NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
547960 | 2lx0 | 18655 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 HT1 LYS 1 22.169 17.889 0.765 2 H2 LYS 1 HT2 LYS 1 22.008 16.202 0.656 3 H3 LYS 1 HT3 LYS 1 21.091 17.211 -0.357 4 HA LYS 1 HA LYS 1 23.132 17.999 -1.422 5 HB2 LYS 1 HB2 LYS 1 24.515 17.441 0.661 6 HB3 LYS 1 HB1 LYS 1 24.494 15.769 0.098 7 HG2 LYS 1 HG2 LYS 1 26.399 16.435 -0.990 8 HG3 LYS 1 HG1 LYS 1 25.233 16.989 -2.191 9 HD2 LYS 1 HD2 LYS 1 25.187 19.196 -0.849 10 HD3 LYS 1 HD1 LYS 1 26.665 18.608 -0.086 11 HE2 LYS 1 HE2 LYS 1 27.339 18.149 -2.636 12 HE3 LYS 1 HE1 LYS 1 26.200 19.468 -2.905 13 HZ1 LYS 1 HZ1 LYS 1 28.194 19.770 -0.783 14 HZ2 LYS 1 HZ2 LYS 1 27.496 20.947 -1.791 15 HZ3 LYS 1 HZ3 LYS 1 28.714 19.926 -2.390 16 H LYS 2 HN LYS 2 23.085 14.551 -0.486 17 HA LYS 2 HA LYS 2 22.062 13.877 -3.161 18 HB2 LYS 2 HB2 LYS 2 23.780 11.910 -3.044 19 HB3 LYS 2 HB1 LYS 2 24.321 13.497 -3.595 20 HG2 LYS 2 HG2 LYS 2 25.539 13.898 -1.689 21 HG3 LYS 2 HG1 LYS 2 24.429 12.989 -0.663 22 HD2 LYS 2 HD2 LYS 2 25.368 10.915 -1.273 23 HD3 LYS 2 HD1 LYS 2 26.139 11.586 -2.711 24 HE2 LYS 2 HE2 LYS 2 26.884 12.498 0.071 25 HE3 LYS 2 HE1 LYS 2 27.670 11.122 -0.702 26 HZ1 LYS 2 HZ1 LYS 2 27.883 13.953 -1.296 27 HZ2 LYS 2 HZ2 LYS 2 27.792 12.930 -2.650 28 HZ3 LYS 2 HZ3 LYS 2 29.021 12.711 -1.498 29 H HIS 3 HN HIS 3 22.766 12.892 0.150 30 HA HIS 3 HA HIS 3 20.296 11.449 0.349 31 HB2 HIS 3 HB2 HIS 3 21.780 9.823 -0.884 32 HB3 HIS 3 HB1 HIS 3 22.822 9.797 0.539 33 HD2 HIS 3 HD2 HIS 3 21.874 6.995 0.766 34 HE1 HIS 3 HE1 HIS 3 18.143 8.164 2.358 35 HE2 HIS 3 HE2 HIS 3 19.706 6.198 1.982 36 H THR 4 HN THR 4 22.170 9.716 2.291 37 HA THR 4 HA THR 4 22.103 11.698 4.491 38 HB THR 4 HB THR 4 20.399 10.051 4.903 39 HG1 THR 4 HG1 THR 4 21.978 10.613 6.597 40 HG21 THR 4 HG21 THR 4 21.874 7.630 5.134 41 HG22 THR 4 HG22 THR 4 22.244 8.319 3.553 42 HG23 THR 4 HG23 THR 4 20.571 8.001 4.007 43 H ILE 5 HN ILE 5 23.267 8.778 5.527 44 HA ILE 5 HA ILE 5 26.065 9.675 5.220 45 HB ILE 5 HB ILE 5 26.383 8.107 7.247 46 HG12 ILE 5 HG12 ILE 5 23.603 8.720 8.026 47 HG13 ILE 5 HG11 ILE 5 23.752 7.503 6.758 48 HG21 ILE 5 HG21 ILE 5 26.645 10.449 7.557 49 HG22 ILE 5 HG22 ILE 5 25.475 9.956 8.780 50 HG23 ILE 5 HG23 ILE 5 24.925 10.753 7.305 51 HD11 ILE 5 HD11 ILE 5 25.089 6.094 8.109 52 HD12 ILE 5 HD12 ILE 5 23.817 6.663 9.190 53 HD13 ILE 5 HD13 ILE 5 25.425 7.383 9.263 54 H TRP 6 HN TRP 6 23.798 7.162 4.571 55 HA TRP 6 HA TRP 6 25.265 4.864 4.382 56 HB2 TRP 6 HB2 TRP 6 22.883 5.912 3.145 57 HB3 TRP 6 HB1 TRP 6 23.810 4.982 1.969 58 HD1 TRP 6 HD1 TRP 6 22.629 2.716 1.925 59 HE1 TRP 6 HE1 TRP 6 22.019 0.935 3.679 60 HE3 TRP 6 HE3 TRP 6 23.840 5.241 6.185 61 HZ2 TRP 6 HZ2 TRP 6 22.042 0.624 6.516 62 HZ3 TRP 6 HZ3 TRP 6 23.537 4.181 8.405 63 HH2 TRP 6 HH2 TRP 6 22.639 1.875 8.577 64 H GLU 7 HN GLU 7 24.981 7.266 1.751 65 HA GLU 7 HA GLU 7 26.866 6.085 0.045 66 HB2 GLU 7 HB2 GLU 7 25.406 8.583 0.221 67 HB3 GLU 7 HB1 GLU 7 27.035 8.831 -0.409 68 HG2 GLU 7 HG2 GLU 7 25.139 6.708 -1.442 69 HG3 GLU 7 HG1 GLU 7 25.314 8.300 -2.176 70 H VAL 8 HN VAL 8 27.393 7.358 3.067 71 HA VAL 8 HA VAL 8 30.158 8.175 2.441 72 HB VAL 8 HB VAL 8 28.764 8.620 5.075 73 HG11 VAL 8 HG11 VAL 8 30.550 9.985 5.555 74 HG12 VAL 8 HG12 VAL 8 30.779 10.454 3.870 75 HG13 VAL 8 HG13 VAL 8 31.359 8.887 4.436 76 HG21 VAL 8 HG21 VAL 8 28.183 10.872 4.234 77 HG22 VAL 8 HG22 VAL 8 27.378 9.622 3.286 78 HG23 VAL 8 HG23 VAL 8 28.803 10.438 2.642 79 H ILE 9 HN ILE 9 28.204 6.022 4.443 80 HA ILE 9 HA ILE 9 30.666 4.619 5.257 81 HB ILE 9 HB ILE 9 29.761 5.272 7.265 82 HG12 ILE 9 HG12 ILE 9 29.570 2.601 6.812 83 HG13 ILE 9 HG11 ILE 9 29.195 3.355 8.348 84 HG21 ILE 9 HG21 ILE 9 27.890 6.483 6.522 85 HG22 ILE 9 HG22 ILE 9 27.260 5.319 7.679 86 HG23 ILE 9 HG23 ILE 9 27.066 5.037 5.945 87 HD11 ILE 9 HD11 ILE 9 27.439 1.734 7.420 88 HD12 ILE 9 HD12 ILE 9 27.070 2.977 6.232 89 HD13 ILE 9 HD13 ILE 9 26.858 3.312 7.947 90 H ALA 10 HN ALA 10 27.291 4.181 4.248 91 HA ALA 10 HA ALA 10 27.533 1.352 3.885 92 HB1 ALA 10 HB1 ALA 10 25.362 2.536 4.215 93 HB2 ALA 10 HB2 ALA 10 25.377 1.499 2.789 94 HB3 ALA 10 HB3 ALA 10 25.546 3.246 2.611 95 H GLY 11 HN GLY 11 27.016 3.889 1.415 96 HA2 GLY 11 HA2 GLY 11 27.712 2.384 -0.807 97 HA3 GLY 11 HA1 GLY 11 27.922 4.132 -0.696 98 H LEU 12 HN LEU 12 29.617 3.352 1.804 99 HA LEU 12 HA LEU 12 32.121 3.062 0.299 100 HB2 LEU 12 HB2 LEU 12 31.709 5.053 1.856 101 HB3 LEU 12 HB1 LEU 12 31.863 3.901 3.183 102 HG LEU 12 HG LEU 12 34.056 3.216 1.792 103 HD11 LEU 12 HD11 LEU 12 33.592 4.921 0.038 104 HD12 LEU 12 HD12 LEU 12 35.123 5.216 0.861 105 HD13 LEU 12 HD13 LEU 12 33.706 6.184 1.264 106 HD21 LEU 12 HD21 LEU 12 34.007 3.898 4.154 107 HD22 LEU 12 HD22 LEU 12 33.824 5.586 3.678 108 HD23 LEU 12 HD23 LEU 12 35.319 4.724 3.314 109 H VAL 13 HN VAL 13 30.094 1.566 2.705 110 HA VAL 13 HA VAL 13 32.131 -0.551 3.092 111 HB VAL 13 HB VAL 13 29.861 0.235 4.935 112 HG11 VAL 13 HG11 VAL 13 31.997 -1.906 5.064 113 HG12 VAL 13 HG12 VAL 13 30.248 -2.123 5.132 114 HG13 VAL 13 HG13 VAL 13 31.095 -1.365 6.480 115 HG21 VAL 13 HG21 VAL 13 32.065 1.680 4.658 116 HG22 VAL 13 HG22 VAL 13 32.785 0.378 5.604 117 HG23 VAL 13 HG23 VAL 13 31.445 1.311 6.267 118 H ALA 14 HN ALA 14 28.589 -0.070 3.032 119 HA ALA 14 HA ALA 14 27.722 -2.649 2.798 120 HB1 ALA 14 HB1 ALA 14 26.728 -0.277 1.194 121 HB2 ALA 14 HB2 ALA 14 26.191 -0.733 2.811 122 HB3 ALA 14 HB3 ALA 14 25.846 -1.784 1.439 123 H LEU 15 HN LEU 15 28.943 -0.604 0.150 124 HA LEU 15 HA LEU 15 28.661 -2.576 -1.867 125 HB2 LEU 15 HB2 LEU 15 28.960 -0.149 -2.335 126 HB3 LEU 15 HB1 LEU 15 30.618 -0.262 -1.746 127 HG LEU 15 HG LEU 15 31.114 -1.947 -3.503 128 HD11 LEU 15 HD11 LEU 15 28.188 -1.590 -4.003 129 HD12 LEU 15 HD12 LEU 15 29.173 -3.048 -4.106 130 HD13 LEU 15 HD13 LEU 15 29.234 -1.849 -5.399 131 HD21 LEU 15 HD21 LEU 15 31.640 0.329 -4.050 132 HD22 LEU 15 HD22 LEU 15 29.949 0.708 -4.376 133 HD23 LEU 15 HD23 LEU 15 30.842 -0.352 -5.468 134 H LEU 16 HN LEU 16 31.122 -1.866 0.507 135 HA LEU 16 HA LEU 16 32.959 -3.835 -0.635 136 HB2 LEU 16 HB2 LEU 16 33.355 -2.246 1.896 137 HB3 LEU 16 HB1 LEU 16 34.583 -2.992 0.872 138 HG LEU 16 HG LEU 16 32.809 -0.643 0.150 139 HD11 LEU 16 HD11 LEU 16 35.826 -0.768 0.227 140 HD12 LEU 16 HD12 LEU 16 34.883 -0.349 1.658 141 HD13 LEU 16 HD13 LEU 16 34.791 0.660 0.214 142 HD21 LEU 16 HD21 LEU 16 33.037 -1.836 -1.869 143 HD22 LEU 16 HD22 LEU 16 34.669 -2.375 -1.473 144 HD23 LEU 16 HD23 LEU 16 34.380 -0.695 -1.923 145 H THR 17 HN THR 17 30.279 -3.987 1.192 146 HA THR 17 HA THR 17 31.289 -6.261 2.788 147 HB THR 17 HB THR 17 29.407 -4.059 3.514 148 HG1 THR 17 HG1 THR 17 30.631 -4.811 5.569 149 HG21 THR 17 HG21 THR 17 29.266 -6.930 4.419 150 HG22 THR 17 HG22 THR 17 27.948 -5.867 3.926 151 HG23 THR 17 HG23 THR 17 28.751 -5.615 5.475 152 H PHE 18 HN PHE 18 28.204 -4.913 1.601 153 HA PHE 18 HA PHE 18 26.617 -7.109 1.576 154 HB2 PHE 18 HB2 PHE 18 26.231 -4.693 0.621 155 HB3 PHE 18 HB1 PHE 18 26.675 -5.440 -0.914 156 HD1 PHE 18 HD2 PHE 18 24.381 -5.801 2.012 157 HD2 PHE 18 HD1 PHE 18 25.117 -6.754 -2.111 158 HE1 PHE 18 HE2 PHE 18 22.108 -6.776 1.832 159 HE2 PHE 18 HE1 PHE 18 22.844 -7.729 -2.292 160 HZ PHE 18 HZ PHE 18 21.340 -7.740 -0.320 161 H LEU 19 HN LEU 19 28.960 -6.280 -0.981 162 HA LEU 19 HA LEU 19 28.467 -8.641 -2.515 163 HB2 LEU 19 HB2 LEU 19 30.596 -6.520 -2.511 164 HB3 LEU 19 HB1 LEU 19 30.787 -7.961 -3.505 165 HG LEU 19 HG LEU 19 29.695 -6.010 -4.689 166 HD11 LEU 19 HD11 LEU 19 29.039 -8.742 -4.776 167 HD12 LEU 19 HD12 LEU 19 28.681 -7.533 -6.007 168 HD13 LEU 19 HD13 LEU 19 27.489 -7.903 -4.761 169 HD21 LEU 19 HD21 LEU 19 27.512 -5.302 -4.077 170 HD22 LEU 19 HD22 LEU 19 28.404 -5.375 -2.557 171 HD23 LEU 19 HD23 LEU 19 27.287 -6.670 -2.988 172 H ALA 20 HN ALA 20 31.284 -7.684 -0.530 173 HA ALA 20 HA ALA 20 32.792 -9.941 -0.634 174 HB1 ALA 20 HB1 ALA 20 33.314 -9.462 1.849 175 HB2 ALA 20 HB2 ALA 20 32.199 -8.107 1.674 176 HB3 ALA 20 HB3 ALA 20 33.649 -8.189 0.675 177 H PHE 21 HN PHE 21 30.123 -9.435 1.689 178 HA PHE 21 HA PHE 21 30.227 -12.181 2.572 179 HB2 PHE 21 HB2 PHE 21 28.342 -9.892 3.150 180 HB3 PHE 21 HB1 PHE 21 28.146 -11.502 3.843 181 HD1 PHE 21 HD2 PHE 21 30.769 -8.861 3.375 182 HD2 PHE 21 HD1 PHE 21 29.212 -11.995 5.866 183 HE1 PHE 21 HE2 PHE 21 32.453 -8.317 5.112 184 HE2 PHE 21 HE1 PHE 21 30.895 -11.451 7.602 185 HZ PHE 21 HZ PHE 21 32.515 -9.612 7.225 186 H GLY 22 HN GLY 22 28.081 -10.208 0.550 187 HA2 GLY 22 HA2 GLY 22 26.013 -12.012 0.118 188 HA3 GLY 22 HA1 GLY 22 26.546 -10.815 -1.058 189 H PHE 23 HN PHE 23 29.043 -11.661 -1.720 190 HA PHE 23 HA PHE 23 28.629 -13.582 -3.660 191 HB2 PHE 23 HB2 PHE 23 30.916 -12.212 -2.516 192 HB3 PHE 23 HB1 PHE 23 31.318 -13.872 -2.954 193 HD1 PHE 23 HD2 PHE 23 30.186 -14.645 -5.285 194 HD2 PHE 23 HD1 PHE 23 31.164 -10.606 -4.193 195 HE1 PHE 23 HE2 PHE 23 30.244 -14.011 -7.682 196 HE2 PHE 23 HE1 PHE 23 31.222 -9.973 -6.588 197 HZ PHE 23 HZ PHE 23 30.761 -11.675 -8.333 198 H TRP 24 HN TRP 24 28.964 -13.993 -0.290 199 HA TRP 24 HA TRP 24 29.512 -16.869 -0.593 200 HB2 TRP 24 HB2 TRP 24 31.061 -15.865 0.926 201 HB3 TRP 24 HB1 TRP 24 29.768 -15.013 1.772 202 HD1 TRP 24 HD1 TRP 24 30.420 -18.705 0.825 203 HE1 TRP 24 HE1 TRP 24 29.858 -20.172 2.872 204 HE3 TRP 24 HE3 TRP 24 28.992 -15.091 4.115 205 HZ2 TRP 24 HZ2 TRP 24 28.923 -19.845 5.553 206 HZ3 TRP 24 HZ3 TRP 24 28.268 -15.688 6.413 207 HH2 TRP 24 HH2 TRP 24 28.232 -18.060 7.134 208 H LEU 25 HN LEU 25 27.766 -14.968 1.831 209 HA LEU 25 HA LEU 25 25.987 -16.512 2.924 210 HB2 LEU 25 HB2 LEU 25 25.678 -13.802 1.792 211 HB3 LEU 25 HB1 LEU 25 24.180 -14.629 2.222 212 HG LEU 25 HG LEU 25 26.527 -14.566 4.114 213 HD11 LEU 25 HD11 LEU 25 25.543 -12.591 5.182 214 HD12 LEU 25 HD12 LEU 25 24.270 -12.543 3.962 215 HD13 LEU 25 HD13 LEU 25 25.943 -12.225 3.503 216 HD21 LEU 25 HD21 LEU 25 23.762 -14.463 5.118 217 HD22 LEU 25 HD22 LEU 25 25.085 -15.532 5.582 218 HD23 LEU 25 HD23 LEU 25 24.108 -15.905 4.163 219 H PHE 26 HN PHE 26 25.223 -15.257 -0.338 220 HA PHE 26 HA PHE 26 23.030 -17.091 -0.651 221 HB2 PHE 26 HB2 PHE 26 24.384 -15.637 -2.910 222 HB3 PHE 26 HB1 PHE 26 22.683 -16.065 -2.735 223 HD1 PHE 26 HD1 PHE 26 21.755 -15.166 -0.267 224 HD2 PHE 26 HD2 PHE 26 24.770 -13.343 -2.726 225 HE1 PHE 26 HE1 PHE 26 21.302 -12.976 0.801 226 HE2 PHE 26 HE2 PHE 26 24.316 -11.154 -1.658 227 HZ PHE 26 HZ PHE 26 22.586 -10.972 0.107 228 H LYS 27 HN LYS 27 26.030 -16.736 -2.547 229 HA LYS 27 HA LYS 27 25.907 -19.063 -3.989 230 HB2 LYS 27 HB2 LYS 27 28.493 -18.035 -2.820 231 HB3 LYS 27 HB1 LYS 27 28.248 -18.861 -4.358 232 HG2 LYS 27 HG2 LYS 27 27.303 -16.077 -3.614 233 HG3 LYS 27 HG1 LYS 27 28.510 -16.502 -4.826 234 HD2 LYS 27 HD2 LYS 27 26.592 -17.898 -5.905 235 HD3 LYS 27 HD1 LYS 27 25.528 -16.896 -4.915 236 HE2 LYS 27 HE2 LYS 27 27.136 -14.978 -5.962 237 HE3 LYS 27 HE1 LYS 27 27.166 -16.155 -7.276 238 HZ1 LYS 27 HZ1 LYS 27 25.188 -14.339 -6.779 239 HZ2 LYS 27 HZ2 LYS 27 24.544 -15.803 -6.204 240 HZ3 LYS 27 HZ3 LYS 27 25.079 -15.680 -7.813 241 H TYR 28 HN TYR 28 26.111 -18.878 -0.614 242 HA TYR 28 HA TYR 28 27.158 -21.647 -0.451 243 HB2 TYR 28 HB2 TYR 28 28.570 -20.782 1.066 244 HB3 TYR 28 HB1 TYR 28 27.673 -19.271 1.160 245 HD1 TYR 28 HD1 TYR 28 27.346 -22.868 2.162 246 HD2 TYR 28 HD2 TYR 28 26.541 -18.765 3.136 247 HE1 TYR 28 HE1 TYR 28 26.387 -23.573 4.340 248 HE2 TYR 28 HE2 TYR 28 25.582 -19.465 5.311 249 HH TYR 28 HH TYR 28 25.697 -22.846 6.364 250 H LEU 29 HN LEU 29 24.814 -19.429 1.083 251 HA LEU 29 HA LEU 29 23.347 -21.678 2.194 252 HB2 LEU 29 HB2 LEU 29 23.716 -19.171 3.102 253 HB3 LEU 29 HB1 LEU 29 22.185 -18.949 2.256 254 HG LEU 29 HG LEU 29 22.758 -21.049 4.368 255 HD11 LEU 29 HD11 LEU 29 20.958 -19.724 5.591 256 HD12 LEU 29 HD12 LEU 29 21.174 -18.470 4.369 257 HD13 LEU 29 HD13 LEU 29 22.515 -18.913 5.424 258 HD21 LEU 29 HD21 LEU 29 21.164 -22.054 2.977 259 HD22 LEU 29 HD22 LEU 29 20.433 -20.511 2.536 260 HD23 LEU 29 HD23 LEU 29 20.144 -21.199 4.134 261 H GLN 30 HN GLN 30 22.855 -19.188 -0.280 262 HA GLN 30 HA GLN 30 20.226 -20.104 -0.979 263 HB2 GLN 30 HB2 GLN 30 20.897 -17.785 -1.356 264 HB3 GLN 30 HB1 GLN 30 22.159 -18.314 -2.463 265 HG2 GLN 30 HG2 GLN 30 20.701 -18.710 -4.157 266 HG3 GLN 30 HG1 GLN 30 19.462 -19.346 -3.076 267 HE21 GLN 30 HE21 GLN 30 20.892 -16.183 -2.433 268 HE22 GLN 30 HE22 GLN 30 19.522 -15.278 -2.866 269 H LYS 31 HN LYS 31 23.365 -21.210 -1.635 270 HA LYS 31 HA LYS 31 22.394 -22.795 -3.941 271 HB2 LYS 31 HB2 LYS 31 25.004 -21.434 -3.422 272 HB3 LYS 31 HB1 LYS 31 25.017 -22.954 -4.314 273 HG2 LYS 31 HG2 LYS 31 24.837 -21.033 -5.850 274 HG3 LYS 31 HG1 LYS 31 23.389 -22.038 -5.921 275 HD2 LYS 31 HD2 LYS 31 22.066 -20.440 -4.949 276 HD3 LYS 31 HD1 LYS 31 23.369 -19.832 -3.927 277 HE2 LYS 31 HE2 LYS 31 24.396 -18.726 -5.868 278 HE3 LYS 31 HE1 LYS 31 23.123 -19.357 -6.913 279 HZ1 LYS 31 HZ1 LYS 31 22.630 -17.617 -4.560 280 HZ2 LYS 31 HZ2 LYS 31 21.497 -18.107 -5.728 281 HZ3 LYS 31 HZ3 LYS 31 22.754 -17.045 -6.152 282 H LYS 32 HN LYS 32 21.606 -24.147 -2.044 283 HA LYS 32 HA LYS 32 23.562 -26.253 -1.593 284 HB2 LYS 32 HB2 LYS 32 23.181 -26.295 0.850 285 HB3 LYS 32 HB1 LYS 32 23.954 -24.797 0.333 286 HG2 LYS 32 HG2 LYS 32 22.300 -23.754 1.473 287 HG3 LYS 32 HG1 LYS 32 21.270 -24.190 0.108 288 HD2 LYS 32 HD2 LYS 32 20.677 -26.308 1.238 289 HD3 LYS 32 HD1 LYS 32 21.686 -25.852 2.611 290 HE2 LYS 32 HE2 LYS 32 20.067 -24.535 3.460 291 HE3 LYS 32 HE1 LYS 32 19.849 -23.713 1.915 292 HZ1 LYS 32 HZ1 LYS 32 18.607 -26.254 2.802 293 HZ2 LYS 32 HZ2 LYS 32 18.563 -25.712 1.192 294 HZ3 LYS 32 HZ3 LYS 32 17.826 -24.797 2.420 Start of MODEL 2 1 H1 LYS 1 HT1 LYS 1 20.768 18.017 -3.636 2 H2 LYS 1 HT2 LYS 1 22.404 18.467 -3.586 3 H3 LYS 1 HT3 LYS 1 21.271 19.262 -2.602 4 HA LYS 1 HA LYS 1 22.567 17.712 -1.295 5 HB2 LYS 1 HB2 LYS 1 20.590 16.292 -0.503 6 HB3 LYS 1 HB1 LYS 1 20.336 18.039 -0.504 7 HG2 LYS 1 HG2 LYS 1 19.179 17.900 -2.655 8 HG3 LYS 1 HG1 LYS 1 19.493 16.166 -2.737 9 HD2 LYS 1 HD2 LYS 1 18.129 17.195 -0.290 10 HD3 LYS 1 HD1 LYS 1 17.186 17.132 -1.781 11 HE2 LYS 1 HE2 LYS 1 17.417 14.803 -1.981 12 HE3 LYS 1 HE1 LYS 1 18.821 14.758 -0.913 13 HZ1 LYS 1 HZ1 LYS 1 16.040 15.395 -0.091 14 HZ2 LYS 1 HZ2 LYS 1 17.391 15.359 0.937 15 HZ3 LYS 1 HZ3 LYS 1 16.845 13.931 0.197 16 H LYS 2 HN LYS 2 22.036 15.110 -0.788 17 HA LYS 2 HA LYS 2 22.446 13.602 -3.272 18 HB2 LYS 2 HB2 LYS 2 24.702 13.924 -2.768 19 HB3 LYS 2 HB1 LYS 2 24.424 13.866 -1.027 20 HG2 LYS 2 HG2 LYS 2 24.195 11.528 -1.013 21 HG3 LYS 2 HG1 LYS 2 23.857 11.458 -2.742 22 HD2 LYS 2 HD2 LYS 2 26.146 10.664 -2.237 23 HD3 LYS 2 HD1 LYS 2 26.174 12.116 -3.237 24 HE2 LYS 2 HE2 LYS 2 26.253 12.401 -0.250 25 HE3 LYS 2 HE1 LYS 2 27.727 11.954 -1.111 26 HZ1 LYS 2 HZ1 LYS 2 26.499 14.484 -0.909 27 HZ2 LYS 2 HZ2 LYS 2 26.547 14.017 -2.543 28 HZ3 LYS 2 HZ3 LYS 2 27.979 14.077 -1.630 29 H HIS 3 HN HIS 3 22.777 12.999 0.231 30 HA HIS 3 HA HIS 3 20.352 11.484 0.390 31 HB2 HIS 3 HB2 HIS 3 21.891 9.916 -0.857 32 HB3 HIS 3 HB1 HIS 3 22.913 9.889 0.580 33 HD2 HIS 3 HD2 HIS 3 22.037 7.067 0.767 34 HE1 HIS 3 HE1 HIS 3 18.241 8.115 2.288 35 HE2 HIS 3 HE2 HIS 3 19.866 6.198 1.929 36 H THR 4 HN THR 4 22.243 9.765 2.321 37 HA THR 4 HA THR 4 22.154 11.725 4.542 38 HB THR 4 HB THR 4 20.428 10.093 4.924 39 HG1 THR 4 HG1 THR 4 22.049 10.620 6.624 40 HG21 THR 4 HG21 THR 4 22.262 8.351 3.577 41 HG22 THR 4 HG22 THR 4 20.586 8.042 4.025 42 HG23 THR 4 HG23 THR 4 21.883 7.655 5.152 43 H ILE 5 HN ILE 5 23.277 8.788 5.576 44 HA ILE 5 HA ILE 5 26.086 9.660 5.298 45 HB ILE 5 HB ILE 5 26.376 8.076 7.312 46 HG12 ILE 5 HG12 ILE 5 23.598 8.685 8.085 47 HG13 ILE 5 HG11 ILE 5 23.740 7.495 6.792 48 HG21 ILE 5 HG21 ILE 5 26.647 10.402 7.671 49 HG22 ILE 5 HG22 ILE 5 25.429 9.917 8.851 50 HG23 ILE 5 HG23 ILE 5 24.942 10.731 7.364 51 HD11 ILE 5 HD11 ILE 5 25.398 7.313 9.304 52 HD12 ILE 5 HD12 ILE 5 25.077 6.053 8.114 53 HD13 ILE 5 HD13 ILE 5 23.792 6.592 9.196 54 H TRP 6 HN TRP 6 23.805 7.166 4.617 55 HA TRP 6 HA TRP 6 25.265 4.864 4.406 56 HB2 TRP 6 HB2 TRP 6 22.887 5.935 3.175 57 HB3 TRP 6 HB1 TRP 6 23.811 5.002 1.997 58 HD1 TRP 6 HD1 TRP 6 22.602 2.751 1.941 59 HE1 TRP 6 HE1 TRP 6 21.981 0.964 3.686 60 HE3 TRP 6 HE3 TRP 6 23.849 5.236 6.214 61 HZ2 TRP 6 HZ2 TRP 6 22.010 0.635 6.521 62 HZ3 TRP 6 HZ3 TRP 6 23.543 4.166 8.428 63 HH2 TRP 6 HH2 TRP 6 22.624 1.868 8.588 64 H GLU 7 HN GLU 7 24.973 7.288 1.799 65 HA GLU 7 HA GLU 7 26.857 6.132 0.075 66 HB2 GLU 7 HB2 GLU 7 25.363 8.592 0.261 67 HB3 GLU 7 HB1 GLU 7 27.004 8.909 -0.301 68 HG2 GLU 7 HG2 GLU 7 25.196 6.777 -1.468 69 HG3 GLU 7 HG1 GLU 7 25.385 8.389 -2.152 70 H VAL 8 HN VAL 8 27.398 7.350 3.113 71 HA VAL 8 HA VAL 8 30.161 8.178 2.487 72 HB VAL 8 HB VAL 8 28.776 8.607 5.127 73 HG11 VAL 8 HG11 VAL 8 30.477 10.234 5.468 74 HG12 VAL 8 HG12 VAL 8 30.929 10.228 3.763 75 HG13 VAL 8 HG13 VAL 8 31.307 8.837 4.780 76 HG21 VAL 8 HG21 VAL 8 28.804 10.439 2.704 77 HG22 VAL 8 HG22 VAL 8 28.191 10.865 4.302 78 HG23 VAL 8 HG23 VAL 8 27.381 9.621 3.350 79 H ILE 9 HN ILE 9 28.203 6.023 4.488 80 HA ILE 9 HA ILE 9 30.663 4.604 5.282 81 HB ILE 9 HB ILE 9 29.764 5.245 7.297 82 HG12 ILE 9 HG12 ILE 9 29.566 2.580 6.825 83 HG13 ILE 9 HG11 ILE 9 29.195 3.323 8.367 84 HG21 ILE 9 HG21 ILE 9 27.262 5.295 7.715 85 HG22 ILE 9 HG22 ILE 9 27.067 5.028 5.981 86 HG23 ILE 9 HG23 ILE 9 27.893 6.469 6.568 87 HD11 ILE 9 HD11 ILE 9 26.857 3.288 7.969 88 HD12 ILE 9 HD12 ILE 9 27.433 1.714 7.428 89 HD13 ILE 9 HD13 ILE 9 27.067 2.966 6.251 90 H ALA 10 HN ALA 10 27.284 4.185 4.277 91 HA ALA 10 HA ALA 10 27.520 1.357 3.892 92 HB1 ALA 10 HB1 ALA 10 25.361 1.519 2.799 93 HB2 ALA 10 HB2 ALA 10 25.530 3.267 2.647 94 HB3 ALA 10 HB3 ALA 10 25.350 2.534 4.240 95 H GLY 11 HN GLY 11 27.003 3.917 1.446 96 HA2 GLY 11 HA2 GLY 11 27.689 2.426 -0.791 97 HA3 GLY 11 HA1 GLY 11 27.903 4.174 -0.667 98 H LEU 12 HN LEU 12 29.601 3.366 1.824 99 HA LEU 12 HA LEU 12 32.103 3.090 0.312 100 HB2 LEU 12 HB2 LEU 12 31.708 5.062 1.887 101 HB3 LEU 12 HB1 LEU 12 31.833 3.898 3.206 102 HG LEU 12 HG LEU 12 34.030 3.223 1.757 103 HD11 LEU 12 HD11 LEU 12 33.716 6.229 1.485 104 HD12 LEU 12 HD12 LEU 12 33.625 5.076 0.155 105 HD13 LEU 12 HD13 LEU 12 35.139 5.292 1.032 106 HD21 LEU 12 HD21 LEU 12 33.982 3.684 4.166 107 HD22 LEU 12 HD22 LEU 12 33.808 5.411 3.851 108 HD23 LEU 12 HD23 LEU 12 35.300 4.581 3.416 109 H VAL 13 HN VAL 13 30.077 1.568 2.704 110 HA VAL 13 HA VAL 13 32.114 -0.552 3.073 111 HB VAL 13 HB VAL 13 29.824 0.216 4.898 112 HG11 VAL 13 HG11 VAL 13 30.148 -2.129 5.117 113 HG12 VAL 13 HG12 VAL 13 31.085 -1.417 6.430 114 HG13 VAL 13 HG13 VAL 13 31.899 -1.980 4.972 115 HG21 VAL 13 HG21 VAL 13 31.407 1.245 6.272 116 HG22 VAL 13 HG22 VAL 13 32.040 1.643 4.675 117 HG23 VAL 13 HG23 VAL 13 32.744 0.316 5.598 118 H ALA 14 HN ALA 14 28.572 -0.089 2.977 119 HA ALA 14 HA ALA 14 27.725 -2.670 2.698 120 HB1 ALA 14 HB1 ALA 14 26.757 -0.180 1.284 121 HB2 ALA 14 HB2 ALA 14 26.086 -0.934 2.730 122 HB3 ALA 14 HB3 ALA 14 25.924 -1.730 1.164 123 H LEU 15 HN LEU 15 28.900 -0.568 0.067 124 HA LEU 15 HA LEU 15 28.669 -2.519 -1.968 125 HB2 LEU 15 HB2 LEU 15 28.948 -0.087 -2.406 126 HB3 LEU 15 HB1 LEU 15 30.601 -0.186 -1.802 127 HG LEU 15 HG LEU 15 31.139 -1.839 -3.573 128 HD11 LEU 15 HD11 LEU 15 28.211 -1.525 -4.094 129 HD12 LEU 15 HD12 LEU 15 29.221 -2.966 -4.202 130 HD13 LEU 15 HD13 LEU 15 29.272 -1.755 -5.483 131 HD21 LEU 15 HD21 LEU 15 29.954 0.819 -4.397 132 HD22 LEU 15 HD22 LEU 15 30.814 -0.219 -5.532 133 HD23 LEU 15 HD23 LEU 15 31.651 0.427 -4.121 134 H LEU 16 HN LEU 16 31.087 -1.841 0.450 135 HA LEU 16 HA LEU 16 32.949 -3.784 -0.709 136 HB2 LEU 16 HB2 LEU 16 33.349 -2.191 1.818 137 HB3 LEU 16 HB1 LEU 16 34.575 -2.925 0.782 138 HG LEU 16 HG LEU 16 32.777 -0.587 0.084 139 HD11 LEU 16 HD11 LEU 16 34.885 -0.305 1.561 140 HD12 LEU 16 HD12 LEU 16 34.741 0.731 0.141 141 HD13 LEU 16 HD13 LEU 16 35.794 -0.684 0.097 142 HD21 LEU 16 HD21 LEU 16 34.626 -2.303 -1.568 143 HD22 LEU 16 HD22 LEU 16 34.311 -0.626 -2.014 144 HD23 LEU 16 HD23 LEU 16 32.982 -1.782 -1.938 145 H THR 17 HN THR 17 30.265 -4.004 1.066 146 HA THR 17 HA THR 17 31.299 -6.261 2.670 147 HB THR 17 HB THR 17 29.427 -4.059 3.434 148 HG1 THR 17 HG1 THR 17 31.817 -4.814 4.082 149 HG21 THR 17 HG21 THR 17 28.790 -5.628 5.391 150 HG22 THR 17 HG22 THR 17 29.292 -6.936 4.322 151 HG23 THR 17 HG23 THR 17 27.970 -5.869 3.850 152 H PHE 18 HN PHE 18 28.222 -4.892 1.488 153 HA PHE 18 HA PHE 18 26.598 -7.056 1.476 154 HB2 PHE 18 HB2 PHE 18 26.279 -4.646 0.468 155 HB3 PHE 18 HB1 PHE 18 26.709 -5.443 -1.046 156 HD1 PHE 18 HD2 PHE 18 24.448 -5.802 1.918 157 HD2 PHE 18 HD1 PHE 18 25.069 -6.613 -2.255 158 HE1 PHE 18 HE2 PHE 18 22.150 -6.721 1.753 159 HE2 PHE 18 HE1 PHE 18 22.773 -7.531 -2.419 160 HZ PHE 18 HZ PHE 18 21.312 -7.587 -0.415 161 H LEU 19 HN LEU 19 28.967 -6.309 -1.082 162 HA LEU 19 HA LEU 19 28.460 -8.723 -2.543 163 HB2 LEU 19 HB2 LEU 19 30.578 -6.586 -2.640 164 HB3 LEU 19 HB1 LEU 19 30.749 -8.054 -3.598 165 HG LEU 19 HG LEU 19 29.630 -6.139 -4.812 166 HD11 LEU 19 HD11 LEU 19 28.573 -7.690 -6.064 167 HD12 LEU 19 HD12 LEU 19 27.426 -8.039 -4.773 168 HD13 LEU 19 HD13 LEU 19 28.981 -8.867 -4.819 169 HD21 LEU 19 HD21 LEU 19 28.390 -5.416 -2.696 170 HD22 LEU 19 HD22 LEU 19 27.278 -6.747 -3.014 171 HD23 LEU 19 HD23 LEU 19 27.440 -5.436 -4.182 172 H ALA 20 HN ALA 20 31.162 -7.654 -0.467 173 HA ALA 20 HA ALA 20 32.786 -9.848 -0.540 174 HB1 ALA 20 HB1 ALA 20 32.468 -7.627 1.163 175 HB2 ALA 20 HB2 ALA 20 33.829 -8.748 1.108 176 HB3 ALA 20 HB3 ALA 20 32.487 -9.044 2.212 177 H PHE 21 HN PHE 21 30.052 -9.431 1.726 178 HA PHE 21 HA PHE 21 30.218 -12.190 2.574 179 HB2 PHE 21 HB2 PHE 21 28.276 -9.960 3.192 180 HB3 PHE 21 HB1 PHE 21 28.139 -11.581 3.870 181 HD1 PHE 21 HD2 PHE 21 30.546 -8.739 3.496 182 HD2 PHE 21 HD1 PHE 21 29.356 -12.170 5.790 183 HE1 PHE 21 HE2 PHE 21 32.222 -8.161 5.229 184 HE2 PHE 21 HE1 PHE 21 31.033 -11.592 7.524 185 HZ PHE 21 HZ PHE 21 32.466 -9.587 7.242 186 H GLY 22 HN GLY 22 28.124 -10.230 0.509 187 HA2 GLY 22 HA2 GLY 22 26.038 -12.015 0.059 188 HA3 GLY 22 HA1 GLY 22 26.608 -10.836 -1.118 189 H PHE 23 HN PHE 23 29.135 -11.733 -1.674 190 HA PHE 23 HA PHE 23 28.737 -13.673 -3.613 191 HB2 PHE 23 HB2 PHE 23 31.013 -12.306 -2.439 192 HB3 PHE 23 HB1 PHE 23 31.407 -13.974 -2.851 193 HD1 PHE 23 HD1 PHE 23 30.319 -14.763 -5.195 194 HD2 PHE 23 HD2 PHE 23 31.302 -10.719 -4.128 195 HE1 PHE 23 HE1 PHE 23 30.429 -14.155 -7.597 196 HE2 PHE 23 HE2 PHE 23 31.412 -10.112 -6.528 197 HZ PHE 23 HZ PHE 23 30.974 -11.831 -8.264 198 H TRP 24 HN TRP 24 28.973 -14.031 -0.232 199 HA TRP 24 HA TRP 24 29.517 -16.916 -0.471 200 HB2 TRP 24 HB2 TRP 24 31.025 -15.893 1.077 201 HB3 TRP 24 HB1 TRP 24 29.710 -15.021 1.871 202 HD1 TRP 24 HD1 TRP 24 30.389 -18.727 1.002 203 HE1 TRP 24 HE1 TRP 24 29.748 -20.165 3.048 204 HE3 TRP 24 HE3 TRP 24 28.841 -15.067 4.183 205 HZ2 TRP 24 HZ2 TRP 24 28.714 -19.799 5.685 206 HZ3 TRP 24 HZ3 TRP 24 28.030 -15.631 6.461 207 HH2 TRP 24 HH2 TRP 24 27.967 -17.992 7.214 208 H LEU 25 HN LEU 25 27.712 -14.973 1.877 209 HA LEU 25 HA LEU 25 25.893 -16.493 2.940 210 HB2 LEU 25 HB2 LEU 25 25.612 -13.798 1.750 211 HB3 LEU 25 HB1 LEU 25 24.112 -14.621 2.178 212 HG LEU 25 HG LEU 25 26.421 -14.536 4.110 213 HD11 LEU 25 HD11 LEU 25 25.921 -12.200 3.435 214 HD12 LEU 25 HD12 LEU 25 25.449 -12.511 5.105 215 HD13 LEU 25 HD13 LEU 25 24.224 -12.461 3.838 216 HD21 LEU 25 HD21 LEU 25 24.011 -15.847 4.158 217 HD22 LEU 25 HD22 LEU 25 23.607 -14.351 4.999 218 HD23 LEU 25 HD23 LEU 25 24.912 -15.376 5.598 219 H PHE 26 HN PHE 26 25.238 -15.282 -0.362 220 HA PHE 26 HA PHE 26 23.042 -17.104 -0.715 221 HB2 PHE 26 HB2 PHE 26 24.476 -15.691 -2.951 222 HB3 PHE 26 HB1 PHE 26 22.766 -16.105 -2.824 223 HD1 PHE 26 HD2 PHE 26 21.773 -15.165 -0.393 224 HD2 PHE 26 HD1 PHE 26 24.867 -13.397 -2.794 225 HE1 PHE 26 HE2 PHE 26 21.303 -12.955 0.626 226 HE2 PHE 26 HE1 PHE 26 24.395 -11.190 -1.773 227 HZ PHE 26 HZ PHE 26 22.620 -10.969 -0.061 228 H LYS 27 HN LYS 27 26.104 -16.796 -2.520 229 HA LYS 27 HA LYS 27 26.000 -19.146 -3.933 230 HB2 LYS 27 HB2 LYS 27 28.564 -18.112 -2.724 231 HB3 LYS 27 HB1 LYS 27 28.347 -18.957 -4.255 232 HG2 LYS 27 HG2 LYS 27 27.402 -16.159 -3.569 233 HG3 LYS 27 HG1 LYS 27 28.630 -16.607 -4.750 234 HD2 LYS 27 HD2 LYS 27 26.725 -18.006 -5.847 235 HD3 LYS 27 HD1 LYS 27 25.648 -16.983 -4.894 236 HE2 LYS 27 HE2 LYS 27 27.285 -15.089 -5.932 237 HE3 LYS 27 HE1 LYS 27 27.344 -16.285 -7.228 238 HZ1 LYS 27 HZ1 LYS 27 25.410 -14.459 -6.954 239 HZ2 LYS 27 HZ2 LYS 27 24.709 -15.780 -6.146 240 HZ3 LYS 27 HZ3 LYS 27 25.211 -15.937 -7.761 241 H TYR 28 HN TYR 28 26.075 -18.929 -0.568 242 HA TYR 28 HA TYR 28 27.129 -21.691 -0.334 243 HB2 TYR 28 HB2 TYR 28 28.499 -20.807 1.209 244 HB3 TYR 28 HB1 TYR 28 27.605 -19.292 1.252 245 HD1 TYR 28 HD2 TYR 28 27.239 -22.871 2.306 246 HD2 TYR 28 HD1 TYR 28 26.420 -18.749 3.189 247 HE1 TYR 28 HE2 TYR 28 26.221 -23.535 4.469 248 HE2 TYR 28 HE1 TYR 28 25.401 -19.411 5.348 249 HH TYR 28 HH TYR 28 24.761 -22.742 6.132 250 H LEU 29 HN LEU 29 24.754 -19.444 1.102 251 HA LEU 29 HA LEU 29 23.240 -21.669 2.200 252 HB2 LEU 29 HB2 LEU 29 23.599 -19.148 3.079 253 HB3 LEU 29 HB1 LEU 29 22.090 -18.936 2.193 254 HG LEU 29 HG LEU 29 22.602 -21.006 4.350 255 HD11 LEU 29 HD11 LEU 29 20.769 -19.651 5.500 256 HD12 LEU 29 HD12 LEU 29 21.042 -18.416 4.272 257 HD13 LEU 29 HD13 LEU 29 22.341 -18.862 5.376 258 HD21 LEU 29 HD21 LEU 29 20.331 -20.487 2.447 259 HD22 LEU 29 HD22 LEU 29 19.990 -21.141 4.049 260 HD23 LEU 29 HD23 LEU 29 21.035 -22.027 2.940 261 H GLN 30 HN GLN 30 22.806 -19.176 -0.292 262 HA GLN 30 HA GLN 30 20.204 -20.084 -1.071 263 HB2 GLN 30 HB2 GLN 30 20.909 -17.780 -1.469 264 HB3 GLN 30 HB1 GLN 30 22.206 -18.342 -2.521 265 HG2 GLN 30 HG2 GLN 30 20.806 -18.765 -4.259 266 HG3 GLN 30 HG1 GLN 30 19.519 -19.356 -3.208 267 HE21 GLN 30 HE21 GLN 30 20.961 -16.201 -2.570 268 HE22 GLN 30 HE22 GLN 30 19.624 -15.288 -3.081 269 H LYS 31 HN LYS 31 23.371 -21.192 -1.662 270 HA LYS 31 HA LYS 31 22.449 -22.787 -3.981 271 HB2 LYS 31 HB2 LYS 31 25.067 -21.514 -3.319 272 HB3 LYS 31 HB1 LYS 31 25.081 -23.039 -4.205 273 HG2 LYS 31 HG2 LYS 31 25.039 -21.084 -5.736 274 HG3 LYS 31 HG1 LYS 31 23.597 -22.086 -5.911 275 HD2 LYS 31 HD2 LYS 31 22.215 -20.516 -4.933 276 HD3 LYS 31 HD1 LYS 31 23.504 -19.850 -3.932 277 HE2 LYS 31 HE2 LYS 31 24.520 -18.804 -5.916 278 HE3 LYS 31 HE1 LYS 31 23.248 -19.483 -6.932 279 HZ1 LYS 31 HZ1 LYS 31 22.896 -17.133 -6.211 280 HZ2 LYS 31 HZ2 LYS 31 22.706 -17.705 -4.622 281 HZ3 LYS 31 HZ3 LYS 31 21.622 -18.188 -5.838 282 H LYS 32 HN LYS 32 21.562 -24.425 -2.653 283 HA LYS 32 HA LYS 32 23.607 -26.188 -1.470 284 HB2 LYS 32 HB2 LYS 32 21.672 -24.742 0.009 285 HB3 LYS 32 HB1 LYS 32 21.154 -26.429 -0.001 286 HG2 LYS 32 HG2 LYS 32 23.397 -27.125 0.755 287 HG3 LYS 32 HG1 LYS 32 23.918 -25.441 0.768 288 HD2 LYS 32 HD2 LYS 32 21.455 -26.155 2.306 289 HD3 LYS 32 HD1 LYS 32 23.016 -26.615 2.982 290 HE2 LYS 32 HE2 LYS 32 23.794 -24.303 2.855 291 HE3 LYS 32 HE1 LYS 32 22.291 -23.814 2.076 292 HZ1 LYS 32 HZ1 LYS 32 21.220 -23.774 4.014 293 HZ2 LYS 32 HZ2 LYS 32 22.755 -23.790 4.741 294 HZ3 LYS 32 HZ3 LYS 32 21.893 -25.240 4.537 Start of MODEL 3 1 H1 LYS 1 HT1 LYS 1 23.255 16.080 1.056 2 H2 LYS 1 HT2 LYS 1 21.679 16.141 0.421 3 H3 LYS 1 HT3 LYS 1 22.367 17.523 1.134 4 HA LYS 1 HA LYS 1 22.630 17.998 -1.082 5 HB2 LYS 1 HB2 LYS 1 24.798 18.111 0.082 6 HB3 LYS 1 HB1 LYS 1 25.098 16.415 -0.300 7 HG2 LYS 1 HG2 LYS 1 25.476 16.840 -2.541 8 HG3 LYS 1 HG1 LYS 1 24.439 18.266 -2.554 9 HD2 LYS 1 HD2 LYS 1 26.825 18.890 -2.751 10 HD3 LYS 1 HD1 LYS 1 26.119 19.516 -1.259 11 HE2 LYS 1 HE2 LYS 1 27.123 17.767 0.047 12 HE3 LYS 1 HE1 LYS 1 27.618 16.889 -1.400 13 HZ1 LYS 1 HZ1 LYS 1 29.338 18.289 -1.778 14 HZ2 LYS 1 HZ2 LYS 1 29.247 18.487 -0.092 15 HZ3 LYS 1 HZ3 LYS 1 28.547 19.640 -1.125 16 H LYS 2 HN LYS 2 23.111 14.578 -0.386 17 HA LYS 2 HA LYS 2 22.117 13.942 -3.080 18 HB2 LYS 2 HB2 LYS 2 23.838 11.986 -2.993 19 HB3 LYS 2 HB1 LYS 2 24.388 13.586 -3.486 20 HG2 LYS 2 HG2 LYS 2 25.578 13.926 -1.552 21 HG3 LYS 2 HG1 LYS 2 24.446 12.995 -0.569 22 HD2 LYS 2 HD2 LYS 2 25.371 10.926 -1.260 23 HD3 LYS 2 HD1 LYS 2 26.219 11.666 -2.618 24 HE2 LYS 2 HE2 LYS 2 26.819 12.256 0.294 25 HE3 LYS 2 HE1 LYS 2 27.736 11.127 -0.701 26 HZ1 LYS 2 HZ1 LYS 2 28.113 13.003 -2.266 27 HZ2 LYS 2 HZ2 LYS 2 28.848 13.205 -0.749 28 HZ3 LYS 2 HZ3 LYS 2 27.419 14.046 -1.122 29 H HIS 3 HN HIS 3 22.788 12.914 0.224 30 HA HIS 3 HA HIS 3 20.323 11.457 0.378 31 HB2 HIS 3 HB2 HIS 3 21.816 9.848 -0.864 32 HB3 HIS 3 HB1 HIS 3 22.857 9.814 0.561 33 HD2 HIS 3 HD2 HIS 3 21.934 7.010 0.784 34 HE1 HIS 3 HE1 HIS 3 18.176 8.134 2.339 35 HE2 HIS 3 HE2 HIS 3 19.761 6.187 1.976 36 H THR 4 HN THR 4 22.209 9.710 2.308 37 HA THR 4 HA THR 4 22.110 11.659 4.536 38 HB THR 4 HB THR 4 20.402 10.003 4.905 39 HG1 THR 4 HG1 THR 4 21.580 10.482 6.735 40 HG21 THR 4 HG21 THR 4 21.900 7.587 5.128 41 HG22 THR 4 HG22 THR 4 22.259 8.294 3.552 42 HG23 THR 4 HG23 THR 4 20.591 7.954 4.008 43 H ILE 5 HN ILE 5 23.266 8.741 5.566 44 HA ILE 5 HA ILE 5 26.066 9.635 5.278 45 HB ILE 5 HB ILE 5 26.373 8.052 7.294 46 HG12 ILE 5 HG12 ILE 5 23.590 8.649 8.067 47 HG13 ILE 5 HG11 ILE 5 23.742 7.452 6.781 48 HG21 ILE 5 HG21 ILE 5 26.674 10.268 7.860 49 HG22 ILE 5 HG22 ILE 5 25.197 9.945 8.768 50 HG23 ILE 5 HG23 ILE 5 25.111 10.757 7.205 51 HD11 ILE 5 HD11 ILE 5 25.083 6.025 8.113 52 HD12 ILE 5 HD12 ILE 5 23.800 6.568 9.195 53 HD13 ILE 5 HD13 ILE 5 25.404 7.295 9.293 54 H TRP 6 HN TRP 6 23.801 7.127 4.603 55 HA TRP 6 HA TRP 6 25.271 4.832 4.399 56 HB2 TRP 6 HB2 TRP 6 22.889 5.886 3.168 57 HB3 TRP 6 HB1 TRP 6 23.819 4.964 1.987 58 HD1 TRP 6 HD1 TRP 6 22.634 2.701 1.925 59 HE1 TRP 6 HE1 TRP 6 22.025 0.906 3.664 60 HE3 TRP 6 HE3 TRP 6 23.848 5.190 6.205 61 HZ2 TRP 6 HZ2 TRP 6 22.051 0.572 6.500 62 HZ3 TRP 6 HZ3 TRP 6 23.546 4.113 8.417 63 HH2 TRP 6 HH2 TRP 6 22.651 1.806 8.571 64 H GLU 7 HN GLU 7 24.984 7.254 1.787 65 HA GLU 7 HA GLU 7 26.868 6.094 0.069 66 HB2 GLU 7 HB2 GLU 7 25.392 8.570 0.259 67 HB3 GLU 7 HB1 GLU 7 27.033 8.862 -0.321 68 HG2 GLU 7 HG2 GLU 7 25.196 6.739 -1.457 69 HG3 GLU 7 HG1 GLU 7 25.378 8.348 -2.149 70 H VAL 8 HN VAL 8 27.392 7.362 3.104 71 HA VAL 8 HA VAL 8 30.162 8.169 2.486 72 HB VAL 8 HB VAL 8 28.767 8.586 5.124 73 HG11 VAL 8 HG11 VAL 8 30.495 10.118 5.539 74 HG12 VAL 8 HG12 VAL 8 30.882 10.291 3.827 75 HG13 VAL 8 HG13 VAL 8 31.327 8.817 4.688 76 HG21 VAL 8 HG21 VAL 8 28.193 10.850 4.304 77 HG22 VAL 8 HG22 VAL 8 27.384 9.611 3.346 78 HG23 VAL 8 HG23 VAL 8 28.812 10.427 2.708 79 H ILE 9 HN ILE 9 28.208 6.003 4.479 80 HA ILE 9 HA ILE 9 30.671 4.591 5.276 81 HB ILE 9 HB ILE 9 29.767 5.225 7.289 82 HG12 ILE 9 HG12 ILE 9 29.576 2.558 6.811 83 HG13 ILE 9 HG11 ILE 9 29.204 3.298 8.355 84 HG21 ILE 9 HG21 ILE 9 27.072 4.999 5.969 85 HG22 ILE 9 HG22 ILE 9 27.892 6.442 6.559 86 HG23 ILE 9 HG23 ILE 9 27.265 5.266 7.704 87 HD11 ILE 9 HD11 ILE 9 27.076 2.939 6.241 88 HD12 ILE 9 HD12 ILE 9 26.866 3.258 7.956 89 HD13 ILE 9 HD13 ILE 9 27.449 1.685 7.417 90 H ALA 10 HN ALA 10 27.294 4.156 4.266 91 HA ALA 10 HA ALA 10 27.543 1.330 3.878 92 HB1 ALA 10 HB1 ALA 10 25.387 1.482 2.784 93 HB2 ALA 10 HB2 ALA 10 25.550 3.229 2.620 94 HB3 ALA 10 HB3 ALA 10 25.369 2.505 4.219 95 H GLY 11 HN GLY 11 27.024 3.887 1.428 96 HA2 GLY 11 HA2 GLY 11 27.722 2.400 -0.806 97 HA3 GLY 11 HA1 GLY 11 27.930 4.148 -0.681 98 H LEU 12 HN LEU 12 29.622 3.345 1.815 99 HA LEU 12 HA LEU 12 32.130 3.073 0.311 100 HB2 LEU 12 HB2 LEU 12 31.718 5.048 1.885 101 HB3 LEU 12 HB1 LEU 12 31.860 3.884 3.202 102 HG LEU 12 HG LEU 12 34.060 3.211 1.803 103 HD11 LEU 12 HD11 LEU 12 33.729 6.196 1.360 104 HD12 LEU 12 HD12 LEU 12 33.608 4.970 0.096 105 HD13 LEU 12 HD13 LEU 12 35.140 5.227 0.930 106 HD21 LEU 12 HD21 LEU 12 33.747 5.474 3.800 107 HD22 LEU 12 HD22 LEU 12 35.302 4.772 3.352 108 HD23 LEU 12 HD23 LEU 12 34.087 3.781 4.159 109 H VAL 13 HN VAL 13 30.103 1.555 2.704 110 HA VAL 13 HA VAL 13 32.139 -0.566 3.072 111 HB VAL 13 HB VAL 13 29.862 0.207 4.913 112 HG11 VAL 13 HG11 VAL 13 31.529 -2.178 4.663 113 HG12 VAL 13 HG12 VAL 13 30.095 -1.913 5.656 114 HG13 VAL 13 HG13 VAL 13 31.681 -1.424 6.251 115 HG21 VAL 13 HG21 VAL 13 32.069 1.647 4.661 116 HG22 VAL 13 HG22 VAL 13 32.785 0.332 5.592 117 HG23 VAL 13 HG23 VAL 13 31.446 1.260 6.266 118 H ALA 14 HN ALA 14 28.596 -0.088 3.019 119 HA ALA 14 HA ALA 14 27.732 -2.663 2.742 120 HB1 ALA 14 HB1 ALA 14 26.160 -0.819 2.804 121 HB2 ALA 14 HB2 ALA 14 25.875 -1.754 1.337 122 HB3 ALA 14 HB3 ALA 14 26.743 -0.221 1.252 123 H LEU 15 HN LEU 15 28.883 -0.556 0.104 124 HA LEU 15 HA LEU 15 28.621 -2.504 -1.931 125 HB2 LEU 15 HB2 LEU 15 28.890 -0.073 -2.375 126 HB3 LEU 15 HB1 LEU 15 30.550 -0.167 -1.791 127 HG LEU 15 HG LEU 15 31.073 -1.819 -3.567 128 HD11 LEU 15 HD11 LEU 15 28.137 -1.517 -4.053 129 HD12 LEU 15 HD12 LEU 15 29.152 -2.955 -4.171 130 HD13 LEU 15 HD13 LEU 15 29.183 -1.746 -5.454 131 HD21 LEU 15 HD21 LEU 15 31.279 0.695 -3.893 132 HD22 LEU 15 HD22 LEU 15 29.738 0.630 -4.750 133 HD23 LEU 15 HD23 LEU 15 31.135 -0.244 -5.380 134 H LEU 16 HN LEU 16 31.076 -1.822 0.449 135 HA LEU 16 HA LEU 16 32.917 -3.769 -0.736 136 HB2 LEU 16 HB2 LEU 16 33.361 -2.170 1.780 137 HB3 LEU 16 HB1 LEU 16 34.569 -2.908 0.726 138 HG LEU 16 HG LEU 16 32.768 -0.566 0.056 139 HD11 LEU 16 HD11 LEU 16 34.922 -0.310 1.488 140 HD12 LEU 16 HD12 LEU 16 34.726 0.748 0.091 141 HD13 LEU 16 HD13 LEU 16 35.781 -0.662 -0.012 142 HD21 LEU 16 HD21 LEU 16 34.575 -2.293 -1.632 143 HD22 LEU 16 HD22 LEU 16 34.256 -0.614 -2.073 144 HD23 LEU 16 HD23 LEU 16 32.925 -1.767 -1.968 145 H THR 17 HN THR 17 30.256 -4.015 1.036 146 HA THR 17 HA THR 17 31.313 -6.253 2.649 147 HB THR 17 HB THR 17 29.455 -4.049 3.431 148 HG1 THR 17 HG1 THR 17 30.732 -4.867 5.453 149 HG21 THR 17 HG21 THR 17 29.319 -6.923 4.326 150 HG22 THR 17 HG22 THR 17 27.995 -5.854 3.862 151 HG23 THR 17 HG23 THR 17 28.830 -5.610 5.396 152 H PHE 18 HN PHE 18 28.221 -4.890 1.504 153 HA PHE 18 HA PHE 18 26.603 -7.060 1.515 154 HB2 PHE 18 HB2 PHE 18 26.260 -4.649 0.518 155 HB3 PHE 18 HB1 PHE 18 26.665 -5.441 -1.005 156 HD1 PHE 18 HD1 PHE 18 24.454 -5.803 1.996 157 HD2 PHE 18 HD2 PHE 18 25.012 -6.621 -2.185 158 HE1 PHE 18 HE1 PHE 18 22.155 -6.727 1.868 159 HE2 PHE 18 HE2 PHE 18 22.714 -7.545 -2.310 160 HZ PHE 18 HZ PHE 18 21.285 -7.597 -0.284 161 H LEU 19 HN LEU 19 28.923 -6.295 -1.085 162 HA LEU 19 HA LEU 19 28.402 -8.710 -2.539 163 HB2 LEU 19 HB2 LEU 19 30.508 -6.565 -2.675 164 HB3 LEU 19 HB1 LEU 19 30.670 -8.032 -3.635 165 HG LEU 19 HG LEU 19 29.520 -6.122 -4.830 166 HD11 LEU 19 HD11 LEU 19 28.881 -8.853 -4.822 167 HD12 LEU 19 HD12 LEU 19 28.447 -7.678 -6.061 168 HD13 LEU 19 HD13 LEU 19 27.325 -8.030 -4.750 169 HD21 LEU 19 HD21 LEU 19 27.339 -5.428 -4.159 170 HD22 LEU 19 HD22 LEU 19 28.318 -5.401 -2.692 171 HD23 LEU 19 HD23 LEU 19 27.206 -6.737 -2.987 172 H ALA 20 HN ALA 20 31.100 -7.635 -0.466 173 HA ALA 20 HA ALA 20 32.744 -9.825 -0.589 174 HB1 ALA 20 HB1 ALA 20 32.486 -9.013 2.168 175 HB2 ALA 20 HB2 ALA 20 32.463 -7.602 1.111 176 HB3 ALA 20 HB3 ALA 20 33.816 -8.731 1.045 177 H PHE 21 HN PHE 21 30.048 -9.413 1.723 178 HA PHE 21 HA PHE 21 30.235 -12.170 2.575 179 HB2 PHE 21 HB2 PHE 21 28.297 -9.939 3.211 180 HB3 PHE 21 HB1 PHE 21 28.164 -11.562 3.890 181 HD1 PHE 21 HD2 PHE 21 30.571 -8.725 3.490 182 HD2 PHE 21 HD1 PHE 21 29.400 -12.153 5.799 183 HE1 PHE 21 HE2 PHE 21 32.270 -8.151 5.204 184 HE2 PHE 21 HE1 PHE 21 31.098 -11.579 7.513 185 HZ PHE 21 HZ PHE 21 32.533 -9.578 7.215 186 H GLY 22 HN GLY 22 28.147 -10.224 0.499 187 HA2 GLY 22 HA2 GLY 22 26.050 -12.012 0.080 188 HA3 GLY 22 HA1 GLY 22 26.606 -10.831 -1.100 189 H PHE 23 HN PHE 23 29.151 -11.736 -1.644 190 HA PHE 23 HA PHE 23 28.730 -13.672 -3.590 191 HB2 PHE 23 HB2 PHE 23 31.013 -12.292 -2.457 192 HB3 PHE 23 HB1 PHE 23 31.410 -13.964 -2.843 193 HD1 PHE 23 HD1 PHE 23 30.298 -14.796 -5.164 194 HD2 PHE 23 HD2 PHE 23 31.294 -10.736 -4.176 195 HE1 PHE 23 HE1 PHE 23 30.385 -14.231 -7.576 196 HE2 PHE 23 HE2 PHE 23 31.381 -10.170 -6.587 197 HZ PHE 23 HZ PHE 23 30.925 -11.919 -8.288 198 H TRP 24 HN TRP 24 28.951 -14.026 -0.221 199 HA TRP 24 HA TRP 24 29.516 -16.908 -0.451 200 HB2 TRP 24 HB2 TRP 24 31.023 -15.876 1.094 201 HB3 TRP 24 HB1 TRP 24 29.706 -15.010 1.890 202 HD1 TRP 24 HD1 TRP 24 30.388 -18.714 1.014 203 HE1 TRP 24 HE1 TRP 24 29.760 -20.154 3.062 204 HE3 TRP 24 HE3 TRP 24 28.854 -15.058 4.208 205 HZ2 TRP 24 HZ2 TRP 24 28.740 -19.793 5.706 206 HZ3 TRP 24 HZ3 TRP 24 28.056 -15.626 6.488 207 HH2 TRP 24 HH2 TRP 24 27.997 -17.987 7.239 208 H LEU 25 HN LEU 25 27.714 -14.967 1.901 209 HA LEU 25 HA LEU 25 25.897 -16.497 2.960 210 HB2 LEU 25 HB2 LEU 25 25.622 -13.792 1.793 211 HB3 LEU 25 HB1 LEU 25 24.117 -14.615 2.213 212 HG LEU 25 HG LEU 25 26.425 -14.555 4.148 213 HD11 LEU 25 HD11 LEU 25 25.454 -12.535 5.159 214 HD12 LEU 25 HD12 LEU 25 24.242 -12.466 3.880 215 HD13 LEU 25 HD13 LEU 25 25.945 -12.212 3.497 216 HD21 LEU 25 HD21 LEU 25 24.909 -15.398 5.628 217 HD22 LEU 25 HD22 LEU 25 24.014 -15.857 4.181 218 HD23 LEU 25 HD23 LEU 25 23.610 -14.366 5.032 219 H PHE 26 HN PHE 26 25.237 -15.261 -0.333 220 HA PHE 26 HA PHE 26 23.042 -17.085 -0.698 221 HB2 PHE 26 HB2 PHE 26 24.471 -15.659 -2.927 222 HB3 PHE 26 HB1 PHE 26 22.762 -16.071 -2.798 223 HD1 PHE 26 HD1 PHE 26 21.790 -15.144 -0.345 224 HD2 PHE 26 HD2 PHE 26 24.853 -13.362 -2.776 225 HE1 PHE 26 HE1 PHE 26 21.325 -12.939 0.683 226 HE2 PHE 26 HE2 PHE 26 24.386 -11.157 -1.746 227 HZ PHE 26 HZ PHE 26 22.627 -10.948 -0.013 228 H LYS 27 HN LYS 27 26.101 -16.761 -2.506 229 HA LYS 27 HA LYS 27 26.011 -19.095 -3.936 230 HB2 LYS 27 HB2 LYS 27 28.563 -18.088 -2.682 231 HB3 LYS 27 HB1 LYS 27 28.364 -18.919 -4.223 232 HG2 LYS 27 HG2 LYS 27 27.420 -16.122 -3.527 233 HG3 LYS 27 HG1 LYS 27 28.670 -16.564 -4.688 234 HD2 LYS 27 HD2 LYS 27 26.799 -17.934 -5.855 235 HD3 LYS 27 HD1 LYS 27 25.689 -16.960 -4.890 236 HE2 LYS 27 HE2 LYS 27 27.818 -15.835 -6.740 237 HE3 LYS 27 HE1 LYS 27 26.103 -15.961 -7.132 238 HZ1 LYS 27 HZ1 LYS 27 26.155 -13.865 -6.301 239 HZ2 LYS 27 HZ2 LYS 27 27.457 -14.175 -5.254 240 HZ3 LYS 27 HZ3 LYS 27 25.894 -14.704 -4.849 241 H TYR 28 HN TYR 28 26.116 -18.889 -0.552 242 HA TYR 28 HA TYR 28 27.132 -21.665 -0.340 243 HB2 TYR 28 HB2 TYR 28 28.501 -20.798 1.214 244 HB3 TYR 28 HB1 TYR 28 27.610 -19.281 1.269 245 HD1 TYR 28 HD1 TYR 28 27.235 -22.870 2.286 246 HD2 TYR 28 HD2 TYR 28 26.418 -18.755 3.206 247 HE1 TYR 28 HE1 TYR 28 26.205 -23.553 4.440 248 HE2 TYR 28 HE2 TYR 28 25.390 -19.435 5.354 249 HH TYR 28 HH TYR 28 25.553 -22.752 6.500 250 H LEU 29 HN LEU 29 24.757 -19.424 1.107 251 HA LEU 29 HA LEU 29 23.241 -21.658 2.186 252 HB2 LEU 29 HB2 LEU 29 23.600 -19.145 3.088 253 HB3 LEU 29 HB1 LEU 29 22.092 -18.923 2.198 254 HG LEU 29 HG LEU 29 22.598 -21.011 4.339 255 HD11 LEU 29 HD11 LEU 29 20.784 -19.673 5.513 256 HD12 LEU 29 HD12 LEU 29 21.012 -18.433 4.279 257 HD13 LEU 29 HD13 LEU 29 22.339 -18.856 5.364 258 HD21 LEU 29 HD21 LEU 29 20.327 -20.476 2.441 259 HD22 LEU 29 HD22 LEU 29 19.991 -21.151 4.035 260 HD23 LEU 29 HD23 LEU 29 21.038 -22.018 2.912 261 H GLN 30 HN GLN 30 22.846 -19.185 -0.321 262 HA GLN 30 HA GLN 30 20.229 -20.084 -1.090 263 HB2 GLN 30 HB2 GLN 30 20.925 -17.772 -1.456 264 HB3 GLN 30 HB1 GLN 30 22.219 -18.314 -2.521 265 HG2 GLN 30 HG2 GLN 30 20.815 -18.713 -4.260 266 HG3 GLN 30 HG1 GLN 30 19.534 -19.326 -3.215 267 HE21 GLN 30 HE21 GLN 30 20.966 -16.177 -2.529 268 HE22 GLN 30 HE22 GLN 30 19.626 -15.260 -3.021 269 H LYS 31 HN LYS 31 23.374 -21.222 -1.648 270 HA LYS 31 HA LYS 31 22.460 -22.799 -3.980 271 HB2 LYS 31 HB2 LYS 31 25.065 -21.469 -3.375 272 HB3 LYS 31 HB1 LYS 31 25.094 -22.994 -4.257 273 HG2 LYS 31 HG2 LYS 31 24.989 -21.078 -5.808 274 HG3 LYS 31 HG1 LYS 31 23.535 -22.069 -5.928 275 HD2 LYS 31 HD2 LYS 31 22.193 -20.456 -5.004 276 HD3 LYS 31 HD1 LYS 31 23.468 -19.851 -3.945 277 HE2 LYS 31 HE2 LYS 31 24.566 -18.773 -5.866 278 HE3 LYS 31 HE1 LYS 31 23.316 -19.397 -6.941 279 HZ1 LYS 31 HZ1 LYS 31 22.662 -17.724 -4.591 280 HZ2 LYS 31 HZ2 LYS 31 21.695 -18.065 -5.946 281 HZ3 LYS 31 HZ3 LYS 31 23.041 -17.038 -6.095 282 H LYS 32 HN LYS 32 21.587 -24.141 -2.118 283 HA LYS 32 HA LYS 32 23.505 -26.265 -1.583 284 HB2 LYS 32 HB2 LYS 32 22.995 -26.310 0.839 285 HB3 LYS 32 HB1 LYS 32 23.815 -24.824 0.364 286 HG2 LYS 32 HG2 LYS 32 22.121 -23.763 1.431 287 HG3 LYS 32 HG1 LYS 32 21.162 -24.162 0.006 288 HD2 LYS 32 HD2 LYS 32 20.674 -26.403 1.173 289 HD3 LYS 32 HD1 LYS 32 21.304 -25.642 2.634 290 HE2 LYS 32 HE2 LYS 32 19.644 -23.851 2.452 291 HE3 LYS 32 HE1 LYS 32 19.041 -24.537 0.943 292 HZ1 LYS 32 HZ1 LYS 32 17.747 -25.890 2.095 293 HZ2 LYS 32 HZ2 LYS 32 18.286 -25.188 3.546 294 HZ3 LYS 32 HZ3 LYS 32 19.086 -26.544 2.906 Start of MODEL 4 1 H1 LYS 1 HT1 LYS 1 21.540 17.712 -3.980 2 H2 LYS 1 HT2 LYS 1 19.977 17.673 -4.648 3 H3 LYS 1 HT3 LYS 1 21.191 16.651 -5.255 4 HA LYS 1 HA LYS 1 20.722 16.356 -2.427 5 HB2 LYS 1 HB2 LYS 1 18.422 16.843 -3.508 6 HB3 LYS 1 HB1 LYS 1 18.619 15.284 -4.309 7 HG2 LYS 1 HG2 LYS 1 18.892 14.180 -2.130 8 HG3 LYS 1 HG1 LYS 1 18.739 15.735 -1.312 9 HD2 LYS 1 HD2 LYS 1 16.465 15.997 -2.266 10 HD3 LYS 1 HD1 LYS 1 16.616 14.414 -3.029 11 HE2 LYS 1 HE2 LYS 1 15.398 14.140 -0.950 12 HE3 LYS 1 HE1 LYS 1 16.997 13.423 -0.753 13 HZ1 LYS 1 HZ1 LYS 1 15.956 15.162 0.959 14 HZ2 LYS 1 HZ2 LYS 1 16.764 16.239 -0.077 15 HZ3 LYS 1 HZ3 LYS 1 17.625 15.000 0.704 16 H LYS 2 HN LYS 2 22.085 14.735 -2.035 17 HA LYS 2 HA LYS 2 22.624 12.768 -4.161 18 HB2 LYS 2 HB2 LYS 2 24.563 13.983 -3.199 19 HB3 LYS 2 HB1 LYS 2 24.167 13.317 -1.615 20 HG2 LYS 2 HG2 LYS 2 24.227 11.177 -3.530 21 HG3 LYS 2 HG1 LYS 2 25.719 12.107 -3.665 22 HD2 LYS 2 HD2 LYS 2 24.587 11.077 -1.049 23 HD3 LYS 2 HD1 LYS 2 25.858 10.270 -1.967 24 HE2 LYS 2 HE2 LYS 2 26.538 13.047 -1.670 25 HE3 LYS 2 HE1 LYS 2 26.153 12.376 -0.085 26 HZ1 LYS 2 HZ1 LYS 2 27.663 10.479 -1.445 27 HZ2 LYS 2 HZ2 LYS 2 28.118 11.394 -0.088 28 HZ3 LYS 2 HZ3 LYS 2 28.452 11.966 -1.653 29 H HIS 3 HN HIS 3 22.845 12.498 -0.627 30 HA HIS 3 HA HIS 3 20.635 10.737 -0.326 31 HB2 HIS 3 HB2 HIS 3 22.337 9.329 -1.641 32 HB3 HIS 3 HB1 HIS 3 23.297 9.330 -0.163 33 HD2 HIS 3 HD2 HIS 3 22.728 6.583 0.365 34 HE1 HIS 3 HE1 HIS 3 18.586 7.123 0.971 35 HE2 HIS 3 HE2 HIS 3 20.510 5.480 1.189 36 H THR 4 HN THR 4 21.322 9.251 1.822 37 HA THR 4 HA THR 4 21.634 11.250 3.876 38 HB THR 4 HB THR 4 20.070 9.519 4.344 39 HG1 THR 4 HG1 THR 4 22.274 9.841 5.808 40 HG21 THR 4 HG21 THR 4 22.102 7.865 3.049 41 HG22 THR 4 HG22 THR 4 20.369 7.586 3.215 42 HG23 THR 4 HG23 THR 4 21.465 7.124 4.517 43 H ILE 5 HN ILE 5 23.030 8.340 4.831 44 HA ILE 5 HA ILE 5 25.760 9.446 4.559 45 HB ILE 5 HB ILE 5 26.165 8.095 6.723 46 HG12 ILE 5 HG12 ILE 5 23.373 8.615 7.493 47 HG13 ILE 5 HG11 ILE 5 23.549 7.326 6.304 48 HG21 ILE 5 HG21 ILE 5 25.352 10.009 8.098 49 HG22 ILE 5 HG22 ILE 5 24.444 10.591 6.702 50 HG23 ILE 5 HG23 ILE 5 26.205 10.537 6.646 51 HD11 ILE 5 HD11 ILE 5 25.212 7.472 8.824 52 HD12 ILE 5 HD12 ILE 5 25.060 6.113 7.714 53 HD13 ILE 5 HD13 ILE 5 23.694 6.579 8.727 54 H TRP 6 HN TRP 6 23.636 6.718 4.288 55 HA TRP 6 HA TRP 6 25.239 4.519 4.246 56 HB2 TRP 6 HB2 TRP 6 22.771 5.305 2.967 57 HB3 TRP 6 HB1 TRP 6 23.729 4.298 1.881 58 HD1 TRP 6 HD1 TRP 6 22.661 1.987 2.114 59 HE1 TRP 6 HE1 TRP 6 22.180 0.382 4.067 60 HE3 TRP 6 HE3 TRP 6 23.827 5.022 6.042 61 HZ2 TRP 6 HZ2 TRP 6 22.277 0.387 6.919 62 HZ3 TRP 6 HZ3 TRP 6 23.624 4.199 8.371 63 HH2 TRP 6 HH2 TRP 6 22.852 1.885 8.816 64 H GLU 7 HN GLU 7 24.613 6.405 1.283 65 HA GLU 7 HA GLU 7 26.540 5.294 -0.335 66 HB2 GLU 7 HB2 GLU 7 25.152 7.898 -0.209 67 HB3 GLU 7 HB1 GLU 7 26.620 7.853 -1.184 68 HG2 GLU 7 HG2 GLU 7 24.498 5.729 -1.457 69 HG3 GLU 7 HG1 GLU 7 24.389 7.245 -2.348 70 H VAL 8 HN VAL 8 27.059 7.135 2.488 71 HA VAL 8 HA VAL 8 29.778 7.882 1.675 72 HB VAL 8 HB VAL 8 28.525 8.543 4.331 73 HG11 VAL 8 HG11 VAL 8 31.044 8.904 3.392 74 HG12 VAL 8 HG12 VAL 8 30.273 9.995 4.545 75 HG13 VAL 8 HG13 VAL 8 30.284 10.393 2.826 76 HG21 VAL 8 HG21 VAL 8 27.735 10.649 3.299 77 HG22 VAL 8 HG22 VAL 8 26.948 9.255 2.558 78 HG23 VAL 8 HG23 VAL 8 28.266 10.073 1.718 79 H ILE 9 HN ILE 9 28.053 5.918 4.070 80 HA ILE 9 HA ILE 9 30.631 4.728 4.869 81 HB ILE 9 HB ILE 9 29.764 5.557 6.833 82 HG12 ILE 9 HG12 ILE 9 29.772 2.844 6.684 83 HG13 ILE 9 HG11 ILE 9 29.415 3.738 8.147 84 HG21 ILE 9 HG21 ILE 9 27.287 5.458 7.372 85 HG22 ILE 9 HG22 ILE 9 27.040 4.962 5.695 86 HG23 ILE 9 HG23 ILE 9 27.764 6.527 6.059 87 HD11 ILE 9 HD11 ILE 9 27.752 1.895 7.511 88 HD12 ILE 9 HD12 ILE 9 27.226 2.958 6.214 89 HD13 ILE 9 HD13 ILE 9 27.070 3.473 7.888 90 H ALA 10 HN ALA 10 27.248 3.960 4.109 91 HA ALA 10 HA ALA 10 27.660 1.135 4.047 92 HB1 ALA 10 HB1 ALA 10 25.468 1.041 2.987 93 HB2 ALA 10 HB2 ALA 10 25.523 2.775 2.664 94 HB3 ALA 10 HB3 ALA 10 25.431 2.189 4.325 95 H GLY 11 HN GLY 11 26.909 3.323 1.318 96 HA2 GLY 11 HA2 GLY 11 27.629 1.608 -0.735 97 HA3 GLY 11 HA1 GLY 11 27.735 3.365 -0.839 98 H LEU 12 HN LEU 12 29.550 2.997 1.668 99 HA LEU 12 HA LEU 12 32.016 2.679 0.110 100 HB2 LEU 12 HB2 LEU 12 31.553 4.811 1.431 101 HB3 LEU 12 HB1 LEU 12 31.777 3.838 2.886 102 HG LEU 12 HG LEU 12 33.964 3.126 1.371 103 HD11 LEU 12 HD11 LEU 12 33.597 6.120 1.073 104 HD12 LEU 12 HD12 LEU 12 33.320 4.969 -0.235 105 HD13 LEU 12 HD13 LEU 12 34.931 5.143 0.460 106 HD21 LEU 12 HD21 LEU 12 33.952 3.668 3.771 107 HD22 LEU 12 HD22 LEU 12 33.715 5.374 3.398 108 HD23 LEU 12 HD23 LEU 12 35.221 4.574 2.948 109 H VAL 13 HN VAL 13 30.160 1.332 2.725 110 HA VAL 13 HA VAL 13 32.365 -0.551 3.332 111 HB VAL 13 HB VAL 13 29.994 0.280 5.017 112 HG11 VAL 13 HG11 VAL 13 31.997 -1.946 5.266 113 HG12 VAL 13 HG12 VAL 13 30.261 -1.971 5.584 114 HG13 VAL 13 HG13 VAL 13 31.355 -1.179 6.719 115 HG21 VAL 13 HG21 VAL 13 32.928 0.490 5.693 116 HG22 VAL 13 HG22 VAL 13 31.574 1.376 6.390 117 HG23 VAL 13 HG23 VAL 13 32.126 1.754 4.760 118 H ALA 14 HN ALA 14 28.800 -0.434 3.093 119 HA ALA 14 HA ALA 14 28.196 -3.097 3.127 120 HB1 ALA 14 HB1 ALA 14 26.196 -2.195 2.656 121 HB2 ALA 14 HB2 ALA 14 26.695 -2.059 0.970 122 HB3 ALA 14 HB3 ALA 14 26.958 -0.715 2.079 123 H LEU 15 HN LEU 15 29.258 -1.245 0.272 124 HA LEU 15 HA LEU 15 29.291 -3.421 -1.523 125 HB2 LEU 15 HB2 LEU 15 31.069 -0.969 -1.558 126 HB3 LEU 15 HB1 LEU 15 30.679 -2.006 -2.933 127 HG LEU 15 HG LEU 15 28.676 -0.397 -1.330 128 HD11 LEU 15 HD11 LEU 15 28.770 1.241 -2.938 129 HD12 LEU 15 HD12 LEU 15 29.168 0.101 -4.223 130 HD13 LEU 15 HD13 LEU 15 30.422 0.646 -3.108 131 HD21 LEU 15 HD21 LEU 15 27.410 -2.165 -2.148 132 HD22 LEU 15 HD22 LEU 15 28.458 -2.401 -3.549 133 HD23 LEU 15 HD23 LEU 15 27.323 -1.053 -3.515 134 H LEU 16 HN LEU 16 31.526 -2.275 0.877 135 HA LEU 16 HA LEU 16 33.574 -4.204 0.053 136 HB2 LEU 16 HB2 LEU 16 33.733 -2.261 2.349 137 HB3 LEU 16 HB1 LEU 16 35.060 -3.035 1.480 138 HG LEU 16 HG LEU 16 33.143 -0.965 0.379 139 HD11 LEU 16 HD11 LEU 16 35.115 -0.287 1.895 140 HD12 LEU 16 HD12 LEU 16 35.017 0.495 0.318 141 HD13 LEU 16 HD13 LEU 16 36.156 -0.826 0.578 142 HD21 LEU 16 HD21 LEU 16 35.196 -2.743 -0.923 143 HD22 LEU 16 HD22 LEU 16 34.804 -1.169 -1.613 144 HD23 LEU 16 HD23 LEU 16 33.548 -2.395 -1.443 145 H THR 17 HN THR 17 30.830 -4.415 1.697 146 HA THR 17 HA THR 17 31.874 -6.511 3.469 147 HB THR 17 HB THR 17 30.098 -4.221 4.322 148 HG1 THR 17 HG1 THR 17 32.025 -4.895 6.015 149 HG21 THR 17 HG21 THR 17 29.022 -6.092 5.271 150 HG22 THR 17 HG22 THR 17 30.125 -5.557 6.539 151 HG23 THR 17 HG23 THR 17 30.544 -6.944 5.532 152 H PHE 18 HN PHE 18 28.696 -4.968 3.036 153 HA PHE 18 HA PHE 18 27.115 -7.200 3.151 154 HB2 PHE 18 HB2 PHE 18 26.504 -4.682 2.806 155 HB3 PHE 18 HB1 PHE 18 26.507 -5.101 1.095 156 HD1 PHE 18 HD2 PHE 18 25.244 -6.451 4.361 157 HD2 PHE 18 HD1 PHE 18 24.510 -5.888 0.165 158 HE1 PHE 18 HE2 PHE 18 22.997 -7.468 4.616 159 HE2 PHE 18 HE1 PHE 18 22.262 -6.904 0.422 160 HZ PHE 18 HZ PHE 18 21.506 -7.694 2.648 161 H LEU 19 HN LEU 19 28.632 -5.854 0.221 162 HA LEU 19 HA LEU 19 27.706 -7.970 -1.479 163 HB2 LEU 19 HB2 LEU 19 29.670 -5.716 -1.757 164 HB3 LEU 19 HB1 LEU 19 29.598 -6.972 -2.987 165 HG LEU 19 HG LEU 19 28.136 -4.956 -3.449 166 HD11 LEU 19 HD11 LEU 19 27.575 -7.697 -3.794 167 HD12 LEU 19 HD12 LEU 19 26.854 -6.349 -4.670 168 HD13 LEU 19 HD13 LEU 19 26.071 -6.979 -3.222 169 HD21 LEU 19 HD21 LEU 19 26.359 -6.072 -1.278 170 HD22 LEU 19 HD22 LEU 19 26.219 -4.531 -2.123 171 HD23 LEU 19 HD23 LEU 19 27.515 -4.783 -0.959 172 H ALA 20 HN ALA 20 30.891 -7.153 -0.097 173 HA ALA 20 HA ALA 20 32.445 -9.165 -1.081 174 HB1 ALA 20 HB1 ALA 20 33.176 -9.098 1.605 175 HB2 ALA 20 HB2 ALA 20 32.463 -7.512 1.314 176 HB3 ALA 20 HB3 ALA 20 33.813 -8.066 0.324 177 H PHE 21 HN PHE 21 30.484 -9.418 1.896 178 HA PHE 21 HA PHE 21 30.909 -12.278 2.025 179 HB2 PHE 21 HB2 PHE 21 29.258 -10.364 3.680 180 HB3 PHE 21 HB1 PHE 21 29.329 -12.100 3.986 181 HD1 PHE 21 HD1 PHE 21 31.595 -9.163 3.425 182 HD2 PHE 21 HD2 PHE 21 31.003 -12.935 5.393 183 HE1 PHE 21 HE1 PHE 21 33.729 -8.858 4.650 184 HE2 PHE 21 HE2 PHE 21 33.135 -12.630 6.619 185 HZ PHE 21 HZ PHE 21 34.498 -10.592 6.247 186 H GLY 22 HN GLY 22 28.305 -10.062 1.140 187 HA2 GLY 22 HA2 GLY 22 26.166 -11.835 0.961 188 HA3 GLY 22 HA1 GLY 22 26.365 -10.409 -0.054 189 H PHE 23 HN PHE 23 28.608 -11.033 -1.500 190 HA PHE 23 HA PHE 23 27.633 -12.550 -3.606 191 HB2 PHE 23 HB2 PHE 23 30.167 -11.329 -2.882 192 HB3 PHE 23 HB1 PHE 23 30.405 -12.850 -3.743 193 HD1 PHE 23 HD1 PHE 23 28.659 -13.189 -5.778 194 HD2 PHE 23 HD2 PHE 23 29.956 -9.410 -4.196 195 HE1 PHE 23 HE1 PHE 23 28.055 -12.084 -7.915 196 HE2 PHE 23 HE2 PHE 23 29.352 -8.308 -6.331 197 HZ PHE 23 HZ PHE 23 28.401 -9.645 -8.191 198 H TRP 24 HN TRP 24 28.859 -13.582 -0.600 199 HA TRP 24 HA TRP 24 29.288 -16.319 -1.598 200 HB2 TRP 24 HB2 TRP 24 31.194 -15.551 -0.376 201 HB3 TRP 24 HB1 TRP 24 30.182 -14.940 0.934 202 HD1 TRP 24 HD1 TRP 24 30.539 -18.342 -0.869 203 HE1 TRP 24 HE1 TRP 24 30.532 -20.205 0.919 204 HE3 TRP 24 HE3 TRP 24 30.050 -15.511 3.334 205 HZ2 TRP 24 HZ2 TRP 24 30.342 -20.451 3.758 206 HZ3 TRP 24 HZ3 TRP 24 29.957 -16.578 5.574 207 HH2 TRP 24 HH2 TRP 24 30.102 -19.043 5.789 208 H LEU 25 HN LEU 25 28.280 -15.011 1.536 209 HA LEU 25 HA LEU 25 26.850 -16.821 2.731 210 HB2 LEU 25 HB2 LEU 25 26.249 -13.958 2.288 211 HB3 LEU 25 HB1 LEU 25 24.938 -14.936 2.951 212 HG LEU 25 HG LEU 25 27.721 -15.129 4.090 213 HD11 LEU 25 HD11 LEU 25 27.073 -12.734 4.111 214 HD12 LEU 25 HD12 LEU 25 27.110 -13.411 5.738 215 HD13 LEU 25 HD13 LEU 25 25.567 -13.159 4.923 216 HD21 LEU 25 HD21 LEU 25 25.300 -15.283 5.782 217 HD22 LEU 25 HD22 LEU 25 26.714 -16.337 5.742 218 HD23 LEU 25 HD23 LEU 25 25.424 -16.551 4.560 219 H PHE 26 HN PHE 26 25.252 -14.988 0.107 220 HA PHE 26 HA PHE 26 23.035 -16.818 0.029 221 HB2 PHE 26 HB2 PHE 26 23.746 -14.891 -2.169 222 HB3 PHE 26 HB1 PHE 26 22.150 -15.418 -1.637 223 HD1 PHE 26 HD1 PHE 26 21.947 -15.063 1.126 224 HD2 PHE 26 HD2 PHE 26 24.179 -12.659 -1.648 225 HE1 PHE 26 HE1 PHE 26 21.825 -13.145 2.690 226 HE2 PHE 26 HE2 PHE 26 24.056 -10.741 -0.083 227 HZ PHE 26 HZ PHE 26 22.885 -10.986 2.086 228 H LYS 27 HN LYS 27 25.412 -15.965 -2.489 229 HA LYS 27 HA LYS 27 24.878 -17.971 -4.279 230 HB2 LYS 27 HB2 LYS 27 27.695 -17.074 -3.674 231 HB3 LYS 27 HB1 LYS 27 27.026 -17.592 -5.222 232 HG2 LYS 27 HG2 LYS 27 26.356 -15.053 -3.703 233 HG3 LYS 27 HG1 LYS 27 27.174 -15.179 -5.259 234 HD2 LYS 27 HD2 LYS 27 25.017 -16.415 -6.030 235 HD3 LYS 27 HD1 LYS 27 24.281 -15.680 -4.605 236 HE2 LYS 27 HE2 LYS 27 25.552 -13.522 -5.637 237 HE3 LYS 27 HE1 LYS 27 25.212 -14.412 -7.121 238 HZ1 LYS 27 HZ1 LYS 27 23.039 -14.249 -5.201 239 HZ2 LYS 27 HZ2 LYS 27 23.005 -14.128 -6.895 240 HZ3 LYS 27 HZ3 LYS 27 23.465 -12.790 -5.954 241 H TYR 28 HN TYR 28 25.983 -18.442 -1.118 242 HA TYR 28 HA TYR 28 27.020 -21.135 -1.801 243 HB2 TYR 28 HB2 TYR 28 28.795 -20.513 -0.574 244 HB3 TYR 28 HB1 TYR 28 27.965 -19.096 0.059 245 HD1 TYR 28 HD1 TYR 28 27.899 -22.834 0.364 246 HD2 TYR 28 HD2 TYR 28 27.421 -19.044 2.327 247 HE1 TYR 28 HE1 TYR 28 27.569 -23.997 2.531 248 HE2 TYR 28 HE2 TYR 28 27.089 -20.203 4.491 249 HH TYR 28 HH TYR 28 26.743 -23.683 4.675 250 H LEU 29 HN LEU 29 25.199 -19.375 0.719 251 HA LEU 29 HA LEU 29 24.065 -21.865 1.700 252 HB2 LEU 29 HB2 LEU 29 24.692 -19.570 2.963 253 HB3 LEU 29 HB1 LEU 29 22.990 -19.260 2.626 254 HG LEU 29 HG LEU 29 24.102 -21.706 4.033 255 HD11 LEU 29 HD11 LEU 29 22.612 -19.250 4.980 256 HD12 LEU 29 HD12 LEU 29 24.177 -19.846 5.533 257 HD13 LEU 29 HD13 LEU 29 22.704 -20.730 5.934 258 HD21 LEU 29 HD21 LEU 29 21.371 -20.930 3.041 259 HD22 LEU 29 HD22 LEU 29 21.521 -21.927 4.487 260 HD23 LEU 29 HD23 LEU 29 22.181 -22.494 2.952 261 H GLN 30 HN GLN 30 22.943 -18.953 0.017 262 HA GLN 30 HA GLN 30 20.214 -19.830 -0.128 263 HB2 GLN 30 HB2 GLN 30 20.784 -17.454 -0.194 264 HB3 GLN 30 HB1 GLN 30 21.692 -17.698 -1.683 265 HG2 GLN 30 HG2 GLN 30 19.826 -17.816 -2.969 266 HG3 GLN 30 HG1 GLN 30 18.919 -18.707 -1.747 267 HE21 GLN 30 HE21 GLN 30 20.504 -15.672 -0.884 268 HE22 GLN 30 HE22 GLN 30 19.078 -14.763 -0.742 269 H LYS 31 HN LYS 31 23.048 -20.636 -1.815 270 HA LYS 31 HA LYS 31 21.470 -21.776 -4.046 271 HB2 LYS 31 HB2 LYS 31 24.136 -20.429 -3.979 272 HB3 LYS 31 HB1 LYS 31 23.894 -21.742 -5.131 273 HG2 LYS 31 HG2 LYS 31 23.321 -19.564 -6.139 274 HG3 LYS 31 HG1 LYS 31 21.901 -20.601 -6.026 275 HD2 LYS 31 HD2 LYS 31 20.903 -19.297 -4.429 276 HD3 LYS 31 HD1 LYS 31 22.439 -18.834 -3.694 277 HE2 LYS 31 HE2 LYS 31 22.900 -17.322 -5.574 278 HE3 LYS 31 HE1 LYS 31 21.389 -17.802 -6.345 279 HZ1 LYS 31 HZ1 LYS 31 20.153 -16.892 -4.539 280 HZ2 LYS 31 HZ2 LYS 31 21.243 -15.704 -5.070 281 HZ3 LYS 31 HZ3 LYS 31 21.561 -16.577 -3.648 282 H LYS 32 HN LYS 32 21.215 -23.507 -2.308 283 HA LYS 32 HA LYS 32 23.188 -25.576 -2.844 284 HB2 LYS 32 HB2 LYS 32 23.517 -26.110 -0.457 285 HB3 LYS 32 HB1 LYS 32 24.124 -24.502 -0.854 286 HG2 LYS 32 HG2 LYS 32 22.867 -23.787 0.890 287 HG3 LYS 32 HG1 LYS 32 21.491 -23.997 -0.194 288 HD2 LYS 32 HD2 LYS 32 21.414 -26.427 0.593 289 HD3 LYS 32 HD1 LYS 32 22.549 -25.952 1.858 290 HE2 LYS 32 HE2 LYS 32 20.608 -23.976 1.985 291 HE3 LYS 32 HE1 LYS 32 19.674 -25.435 1.651 292 HZ1 LYS 32 HZ1 LYS 32 21.371 -24.799 3.956 293 HZ2 LYS 32 HZ2 LYS 32 21.219 -26.424 3.481 294 HZ3 LYS 32 HZ3 LYS 32 19.840 -25.530 3.912 Start of MODEL 5 1 H1 LYS 1 HT1 LYS 1 23.738 16.680 0.905 2 H2 LYS 1 HT2 LYS 1 23.808 17.072 -0.746 3 H3 LYS 1 HT3 LYS 1 23.925 15.452 -0.249 4 HA LYS 1 HA LYS 1 21.582 16.149 0.845 5 HB2 LYS 1 HB2 LYS 1 22.163 18.256 -0.854 6 HB3 LYS 1 HB1 LYS 1 21.134 17.221 -1.849 7 HG2 LYS 1 HG2 LYS 1 19.545 17.112 0.146 8 HG3 LYS 1 HG1 LYS 1 20.496 18.417 0.855 9 HD2 LYS 1 HD2 LYS 1 20.040 19.848 -1.069 10 HD3 LYS 1 HD1 LYS 1 19.176 18.537 -1.872 11 HE2 LYS 1 HE2 LYS 1 18.159 19.004 0.819 12 HE3 LYS 1 HE1 LYS 1 18.053 20.454 -0.179 13 HZ1 LYS 1 HZ1 LYS 1 17.081 18.932 -1.933 14 HZ2 LYS 1 HZ2 LYS 1 16.095 19.277 -0.593 15 HZ3 LYS 1 HZ3 LYS 1 16.896 17.782 -0.699 16 H LYS 2 HN LYS 2 23.581 14.729 -1.436 17 HA LYS 2 HA LYS 2 21.993 13.430 -3.261 18 HB2 LYS 2 HB2 LYS 2 23.684 11.436 -2.734 19 HB3 LYS 2 HB1 LYS 2 24.206 12.900 -3.567 20 HG2 LYS 2 HG2 LYS 2 25.285 13.750 -1.692 21 HG3 LYS 2 HG1 LYS 2 24.273 12.838 -0.570 22 HD2 LYS 2 HD2 LYS 2 25.377 10.745 -1.262 23 HD3 LYS 2 HD1 LYS 2 26.388 11.650 -2.389 24 HE2 LYS 2 HE2 LYS 2 27.040 13.058 -0.285 25 HE3 LYS 2 HE1 LYS 2 26.435 11.670 0.619 26 HZ1 LYS 2 HZ1 LYS 2 28.857 11.612 0.079 27 HZ2 LYS 2 HZ2 LYS 2 28.435 11.447 -1.558 28 HZ3 LYS 2 HZ3 LYS 2 27.984 10.252 -0.437 29 H HIS 3 HN HIS 3 22.639 12.434 0.092 30 HA HIS 3 HA HIS 3 20.051 11.179 0.291 31 HB2 HIS 3 HB2 HIS 3 21.396 9.434 -0.889 32 HB3 HIS 3 HB1 HIS 3 22.502 9.412 0.485 33 HD2 HIS 3 HD2 HIS 3 21.492 6.679 0.923 34 HE1 HIS 3 HE1 HIS 3 17.827 8.026 2.524 35 HE2 HIS 3 HE2 HIS 3 19.334 6.005 2.229 36 H THR 4 HN THR 4 21.983 9.424 2.251 37 HA THR 4 HA THR 4 21.849 11.408 4.446 38 HB THR 4 HB THR 4 20.187 9.717 4.856 39 HG1 THR 4 HG1 THR 4 21.575 8.525 6.612 40 HG21 THR 4 HG21 THR 4 20.420 7.656 4.000 41 HG22 THR 4 HG22 THR 4 21.749 7.345 5.113 42 HG23 THR 4 HG23 THR 4 22.074 8.032 3.520 43 H ILE 5 HN ILE 5 23.086 8.534 5.513 44 HA ILE 5 HA ILE 5 25.857 9.516 5.234 45 HB ILE 5 HB ILE 5 26.201 7.939 7.246 46 HG12 ILE 5 HG12 ILE 5 23.387 8.443 7.985 47 HG13 ILE 5 HG11 ILE 5 23.605 7.240 6.712 48 HG21 ILE 5 HG21 ILE 5 24.911 10.614 7.116 49 HG22 ILE 5 HG22 ILE 5 26.425 10.130 7.881 50 HG23 ILE 5 HG23 ILE 5 24.888 9.807 8.685 51 HD11 ILE 5 HD11 ILE 5 23.659 6.393 9.144 52 HD12 ILE 5 HD12 ILE 5 25.241 7.168 9.242 53 HD13 ILE 5 HD13 ILE 5 24.966 5.873 8.079 54 H TRP 6 HN TRP 6 23.692 6.927 4.525 55 HA TRP 6 HA TRP 6 25.233 4.684 4.337 56 HB2 TRP 6 HB2 TRP 6 22.861 5.684 3.038 57 HB3 TRP 6 HB1 TRP 6 23.850 4.794 1.883 58 HD1 TRP 6 HD1 TRP 6 22.714 2.508 1.774 59 HE1 TRP 6 HE1 TRP 6 22.108 0.682 3.485 60 HE3 TRP 6 HE3 TRP 6 23.765 4.989 6.103 61 HZ2 TRP 6 HZ2 TRP 6 22.075 0.324 6.316 62 HZ3 TRP 6 HZ3 TRP 6 23.439 3.885 8.297 63 HH2 TRP 6 HH2 TRP 6 22.595 1.556 8.410 64 H GLU 7 HN GLU 7 24.842 6.895 1.563 65 HA GLU 7 HA GLU 7 26.861 5.885 -0.024 66 HB2 GLU 7 HB2 GLU 7 25.628 8.588 0.280 67 HB3 GLU 7 HB1 GLU 7 27.029 8.400 -0.773 68 HG2 GLU 7 HG2 GLU 7 24.831 8.109 -1.955 69 HG3 GLU 7 HG1 GLU 7 25.895 6.710 -2.081 70 H VAL 8 HN VAL 8 27.239 7.301 3.016 71 HA VAL 8 HA VAL 8 30.000 8.149 2.446 72 HB VAL 8 HB VAL 8 28.593 8.552 5.074 73 HG11 VAL 8 HG11 VAL 8 31.153 8.950 4.429 74 HG12 VAL 8 HG12 VAL 8 30.289 10.055 5.497 75 HG13 VAL 8 HG13 VAL 8 30.498 10.461 3.794 76 HG21 VAL 8 HG21 VAL 8 28.499 10.353 2.628 77 HG22 VAL 8 HG22 VAL 8 27.860 10.753 4.223 78 HG23 VAL 8 HG23 VAL 8 27.128 9.454 3.282 79 H ILE 9 HN ILE 9 28.105 5.911 4.413 80 HA ILE 9 HA ILE 9 30.614 4.611 5.258 81 HB ILE 9 HB ILE 9 29.671 5.223 7.260 82 HG12 ILE 9 HG12 ILE 9 29.585 2.551 6.804 83 HG13 ILE 9 HG11 ILE 9 29.154 3.285 8.334 84 HG21 ILE 9 HG21 ILE 9 27.763 6.370 6.515 85 HG22 ILE 9 HG22 ILE 9 27.163 5.172 7.651 86 HG23 ILE 9 HG23 ILE 9 26.999 4.901 5.914 87 HD11 ILE 9 HD11 ILE 9 27.082 2.839 6.182 88 HD12 ILE 9 HD12 ILE 9 26.828 3.148 7.894 89 HD13 ILE 9 HD13 ILE 9 27.480 1.600 7.365 90 H ALA 10 HN ALA 10 27.280 4.063 4.192 91 HA ALA 10 HA ALA 10 27.592 1.240 3.849 92 HB1 ALA 10 HB1 ALA 10 25.611 3.107 2.523 93 HB2 ALA 10 HB2 ALA 10 25.389 2.360 4.106 94 HB3 ALA 10 HB3 ALA 10 25.472 1.354 2.661 95 H GLY 11 HN GLY 11 27.073 3.735 1.339 96 HA2 GLY 11 HA2 GLY 11 27.880 2.237 -0.847 97 HA3 GLY 11 HA1 GLY 11 28.037 3.992 -0.745 98 H LEU 12 HN LEU 12 29.681 3.308 1.805 99 HA LEU 12 HA LEU 12 32.235 3.084 0.382 100 HB2 LEU 12 HB2 LEU 12 31.718 5.051 1.937 101 HB3 LEU 12 HB1 LEU 12 31.859 3.893 3.261 102 HG LEU 12 HG LEU 12 34.116 3.291 1.910 103 HD11 LEU 12 HD11 LEU 12 33.415 5.252 0.324 104 HD12 LEU 12 HD12 LEU 12 35.097 5.135 0.846 105 HD13 LEU 12 HD13 LEU 12 34.009 6.285 1.625 106 HD21 LEU 12 HD21 LEU 12 34.027 3.848 4.282 107 HD22 LEU 12 HD22 LEU 12 33.715 5.543 3.906 108 HD23 LEU 12 HD23 LEU 12 35.279 4.825 3.518 109 H VAL 13 HN VAL 13 30.180 1.522 2.717 110 HA VAL 13 HA VAL 13 32.247 -0.558 3.134 111 HB VAL 13 HB VAL 13 29.952 0.191 4.962 112 HG11 VAL 13 HG11 VAL 13 31.843 -1.378 6.302 113 HG12 VAL 13 HG12 VAL 13 31.646 -2.163 4.736 114 HG13 VAL 13 HG13 VAL 13 30.243 -1.893 5.769 115 HG21 VAL 13 HG21 VAL 13 32.869 0.405 5.645 116 HG22 VAL 13 HG22 VAL 13 31.503 1.299 6.310 117 HG23 VAL 13 HG23 VAL 13 32.116 1.692 4.704 118 H ALA 14 HN ALA 14 28.693 -0.157 3.125 119 HA ALA 14 HA ALA 14 27.898 -2.754 2.848 120 HB1 ALA 14 HB1 ALA 14 26.298 -0.915 2.951 121 HB2 ALA 14 HB2 ALA 14 25.971 -1.909 1.530 122 HB3 ALA 14 HB3 ALA 14 26.799 -0.360 1.354 123 H LEU 15 HN LEU 15 29.107 -0.629 0.269 124 HA LEU 15 HA LEU 15 28.790 -2.551 -1.809 125 HB2 LEU 15 HB2 LEU 15 29.035 -0.099 -2.208 126 HB3 LEU 15 HB1 LEU 15 30.711 -0.210 -1.678 127 HG LEU 15 HG LEU 15 31.158 -1.853 -3.491 128 HD11 LEU 15 HD11 LEU 15 28.219 -1.483 -3.895 129 HD12 LEU 15 HD12 LEU 15 29.205 -2.933 -4.084 130 HD13 LEU 15 HD13 LEU 15 29.222 -1.687 -5.332 131 HD21 LEU 15 HD21 LEU 15 31.800 0.213 -4.266 132 HD22 LEU 15 HD22 LEU 15 30.215 0.930 -3.974 133 HD23 LEU 15 HD23 LEU 15 30.478 -0.078 -5.398 134 H LEU 16 HN LEU 16 31.293 -1.820 0.519 135 HA LEU 16 HA LEU 16 33.152 -3.723 -0.691 136 HB2 LEU 16 HB2 LEU 16 33.534 -2.199 1.884 137 HB3 LEU 16 HB1 LEU 16 34.771 -2.894 0.833 138 HG LEU 16 HG LEU 16 32.949 -0.559 0.186 139 HD11 LEU 16 HD11 LEU 16 35.968 -0.628 0.234 140 HD12 LEU 16 HD12 LEU 16 35.033 -0.275 1.687 141 HD13 LEU 16 HD13 LEU 16 34.905 0.778 0.278 142 HD21 LEU 16 HD21 LEU 16 34.814 -2.222 -1.496 143 HD22 LEU 16 HD22 LEU 16 34.520 -0.529 -1.896 144 HD23 LEU 16 HD23 LEU 16 33.180 -1.677 -1.870 145 H THR 17 HN THR 17 30.502 -3.958 1.178 146 HA THR 17 HA THR 17 31.554 -6.269 2.691 147 HB THR 17 HB THR 17 29.684 -4.087 3.488 148 HG1 THR 17 HG1 THR 17 31.787 -4.152 4.283 149 HG21 THR 17 HG21 THR 17 28.175 -5.886 3.796 150 HG22 THR 17 HG22 THR 17 28.940 -5.683 5.371 151 HG23 THR 17 HG23 THR 17 29.459 -6.984 4.302 152 H PHE 18 HN PHE 18 28.420 -4.950 1.603 153 HA PHE 18 HA PHE 18 26.930 -7.228 1.487 154 HB2 PHE 18 HB2 PHE 18 26.359 -4.780 0.784 155 HB3 PHE 18 HB1 PHE 18 26.815 -5.324 -0.831 156 HD1 PHE 18 HD2 PHE 18 24.492 -5.885 2.003 157 HD2 PHE 18 HD1 PHE 18 25.447 -6.872 -2.067 158 HE1 PHE 18 HE2 PHE 18 22.285 -6.984 1.753 159 HE2 PHE 18 HE1 PHE 18 23.239 -7.971 -2.318 160 HZ PHE 18 HZ PHE 18 21.657 -8.029 -0.408 161 H LEU 19 HN LEU 19 29.269 -6.124 -0.946 162 HA LEU 19 HA LEU 19 28.764 -8.317 -2.734 163 HB2 LEU 19 HB2 LEU 19 30.867 -6.169 -2.564 164 HB3 LEU 19 HB1 LEU 19 31.005 -7.477 -3.734 165 HG LEU 19 HG LEU 19 29.866 -5.413 -4.629 166 HD11 LEU 19 HD11 LEU 19 29.202 -8.095 -5.021 167 HD12 LEU 19 HD12 LEU 19 28.711 -6.746 -6.042 168 HD13 LEU 19 HD13 LEU 19 27.647 -7.309 -4.755 169 HD21 LEU 19 HD21 LEU 19 28.702 -5.009 -2.372 170 HD22 LEU 19 HD22 LEU 19 27.546 -6.239 -2.882 171 HD23 LEU 19 HD23 LEU 19 27.729 -4.760 -3.821 172 H ALA 20 HN ALA 20 30.690 -7.873 0.085 173 HA ALA 20 HA ALA 20 32.500 -10.069 -0.552 174 HB1 ALA 20 HB1 ALA 20 32.562 -7.838 1.199 175 HB2 ALA 20 HB2 ALA 20 33.820 -9.047 0.942 176 HB3 ALA 20 HB3 ALA 20 32.613 -9.286 2.204 177 H PHE 21 HN PHE 21 29.933 -9.356 1.803 178 HA PHE 21 HA PHE 21 29.935 -12.068 2.811 179 HB2 PHE 21 HB2 PHE 21 28.197 -9.656 3.344 180 HB3 PHE 21 HB1 PHE 21 27.922 -11.225 4.101 181 HD1 PHE 21 HD1 PHE 21 30.699 -8.781 3.467 182 HD2 PHE 21 HD2 PHE 21 28.994 -11.693 6.127 183 HE1 PHE 21 HE1 PHE 21 32.456 -8.280 5.141 184 HE2 PHE 21 HE2 PHE 21 30.752 -11.191 7.802 185 HZ PHE 21 HZ PHE 21 32.481 -9.484 7.307 186 H GLY 22 HN GLY 22 28.064 -10.126 0.560 187 HA2 GLY 22 HA2 GLY 22 25.852 -11.891 0.290 188 HA3 GLY 22 HA1 GLY 22 26.330 -10.651 -0.865 189 H PHE 23 HN PHE 23 28.771 -11.415 -1.709 190 HA PHE 23 HA PHE 23 28.333 -13.276 -3.678 191 HB2 PHE 23 HB2 PHE 23 30.295 -12.148 -4.046 192 HB3 PHE 23 HB1 PHE 23 30.764 -12.196 -2.346 193 HD1 PHE 23 HD2 PHE 23 30.694 -14.077 -5.519 194 HD2 PHE 23 HD1 PHE 23 31.910 -14.115 -1.399 195 HE1 PHE 23 HE2 PHE 23 32.124 -16.056 -5.957 196 HE2 PHE 23 HE1 PHE 23 33.337 -16.091 -1.838 197 HZ PHE 23 HZ PHE 23 33.445 -17.064 -4.118 198 H TRP 24 HN TRP 24 29.009 -13.807 -0.318 199 HA TRP 24 HA TRP 24 29.485 -16.668 -0.753 200 HB2 TRP 24 HB2 TRP 24 31.053 -15.722 0.764 201 HB3 TRP 24 HB1 TRP 24 29.787 -14.872 1.652 202 HD1 TRP 24 HD1 TRP 24 30.467 -18.548 0.665 203 HE1 TRP 24 HE1 TRP 24 29.916 -20.042 2.696 204 HE3 TRP 24 HE3 TRP 24 28.964 -14.990 3.981 205 HZ2 TRP 24 HZ2 TRP 24 28.962 -19.758 5.373 206 HZ3 TRP 24 HZ3 TRP 24 28.234 -15.620 6.269 207 HH2 TRP 24 HH2 TRP 24 28.233 -17.998 6.966 208 H LEU 25 HN LEU 25 27.707 -14.827 1.708 209 HA LEU 25 HA LEU 25 26.013 -16.437 2.849 210 HB2 LEU 25 HB2 LEU 25 25.537 -13.762 1.663 211 HB3 LEU 25 HB1 LEU 25 24.114 -14.656 2.200 212 HG LEU 25 HG LEU 25 26.537 -14.435 3.970 213 HD11 LEU 25 HD11 LEU 25 25.907 -12.133 3.310 214 HD12 LEU 25 HD12 LEU 25 25.535 -12.439 5.006 215 HD13 LEU 25 HD13 LEU 25 24.245 -12.454 3.804 216 HD21 LEU 25 HD21 LEU 25 25.162 -15.303 5.574 217 HD22 LEU 25 HD22 LEU 25 24.205 -15.851 4.198 218 HD23 LEU 25 HD23 LEU 25 23.775 -14.359 5.032 219 H PHE 26 HN PHE 26 25.107 -15.204 -0.379 220 HA PHE 26 HA PHE 26 22.968 -17.068 -0.666 221 HB2 PHE 26 HB2 PHE 26 24.335 -15.653 -2.943 222 HB3 PHE 26 HB1 PHE 26 22.638 -16.109 -2.791 223 HD1 PHE 26 HD1 PHE 26 21.611 -15.173 -0.401 224 HD2 PHE 26 HD2 PHE 26 24.722 -13.363 -2.745 225 HE1 PHE 26 HE1 PHE 26 21.098 -12.975 0.617 226 HE2 PHE 26 HE2 PHE 26 24.210 -11.163 -1.724 227 HZ PHE 26 HZ PHE 26 22.400 -10.969 -0.040 228 H LYS 27 HN LYS 27 25.948 -16.765 -2.600 229 HA LYS 27 HA LYS 27 25.810 -19.129 -3.983 230 HB2 LYS 27 HB2 LYS 27 28.333 -17.868 -2.911 231 HB3 LYS 27 HB1 LYS 27 28.204 -18.946 -4.302 232 HG2 LYS 27 HG2 LYS 27 26.563 -17.257 -5.291 233 HG3 LYS 27 HG1 LYS 27 27.070 -16.156 -4.012 234 HD2 LYS 27 HD2 LYS 27 28.730 -15.541 -5.415 235 HD3 LYS 27 HD1 LYS 27 29.476 -17.084 -5.000 236 HE2 LYS 27 HE2 LYS 27 27.770 -16.422 -7.401 237 HE3 LYS 27 HE1 LYS 27 29.402 -17.086 -7.370 238 HZ1 LYS 27 HZ1 LYS 27 27.474 -18.692 -5.961 239 HZ2 LYS 27 HZ2 LYS 27 28.635 -19.150 -7.115 240 HZ3 LYS 27 HZ3 LYS 27 27.134 -18.534 -7.616 241 H TYR 28 HN TYR 28 26.012 -18.905 -0.636 242 HA TYR 28 HA TYR 28 27.117 -21.651 -0.446 243 HB2 TYR 28 HB2 TYR 28 28.600 -20.756 0.979 244 HB3 TYR 28 HB1 TYR 28 27.719 -19.233 1.065 245 HD1 TYR 28 HD1 TYR 28 27.404 -22.796 2.193 246 HD2 TYR 28 HD2 TYR 28 26.696 -18.654 3.081 247 HE1 TYR 28 HE1 TYR 28 26.544 -23.422 4.435 248 HE2 TYR 28 HE2 TYR 28 25.833 -19.280 5.319 249 HH TYR 28 HH TYR 28 26.406 -21.836 6.858 250 H LEU 29 HN LEU 29 24.801 -19.370 1.019 251 HA LEU 29 HA LEU 29 23.387 -21.573 2.299 252 HB2 LEU 29 HB2 LEU 29 23.799 -19.057 3.126 253 HB3 LEU 29 HB1 LEU 29 22.263 -18.818 2.292 254 HG LEU 29 HG LEU 29 22.796 -20.890 4.445 255 HD11 LEU 29 HD11 LEU 29 21.147 -19.462 5.721 256 HD12 LEU 29 HD12 LEU 29 21.311 -18.251 4.450 257 HD13 LEU 29 HD13 LEU 29 22.708 -18.695 5.432 258 HD21 LEU 29 HD21 LEU 29 21.104 -21.844 3.150 259 HD22 LEU 29 HD22 LEU 29 20.466 -20.278 2.647 260 HD23 LEU 29 HD23 LEU 29 20.159 -20.873 4.280 261 H GLN 30 HN GLN 30 22.820 -19.178 -0.261 262 HA GLN 30 HA GLN 30 20.169 -20.131 -0.838 263 HB2 GLN 30 HB2 GLN 30 20.719 -17.834 -1.337 264 HB3 GLN 30 HB1 GLN 30 22.046 -18.336 -2.384 265 HG2 GLN 30 HG2 GLN 30 20.634 -19.086 -4.062 266 HG3 GLN 30 HG1 GLN 30 19.297 -19.371 -2.951 267 HE21 GLN 30 HE21 GLN 30 20.792 -16.320 -2.395 268 HE22 GLN 30 HE22 GLN 30 19.665 -15.371 -3.234 269 H LYS 31 HN LYS 31 23.284 -21.248 -1.536 270 HA LYS 31 HA LYS 31 22.332 -22.783 -3.878 271 HB2 LYS 31 HB2 LYS 31 24.974 -21.659 -3.098 272 HB3 LYS 31 HB1 LYS 31 24.970 -23.202 -3.952 273 HG2 LYS 31 HG2 LYS 31 25.099 -21.274 -5.516 274 HG3 LYS 31 HG1 LYS 31 23.638 -22.231 -5.762 275 HD2 LYS 31 HD2 LYS 31 22.256 -20.620 -4.782 276 HD3 LYS 31 HD1 LYS 31 23.586 -19.881 -3.889 277 HE2 LYS 31 HE2 LYS 31 24.266 -18.616 -5.677 278 HE3 LYS 31 HE1 LYS 31 23.806 -19.845 -6.854 279 HZ1 LYS 31 HZ1 LYS 31 21.599 -19.192 -6.797 280 HZ2 LYS 31 HZ2 LYS 31 22.426 -17.709 -6.716 281 HZ3 LYS 31 HZ3 LYS 31 21.756 -18.391 -5.310 282 H LYS 32 HN LYS 32 24.052 -23.004 -0.793 283 HA LYS 32 HA LYS 32 24.621 -24.817 0.516 284 HB2 LYS 32 HB2 LYS 32 21.847 -24.812 -0.006 285 HB3 LYS 32 HB1 LYS 32 22.368 -26.494 -0.120 286 HG2 LYS 32 HG2 LYS 32 23.453 -26.328 2.077 287 HG3 LYS 32 HG1 LYS 32 22.990 -24.630 2.190 288 HD2 LYS 32 HD2 LYS 32 20.832 -26.629 1.664 289 HD3 LYS 32 HD1 LYS 32 21.499 -26.545 3.295 290 HE2 LYS 32 HE2 LYS 32 20.738 -23.998 1.909 291 HE3 LYS 32 HE1 LYS 32 19.469 -24.999 2.614 292 HZ1 LYS 32 HZ1 LYS 32 20.858 -25.001 4.692 293 HZ2 LYS 32 HZ2 LYS 32 20.146 -23.513 4.287 294 HZ3 LYS 32 HZ3 LYS 32 21.796 -23.779 3.982 Start of MODEL 6 1 H1 LYS 1 HT1 LYS 1 22.707 16.768 1.445 2 H2 LYS 1 HT2 LYS 1 22.682 18.466 1.495 3 H3 LYS 1 HT3 LYS 1 24.163 17.637 1.395 4 HA LYS 1 HA LYS 1 22.339 18.393 -0.688 5 HB2 LYS 1 HB2 LYS 1 25.228 17.519 -0.478 6 HB3 LYS 1 HB1 LYS 1 24.465 17.909 -2.020 7 HG2 LYS 1 HG2 LYS 1 24.157 19.873 0.208 8 HG3 LYS 1 HG1 LYS 1 25.731 19.772 -0.585 9 HD2 LYS 1 HD2 LYS 1 23.259 19.907 -2.278 10 HD3 LYS 1 HD1 LYS 1 23.873 21.387 -1.539 11 HE2 LYS 1 HE2 LYS 1 25.814 21.372 -2.788 12 HE3 LYS 1 HE1 LYS 1 25.833 19.614 -2.930 13 HZ1 LYS 1 HZ1 LYS 1 24.523 19.655 -4.739 14 HZ2 LYS 1 HZ2 LYS 1 25.103 21.244 -4.900 15 HZ3 LYS 1 HZ3 LYS 1 23.589 20.958 -4.184 16 H LYS 2 HN LYS 2 24.588 15.653 -0.688 17 HA LYS 2 HA LYS 2 22.836 14.101 -2.355 18 HB2 LYS 2 HB2 LYS 2 24.587 12.353 -2.120 19 HB3 LYS 2 HB1 LYS 2 25.252 13.912 -2.609 20 HG2 LYS 2 HG2 LYS 2 26.565 13.956 -0.786 21 HG3 LYS 2 HG1 LYS 2 25.156 13.800 0.262 22 HD2 LYS 2 HD2 LYS 2 25.218 11.380 0.080 23 HD3 LYS 2 HD1 LYS 2 26.511 11.466 -1.117 24 HE2 LYS 2 HE2 LYS 2 27.267 12.959 1.231 25 HE3 LYS 2 HE1 LYS 2 26.789 11.326 1.694 26 HZ1 LYS 2 HZ1 LYS 2 29.157 11.526 1.089 27 HZ2 LYS 2 HZ2 LYS 2 28.699 11.957 -0.490 28 HZ3 LYS 2 HZ3 LYS 2 28.318 10.417 0.119 29 H HIS 3 HN HIS 3 23.189 11.523 -1.346 30 HA HIS 3 HA HIS 3 20.974 11.155 0.267 31 HB2 HIS 3 HB2 HIS 3 22.326 9.410 -1.032 32 HB3 HIS 3 HB1 HIS 3 23.381 9.340 0.379 33 HD2 HIS 3 HD2 HIS 3 22.393 6.733 1.062 34 HE1 HIS 3 HE1 HIS 3 18.487 8.028 2.002 35 HE2 HIS 3 HE2 HIS 3 20.101 6.073 2.125 36 H THR 4 HN THR 4 21.423 9.756 2.472 37 HA THR 4 HA THR 4 22.123 11.732 4.404 38 HB THR 4 HB THR 4 20.433 10.152 4.998 39 HG1 THR 4 HG1 THR 4 22.748 10.331 6.357 40 HG21 THR 4 HG21 THR 4 22.245 8.304 3.687 41 HG22 THR 4 HG22 THR 4 20.529 8.115 4.044 42 HG23 THR 4 HG23 THR 4 21.734 7.682 5.256 43 H ILE 5 HN ILE 5 23.302 8.813 5.509 44 HA ILE 5 HA ILE 5 26.094 9.710 5.140 45 HB ILE 5 HB ILE 5 26.445 8.184 7.193 46 HG12 ILE 5 HG12 ILE 5 23.675 8.812 7.996 47 HG13 ILE 5 HG11 ILE 5 23.811 7.564 6.757 48 HG21 ILE 5 HG21 ILE 5 26.622 10.623 7.284 49 HG22 ILE 5 HG22 ILE 5 25.767 10.037 8.711 50 HG23 ILE 5 HG23 ILE 5 24.866 10.767 7.382 51 HD11 ILE 5 HD11 ILE 5 25.169 6.192 8.125 52 HD12 ILE 5 HD12 ILE 5 23.912 6.788 9.209 53 HD13 ILE 5 HD13 ILE 5 25.519 7.512 9.241 54 H TRP 6 HN TRP 6 23.818 7.186 4.589 55 HA TRP 6 HA TRP 6 25.278 4.884 4.431 56 HB2 TRP 6 HB2 TRP 6 22.878 5.903 3.214 57 HB3 TRP 6 HB1 TRP 6 23.786 4.956 2.036 58 HD1 TRP 6 HD1 TRP 6 22.609 2.689 2.047 59 HE1 TRP 6 HE1 TRP 6 22.036 0.932 3.838 60 HE3 TRP 6 HE3 TRP 6 23.888 5.281 6.249 61 HZ2 TRP 6 HZ2 TRP 6 22.112 0.663 6.679 62 HZ3 TRP 6 HZ3 TRP 6 23.629 4.251 8.488 63 HH2 TRP 6 HH2 TRP 6 22.742 1.947 8.710 64 H GLU 7 HN GLU 7 24.946 7.197 1.725 65 HA GLU 7 HA GLU 7 26.810 5.982 0.031 66 HB2 GLU 7 HB2 GLU 7 25.639 8.705 0.288 67 HB3 GLU 7 HB1 GLU 7 27.045 8.505 -0.758 68 HG2 GLU 7 HG2 GLU 7 24.619 6.711 -0.939 69 HG3 GLU 7 HG1 GLU 7 24.767 8.196 -1.876 70 H VAL 8 HN VAL 8 27.375 7.398 3.012 71 HA VAL 8 HA VAL 8 30.138 8.153 2.328 72 HB VAL 8 HB VAL 8 28.797 8.640 4.980 73 HG11 VAL 8 HG11 VAL 8 30.513 10.253 5.274 74 HG12 VAL 8 HG12 VAL 8 30.933 10.233 3.561 75 HG13 VAL 8 HG13 VAL 8 31.327 8.850 4.582 76 HG21 VAL 8 HG21 VAL 8 27.387 9.623 3.194 77 HG22 VAL 8 HG22 VAL 8 28.805 10.433 2.529 78 HG23 VAL 8 HG23 VAL 8 28.203 10.879 4.124 79 H ILE 9 HN ILE 9 28.223 6.044 4.418 80 HA ILE 9 HA ILE 9 30.700 4.655 5.210 81 HB ILE 9 HB ILE 9 29.820 5.330 7.219 82 HG12 ILE 9 HG12 ILE 9 29.623 2.653 6.806 83 HG13 ILE 9 HG11 ILE 9 29.266 3.429 8.335 84 HG21 ILE 9 HG21 ILE 9 27.937 6.532 6.480 85 HG22 ILE 9 HG22 ILE 9 27.321 5.384 7.661 86 HG23 ILE 9 HG23 ILE 9 27.108 5.076 5.934 87 HD11 ILE 9 HD11 ILE 9 26.925 3.380 7.963 88 HD12 ILE 9 HD12 ILE 9 27.499 1.796 7.448 89 HD13 ILE 9 HD13 ILE 9 27.117 3.023 6.250 90 H ALA 10 HN ALA 10 27.317 4.185 4.251 91 HA ALA 10 HA ALA 10 27.556 1.354 3.925 92 HB1 ALA 10 HB1 ALA 10 25.569 3.222 2.612 93 HB2 ALA 10 HB2 ALA 10 25.388 2.565 4.240 94 HB3 ALA 10 HB3 ALA 10 25.395 1.483 2.848 95 H GLY 11 HN GLY 11 27.010 3.840 1.411 96 HA2 GLY 11 HA2 GLY 11 27.703 2.302 -0.788 97 HA3 GLY 11 HA1 GLY 11 27.907 4.053 -0.708 98 H LEU 12 HN LEU 12 29.624 3.335 1.792 99 HA LEU 12 HA LEU 12 32.117 3.031 0.276 100 HB2 LEU 12 HB2 LEU 12 31.715 5.039 1.807 101 HB3 LEU 12 HB1 LEU 12 31.866 3.905 3.152 102 HG LEU 12 HG LEU 12 34.057 3.210 1.726 103 HD11 LEU 12 HD11 LEU 12 33.929 6.211 1.393 104 HD12 LEU 12 HD12 LEU 12 33.431 5.112 0.106 105 HD13 LEU 12 HD13 LEU 12 35.092 5.084 0.697 106 HD21 LEU 12 HD21 LEU 12 33.825 5.506 3.699 107 HD22 LEU 12 HD22 LEU 12 35.326 4.674 3.294 108 HD23 LEU 12 HD23 LEU 12 34.026 3.802 4.106 109 H VAL 13 HN VAL 13 30.112 1.558 2.710 110 HA VAL 13 HA VAL 13 32.152 -0.555 3.110 111 HB VAL 13 HB VAL 13 29.899 0.264 4.959 112 HG11 VAL 13 HG11 VAL 13 31.987 -1.917 5.046 113 HG12 VAL 13 HG12 VAL 13 30.242 -2.066 5.253 114 HG13 VAL 13 HG13 VAL 13 31.218 -1.310 6.512 115 HG21 VAL 13 HG21 VAL 13 31.495 1.355 6.265 116 HG22 VAL 13 HG22 VAL 13 32.103 1.699 4.646 117 HG23 VAL 13 HG23 VAL 13 32.828 0.408 5.605 118 H ALA 14 HN ALA 14 28.610 -0.080 3.104 119 HA ALA 14 HA ALA 14 27.748 -2.662 2.894 120 HB1 ALA 14 HB1 ALA 14 25.857 -1.792 1.524 121 HB2 ALA 14 HB2 ALA 14 26.723 -0.266 1.349 122 HB3 ALA 14 HB3 ALA 14 26.184 -0.797 2.943 123 H LEU 15 HN LEU 15 28.889 -0.614 0.211 124 HA LEU 15 HA LEU 15 28.578 -2.592 -1.791 125 HB2 LEU 15 HB2 LEU 15 28.860 -0.161 -2.266 126 HB3 LEU 15 HB1 LEU 15 30.532 -0.276 -1.723 127 HG LEU 15 HG LEU 15 30.977 -1.966 -3.489 128 HD11 LEU 15 HD11 LEU 15 29.042 -1.856 -5.333 129 HD12 LEU 15 HD12 LEU 15 28.039 -1.604 -3.906 130 HD13 LEU 15 HD13 LEU 15 29.021 -3.062 -4.047 131 HD21 LEU 15 HD21 LEU 15 29.891 0.019 -5.261 132 HD22 LEU 15 HD22 LEU 15 31.568 -0.208 -4.764 133 HD23 LEU 15 HD23 LEU 15 30.496 0.816 -3.809 134 H LEU 16 HN LEU 16 31.082 -1.868 0.529 135 HA LEU 16 HA LEU 16 32.903 -3.836 -0.645 136 HB2 LEU 16 HB2 LEU 16 33.353 -2.227 1.865 137 HB3 LEU 16 HB1 LEU 16 34.558 -2.979 0.818 138 HG LEU 16 HG LEU 16 32.770 -0.634 0.125 139 HD11 LEU 16 HD11 LEU 16 34.746 0.667 0.137 140 HD12 LEU 16 HD12 LEU 16 35.786 -0.758 0.097 141 HD13 LEU 16 HD13 LEU 16 34.900 -0.353 1.568 142 HD21 LEU 16 HD21 LEU 16 34.279 -0.705 -1.992 143 HD22 LEU 16 HD22 LEU 16 32.932 -1.838 -1.892 144 HD23 LEU 16 HD23 LEU 16 34.571 -2.385 -1.541 145 H THR 17 HN THR 17 30.259 -4.011 1.208 146 HA THR 17 HA THR 17 31.310 -6.272 2.800 147 HB THR 17 HB THR 17 29.475 -4.047 3.573 148 HG1 THR 17 HG1 THR 17 31.748 -5.337 4.467 149 HG21 THR 17 HG21 THR 17 29.285 -6.917 4.480 150 HG22 THR 17 HG22 THR 17 27.981 -5.831 3.994 151 HG23 THR 17 HG23 THR 17 28.805 -5.588 5.534 152 H PHE 18 HN PHE 18 28.194 -4.917 1.706 153 HA PHE 18 HA PHE 18 26.606 -7.112 1.709 154 HB2 PHE 18 HB2 PHE 18 26.215 -4.682 0.768 155 HB3 PHE 18 HB1 PHE 18 26.586 -5.446 -0.778 156 HD1 PHE 18 HD2 PHE 18 24.442 -5.830 2.265 157 HD2 PHE 18 HD1 PHE 18 24.933 -6.673 -1.919 158 HE1 PHE 18 HE2 PHE 18 22.151 -6.776 2.187 159 HE2 PHE 18 HE1 PHE 18 22.641 -7.619 -1.996 160 HZ PHE 18 HZ PHE 18 21.250 -7.669 0.057 161 H LEU 19 HN LEU 19 28.847 -6.253 -0.928 162 HA LEU 19 HA LEU 19 28.333 -8.637 -2.428 163 HB2 LEU 19 HB2 LEU 19 30.415 -6.468 -2.545 164 HB3 LEU 19 HB1 LEU 19 30.566 -7.906 -3.551 165 HG LEU 19 HG LEU 19 29.374 -5.970 -4.663 166 HD11 LEU 19 HD11 LEU 19 28.763 -8.709 -4.724 167 HD12 LEU 19 HD12 LEU 19 28.295 -7.503 -5.919 168 HD13 LEU 19 HD13 LEU 19 27.200 -7.904 -4.597 169 HD21 LEU 19 HD21 LEU 19 27.102 -6.670 -2.796 170 HD22 LEU 19 HD22 LEU 19 27.202 -5.319 -3.924 171 HD23 LEU 19 HD23 LEU 19 28.208 -5.335 -2.476 172 H ALA 20 HN ALA 20 31.109 -7.582 -0.444 173 HA ALA 20 HA ALA 20 32.759 -9.744 -0.639 174 HB1 ALA 20 HB1 ALA 20 33.237 -7.737 0.726 175 HB2 ALA 20 HB2 ALA 20 33.557 -9.229 1.609 176 HB3 ALA 20 HB3 ALA 20 32.091 -8.306 1.938 177 H PHE 21 HN PHE 21 30.118 -9.446 1.755 178 HA PHE 21 HA PHE 21 30.371 -12.229 2.500 179 HB2 PHE 21 HB2 PHE 21 28.432 -10.054 3.293 180 HB3 PHE 21 HB1 PHE 21 28.349 -11.702 3.916 181 HD1 PHE 21 HD1 PHE 21 30.548 -8.710 3.650 182 HD2 PHE 21 HD2 PHE 21 29.819 -12.451 5.629 183 HE1 PHE 21 HE1 PHE 21 32.307 -8.172 5.313 184 HE2 PHE 21 HE2 PHE 21 31.578 -11.913 7.292 185 HZ PHE 21 HZ PHE 21 32.821 -9.773 7.134 186 H GLY 22 HN GLY 22 28.153 -10.236 0.600 187 HA2 GLY 22 HA2 GLY 22 26.072 -12.036 0.195 188 HA3 GLY 22 HA1 GLY 22 26.573 -10.816 -0.972 189 H PHE 23 HN PHE 23 29.085 -11.664 -1.667 190 HA PHE 23 HA PHE 23 28.628 -13.543 -3.648 191 HB2 PHE 23 HB2 PHE 23 30.930 -12.190 -2.523 192 HB3 PHE 23 HB1 PHE 23 31.329 -13.845 -2.975 193 HD1 PHE 23 HD1 PHE 23 30.160 -14.602 -5.300 194 HD2 PHE 23 HD2 PHE 23 31.170 -10.575 -4.193 195 HE1 PHE 23 HE1 PHE 23 30.193 -13.952 -7.691 196 HE2 PHE 23 HE2 PHE 23 31.205 -9.927 -6.584 197 HZ PHE 23 HZ PHE 23 30.715 -11.615 -8.334 198 H TRP 24 HN TRP 24 28.996 -14.018 -0.293 199 HA TRP 24 HA TRP 24 29.538 -16.890 -0.653 200 HB2 TRP 24 HB2 TRP 24 31.107 -15.925 0.865 201 HB3 TRP 24 HB1 TRP 24 29.833 -15.070 1.737 202 HD1 TRP 24 HD1 TRP 24 30.451 -18.753 0.738 203 HE1 TRP 24 HE1 TRP 24 29.885 -20.244 2.768 204 HE3 TRP 24 HE3 TRP 24 29.055 -15.176 4.079 205 HZ2 TRP 24 HZ2 TRP 24 28.959 -19.947 5.454 206 HZ3 TRP 24 HZ3 TRP 24 28.334 -15.798 6.371 207 HH2 TRP 24 HH2 TRP 24 28.284 -18.178 7.060 208 H LEU 25 HN LEU 25 27.819 -15.010 1.811 209 HA LEU 25 HA LEU 25 26.046 -16.570 2.903 210 HB2 LEU 25 HB2 LEU 25 25.713 -13.846 1.796 211 HB3 LEU 25 HB1 LEU 25 24.234 -14.685 2.267 212 HG LEU 25 HG LEU 25 26.621 -14.642 4.100 213 HD11 LEU 25 HD11 LEU 25 25.682 -12.641 5.185 214 HD12 LEU 25 HD12 LEU 25 24.427 -12.553 3.950 215 HD13 LEU 25 HD13 LEU 25 26.114 -12.293 3.510 216 HD21 LEU 25 HD21 LEU 25 23.845 -14.475 5.105 217 HD22 LEU 25 HD22 LEU 25 25.172 -15.508 5.636 218 HD23 LEU 25 HD23 LEU 25 24.220 -15.954 4.222 219 H PHE 26 HN PHE 26 25.226 -15.239 -0.314 220 HA PHE 26 HA PHE 26 23.037 -17.062 -0.641 221 HB2 PHE 26 HB2 PHE 26 24.387 -15.575 -2.882 222 HB3 PHE 26 HB1 PHE 26 22.686 -16.011 -2.717 223 HD1 PHE 26 HD1 PHE 26 21.737 -15.156 -0.251 224 HD2 PHE 26 HD2 PHE 26 24.786 -13.289 -2.636 225 HE1 PHE 26 HE1 PHE 26 21.276 -12.988 0.855 226 HE2 PHE 26 HE2 PHE 26 24.324 -11.121 -1.528 227 HZ PHE 26 HZ PHE 26 22.573 -10.972 0.219 228 H LYS 27 HN LYS 27 26.063 -16.712 -2.498 229 HA LYS 27 HA LYS 27 25.892 -19.021 -3.992 230 HB2 LYS 27 HB2 LYS 27 28.499 -18.009 -2.856 231 HB3 LYS 27 HB1 LYS 27 28.224 -18.815 -4.399 232 HG2 LYS 27 HG2 LYS 27 27.294 -16.039 -3.602 233 HG3 LYS 27 HG1 LYS 27 28.484 -16.450 -4.838 234 HD2 LYS 27 HD2 LYS 27 26.548 -17.831 -5.904 235 HD3 LYS 27 HD1 LYS 27 25.501 -16.839 -4.887 236 HE2 LYS 27 HE2 LYS 27 27.094 -14.910 -5.934 237 HE3 LYS 27 HE1 LYS 27 27.106 -16.072 -7.262 238 HZ1 LYS 27 HZ1 LYS 27 24.815 -15.952 -7.495 239 HZ2 LYS 27 HZ2 LYS 27 25.249 -14.338 -7.188 240 HZ3 LYS 27 HZ3 LYS 27 24.581 -15.291 -5.951 241 H TYR 28 HN TYR 28 26.025 -18.917 -0.639 242 HA TYR 28 HA TYR 28 27.099 -21.680 -0.519 243 HB2 TYR 28 HB2 TYR 28 28.564 -20.849 0.966 244 HB3 TYR 28 HB1 TYR 28 27.694 -19.325 1.098 245 HD1 TYR 28 HD1 TYR 28 27.343 -22.928 2.074 246 HD2 TYR 28 HD2 TYR 28 26.618 -18.823 3.109 247 HE1 TYR 28 HE1 TYR 28 26.430 -23.641 4.269 248 HE2 TYR 28 HE2 TYR 28 25.706 -19.534 5.301 249 HH TYR 28 HH TYR 28 24.845 -22.713 5.988 250 H LEU 29 HN LEU 29 24.778 -19.427 0.977 251 HA LEU 29 HA LEU 29 23.322 -21.653 2.161 252 HB2 LEU 29 HB2 LEU 29 23.755 -19.173 3.077 253 HB3 LEU 29 HB1 LEU 29 22.234 -18.887 2.235 254 HG LEU 29 HG LEU 29 22.709 -21.042 4.316 255 HD11 LEU 29 HD11 LEU 29 21.311 -18.359 4.412 256 HD12 LEU 29 HD12 LEU 29 22.658 -18.908 5.409 257 HD13 LEU 29 HD13 LEU 29 21.059 -19.619 5.621 258 HD21 LEU 29 HD21 LEU 29 20.415 -20.329 2.517 259 HD22 LEU 29 HD22 LEU 29 20.066 -20.935 4.136 260 HD23 LEU 29 HD23 LEU 29 20.997 -21.920 3.009 261 H GLN 30 HN GLN 30 22.895 -19.237 -0.375 262 HA GLN 30 HA GLN 30 20.215 -20.128 -1.006 263 HB2 GLN 30 HB2 GLN 30 20.793 -17.795 -1.339 264 HB3 GLN 30 HB1 GLN 30 22.101 -18.242 -2.430 265 HG2 GLN 30 HG2 GLN 30 20.689 -18.750 -4.159 266 HG3 GLN 30 HG1 GLN 30 19.398 -19.290 -3.088 267 HE21 GLN 30 HE21 GLN 30 20.831 -16.201 -2.324 268 HE22 GLN 30 HE22 GLN 30 19.560 -15.243 -2.915 269 H LYS 31 HN LYS 31 23.353 -21.184 -1.739 270 HA LYS 31 HA LYS 31 22.389 -22.641 -4.131 271 HB2 LYS 31 HB2 LYS 31 25.004 -21.384 -3.457 272 HB3 LYS 31 HB1 LYS 31 25.027 -22.872 -4.401 273 HG2 LYS 31 HG2 LYS 31 24.936 -20.837 -5.838 274 HG3 LYS 31 HG1 LYS 31 23.535 -21.884 -6.062 275 HD2 LYS 31 HD2 LYS 31 22.094 -20.418 -5.010 276 HD3 LYS 31 HD1 LYS 31 23.360 -19.741 -3.985 277 HE2 LYS 31 HE2 LYS 31 24.322 -18.576 -5.934 278 HE3 LYS 31 HE1 LYS 31 23.065 -19.260 -6.966 279 HZ1 LYS 31 HZ1 LYS 31 22.615 -16.965 -6.161 280 HZ2 LYS 31 HZ2 LYS 31 22.504 -17.585 -4.583 281 HZ3 LYS 31 HZ3 LYS 31 21.401 -18.085 -5.776 282 H LYS 32 HN LYS 32 24.387 -22.868 -1.206 283 HA LYS 32 HA LYS 32 25.259 -24.717 -0.114 284 HB2 LYS 32 HB2 LYS 32 22.727 -26.196 -0.512 285 HB3 LYS 32 HB1 LYS 32 23.586 -25.801 0.975 286 HG2 LYS 32 HG2 LYS 32 22.842 -23.414 0.688 287 HG3 LYS 32 HG1 LYS 32 21.842 -23.943 -0.665 288 HD2 LYS 32 HD2 LYS 32 21.309 -25.718 1.485 289 HD3 LYS 32 HD1 LYS 32 21.264 -24.086 2.149 290 HE2 LYS 32 HE2 LYS 32 19.048 -24.762 1.286 291 HE3 LYS 32 HE1 LYS 32 19.697 -23.399 0.376 292 HZ1 LYS 32 HZ1 LYS 32 18.792 -25.097 -1.087 293 HZ2 LYS 32 HZ2 LYS 32 19.857 -26.251 -0.437 294 HZ3 LYS 32 HZ3 LYS 32 20.464 -24.931 -1.317 Start of MODEL 7 1 H1 LYS 1 HT1 LYS 1 23.192 17.920 -3.415 2 H2 LYS 1 HT2 LYS 1 23.241 16.742 -2.193 3 H3 LYS 1 HT3 LYS 1 21.771 17.115 -2.961 4 HA LYS 1 HA LYS 1 22.130 15.606 -4.516 5 HB2 LYS 1 HB2 LYS 1 24.803 17.001 -4.836 6 HB3 LYS 1 HB1 LYS 1 24.177 15.781 -5.944 7 HG2 LYS 1 HG2 LYS 1 22.155 17.779 -5.468 8 HG3 LYS 1 HG1 LYS 1 23.650 18.561 -5.981 9 HD2 LYS 1 HD2 LYS 1 23.779 17.085 -7.936 10 HD3 LYS 1 HD1 LYS 1 22.320 16.241 -7.412 11 HE2 LYS 1 HE2 LYS 1 22.314 19.224 -7.856 12 HE3 LYS 1 HE1 LYS 1 22.057 18.104 -9.194 13 HZ1 LYS 1 HZ1 LYS 1 20.222 18.937 -7.247 14 HZ2 LYS 1 HZ2 LYS 1 20.475 17.268 -7.053 15 HZ3 LYS 1 HZ3 LYS 1 19.966 17.884 -8.552 16 H LYS 2 HN LYS 2 22.834 15.093 -1.747 17 HA LYS 2 HA LYS 2 24.504 12.724 -2.182 18 HB2 LYS 2 HB2 LYS 2 25.484 15.056 -0.910 19 HB3 LYS 2 HB1 LYS 2 25.201 13.867 0.361 20 HG2 LYS 2 HG2 LYS 2 26.761 13.331 -2.187 21 HG3 LYS 2 HG1 LYS 2 27.484 13.681 -0.617 22 HD2 LYS 2 HD2 LYS 2 25.541 11.609 -0.261 23 HD3 LYS 2 HD1 LYS 2 26.590 11.161 -1.606 24 HE2 LYS 2 HE2 LYS 2 27.475 10.399 0.602 25 HE3 LYS 2 HE1 LYS 2 28.573 11.499 -0.231 26 HZ1 LYS 2 HZ1 LYS 2 28.451 12.892 1.465 27 HZ2 LYS 2 HZ2 LYS 2 27.466 11.791 2.303 28 HZ3 LYS 2 HZ3 LYS 2 26.765 12.988 1.324 29 H HIS 3 HN HIS 3 23.716 10.989 -1.156 30 HA HIS 3 HA HIS 3 21.228 11.052 0.164 31 HB2 HIS 3 HB2 HIS 3 22.312 9.077 -1.017 32 HB3 HIS 3 HB1 HIS 3 23.289 8.861 0.436 33 HD2 HIS 3 HD2 HIS 3 21.842 6.455 1.073 34 HE1 HIS 3 HE1 HIS 3 18.204 8.421 1.915 35 HE2 HIS 3 HE2 HIS 3 19.444 6.211 2.077 36 H THR 4 HN THR 4 21.209 9.678 2.409 37 HA THR 4 HA THR 4 21.906 11.487 4.416 38 HB THR 4 HB THR 4 20.231 9.865 4.900 39 HG1 THR 4 HG1 THR 4 22.172 10.303 6.463 40 HG21 THR 4 HG21 THR 4 21.545 7.402 5.128 41 HG22 THR 4 HG22 THR 4 22.120 8.080 3.605 42 HG23 THR 4 HG23 THR 4 20.391 7.867 3.879 43 H ILE 5 HN ILE 5 23.109 8.516 5.424 44 HA ILE 5 HA ILE 5 25.888 9.513 5.261 45 HB ILE 5 HB ILE 5 26.179 7.910 7.267 46 HG12 ILE 5 HG12 ILE 5 23.368 8.442 7.981 47 HG13 ILE 5 HG11 ILE 5 23.572 7.264 6.682 48 HG21 ILE 5 HG21 ILE 5 26.304 10.338 7.477 49 HG22 ILE 5 HG22 ILE 5 25.365 9.688 8.821 50 HG23 ILE 5 HG23 ILE 5 24.544 10.456 7.462 51 HD11 ILE 5 HD11 ILE 5 24.939 5.861 8.027 52 HD12 ILE 5 HD12 ILE 5 23.593 6.331 9.064 53 HD13 ILE 5 HD13 ILE 5 25.160 7.118 9.243 54 H TRP 6 HN TRP 6 23.713 6.918 4.556 55 HA TRP 6 HA TRP 6 25.252 4.682 4.338 56 HB2 TRP 6 HB2 TRP 6 22.885 5.700 3.034 57 HB3 TRP 6 HB1 TRP 6 23.875 4.803 1.884 58 HD1 TRP 6 HD1 TRP 6 22.734 2.518 1.771 59 HE1 TRP 6 HE1 TRP 6 22.104 0.701 3.481 60 HE3 TRP 6 HE3 TRP 6 23.761 5.007 6.101 61 HZ2 TRP 6 HZ2 TRP 6 22.044 0.352 6.314 62 HZ3 TRP 6 HZ3 TRP 6 23.408 3.910 8.296 63 HH2 TRP 6 HH2 TRP 6 22.551 1.587 8.409 64 H GLU 7 HN GLU 7 24.849 6.901 1.570 65 HA GLU 7 HA GLU 7 26.852 5.923 -0.039 66 HB2 GLU 7 HB2 GLU 7 25.672 8.643 0.340 67 HB3 GLU 7 HB1 GLU 7 27.052 8.446 -0.739 68 HG2 GLU 7 HG2 GLU 7 24.570 6.728 -0.925 69 HG3 GLU 7 HG1 GLU 7 24.764 8.225 -1.836 70 H VAL 8 HN VAL 8 27.246 7.379 3.012 71 HA VAL 8 HA VAL 8 30.024 8.149 2.447 72 HB VAL 8 HB VAL 8 28.633 8.531 5.087 73 HG11 VAL 8 HG11 VAL 8 30.250 10.308 5.339 74 HG12 VAL 8 HG12 VAL 8 30.775 10.130 3.664 75 HG13 VAL 8 HG13 VAL 8 31.116 8.857 4.834 76 HG21 VAL 8 HG21 VAL 8 28.575 10.373 2.672 77 HG22 VAL 8 HG22 VAL 8 27.954 10.766 4.276 78 HG23 VAL 8 HG23 VAL 8 27.187 9.499 3.318 79 H ILE 9 HN ILE 9 28.116 5.959 4.475 80 HA ILE 9 HA ILE 9 30.611 4.610 5.275 81 HB ILE 9 HB ILE 9 29.653 5.216 7.275 82 HG12 ILE 9 HG12 ILE 9 29.581 2.544 6.797 83 HG13 ILE 9 HG11 ILE 9 29.151 3.268 8.333 84 HG21 ILE 9 HG21 ILE 9 27.145 5.155 7.651 85 HG22 ILE 9 HG22 ILE 9 26.990 4.880 5.913 86 HG23 ILE 9 HG23 ILE 9 27.742 6.356 6.514 87 HD11 ILE 9 HD11 ILE 9 27.481 1.583 7.364 88 HD12 ILE 9 HD12 ILE 9 27.077 2.820 6.181 89 HD13 ILE 9 HD13 ILE 9 26.824 3.130 7.894 90 H ALA 10 HN ALA 10 27.272 4.071 4.206 91 HA ALA 10 HA ALA 10 27.590 1.254 3.837 92 HB1 ALA 10 HB1 ALA 10 25.385 2.357 4.110 93 HB2 ALA 10 HB2 ALA 10 25.467 1.375 2.648 94 HB3 ALA 10 HB3 ALA 10 25.601 3.132 2.539 95 H GLY 11 HN GLY 11 27.066 3.766 1.346 96 HA2 GLY 11 HA2 GLY 11 27.871 2.277 -0.849 97 HA3 GLY 11 HA1 GLY 11 28.025 4.030 -0.741 98 H LEU 12 HN LEU 12 29.671 3.326 1.805 99 HA LEU 12 HA LEU 12 32.225 3.113 0.376 100 HB2 LEU 12 HB2 LEU 12 31.705 5.077 1.935 101 HB3 LEU 12 HB1 LEU 12 31.854 3.919 3.256 102 HG LEU 12 HG LEU 12 34.113 3.307 1.966 103 HD11 LEU 12 HD11 LEU 12 35.067 5.047 0.746 104 HD12 LEU 12 HD12 LEU 12 34.044 6.272 1.499 105 HD13 LEU 12 HD13 LEU 12 33.374 5.194 0.275 106 HD21 LEU 12 HD21 LEU 12 35.268 4.917 3.483 107 HD22 LEU 12 HD22 LEU 12 33.980 4.035 4.302 108 HD23 LEU 12 HD23 LEU 12 33.718 5.703 3.791 109 H VAL 13 HN VAL 13 30.175 1.543 2.709 110 HA VAL 13 HA VAL 13 32.246 -0.535 3.122 111 HB VAL 13 HB VAL 13 29.958 0.215 4.959 112 HG11 VAL 13 HG11 VAL 13 32.120 -1.896 5.063 113 HG12 VAL 13 HG12 VAL 13 30.376 -2.116 5.207 114 HG13 VAL 13 HG13 VAL 13 31.277 -1.342 6.510 115 HG21 VAL 13 HG21 VAL 13 32.117 1.719 4.689 116 HG22 VAL 13 HG22 VAL 13 32.881 0.434 5.624 117 HG23 VAL 13 HG23 VAL 13 31.518 1.324 6.299 118 H ALA 14 HN ALA 14 28.694 -0.121 3.100 119 HA ALA 14 HA ALA 14 27.886 -2.717 2.845 120 HB1 ALA 14 HB1 ALA 14 25.950 -1.896 1.585 121 HB2 ALA 14 HB2 ALA 14 26.793 -0.384 1.250 122 HB3 ALA 14 HB3 ALA 14 26.337 -0.791 2.904 123 H LEU 15 HN LEU 15 29.164 -0.632 0.273 124 HA LEU 15 HA LEU 15 28.839 -2.562 -1.800 125 HB2 LEU 15 HB2 LEU 15 29.115 -0.115 -2.215 126 HB3 LEU 15 HB1 LEU 15 30.784 -0.241 -1.664 127 HG LEU 15 HG LEU 15 31.236 -1.901 -3.461 128 HD11 LEU 15 HD11 LEU 15 29.325 -1.731 -5.325 129 HD12 LEU 15 HD12 LEU 15 28.305 -1.501 -3.904 130 HD13 LEU 15 HD13 LEU 15 29.276 -2.965 -4.066 131 HD21 LEU 15 HD21 LEU 15 30.278 0.057 -5.268 132 HD22 LEU 15 HD22 LEU 15 31.893 -0.056 -4.568 133 HD23 LEU 15 HD23 LEU 15 30.651 0.907 -3.768 134 H LEU 16 HN LEU 16 31.337 -1.826 0.539 135 HA LEU 16 HA LEU 16 33.189 -3.754 -0.636 136 HB2 LEU 16 HB2 LEU 16 33.544 -2.250 1.954 137 HB3 LEU 16 HB1 LEU 16 34.789 -2.947 0.918 138 HG LEU 16 HG LEU 16 32.997 -0.597 0.249 139 HD11 LEU 16 HD11 LEU 16 36.015 -0.695 0.403 140 HD12 LEU 16 HD12 LEU 16 35.022 -0.307 1.809 141 HD13 LEU 16 HD13 LEU 16 34.970 0.727 0.380 142 HD21 LEU 16 HD21 LEU 16 33.283 -1.704 -1.808 143 HD22 LEU 16 HD22 LEU 16 34.907 -2.252 -1.393 144 HD23 LEU 16 HD23 LEU 16 34.622 -0.557 -1.788 145 H THR 17 HN THR 17 30.509 -3.940 1.218 146 HA THR 17 HA THR 17 31.506 -6.272 2.736 147 HB THR 17 HB THR 17 29.646 -4.072 3.500 148 HG1 THR 17 HG1 THR 17 31.262 -3.869 4.791 149 HG21 THR 17 HG21 THR 17 28.120 -5.857 3.797 150 HG22 THR 17 HG22 THR 17 28.869 -5.658 5.380 151 HG23 THR 17 HG23 THR 17 29.390 -6.964 4.318 152 H PHE 18 HN PHE 18 28.391 -4.930 1.620 153 HA PHE 18 HA PHE 18 26.896 -7.202 1.481 154 HB2 PHE 18 HB2 PHE 18 26.335 -4.750 0.786 155 HB3 PHE 18 HB1 PHE 18 26.805 -5.286 -0.829 156 HD1 PHE 18 HD1 PHE 18 24.457 -5.870 1.984 157 HD2 PHE 18 HD2 PHE 18 25.439 -6.813 -2.090 158 HE1 PHE 18 HE1 PHE 18 22.249 -6.960 1.703 159 HE2 PHE 18 HE2 PHE 18 23.231 -7.904 -2.370 160 HZ PHE 18 HZ PHE 18 21.635 -7.978 -0.473 161 H LEU 19 HN LEU 19 29.246 -6.094 -0.941 162 HA LEU 19 HA LEU 19 28.743 -8.272 -2.739 163 HB2 LEU 19 HB2 LEU 19 30.863 -6.146 -2.532 164 HB3 LEU 19 HB1 LEU 19 31.015 -7.454 -3.702 165 HG LEU 19 HG LEU 19 29.897 -5.376 -4.606 166 HD11 LEU 19 HD11 LEU 19 27.679 -7.258 -4.808 167 HD12 LEU 19 HD12 LEU 19 29.232 -8.066 -5.016 168 HD13 LEU 19 HD13 LEU 19 28.796 -6.712 -6.056 169 HD21 LEU 19 HD21 LEU 19 27.550 -6.223 -2.904 170 HD22 LEU 19 HD22 LEU 19 27.734 -4.743 -3.842 171 HD23 LEU 19 HD23 LEU 19 28.687 -4.984 -2.377 172 H ALA 20 HN ALA 20 30.675 -7.850 0.086 173 HA ALA 20 HA ALA 20 32.454 -10.070 -0.536 174 HB1 ALA 20 HB1 ALA 20 33.766 -9.084 0.986 175 HB2 ALA 20 HB2 ALA 20 32.531 -9.298 2.227 176 HB3 ALA 20 HB3 ALA 20 32.526 -7.851 1.219 177 H PHE 21 HN PHE 21 29.884 -9.344 1.817 178 HA PHE 21 HA PHE 21 29.846 -12.063 2.801 179 HB2 PHE 21 HB2 PHE 21 28.115 -9.645 3.326 180 HB3 PHE 21 HB1 PHE 21 27.823 -11.218 4.069 181 HD1 PHE 21 HD2 PHE 21 30.612 -8.777 3.489 182 HD2 PHE 21 HD1 PHE 21 28.873 -11.712 6.101 183 HE1 PHE 21 HE2 PHE 21 32.350 -8.292 5.191 184 HE2 PHE 21 HE1 PHE 21 30.611 -11.227 7.802 185 HZ PHE 21 HZ PHE 21 32.349 -9.517 7.345 186 H GLY 22 HN GLY 22 27.941 -10.063 0.613 187 HA2 GLY 22 HA2 GLY 22 25.744 -11.803 0.279 188 HA3 GLY 22 HA1 GLY 22 26.262 -10.580 -0.874 189 H PHE 23 HN PHE 23 28.663 -11.361 -1.732 190 HA PHE 23 HA PHE 23 28.235 -13.219 -3.685 191 HB2 PHE 23 HB2 PHE 23 30.231 -12.151 -4.016 192 HB3 PHE 23 HB1 PHE 23 30.659 -12.197 -2.306 193 HD1 PHE 23 HD1 PHE 23 30.603 -14.111 -5.461 194 HD2 PHE 23 HD2 PHE 23 31.765 -14.117 -1.326 195 HE1 PHE 23 HE1 PHE 23 32.002 -16.118 -5.856 196 HE2 PHE 23 HE2 PHE 23 33.164 -16.122 -1.721 197 HZ PHE 23 HZ PHE 23 33.285 -17.125 -3.987 198 H TRP 24 HN TRP 24 29.278 -13.803 -0.364 199 HA TRP 24 HA TRP 24 29.548 -16.660 -0.801 200 HB2 TRP 24 HB2 TRP 24 31.105 -15.749 0.736 201 HB3 TRP 24 HB1 TRP 24 29.846 -14.873 1.607 202 HD1 TRP 24 HD1 TRP 24 30.473 -18.577 0.666 203 HE1 TRP 24 HE1 TRP 24 29.907 -20.031 2.721 204 HE3 TRP 24 HE3 TRP 24 29.023 -14.945 3.927 205 HZ2 TRP 24 HZ2 TRP 24 28.964 -19.690 5.395 206 HZ3 TRP 24 HZ3 TRP 24 28.293 -15.529 6.228 207 HH2 TRP 24 HH2 TRP 24 28.262 -17.897 6.962 208 H LEU 25 HN LEU 25 27.710 -14.806 1.610 209 HA LEU 25 HA LEU 25 26.010 -16.423 2.737 210 HB2 LEU 25 HB2 LEU 25 25.528 -13.768 1.517 211 HB3 LEU 25 HB1 LEU 25 24.109 -14.668 2.048 212 HG LEU 25 HG LEU 25 26.514 -14.401 3.833 213 HD11 LEU 25 HD11 LEU 25 25.475 -12.414 4.850 214 HD12 LEU 25 HD12 LEU 25 24.195 -12.457 3.639 215 HD13 LEU 25 HD13 LEU 25 25.856 -12.116 3.153 216 HD21 LEU 25 HD21 LEU 25 23.767 -14.350 4.910 217 HD22 LEU 25 HD22 LEU 25 25.157 -15.306 5.423 218 HD23 LEU 25 HD23 LEU 25 24.180 -15.837 4.055 219 H PHE 26 HN PHE 26 25.204 -15.270 -0.552 220 HA PHE 26 HA PHE 26 23.037 -17.095 -0.826 221 HB2 PHE 26 HB2 PHE 26 24.483 -15.816 -3.130 222 HB3 PHE 26 HB1 PHE 26 22.772 -16.223 -2.990 223 HD1 PHE 26 HD1 PHE 26 21.746 -15.153 -0.638 224 HD2 PHE 26 HD2 PHE 26 24.902 -13.524 -3.055 225 HE1 PHE 26 HE1 PHE 26 21.274 -12.895 0.267 226 HE2 PHE 26 HE2 PHE 26 24.430 -11.267 -2.151 227 HZ PHE 26 HZ PHE 26 22.617 -10.952 -0.489 228 H LYS 27 HN LYS 27 26.073 -16.978 -2.711 229 HA LYS 27 HA LYS 27 25.816 -19.444 -3.940 230 HB2 LYS 27 HB2 LYS 27 28.262 -17.868 -3.166 231 HB3 LYS 27 HB1 LYS 27 28.352 -19.360 -4.105 232 HG2 LYS 27 HG2 LYS 27 27.155 -18.450 -5.909 233 HG3 LYS 27 HG1 LYS 27 26.477 -17.153 -4.925 234 HD2 LYS 27 HD2 LYS 27 28.336 -15.839 -5.134 235 HD3 LYS 27 HD1 LYS 27 29.439 -17.217 -5.134 236 HE2 LYS 27 HE2 LYS 27 29.116 -15.881 -7.351 237 HE3 LYS 27 HE1 LYS 27 29.103 -17.644 -7.421 238 HZ1 LYS 27 HZ1 LYS 27 26.526 -16.524 -6.848 239 HZ2 LYS 27 HZ2 LYS 27 26.974 -17.667 -8.021 240 HZ3 LYS 27 HZ3 LYS 27 27.140 -16.007 -8.341 241 H TYR 28 HN TYR 28 26.012 -19.025 -0.663 242 HA TYR 28 HA TYR 28 27.162 -21.733 -0.295 243 HB2 TYR 28 HB2 TYR 28 28.673 -20.721 1.029 244 HB3 TYR 28 HB1 TYR 28 27.756 -19.219 1.070 245 HD1 TYR 28 HD2 TYR 28 27.532 -22.740 2.347 246 HD2 TYR 28 HD1 TYR 28 26.786 -18.578 3.092 247 HE1 TYR 28 HE2 TYR 28 26.731 -23.291 4.630 248 HE2 TYR 28 HE1 TYR 28 25.980 -19.126 5.371 249 HH TYR 28 HH TYR 28 26.326 -20.989 7.040 250 H LEU 29 HN LEU 29 24.793 -19.365 0.883 251 HA LEU 29 HA LEU 29 23.398 -21.489 2.345 252 HB2 LEU 29 HB2 LEU 29 23.869 -18.969 3.097 253 HB3 LEU 29 HB1 LEU 29 22.348 -18.700 2.250 254 HG LEU 29 HG LEU 29 22.788 -20.744 4.448 255 HD11 LEU 29 HD11 LEU 29 21.464 -18.022 4.435 256 HD12 LEU 29 HD12 LEU 29 22.856 -18.529 5.393 257 HD13 LEU 29 HD13 LEU 29 21.260 -19.202 5.731 258 HD21 LEU 29 HD21 LEU 29 21.008 -21.631 3.255 259 HD22 LEU 29 HD22 LEU 29 20.499 -20.060 2.640 260 HD23 LEU 29 HD23 LEU 29 20.139 -20.513 4.305 261 H GLN 30 HN GLN 30 22.940 -19.272 -0.365 262 HA GLN 30 HA GLN 30 20.244 -20.211 -0.874 263 HB2 GLN 30 HB2 GLN 30 20.774 -17.901 -1.404 264 HB3 GLN 30 HB1 GLN 30 22.077 -18.413 -2.476 265 HG2 GLN 30 HG2 GLN 30 20.632 -19.166 -4.113 266 HG3 GLN 30 HG1 GLN 30 19.340 -19.506 -2.966 267 HE21 GLN 30 HE21 GLN 30 20.791 -16.401 -2.503 268 HE22 GLN 30 HE22 GLN 30 19.586 -15.490 -3.274 269 H LYS 31 HN LYS 31 23.320 -21.389 -1.473 270 HA LYS 31 HA LYS 31 22.364 -22.999 -3.767 271 HB2 LYS 31 HB2 LYS 31 24.975 -21.663 -3.235 272 HB3 LYS 31 HB1 LYS 31 25.016 -23.237 -4.026 273 HG2 LYS 31 HG2 LYS 31 24.905 -21.410 -5.684 274 HG3 LYS 31 HG1 LYS 31 23.464 -22.424 -5.754 275 HD2 LYS 31 HD2 LYS 31 22.098 -20.776 -4.947 276 HD3 LYS 31 HD1 LYS 31 23.347 -20.108 -3.896 277 HE2 LYS 31 HE2 LYS 31 24.449 -19.060 -5.800 278 HE3 LYS 31 HE1 LYS 31 23.313 -19.819 -6.915 279 HZ1 LYS 31 HZ1 LYS 31 22.839 -17.442 -6.264 280 HZ2 LYS 31 HZ2 LYS 31 22.426 -18.035 -4.727 281 HZ3 LYS 31 HZ3 LYS 31 21.553 -18.535 -6.095 282 H LYS 32 HN LYS 32 21.483 -24.296 -1.886 283 HA LYS 32 HA LYS 32 23.342 -26.451 -1.333 284 HB2 LYS 32 HB2 LYS 32 22.910 -26.394 1.122 285 HB3 LYS 32 HB1 LYS 32 23.836 -25.006 0.550 286 HG2 LYS 32 HG2 LYS 32 22.282 -23.663 1.467 287 HG3 LYS 32 HG1 LYS 32 21.121 -24.277 0.289 288 HD2 LYS 32 HD2 LYS 32 20.617 -26.176 1.820 289 HD3 LYS 32 HD1 LYS 32 21.707 -25.470 3.014 290 HE2 LYS 32 HE2 LYS 32 20.061 -24.119 3.735 291 HE3 LYS 32 HE1 LYS 32 19.912 -23.426 2.121 292 HZ1 LYS 32 HZ1 LYS 32 18.615 -25.584 1.631 293 HZ2 LYS 32 HZ2 LYS 32 17.840 -24.327 2.472 294 HZ3 LYS 32 HZ3 LYS 32 18.436 -25.675 3.315 Start of MODEL 8 1 H1 LYS 1 HT1 LYS 1 22.067 19.219 0.558 2 H2 LYS 1 HT2 LYS 1 23.334 18.338 -0.152 3 H3 LYS 1 HT3 LYS 1 23.608 19.230 1.267 4 HA LYS 1 HA LYS 1 23.339 17.254 2.272 5 HB2 LYS 1 HB2 LYS 1 20.441 17.874 1.622 6 HB3 LYS 1 HB1 LYS 1 21.032 16.929 2.991 7 HG2 LYS 1 HG2 LYS 1 22.437 19.115 3.487 8 HG3 LYS 1 HG1 LYS 1 21.172 19.887 2.530 9 HD2 LYS 1 HD2 LYS 1 20.725 18.147 4.974 10 HD3 LYS 1 HD1 LYS 1 20.582 19.905 4.922 11 HE2 LYS 1 HE2 LYS 1 18.883 17.891 3.424 12 HE3 LYS 1 HE1 LYS 1 18.358 18.982 4.707 13 HZ1 LYS 1 HZ1 LYS 1 19.021 19.579 1.914 14 HZ2 LYS 1 HZ2 LYS 1 19.291 20.776 3.087 15 HZ3 LYS 1 HZ3 LYS 1 17.732 20.143 2.860 16 H LYS 2 HN LYS 2 24.270 15.725 0.897 17 HA LYS 2 HA LYS 2 22.676 14.501 -1.207 18 HB2 LYS 2 HB2 LYS 2 25.066 14.867 -1.583 19 HB3 LYS 2 HB1 LYS 2 25.454 13.868 -0.184 20 HG2 LYS 2 HG2 LYS 2 23.652 12.578 -2.135 21 HG3 LYS 2 HG1 LYS 2 25.257 12.933 -2.767 22 HD2 LYS 2 HD2 LYS 2 24.984 11.620 -0.071 23 HD3 LYS 2 HD1 LYS 2 24.821 10.655 -1.534 24 HE2 LYS 2 HE2 LYS 2 27.196 10.995 -0.418 25 HE3 LYS 2 HE1 LYS 2 27.026 10.982 -2.173 26 HZ1 LYS 2 HZ1 LYS 2 27.176 13.364 -0.410 27 HZ2 LYS 2 HZ2 LYS 2 26.828 13.432 -2.070 28 HZ3 LYS 2 HZ3 LYS 2 28.334 12.857 -1.538 29 H HIS 3 HN HIS 3 21.325 12.876 -0.845 30 HA HIS 3 HA HIS 3 20.164 11.265 0.355 31 HB2 HIS 3 HB2 HIS 3 22.026 10.094 -0.918 32 HB3 HIS 3 HB1 HIS 3 22.918 10.051 0.604 33 HD2 HIS 3 HD2 HIS 3 22.497 7.158 0.581 34 HE1 HIS 3 HE1 HIS 3 18.400 7.455 1.550 35 HE2 HIS 3 HE2 HIS 3 20.367 5.862 1.356 36 H THR 4 HN THR 4 22.181 9.675 2.252 37 HA THR 4 HA THR 4 21.765 11.421 4.605 38 HB THR 4 HB THR 4 20.139 9.688 4.809 39 HG1 THR 4 HG1 THR 4 20.747 9.196 6.751 40 HG21 THR 4 HG21 THR 4 20.420 7.801 3.625 41 HG22 THR 4 HG22 THR 4 21.595 7.277 4.830 42 HG23 THR 4 HG23 THR 4 22.133 8.145 3.392 43 H ILE 5 HN ILE 5 23.056 8.384 5.284 44 HA ILE 5 HA ILE 5 25.814 9.454 5.268 45 HB ILE 5 HB ILE 5 26.090 7.835 7.260 46 HG12 ILE 5 HG12 ILE 5 23.273 8.318 7.960 47 HG13 ILE 5 HG11 ILE 5 23.486 7.184 6.626 48 HG21 ILE 5 HG21 ILE 5 25.083 9.594 8.810 49 HG22 ILE 5 HG22 ILE 5 24.508 10.410 7.357 50 HG23 ILE 5 HG23 ILE 5 26.239 10.193 7.620 51 HD11 ILE 5 HD11 ILE 5 23.502 6.167 8.970 52 HD12 ILE 5 HD12 ILE 5 25.059 6.964 9.195 53 HD13 ILE 5 HD13 ILE 5 24.865 5.747 7.933 54 H TRP 6 HN TRP 6 23.667 6.839 4.521 55 HA TRP 6 HA TRP 6 25.230 4.623 4.287 56 HB2 TRP 6 HB2 TRP 6 22.866 5.632 2.968 57 HB3 TRP 6 HB1 TRP 6 23.873 4.738 1.829 58 HD1 TRP 6 HD1 TRP 6 22.733 2.450 1.707 59 HE1 TRP 6 HE1 TRP 6 22.098 0.633 3.415 60 HE3 TRP 6 HE3 TRP 6 23.729 4.941 6.042 61 HZ2 TRP 6 HZ2 TRP 6 22.023 0.284 6.247 62 HZ3 TRP 6 HZ3 TRP 6 23.368 3.846 8.237 63 HH2 TRP 6 HH2 TRP 6 22.517 1.519 8.345 64 H GLU 7 HN GLU 7 24.838 6.894 1.557 65 HA GLU 7 HA GLU 7 26.854 5.924 -0.054 66 HB2 GLU 7 HB2 GLU 7 25.362 8.413 0.194 67 HB3 GLU 7 HB1 GLU 7 26.987 8.661 -0.444 68 HG2 GLU 7 HG2 GLU 7 25.112 6.537 -1.505 69 HG3 GLU 7 HG1 GLU 7 25.198 8.162 -2.184 70 H VAL 8 HN VAL 8 27.214 7.348 3.003 71 HA VAL 8 HA VAL 8 29.986 8.164 2.466 72 HB VAL 8 HB VAL 8 28.567 8.518 5.094 73 HG11 VAL 8 HG11 VAL 8 30.451 10.490 3.918 74 HG12 VAL 8 HG12 VAL 8 31.141 8.940 4.400 75 HG13 VAL 8 HG13 VAL 8 30.296 9.936 5.585 76 HG21 VAL 8 HG21 VAL 8 27.114 9.466 3.328 77 HG22 VAL 8 HG22 VAL 8 28.488 10.356 2.678 78 HG23 VAL 8 HG23 VAL 8 27.862 10.746 4.279 79 H ILE 9 HN ILE 9 28.080 5.935 4.454 80 HA ILE 9 HA ILE 9 30.585 4.610 5.271 81 HB ILE 9 HB ILE 9 29.609 5.218 7.266 82 HG12 ILE 9 HG12 ILE 9 29.592 2.545 6.791 83 HG13 ILE 9 HG11 ILE 9 29.147 3.262 8.325 84 HG21 ILE 9 HG21 ILE 9 27.101 5.106 7.637 85 HG22 ILE 9 HG22 ILE 9 26.955 4.823 5.898 86 HG23 ILE 9 HG23 ILE 9 27.676 6.315 6.496 87 HD11 ILE 9 HD11 ILE 9 26.822 3.077 7.885 88 HD12 ILE 9 HD12 ILE 9 27.510 1.542 7.360 89 HD13 ILE 9 HD13 ILE 9 27.084 2.767 6.173 90 H ALA 10 HN ALA 10 27.248 4.039 4.202 91 HA ALA 10 HA ALA 10 27.601 1.227 3.829 92 HB1 ALA 10 HB1 ALA 10 25.475 1.325 2.640 93 HB2 ALA 10 HB2 ALA 10 25.583 3.082 2.545 94 HB3 ALA 10 HB3 ALA 10 25.382 2.293 4.110 95 H GLY 11 HN GLY 11 27.049 3.739 1.341 96 HA2 GLY 11 HA2 GLY 11 27.857 2.261 -0.859 97 HA3 GLY 11 HA1 GLY 11 28.009 4.016 -0.744 98 H LEU 12 HN LEU 12 29.666 3.325 1.792 99 HA LEU 12 HA LEU 12 32.212 3.113 0.353 100 HB2 LEU 12 HB2 LEU 12 31.697 5.075 1.914 101 HB3 LEU 12 HB1 LEU 12 31.850 3.918 3.236 102 HG LEU 12 HG LEU 12 34.106 3.306 1.947 103 HD11 LEU 12 HD11 LEU 12 33.408 5.126 0.211 104 HD12 LEU 12 HD12 LEU 12 35.082 5.082 0.763 105 HD13 LEU 12 HD13 LEU 12 33.965 6.270 1.433 106 HD21 LEU 12 HD21 LEU 12 34.041 4.021 4.263 107 HD22 LEU 12 HD22 LEU 12 33.664 5.676 3.787 108 HD23 LEU 12 HD23 LEU 12 35.250 4.995 3.426 109 H VAL 13 HN VAL 13 30.180 1.540 2.705 110 HA VAL 13 HA VAL 13 32.264 -0.528 3.113 111 HB VAL 13 HB VAL 13 29.962 0.210 4.937 112 HG11 VAL 13 HG11 VAL 13 30.250 -1.884 5.723 113 HG12 VAL 13 HG12 VAL 13 31.835 -1.359 6.289 114 HG13 VAL 13 HG13 VAL 13 31.674 -2.138 4.714 115 HG21 VAL 13 HG21 VAL 13 31.521 1.302 6.299 116 HG22 VAL 13 HG22 VAL 13 32.111 1.719 4.691 117 HG23 VAL 13 HG23 VAL 13 32.885 0.427 5.607 118 H ALA 14 HN ALA 14 28.709 -0.140 3.069 119 HA ALA 14 HA ALA 14 27.914 -2.737 2.808 120 HB1 ALA 14 HB1 ALA 14 26.838 -0.386 1.230 121 HB2 ALA 14 HB2 ALA 14 26.336 -0.856 2.854 122 HB3 ALA 14 HB3 ALA 14 26.001 -1.917 1.485 123 H LEU 15 HN LEU 15 29.187 -0.653 0.233 124 HA LEU 15 HA LEU 15 28.891 -2.585 -1.837 125 HB2 LEU 15 HB2 LEU 15 29.171 -0.135 -2.242 126 HB3 LEU 15 HB1 LEU 15 30.838 -0.267 -1.686 127 HG LEU 15 HG LEU 15 31.288 -1.927 -3.484 128 HD11 LEU 15 HD11 LEU 15 29.328 -2.978 -4.104 129 HD12 LEU 15 HD12 LEU 15 29.384 -1.735 -5.355 130 HD13 LEU 15 HD13 LEU 15 28.363 -1.512 -3.936 131 HD21 LEU 15 HD21 LEU 15 31.612 0.567 -3.778 132 HD22 LEU 15 HD22 LEU 15 30.049 0.605 -4.593 133 HD23 LEU 15 HD23 LEU 15 31.380 -0.325 -5.281 134 H LEU 16 HN LEU 16 31.371 -1.848 0.519 135 HA LEU 16 HA LEU 16 33.238 -3.765 -0.640 136 HB2 LEU 16 HB2 LEU 16 33.555 -2.265 1.956 137 HB3 LEU 16 HB1 LEU 16 34.818 -2.961 0.938 138 HG LEU 16 HG LEU 16 33.027 -0.618 0.240 139 HD11 LEU 16 HD11 LEU 16 35.014 -0.300 1.828 140 HD12 LEU 16 HD12 LEU 16 35.000 0.712 0.383 141 HD13 LEU 16 HD13 LEU 16 36.041 -0.710 0.453 142 HD21 LEU 16 HD21 LEU 16 34.968 -2.267 -1.371 143 HD22 LEU 16 HD22 LEU 16 34.679 -0.575 -1.775 144 HD23 LEU 16 HD23 LEU 16 33.346 -1.729 -1.811 145 H THR 17 HN THR 17 30.559 -3.922 1.263 146 HA THR 17 HA THR 17 31.553 -6.275 2.753 147 HB THR 17 HB THR 17 29.658 -4.095 3.502 148 HG1 THR 17 HG1 THR 17 30.809 -4.280 5.404 149 HG21 THR 17 HG21 THR 17 29.452 -6.991 4.318 150 HG22 THR 17 HG22 THR 17 28.163 -5.904 3.797 151 HG23 THR 17 HG23 THR 17 28.906 -5.695 5.383 152 H PHE 18 HN PHE 18 28.436 -4.952 1.618 153 HA PHE 18 HA PHE 18 26.956 -7.230 1.458 154 HB2 PHE 18 HB2 PHE 18 26.391 -4.779 0.756 155 HB3 PHE 18 HB1 PHE 18 26.876 -5.315 -0.852 156 HD1 PHE 18 HD2 PHE 18 24.498 -5.880 1.932 157 HD2 PHE 18 HD1 PHE 18 25.538 -6.871 -2.115 158 HE1 PHE 18 HE2 PHE 18 22.295 -6.979 1.636 159 HE2 PHE 18 HE1 PHE 18 23.336 -7.970 -2.411 160 HZ PHE 18 HZ PHE 18 21.714 -8.024 -0.537 161 H LEU 19 HN LEU 19 29.299 -6.092 -0.957 162 HA LEU 19 HA LEU 19 28.840 -8.269 -2.762 163 HB2 LEU 19 HB2 LEU 19 30.942 -6.131 -2.517 164 HB3 LEU 19 HB1 LEU 19 31.121 -7.432 -3.690 165 HG LEU 19 HG LEU 19 29.997 -5.355 -4.597 166 HD11 LEU 19 HD11 LEU 19 28.943 -6.696 -6.075 167 HD12 LEU 19 HD12 LEU 19 27.802 -7.253 -4.852 168 HD13 LEU 19 HD13 LEU 19 29.363 -8.052 -5.029 169 HD21 LEU 19 HD21 LEU 19 27.812 -4.755 -3.864 170 HD22 LEU 19 HD22 LEU 19 28.749 -4.987 -2.387 171 HD23 LEU 19 HD23 LEU 19 27.635 -6.241 -2.933 172 H ALA 20 HN ALA 20 30.729 -7.859 0.093 173 HA ALA 20 HA ALA 20 32.526 -10.066 -0.524 174 HB1 ALA 20 HB1 ALA 20 33.822 -9.050 0.992 175 HB2 ALA 20 HB2 ALA 20 32.602 -9.324 2.237 176 HB3 ALA 20 HB3 ALA 20 32.552 -7.855 1.261 177 H PHE 21 HN PHE 21 29.935 -9.353 1.804 178 HA PHE 21 HA PHE 21 29.895 -12.072 2.785 179 HB2 PHE 21 HB2 PHE 21 28.166 -9.651 3.309 180 HB3 PHE 21 HB1 PHE 21 27.865 -11.225 4.047 181 HD1 PHE 21 HD1 PHE 21 30.674 -8.801 3.481 182 HD2 PHE 21 HD2 PHE 21 28.897 -11.718 6.086 183 HE1 PHE 21 HE1 PHE 21 32.406 -8.330 5.190 184 HE2 PHE 21 HE2 PHE 21 30.628 -11.246 7.795 185 HZ PHE 21 HZ PHE 21 32.383 -9.553 7.346 186 H GLY 22 HN GLY 22 27.945 -10.046 0.646 187 HA2 GLY 22 HA2 GLY 22 25.769 -11.792 0.283 188 HA3 GLY 22 HA1 GLY 22 26.289 -10.566 -0.865 189 H PHE 23 HN PHE 23 28.700 -11.353 -1.712 190 HA PHE 23 HA PHE 23 28.268 -13.205 -3.675 191 HB2 PHE 23 HB2 PHE 23 30.262 -12.132 -4.005 192 HB3 PHE 23 HB1 PHE 23 30.693 -12.182 -2.296 193 HD1 PHE 23 HD1 PHE 23 30.619 -14.096 -5.455 194 HD2 PHE 23 HD2 PHE 23 31.811 -14.098 -1.328 195 HE1 PHE 23 HE1 PHE 23 32.015 -16.103 -5.859 196 HE2 PHE 23 HE2 PHE 23 33.208 -16.105 -1.733 197 HZ PHE 23 HZ PHE 23 33.312 -17.109 -3.998 198 H TRP 24 HN TRP 24 29.178 -13.786 -0.332 199 HA TRP 24 HA TRP 24 29.501 -16.646 -0.781 200 HB2 TRP 24 HB2 TRP 24 31.061 -15.746 0.755 201 HB3 TRP 24 HB1 TRP 24 29.809 -14.858 1.622 202 HD1 TRP 24 HD1 TRP 24 30.415 -18.566 0.694 203 HE1 TRP 24 HE1 TRP 24 29.836 -20.011 2.751 204 HE3 TRP 24 HE3 TRP 24 28.974 -14.919 3.940 205 HZ2 TRP 24 HZ2 TRP 24 28.886 -19.659 5.422 206 HZ3 TRP 24 HZ3 TRP 24 28.233 -15.493 6.239 207 HH2 TRP 24 HH2 TRP 24 28.187 -17.858 6.980 208 H LEU 25 HN LEU 25 27.667 -14.778 1.624 209 HA LEU 25 HA LEU 25 25.964 -16.397 2.751 210 HB2 LEU 25 HB2 LEU 25 25.510 -13.730 1.554 211 HB3 LEU 25 HB1 LEU 25 24.073 -14.624 2.053 212 HG LEU 25 HG LEU 25 26.453 -14.399 3.879 213 HD11 LEU 25 HD11 LEU 25 25.841 -12.100 3.223 214 HD12 LEU 25 HD12 LEU 25 25.403 -12.415 4.901 215 HD13 LEU 25 HD13 LEU 25 24.160 -12.427 3.649 216 HD21 LEU 25 HD21 LEU 25 24.114 -15.822 4.049 217 HD22 LEU 25 HD22 LEU 25 23.680 -14.336 4.894 218 HD23 LEU 25 HD23 LEU 25 25.055 -15.292 5.443 219 H PHE 26 HN PHE 26 25.201 -15.247 -0.546 220 HA PHE 26 HA PHE 26 23.014 -17.052 -0.835 221 HB2 PHE 26 HB2 PHE 26 24.492 -15.788 -3.127 222 HB3 PHE 26 HB1 PHE 26 22.777 -16.175 -3.002 223 HD1 PHE 26 HD2 PHE 26 21.754 -15.092 -0.647 224 HD2 PHE 26 HD1 PHE 26 24.925 -13.500 -3.068 225 HE1 PHE 26 HE2 PHE 26 21.298 -12.826 0.246 226 HE2 PHE 26 HE1 PHE 26 24.467 -11.233 -2.175 227 HZ PHE 26 HZ PHE 26 22.656 -10.898 -0.517 228 H LYS 27 HN LYS 27 26.062 -16.954 -2.698 229 HA LYS 27 HA LYS 27 25.801 -19.421 -3.923 230 HB2 LYS 27 HB2 LYS 27 28.242 -17.841 -3.149 231 HB3 LYS 27 HB1 LYS 27 28.343 -19.342 -4.071 232 HG2 LYS 27 HG2 LYS 27 27.162 -18.454 -5.895 233 HG3 LYS 27 HG1 LYS 27 26.463 -17.157 -4.929 234 HD2 LYS 27 HD2 LYS 27 28.317 -15.828 -5.122 235 HD3 LYS 27 HD1 LYS 27 29.429 -17.200 -5.114 236 HE2 LYS 27 HE2 LYS 27 29.103 -15.865 -7.335 237 HE3 LYS 27 HE1 LYS 27 29.114 -17.628 -7.401 238 HZ1 LYS 27 HZ1 LYS 27 26.519 -16.529 -6.847 239 HZ2 LYS 27 HZ2 LYS 27 26.986 -17.683 -8.005 240 HZ3 LYS 27 HZ3 LYS 27 27.138 -16.025 -8.343 241 H TYR 28 HN TYR 28 25.946 -19.019 -0.651 242 HA TYR 28 HA TYR 28 27.099 -21.722 -0.273 243 HB2 TYR 28 HB2 TYR 28 28.606 -20.717 1.060 244 HB3 TYR 28 HB1 TYR 28 27.698 -19.209 1.093 245 HD1 TYR 28 HD2 TYR 28 27.439 -22.726 2.375 246 HD2 TYR 28 HD1 TYR 28 26.728 -18.556 3.109 247 HE1 TYR 28 HE2 TYR 28 26.627 -23.266 4.657 248 HE2 TYR 28 HE1 TYR 28 25.912 -19.092 5.388 249 HH TYR 28 HH TYR 28 25.975 -20.773 7.011 250 H LEU 29 HN LEU 29 24.744 -19.342 0.914 251 HA LEU 29 HA LEU 29 23.327 -21.456 2.368 252 HB2 LEU 29 HB2 LEU 29 23.801 -18.930 3.105 253 HB3 LEU 29 HB1 LEU 29 22.282 -18.668 2.252 254 HG LEU 29 HG LEU 29 22.721 -20.690 4.470 255 HD11 LEU 29 HD11 LEU 29 22.756 -18.469 5.398 256 HD12 LEU 29 HD12 LEU 29 21.155 -19.142 5.713 257 HD13 LEU 29 HD13 LEU 29 21.381 -17.976 4.409 258 HD21 LEU 29 HD21 LEU 29 20.076 -20.500 4.308 259 HD22 LEU 29 HD22 LEU 29 20.962 -21.603 3.257 260 HD23 LEU 29 HD23 LEU 29 20.432 -20.036 2.646 261 H GLN 30 HN GLN 30 22.884 -19.230 -0.341 262 HA GLN 30 HA GLN 30 20.193 -20.159 -0.870 263 HB2 GLN 30 HB2 GLN 30 20.752 -17.855 -1.405 264 HB3 GLN 30 HB1 GLN 30 22.056 -18.388 -2.468 265 HG2 GLN 30 HG2 GLN 30 20.615 -19.125 -4.112 266 HG3 GLN 30 HG1 GLN 30 19.312 -19.453 -2.973 267 HE21 GLN 30 HE21 GLN 30 20.800 -16.362 -2.513 268 HE22 GLN 30 HE22 GLN 30 19.605 -15.438 -3.287 269 H LYS 31 HN LYS 31 23.275 -21.341 -1.451 270 HA LYS 31 HA LYS 31 22.328 -22.973 -3.732 271 HB2 LYS 31 HB2 LYS 31 24.940 -21.643 -3.185 272 HB3 LYS 31 HB1 LYS 31 24.979 -23.221 -3.971 273 HG2 LYS 31 HG2 LYS 31 24.888 -21.385 -5.629 274 HG3 LYS 31 HG1 LYS 31 23.454 -22.409 -5.718 275 HD2 LYS 31 HD2 LYS 31 22.067 -20.773 -4.917 276 HD3 LYS 31 HD1 LYS 31 23.307 -20.087 -3.866 277 HE2 LYS 31 HE2 LYS 31 24.287 -18.857 -5.618 278 HE3 LYS 31 HE1 LYS 31 23.546 -19.864 -6.861 279 HZ1 LYS 31 HZ1 LYS 31 22.169 -17.929 -5.083 280 HZ2 LYS 31 HZ2 LYS 31 21.367 -18.996 -6.136 281 HZ3 LYS 31 HZ3 LYS 31 22.391 -17.792 -6.759 282 H LYS 32 HN LYS 32 21.430 -24.228 -1.815 283 HA LYS 32 HA LYS 32 23.274 -26.391 -1.229 284 HB2 LYS 32 HB2 LYS 32 22.849 -26.304 1.213 285 HB3 LYS 32 HB1 LYS 32 23.734 -24.891 0.635 286 HG2 LYS 32 HG2 LYS 32 22.141 -23.630 1.614 287 HG3 LYS 32 HG1 LYS 32 21.046 -24.182 0.347 288 HD2 LYS 32 HD2 LYS 32 20.405 -26.117 1.731 289 HD3 LYS 32 HD1 LYS 32 21.505 -25.577 3.000 290 HE2 LYS 32 HE2 LYS 32 19.793 -23.394 2.220 291 HE3 LYS 32 HE1 LYS 32 18.809 -24.801 2.621 292 HZ1 LYS 32 HZ1 LYS 32 20.988 -24.386 4.441 293 HZ2 LYS 32 HZ2 LYS 32 19.340 -24.644 4.762 294 HZ3 LYS 32 HZ3 LYS 32 19.905 -23.082 4.408 Start of MODEL 9 1 H1 LYS 1 HT1 LYS 1 21.692 15.846 -5.635 2 H2 LYS 1 HT2 LYS 1 21.824 14.209 -5.199 3 H3 LYS 1 HT3 LYS 1 23.179 15.227 -5.106 4 HA LYS 1 HA LYS 1 22.091 16.535 -3.376 5 HB2 LYS 1 HB2 LYS 1 20.062 15.257 -2.337 6 HB3 LYS 1 HB1 LYS 1 19.790 16.280 -3.745 7 HG2 LYS 1 HG2 LYS 1 20.534 13.420 -4.212 8 HG3 LYS 1 HG1 LYS 1 18.897 13.766 -3.662 9 HD2 LYS 1 HD2 LYS 1 19.943 15.445 -5.896 10 HD3 LYS 1 HD1 LYS 1 19.565 13.765 -6.267 11 HE2 LYS 1 HE2 LYS 1 17.604 15.229 -6.635 12 HE3 LYS 1 HE1 LYS 1 17.300 14.055 -5.356 13 HZ1 LYS 1 HZ1 LYS 1 16.620 16.381 -4.836 14 HZ2 LYS 1 HZ2 LYS 1 18.264 16.809 -4.843 15 HZ3 LYS 1 HZ3 LYS 1 17.681 15.688 -3.708 16 H LYS 2 HN LYS 2 22.927 13.319 -4.132 17 HA LYS 2 HA LYS 2 24.065 11.683 -2.995 18 HB2 LYS 2 HB2 LYS 2 25.022 14.193 -1.999 19 HB3 LYS 2 HB1 LYS 2 24.956 13.040 -0.666 20 HG2 LYS 2 HG2 LYS 2 26.242 12.471 -3.354 21 HG3 LYS 2 HG1 LYS 2 27.128 12.972 -1.912 22 HD2 LYS 2 HD2 LYS 2 25.379 10.787 -1.239 23 HD3 LYS 2 HD1 LYS 2 26.366 10.339 -2.631 24 HE2 LYS 2 HE2 LYS 2 27.421 11.477 -0.026 25 HE3 LYS 2 HE1 LYS 2 27.511 9.784 -0.513 26 HZ1 LYS 2 HZ1 LYS 2 28.509 11.561 -2.520 27 HZ2 LYS 2 HZ2 LYS 2 29.240 10.195 -1.824 28 HZ3 LYS 2 HZ3 LYS 2 29.360 11.709 -1.060 29 H HIS 3 HN HIS 3 23.160 10.080 -1.895 30 HA HIS 3 HA HIS 3 20.840 10.262 -0.387 31 HB2 HIS 3 HB2 HIS 3 21.925 8.175 -1.363 32 HB3 HIS 3 HB1 HIS 3 22.961 8.162 0.064 33 HD2 HIS 3 HD2 HIS 3 21.590 5.826 1.048 34 HE1 HIS 3 HE1 HIS 3 17.951 7.826 1.803 35 HE2 HIS 3 HE2 HIS 3 19.240 5.672 2.175 36 H THR 4 HN THR 4 20.949 9.189 2.009 37 HA THR 4 HA THR 4 21.680 11.237 3.745 38 HB THR 4 HB THR 4 20.096 9.642 4.517 39 HG1 THR 4 HG1 THR 4 21.014 9.066 6.458 40 HG21 THR 4 HG21 THR 4 21.475 7.251 4.946 41 HG22 THR 4 HG22 THR 4 21.976 7.763 3.334 42 HG23 THR 4 HG23 THR 4 20.264 7.550 3.700 43 H ILE 5 HN ILE 5 23.046 8.414 4.986 44 HA ILE 5 HA ILE 5 25.774 9.486 4.588 45 HB ILE 5 HB ILE 5 26.215 8.123 6.740 46 HG12 ILE 5 HG12 ILE 5 23.426 8.655 7.535 47 HG13 ILE 5 HG11 ILE 5 23.604 7.347 6.365 48 HG21 ILE 5 HG21 ILE 5 24.508 10.630 6.739 49 HG22 ILE 5 HG22 ILE 5 26.269 10.561 6.675 50 HG23 ILE 5 HG23 ILE 5 25.421 10.040 8.130 51 HD11 ILE 5 HD11 ILE 5 25.139 6.174 7.787 52 HD12 ILE 5 HD12 ILE 5 23.761 6.631 8.789 53 HD13 ILE 5 HD13 ILE 5 25.266 7.548 8.882 54 H TRP 6 HN TRP 6 23.663 6.744 4.339 55 HA TRP 6 HA TRP 6 25.270 4.552 4.269 56 HB2 TRP 6 HB2 TRP 6 22.796 5.341 2.999 57 HB3 TRP 6 HB1 TRP 6 23.750 4.333 1.912 58 HD1 TRP 6 HD1 TRP 6 22.667 2.029 2.147 59 HE1 TRP 6 HE1 TRP 6 22.195 0.422 4.101 60 HE3 TRP 6 HE3 TRP 6 23.876 5.051 6.071 61 HZ2 TRP 6 HZ2 TRP 6 22.316 0.422 6.953 62 HZ3 TRP 6 HZ3 TRP 6 23.690 4.226 8.401 63 HH2 TRP 6 HH2 TRP 6 22.912 1.913 8.848 64 H GLU 7 HN GLU 7 24.590 6.346 1.261 65 HA GLU 7 HA GLU 7 26.545 5.276 -0.330 66 HB2 GLU 7 HB2 GLU 7 25.378 8.041 -0.207 67 HB3 GLU 7 HB1 GLU 7 26.583 7.613 -1.421 68 HG2 GLU 7 HG2 GLU 7 25.145 5.718 -2.145 69 HG3 GLU 7 HG1 GLU 7 23.927 6.222 -0.975 70 H VAL 8 HN VAL 8 27.049 7.150 2.479 71 HA VAL 8 HA VAL 8 29.755 7.923 1.646 72 HB VAL 8 HB VAL 8 28.537 8.581 4.317 73 HG11 VAL 8 HG11 VAL 8 30.997 8.961 3.689 74 HG12 VAL 8 HG12 VAL 8 30.111 10.359 4.297 75 HG13 VAL 8 HG13 VAL 8 30.403 10.185 2.567 76 HG21 VAL 8 HG21 VAL 8 26.909 9.250 2.563 77 HG22 VAL 8 HG22 VAL 8 28.194 10.102 1.710 78 HG23 VAL 8 HG23 VAL 8 27.672 10.658 3.300 79 H ILE 9 HN ILE 9 28.066 5.929 4.036 80 HA ILE 9 HA ILE 9 30.661 4.767 4.820 81 HB ILE 9 HB ILE 9 29.822 5.598 6.794 82 HG12 ILE 9 HG12 ILE 9 29.826 2.887 6.660 83 HG13 ILE 9 HG11 ILE 9 29.474 3.785 8.121 84 HG21 ILE 9 HG21 ILE 9 27.349 5.502 7.363 85 HG22 ILE 9 HG22 ILE 9 27.085 5.008 5.689 86 HG23 ILE 9 HG23 ILE 9 27.816 6.571 6.047 87 HD11 ILE 9 HD11 ILE 9 27.131 3.516 7.876 88 HD12 ILE 9 HD12 ILE 9 27.812 1.937 7.494 89 HD13 ILE 9 HD13 ILE 9 27.278 3.000 6.201 90 H ALA 10 HN ALA 10 27.277 3.998 4.078 91 HA ALA 10 HA ALA 10 27.677 1.169 4.040 92 HB1 ALA 10 HB1 ALA 10 25.545 2.820 2.660 93 HB2 ALA 10 HB2 ALA 10 25.454 2.217 4.316 94 HB3 ALA 10 HB3 ALA 10 25.485 1.084 2.967 95 H GLY 11 HN GLY 11 26.933 3.341 1.297 96 HA2 GLY 11 HA2 GLY 11 27.644 1.607 -0.745 97 HA3 GLY 11 HA1 GLY 11 27.754 3.362 -0.864 98 H LEU 12 HN LEU 12 29.570 3.004 1.647 99 HA LEU 12 HA LEU 12 32.034 2.673 0.092 100 HB2 LEU 12 HB2 LEU 12 31.570 4.812 1.406 101 HB3 LEU 12 HB1 LEU 12 31.802 3.845 2.863 102 HG LEU 12 HG LEU 12 33.982 3.132 1.333 103 HD11 LEU 12 HD11 LEU 12 33.673 6.131 1.070 104 HD12 LEU 12 HD12 LEU 12 33.280 5.016 -0.237 105 HD13 LEU 12 HD13 LEU 12 34.930 5.109 0.374 106 HD21 LEU 12 HD21 LEU 12 33.721 5.358 3.381 107 HD22 LEU 12 HD22 LEU 12 35.243 4.606 2.901 108 HD23 LEU 12 HD23 LEU 12 34.010 3.652 3.727 109 H VAL 13 HN VAL 13 30.176 1.343 2.717 110 HA VAL 13 HA VAL 13 32.378 -0.542 3.328 111 HB VAL 13 HB VAL 13 30.014 0.305 5.016 112 HG11 VAL 13 HG11 VAL 13 31.410 -1.156 6.711 113 HG12 VAL 13 HG12 VAL 13 31.985 -1.945 5.242 114 HG13 VAL 13 HG13 VAL 13 30.262 -1.931 5.619 115 HG21 VAL 13 HG21 VAL 13 32.955 0.505 5.674 116 HG22 VAL 13 HG22 VAL 13 31.608 1.392 6.388 117 HG23 VAL 13 HG23 VAL 13 32.147 1.772 4.752 118 H ALA 14 HN ALA 14 28.815 -0.408 3.090 119 HA ALA 14 HA ALA 14 28.193 -3.067 3.140 120 HB1 ALA 14 HB1 ALA 14 26.366 -2.509 1.478 121 HB2 ALA 14 HB2 ALA 14 27.078 -0.900 1.349 122 HB3 ALA 14 HB3 ALA 14 26.432 -1.457 2.893 123 H LEU 15 HN LEU 15 29.257 -1.237 0.268 124 HA LEU 15 HA LEU 15 29.280 -3.425 -1.512 125 HB2 LEU 15 HB2 LEU 15 31.070 -0.982 -1.559 126 HB3 LEU 15 HB1 LEU 15 30.680 -2.026 -2.930 127 HG LEU 15 HG LEU 15 28.678 -0.401 -1.340 128 HD11 LEU 15 HD11 LEU 15 28.785 1.233 -2.950 129 HD12 LEU 15 HD12 LEU 15 29.180 0.085 -4.232 130 HD13 LEU 15 HD13 LEU 15 30.434 0.629 -3.116 131 HD21 LEU 15 HD21 LEU 15 27.408 -2.165 -2.156 132 HD22 LEU 15 HD22 LEU 15 28.461 -2.414 -3.549 133 HD23 LEU 15 HD23 LEU 15 27.332 -1.060 -3.529 134 H LEU 16 HN LEU 16 31.515 -2.284 0.889 135 HA LEU 16 HA LEU 16 33.556 -4.223 0.072 136 HB2 LEU 16 HB2 LEU 16 33.722 -2.280 2.369 137 HB3 LEU 16 HB1 LEU 16 35.046 -3.059 1.500 138 HG LEU 16 HG LEU 16 33.134 -0.982 0.397 139 HD11 LEU 16 HD11 LEU 16 36.144 -0.838 0.578 140 HD12 LEU 16 HD12 LEU 16 35.120 -0.326 1.920 141 HD13 LEU 16 HD13 LEU 16 34.995 0.482 0.358 142 HD21 LEU 16 HD21 LEU 16 35.186 -2.765 -0.902 143 HD22 LEU 16 HD22 LEU 16 34.799 -1.190 -1.594 144 HD23 LEU 16 HD23 LEU 16 33.539 -2.415 -1.426 145 H THR 17 HN THR 17 30.806 -4.420 1.705 146 HA THR 17 HA THR 17 31.826 -6.527 3.475 147 HB THR 17 HB THR 17 30.079 -4.218 4.340 148 HG1 THR 17 HG1 THR 17 32.554 -5.307 5.179 149 HG21 THR 17 HG21 THR 17 30.131 -5.576 6.558 150 HG22 THR 17 HG22 THR 17 30.482 -6.958 5.519 151 HG23 THR 17 HG23 THR 17 28.981 -6.054 5.309 152 H PHE 18 HN PHE 18 28.667 -4.944 3.066 153 HA PHE 18 HA PHE 18 27.057 -7.151 3.176 154 HB2 PHE 18 HB2 PHE 18 26.471 -4.629 2.846 155 HB3 PHE 18 HB1 PHE 18 26.480 -5.030 1.129 156 HD1 PHE 18 HD1 PHE 18 25.180 -6.397 4.373 157 HD2 PHE 18 HD2 PHE 18 24.483 -5.789 0.177 158 HE1 PHE 18 HE1 PHE 18 22.919 -7.392 4.604 159 HE2 PHE 18 HE2 PHE 18 22.224 -6.783 0.408 160 HZ PHE 18 HZ PHE 18 21.442 -7.585 2.621 161 H LEU 19 HN LEU 19 28.691 -5.872 0.289 162 HA LEU 19 HA LEU 19 27.696 -7.977 -1.417 163 HB2 LEU 19 HB2 LEU 19 29.654 -5.721 -1.727 164 HB3 LEU 19 HB1 LEU 19 29.575 -6.988 -2.947 165 HG LEU 19 HG LEU 19 28.107 -4.976 -3.414 166 HD11 LEU 19 HD11 LEU 19 26.811 -6.380 -4.611 167 HD12 LEU 19 HD12 LEU 19 26.046 -7.003 -3.150 168 HD13 LEU 19 HD13 LEU 19 27.547 -7.719 -3.732 169 HD21 LEU 19 HD21 LEU 19 26.201 -4.542 -2.075 170 HD22 LEU 19 HD22 LEU 19 27.510 -4.783 -0.920 171 HD23 LEU 19 HD23 LEU 19 26.349 -6.076 -1.218 172 H ALA 20 HN ALA 20 30.881 -7.147 -0.047 173 HA ALA 20 HA ALA 20 32.456 -9.138 -1.025 174 HB1 ALA 20 HB1 ALA 20 32.967 -8.994 1.789 175 HB2 ALA 20 HB2 ALA 20 32.545 -7.386 1.203 176 HB3 ALA 20 HB3 ALA 20 33.881 -8.271 0.466 177 H PHE 21 HN PHE 21 30.472 -9.440 1.933 178 HA PHE 21 HA PHE 21 30.914 -12.301 2.025 179 HB2 PHE 21 HB2 PHE 21 29.241 -10.426 3.703 180 HB3 PHE 21 HB1 PHE 21 29.340 -12.164 3.988 181 HD1 PHE 21 HD2 PHE 21 31.439 -9.091 3.649 182 HD2 PHE 21 HD1 PHE 21 31.141 -13.086 5.200 183 HE1 PHE 21 HE2 PHE 21 33.568 -8.770 4.880 184 HE2 PHE 21 HE1 PHE 21 33.271 -12.767 6.430 185 HZ PHE 21 HZ PHE 21 34.484 -10.609 6.270 186 H GLY 22 HN GLY 22 28.284 -10.088 1.203 187 HA2 GLY 22 HA2 GLY 22 26.157 -11.856 0.982 188 HA3 GLY 22 HA1 GLY 22 26.359 -10.423 -0.021 189 H PHE 23 HN PHE 23 28.608 -11.034 -1.464 190 HA PHE 23 HA PHE 23 27.642 -12.536 -3.586 191 HB2 PHE 23 HB2 PHE 23 30.172 -11.318 -2.842 192 HB3 PHE 23 HB1 PHE 23 30.416 -12.832 -3.714 193 HD1 PHE 23 HD1 PHE 23 28.678 -13.157 -5.759 194 HD2 PHE 23 HD2 PHE 23 29.962 -9.390 -4.142 195 HE1 PHE 23 HE1 PHE 23 28.080 -12.038 -7.889 196 HE2 PHE 23 HE2 PHE 23 29.364 -8.271 -6.270 197 HZ PHE 23 HZ PHE 23 28.422 -9.595 -8.145 198 H TRP 24 HN TRP 24 28.881 -13.594 -0.586 199 HA TRP 24 HA TRP 24 29.304 -16.321 -1.613 200 HB2 TRP 24 HB2 TRP 24 31.212 -15.567 -0.383 201 HB3 TRP 24 HB1 TRP 24 30.198 -14.970 0.935 202 HD1 TRP 24 HD1 TRP 24 30.563 -18.350 -0.905 203 HE1 TRP 24 HE1 TRP 24 30.547 -20.234 0.860 204 HE3 TRP 24 HE3 TRP 24 30.052 -15.570 3.328 205 HZ2 TRP 24 HZ2 TRP 24 30.342 -20.514 3.696 206 HZ3 TRP 24 HZ3 TRP 24 29.947 -16.661 5.555 207 HH2 TRP 24 HH2 TRP 24 30.092 -19.130 5.742 208 H LEU 25 HN LEU 25 28.292 -15.040 1.532 209 HA LEU 25 HA LEU 25 26.864 -16.864 2.710 210 HB2 LEU 25 HB2 LEU 25 26.254 -13.998 2.292 211 HB3 LEU 25 HB1 LEU 25 24.948 -14.986 2.947 212 HG LEU 25 HG LEU 25 27.732 -15.177 4.080 213 HD11 LEU 25 HD11 LEU 25 27.117 -13.473 5.743 214 HD12 LEU 25 HD12 LEU 25 25.574 -13.219 4.928 215 HD13 LEU 25 HD13 LEU 25 27.080 -12.785 4.121 216 HD21 LEU 25 HD21 LEU 25 25.442 -16.610 4.544 217 HD22 LEU 25 HD22 LEU 25 25.313 -15.352 5.774 218 HD23 LEU 25 HD23 LEU 25 26.732 -16.397 5.728 219 H PHE 26 HN PHE 26 25.256 -15.008 0.108 220 HA PHE 26 HA PHE 26 23.045 -16.841 0.016 221 HB2 PHE 26 HB2 PHE 26 23.751 -14.900 -2.169 222 HB3 PHE 26 HB1 PHE 26 22.156 -15.435 -1.642 223 HD1 PHE 26 HD1 PHE 26 21.950 -15.097 1.122 224 HD2 PHE 26 HD2 PHE 26 24.180 -12.671 -1.634 225 HE1 PHE 26 HE1 PHE 26 21.821 -13.189 2.697 226 HE2 PHE 26 HE2 PHE 26 24.051 -10.763 -0.059 227 HZ PHE 26 HZ PHE 26 22.877 -11.024 2.108 228 H LYS 27 HN LYS 27 25.414 -15.967 -2.502 229 HA LYS 27 HA LYS 27 24.885 -17.954 -4.310 230 HB2 LYS 27 HB2 LYS 27 27.701 -17.064 -3.685 231 HB3 LYS 27 HB1 LYS 27 27.041 -17.570 -5.238 232 HG2 LYS 27 HG2 LYS 27 26.359 -15.043 -3.705 233 HG3 LYS 27 HG1 LYS 27 27.191 -15.157 -5.256 234 HD2 LYS 27 HD2 LYS 27 25.039 -16.390 -6.053 235 HD3 LYS 27 HD1 LYS 27 24.291 -15.666 -4.627 236 HE2 LYS 27 HE2 LYS 27 25.579 -13.501 -5.645 237 HE3 LYS 27 HE1 LYS 27 25.223 -14.380 -7.131 238 HZ1 LYS 27 HZ1 LYS 27 23.035 -14.034 -6.910 239 HZ2 LYS 27 HZ2 LYS 27 23.497 -12.759 -5.887 240 HZ3 LYS 27 HZ3 LYS 27 23.049 -14.260 -5.228 241 H TYR 28 HN TYR 28 25.988 -18.457 -1.150 242 HA TYR 28 HA TYR 28 27.012 -21.148 -1.855 243 HB2 TYR 28 HB2 TYR 28 28.796 -20.543 -0.637 244 HB3 TYR 28 HB1 TYR 28 27.977 -19.126 0.008 245 HD1 TYR 28 HD1 TYR 28 27.909 -22.862 0.296 246 HD2 TYR 28 HD2 TYR 28 27.432 -19.082 2.277 247 HE1 TYR 28 HE1 TYR 28 27.584 -24.035 2.460 248 HE2 TYR 28 HE2 TYR 28 27.108 -20.251 4.438 249 HH TYR 28 HH TYR 28 26.201 -22.975 4.933 250 H LEU 29 HN LEU 29 25.212 -19.397 0.684 251 HA LEU 29 HA LEU 29 24.081 -21.890 1.660 252 HB2 LEU 29 HB2 LEU 29 24.718 -19.606 2.933 253 HB3 LEU 29 HB1 LEU 29 23.016 -19.288 2.605 254 HG LEU 29 HG LEU 29 24.124 -21.746 3.994 255 HD11 LEU 29 HD11 LEU 29 22.768 -20.788 5.915 256 HD12 LEU 29 HD12 LEU 29 22.617 -19.308 4.968 257 HD13 LEU 29 HD13 LEU 29 24.208 -19.866 5.487 258 HD21 LEU 29 HD21 LEU 29 21.548 -21.968 4.456 259 HD22 LEU 29 HD22 LEU 29 22.196 -22.517 2.910 260 HD23 LEU 29 HD23 LEU 29 21.389 -20.953 3.022 261 H GLN 30 HN GLN 30 22.926 -18.953 0.030 262 HA GLN 30 HA GLN 30 20.202 -19.809 -0.096 263 HB2 GLN 30 HB2 GLN 30 20.777 -17.447 -0.211 264 HB3 GLN 30 HB1 GLN 30 21.701 -17.719 -1.687 265 HG2 GLN 30 HG2 GLN 30 19.844 -17.875 -2.993 266 HG3 GLN 30 HG1 GLN 30 18.908 -18.696 -1.744 267 HE21 GLN 30 HE21 GLN 30 20.527 -15.696 -0.889 268 HE22 GLN 30 HE22 GLN 30 19.126 -14.738 -0.842 269 H LYS 31 HN LYS 31 23.010 -20.612 -1.861 270 HA LYS 31 HA LYS 31 21.403 -21.671 -4.105 271 HB2 LYS 31 HB2 LYS 31 24.189 -20.638 -3.873 272 HB3 LYS 31 HB1 LYS 31 23.892 -21.943 -5.020 273 HG2 LYS 31 HG2 LYS 31 23.619 -19.703 -6.067 274 HG3 LYS 31 HG1 LYS 31 22.121 -20.635 -6.097 275 HD2 LYS 31 HD2 LYS 31 21.144 -19.358 -4.383 276 HD3 LYS 31 HD1 LYS 31 22.702 -18.756 -3.815 277 HE2 LYS 31 HE2 LYS 31 22.953 -17.453 -5.902 278 HE3 LYS 31 HE1 LYS 31 21.383 -18.040 -6.451 279 HZ1 LYS 31 HZ1 LYS 31 20.363 -17.013 -4.519 280 HZ2 LYS 31 HZ2 LYS 31 21.206 -15.856 -5.435 281 HZ3 LYS 31 HZ3 LYS 31 21.872 -16.451 -3.990 282 H LYS 32 HN LYS 32 24.054 -22.479 -1.877 283 HA LYS 32 HA LYS 32 24.896 -24.501 -1.177 284 HB2 LYS 32 HB2 LYS 32 22.033 -24.575 -0.984 285 HB3 LYS 32 HB1 LYS 32 22.627 -26.184 -1.397 286 HG2 LYS 32 HG2 LYS 32 24.261 -26.036 0.473 287 HG3 LYS 32 HG1 LYS 32 23.586 -24.468 0.915 288 HD2 LYS 32 HD2 LYS 32 22.040 -27.078 0.824 289 HD3 LYS 32 HD1 LYS 32 22.621 -26.289 2.290 290 HE2 LYS 32 HE2 LYS 32 20.468 -25.448 2.225 291 HE3 LYS 32 HE1 LYS 32 21.292 -24.215 1.274 292 HZ1 LYS 32 HZ1 LYS 32 19.223 -25.908 0.475 293 HZ2 LYS 32 HZ2 LYS 32 20.604 -26.337 -0.419 294 HZ3 LYS 32 HZ3 LYS 32 20.032 -24.738 -0.448 Start of MODEL 10 1 H1 LYS 1 HT1 LYS 1 21.741 17.615 -2.788 2 H2 LYS 1 HT2 LYS 1 21.439 18.432 -1.330 3 H3 LYS 1 HT3 LYS 1 20.475 18.740 -2.695 4 HA LYS 1 HA LYS 1 20.061 16.853 -0.682 5 HB2 LYS 1 HB2 LYS 1 18.400 18.260 -1.969 6 HB3 LYS 1 HB1 LYS 1 18.625 17.163 -3.333 7 HG2 LYS 1 HG2 LYS 1 17.842 15.279 -2.025 8 HG3 LYS 1 HG1 LYS 1 17.778 16.266 -0.564 9 HD2 LYS 1 HD2 LYS 1 15.970 17.576 -1.409 10 HD3 LYS 1 HD1 LYS 1 16.178 16.940 -3.040 11 HE2 LYS 1 HE2 LYS 1 14.262 15.857 -1.957 12 HE3 LYS 1 HE1 LYS 1 15.551 14.682 -2.220 13 HZ1 LYS 1 HZ1 LYS 1 15.622 16.120 0.304 14 HZ2 LYS 1 HZ2 LYS 1 15.951 14.487 -0.029 15 HZ3 LYS 1 HZ3 LYS 1 14.345 15.019 0.117 16 H LYS 2 HN LYS 2 22.031 15.498 -1.026 17 HA LYS 2 HA LYS 2 21.943 13.693 -3.320 18 HB2 LYS 2 HB2 LYS 2 24.108 14.611 -2.487 19 HB3 LYS 2 HB1 LYS 2 23.861 13.732 -0.977 20 HG2 LYS 2 HG2 LYS 2 23.436 11.897 -3.119 21 HG3 LYS 2 HG1 LYS 2 24.945 12.753 -3.441 22 HD2 LYS 2 HD2 LYS 2 24.246 11.413 -0.810 23 HD3 LYS 2 HD1 LYS 2 25.299 10.721 -2.045 24 HE2 LYS 2 HE2 LYS 2 26.208 13.371 -1.559 25 HE3 LYS 2 HE1 LYS 2 25.968 12.606 0.012 26 HZ1 LYS 2 HZ1 LYS 2 27.497 11.419 -2.240 27 HZ2 LYS 2 HZ2 LYS 2 27.323 10.762 -0.683 28 HZ3 LYS 2 HZ3 LYS 2 28.190 12.205 -0.907 29 H HIS 3 HN HIS 3 22.489 13.042 0.139 30 HA HIS 3 HA HIS 3 20.220 11.283 0.337 31 HB2 HIS 3 HB2 HIS 3 21.959 9.937 -0.944 32 HB3 HIS 3 HB1 HIS 3 22.940 9.984 0.521 33 HD2 HIS 3 HD2 HIS 3 22.378 7.091 0.658 34 HE1 HIS 3 HE1 HIS 3 18.428 7.677 2.023 35 HE2 HIS 3 HE2 HIS 3 20.275 5.961 1.717 36 H THR 4 HN THR 4 22.321 9.788 2.233 37 HA THR 4 HA THR 4 22.134 11.749 4.440 38 HB THR 4 HB THR 4 20.428 10.128 4.881 39 HG1 THR 4 HG1 THR 4 22.341 10.564 6.461 40 HG21 THR 4 HG21 THR 4 20.563 8.104 3.917 41 HG22 THR 4 HG22 THR 4 21.811 7.670 5.083 42 HG23 THR 4 HG23 THR 4 22.263 8.364 3.526 43 H ILE 5 HN ILE 5 23.293 8.777 5.426 44 HA ILE 5 HA ILE 5 26.094 9.686 5.158 45 HB ILE 5 HB ILE 5 26.400 8.145 7.203 46 HG12 ILE 5 HG12 ILE 5 23.628 8.757 7.985 47 HG13 ILE 5 HG11 ILE 5 23.758 7.549 6.707 48 HG21 ILE 5 HG21 ILE 5 26.706 10.355 7.759 49 HG22 ILE 5 HG22 ILE 5 25.196 10.078 8.628 50 HG23 ILE 5 HG23 ILE 5 25.172 10.854 7.045 51 HD11 ILE 5 HD11 ILE 5 25.439 7.402 9.208 52 HD12 ILE 5 HD12 ILE 5 25.111 6.126 8.036 53 HD13 ILE 5 HD13 ILE 5 23.833 6.676 9.120 54 H TRP 6 HN TRP 6 23.818 7.161 4.560 55 HA TRP 6 HA TRP 6 25.284 4.864 4.383 56 HB2 TRP 6 HB2 TRP 6 22.893 5.899 3.150 57 HB3 TRP 6 HB1 TRP 6 23.811 4.945 1.984 58 HD1 TRP 6 HD1 TRP 6 22.615 2.685 1.988 59 HE1 TRP 6 HE1 TRP 6 22.013 0.937 3.776 60 HE3 TRP 6 HE3 TRP 6 23.875 5.275 6.195 61 HZ2 TRP 6 HZ2 TRP 6 22.060 0.673 6.619 62 HZ3 TRP 6 HZ3 TRP 6 23.587 4.255 8.435 63 HH2 TRP 6 HH2 TRP 6 22.682 1.956 8.653 64 H GLU 7 HN GLU 7 24.964 7.223 1.720 65 HA GLU 7 HA GLU 7 26.833 6.033 0.008 66 HB2 GLU 7 HB2 GLU 7 25.348 8.500 0.156 67 HB3 GLU 7 HB1 GLU 7 26.984 8.799 -0.430 68 HG2 GLU 7 HG2 GLU 7 25.157 6.648 -1.530 69 HG3 GLU 7 HG1 GLU 7 25.344 8.245 -2.253 70 H VAL 8 HN VAL 8 27.391 7.358 3.010 71 HA VAL 8 HA VAL 8 30.152 8.154 2.344 72 HB VAL 8 HB VAL 8 28.791 8.636 4.987 73 HG11 VAL 8 HG11 VAL 8 30.735 10.523 3.805 74 HG12 VAL 8 HG12 VAL 8 31.386 8.933 4.201 75 HG13 VAL 8 HG13 VAL 8 30.621 9.908 5.455 76 HG21 VAL 8 HG21 VAL 8 27.379 9.612 3.205 77 HG22 VAL 8 HG22 VAL 8 28.794 10.415 2.525 78 HG23 VAL 8 HG23 VAL 8 28.198 10.878 4.120 79 H ILE 9 HN ILE 9 28.218 6.044 4.418 80 HA ILE 9 HA ILE 9 30.687 4.648 5.220 81 HB ILE 9 HB ILE 9 29.799 5.338 7.225 82 HG12 ILE 9 HG12 ILE 9 29.623 2.658 6.817 83 HG13 ILE 9 HG11 ILE 9 29.261 3.435 8.344 84 HG21 ILE 9 HG21 ILE 9 27.909 6.521 6.479 85 HG22 ILE 9 HG22 ILE 9 27.300 5.372 7.663 86 HG23 ILE 9 HG23 ILE 9 27.092 5.057 5.937 87 HD11 ILE 9 HD11 ILE 9 26.920 3.368 7.971 88 HD12 ILE 9 HD12 ILE 9 27.507 1.787 7.463 89 HD13 ILE 9 HD13 ILE 9 27.116 3.006 6.260 90 H ALA 10 HN ALA 10 27.300 4.191 4.257 91 HA ALA 10 HA ALA 10 27.544 1.358 3.935 92 HB1 ALA 10 HB1 ALA 10 25.374 2.533 4.270 93 HB2 ALA 10 HB2 ALA 10 25.377 1.484 2.854 94 HB3 ALA 10 HB3 ALA 10 25.538 3.230 2.658 95 H GLY 11 HN GLY 11 27.000 3.855 1.430 96 HA2 GLY 11 HA2 GLY 11 27.679 2.314 -0.775 97 HA3 GLY 11 HA1 GLY 11 27.885 4.064 -0.694 98 H LEU 12 HN LEU 12 29.602 3.327 1.805 99 HA LEU 12 HA LEU 12 32.096 3.027 0.286 100 HB2 LEU 12 HB2 LEU 12 31.696 5.035 1.819 101 HB3 LEU 12 HB1 LEU 12 31.847 3.899 3.162 102 HG LEU 12 HG LEU 12 34.036 3.205 1.731 103 HD11 LEU 12 HD11 LEU 12 35.114 5.253 0.897 104 HD12 LEU 12 HD12 LEU 12 33.675 6.188 1.303 105 HD13 LEU 12 HD13 LEU 12 33.602 4.963 0.037 106 HD21 LEU 12 HD21 LEU 12 33.789 5.483 3.724 107 HD22 LEU 12 HD22 LEU 12 35.304 4.686 3.298 108 HD23 LEU 12 HD23 LEU 12 34.027 3.778 4.108 109 H VAL 13 HN VAL 13 30.090 1.551 2.720 110 HA VAL 13 HA VAL 13 32.136 -0.557 3.119 111 HB VAL 13 HB VAL 13 29.876 0.257 4.964 112 HG11 VAL 13 HG11 VAL 13 30.218 -2.079 5.245 113 HG12 VAL 13 HG12 VAL 13 31.178 -1.324 6.518 114 HG13 VAL 13 HG13 VAL 13 31.965 -1.925 5.059 115 HG21 VAL 13 HG21 VAL 13 32.078 1.692 4.661 116 HG22 VAL 13 HG22 VAL 13 32.809 0.394 5.606 117 HG23 VAL 13 HG23 VAL 13 31.478 1.332 6.281 118 H ALA 14 HN ALA 14 28.592 -0.085 3.083 119 HA ALA 14 HA ALA 14 27.730 -2.668 2.876 120 HB1 ALA 14 HB1 ALA 14 26.731 -0.255 1.348 121 HB2 ALA 14 HB2 ALA 14 26.144 -0.845 2.902 122 HB3 ALA 14 HB3 ALA 14 25.870 -1.791 1.439 123 H LEU 15 HN LEU 15 28.909 -0.635 0.198 124 HA LEU 15 HA LEU 15 28.614 -2.621 -1.801 125 HB2 LEU 15 HB2 LEU 15 28.911 -0.196 -2.284 126 HB3 LEU 15 HB1 LEU 15 30.575 -0.310 -1.717 127 HG LEU 15 HG LEU 15 31.045 -2.008 -3.468 128 HD11 LEU 15 HD11 LEU 15 29.137 -1.912 -5.341 129 HD12 LEU 15 HD12 LEU 15 28.112 -1.647 -3.930 130 HD13 LEU 15 HD13 LEU 15 29.095 -3.107 -4.044 131 HD21 LEU 15 HD21 LEU 15 29.810 0.570 -4.487 132 HD22 LEU 15 HD22 LEU 15 30.918 -0.455 -5.398 133 HD23 LEU 15 HD23 LEU 15 31.473 0.365 -3.939 134 H LEU 16 HN LEU 16 31.095 -1.899 0.548 135 HA LEU 16 HA LEU 16 32.925 -3.870 -0.600 136 HB2 LEU 16 HB2 LEU 16 33.336 -2.273 1.924 137 HB3 LEU 16 HB1 LEU 16 34.558 -3.025 0.897 138 HG LEU 16 HG LEU 16 32.784 -0.676 0.176 139 HD11 LEU 16 HD11 LEU 16 35.802 -0.813 0.239 140 HD12 LEU 16 HD12 LEU 16 34.865 -0.375 1.667 141 HD13 LEU 16 HD13 LEU 16 34.774 0.621 0.215 142 HD21 LEU 16 HD21 LEU 16 34.630 -2.417 -1.454 143 HD22 LEU 16 HD22 LEU 16 34.339 -0.738 -1.909 144 HD23 LEU 16 HD23 LEU 16 32.995 -1.878 -1.841 145 H THR 17 HN THR 17 30.258 -4.014 1.250 146 HA THR 17 HA THR 17 31.275 -6.293 2.837 147 HB THR 17 HB THR 17 29.437 -4.066 3.586 148 HG1 THR 17 HG1 THR 17 30.718 -4.051 5.329 149 HG21 THR 17 HG21 THR 17 27.931 -5.846 3.984 150 HG22 THR 17 HG22 THR 17 28.732 -5.605 5.536 151 HG23 THR 17 HG23 THR 17 29.224 -6.935 4.488 152 H PHE 18 HN PHE 18 28.175 -4.931 1.705 153 HA PHE 18 HA PHE 18 26.586 -7.125 1.685 154 HB2 PHE 18 HB2 PHE 18 26.212 -4.691 0.739 155 HB3 PHE 18 HB1 PHE 18 26.593 -5.459 -0.802 156 HD1 PHE 18 HD1 PHE 18 24.424 -5.835 2.224 157 HD2 PHE 18 HD2 PHE 18 24.945 -6.677 -1.956 158 HE1 PHE 18 HE1 PHE 18 22.130 -6.776 2.127 159 HE2 PHE 18 HE2 PHE 18 22.654 -7.618 -2.053 160 HZ PHE 18 HZ PHE 18 21.247 -7.667 -0.013 161 H LEU 19 HN LEU 19 28.844 -6.261 -0.939 162 HA LEU 19 HA LEU 19 28.350 -8.646 -2.440 163 HB2 LEU 19 HB2 LEU 19 30.428 -6.474 -2.536 164 HB3 LEU 19 HB1 LEU 19 30.595 -7.912 -3.540 165 HG LEU 19 HG LEU 19 29.412 -5.981 -4.667 166 HD11 LEU 19 HD11 LEU 19 28.806 -8.721 -4.731 167 HD12 LEU 19 HD12 LEU 19 28.349 -7.516 -5.933 168 HD13 LEU 19 HD13 LEU 19 27.240 -7.919 -4.623 169 HD21 LEU 19 HD21 LEU 19 27.228 -5.333 -3.953 170 HD22 LEU 19 HD22 LEU 19 28.219 -5.344 -2.494 171 HD23 LEU 19 HD23 LEU 19 27.120 -6.683 -2.824 172 H ALA 20 HN ALA 20 31.101 -7.592 -0.425 173 HA ALA 20 HA ALA 20 32.755 -9.754 -0.606 174 HB1 ALA 20 HB1 ALA 20 33.530 -9.241 1.650 175 HB2 ALA 20 HB2 ALA 20 32.059 -8.323 1.967 176 HB3 ALA 20 HB3 ALA 20 33.216 -7.747 0.768 177 H PHE 21 HN PHE 21 30.091 -9.458 1.763 178 HA PHE 21 HA PHE 21 30.332 -12.244 2.502 179 HB2 PHE 21 HB2 PHE 21 28.391 -10.065 3.287 180 HB3 PHE 21 HB1 PHE 21 28.300 -11.716 3.904 181 HD1 PHE 21 HD1 PHE 21 30.502 -8.723 3.670 182 HD2 PHE 21 HD2 PHE 21 29.761 -12.478 5.619 183 HE1 PHE 21 HE1 PHE 21 32.251 -8.196 5.348 184 HE2 PHE 21 HE2 PHE 21 31.509 -11.950 7.299 185 HZ PHE 21 HZ PHE 21 32.752 -9.810 7.162 186 H GLY 22 HN GLY 22 28.137 -10.244 0.586 187 HA2 GLY 22 HA2 GLY 22 26.055 -12.039 0.160 188 HA3 GLY 22 HA1 GLY 22 26.567 -10.819 -1.001 189 H PHE 23 HN PHE 23 29.082 -11.669 -1.677 190 HA PHE 23 HA PHE 23 28.639 -13.548 -3.661 191 HB2 PHE 23 HB2 PHE 23 30.937 -12.202 -2.514 192 HB3 PHE 23 HB1 PHE 23 31.334 -13.856 -2.976 193 HD1 PHE 23 HD2 PHE 23 30.177 -14.590 -5.313 194 HD2 PHE 23 HD1 PHE 23 31.186 -10.574 -4.169 195 HE1 PHE 23 HE2 PHE 23 30.226 -13.921 -7.701 196 HE2 PHE 23 HE1 PHE 23 31.234 -9.906 -6.555 197 HZ PHE 23 HZ PHE 23 30.752 -11.580 -8.322 198 H TRP 24 HN TRP 24 29.004 -14.013 -0.301 199 HA TRP 24 HA TRP 24 29.534 -16.887 -0.651 200 HB2 TRP 24 HB2 TRP 24 31.092 -15.914 0.877 201 HB3 TRP 24 HB1 TRP 24 29.806 -15.070 1.742 202 HD1 TRP 24 HD1 TRP 24 30.463 -18.744 0.733 203 HE1 TRP 24 HE1 TRP 24 29.890 -20.249 2.752 204 HE3 TRP 24 HE3 TRP 24 29.004 -15.193 4.077 205 HZ2 TRP 24 HZ2 TRP 24 28.937 -19.971 5.430 206 HZ3 TRP 24 HZ3 TRP 24 28.265 -15.832 6.359 207 HH2 TRP 24 HH2 TRP 24 28.230 -18.215 7.037 208 H LEU 25 HN LEU 25 27.812 -15.031 1.822 209 HA LEU 25 HA LEU 25 26.033 -16.587 2.892 210 HB2 LEU 25 HB2 LEU 25 25.709 -13.856 1.805 211 HB3 LEU 25 HB1 LEU 25 24.221 -14.697 2.245 212 HG LEU 25 HG LEU 25 26.581 -14.679 4.116 213 HD11 LEU 25 HD11 LEU 25 25.641 -12.689 5.208 214 HD12 LEU 25 HD12 LEU 25 24.381 -12.594 3.977 215 HD13 LEU 25 HD13 LEU 25 26.066 -12.319 3.537 216 HD21 LEU 25 HD21 LEU 25 24.179 -15.995 4.182 217 HD22 LEU 25 HD22 LEU 25 23.788 -14.526 5.077 218 HD23 LEU 25 HD23 LEU 25 25.109 -15.563 5.617 219 H PHE 26 HN PHE 26 25.242 -15.264 -0.339 220 HA PHE 26 HA PHE 26 23.053 -17.092 -0.666 221 HB2 PHE 26 HB2 PHE 26 24.391 -15.597 -2.907 222 HB3 PHE 26 HB1 PHE 26 22.691 -16.040 -2.735 223 HD1 PHE 26 HD1 PHE 26 21.746 -15.189 -0.269 224 HD2 PHE 26 HD2 PHE 26 24.784 -13.311 -2.656 225 HE1 PHE 26 HE1 PHE 26 21.280 -13.024 0.842 226 HE2 PHE 26 HE2 PHE 26 24.319 -11.146 -1.542 227 HZ PHE 26 HZ PHE 26 22.572 -11.005 0.210 228 H LYS 27 HN LYS 27 26.024 -16.708 -2.602 229 HA LYS 27 HA LYS 27 25.889 -19.015 -4.071 230 HB2 LYS 27 HB2 LYS 27 28.487 -18.015 -2.907 231 HB3 LYS 27 HB1 LYS 27 28.227 -18.815 -4.456 232 HG2 LYS 27 HG2 LYS 27 27.299 -16.039 -3.659 233 HG3 LYS 27 HG1 LYS 27 28.496 -16.450 -4.886 234 HD2 LYS 27 HD2 LYS 27 26.562 -17.820 -5.972 235 HD3 LYS 27 HD1 LYS 27 25.511 -16.826 -4.962 236 HE2 LYS 27 HE2 LYS 27 27.122 -14.903 -5.990 237 HE3 LYS 27 HE1 LYS 27 27.140 -16.060 -7.321 238 HZ1 LYS 27 HZ1 LYS 27 24.982 -15.717 -7.767 239 HZ2 LYS 27 HZ2 LYS 27 25.227 -14.241 -6.961 240 HZ3 LYS 27 HZ3 LYS 27 24.544 -15.560 -6.136 241 H TYR 28 HN TYR 28 26.101 -18.882 -0.702 242 HA TYR 28 HA TYR 28 27.108 -21.669 -0.579 243 HB2 TYR 28 HB2 TYR 28 28.600 -20.820 0.875 244 HB3 TYR 28 HB1 TYR 28 27.709 -19.309 1.043 245 HD1 TYR 28 HD1 TYR 28 27.594 -22.907 2.037 246 HD2 TYR 28 HD2 TYR 28 26.460 -18.877 2.983 247 HE1 TYR 28 HE1 TYR 28 26.711 -23.671 4.229 248 HE2 TYR 28 HE2 TYR 28 25.579 -19.633 5.172 249 HH TYR 28 HH TYR 28 24.769 -21.664 6.222 250 H LEU 29 HN LEU 29 24.902 -19.376 1.036 251 HA LEU 29 HA LEU 29 23.422 -21.561 2.235 252 HB2 LEU 29 HB2 LEU 29 23.902 -19.218 3.255 253 HB3 LEU 29 HB1 LEU 29 22.543 -18.687 2.263 254 HG LEU 29 HG LEU 29 21.523 -20.960 3.394 255 HD11 LEU 29 HD11 LEU 29 23.253 -19.599 5.480 256 HD12 LEU 29 HD12 LEU 29 23.522 -21.215 4.826 257 HD13 LEU 29 HD13 LEU 29 22.083 -20.883 5.788 258 HD21 LEU 29 HD21 LEU 29 21.472 -18.120 4.458 259 HD22 LEU 29 HD22 LEU 29 20.328 -19.381 4.919 260 HD23 LEU 29 HD23 LEU 29 20.381 -18.806 3.253 261 H GLN 30 HN GLN 30 23.053 -19.310 -0.438 262 HA GLN 30 HA GLN 30 20.299 -20.119 -0.917 263 HB2 GLN 30 HB2 GLN 30 20.901 -17.804 -1.332 264 HB3 GLN 30 HB1 GLN 30 22.159 -18.300 -2.459 265 HG2 GLN 30 HG2 GLN 30 20.677 -18.806 -4.123 266 HG3 GLN 30 HG1 GLN 30 19.432 -19.340 -2.995 267 HE21 GLN 30 HE21 GLN 30 20.918 -16.225 -2.390 268 HE22 GLN 30 HE22 GLN 30 19.604 -15.285 -2.911 269 H LYS 31 HN LYS 31 23.379 -21.271 -1.687 270 HA LYS 31 HA LYS 31 22.335 -22.753 -4.027 271 HB2 LYS 31 HB2 LYS 31 25.012 -21.585 -3.412 272 HB3 LYS 31 HB1 LYS 31 24.951 -23.073 -4.355 273 HG2 LYS 31 HG2 LYS 31 24.916 -21.050 -5.800 274 HG3 LYS 31 HG1 LYS 31 23.459 -22.027 -5.981 275 HD2 LYS 31 HD2 LYS 31 22.119 -20.481 -4.909 276 HD3 LYS 31 HD1 LYS 31 23.443 -19.860 -3.920 277 HE2 LYS 31 HE2 LYS 31 24.413 -18.754 -5.888 278 HE3 LYS 31 HE1 LYS 31 23.118 -19.396 -6.899 279 HZ1 LYS 31 HZ1 LYS 31 22.654 -17.668 -4.533 280 HZ2 LYS 31 HZ2 LYS 31 21.516 -18.144 -5.702 281 HZ3 LYS 31 HZ3 LYS 31 22.769 -17.076 -6.119 282 H LYS 32 HN LYS 32 21.443 -24.004 -2.014 283 HA LYS 32 HA LYS 32 23.276 -26.263 -1.598 284 HB2 LYS 32 HB2 LYS 32 22.082 -26.258 0.809 285 HB3 LYS 32 HB1 LYS 32 23.618 -25.448 0.508 286 HG2 LYS 32 HG2 LYS 32 22.641 -23.330 0.423 287 HG3 LYS 32 HG1 LYS 32 21.047 -23.971 0.023 288 HD2 LYS 32 HD2 LYS 32 22.183 -24.815 2.639 289 HD3 LYS 32 HD1 LYS 32 21.699 -23.126 2.507 290 HE2 LYS 32 HE2 LYS 32 19.457 -23.683 1.999 291 HE3 LYS 32 HE1 LYS 32 19.874 -25.350 1.599 292 HZ1 LYS 32 HZ1 LYS 32 18.824 -24.788 3.888 293 HZ2 LYS 32 HZ2 LYS 32 20.408 -24.338 4.307 294 HZ3 LYS 32 HZ3 LYS 32 20.079 -25.924 3.793 Start of MODEL 11 1 H1 LYS 1 HT1 LYS 1 24.714 18.559 2.241 2 H2 LYS 1 HT2 LYS 1 24.793 17.567 0.863 3 H3 LYS 1 HT3 LYS 1 25.196 16.938 2.388 4 HA LYS 1 HA LYS 1 22.989 16.981 3.134 5 HB2 LYS 1 HB2 LYS 1 22.379 19.183 2.300 6 HB3 LYS 1 HB1 LYS 1 22.462 18.613 0.633 7 HG2 LYS 1 HG2 LYS 1 20.509 17.355 0.821 8 HG3 LYS 1 HG1 LYS 1 20.651 17.211 2.574 9 HD2 LYS 1 HD2 LYS 1 19.723 19.286 2.961 10 HD3 LYS 1 HD1 LYS 1 20.319 19.952 1.440 11 HE2 LYS 1 HE2 LYS 1 18.631 18.764 0.180 12 HE3 LYS 1 HE1 LYS 1 18.116 17.879 1.617 13 HZ1 LYS 1 HZ1 LYS 1 18.075 20.682 2.071 14 HZ2 LYS 1 HZ2 LYS 1 16.815 19.551 2.216 15 HZ3 LYS 1 HZ3 LYS 1 17.133 20.286 0.717 16 H LYS 2 HN LYS 2 24.650 16.050 0.390 17 HA LYS 2 HA LYS 2 22.944 14.582 -1.185 18 HB2 LYS 2 HB2 LYS 2 25.358 14.781 -1.618 19 HB3 LYS 2 HB1 LYS 2 25.694 13.738 -0.236 20 HG2 LYS 2 HG2 LYS 2 23.747 12.594 -2.122 21 HG3 LYS 2 HG1 LYS 2 25.340 12.860 -2.829 22 HD2 LYS 2 HD2 LYS 2 24.999 11.500 -0.152 23 HD3 LYS 2 HD1 LYS 2 24.951 10.598 -1.665 24 HE2 LYS 2 HE2 LYS 2 27.217 12.462 -1.478 25 HE3 LYS 2 HE1 LYS 2 27.243 11.187 -0.260 26 HZ1 LYS 2 HZ1 LYS 2 27.874 9.752 -1.800 27 HZ2 LYS 2 HZ2 LYS 2 27.903 10.993 -2.961 28 HZ3 LYS 2 HZ3 LYS 2 26.492 10.078 -2.726 29 H HIS 3 HN HIS 3 21.480 13.073 -0.732 30 HA HIS 3 HA HIS 3 20.270 11.546 0.525 31 HB2 HIS 3 HB2 HIS 3 22.006 10.235 -0.778 32 HB3 HIS 3 HB1 HIS 3 22.961 10.184 0.704 33 HD2 HIS 3 HD2 HIS 3 22.371 7.308 0.720 34 HE1 HIS 3 HE1 HIS 3 18.374 7.865 1.955 35 HE2 HIS 3 HE2 HIS 3 20.221 6.151 1.650 36 H THR 4 HN THR 4 22.352 9.926 2.387 37 HA THR 4 HA THR 4 22.067 11.736 4.710 38 HB THR 4 HB THR 4 20.379 10.077 5.017 39 HG1 THR 4 HG1 THR 4 21.536 8.729 6.705 40 HG21 THR 4 HG21 THR 4 21.747 7.612 5.059 41 HG22 THR 4 HG22 THR 4 22.257 8.418 3.575 42 HG23 THR 4 HG23 THR 4 20.544 8.144 3.887 43 H ILE 5 HN ILE 5 23.258 8.671 5.431 44 HA ILE 5 HA ILE 5 26.051 9.634 5.303 45 HB ILE 5 HB ILE 5 26.336 8.023 7.299 46 HG12 ILE 5 HG12 ILE 5 23.556 8.602 8.076 47 HG13 ILE 5 HG11 ILE 5 23.694 7.449 6.747 48 HG21 ILE 5 HG21 ILE 5 26.577 10.365 7.657 49 HG22 ILE 5 HG22 ILE 5 25.404 9.830 8.861 50 HG23 ILE 5 HG23 ILE 5 24.855 10.656 7.403 51 HD11 ILE 5 HD11 ILE 5 25.046 5.973 8.027 52 HD12 ILE 5 HD12 ILE 5 23.747 6.466 9.115 53 HD13 ILE 5 HD13 ILE 5 25.346 7.196 9.260 54 H TRP 6 HN TRP 6 23.796 7.098 4.623 55 HA TRP 6 HA TRP 6 25.276 4.824 4.374 56 HB2 TRP 6 HB2 TRP 6 22.907 5.898 3.118 57 HB3 TRP 6 HB1 TRP 6 23.850 4.971 1.952 58 HD1 TRP 6 HD1 TRP 6 22.641 2.716 1.877 59 HE1 TRP 6 HE1 TRP 6 22.002 0.926 3.611 60 HE3 TRP 6 HE3 TRP 6 23.835 5.197 6.168 61 HZ2 TRP 6 HZ2 TRP 6 21.996 0.593 6.446 62 HZ3 TRP 6 HZ3 TRP 6 23.504 4.122 8.377 63 HH2 TRP 6 HH2 TRP 6 22.586 1.823 8.522 64 H GLU 7 HN GLU 7 24.913 7.144 1.680 65 HA GLU 7 HA GLU 7 26.845 6.071 0.006 66 HB2 GLU 7 HB2 GLU 7 25.402 8.583 0.251 67 HB3 GLU 7 HB1 GLU 7 27.022 8.808 -0.414 68 HG2 GLU 7 HG2 GLU 7 25.091 6.707 -1.425 69 HG3 GLU 7 HG1 GLU 7 25.220 8.316 -2.132 70 H VAL 8 HN VAL 8 27.343 7.404 3.049 71 HA VAL 8 HA VAL 8 30.115 8.188 2.432 72 HB VAL 8 HB VAL 8 28.757 8.602 5.086 73 HG11 VAL 8 HG11 VAL 8 30.701 10.485 3.847 74 HG12 VAL 8 HG12 VAL 8 31.331 8.925 4.377 75 HG13 VAL 8 HG13 VAL 8 30.530 9.991 5.531 76 HG21 VAL 8 HG21 VAL 8 28.111 10.847 4.271 77 HG22 VAL 8 HG22 VAL 8 27.307 9.588 3.335 78 HG23 VAL 8 HG23 VAL 8 28.702 10.432 2.662 79 H ILE 9 HN ILE 9 28.181 6.021 4.451 80 HA ILE 9 HA ILE 9 30.658 4.622 5.230 81 HB ILE 9 HB ILE 9 29.752 5.267 7.245 82 HG12 ILE 9 HG12 ILE 9 29.618 2.594 6.782 83 HG13 ILE 9 HG11 ILE 9 29.239 3.334 8.323 84 HG21 ILE 9 HG21 ILE 9 27.848 6.439 6.516 85 HG22 ILE 9 HG22 ILE 9 27.251 5.256 7.672 86 HG23 ILE 9 HG23 ILE 9 27.055 4.975 5.940 87 HD11 ILE 9 HD11 ILE 9 27.511 1.678 7.403 88 HD12 ILE 9 HD12 ILE 9 27.106 2.916 6.222 89 HD13 ILE 9 HD13 ILE 9 26.898 3.241 7.939 90 H ALA 10 HN ALA 10 27.279 4.165 4.244 91 HA ALA 10 HA ALA 10 27.527 1.341 3.869 92 HB1 ALA 10 HB1 ALA 10 25.538 3.255 2.625 93 HB2 ALA 10 HB2 ALA 10 25.354 2.490 4.205 94 HB3 ALA 10 HB3 ALA 10 25.373 1.504 2.744 95 H GLY 11 HN GLY 11 26.998 3.871 1.396 96 HA2 GLY 11 HA2 GLY 11 27.694 2.369 -0.825 97 HA3 GLY 11 HA1 GLY 11 27.906 4.116 -0.715 98 H LEU 12 HN LEU 12 29.607 3.351 1.780 99 HA LEU 12 HA LEU 12 32.105 3.059 0.269 100 HB2 LEU 12 HB2 LEU 12 31.701 5.042 1.835 101 HB3 LEU 12 HB1 LEU 12 31.857 3.885 3.158 102 HG LEU 12 HG LEU 12 34.048 3.195 1.788 103 HD11 LEU 12 HD11 LEU 12 33.949 6.169 1.293 104 HD12 LEU 12 HD12 LEU 12 33.385 5.024 0.075 105 HD13 LEU 12 HD13 LEU 12 35.063 4.979 0.618 106 HD21 LEU 12 HD21 LEU 12 35.308 4.768 3.261 107 HD22 LEU 12 HD22 LEU 12 34.027 3.919 4.125 108 HD23 LEU 12 HD23 LEU 12 33.794 5.594 3.629 109 H VAL 13 HN VAL 13 30.090 1.557 2.683 110 HA VAL 13 HA VAL 13 32.129 -0.561 3.058 111 HB VAL 13 HB VAL 13 29.852 0.230 4.891 112 HG11 VAL 13 HG11 VAL 13 31.915 -1.976 4.969 113 HG12 VAL 13 HG12 VAL 13 30.165 -2.112 5.134 114 HG13 VAL 13 HG13 VAL 13 31.119 -1.393 6.430 115 HG21 VAL 13 HG21 VAL 13 31.459 1.245 6.260 116 HG22 VAL 13 HG22 VAL 13 32.053 1.659 4.653 117 HG23 VAL 13 HG23 VAL 13 32.786 0.329 5.548 118 H ALA 14 HN ALA 14 28.587 -0.094 2.989 119 HA ALA 14 HA ALA 14 27.729 -2.673 2.731 120 HB1 ALA 14 HB1 ALA 14 26.718 -0.343 1.080 121 HB2 ALA 14 HB2 ALA 14 26.234 -0.691 2.739 122 HB3 ALA 14 HB3 ALA 14 25.832 -1.822 1.447 123 H LEU 15 HN LEU 15 28.901 -0.597 0.079 124 HA LEU 15 HA LEU 15 28.648 -2.560 -1.941 125 HB2 LEU 15 HB2 LEU 15 28.934 -0.130 -2.395 126 HB3 LEU 15 HB1 LEU 15 30.592 -0.236 -1.805 127 HG LEU 15 HG LEU 15 31.099 -1.908 -3.572 128 HD11 LEU 15 HD11 LEU 15 29.218 -1.811 -5.467 129 HD12 LEU 15 HD12 LEU 15 28.170 -1.568 -4.069 130 HD13 LEU 15 HD13 LEU 15 29.166 -3.018 -4.182 131 HD21 LEU 15 HD21 LEU 15 29.839 0.650 -4.613 132 HD22 LEU 15 HD22 LEU 15 31.025 -0.337 -5.469 133 HD23 LEU 15 HD23 LEU 15 31.481 0.501 -3.985 134 H LEU 16 HN LEU 16 31.096 -1.862 0.445 135 HA LEU 16 HA LEU 16 32.941 -3.817 -0.712 136 HB2 LEU 16 HB2 LEU 16 33.354 -2.221 1.810 137 HB3 LEU 16 HB1 LEU 16 34.575 -2.962 0.774 138 HG LEU 16 HG LEU 16 32.783 -0.623 0.068 139 HD11 LEU 16 HD11 LEU 16 35.799 -0.726 0.084 140 HD12 LEU 16 HD12 LEU 16 34.890 -0.337 1.545 141 HD13 LEU 16 HD13 LEU 16 34.750 0.691 0.118 142 HD21 LEU 16 HD21 LEU 16 34.625 -2.352 -1.578 143 HD22 LEU 16 HD22 LEU 16 34.322 -0.674 -2.028 144 HD23 LEU 16 HD23 LEU 16 32.986 -1.822 -1.951 145 H THR 17 HN THR 17 30.269 -4.012 1.097 146 HA THR 17 HA THR 17 31.305 -6.272 2.697 147 HB THR 17 HB THR 17 29.424 -4.076 3.449 148 HG1 THR 17 HG1 THR 17 30.644 -4.253 5.350 149 HG21 THR 17 HG21 THR 17 27.978 -5.891 3.876 150 HG22 THR 17 HG22 THR 17 28.800 -5.639 5.415 151 HG23 THR 17 HG23 THR 17 29.308 -6.949 4.351 152 H PHE 18 HN PHE 18 28.216 -4.923 1.524 153 HA PHE 18 HA PHE 18 26.610 -7.101 1.515 154 HB2 PHE 18 HB2 PHE 18 26.269 -4.689 0.513 155 HB3 PHE 18 HB1 PHE 18 26.691 -5.482 -1.004 156 HD1 PHE 18 HD2 PHE 18 24.451 -5.844 1.976 157 HD2 PHE 18 HD1 PHE 18 25.053 -6.670 -2.195 158 HE1 PHE 18 HE2 PHE 18 22.154 -6.771 1.826 159 HE2 PHE 18 HE1 PHE 18 22.758 -7.598 -2.345 160 HZ PHE 18 HZ PHE 18 21.309 -7.647 -0.334 161 H LEU 19 HN LEU 19 28.936 -6.321 -1.074 162 HA LEU 19 HA LEU 19 28.448 -8.733 -2.533 163 HB2 LEU 19 HB2 LEU 19 30.549 -6.584 -2.632 164 HB3 LEU 19 HB1 LEU 19 30.727 -8.048 -3.595 165 HG LEU 19 HG LEU 19 29.591 -6.137 -4.799 166 HD11 LEU 19 HD11 LEU 19 28.540 -7.691 -6.052 167 HD12 LEU 19 HD12 LEU 19 27.400 -8.051 -4.759 168 HD13 LEU 19 HD13 LEU 19 28.959 -8.870 -4.810 169 HD21 LEU 19 HD21 LEU 19 27.397 -5.451 -4.158 170 HD22 LEU 19 HD22 LEU 19 28.354 -5.427 -2.677 171 HD23 LEU 19 HD23 LEU 19 27.251 -6.765 -2.992 172 H ALA 20 HN ALA 20 31.123 -7.664 -0.426 173 HA ALA 20 HA ALA 20 32.763 -9.859 -0.536 174 HB1 ALA 20 HB1 ALA 20 33.823 -8.750 1.096 175 HB2 ALA 20 HB2 ALA 20 32.498 -9.059 2.218 176 HB3 ALA 20 HB3 ALA 20 32.456 -7.638 1.175 177 H PHE 21 HN PHE 21 30.046 -9.438 1.750 178 HA PHE 21 HA PHE 21 30.218 -12.194 2.605 179 HB2 PHE 21 HB2 PHE 21 28.279 -9.960 3.222 180 HB3 PHE 21 HB1 PHE 21 28.137 -11.581 3.900 181 HD1 PHE 21 HD2 PHE 21 30.566 -8.760 3.515 182 HD2 PHE 21 HD1 PHE 21 29.341 -12.163 5.832 183 HE1 PHE 21 HE2 PHE 21 32.246 -8.185 5.247 184 HE2 PHE 21 HE1 PHE 21 31.020 -11.589 7.563 185 HZ PHE 21 HZ PHE 21 32.472 -9.601 7.270 186 H GLY 22 HN GLY 22 28.171 -10.250 0.491 187 HA2 GLY 22 HA2 GLY 22 26.068 -12.035 0.063 188 HA3 GLY 22 HA1 GLY 22 26.634 -10.855 -1.112 189 H PHE 23 HN PHE 23 29.177 -11.755 -1.647 190 HA PHE 23 HA PHE 23 28.779 -13.689 -3.595 191 HB2 PHE 23 HB2 PHE 23 31.051 -12.317 -2.428 192 HB3 PHE 23 HB1 PHE 23 31.449 -13.991 -2.810 193 HD1 PHE 23 HD1 PHE 23 30.364 -14.819 -5.147 194 HD2 PHE 23 HD2 PHE 23 31.362 -10.762 -4.143 195 HE1 PHE 23 HE1 PHE 23 30.490 -14.252 -7.558 196 HE2 PHE 23 HE2 PHE 23 31.488 -10.197 -6.552 197 HZ PHE 23 HZ PHE 23 31.050 -11.942 -8.261 198 H TRP 24 HN TRP 24 28.950 -14.048 -0.226 199 HA TRP 24 HA TRP 24 29.506 -16.932 -0.447 200 HB2 TRP 24 HB2 TRP 24 31.005 -15.904 1.108 201 HB3 TRP 24 HB1 TRP 24 29.686 -15.031 1.890 202 HD1 TRP 24 HD1 TRP 24 30.370 -18.740 1.038 203 HE1 TRP 24 HE1 TRP 24 29.715 -20.169 3.087 204 HE3 TRP 24 HE3 TRP 24 28.796 -15.066 4.193 205 HZ2 TRP 24 HZ2 TRP 24 28.660 -19.793 5.714 206 HZ3 TRP 24 HZ3 TRP 24 27.969 -15.622 6.466 207 HH2 TRP 24 HH2 TRP 24 27.898 -17.978 7.229 208 H LEU 25 HN LEU 25 27.696 -14.988 1.894 209 HA LEU 25 HA LEU 25 25.858 -16.510 2.927 210 HB2 LEU 25 HB2 LEU 25 25.604 -13.801 1.766 211 HB3 LEU 25 HB1 LEU 25 24.094 -14.620 2.164 212 HG LEU 25 HG LEU 25 26.373 -14.584 4.130 213 HD11 LEU 25 HD11 LEU 25 24.217 -12.467 3.844 214 HD12 LEU 25 HD12 LEU 25 25.925 -12.233 3.477 215 HD13 LEU 25 HD13 LEU 25 25.415 -12.554 5.134 216 HD21 LEU 25 HD21 LEU 25 24.818 -15.393 5.596 217 HD22 LEU 25 HD22 LEU 25 23.963 -15.870 4.132 218 HD23 LEU 25 HD23 LEU 25 23.535 -14.369 4.953 219 H PHE 26 HN PHE 26 25.251 -15.267 -0.372 220 HA PHE 26 HA PHE 26 23.053 -17.081 -0.764 221 HB2 PHE 26 HB2 PHE 26 24.516 -15.651 -2.971 222 HB3 PHE 26 HB1 PHE 26 22.806 -16.070 -2.872 223 HD1 PHE 26 HD2 PHE 26 21.772 -15.155 -0.452 224 HD2 PHE 26 HD1 PHE 26 24.900 -13.356 -2.785 225 HE1 PHE 26 HE2 PHE 26 21.280 -12.958 0.580 226 HE2 PHE 26 HE1 PHE 26 24.406 -11.159 -1.751 227 HZ PHE 26 HZ PHE 26 22.601 -10.961 -0.065 228 H LYS 27 HN LYS 27 26.132 -16.767 -2.541 229 HA LYS 27 HA LYS 27 26.045 -19.110 -3.964 230 HB2 LYS 27 HB2 LYS 27 28.597 -18.109 -2.705 231 HB3 LYS 27 HB1 LYS 27 28.396 -18.932 -4.249 232 HG2 LYS 27 HG2 LYS 27 27.464 -16.133 -3.546 233 HG3 LYS 27 HG1 LYS 27 28.714 -16.578 -4.704 234 HD2 LYS 27 HD2 LYS 27 26.860 -17.921 -5.901 235 HD3 LYS 27 HD1 LYS 27 25.733 -16.989 -4.913 236 HE2 LYS 27 HE2 LYS 27 27.846 -15.774 -6.721 237 HE3 LYS 27 HE1 LYS 27 26.138 -15.933 -7.135 238 HZ1 LYS 27 HZ1 LYS 27 25.792 -14.030 -6.089 239 HZ2 LYS 27 HZ2 LYS 27 27.405 -13.960 -5.559 240 HZ3 LYS 27 HZ3 LYS 27 26.236 -14.770 -4.628 241 H TYR 28 HN TYR 28 26.096 -18.886 -0.594 242 HA TYR 28 HA TYR 28 27.083 -21.672 -0.345 243 HB2 TYR 28 HB2 TYR 28 28.501 -20.781 1.159 244 HB3 TYR 28 HB1 TYR 28 27.602 -19.269 1.247 245 HD1 TYR 28 HD2 TYR 28 27.451 -22.843 2.323 246 HD2 TYR 28 HD1 TYR 28 26.249 -18.799 3.107 247 HE1 TYR 28 HE2 TYR 28 26.468 -23.555 4.489 248 HE2 TYR 28 HE1 TYR 28 25.268 -19.503 5.271 249 HH TYR 28 HH TYR 28 25.931 -22.442 6.716 250 H LEU 29 HN LEU 29 24.795 -19.329 1.066 251 HA LEU 29 HA LEU 29 23.240 -21.468 2.253 252 HB2 LEU 29 HB2 LEU 29 23.655 -19.058 3.179 253 HB3 LEU 29 HB1 LEU 29 22.332 -18.611 2.101 254 HG LEU 29 HG LEU 29 21.278 -20.819 3.284 255 HD11 LEU 29 HD11 LEU 29 21.778 -20.731 5.677 256 HD12 LEU 29 HD12 LEU 29 22.928 -19.422 5.406 257 HD13 LEU 29 HD13 LEU 29 23.261 -21.032 4.770 258 HD21 LEU 29 HD21 LEU 29 21.223 -17.929 4.187 259 HD22 LEU 29 HD22 LEU 29 20.120 -19.155 4.811 260 HD23 LEU 29 HD23 LEU 29 20.091 -18.733 3.098 261 H GLN 30 HN GLN 30 22.910 -19.146 -0.397 262 HA GLN 30 HA GLN 30 20.256 -20.033 -1.097 263 HB2 GLN 30 HB2 GLN 30 20.944 -17.735 -1.542 264 HB3 GLN 30 HB1 GLN 30 22.243 -18.305 -2.585 265 HG2 GLN 30 HG2 GLN 30 20.844 -18.780 -4.311 266 HG3 GLN 30 HG1 GLN 30 19.551 -19.331 -3.246 267 HE21 GLN 30 HE21 GLN 30 21.007 -16.179 -2.657 268 HE22 GLN 30 HE22 GLN 30 19.686 -15.264 -3.207 269 H LYS 31 HN LYS 31 23.386 -21.209 -1.615 270 HA LYS 31 HA LYS 31 22.475 -22.832 -3.918 271 HB2 LYS 31 HB2 LYS 31 25.095 -21.538 -3.303 272 HB3 LYS 31 HB1 LYS 31 25.108 -23.081 -4.155 273 HG2 LYS 31 HG2 LYS 31 25.059 -21.188 -5.742 274 HG3 LYS 31 HG1 LYS 31 23.594 -22.162 -5.865 275 HD2 LYS 31 HD2 LYS 31 22.261 -20.519 -4.979 276 HD3 LYS 31 HD1 LYS 31 23.537 -19.900 -3.930 277 HE2 LYS 31 HE2 LYS 31 24.654 -18.879 -5.866 278 HE3 LYS 31 HE1 LYS 31 23.409 -19.521 -6.937 279 HZ1 LYS 31 HZ1 LYS 31 22.501 -17.957 -4.654 280 HZ2 LYS 31 HZ2 LYS 31 21.897 -18.018 -6.241 281 HZ3 LYS 31 HZ3 LYS 31 23.286 -17.102 -5.890 282 H LYS 32 HN LYS 32 21.556 -24.057 -1.958 283 HA LYS 32 HA LYS 32 23.412 -26.230 -1.370 284 HB2 LYS 32 HB2 LYS 32 22.899 -26.185 1.046 285 HB3 LYS 32 HB1 LYS 32 23.737 -24.721 0.531 286 HG2 LYS 32 HG2 LYS 32 22.047 -23.603 1.542 287 HG3 LYS 32 HG1 LYS 32 21.084 -24.060 0.136 288 HD2 LYS 32 HD2 LYS 32 20.370 -26.121 1.294 289 HD3 LYS 32 HD1 LYS 32 21.324 -25.657 2.704 290 HE2 LYS 32 HE2 LYS 32 19.909 -23.871 3.238 291 HE3 LYS 32 HE1 LYS 32 19.271 -23.759 1.598 292 HZ1 LYS 32 HZ1 LYS 32 18.705 -26.314 2.549 293 HZ2 LYS 32 HZ2 LYS 32 17.611 -25.060 2.211 294 HZ3 LYS 32 HZ3 LYS 32 18.261 -25.225 3.772 Start of MODEL 12 1 H1 LYS 1 HT1 LYS 1 22.882 18.854 -0.320 2 H2 LYS 1 HT2 LYS 1 22.975 17.189 0.002 3 H3 LYS 1 HT3 LYS 1 21.915 17.768 -1.193 4 HA LYS 1 HA LYS 1 23.586 18.204 -2.693 5 HB2 LYS 1 HB2 LYS 1 25.020 19.562 -1.347 6 HB3 LYS 1 HB1 LYS 1 25.373 18.224 -0.251 7 HG2 LYS 1 HG2 LYS 1 26.718 17.116 -1.847 8 HG3 LYS 1 HG1 LYS 1 26.062 18.062 -3.183 9 HD2 LYS 1 HD2 LYS 1 27.383 19.612 -1.025 10 HD3 LYS 1 HD1 LYS 1 28.444 18.614 -2.019 11 HE2 LYS 1 HE2 LYS 1 27.582 19.662 -4.053 12 HE3 LYS 1 HE1 LYS 1 26.435 20.609 -3.104 13 HZ1 LYS 1 HZ1 LYS 1 28.340 21.609 -1.944 14 HZ2 LYS 1 HZ2 LYS 1 28.349 21.939 -3.611 15 HZ3 LYS 1 HZ3 LYS 1 29.398 20.766 -2.968 16 H LYS 2 HN LYS 2 23.904 15.901 -0.041 17 HA LYS 2 HA LYS 2 24.291 13.758 -2.016 18 HB2 LYS 2 HB2 LYS 2 26.540 14.300 -1.224 19 HB3 LYS 2 HB1 LYS 2 26.005 14.143 0.450 20 HG2 LYS 2 HG2 LYS 2 25.620 11.803 0.215 21 HG3 LYS 2 HG1 LYS 2 25.734 11.886 -1.544 22 HD2 LYS 2 HD2 LYS 2 27.806 10.958 -0.610 23 HD3 LYS 2 HD1 LYS 2 28.121 12.532 -1.344 24 HE2 LYS 2 HE2 LYS 2 27.445 12.339 1.583 25 HE3 LYS 2 HE1 LYS 2 29.092 12.038 1.030 26 HZ1 LYS 2 HZ1 LYS 2 27.840 14.496 1.433 27 HZ2 LYS 2 HZ2 LYS 2 28.112 14.342 -0.237 28 HZ3 LYS 2 HZ3 LYS 2 29.408 14.205 0.852 29 H HIS 3 HN HIS 3 23.801 11.624 -1.153 30 HA HIS 3 HA HIS 3 21.389 11.453 0.188 31 HB2 HIS 3 HB2 HIS 3 22.578 9.631 -1.126 32 HB3 HIS 3 HB1 HIS 3 23.526 9.323 0.330 33 HD2 HIS 3 HD2 HIS 3 22.170 6.821 0.731 34 HE1 HIS 3 HE1 HIS 3 18.422 8.557 1.605 35 HE2 HIS 3 HE2 HIS 3 19.755 6.396 1.631 36 H THR 4 HN THR 4 21.346 9.889 2.301 37 HA THR 4 HA THR 4 21.926 11.538 4.481 38 HB THR 4 HB THR 4 20.267 9.836 4.740 39 HG1 THR 4 HG1 THR 4 21.596 10.270 6.576 40 HG21 THR 4 HG21 THR 4 21.677 7.408 4.849 41 HG22 THR 4 HG22 THR 4 22.261 8.219 3.397 42 HG23 THR 4 HG23 THR 4 20.537 7.914 3.604 43 H ILE 5 HN ILE 5 23.147 8.549 5.343 44 HA ILE 5 HA ILE 5 25.926 9.562 5.271 45 HB ILE 5 HB ILE 5 26.184 7.947 7.264 46 HG12 ILE 5 HG12 ILE 5 23.358 8.430 7.938 47 HG13 ILE 5 HG11 ILE 5 23.588 7.290 6.611 48 HG21 ILE 5 HG21 ILE 5 26.334 10.296 7.645 49 HG22 ILE 5 HG22 ILE 5 25.145 9.708 8.806 50 HG23 ILE 5 HG23 ILE 5 24.612 10.529 7.339 51 HD11 ILE 5 HD11 ILE 5 24.932 5.852 7.937 52 HD12 ILE 5 HD12 ILE 5 23.582 6.301 8.979 53 HD13 ILE 5 HD13 ILE 5 25.152 7.079 9.183 54 H TRP 6 HN TRP 6 23.760 6.951 4.550 55 HA TRP 6 HA TRP 6 25.291 4.722 4.311 56 HB2 TRP 6 HB2 TRP 6 22.951 5.770 2.982 57 HB3 TRP 6 HB1 TRP 6 23.951 4.872 1.841 58 HD1 TRP 6 HD1 TRP 6 22.771 2.611 1.690 59 HE1 TRP 6 HE1 TRP 6 22.099 0.781 3.372 60 HE3 TRP 6 HE3 TRP 6 23.791 5.030 6.059 61 HZ2 TRP 6 HZ2 TRP 6 22.009 0.398 6.199 62 HZ3 TRP 6 HZ3 TRP 6 23.403 3.913 8.237 63 HH2 TRP 6 HH2 TRP 6 22.513 1.599 8.314 64 H GLU 7 HN GLU 7 24.901 6.867 1.492 65 HA GLU 7 HA GLU 7 26.947 5.917 -0.060 66 HB2 GLU 7 HB2 GLU 7 25.772 8.651 0.280 67 HB3 GLU 7 HB1 GLU 7 27.143 8.415 -0.805 68 HG2 GLU 7 HG2 GLU 7 24.651 6.709 -0.941 69 HG3 GLU 7 HG1 GLU 7 24.832 8.195 -1.871 70 H VAL 8 HN VAL 8 27.283 7.440 2.977 71 HA VAL 8 HA VAL 8 30.065 8.204 2.442 72 HB VAL 8 HB VAL 8 28.670 8.612 5.073 73 HG11 VAL 8 HG11 VAL 8 31.223 9.018 4.386 74 HG12 VAL 8 HG12 VAL 8 30.371 10.109 5.480 75 HG13 VAL 8 HG13 VAL 8 30.549 10.531 3.777 76 HG21 VAL 8 HG21 VAL 8 28.539 10.403 2.622 77 HG22 VAL 8 HG22 VAL 8 27.930 10.814 4.224 78 HG23 VAL 8 HG23 VAL 8 27.179 9.511 3.305 79 H ILE 9 HN ILE 9 28.140 5.981 4.406 80 HA ILE 9 HA ILE 9 30.636 4.664 5.261 81 HB ILE 9 HB ILE 9 29.678 5.296 7.252 82 HG12 ILE 9 HG12 ILE 9 29.626 2.623 6.811 83 HG13 ILE 9 HG11 ILE 9 29.177 3.360 8.336 84 HG21 ILE 9 HG21 ILE 9 27.016 4.932 5.895 85 HG22 ILE 9 HG22 ILE 9 27.758 6.416 6.489 86 HG23 ILE 9 HG23 ILE 9 27.166 5.219 7.631 87 HD11 ILE 9 HD11 ILE 9 27.531 1.647 7.366 88 HD12 ILE 9 HD12 ILE 9 27.123 2.873 6.173 89 HD13 ILE 9 HD13 ILE 9 26.856 3.191 7.883 90 H ALA 10 HN ALA 10 27.307 4.125 4.174 91 HA ALA 10 HA ALA 10 27.610 1.300 3.849 92 HB1 ALA 10 HB1 ALA 10 25.506 1.426 2.612 93 HB2 ALA 10 HB2 ALA 10 25.646 3.181 2.517 94 HB3 ALA 10 HB3 ALA 10 25.406 2.397 4.078 95 H GLY 11 HN GLY 11 27.136 3.785 1.319 96 HA2 GLY 11 HA2 GLY 11 27.962 2.266 -0.848 97 HA3 GLY 11 HA1 GLY 11 28.133 4.020 -0.754 98 H LEU 12 HN LEU 12 29.731 3.349 1.821 99 HA LEU 12 HA LEU 12 32.308 3.104 0.446 100 HB2 LEU 12 HB2 LEU 12 31.778 5.069 1.993 101 HB3 LEU 12 HB1 LEU 12 31.870 3.910 3.319 102 HG LEU 12 HG LEU 12 34.159 3.266 2.106 103 HD11 LEU 12 HD11 LEU 12 34.160 6.226 1.623 104 HD12 LEU 12 HD12 LEU 12 33.489 5.163 0.387 105 HD13 LEU 12 HD13 LEU 12 35.167 4.976 0.894 106 HD21 LEU 12 HD21 LEU 12 34.006 3.991 4.424 107 HD22 LEU 12 HD22 LEU 12 33.705 5.655 3.920 108 HD23 LEU 12 HD23 LEU 12 35.281 4.918 3.632 109 H VAL 13 HN VAL 13 30.205 1.556 2.749 110 HA VAL 13 HA VAL 13 32.244 -0.550 3.189 111 HB VAL 13 HB VAL 13 29.945 0.243 4.992 112 HG11 VAL 13 HG11 VAL 13 32.090 -1.885 5.178 113 HG12 VAL 13 HG12 VAL 13 30.341 -2.115 5.203 114 HG13 VAL 13 HG13 VAL 13 31.149 -1.344 6.568 115 HG21 VAL 13 HG21 VAL 13 32.870 0.411 5.673 116 HG22 VAL 13 HG22 VAL 13 31.518 1.305 6.367 117 HG23 VAL 13 HG23 VAL 13 32.117 1.716 4.759 118 H ALA 14 HN ALA 14 28.695 -0.101 3.154 119 HA ALA 14 HA ALA 14 27.867 -2.687 2.869 120 HB1 ALA 14 HB1 ALA 14 25.964 -1.810 1.532 121 HB2 ALA 14 HB2 ALA 14 26.812 -0.271 1.378 122 HB3 ALA 14 HB3 ALA 14 26.287 -0.834 2.965 123 H LEU 15 HN LEU 15 29.146 -0.577 0.316 124 HA LEU 15 HA LEU 15 28.810 -2.482 -1.779 125 HB2 LEU 15 HB2 LEU 15 29.104 -0.031 -2.162 126 HB3 LEU 15 HB1 LEU 15 30.773 -0.177 -1.613 127 HG LEU 15 HG LEU 15 31.208 -1.818 -3.433 128 HD11 LEU 15 HD11 LEU 15 28.281 -1.389 -3.865 129 HD12 LEU 15 HD12 LEU 15 29.241 -2.856 -4.054 130 HD13 LEU 15 HD13 LEU 15 29.294 -1.601 -5.292 131 HD21 LEU 15 HD21 LEU 15 31.506 0.700 -3.686 132 HD22 LEU 15 HD22 LEU 15 29.964 0.708 -4.545 133 HD23 LEU 15 HD23 LEU 15 31.331 -0.198 -5.195 134 H LEU 16 HN LEU 16 31.307 -1.793 0.571 135 HA LEU 16 HA LEU 16 33.144 -3.728 -0.621 136 HB2 LEU 16 HB2 LEU 16 33.523 -2.219 1.963 137 HB3 LEU 16 HB1 LEU 16 34.758 -2.929 0.924 138 HG LEU 16 HG LEU 16 32.983 -0.564 0.263 139 HD11 LEU 16 HD11 LEU 16 36.000 -0.682 0.355 140 HD12 LEU 16 HD12 LEU 16 35.048 -0.315 1.792 141 HD13 LEU 16 HD13 LEU 16 34.960 0.741 0.384 142 HD21 LEU 16 HD21 LEU 16 34.597 -0.558 -1.794 143 HD22 LEU 16 HD22 LEU 16 33.224 -1.664 -1.798 144 HD23 LEU 16 HD23 LEU 16 34.835 -2.260 -1.400 145 H THR 17 HN THR 17 30.463 -3.935 1.198 146 HA THR 17 HA THR 17 31.460 -6.264 2.724 147 HB THR 17 HB THR 17 29.634 -4.043 3.511 148 HG1 THR 17 HG1 THR 17 31.566 -4.002 4.474 149 HG21 THR 17 HG21 THR 17 28.823 -5.623 5.378 150 HG22 THR 17 HG22 THR 17 29.322 -6.936 4.312 151 HG23 THR 17 HG23 THR 17 28.073 -5.803 3.792 152 H PHE 18 HN PHE 18 28.356 -4.887 1.612 153 HA PHE 18 HA PHE 18 26.832 -7.140 1.470 154 HB2 PHE 18 HB2 PHE 18 26.301 -4.681 0.783 155 HB3 PHE 18 HB1 PHE 18 26.775 -5.211 -0.831 156 HD1 PHE 18 HD2 PHE 18 24.397 -5.770 1.956 157 HD2 PHE 18 HD1 PHE 18 25.408 -6.731 -2.107 158 HE1 PHE 18 HE2 PHE 18 22.178 -6.833 1.653 159 HE2 PHE 18 HE1 PHE 18 23.190 -7.794 -2.409 160 HZ PHE 18 HZ PHE 18 21.573 -7.845 -0.528 161 H LEU 19 HN LEU 19 29.218 -6.064 -0.925 162 HA LEU 19 HA LEU 19 28.695 -8.226 -2.742 163 HB2 LEU 19 HB2 LEU 19 30.842 -6.129 -2.511 164 HB3 LEU 19 HB1 LEU 19 30.981 -7.431 -3.688 165 HG LEU 19 HG LEU 19 29.901 -5.331 -4.586 166 HD11 LEU 19 HD11 LEU 19 27.653 -7.179 -4.800 167 HD12 LEU 19 HD12 LEU 19 29.195 -8.003 -5.016 168 HD13 LEU 19 HD13 LEU 19 28.775 -6.637 -6.045 169 HD21 LEU 19 HD21 LEU 19 28.690 -4.931 -2.358 170 HD22 LEU 19 HD22 LEU 19 27.531 -6.144 -2.899 171 HD23 LEU 19 HD23 LEU 19 27.751 -4.660 -3.826 172 H ALA 20 HN ALA 20 30.612 -7.834 0.099 173 HA ALA 20 HA ALA 20 32.369 -10.073 -0.517 174 HB1 ALA 20 HB1 ALA 20 33.682 -9.100 1.013 175 HB2 ALA 20 HB2 ALA 20 32.441 -9.311 2.247 176 HB3 ALA 20 HB3 ALA 20 32.451 -7.859 1.247 177 H PHE 21 HN PHE 21 29.787 -9.322 1.814 178 HA PHE 21 HA PHE 21 29.717 -12.041 2.798 179 HB2 PHE 21 HB2 PHE 21 28.005 -9.606 3.311 180 HB3 PHE 21 HB1 PHE 21 27.692 -11.175 4.052 181 HD1 PHE 21 HD1 PHE 21 30.515 -8.767 3.490 182 HD2 PHE 21 HD2 PHE 21 28.716 -11.669 6.097 183 HE1 PHE 21 HE1 PHE 21 32.239 -8.293 5.208 184 HE2 PHE 21 HE2 PHE 21 30.439 -11.194 7.814 185 HZ PHE 21 HZ PHE 21 32.200 -9.507 7.370 186 H GLY 22 HN GLY 22 27.873 -10.031 0.574 187 HA2 GLY 22 HA2 GLY 22 25.652 -11.749 0.231 188 HA3 GLY 22 HA1 GLY 22 26.184 -10.520 -0.910 189 H PHE 23 HN PHE 23 28.585 -11.310 -1.766 190 HA PHE 23 HA PHE 23 28.148 -13.155 -3.729 191 HB2 PHE 23 HB2 PHE 23 30.143 -12.062 -4.035 192 HB3 PHE 23 HB1 PHE 23 30.587 -12.175 -2.331 193 HD1 PHE 23 HD1 PHE 23 30.348 -14.067 -5.513 194 HD2 PHE 23 HD2 PHE 23 31.807 -14.042 -1.474 195 HE1 PHE 23 HE1 PHE 23 31.717 -16.078 -5.996 196 HE2 PHE 23 HE2 PHE 23 33.175 -16.050 -1.956 197 HZ PHE 23 HZ PHE 23 33.133 -17.071 -4.218 198 H TRP 24 HN TRP 24 29.209 -13.759 -0.415 199 HA TRP 24 HA TRP 24 29.477 -16.613 -0.853 200 HB2 TRP 24 HB2 TRP 24 31.005 -15.710 0.716 201 HB3 TRP 24 HB1 TRP 24 29.731 -14.836 1.565 202 HD1 TRP 24 HD1 TRP 24 30.376 -18.536 0.624 203 HE1 TRP 24 HE1 TRP 24 29.760 -19.997 2.659 204 HE3 TRP 24 HE3 TRP 24 28.850 -14.915 3.864 205 HZ2 TRP 24 HZ2 TRP 24 28.751 -19.665 5.312 206 HZ3 TRP 24 HZ3 TRP 24 28.065 -15.507 6.142 207 HH2 TRP 24 HH2 TRP 24 28.013 -17.877 6.867 208 H LEU 25 HN LEU 25 27.599 -14.782 1.543 209 HA LEU 25 HA LEU 25 25.876 -16.399 2.627 210 HB2 LEU 25 HB2 LEU 25 25.421 -13.745 1.399 211 HB3 LEU 25 HB1 LEU 25 23.984 -14.651 1.867 212 HG LEU 25 HG LEU 25 26.312 -14.393 3.748 213 HD11 LEU 25 HD11 LEU 25 25.163 -12.422 4.745 214 HD12 LEU 25 HD12 LEU 25 24.026 -12.433 3.396 215 HD13 LEU 25 HD13 LEU 25 25.733 -12.102 3.108 216 HD21 LEU 25 HD21 LEU 25 23.513 -14.351 4.694 217 HD22 LEU 25 HD22 LEU 25 24.885 -15.289 5.285 218 HD23 LEU 25 HD23 LEU 25 23.985 -15.837 3.872 219 H PHE 26 HN PHE 26 25.152 -15.251 -0.680 220 HA PHE 26 HA PHE 26 23.018 -17.108 -1.004 221 HB2 PHE 26 HB2 PHE 26 24.492 -15.787 -3.268 222 HB3 PHE 26 HB1 PHE 26 22.790 -16.247 -3.182 223 HD1 PHE 26 HD1 PHE 26 21.641 -15.233 -0.881 224 HD2 PHE 26 HD2 PHE 26 24.857 -13.486 -3.132 225 HE1 PHE 26 HE1 PHE 26 21.077 -13.007 0.043 226 HE2 PHE 26 HE2 PHE 26 24.294 -11.259 -2.204 227 HZ PHE 26 HZ PHE 26 22.407 -11.018 -0.617 228 H LYS 27 HN LYS 27 26.178 -16.955 -2.684 229 HA LYS 27 HA LYS 27 25.906 -19.525 -3.833 230 HB2 LYS 27 HB2 LYS 27 28.356 -17.825 -3.346 231 HB3 LYS 27 HB1 LYS 27 28.349 -19.302 -4.310 232 HG2 LYS 27 HG2 LYS 27 27.001 -18.373 -5.975 233 HG3 LYS 27 HG1 LYS 27 26.350 -17.138 -4.897 234 HD2 LYS 27 HD2 LYS 27 28.144 -15.742 -5.188 235 HD3 LYS 27 HD1 LYS 27 29.287 -17.075 -5.366 236 HE2 LYS 27 HE2 LYS 27 28.742 -15.658 -7.470 237 HE3 LYS 27 HE1 LYS 27 28.719 -17.414 -7.631 238 HZ1 LYS 27 HZ1 LYS 27 26.203 -16.447 -6.750 239 HZ2 LYS 27 HZ2 LYS 27 26.576 -17.367 -8.129 240 HZ3 LYS 27 HZ3 LYS 27 26.659 -15.672 -8.186 241 H TYR 28 HN TYR 28 25.470 -19.559 -0.931 242 HA TYR 28 HA TYR 28 27.188 -21.829 -0.338 243 HB2 TYR 28 HB2 TYR 28 28.605 -20.623 0.937 244 HB3 TYR 28 HB1 TYR 28 27.546 -19.216 0.933 245 HD1 TYR 28 HD2 TYR 28 27.637 -22.702 2.326 246 HD2 TYR 28 HD1 TYR 28 26.570 -18.589 2.949 247 HE1 TYR 28 HE2 TYR 28 26.903 -23.242 4.633 248 HE2 TYR 28 HE1 TYR 28 25.832 -19.129 5.256 249 HH TYR 28 HH TYR 28 26.016 -20.732 6.914 250 H LEU 29 HN LEU 29 24.785 -19.604 1.099 251 HA LEU 29 HA LEU 29 23.518 -21.827 2.493 252 HB2 LEU 29 HB2 LEU 29 23.673 -19.025 2.883 253 HB3 LEU 29 HB1 LEU 29 21.975 -19.411 2.605 254 HG LEU 29 HG LEU 29 23.774 -20.822 4.595 255 HD11 LEU 29 HD11 LEU 29 21.656 -18.681 4.906 256 HD12 LEU 29 HD12 LEU 29 23.342 -18.611 5.419 257 HD13 LEU 29 HD13 LEU 29 22.211 -19.681 6.249 258 HD21 LEU 29 HD21 LEU 29 22.169 -22.404 4.591 259 HD22 LEU 29 HD22 LEU 29 21.242 -21.497 3.398 260 HD23 LEU 29 HD23 LEU 29 21.007 -21.185 5.118 261 H GLN 30 HN GLN 30 22.886 -19.678 -0.222 262 HA GLN 30 HA GLN 30 20.257 -20.836 -0.700 263 HB2 GLN 30 HB2 GLN 30 20.461 -18.488 -1.143 264 HB3 GLN 30 HB1 GLN 30 21.890 -18.743 -2.134 265 HG2 GLN 30 HG2 GLN 30 20.690 -19.623 -3.910 266 HG3 GLN 30 HG1 GLN 30 19.326 -20.090 -2.890 267 HE21 GLN 30 HE21 GLN 30 20.566 -16.930 -2.226 268 HE22 GLN 30 HE22 GLN 30 19.365 -16.053 -3.040 269 H LYS 31 HN LYS 31 23.393 -21.726 -1.304 270 HA LYS 31 HA LYS 31 22.633 -23.274 -3.711 271 HB2 LYS 31 HB2 LYS 31 25.089 -21.740 -3.038 272 HB3 LYS 31 HB1 LYS 31 25.319 -23.288 -3.855 273 HG2 LYS 31 HG2 LYS 31 25.098 -21.432 -5.478 274 HG3 LYS 31 HG1 LYS 31 23.782 -22.594 -5.641 275 HD2 LYS 31 HD2 LYS 31 22.207 -21.130 -4.856 276 HD3 LYS 31 HD1 LYS 31 23.332 -20.350 -3.744 277 HE2 LYS 31 HE2 LYS 31 24.387 -19.151 -5.584 278 HE3 LYS 31 HE1 LYS 31 23.381 -20.003 -6.756 279 HZ1 LYS 31 HZ1 LYS 31 22.480 -17.826 -6.294 280 HZ2 LYS 31 HZ2 LYS 31 22.419 -18.165 -4.631 281 HZ3 LYS 31 HZ3 LYS 31 21.423 -19.017 -5.711 282 H LYS 32 HN LYS 32 21.817 -24.843 -2.099 283 HA LYS 32 HA LYS 32 23.918 -26.747 -1.440 284 HB2 LYS 32 HB2 LYS 32 22.682 -26.956 0.900 285 HB3 LYS 32 HB1 LYS 32 24.013 -25.822 0.664 286 HG2 LYS 32 HG2 LYS 32 22.485 -23.990 0.305 287 HG3 LYS 32 HG1 LYS 32 21.101 -25.082 0.271 288 HD2 LYS 32 HD2 LYS 32 22.617 -25.470 2.707 289 HD3 LYS 32 HD1 LYS 32 22.173 -23.773 2.528 290 HE2 LYS 32 HE2 LYS 32 20.429 -25.132 3.713 291 HE3 LYS 32 HE1 LYS 32 19.832 -24.359 2.246 292 HZ1 LYS 32 HZ1 LYS 32 19.345 -26.844 2.653 293 HZ2 LYS 32 HZ2 LYS 32 20.943 -27.080 2.127 294 HZ3 LYS 32 HZ3 LYS 32 19.809 -26.337 1.102 Start of MODEL 13 1 H1 LYS 1 HT1 LYS 1 23.308 17.797 -3.830 2 H2 LYS 1 HT2 LYS 1 21.914 18.764 -3.918 3 H3 LYS 1 HT3 LYS 1 21.913 17.204 -4.591 4 HA LYS 1 HA LYS 1 22.316 17.726 -1.702 5 HB2 LYS 1 HB2 LYS 1 20.020 18.364 -2.912 6 HB3 LYS 1 HB1 LYS 1 19.758 16.623 -2.779 7 HG2 LYS 1 HG2 LYS 1 20.349 16.805 -0.331 8 HG3 LYS 1 HG1 LYS 1 20.347 18.559 -0.525 9 HD2 LYS 1 HD2 LYS 1 18.011 18.514 -1.244 10 HD3 LYS 1 HD1 LYS 1 17.998 16.751 -1.163 11 HE2 LYS 1 HE2 LYS 1 18.964 17.742 1.337 12 HE3 LYS 1 HE1 LYS 1 17.481 18.611 0.941 13 HZ1 LYS 1 HZ1 LYS 1 17.875 15.686 1.163 14 HZ2 LYS 1 HZ2 LYS 1 16.512 16.366 0.413 15 HZ3 LYS 1 HZ3 LYS 1 16.821 16.669 2.056 16 H LYS 2 HN LYS 2 23.315 15.993 -0.900 17 HA LYS 2 HA LYS 2 23.230 13.451 -2.340 18 HB2 LYS 2 HB2 LYS 2 25.402 14.306 -1.547 19 HB3 LYS 2 HB1 LYS 2 24.806 14.272 0.113 20 HG2 LYS 2 HG2 LYS 2 24.735 11.928 0.176 21 HG3 LYS 2 HG1 LYS 2 24.698 11.786 -1.582 22 HD2 LYS 2 HD2 LYS 2 26.911 11.154 -0.680 23 HD3 LYS 2 HD1 LYS 2 27.025 12.587 -1.704 24 HE2 LYS 2 HE2 LYS 2 27.162 14.043 0.189 25 HE3 LYS 2 HE1 LYS 2 26.704 12.752 1.300 26 HZ1 LYS 2 HZ1 LYS 2 29.247 13.478 0.662 27 HZ2 LYS 2 HZ2 LYS 2 28.994 12.088 -0.281 28 HZ3 LYS 2 HZ3 LYS 2 28.788 12.024 1.404 29 H HIS 3 HN HIS 3 23.027 11.439 -0.990 30 HA HIS 3 HA HIS 3 20.509 11.320 0.246 31 HB2 HIS 3 HB2 HIS 3 21.748 9.393 -0.780 32 HB3 HIS 3 HB1 HIS 3 22.804 9.385 0.631 33 HD2 HIS 3 HD2 HIS 3 21.573 6.781 1.221 34 HE1 HIS 3 HE1 HIS 3 17.969 8.505 2.581 35 HE2 HIS 3 HE2 HIS 3 19.330 6.365 2.493 36 H THR 4 HN THR 4 22.148 9.564 2.402 37 HA THR 4 HA THR 4 22.185 11.732 4.417 38 HB THR 4 HB THR 4 20.443 10.191 4.977 39 HG1 THR 4 HG1 THR 4 21.688 9.016 6.794 40 HG21 THR 4 HG21 THR 4 21.747 7.714 5.349 41 HG22 THR 4 HG22 THR 4 22.230 8.284 3.751 42 HG23 THR 4 HG23 THR 4 20.522 8.106 4.146 43 H ILE 5 HN ILE 5 23.270 8.777 5.558 44 HA ILE 5 HA ILE 5 26.081 9.656 5.344 45 HB ILE 5 HB ILE 5 26.316 8.018 7.339 46 HG12 ILE 5 HG12 ILE 5 23.524 8.696 8.033 47 HG13 ILE 5 HG11 ILE 5 23.699 7.474 6.773 48 HG21 ILE 5 HG21 ILE 5 26.605 10.388 7.634 49 HG22 ILE 5 HG22 ILE 5 25.509 9.839 8.902 50 HG23 ILE 5 HG23 ILE 5 24.870 10.674 7.486 51 HD11 ILE 5 HD11 ILE 5 25.095 7.391 9.458 52 HD12 ILE 5 HD12 ILE 5 25.159 6.149 8.208 53 HD13 ILE 5 HD13 ILE 5 23.644 6.475 9.049 54 H TRP 6 HN TRP 6 23.817 7.113 4.690 55 HA TRP 6 HA TRP 6 25.291 4.840 4.425 56 HB2 TRP 6 HB2 TRP 6 22.918 5.922 3.184 57 HB3 TRP 6 HB1 TRP 6 23.849 4.987 2.016 58 HD1 TRP 6 HD1 TRP 6 22.616 2.747 1.951 59 HE1 TRP 6 HE1 TRP 6 21.979 0.960 3.690 60 HE3 TRP 6 HE3 TRP 6 23.871 5.212 6.234 61 HZ2 TRP 6 HZ2 TRP 6 22.001 0.623 6.525 62 HZ3 TRP 6 HZ3 TRP 6 23.554 4.137 8.445 63 HH2 TRP 6 HH2 TRP 6 22.621 1.845 8.596 64 H GLU 7 HN GLU 7 24.861 7.067 1.668 65 HA GLU 7 HA GLU 7 26.796 6.030 0.006 66 HB2 GLU 7 HB2 GLU 7 25.465 8.634 0.322 67 HB3 GLU 7 HB1 GLU 7 27.013 8.696 -0.521 68 HG2 GLU 7 HG2 GLU 7 26.247 6.944 -2.075 69 HG3 GLU 7 HG1 GLU 7 24.705 6.858 -1.223 70 H VAL 8 HN VAL 8 27.310 7.463 3.032 71 HA VAL 8 HA VAL 8 30.084 8.190 2.382 72 HB VAL 8 HB VAL 8 28.786 8.636 5.056 73 HG11 VAL 8 HG11 VAL 8 30.579 9.998 5.441 74 HG12 VAL 8 HG12 VAL 8 30.648 10.550 3.768 75 HG13 VAL 8 HG13 VAL 8 31.335 8.987 4.210 76 HG21 VAL 8 HG21 VAL 8 28.099 10.865 4.226 77 HG22 VAL 8 HG22 VAL 8 27.272 9.584 3.340 78 HG23 VAL 8 HG23 VAL 8 28.637 10.425 2.606 79 H ILE 9 HN ILE 9 28.176 6.055 4.467 80 HA ILE 9 HA ILE 9 30.664 4.660 5.217 81 HB ILE 9 HB ILE 9 29.795 5.316 7.239 82 HG12 ILE 9 HG12 ILE 9 29.630 2.644 6.806 83 HG13 ILE 9 HG11 ILE 9 29.267 3.400 8.344 84 HG21 ILE 9 HG21 ILE 9 27.892 6.502 6.535 85 HG22 ILE 9 HG22 ILE 9 27.299 5.332 7.705 86 HG23 ILE 9 HG23 ILE 9 27.076 5.044 5.977 87 HD11 ILE 9 HD11 ILE 9 26.926 3.320 7.982 88 HD12 ILE 9 HD12 ILE 9 27.520 1.750 7.446 89 HD13 ILE 9 HD13 ILE 9 27.116 2.985 6.263 90 H ALA 10 HN ALA 10 27.277 4.195 4.267 91 HA ALA 10 HA ALA 10 27.520 1.366 3.924 92 HB1 ALA 10 HB1 ALA 10 25.529 3.277 2.679 93 HB2 ALA 10 HB2 ALA 10 25.348 2.506 4.255 94 HB3 ALA 10 HB3 ALA 10 25.364 1.525 2.791 95 H GLY 11 HN GLY 11 26.989 3.873 1.425 96 HA2 GLY 11 HA2 GLY 11 27.691 2.341 -0.780 97 HA3 GLY 11 HA1 GLY 11 27.895 4.091 -0.691 98 H LEU 12 HN LEU 12 29.588 3.360 1.819 99 HA LEU 12 HA LEU 12 32.099 3.076 0.328 100 HB2 LEU 12 HB2 LEU 12 31.678 5.057 1.887 101 HB3 LEU 12 HB1 LEU 12 31.805 3.903 3.216 102 HG LEU 12 HG LEU 12 34.019 3.227 1.815 103 HD11 LEU 12 HD11 LEU 12 33.616 5.007 0.139 104 HD12 LEU 12 HD12 LEU 12 35.113 5.285 1.031 105 HD13 LEU 12 HD13 LEU 12 33.667 6.216 1.423 106 HD21 LEU 12 HD21 LEU 12 33.764 5.493 3.820 107 HD22 LEU 12 HD22 LEU 12 35.263 4.649 3.433 108 HD23 LEU 12 HD23 LEU 12 33.937 3.781 4.207 109 H VAL 13 HN VAL 13 30.069 1.558 2.716 110 HA VAL 13 HA VAL 13 32.112 -0.551 3.116 111 HB VAL 13 HB VAL 13 29.816 0.255 4.919 112 HG11 VAL 13 HG11 VAL 13 30.078 -2.092 5.167 113 HG12 VAL 13 HG12 VAL 13 31.039 -1.396 6.472 114 HG13 VAL 13 HG13 VAL 13 31.832 -1.992 5.014 115 HG21 VAL 13 HG21 VAL 13 31.428 1.222 6.324 116 HG22 VAL 13 HG22 VAL 13 32.032 1.654 4.725 117 HG23 VAL 13 HG23 VAL 13 32.749 0.303 5.602 118 H ALA 14 HN ALA 14 28.566 -0.104 3.016 119 HA ALA 14 HA ALA 14 27.728 -2.688 2.742 120 HB1 ALA 14 HB1 ALA 14 26.093 -0.942 2.773 121 HB2 ALA 14 HB2 ALA 14 25.916 -1.766 1.224 122 HB3 ALA 14 HB3 ALA 14 26.749 -0.213 1.308 123 H LEU 15 HN LEU 15 28.899 -0.589 0.107 124 HA LEU 15 HA LEU 15 28.672 -2.543 -1.926 125 HB2 LEU 15 HB2 LEU 15 28.942 -0.112 -2.369 126 HB3 LEU 15 HB1 LEU 15 30.594 -0.204 -1.764 127 HG LEU 15 HG LEU 15 31.139 -1.859 -3.531 128 HD11 LEU 15 HD11 LEU 15 28.211 -1.557 -4.054 129 HD12 LEU 15 HD12 LEU 15 29.226 -2.995 -4.159 130 HD13 LEU 15 HD13 LEU 15 29.275 -1.787 -5.444 131 HD21 LEU 15 HD21 LEU 15 30.631 0.911 -3.836 132 HD22 LEU 15 HD22 LEU 15 30.050 0.133 -5.308 133 HD23 LEU 15 HD23 LEU 15 31.722 -0.090 -4.794 134 H LEU 16 HN LEU 16 31.092 -1.848 0.486 135 HA LEU 16 HA LEU 16 32.960 -3.786 -0.668 136 HB2 LEU 16 HB2 LEU 16 33.344 -2.195 1.863 137 HB3 LEU 16 HB1 LEU 16 34.577 -2.928 0.835 138 HG LEU 16 HG LEU 16 32.783 -0.591 0.128 139 HD11 LEU 16 HD11 LEU 16 34.746 0.725 0.193 140 HD12 LEU 16 HD12 LEU 16 35.799 -0.689 0.154 141 HD13 LEU 16 HD13 LEU 16 34.884 -0.310 1.614 142 HD21 LEU 16 HD21 LEU 16 34.325 -0.628 -1.963 143 HD22 LEU 16 HD22 LEU 16 32.994 -1.784 -1.895 144 HD23 LEU 16 HD23 LEU 16 34.637 -2.306 -1.519 145 H THR 17 HN THR 17 30.272 -4.012 1.105 146 HA THR 17 HA THR 17 31.307 -6.274 2.703 147 HB THR 17 HB THR 17 29.431 -4.079 3.468 148 HG1 THR 17 HG1 THR 17 30.878 -5.310 5.381 149 HG21 THR 17 HG21 THR 17 27.968 -5.891 3.865 150 HG22 THR 17 HG22 THR 17 28.778 -5.653 5.413 151 HG23 THR 17 HG23 THR 17 29.287 -6.959 4.345 152 H PHE 18 HN PHE 18 28.220 -4.917 1.534 153 HA PHE 18 HA PHE 18 26.610 -7.088 1.504 154 HB2 PHE 18 HB2 PHE 18 26.281 -4.672 0.510 155 HB3 PHE 18 HB1 PHE 18 26.708 -5.460 -1.008 156 HD1 PHE 18 HD1 PHE 18 24.450 -5.830 1.956 157 HD2 PHE 18 HD2 PHE 18 25.075 -6.639 -2.216 158 HE1 PHE 18 HE1 PHE 18 22.154 -6.753 1.791 159 HE2 PHE 18 HE2 PHE 18 22.780 -7.561 -2.381 160 HZ PHE 18 HZ PHE 18 21.319 -7.618 -0.378 161 H LEU 19 HN LEU 19 28.958 -6.308 -1.067 162 HA LEU 19 HA LEU 19 28.464 -8.715 -2.539 163 HB2 LEU 19 HB2 LEU 19 30.571 -6.570 -2.623 164 HB3 LEU 19 HB1 LEU 19 30.756 -8.033 -3.586 165 HG LEU 19 HG LEU 19 29.629 -6.121 -4.796 166 HD11 LEU 19 HD11 LEU 19 28.995 -8.852 -4.812 167 HD12 LEU 19 HD12 LEU 19 28.584 -7.673 -6.056 168 HD13 LEU 19 HD13 LEU 19 27.434 -8.033 -4.768 169 HD21 LEU 19 HD21 LEU 19 27.433 -5.432 -4.168 170 HD22 LEU 19 HD22 LEU 19 28.379 -5.411 -2.680 171 HD23 LEU 19 HD23 LEU 19 27.276 -6.747 -3.005 172 H ALA 20 HN ALA 20 31.144 -7.656 -0.431 173 HA ALA 20 HA ALA 20 32.776 -9.852 -0.530 174 HB1 ALA 20 HB1 ALA 20 32.489 -9.057 2.225 175 HB2 ALA 20 HB2 ALA 20 32.464 -7.635 1.182 176 HB3 ALA 20 HB3 ALA 20 33.826 -8.755 1.117 177 H PHE 21 HN PHE 21 30.049 -9.436 1.744 178 HA PHE 21 HA PHE 21 30.211 -12.196 2.587 179 HB2 PHE 21 HB2 PHE 21 28.272 -9.963 3.209 180 HB3 PHE 21 HB1 PHE 21 28.131 -11.588 3.882 181 HD1 PHE 21 HD2 PHE 21 30.551 -8.756 3.514 182 HD2 PHE 21 HD1 PHE 21 29.340 -12.180 5.808 183 HE1 PHE 21 HE2 PHE 21 32.227 -8.185 5.250 184 HE2 PHE 21 HE1 PHE 21 31.015 -11.609 7.544 185 HZ PHE 21 HZ PHE 21 32.460 -9.612 7.264 186 H GLY 22 HN GLY 22 28.149 -10.238 0.493 187 HA2 GLY 22 HA2 GLY 22 26.054 -12.022 0.052 188 HA3 GLY 22 HA1 GLY 22 26.620 -10.838 -1.121 189 H PHE 23 HN PHE 23 29.147 -11.727 -1.688 190 HA PHE 23 HA PHE 23 28.748 -13.658 -3.633 191 HB2 PHE 23 HB2 PHE 23 31.029 -12.306 -2.448 192 HB3 PHE 23 HB1 PHE 23 31.417 -13.972 -2.873 193 HD1 PHE 23 HD1 PHE 23 30.331 -14.741 -5.224 194 HD2 PHE 23 HD2 PHE 23 31.319 -10.707 -4.127 195 HE1 PHE 23 HE1 PHE 23 30.442 -14.116 -7.621 196 HE2 PHE 23 HE2 PHE 23 31.431 -10.083 -6.524 197 HZ PHE 23 HZ PHE 23 30.992 -11.788 -8.271 198 H TRP 24 HN TRP 24 28.985 -14.027 -0.256 199 HA TRP 24 HA TRP 24 29.519 -16.913 -0.497 200 HB2 TRP 24 HB2 TRP 24 31.021 -15.889 1.058 201 HB3 TRP 24 HB1 TRP 24 29.702 -15.023 1.849 202 HD1 TRP 24 HD1 TRP 24 30.392 -18.727 0.976 203 HE1 TRP 24 HE1 TRP 24 29.749 -20.168 3.019 204 HE3 TRP 24 HE3 TRP 24 28.822 -15.073 4.155 205 HZ2 TRP 24 HZ2 TRP 24 28.704 -19.808 5.653 206 HZ3 TRP 24 HZ3 TRP 24 28.005 -15.641 6.430 207 HH2 TRP 24 HH2 TRP 24 27.944 -18.004 7.180 208 H LEU 25 HN LEU 25 27.716 -14.986 1.861 209 HA LEU 25 HA LEU 25 25.887 -16.506 2.902 210 HB2 LEU 25 HB2 LEU 25 25.618 -13.804 1.734 211 HB3 LEU 25 HB1 LEU 25 24.111 -14.626 2.139 212 HG LEU 25 HG LEU 25 26.400 -14.570 4.096 213 HD11 LEU 25 HD11 LEU 25 24.218 -12.478 3.823 214 HD12 LEU 25 HD12 LEU 25 25.920 -12.224 3.436 215 HD13 LEU 25 HD13 LEU 25 25.433 -12.548 5.100 216 HD21 LEU 25 HD21 LEU 25 23.992 -15.871 4.107 217 HD22 LEU 25 HD22 LEU 25 23.573 -14.380 4.948 218 HD23 LEU 25 HD23 LEU 25 24.867 -15.406 5.564 219 H PHE 26 HN PHE 26 25.241 -15.269 -0.393 220 HA PHE 26 HA PHE 26 23.049 -17.090 -0.759 221 HB2 PHE 26 HB2 PHE 26 24.485 -15.662 -2.984 222 HB3 PHE 26 HB1 PHE 26 22.778 -16.087 -2.867 223 HD1 PHE 26 HD1 PHE 26 21.750 -15.168 -0.457 224 HD2 PHE 26 HD2 PHE 26 24.881 -13.370 -2.786 225 HE1 PHE 26 HE1 PHE 26 21.261 -12.972 0.581 226 HE2 PHE 26 HE2 PHE 26 24.392 -11.174 -1.746 227 HZ PHE 26 HZ PHE 26 22.586 -10.977 -0.060 228 H LYS 27 HN LYS 27 26.098 -16.777 -2.585 229 HA LYS 27 HA LYS 27 25.994 -19.124 -3.997 230 HB2 LYS 27 HB2 LYS 27 28.563 -18.103 -2.784 231 HB3 LYS 27 HB1 LYS 27 28.341 -18.941 -4.320 232 HG2 LYS 27 HG2 LYS 27 27.412 -16.142 -3.620 233 HG3 LYS 27 HG1 LYS 27 28.635 -16.592 -4.806 234 HD2 LYS 27 HD2 LYS 27 26.718 -17.976 -5.904 235 HD3 LYS 27 HD1 LYS 27 25.650 -16.949 -4.946 236 HE2 LYS 27 HE2 LYS 27 27.296 -15.063 -5.982 237 HE3 LYS 27 HE1 LYS 27 27.350 -16.255 -7.280 238 HZ1 LYS 27 HZ1 LYS 27 25.271 -15.791 -7.866 239 HZ2 LYS 27 HZ2 LYS 27 25.385 -14.415 -6.878 240 HZ3 LYS 27 HZ3 LYS 27 24.705 -15.848 -6.269 241 H TYR 28 HN TYR 28 26.108 -18.886 -0.628 242 HA TYR 28 HA TYR 28 27.107 -21.668 -0.386 243 HB2 TYR 28 HB2 TYR 28 28.536 -20.767 1.101 244 HB3 TYR 28 HB1 TYR 28 27.629 -19.260 1.194 245 HD1 TYR 28 HD2 TYR 28 27.508 -22.832 2.279 246 HD2 TYR 28 HD1 TYR 28 26.294 -18.792 3.070 247 HE1 TYR 28 HE2 TYR 28 26.551 -23.544 4.456 248 HE2 TYR 28 HE1 TYR 28 25.339 -19.498 5.243 249 HH TYR 28 HH TYR 28 25.984 -21.755 6.888 250 H LEU 29 HN LEU 29 24.828 -19.337 1.058 251 HA LEU 29 HA LEU 29 23.295 -21.476 2.268 252 HB2 LEU 29 HB2 LEU 29 23.703 -19.056 3.171 253 HB3 LEU 29 HB1 LEU 29 22.368 -18.625 2.103 254 HG LEU 29 HG LEU 29 21.341 -20.835 3.314 255 HD11 LEU 29 HD11 LEU 29 23.331 -21.019 4.790 256 HD12 LEU 29 HD12 LEU 29 21.858 -20.704 5.706 257 HD13 LEU 29 HD13 LEU 29 23.002 -19.397 5.404 258 HD21 LEU 29 HD21 LEU 29 20.131 -18.764 3.116 259 HD22 LEU 29 HD22 LEU 29 21.266 -17.933 4.181 260 HD23 LEU 29 HD23 LEU 29 20.181 -19.163 4.834 261 H GLN 30 HN GLN 30 22.826 -19.075 -0.310 262 HA GLN 30 HA GLN 30 20.203 -19.981 -1.004 263 HB2 GLN 30 HB2 GLN 30 20.919 -17.712 -1.517 264 HB3 GLN 30 HB1 GLN 30 22.208 -18.326 -2.549 265 HG2 GLN 30 HG2 GLN 30 20.796 -18.849 -4.255 266 HG3 GLN 30 HG1 GLN 30 19.492 -19.324 -3.170 267 HE21 GLN 30 HE21 GLN 30 20.983 -16.195 -2.632 268 HE22 GLN 30 HE22 GLN 30 19.702 -15.268 -3.250 269 H LYS 31 HN LYS 31 23.334 -21.177 -1.603 270 HA LYS 31 HA LYS 31 22.381 -22.778 -3.901 271 HB2 LYS 31 HB2 LYS 31 25.039 -21.677 -3.127 272 HB3 LYS 31 HB1 LYS 31 25.005 -23.232 -3.960 273 HG2 LYS 31 HG2 LYS 31 25.175 -21.317 -5.544 274 HG3 LYS 31 HG1 LYS 31 23.705 -22.261 -5.788 275 HD2 LYS 31 HD2 LYS 31 22.335 -20.623 -4.825 276 HD3 LYS 31 HD1 LYS 31 23.675 -19.884 -3.947 277 HE2 LYS 31 HE2 LYS 31 24.506 -18.808 -5.860 278 HE3 LYS 31 HE1 LYS 31 23.664 -19.903 -6.956 279 HZ1 LYS 31 HZ1 LYS 31 22.200 -18.099 -5.128 280 HZ2 LYS 31 HZ2 LYS 31 21.623 -18.894 -6.515 281 HZ3 LYS 31 HZ3 LYS 31 22.703 -17.591 -6.666 282 H LYS 32 HN LYS 32 24.205 -22.954 -0.855 283 HA LYS 32 HA LYS 32 24.778 -24.763 0.464 284 HB2 LYS 32 HB2 LYS 32 21.935 -24.677 0.039 285 HB3 LYS 32 HB1 LYS 32 22.455 -26.354 0.216 286 HG2 LYS 32 HG2 LYS 32 23.576 -25.837 2.312 287 HG3 LYS 32 HG1 LYS 32 23.227 -24.120 2.115 288 HD2 LYS 32 HD2 LYS 32 20.778 -25.604 1.867 289 HD3 LYS 32 HD1 LYS 32 21.595 -26.082 3.355 290 HE2 LYS 32 HE2 LYS 32 21.838 -23.691 3.973 291 HE3 LYS 32 HE1 LYS 32 20.961 -23.240 2.511 292 HZ1 LYS 32 HZ1 LYS 32 19.019 -23.782 3.426 293 HZ2 LYS 32 HZ2 LYS 32 19.836 -23.757 4.915 294 HZ3 LYS 32 HZ3 LYS 32 19.613 -25.224 4.090 Start of MODEL 14 1 H1 LYS 1 HT1 LYS 1 17.909 17.167 -2.436 2 H2 LYS 1 HT2 LYS 1 19.173 17.041 -3.563 3 H3 LYS 1 HT3 LYS 1 19.096 18.376 -2.515 4 HA LYS 1 HA LYS 1 20.579 17.227 -1.311 5 HB2 LYS 1 HB2 LYS 1 19.448 15.696 0.313 6 HB3 LYS 1 HB1 LYS 1 18.603 17.231 0.111 7 HG2 LYS 1 HG2 LYS 1 17.620 15.439 -1.879 8 HG3 LYS 1 HG1 LYS 1 17.597 14.589 -0.335 9 HD2 LYS 1 HD2 LYS 1 16.353 16.427 0.696 10 HD3 LYS 1 HD1 LYS 1 16.430 17.348 -0.806 11 HE2 LYS 1 HE2 LYS 1 14.658 16.247 -1.654 12 HE3 LYS 1 HE1 LYS 1 15.387 14.684 -1.287 13 HZ1 LYS 1 HZ1 LYS 1 14.508 16.004 1.074 14 HZ2 LYS 1 HZ2 LYS 1 14.106 14.460 0.491 15 HZ3 LYS 1 HZ3 LYS 1 13.232 15.821 -0.028 16 H LYS 2 HN LYS 2 21.810 15.297 -0.977 17 HA LYS 2 HA LYS 2 21.760 13.530 -3.286 18 HB2 LYS 2 HB2 LYS 2 23.892 14.478 -2.409 19 HB3 LYS 2 HB1 LYS 2 23.654 13.555 -0.925 20 HG2 LYS 2 HG2 LYS 2 23.301 11.770 -3.127 21 HG3 LYS 2 HG1 LYS 2 24.798 12.667 -3.390 22 HD2 LYS 2 HD2 LYS 2 24.074 11.235 -0.817 23 HD3 LYS 2 HD1 LYS 2 25.163 10.599 -2.051 24 HE2 LYS 2 HE2 LYS 2 26.009 13.252 -1.464 25 HE3 LYS 2 HE1 LYS 2 25.761 12.429 0.077 26 HZ1 LYS 2 HZ1 LYS 2 26.999 10.588 -1.537 27 HZ2 LYS 2 HZ2 LYS 2 27.711 11.464 -0.268 28 HZ3 LYS 2 HZ3 LYS 2 27.807 12.044 -1.862 29 H HIS 3 HN HIS 3 22.266 12.804 0.167 30 HA HIS 3 HA HIS 3 20.056 10.961 0.258 31 HB2 HIS 3 HB2 HIS 3 21.888 9.713 -0.997 32 HB3 HIS 3 HB1 HIS 3 22.813 9.758 0.504 33 HD2 HIS 3 HD2 HIS 3 22.351 6.841 0.551 34 HE1 HIS 3 HE1 HIS 3 18.338 7.258 1.790 35 HE2 HIS 3 HE2 HIS 3 20.254 5.616 1.510 36 H THR 4 HN THR 4 22.142 9.497 2.185 37 HA THR 4 HA THR 4 21.823 11.398 4.430 38 HB THR 4 HB THR 4 20.156 9.715 4.774 39 HG1 THR 4 HG1 THR 4 20.790 9.478 6.744 40 HG21 THR 4 HG21 THR 4 20.393 7.722 3.763 41 HG22 THR 4 HG22 THR 4 21.604 7.296 4.970 42 HG23 THR 4 HG23 THR 4 22.098 8.040 3.450 43 H ILE 5 HN ILE 5 23.041 8.444 5.393 44 HA ILE 5 HA ILE 5 25.819 9.446 5.240 45 HB ILE 5 HB ILE 5 26.106 7.856 7.253 46 HG12 ILE 5 HG12 ILE 5 23.288 8.370 7.949 47 HG13 ILE 5 HG11 ILE 5 23.507 7.193 6.654 48 HG21 ILE 5 HG21 ILE 5 26.317 10.131 7.739 49 HG22 ILE 5 HG22 ILE 5 24.942 9.677 8.745 50 HG23 ILE 5 HG23 ILE 5 24.677 10.498 7.206 51 HD11 ILE 5 HD11 ILE 5 25.096 7.051 9.214 52 HD12 ILE 5 HD12 ILE 5 24.858 5.789 8.006 53 HD13 ILE 5 HD13 ILE 5 23.521 6.274 9.051 54 H TRP 6 HN TRP 6 23.651 6.872 4.490 55 HA TRP 6 HA TRP 6 25.201 4.627 4.318 56 HB2 TRP 6 HB2 TRP 6 22.818 5.607 3.026 57 HB3 TRP 6 HB1 TRP 6 23.807 4.717 1.870 58 HD1 TRP 6 HD1 TRP 6 22.697 2.415 1.777 59 HE1 TRP 6 HE1 TRP 6 22.100 0.600 3.502 60 HE3 TRP 6 HE3 TRP 6 23.717 4.940 6.086 61 HZ2 TRP 6 HZ2 TRP 6 22.060 0.267 6.337 62 HZ3 TRP 6 HZ3 TRP 6 23.392 3.853 8.290 63 HH2 TRP 6 HH2 TRP 6 22.564 1.519 8.422 64 H GLU 7 HN GLU 7 24.903 7.059 1.718 65 HA GLU 7 HA GLU 7 26.861 5.972 0.036 66 HB2 GLU 7 HB2 GLU 7 25.300 8.390 0.203 67 HB3 GLU 7 HB1 GLU 7 26.947 8.751 -0.316 68 HG2 GLU 7 HG2 GLU 7 25.228 6.578 -1.541 69 HG3 GLU 7 HG1 GLU 7 25.384 8.201 -2.211 70 H VAL 8 HN VAL 8 27.274 7.225 3.092 71 HA VAL 8 HA VAL 8 30.030 8.122 2.549 72 HB VAL 8 HB VAL 8 28.562 8.469 5.157 73 HG11 VAL 8 HG11 VAL 8 31.121 8.781 4.788 74 HG12 VAL 8 HG12 VAL 8 30.231 10.054 5.625 75 HG13 VAL 8 HG13 VAL 8 30.655 10.246 3.922 76 HG21 VAL 8 HG21 VAL 8 27.193 9.470 3.349 77 HG22 VAL 8 HG22 VAL 8 28.609 10.345 2.767 78 HG23 VAL 8 HG23 VAL 8 27.930 10.719 4.350 79 H ILE 9 HN ILE 9 28.098 5.901 4.506 80 HA ILE 9 HA ILE 9 30.581 4.554 5.346 81 HB ILE 9 HB ILE 9 29.595 5.140 7.336 82 HG12 ILE 9 HG12 ILE 9 29.511 2.472 6.831 83 HG13 ILE 9 HG11 ILE 9 29.067 3.184 8.368 84 HG21 ILE 9 HG21 ILE 9 26.948 4.833 5.931 85 HG22 ILE 9 HG22 ILE 9 27.700 6.299 6.556 86 HG23 ILE 9 HG23 ILE 9 27.079 5.092 7.673 87 HD11 ILE 9 HD11 ILE 9 26.745 3.068 7.901 88 HD12 ILE 9 HD12 ILE 9 27.395 1.521 7.362 89 HD13 ILE 9 HD13 ILE 9 27.015 2.772 6.188 90 H ALA 10 HN ALA 10 27.248 4.016 4.239 91 HA ALA 10 HA ALA 10 27.605 1.206 3.833 92 HB1 ALA 10 HB1 ALA 10 25.383 2.309 4.127 93 HB2 ALA 10 HB2 ALA 10 25.471 1.290 2.692 94 HB3 ALA 10 HB3 ALA 10 25.580 3.042 2.534 95 H GLY 11 HN GLY 11 27.039 3.748 1.383 96 HA2 GLY 11 HA2 GLY 11 27.841 2.313 -0.842 97 HA3 GLY 11 HA1 GLY 11 27.995 4.063 -0.696 98 H LEU 12 HN LEU 12 29.668 3.340 1.818 99 HA LEU 12 HA LEU 12 32.202 3.131 0.356 100 HB2 LEU 12 HB2 LEU 12 31.707 5.088 1.927 101 HB3 LEU 12 HB1 LEU 12 31.878 3.927 3.244 102 HG LEU 12 HG LEU 12 34.112 3.320 1.898 103 HD11 LEU 12 HD11 LEU 12 35.122 5.259 0.882 104 HD12 LEU 12 HD12 LEU 12 33.780 6.287 1.383 105 HD13 LEU 12 HD13 LEU 12 33.531 5.056 0.148 106 HD21 LEU 12 HD21 LEU 12 35.288 4.960 3.401 107 HD22 LEU 12 HD22 LEU 12 34.076 3.988 4.234 108 HD23 LEU 12 HD23 LEU 12 33.717 5.657 3.794 109 H VAL 13 HN VAL 13 30.187 1.546 2.714 110 HA VAL 13 HA VAL 13 32.277 -0.521 3.094 111 HB VAL 13 HB VAL 13 29.982 0.168 4.947 112 HG11 VAL 13 HG11 VAL 13 30.456 -2.138 5.208 113 HG12 VAL 13 HG12 VAL 13 31.395 -1.351 6.477 114 HG13 VAL 13 HG13 VAL 13 32.190 -1.890 4.999 115 HG21 VAL 13 HG21 VAL 13 32.885 0.466 5.644 116 HG22 VAL 13 HG22 VAL 13 31.492 1.347 6.270 117 HG23 VAL 13 HG23 VAL 13 32.127 1.724 4.668 118 H ALA 14 HN ALA 14 28.724 -0.128 3.073 119 HA ALA 14 HA ALA 14 27.923 -2.723 2.811 120 HB1 ALA 14 HB1 ALA 14 26.856 -0.327 1.295 121 HB2 ALA 14 HB2 ALA 14 26.320 -0.892 2.877 122 HB3 ALA 14 HB3 ALA 14 26.023 -1.876 1.443 123 H LEU 15 HN LEU 15 29.191 -0.632 0.235 124 HA LEU 15 HA LEU 15 28.878 -2.559 -1.838 125 HB2 LEU 15 HB2 LEU 15 29.166 -0.112 -2.243 126 HB3 LEU 15 HB1 LEU 15 30.833 -0.247 -1.688 127 HG LEU 15 HG LEU 15 31.281 -1.902 -3.488 128 HD11 LEU 15 HD11 LEU 15 28.354 -1.494 -3.933 129 HD12 LEU 15 HD12 LEU 15 29.323 -2.957 -4.106 130 HD13 LEU 15 HD13 LEU 15 29.374 -1.715 -5.356 131 HD21 LEU 15 HD21 LEU 15 30.212 0.831 -4.184 132 HD22 LEU 15 HD22 LEU 15 30.901 -0.221 -5.421 133 HD23 LEU 15 HD23 LEU 15 31.891 0.306 -4.060 134 H LEU 16 HN LEU 16 31.368 -1.844 0.514 135 HA LEU 16 HA LEU 16 33.221 -3.767 -0.663 136 HB2 LEU 16 HB2 LEU 16 33.554 -2.279 1.939 137 HB3 LEU 16 HB1 LEU 16 34.810 -2.985 0.922 138 HG LEU 16 HG LEU 16 33.051 -0.614 0.236 139 HD11 LEU 16 HD11 LEU 16 35.022 -0.288 1.804 140 HD12 LEU 16 HD12 LEU 16 35.089 0.660 0.318 141 HD13 LEU 16 HD13 LEU 16 36.064 -0.801 0.477 142 HD21 LEU 16 HD21 LEU 16 34.685 -0.592 -1.793 143 HD22 LEU 16 HD22 LEU 16 33.334 -1.726 -1.822 144 HD23 LEU 16 HD23 LEU 16 34.951 -2.291 -1.399 145 H THR 17 HN THR 17 30.558 -3.902 1.276 146 HA THR 17 HA THR 17 31.546 -6.271 2.742 147 HB THR 17 HB THR 17 29.674 -4.080 3.507 148 HG1 THR 17 HG1 THR 17 30.899 -5.216 5.519 149 HG21 THR 17 HG21 THR 17 28.895 -5.678 5.375 150 HG22 THR 17 HG22 THR 17 29.426 -6.977 4.311 151 HG23 THR 17 HG23 THR 17 28.154 -5.874 3.787 152 H PHE 18 HN PHE 18 28.438 -4.930 1.602 153 HA PHE 18 HA PHE 18 26.942 -7.200 1.456 154 HB2 PHE 18 HB2 PHE 18 26.385 -4.749 0.757 155 HB3 PHE 18 HB1 PHE 18 26.865 -5.286 -0.855 156 HD1 PHE 18 HD1 PHE 18 24.495 -5.856 1.938 157 HD2 PHE 18 HD2 PHE 18 25.518 -6.834 -2.118 158 HE1 PHE 18 HE1 PHE 18 22.293 -6.957 1.646 159 HE2 PHE 18 HE2 PHE 18 23.318 -7.936 -2.409 160 HZ PHE 18 HZ PHE 18 21.703 -7.997 -0.527 161 H LEU 19 HN LEU 19 29.314 -6.100 -0.951 162 HA LEU 19 HA LEU 19 28.815 -8.283 -2.747 163 HB2 LEU 19 HB2 LEU 19 30.935 -6.157 -2.539 164 HB3 LEU 19 HB1 LEU 19 31.088 -7.467 -3.705 165 HG LEU 19 HG LEU 19 29.977 -5.392 -4.620 166 HD11 LEU 19 HD11 LEU 19 29.304 -8.077 -5.022 167 HD12 LEU 19 HD12 LEU 19 28.862 -6.725 -6.064 168 HD13 LEU 19 HD13 LEU 19 27.752 -7.272 -4.807 169 HD21 LEU 19 HD21 LEU 19 27.623 -6.219 -2.917 170 HD22 LEU 19 HD22 LEU 19 27.819 -4.742 -3.856 171 HD23 LEU 19 HD23 LEU 19 28.768 -4.987 -2.390 172 H ALA 20 HN ALA 20 30.722 -7.859 0.091 173 HA ALA 20 HA ALA 20 32.508 -10.079 -0.519 174 HB1 ALA 20 HB1 ALA 20 32.565 -7.856 1.239 175 HB2 ALA 20 HB2 ALA 20 33.811 -9.081 1.003 176 HB3 ALA 20 HB3 ALA 20 32.577 -9.307 2.241 177 H PHE 21 HN PHE 21 29.917 -9.347 1.807 178 HA PHE 21 HA PHE 21 29.871 -12.062 2.799 179 HB2 PHE 21 HB2 PHE 21 28.147 -9.634 3.308 180 HB3 PHE 21 HB1 PHE 21 27.838 -11.204 4.049 181 HD1 PHE 21 HD2 PHE 21 30.654 -8.788 3.488 182 HD2 PHE 21 HD1 PHE 21 28.865 -11.702 6.091 183 HE1 PHE 21 HE2 PHE 21 32.383 -8.319 5.202 184 HE2 PHE 21 HE1 PHE 21 30.594 -11.231 7.804 185 HZ PHE 21 HZ PHE 21 32.352 -9.540 7.359 186 H GLY 22 HN GLY 22 28.016 -10.073 0.564 187 HA2 GLY 22 HA2 GLY 22 25.809 -11.812 0.222 188 HA3 GLY 22 HA1 GLY 22 26.337 -10.591 -0.928 189 H PHE 23 HN PHE 23 28.750 -11.369 -1.756 190 HA PHE 23 HA PHE 23 28.351 -13.234 -3.708 191 HB2 PHE 23 HB2 PHE 23 30.356 -12.172 -4.020 192 HB3 PHE 23 HB1 PHE 23 30.760 -12.206 -2.303 193 HD1 PHE 23 HD1 PHE 23 30.725 -14.151 -5.441 194 HD2 PHE 23 HD2 PHE 23 31.848 -14.121 -1.294 195 HE1 PHE 23 HE1 PHE 23 32.103 -16.181 -5.798 196 HE2 PHE 23 HE2 PHE 23 33.225 -16.149 -1.653 197 HZ PHE 23 HZ PHE 23 33.354 -17.181 -3.906 198 H TRP 24 HN TRP 24 29.197 -13.784 -0.349 199 HA TRP 24 HA TRP 24 29.546 -16.646 -0.762 200 HB2 TRP 24 HB2 TRP 24 31.068 -15.706 0.797 201 HB3 TRP 24 HB1 TRP 24 29.781 -14.840 1.640 202 HD1 TRP 24 HD1 TRP 24 30.466 -18.537 0.722 203 HE1 TRP 24 HE1 TRP 24 29.867 -19.993 2.767 204 HE3 TRP 24 HE3 TRP 24 28.912 -14.913 3.943 205 HZ2 TRP 24 HZ2 TRP 24 28.862 -19.656 5.420 206 HZ3 TRP 24 HZ3 TRP 24 28.137 -15.499 6.228 207 HH2 TRP 24 HH2 TRP 24 28.111 -17.865 6.966 208 H LEU 25 HN LEU 25 27.658 -14.782 1.603 209 HA LEU 25 HA LEU 25 25.935 -16.412 2.691 210 HB2 LEU 25 HB2 LEU 25 25.502 -13.736 1.505 211 HB3 LEU 25 HB1 LEU 25 24.057 -14.635 1.969 212 HG LEU 25 HG LEU 25 26.397 -14.433 3.843 213 HD11 LEU 25 HD11 LEU 25 25.306 -12.451 4.863 214 HD12 LEU 25 HD12 LEU 25 24.140 -12.431 3.541 215 HD13 LEU 25 HD13 LEU 25 25.846 -12.124 3.218 216 HD21 LEU 25 HD21 LEU 25 24.058 -15.844 3.961 217 HD22 LEU 25 HD22 LEU 25 23.595 -14.356 4.787 218 HD23 LEU 25 HD23 LEU 25 24.957 -15.308 5.380 219 H PHE 26 HN PHE 26 25.277 -15.273 -0.632 220 HA PHE 26 HA PHE 26 23.079 -17.064 -0.958 221 HB2 PHE 26 HB2 PHE 26 24.620 -15.839 -3.231 222 HB3 PHE 26 HB1 PHE 26 22.899 -16.207 -3.138 223 HD1 PHE 26 HD1 PHE 26 21.859 -15.090 -0.789 224 HD2 PHE 26 HD2 PHE 26 25.051 -13.546 -3.217 225 HE1 PHE 26 HE1 PHE 26 21.412 -12.812 0.072 226 HE2 PHE 26 HE2 PHE 26 24.603 -11.268 -2.353 227 HZ PHE 26 HZ PHE 26 22.786 -10.901 -0.708 228 H LYS 27 HN LYS 27 26.143 -16.985 -2.785 229 HA LYS 27 HA LYS 27 25.908 -19.481 -3.946 230 HB2 LYS 27 HB2 LYS 27 28.342 -17.875 -3.195 231 HB3 LYS 27 HB1 LYS 27 28.443 -19.383 -4.107 232 HG2 LYS 27 HG2 LYS 27 27.261 -18.512 -5.935 233 HG3 LYS 27 HG1 LYS 27 26.550 -17.213 -4.976 234 HD2 LYS 27 HD2 LYS 27 28.422 -15.886 -5.127 235 HD3 LYS 27 HD1 LYS 27 29.523 -17.262 -5.213 236 HE2 LYS 27 HE2 LYS 27 29.088 -15.815 -7.364 237 HE3 LYS 27 HE1 LYS 27 29.164 -17.571 -7.501 238 HZ1 LYS 27 HZ1 LYS 27 26.976 -17.724 -7.919 239 HZ2 LYS 27 HZ2 LYS 27 27.138 -16.107 -8.412 240 HZ3 LYS 27 HZ3 LYS 27 26.559 -16.470 -6.857 241 H TYR 28 HN TYR 28 25.941 -19.061 -0.695 242 HA TYR 28 HA TYR 28 27.130 -21.734 -0.262 243 HB2 TYR 28 HB2 TYR 28 28.673 -20.692 1.003 244 HB3 TYR 28 HB1 TYR 28 27.747 -19.195 1.063 245 HD1 TYR 28 HD1 TYR 28 27.701 -22.697 2.396 246 HD2 TYR 28 HD2 TYR 28 26.691 -18.577 3.052 247 HE1 TYR 28 HE1 TYR 28 26.960 -23.245 4.700 248 HE2 TYR 28 HE2 TYR 28 25.946 -19.122 5.354 249 HH TYR 28 HH TYR 28 26.770 -21.551 7.021 250 H LEU 29 HN LEU 29 24.716 -19.345 0.747 251 HA LEU 29 HA LEU 29 23.337 -21.443 2.289 252 HB2 LEU 29 HB2 LEU 29 23.886 -18.928 3.053 253 HB3 LEU 29 HB1 LEU 29 22.320 -18.655 2.289 254 HG LEU 29 HG LEU 29 22.900 -20.700 4.451 255 HD11 LEU 29 HD11 LEU 29 21.528 -18.005 4.455 256 HD12 LEU 29 HD12 LEU 29 22.893 -18.527 5.443 257 HD13 LEU 29 HD13 LEU 29 21.287 -19.196 5.735 258 HD21 LEU 29 HD21 LEU 29 20.259 -20.627 4.403 259 HD22 LEU 29 HD22 LEU 29 21.132 -21.644 3.257 260 HD23 LEU 29 HD23 LEU 29 20.506 -20.075 2.747 261 H GLN 30 HN GLN 30 22.833 -19.118 -0.332 262 HA GLN 30 HA GLN 30 20.094 -19.761 -0.764 263 HB2 GLN 30 HB2 GLN 30 20.917 -17.677 -1.599 264 HB3 GLN 30 HB1 GLN 30 22.171 -18.481 -2.544 265 HG2 GLN 30 HG2 GLN 30 20.714 -19.176 -4.171 266 HG3 GLN 30 HG1 GLN 30 19.354 -19.293 -3.056 267 HE21 GLN 30 HE21 GLN 30 21.129 -16.314 -2.841 268 HE22 GLN 30 HE22 GLN 30 20.026 -15.359 -3.707 269 H LYS 31 HN LYS 31 23.063 -21.284 -1.703 270 HA LYS 31 HA LYS 31 21.822 -22.838 -3.828 271 HB2 LYS 31 HB2 LYS 31 24.557 -22.398 -2.810 272 HB3 LYS 31 HB1 LYS 31 24.234 -24.028 -3.403 273 HG2 LYS 31 HG2 LYS 31 25.052 -22.565 -5.218 274 HG3 LYS 31 HG1 LYS 31 23.399 -23.096 -5.530 275 HD2 LYS 31 HD2 LYS 31 22.496 -21.000 -5.096 276 HD3 LYS 31 HD1 LYS 31 23.824 -20.532 -4.035 277 HE2 LYS 31 HE2 LYS 31 25.325 -20.396 -6.016 278 HE3 LYS 31 HE1 LYS 31 23.960 -20.803 -7.054 279 HZ1 LYS 31 HZ1 LYS 31 24.314 -18.416 -6.950 280 HZ2 LYS 31 HZ2 LYS 31 24.123 -18.441 -5.262 281 HZ3 LYS 31 HZ3 LYS 31 22.815 -18.830 -6.274 282 H LYS 32 HN LYS 32 21.473 -22.959 -0.633 283 HA LYS 32 HA LYS 32 21.804 -25.849 -0.305 284 HB2 LYS 32 HB2 LYS 32 20.815 -23.774 1.664 285 HB3 LYS 32 HB1 LYS 32 21.231 -25.444 2.038 286 HG2 LYS 32 HG2 LYS 32 23.186 -23.461 0.837 287 HG3 LYS 32 HG1 LYS 32 23.043 -23.749 2.568 288 HD2 LYS 32 HD2 LYS 32 24.518 -25.433 2.313 289 HD3 LYS 32 HD1 LYS 32 23.266 -26.314 1.441 290 HE2 LYS 32 HE2 LYS 32 24.009 -25.079 -0.650 291 HE3 LYS 32 HE1 LYS 32 25.392 -24.501 0.279 292 HZ1 LYS 32 HZ1 LYS 32 24.723 -27.376 0.095 293 HZ2 LYS 32 HZ2 LYS 32 26.189 -26.661 0.569 294 HZ3 LYS 32 HZ3 LYS 32 25.705 -26.612 -1.058 Start of MODEL 15 1 H1 LYS 1 HT1 LYS 1 18.977 16.452 -4.244 2 H2 LYS 1 HT2 LYS 1 20.521 16.067 -3.649 3 H3 LYS 1 HT3 LYS 1 19.579 17.248 -2.874 4 HA LYS 1 HA LYS 1 19.227 15.487 -1.485 5 HB2 LYS 1 HB2 LYS 1 17.082 16.344 -2.542 6 HB3 LYS 1 HB1 LYS 1 17.150 14.951 -3.623 7 HG2 LYS 1 HG2 LYS 1 17.572 13.867 -1.083 8 HG3 LYS 1 HG1 LYS 1 16.314 15.079 -0.836 9 HD2 LYS 1 HD2 LYS 1 15.000 14.101 -2.679 10 HD3 LYS 1 HD1 LYS 1 16.257 12.890 -2.934 11 HE2 LYS 1 HE2 LYS 1 15.503 12.950 -0.147 12 HE3 LYS 1 HE1 LYS 1 14.073 12.726 -1.152 13 HZ1 LYS 1 HZ1 LYS 1 15.222 10.920 -2.296 14 HZ2 LYS 1 HZ2 LYS 1 15.080 10.610 -0.631 15 HZ3 LYS 1 HZ3 LYS 1 16.566 11.118 -1.279 16 H LYS 2 HN LYS 2 21.353 14.471 -2.452 17 HA LYS 2 HA LYS 2 21.209 12.269 -4.204 18 HB2 LYS 2 HB2 LYS 2 23.311 13.430 -3.499 19 HB3 LYS 2 HB1 LYS 2 23.160 12.653 -1.923 20 HG2 LYS 2 HG2 LYS 2 22.834 10.611 -3.862 21 HG3 LYS 2 HG1 LYS 2 24.231 11.563 -4.362 22 HD2 LYS 2 HD2 LYS 2 23.809 10.413 -1.587 23 HD3 LYS 2 HD1 LYS 2 24.875 9.732 -2.817 24 HE2 LYS 2 HE2 LYS 2 25.542 12.472 -2.637 25 HE3 LYS 2 HE1 LYS 2 25.393 11.895 -0.976 26 HZ1 LYS 2 HZ1 LYS 2 27.530 11.302 -1.421 27 HZ2 LYS 2 HZ2 LYS 2 27.251 11.063 -3.081 28 HZ3 LYS 2 HZ3 LYS 2 26.747 9.895 -1.955 29 H HIS 3 HN HIS 3 21.849 12.018 -0.707 30 HA HIS 3 HA HIS 3 19.718 10.133 -0.281 31 HB2 HIS 3 HB2 HIS 3 21.531 8.791 -1.469 32 HB3 HIS 3 HB1 HIS 3 22.523 9.042 -0.031 33 HD2 HIS 3 HD2 HIS 3 22.165 6.145 0.393 34 HE1 HIS 3 HE1 HIS 3 18.193 6.587 1.750 35 HE2 HIS 3 HE2 HIS 3 20.153 4.983 1.584 36 H THR 4 HN THR 4 21.879 8.944 1.719 37 HA THR 4 HA THR 4 21.631 11.109 3.724 38 HB THR 4 HB THR 4 20.039 9.434 4.353 39 HG1 THR 4 HG1 THR 4 20.786 9.515 6.293 40 HG21 THR 4 HG21 THR 4 21.966 7.665 3.136 41 HG22 THR 4 HG22 THR 4 20.290 7.341 3.577 42 HG23 THR 4 HG23 THR 4 21.574 7.097 4.759 43 H ILE 5 HN ILE 5 22.990 8.328 4.970 44 HA ILE 5 HA ILE 5 25.723 9.376 4.550 45 HB ILE 5 HB ILE 5 26.164 8.053 6.720 46 HG12 ILE 5 HG12 ILE 5 23.374 8.558 7.514 47 HG13 ILE 5 HG11 ILE 5 23.556 7.252 6.343 48 HG21 ILE 5 HG21 ILE 5 26.337 10.306 7.104 49 HG22 ILE 5 HG22 ILE 5 24.828 10.037 7.975 50 HG23 ILE 5 HG23 ILE 5 24.795 10.660 6.326 51 HD11 ILE 5 HD11 ILE 5 25.036 6.048 7.757 52 HD12 ILE 5 HD12 ILE 5 23.735 6.596 8.813 53 HD13 ILE 5 HD13 ILE 5 25.284 7.440 8.810 54 H TRP 6 HN TRP 6 23.600 6.671 4.247 55 HA TRP 6 HA TRP 6 25.211 4.464 4.247 56 HB2 TRP 6 HB2 TRP 6 22.731 5.224 2.988 57 HB3 TRP 6 HB1 TRP 6 23.683 4.228 1.889 58 HD1 TRP 6 HD1 TRP 6 22.647 1.906 2.128 59 HE1 TRP 6 HE1 TRP 6 22.196 0.293 4.081 60 HE3 TRP 6 HE3 TRP 6 23.808 4.946 6.051 61 HZ2 TRP 6 HZ2 TRP 6 22.314 0.294 6.934 62 HZ3 TRP 6 HZ3 TRP 6 23.631 4.117 8.381 63 HH2 TRP 6 HH2 TRP 6 22.885 1.795 8.827 64 H GLU 7 HN GLU 7 24.682 6.553 1.400 65 HA GLU 7 HA GLU 7 26.564 5.343 -0.273 66 HB2 GLU 7 HB2 GLU 7 24.940 7.707 -0.271 67 HB3 GLU 7 HB1 GLU 7 26.556 8.108 -0.855 68 HG2 GLU 7 HG2 GLU 7 24.898 5.785 -1.873 69 HG3 GLU 7 HG1 GLU 7 25.011 7.350 -2.675 70 H VAL 8 HN VAL 8 27.102 7.050 2.581 71 HA VAL 8 HA VAL 8 29.815 7.863 1.782 72 HB VAL 8 HB VAL 8 28.487 8.479 4.418 73 HG11 VAL 8 HG11 VAL 8 30.246 9.908 4.741 74 HG12 VAL 8 HG12 VAL 8 30.363 10.313 3.030 75 HG13 VAL 8 HG13 VAL 8 31.053 8.805 3.628 76 HG21 VAL 8 HG21 VAL 8 27.009 9.262 2.596 77 HG22 VAL 8 HG22 VAL 8 28.379 10.069 1.832 78 HG23 VAL 8 HG23 VAL 8 27.790 10.624 3.399 79 H ILE 9 HN ILE 9 28.060 5.849 4.107 80 HA ILE 9 HA ILE 9 30.625 4.653 4.932 81 HB ILE 9 HB ILE 9 29.744 5.452 6.898 82 HG12 ILE 9 HG12 ILE 9 29.712 2.741 6.715 83 HG13 ILE 9 HG11 ILE 9 29.351 3.622 8.183 84 HG21 ILE 9 HG21 ILE 9 27.768 6.462 6.109 85 HG22 ILE 9 HG22 ILE 9 27.258 5.385 7.402 86 HG23 ILE 9 HG23 ILE 9 27.026 4.913 5.716 87 HD11 ILE 9 HD11 ILE 9 27.173 2.901 6.216 88 HD12 ILE 9 HD12 ILE 9 27.007 3.398 7.894 89 HD13 ILE 9 HD13 ILE 9 27.668 1.812 7.506 90 H ALA 10 HN ALA 10 27.243 3.896 4.132 91 HA ALA 10 HA ALA 10 27.671 1.072 4.029 92 HB1 ALA 10 HB1 ALA 10 25.517 2.696 2.658 93 HB2 ALA 10 HB2 ALA 10 25.437 2.135 4.329 94 HB3 ALA 10 HB3 ALA 10 25.475 0.968 3.009 95 H GLY 11 HN GLY 11 26.908 3.309 1.344 96 HA2 GLY 11 HA2 GLY 11 27.624 1.630 -0.744 97 HA3 GLY 11 HA1 GLY 11 27.720 3.389 -0.816 98 H LEU 12 HN LEU 12 29.549 2.965 1.682 99 HA LEU 12 HA LEU 12 32.012 2.684 0.108 100 HB2 LEU 12 HB2 LEU 12 31.537 4.803 1.453 101 HB3 LEU 12 HB1 LEU 12 31.778 3.816 2.896 102 HG LEU 12 HG LEU 12 33.965 3.128 1.390 103 HD11 LEU 12 HD11 LEU 12 34.881 5.054 0.341 104 HD12 LEU 12 HD12 LEU 12 33.683 6.120 1.075 105 HD13 LEU 12 HD13 LEU 12 33.204 5.004 -0.203 106 HD21 LEU 12 HD21 LEU 12 33.686 5.406 3.377 107 HD22 LEU 12 HD22 LEU 12 35.208 4.639 2.928 108 HD23 LEU 12 HD23 LEU 12 33.970 3.712 3.774 109 H VAL 13 HN VAL 13 30.171 1.307 2.720 110 HA VAL 13 HA VAL 13 32.383 -0.579 3.289 111 HB VAL 13 HB VAL 13 30.032 0.216 5.022 112 HG11 VAL 13 HG11 VAL 13 30.318 -1.909 5.801 113 HG12 VAL 13 HG12 VAL 13 31.718 -1.208 6.614 114 HG13 VAL 13 HG13 VAL 13 31.923 -2.062 5.084 115 HG21 VAL 13 HG21 VAL 13 31.586 1.394 6.334 116 HG22 VAL 13 HG22 VAL 13 32.156 1.726 4.699 117 HG23 VAL 13 HG23 VAL 13 32.958 0.501 5.681 118 H ALA 14 HN ALA 14 28.817 -0.444 3.099 119 HA ALA 14 HA ALA 14 28.202 -3.105 3.130 120 HB1 ALA 14 HB1 ALA 14 26.285 -2.581 1.683 121 HB2 ALA 14 HB2 ALA 14 27.038 -1.050 1.229 122 HB3 ALA 14 HB3 ALA 14 26.517 -1.319 2.893 123 H LEU 15 HN LEU 15 29.293 -1.242 0.298 124 HA LEU 15 HA LEU 15 29.274 -3.410 -1.521 125 HB2 LEU 15 HB2 LEU 15 31.053 -0.959 -1.563 126 HB3 LEU 15 HB1 LEU 15 30.654 -1.990 -2.939 127 HG LEU 15 HG LEU 15 28.661 -0.388 -1.311 128 HD11 LEU 15 HD11 LEU 15 28.740 1.256 -2.914 129 HD12 LEU 15 HD12 LEU 15 29.132 0.122 -4.204 130 HD13 LEU 15 HD13 LEU 15 30.391 0.665 -3.096 131 HD21 LEU 15 HD21 LEU 15 27.291 -1.035 -3.489 132 HD22 LEU 15 HD22 LEU 15 27.390 -2.152 -2.126 133 HD23 LEU 15 HD23 LEU 15 28.427 -2.383 -3.535 134 H LEU 16 HN LEU 16 31.538 -2.280 0.859 135 HA LEU 16 HA LEU 16 33.566 -4.220 0.004 136 HB2 LEU 16 HB2 LEU 16 33.776 -2.274 2.296 137 HB3 LEU 16 HB1 LEU 16 35.083 -3.054 1.401 138 HG LEU 16 HG LEU 16 33.159 -0.966 0.346 139 HD11 LEU 16 HD11 LEU 16 34.985 0.504 0.326 140 HD12 LEU 16 HD12 LEU 16 36.163 -0.809 0.378 141 HD13 LEU 16 HD13 LEU 16 35.242 -0.391 1.823 142 HD21 LEU 16 HD21 LEU 16 34.758 -1.180 -1.691 143 HD22 LEU 16 HD22 LEU 16 33.506 -2.407 -1.486 144 HD23 LEU 16 HD23 LEU 16 35.170 -2.755 -1.012 145 H THR 17 HN THR 17 30.846 -4.429 1.660 146 HA THR 17 HA THR 17 31.896 -6.506 3.448 147 HB THR 17 HB THR 17 30.141 -4.196 4.282 148 HG1 THR 17 HG1 THR 17 31.758 -3.967 5.816 149 HG21 THR 17 HG21 THR 17 30.498 -6.933 5.483 150 HG22 THR 17 HG22 THR 17 29.010 -6.017 5.243 151 HG23 THR 17 HG23 THR 17 30.144 -5.542 6.508 152 H PHE 18 HN PHE 18 28.717 -4.972 3.014 153 HA PHE 18 HA PHE 18 27.148 -7.216 3.145 154 HB2 PHE 18 HB2 PHE 18 26.519 -4.700 2.814 155 HB3 PHE 18 HB1 PHE 18 26.508 -5.113 1.101 156 HD1 PHE 18 HD1 PHE 18 25.284 -6.485 4.373 157 HD2 PHE 18 HD2 PHE 18 24.507 -5.908 0.188 158 HE1 PHE 18 HE1 PHE 18 23.046 -7.516 4.645 159 HE2 PHE 18 HE2 PHE 18 22.270 -6.938 0.461 160 HZ PHE 18 HZ PHE 18 21.539 -7.744 2.689 161 H LEU 19 HN LEU 19 28.622 -5.849 0.202 162 HA LEU 19 HA LEU 19 27.692 -7.964 -1.498 163 HB2 LEU 19 HB2 LEU 19 29.649 -5.703 -1.785 164 HB3 LEU 19 HB1 LEU 19 29.561 -6.952 -3.022 165 HG LEU 19 HG LEU 19 28.091 -4.933 -3.451 166 HD11 LEU 19 HD11 LEU 19 27.529 -7.673 -3.807 167 HD12 LEU 19 HD12 LEU 19 26.792 -6.320 -4.663 168 HD13 LEU 19 HD13 LEU 19 26.031 -6.962 -3.209 169 HD21 LEU 19 HD21 LEU 19 26.186 -4.525 -2.096 170 HD22 LEU 19 HD22 LEU 19 27.503 -4.773 -0.954 171 HD23 LEU 19 HD23 LEU 19 26.349 -6.068 -1.260 172 H ALA 20 HN ALA 20 30.876 -7.153 -0.107 173 HA ALA 20 HA ALA 20 32.427 -9.158 -1.136 174 HB1 ALA 20 HB1 ALA 20 33.801 -8.029 0.241 175 HB2 ALA 20 HB2 ALA 20 33.222 -9.098 1.520 176 HB3 ALA 20 HB3 ALA 20 32.469 -7.521 1.279 177 H PHE 21 HN PHE 21 30.507 -9.413 1.870 178 HA PHE 21 HA PHE 21 30.941 -12.271 2.002 179 HB2 PHE 21 HB2 PHE 21 29.301 -10.353 3.665 180 HB3 PHE 21 HB1 PHE 21 29.376 -12.089 3.975 181 HD1 PHE 21 HD2 PHE 21 31.645 -9.161 3.378 182 HD2 PHE 21 HD1 PHE 21 31.050 -12.910 5.386 183 HE1 PHE 21 HE2 PHE 21 33.787 -8.852 4.587 184 HE2 PHE 21 HE1 PHE 21 33.192 -12.601 6.595 185 HZ PHE 21 HZ PHE 21 34.559 -10.572 6.196 186 H GLY 22 HN GLY 22 28.363 -10.059 1.074 187 HA2 GLY 22 HA2 GLY 22 26.210 -11.834 0.932 188 HA3 GLY 22 HA1 GLY 22 26.404 -10.407 -0.081 189 H PHE 23 HN PHE 23 28.688 -11.062 -1.497 190 HA PHE 23 HA PHE 23 27.696 -12.565 -3.616 191 HB2 PHE 23 HB2 PHE 23 30.215 -11.326 -2.910 192 HB3 PHE 23 HB1 PHE 23 30.482 -12.871 -3.716 193 HD1 PHE 23 HD2 PHE 23 28.748 -13.296 -5.754 194 HD2 PHE 23 HD1 PHE 23 30.020 -9.459 -4.298 195 HE1 PHE 23 HE2 PHE 23 28.160 -12.273 -7.935 196 HE2 PHE 23 HE1 PHE 23 29.433 -8.437 -6.478 197 HZ PHE 23 HZ PHE 23 28.501 -9.844 -8.296 198 H TRP 24 HN TRP 24 28.907 -13.581 -0.606 199 HA TRP 24 HA TRP 24 29.336 -16.326 -1.582 200 HB2 TRP 24 HB2 TRP 24 31.228 -15.553 -0.337 201 HB3 TRP 24 HB1 TRP 24 30.197 -14.936 0.957 202 HD1 TRP 24 HD1 TRP 24 30.534 -18.352 -0.830 203 HE1 TRP 24 HE1 TRP 24 30.517 -20.204 0.967 204 HE3 TRP 24 HE3 TRP 24 30.094 -15.492 3.359 205 HZ2 TRP 24 HZ2 TRP 24 30.340 -20.433 3.809 206 HZ3 TRP 24 HZ3 TRP 24 30.001 -16.546 5.606 207 HH2 TRP 24 HH2 TRP 24 30.124 -19.013 5.833 208 H LEU 25 HN LEU 25 28.315 -15.030 1.550 209 HA LEU 25 HA LEU 25 26.845 -16.834 2.709 210 HB2 LEU 25 HB2 LEU 25 26.288 -13.955 2.298 211 HB3 LEU 25 HB1 LEU 25 24.959 -14.923 2.938 212 HG LEU 25 HG LEU 25 27.726 -15.174 4.096 213 HD11 LEU 25 HD11 LEU 25 25.606 -13.165 4.919 214 HD12 LEU 25 HD12 LEU 25 27.136 -12.769 4.137 215 HD13 LEU 25 HD13 LEU 25 27.129 -13.460 5.759 216 HD21 LEU 25 HD21 LEU 25 25.276 -15.296 5.755 217 HD22 LEU 25 HD22 LEU 25 26.682 -16.363 5.742 218 HD23 LEU 25 HD23 LEU 25 25.412 -16.563 4.534 219 H PHE 26 HN PHE 26 25.261 -14.923 0.127 220 HA PHE 26 HA PHE 26 23.028 -16.714 0.004 221 HB2 PHE 26 HB2 PHE 26 23.813 -14.804 -2.186 222 HB3 PHE 26 HB1 PHE 26 22.198 -15.305 -1.690 223 HD1 PHE 26 HD2 PHE 26 21.989 -14.954 1.097 224 HD2 PHE 26 HD1 PHE 26 24.217 -12.563 -1.691 225 HE1 PHE 26 HE2 PHE 26 21.861 -13.028 2.648 226 HE2 PHE 26 HE1 PHE 26 24.086 -10.635 -0.138 227 HZ PHE 26 HZ PHE 26 22.914 -10.870 2.032 228 H LYS 27 HN LYS 27 25.490 -15.942 -2.457 229 HA LYS 27 HA LYS 27 24.914 -17.967 -4.239 230 HB2 LYS 27 HB2 LYS 27 27.742 -17.089 -3.668 231 HB3 LYS 27 HB1 LYS 27 27.048 -17.603 -5.204 232 HG2 LYS 27 HG2 LYS 27 26.406 -15.051 -3.691 233 HG3 LYS 27 HG1 LYS 27 27.257 -15.184 -5.228 234 HD2 LYS 27 HD2 LYS 27 25.117 -16.372 -6.077 235 HD3 LYS 27 HD1 LYS 27 24.342 -15.686 -4.647 236 HE2 LYS 27 HE2 LYS 27 25.855 -14.079 -6.734 237 HE3 LYS 27 HE1 LYS 27 24.097 -14.214 -6.642 238 HZ1 LYS 27 HZ1 LYS 27 25.914 -12.668 -5.019 239 HZ2 LYS 27 HZ2 LYS 27 24.743 -13.520 -4.129 240 HZ3 LYS 27 HZ3 LYS 27 24.265 -12.425 -5.337 241 H TYR 28 HN TYR 28 25.924 -18.425 -1.068 242 HA TYR 28 HA TYR 28 26.985 -21.120 -1.710 243 HB2 TYR 28 HB2 TYR 28 28.807 -20.409 -0.595 244 HB3 TYR 28 HB1 TYR 28 27.960 -19.038 0.109 245 HD1 TYR 28 HD1 TYR 28 28.033 -22.783 0.345 246 HD2 TYR 28 HD2 TYR 28 27.567 -19.042 2.406 247 HE1 TYR 28 HE1 TYR 28 27.903 -23.989 2.508 248 HE2 TYR 28 HE2 TYR 28 27.441 -20.247 4.567 249 HH TYR 28 HH TYR 28 27.850 -22.258 5.575 250 H LEU 29 HN LEU 29 25.028 -19.233 0.574 251 HA LEU 29 HA LEU 29 23.956 -21.718 1.710 252 HB2 LEU 29 HB2 LEU 29 24.673 -19.467 2.971 253 HB3 LEU 29 HB1 LEU 29 23.013 -19.026 2.589 254 HG LEU 29 HG LEU 29 23.050 -20.055 4.779 255 HD11 LEU 29 HD11 LEU 29 21.242 -20.659 3.022 256 HD12 LEU 29 HD12 LEU 29 21.348 -21.649 4.476 257 HD13 LEU 29 HD13 LEU 29 22.038 -22.233 2.962 258 HD21 LEU 29 HD21 LEU 29 23.805 -22.755 4.028 259 HD22 LEU 29 HD22 LEU 29 24.431 -21.746 5.331 260 HD23 LEU 29 HD23 LEU 29 25.119 -21.626 3.716 261 H GLN 30 HN GLN 30 22.893 -18.799 0.004 262 HA GLN 30 HA GLN 30 20.140 -19.599 -0.112 263 HB2 GLN 30 HB2 GLN 30 20.757 -17.247 -0.250 264 HB3 GLN 30 HB1 GLN 30 21.684 -17.556 -1.715 265 HG2 GLN 30 HG2 GLN 30 19.840 -17.666 -3.030 266 HG3 GLN 30 HG1 GLN 30 18.890 -18.499 -1.799 267 HE21 GLN 30 HE21 GLN 30 20.528 -15.483 -0.975 268 HE22 GLN 30 HE22 GLN 30 19.123 -14.534 -0.895 269 H LYS 31 HN LYS 31 22.967 -20.355 -1.923 270 HA LYS 31 HA LYS 31 21.348 -21.455 -4.135 271 HB2 LYS 31 HB2 LYS 31 24.154 -20.454 -3.915 272 HB3 LYS 31 HB1 LYS 31 23.805 -21.721 -5.092 273 HG2 LYS 31 HG2 LYS 31 23.571 -19.424 -6.050 274 HG3 LYS 31 HG1 LYS 31 22.070 -20.350 -6.119 275 HD2 LYS 31 HD2 LYS 31 21.087 -19.134 -4.370 276 HD3 LYS 31 HD1 LYS 31 22.643 -18.577 -3.756 277 HE2 LYS 31 HE2 LYS 31 22.933 -17.182 -5.781 278 HE3 LYS 31 HE1 LYS 31 21.360 -17.722 -6.369 279 HZ1 LYS 31 HZ1 LYS 31 21.561 -15.519 -5.042 280 HZ2 LYS 31 HZ2 LYS 31 21.570 -16.542 -3.686 281 HZ3 LYS 31 HZ3 LYS 31 20.252 -16.558 -4.755 282 H LYS 32 HN LYS 32 23.992 -22.252 -1.897 283 HA LYS 32 HA LYS 32 24.821 -24.269 -1.169 284 HB2 LYS 32 HB2 LYS 32 21.954 -24.379 -1.070 285 HB3 LYS 32 HB1 LYS 32 22.580 -25.976 -1.482 286 HG2 LYS 32 HG2 LYS 32 24.153 -25.829 0.443 287 HG3 LYS 32 HG1 LYS 32 23.439 -24.277 0.881 288 HD2 LYS 32 HD2 LYS 32 21.940 -26.910 0.708 289 HD3 LYS 32 HD1 LYS 32 22.455 -26.125 2.202 290 HE2 LYS 32 HE2 LYS 32 20.291 -25.319 2.069 291 HE3 LYS 32 HE1 LYS 32 21.129 -24.064 1.158 292 HZ1 LYS 32 HZ1 LYS 32 20.180 -24.704 -0.746 293 HZ2 LYS 32 HZ2 LYS 32 19.047 -25.499 0.240 294 HZ3 LYS 32 HZ3 LYS 32 20.361 -26.357 -0.412 Start of MODEL 16 1 H1 LYS 1 HT1 LYS 1 23.362 19.481 -0.645 2 H2 LYS 1 HT2 LYS 1 24.240 18.617 -1.815 3 H3 LYS 1 HT3 LYS 1 23.993 17.951 -0.273 4 HA LYS 1 HA LYS 1 21.492 18.214 -0.868 5 HB2 LYS 1 HB2 LYS 1 22.569 17.681 -3.619 6 HB3 LYS 1 HB1 LYS 1 20.979 18.274 -3.140 7 HG2 LYS 1 HG2 LYS 1 22.327 20.342 -2.240 8 HG3 LYS 1 HG1 LYS 1 23.569 19.779 -3.357 9 HD2 LYS 1 HD2 LYS 1 22.388 21.124 -4.804 10 HD3 LYS 1 HD1 LYS 1 21.461 19.636 -5.007 11 HE2 LYS 1 HE2 LYS 1 19.968 20.448 -3.113 12 HE3 LYS 1 HE1 LYS 1 20.788 22.004 -3.247 13 HZ1 LYS 1 HZ1 LYS 1 20.091 22.192 -5.513 14 HZ2 LYS 1 HZ2 LYS 1 18.722 21.862 -4.560 15 HZ3 LYS 1 HZ3 LYS 1 19.424 20.631 -5.498 16 H LYS 2 HN LYS 2 24.439 16.541 -1.259 17 HA LYS 2 HA LYS 2 23.848 14.053 -2.211 18 HB2 LYS 2 HB2 LYS 2 26.076 14.714 -1.379 19 HB3 LYS 2 HB1 LYS 2 25.473 14.641 0.277 20 HG2 LYS 2 HG2 LYS 2 25.239 12.310 0.229 21 HG3 LYS 2 HG1 LYS 2 25.192 12.255 -1.534 22 HD2 LYS 2 HD2 LYS 2 27.357 11.428 -0.622 23 HD3 LYS 2 HD1 LYS 2 27.560 12.849 -1.650 24 HE2 LYS 2 HE2 LYS 2 27.841 14.292 0.229 25 HE3 LYS 2 HE1 LYS 2 27.262 13.061 1.352 26 HZ1 LYS 2 HZ1 LYS 2 29.882 13.531 0.528 27 HZ2 LYS 2 HZ2 LYS 2 29.424 12.022 -0.104 28 HZ3 LYS 2 HZ3 LYS 2 29.317 12.315 1.566 29 H HIS 3 HN HIS 3 23.506 12.000 -0.945 30 HA HIS 3 HA HIS 3 20.978 11.993 0.270 31 HB2 HIS 3 HB2 HIS 3 22.084 10.031 -0.815 32 HB3 HIS 3 HB1 HIS 3 23.152 9.911 0.583 33 HD2 HIS 3 HD2 HIS 3 21.760 7.360 1.072 34 HE1 HIS 3 HE1 HIS 3 18.304 9.259 2.579 35 HE2 HIS 3 HE2 HIS 3 19.514 7.037 2.367 36 H THR 4 HN THR 4 22.534 10.064 2.360 37 HA THR 4 HA THR 4 22.651 12.143 4.465 38 HB THR 4 HB THR 4 20.823 10.658 4.930 39 HG1 THR 4 HG1 THR 4 21.589 9.728 6.861 40 HG21 THR 4 HG21 THR 4 20.831 8.577 4.089 41 HG22 THR 4 HG22 THR 4 22.072 8.129 5.254 42 HG23 THR 4 HG23 THR 4 22.533 8.727 3.660 43 H ILE 5 HN ILE 5 23.572 9.160 5.593 44 HA ILE 5 HA ILE 5 26.429 9.867 5.364 45 HB ILE 5 HB ILE 5 26.588 8.241 7.362 46 HG12 ILE 5 HG12 ILE 5 23.822 8.993 8.065 47 HG13 ILE 5 HG11 ILE 5 23.946 7.802 6.771 48 HG21 ILE 5 HG21 ILE 5 25.196 10.927 7.530 49 HG22 ILE 5 HG22 ILE 5 26.930 10.621 7.635 50 HG23 ILE 5 HG23 ILE 5 25.859 10.077 8.926 51 HD11 ILE 5 HD11 ILE 5 25.280 6.340 8.142 52 HD12 ILE 5 HD12 ILE 5 23.863 6.804 9.084 53 HD13 ILE 5 HD13 ILE 5 25.420 7.567 9.400 54 H TRP 6 HN TRP 6 24.027 7.464 4.684 55 HA TRP 6 HA TRP 6 25.399 5.113 4.445 56 HB2 TRP 6 HB2 TRP 6 23.046 6.274 3.249 57 HB3 TRP 6 HB1 TRP 6 23.917 5.311 2.057 58 HD1 TRP 6 HD1 TRP 6 22.624 3.108 2.011 59 HE1 TRP 6 HE1 TRP 6 21.956 1.341 3.757 60 HE3 TRP 6 HE3 TRP 6 24.022 5.527 6.276 61 HZ2 TRP 6 HZ2 TRP 6 22.007 1.000 6.591 62 HZ3 TRP 6 HZ3 TRP 6 23.701 4.461 8.490 63 HH2 TRP 6 HH2 TRP 6 22.695 2.201 8.654 64 H GLU 7 HN GLU 7 25.167 7.554 1.846 65 HA GLU 7 HA GLU 7 27.004 6.318 0.112 66 HB2 GLU 7 HB2 GLU 7 25.555 8.808 0.266 67 HB3 GLU 7 HB1 GLU 7 27.192 9.078 -0.329 68 HG2 GLU 7 HG2 GLU 7 25.322 6.957 -1.416 69 HG3 GLU 7 HG1 GLU 7 25.532 8.549 -2.143 70 H VAL 8 HN VAL 8 27.629 7.417 3.127 71 HA VAL 8 HA VAL 8 30.390 8.238 2.470 72 HB VAL 8 HB VAL 8 29.047 8.745 5.115 73 HG11 VAL 8 HG11 VAL 8 31.013 10.588 3.877 74 HG12 VAL 8 HG12 VAL 8 31.631 9.003 4.341 75 HG13 VAL 8 HG13 VAL 8 30.876 10.044 5.549 76 HG21 VAL 8 HG21 VAL 8 27.616 9.735 3.358 77 HG22 VAL 8 HG22 VAL 8 29.029 10.519 2.651 78 HG23 VAL 8 HG23 VAL 8 28.465 10.994 4.253 79 H ILE 9 HN ILE 9 28.373 6.147 4.463 80 HA ILE 9 HA ILE 9 30.794 4.673 5.285 81 HB ILE 9 HB ILE 9 29.944 5.367 7.301 82 HG12 ILE 9 HG12 ILE 9 29.623 2.710 6.872 83 HG13 ILE 9 HG11 ILE 9 29.279 3.491 8.402 84 HG21 ILE 9 HG21 ILE 9 28.126 6.670 6.582 85 HG22 ILE 9 HG22 ILE 9 27.447 5.534 7.739 86 HG23 ILE 9 HG23 ILE 9 27.229 5.267 6.007 87 HD11 ILE 9 HD11 ILE 9 26.946 3.547 8.001 88 HD12 ILE 9 HD12 ILE 9 27.454 1.944 7.470 89 HD13 ILE 9 HD13 ILE 9 27.143 3.205 6.286 90 H ALA 10 HN ALA 10 27.409 4.385 4.279 91 HA ALA 10 HA ALA 10 27.533 1.536 3.937 92 HB1 ALA 10 HB1 ALA 10 25.591 3.508 2.710 93 HB2 ALA 10 HB2 ALA 10 25.408 2.782 4.308 94 HB3 ALA 10 HB3 ALA 10 25.365 1.766 2.868 95 H GLY 11 HN GLY 11 27.059 4.091 1.478 96 HA2 GLY 11 HA2 GLY 11 27.662 2.570 -0.761 97 HA3 GLY 11 HA1 GLY 11 27.941 4.309 -0.647 98 H LEU 12 HN LEU 12 29.650 3.460 1.820 99 HA LEU 12 HA LEU 12 32.115 3.083 0.272 100 HB2 LEU 12 HB2 LEU 12 31.807 5.075 1.851 101 HB3 LEU 12 HB1 LEU 12 31.932 3.908 3.167 102 HG LEU 12 HG LEU 12 34.081 3.141 1.769 103 HD11 LEU 12 HD11 LEU 12 33.844 6.110 1.190 104 HD12 LEU 12 HD12 LEU 12 33.654 4.832 -0.011 105 HD13 LEU 12 HD13 LEU 12 35.211 5.073 0.782 106 HD21 LEU 12 HD21 LEU 12 34.108 3.852 4.111 107 HD22 LEU 12 HD22 LEU 12 33.941 5.539 3.625 108 HD23 LEU 12 HD23 LEU 12 35.415 4.653 3.239 109 H VAL 13 HN VAL 13 30.078 1.649 2.713 110 HA VAL 13 HA VAL 13 32.043 -0.543 3.053 111 HB VAL 13 HB VAL 13 29.798 0.287 4.908 112 HG11 VAL 13 HG11 VAL 13 30.083 -2.059 5.140 113 HG12 VAL 13 HG12 VAL 13 31.063 -1.358 6.429 114 HG13 VAL 13 HG13 VAL 13 31.833 -1.944 4.955 115 HG21 VAL 13 HG21 VAL 13 32.067 1.655 4.636 116 HG22 VAL 13 HG22 VAL 13 32.713 0.333 5.608 117 HG23 VAL 13 HG23 VAL 13 31.400 1.329 6.235 118 H ALA 14 HN ALA 14 28.517 0.044 3.005 119 HA ALA 14 HA ALA 14 27.571 -2.503 2.748 120 HB1 ALA 14 HB1 ALA 14 25.687 -1.596 1.515 121 HB2 ALA 14 HB2 ALA 14 26.620 -0.167 1.073 122 HB3 ALA 14 HB3 ALA 14 26.168 -0.438 2.755 123 H LEU 15 HN LEU 15 28.816 -0.472 0.096 124 HA LEU 15 HA LEU 15 28.479 -2.425 -1.925 125 HB2 LEU 15 HB2 LEU 15 28.846 -0.007 -2.382 126 HB3 LEU 15 HB1 LEU 15 30.501 -0.169 -1.801 127 HG LEU 15 HG LEU 15 30.944 -1.859 -3.568 128 HD11 LEU 15 HD11 LEU 15 29.057 -1.697 -5.455 129 HD12 LEU 15 HD12 LEU 15 28.026 -1.416 -4.053 130 HD13 LEU 15 HD13 LEU 15 28.971 -2.902 -4.169 131 HD21 LEU 15 HD21 LEU 15 29.753 0.712 -4.654 132 HD22 LEU 15 HD22 LEU 15 30.969 -0.292 -5.444 133 HD23 LEU 15 HD23 LEU 15 31.367 0.569 -3.956 134 H LEU 16 HN LEU 16 30.957 -1.812 0.450 135 HA LEU 16 HA LEU 16 32.731 -3.830 -0.712 136 HB2 LEU 16 HB2 LEU 16 33.210 -2.240 1.803 137 HB3 LEU 16 HB1 LEU 16 34.400 -3.024 0.762 138 HG LEU 16 HG LEU 16 32.680 -0.632 0.056 139 HD11 LEU 16 HD11 LEU 16 35.692 -0.827 0.067 140 HD12 LEU 16 HD12 LEU 16 34.797 -0.403 1.527 141 HD13 LEU 16 HD13 LEU 16 34.687 0.621 0.096 142 HD21 LEU 16 HD21 LEU 16 34.211 -0.737 -2.043 143 HD22 LEU 16 HD22 LEU 16 32.840 -1.843 -1.958 144 HD23 LEU 16 HD23 LEU 16 34.462 -2.423 -1.588 145 H THR 17 HN THR 17 30.063 -3.929 1.112 146 HA THR 17 HA THR 17 31.034 -6.213 2.716 147 HB THR 17 HB THR 17 29.217 -3.962 3.467 148 HG1 THR 17 HG1 THR 17 30.624 -5.106 5.420 149 HG21 THR 17 HG21 THR 17 27.732 -5.735 3.919 150 HG22 THR 17 HG22 THR 17 28.575 -5.499 5.449 151 HG23 THR 17 HG23 THR 17 29.039 -6.825 4.385 152 H PHE 18 HN PHE 18 27.991 -4.768 1.535 153 HA PHE 18 HA PHE 18 26.313 -6.895 1.549 154 HB2 PHE 18 HB2 PHE 18 26.027 -4.487 0.548 155 HB3 PHE 18 HB1 PHE 18 26.453 -5.277 -0.972 156 HD1 PHE 18 HD2 PHE 18 24.133 -5.524 1.948 157 HD2 PHE 18 HD1 PHE 18 24.847 -6.520 -2.169 158 HE1 PHE 18 HE2 PHE 18 21.824 -6.410 1.762 159 HE2 PHE 18 HE1 PHE 18 22.538 -7.406 -2.354 160 HZ PHE 18 HZ PHE 18 21.026 -7.350 -0.389 161 H LEU 19 HN LEU 19 28.759 -6.242 -0.947 162 HA LEU 19 HA LEU 19 28.161 -8.615 -2.451 163 HB2 LEU 19 HB2 LEU 19 30.371 -6.573 -2.498 164 HB3 LEU 19 HB1 LEU 19 30.488 -8.037 -3.469 165 HG LEU 19 HG LEU 19 29.469 -6.057 -4.672 166 HD11 LEU 19 HD11 LEU 19 28.703 -8.757 -4.720 167 HD12 LEU 19 HD12 LEU 19 28.370 -7.549 -5.958 168 HD13 LEU 19 HD13 LEU 19 27.186 -7.860 -4.691 169 HD21 LEU 19 HD21 LEU 19 27.308 -5.264 -4.056 170 HD22 LEU 19 HD22 LEU 19 28.230 -5.321 -2.553 171 HD23 LEU 19 HD23 LEU 19 27.065 -6.592 -2.921 172 H ALA 20 HN ALA 20 30.965 -7.673 -0.443 173 HA ALA 20 HA ALA 20 32.446 -9.950 -0.463 174 HB1 ALA 20 HB1 ALA 20 33.542 -8.798 1.109 175 HB2 ALA 20 HB2 ALA 20 32.271 -9.180 2.271 176 HB3 ALA 20 HB3 ALA 20 32.157 -7.719 1.290 177 H PHE 21 HN PHE 21 29.791 -9.358 1.855 178 HA PHE 21 HA PHE 21 29.790 -12.084 2.766 179 HB2 PHE 21 HB2 PHE 21 27.900 -9.765 3.203 180 HB3 PHE 21 HB1 PHE 21 27.665 -11.356 3.930 181 HD1 PHE 21 HD2 PHE 21 30.259 -8.680 3.540 182 HD2 PHE 21 HD1 PHE 21 28.703 -11.861 5.971 183 HE1 PHE 21 HE2 PHE 21 31.870 -8.097 5.333 184 HE2 PHE 21 HE1 PHE 21 30.315 -11.278 7.764 185 HZ PHE 21 HZ PHE 21 31.898 -9.397 7.445 186 H GLY 22 HN GLY 22 27.657 -10.112 0.720 187 HA2 GLY 22 HA2 GLY 22 25.622 -11.859 0.171 188 HA3 GLY 22 HA1 GLY 22 26.270 -10.734 -1.017 189 H PHE 23 HN PHE 23 28.644 -11.585 -1.718 190 HA PHE 23 HA PHE 23 28.368 -13.563 -3.543 191 HB2 PHE 23 HB2 PHE 23 30.582 -12.246 -2.293 192 HB3 PHE 23 HB1 PHE 23 30.960 -13.960 -2.454 193 HD1 PHE 23 HD2 PHE 23 29.974 -14.965 -4.817 194 HD2 PHE 23 HD1 PHE 23 31.250 -10.928 -4.097 195 HE1 PHE 23 HE2 PHE 23 30.375 -14.659 -7.245 196 HE2 PHE 23 HE1 PHE 23 31.653 -10.622 -6.523 197 HZ PHE 23 HZ PHE 23 31.216 -12.488 -8.098 198 H TRP 24 HN TRP 24 29.999 -14.229 -0.444 199 HA TRP 24 HA TRP 24 29.896 -17.009 -0.596 200 HB2 TRP 24 HB2 TRP 24 31.297 -16.080 1.064 201 HB3 TRP 24 HB1 TRP 24 29.986 -15.115 1.745 202 HD1 TRP 24 HD1 TRP 24 30.742 -18.869 1.174 203 HE1 TRP 24 HE1 TRP 24 29.847 -20.182 3.205 204 HE3 TRP 24 HE3 TRP 24 28.687 -15.050 3.848 205 HZ2 TRP 24 HZ2 TRP 24 28.445 -19.675 5.640 206 HZ3 TRP 24 HZ3 TRP 24 27.575 -15.486 6.023 207 HH2 TRP 24 HH2 TRP 24 27.452 -17.794 6.921 208 H LEU 25 HN LEU 25 27.832 -15.032 1.515 209 HA LEU 25 HA LEU 25 25.995 -16.574 2.530 210 HB2 LEU 25 HB2 LEU 25 25.692 -13.996 1.103 211 HB3 LEU 25 HB1 LEU 25 24.207 -14.861 1.494 212 HG LEU 25 HG LEU 25 26.345 -14.524 3.571 213 HD11 LEU 25 HD11 LEU 25 25.896 -12.266 2.678 214 HD12 LEU 25 HD12 LEU 25 25.244 -12.442 4.308 215 HD13 LEU 25 HD13 LEU 25 24.167 -12.519 2.913 216 HD21 LEU 25 HD21 LEU 25 24.709 -15.197 5.030 217 HD22 LEU 25 HD22 LEU 25 24.015 -15.911 3.575 218 HD23 LEU 25 HD23 LEU 25 23.438 -14.348 4.152 219 H PHE 26 HN PHE 26 25.269 -15.455 -0.782 220 HA PHE 26 HA PHE 26 23.284 -17.406 -1.198 221 HB2 PHE 26 HB2 PHE 26 24.860 -16.207 -3.454 222 HB3 PHE 26 HB1 PHE 26 23.150 -16.624 -3.398 223 HD1 PHE 26 HD2 PHE 26 21.925 -15.440 -1.247 224 HD2 PHE 26 HD1 PHE 26 25.311 -13.925 -3.415 225 HE1 PHE 26 HE2 PHE 26 21.373 -13.144 -0.500 226 HE2 PHE 26 HE1 PHE 26 24.758 -11.625 -2.662 227 HZ PHE 26 HZ PHE 26 22.789 -11.234 -1.206 228 H LYS 27 HN LYS 27 26.533 -17.234 -2.664 229 HA LYS 27 HA LYS 27 26.458 -19.771 -3.845 230 HB2 LYS 27 HB2 LYS 27 28.681 -17.912 -3.055 231 HB3 LYS 27 HB1 LYS 27 29.041 -19.507 -3.713 232 HG2 LYS 27 HG2 LYS 27 28.928 -17.682 -5.449 233 HG3 LYS 27 HG1 LYS 27 27.823 -19.022 -5.744 234 HD2 LYS 27 HD2 LYS 27 25.949 -17.762 -4.934 235 HD3 LYS 27 HD1 LYS 27 27.003 -16.500 -4.297 236 HE2 LYS 27 HE2 LYS 27 27.399 -15.583 -6.373 237 HE3 LYS 27 HE1 LYS 27 27.208 -17.126 -7.205 238 HZ1 LYS 27 HZ1 LYS 27 24.833 -17.014 -6.812 239 HZ2 LYS 27 HZ2 LYS 27 25.359 -15.635 -7.654 240 HZ3 LYS 27 HZ3 LYS 27 25.011 -15.538 -5.995 241 H TYR 28 HN TYR 28 25.778 -19.678 -0.853 242 HA TYR 28 HA TYR 28 27.244 -22.110 -0.191 243 HB2 TYR 28 HB2 TYR 28 28.632 -21.043 1.219 244 HB3 TYR 28 HB1 TYR 28 27.725 -19.541 1.102 245 HD1 TYR 28 HD1 TYR 28 27.365 -22.981 2.551 246 HD2 TYR 28 HD2 TYR 28 26.626 -18.775 3.006 247 HE1 TYR 28 HE1 TYR 28 26.392 -23.395 4.797 248 HE2 TYR 28 HE2 TYR 28 25.652 -19.189 5.251 249 HH TYR 28 HH TYR 28 24.607 -21.041 6.487 250 H LEU 29 HN LEU 29 24.812 -19.732 0.889 251 HA LEU 29 HA LEU 29 23.321 -21.851 2.245 252 HB2 LEU 29 HB2 LEU 29 23.564 -19.026 2.562 253 HB3 LEU 29 HB1 LEU 29 21.877 -19.394 2.209 254 HG LEU 29 HG LEU 29 23.536 -20.795 4.320 255 HD11 LEU 29 HD11 LEU 29 22.224 -18.239 4.346 256 HD12 LEU 29 HD12 LEU 29 23.076 -19.047 5.662 257 HD13 LEU 29 HD13 LEU 29 21.354 -19.337 5.418 258 HD21 LEU 29 HD21 LEU 29 20.704 -20.979 4.687 259 HD22 LEU 29 HD22 LEU 29 21.847 -22.284 4.367 260 HD23 LEU 29 HD23 LEU 29 21.070 -21.441 3.025 261 H GLN 30 HN GLN 30 23.122 -19.811 -0.605 262 HA GLN 30 HA GLN 30 20.447 -20.756 -1.276 263 HB2 GLN 30 HB2 GLN 30 20.895 -18.474 -1.835 264 HB3 GLN 30 HB1 GLN 30 22.387 -18.905 -2.659 265 HG2 GLN 30 HG2 GLN 30 21.287 -19.842 -4.480 266 HG3 GLN 30 HG1 GLN 30 19.784 -20.067 -3.581 267 HE21 GLN 30 HE21 GLN 30 21.180 -16.995 -2.946 268 HE22 GLN 30 HE22 GLN 30 20.219 -16.089 -4.009 269 H LYS 31 HN LYS 31 23.533 -21.963 -1.555 270 HA LYS 31 HA LYS 31 22.883 -23.477 -4.014 271 HB2 LYS 31 HB2 LYS 31 25.408 -22.373 -2.912 272 HB3 LYS 31 HB1 LYS 31 25.511 -23.960 -3.675 273 HG2 LYS 31 HG2 LYS 31 25.896 -22.142 -5.312 274 HG3 LYS 31 HG1 LYS 31 24.448 -23.068 -5.707 275 HD2 LYS 31 HD2 LYS 31 23.006 -21.361 -5.016 276 HD3 LYS 31 HD1 LYS 31 24.227 -20.616 -3.982 277 HE2 LYS 31 HE2 LYS 31 25.501 -19.929 -5.984 278 HE3 LYS 31 HE1 LYS 31 24.272 -20.660 -7.015 279 HZ1 LYS 31 HZ1 LYS 31 22.646 -19.142 -6.176 280 HZ2 LYS 31 HZ2 LYS 31 23.989 -18.244 -6.701 281 HZ3 LYS 31 HZ3 LYS 31 23.736 -18.509 -5.042 282 H LYS 32 HN LYS 32 22.345 -23.867 -0.952 283 HA LYS 32 HA LYS 32 23.572 -26.525 -0.651 284 HB2 LYS 32 HB2 LYS 32 22.882 -26.384 1.683 285 HB3 LYS 32 HB1 LYS 32 23.769 -24.925 1.237 286 HG2 LYS 32 HG2 LYS 32 21.995 -23.774 2.035 287 HG3 LYS 32 HG1 LYS 32 21.141 -24.303 0.586 288 HD2 LYS 32 HD2 LYS 32 20.397 -26.342 1.791 289 HD3 LYS 32 HD1 LYS 32 21.203 -25.757 3.247 290 HE2 LYS 32 HE2 LYS 32 19.777 -23.750 3.244 291 HE3 LYS 32 HE1 LYS 32 18.978 -24.315 1.777 292 HZ1 LYS 32 HZ1 LYS 32 18.993 -26.328 3.782 293 HZ2 LYS 32 HZ2 LYS 32 17.676 -25.642 2.957 294 HZ3 LYS 32 HZ3 LYS 32 18.276 -24.907 4.366 Start of MODEL 17 1 H1 LYS 1 HT1 LYS 1 23.827 17.293 -4.638 2 H2 LYS 1 HT2 LYS 1 22.827 16.168 -5.429 3 H3 LYS 1 HT3 LYS 1 24.416 15.744 -5.001 4 HA LYS 1 HA LYS 1 22.989 16.623 -2.717 5 HB2 LYS 1 HB2 LYS 1 21.270 14.961 -2.614 6 HB3 LYS 1 HB1 LYS 1 21.091 15.752 -4.181 7 HG2 LYS 1 HG2 LYS 1 22.665 13.867 -5.050 8 HG3 LYS 1 HG1 LYS 1 22.218 13.029 -3.566 9 HD2 LYS 1 HD2 LYS 1 19.767 13.830 -4.416 10 HD3 LYS 1 HD1 LYS 1 20.582 13.622 -5.966 11 HE2 LYS 1 HE2 LYS 1 20.325 11.554 -3.765 12 HE3 LYS 1 HE1 LYS 1 19.554 11.510 -5.350 13 HZ1 LYS 1 HZ1 LYS 1 21.408 10.167 -5.600 14 HZ2 LYS 1 HZ2 LYS 1 22.408 11.184 -4.677 15 HZ3 LYS 1 HZ3 LYS 1 21.930 11.648 -6.241 16 H LYS 2 HN LYS 2 22.711 14.069 -1.572 17 HA LYS 2 HA LYS 2 24.976 12.408 -2.030 18 HB2 LYS 2 HB2 LYS 2 25.467 14.763 -0.499 19 HB3 LYS 2 HB1 LYS 2 25.543 13.385 0.597 20 HG2 LYS 2 HG2 LYS 2 27.015 13.557 -2.049 21 HG3 LYS 2 HG1 LYS 2 27.741 13.888 -0.477 22 HD2 LYS 2 HD2 LYS 2 26.344 11.354 -0.415 23 HD3 LYS 2 HD1 LYS 2 27.507 11.378 -1.739 24 HE2 LYS 2 HE2 LYS 2 28.096 12.041 1.160 25 HE3 LYS 2 HE1 LYS 2 28.589 10.578 0.308 26 HZ1 LYS 2 HZ1 LYS 2 29.584 12.358 -1.335 27 HZ2 LYS 2 HZ2 LYS 2 30.447 11.821 0.027 28 HZ3 LYS 2 HZ3 LYS 2 29.616 13.303 0.073 29 H HIS 3 HN HIS 3 22.048 12.400 -1.433 30 HA HIS 3 HA HIS 3 20.520 11.227 -0.171 31 HB2 HIS 3 HB2 HIS 3 21.865 9.419 -1.236 32 HB3 HIS 3 HB1 HIS 3 22.886 9.381 0.200 33 HD2 HIS 3 HD2 HIS 3 21.751 6.686 0.553 34 HE1 HIS 3 HE1 HIS 3 18.074 8.167 2.004 35 HE2 HIS 3 HE2 HIS 3 19.510 6.088 1.757 36 H THR 4 HN THR 4 22.222 9.429 1.936 37 HA THR 4 HA THR 4 22.023 11.445 4.097 38 HB THR 4 HB THR 4 20.307 9.768 4.394 39 HG1 THR 4 HG1 THR 4 20.930 9.046 6.398 40 HG21 THR 4 HG21 THR 4 22.289 8.059 3.237 41 HG22 THR 4 HG22 THR 4 20.599 7.697 3.583 42 HG23 THR 4 HG23 THR 4 21.830 7.397 4.806 43 H ILE 5 HN ILE 5 23.124 8.602 5.313 44 HA ILE 5 HA ILE 5 25.930 9.499 5.163 45 HB ILE 5 HB ILE 5 26.130 7.926 7.194 46 HG12 ILE 5 HG12 ILE 5 23.287 8.449 7.778 47 HG13 ILE 5 HG11 ILE 5 23.557 7.265 6.499 48 HG21 ILE 5 HG21 ILE 5 26.335 10.163 7.756 49 HG22 ILE 5 HG22 ILE 5 24.837 9.777 8.603 50 HG23 ILE 5 HG23 ILE 5 24.782 10.592 7.040 51 HD11 ILE 5 HD11 ILE 5 25.048 7.134 9.118 52 HD12 ILE 5 HD12 ILE 5 24.836 5.862 7.914 53 HD13 ILE 5 HD13 ILE 5 23.471 6.370 8.909 54 H TRP 6 HN TRP 6 23.733 6.949 4.387 55 HA TRP 6 HA TRP 6 25.248 4.680 4.254 56 HB2 TRP 6 HB2 TRP 6 22.900 5.684 2.930 57 HB3 TRP 6 HB1 TRP 6 23.894 4.796 1.777 58 HD1 TRP 6 HD1 TRP 6 22.781 2.499 1.651 59 HE1 TRP 6 HE1 TRP 6 22.146 0.676 3.353 60 HE3 TRP 6 HE3 TRP 6 23.738 4.992 5.995 61 HZ2 TRP 6 HZ2 TRP 6 22.058 0.324 6.185 62 HZ3 TRP 6 HZ3 TRP 6 23.372 3.891 8.186 63 HH2 TRP 6 HH2 TRP 6 22.532 1.560 8.287 64 H GLU 7 HN GLU 7 25.034 7.085 1.621 65 HA GLU 7 HA GLU 7 27.045 5.941 0.018 66 HB2 GLU 7 HB2 GLU 7 25.435 8.336 0.044 67 HB3 GLU 7 HB1 GLU 7 27.088 8.708 -0.444 68 HG2 GLU 7 HG2 GLU 7 25.441 6.457 -1.628 69 HG3 GLU 7 HG1 GLU 7 25.590 8.055 -2.357 70 H VAL 8 HN VAL 8 27.421 7.091 3.051 71 HA VAL 8 HA VAL 8 30.159 8.085 2.552 72 HB VAL 8 HB VAL 8 28.629 8.524 5.108 73 HG11 VAL 8 HG11 VAL 8 31.239 8.938 4.466 74 HG12 VAL 8 HG12 VAL 8 30.358 9.907 5.647 75 HG13 VAL 8 HG13 VAL 8 30.543 10.487 3.992 76 HG21 VAL 8 HG21 VAL 8 27.962 10.724 4.196 77 HG22 VAL 8 HG22 VAL 8 27.259 9.417 3.244 78 HG23 VAL 8 HG23 VAL 8 28.664 10.291 2.637 79 H ILE 9 HN ILE 9 28.163 5.869 4.423 80 HA ILE 9 HA ILE 9 30.615 4.563 5.413 81 HB ILE 9 HB ILE 9 29.598 5.211 7.365 82 HG12 ILE 9 HG12 ILE 9 29.475 2.536 6.940 83 HG13 ILE 9 HG11 ILE 9 28.992 3.300 8.440 84 HG21 ILE 9 HG21 ILE 9 27.750 6.389 6.522 85 HG22 ILE 9 HG22 ILE 9 27.075 5.218 7.646 86 HG23 ILE 9 HG23 ILE 9 26.981 4.928 5.906 87 HD11 ILE 9 HD11 ILE 9 27.011 2.866 6.201 88 HD12 ILE 9 HD12 ILE 9 26.686 3.206 7.895 89 HD13 ILE 9 HD13 ILE 9 27.327 1.636 7.417 90 H ALA 10 HN ALA 10 27.325 4.063 4.198 91 HA ALA 10 HA ALA 10 27.641 1.227 3.887 92 HB1 ALA 10 HB1 ALA 10 25.664 3.065 2.522 93 HB2 ALA 10 HB2 ALA 10 25.431 2.353 4.118 94 HB3 ALA 10 HB3 ALA 10 25.532 1.316 2.696 95 H GLY 11 HN GLY 11 27.176 3.745 1.389 96 HA2 GLY 11 HA2 GLY 11 28.001 2.256 -0.800 97 HA3 GLY 11 HA1 GLY 11 28.173 4.007 -0.679 98 H LEU 12 HN LEU 12 29.770 3.301 1.886 99 HA LEU 12 HA LEU 12 32.348 3.060 0.507 100 HB2 LEU 12 HB2 LEU 12 31.832 5.020 2.060 101 HB3 LEU 12 HB1 LEU 12 31.910 3.857 3.384 102 HG LEU 12 HG LEU 12 34.198 3.209 2.128 103 HD11 LEU 12 HD11 LEU 12 35.304 5.233 1.306 104 HD12 LEU 12 HD12 LEU 12 33.854 6.183 1.629 105 HD13 LEU 12 HD13 LEU 12 33.834 4.942 0.377 106 HD21 LEU 12 HD21 LEU 12 34.262 3.741 4.427 107 HD22 LEU 12 HD22 LEU 12 33.611 5.360 4.161 108 HD23 LEU 12 HD23 LEU 12 35.270 4.988 3.692 109 H VAL 13 HN VAL 13 30.248 1.511 2.822 110 HA VAL 13 HA VAL 13 32.276 -0.613 3.213 111 HB VAL 13 HB VAL 13 30.011 0.139 5.076 112 HG11 VAL 13 HG11 VAL 13 32.275 -1.869 5.258 113 HG12 VAL 13 HG12 VAL 13 30.548 -2.223 5.214 114 HG13 VAL 13 HG13 VAL 13 31.246 -1.416 6.617 115 HG21 VAL 13 HG21 VAL 13 32.488 1.410 4.686 116 HG22 VAL 13 HG22 VAL 13 32.725 0.383 6.099 117 HG23 VAL 13 HG23 VAL 13 31.432 1.581 6.087 118 H ALA 14 HN ALA 14 28.731 -0.142 3.284 119 HA ALA 14 HA ALA 14 27.889 -2.724 2.980 120 HB1 ALA 14 HB1 ALA 14 25.936 -1.828 1.755 121 HB2 ALA 14 HB2 ALA 14 26.783 -0.296 1.544 122 HB3 ALA 14 HB3 ALA 14 26.332 -0.840 3.161 123 H LEU 15 HN LEU 15 29.078 -0.565 0.425 124 HA LEU 15 HA LEU 15 28.675 -2.441 -1.687 125 HB2 LEU 15 HB2 LEU 15 28.932 0.017 -2.046 126 HB3 LEU 15 HB1 LEU 15 30.621 -0.118 -1.563 127 HG LEU 15 HG LEU 15 31.006 -1.728 -3.418 128 HD11 LEU 15 HD11 LEU 15 29.021 -1.514 -5.200 129 HD12 LEU 15 HD12 LEU 15 28.060 -1.335 -3.733 130 HD13 LEU 15 HD13 LEU 15 29.031 -2.785 -3.977 131 HD21 LEU 15 HD21 LEU 15 31.353 0.733 -3.710 132 HD22 LEU 15 HD22 LEU 15 29.712 0.855 -4.344 133 HD23 LEU 15 HD23 LEU 15 30.927 -0.081 -5.215 134 H LEU 16 HN LEU 16 31.243 -1.776 0.589 135 HA LEU 16 HA LEU 16 33.044 -3.690 -0.699 136 HB2 LEU 16 HB2 LEU 16 33.535 -2.184 1.868 137 HB3 LEU 16 HB1 LEU 16 34.724 -2.886 0.769 138 HG LEU 16 HG LEU 16 32.914 -0.520 0.211 139 HD11 LEU 16 HD11 LEU 16 35.094 -0.321 1.616 140 HD12 LEU 16 HD12 LEU 16 34.872 0.791 0.266 141 HD13 LEU 16 HD13 LEU 16 35.925 -0.611 0.089 142 HD21 LEU 16 HD21 LEU 16 34.386 -0.499 -1.938 143 HD22 LEU 16 HD22 LEU 16 33.037 -1.633 -1.862 144 HD23 LEU 16 HD23 LEU 16 34.682 -2.197 -1.565 145 H THR 17 HN THR 17 30.431 -3.964 1.156 146 HA THR 17 HA THR 17 31.500 -6.274 2.658 147 HB THR 17 HB THR 17 29.703 -4.063 3.537 148 HG1 THR 17 HG1 THR 17 32.052 -4.881 4.123 149 HG21 THR 17 HG21 THR 17 29.438 -6.962 4.329 150 HG22 THR 17 HG22 THR 17 28.163 -5.833 3.871 151 HG23 THR 17 HG23 THR 17 28.979 -5.660 5.424 152 H PHE 18 HN PHE 18 28.358 -4.886 1.686 153 HA PHE 18 HA PHE 18 26.827 -7.139 1.588 154 HB2 PHE 18 HB2 PHE 18 26.263 -4.674 0.957 155 HB3 PHE 18 HB1 PHE 18 26.668 -5.181 -0.684 156 HD1 PHE 18 HD2 PHE 18 24.416 -5.780 2.196 157 HD2 PHE 18 HD1 PHE 18 25.252 -6.689 -1.919 158 HE1 PHE 18 HE2 PHE 18 22.190 -6.848 1.979 159 HE2 PHE 18 HE1 PHE 18 23.026 -7.758 -2.136 160 HZ PHE 18 HZ PHE 18 21.493 -7.838 -0.186 161 H LEU 19 HN LEU 19 29.124 -6.039 -0.879 162 HA LEU 19 HA LEU 19 28.516 -8.177 -2.702 163 HB2 LEU 19 HB2 LEU 19 30.673 -6.081 -2.546 164 HB3 LEU 19 HB1 LEU 19 30.747 -7.366 -3.749 165 HG LEU 19 HG LEU 19 29.631 -5.257 -4.565 166 HD11 LEU 19 HD11 LEU 19 28.405 -6.530 -5.972 167 HD12 LEU 19 HD12 LEU 19 27.365 -7.097 -4.666 168 HD13 LEU 19 HD13 LEU 19 28.891 -7.912 -4.994 169 HD21 LEU 19 HD21 LEU 19 27.535 -4.571 -3.682 170 HD22 LEU 19 HD22 LEU 19 28.543 -4.877 -2.266 171 HD23 LEU 19 HD23 LEU 19 27.343 -6.067 -2.769 172 H ALA 20 HN ALA 20 30.560 -7.812 0.053 173 HA ALA 20 HA ALA 20 32.294 -10.036 -0.670 174 HB1 ALA 20 HB1 ALA 20 33.675 -9.092 0.817 175 HB2 ALA 20 HB2 ALA 20 32.479 -9.294 2.099 176 HB3 ALA 20 HB3 ALA 20 32.465 -7.841 1.100 177 H PHE 21 HN PHE 21 29.823 -9.325 1.790 178 HA PHE 21 HA PHE 21 29.806 -12.051 2.747 179 HB2 PHE 21 HB2 PHE 21 28.102 -9.630 3.349 180 HB3 PHE 21 HB1 PHE 21 27.825 -11.208 4.087 181 HD1 PHE 21 HD2 PHE 21 30.613 -8.779 3.439 182 HD2 PHE 21 HD1 PHE 21 28.929 -11.716 6.085 183 HE1 PHE 21 HE2 PHE 21 32.399 -8.314 5.093 184 HE2 PHE 21 HE1 PHE 21 30.716 -11.251 7.738 185 HZ PHE 21 HZ PHE 21 32.451 -9.550 7.242 186 H GLY 22 HN GLY 22 27.853 -10.030 0.630 187 HA2 GLY 22 HA2 GLY 22 25.639 -11.767 0.356 188 HA3 GLY 22 HA1 GLY 22 26.110 -10.519 -0.790 189 H PHE 23 HN PHE 23 28.469 -11.267 -1.777 190 HA PHE 23 HA PHE 23 27.971 -13.093 -3.736 191 HB2 PHE 23 HB2 PHE 23 29.954 -11.998 -4.108 192 HB3 PHE 23 HB1 PHE 23 30.461 -12.125 -2.423 193 HD1 PHE 23 HD2 PHE 23 30.102 -13.995 -5.608 194 HD2 PHE 23 HD1 PHE 23 31.707 -14.000 -1.624 195 HE1 PHE 23 HE2 PHE 23 31.445 -16.006 -6.152 196 HE2 PHE 23 HE1 PHE 23 33.049 -16.011 -2.168 197 HZ PHE 23 HZ PHE 23 32.919 -17.016 -4.433 198 H TRP 24 HN TRP 24 29.199 -13.732 -0.484 199 HA TRP 24 HA TRP 24 29.447 -16.581 -0.947 200 HB2 TRP 24 HB2 TRP 24 31.013 -15.669 0.586 201 HB3 TRP 24 HB1 TRP 24 29.749 -14.829 1.487 202 HD1 TRP 24 HD1 TRP 24 30.420 -18.505 0.465 203 HE1 TRP 24 HE1 TRP 24 29.888 -20.007 2.493 204 HE3 TRP 24 HE3 TRP 24 28.947 -14.960 3.810 205 HZ2 TRP 24 HZ2 TRP 24 28.960 -19.732 5.181 206 HZ3 TRP 24 HZ3 TRP 24 28.242 -15.600 6.102 207 HH2 TRP 24 HH2 TRP 24 28.245 -17.982 6.790 208 H LEU 25 HN LEU 25 27.673 -14.844 1.585 209 HA LEU 25 HA LEU 25 25.975 -16.467 2.671 210 HB2 LEU 25 HB2 LEU 25 25.474 -13.787 1.514 211 HB3 LEU 25 HB1 LEU 25 24.060 -14.704 2.030 212 HG LEU 25 HG LEU 25 26.461 -14.494 3.819 213 HD11 LEU 25 HD11 LEU 25 25.454 -12.503 4.867 214 HD12 LEU 25 HD12 LEU 25 24.192 -12.492 3.637 215 HD13 LEU 25 HD13 LEU 25 25.868 -12.183 3.184 216 HD21 LEU 25 HD21 LEU 25 24.150 -15.916 4.022 217 HD22 LEU 25 HD22 LEU 25 23.674 -14.421 4.827 218 HD23 LEU 25 HD23 LEU 25 25.060 -15.339 5.417 219 H PHE 26 HN PHE 26 25.176 -15.275 -0.606 220 HA PHE 26 HA PHE 26 23.028 -17.137 -0.883 221 HB2 PHE 26 HB2 PHE 26 24.393 -15.745 -3.174 222 HB3 PHE 26 HB1 PHE 26 22.699 -16.224 -3.026 223 HD1 PHE 26 HD1 PHE 26 21.646 -15.278 -0.652 224 HD2 PHE 26 HD2 PHE 26 24.740 -13.445 -3.000 225 HE1 PHE 26 HE1 PHE 26 21.104 -13.081 0.350 226 HE2 PHE 26 HE2 PHE 26 24.198 -11.245 -1.996 227 HZ PHE 26 HZ PHE 26 22.383 -11.064 -0.318 228 H LYS 27 HN LYS 27 26.110 -16.902 -2.701 229 HA LYS 27 HA LYS 27 25.828 -19.467 -3.872 230 HB2 LYS 27 HB2 LYS 27 28.285 -17.749 -3.481 231 HB3 LYS 27 HB1 LYS 27 28.220 -19.193 -4.492 232 HG2 LYS 27 HG2 LYS 27 26.781 -18.208 -6.045 233 HG3 LYS 27 HG1 LYS 27 26.195 -17.011 -4.888 234 HD2 LYS 27 HD2 LYS 27 27.966 -15.603 -5.242 235 HD3 LYS 27 HD1 LYS 27 29.099 -16.928 -5.510 236 HE2 LYS 27 HE2 LYS 27 28.407 -15.431 -7.539 237 HE3 LYS 27 HE1 LYS 27 28.477 -17.180 -7.753 238 HZ1 LYS 27 HZ1 LYS 27 25.948 -16.263 -6.755 239 HZ2 LYS 27 HZ2 LYS 27 26.288 -17.296 -8.060 240 HZ3 LYS 27 HZ3 LYS 27 26.325 -15.612 -8.275 241 H TYR 28 HN TYR 28 25.528 -19.535 -0.972 242 HA TYR 28 HA TYR 28 27.282 -21.785 -0.442 243 HB2 TYR 28 HB2 TYR 28 28.785 -20.515 0.681 244 HB3 TYR 28 HB1 TYR 28 27.680 -19.147 0.808 245 HD1 TYR 28 HD2 TYR 28 28.390 -22.531 2.193 246 HD2 TYR 28 HD1 TYR 28 26.457 -18.745 2.784 247 HE1 TYR 28 HE2 TYR 28 27.861 -23.168 4.534 248 HE2 TYR 28 HE1 TYR 28 25.924 -19.380 5.124 249 HH TYR 28 HH TYR 28 26.646 -20.883 6.827 250 H LEU 29 HN LEU 29 24.883 -19.511 0.854 251 HA LEU 29 HA LEU 29 23.701 -21.653 2.466 252 HB2 LEU 29 HB2 LEU 29 24.131 -19.229 3.278 253 HB3 LEU 29 HB1 LEU 29 22.705 -18.816 2.327 254 HG LEU 29 HG LEU 29 21.829 -21.027 3.686 255 HD11 LEU 29 HD11 LEU 29 23.990 -20.992 4.987 256 HD12 LEU 29 HD12 LEU 29 22.544 -20.854 5.988 257 HD13 LEU 29 HD13 LEU 29 23.509 -19.421 5.630 258 HD21 LEU 29 HD21 LEU 29 21.726 -18.126 4.569 259 HD22 LEU 29 HD22 LEU 29 20.626 -19.392 5.115 260 HD23 LEU 29 HD23 LEU 29 20.630 -18.896 3.421 261 H GLN 30 HN GLN 30 23.077 -19.692 -0.362 262 HA GLN 30 HA GLN 30 20.353 -20.749 -0.625 263 HB2 GLN 30 HB2 GLN 30 20.549 -18.403 -1.078 264 HB3 GLN 30 HB1 GLN 30 21.913 -18.667 -2.156 265 HG2 GLN 30 HG2 GLN 30 20.600 -19.529 -3.855 266 HG3 GLN 30 HG1 GLN 30 19.305 -20.003 -2.754 267 HE21 GLN 30 HE21 GLN 30 20.543 -16.839 -2.126 268 HE22 GLN 30 HE22 GLN 30 19.298 -15.969 -2.883 269 H LYS 31 HN LYS 31 23.457 -21.630 -1.461 270 HA LYS 31 HA LYS 31 22.539 -23.120 -3.851 271 HB2 LYS 31 HB2 LYS 31 25.098 -21.757 -3.175 272 HB3 LYS 31 HB1 LYS 31 25.199 -23.261 -4.092 273 HG2 LYS 31 HG2 LYS 31 25.033 -21.228 -5.547 274 HG3 LYS 31 HG1 LYS 31 23.722 -22.378 -5.806 275 HD2 LYS 31 HD2 LYS 31 22.143 -21.022 -4.786 276 HD3 LYS 31 HD1 LYS 31 23.338 -20.209 -3.777 277 HE2 LYS 31 HE2 LYS 31 23.554 -19.857 -6.736 278 HE3 LYS 31 HE1 LYS 31 22.253 -19.008 -5.905 279 HZ1 LYS 31 HZ1 LYS 31 24.020 -18.232 -4.308 280 HZ2 LYS 31 HZ2 LYS 31 24.085 -17.568 -5.871 281 HZ3 LYS 31 HZ3 LYS 31 25.165 -18.801 -5.423 282 H LYS 32 HN LYS 32 22.616 -23.685 -0.788 283 HA LYS 32 HA LYS 32 24.312 -26.070 -0.751 284 HB2 LYS 32 HB2 LYS 32 23.645 -26.211 1.628 285 HB3 LYS 32 HB1 LYS 32 24.332 -24.636 1.230 286 HG2 LYS 32 HG2 LYS 32 22.459 -23.724 2.095 287 HG3 LYS 32 HG1 LYS 32 21.608 -24.351 0.684 288 HD2 LYS 32 HD2 LYS 32 21.182 -26.470 1.882 289 HD3 LYS 32 HD1 LYS 32 22.018 -25.832 3.297 290 HE2 LYS 32 HE2 LYS 32 20.069 -24.934 3.975 291 HE3 LYS 32 HE1 LYS 32 20.129 -23.865 2.573 292 HZ1 LYS 32 HZ1 LYS 32 18.475 -24.975 1.637 293 HZ2 LYS 32 HZ2 LYS 32 18.302 -25.877 3.066 294 HZ3 LYS 32 HZ3 LYS 32 19.286 -26.455 1.808 Start of MODEL 18 1 H1 LYS 1 HT1 LYS 1 23.917 19.090 -0.167 2 H2 LYS 1 HT2 LYS 1 25.438 19.026 0.584 3 H3 LYS 1 HT3 LYS 1 24.207 20.001 1.234 4 HA LYS 1 HA LYS 1 24.733 17.695 2.283 5 HB2 LYS 1 HB2 LYS 1 22.908 19.257 2.940 6 HB3 LYS 1 HB1 LYS 1 21.900 18.584 1.659 7 HG2 LYS 1 HG2 LYS 1 21.999 16.372 2.693 8 HG3 LYS 1 HG1 LYS 1 23.094 16.977 3.936 9 HD2 LYS 1 HD2 LYS 1 21.357 17.692 5.170 10 HD3 LYS 1 HD1 LYS 1 20.771 18.668 3.821 11 HE2 LYS 1 HE2 LYS 1 20.216 15.716 4.240 12 HE3 LYS 1 HE1 LYS 1 19.066 17.027 4.502 13 HZ1 LYS 1 HZ1 LYS 1 19.886 17.532 2.011 14 HZ2 LYS 1 HZ2 LYS 1 18.512 16.606 2.386 15 HZ3 LYS 1 HZ3 LYS 1 19.985 15.839 2.028 16 H LYS 2 HN LYS 2 25.513 16.078 0.912 17 HA LYS 2 HA LYS 2 23.838 14.989 -1.190 18 HB2 LYS 2 HB2 LYS 2 26.348 15.100 -1.324 19 HB3 LYS 2 HB1 LYS 2 26.411 13.863 -0.067 20 HG2 LYS 2 HG2 LYS 2 24.571 12.896 -1.960 21 HG3 LYS 2 HG1 LYS 2 25.905 13.555 -2.906 22 HD2 LYS 2 HD2 LYS 2 27.483 12.265 -1.406 23 HD3 LYS 2 HD1 LYS 2 26.069 11.472 -0.714 24 HE2 LYS 2 HE2 LYS 2 27.045 10.111 -2.525 25 HE3 LYS 2 HE1 LYS 2 25.423 10.658 -2.949 26 HZ1 LYS 2 HZ1 LYS 2 27.465 10.932 -4.578 27 HZ2 LYS 2 HZ2 LYS 2 27.662 12.374 -3.703 28 HZ3 LYS 2 HZ3 LYS 2 26.205 12.066 -4.520 29 H HIS 3 HN HIS 3 22.198 13.670 -0.742 30 HA HIS 3 HA HIS 3 20.836 12.230 0.460 31 HB2 HIS 3 HB2 HIS 3 22.434 10.785 -0.852 32 HB3 HIS 3 HB1 HIS 3 23.403 10.641 0.614 33 HD2 HIS 3 HD2 HIS 3 22.633 7.846 0.730 34 HE1 HIS 3 HE1 HIS 3 18.642 8.658 1.837 35 HE2 HIS 3 HE2 HIS 3 20.397 6.836 1.628 36 H THR 4 HN THR 4 22.652 10.360 2.323 37 HA THR 4 HA THR 4 22.472 12.131 4.690 38 HB THR 4 HB THR 4 20.717 10.514 4.891 39 HG1 THR 4 HG1 THR 4 21.602 9.220 6.653 40 HG21 THR 4 HG21 THR 4 22.564 8.847 3.446 41 HG22 THR 4 HG22 THR 4 20.854 8.574 3.772 42 HG23 THR 4 HG23 THR 4 22.065 8.020 4.922 43 H ILE 5 HN ILE 5 23.525 9.041 5.409 44 HA ILE 5 HA ILE 5 26.362 9.875 5.301 45 HB ILE 5 HB ILE 5 26.551 8.254 7.298 46 HG12 ILE 5 HG12 ILE 5 23.786 8.943 8.033 47 HG13 ILE 5 HG11 ILE 5 23.902 7.785 6.709 48 HG21 ILE 5 HG21 ILE 5 25.750 10.080 8.861 49 HG22 ILE 5 HG22 ILE 5 25.126 10.923 7.442 50 HG23 ILE 5 HG23 ILE 5 26.858 10.622 7.600 51 HD11 ILE 5 HD11 ILE 5 23.878 6.813 9.085 52 HD12 ILE 5 HD12 ILE 5 25.507 7.468 9.243 53 HD13 ILE 5 HD13 ILE 5 25.160 6.255 8.012 54 H TRP 6 HN TRP 6 24.002 7.446 4.586 55 HA TRP 6 HA TRP 6 25.381 5.107 4.358 56 HB2 TRP 6 HB2 TRP 6 23.074 6.277 3.086 57 HB3 TRP 6 HB1 TRP 6 23.989 5.323 1.920 58 HD1 TRP 6 HD1 TRP 6 22.707 3.111 1.818 59 HE1 TRP 6 HE1 TRP 6 21.982 1.337 3.535 60 HE3 TRP 6 HE3 TRP 6 23.938 5.526 6.137 61 HZ2 TRP 6 HZ2 TRP 6 21.931 0.991 6.369 62 HZ3 TRP 6 HZ3 TRP 6 23.542 4.453 8.336 63 HH2 TRP 6 HH2 TRP 6 22.540 2.187 8.457 64 H GLU 7 HN GLU 7 25.186 7.476 1.686 65 HA GLU 7 HA GLU 7 27.100 6.273 0.050 66 HB2 GLU 7 HB2 GLU 7 25.767 8.872 0.226 67 HB3 GLU 7 HB1 GLU 7 27.367 8.943 -0.513 68 HG2 GLU 7 HG2 GLU 7 25.294 6.897 -1.323 69 HG3 GLU 7 HG1 GLU 7 25.424 8.472 -2.105 70 H VAL 8 HN VAL 8 27.610 7.497 3.083 71 HA VAL 8 HA VAL 8 30.403 8.256 2.505 72 HB VAL 8 HB VAL 8 29.007 8.741 5.127 73 HG11 VAL 8 HG11 VAL 8 30.819 10.061 5.598 74 HG12 VAL 8 HG12 VAL 8 31.019 10.565 3.919 75 HG13 VAL 8 HG13 VAL 8 31.602 8.984 4.441 76 HG21 VAL 8 HG21 VAL 8 29.051 10.546 2.686 77 HG22 VAL 8 HG22 VAL 8 28.442 10.994 4.279 78 HG23 VAL 8 HG23 VAL 8 27.621 9.752 3.339 79 H ILE 9 HN ILE 9 28.349 6.144 4.445 80 HA ILE 9 HA ILE 9 30.756 4.667 5.300 81 HB ILE 9 HB ILE 9 29.844 5.357 7.297 82 HG12 ILE 9 HG12 ILE 9 29.603 2.693 6.843 83 HG13 ILE 9 HG11 ILE 9 29.219 3.453 8.374 84 HG21 ILE 9 HG21 ILE 9 27.336 5.455 7.680 85 HG22 ILE 9 HG22 ILE 9 27.161 5.181 5.945 86 HG23 ILE 9 HG23 ILE 9 28.007 6.608 6.535 87 HD11 ILE 9 HD11 ILE 9 27.121 3.121 6.223 88 HD12 ILE 9 HD12 ILE 9 26.887 3.456 7.933 89 HD13 ILE 9 HD13 ILE 9 27.447 1.868 7.415 90 H ALA 10 HN ALA 10 27.389 4.363 4.234 91 HA ALA 10 HA ALA 10 27.517 1.524 3.878 92 HB1 ALA 10 HB1 ALA 10 25.388 2.778 4.172 93 HB2 ALA 10 HB2 ALA 10 25.391 1.772 2.723 94 HB3 ALA 10 HB3 ALA 10 25.634 3.513 2.589 95 H GLY 11 HN GLY 11 27.144 4.079 1.403 96 HA2 GLY 11 HA2 GLY 11 27.813 2.551 -0.812 97 HA3 GLY 11 HA1 GLY 11 28.099 4.288 -0.691 98 H LEU 12 HN LEU 12 29.719 3.442 1.830 99 HA LEU 12 HA LEU 12 32.231 3.049 0.368 100 HB2 LEU 12 HB2 LEU 12 31.891 5.041 1.933 101 HB3 LEU 12 HB1 LEU 12 31.946 3.874 3.255 102 HG LEU 12 HG LEU 12 34.143 3.086 1.921 103 HD11 LEU 12 HD11 LEU 12 34.241 6.074 1.546 104 HD12 LEU 12 HD12 LEU 12 33.610 5.032 0.271 105 HD13 LEU 12 HD13 LEU 12 35.272 4.837 0.828 106 HD21 LEU 12 HD21 LEU 12 35.430 4.556 3.485 107 HD22 LEU 12 HD22 LEU 12 34.097 3.716 4.279 108 HD23 LEU 12 HD23 LEU 12 33.936 5.419 3.852 109 H VAL 13 HN VAL 13 30.107 1.630 2.739 110 HA VAL 13 HA VAL 13 32.039 -0.585 3.131 111 HB VAL 13 HB VAL 13 29.770 0.293 4.936 112 HG11 VAL 13 HG11 VAL 13 30.936 -1.379 6.489 113 HG12 VAL 13 HG12 VAL 13 31.769 -1.973 5.052 114 HG13 VAL 13 HG13 VAL 13 30.011 -2.070 5.154 115 HG21 VAL 13 HG21 VAL 13 31.384 1.265 6.318 116 HG22 VAL 13 HG22 VAL 13 32.038 1.634 4.722 117 HG23 VAL 13 HG23 VAL 13 32.690 0.284 5.651 118 H ALA 14 HN ALA 14 28.518 0.039 3.034 119 HA ALA 14 HA ALA 14 27.556 -2.499 2.743 120 HB1 ALA 14 HB1 ALA 14 26.680 -0.042 1.204 121 HB2 ALA 14 HB2 ALA 14 26.079 -0.559 2.779 122 HB3 ALA 14 HB3 ALA 14 25.742 -1.528 1.345 123 H LEU 15 HN LEU 15 28.854 -0.455 0.127 124 HA LEU 15 HA LEU 15 28.526 -2.386 -1.917 125 HB2 LEU 15 HB2 LEU 15 28.914 0.035 -2.347 126 HB3 LEU 15 HB1 LEU 15 30.562 -0.144 -1.747 127 HG LEU 15 HG LEU 15 31.015 -1.820 -3.524 128 HD11 LEU 15 HD11 LEU 15 29.151 -1.628 -5.431 129 HD12 LEU 15 HD12 LEU 15 28.106 -1.359 -4.037 130 HD13 LEU 15 HD13 LEU 15 29.045 -2.847 -4.159 131 HD21 LEU 15 HD21 LEU 15 30.157 0.128 -5.379 132 HD22 LEU 15 HD22 LEU 15 31.743 0.010 -4.615 133 HD23 LEU 15 HD23 LEU 15 30.480 0.998 -3.879 134 H LEU 16 HN LEU 16 30.982 -1.809 0.492 135 HA LEU 16 HA LEU 16 32.753 -3.832 -0.668 136 HB2 LEU 16 HB2 LEU 16 33.218 -2.263 1.864 137 HB3 LEU 16 HB1 LEU 16 34.413 -3.051 0.833 138 HG LEU 16 HG LEU 16 32.727 -0.634 0.129 139 HD11 LEU 16 HD11 LEU 16 35.735 -0.858 0.139 140 HD12 LEU 16 HD12 LEU 16 34.850 -0.465 1.613 141 HD13 LEU 16 HD13 LEU 16 34.739 0.596 0.209 142 HD21 LEU 16 HD21 LEU 16 34.268 -0.743 -1.963 143 HD22 LEU 16 HD22 LEU 16 32.884 -1.834 -1.894 144 HD23 LEU 16 HD23 LEU 16 34.500 -2.434 -1.518 145 H THR 17 HN THR 17 30.065 -3.927 1.120 146 HA THR 17 HA THR 17 30.999 -6.230 2.721 147 HB THR 17 HB THR 17 29.197 -3.965 3.466 148 HG1 THR 17 HG1 THR 17 31.538 -4.567 4.096 149 HG21 THR 17 HG21 THR 17 28.501 -5.510 5.424 150 HG22 THR 17 HG22 THR 17 28.965 -6.834 4.358 151 HG23 THR 17 HG23 THR 17 27.680 -5.725 3.879 152 H PHE 18 HN PHE 18 27.977 -4.754 1.524 153 HA PHE 18 HA PHE 18 26.284 -6.865 1.497 154 HB2 PHE 18 HB2 PHE 18 26.021 -4.450 0.520 155 HB3 PHE 18 HB1 PHE 18 26.473 -5.217 -1.003 156 HD1 PHE 18 HD2 PHE 18 24.088 -5.480 1.861 157 HD2 PHE 18 HD1 PHE 18 24.891 -6.457 -2.244 158 HE1 PHE 18 HE2 PHE 18 21.777 -6.348 1.615 159 HE2 PHE 18 HE1 PHE 18 22.581 -7.326 -2.489 160 HZ PHE 18 HZ PHE 18 21.025 -7.271 -0.560 161 H LEU 19 HN LEU 19 28.777 -6.218 -0.952 162 HA LEU 19 HA LEU 19 28.174 -8.565 -2.495 163 HB2 LEU 19 HB2 LEU 19 30.415 -6.557 -2.473 164 HB3 LEU 19 HB1 LEU 19 30.526 -8.010 -3.462 165 HG LEU 19 HG LEU 19 29.565 -6.000 -4.661 166 HD11 LEU 19 HD11 LEU 19 27.250 -7.768 -4.728 167 HD12 LEU 19 HD12 LEU 19 28.756 -8.684 -4.758 168 HD13 LEU 19 HD13 LEU 19 28.449 -7.453 -5.981 169 HD21 LEU 19 HD21 LEU 19 28.304 -5.266 -2.554 170 HD22 LEU 19 HD22 LEU 19 27.120 -6.507 -2.959 171 HD23 LEU 19 HD23 LEU 19 27.411 -5.170 -4.072 172 H ALA 20 HN ALA 20 30.985 -7.684 -0.467 173 HA ALA 20 HA ALA 20 32.417 -9.987 -0.470 174 HB1 ALA 20 HB1 ALA 20 33.515 -8.861 1.120 175 HB2 ALA 20 HB2 ALA 20 32.224 -9.219 2.266 176 HB3 ALA 20 HB3 ALA 20 32.151 -7.756 1.284 177 H PHE 21 HN PHE 21 29.755 -9.357 1.833 178 HA PHE 21 HA PHE 21 29.705 -12.081 2.743 179 HB2 PHE 21 HB2 PHE 21 27.844 -9.733 3.142 180 HB3 PHE 21 HB1 PHE 21 27.551 -11.319 3.853 181 HD1 PHE 21 HD1 PHE 21 30.252 -8.738 3.526 182 HD2 PHE 21 HD2 PHE 21 28.490 -11.827 5.937 183 HE1 PHE 21 HE1 PHE 21 31.830 -8.206 5.364 184 HE2 PHE 21 HE2 PHE 21 30.068 -11.294 7.773 185 HZ PHE 21 HZ PHE 21 31.739 -9.484 7.487 186 H GLY 22 HN GLY 22 27.557 -10.091 0.720 187 HA2 GLY 22 HA2 GLY 22 25.545 -11.824 0.115 188 HA3 GLY 22 HA1 GLY 22 26.218 -10.699 -1.058 189 H PHE 23 HN PHE 23 28.579 -11.549 -1.756 190 HA PHE 23 HA PHE 23 28.318 -13.522 -3.581 191 HB2 PHE 23 HB2 PHE 23 30.527 -12.213 -2.318 192 HB3 PHE 23 HB1 PHE 23 30.902 -13.928 -2.463 193 HD1 PHE 23 HD2 PHE 23 29.913 -14.940 -4.832 194 HD2 PHE 23 HD1 PHE 23 31.244 -10.918 -4.121 195 HE1 PHE 23 HE2 PHE 23 30.342 -14.652 -7.258 196 HE2 PHE 23 HE1 PHE 23 31.674 -10.631 -6.546 197 HZ PHE 23 HZ PHE 23 31.223 -12.498 -8.115 198 H TRP 24 HN TRP 24 29.914 -14.207 -0.464 199 HA TRP 24 HA TRP 24 29.786 -16.989 -0.650 200 HB2 TRP 24 HB2 TRP 24 31.210 -16.107 1.010 201 HB3 TRP 24 HB1 TRP 24 29.923 -15.118 1.705 202 HD1 TRP 24 HD1 TRP 24 30.539 -18.891 1.075 203 HE1 TRP 24 HE1 TRP 24 29.646 -20.197 3.112 204 HE3 TRP 24 HE3 TRP 24 28.719 -15.031 3.856 205 HZ2 TRP 24 HZ2 TRP 24 28.334 -19.668 5.592 206 HZ3 TRP 24 HZ3 TRP 24 27.650 -15.454 6.056 207 HH2 TRP 24 HH2 TRP 24 27.456 -17.767 6.926 208 H LEU 25 HN LEU 25 27.760 -15.008 1.493 209 HA LEU 25 HA LEU 25 25.910 -16.499 2.529 210 HB2 LEU 25 HB2 LEU 25 25.615 -13.958 1.037 211 HB3 LEU 25 HB1 LEU 25 24.127 -14.803 1.461 212 HG LEU 25 HG LEU 25 26.288 -14.404 3.504 213 HD11 LEU 25 HD11 LEU 25 25.178 -12.316 4.201 214 HD12 LEU 25 HD12 LEU 25 24.071 -12.445 2.835 215 HD13 LEU 25 HD13 LEU 25 25.791 -12.177 2.554 216 HD21 LEU 25 HD21 LEU 25 24.697 -15.097 4.992 217 HD22 LEU 25 HD22 LEU 25 23.941 -15.797 3.563 218 HD23 LEU 25 HD23 LEU 25 23.406 -14.228 4.163 219 H PHE 26 HN PHE 26 25.273 -15.498 -0.841 220 HA PHE 26 HA PHE 26 23.253 -17.466 -1.186 221 HB2 PHE 26 HB2 PHE 26 24.758 -16.208 -3.460 222 HB3 PHE 26 HB1 PHE 26 23.068 -16.702 -3.398 223 HD1 PHE 26 HD1 PHE 26 21.701 -15.563 -1.387 224 HD2 PHE 26 HD2 PHE 26 25.210 -13.934 -3.256 225 HE1 PHE 26 HE1 PHE 26 21.055 -13.299 -0.621 226 HE2 PHE 26 HE2 PHE 26 24.562 -11.665 -2.485 227 HZ PHE 26 HZ PHE 26 22.485 -11.347 -1.168 228 H LYS 27 HN LYS 27 26.501 -17.228 -2.644 229 HA LYS 27 HA LYS 27 26.446 -19.764 -3.857 230 HB2 LYS 27 HB2 LYS 27 28.650 -17.870 -3.089 231 HB3 LYS 27 HB1 LYS 27 29.021 -19.452 -3.770 232 HG2 LYS 27 HG2 LYS 27 28.846 -17.596 -5.477 233 HG3 LYS 27 HG1 LYS 27 27.779 -18.964 -5.779 234 HD2 LYS 27 HD2 LYS 27 25.878 -17.768 -4.936 235 HD3 LYS 27 HD1 LYS 27 26.899 -16.485 -4.295 236 HE2 LYS 27 HE2 LYS 27 25.865 -15.754 -6.391 237 HE3 LYS 27 HE1 LYS 27 27.610 -15.918 -6.603 238 HZ1 LYS 27 HZ1 LYS 27 27.373 -17.689 -7.954 239 HZ2 LYS 27 HZ2 LYS 27 25.847 -17.005 -8.248 240 HZ3 LYS 27 HZ3 LYS 27 26.008 -18.285 -7.143 241 H TYR 28 HN TYR 28 25.816 -19.650 -0.854 242 HA TYR 28 HA TYR 28 27.333 -22.056 -0.183 243 HB2 TYR 28 HB2 TYR 28 28.684 -20.949 1.235 244 HB3 TYR 28 HB1 TYR 28 27.745 -19.465 1.091 245 HD1 TYR 28 HD2 TYR 28 27.536 -22.883 2.603 246 HD2 TYR 28 HD1 TYR 28 26.498 -18.728 2.924 247 HE1 TYR 28 HE2 TYR 28 26.525 -23.306 4.831 248 HE2 TYR 28 HE1 TYR 28 25.485 -19.152 5.149 249 HH TYR 28 HH TYR 28 25.360 -20.662 6.853 250 H LEU 29 HN LEU 29 24.912 -19.706 0.976 251 HA LEU 29 HA LEU 29 23.453 -21.790 2.375 252 HB2 LEU 29 HB2 LEU 29 23.730 -19.155 2.873 253 HB3 LEU 29 HB1 LEU 29 22.222 -19.124 1.959 254 HG LEU 29 HG LEU 29 22.778 -20.836 4.398 255 HD11 LEU 29 HD11 LEU 29 21.089 -18.361 3.951 256 HD12 LEU 29 HD12 LEU 29 22.460 -18.534 5.048 257 HD13 LEU 29 HD13 LEU 29 20.953 -19.390 5.378 258 HD21 LEU 29 HD21 LEU 29 20.174 -21.088 4.117 259 HD22 LEU 29 HD22 LEU 29 21.252 -22.097 3.154 260 HD23 LEU 29 HD23 LEU 29 20.506 -20.669 2.437 261 H GLN 30 HN GLN 30 23.084 -19.811 -0.520 262 HA GLN 30 HA GLN 30 20.514 -21.009 -1.167 263 HB2 GLN 30 HB2 GLN 30 20.754 -18.707 -1.758 264 HB3 GLN 30 HB1 GLN 30 22.284 -19.008 -2.574 265 HG2 GLN 30 HG2 GLN 30 21.276 -20.048 -4.394 266 HG3 GLN 30 HG1 GLN 30 19.805 -20.420 -3.493 267 HE21 GLN 30 HE21 GLN 30 20.875 -17.218 -2.871 268 HE22 GLN 30 HE22 GLN 30 19.828 -16.421 -3.939 269 H LYS 31 HN LYS 31 23.680 -21.955 -1.410 270 HA LYS 31 HA LYS 31 23.127 -23.664 -3.764 271 HB2 LYS 31 HB2 LYS 31 25.523 -22.092 -2.986 272 HB3 LYS 31 HB1 LYS 31 25.818 -23.701 -3.642 273 HG2 LYS 31 HG2 LYS 31 25.770 -21.990 -5.430 274 HG3 LYS 31 HG1 LYS 31 24.466 -23.163 -5.621 275 HD2 LYS 31 HD2 LYS 31 22.833 -21.641 -5.113 276 HD3 LYS 31 HD1 LYS 31 23.853 -20.766 -3.971 277 HE2 LYS 31 HE2 LYS 31 25.115 -19.783 -5.852 278 HE3 LYS 31 HE1 LYS 31 24.102 -20.665 -6.995 279 HZ1 LYS 31 HZ1 LYS 31 22.188 -19.478 -6.241 280 HZ2 LYS 31 HZ2 LYS 31 23.394 -18.344 -6.626 281 HZ3 LYS 31 HZ3 LYS 31 23.068 -18.724 -5.002 282 H LYS 32 HN LYS 32 22.174 -25.179 -2.228 283 HA LYS 32 HA LYS 32 24.209 -26.970 -1.160 284 HB2 LYS 32 HB2 LYS 32 22.687 -27.124 0.984 285 HB3 LYS 32 HB1 LYS 32 23.938 -25.886 0.865 286 HG2 LYS 32 HG2 LYS 32 21.763 -24.954 1.634 287 HG3 LYS 32 HG1 LYS 32 22.286 -24.246 0.107 288 HD2 LYS 32 HD2 LYS 32 20.733 -25.528 -1.148 289 HD3 LYS 32 HD1 LYS 32 20.453 -26.644 0.190 290 HE2 LYS 32 HE2 LYS 32 18.917 -25.283 1.160 291 HE3 LYS 32 HE1 LYS 32 19.864 -23.832 0.837 292 HZ1 LYS 32 HZ1 LYS 32 18.073 -25.275 -1.031 293 HZ2 LYS 32 HZ2 LYS 32 19.165 -24.075 -1.536 294 HZ3 LYS 32 HZ3 LYS 32 17.911 -23.687 -0.457 Start of MODEL 19 1 H1 LYS 1 HT1 LYS 1 19.524 18.922 -2.254 2 H2 LYS 1 HT2 LYS 1 20.697 18.073 -3.143 3 H3 LYS 1 HT3 LYS 1 21.135 19.450 -2.249 4 HA LYS 1 HA LYS 1 21.666 18.132 -0.570 5 HB2 LYS 1 HB2 LYS 1 19.383 18.810 0.138 6 HB3 LYS 1 HB1 LYS 1 18.730 17.370 -0.644 7 HG2 LYS 1 HG2 LYS 1 19.911 15.915 0.854 8 HG3 LYS 1 HG1 LYS 1 20.864 17.251 1.499 9 HD2 LYS 1 HD2 LYS 1 19.250 17.804 2.973 10 HD3 LYS 1 HD1 LYS 1 18.005 17.766 1.723 11 HE2 LYS 1 HE2 LYS 1 19.137 15.335 3.142 12 HE3 LYS 1 HE1 LYS 1 17.569 16.072 3.472 13 HZ1 LYS 1 HZ1 LYS 1 16.742 14.822 1.860 14 HZ2 LYS 1 HZ2 LYS 1 18.282 14.244 1.433 15 HZ3 LYS 1 HZ3 LYS 1 17.685 15.675 0.739 16 H LYS 2 HN LYS 2 22.143 15.961 0.092 17 HA LYS 2 HA LYS 2 22.017 14.060 -2.146 18 HB2 LYS 2 HB2 LYS 2 24.193 14.733 -0.899 19 HB3 LYS 2 HB1 LYS 2 23.609 13.665 0.376 20 HG2 LYS 2 HG2 LYS 2 23.219 12.080 -1.800 21 HG3 LYS 2 HG1 LYS 2 24.634 12.997 -2.320 22 HD2 LYS 2 HD2 LYS 2 24.373 11.431 0.265 23 HD3 LYS 2 HD1 LYS 2 25.345 10.973 -1.134 24 HE2 LYS 2 HE2 LYS 2 27.005 12.039 0.027 25 HE3 LYS 2 HE1 LYS 2 26.295 13.475 -0.710 26 HZ1 LYS 2 HZ1 LYS 2 25.246 12.452 1.842 27 HZ2 LYS 2 HZ2 LYS 2 25.194 14.030 1.217 28 HZ3 LYS 2 HZ3 LYS 2 26.650 13.402 1.829 29 H HIS 3 HN HIS 3 22.667 11.938 -0.065 30 HA HIS 3 HA HIS 3 19.870 11.271 0.548 31 HB2 HIS 3 HB2 HIS 3 21.097 9.598 -0.728 32 HB3 HIS 3 HB1 HIS 3 22.366 9.558 0.494 33 HD2 HIS 3 HD2 HIS 3 21.607 6.790 1.005 34 HE1 HIS 3 HE1 HIS 3 17.989 7.813 2.920 35 HE2 HIS 3 HE2 HIS 3 19.617 5.923 2.457 36 H THR 4 HN THR 4 22.614 9.926 2.244 37 HA THR 4 HA THR 4 22.146 11.537 4.625 38 HB THR 4 HB THR 4 20.447 9.794 4.871 39 HG1 THR 4 HG1 THR 4 21.377 8.815 6.803 40 HG21 THR 4 HG21 THR 4 20.796 7.725 4.082 41 HG22 THR 4 HG22 THR 4 22.116 7.491 5.220 42 HG23 THR 4 HG23 THR 4 22.435 8.181 3.627 43 H ILE 5 HN ILE 5 23.332 8.727 5.721 44 HA ILE 5 HA ILE 5 26.120 9.601 5.338 45 HB ILE 5 HB ILE 5 26.478 8.007 7.333 46 HG12 ILE 5 HG12 ILE 5 23.709 8.538 8.178 47 HG13 ILE 5 HG11 ILE 5 23.838 7.383 6.853 48 HG21 ILE 5 HG21 ILE 5 25.221 9.883 8.816 49 HG22 ILE 5 HG22 ILE 5 25.228 10.703 7.254 50 HG23 ILE 5 HG23 ILE 5 26.749 10.187 7.987 51 HD11 ILE 5 HD11 ILE 5 25.559 7.175 9.322 52 HD12 ILE 5 HD12 ILE 5 25.243 5.937 8.106 53 HD13 ILE 5 HD13 ILE 5 23.969 6.419 9.226 54 H TRP 6 HN TRP 6 23.871 7.036 4.739 55 HA TRP 6 HA TRP 6 25.371 4.778 4.452 56 HB2 TRP 6 HB2 TRP 6 22.943 5.809 3.283 57 HB3 TRP 6 HB1 TRP 6 23.859 4.901 2.079 58 HD1 TRP 6 HD1 TRP 6 22.701 2.620 2.043 59 HE1 TRP 6 HE1 TRP 6 22.161 0.816 3.797 60 HE3 TRP 6 HE3 TRP 6 23.988 5.124 6.294 61 HZ2 TRP 6 HZ2 TRP 6 22.263 0.480 6.631 62 HZ3 TRP 6 HZ3 TRP 6 23.757 4.043 8.511 63 HH2 TRP 6 HH2 TRP 6 22.897 1.722 8.686 64 H GLU 7 HN GLU 7 24.875 7.053 1.741 65 HA GLU 7 HA GLU 7 26.775 5.998 0.021 66 HB2 GLU 7 HB2 GLU 7 25.334 8.524 0.306 67 HB3 GLU 7 HB1 GLU 7 26.905 8.707 -0.474 68 HG2 GLU 7 HG2 GLU 7 24.903 6.593 -1.294 69 HG3 GLU 7 HG1 GLU 7 24.965 8.189 -2.038 70 H VAL 8 HN VAL 8 27.349 7.372 3.034 71 HA VAL 8 HA VAL 8 30.085 8.196 2.316 72 HB VAL 8 HB VAL 8 28.818 8.616 5.013 73 HG11 VAL 8 HG11 VAL 8 30.771 10.372 3.542 74 HG12 VAL 8 HG12 VAL 8 31.326 8.948 4.421 75 HG13 VAL 8 HG13 VAL 8 30.492 10.243 5.278 76 HG21 VAL 8 HG21 VAL 8 28.088 10.835 4.198 77 HG22 VAL 8 HG22 VAL 8 27.275 9.546 3.311 78 HG23 VAL 8 HG23 VAL 8 28.622 10.412 2.570 79 H ILE 9 HN ILE 9 28.259 6.014 4.417 80 HA ILE 9 HA ILE 9 30.785 4.671 5.131 81 HB ILE 9 HB ILE 9 29.943 5.297 7.171 82 HG12 ILE 9 HG12 ILE 9 29.787 2.624 6.728 83 HG13 ILE 9 HG11 ILE 9 29.449 3.371 8.274 84 HG21 ILE 9 HG21 ILE 9 28.023 6.475 6.503 85 HG22 ILE 9 HG22 ILE 9 27.457 5.296 7.678 86 HG23 ILE 9 HG23 ILE 9 27.206 5.014 5.953 87 HD11 ILE 9 HD11 ILE 9 27.694 1.717 7.403 88 HD12 ILE 9 HD12 ILE 9 27.260 2.955 6.233 89 HD13 ILE 9 HD13 ILE 9 27.102 3.281 7.954 90 H ALA 10 HN ALA 10 27.391 4.147 4.245 91 HA ALA 10 HA ALA 10 27.674 1.324 3.887 92 HB1 ALA 10 HB1 ALA 10 25.493 2.447 4.277 93 HB2 ALA 10 HB2 ALA 10 25.486 1.443 2.829 94 HB3 ALA 10 HB3 ALA 10 25.620 3.196 2.685 95 H GLY 11 HN GLY 11 27.024 3.821 1.410 96 HA2 GLY 11 HA2 GLY 11 27.681 2.314 -0.819 97 HA3 GLY 11 HA1 GLY 11 27.861 4.066 -0.729 98 H LEU 12 HN LEU 12 29.654 3.372 1.715 99 HA LEU 12 HA LEU 12 32.111 3.109 0.132 100 HB2 LEU 12 HB2 LEU 12 31.712 5.100 1.693 101 HB3 LEU 12 HB1 LEU 12 31.933 3.958 3.019 102 HG LEU 12 HG LEU 12 34.095 3.305 1.581 103 HD11 LEU 12 HD11 LEU 12 35.007 5.064 0.330 104 HD12 LEU 12 HD12 LEU 12 33.987 6.274 1.107 105 HD13 LEU 12 HD13 LEU 12 33.296 5.168 -0.081 106 HD21 LEU 12 HD21 LEU 12 33.829 5.687 3.443 107 HD22 LEU 12 HD22 LEU 12 35.361 4.933 3.006 108 HD23 LEU 12 HD23 LEU 12 34.155 4.018 3.912 109 H VAL 13 HN VAL 13 30.196 1.589 2.613 110 HA VAL 13 HA VAL 13 32.277 -0.495 2.930 111 HB VAL 13 HB VAL 13 30.084 0.271 4.872 112 HG11 VAL 13 HG11 VAL 13 30.527 -2.066 5.098 113 HG12 VAL 13 HG12 VAL 13 31.458 -1.275 6.372 114 HG13 VAL 13 HG13 VAL 13 32.263 -1.826 4.902 115 HG21 VAL 13 HG21 VAL 13 32.240 1.766 4.477 116 HG22 VAL 13 HG22 VAL 13 33.030 0.494 5.410 117 HG23 VAL 13 HG23 VAL 13 31.697 1.406 6.116 118 H ALA 14 HN ALA 14 28.729 -0.072 3.081 119 HA ALA 14 HA ALA 14 27.904 -2.669 2.893 120 HB1 ALA 14 HB1 ALA 14 25.906 -1.861 1.738 121 HB2 ALA 14 HB2 ALA 14 26.732 -0.361 1.319 122 HB3 ALA 14 HB3 ALA 14 26.371 -0.727 3.006 123 H LEU 15 HN LEU 15 29.043 -0.616 0.227 124 HA LEU 15 HA LEU 15 28.606 -2.575 -1.797 125 HB2 LEU 15 HB2 LEU 15 28.856 -0.139 -2.264 126 HB3 LEU 15 HB1 LEU 15 30.552 -0.250 -1.797 127 HG LEU 15 HG LEU 15 30.920 -1.932 -3.590 128 HD11 LEU 15 HD11 LEU 15 27.967 -1.564 -3.881 129 HD12 LEU 15 HD12 LEU 15 28.942 -3.021 -4.075 130 HD13 LEU 15 HD13 LEU 15 28.910 -1.805 -5.353 131 HD21 LEU 15 HD21 LEU 15 29.618 0.635 -4.550 132 HD22 LEU 15 HD22 LEU 15 30.743 -0.359 -5.475 133 HD23 LEU 15 HD23 LEU 15 31.293 0.478 -4.024 134 H LEU 16 HN LEU 16 31.212 -1.828 0.408 135 HA LEU 16 HA LEU 16 33.001 -3.771 -0.842 136 HB2 LEU 16 HB2 LEU 16 33.502 -2.215 1.692 137 HB3 LEU 16 HB1 LEU 16 34.688 -2.933 0.600 138 HG LEU 16 HG LEU 16 32.857 -0.597 -0.009 139 HD11 LEU 16 HD11 LEU 16 34.834 0.727 -0.027 140 HD12 LEU 16 HD12 LEU 16 35.878 -0.694 -0.039 141 HD13 LEU 16 HD13 LEU 16 34.973 -0.275 1.417 142 HD21 LEU 16 HD21 LEU 16 33.015 -1.750 -2.055 143 HD22 LEU 16 HD22 LEU 16 34.663 -2.287 -1.731 144 HD23 LEU 16 HD23 LEU 16 34.351 -0.601 -2.144 145 H THR 17 HN THR 17 30.436 -3.909 1.181 146 HA THR 17 HA THR 17 31.522 -6.216 2.679 147 HB THR 17 HB THR 17 29.705 -3.999 3.500 148 HG1 THR 17 HG1 THR 17 32.070 -4.782 4.097 149 HG21 THR 17 HG21 THR 17 28.191 -5.777 3.903 150 HG22 THR 17 HG22 THR 17 29.016 -5.548 5.442 151 HG23 THR 17 HG23 THR 17 29.484 -6.876 4.384 152 H PHE 18 HN PHE 18 28.366 -4.887 1.668 153 HA PHE 18 HA PHE 18 26.864 -7.171 1.662 154 HB2 PHE 18 HB2 PHE 18 26.256 -4.725 0.985 155 HB3 PHE 18 HB1 PHE 18 26.636 -5.268 -0.652 156 HD1 PHE 18 HD2 PHE 18 24.424 -5.776 2.269 157 HD2 PHE 18 HD1 PHE 18 25.239 -6.872 -1.803 158 HE1 PHE 18 HE2 PHE 18 22.208 -6.876 2.120 159 HE2 PHE 18 HE1 PHE 18 23.024 -7.973 -1.952 160 HZ PHE 18 HZ PHE 18 21.505 -7.976 0.011 161 H LEU 19 HN LEU 19 29.100 -6.087 -0.866 162 HA LEU 19 HA LEU 19 28.502 -8.273 -2.636 163 HB2 LEU 19 HB2 LEU 19 30.610 -6.127 -2.558 164 HB3 LEU 19 HB1 LEU 19 30.707 -7.440 -3.727 165 HG LEU 19 HG LEU 19 29.523 -5.375 -4.576 166 HD11 LEU 19 HD11 LEU 19 28.344 -6.723 -5.954 167 HD12 LEU 19 HD12 LEU 19 27.314 -7.280 -4.636 168 HD13 LEU 19 HD13 LEU 19 28.861 -8.068 -4.938 169 HD21 LEU 19 HD21 LEU 19 27.404 -4.753 -3.693 170 HD22 LEU 19 HD22 LEU 19 28.440 -4.978 -2.284 171 HD23 LEU 19 HD23 LEU 19 27.284 -6.230 -2.738 172 H ALA 20 HN ALA 20 30.456 -7.898 0.140 173 HA ALA 20 HA ALA 20 32.244 -10.100 -0.585 174 HB1 ALA 20 HB1 ALA 20 33.655 -9.129 0.864 175 HB2 ALA 20 HB2 ALA 20 32.471 -9.256 2.164 176 HB3 ALA 20 HB3 ALA 20 32.467 -7.848 1.102 177 H PHE 21 HN PHE 21 29.834 -9.304 1.905 178 HA PHE 21 HA PHE 21 29.801 -11.972 2.980 179 HB2 PHE 21 HB2 PHE 21 28.091 -9.520 3.413 180 HB3 PHE 21 HB1 PHE 21 27.758 -11.060 4.206 181 HD1 PHE 21 HD2 PHE 21 30.642 -8.747 3.546 182 HD2 PHE 21 HD1 PHE 21 28.741 -11.454 6.289 183 HE1 PHE 21 HE2 PHE 21 32.374 -8.243 5.245 184 HE2 PHE 21 HE1 PHE 21 30.473 -10.947 7.988 185 HZ PHE 21 HZ PHE 21 32.289 -9.341 7.466 186 H GLY 22 HN GLY 22 27.684 -9.991 0.936 187 HA2 GLY 22 HA2 GLY 22 25.564 -11.765 0.598 188 HA3 GLY 22 HA1 GLY 22 26.080 -10.587 -0.607 189 H PHE 23 HN PHE 23 28.581 -11.456 -1.267 190 HA PHE 23 HA PHE 23 28.229 -13.314 -3.238 191 HB2 PHE 23 HB2 PHE 23 30.463 -12.084 -1.961 192 HB3 PHE 23 HB1 PHE 23 30.817 -13.799 -2.150 193 HD1 PHE 23 HD1 PHE 23 29.202 -11.023 -4.093 194 HD2 PHE 23 HD2 PHE 23 31.759 -14.476 -4.174 195 HE1 PHE 23 HE1 PHE 23 29.586 -10.682 -6.517 196 HE2 PHE 23 HE2 PHE 23 32.143 -14.132 -6.598 197 HZ PHE 23 HZ PHE 23 31.054 -12.240 -7.771 198 H TRP 24 HN TRP 24 29.932 -14.160 -0.230 199 HA TRP 24 HA TRP 24 29.752 -16.917 -0.489 200 HB2 TRP 24 HB2 TRP 24 31.213 -16.092 1.178 201 HB3 TRP 24 HB1 TRP 24 29.937 -15.143 1.941 202 HD1 TRP 24 HD1 TRP 24 30.649 -18.866 1.167 203 HE1 TRP 24 HE1 TRP 24 29.751 -20.281 3.128 204 HE3 TRP 24 HE3 TRP 24 28.632 -15.181 4.049 205 HZ2 TRP 24 HZ2 TRP 24 28.361 -19.893 5.593 206 HZ3 TRP 24 HZ3 TRP 24 27.524 -15.726 6.201 207 HH2 TRP 24 HH2 TRP 24 27.389 -18.077 6.976 208 H LEU 25 HN LEU 25 27.793 -15.011 1.788 209 HA LEU 25 HA LEU 25 25.951 -16.594 2.754 210 HB2 LEU 25 HB2 LEU 25 25.664 -13.911 1.525 211 HB3 LEU 25 HB1 LEU 25 24.170 -14.776 1.889 212 HG LEU 25 HG LEU 25 26.355 -14.644 3.936 213 HD11 LEU 25 HD11 LEU 25 24.240 -12.525 3.454 214 HD12 LEU 25 HD12 LEU 25 25.976 -12.315 3.223 215 HD13 LEU 25 HD13 LEU 25 25.328 -12.585 4.841 216 HD21 LEU 25 HD21 LEU 25 24.710 -15.334 5.388 217 HD22 LEU 25 HD22 LEU 25 24.006 -15.969 3.901 218 HD23 LEU 25 HD23 LEU 25 23.450 -14.427 4.551 219 H PHE 26 HN PHE 26 25.109 -15.205 -0.419 220 HA PHE 26 HA PHE 26 23.139 -17.162 -0.916 221 HB2 PHE 26 HB2 PHE 26 24.548 -15.582 -3.058 222 HB3 PHE 26 HB1 PHE 26 22.879 -16.155 -3.039 223 HD1 PHE 26 HD2 PHE 26 21.647 -15.401 -0.672 224 HD2 PHE 26 HD1 PHE 26 24.752 -13.279 -2.750 225 HE1 PHE 26 HE2 PHE 26 20.929 -13.294 0.409 226 HE2 PHE 26 HE1 PHE 26 24.031 -11.169 -1.666 227 HZ PHE 26 HZ PHE 26 22.121 -11.175 -0.087 228 H LYS 27 HN LYS 27 26.423 -16.782 -2.265 229 HA LYS 27 HA LYS 27 26.312 -19.145 -3.821 230 HB2 LYS 27 HB2 LYS 27 28.710 -17.647 -2.742 231 HB3 LYS 27 HB1 LYS 27 28.763 -18.887 -3.995 232 HG2 LYS 27 HG2 LYS 27 27.365 -17.551 -5.461 233 HG3 LYS 27 HG1 LYS 27 27.115 -16.350 -4.194 234 HD2 LYS 27 HD2 LYS 27 29.199 -15.437 -4.454 235 HD3 LYS 27 HD1 LYS 27 29.934 -16.979 -4.896 236 HE2 LYS 27 HE2 LYS 27 29.628 -15.136 -6.739 237 HE3 LYS 27 HE1 LYS 27 29.254 -16.815 -7.129 238 HZ1 LYS 27 HZ1 LYS 27 27.563 -14.844 -7.569 239 HZ2 LYS 27 HZ2 LYS 27 27.108 -15.216 -5.977 240 HZ3 LYS 27 HZ3 LYS 27 27.045 -16.410 -7.183 241 H TYR 28 HN TYR 28 25.623 -19.406 -0.872 242 HA TYR 28 HA TYR 28 27.085 -21.891 -0.469 243 HB2 TYR 28 HB2 TYR 28 28.503 -21.012 1.033 244 HB3 TYR 28 HB1 TYR 28 27.630 -19.486 1.076 245 HD1 TYR 28 HD2 TYR 28 27.206 -23.042 2.183 246 HD2 TYR 28 HD1 TYR 28 26.564 -18.885 3.056 247 HE1 TYR 28 HE2 TYR 28 26.250 -23.654 4.390 248 HE2 TYR 28 HE1 TYR 28 25.605 -19.497 5.262 249 HH TYR 28 HH TYR 28 24.898 -21.178 6.555 250 H LEU 29 HN LEU 29 24.690 -19.619 0.899 251 HA LEU 29 HA LEU 29 23.217 -21.841 2.083 252 HB2 LEU 29 HB2 LEU 29 23.432 -19.047 2.584 253 HB3 LEU 29 HB1 LEU 29 21.747 -19.396 2.199 254 HG LEU 29 HG LEU 29 23.405 -20.923 4.226 255 HD11 LEU 29 HD11 LEU 29 23.032 -19.042 5.461 256 HD12 LEU 29 HD12 LEU 29 21.406 -19.704 5.624 257 HD13 LEU 29 HD13 LEU 29 21.741 -18.481 4.399 258 HD21 LEU 29 HD21 LEU 29 21.733 -22.433 4.144 259 HD22 LEU 29 HD22 LEU 29 20.943 -21.497 2.876 260 HD23 LEU 29 HD23 LEU 29 20.579 -21.169 4.569 261 H GLN 30 HN GLN 30 22.909 -19.567 -0.590 262 HA GLN 30 HA GLN 30 20.277 -20.587 -1.318 263 HB2 GLN 30 HB2 GLN 30 20.533 -18.258 -1.667 264 HB3 GLN 30 HB1 GLN 30 22.092 -18.468 -2.452 265 HG2 GLN 30 HG2 GLN 30 21.146 -19.315 -4.419 266 HG3 GLN 30 HG1 GLN 30 19.608 -19.679 -3.629 267 HE21 GLN 30 HE21 GLN 30 20.827 -16.647 -2.609 268 HE22 GLN 30 HE22 GLN 30 19.895 -15.668 -3.636 269 H LYS 31 HN LYS 31 23.401 -21.617 -1.720 270 HA LYS 31 HA LYS 31 22.787 -22.946 -4.295 271 HB2 LYS 31 HB2 LYS 31 25.263 -21.727 -3.205 272 HB3 LYS 31 HB1 LYS 31 25.456 -23.238 -4.096 273 HG2 LYS 31 HG2 LYS 31 25.608 -21.214 -5.561 274 HG3 LYS 31 HG1 LYS 31 24.304 -22.307 -6.024 275 HD2 LYS 31 HD2 LYS 31 22.653 -20.857 -5.335 276 HD3 LYS 31 HD1 LYS 31 23.652 -20.160 -4.060 277 HE2 LYS 31 HE2 LYS 31 24.985 -18.958 -5.745 278 HE3 LYS 31 HE1 LYS 31 24.011 -19.669 -7.031 279 HZ1 LYS 31 HZ1 LYS 31 22.852 -18.050 -4.838 280 HZ2 LYS 31 HZ2 LYS 31 22.103 -18.532 -6.284 281 HZ3 LYS 31 HZ3 LYS 31 23.348 -17.378 -6.314 282 H LYS 32 HN LYS 32 22.399 -23.624 -1.264 283 HA LYS 32 HA LYS 32 23.892 -26.147 -1.162 284 HB2 LYS 32 HB2 LYS 32 23.060 -26.306 1.143 285 HB3 LYS 32 HB1 LYS 32 23.843 -24.749 0.868 286 HG2 LYS 32 HG2 LYS 32 21.944 -23.832 1.691 287 HG3 LYS 32 HG1 LYS 32 21.222 -24.248 0.135 288 HD2 LYS 32 HD2 LYS 32 20.582 -26.472 1.067 289 HD3 LYS 32 HD1 LYS 32 21.217 -25.967 2.634 290 HE2 LYS 32 HE2 LYS 32 19.482 -23.906 1.689 291 HE3 LYS 32 HE1 LYS 32 18.635 -25.444 1.523 292 HZ1 LYS 32 HZ1 LYS 32 18.597 -25.768 3.738 293 HZ2 LYS 32 HZ2 LYS 32 18.728 -24.075 3.789 294 HZ3 LYS 32 HZ3 LYS 32 20.108 -25.043 3.997 Start of MODEL 20 1 H1 LYS 1 HT1 LYS 1 22.584 14.979 -5.197 2 H2 LYS 1 HT2 LYS 1 20.996 15.319 -4.696 3 H3 LYS 1 HT3 LYS 1 21.563 13.717 -4.707 4 HA LYS 1 HA LYS 1 22.884 15.773 -3.058 5 HB2 LYS 1 HB2 LYS 1 20.492 15.812 -2.469 6 HB3 LYS 1 HB1 LYS 1 20.504 14.058 -2.286 7 HG2 LYS 1 HG2 LYS 1 21.790 14.133 -0.343 8 HG3 LYS 1 HG1 LYS 1 22.475 15.710 -0.739 9 HD2 LYS 1 HD2 LYS 1 20.472 16.848 -0.156 10 HD3 LYS 1 HD1 LYS 1 19.534 15.354 -0.150 11 HE2 LYS 1 HE2 LYS 1 20.149 16.240 2.149 12 HE3 LYS 1 HE1 LYS 1 20.629 14.572 1.838 13 HZ1 LYS 1 HZ1 LYS 1 22.327 16.996 1.800 14 HZ2 LYS 1 HZ2 LYS 1 22.828 15.526 1.110 15 HZ3 LYS 1 HZ3 LYS 1 22.492 15.617 2.774 16 H LYS 2 HN LYS 2 24.141 14.767 -1.394 17 HA LYS 2 HA LYS 2 25.233 12.212 -2.213 18 HB2 LYS 2 HB2 LYS 2 26.190 14.487 -0.831 19 HB3 LYS 2 HB1 LYS 2 26.264 13.154 0.314 20 HG2 LYS 2 HG2 LYS 2 27.374 13.002 -2.506 21 HG3 LYS 2 HG1 LYS 2 28.339 13.425 -1.096 22 HD2 LYS 2 HD2 LYS 2 26.703 10.930 -0.936 23 HD3 LYS 2 HD1 LYS 2 28.151 10.899 -1.940 24 HE2 LYS 2 HE2 LYS 2 28.076 11.796 0.955 25 HE3 LYS 2 HE1 LYS 2 28.611 10.208 0.408 26 HZ1 LYS 2 HZ1 LYS 2 30.200 11.505 -1.077 27 HZ2 LYS 2 HZ2 LYS 2 30.556 11.445 0.583 28 HZ3 LYS 2 HZ3 LYS 2 29.856 12.840 -0.089 29 H HIS 3 HN HIS 3 22.468 12.378 -1.140 30 HA HIS 3 HA HIS 3 21.088 11.321 0.367 31 HB2 HIS 3 HB2 HIS 3 22.174 9.455 -0.969 32 HB3 HIS 3 HB1 HIS 3 23.263 9.229 0.400 33 HD2 HIS 3 HD2 HIS 3 21.997 6.744 1.050 34 HE1 HIS 3 HE1 HIS 3 18.327 8.473 2.215 35 HE2 HIS 3 HE2 HIS 3 19.693 6.332 2.212 36 H THR 4 HN THR 4 21.270 9.873 2.542 37 HA THR 4 HA THR 4 22.071 11.644 4.565 38 HB THR 4 HB THR 4 20.376 9.976 4.994 39 HG1 THR 4 HG1 THR 4 22.496 10.380 6.508 40 HG21 THR 4 HG21 THR 4 20.631 7.959 4.027 41 HG22 THR 4 HG22 THR 4 21.780 7.573 5.305 42 HG23 THR 4 HG23 THR 4 22.354 8.235 3.775 43 H ILE 5 HN ILE 5 23.257 8.772 5.652 44 HA ILE 5 HA ILE 5 26.047 9.659 5.272 45 HB ILE 5 HB ILE 5 26.398 8.084 7.289 46 HG12 ILE 5 HG12 ILE 5 23.615 8.692 8.087 47 HG13 ILE 5 HG11 ILE 5 23.772 7.459 6.835 48 HG21 ILE 5 HG21 ILE 5 25.403 9.947 8.822 49 HG22 ILE 5 HG22 ILE 5 25.008 10.754 7.306 50 HG23 ILE 5 HG23 ILE 5 26.687 10.379 7.694 51 HD11 ILE 5 HD11 ILE 5 25.103 6.071 8.201 52 HD12 ILE 5 HD12 ILE 5 23.857 6.671 9.293 53 HD13 ILE 5 HD13 ILE 5 25.470 7.380 9.323 54 H TRP 6 HN TRP 6 23.784 7.145 4.641 55 HA TRP 6 HA TRP 6 25.243 4.850 4.436 56 HB2 TRP 6 HB2 TRP 6 22.865 5.906 3.208 57 HB3 TRP 6 HB1 TRP 6 23.793 4.995 2.017 58 HD1 TRP 6 HD1 TRP 6 22.625 2.727 1.939 59 HE1 TRP 6 HE1 TRP 6 22.022 0.916 3.665 60 HE3 TRP 6 HE3 TRP 6 23.820 5.193 6.239 61 HZ2 TRP 6 HZ2 TRP 6 22.045 0.562 6.498 62 HZ3 TRP 6 HZ3 TRP 6 23.521 4.096 8.442 63 HH2 TRP 6 HH2 TRP 6 22.636 1.784 8.579 64 H GLU 7 HN GLU 7 24.935 7.189 1.748 65 HA GLU 7 HA GLU 7 26.841 6.030 0.078 66 HB2 GLU 7 HB2 GLU 7 25.749 8.796 0.390 67 HB3 GLU 7 HB1 GLU 7 27.092 8.514 -0.717 68 HG2 GLU 7 HG2 GLU 7 24.611 6.800 -0.787 69 HG3 GLU 7 HG1 GLU 7 24.702 8.319 -1.676 70 H VAL 8 HN VAL 8 27.351 7.410 3.099 71 HA VAL 8 HA VAL 8 30.128 8.166 2.477 72 HB VAL 8 HB VAL 8 28.758 8.580 5.128 73 HG11 VAL 8 HG11 VAL 8 30.870 10.268 3.801 74 HG12 VAL 8 HG12 VAL 8 31.307 8.809 4.690 75 HG13 VAL 8 HG13 VAL 8 30.482 10.131 5.516 76 HG21 VAL 8 HG21 VAL 8 28.155 10.834 4.332 77 HG22 VAL 8 HG22 VAL 8 27.365 9.606 3.344 78 HG23 VAL 8 HG23 VAL 8 28.791 10.447 2.735 79 H ILE 9 HN ILE 9 28.189 6.002 4.490 80 HA ILE 9 HA ILE 9 30.658 4.594 5.277 81 HB ILE 9 HB ILE 9 29.748 5.219 7.290 82 HG12 ILE 9 HG12 ILE 9 29.559 2.552 6.808 83 HG13 ILE 9 HG11 ILE 9 29.178 3.291 8.350 84 HG21 ILE 9 HG21 ILE 9 27.244 5.261 7.695 85 HG22 ILE 9 HG22 ILE 9 27.055 4.994 5.959 86 HG23 ILE 9 HG23 ILE 9 27.876 6.438 6.551 87 HD11 ILE 9 HD11 ILE 9 27.060 2.936 6.224 88 HD12 ILE 9 HD12 ILE 9 26.842 3.249 7.940 89 HD13 ILE 9 HD13 ILE 9 27.427 1.678 7.397 90 H ALA 10 HN ALA 10 27.290 4.149 4.257 91 HA ALA 10 HA ALA 10 27.526 1.327 3.867 92 HB1 ALA 10 HB1 ALA 10 25.569 3.238 2.572 93 HB2 ALA 10 HB2 ALA 10 25.358 2.534 4.177 94 HB3 ALA 10 HB3 ALA 10 25.383 1.494 2.754 95 H GLY 11 HN GLY 11 27.022 3.867 1.398 96 HA2 GLY 11 HA2 GLY 11 27.744 2.380 -0.822 97 HA3 GLY 11 HA1 GLY 11 27.957 4.127 -0.698 98 H LEU 12 HN LEU 12 29.633 3.353 1.805 99 HA LEU 12 HA LEU 12 32.143 3.063 0.316 100 HB2 LEU 12 HB2 LEU 12 31.732 5.040 1.888 101 HB3 LEU 12 HB1 LEU 12 31.865 3.876 3.208 102 HG LEU 12 HG LEU 12 34.071 3.189 1.849 103 HD11 LEU 12 HD11 LEU 12 33.638 4.887 0.082 104 HD12 LEU 12 HD12 LEU 12 35.159 5.180 0.925 105 HD13 LEU 12 HD13 LEU 12 33.740 6.155 1.303 106 HD21 LEU 12 HD21 LEU 12 34.050 3.851 4.194 107 HD22 LEU 12 HD22 LEU 12 33.780 5.537 3.751 108 HD23 LEU 12 HD23 LEU 12 35.314 4.758 3.363 109 H VAL 13 HN VAL 13 30.105 1.552 2.703 110 HA VAL 13 HA VAL 13 32.132 -0.575 3.082 111 HB VAL 13 HB VAL 13 29.845 0.207 4.906 112 HG11 VAL 13 HG11 VAL 13 30.195 -2.151 5.100 113 HG12 VAL 13 HG12 VAL 13 31.064 -1.419 6.449 114 HG13 VAL 13 HG13 VAL 13 31.947 -1.966 5.026 115 HG21 VAL 13 HG21 VAL 13 32.765 0.315 5.604 116 HG22 VAL 13 HG22 VAL 13 31.427 1.248 6.272 117 HG23 VAL 13 HG23 VAL 13 32.060 1.636 4.673 118 H ALA 14 HN ALA 14 28.590 -0.098 3.010 119 HA ALA 14 HA ALA 14 27.730 -2.673 2.726 120 HB1 ALA 14 HB1 ALA 14 26.739 -0.277 1.161 121 HB2 ALA 14 HB2 ALA 14 26.197 -0.759 2.768 122 HB3 ALA 14 HB3 ALA 14 25.858 -1.789 1.378 123 H LEU 15 HN LEU 15 28.895 -0.572 0.092 124 HA LEU 15 HA LEU 15 28.647 -2.519 -1.944 125 HB2 LEU 15 HB2 LEU 15 28.923 -0.085 -2.380 126 HB3 LEU 15 HB1 LEU 15 30.581 -0.187 -1.789 127 HG LEU 15 HG LEU 15 31.102 -1.838 -3.568 128 HD11 LEU 15 HD11 LEU 15 29.219 -1.746 -5.463 129 HD12 LEU 15 HD12 LEU 15 28.169 -1.519 -4.063 130 HD13 LEU 15 HD13 LEU 15 29.177 -2.961 -4.186 131 HD21 LEU 15 HD21 LEU 15 30.560 0.940 -3.870 132 HD22 LEU 15 HD22 LEU 15 30.035 0.141 -5.351 133 HD23 LEU 15 HD23 LEU 15 31.696 -0.046 -4.791 134 H LEU 16 HN LEU 16 31.091 -1.835 0.449 135 HA LEU 16 HA LEU 16 32.938 -3.784 -0.726 136 HB2 LEU 16 HB2 LEU 16 33.363 -2.189 1.798 137 HB3 LEU 16 HB1 LEU 16 34.579 -2.928 0.751 138 HG LEU 16 HG LEU 16 32.782 -0.585 0.068 139 HD11 LEU 16 HD11 LEU 16 34.741 0.730 0.118 140 HD12 LEU 16 HD12 LEU 16 35.797 -0.681 0.034 141 HD13 LEU 16 HD13 LEU 16 34.919 -0.325 1.521 142 HD21 LEU 16 HD21 LEU 16 34.607 -2.308 -1.604 143 HD22 LEU 16 HD22 LEU 16 34.292 -0.630 -2.046 144 HD23 LEU 16 HD23 LEU 16 32.961 -1.783 -1.956 145 H THR 17 HN THR 17 30.269 -4.017 1.053 146 HA THR 17 HA THR 17 31.316 -6.263 2.661 147 HB THR 17 HB THR 17 29.440 -4.067 3.426 148 HG1 THR 17 HG1 THR 17 31.260 -5.551 4.983 149 HG21 THR 17 HG21 THR 17 28.804 -5.634 5.384 150 HG22 THR 17 HG22 THR 17 29.310 -6.943 4.317 151 HG23 THR 17 HG23 THR 17 27.985 -5.880 3.842 152 H PHE 18 HN PHE 18 28.227 -4.913 1.489 153 HA PHE 18 HA PHE 18 26.617 -7.087 1.483 154 HB2 PHE 18 HB2 PHE 18 26.283 -4.677 0.474 155 HB3 PHE 18 HB1 PHE 18 26.703 -5.476 -1.041 156 HD1 PHE 18 HD1 PHE 18 24.466 -5.835 1.941 157 HD2 PHE 18 HD2 PHE 18 25.061 -6.657 -2.233 158 HE1 PHE 18 HE1 PHE 18 22.169 -6.760 1.796 159 HE2 PHE 18 HE2 PHE 18 22.763 -7.582 -2.378 160 HZ PHE 18 HZ PHE 18 21.318 -7.634 -0.364 161 H LEU 19 HN LEU 19 28.936 -6.314 -1.120 162 HA LEU 19 HA LEU 19 28.448 -8.734 -2.565 163 HB2 LEU 19 HB2 LEU 19 30.550 -6.586 -2.675 164 HB3 LEU 19 HB1 LEU 19 30.731 -8.056 -3.629 165 HG LEU 19 HG LEU 19 29.595 -6.154 -4.848 166 HD11 LEU 19 HD11 LEU 19 28.539 -7.715 -6.089 167 HD12 LEU 19 HD12 LEU 19 27.404 -8.072 -4.789 168 HD13 LEU 19 HD13 LEU 19 28.965 -8.886 -4.842 169 HD21 LEU 19 HD21 LEU 19 27.401 -5.464 -4.213 170 HD22 LEU 19 HD22 LEU 19 28.358 -5.427 -2.731 171 HD23 LEU 19 HD23 LEU 19 27.255 -6.768 -3.036 172 H ALA 20 HN ALA 20 31.130 -7.659 -0.470 173 HA ALA 20 HA ALA 20 32.767 -9.853 -0.568 174 HB1 ALA 20 HB1 ALA 20 32.460 -7.628 1.135 175 HB2 ALA 20 HB2 ALA 20 33.824 -8.744 1.066 176 HB3 ALA 20 HB3 ALA 20 32.494 -9.045 2.185 177 H PHE 21 HN PHE 21 30.052 -9.429 1.719 178 HA PHE 21 HA PHE 21 30.221 -12.186 2.572 179 HB2 PHE 21 HB2 PHE 21 28.291 -9.947 3.200 180 HB3 PHE 21 HB1 PHE 21 28.148 -11.569 3.878 181 HD1 PHE 21 HD2 PHE 21 30.570 -8.742 3.493 182 HD2 PHE 21 HD1 PHE 21 29.370 -12.166 5.793 183 HE1 PHE 21 HE2 PHE 21 32.258 -8.175 5.218 184 HE2 PHE 21 HE1 PHE 21 31.058 -11.598 7.518 185 HZ PHE 21 HZ PHE 21 32.502 -9.603 7.229 186 H GLY 22 HN GLY 22 28.168 -10.237 0.467 187 HA2 GLY 22 HA2 GLY 22 26.061 -12.019 0.051 188 HA3 GLY 22 HA1 GLY 22 26.624 -10.841 -1.131 189 H PHE 23 HN PHE 23 29.160 -11.746 -1.680 190 HA PHE 23 HA PHE 23 28.748 -13.687 -3.622 191 HB2 PHE 23 HB2 PHE 23 31.031 -12.320 -2.462 192 HB3 PHE 23 HB1 PHE 23 31.421 -13.990 -2.871 193 HD1 PHE 23 HD2 PHE 23 30.320 -14.784 -5.207 194 HD2 PHE 23 HD1 PHE 23 31.312 -10.738 -4.158 195 HE1 PHE 23 HE2 PHE 23 30.419 -14.183 -7.612 196 HE2 PHE 23 HE1 PHE 23 31.411 -10.138 -6.560 197 HZ PHE 23 HZ PHE 23 30.964 -11.861 -8.288 198 H TRP 24 HN TRP 24 28.943 -14.035 -0.253 199 HA TRP 24 HA TRP 24 29.500 -16.919 -0.468 200 HB2 TRP 24 HB2 TRP 24 31.007 -15.882 1.073 201 HB3 TRP 24 HB1 TRP 24 29.691 -15.010 1.862 202 HD1 TRP 24 HD1 TRP 24 30.380 -18.720 1.014 203 HE1 TRP 24 HE1 TRP 24 29.744 -20.145 3.072 204 HE3 TRP 24 HE3 TRP 24 28.819 -15.043 4.171 205 HZ2 TRP 24 HZ2 TRP 24 28.710 -19.766 5.707 206 HZ3 TRP 24 HZ3 TRP 24 28.011 -15.593 6.453 207 HH2 TRP 24 HH2 TRP 24 27.955 -17.949 7.222 208 H LEU 25 HN LEU 25 27.706 -14.976 1.883 209 HA LEU 25 HA LEU 25 25.876 -16.497 2.929 210 HB2 LEU 25 HB2 LEU 25 25.614 -13.789 1.770 211 HB3 LEU 25 HB1 LEU 25 24.105 -14.608 2.174 212 HG LEU 25 HG LEU 25 26.394 -14.569 4.131 213 HD11 LEU 25 HD11 LEU 25 25.932 -12.218 3.476 214 HD12 LEU 25 HD12 LEU 25 25.440 -12.542 5.139 215 HD13 LEU 25 HD13 LEU 25 24.228 -12.460 3.858 216 HD21 LEU 25 HD21 LEU 25 24.850 -15.386 5.603 217 HD22 LEU 25 HD22 LEU 25 23.985 -15.860 4.140 218 HD23 LEU 25 HD23 LEU 25 23.561 -14.362 4.968 219 H PHE 26 HN PHE 26 25.235 -15.253 -0.364 220 HA PHE 26 HA PHE 26 23.037 -17.068 -0.734 221 HB2 PHE 26 HB2 PHE 26 24.479 -15.642 -2.956 222 HB3 PHE 26 HB1 PHE 26 22.769 -16.060 -2.841 223 HD1 PHE 26 HD2 PHE 26 21.759 -15.138 -0.414 224 HD2 PHE 26 HD1 PHE 26 24.869 -13.349 -2.775 225 HE1 PHE 26 HE2 PHE 26 21.277 -12.940 0.619 226 HE2 PHE 26 HE1 PHE 26 24.387 -11.149 -1.740 227 HZ PHE 26 HZ PHE 26 22.596 -10.946 -0.040 228 H LYS 27 HN LYS 27 26.108 -16.759 -2.524 229 HA LYS 27 HA LYS 27 26.001 -19.112 -3.942 230 HB2 LYS 27 HB2 LYS 27 28.577 -18.108 -2.737 231 HB3 LYS 27 HB1 LYS 27 28.337 -18.915 -4.283 232 HG2 LYS 27 HG2 LYS 27 27.424 -16.121 -3.535 233 HG3 LYS 27 HG1 LYS 27 28.661 -16.554 -4.713 234 HD2 LYS 27 HD2 LYS 27 26.823 -17.856 -5.937 235 HD3 LYS 27 HD1 LYS 27 25.680 -17.008 -4.893 236 HE2 LYS 27 HE2 LYS 27 27.734 -15.618 -6.638 237 HE3 LYS 27 HE1 LYS 27 26.049 -15.862 -7.094 238 HZ1 LYS 27 HZ1 LYS 27 25.677 -13.950 -6.048 239 HZ2 LYS 27 HZ2 LYS 27 27.191 -13.962 -5.276 240 HZ3 LYS 27 HZ3 LYS 27 25.884 -14.810 -4.600 241 H TYR 28 HN TYR 28 26.061 -18.882 -0.584 242 HA TYR 28 HA TYR 28 27.082 -21.655 -0.334 243 HB2 TYR 28 HB2 TYR 28 28.522 -20.750 1.142 244 HB3 TYR 28 HB1 TYR 28 27.613 -19.244 1.243 245 HD1 TYR 28 HD2 TYR 28 27.500 -22.820 2.320 246 HD2 TYR 28 HD1 TYR 28 26.295 -18.781 3.129 247 HE1 TYR 28 HE2 TYR 28 26.556 -23.538 4.499 248 HE2 TYR 28 HE1 TYR 28 25.353 -19.493 5.307 249 HH TYR 28 HH TYR 28 25.349 -22.922 6.271 250 H LEU 29 HN LEU 29 24.785 -19.311 1.048 251 HA LEU 29 HA LEU 29 23.261 -21.460 2.276 252 HB2 LEU 29 HB2 LEU 29 23.711 -19.067 3.225 253 HB3 LEU 29 HB1 LEU 29 22.370 -18.596 2.183 254 HG LEU 29 HG LEU 29 21.332 -20.819 3.366 255 HD11 LEU 29 HD11 LEU 29 21.874 -20.740 5.748 256 HD12 LEU 29 HD12 LEU 29 23.014 -19.425 5.466 257 HD13 LEU 29 HD13 LEU 29 23.343 -21.031 4.817 258 HD21 LEU 29 HD21 LEU 29 20.237 -18.630 3.163 259 HD22 LEU 29 HD22 LEU 29 21.287 -17.975 4.421 260 HD23 LEU 29 HD23 LEU 29 20.106 -19.223 4.820 261 H GLN 30 HN GLN 30 23.000 -19.258 -0.454 262 HA GLN 30 HA GLN 30 20.278 -20.096 -1.054 263 HB2 GLN 30 HB2 GLN 30 20.896 -17.780 -1.467 264 HB3 GLN 30 HB1 GLN 30 22.201 -18.294 -2.532 265 HG2 GLN 30 HG2 GLN 30 20.795 -18.833 -4.248 266 HG3 GLN 30 HG1 GLN 30 19.495 -19.332 -3.166 267 HE21 GLN 30 HE21 GLN 30 20.972 -16.219 -2.546 268 HE22 GLN 30 HE22 GLN 30 19.695 -15.279 -3.148 269 H LYS 31 HN LYS 31 23.375 -21.281 -1.629 270 HA LYS 31 HA LYS 31 22.490 -22.723 -4.058 271 HB2 LYS 31 HB2 LYS 31 25.111 -21.608 -3.199 272 HB3 LYS 31 HB1 LYS 31 25.131 -23.122 -4.103 273 HG2 LYS 31 HG2 LYS 31 25.265 -21.129 -5.591 274 HG3 LYS 31 HG1 LYS 31 23.830 -22.105 -5.904 275 HD2 LYS 31 HD2 LYS 31 22.392 -20.552 -4.937 276 HD3 LYS 31 HD1 LYS 31 23.659 -19.854 -3.927 277 HE2 LYS 31 HE2 LYS 31 24.714 -18.876 -5.935 278 HE3 LYS 31 HE1 LYS 31 23.440 -19.564 -6.939 279 HZ1 LYS 31 HZ1 LYS 31 21.818 -18.245 -5.820 280 HZ2 LYS 31 HZ2 LYS 31 23.071 -17.214 -6.321 281 HZ3 LYS 31 HZ3 LYS 31 22.955 -17.687 -4.694 282 H LYS 32 HN LYS 32 22.201 -23.294 -1.036 283 HA LYS 32 HA LYS 32 23.653 -25.841 -0.879 284 HB2 LYS 32 HB2 LYS 32 22.902 -25.890 1.459 285 HB3 LYS 32 HB1 LYS 32 23.717 -24.370 1.094 286 HG2 LYS 32 HG2 LYS 32 21.878 -23.368 1.952 287 HG3 LYS 32 HG1 LYS 32 21.086 -23.820 0.441 288 HD2 LYS 32 HD2 LYS 32 20.421 -25.989 1.480 289 HD3 LYS 32 HD1 LYS 32 21.124 -25.443 3.002 290 HE2 LYS 32 HE2 LYS 32 19.420 -23.365 2.056 291 HE3 LYS 32 HE1 LYS 32 18.521 -24.878 1.948 292 HZ1 LYS 32 HZ1 LYS 32 18.671 -25.238 4.188 293 HZ2 LYS 32 HZ2 LYS 32 18.578 -23.542 4.160 294 HZ3 LYS 32 HZ3 LYS 32 20.080 -24.311 4.370 Start of MODEL 21 1 H1 LYS 1 HT1 LYS 1 20.108 15.572 -4.536 2 H2 LYS 1 HT2 LYS 1 20.096 16.978 -3.582 3 H3 LYS 1 HT3 LYS 1 20.169 15.449 -2.846 4 HA LYS 1 HA LYS 1 22.269 16.752 -4.485 5 HB2 LYS 1 HB2 LYS 1 21.720 16.444 -1.618 6 HB3 LYS 1 HB1 LYS 1 23.338 15.912 -2.079 7 HG2 LYS 1 HG2 LYS 1 23.801 18.050 -3.132 8 HG3 LYS 1 HG1 LYS 1 22.142 18.585 -2.862 9 HD2 LYS 1 HD2 LYS 1 22.444 18.751 -0.529 10 HD3 LYS 1 HD1 LYS 1 23.888 17.738 -0.556 11 HE2 LYS 1 HE2 LYS 1 23.731 20.450 -1.896 12 HE3 LYS 1 HE1 LYS 1 24.349 20.208 -0.262 13 HZ1 LYS 1 HZ1 LYS 1 25.408 18.929 -2.725 14 HZ2 LYS 1 HZ2 LYS 1 25.997 18.681 -1.150 15 HZ3 LYS 1 HZ3 LYS 1 26.136 20.207 -1.882 16 H LYS 2 HN LYS 2 22.211 14.079 -2.150 17 HA LYS 2 HA LYS 2 22.938 12.182 -4.269 18 HB2 LYS 2 HB2 LYS 2 25.102 12.887 -3.552 19 HB3 LYS 2 HB1 LYS 2 24.632 12.825 -1.853 20 HG2 LYS 2 HG2 LYS 2 24.564 10.460 -1.836 21 HG3 LYS 2 HG1 LYS 2 24.530 10.363 -3.598 22 HD2 LYS 2 HD2 LYS 2 26.763 9.779 -2.783 23 HD3 LYS 2 HD1 LYS 2 26.832 11.304 -3.666 24 HE2 LYS 2 HE2 LYS 2 26.974 12.580 -1.669 25 HE3 LYS 2 HE1 LYS 2 26.464 11.219 -0.669 26 HZ1 LYS 2 HZ1 LYS 2 28.893 11.698 -0.624 27 HZ2 LYS 2 HZ2 LYS 2 28.969 11.236 -2.256 28 HZ3 LYS 2 HZ3 LYS 2 28.502 10.111 -1.072 29 H HIS 3 HN HIS 3 23.142 12.044 -0.723 30 HA HIS 3 HA HIS 3 20.693 10.650 -0.350 31 HB2 HIS 3 HB2 HIS 3 22.138 8.935 -1.581 32 HB3 HIS 3 HB1 HIS 3 23.128 8.884 -0.124 33 HD2 HIS 3 HD2 HIS 3 22.167 6.251 0.503 34 HE1 HIS 3 HE1 HIS 3 18.202 7.470 1.290 35 HE2 HIS 3 HE2 HIS 3 19.848 5.545 1.474 36 H THR 4 HN THR 4 21.093 9.223 1.878 37 HA THR 4 HA THR 4 21.578 11.203 3.859 38 HB THR 4 HB THR 4 20.009 9.493 4.390 39 HG1 THR 4 HG1 THR 4 20.953 8.622 6.268 40 HG21 THR 4 HG21 THR 4 20.270 7.505 3.364 41 HG22 THR 4 HG22 THR 4 21.443 7.106 4.618 42 HG23 THR 4 HG23 THR 4 21.986 7.801 3.091 43 H ILE 5 HN ILE 5 22.971 8.309 4.874 44 HA ILE 5 HA ILE 5 25.699 9.415 4.570 45 HB ILE 5 HB ILE 5 26.122 8.067 6.727 46 HG12 ILE 5 HG12 ILE 5 23.330 8.560 7.515 47 HG13 ILE 5 HG11 ILE 5 23.512 7.276 6.319 48 HG21 ILE 5 HG21 ILE 5 26.283 10.354 7.038 49 HG22 ILE 5 HG22 ILE 5 24.871 10.014 8.039 50 HG23 ILE 5 HG23 ILE 5 24.662 10.658 6.411 51 HD11 ILE 5 HD11 ILE 5 24.988 6.041 7.713 52 HD12 ILE 5 HD12 ILE 5 23.679 6.566 8.773 53 HD13 ILE 5 HD13 ILE 5 25.229 7.410 8.798 54 H TRP 6 HN TRP 6 23.586 6.690 4.262 55 HA TRP 6 HA TRP 6 25.193 4.492 4.233 56 HB2 TRP 6 HB2 TRP 6 22.738 5.275 2.930 57 HB3 TRP 6 HB1 TRP 6 23.712 4.279 1.848 58 HD1 TRP 6 HD1 TRP 6 22.648 1.963 2.056 59 HE1 TRP 6 HE1 TRP 6 22.160 0.342 3.995 60 HE3 TRP 6 HE3 TRP 6 23.769 4.976 6.014 61 HZ2 TRP 6 HZ2 TRP 6 22.235 0.329 6.849 62 HZ3 TRP 6 HZ3 TRP 6 23.553 4.136 8.336 63 HH2 TRP 6 HH2 TRP 6 22.787 1.816 8.759 64 H GLU 7 HN GLU 7 24.617 6.402 1.269 65 HA GLU 7 HA GLU 7 26.576 5.279 -0.312 66 HB2 GLU 7 HB2 GLU 7 25.276 7.956 -0.207 67 HB3 GLU 7 HB1 GLU 7 26.670 7.747 -1.268 68 HG2 GLU 7 HG2 GLU 7 24.305 5.860 -1.277 69 HG3 GLU 7 HG1 GLU 7 24.400 7.272 -2.328 70 H VAL 8 HN VAL 8 27.041 7.107 2.521 71 HA VAL 8 HA VAL 8 29.765 7.883 1.752 72 HB VAL 8 HB VAL 8 28.463 8.516 4.391 73 HG11 VAL 8 HG11 VAL 8 30.966 8.862 3.825 74 HG12 VAL 8 HG12 VAL 8 30.081 10.231 4.500 75 HG13 VAL 8 HG13 VAL 8 30.402 10.156 2.767 76 HG21 VAL 8 HG21 VAL 8 26.921 9.235 2.589 77 HG22 VAL 8 HG22 VAL 8 28.253 10.070 1.790 78 HG23 VAL 8 HG23 VAL 8 27.682 10.624 3.362 79 H ILE 9 HN ILE 9 28.018 5.863 4.075 80 HA ILE 9 HA ILE 9 30.592 4.692 4.913 81 HB ILE 9 HB ILE 9 29.703 5.501 6.875 82 HG12 ILE 9 HG12 ILE 9 29.706 2.790 6.707 83 HG13 ILE 9 HG11 ILE 9 29.328 3.673 8.171 84 HG21 ILE 9 HG21 ILE 9 27.217 5.402 7.381 85 HG22 ILE 9 HG22 ILE 9 26.992 4.923 5.697 86 HG23 ILE 9 HG23 ILE 9 27.714 6.482 6.084 87 HD11 ILE 9 HD11 ILE 9 27.673 1.837 7.495 88 HD12 ILE 9 HD12 ILE 9 27.167 2.913 6.199 89 HD13 ILE 9 HD13 ILE 9 26.988 3.415 7.875 90 H ALA 10 HN ALA 10 27.223 3.923 4.100 91 HA ALA 10 HA ALA 10 27.632 1.098 4.027 92 HB1 ALA 10 HB1 ALA 10 25.402 2.162 4.276 93 HB2 ALA 10 HB2 ALA 10 25.455 1.014 2.939 94 HB3 ALA 10 HB3 ALA 10 25.520 2.746 2.616 95 H GLY 11 HN GLY 11 26.916 3.298 1.298 96 HA2 GLY 11 HA2 GLY 11 27.662 1.598 -0.755 97 HA3 GLY 11 HA1 GLY 11 27.774 3.354 -0.847 98 H LEU 12 HN LEU 12 29.558 2.982 1.675 99 HA LEU 12 HA LEU 12 32.041 2.658 0.149 100 HB2 LEU 12 HB2 LEU 12 31.559 4.782 1.486 101 HB3 LEU 12 HB1 LEU 12 31.786 3.795 2.931 102 HG LEU 12 HG LEU 12 33.983 3.090 1.472 103 HD11 LEU 12 HD11 LEU 12 33.674 6.067 1.043 104 HD12 LEU 12 HD12 LEU 12 33.265 4.889 -0.203 105 HD13 LEU 12 HD13 LEU 12 34.920 5.002 0.394 106 HD21 LEU 12 HD21 LEU 12 33.682 5.429 3.385 107 HD22 LEU 12 HD22 LEU 12 35.213 4.660 2.968 108 HD23 LEU 12 HD23 LEU 12 33.976 3.748 3.833 109 H VAL 13 HN VAL 13 30.155 1.307 2.744 110 HA VAL 13 HA VAL 13 32.348 -0.585 3.360 111 HB VAL 13 HB VAL 13 29.954 0.230 5.020 112 HG11 VAL 13 HG11 VAL 13 31.516 -1.248 6.669 113 HG12 VAL 13 HG12 VAL 13 31.807 -2.086 5.145 114 HG13 VAL 13 HG13 VAL 13 30.162 -1.924 5.762 115 HG21 VAL 13 HG21 VAL 13 31.509 1.327 6.417 116 HG22 VAL 13 HG22 VAL 13 32.094 1.706 4.797 117 HG23 VAL 13 HG23 VAL 13 32.876 0.440 5.743 118 H ALA 14 HN ALA 14 28.788 -0.464 3.081 119 HA ALA 14 HA ALA 14 28.174 -3.122 3.082 120 HB1 ALA 14 HB1 ALA 14 26.267 -2.607 1.685 121 HB2 ALA 14 HB2 ALA 14 27.053 -1.151 1.078 122 HB3 ALA 14 HB3 ALA 14 26.547 -1.242 2.764 123 H LEU 15 HN LEU 15 29.283 -1.257 0.251 124 HA LEU 15 HA LEU 15 29.338 -3.427 -1.553 125 HB2 LEU 15 HB2 LEU 15 31.117 -0.976 -1.556 126 HB3 LEU 15 HB1 LEU 15 30.741 -2.007 -2.940 127 HG LEU 15 HG LEU 15 28.723 -0.400 -1.352 128 HD11 LEU 15 HD11 LEU 15 30.486 0.647 -3.106 129 HD12 LEU 15 HD12 LEU 15 28.835 1.242 -2.954 130 HD13 LEU 15 HD13 LEU 15 29.248 0.104 -4.238 131 HD21 LEU 15 HD21 LEU 15 28.524 -2.397 -3.579 132 HD22 LEU 15 HD22 LEU 15 27.390 -1.048 -3.552 133 HD23 LEU 15 HD23 LEU 15 27.465 -2.164 -2.188 134 H LEU 16 HN LEU 16 31.550 -2.281 0.871 135 HA LEU 16 HA LEU 16 33.597 -4.220 0.072 136 HB2 LEU 16 HB2 LEU 16 33.751 -2.262 2.355 137 HB3 LEU 16 HB1 LEU 16 35.080 -3.044 1.496 138 HG LEU 16 HG LEU 16 33.171 -0.975 0.375 139 HD11 LEU 16 HD11 LEU 16 35.148 -0.304 1.895 140 HD12 LEU 16 HD12 LEU 16 35.037 0.484 0.321 141 HD13 LEU 16 HD13 LEU 16 36.181 -0.836 0.568 142 HD21 LEU 16 HD21 LEU 16 35.224 -2.767 -0.910 143 HD22 LEU 16 HD22 LEU 16 34.835 -1.197 -1.611 144 HD23 LEU 16 HD23 LEU 16 33.576 -2.421 -1.436 145 H THR 17 HN THR 17 30.843 -4.451 1.660 146 HA THR 17 HA THR 17 31.869 -6.515 3.477 147 HB THR 17 HB THR 17 30.115 -4.192 4.269 148 HG1 THR 17 HG1 THR 17 32.570 -4.457 4.477 149 HG21 THR 17 HG21 THR 17 28.880 -5.892 5.243 150 HG22 THR 17 HG22 THR 17 30.093 -5.629 6.496 151 HG23 THR 17 HG23 THR 17 30.268 -6.972 5.366 152 H PHE 18 HN PHE 18 28.692 -4.997 2.973 153 HA PHE 18 HA PHE 18 27.130 -7.245 3.073 154 HB2 PHE 18 HB2 PHE 18 26.509 -4.725 2.714 155 HB3 PHE 18 HB1 PHE 18 26.523 -5.158 1.006 156 HD1 PHE 18 HD2 PHE 18 25.255 -6.515 4.271 157 HD2 PHE 18 HD1 PHE 18 24.525 -5.936 0.077 158 HE1 PHE 18 HE2 PHE 18 23.011 -7.538 4.520 159 HE2 PHE 18 HE1 PHE 18 22.281 -6.959 0.326 160 HZ PHE 18 HZ PHE 18 21.524 -7.759 2.548 161 H LEU 19 HN LEU 19 28.575 -5.849 0.123 162 HA LEU 19 HA LEU 19 27.728 -7.984 -1.574 163 HB2 LEU 19 HB2 LEU 19 29.694 -5.723 -1.829 164 HB3 LEU 19 HB1 LEU 19 29.611 -6.968 -3.070 165 HG LEU 19 HG LEU 19 28.155 -4.939 -3.506 166 HD11 LEU 19 HD11 LEU 19 26.086 -6.964 -3.285 167 HD12 LEU 19 HD12 LEU 19 27.585 -7.672 -3.883 168 HD13 LEU 19 HD13 LEU 19 26.852 -6.312 -4.733 169 HD21 LEU 19 HD21 LEU 19 26.228 -4.540 -2.170 170 HD22 LEU 19 HD22 LEU 19 27.546 -4.770 -1.023 171 HD23 LEU 19 HD23 LEU 19 26.404 -6.077 -1.321 172 H ALA 20 HN ALA 20 30.874 -7.155 -0.113 173 HA ALA 20 HA ALA 20 32.462 -9.151 -1.101 174 HB1 ALA 20 HB1 ALA 20 33.817 -8.064 0.323 175 HB2 ALA 20 HB2 ALA 20 33.145 -9.072 1.606 176 HB3 ALA 20 HB3 ALA 20 32.451 -7.484 1.277 177 H PHE 21 HN PHE 21 30.491 -9.418 1.870 178 HA PHE 21 HA PHE 21 30.919 -12.277 1.991 179 HB2 PHE 21 HB2 PHE 21 29.264 -10.367 3.646 180 HB3 PHE 21 HB1 PHE 21 29.325 -12.104 3.945 181 HD1 PHE 21 HD1 PHE 21 31.617 -9.184 3.399 182 HD2 PHE 21 HD2 PHE 21 30.976 -12.944 5.372 183 HE1 PHE 21 HE1 PHE 21 33.742 -8.892 4.643 184 HE2 PHE 21 HE2 PHE 21 33.101 -12.653 6.617 185 HZ PHE 21 HZ PHE 21 34.482 -10.626 6.251 186 H GLY 22 HN GLY 22 28.350 -10.059 1.050 187 HA2 GLY 22 HA2 GLY 22 26.194 -11.818 0.875 188 HA3 GLY 22 HA1 GLY 22 26.413 -10.403 -0.149 189 H PHE 23 HN PHE 23 28.692 -11.069 -1.543 190 HA PHE 23 HA PHE 23 27.726 -12.600 -3.652 191 HB2 PHE 23 HB2 PHE 23 30.250 -11.369 -2.919 192 HB3 PHE 23 HB1 PHE 23 30.504 -12.908 -3.744 193 HD1 PHE 23 HD1 PHE 23 28.785 -13.293 -5.794 194 HD2 PHE 23 HD2 PHE 23 30.055 -9.480 -4.278 195 HE1 PHE 23 HE1 PHE 23 28.206 -12.237 -7.962 196 HE2 PHE 23 HE2 PHE 23 29.478 -8.426 -6.445 197 HZ PHE 23 HZ PHE 23 28.553 -9.804 -8.288 198 H TRP 24 HN TRP 24 28.949 -13.586 -0.624 199 HA TRP 24 HA TRP 24 29.390 -16.337 -1.569 200 HB2 TRP 24 HB2 TRP 24 31.253 -15.529 -0.297 201 HB3 TRP 24 HB1 TRP 24 30.192 -14.924 0.976 202 HD1 TRP 24 HD1 TRP 24 30.654 -18.336 -0.785 203 HE1 TRP 24 HE1 TRP 24 30.626 -20.182 1.018 204 HE3 TRP 24 HE3 TRP 24 29.997 -15.476 3.375 205 HZ2 TRP 24 HZ2 TRP 24 30.358 -20.406 3.853 206 HZ3 TRP 24 HZ3 TRP 24 29.856 -16.524 5.622 207 HH2 TRP 24 HH2 TRP 24 30.036 -18.984 5.863 208 H LEU 25 HN LEU 25 28.294 -15.022 1.529 209 HA LEU 25 HA LEU 25 26.817 -16.840 2.667 210 HB2 LEU 25 HB2 LEU 25 26.262 -13.963 2.252 211 HB3 LEU 25 HB1 LEU 25 24.920 -14.934 2.860 212 HG LEU 25 HG LEU 25 27.658 -15.198 4.074 213 HD11 LEU 25 HD11 LEU 25 27.045 -13.480 5.726 214 HD12 LEU 25 HD12 LEU 25 25.542 -13.172 4.858 215 HD13 LEU 25 HD13 LEU 25 27.087 -12.788 4.105 216 HD21 LEU 25 HD21 LEU 25 25.160 -15.304 5.666 217 HD22 LEU 25 HD22 LEU 25 26.567 -16.365 5.712 218 HD23 LEU 25 HD23 LEU 25 25.342 -16.581 4.464 219 H PHE 26 HN PHE 26 25.253 -14.928 0.080 220 HA PHE 26 HA PHE 26 23.031 -16.717 -0.067 221 HB2 PHE 26 HB2 PHE 26 23.855 -14.835 -2.266 222 HB3 PHE 26 HB1 PHE 26 22.231 -15.329 -1.794 223 HD1 PHE 26 HD2 PHE 26 21.972 -14.951 0.989 224 HD2 PHE 26 HD1 PHE 26 24.250 -12.588 -1.785 225 HE1 PHE 26 HE2 PHE 26 21.821 -13.011 2.517 226 HE2 PHE 26 HE1 PHE 26 24.098 -10.647 -0.253 227 HZ PHE 26 HZ PHE 26 22.888 -10.859 1.899 228 H LYS 27 HN LYS 27 25.515 -15.982 -2.516 229 HA LYS 27 HA LYS 27 24.941 -18.038 -4.265 230 HB2 LYS 27 HB2 LYS 27 27.762 -17.125 -3.713 231 HB3 LYS 27 HB1 LYS 27 27.072 -17.674 -5.239 232 HG2 LYS 27 HG2 LYS 27 26.429 -15.099 -3.772 233 HG3 LYS 27 HG1 LYS 27 27.234 -15.264 -5.330 234 HD2 LYS 27 HD2 LYS 27 25.060 -16.519 -6.047 235 HD3 LYS 27 HD1 LYS 27 24.342 -15.726 -4.643 236 HE2 LYS 27 HE2 LYS 27 25.618 -13.613 -5.750 237 HE3 LYS 27 HE1 LYS 27 25.280 -14.551 -7.205 238 HZ1 LYS 27 HZ1 LYS 27 23.531 -12.886 -6.203 239 HZ2 LYS 27 HZ2 LYS 27 23.128 -14.235 -5.250 240 HZ3 LYS 27 HZ3 LYS 27 23.048 -14.334 -6.944 241 H TYR 28 HN TYR 28 25.960 -18.441 -1.087 242 HA TYR 28 HA TYR 28 27.015 -21.145 -1.697 243 HB2 TYR 28 HB2 TYR 28 28.849 -20.448 -0.595 244 HB3 TYR 28 HB1 TYR 28 28.022 -19.057 0.098 245 HD1 TYR 28 HD2 TYR 28 28.152 -22.790 0.362 246 HD2 TYR 28 HD1 TYR 28 27.473 -19.056 2.373 247 HE1 TYR 28 HE2 TYR 28 27.932 -23.992 2.520 248 HE2 TYR 28 HE1 TYR 28 27.252 -20.256 4.531 249 HH TYR 28 HH TYR 28 28.337 -22.998 5.227 250 H LEU 29 HN LEU 29 24.954 -19.213 0.434 251 HA LEU 29 HA LEU 29 23.952 -21.709 1.645 252 HB2 LEU 29 HB2 LEU 29 24.725 -19.468 2.909 253 HB3 LEU 29 HB1 LEU 29 23.029 -19.068 2.640 254 HG LEU 29 HG LEU 29 24.054 -21.596 3.965 255 HD11 LEU 29 HD11 LEU 29 22.795 -19.061 5.036 256 HD12 LEU 29 HD12 LEU 29 24.352 -19.764 5.476 257 HD13 LEU 29 HD13 LEU 29 22.855 -20.561 5.961 258 HD21 LEU 29 HD21 LEU 29 21.342 -20.624 3.116 259 HD22 LEU 29 HD22 LEU 29 21.480 -21.606 4.574 260 HD23 LEU 29 HD23 LEU 29 22.022 -22.248 3.024 261 H GLN 30 HN GLN 30 22.882 -18.792 -0.041 262 HA GLN 30 HA GLN 30 20.106 -19.459 0.011 263 HB2 GLN 30 HB2 GLN 30 20.748 -17.165 -0.334 264 HB3 GLN 30 HB1 GLN 30 21.694 -17.594 -1.758 265 HG2 GLN 30 HG2 GLN 30 19.861 -17.819 -3.096 266 HG3 GLN 30 HG1 GLN 30 18.847 -18.422 -1.786 267 HE21 GLN 30 HE21 GLN 30 20.589 -15.482 -1.089 268 HE22 GLN 30 HE22 GLN 30 19.273 -14.427 -1.272 269 H LYS 31 HN LYS 31 22.779 -20.425 -1.966 270 HA LYS 31 HA LYS 31 20.977 -21.563 -3.997 271 HB2 LYS 31 HB2 LYS 31 23.853 -20.799 -3.924 272 HB3 LYS 31 HB1 LYS 31 23.400 -22.159 -4.953 273 HG2 LYS 31 HG2 LYS 31 23.316 -19.957 -6.143 274 HG3 LYS 31 HG1 LYS 31 21.763 -20.793 -6.122 275 HD2 LYS 31 HD2 LYS 31 20.822 -19.309 -4.618 276 HD3 LYS 31 HD1 LYS 31 22.375 -18.901 -3.887 277 HE2 LYS 31 HE2 LYS 31 23.005 -17.641 -5.910 278 HE3 LYS 31 HE1 LYS 31 21.464 -18.059 -6.657 279 HZ1 LYS 31 HZ1 LYS 31 21.880 -16.430 -4.212 280 HZ2 LYS 31 HZ2 LYS 31 20.359 -16.957 -4.754 281 HZ3 LYS 31 HZ3 LYS 31 21.281 -15.896 -5.706 282 H LYS 32 HN LYS 32 23.615 -22.485 -1.805 283 HA LYS 32 HA LYS 32 22.985 -25.320 -2.256 284 HB2 LYS 32 HB2 LYS 32 25.188 -24.567 -0.423 285 HB3 LYS 32 HB1 LYS 32 25.134 -25.809 -1.670 286 HG2 LYS 32 HG2 LYS 32 25.387 -22.827 -2.202 287 HG3 LYS 32 HG1 LYS 32 26.715 -23.981 -2.240 288 HD2 LYS 32 HD2 LYS 32 25.719 -25.182 -4.087 289 HD3 LYS 32 HD1 LYS 32 24.247 -24.217 -3.986 290 HE2 LYS 32 HE2 LYS 32 25.538 -23.292 -5.780 291 HE3 LYS 32 HE1 LYS 32 25.689 -22.171 -4.427 292 HZ1 LYS 32 HZ1 LYS 32 27.783 -23.300 -3.840 293 HZ2 LYS 32 HZ2 LYS 32 27.839 -22.562 -5.370 294 HZ3 LYS 32 HZ3 LYS 32 27.650 -24.246 -5.242 Start of MODEL 22 1 H1 LYS 1 HT1 LYS 1 22.426 16.515 2.518 2 H2 LYS 1 HT2 LYS 1 23.025 18.101 2.627 3 H3 LYS 1 HT3 LYS 1 24.026 16.848 2.066 4 HA LYS 1 HA LYS 1 21.625 17.941 0.705 5 HB2 LYS 1 HB2 LYS 1 23.859 19.223 0.685 6 HB3 LYS 1 HB1 LYS 1 24.482 17.881 -0.276 7 HG2 LYS 1 HG2 LYS 1 23.705 19.155 -2.015 8 HG3 LYS 1 HG1 LYS 1 22.183 18.359 -1.614 9 HD2 LYS 1 HD2 LYS 1 21.610 20.256 -0.114 10 HD3 LYS 1 HD1 LYS 1 23.102 21.063 -0.596 11 HE2 LYS 1 HE2 LYS 1 21.937 21.967 -2.303 12 HE3 LYS 1 HE1 LYS 1 21.889 20.354 -3.012 13 HZ1 LYS 1 HZ1 LYS 1 19.921 20.188 -1.223 14 HZ2 LYS 1 HZ2 LYS 1 19.685 20.646 -2.841 15 HZ3 LYS 1 HZ3 LYS 1 19.814 21.831 -1.630 16 H LYS 2 HN LYS 2 24.392 15.696 0.475 17 HA LYS 2 HA LYS 2 23.056 14.180 -1.624 18 HB2 LYS 2 HB2 LYS 2 25.488 14.575 -1.755 19 HB3 LYS 2 HB1 LYS 2 25.703 13.705 -0.236 20 HG2 LYS 2 HG2 LYS 2 24.116 12.150 -2.105 21 HG3 LYS 2 HG1 LYS 2 25.667 12.584 -2.815 22 HD2 LYS 2 HD2 LYS 2 25.304 11.300 -0.090 23 HD3 LYS 2 HD1 LYS 2 25.757 10.433 -1.555 24 HE2 LYS 2 HE2 LYS 2 27.430 11.963 0.250 25 HE3 LYS 2 HE1 LYS 2 27.907 10.888 -1.060 26 HZ1 LYS 2 HZ1 LYS 2 28.704 13.076 -1.522 27 HZ2 LYS 2 HZ2 LYS 2 27.164 13.753 -1.288 28 HZ3 LYS 2 HZ3 LYS 2 27.453 12.733 -2.615 29 H HIS 3 HN HIS 3 21.453 12.878 -0.955 30 HA HIS 3 HA HIS 3 20.238 11.441 0.398 31 HB2 HIS 3 HB2 HIS 3 21.906 10.022 -0.879 32 HB3 HIS 3 HB1 HIS 3 22.898 10.019 0.579 33 HD2 HIS 3 HD2 HIS 3 22.220 7.154 0.714 34 HE1 HIS 3 HE1 HIS 3 18.300 7.895 2.095 35 HE2 HIS 3 HE2 HIS 3 20.075 6.108 1.777 36 H THR 4 HN THR 4 22.334 9.863 2.289 37 HA THR 4 HA THR 4 22.130 11.785 4.531 38 HB THR 4 HB THR 4 20.428 10.154 4.938 39 HG1 THR 4 HG1 THR 4 21.915 8.812 6.578 40 HG21 THR 4 HG21 THR 4 20.568 8.158 3.919 41 HG22 THR 4 HG22 THR 4 21.797 7.690 5.091 42 HG23 THR 4 HG23 THR 4 22.274 8.416 3.556 43 H ILE 5 HN ILE 5 23.293 8.768 5.415 44 HA ILE 5 HA ILE 5 26.095 9.691 5.185 45 HB ILE 5 HB ILE 5 26.397 8.130 7.219 46 HG12 ILE 5 HG12 ILE 5 23.633 8.741 8.018 47 HG13 ILE 5 HG11 ILE 5 23.747 7.557 6.717 48 HG21 ILE 5 HG21 ILE 5 24.939 10.776 7.268 49 HG22 ILE 5 HG22 ILE 5 26.658 10.475 7.522 50 HG23 ILE 5 HG23 ILE 5 25.486 9.982 8.746 51 HD11 ILE 5 HD11 ILE 5 25.108 6.106 8.014 52 HD12 ILE 5 HD12 ILE 5 23.828 6.632 9.106 53 HD13 ILE 5 HD13 ILE 5 25.433 7.357 9.212 54 H TRP 6 HN TRP 6 23.816 7.158 4.590 55 HA TRP 6 HA TRP 6 25.285 4.868 4.391 56 HB2 TRP 6 HB2 TRP 6 22.900 5.911 3.144 57 HB3 TRP 6 HB1 TRP 6 23.823 4.955 1.987 58 HD1 TRP 6 HD1 TRP 6 22.622 2.696 1.985 59 HE1 TRP 6 HE1 TRP 6 22.012 0.949 3.774 60 HE3 TRP 6 HE3 TRP 6 23.870 5.288 6.195 61 HZ2 TRP 6 HZ2 TRP 6 22.048 0.689 6.617 62 HZ3 TRP 6 HZ3 TRP 6 23.572 4.269 8.435 63 HH2 TRP 6 HH2 TRP 6 22.663 1.973 8.652 64 H GLU 7 HN GLU 7 24.918 7.159 1.671 65 HA GLU 7 HA GLU 7 26.810 6.018 -0.015 66 HB2 GLU 7 HB2 GLU 7 25.371 8.525 0.178 67 HB3 GLU 7 HB1 GLU 7 26.994 8.761 -0.468 68 HG2 GLU 7 HG2 GLU 7 25.085 6.644 -1.484 69 HG3 GLU 7 HG1 GLU 7 25.243 8.240 -2.215 70 H VAL 8 HN VAL 8 27.358 7.414 2.990 71 HA VAL 8 HA VAL 8 30.127 8.163 2.324 72 HB VAL 8 HB VAL 8 28.792 8.639 4.980 73 HG11 VAL 8 HG11 VAL 8 31.318 8.874 4.552 74 HG12 VAL 8 HG12 VAL 8 30.498 10.263 5.262 75 HG13 VAL 8 HG13 VAL 8 30.898 10.258 3.546 76 HG21 VAL 8 HG21 VAL 8 27.353 9.614 3.218 77 HG22 VAL 8 HG22 VAL 8 28.757 10.425 2.523 78 HG23 VAL 8 HG23 VAL 8 28.180 10.879 4.126 79 H ILE 9 HN ILE 9 28.206 6.055 4.417 80 HA ILE 9 HA ILE 9 30.682 4.656 5.196 81 HB ILE 9 HB ILE 9 29.801 5.342 7.207 82 HG12 ILE 9 HG12 ILE 9 29.631 2.661 6.796 83 HG13 ILE 9 HG11 ILE 9 29.279 3.436 8.326 84 HG21 ILE 9 HG21 ILE 9 27.305 5.369 7.655 85 HG22 ILE 9 HG22 ILE 9 27.088 5.052 5.932 86 HG23 ILE 9 HG23 ILE 9 27.903 6.519 6.469 87 HD11 ILE 9 HD11 ILE 9 27.520 1.783 7.461 88 HD12 ILE 9 HD12 ILE 9 27.119 3.000 6.256 89 HD13 ILE 9 HD13 ILE 9 26.933 3.363 7.967 90 H ALA 10 HN ALA 10 27.290 4.191 4.254 91 HA ALA 10 HA ALA 10 27.530 1.360 3.927 92 HB1 ALA 10 HB1 ALA 10 25.363 2.533 4.265 93 HB2 ALA 10 HB2 ALA 10 25.363 1.499 2.837 94 HB3 ALA 10 HB3 ALA 10 25.530 3.246 2.660 95 H GLY 11 HN GLY 11 26.977 3.846 1.415 96 HA2 GLY 11 HA2 GLY 11 27.651 2.299 -0.784 97 HA3 GLY 11 HA1 GLY 11 27.858 4.049 -0.712 98 H LEU 12 HN LEU 12 29.587 3.327 1.780 99 HA LEU 12 HA LEU 12 32.071 3.016 0.250 100 HB2 LEU 12 HB2 LEU 12 31.677 5.030 1.781 101 HB3 LEU 12 HB1 LEU 12 31.848 3.900 3.124 102 HG LEU 12 HG LEU 12 34.027 3.196 1.719 103 HD11 LEU 12 HD11 LEU 12 33.324 5.063 0.044 104 HD12 LEU 12 HD12 LEU 12 35.013 4.973 0.534 105 HD13 LEU 12 HD13 LEU 12 33.948 6.174 1.263 106 HD21 LEU 12 HD21 LEU 12 34.043 3.890 4.060 107 HD22 LEU 12 HD22 LEU 12 33.776 5.570 3.595 108 HD23 LEU 12 HD23 LEU 12 35.297 4.774 3.190 109 H VAL 13 HN VAL 13 30.077 1.550 2.698 110 HA VAL 13 HA VAL 13 32.124 -0.554 3.099 111 HB VAL 13 HB VAL 13 29.870 0.267 4.945 112 HG11 VAL 13 HG11 VAL 13 30.226 -2.088 5.186 113 HG12 VAL 13 HG12 VAL 13 31.113 -1.322 6.504 114 HG13 VAL 13 HG13 VAL 13 31.976 -1.900 5.079 115 HG21 VAL 13 HG21 VAL 13 31.482 1.333 6.260 116 HG22 VAL 13 HG22 VAL 13 32.070 1.695 4.639 117 HG23 VAL 13 HG23 VAL 13 32.807 0.394 5.574 118 H ALA 14 HN ALA 14 28.580 -0.090 3.067 119 HA ALA 14 HA ALA 14 27.721 -2.672 2.873 120 HB1 ALA 14 HB1 ALA 14 25.803 -1.853 1.612 121 HB2 ALA 14 HB2 ALA 14 26.682 -0.386 1.180 122 HB3 ALA 14 HB3 ALA 14 26.231 -0.683 2.859 123 H LEU 15 HN LEU 15 28.887 -0.656 0.179 124 HA LEU 15 HA LEU 15 28.597 -2.651 -1.807 125 HB2 LEU 15 HB2 LEU 15 28.894 -0.225 -2.298 126 HB3 LEU 15 HB1 LEU 15 30.561 -0.343 -1.740 127 HG LEU 15 HG LEU 15 31.010 -2.054 -3.486 128 HD11 LEU 15 HD11 LEU 15 28.079 -1.666 -3.940 129 HD12 LEU 15 HD12 LEU 15 29.049 -3.135 -4.057 130 HD13 LEU 15 HD13 LEU 15 29.098 -1.941 -5.354 131 HD21 LEU 15 HD21 LEU 15 30.744 -0.475 -5.457 132 HD22 LEU 15 HD22 LEU 15 31.550 0.220 -4.050 133 HD23 LEU 15 HD23 LEU 15 29.859 0.602 -4.378 134 H LEU 16 HN LEU 16 31.088 -1.906 0.527 135 HA LEU 16 HA LEU 16 32.918 -3.880 -0.613 136 HB2 LEU 16 HB2 LEU 16 33.322 -2.277 1.908 137 HB3 LEU 16 HB1 LEU 16 34.547 -3.032 0.889 138 HG LEU 16 HG LEU 16 32.776 -0.687 0.151 139 HD11 LEU 16 HD11 LEU 16 34.765 0.610 0.193 140 HD12 LEU 16 HD12 LEU 16 35.793 -0.822 0.228 141 HD13 LEU 16 HD13 LEU 16 34.849 -0.380 1.650 142 HD21 LEU 16 HD21 LEU 16 34.627 -2.435 -1.465 143 HD22 LEU 16 HD22 LEU 16 34.342 -0.756 -1.926 144 HD23 LEU 16 HD23 LEU 16 32.995 -1.893 -1.860 145 H THR 17 HN THR 17 30.259 -4.008 1.270 146 HA THR 17 HA THR 17 31.284 -6.289 2.849 147 HB THR 17 HB THR 17 29.418 -4.079 3.585 148 HG1 THR 17 HG1 THR 17 31.469 -4.010 4.403 149 HG21 THR 17 HG21 THR 17 28.731 -5.624 5.537 150 HG22 THR 17 HG22 THR 17 29.242 -6.948 4.492 151 HG23 THR 17 HG23 THR 17 27.935 -5.876 3.985 152 H PHE 18 HN PHE 18 28.174 -4.958 1.707 153 HA PHE 18 HA PHE 18 26.605 -7.164 1.686 154 HB2 PHE 18 HB2 PHE 18 26.218 -4.735 0.728 155 HB3 PHE 18 HB1 PHE 18 26.603 -5.512 -0.808 156 HD1 PHE 18 HD1 PHE 18 24.440 -5.885 2.223 157 HD2 PHE 18 HD2 PHE 18 24.957 -6.744 -1.954 158 HE1 PHE 18 HE1 PHE 18 22.152 -6.836 2.136 159 HE2 PHE 18 HE2 PHE 18 22.669 -7.695 -2.041 160 HZ PHE 18 HZ PHE 18 21.266 -7.741 0.003 161 H LEU 19 HN LEU 19 28.814 -6.275 -0.977 162 HA LEU 19 HA LEU 19 28.361 -8.669 -2.457 163 HB2 LEU 19 HB2 LEU 19 30.431 -6.490 -2.548 164 HB3 LEU 19 HB1 LEU 19 30.605 -7.926 -3.553 165 HG LEU 19 HG LEU 19 29.417 -5.999 -4.679 166 HD11 LEU 19 HD11 LEU 19 28.822 -8.740 -4.749 167 HD12 LEU 19 HD12 LEU 19 28.360 -7.536 -5.949 168 HD13 LEU 19 HD13 LEU 19 27.253 -7.946 -4.641 169 HD21 LEU 19 HD21 LEU 19 27.124 -6.711 -2.844 170 HD22 LEU 19 HD22 LEU 19 27.234 -5.357 -3.968 171 HD23 LEU 19 HD23 LEU 19 28.219 -5.371 -2.506 172 H ALA 20 HN ALA 20 31.085 -7.607 -0.409 173 HA ALA 20 HA ALA 20 32.746 -9.773 -0.599 174 HB1 ALA 20 HB1 ALA 20 33.515 -9.257 1.664 175 HB2 ALA 20 HB2 ALA 20 32.056 -8.315 1.961 176 HB3 ALA 20 HB3 ALA 20 33.227 -7.768 0.764 177 H PHE 21 HN PHE 21 30.084 -9.461 1.771 178 HA PHE 21 HA PHE 21 30.319 -12.243 2.520 179 HB2 PHE 21 HB2 PHE 21 28.384 -10.057 3.295 180 HB3 PHE 21 HB1 PHE 21 28.280 -11.706 3.911 181 HD1 PHE 21 HD2 PHE 21 30.519 -8.739 3.674 182 HD2 PHE 21 HD1 PHE 21 29.711 -12.465 5.651 183 HE1 PHE 21 HE2 PHE 21 32.261 -8.221 5.359 184 HE2 PHE 21 HE1 PHE 21 31.452 -11.947 7.338 185 HZ PHE 21 HZ PHE 21 32.727 -9.824 7.192 186 H GLY 22 HN GLY 22 28.185 -10.252 0.547 187 HA2 GLY 22 HA2 GLY 22 26.079 -12.035 0.130 188 HA3 GLY 22 HA1 GLY 22 26.607 -10.820 -1.031 189 H PHE 23 HN PHE 23 29.138 -11.699 -1.655 190 HA PHE 23 HA PHE 23 28.687 -13.586 -3.643 191 HB2 PHE 23 HB2 PHE 23 30.982 -12.220 -2.511 192 HB3 PHE 23 HB1 PHE 23 31.384 -13.878 -2.959 193 HD1 PHE 23 HD1 PHE 23 30.229 -14.642 -5.283 194 HD2 PHE 23 HD2 PHE 23 31.222 -10.609 -4.186 195 HE1 PHE 23 HE1 PHE 23 30.266 -13.998 -7.678 196 HE2 PHE 23 HE2 PHE 23 31.258 -9.965 -6.577 197 HZ PHE 23 HZ PHE 23 30.778 -11.660 -8.325 198 H TRP 24 HN TRP 24 29.054 -14.011 -0.281 199 HA TRP 24 HA TRP 24 29.623 -16.881 -0.588 200 HB2 TRP 24 HB2 TRP 24 31.128 -15.843 0.959 201 HB3 TRP 24 HB1 TRP 24 29.801 -15.032 1.792 202 HD1 TRP 24 HD1 TRP 24 30.572 -18.697 0.829 203 HE1 TRP 24 HE1 TRP 24 30.019 -20.194 2.859 204 HE3 TRP 24 HE3 TRP 24 28.984 -15.150 4.117 205 HZ2 TRP 24 HZ2 TRP 24 29.031 -19.914 5.524 206 HZ3 TRP 24 HZ3 TRP 24 28.240 -15.783 6.399 207 HH2 TRP 24 HH2 TRP 24 28.261 -18.160 7.104 208 H LEU 25 HN LEU 25 27.822 -15.048 1.846 209 HA LEU 25 HA LEU 25 26.036 -16.648 2.860 210 HB2 LEU 25 HB2 LEU 25 25.719 -13.896 1.828 211 HB3 LEU 25 HB1 LEU 25 24.228 -14.754 2.218 212 HG LEU 25 HG LEU 25 26.546 -14.777 4.133 213 HD11 LEU 25 HD11 LEU 25 24.363 -12.675 3.990 214 HD12 LEU 25 HD12 LEU 25 26.062 -12.404 3.602 215 HD13 LEU 25 HD13 LEU 25 25.587 -12.808 5.252 216 HD21 LEU 25 HD21 LEU 25 25.036 -15.670 5.595 217 HD22 LEU 25 HD22 LEU 25 24.154 -16.092 4.129 218 HD23 LEU 25 HD23 LEU 25 23.725 -14.636 5.027 219 H PHE 26 HN PHE 26 25.262 -15.237 -0.334 220 HA PHE 26 HA PHE 26 23.087 -17.043 -0.742 221 HB2 PHE 26 HB2 PHE 26 24.522 -15.571 -2.939 222 HB3 PHE 26 HB1 PHE 26 22.814 -15.989 -2.832 223 HD1 PHE 26 HD1 PHE 26 21.862 -15.128 -0.318 224 HD2 PHE 26 HD2 PHE 26 24.861 -13.271 -2.772 225 HE1 PHE 26 HE1 PHE 26 21.394 -12.949 0.761 226 HE2 PHE 26 HE2 PHE 26 24.387 -11.091 -1.693 227 HZ PHE 26 HZ PHE 26 22.659 -10.930 0.075 228 H LYS 27 HN LYS 27 26.148 -16.735 -2.544 229 HA LYS 27 HA LYS 27 25.958 -19.077 -3.995 230 HB2 LYS 27 HB2 LYS 27 28.579 -18.051 -2.910 231 HB3 LYS 27 HB1 LYS 27 28.277 -18.872 -4.440 232 HG2 LYS 27 HG2 LYS 27 27.378 -16.083 -3.663 233 HG3 LYS 27 HG1 LYS 27 28.545 -16.515 -4.909 234 HD2 LYS 27 HD2 LYS 27 26.580 -17.900 -5.924 235 HD3 LYS 27 HD1 LYS 27 25.560 -16.872 -4.916 236 HE2 LYS 27 HE2 LYS 27 27.153 -14.983 -6.014 237 HE3 LYS 27 HE1 LYS 27 27.165 -16.172 -7.315 238 HZ1 LYS 27 HZ1 LYS 27 24.548 -15.912 -6.320 239 HZ2 LYS 27 HZ2 LYS 27 25.130 -15.562 -7.877 240 HZ3 LYS 27 HZ3 LYS 27 25.149 -14.366 -6.673 241 H TYR 28 HN TYR 28 26.079 -18.907 -0.653 242 HA TYR 28 HA TYR 28 27.167 -21.661 -0.482 243 HB2 TYR 28 HB2 TYR 28 28.689 -20.762 0.914 244 HB3 TYR 28 HB1 TYR 28 27.766 -19.277 1.116 245 HD1 TYR 28 HD2 TYR 28 27.678 -22.901 2.053 246 HD2 TYR 28 HD1 TYR 28 26.662 -18.873 3.139 247 HE1 TYR 28 HE2 TYR 28 26.875 -23.699 4.262 248 HE2 TYR 28 HE1 TYR 28 25.857 -19.668 5.345 249 HH TYR 28 HH TYR 28 26.593 -22.106 6.798 250 H LEU 29 HN LEU 29 24.707 -19.395 0.665 251 HA LEU 29 HA LEU 29 23.332 -21.636 2.000 252 HB2 LEU 29 HB2 LEU 29 23.848 -19.200 3.007 253 HB3 LEU 29 HB1 LEU 29 22.298 -18.861 2.240 254 HG LEU 29 HG LEU 29 22.834 -21.106 4.207 255 HD11 LEU 29 HD11 LEU 29 21.466 -18.420 4.456 256 HD12 LEU 29 HD12 LEU 29 22.823 -19.033 5.401 257 HD13 LEU 29 HD13 LEU 29 21.216 -19.728 5.612 258 HD21 LEU 29 HD21 LEU 29 20.191 -21.003 4.122 259 HD22 LEU 29 HD22 LEU 29 21.081 -21.921 2.906 260 HD23 LEU 29 HD23 LEU 29 20.477 -20.308 2.527 261 H GLN 30 HN GLN 30 22.850 -19.078 -0.395 262 HA GLN 30 HA GLN 30 20.126 -19.739 -0.946 263 HB2 GLN 30 HB2 GLN 30 20.931 -17.544 -1.511 264 HB3 GLN 30 HB1 GLN 30 22.192 -18.217 -2.541 265 HG2 GLN 30 HG2 GLN 30 20.759 -18.675 -4.253 266 HG3 GLN 30 HG1 GLN 30 19.421 -19.057 -3.172 267 HE21 GLN 30 HE21 GLN 30 21.043 -16.023 -2.570 268 HE22 GLN 30 HE22 GLN 30 19.850 -15.027 -3.248 269 H LYS 31 HN LYS 31 23.173 -21.030 -1.968 270 HA LYS 31 HA LYS 31 21.902 -22.529 -4.158 271 HB2 LYS 31 HB2 LYS 31 24.695 -21.756 -3.474 272 HB3 LYS 31 HB1 LYS 31 24.460 -23.279 -4.332 273 HG2 LYS 31 HG2 LYS 31 24.781 -21.326 -5.868 274 HG3 LYS 31 HG1 LYS 31 23.238 -22.150 -6.105 275 HD2 LYS 31 HD2 LYS 31 22.014 -20.419 -5.176 276 HD3 LYS 31 HD1 LYS 31 23.349 -19.882 -4.156 277 HE2 LYS 31 HE2 LYS 31 24.524 -19.008 -6.136 278 HE3 LYS 31 HE1 LYS 31 23.205 -19.561 -7.170 279 HZ1 LYS 31 HZ1 LYS 31 22.568 -17.827 -4.895 280 HZ2 LYS 31 HZ2 LYS 31 21.800 -17.959 -6.404 281 HZ3 LYS 31 HZ3 LYS 31 23.274 -17.124 -6.267 282 H LYS 32 HN LYS 32 23.843 -23.027 -1.225 283 HA LYS 32 HA LYS 32 23.229 -25.897 -1.318 284 HB2 LYS 32 HB2 LYS 32 24.914 -24.810 0.864 285 HB3 LYS 32 HB1 LYS 32 25.127 -26.262 -0.108 286 HG2 LYS 32 HG2 LYS 32 25.645 -23.430 -1.081 287 HG3 LYS 32 HG1 LYS 32 26.883 -24.568 -0.565 288 HD2 LYS 32 HD2 LYS 32 26.342 -26.091 -2.362 289 HD3 LYS 32 HD1 LYS 32 24.939 -25.128 -2.822 290 HE2 LYS 32 HE2 LYS 32 26.692 -24.550 -4.352 291 HE3 LYS 32 HE1 LYS 32 26.532 -23.195 -3.235 292 HZ1 LYS 32 HZ1 LYS 32 28.330 -25.164 -2.239 293 HZ2 LYS 32 HZ2 LYS 32 28.588 -23.505 -2.506 294 HZ3 LYS 32 HZ3 LYS 32 28.817 -24.618 -3.769 Start of MODEL 23 1 H1 LYS 1 HT1 LYS 1 19.537 17.655 -0.284 2 H2 LYS 1 HT2 LYS 1 20.555 16.402 0.243 3 H3 LYS 1 HT3 LYS 1 19.051 16.040 -0.459 4 HA LYS 1 HA LYS 1 19.826 17.056 -2.558 5 HB2 LYS 1 HB2 LYS 1 22.458 17.116 -2.577 6 HB3 LYS 1 HB1 LYS 1 21.558 18.507 -1.970 7 HG2 LYS 1 HG2 LYS 1 22.004 17.982 0.272 8 HG3 LYS 1 HG1 LYS 1 22.369 16.296 -0.097 9 HD2 LYS 1 HD2 LYS 1 24.418 17.622 0.411 10 HD3 LYS 1 HD1 LYS 1 24.436 16.951 -1.220 11 HE2 LYS 1 HE2 LYS 1 25.122 19.406 -1.015 12 HE3 LYS 1 HE1 LYS 1 23.862 19.053 -2.196 13 HZ1 LYS 1 HZ1 LYS 1 23.237 20.942 -0.867 14 HZ2 LYS 1 HZ2 LYS 1 23.450 20.057 0.568 15 HZ3 LYS 1 HZ3 LYS 1 22.205 19.644 -0.513 16 H LYS 2 HN LYS 2 22.730 15.442 -1.655 17 HA LYS 2 HA LYS 2 22.363 13.268 -3.372 18 HB2 LYS 2 HB2 LYS 2 24.576 13.853 -2.624 19 HB3 LYS 2 HB1 LYS 2 24.136 13.568 -0.939 20 HG2 LYS 2 HG2 LYS 2 23.968 11.225 -1.262 21 HG3 LYS 2 HG1 LYS 2 23.921 11.389 -3.019 22 HD2 LYS 2 HD2 LYS 2 26.142 10.603 -2.147 23 HD3 LYS 2 HD1 LYS 2 26.239 12.103 -3.070 24 HE2 LYS 2 HE2 LYS 2 25.856 12.213 -0.092 25 HE3 LYS 2 HE1 LYS 2 27.467 11.940 -0.756 26 HZ1 LYS 2 HZ1 LYS 2 27.519 14.163 -0.862 27 HZ2 LYS 2 HZ2 LYS 2 25.829 14.324 -0.797 28 HZ3 LYS 2 HZ3 LYS 2 26.596 13.965 -2.271 29 H HIS 3 HN HIS 3 22.749 12.728 0.106 30 HA HIS 3 HA HIS 3 20.203 11.409 0.386 31 HB2 HIS 3 HB2 HIS 3 21.585 9.709 -0.843 32 HB3 HIS 3 HB1 HIS 3 22.687 9.690 0.533 33 HD2 HIS 3 HD2 HIS 3 21.691 6.923 0.887 34 HE1 HIS 3 HE1 HIS 3 18.049 8.218 2.583 35 HE2 HIS 3 HE2 HIS 3 19.554 6.208 2.208 36 H THR 4 HN THR 4 22.114 9.663 2.311 37 HA THR 4 HA THR 4 22.089 11.667 4.493 38 HB THR 4 HB THR 4 20.403 10.006 4.948 39 HG1 THR 4 HG1 THR 4 22.059 10.607 6.591 40 HG21 THR 4 HG21 THR 4 22.239 8.281 3.585 41 HG22 THR 4 HG22 THR 4 20.586 7.939 4.093 42 HG23 THR 4 HG23 THR 4 21.927 7.609 5.185 43 H ILE 5 HN ILE 5 23.293 8.782 5.557 44 HA ILE 5 HA ILE 5 26.078 9.686 5.167 45 HB ILE 5 HB ILE 5 26.451 8.151 7.209 46 HG12 ILE 5 HG12 ILE 5 23.690 8.757 8.048 47 HG13 ILE 5 HG11 ILE 5 23.811 7.527 6.790 48 HG21 ILE 5 HG21 ILE 5 25.325 10.070 8.677 49 HG22 ILE 5 HG22 ILE 5 25.163 10.845 7.100 50 HG23 ILE 5 HG23 ILE 5 26.757 10.388 7.698 51 HD11 ILE 5 HD11 ILE 5 25.190 6.139 8.121 52 HD12 ILE 5 HD12 ILE 5 23.943 6.713 9.227 53 HD13 ILE 5 HD13 ILE 5 25.548 7.441 9.252 54 H TRP 6 HN TRP 6 23.816 7.142 4.614 55 HA TRP 6 HA TRP 6 25.296 4.856 4.421 56 HB2 TRP 6 HB2 TRP 6 22.882 5.865 3.217 57 HB3 TRP 6 HB1 TRP 6 23.792 4.922 2.038 58 HD1 TRP 6 HD1 TRP 6 22.633 2.643 2.058 59 HE1 TRP 6 HE1 TRP 6 22.076 0.889 3.857 60 HE3 TRP 6 HE3 TRP 6 23.902 5.259 6.246 61 HZ2 TRP 6 HZ2 TRP 6 22.158 0.633 6.698 62 HZ3 TRP 6 HZ3 TRP 6 23.652 4.239 8.492 63 HH2 TRP 6 HH2 TRP 6 22.782 1.928 8.724 64 H GLU 7 HN GLU 7 24.913 7.182 1.737 65 HA GLU 7 HA GLU 7 26.777 6.009 0.016 66 HB2 GLU 7 HB2 GLU 7 25.307 8.500 0.195 67 HB3 GLU 7 HB1 GLU 7 26.920 8.748 -0.476 68 HG2 GLU 7 HG2 GLU 7 25.012 6.603 -1.439 69 HG3 GLU 7 HG1 GLU 7 25.163 8.187 -2.197 70 H VAL 8 HN VAL 8 27.360 7.367 3.006 71 HA VAL 8 HA VAL 8 30.106 8.174 2.301 72 HB VAL 8 HB VAL 8 28.781 8.651 4.962 73 HG11 VAL 8 HG11 VAL 8 31.332 8.906 4.390 74 HG12 VAL 8 HG12 VAL 8 30.517 10.172 5.308 75 HG13 VAL 8 HG13 VAL 8 30.808 10.383 3.582 76 HG21 VAL 8 HG21 VAL 8 28.731 10.428 2.500 77 HG22 VAL 8 HG22 VAL 8 28.150 10.883 4.102 78 HG23 VAL 8 HG23 VAL 8 27.334 9.609 3.197 79 H ILE 9 HN ILE 9 28.220 6.040 4.392 80 HA ILE 9 HA ILE 9 30.715 4.671 5.166 81 HB ILE 9 HB ILE 9 29.851 5.351 7.184 82 HG12 ILE 9 HG12 ILE 9 29.677 2.670 6.780 83 HG13 ILE 9 HG11 ILE 9 29.332 3.448 8.313 84 HG21 ILE 9 HG21 ILE 9 27.358 5.379 7.655 85 HG22 ILE 9 HG22 ILE 9 27.128 5.064 5.933 86 HG23 ILE 9 HG23 ILE 9 27.950 6.530 6.464 87 HD11 ILE 9 HD11 ILE 9 27.161 3.010 6.257 88 HD12 ILE 9 HD12 ILE 9 26.986 3.375 7.967 89 HD13 ILE 9 HD13 ILE 9 27.572 1.794 7.458 90 H ALA 10 HN ALA 10 27.321 4.185 4.251 91 HA ALA 10 HA ALA 10 27.576 1.353 3.930 92 HB1 ALA 10 HB1 ALA 10 25.546 3.214 2.676 93 HB2 ALA 10 HB2 ALA 10 25.405 2.523 4.292 94 HB3 ALA 10 HB3 ALA 10 25.393 1.469 2.879 95 H GLY 11 HN GLY 11 26.975 3.837 1.426 96 HA2 GLY 11 HA2 GLY 11 27.628 2.296 -0.784 97 HA3 GLY 11 HA1 GLY 11 27.828 4.047 -0.711 98 H LEU 12 HN LEU 12 29.593 3.330 1.757 99 HA LEU 12 HA LEU 12 32.058 3.029 0.193 100 HB2 LEU 12 HB2 LEU 12 31.683 5.046 1.719 101 HB3 LEU 12 HB1 LEU 12 31.861 3.923 3.067 102 HG LEU 12 HG LEU 12 34.022 3.225 1.586 103 HD11 LEU 12 HD11 LEU 12 33.659 6.213 1.196 104 HD12 LEU 12 HD12 LEU 12 33.551 5.002 -0.081 105 HD13 LEU 12 HD13 LEU 12 35.084 5.276 0.745 106 HD21 LEU 12 HD21 LEU 12 33.811 5.481 3.606 107 HD22 LEU 12 HD22 LEU 12 35.319 4.696 3.141 108 HD23 LEU 12 HD23 LEU 12 34.063 3.773 3.966 109 H VAL 13 HN VAL 13 30.108 1.564 2.680 110 HA VAL 13 HA VAL 13 32.168 -0.532 3.050 111 HB VAL 13 HB VAL 13 29.938 0.273 4.933 112 HG11 VAL 13 HG11 VAL 13 31.794 -1.299 6.276 113 HG12 VAL 13 HG12 VAL 13 31.635 -2.098 4.712 114 HG13 VAL 13 HG13 VAL 13 30.209 -1.828 5.715 115 HG21 VAL 13 HG21 VAL 13 32.875 0.443 5.531 116 HG22 VAL 13 HG22 VAL 13 31.547 1.380 6.209 117 HG23 VAL 13 HG23 VAL 13 32.124 1.725 4.580 118 H ALA 14 HN ALA 14 28.623 -0.081 3.076 119 HA ALA 14 HA ALA 14 27.773 -2.669 2.902 120 HB1 ALA 14 HB1 ALA 14 25.872 -1.823 1.522 121 HB2 ALA 14 HB2 ALA 14 26.727 -0.290 1.348 122 HB3 ALA 14 HB3 ALA 14 26.193 -0.825 2.940 123 H LEU 15 HN LEU 15 28.884 -0.650 0.185 124 HA LEU 15 HA LEU 15 28.567 -2.653 -1.790 125 HB2 LEU 15 HB2 LEU 15 28.836 -0.232 -2.302 126 HB3 LEU 15 HB1 LEU 15 30.511 -0.326 -1.763 127 HG LEU 15 HG LEU 15 30.965 -2.034 -3.507 128 HD11 LEU 15 HD11 LEU 15 29.017 -3.159 -4.037 129 HD12 LEU 15 HD12 LEU 15 29.023 -1.976 -5.345 130 HD13 LEU 15 HD13 LEU 15 28.022 -1.708 -3.919 131 HD21 LEU 15 HD21 LEU 15 30.989 -0.508 -5.368 132 HD22 LEU 15 HD22 LEU 15 31.210 0.458 -3.909 133 HD23 LEU 15 HD23 LEU 15 29.636 0.410 -4.705 134 H LEU 16 HN LEU 16 31.086 -1.898 0.505 135 HA LEU 16 HA LEU 16 32.906 -3.868 -0.664 136 HB2 LEU 16 HB2 LEU 16 33.362 -2.243 1.834 137 HB3 LEU 16 HB1 LEU 16 34.565 -2.998 0.788 138 HG LEU 16 HG LEU 16 32.762 -0.667 0.084 139 HD11 LEU 16 HD11 LEU 16 34.876 -0.344 1.524 140 HD12 LEU 16 HD12 LEU 16 34.739 0.643 0.069 141 HD13 LEU 16 HD13 LEU 16 35.779 -0.780 0.074 142 HD21 LEU 16 HD21 LEU 16 34.270 -0.740 -2.035 143 HD22 LEU 16 HD22 LEU 16 32.935 -1.888 -1.926 144 HD23 LEU 16 HD23 LEU 16 34.581 -2.413 -1.571 145 H THR 17 HN THR 17 30.280 -4.013 1.239 146 HA THR 17 HA THR 17 31.344 -6.269 2.829 147 HB THR 17 HB THR 17 29.505 -4.046 3.590 148 HG1 THR 17 HG1 THR 17 30.848 -3.960 5.256 149 HG21 THR 17 HG21 THR 17 28.836 -5.571 5.561 150 HG22 THR 17 HG22 THR 17 29.317 -6.909 4.520 151 HG23 THR 17 HG23 THR 17 28.014 -5.829 4.023 152 H PHE 18 HN PHE 18 28.216 -4.939 1.739 153 HA PHE 18 HA PHE 18 26.643 -7.148 1.766 154 HB2 PHE 18 HB2 PHE 18 26.235 -4.721 0.809 155 HB3 PHE 18 HB1 PHE 18 26.587 -5.501 -0.733 156 HD1 PHE 18 HD2 PHE 18 24.490 -5.867 2.344 157 HD2 PHE 18 HD1 PHE 18 24.920 -6.736 -1.840 158 HE1 PHE 18 HE2 PHE 18 22.201 -6.822 2.308 159 HE2 PHE 18 HE1 PHE 18 22.631 -7.691 -1.878 160 HZ PHE 18 HZ PHE 18 21.272 -7.734 0.197 161 H LEU 19 HN LEU 19 28.833 -6.279 -0.916 162 HA LEU 19 HA LEU 19 28.332 -8.681 -2.383 163 HB2 LEU 19 HB2 LEU 19 30.374 -6.481 -2.548 164 HB3 LEU 19 HB1 LEU 19 30.555 -7.932 -3.531 165 HG LEU 19 HG LEU 19 29.317 -6.045 -4.672 166 HD11 LEU 19 HD11 LEU 19 27.184 -8.021 -4.561 167 HD12 LEU 19 HD12 LEU 19 28.762 -8.796 -4.679 168 HD13 LEU 19 HD13 LEU 19 28.265 -7.622 -5.894 169 HD21 LEU 19 HD21 LEU 19 28.146 -5.401 -2.484 170 HD22 LEU 19 HD22 LEU 19 27.060 -6.755 -2.792 171 HD23 LEU 19 HD23 LEU 19 27.144 -5.414 -3.934 172 H ALA 20 HN ALA 20 31.088 -7.590 -0.396 173 HA ALA 20 HA ALA 20 32.770 -9.737 -0.615 174 HB1 ALA 20 HB1 ALA 20 33.598 -9.196 1.609 175 HB2 ALA 20 HB2 ALA 20 32.119 -8.308 1.971 176 HB3 ALA 20 HB3 ALA 20 33.228 -7.706 0.740 177 H PHE 21 HN PHE 21 30.137 -9.450 1.788 178 HA PHE 21 HA PHE 21 30.422 -12.230 2.543 179 HB2 PHE 21 HB2 PHE 21 28.489 -10.060 3.367 180 HB3 PHE 21 HB1 PHE 21 28.424 -11.708 3.992 181 HD1 PHE 21 HD1 PHE 21 30.593 -8.697 3.701 182 HD2 PHE 21 HD2 PHE 21 29.938 -12.458 5.669 183 HE1 PHE 21 HE1 PHE 21 32.375 -8.151 5.336 184 HE2 PHE 21 HE2 PHE 21 31.719 -11.912 7.305 185 HZ PHE 21 HZ PHE 21 32.937 -9.759 7.138 186 H GLY 22 HN GLY 22 28.237 -10.258 0.603 187 HA2 GLY 22 HA2 GLY 22 26.130 -12.061 0.258 188 HA3 GLY 22 HA1 GLY 22 26.610 -10.844 -0.920 189 H PHE 23 HN PHE 23 29.115 -11.681 -1.644 190 HA PHE 23 HA PHE 23 28.642 -13.576 -3.608 191 HB2 PHE 23 HB2 PHE 23 30.965 -12.219 -2.504 192 HB3 PHE 23 HB1 PHE 23 31.350 -13.869 -2.997 193 HD1 PHE 23 HD2 PHE 23 30.149 -14.583 -5.311 194 HD2 PHE 23 HD1 PHE 23 31.147 -10.570 -4.147 195 HE1 PHE 23 HE2 PHE 23 30.126 -13.886 -7.690 196 HE2 PHE 23 HE1 PHE 23 31.124 -9.874 -6.525 197 HZ PHE 23 HZ PHE 23 30.613 -11.532 -8.299 198 H TRP 24 HN TRP 24 29.025 -14.019 -0.259 199 HA TRP 24 HA TRP 24 29.592 -16.889 -0.588 200 HB2 TRP 24 HB2 TRP 24 31.146 -15.882 0.925 201 HB3 TRP 24 HB1 TRP 24 29.850 -15.060 1.796 202 HD1 TRP 24 HD1 TRP 24 30.528 -18.729 0.780 203 HE1 TRP 24 HE1 TRP 24 30.006 -20.234 2.812 204 HE3 TRP 24 HE3 TRP 24 29.110 -15.182 4.147 205 HZ2 TRP 24 HZ2 TRP 24 29.104 -19.959 5.508 206 HZ3 TRP 24 HZ3 TRP 24 28.420 -15.824 6.442 207 HH2 TRP 24 HH2 TRP 24 28.416 -18.206 7.125 208 H LEU 25 HN LEU 25 27.852 -15.034 1.874 209 HA LEU 25 HA LEU 25 26.088 -16.633 2.930 210 HB2 LEU 25 HB2 LEU 25 25.778 -13.881 1.926 211 HB3 LEU 25 HB1 LEU 25 24.270 -14.729 2.279 212 HG LEU 25 HG LEU 25 26.582 -14.756 4.207 213 HD11 LEU 25 HD11 LEU 25 24.788 -12.958 5.266 214 HD12 LEU 25 HD12 LEU 25 24.747 -12.545 3.551 215 HD13 LEU 25 HD13 LEU 25 26.274 -12.514 4.431 216 HD21 LEU 25 HD21 LEU 25 25.146 -15.853 5.578 217 HD22 LEU 25 HD22 LEU 25 24.163 -16.115 4.138 218 HD23 LEU 25 HD23 LEU 25 23.821 -14.753 5.203 219 H PHE 26 HN PHE 26 25.269 -15.238 -0.254 220 HA PHE 26 HA PHE 26 23.099 -17.061 -0.618 221 HB2 PHE 26 HB2 PHE 26 24.466 -15.545 -2.829 222 HB3 PHE 26 HB1 PHE 26 22.768 -16.003 -2.698 223 HD1 PHE 26 HD1 PHE 26 21.757 -15.191 -0.250 224 HD2 PHE 26 HD2 PHE 26 24.841 -13.261 -2.534 225 HE1 PHE 26 HE1 PHE 26 21.252 -13.047 0.881 226 HE2 PHE 26 HE2 PHE 26 24.336 -11.115 -1.400 227 HZ PHE 26 HZ PHE 26 22.545 -11.011 0.309 228 H LYS 27 HN LYS 27 26.068 -16.693 -2.557 229 HA LYS 27 HA LYS 27 25.905 -19.003 -4.010 230 HB2 LYS 27 HB2 LYS 27 28.521 -18.020 -2.868 231 HB3 LYS 27 HB1 LYS 27 28.242 -18.821 -4.414 232 HG2 LYS 27 HG2 LYS 27 27.362 -16.034 -3.612 233 HG3 LYS 27 HG1 LYS 27 28.510 -16.470 -4.878 234 HD2 LYS 27 HD2 LYS 27 26.545 -17.795 -5.917 235 HD3 LYS 27 HD1 LYS 27 25.519 -16.850 -4.838 236 HE2 LYS 27 HE2 LYS 27 26.882 -14.815 -5.820 237 HE3 LYS 27 HE1 LYS 27 27.183 -15.929 -7.155 238 HZ1 LYS 27 HZ1 LYS 27 24.848 -14.474 -6.586 239 HZ2 LYS 27 HZ2 LYS 27 24.491 -16.131 -6.477 240 HZ3 LYS 27 HZ3 LYS 27 25.161 -15.496 -7.903 241 H TYR 28 HN TYR 28 26.153 -18.861 -0.640 242 HA TYR 28 HA TYR 28 27.145 -21.649 -0.533 243 HB2 TYR 28 HB2 TYR 28 28.598 -20.829 0.974 244 HB3 TYR 28 HB1 TYR 28 27.710 -19.319 1.139 245 HD1 TYR 28 HD1 TYR 28 27.361 -22.951 2.002 246 HD2 TYR 28 HD2 TYR 28 26.629 -18.881 3.155 247 HE1 TYR 28 HE1 TYR 28 26.425 -23.731 4.163 248 HE2 TYR 28 HE2 TYR 28 25.690 -19.657 5.313 249 HH TYR 28 HH TYR 28 25.988 -22.938 6.369 250 H LEU 29 HN LEU 29 24.718 -19.400 0.784 251 HA LEU 29 HA LEU 29 23.266 -21.689 1.913 252 HB2 LEU 29 HB2 LEU 29 23.726 -19.266 2.986 253 HB3 LEU 29 HB1 LEU 29 22.189 -18.938 2.185 254 HG LEU 29 HG LEU 29 22.722 -21.204 4.128 255 HD11 LEU 29 HD11 LEU 29 21.277 -18.557 4.360 256 HD12 LEU 29 HD12 LEU 29 22.597 -19.164 5.362 257 HD13 LEU 29 HD13 LEU 29 20.995 -19.891 5.480 258 HD21 LEU 29 HD21 LEU 29 21.049 -22.045 2.733 259 HD22 LEU 29 HD22 LEU 29 20.393 -20.444 2.389 260 HD23 LEU 29 HD23 LEU 29 20.091 -21.204 3.952 261 H GLN 30 HN GLN 30 22.823 -19.059 -0.417 262 HA GLN 30 HA GLN 30 20.127 -19.632 -1.063 263 HB2 GLN 30 HB2 GLN 30 21.086 -17.508 -1.655 264 HB3 GLN 30 HB1 GLN 30 22.304 -18.286 -2.657 265 HG2 GLN 30 HG2 GLN 30 20.705 -18.981 -4.261 266 HG3 GLN 30 HG1 GLN 30 19.355 -18.619 -3.182 267 HE21 GLN 30 HE21 GLN 30 20.315 -16.007 -2.284 268 HE22 GLN 30 HE22 GLN 30 20.228 -14.959 -3.614 269 H LYS 31 HN LYS 31 23.031 -21.273 -1.837 270 HA LYS 31 HA LYS 31 21.889 -22.543 -4.212 271 HB2 LYS 31 HB2 LYS 31 24.569 -22.181 -3.091 272 HB3 LYS 31 HB1 LYS 31 24.283 -23.818 -3.680 273 HG2 LYS 31 HG2 LYS 31 25.166 -22.445 -5.496 274 HG3 LYS 31 HG1 LYS 31 23.490 -22.859 -5.847 275 HD2 LYS 31 HD2 LYS 31 23.431 -20.468 -4.316 276 HD3 LYS 31 HD1 LYS 31 24.672 -20.253 -5.551 277 HE2 LYS 31 HE2 LYS 31 23.017 -21.049 -7.265 278 HE3 LYS 31 HE1 LYS 31 21.783 -21.050 -6.005 279 HZ1 LYS 31 HZ1 LYS 31 23.367 -18.708 -6.910 280 HZ2 LYS 31 HZ2 LYS 31 22.247 -18.692 -5.632 281 HZ3 LYS 31 HZ3 LYS 31 21.724 -18.988 -7.222 282 H LYS 32 HN LYS 32 21.473 -22.937 -1.021 283 HA LYS 32 HA LYS 32 21.684 -25.849 -0.946 284 HB2 LYS 32 HB2 LYS 32 20.656 -23.925 1.153 285 HB3 LYS 32 HB1 LYS 32 21.022 -25.630 1.398 286 HG2 LYS 32 HG2 LYS 32 23.063 -23.590 0.464 287 HG3 LYS 32 HG1 LYS 32 22.845 -24.045 2.151 288 HD2 LYS 32 HD2 LYS 32 24.313 -25.715 1.778 289 HD3 LYS 32 HD1 LYS 32 23.065 -26.496 0.811 290 HE2 LYS 32 HE2 LYS 32 23.885 -25.069 -1.147 291 HE3 LYS 32 HE1 LYS 32 25.276 -24.669 -0.142 292 HZ1 LYS 32 HZ1 LYS 32 26.039 -26.815 -0.176 293 HZ2 LYS 32 HZ2 LYS 32 25.362 -26.699 -1.731 294 HZ3 LYS 32 HZ3 LYS 32 24.511 -27.483 -0.486 Start of MODEL 24 1 H1 LYS 1 HT1 LYS 1 21.884 15.312 -1.225 2 H2 LYS 1 HT2 LYS 1 20.530 16.282 -1.559 3 H3 LYS 1 HT3 LYS 1 22.053 16.997 -1.330 4 HA LYS 1 HA LYS 1 20.897 16.108 -3.716 5 HB2 LYS 1 HB2 LYS 1 22.377 18.126 -3.201 6 HB3 LYS 1 HB1 LYS 1 23.745 17.013 -3.251 7 HG2 LYS 1 HG2 LYS 1 23.780 17.389 -5.480 8 HG3 LYS 1 HG1 LYS 1 22.334 16.379 -5.554 9 HD2 LYS 1 HD2 LYS 1 20.961 18.450 -5.127 10 HD3 LYS 1 HD1 LYS 1 22.441 19.396 -5.304 11 HE2 LYS 1 HE2 LYS 1 22.535 17.812 -7.540 12 HE3 LYS 1 HE1 LYS 1 20.799 18.070 -7.364 13 HZ1 LYS 1 HZ1 LYS 1 21.240 19.980 -8.420 14 HZ2 LYS 1 HZ2 LYS 1 22.893 19.952 -8.032 15 HZ3 LYS 1 HZ3 LYS 1 21.762 20.524 -6.901 16 H LYS 2 HN LYS 2 21.333 13.803 -2.100 17 HA LYS 2 HA LYS 2 22.562 12.078 -3.983 18 HB2 LYS 2 HB2 LYS 2 24.671 12.919 -3.204 19 HB3 LYS 2 HB1 LYS 2 24.176 12.759 -1.518 20 HG2 LYS 2 HG2 LYS 2 24.242 10.392 -1.602 21 HG3 LYS 2 HG1 LYS 2 24.257 10.374 -3.366 22 HD2 LYS 2 HD2 LYS 2 26.500 9.883 -2.450 23 HD3 LYS 2 HD1 LYS 2 26.501 11.390 -3.367 24 HE2 LYS 2 HE2 LYS 2 25.932 11.528 -0.433 25 HE3 LYS 2 HE1 LYS 2 27.598 11.261 -0.946 26 HZ1 LYS 2 HZ1 LYS 2 27.408 13.221 -2.375 27 HZ2 LYS 2 HZ2 LYS 2 27.159 13.607 -0.739 28 HZ3 LYS 2 HZ3 LYS 2 25.836 13.493 -1.800 29 H HIS 3 HN HIS 3 22.775 11.885 -0.446 30 HA HIS 3 HA HIS 3 20.368 10.415 -0.084 31 HB2 HIS 3 HB2 HIS 3 21.850 8.771 -1.368 32 HB3 HIS 3 HB1 HIS 3 22.853 8.712 0.081 33 HD2 HIS 3 HD2 HIS 3 21.969 6.040 0.650 34 HE1 HIS 3 HE1 HIS 3 17.981 7.131 1.503 35 HE2 HIS 3 HE2 HIS 3 19.679 5.248 1.625 36 H THR 4 HN THR 4 20.839 8.943 2.106 37 HA THR 4 HA THR 4 21.275 10.888 4.131 38 HB THR 4 HB THR 4 19.779 9.111 4.646 39 HG1 THR 4 HG1 THR 4 20.599 8.559 6.551 40 HG21 THR 4 HG21 THR 4 21.795 7.524 3.267 41 HG22 THR 4 HG22 THR 4 20.090 7.168 3.547 42 HG23 THR 4 HG23 THR 4 21.287 6.766 4.777 43 H ILE 5 HN ILE 5 22.793 8.011 5.029 44 HA ILE 5 HA ILE 5 25.472 9.235 4.736 45 HB ILE 5 HB ILE 5 25.971 7.848 6.852 46 HG12 ILE 5 HG12 ILE 5 23.174 8.221 7.687 47 HG13 ILE 5 HG11 ILE 5 23.384 6.975 6.455 48 HG21 ILE 5 HG21 ILE 5 25.998 10.216 7.015 49 HG22 ILE 5 HG22 ILE 5 24.890 9.692 8.283 50 HG23 ILE 5 HG23 ILE 5 24.255 10.332 6.767 51 HD11 ILE 5 HD11 ILE 5 25.127 7.108 8.916 52 HD12 ILE 5 HD12 ILE 5 24.927 5.760 7.798 53 HD13 ILE 5 HD13 ILE 5 23.612 6.205 8.887 54 H TRP 6 HN TRP 6 23.464 6.432 4.392 55 HA TRP 6 HA TRP 6 25.154 4.303 4.278 56 HB2 TRP 6 HB2 TRP 6 22.659 5.028 3.014 57 HB3 TRP 6 HB1 TRP 6 23.660 4.092 1.904 58 HD1 TRP 6 HD1 TRP 6 22.676 1.737 2.068 59 HE1 TRP 6 HE1 TRP 6 22.258 0.058 3.972 60 HE3 TRP 6 HE3 TRP 6 23.726 4.697 6.083 61 HZ2 TRP 6 HZ2 TRP 6 22.355 -0.018 6.824 62 HZ3 TRP 6 HZ3 TRP 6 23.555 3.800 8.388 63 HH2 TRP 6 HH2 TRP 6 22.871 1.446 8.765 64 H GLU 7 HN GLU 7 24.448 6.220 1.352 65 HA GLU 7 HA GLU 7 26.432 5.246 -0.278 66 HB2 GLU 7 HB2 GLU 7 25.032 7.865 -0.070 67 HB3 GLU 7 HB1 GLU 7 26.415 7.743 -1.156 68 HG2 GLU 7 HG2 GLU 7 24.307 5.614 -1.237 69 HG3 GLU 7 HG1 GLU 7 23.996 7.157 -2.030 70 H VAL 8 HN VAL 8 26.863 7.034 2.595 71 HA VAL 8 HA VAL 8 29.548 7.922 1.812 72 HB VAL 8 HB VAL 8 28.271 8.449 4.484 73 HG11 VAL 8 HG11 VAL 8 29.760 10.346 4.484 74 HG12 VAL 8 HG12 VAL 8 30.191 10.071 2.797 75 HG13 VAL 8 HG13 VAL 8 30.708 8.929 4.035 76 HG21 VAL 8 HG21 VAL 8 26.660 9.137 2.730 77 HG22 VAL 8 HG22 VAL 8 27.936 10.041 1.919 78 HG23 VAL 8 HG23 VAL 8 27.379 10.543 3.515 79 H ILE 9 HN ILE 9 27.910 5.792 4.116 80 HA ILE 9 HA ILE 9 30.536 4.696 4.887 81 HB ILE 9 HB ILE 9 29.647 5.429 6.878 82 HG12 ILE 9 HG12 ILE 9 29.758 2.725 6.650 83 HG13 ILE 9 HG11 ILE 9 29.367 3.561 8.139 84 HG21 ILE 9 HG21 ILE 9 27.177 5.220 7.420 85 HG22 ILE 9 HG22 ILE 9 26.944 4.767 5.728 86 HG23 ILE 9 HG23 ILE 9 27.610 6.345 6.139 87 HD11 ILE 9 HD11 ILE 9 27.036 3.212 7.875 88 HD12 ILE 9 HD12 ILE 9 27.778 1.673 7.443 89 HD13 ILE 9 HD13 ILE 9 27.208 2.758 6.184 90 H ALA 10 HN ALA 10 27.186 3.820 4.105 91 HA ALA 10 HA ALA 10 27.700 1.016 3.966 92 HB1 ALA 10 HB1 ALA 10 25.506 2.621 2.630 93 HB2 ALA 10 HB2 ALA 10 25.436 1.977 4.272 94 HB3 ALA 10 HB3 ALA 10 25.512 0.877 2.897 95 H GLY 11 HN GLY 11 26.865 3.244 1.293 96 HA2 GLY 11 HA2 GLY 11 27.645 1.611 -0.804 97 HA3 GLY 11 HA1 GLY 11 27.686 3.372 -0.863 98 H LEU 12 HN LEU 12 29.519 3.002 1.632 99 HA LEU 12 HA LEU 12 31.992 2.815 0.064 100 HB2 LEU 12 HB2 LEU 12 31.448 4.897 1.437 101 HB3 LEU 12 HB1 LEU 12 31.718 3.899 2.867 102 HG LEU 12 HG LEU 12 33.931 3.301 1.368 103 HD11 LEU 12 HD11 LEU 12 34.814 5.394 0.474 104 HD12 LEU 12 HD12 LEU 12 33.358 6.254 0.977 105 HD13 LEU 12 HD13 LEU 12 33.269 5.039 -0.298 106 HD21 LEU 12 HD21 LEU 12 35.121 4.840 2.915 107 HD22 LEU 12 HD22 LEU 12 33.899 3.886 3.756 108 HD23 LEU 12 HD23 LEU 12 33.577 5.573 3.351 109 H VAL 13 HN VAL 13 30.196 1.342 2.656 110 HA VAL 13 HA VAL 13 32.469 -0.476 3.206 111 HB VAL 13 HB VAL 13 30.081 0.224 4.926 112 HG11 VAL 13 HG11 VAL 13 30.416 -1.988 5.517 113 HG12 VAL 13 HG12 VAL 13 31.606 -1.214 6.563 114 HG13 VAL 13 HG13 VAL 13 32.116 -1.965 5.051 115 HG21 VAL 13 HG21 VAL 13 32.150 1.790 4.688 116 HG22 VAL 13 HG22 VAL 13 33.009 0.540 5.584 117 HG23 VAL 13 HG23 VAL 13 31.626 1.352 6.315 118 H ALA 14 HN ALA 14 28.903 -0.474 2.987 119 HA ALA 14 HA ALA 14 28.386 -3.154 2.965 120 HB1 ALA 14 HB1 ALA 14 26.562 -1.605 2.766 121 HB2 ALA 14 HB2 ALA 14 26.528 -2.626 1.329 122 HB3 ALA 14 HB3 ALA 14 27.177 -0.988 1.233 123 H LEU 15 HN LEU 15 29.357 -1.208 0.139 124 HA LEU 15 HA LEU 15 29.463 -3.344 -1.699 125 HB2 LEU 15 HB2 LEU 15 31.150 -0.827 -1.685 126 HB3 LEU 15 HB1 LEU 15 30.799 -1.849 -3.082 127 HG LEU 15 HG LEU 15 28.734 -0.355 -1.445 128 HD11 LEU 15 HD11 LEU 15 28.765 1.324 -3.011 129 HD12 LEU 15 HD12 LEU 15 29.203 0.230 -4.323 130 HD13 LEU 15 HD13 LEU 15 30.437 0.795 -3.197 131 HD21 LEU 15 HD21 LEU 15 27.410 -1.014 -3.648 132 HD22 LEU 15 HD22 LEU 15 27.538 -2.149 -2.304 133 HD23 LEU 15 HD23 LEU 15 28.595 -2.318 -3.705 134 H LEU 16 HN LEU 16 31.674 -2.163 0.711 135 HA LEU 16 HA LEU 16 33.778 -4.007 -0.161 136 HB2 LEU 16 HB2 LEU 16 33.892 -2.104 2.171 137 HB3 LEU 16 HB1 LEU 16 35.237 -2.817 1.277 138 HG LEU 16 HG LEU 16 33.246 -0.785 0.235 139 HD11 LEU 16 HD11 LEU 16 35.085 0.724 0.166 140 HD12 LEU 16 HD12 LEU 16 36.254 -0.572 0.422 141 HD13 LEU 16 HD13 LEU 16 35.198 -0.064 1.740 142 HD21 LEU 16 HD21 LEU 16 34.885 -0.900 -1.781 143 HD22 LEU 16 HD22 LEU 16 33.672 -2.171 -1.619 144 HD23 LEU 16 HD23 LEU 16 35.339 -2.474 -1.127 145 H THR 17 HN THR 17 31.056 -4.362 1.469 146 HA THR 17 HA THR 17 32.173 -6.455 3.194 147 HB THR 17 HB THR 17 30.380 -4.207 4.108 148 HG1 THR 17 HG1 THR 17 32.795 -5.352 5.053 149 HG21 THR 17 HG21 THR 17 30.770 -6.976 5.234 150 HG22 THR 17 HG22 THR 17 29.264 -6.098 4.971 151 HG23 THR 17 HG23 THR 17 30.347 -5.620 6.277 152 H PHE 18 HN PHE 18 28.944 -5.005 2.855 153 HA PHE 18 HA PHE 18 27.434 -7.279 2.916 154 HB2 PHE 18 HB2 PHE 18 26.738 -4.777 2.640 155 HB3 PHE 18 HB1 PHE 18 26.754 -5.144 0.917 156 HD1 PHE 18 HD2 PHE 18 25.538 -6.645 4.137 157 HD2 PHE 18 HD1 PHE 18 24.774 -5.947 -0.033 158 HE1 PHE 18 HE2 PHE 18 23.322 -7.734 4.360 159 HE2 PHE 18 HE1 PHE 18 22.558 -7.035 0.192 160 HZ PHE 18 HZ PHE 18 21.831 -7.929 2.387 161 H LEU 19 HN LEU 19 28.954 -5.849 0.032 162 HA LEU 19 HA LEU 19 28.068 -7.975 -1.704 163 HB2 LEU 19 HB2 LEU 19 29.919 -5.623 -1.985 164 HB3 LEU 19 HB1 LEU 19 29.870 -6.863 -3.233 165 HG LEU 19 HG LEU 19 28.312 -4.904 -3.625 166 HD11 LEU 19 HD11 LEU 19 26.346 -7.025 -3.371 167 HD12 LEU 19 HD12 LEU 19 27.862 -7.656 -4.009 168 HD13 LEU 19 HD13 LEU 19 27.046 -6.329 -4.831 169 HD21 LEU 19 HD21 LEU 19 26.660 -6.132 -1.415 170 HD22 LEU 19 HD22 LEU 19 26.404 -4.596 -2.244 171 HD23 LEU 19 HD23 LEU 19 27.752 -4.782 -1.127 172 H ALA 20 HN ALA 20 30.819 -7.365 0.329 173 HA ALA 20 HA ALA 20 32.616 -9.193 -0.924 174 HB1 ALA 20 HB1 ALA 20 34.055 -8.760 0.856 175 HB2 ALA 20 HB2 ALA 20 32.733 -8.537 2.003 176 HB3 ALA 20 HB3 ALA 20 33.085 -7.289 0.806 177 H PHE 21 HN PHE 21 30.518 -9.444 1.950 178 HA PHE 21 HA PHE 21 31.057 -12.297 2.155 179 HB2 PHE 21 HB2 PHE 21 29.340 -10.422 3.793 180 HB3 PHE 21 HB1 PHE 21 29.518 -12.144 4.128 181 HD1 PHE 21 HD1 PHE 21 31.286 -8.896 3.975 182 HD2 PHE 21 HD2 PHE 21 31.559 -13.045 5.054 183 HE1 PHE 21 HE1 PHE 21 33.408 -8.444 5.174 184 HE2 PHE 21 HE2 PHE 21 33.681 -12.591 6.255 185 HZ PHE 21 HZ PHE 21 34.606 -10.292 6.313 186 H GLY 22 HN GLY 22 28.542 -10.123 1.065 187 HA2 GLY 22 HA2 GLY 22 26.368 -11.894 0.954 188 HA3 GLY 22 HA1 GLY 22 26.588 -10.496 -0.093 189 H PHE 23 HN PHE 23 28.909 -11.196 -1.439 190 HA PHE 23 HA PHE 23 27.979 -12.711 -3.556 191 HB2 PHE 23 HB2 PHE 23 30.501 -11.565 -2.765 192 HB3 PHE 23 HB1 PHE 23 30.760 -13.158 -3.471 193 HD1 PHE 23 HD1 PHE 23 29.104 -13.619 -5.583 194 HD2 PHE 23 HD2 PHE 23 30.507 -9.778 -4.268 195 HE1 PHE 23 HE1 PHE 23 28.694 -12.694 -7.847 196 HE2 PHE 23 HE2 PHE 23 30.098 -8.852 -6.530 197 HZ PHE 23 HZ PHE 23 29.189 -10.311 -8.320 198 H TRP 24 HN TRP 24 28.983 -13.752 -0.475 199 HA TRP 24 HA TRP 24 29.296 -16.531 -1.403 200 HB2 TRP 24 HB2 TRP 24 31.197 -15.862 -0.120 201 HB3 TRP 24 HB1 TRP 24 30.175 -15.148 1.132 202 HD1 TRP 24 HD1 TRP 24 30.408 -18.611 -0.571 203 HE1 TRP 24 HE1 TRP 24 30.181 -20.424 1.255 204 HE3 TRP 24 HE3 TRP 24 29.856 -15.648 3.532 205 HZ2 TRP 24 HZ2 TRP 24 29.813 -20.584 4.083 206 HZ3 TRP 24 HZ3 TRP 24 29.568 -16.649 5.784 207 HH2 TRP 24 HH2 TRP 24 29.545 -19.112 6.064 208 H LEU 25 HN LEU 25 28.188 -15.002 1.605 209 HA LEU 25 HA LEU 25 26.621 -16.723 2.796 210 HB2 LEU 25 HB2 LEU 25 26.192 -13.849 2.236 211 HB3 LEU 25 HB1 LEU 25 24.806 -14.738 2.867 212 HG LEU 25 HG LEU 25 27.523 -15.014 4.132 213 HD11 LEU 25 HD11 LEU 25 25.441 -12.875 4.641 214 HD12 LEU 25 HD12 LEU 25 27.122 -12.634 4.163 215 HD13 LEU 25 HD13 LEU 25 26.742 -13.256 5.769 216 HD21 LEU 25 HD21 LEU 25 25.134 -16.316 4.545 217 HD22 LEU 25 HD22 LEU 25 25.053 -15.026 5.744 218 HD23 LEU 25 HD23 LEU 25 26.407 -16.156 5.754 219 H PHE 26 HN PHE 26 25.208 -14.850 0.092 220 HA PHE 26 HA PHE 26 22.923 -16.572 -0.055 221 HB2 PHE 26 HB2 PHE 26 23.853 -14.701 -2.227 222 HB3 PHE 26 HB1 PHE 26 22.204 -15.188 -1.829 223 HD1 PHE 26 HD2 PHE 26 21.647 -14.794 0.809 224 HD2 PHE 26 HD1 PHE 26 24.450 -12.549 -1.547 225 HE1 PHE 26 HE2 PHE 26 21.453 -12.894 2.389 226 HE2 PHE 26 HE1 PHE 26 24.256 -10.649 0.033 227 HZ PHE 26 HZ PHE 26 22.765 -10.826 2.002 228 H LYS 27 HN LYS 27 25.601 -15.996 -2.356 229 HA LYS 27 HA LYS 27 24.953 -17.991 -4.172 230 HB2 LYS 27 HB2 LYS 27 27.790 -17.244 -3.466 231 HB3 LYS 27 HB1 LYS 27 27.162 -17.778 -5.025 232 HG2 LYS 27 HG2 LYS 27 26.558 -15.157 -3.623 233 HG3 LYS 27 HG1 LYS 27 27.461 -15.377 -5.121 234 HD2 LYS 27 HD2 LYS 27 25.304 -16.499 -6.017 235 HD3 LYS 27 HD1 LYS 27 24.508 -15.742 -4.636 236 HE2 LYS 27 HE2 LYS 27 26.161 -14.243 -6.692 237 HE3 LYS 27 HE1 LYS 27 24.400 -14.331 -6.693 238 HZ1 LYS 27 HZ1 LYS 27 24.233 -12.957 -4.936 239 HZ2 LYS 27 HZ2 LYS 27 25.752 -12.413 -5.469 240 HZ3 LYS 27 HZ3 LYS 27 25.646 -13.531 -4.193 241 H TYR 28 HN TYR 28 25.656 -18.500 -0.967 242 HA TYR 28 HA TYR 28 26.562 -21.268 -1.515 243 HB2 TYR 28 HB2 TYR 28 28.364 -20.802 -0.264 244 HB3 TYR 28 HB1 TYR 28 27.698 -19.260 0.263 245 HD1 TYR 28 HD2 TYR 28 27.242 -22.938 0.783 246 HD2 TYR 28 HD1 TYR 28 27.046 -19.005 2.494 247 HE1 TYR 28 HE2 TYR 28 26.721 -23.928 3.000 248 HE2 TYR 28 HE1 TYR 28 26.525 -19.992 4.708 249 HH TYR 28 HH TYR 28 25.664 -23.282 5.096 250 H LEU 29 HN LEU 29 24.854 -19.199 0.826 251 HA LEU 29 HA LEU 29 23.502 -21.478 1.988 252 HB2 LEU 29 HB2 LEU 29 24.245 -19.201 3.098 253 HB3 LEU 29 HB1 LEU 29 22.679 -18.647 2.515 254 HG LEU 29 HG LEU 29 23.105 -21.111 4.240 255 HD11 LEU 29 HD11 LEU 29 22.138 -18.326 4.939 256 HD12 LEU 29 HD12 LEU 29 23.620 -19.096 5.505 257 HD13 LEU 29 HD13 LEU 29 22.051 -19.717 6.018 258 HD21 LEU 29 HD21 LEU 29 20.732 -19.820 2.943 259 HD22 LEU 29 HD22 LEU 29 20.519 -20.513 4.548 260 HD23 LEU 29 HD23 LEU 29 21.067 -21.529 3.218 261 H GLN 30 HN GLN 30 22.628 -18.700 -0.043 262 HA GLN 30 HA GLN 30 19.873 -19.535 -0.264 263 HB2 GLN 30 HB2 GLN 30 20.340 -17.180 -0.359 264 HB3 GLN 30 HB1 GLN 30 21.487 -17.409 -1.677 265 HG2 GLN 30 HG2 GLN 30 19.835 -17.790 -3.249 266 HG3 GLN 30 HG1 GLN 30 18.678 -18.365 -2.048 267 HE21 GLN 30 HE21 GLN 30 20.307 -15.465 -1.101 268 HE22 GLN 30 HE22 GLN 30 19.053 -14.387 -1.482 269 H LYS 31 HN LYS 31 22.730 -20.573 -1.668 270 HA LYS 31 HA LYS 31 21.308 -21.577 -4.065 271 HB2 LYS 31 HB2 LYS 31 24.043 -20.487 -3.678 272 HB3 LYS 31 HB1 LYS 31 23.876 -21.855 -4.780 273 HG2 LYS 31 HG2 LYS 31 23.626 -19.675 -5.952 274 HG3 LYS 31 HG1 LYS 31 22.164 -20.657 -6.055 275 HD2 LYS 31 HD2 LYS 31 20.965 -19.268 -4.674 276 HD3 LYS 31 HD1 LYS 31 22.382 -18.802 -3.733 277 HE2 LYS 31 HE2 LYS 31 23.171 -17.404 -5.606 278 HE3 LYS 31 HE1 LYS 31 21.760 -17.874 -6.554 279 HZ1 LYS 31 HZ1 LYS 31 20.373 -16.614 -5.296 280 HZ2 LYS 31 HZ2 LYS 31 21.789 -15.693 -5.110 281 HZ3 LYS 31 HZ3 LYS 31 21.304 -16.768 -3.888 282 H LYS 32 HN LYS 32 23.809 -22.344 -1.652 283 HA LYS 32 HA LYS 32 24.588 -24.359 -0.856 284 HB2 LYS 32 HB2 LYS 32 21.719 -24.481 -0.948 285 HB3 LYS 32 HB1 LYS 32 22.380 -26.071 -1.317 286 HG2 LYS 32 HG2 LYS 32 22.111 -25.891 1.089 287 HG3 LYS 32 HG1 LYS 32 23.832 -25.891 0.719 288 HD2 LYS 32 HD2 LYS 32 24.114 -23.791 1.506 289 HD3 LYS 32 HD1 LYS 32 22.642 -23.208 0.729 290 HE2 LYS 32 HE2 LYS 32 22.676 -23.222 3.306 291 HE3 LYS 32 HE1 LYS 32 21.272 -23.944 2.521 292 HZ1 LYS 32 HZ1 LYS 32 21.741 -25.728 3.744 293 HZ2 LYS 32 HZ2 LYS 32 23.296 -25.170 4.144 294 HZ3 LYS 32 HZ3 LYS 32 23.037 -25.997 2.682 Start of MODEL 25 1 H1 LYS 1 HT1 LYS 1 21.510 16.329 -2.993 2 H2 LYS 1 HT2 LYS 1 21.541 17.938 -2.449 3 H3 LYS 1 HT3 LYS 1 21.560 16.660 -1.330 4 HA LYS 1 HA LYS 1 23.705 17.224 -3.303 5 HB2 LYS 1 HB2 LYS 1 24.796 17.571 -0.823 6 HB3 LYS 1 HB1 LYS 1 24.178 18.888 -1.819 7 HG2 LYS 1 HG2 LYS 1 22.050 18.847 -0.702 8 HG3 LYS 1 HG1 LYS 1 22.455 17.349 0.137 9 HD2 LYS 1 HD2 LYS 1 23.975 18.411 1.572 10 HD3 LYS 1 HD1 LYS 1 24.179 19.789 0.492 11 HE2 LYS 1 HE2 LYS 1 21.612 19.138 1.967 12 HE3 LYS 1 HE1 LYS 1 22.796 20.331 2.503 13 HZ1 LYS 1 HZ1 LYS 1 20.852 20.493 0.379 14 HZ2 LYS 1 HZ2 LYS 1 22.401 21.034 -0.061 15 HZ3 LYS 1 HZ3 LYS 1 21.597 21.732 1.264 16 H LYS 2 HN LYS 2 22.636 15.468 -0.394 17 HA LYS 2 HA LYS 2 23.959 13.062 -1.342 18 HB2 LYS 2 HB2 LYS 2 25.724 14.339 -0.075 19 HB3 LYS 2 HB1 LYS 2 24.706 14.210 1.355 20 HG2 LYS 2 HG2 LYS 2 26.309 12.403 1.434 21 HG3 LYS 2 HG1 LYS 2 24.731 11.708 1.074 22 HD2 LYS 2 HD2 LYS 2 25.415 10.950 -0.946 23 HD3 LYS 2 HD1 LYS 2 26.205 12.476 -1.345 24 HE2 LYS 2 HE2 LYS 2 27.357 10.388 0.522 25 HE3 LYS 2 HE1 LYS 2 27.814 10.577 -1.171 26 HZ1 LYS 2 HZ1 LYS 2 29.200 12.183 -0.595 27 HZ2 LYS 2 HZ2 LYS 2 28.794 11.966 1.039 28 HZ3 LYS 2 HZ3 LYS 2 27.935 13.080 0.087 29 H HIS 3 HN HIS 3 22.689 11.391 -0.920 30 HA HIS 3 HA HIS 3 20.209 11.399 0.165 31 HB2 HIS 3 HB2 HIS 3 20.954 9.423 -0.919 32 HB3 HIS 3 HB1 HIS 3 22.302 9.227 0.201 33 HD2 HIS 3 HD2 HIS 3 21.282 6.714 1.106 34 HE1 HIS 3 HE1 HIS 3 17.829 8.315 2.929 35 HE2 HIS 3 HE2 HIS 3 19.240 6.223 2.659 36 H THR 4 HN THR 4 22.939 10.093 2.046 37 HA THR 4 HA THR 4 22.362 11.661 4.367 38 HB THR 4 HB THR 4 20.472 10.150 4.593 39 HG1 THR 4 HG1 THR 4 21.827 8.873 6.462 40 HG21 THR 4 HG21 THR 4 22.102 7.721 4.951 41 HG22 THR 4 HG22 THR 4 22.025 8.305 3.294 42 HG23 THR 4 HG23 THR 4 20.544 7.924 4.166 43 H ILE 5 HN ILE 5 23.197 8.902 5.762 44 HA ILE 5 HA ILE 5 26.051 9.518 5.561 45 HB ILE 5 HB ILE 5 26.133 7.775 7.464 46 HG12 ILE 5 HG12 ILE 5 23.322 8.471 8.046 47 HG13 ILE 5 HG11 ILE 5 23.547 7.326 6.723 48 HG21 ILE 5 HG21 ILE 5 25.112 9.559 9.055 49 HG22 ILE 5 HG22 ILE 5 24.856 10.501 7.586 50 HG23 ILE 5 HG23 ILE 5 26.488 10.027 8.056 51 HD11 ILE 5 HD11 ILE 5 24.770 7.049 9.478 52 HD12 ILE 5 HD12 ILE 5 24.912 5.892 8.154 53 HD13 ILE 5 HD13 ILE 5 23.343 6.177 8.912 54 H TRP 6 HN TRP 6 23.745 7.003 4.788 55 HA TRP 6 HA TRP 6 25.207 4.748 4.431 56 HB2 TRP 6 HB2 TRP 6 22.835 5.874 3.239 57 HB3 TRP 6 HB1 TRP 6 23.762 4.989 2.028 58 HD1 TRP 6 HD1 TRP 6 22.550 2.745 1.876 59 HE1 TRP 6 HE1 TRP 6 21.922 0.887 3.542 60 HE3 TRP 6 HE3 TRP 6 23.787 5.049 6.253 61 HZ2 TRP 6 HZ2 TRP 6 21.944 0.439 6.362 62 HZ3 TRP 6 HZ3 TRP 6 23.475 3.886 8.419 63 HH2 TRP 6 HH2 TRP 6 22.554 1.584 8.480 64 H GLU 7 HN GLU 7 24.745 6.947 1.665 65 HA GLU 7 HA GLU 7 26.713 5.968 0.023 66 HB2 GLU 7 HB2 GLU 7 25.581 8.711 0.412 67 HB3 GLU 7 HB1 GLU 7 26.899 8.459 -0.731 68 HG2 GLU 7 HG2 GLU 7 24.467 8.249 -1.611 69 HG3 GLU 7 HG1 GLU 7 25.625 7.003 -2.069 70 H VAL 8 HN VAL 8 27.194 7.403 3.055 71 HA VAL 8 HA VAL 8 29.959 8.178 2.422 72 HB VAL 8 HB VAL 8 28.694 8.581 5.111 73 HG11 VAL 8 HG11 VAL 8 30.412 10.544 3.659 74 HG12 VAL 8 HG12 VAL 8 31.173 9.070 4.258 75 HG13 VAL 8 HG13 VAL 8 30.356 10.158 5.379 76 HG21 VAL 8 HG21 VAL 8 28.314 10.338 2.662 77 HG22 VAL 8 HG22 VAL 8 27.821 10.755 4.302 78 HG23 VAL 8 HG23 VAL 8 27.041 9.415 3.463 79 H ILE 9 HN ILE 9 28.068 5.988 4.455 80 HA ILE 9 HA ILE 9 30.572 4.631 5.229 81 HB ILE 9 HB ILE 9 29.714 5.212 7.262 82 HG12 ILE 9 HG12 ILE 9 29.437 2.558 6.786 83 HG13 ILE 9 HG11 ILE 9 29.078 3.306 8.328 84 HG21 ILE 9 HG21 ILE 9 27.216 5.324 7.710 85 HG22 ILE 9 HG22 ILE 9 26.998 5.098 5.972 86 HG23 ILE 9 HG23 ILE 9 27.876 6.500 6.580 87 HD11 ILE 9 HD11 ILE 9 26.945 3.029 6.209 88 HD12 ILE 9 HD12 ILE 9 26.746 3.324 7.930 89 HD13 ILE 9 HD13 ILE 9 27.282 1.744 7.361 90 H ALA 10 HN ALA 10 27.209 4.134 4.239 91 HA ALA 10 HA ALA 10 27.476 1.310 3.877 92 HB1 ALA 10 HB1 ALA 10 25.487 3.224 2.633 93 HB2 ALA 10 HB2 ALA 10 25.290 2.422 4.191 94 HB3 ALA 10 HB3 ALA 10 25.333 1.469 2.710 95 H GLY 11 HN GLY 11 26.933 3.819 1.387 96 HA2 GLY 11 HA2 GLY 11 27.670 2.313 -0.820 97 HA3 GLY 11 HA1 GLY 11 27.852 4.066 -0.720 98 H LEU 12 HN LEU 12 29.544 3.345 1.793 99 HA LEU 12 HA LEU 12 32.061 3.089 0.306 100 HB2 LEU 12 HB2 LEU 12 31.607 5.071 1.863 101 HB3 LEU 12 HB1 LEU 12 31.767 3.920 3.190 102 HG LEU 12 HG LEU 12 33.984 3.273 1.819 103 HD11 LEU 12 HD11 LEU 12 33.534 4.957 0.058 104 HD12 LEU 12 HD12 LEU 12 35.030 5.311 0.924 105 HD13 LEU 12 HD13 LEU 12 33.567 6.229 1.279 106 HD21 LEU 12 HD21 LEU 12 33.677 5.623 3.717 107 HD22 LEU 12 HD22 LEU 12 35.204 4.820 3.350 108 HD23 LEU 12 HD23 LEU 12 33.920 3.937 4.177 109 H VAL 13 HN VAL 13 30.040 1.555 2.689 110 HA VAL 13 HA VAL 13 32.106 -0.531 3.092 111 HB VAL 13 HB VAL 13 29.808 0.222 4.914 112 HG11 VAL 13 HG11 VAL 13 30.072 -1.882 5.688 113 HG12 VAL 13 HG12 VAL 13 31.656 -1.369 6.269 114 HG13 VAL 13 HG13 VAL 13 31.502 -2.140 4.690 115 HG21 VAL 13 HG21 VAL 13 31.357 1.329 6.254 116 HG22 VAL 13 HG22 VAL 13 32.012 1.684 4.655 117 HG23 VAL 13 HG23 VAL 13 32.716 0.396 5.631 118 H ALA 14 HN ALA 14 28.555 -0.118 3.033 119 HA ALA 14 HA ALA 14 27.741 -2.709 2.770 120 HB1 ALA 14 HB1 ALA 14 26.181 -0.808 2.805 121 HB2 ALA 14 HB2 ALA 14 25.839 -1.874 1.443 122 HB3 ALA 14 HB3 ALA 14 26.693 -0.352 1.180 123 H LEU 15 HN LEU 15 28.884 -0.606 0.130 124 HA LEU 15 HA LEU 15 28.652 -2.569 -1.900 125 HB2 LEU 15 HB2 LEU 15 28.879 -0.132 -2.351 126 HB3 LEU 15 HB1 LEU 15 30.540 -0.199 -1.769 127 HG LEU 15 HG LEU 15 31.082 -1.853 -3.539 128 HD11 LEU 15 HD11 LEU 15 29.177 -3.014 -4.142 129 HD12 LEU 15 HD12 LEU 15 29.191 -1.805 -5.426 130 HD13 LEU 15 HD13 LEU 15 28.144 -1.589 -4.024 131 HD21 LEU 15 HD21 LEU 15 31.667 -0.011 -4.692 132 HD22 LEU 15 HD22 LEU 15 30.400 0.920 -3.890 133 HD23 LEU 15 HD23 LEU 15 30.042 0.043 -5.378 134 H LEU 16 HN LEU 16 31.097 -1.818 0.473 135 HA LEU 16 HA LEU 16 32.977 -3.734 -0.696 136 HB2 LEU 16 HB2 LEU 16 33.369 -2.129 1.826 137 HB3 LEU 16 HB1 LEU 16 34.602 -2.846 0.786 138 HG LEU 16 HG LEU 16 32.766 -0.537 0.095 139 HD11 LEU 16 HD11 LEU 16 35.782 -0.584 0.067 140 HD12 LEU 16 HD12 LEU 16 34.894 -0.236 1.550 141 HD13 LEU 16 HD13 LEU 16 34.704 0.810 0.143 142 HD21 LEU 16 HD21 LEU 16 32.968 -1.735 -1.926 143 HD22 LEU 16 HD22 LEU 16 34.623 -2.232 -1.571 144 HD23 LEU 16 HD23 LEU 16 34.280 -0.559 -2.017 145 H THR 17 HN THR 17 30.313 -4.004 1.091 146 HA THR 17 HA THR 17 31.399 -6.230 2.704 147 HB THR 17 HB THR 17 29.479 -4.070 3.456 148 HG1 THR 17 HG1 THR 17 30.840 -3.888 5.072 149 HG21 THR 17 HG21 THR 17 29.398 -6.947 4.354 150 HG22 THR 17 HG22 THR 17 28.056 -5.908 3.870 151 HG23 THR 17 HG23 THR 17 28.863 -5.643 5.414 152 H PHE 18 HN PHE 18 28.276 -4.952 1.541 153 HA PHE 18 HA PHE 18 26.727 -7.171 1.529 154 HB2 PHE 18 HB2 PHE 18 26.308 -4.768 0.549 155 HB3 PHE 18 HB1 PHE 18 26.757 -5.529 -0.978 156 HD1 PHE 18 HD2 PHE 18 24.489 -5.914 1.968 157 HD2 PHE 18 HD1 PHE 18 25.200 -6.846 -2.164 158 HE1 PHE 18 HE2 PHE 18 22.227 -6.917 1.806 159 HE2 PHE 18 HE1 PHE 18 22.938 -7.849 -2.326 160 HZ PHE 18 HZ PHE 18 21.451 -7.885 -0.342 161 H LEU 19 HN LEU 19 29.000 -6.312 -1.087 162 HA LEU 19 HA LEU 19 28.563 -8.695 -2.582 163 HB2 LEU 19 HB2 LEU 19 30.683 -6.561 -2.587 164 HB3 LEU 19 HB1 LEU 19 30.859 -7.997 -3.591 165 HG LEU 19 HG LEU 19 29.757 -6.036 -4.749 166 HD11 LEU 19 HD11 LEU 19 28.714 -7.541 -6.066 167 HD12 LEU 19 HD12 LEU 19 27.550 -7.932 -4.801 168 HD13 LEU 19 HD13 LEU 19 29.103 -8.763 -4.856 169 HD21 LEU 19 HD21 LEU 19 27.565 -5.347 -4.113 170 HD22 LEU 19 HD22 LEU 19 28.494 -5.395 -2.615 171 HD23 LEU 19 HD23 LEU 19 27.381 -6.708 -3.005 172 H ALA 20 HN ALA 20 31.346 -7.687 -0.575 173 HA ALA 20 HA ALA 20 32.887 -9.933 -0.667 174 HB1 ALA 20 HB1 ALA 20 33.649 -8.075 0.617 175 HB2 ALA 20 HB2 ALA 20 33.487 -9.420 1.747 176 HB3 ALA 20 HB3 ALA 20 32.254 -8.161 1.693 177 H PHE 21 HN PHE 21 30.260 -9.419 1.705 178 HA PHE 21 HA PHE 21 30.367 -12.154 2.597 179 HB2 PHE 21 HB2 PHE 21 28.470 -9.870 3.147 180 HB3 PHE 21 HB1 PHE 21 28.266 -11.476 3.847 181 HD1 PHE 21 HD1 PHE 21 30.811 -8.758 3.443 182 HD2 PHE 21 HD2 PHE 21 29.400 -12.044 5.820 183 HE1 PHE 21 HE1 PHE 21 32.481 -8.209 5.191 184 HE2 PHE 21 HE2 PHE 21 31.069 -11.495 7.570 185 HZ PHE 21 HZ PHE 21 32.610 -9.577 7.254 186 H GLY 22 HN GLY 22 28.227 -10.233 0.524 187 HA2 GLY 22 HA2 GLY 22 26.167 -12.053 0.118 188 HA3 GLY 22 HA1 GLY 22 26.704 -10.878 -1.080 189 H PHE 23 HN PHE 23 29.165 -11.692 -1.783 190 HA PHE 23 HA PHE 23 28.802 -13.646 -3.667 191 HB2 PHE 23 HB2 PHE 23 31.063 -12.271 -2.507 192 HB3 PHE 23 HB1 PHE 23 31.474 -13.951 -2.853 193 HD1 PHE 23 HD2 PHE 23 30.401 -14.819 -5.189 194 HD2 PHE 23 HD1 PHE 23 31.408 -10.751 -4.244 195 HE1 PHE 23 HE2 PHE 23 30.557 -14.295 -7.609 196 HE2 PHE 23 HE1 PHE 23 31.564 -10.228 -6.662 197 HZ PHE 23 HZ PHE 23 31.139 -12.001 -8.344 198 H TRP 24 HN TRP 24 29.118 -14.034 -0.278 199 HA TRP 24 HA TRP 24 29.596 -16.925 -0.560 200 HB2 TRP 24 HB2 TRP 24 31.148 -15.932 0.969 201 HB3 TRP 24 HB1 TRP 24 29.859 -15.062 1.801 202 HD1 TRP 24 HD1 TRP 24 30.522 -18.756 0.879 203 HE1 TRP 24 HE1 TRP 24 29.901 -20.219 2.913 204 HE3 TRP 24 HE3 TRP 24 28.990 -15.138 4.116 205 HZ2 TRP 24 HZ2 TRP 24 28.889 -19.887 5.563 206 HZ3 TRP 24 HZ3 TRP 24 28.199 -15.731 6.393 207 HH2 TRP 24 HH2 TRP 24 28.148 -18.101 7.119 208 H LEU 25 HN LEU 25 27.846 -14.932 1.791 209 HA LEU 25 HA LEU 25 26.028 -16.446 2.889 210 HB2 LEU 25 HB2 LEU 25 25.783 -13.737 1.730 211 HB3 LEU 25 HB1 LEU 25 24.270 -14.534 2.163 212 HG LEU 25 HG LEU 25 26.614 -14.484 4.058 213 HD11 LEU 25 HD11 LEU 25 25.649 -12.490 5.106 214 HD12 LEU 25 HD12 LEU 25 24.378 -12.441 3.884 215 HD13 LEU 25 HD13 LEU 25 26.055 -12.144 3.427 216 HD21 LEU 25 HD21 LEU 25 25.171 -15.445 5.520 217 HD22 LEU 25 HD22 LEU 25 24.163 -15.783 4.114 218 HD23 LEU 25 HD23 LEU 25 23.867 -14.341 5.084 219 H PHE 26 HN PHE 26 25.268 -15.145 -0.360 220 HA PHE 26 HA PHE 26 23.056 -16.931 -0.675 221 HB2 PHE 26 HB2 PHE 26 24.467 -15.503 -2.920 222 HB3 PHE 26 HB1 PHE 26 22.761 -15.935 -2.794 223 HD1 PHE 26 HD1 PHE 26 21.706 -15.040 -0.415 224 HD2 PHE 26 HD2 PHE 26 24.907 -13.229 -2.634 225 HE1 PHE 26 HE1 PHE 26 21.221 -12.864 0.662 226 HE2 PHE 26 HE2 PHE 26 24.421 -11.051 -1.556 227 HZ PHE 26 HZ PHE 26 22.584 -10.871 0.095 228 H LYS 27 HN LYS 27 26.159 -16.726 -2.433 229 HA LYS 27 HA LYS 27 25.912 -19.050 -3.915 230 HB2 LYS 27 HB2 LYS 27 28.527 -18.092 -2.749 231 HB3 LYS 27 HB1 LYS 27 28.266 -18.945 -4.269 232 HG2 LYS 27 HG2 LYS 27 27.379 -16.123 -3.599 233 HG3 LYS 27 HG1 LYS 27 28.611 -16.597 -4.768 234 HD2 LYS 27 HD2 LYS 27 26.700 -17.972 -5.875 235 HD3 LYS 27 HD1 LYS 27 25.627 -16.937 -4.933 236 HE2 LYS 27 HE2 LYS 27 27.299 -15.067 -5.967 237 HE3 LYS 27 HE1 LYS 27 27.332 -16.265 -7.263 238 HZ1 LYS 27 HZ1 LYS 27 25.268 -15.755 -7.851 239 HZ2 LYS 27 HZ2 LYS 27 25.386 -14.397 -6.835 240 HZ3 LYS 27 HZ3 LYS 27 24.696 -15.838 -6.256 241 H TYR 28 HN TYR 28 25.919 -18.909 -0.584 242 HA TYR 28 HA TYR 28 26.893 -21.703 -0.382 243 HB2 TYR 28 HB2 TYR 28 28.388 -20.921 1.099 244 HB3 TYR 28 HB1 TYR 28 27.607 -19.345 1.174 245 HD1 TYR 28 HD1 TYR 28 27.038 -22.886 2.261 246 HD2 TYR 28 HD2 TYR 28 26.549 -18.715 3.157 247 HE1 TYR 28 HE1 TYR 28 26.072 -23.475 4.471 248 HE2 TYR 28 HE2 TYR 28 25.582 -19.301 5.364 249 HH TYR 28 HH TYR 28 25.352 -22.694 6.427 250 H LEU 29 HN LEU 29 24.672 -19.299 1.028 251 HA LEU 29 HA LEU 29 23.112 -21.410 2.286 252 HB2 LEU 29 HB2 LEU 29 23.632 -18.915 3.096 253 HB3 LEU 29 HB1 LEU 29 22.144 -18.593 2.208 254 HG LEU 29 HG LEU 29 22.462 -20.678 4.390 255 HD11 LEU 29 HD11 LEU 29 20.910 -19.110 5.627 256 HD12 LEU 29 HD12 LEU 29 21.215 -17.920 4.361 257 HD13 LEU 29 HD13 LEU 29 22.541 -18.487 5.378 258 HD21 LEU 29 HD21 LEU 29 19.827 -20.390 4.163 259 HD22 LEU 29 HD22 LEU 29 20.703 -21.504 3.117 260 HD23 LEU 29 HD23 LEU 29 20.247 -19.910 2.520 261 H GLN 30 HN GLN 30 22.787 -19.108 -0.372 262 HA GLN 30 HA GLN 30 20.084 -19.964 -0.977 263 HB2 GLN 30 HB2 GLN 30 20.610 -17.666 -1.403 264 HB3 GLN 30 HB1 GLN 30 22.015 -18.108 -2.370 265 HG2 GLN 30 HG2 GLN 30 20.727 -18.865 -4.157 266 HG3 GLN 30 HG1 GLN 30 19.297 -19.104 -3.154 267 HE21 GLN 30 HE21 GLN 30 20.819 -16.125 -2.412 268 HE22 GLN 30 HE22 GLN 30 19.816 -15.122 -3.343 269 H LYS 31 HN LYS 31 23.112 -21.251 -1.533 270 HA LYS 31 HA LYS 31 22.212 -22.620 -4.001 271 HB2 LYS 31 HB2 LYS 31 24.843 -21.539 -3.152 272 HB3 LYS 31 HB1 LYS 31 24.860 -23.075 -4.019 273 HG2 LYS 31 HG2 LYS 31 25.018 -21.097 -5.542 274 HG3 LYS 31 HG1 LYS 31 23.604 -22.101 -5.863 275 HD2 LYS 31 HD2 LYS 31 22.126 -20.529 -5.041 276 HD3 LYS 31 HD1 LYS 31 23.304 -19.858 -3.911 277 HE2 LYS 31 HE2 LYS 31 24.517 -18.819 -5.787 278 HE3 LYS 31 HE1 LYS 31 23.355 -19.501 -6.923 279 HZ1 LYS 31 HZ1 LYS 31 22.675 -17.639 -4.713 280 HZ2 LYS 31 HZ2 LYS 31 21.606 -18.243 -5.887 281 HZ3 LYS 31 HZ3 LYS 31 22.860 -17.187 -6.337 282 H LYS 32 HN LYS 32 21.983 -23.205 -0.951 283 HA LYS 32 HA LYS 32 23.353 -25.800 -0.869 284 HB2 LYS 32 HB2 LYS 32 22.676 -25.857 1.485 285 HB3 LYS 32 HB1 LYS 32 23.502 -24.342 1.117 286 HG2 LYS 32 HG2 LYS 32 21.701 -23.326 2.033 287 HG3 LYS 32 HG1 LYS 32 20.861 -23.754 0.542 288 HD2 LYS 32 HD2 LYS 32 20.267 -25.963 1.615 289 HD3 LYS 32 HD1 LYS 32 20.919 -25.330 3.128 290 HE2 LYS 32 HE2 LYS 32 19.226 -23.306 2.185 291 HE3 LYS 32 HE1 LYS 32 18.346 -24.804 1.877 292 HZ1 LYS 32 HZ1 LYS 32 19.223 -23.649 4.420 293 HZ2 LYS 32 HZ2 LYS 32 19.173 -25.342 4.289 294 HZ3 LYS 32 HZ3 LYS 32 17.767 -24.425 4.031 Start of MODEL 26 1 H1 LYS 1 HT1 LYS 1 27.572 17.622 -0.523 2 H2 LYS 1 HT2 LYS 1 27.635 18.957 0.526 3 H3 LYS 1 HT3 LYS 1 26.900 19.105 -0.998 4 HA LYS 1 HA LYS 1 25.925 17.643 1.379 5 HB2 LYS 1 HB2 LYS 1 25.303 20.001 1.212 6 HB3 LYS 1 HB1 LYS 1 24.747 19.761 -0.445 7 HG2 LYS 1 HG2 LYS 1 22.796 18.785 0.213 8 HG3 LYS 1 HG1 LYS 1 23.565 17.921 1.544 9 HD2 LYS 1 HD2 LYS 1 23.540 19.876 2.940 10 HD3 LYS 1 HD1 LYS 1 23.058 20.905 1.591 11 HE2 LYS 1 HE2 LYS 1 21.176 20.264 3.167 12 HE3 LYS 1 HE1 LYS 1 20.890 19.870 1.471 13 HZ1 LYS 1 HZ1 LYS 1 20.482 18.100 3.303 14 HZ2 LYS 1 HZ2 LYS 1 22.163 17.882 3.221 15 HZ3 LYS 1 HZ3 LYS 1 21.205 17.644 1.838 16 H LYS 2 HN LYS 2 25.669 15.553 0.737 17 HA LYS 2 HA LYS 2 23.818 15.081 -1.496 18 HB2 LYS 2 HB2 LYS 2 25.268 13.104 -2.166 19 HB3 LYS 2 HB1 LYS 2 25.918 14.696 -2.558 20 HG2 LYS 2 HG2 LYS 2 27.712 14.372 -1.231 21 HG3 LYS 2 HG1 LYS 2 26.692 13.885 0.123 22 HD2 LYS 2 HD2 LYS 2 26.526 11.612 -0.799 23 HD3 LYS 2 HD1 LYS 2 27.511 12.091 -2.182 24 HE2 LYS 2 HE2 LYS 2 28.376 12.044 0.723 25 HE3 LYS 2 HE1 LYS 2 28.941 10.977 -0.562 26 HZ1 LYS 2 HZ1 LYS 2 29.348 13.911 -0.388 27 HZ2 LYS 2 HZ2 LYS 2 29.784 12.960 -1.725 28 HZ3 LYS 2 HZ3 LYS 2 30.535 12.712 -0.222 29 H HIS 3 HN HIS 3 22.305 13.598 -1.019 30 HA HIS 3 HA HIS 3 21.018 12.275 0.381 31 HB2 HIS 3 HB2 HIS 3 22.587 10.718 -0.873 32 HB3 HIS 3 HB1 HIS 3 23.573 10.680 0.589 33 HD2 HIS 3 HD2 HIS 3 22.689 7.869 0.761 34 HE1 HIS 3 HE1 HIS 3 18.845 8.918 2.154 35 HE2 HIS 3 HE2 HIS 3 20.482 7.000 1.853 36 H THR 4 HN THR 4 22.968 10.591 2.298 37 HA THR 4 HA THR 4 22.986 12.591 4.478 38 HB THR 4 HB THR 4 21.115 11.167 4.939 39 HG1 THR 4 HG1 THR 4 22.924 9.794 6.488 40 HG21 THR 4 HG21 THR 4 22.243 8.582 5.187 41 HG22 THR 4 HG22 THR 4 22.748 9.198 3.613 42 HG23 THR 4 HG23 THR 4 21.035 9.119 4.024 43 H ILE 5 HN ILE 5 23.819 9.537 5.521 44 HA ILE 5 HA ILE 5 26.700 10.139 5.245 45 HB ILE 5 HB ILE 5 26.842 8.587 7.298 46 HG12 ILE 5 HG12 ILE 5 24.140 9.474 8.066 47 HG13 ILE 5 HG11 ILE 5 24.156 8.256 6.791 48 HG21 ILE 5 HG21 ILE 5 26.158 10.524 8.805 49 HG22 ILE 5 HG22 ILE 5 25.612 11.351 7.345 50 HG23 ILE 5 HG23 ILE 5 27.314 10.923 7.533 51 HD11 ILE 5 HD11 ILE 5 24.133 7.382 9.202 52 HD12 ILE 5 HD12 ILE 5 25.798 7.955 9.305 53 HD13 ILE 5 HD13 ILE 5 25.364 6.713 8.131 54 H TRP 6 HN TRP 6 24.174 7.862 4.654 55 HA TRP 6 HA TRP 6 25.405 5.426 4.495 56 HB2 TRP 6 HB2 TRP 6 23.118 6.681 3.270 57 HB3 TRP 6 HB1 TRP 6 23.932 5.643 2.099 58 HD1 TRP 6 HD1 TRP 6 22.536 3.504 2.111 59 HE1 TRP 6 HE1 TRP 6 21.780 1.821 3.906 60 HE3 TRP 6 HE3 TRP 6 24.047 5.972 6.309 61 HZ2 TRP 6 HZ2 TRP 6 21.813 1.559 6.748 62 HZ3 TRP 6 HZ3 TRP 6 23.675 4.985 8.553 63 HH2 TRP 6 HH2 TRP 6 22.560 2.782 8.778 64 H GLU 7 HN GLU 7 25.317 7.799 1.827 65 HA GLU 7 HA GLU 7 27.047 6.418 0.109 66 HB2 GLU 7 HB2 GLU 7 25.792 9.000 0.236 67 HB3 GLU 7 HB1 GLU 7 27.459 9.170 -0.317 68 HG2 GLU 7 HG2 GLU 7 25.480 7.185 -1.465 69 HG3 GLU 7 HG1 GLU 7 25.829 8.757 -2.179 70 H VAL 8 HN VAL 8 27.750 7.676 3.104 71 HA VAL 8 HA VAL 8 30.573 8.196 2.425 72 HB VAL 8 HB VAL 8 29.273 8.823 5.069 73 HG11 VAL 8 HG11 VAL 8 31.196 9.998 5.503 74 HG12 VAL 8 HG12 VAL 8 31.436 10.435 3.812 75 HG13 VAL 8 HG13 VAL 8 31.871 8.821 4.376 76 HG21 VAL 8 HG21 VAL 8 29.453 10.585 2.603 77 HG22 VAL 8 HG22 VAL 8 28.908 11.110 4.196 78 HG23 VAL 8 HG23 VAL 8 27.964 9.931 3.285 79 H ILE 9 HN ILE 9 28.445 6.307 4.522 80 HA ILE 9 HA ILE 9 30.764 4.673 5.323 81 HB ILE 9 HB ILE 9 29.955 5.451 7.327 82 HG12 ILE 9 HG12 ILE 9 29.496 2.805 6.931 83 HG13 ILE 9 HG11 ILE 9 29.216 3.621 8.454 84 HG21 ILE 9 HG21 ILE 9 27.233 5.460 6.041 85 HG22 ILE 9 HG22 ILE 9 28.202 6.829 6.583 86 HG23 ILE 9 HG23 ILE 9 27.473 5.752 7.765 87 HD11 ILE 9 HD11 ILE 9 27.297 2.164 7.577 88 HD12 ILE 9 HD12 ILE 9 27.039 3.415 6.369 89 HD13 ILE 9 HD13 ILE 9 26.880 3.800 8.078 90 H ALA 10 HN ALA 10 27.350 4.552 4.357 91 HA ALA 10 HA ALA 10 27.315 1.706 4.044 92 HB1 ALA 10 HB1 ALA 10 25.271 3.095 4.380 93 HB2 ALA 10 HB2 ALA 10 25.168 2.038 2.973 94 HB3 ALA 10 HB3 ALA 10 25.499 3.756 2.761 95 H GLY 11 HN GLY 11 27.001 4.235 1.531 96 HA2 GLY 11 HA2 GLY 11 27.536 2.633 -0.669 97 HA3 GLY 11 HA1 GLY 11 27.909 4.355 -0.591 98 H LEU 12 HN LEU 12 29.543 3.475 1.910 99 HA LEU 12 HA LEU 12 32.004 2.942 0.403 100 HB2 LEU 12 HB2 LEU 12 31.791 4.962 1.950 101 HB3 LEU 12 HB1 LEU 12 31.806 3.809 3.287 102 HG LEU 12 HG LEU 12 33.937 2.921 1.849 103 HD11 LEU 12 HD11 LEU 12 34.096 5.934 1.658 104 HD12 LEU 12 HD12 LEU 12 33.559 4.935 0.308 105 HD13 LEU 12 HD13 LEU 12 35.189 4.741 0.954 106 HD21 LEU 12 HD21 LEU 12 35.319 4.146 3.511 107 HD22 LEU 12 HD22 LEU 12 33.904 3.406 4.260 108 HD23 LEU 12 HD23 LEU 12 33.920 5.137 3.924 109 H VAL 13 HN VAL 13 29.861 1.639 2.829 110 HA VAL 13 HA VAL 13 31.723 -0.622 3.263 111 HB VAL 13 HB VAL 13 29.431 0.364 4.975 112 HG11 VAL 13 HG11 VAL 13 30.685 -1.457 6.501 113 HG12 VAL 13 HG12 VAL 13 30.997 -2.171 4.918 114 HG13 VAL 13 HG13 VAL 13 29.339 -1.886 5.445 115 HG21 VAL 13 HG21 VAL 13 31.072 1.141 6.459 116 HG22 VAL 13 HG22 VAL 13 31.794 1.515 4.895 117 HG23 VAL 13 HG23 VAL 13 32.315 0.088 5.789 118 H ALA 14 HN ALA 14 28.231 0.079 2.923 119 HA ALA 14 HA ALA 14 27.229 -2.449 2.666 120 HB1 ALA 14 HB1 ALA 14 25.908 -0.322 2.478 121 HB2 ALA 14 HB2 ALA 14 25.470 -1.550 1.289 122 HB3 ALA 14 HB3 ALA 14 26.475 -0.181 0.814 123 H LEU 15 HN LEU 15 28.591 -0.513 -0.018 124 HA LEU 15 HA LEU 15 28.426 -2.524 -1.966 125 HB2 LEU 15 HB2 LEU 15 28.922 -0.156 -2.485 126 HB3 LEU 15 HB1 LEU 15 30.497 -0.323 -1.712 127 HG LEU 15 HG LEU 15 31.119 -2.066 -3.357 128 HD11 LEU 15 HD11 LEU 15 29.452 -2.018 -5.433 129 HD12 LEU 15 HD12 LEU 15 28.273 -1.648 -4.176 130 HD13 LEU 15 HD13 LEU 15 29.206 -3.142 -4.095 131 HD21 LEU 15 HD21 LEU 15 30.250 -0.073 -5.278 132 HD22 LEU 15 HD22 LEU 15 31.878 -0.418 -4.692 133 HD23 LEU 15 HD23 LEU 15 30.836 0.693 -3.802 134 H LEU 16 HN LEU 16 30.689 -1.963 0.624 135 HA LEU 16 HA LEU 16 32.446 -4.115 -0.325 136 HB2 LEU 16 HB2 LEU 16 32.895 -2.417 2.118 137 HB3 LEU 16 HB1 LEU 16 34.084 -3.287 1.150 138 HG LEU 16 HG LEU 16 32.481 -0.868 0.276 139 HD11 LEU 16 HD11 LEU 16 34.518 0.334 0.386 140 HD12 LEU 16 HD12 LEU 16 35.481 -1.139 0.478 141 HD13 LEU 16 HD13 LEU 16 34.511 -0.632 1.860 142 HD21 LEU 16 HD21 LEU 16 34.352 -2.733 -1.190 143 HD22 LEU 16 HD22 LEU 16 34.087 -1.078 -1.736 144 HD23 LEU 16 HD23 LEU 16 32.737 -2.208 -1.664 145 H THR 17 HN THR 17 29.659 -4.164 1.151 146 HA THR 17 HA THR 17 30.452 -6.316 3.003 147 HB THR 17 HB THR 17 28.780 -3.908 3.588 148 HG1 THR 17 HG1 THR 17 30.942 -5.298 4.636 149 HG21 THR 17 HG21 THR 17 27.996 -5.231 5.647 150 HG22 THR 17 HG22 THR 17 28.427 -6.677 4.735 151 HG23 THR 17 HG23 THR 17 27.185 -5.583 4.122 152 H PHE 18 HN PHE 18 28.228 -5.062 0.666 153 HA PHE 18 HA PHE 18 26.165 -7.004 1.126 154 HB2 PHE 18 HB2 PHE 18 26.096 -4.618 -0.035 155 HB3 PHE 18 HB1 PHE 18 26.436 -5.573 -1.477 156 HD1 PHE 18 HD2 PHE 18 24.200 -5.525 1.526 157 HD2 PHE 18 HD1 PHE 18 24.664 -6.615 -2.602 158 HE1 PHE 18 HE2 PHE 18 21.827 -6.230 1.445 159 HE2 PHE 18 HE1 PHE 18 22.294 -7.322 -2.682 160 HZ PHE 18 HZ PHE 18 20.870 -7.129 -0.660 161 H LEU 19 HN LEU 19 28.684 -6.502 -1.327 162 HA LEU 19 HA LEU 19 28.123 -9.033 -2.617 163 HB2 LEU 19 HB2 LEU 19 30.592 -7.402 -3.117 164 HB3 LEU 19 HB1 LEU 19 29.646 -8.369 -4.250 165 HG LEU 19 HG LEU 19 28.805 -5.745 -2.985 166 HD11 LEU 19 HD11 LEU 19 29.608 -6.584 -5.776 167 HD12 LEU 19 HD12 LEU 19 30.331 -5.327 -4.772 168 HD13 LEU 19 HD13 LEU 19 28.723 -5.093 -5.455 169 HD21 LEU 19 HD21 LEU 19 26.848 -7.134 -3.181 170 HD22 LEU 19 HD22 LEU 19 27.338 -7.701 -4.776 171 HD23 LEU 19 HD23 LEU 19 26.824 -6.028 -4.553 172 H ALA 20 HN ALA 20 30.832 -7.650 -0.760 173 HA ALA 20 HA ALA 20 32.625 -9.694 -0.731 174 HB1 ALA 20 HB1 ALA 20 33.288 -7.863 0.532 175 HB2 ALA 20 HB2 ALA 20 32.914 -9.035 1.795 176 HB3 ALA 20 HB3 ALA 20 31.752 -7.772 1.393 177 H PHE 21 HN PHE 21 29.691 -9.466 1.250 178 HA PHE 21 HA PHE 21 30.143 -12.157 2.309 179 HB2 PHE 21 HB2 PHE 21 28.023 -10.077 2.887 180 HB3 PHE 21 HB1 PHE 21 28.111 -11.656 3.670 181 HD1 PHE 21 HD1 PHE 21 30.224 -8.646 2.946 182 HD2 PHE 21 HD2 PHE 21 29.383 -11.897 5.624 183 HE1 PHE 21 HE1 PHE 21 31.886 -7.752 4.553 184 HE2 PHE 21 HE2 PHE 21 31.046 -11.001 7.231 185 HZ PHE 21 HZ PHE 21 32.297 -8.930 6.693 186 H GLY 22 HN GLY 22 27.891 -10.370 0.252 187 HA2 GLY 22 HA2 GLY 22 25.921 -12.292 -0.133 188 HA3 GLY 22 HA1 GLY 22 26.400 -11.104 -1.343 189 H PHE 23 HN PHE 23 29.026 -11.890 -1.816 190 HA PHE 23 HA PHE 23 28.733 -13.876 -3.749 191 HB2 PHE 23 HB2 PHE 23 30.923 -12.365 -2.578 192 HB3 PHE 23 HB1 PHE 23 31.409 -14.015 -2.967 193 HD1 PHE 23 HD1 PHE 23 30.377 -14.889 -5.310 194 HD2 PHE 23 HD2 PHE 23 31.138 -10.787 -4.284 195 HE1 PHE 23 HE1 PHE 23 30.470 -14.303 -7.719 196 HE2 PHE 23 HE2 PHE 23 31.231 -10.202 -6.691 197 HZ PHE 23 HZ PHE 23 30.895 -11.960 -8.408 198 H TRP 24 HN TRP 24 28.999 -14.148 -0.356 199 HA TRP 24 HA TRP 24 29.683 -17.004 -0.535 200 HB2 TRP 24 HB2 TRP 24 31.111 -15.864 1.009 201 HB3 TRP 24 HB1 TRP 24 29.739 -15.057 1.772 202 HD1 TRP 24 HD1 TRP 24 30.650 -18.733 0.986 203 HE1 TRP 24 HE1 TRP 24 30.069 -20.165 3.055 204 HE3 TRP 24 HE3 TRP 24 28.838 -15.111 4.072 205 HZ2 TRP 24 HZ2 TRP 24 28.979 -19.810 5.669 206 HZ3 TRP 24 HZ3 TRP 24 28.031 -15.677 6.349 207 HH2 TRP 24 HH2 TRP 24 28.101 -18.022 7.151 208 H LEU 25 HN LEU 25 27.764 -15.141 1.781 209 HA LEU 25 HA LEU 25 26.011 -16.735 2.835 210 HB2 LEU 25 HB2 LEU 25 25.607 -14.068 1.623 211 HB3 LEU 25 HB1 LEU 25 24.145 -14.961 2.046 212 HG LEU 25 HG LEU 25 26.424 -14.768 4.002 213 HD11 LEU 25 HD11 LEU 25 24.183 -12.751 3.653 214 HD12 LEU 25 HD12 LEU 25 25.887 -12.455 3.306 215 HD13 LEU 25 HD13 LEU 25 25.365 -12.763 4.962 216 HD21 LEU 25 HD21 LEU 25 23.569 -14.668 4.804 217 HD22 LEU 25 HD22 LEU 25 24.900 -15.591 5.498 218 HD23 LEU 25 HD23 LEU 25 24.090 -16.170 4.044 219 H PHE 26 HN PHE 26 25.283 -15.573 -0.476 220 HA PHE 26 HA PHE 26 23.200 -17.521 -0.806 221 HB2 PHE 26 HB2 PHE 26 24.556 -16.065 -3.063 222 HB3 PHE 26 HB1 PHE 26 22.874 -16.581 -2.937 223 HD1 PHE 26 HD1 PHE 26 21.825 -15.665 -0.514 224 HD2 PHE 26 HD2 PHE 26 24.792 -13.747 -2.956 225 HE1 PHE 26 HE1 PHE 26 21.217 -13.474 0.469 226 HE2 PHE 26 HE2 PHE 26 24.187 -11.556 -1.969 227 HZ PHE 26 HZ PHE 26 22.404 -11.420 -0.255 228 H LYS 27 HN LYS 27 26.217 -17.082 -2.659 229 HA LYS 27 HA LYS 27 26.241 -19.451 -4.021 230 HB2 LYS 27 HB2 LYS 27 28.749 -18.293 -2.809 231 HB3 LYS 27 HB1 LYS 27 28.582 -19.167 -4.329 232 HG2 LYS 27 HG2 LYS 27 27.512 -16.403 -3.691 233 HG3 LYS 27 HG1 LYS 27 28.766 -16.816 -4.858 234 HD2 LYS 27 HD2 LYS 27 26.934 -18.309 -5.949 235 HD3 LYS 27 HD1 LYS 27 25.804 -17.328 -5.013 236 HE2 LYS 27 HE2 LYS 27 27.363 -15.375 -6.067 237 HE3 LYS 27 HE1 LYS 27 27.470 -16.579 -7.350 238 HZ1 LYS 27 HZ1 LYS 27 25.345 -16.279 -7.910 239 HZ2 LYS 27 HZ2 LYS 27 25.447 -14.826 -7.034 240 HZ3 LYS 27 HZ3 LYS 27 24.814 -16.222 -6.300 241 H TYR 28 HN TYR 28 26.428 -19.124 -0.639 242 HA TYR 28 HA TYR 28 27.519 -21.867 -0.364 243 HB2 TYR 28 HB2 TYR 28 28.898 -20.876 1.112 244 HB3 TYR 28 HB1 TYR 28 27.917 -19.416 1.185 245 HD1 TYR 28 HD1 TYR 28 27.970 -22.976 2.314 246 HD2 TYR 28 HD2 TYR 28 26.560 -18.991 3.054 247 HE1 TYR 28 HE1 TYR 28 27.044 -23.710 4.497 248 HE2 TYR 28 HE2 TYR 28 25.636 -19.717 5.235 249 HH TYR 28 HH TYR 28 25.540 -23.099 6.151 250 H LEU 29 HN LEU 29 25.118 -19.637 1.033 251 HA LEU 29 HA LEU 29 23.709 -21.834 2.284 252 HB2 LEU 29 HB2 LEU 29 23.982 -19.381 3.146 253 HB3 LEU 29 HB1 LEU 29 22.628 -19.042 2.069 254 HG LEU 29 HG LEU 29 21.724 -21.282 3.328 255 HD11 LEU 29 HD11 LEU 29 23.297 -19.694 5.376 256 HD12 LEU 29 HD12 LEU 29 23.700 -21.319 4.822 257 HD13 LEU 29 HD13 LEU 29 22.211 -21.040 5.723 258 HD21 LEU 29 HD21 LEU 29 20.368 -19.714 4.696 259 HD22 LEU 29 HD22 LEU 29 20.484 -19.185 3.018 260 HD23 LEU 29 HD23 LEU 29 21.467 -18.407 4.259 261 H GLN 30 HN GLN 30 23.082 -19.507 -0.318 262 HA GLN 30 HA GLN 30 20.523 -20.582 -0.985 263 HB2 GLN 30 HB2 GLN 30 21.107 -18.287 -1.541 264 HB3 GLN 30 HB1 GLN 30 22.424 -18.845 -2.569 265 HG2 GLN 30 HG2 GLN 30 21.031 -19.502 -4.253 266 HG3 GLN 30 HG1 GLN 30 19.745 -19.980 -3.146 267 HE21 GLN 30 HE21 GLN 30 21.099 -16.794 -2.660 268 HE22 GLN 30 HE22 GLN 30 19.804 -15.930 -3.334 269 H LYS 31 HN LYS 31 23.560 -21.858 -1.303 270 HA LYS 31 HA LYS 31 22.820 -23.425 -3.703 271 HB2 LYS 31 HB2 LYS 31 25.334 -22.174 -2.845 272 HB3 LYS 31 HB1 LYS 31 25.512 -23.863 -3.315 273 HG2 LYS 31 HG2 LYS 31 25.825 -22.456 -5.277 274 HG3 LYS 31 HG1 LYS 31 24.315 -23.349 -5.454 275 HD2 LYS 31 HD2 LYS 31 23.716 -20.945 -4.050 276 HD3 LYS 31 HD1 LYS 31 24.717 -20.507 -5.433 277 HE2 LYS 31 HE2 LYS 31 23.193 -21.890 -6.888 278 HE3 LYS 31 HE1 LYS 31 22.132 -22.088 -5.492 279 HZ1 LYS 31 HZ1 LYS 31 22.433 -19.848 -7.228 280 HZ2 LYS 31 HZ2 LYS 31 22.650 -19.404 -5.603 281 HZ3 LYS 31 HZ3 LYS 31 21.217 -20.175 -6.091 282 H LYS 32 HN LYS 32 22.510 -23.691 -0.565 283 HA LYS 32 HA LYS 32 23.886 -25.783 0.491 284 HB2 LYS 32 HB2 LYS 32 21.342 -24.579 0.949 285 HB3 LYS 32 HB1 LYS 32 21.140 -26.332 1.019 286 HG2 LYS 32 HG2 LYS 32 23.045 -26.478 2.598 287 HG3 LYS 32 HG1 LYS 32 23.202 -24.722 2.556 288 HD2 LYS 32 HD2 LYS 32 20.524 -25.886 3.222 289 HD3 LYS 32 HD1 LYS 32 21.781 -25.915 4.459 290 HE2 LYS 32 HE2 LYS 32 20.894 -23.439 2.950 291 HE3 LYS 32 HE1 LYS 32 20.393 -23.856 4.587 292 HZ1 LYS 32 HZ1 LYS 32 22.832 -22.681 3.687 293 HZ2 LYS 32 HZ2 LYS 32 23.119 -24.073 4.619 294 HZ3 LYS 32 HZ3 LYS 32 22.206 -22.791 5.260 Start of MODEL 27 1 H1 LYS 1 HT1 LYS 1 20.576 13.691 -4.688 2 H2 LYS 1 HT2 LYS 1 20.573 14.444 -6.211 3 H3 LYS 1 HT3 LYS 1 20.094 15.310 -4.831 4 HA LYS 1 HA LYS 1 22.614 15.210 -5.939 5 HB2 LYS 1 HB2 LYS 1 21.699 16.114 -3.190 6 HB3 LYS 1 HB1 LYS 1 23.184 16.623 -3.994 7 HG2 LYS 1 HG2 LYS 1 21.759 17.477 -5.898 8 HG3 LYS 1 HG1 LYS 1 20.343 17.156 -4.896 9 HD2 LYS 1 HD2 LYS 1 22.646 18.989 -4.166 10 HD3 LYS 1 HD1 LYS 1 21.037 19.507 -4.674 11 HE2 LYS 1 HE2 LYS 1 20.793 19.592 -2.367 12 HE3 LYS 1 HE1 LYS 1 20.258 17.942 -2.685 13 HZ1 LYS 1 HZ1 LYS 1 22.821 18.880 -1.582 14 HZ2 LYS 1 HZ2 LYS 1 22.744 17.386 -2.389 15 HZ3 LYS 1 HZ3 LYS 1 21.790 17.660 -1.009 16 H LYS 2 HN LYS 2 21.629 13.979 -2.727 17 HA LYS 2 HA LYS 2 23.392 11.709 -2.957 18 HB2 LYS 2 HB2 LYS 2 24.948 13.575 -2.316 19 HB3 LYS 2 HB1 LYS 2 24.012 13.778 -0.838 20 HG2 LYS 2 HG2 LYS 2 25.920 12.367 -0.336 21 HG3 LYS 2 HG1 LYS 2 24.465 11.375 -0.276 22 HD2 LYS 2 HD2 LYS 2 25.131 10.094 -2.028 23 HD3 LYS 2 HD1 LYS 2 25.703 11.485 -2.949 24 HE2 LYS 2 HE2 LYS 2 27.199 10.382 -0.565 25 HE3 LYS 2 HE1 LYS 2 27.502 9.839 -2.214 26 HZ1 LYS 2 HZ1 LYS 2 27.715 12.343 -2.700 27 HZ2 LYS 2 HZ2 LYS 2 29.012 11.542 -1.953 28 HZ3 LYS 2 HZ3 LYS 2 27.952 12.497 -1.028 29 H HIS 3 HN HIS 3 22.343 10.103 -2.031 30 HA HIS 3 HA HIS 3 19.980 10.114 -0.708 31 HB2 HIS 3 HB2 HIS 3 21.094 8.064 -1.416 32 HB3 HIS 3 HB1 HIS 3 22.330 8.279 -0.180 33 HD2 HIS 3 HD2 HIS 3 21.403 5.859 1.090 34 HE1 HIS 3 HE1 HIS 3 17.756 7.526 2.403 35 HE2 HIS 3 HE2 HIS 3 19.303 5.525 2.606 36 H THR 4 HN THR 4 22.488 9.040 1.448 37 HA THR 4 HA THR 4 22.135 11.329 3.235 38 HB THR 4 HB THR 4 20.360 9.890 3.996 39 HG1 THR 4 HG1 THR 4 22.216 9.090 5.844 40 HG21 THR 4 HG21 THR 4 22.081 7.816 3.101 41 HG22 THR 4 HG22 THR 4 20.447 7.664 3.743 42 HG23 THR 4 HG23 THR 4 21.826 7.564 4.827 43 H ILE 5 HN ILE 5 23.186 8.741 4.987 44 HA ILE 5 HA ILE 5 25.993 9.514 4.577 45 HB ILE 5 HB ILE 5 26.255 8.156 6.759 46 HG12 ILE 5 HG12 ILE 5 23.435 8.826 7.349 47 HG13 ILE 5 HG11 ILE 5 23.667 7.466 6.251 48 HG21 ILE 5 HG21 ILE 5 24.646 10.728 6.690 49 HG22 ILE 5 HG22 ILE 5 26.404 10.606 6.648 50 HG23 ILE 5 HG23 ILE 5 25.521 10.116 8.094 51 HD11 ILE 5 HD11 ILE 5 23.614 6.737 8.620 52 HD12 ILE 5 HD12 ILE 5 25.011 7.765 8.945 53 HD13 ILE 5 HD13 ILE 5 25.163 6.388 7.854 54 H TRP 6 HN TRP 6 23.745 6.888 4.289 55 HA TRP 6 HA TRP 6 25.277 4.624 4.280 56 HB2 TRP 6 HB2 TRP 6 22.796 5.463 3.078 57 HB3 TRP 6 HB1 TRP 6 23.683 4.425 1.963 58 HD1 TRP 6 HD1 TRP 6 22.556 2.152 2.241 59 HE1 TRP 6 HE1 TRP 6 22.094 0.565 4.213 60 HE3 TRP 6 HE3 TRP 6 23.948 5.154 6.119 61 HZ2 TRP 6 HZ2 TRP 6 22.290 0.570 7.061 62 HZ3 TRP 6 HZ3 TRP 6 23.802 4.341 8.456 63 HH2 TRP 6 HH2 TRP 6 22.975 2.053 8.932 64 H GLU 7 HN GLU 7 24.750 6.704 1.426 65 HA GLU 7 HA GLU 7 26.603 5.402 -0.243 66 HB2 GLU 7 HB2 GLU 7 24.886 7.664 -0.375 67 HB3 GLU 7 HB1 GLU 7 26.488 8.172 -0.909 68 HG2 GLU 7 HG2 GLU 7 25.004 5.738 -1.942 69 HG3 GLU 7 HG1 GLU 7 25.114 7.283 -2.783 70 H VAL 8 HN VAL 8 27.276 6.874 2.585 71 HA VAL 8 HA VAL 8 29.934 7.813 1.695 72 HB VAL 8 HB VAL 8 28.656 8.589 4.306 73 HG11 VAL 8 HG11 VAL 8 30.234 10.380 4.233 74 HG12 VAL 8 HG12 VAL 8 30.599 10.082 2.535 75 HG13 VAL 8 HG13 VAL 8 31.128 8.934 3.764 76 HG21 VAL 8 HG21 VAL 8 27.065 9.208 2.526 77 HG22 VAL 8 HG22 VAL 8 28.371 9.970 1.616 78 HG23 VAL 8 HG23 VAL 8 27.862 10.648 3.163 79 H ILE 9 HN ILE 9 28.148 5.869 4.025 80 HA ILE 9 HA ILE 9 30.698 4.706 4.944 81 HB ILE 9 HB ILE 9 29.871 5.601 6.884 82 HG12 ILE 9 HG12 ILE 9 29.714 2.903 6.835 83 HG13 ILE 9 HG11 ILE 9 29.347 3.860 8.256 84 HG21 ILE 9 HG21 ILE 9 27.377 5.667 7.396 85 HG22 ILE 9 HG22 ILE 9 27.131 5.176 5.718 86 HG23 ILE 9 HG23 ILE 9 27.952 6.691 6.087 87 HD11 ILE 9 HD11 ILE 9 27.616 2.084 7.585 88 HD12 ILE 9 HD12 ILE 9 27.193 3.160 6.260 89 HD13 ILE 9 HD13 ILE 9 27.010 3.704 7.922 90 H ALA 10 HN ALA 10 27.328 4.053 4.096 91 HA ALA 10 HA ALA 10 27.669 1.195 4.138 92 HB1 ALA 10 HB1 ALA 10 25.463 2.300 4.457 93 HB2 ALA 10 HB2 ALA 10 25.449 1.112 3.155 94 HB3 ALA 10 HB3 ALA 10 25.519 2.833 2.778 95 H GLY 11 HN GLY 11 26.881 3.362 1.404 96 HA2 GLY 11 HA2 GLY 11 27.519 1.628 -0.655 97 HA3 GLY 11 HA1 GLY 11 27.667 3.381 -0.768 98 H LEU 12 HN LEU 12 29.533 2.989 1.695 99 HA LEU 12 HA LEU 12 31.957 2.603 0.089 100 HB2 LEU 12 HB2 LEU 12 31.554 4.740 1.442 101 HB3 LEU 12 HB1 LEU 12 31.822 3.748 2.877 102 HG LEU 12 HG LEU 12 33.956 3.000 1.372 103 HD11 LEU 12 HD11 LEU 12 34.904 4.968 0.294 104 HD12 LEU 12 HD12 LEU 12 33.522 5.945 0.788 105 HD13 LEU 12 HD13 LEU 12 33.311 4.654 -0.394 106 HD21 LEU 12 HD21 LEU 12 33.697 5.374 3.243 107 HD22 LEU 12 HD22 LEU 12 35.239 4.679 2.744 108 HD23 LEU 12 HD23 LEU 12 34.102 3.715 3.685 109 H VAL 13 HN VAL 13 30.142 1.326 2.782 110 HA VAL 13 HA VAL 13 32.302 -0.628 3.314 111 HB VAL 13 HB VAL 13 29.980 0.196 5.072 112 HG11 VAL 13 HG11 VAL 13 32.157 -1.879 5.341 113 HG12 VAL 13 HG12 VAL 13 30.419 -2.079 5.565 114 HG13 VAL 13 HG13 VAL 13 31.364 -1.186 6.756 115 HG21 VAL 13 HG21 VAL 13 32.160 1.675 4.652 116 HG22 VAL 13 HG22 VAL 13 32.874 0.519 5.778 117 HG23 VAL 13 HG23 VAL 13 31.488 1.491 6.272 118 H ALA 14 HN ALA 14 28.739 -0.408 3.165 119 HA ALA 14 HA ALA 14 28.055 -3.051 3.222 120 HB1 ALA 14 HB1 ALA 14 26.102 -2.496 1.915 121 HB2 ALA 14 HB2 ALA 14 26.901 -1.076 1.242 122 HB3 ALA 14 HB3 ALA 14 26.473 -1.119 2.952 123 H LEU 15 HN LEU 15 29.174 -1.242 0.364 124 HA LEU 15 HA LEU 15 29.064 -3.435 -1.426 125 HB2 LEU 15 HB2 LEU 15 30.895 -1.026 -1.538 126 HB3 LEU 15 HB1 LEU 15 30.451 -2.071 -2.890 127 HG LEU 15 HG LEU 15 28.518 -0.406 -1.257 128 HD11 LEU 15 HD11 LEU 15 30.243 0.586 -3.086 129 HD12 LEU 15 HD12 LEU 15 28.608 1.216 -2.881 130 HD13 LEU 15 HD13 LEU 15 28.950 0.057 -4.164 131 HD21 LEU 15 HD21 LEU 15 27.105 -1.054 -3.408 132 HD22 LEU 15 HD22 LEU 15 27.196 -2.151 -2.030 133 HD23 LEU 15 HD23 LEU 15 28.209 -2.429 -3.447 134 H LEU 16 HN LEU 16 31.382 -2.338 0.910 135 HA LEU 16 HA LEU 16 33.342 -4.349 0.056 136 HB2 LEU 16 HB2 LEU 16 33.670 -2.342 2.279 137 HB3 LEU 16 HB1 LEU 16 34.927 -3.188 1.375 138 HG LEU 16 HG LEU 16 33.034 -1.082 0.298 139 HD11 LEU 16 HD11 LEU 16 34.941 0.312 0.119 140 HD12 LEU 16 HD12 LEU 16 36.052 -1.041 0.340 141 HD13 LEU 16 HD13 LEU 16 35.106 -0.445 1.704 142 HD21 LEU 16 HD21 LEU 16 34.962 -2.971 -1.041 143 HD22 LEU 16 HD22 LEU 16 34.589 -1.404 -1.761 144 HD23 LEU 16 HD23 LEU 16 33.303 -2.581 -1.494 145 H THR 17 HN THR 17 30.657 -4.494 1.725 146 HA THR 17 HA THR 17 31.693 -6.513 3.582 147 HB THR 17 HB THR 17 30.086 -4.084 4.342 148 HG1 THR 17 HG1 THR 17 31.652 -3.975 5.916 149 HG21 THR 17 HG21 THR 17 29.823 -5.372 6.575 150 HG22 THR 17 HG22 THR 17 30.093 -6.818 5.604 151 HG23 THR 17 HG23 THR 17 28.720 -5.768 5.258 152 H PHE 18 HN PHE 18 28.552 -4.923 3.043 153 HA PHE 18 HA PHE 18 26.956 -7.166 3.272 154 HB2 PHE 18 HB2 PHE 18 26.352 -4.639 2.948 155 HB3 PHE 18 HB1 PHE 18 26.286 -5.066 1.240 156 HD1 PHE 18 HD2 PHE 18 25.109 -6.319 4.572 157 HD2 PHE 18 HD1 PHE 18 24.286 -5.922 0.375 158 HE1 PHE 18 HE2 PHE 18 22.868 -7.323 4.916 159 HE2 PHE 18 HE1 PHE 18 22.046 -6.926 0.718 160 HZ PHE 18 HZ PHE 18 21.336 -7.629 2.988 161 H LEU 19 HN LEU 19 28.525 -5.880 0.352 162 HA LEU 19 HA LEU 19 27.517 -8.023 -1.315 163 HB2 LEU 19 HB2 LEU 19 29.402 -5.717 -1.729 164 HB3 LEU 19 HB1 LEU 19 29.259 -6.984 -2.943 165 HG LEU 19 HG LEU 19 27.739 -4.988 -3.308 166 HD11 LEU 19 HD11 LEU 19 26.380 -6.404 -4.421 167 HD12 LEU 19 HD12 LEU 19 25.733 -7.052 -2.915 168 HD13 LEU 19 HD13 LEU 19 27.200 -7.736 -3.609 169 HD21 LEU 19 HD21 LEU 19 26.179 -6.128 -0.984 170 HD22 LEU 19 HD22 LEU 19 25.889 -4.619 -1.852 171 HD23 LEU 19 HD23 LEU 19 27.296 -4.778 -0.803 172 H ALA 20 HN ALA 20 30.672 -7.069 0.024 173 HA ALA 20 HA ALA 20 32.351 -8.939 -1.022 174 HB1 ALA 20 HB1 ALA 20 32.498 -8.532 1.932 175 HB2 ALA 20 HB2 ALA 20 32.672 -7.124 0.884 176 HB3 ALA 20 HB3 ALA 20 33.782 -8.484 0.725 177 H PHE 21 HN PHE 21 30.409 -9.445 1.940 178 HA PHE 21 HA PHE 21 30.997 -12.289 1.881 179 HB2 PHE 21 HB2 PHE 21 29.120 -10.808 3.729 180 HB3 PHE 21 HB1 PHE 21 29.840 -12.397 3.983 181 HD1 PHE 21 HD2 PHE 21 32.537 -12.372 3.647 182 HD2 PHE 21 HD1 PHE 21 30.123 -9.039 4.871 183 HE1 PHE 21 HE2 PHE 21 34.525 -11.316 4.687 184 HE2 PHE 21 HE1 PHE 21 32.108 -7.981 5.911 185 HZ PHE 21 HZ PHE 21 34.310 -9.120 5.819 186 H GLY 22 HN GLY 22 28.317 -10.123 1.186 187 HA2 GLY 22 HA2 GLY 22 26.204 -11.930 1.029 188 HA3 GLY 22 HA1 GLY 22 26.343 -10.470 0.053 189 H PHE 23 HN PHE 23 28.581 -11.029 -1.458 190 HA PHE 23 HA PHE 23 27.566 -12.493 -3.592 191 HB2 PHE 23 HB2 PHE 23 30.101 -11.256 -2.891 192 HB3 PHE 23 HB1 PHE 23 30.339 -12.746 -3.804 193 HD1 PHE 23 HD1 PHE 23 28.543 -13.049 -5.803 194 HD2 PHE 23 HD2 PHE 23 29.835 -9.303 -4.141 195 HE1 PHE 23 HE1 PHE 23 27.868 -11.888 -7.890 196 HE2 PHE 23 HE2 PHE 23 29.162 -8.144 -6.224 197 HZ PHE 23 HZ PHE 23 28.175 -9.437 -8.099 198 H TRP 24 HN TRP 24 28.896 -13.585 -0.649 199 HA TRP 24 HA TRP 24 29.326 -16.291 -1.729 200 HB2 TRP 24 HB2 TRP 24 31.251 -15.536 -0.529 201 HB3 TRP 24 HB1 TRP 24 30.261 -14.971 0.820 202 HD1 TRP 24 HD1 TRP 24 30.632 -18.316 -1.084 203 HE1 TRP 24 HE1 TRP 24 30.670 -20.229 0.650 204 HE3 TRP 24 HE3 TRP 24 30.158 -15.613 3.204 205 HZ2 TRP 24 HZ2 TRP 24 30.518 -20.559 3.483 206 HZ3 TRP 24 HZ3 TRP 24 30.106 -16.745 5.413 207 HH2 TRP 24 HH2 TRP 24 30.285 -19.213 5.556 208 H LEU 25 HN LEU 25 28.396 -15.100 1.469 209 HA LEU 25 HA LEU 25 27.001 -16.950 2.638 210 HB2 LEU 25 HB2 LEU 25 26.369 -14.079 2.299 211 HB3 LEU 25 HB1 LEU 25 25.085 -15.088 2.966 212 HG LEU 25 HG LEU 25 27.890 -15.316 4.030 213 HD11 LEU 25 HD11 LEU 25 25.792 -13.278 4.835 214 HD12 LEU 25 HD12 LEU 25 27.388 -12.935 4.168 215 HD13 LEU 25 HD13 LEU 25 27.238 -13.645 5.775 216 HD21 LEU 25 HD21 LEU 25 25.459 -15.472 5.731 217 HD22 LEU 25 HD22 LEU 25 26.897 -16.494 5.728 218 HD23 LEU 25 HD23 LEU 25 25.632 -16.745 4.524 219 H PHE 26 HN PHE 26 25.311 -15.045 0.121 220 HA PHE 26 HA PHE 26 23.118 -16.900 0.048 221 HB2 PHE 26 HB2 PHE 26 23.737 -14.896 -2.108 222 HB3 PHE 26 HB1 PHE 26 22.165 -15.469 -1.553 223 HD1 PHE 26 HD2 PHE 26 22.026 -15.210 1.223 224 HD2 PHE 26 HD1 PHE 26 24.147 -12.675 -1.522 225 HE1 PHE 26 HE2 PHE 26 21.911 -13.348 2.853 226 HE2 PHE 26 HE1 PHE 26 24.032 -10.815 0.110 227 HZ PHE 26 HZ PHE 26 22.919 -11.152 2.298 228 H LYS 27 HN LYS 27 25.397 -15.944 -2.527 229 HA LYS 27 HA LYS 27 24.830 -17.908 -4.351 230 HB2 LYS 27 HB2 LYS 27 27.658 -17.003 -3.810 231 HB3 LYS 27 HB1 LYS 27 26.943 -17.480 -5.349 232 HG2 LYS 27 HG2 LYS 27 26.305 -14.992 -3.737 233 HG3 LYS 27 HG1 LYS 27 27.070 -15.068 -5.324 234 HD2 LYS 27 HD2 LYS 27 24.898 -16.297 -6.059 235 HD3 LYS 27 HD1 LYS 27 24.204 -15.621 -4.584 236 HE2 LYS 27 HE2 LYS 27 25.426 -13.415 -5.595 237 HE3 LYS 27 HE1 LYS 27 25.017 -14.257 -7.088 238 HZ1 LYS 27 HZ1 LYS 27 22.767 -14.540 -5.658 239 HZ2 LYS 27 HZ2 LYS 27 23.030 -13.304 -6.794 240 HZ3 LYS 27 HZ3 LYS 27 23.286 -13.011 -5.141 241 H TYR 28 HN TYR 28 26.035 -18.440 -1.241 242 HA TYR 28 HA TYR 28 27.049 -21.122 -2.006 243 HB2 TYR 28 HB2 TYR 28 28.894 -20.476 -0.892 244 HB3 TYR 28 HB1 TYR 28 28.075 -19.103 -0.151 245 HD1 TYR 28 HD2 TYR 28 28.309 -22.827 0.023 246 HD2 TYR 28 HD1 TYR 28 27.439 -19.178 2.109 247 HE1 TYR 28 HE2 TYR 28 28.124 -24.088 2.154 248 HE2 TYR 28 HE1 TYR 28 27.255 -20.431 4.237 249 HH TYR 28 HH TYR 28 28.399 -23.506 4.662 250 H LEU 29 HN LEU 29 25.387 -19.355 0.609 251 HA LEU 29 HA LEU 29 24.332 -21.827 1.695 252 HB2 LEU 29 HB2 LEU 29 25.040 -19.663 2.980 253 HB3 LEU 29 HB1 LEU 29 23.430 -19.090 2.543 254 HG LEU 29 HG LEU 29 22.840 -21.590 3.442 255 HD11 LEU 29 HD11 LEU 29 25.110 -20.566 5.172 256 HD12 LEU 29 HD12 LEU 29 25.207 -21.966 4.102 257 HD13 LEU 29 HD13 LEU 29 24.120 -21.991 5.490 258 HD21 LEU 29 HD21 LEU 29 21.689 -19.565 4.133 259 HD22 LEU 29 HD22 LEU 29 23.108 -19.019 5.027 260 HD23 LEU 29 HD23 LEU 29 22.207 -20.431 5.580 261 H GLN 30 HN GLN 30 23.114 -19.007 -0.063 262 HA GLN 30 HA GLN 30 20.379 -19.926 -0.023 263 HB2 GLN 30 HB2 GLN 30 20.873 -17.540 -0.112 264 HB3 GLN 30 HB1 GLN 30 21.735 -17.755 -1.632 265 HG2 GLN 30 HG2 GLN 30 19.828 -17.948 -2.854 266 HG3 GLN 30 HG1 GLN 30 18.979 -18.823 -1.582 267 HE21 GLN 30 HE21 GLN 30 20.549 -15.779 -0.773 268 HE22 GLN 30 HE22 GLN 30 19.123 -14.871 -0.625 269 H LYS 31 HN LYS 31 23.137 -20.706 -1.815 270 HA LYS 31 HA LYS 31 21.492 -21.841 -4.000 271 HB2 LYS 31 HB2 LYS 31 24.169 -20.514 -4.001 272 HB3 LYS 31 HB1 LYS 31 23.887 -21.821 -5.149 273 HG2 LYS 31 HG2 LYS 31 23.302 -19.632 -6.132 274 HG3 LYS 31 HG1 LYS 31 21.882 -20.666 -5.989 275 HD2 LYS 31 HD2 LYS 31 20.932 -19.374 -4.348 276 HD3 LYS 31 HD1 LYS 31 22.491 -18.906 -3.668 277 HE2 LYS 31 HE2 LYS 31 22.881 -17.392 -5.564 278 HE3 LYS 31 HE1 LYS 31 21.346 -17.877 -6.281 279 HZ1 LYS 31 HZ1 LYS 31 21.266 -15.774 -4.983 280 HZ2 LYS 31 HZ2 LYS 31 21.590 -16.675 -3.580 281 HZ3 LYS 31 HZ3 LYS 31 20.164 -16.953 -4.461 282 H LYS 32 HN LYS 32 21.294 -23.542 -2.198 283 HA LYS 32 HA LYS 32 23.243 -25.635 -2.785 284 HB2 LYS 32 HB2 LYS 32 23.556 -26.180 -0.396 285 HB3 LYS 32 HB1 LYS 32 24.177 -24.575 -0.787 286 HG2 LYS 32 HG2 LYS 32 22.918 -23.854 0.951 287 HG3 LYS 32 HG1 LYS 32 21.544 -24.052 -0.138 288 HD2 LYS 32 HD2 LYS 32 21.252 -26.374 0.656 289 HD3 LYS 32 HD1 LYS 32 22.615 -26.166 1.755 290 HE2 LYS 32 HE2 LYS 32 21.455 -24.666 3.125 291 HE3 LYS 32 HE1 LYS 32 20.314 -24.236 1.852 292 HZ1 LYS 32 HZ1 LYS 32 19.193 -26.259 2.081 293 HZ2 LYS 32 HZ2 LYS 32 19.475 -25.751 3.676 294 HZ3 LYS 32 HZ3 LYS 32 20.442 -26.964 2.986 Start of MODEL 28 1 H1 LYS 1 HT1 LYS 1 25.102 16.798 0.950 2 H2 LYS 1 HT2 LYS 1 24.141 18.194 1.060 3 H3 LYS 1 HT3 LYS 1 23.856 17.059 -0.171 4 HA LYS 1 HA LYS 1 23.715 16.132 2.598 5 HB2 LYS 1 HB2 LYS 1 21.183 16.806 2.387 6 HB3 LYS 1 HB1 LYS 1 22.354 17.991 2.959 7 HG2 LYS 1 HG2 LYS 1 20.858 18.956 1.241 8 HG3 LYS 1 HG1 LYS 1 22.532 18.935 0.691 9 HD2 LYS 1 HD2 LYS 1 22.153 17.115 -0.766 10 HD3 LYS 1 HD1 LYS 1 20.658 16.659 0.054 11 HE2 LYS 1 HE2 LYS 1 20.782 19.390 -1.136 12 HE3 LYS 1 HE1 LYS 1 20.644 18.029 -2.249 13 HZ1 LYS 1 HZ1 LYS 1 18.560 19.173 -1.061 14 HZ2 LYS 1 HZ2 LYS 1 18.900 17.951 0.069 15 HZ3 LYS 1 HZ3 LYS 1 18.578 17.549 -1.550 16 H LYS 2 HN LYS 2 24.181 15.262 -0.299 17 HA LYS 2 HA LYS 2 22.082 13.926 -1.445 18 HB2 LYS 2 HB2 LYS 2 23.812 12.197 -2.144 19 HB3 LYS 2 HB1 LYS 2 24.196 13.872 -2.541 20 HG2 LYS 2 HG2 LYS 2 26.030 13.846 -1.231 21 HG3 LYS 2 HG1 LYS 2 25.127 13.172 0.126 22 HD2 LYS 2 HD2 LYS 2 25.334 10.919 -0.829 23 HD3 LYS 2 HD1 LYS 2 26.196 11.576 -2.221 24 HE2 LYS 2 HE2 LYS 2 27.118 11.680 0.666 25 HE3 LYS 2 HE1 LYS 2 27.804 10.677 -0.613 26 HZ1 LYS 2 HZ1 LYS 2 28.200 13.472 -0.061 27 HZ2 LYS 2 HZ2 LYS 2 27.858 13.150 -1.694 28 HZ3 LYS 2 HZ3 LYS 2 29.174 12.391 -0.932 29 H HIS 3 HN HIS 3 20.819 12.229 -0.962 30 HA HIS 3 HA HIS 3 19.765 10.720 0.446 31 HB2 HIS 3 HB2 HIS 3 21.529 9.424 -0.850 32 HB3 HIS 3 HB1 HIS 3 22.528 9.514 0.600 33 HD2 HIS 3 HD2 HIS 3 22.055 6.599 0.746 34 HE1 HIS 3 HE1 HIS 3 18.122 7.078 2.202 35 HE2 HIS 3 HE2 HIS 3 20.010 5.415 1.855 36 H THR 4 HN THR 4 21.938 9.307 2.319 37 HA THR 4 HA THR 4 21.698 11.267 4.524 38 HB THR 4 HB THR 4 20.087 9.556 4.989 39 HG1 THR 4 HG1 THR 4 21.989 10.103 6.544 40 HG21 THR 4 HG21 THR 4 20.318 7.538 4.032 41 HG22 THR 4 HG22 THR 4 21.607 7.179 5.180 42 HG23 THR 4 HG23 THR 4 21.994 7.891 3.613 43 H ILE 5 HN ILE 5 23.030 8.363 5.496 44 HA ILE 5 HA ILE 5 25.771 9.428 5.191 45 HB ILE 5 HB ILE 5 26.191 7.892 7.222 46 HG12 ILE 5 HG12 ILE 5 23.395 8.344 8.036 47 HG13 ILE 5 HG11 ILE 5 23.585 7.147 6.754 48 HG21 ILE 5 HG21 ILE 5 24.553 10.433 7.317 49 HG22 ILE 5 HG22 ILE 5 26.301 10.268 7.480 50 HG23 ILE 5 HG23 ILE 5 25.237 9.687 8.761 51 HD11 ILE 5 HD11 ILE 5 25.292 7.101 9.242 52 HD12 ILE 5 HD12 ILE 5 25.037 5.808 8.070 53 HD13 ILE 5 HD13 ILE 5 23.734 6.277 9.164 54 H TRP 6 HN TRP 6 23.639 6.774 4.609 55 HA TRP 6 HA TRP 6 25.235 4.569 4.395 56 HB2 TRP 6 HB2 TRP 6 22.773 5.474 3.194 57 HB3 TRP 6 HB1 TRP 6 23.730 4.578 2.015 58 HD1 TRP 6 HD1 TRP 6 22.655 2.259 2.020 59 HE1 TRP 6 HE1 TRP 6 22.173 0.469 3.804 60 HE3 TRP 6 HE3 TRP 6 23.831 4.887 6.227 61 HZ2 TRP 6 HZ2 TRP 6 22.275 0.190 6.644 62 HZ3 TRP 6 HZ3 TRP 6 23.631 3.838 8.464 63 HH2 TRP 6 HH2 TRP 6 22.855 1.492 8.679 64 H GLU 7 HN GLU 7 24.736 6.912 1.744 65 HA GLU 7 HA GLU 7 26.651 5.848 0.004 66 HB2 GLU 7 HB2 GLU 7 25.025 8.223 0.188 67 HB3 GLU 7 HB1 GLU 7 26.630 8.618 -0.424 68 HG2 GLU 7 HG2 GLU 7 24.914 6.367 -1.502 69 HG3 GLU 7 HG1 GLU 7 24.994 7.975 -2.222 70 H VAL 8 HN VAL 8 27.171 7.189 3.005 71 HA VAL 8 HA VAL 8 29.869 8.151 2.308 72 HB VAL 8 HB VAL 8 28.516 8.544 4.969 73 HG11 VAL 8 HG11 VAL 8 31.060 8.944 4.348 74 HG12 VAL 8 HG12 VAL 8 30.189 10.102 5.353 75 HG13 VAL 8 HG13 VAL 8 30.424 10.426 3.635 76 HG21 VAL 8 HG21 VAL 8 27.021 9.437 3.213 77 HG22 VAL 8 HG22 VAL 8 28.373 10.322 2.511 78 HG23 VAL 8 HG23 VAL 8 27.778 10.749 4.115 79 H ILE 9 HN ILE 9 28.093 5.918 4.389 80 HA ILE 9 HA ILE 9 30.652 4.670 5.153 81 HB ILE 9 HB ILE 9 29.754 5.301 7.174 82 HG12 ILE 9 HG12 ILE 9 29.732 2.617 6.759 83 HG13 ILE 9 HG11 ILE 9 29.347 3.366 8.294 84 HG21 ILE 9 HG21 ILE 9 27.262 5.185 7.648 85 HG22 ILE 9 HG22 ILE 9 27.050 4.864 5.925 86 HG23 ILE 9 HG23 ILE 9 27.785 6.372 6.461 87 HD11 ILE 9 HD11 ILE 9 27.008 3.161 7.955 88 HD12 ILE 9 HD12 ILE 9 27.680 1.619 7.434 89 HD13 ILE 9 HD13 ILE 9 27.199 2.816 6.240 90 H ALA 10 HN ALA 10 27.283 4.019 4.240 91 HA ALA 10 HA ALA 10 27.685 1.205 3.904 92 HB1 ALA 10 HB1 ALA 10 25.553 2.965 2.673 93 HB2 ALA 10 HB2 ALA 10 25.458 2.247 4.282 94 HB3 ALA 10 HB3 ALA 10 25.497 1.212 2.856 95 H GLY 11 HN GLY 11 26.941 3.663 1.412 96 HA2 GLY 11 HA2 GLY 11 27.663 2.170 -0.807 97 HA3 GLY 11 HA1 GLY 11 27.774 3.928 -0.726 98 H LEU 12 HN LEU 12 29.584 3.300 1.729 99 HA LEU 12 HA LEU 12 32.055 3.124 0.155 100 HB2 LEU 12 HB2 LEU 12 31.572 5.117 1.691 101 HB3 LEU 12 HB1 LEU 12 31.842 4.000 3.030 102 HG LEU 12 HG LEU 12 34.024 3.416 1.593 103 HD11 LEU 12 HD11 LEU 12 34.913 5.310 0.434 104 HD12 LEU 12 HD12 LEU 12 33.637 6.366 1.039 105 HD13 LEU 12 HD13 LEU 12 33.261 5.122 -0.153 106 HD21 LEU 12 HD21 LEU 12 33.624 5.767 3.467 107 HD22 LEU 12 HD22 LEU 12 35.212 5.174 2.981 108 HD23 LEU 12 HD23 LEU 12 34.123 4.132 3.897 109 H VAL 13 HN VAL 13 30.194 1.562 2.648 110 HA VAL 13 HA VAL 13 32.352 -0.442 2.990 111 HB VAL 13 HB VAL 13 30.136 0.259 4.934 112 HG11 VAL 13 HG11 VAL 13 32.364 -1.773 4.924 113 HG12 VAL 13 HG12 VAL 13 30.652 -2.024 5.260 114 HG13 VAL 13 HG13 VAL 13 31.667 -1.185 6.434 115 HG21 VAL 13 HG21 VAL 13 32.225 1.845 4.508 116 HG22 VAL 13 HG22 VAL 13 33.068 0.625 5.461 117 HG23 VAL 13 HG23 VAL 13 31.696 1.489 6.152 118 H ALA 14 HN ALA 14 28.793 -0.127 3.129 119 HA ALA 14 HA ALA 14 28.045 -2.749 2.982 120 HB1 ALA 14 HB1 ALA 14 26.051 -1.994 1.709 121 HB2 ALA 14 HB2 ALA 14 26.836 -0.437 1.442 122 HB3 ALA 14 HB3 ALA 14 26.408 -0.940 3.078 123 H LEU 15 HN LEU 15 29.103 -0.698 0.281 124 HA LEU 15 HA LEU 15 28.746 -2.693 -1.714 125 HB2 LEU 15 HB2 LEU 15 28.951 -0.252 -2.203 126 HB3 LEU 15 HB1 LEU 15 30.648 -0.334 -1.735 127 HG LEU 15 HG LEU 15 31.036 -2.037 -3.508 128 HD11 LEU 15 HD11 LEU 15 28.082 -1.699 -3.807 129 HD12 LEU 15 HD12 LEU 15 29.072 -3.146 -3.994 130 HD13 LEU 15 HD13 LEU 15 29.027 -1.936 -5.276 131 HD21 LEU 15 HD21 LEU 15 29.977 0.700 -4.117 132 HD22 LEU 15 HD22 LEU 15 30.372 -0.371 -5.460 133 HD23 LEU 15 HD23 LEU 15 31.616 0.072 -4.290 134 H LEU 16 HN LEU 16 31.333 -1.847 0.487 135 HA LEU 16 HA LEU 16 33.181 -3.745 -0.732 136 HB2 LEU 16 HB2 LEU 16 33.583 -2.207 1.831 137 HB3 LEU 16 HB1 LEU 16 34.813 -2.892 0.769 138 HG LEU 16 HG LEU 16 32.949 -0.594 0.119 139 HD11 LEU 16 HD11 LEU 16 34.918 0.766 0.136 140 HD12 LEU 16 HD12 LEU 16 35.972 -0.645 0.229 141 HD13 LEU 16 HD13 LEU 16 34.978 -0.193 1.614 142 HD21 LEU 16 HD21 LEU 16 33.202 -1.728 -1.930 143 HD22 LEU 16 HD22 LEU 16 34.851 -2.228 -1.552 144 HD23 LEU 16 HD23 LEU 16 34.512 -0.548 -1.965 145 H THR 17 HN THR 17 30.610 -3.913 1.333 146 HA THR 17 HA THR 17 31.718 -6.245 2.774 147 HB THR 17 HB THR 17 29.814 -4.102 3.604 148 HG1 THR 17 HG1 THR 17 31.278 -5.284 5.504 149 HG21 THR 17 HG21 THR 17 29.734 -6.994 4.450 150 HG22 THR 17 HG22 THR 17 28.389 -5.945 4.002 151 HG23 THR 17 HG23 THR 17 29.219 -5.709 5.539 152 H PHE 18 HN PHE 18 28.512 -4.994 1.820 153 HA PHE 18 HA PHE 18 27.080 -7.304 1.746 154 HB2 PHE 18 HB2 PHE 18 26.453 -4.848 1.033 155 HB3 PHE 18 HB1 PHE 18 26.797 -5.452 -0.590 156 HD1 PHE 18 HD1 PHE 18 24.755 -6.054 2.467 157 HD2 PHE 18 HD2 PHE 18 25.285 -6.916 -1.707 158 HE1 PHE 18 HE1 PHE 18 22.545 -7.176 2.418 159 HE2 PHE 18 HE2 PHE 18 23.075 -8.039 -1.756 160 HZ PHE 18 HZ PHE 18 21.704 -8.169 0.306 161 H LEU 19 HN LEU 19 29.144 -6.093 -0.899 162 HA LEU 19 HA LEU 19 28.691 -8.376 -2.571 163 HB2 LEU 19 HB2 LEU 19 30.655 -6.092 -2.606 164 HB3 LEU 19 HB1 LEU 19 30.800 -7.425 -3.747 165 HG LEU 19 HG LEU 19 29.467 -5.466 -4.614 166 HD11 LEU 19 HD11 LEU 19 28.321 -6.915 -5.913 167 HD12 LEU 19 HD12 LEU 19 27.380 -7.507 -4.546 168 HD13 LEU 19 HD13 LEU 19 28.964 -8.198 -4.890 169 HD21 LEU 19 HD21 LEU 19 28.432 -5.073 -2.294 170 HD22 LEU 19 HD22 LEU 19 27.336 -6.395 -2.689 171 HD23 LEU 19 HD23 LEU 19 27.347 -4.937 -3.679 172 H ALA 20 HN ALA 20 30.783 -7.733 0.094 173 HA ALA 20 HA ALA 20 32.724 -9.761 -0.640 174 HB1 ALA 20 HB1 ALA 20 33.998 -8.752 0.905 175 HB2 ALA 20 HB2 ALA 20 32.781 -9.008 2.155 176 HB3 ALA 20 HB3 ALA 20 32.699 -7.581 1.122 177 H PHE 21 HN PHE 21 30.164 -9.392 1.818 178 HA PHE 21 HA PHE 21 30.448 -12.157 2.654 179 HB2 PHE 21 HB2 PHE 21 28.541 -9.945 3.437 180 HB3 PHE 21 HB1 PHE 21 28.452 -11.579 4.096 181 HD1 PHE 21 HD1 PHE 21 30.905 -8.803 3.535 182 HD2 PHE 21 HD2 PHE 21 29.714 -12.117 5.994 183 HE1 PHE 21 HE1 PHE 21 32.695 -8.240 5.157 184 HE2 PHE 21 HE2 PHE 21 31.504 -11.555 7.617 185 HZ PHE 21 HZ PHE 21 32.993 -9.618 7.196 186 H GLY 22 HN GLY 22 28.325 -10.190 0.672 187 HA2 GLY 22 HA2 GLY 22 26.179 -11.959 0.339 188 HA3 GLY 22 HA1 GLY 22 26.677 -10.741 -0.828 189 H PHE 23 HN PHE 23 29.166 -11.589 -1.552 190 HA PHE 23 HA PHE 23 28.735 -13.404 -3.565 191 HB2 PHE 23 HB2 PHE 23 30.991 -12.085 -2.447 192 HB3 PHE 23 HB1 PHE 23 31.411 -13.785 -2.638 193 HD1 PHE 23 HD1 PHE 23 30.285 -14.811 -4.934 194 HD2 PHE 23 HD2 PHE 23 31.530 -10.751 -4.288 195 HE1 PHE 23 HE1 PHE 23 30.513 -14.490 -7.382 196 HE2 PHE 23 HE2 PHE 23 31.757 -10.429 -6.732 197 HZ PHE 23 HZ PHE 23 31.248 -12.299 -8.282 198 H TRP 24 HN TRP 24 29.015 -14.010 -0.212 199 HA TRP 24 HA TRP 24 29.437 -16.891 -0.658 200 HB2 TRP 24 HB2 TRP 24 31.049 -16.060 0.879 201 HB3 TRP 24 HB1 TRP 24 29.830 -15.137 1.761 202 HD1 TRP 24 HD1 TRP 24 30.261 -18.839 0.736 203 HE1 TRP 24 HE1 TRP 24 29.594 -20.313 2.748 204 HE3 TRP 24 HE3 TRP 24 28.995 -15.219 4.087 205 HZ2 TRP 24 HZ2 TRP 24 28.649 -19.991 5.422 206 HZ3 TRP 24 HZ3 TRP 24 28.212 -15.824 6.363 207 HH2 TRP 24 HH2 TRP 24 28.039 -18.203 7.034 208 H LEU 25 HN LEU 25 27.730 -14.908 1.748 209 HA LEU 25 HA LEU 25 25.931 -16.461 2.855 210 HB2 LEU 25 HB2 LEU 25 25.666 -13.731 1.747 211 HB3 LEU 25 HB1 LEU 25 24.164 -14.537 2.200 212 HG LEU 25 HG LEU 25 26.537 -14.537 4.055 213 HD11 LEU 25 HD11 LEU 25 25.583 -12.523 5.137 214 HD12 LEU 25 HD12 LEU 25 24.385 -12.407 3.849 215 HD13 LEU 25 HD13 LEU 25 26.095 -12.183 3.484 216 HD21 LEU 25 HD21 LEU 25 25.064 -15.387 5.574 217 HD22 LEU 25 HD22 LEU 25 24.106 -15.805 4.154 218 HD23 LEU 25 HD23 LEU 25 23.760 -14.324 5.045 219 H PHE 26 HN PHE 26 25.308 -15.194 -0.429 220 HA PHE 26 HA PHE 26 23.012 -16.870 -0.794 221 HB2 PHE 26 HB2 PHE 26 24.569 -15.631 -3.042 222 HB3 PHE 26 HB1 PHE 26 22.832 -15.901 -2.922 223 HD1 PHE 26 HD1 PHE 26 21.962 -14.806 -0.470 224 HD2 PHE 26 HD2 PHE 26 25.093 -13.373 -3.041 225 HE1 PHE 26 HE1 PHE 26 21.663 -12.523 0.444 226 HE2 PHE 26 HE2 PHE 26 24.789 -11.087 -2.126 227 HZ PHE 26 HZ PHE 26 23.083 -10.663 -0.379 228 H LYS 27 HN LYS 27 26.061 -16.788 -2.615 229 HA LYS 27 HA LYS 27 25.829 -19.113 -4.031 230 HB2 LYS 27 HB2 LYS 27 28.222 -17.728 -2.866 231 HB3 LYS 27 HB1 LYS 27 28.413 -19.224 -3.771 232 HG2 LYS 27 HG2 LYS 27 28.668 -17.217 -5.224 233 HG3 LYS 27 HG1 LYS 27 27.311 -18.226 -5.718 234 HD2 LYS 27 HD2 LYS 27 25.728 -16.732 -4.727 235 HD3 LYS 27 HD1 LYS 27 27.001 -15.834 -3.896 236 HE2 LYS 27 HE2 LYS 27 26.157 -14.670 -5.944 237 HE3 LYS 27 HE1 LYS 27 27.883 -15.031 -6.010 238 HZ1 LYS 27 HZ1 LYS 27 26.084 -15.704 -7.904 239 HZ2 LYS 27 HZ2 LYS 27 26.214 -17.146 -7.015 240 HZ3 LYS 27 HZ3 LYS 27 27.599 -16.439 -7.698 241 H TYR 28 HN TYR 28 25.954 -18.896 -0.656 242 HA TYR 28 HA TYR 28 26.737 -21.746 -0.426 243 HB2 TYR 28 HB2 TYR 28 28.248 -20.973 1.047 244 HB3 TYR 28 HB1 TYR 28 27.489 -19.386 1.123 245 HD1 TYR 28 HD2 TYR 28 26.947 -22.923 2.220 246 HD2 TYR 28 HD1 TYR 28 26.320 -18.758 3.052 247 HE1 TYR 28 HE2 TYR 28 25.948 -23.513 4.413 248 HE2 TYR 28 HE1 TYR 28 25.321 -19.346 5.246 249 HH TYR 28 HH TYR 28 24.201 -22.281 6.026 250 H LEU 29 HN LEU 29 24.656 -19.239 1.024 251 HA LEU 29 HA LEU 29 22.987 -21.253 2.271 252 HB2 LEU 29 HB2 LEU 29 23.578 -18.854 3.142 253 HB3 LEU 29 HB1 LEU 29 22.257 -18.346 2.089 254 HG LEU 29 HG LEU 29 21.124 -20.483 3.365 255 HD11 LEU 29 HD11 LEU 29 23.076 -20.733 4.853 256 HD12 LEU 29 HD12 LEU 29 21.649 -20.241 5.762 257 HD13 LEU 29 HD13 LEU 29 22.895 -19.058 5.371 258 HD21 LEU 29 HD21 LEU 29 20.105 -18.276 3.041 259 HD22 LEU 29 HD22 LEU 29 21.181 -17.584 4.255 260 HD23 LEU 29 HD23 LEU 29 19.958 -18.763 4.729 261 H GLN 30 HN GLN 30 22.661 -18.847 -0.323 262 HA GLN 30 HA GLN 30 19.971 -19.557 -0.986 263 HB2 GLN 30 HB2 GLN 30 20.852 -17.358 -1.527 264 HB3 GLN 30 HB1 GLN 30 22.092 -18.076 -2.553 265 HG2 GLN 30 HG2 GLN 30 20.656 -18.443 -4.268 266 HG3 GLN 30 HG1 GLN 30 19.335 -18.899 -3.196 267 HE21 GLN 30 HE21 GLN 30 20.986 -15.834 -2.646 268 HE22 GLN 30 HE22 GLN 30 19.722 -14.847 -3.203 269 H LYS 31 HN LYS 31 23.054 -20.896 -1.722 270 HA LYS 31 HA LYS 31 21.938 -22.458 -3.962 271 HB2 LYS 31 HB2 LYS 31 24.697 -21.629 -3.169 272 HB3 LYS 31 HB1 LYS 31 24.494 -23.127 -4.079 273 HG2 LYS 31 HG2 LYS 31 24.851 -21.137 -5.551 274 HG3 LYS 31 HG1 LYS 31 23.310 -21.944 -5.850 275 HD2 LYS 31 HD2 LYS 31 22.073 -20.257 -4.792 276 HD3 LYS 31 HD1 LYS 31 23.467 -19.673 -3.882 277 HE2 LYS 31 HE2 LYS 31 24.485 -18.816 -5.942 278 HE3 LYS 31 HE1 LYS 31 23.133 -19.443 -6.887 279 HZ1 LYS 31 HZ1 LYS 31 23.194 -16.971 -6.013 280 HZ2 LYS 31 HZ2 LYS 31 22.508 -17.692 -4.637 281 HZ3 LYS 31 HZ3 LYS 31 21.741 -17.837 -6.146 282 H LYS 32 HN LYS 32 21.664 -22.805 -0.909 283 HA LYS 32 HA LYS 32 22.988 -24.925 0.157 284 HB2 LYS 32 HB2 LYS 32 20.509 -23.655 0.623 285 HB3 LYS 32 HB1 LYS 32 20.175 -25.386 0.560 286 HG2 LYS 32 HG2 LYS 32 21.958 -25.806 2.201 287 HG3 LYS 32 HG1 LYS 32 22.331 -24.083 2.251 288 HD2 LYS 32 HD2 LYS 32 19.507 -24.924 2.768 289 HD3 LYS 32 HD1 LYS 32 20.697 -25.185 4.043 290 HE2 LYS 32 HE2 LYS 32 21.334 -22.809 3.950 291 HE3 LYS 32 HE1 LYS 32 20.163 -22.539 2.659 292 HZ1 LYS 32 HZ1 LYS 32 18.816 -22.029 4.361 293 HZ2 LYS 32 HZ2 LYS 32 19.739 -22.883 5.503 294 HZ3 LYS 32 HZ3 LYS 32 18.638 -23.710 4.508 Start of MODEL 29 1 H1 LYS 1 HT1 LYS 1 21.756 13.725 -3.550 2 H2 LYS 1 HT2 LYS 1 20.361 12.756 -3.567 3 H3 LYS 1 HT3 LYS 1 20.837 13.588 -4.970 4 HA LYS 1 HA LYS 1 21.343 11.082 -4.776 5 HB2 LYS 1 HB2 LYS 1 22.173 12.750 -6.510 6 HB3 LYS 1 HB1 LYS 1 23.603 12.963 -5.500 7 HG2 LYS 1 HG2 LYS 1 23.923 10.448 -5.602 8 HG3 LYS 1 HG1 LYS 1 22.656 10.413 -6.829 9 HD2 LYS 1 HD2 LYS 1 24.177 12.352 -7.885 10 HD3 LYS 1 HD1 LYS 1 25.433 11.485 -7.002 11 HE2 LYS 1 HE2 LYS 1 24.704 9.371 -8.097 12 HE3 LYS 1 HE1 LYS 1 23.525 10.289 -9.033 13 HZ1 LYS 1 HZ1 LYS 1 26.314 9.976 -9.472 14 HZ2 LYS 1 HZ2 LYS 1 25.907 11.621 -9.347 15 HZ3 LYS 1 HZ3 LYS 1 25.135 10.637 -10.497 16 H LYS 2 HN LYS 2 23.141 13.430 -2.865 17 HA LYS 2 HA LYS 2 25.128 11.654 -1.892 18 HB2 LYS 2 HB2 LYS 2 25.433 14.063 -1.760 19 HB3 LYS 2 HB1 LYS 2 24.013 14.220 -0.728 20 HG2 LYS 2 HG2 LYS 2 26.150 14.281 0.558 21 HG3 LYS 2 HG1 LYS 2 25.109 12.951 1.048 22 HD2 LYS 2 HD2 LYS 2 26.461 11.339 0.006 23 HD3 LYS 2 HD1 LYS 2 27.184 12.520 -1.088 24 HE2 LYS 2 HE2 LYS 2 27.642 12.392 1.906 25 HE3 LYS 2 HE1 LYS 2 28.777 11.842 0.674 26 HZ1 LYS 2 HZ1 LYS 2 28.498 14.406 1.692 27 HZ2 LYS 2 HZ2 LYS 2 27.938 14.468 0.089 28 HZ3 LYS 2 HZ3 LYS 2 29.504 13.902 0.425 29 H HIS 3 HN HIS 3 21.796 12.002 -1.195 30 HA HIS 3 HA HIS 3 20.404 11.013 0.332 31 HB2 HIS 3 HB2 HIS 3 21.563 9.013 -0.633 32 HB3 HIS 3 HB1 HIS 3 22.704 9.090 0.709 33 HD2 HIS 3 HD2 HIS 3 21.508 6.562 1.542 34 HE1 HIS 3 HE1 HIS 3 17.997 8.390 3.005 35 HE2 HIS 3 HE2 HIS 3 19.343 6.238 2.971 36 H THR 4 HN THR 4 22.139 9.404 2.507 37 HA THR 4 HA THR 4 22.344 11.715 4.346 38 HB THR 4 HB THR 4 20.600 10.238 5.091 39 HG1 THR 4 HG1 THR 4 21.407 9.779 7.074 40 HG21 THR 4 HG21 THR 4 22.342 8.232 3.957 41 HG22 THR 4 HG22 THR 4 20.648 8.092 4.423 42 HG23 THR 4 HG23 THR 4 21.912 7.793 5.611 43 H ILE 5 HN ILE 5 23.424 8.871 5.693 44 HA ILE 5 HA ILE 5 26.229 9.673 5.304 45 HB ILE 5 HB ILE 5 26.517 8.068 7.320 46 HG12 ILE 5 HG12 ILE 5 23.738 8.777 8.057 47 HG13 ILE 5 HG11 ILE 5 23.898 7.511 6.838 48 HG21 ILE 5 HG21 ILE 5 25.791 9.917 8.876 49 HG22 ILE 5 HG22 ILE 5 25.077 10.728 7.481 50 HG23 ILE 5 HG23 ILE 5 26.819 10.454 7.546 51 HD11 ILE 5 HD11 ILE 5 25.394 6.250 8.299 52 HD12 ILE 5 HD12 ILE 5 23.880 6.584 9.140 53 HD13 ILE 5 HD13 ILE 5 25.321 7.531 9.509 54 H TRP 6 HN TRP 6 23.923 7.154 4.742 55 HA TRP 6 HA TRP 6 25.381 4.860 4.483 56 HB2 TRP 6 HB2 TRP 6 22.942 5.909 3.360 57 HB3 TRP 6 HB1 TRP 6 23.810 4.969 2.146 58 HD1 TRP 6 HD1 TRP 6 22.608 2.715 2.167 59 HE1 TRP 6 HE1 TRP 6 22.077 0.941 3.953 60 HE3 TRP 6 HE3 TRP 6 24.053 5.236 6.356 61 HZ2 TRP 6 HZ2 TRP 6 22.246 0.631 6.785 62 HZ3 TRP 6 HZ3 TRP 6 23.858 4.181 8.590 63 HH2 TRP 6 HH2 TRP 6 22.956 1.881 8.812 64 H GLU 7 HN GLU 7 24.958 7.250 1.862 65 HA GLU 7 HA GLU 7 26.790 6.075 0.081 66 HB2 GLU 7 HB2 GLU 7 25.248 8.514 0.269 67 HB3 GLU 7 HB1 GLU 7 26.844 8.823 -0.416 68 HG2 GLU 7 HG2 GLU 7 25.002 6.612 -1.364 69 HG3 GLU 7 HG1 GLU 7 25.098 8.200 -2.123 70 H VAL 8 HN VAL 8 27.468 7.220 3.059 71 HA VAL 8 HA VAL 8 30.164 8.164 2.304 72 HB VAL 8 HB VAL 8 28.891 8.658 4.984 73 HG11 VAL 8 HG11 VAL 8 30.666 10.056 5.314 74 HG12 VAL 8 HG12 VAL 8 30.686 10.589 3.631 75 HG13 VAL 8 HG13 VAL 8 31.422 9.049 4.078 76 HG21 VAL 8 HG21 VAL 8 28.146 10.849 4.097 77 HG22 VAL 8 HG22 VAL 8 27.334 9.522 3.264 78 HG23 VAL 8 HG23 VAL 8 28.669 10.368 2.485 79 H ILE 9 HN ILE 9 28.306 6.019 4.394 80 HA ILE 9 HA ILE 9 30.815 4.670 5.162 81 HB ILE 9 HB ILE 9 29.997 5.366 7.192 82 HG12 ILE 9 HG12 ILE 9 29.793 2.690 6.817 83 HG13 ILE 9 HG11 ILE 9 29.460 3.479 8.345 84 HG21 ILE 9 HG21 ILE 9 27.508 5.419 7.706 85 HG22 ILE 9 HG22 ILE 9 27.251 5.109 5.986 86 HG23 ILE 9 HG23 ILE 9 28.096 6.564 6.508 87 HD11 ILE 9 HD11 ILE 9 27.276 3.050 6.302 88 HD12 ILE 9 HD12 ILE 9 27.112 3.415 8.015 89 HD13 ILE 9 HD13 ILE 9 27.685 1.830 7.502 90 H ALA 10 HN ALA 10 27.418 4.223 4.263 91 HA ALA 10 HA ALA 10 27.656 1.376 3.966 92 HB1 ALA 10 HB1 ALA 10 25.592 3.240 2.771 93 HB2 ALA 10 HB2 ALA 10 25.490 2.531 4.382 94 HB3 ALA 10 HB3 ALA 10 25.449 1.493 2.958 95 H GLY 11 HN GLY 11 26.988 3.859 1.481 96 HA2 GLY 11 HA2 GLY 11 27.595 2.333 -0.750 97 HA3 GLY 11 HA1 GLY 11 27.799 4.085 -0.670 98 H LEU 12 HN LEU 12 29.614 3.385 1.751 99 HA LEU 12 HA LEU 12 32.051 3.093 0.145 100 HB2 LEU 12 HB2 LEU 12 31.671 5.074 1.737 101 HB3 LEU 12 HB1 LEU 12 31.924 3.913 3.041 102 HG LEU 12 HG LEU 12 34.054 3.285 1.550 103 HD11 LEU 12 HD11 LEU 12 34.947 5.077 0.316 104 HD12 LEU 12 HD12 LEU 12 33.888 6.258 1.089 105 HD13 LEU 12 HD13 LEU 12 33.233 5.129 -0.098 106 HD21 LEU 12 HD21 LEU 12 35.359 4.853 2.971 107 HD22 LEU 12 HD22 LEU 12 34.117 4.010 3.897 108 HD23 LEU 12 HD23 LEU 12 33.864 5.683 3.403 109 H VAL 13 HN VAL 13 30.150 1.587 2.650 110 HA VAL 13 HA VAL 13 32.218 -0.514 2.944 111 HB VAL 13 HB VAL 13 30.011 0.237 4.876 112 HG11 VAL 13 HG11 VAL 13 31.949 -1.336 6.132 113 HG12 VAL 13 HG12 VAL 13 31.700 -2.116 4.570 114 HG13 VAL 13 HG13 VAL 13 30.333 -1.854 5.654 115 HG21 VAL 13 HG21 VAL 13 31.606 1.375 6.125 116 HG22 VAL 13 HG22 VAL 13 32.203 1.707 4.501 117 HG23 VAL 13 HG23 VAL 13 32.943 0.433 5.469 118 H ALA 14 HN ALA 14 28.668 -0.094 3.071 119 HA ALA 14 HA ALA 14 27.839 -2.684 2.859 120 HB1 ALA 14 HB1 ALA 14 26.346 -0.675 2.942 121 HB2 ALA 14 HB2 ALA 14 25.840 -1.882 1.760 122 HB3 ALA 14 HB3 ALA 14 26.670 -0.419 1.228 123 H LEU 15 HN LEU 15 28.999 -0.628 0.203 124 HA LEU 15 HA LEU 15 28.583 -2.593 -1.822 125 HB2 LEU 15 HB2 LEU 15 28.834 -0.155 -2.293 126 HB3 LEU 15 HB1 LEU 15 30.526 -0.265 -1.817 127 HG LEU 15 HG LEU 15 30.903 -1.954 -3.603 128 HD11 LEU 15 HD11 LEU 15 27.952 -1.589 -3.907 129 HD12 LEU 15 HD12 LEU 15 28.929 -3.044 -4.098 130 HD13 LEU 15 HD13 LEU 15 28.899 -1.828 -5.375 131 HD21 LEU 15 HD21 LEU 15 29.772 0.026 -5.341 132 HD22 LEU 15 HD22 LEU 15 31.460 -0.182 -4.873 133 HD23 LEU 15 HD23 LEU 15 30.394 0.834 -3.902 134 H LEU 16 HN LEU 16 31.176 -1.823 0.391 135 HA LEU 16 HA LEU 16 32.972 -3.778 -0.833 136 HB2 LEU 16 HB2 LEU 16 33.466 -2.180 1.677 137 HB3 LEU 16 HB1 LEU 16 34.655 -2.914 0.598 138 HG LEU 16 HG LEU 16 32.812 -0.600 -0.061 139 HD11 LEU 16 HD11 LEU 16 34.940 -0.266 1.375 140 HD12 LEU 16 HD12 LEU 16 34.757 0.751 -0.053 141 HD13 LEU 16 HD13 LEU 16 35.831 -0.646 -0.098 142 HD21 LEU 16 HD21 LEU 16 34.647 -2.305 -1.737 143 HD22 LEU 16 HD22 LEU 16 34.322 -0.630 -2.183 144 HD23 LEU 16 HD23 LEU 16 32.997 -1.790 -2.082 145 H THR 17 HN THR 17 30.387 -3.949 1.116 146 HA THR 17 HA THR 17 31.481 -6.214 2.670 147 HB THR 17 HB THR 17 29.650 -3.999 3.465 148 HG1 THR 17 HG1 THR 17 31.220 -5.409 5.238 149 HG21 THR 17 HG21 THR 17 29.448 -6.869 4.372 150 HG22 THR 17 HG22 THR 17 28.149 -5.782 3.883 151 HG23 THR 17 HG23 THR 17 28.973 -5.537 5.423 152 H PHE 18 HN PHE 18 28.326 -4.901 1.634 153 HA PHE 18 HA PHE 18 26.829 -7.189 1.634 154 HB2 PHE 18 HB2 PHE 18 26.217 -4.750 0.940 155 HB3 PHE 18 HB1 PHE 18 26.611 -5.299 -0.690 156 HD1 PHE 18 HD1 PHE 18 24.383 -5.813 2.220 157 HD2 PHE 18 HD2 PHE 18 25.222 -6.900 -1.850 158 HE1 PHE 18 HE1 PHE 18 22.171 -6.920 2.058 159 HE2 PHE 18 HE2 PHE 18 23.010 -8.007 -2.011 160 HZ PHE 18 HZ PHE 18 21.483 -8.017 -0.057 161 H LEU 19 HN LEU 19 29.074 -6.108 -0.889 162 HA LEU 19 HA LEU 19 28.494 -8.305 -2.652 163 HB2 LEU 19 HB2 LEU 19 30.596 -6.152 -2.573 164 HB3 LEU 19 HB1 LEU 19 30.698 -7.466 -3.740 165 HG LEU 19 HG LEU 19 29.513 -5.407 -4.600 166 HD11 LEU 19 HD11 LEU 19 28.328 -6.759 -5.970 167 HD12 LEU 19 HD12 LEU 19 27.307 -7.320 -4.649 168 HD13 LEU 19 HD13 LEU 19 28.856 -8.101 -4.956 169 HD21 LEU 19 HD21 LEU 19 27.394 -4.780 -3.720 170 HD22 LEU 19 HD22 LEU 19 28.427 -5.004 -2.309 171 HD23 LEU 19 HD23 LEU 19 27.270 -6.254 -2.763 172 H ALA 20 HN ALA 20 30.430 -7.913 0.133 173 HA ALA 20 HA ALA 20 32.229 -10.109 -0.577 174 HB1 ALA 20 HB1 ALA 20 32.446 -7.848 1.090 175 HB2 ALA 20 HB2 ALA 20 33.633 -9.135 0.875 176 HB3 ALA 20 HB3 ALA 20 32.438 -9.243 2.168 177 H PHE 21 HN PHE 21 29.809 -9.309 1.903 178 HA PHE 21 HA PHE 21 29.783 -11.974 2.989 179 HB2 PHE 21 HB2 PHE 21 28.062 -9.528 3.406 180 HB3 PHE 21 HB1 PHE 21 27.730 -11.067 4.203 181 HD1 PHE 21 HD2 PHE 21 30.608 -8.744 3.547 182 HD2 PHE 21 HD1 PHE 21 28.709 -11.453 6.288 183 HE1 PHE 21 HE2 PHE 21 32.334 -8.230 5.250 184 HE2 PHE 21 HE1 PHE 21 30.434 -10.938 7.992 185 HZ PHE 21 HZ PHE 21 32.245 -9.326 7.471 186 H GLY 22 HN GLY 22 27.671 -10.013 0.923 187 HA2 GLY 22 HA2 GLY 22 25.557 -11.796 0.585 188 HA3 GLY 22 HA1 GLY 22 26.076 -10.622 -0.623 189 H PHE 23 HN PHE 23 28.567 -11.476 -1.292 190 HA PHE 23 HA PHE 23 28.234 -13.349 -3.244 191 HB2 PHE 23 HB2 PHE 23 30.460 -12.104 -1.963 192 HB3 PHE 23 HB1 PHE 23 30.820 -13.818 -2.150 193 HD1 PHE 23 HD2 PHE 23 29.201 -11.049 -4.100 194 HD2 PHE 23 HD1 PHE 23 31.768 -14.493 -4.170 195 HE1 PHE 23 HE2 PHE 23 29.598 -10.706 -6.523 196 HE2 PHE 23 HE1 PHE 23 32.163 -14.150 -6.593 197 HZ PHE 23 HZ PHE 23 31.075 -12.260 -7.770 198 H TRP 24 HN TRP 24 29.935 -14.170 -0.229 199 HA TRP 24 HA TRP 24 29.768 -16.932 -0.476 200 HB2 TRP 24 HB2 TRP 24 31.224 -16.095 1.189 201 HB3 TRP 24 HB1 TRP 24 29.944 -15.144 1.944 202 HD1 TRP 24 HD1 TRP 24 30.662 -18.871 1.192 203 HE1 TRP 24 HE1 TRP 24 29.765 -20.275 3.160 204 HE3 TRP 24 HE3 TRP 24 28.644 -15.172 4.056 205 HZ2 TRP 24 HZ2 TRP 24 28.375 -19.877 5.623 206 HZ3 TRP 24 HZ3 TRP 24 27.535 -15.706 6.212 207 HH2 TRP 24 HH2 TRP 24 27.400 -18.053 6.997 208 H LEU 25 HN LEU 25 27.802 -15.025 1.791 209 HA LEU 25 HA LEU 25 25.966 -16.610 2.765 210 HB2 LEU 25 HB2 LEU 25 25.674 -13.930 1.531 211 HB3 LEU 25 HB1 LEU 25 24.181 -14.797 1.893 212 HG LEU 25 HG LEU 25 26.359 -14.660 3.946 213 HD11 LEU 25 HD11 LEU 25 25.325 -12.602 4.847 214 HD12 LEU 25 HD12 LEU 25 24.245 -12.543 3.454 215 HD13 LEU 25 HD13 LEU 25 25.983 -12.332 3.232 216 HD21 LEU 25 HD21 LEU 25 24.016 -15.989 3.907 217 HD22 LEU 25 HD22 LEU 25 23.451 -14.447 4.547 218 HD23 LEU 25 HD23 LEU 25 24.709 -15.347 5.395 219 H PHE 26 HN PHE 26 25.131 -15.243 -0.421 220 HA PHE 26 HA PHE 26 23.154 -17.199 -0.902 221 HB2 PHE 26 HB2 PHE 26 24.557 -15.626 -3.053 222 HB3 PHE 26 HB1 PHE 26 22.891 -16.201 -3.030 223 HD1 PHE 26 HD1 PHE 26 21.653 -15.445 -0.674 224 HD2 PHE 26 HD2 PHE 26 24.768 -13.323 -2.737 225 HE1 PHE 26 HE1 PHE 26 20.930 -13.338 0.404 226 HE2 PHE 26 HE2 PHE 26 24.045 -11.213 -1.654 227 HZ PHE 26 HZ PHE 26 22.127 -11.220 -0.083 228 H LYS 27 HN LYS 27 26.420 -16.821 -2.291 229 HA LYS 27 HA LYS 27 26.315 -19.160 -3.860 230 HB2 LYS 27 HB2 LYS 27 28.705 -17.687 -2.731 231 HB3 LYS 27 HB1 LYS 27 28.776 -18.922 -3.991 232 HG2 LYS 27 HG2 LYS 27 27.385 -17.576 -5.462 233 HG3 LYS 27 HG1 LYS 27 27.136 -16.378 -4.194 234 HD2 LYS 27 HD2 LYS 27 29.223 -15.471 -4.446 235 HD3 LYS 27 HD1 LYS 27 29.956 -17.016 -4.885 236 HE2 LYS 27 HE2 LYS 27 29.662 -15.175 -6.729 237 HE3 LYS 27 HE1 LYS 27 29.279 -16.852 -7.121 238 HZ1 LYS 27 HZ1 LYS 27 27.601 -14.888 -7.585 239 HZ2 LYS 27 HZ2 LYS 27 27.149 -15.212 -5.980 240 HZ3 LYS 27 HZ3 LYS 27 27.066 -16.439 -7.153 241 H TYR 28 HN TYR 28 25.779 -19.297 -0.767 242 HA TYR 28 HA TYR 28 27.161 -21.870 -0.457 243 HB2 TYR 28 HB2 TYR 28 28.560 -21.018 1.074 244 HB3 TYR 28 HB1 TYR 28 27.698 -19.486 1.117 245 HD1 TYR 28 HD1 TYR 28 27.256 -23.046 2.202 246 HD2 TYR 28 HD2 TYR 28 26.596 -18.893 3.082 247 HE1 TYR 28 HE1 TYR 28 26.275 -23.666 4.396 248 HE2 TYR 28 HE2 TYR 28 25.614 -19.513 5.274 249 HH TYR 28 HH TYR 28 25.167 -21.165 6.685 250 H LEU 29 HN LEU 29 24.734 -19.626 0.888 251 HA LEU 29 HA LEU 29 23.266 -21.856 2.059 252 HB2 LEU 29 HB2 LEU 29 23.473 -19.098 2.610 253 HB3 LEU 29 HB1 LEU 29 21.810 -19.371 2.094 254 HG LEU 29 HG LEU 29 23.255 -20.974 4.225 255 HD11 LEU 29 HD11 LEU 29 20.991 -19.591 5.234 256 HD12 LEU 29 HD12 LEU 29 21.939 -18.418 4.319 257 HD13 LEU 29 HD13 LEU 29 22.685 -19.319 5.638 258 HD21 LEU 29 HD21 LEU 29 21.575 -22.453 3.965 259 HD22 LEU 29 HD22 LEU 29 20.893 -21.470 2.668 260 HD23 LEU 29 HD23 LEU 29 20.415 -21.179 4.340 261 H GLN 30 HN GLN 30 22.844 -19.472 -0.535 262 HA GLN 30 HA GLN 30 20.284 -20.563 -1.331 263 HB2 GLN 30 HB2 GLN 30 20.555 -18.232 -1.695 264 HB3 GLN 30 HB1 GLN 30 22.112 -18.461 -2.483 265 HG2 GLN 30 HG2 GLN 30 21.155 -19.329 -4.435 266 HG3 GLN 30 HG1 GLN 30 19.622 -19.682 -3.635 267 HE21 GLN 30 HE21 GLN 30 20.823 -16.637 -2.649 268 HE22 GLN 30 HE22 GLN 30 19.895 -15.674 -3.692 269 H LYS 31 HN LYS 31 23.432 -21.558 -1.709 270 HA LYS 31 HA LYS 31 22.838 -22.938 -4.261 271 HB2 LYS 31 HB2 LYS 31 25.290 -21.651 -3.198 272 HB3 LYS 31 HB1 LYS 31 25.515 -23.176 -4.055 273 HG2 LYS 31 HG2 LYS 31 25.626 -21.187 -5.567 274 HG3 LYS 31 HG1 LYS 31 24.337 -22.309 -6.001 275 HD2 LYS 31 HD2 LYS 31 22.670 -20.867 -5.347 276 HD3 LYS 31 HD1 LYS 31 23.654 -20.139 -4.078 277 HE2 LYS 31 HE2 LYS 31 24.975 -18.941 -5.773 278 HE3 LYS 31 HE1 LYS 31 24.019 -19.685 -7.055 279 HZ1 LYS 31 HZ1 LYS 31 23.426 -17.330 -6.072 280 HZ2 LYS 31 HZ2 LYS 31 22.586 -18.272 -4.935 281 HZ3 LYS 31 HZ3 LYS 31 22.222 -18.406 -6.589 282 H LYS 32 HN LYS 32 22.445 -23.574 -1.235 283 HA LYS 32 HA LYS 32 24.004 -25.573 -0.268 284 HB2 LYS 32 HB2 LYS 32 21.364 -24.700 0.165 285 HB3 LYS 32 HB1 LYS 32 21.259 -26.443 -0.088 286 HG2 LYS 32 HG2 LYS 32 23.128 -26.724 1.577 287 HG3 LYS 32 HG1 LYS 32 23.011 -24.998 1.919 288 HD2 LYS 32 HD2 LYS 32 20.771 -27.020 2.237 289 HD3 LYS 32 HD1 LYS 32 21.701 -26.298 3.551 290 HE2 LYS 32 HE2 LYS 32 20.918 -24.036 2.365 291 HE3 LYS 32 HE1 LYS 32 19.600 -25.071 1.819 292 HZ1 LYS 32 HZ1 LYS 32 19.564 -23.825 4.141 293 HZ2 LYS 32 HZ2 LYS 32 20.344 -25.253 4.631 294 HZ3 LYS 32 HZ3 LYS 32 18.809 -25.325 3.905 Start of MODEL 30 1 H1 LYS 1 HT1 LYS 1 24.828 18.860 -1.356 2 H2 LYS 1 HT2 LYS 1 25.942 17.644 -0.949 3 H3 LYS 1 HT3 LYS 1 25.544 18.847 0.181 4 HA LYS 1 HA LYS 1 24.208 17.227 0.979 5 HB2 LYS 1 HB2 LYS 1 22.877 19.190 -0.169 6 HB3 LYS 1 HB1 LYS 1 22.380 17.930 -1.299 7 HG2 LYS 1 HG2 LYS 1 21.759 16.543 0.775 8 HG3 LYS 1 HG1 LYS 1 21.913 18.048 1.683 9 HD2 LYS 1 HD2 LYS 1 20.090 17.602 -0.701 10 HD3 LYS 1 HD1 LYS 1 19.576 17.688 0.985 11 HE2 LYS 1 HE2 LYS 1 19.206 19.882 0.312 12 HE3 LYS 1 HE1 LYS 1 20.854 20.002 0.929 13 HZ1 LYS 1 HZ1 LYS 1 20.189 20.856 -1.462 14 HZ2 LYS 1 HZ2 LYS 1 20.520 19.240 -1.868 15 HZ3 LYS 1 HZ3 LYS 1 21.719 20.199 -1.139 16 H LYS 2 HN LYS 2 24.033 15.068 0.913 17 HA LYS 2 HA LYS 2 23.499 13.687 -1.589 18 HB2 LYS 2 HB2 LYS 2 26.135 14.058 -0.903 19 HB3 LYS 2 HB1 LYS 2 25.791 12.497 -0.166 20 HG2 LYS 2 HG2 LYS 2 25.157 13.161 -3.064 21 HG3 LYS 2 HG1 LYS 2 26.640 12.372 -2.544 22 HD2 LYS 2 HD2 LYS 2 25.585 10.392 -2.577 23 HD3 LYS 2 HD1 LYS 2 24.493 10.963 -1.319 24 HE2 LYS 2 HE2 LYS 2 23.295 10.198 -3.376 25 HE3 LYS 2 HE1 LYS 2 22.977 11.886 -2.985 26 HZ1 LYS 2 HZ1 LYS 2 23.631 11.199 -5.390 27 HZ2 LYS 2 HZ2 LYS 2 25.213 11.228 -4.772 28 HZ3 LYS 2 HZ3 LYS 2 24.250 12.627 -4.719 29 H HIS 3 HN HIS 3 21.687 12.728 -0.841 30 HA HIS 3 HA HIS 3 20.281 11.531 0.562 31 HB2 HIS 3 HB2 HIS 3 21.637 9.828 -0.685 32 HB3 HIS 3 HB1 HIS 3 22.723 9.752 0.702 33 HD2 HIS 3 HD2 HIS 3 21.675 7.008 1.004 34 HE1 HIS 3 HE1 HIS 3 18.022 8.337 2.650 35 HE2 HIS 3 HE2 HIS 3 19.501 6.308 2.272 36 H THR 4 HN THR 4 22.154 9.701 2.456 37 HA THR 4 HA THR 4 22.087 11.623 4.707 38 HB THR 4 HB THR 4 20.431 9.929 5.100 39 HG1 THR 4 HG1 THR 4 22.242 10.422 6.715 40 HG21 THR 4 HG21 THR 4 22.295 8.279 3.659 41 HG22 THR 4 HG22 THR 4 20.625 7.927 4.103 42 HG23 THR 4 HG23 THR 4 21.932 7.522 5.211 43 H ILE 5 HN ILE 5 23.336 8.661 5.576 44 HA ILE 5 HA ILE 5 26.111 9.632 5.265 45 HB ILE 5 HB ILE 5 26.494 8.053 7.274 46 HG12 ILE 5 HG12 ILE 5 23.738 8.611 8.142 47 HG13 ILE 5 HG11 ILE 5 23.846 7.434 6.834 48 HG21 ILE 5 HG21 ILE 5 25.493 9.893 8.824 49 HG22 ILE 5 HG22 ILE 5 25.063 10.702 7.316 50 HG23 ILE 5 HG23 ILE 5 26.753 10.352 7.680 51 HD11 ILE 5 HD11 ILE 5 25.592 7.259 9.290 52 HD12 ILE 5 HD12 ILE 5 25.265 6.005 8.094 53 HD13 ILE 5 HD13 ILE 5 23.999 6.501 9.217 54 H TRP 6 HN TRP 6 23.874 7.054 4.694 55 HA TRP 6 HA TRP 6 25.379 4.798 4.430 56 HB2 TRP 6 HB2 TRP 6 22.956 5.819 3.233 57 HB3 TRP 6 HB1 TRP 6 23.878 4.885 2.054 58 HD1 TRP 6 HD1 TRP 6 22.695 2.615 2.053 59 HE1 TRP 6 HE1 TRP 6 22.139 0.844 3.837 60 HE3 TRP 6 HE3 TRP 6 23.994 5.180 6.263 61 HZ2 TRP 6 HZ2 TRP 6 22.235 0.557 6.675 62 HZ3 TRP 6 HZ3 TRP 6 23.753 4.136 8.498 63 HH2 TRP 6 HH2 TRP 6 22.874 1.829 8.711 64 H GLU 7 HN GLU 7 24.886 7.053 1.705 65 HA GLU 7 HA GLU 7 26.788 5.989 -0.005 66 HB2 GLU 7 HB2 GLU 7 25.328 8.497 0.249 67 HB3 GLU 7 HB1 GLU 7 26.913 8.709 -0.496 68 HG2 GLU 7 HG2 GLU 7 24.957 6.568 -1.362 69 HG3 GLU 7 HG1 GLU 7 25.023 8.164 -2.107 70 H VAL 8 HN VAL 8 27.358 7.388 2.999 71 HA VAL 8 HA VAL 8 30.096 8.200 2.280 72 HB VAL 8 HB VAL 8 28.824 8.634 4.972 73 HG11 VAL 8 HG11 VAL 8 30.726 10.482 3.592 74 HG12 VAL 8 HG12 VAL 8 31.359 8.967 4.238 75 HG13 VAL 8 HG13 VAL 8 30.561 10.120 5.311 76 HG21 VAL 8 HG21 VAL 8 28.658 10.428 2.527 77 HG22 VAL 8 HG22 VAL 8 28.114 10.856 4.148 78 HG23 VAL 8 HG23 VAL 8 27.300 9.571 3.257 79 H ILE 9 HN ILE 9 28.266 6.034 4.395 80 HA ILE 9 HA ILE 9 30.789 4.684 5.108 81 HB ILE 9 HB ILE 9 29.946 5.338 7.144 82 HG12 ILE 9 HG12 ILE 9 29.822 2.659 6.720 83 HG13 ILE 9 HG11 ILE 9 29.487 3.414 8.264 84 HG21 ILE 9 HG21 ILE 9 27.461 5.310 7.657 85 HG22 ILE 9 HG22 ILE 9 27.209 5.003 5.937 86 HG23 ILE 9 HG23 ILE 9 28.007 6.483 6.467 87 HD11 ILE 9 HD11 ILE 9 27.748 1.730 7.422 88 HD12 ILE 9 HD12 ILE 9 27.291 2.949 6.240 89 HD13 ILE 9 HD13 ILE 9 27.137 3.293 7.958 90 H ALA 10 HN ALA 10 27.387 4.162 4.240 91 HA ALA 10 HA ALA 10 27.664 1.337 3.897 92 HB1 ALA 10 HB1 ALA 10 25.476 1.454 2.834 93 HB2 ALA 10 HB2 ALA 10 25.613 3.206 2.686 94 HB3 ALA 10 HB3 ALA 10 25.484 2.462 4.281 95 H GLY 11 HN GLY 11 27.013 3.814 1.399 96 HA2 GLY 11 HA2 GLY 11 27.675 2.287 -0.817 97 HA3 GLY 11 HA1 GLY 11 27.853 4.041 -0.742 98 H LEU 12 HN LEU 12 29.644 3.367 1.710 99 HA LEU 12 HA LEU 12 32.104 3.101 0.135 100 HB2 LEU 12 HB2 LEU 12 31.698 5.093 1.692 101 HB3 LEU 12 HB1 LEU 12 31.918 3.954 3.019 102 HG LEU 12 HG LEU 12 34.083 3.309 1.568 103 HD11 LEU 12 HD11 LEU 12 33.356 5.123 -0.112 104 HD12 LEU 12 HD12 LEU 12 35.035 5.163 0.429 105 HD13 LEU 12 HD13 LEU 12 33.860 6.288 1.113 106 HD21 LEU 12 HD21 LEU 12 34.167 3.972 3.903 107 HD22 LEU 12 HD22 LEU 12 33.797 5.644 3.484 108 HD23 LEU 12 HD23 LEU 12 35.343 4.939 3.015 109 H VAL 13 HN VAL 13 30.182 1.585 2.610 110 HA VAL 13 HA VAL 13 32.263 -0.498 2.939 111 HB VAL 13 HB VAL 13 30.069 0.286 4.873 112 HG11 VAL 13 HG11 VAL 13 30.488 -2.058 5.100 113 HG12 VAL 13 HG12 VAL 13 31.411 -1.273 6.380 114 HG13 VAL 13 HG13 VAL 13 32.228 -1.833 4.920 115 HG21 VAL 13 HG21 VAL 13 31.701 1.390 6.127 116 HG22 VAL 13 HG22 VAL 13 32.227 1.764 4.486 117 HG23 VAL 13 HG23 VAL 13 33.021 0.481 5.395 118 H ALA 14 HN ALA 14 28.714 -0.079 3.075 119 HA ALA 14 HA ALA 14 27.895 -2.676 2.892 120 HB1 ALA 14 HB1 ALA 14 25.895 -1.880 1.747 121 HB2 ALA 14 HB2 ALA 14 26.720 -0.390 1.292 122 HB3 ALA 14 HB3 ALA 14 26.367 -0.720 2.988 123 H LEU 15 HN LEU 15 29.041 -0.631 0.226 124 HA LEU 15 HA LEU 15 28.616 -2.596 -1.795 125 HB2 LEU 15 HB2 LEU 15 28.869 -0.160 -2.267 126 HB3 LEU 15 HB1 LEU 15 30.561 -0.270 -1.790 127 HG LEU 15 HG LEU 15 30.939 -1.955 -3.578 128 HD11 LEU 15 HD11 LEU 15 28.965 -3.045 -4.071 129 HD12 LEU 15 HD12 LEU 15 28.941 -1.833 -5.352 130 HD13 LEU 15 HD13 LEU 15 27.990 -1.586 -3.888 131 HD21 LEU 15 HD21 LEU 15 30.354 -0.292 -5.522 132 HD22 LEU 15 HD22 LEU 15 31.519 0.195 -4.293 133 HD23 LEU 15 HD23 LEU 15 29.857 0.777 -4.212 134 H LEU 16 HN LEU 16 31.213 -1.838 0.417 135 HA LEU 16 HA LEU 16 33.011 -3.782 -0.817 136 HB2 LEU 16 HB2 LEU 16 33.489 -2.220 1.718 137 HB3 LEU 16 HB1 LEU 16 34.685 -2.942 0.639 138 HG LEU 16 HG LEU 16 32.860 -0.608 0.005 139 HD11 LEU 16 HD11 LEU 16 34.964 -0.283 1.448 140 HD12 LEU 16 HD12 LEU 16 34.835 0.717 0.002 141 HD13 LEU 16 HD13 LEU 16 35.880 -0.703 0.001 142 HD21 LEU 16 HD21 LEU 16 34.369 -0.617 -2.117 143 HD22 LEU 16 HD22 LEU 16 33.037 -1.773 -2.034 144 HD23 LEU 16 HD23 LEU 16 34.685 -2.302 -1.694 145 H THR 17 HN THR 17 30.436 -3.918 1.200 146 HA THR 17 HA THR 17 31.516 -6.224 2.701 147 HB THR 17 HB THR 17 29.685 -4.014 3.512 148 HG1 THR 17 HG1 THR 17 32.012 -4.509 4.101 149 HG21 THR 17 HG21 THR 17 28.182 -5.799 3.913 150 HG22 THR 17 HG22 THR 17 29.003 -5.567 5.455 151 HG23 THR 17 HG23 THR 17 29.480 -6.891 4.396 152 H PHE 18 HN PHE 18 28.363 -4.902 1.673 153 HA PHE 18 HA PHE 18 26.867 -7.188 1.657 154 HB2 PHE 18 HB2 PHE 18 26.257 -4.744 0.981 155 HB3 PHE 18 HB1 PHE 18 26.647 -5.284 -0.655 156 HD1 PHE 18 HD2 PHE 18 24.419 -5.797 2.253 157 HD2 PHE 18 HD1 PHE 18 25.260 -6.891 -1.814 158 HE1 PHE 18 HE2 PHE 18 22.206 -6.901 2.093 159 HE2 PHE 18 HE1 PHE 18 23.047 -7.995 -1.975 160 HZ PHE 18 HZ PHE 18 21.517 -8.000 -0.022 161 H LEU 19 HN LEU 19 29.112 -6.095 -0.859 162 HA LEU 19 HA LEU 19 28.527 -8.278 -2.637 163 HB2 LEU 19 HB2 LEU 19 30.630 -6.127 -2.543 164 HB3 LEU 19 HB1 LEU 19 30.738 -7.438 -3.714 165 HG LEU 19 HG LEU 19 29.550 -5.373 -4.565 166 HD11 LEU 19 HD11 LEU 19 27.350 -7.283 -4.653 167 HD12 LEU 19 HD12 LEU 19 28.900 -8.072 -4.935 168 HD13 LEU 19 HD13 LEU 19 28.397 -6.726 -5.957 169 HD21 LEU 19 HD21 LEU 19 28.448 -4.989 -2.280 170 HD22 LEU 19 HD22 LEU 19 27.305 -6.250 -2.743 171 HD23 LEU 19 HD23 LEU 19 27.418 -4.770 -3.695 172 H ALA 20 HN ALA 20 30.465 -7.913 0.151 173 HA ALA 20 HA ALA 20 32.255 -10.112 -0.576 174 HB1 ALA 20 HB1 ALA 20 32.483 -7.864 1.110 175 HB2 ALA 20 HB2 ALA 20 33.666 -9.150 0.881 176 HB3 ALA 20 HB3 ALA 20 32.474 -9.269 2.175 177 H PHE 21 HN PHE 21 29.840 -9.317 1.908 178 HA PHE 21 HA PHE 21 29.803 -11.986 2.983 179 HB2 PHE 21 HB2 PHE 21 28.090 -9.535 3.410 180 HB3 PHE 21 HB1 PHE 21 27.755 -11.076 4.200 181 HD1 PHE 21 HD2 PHE 21 30.643 -8.764 3.553 182 HD2 PHE 21 HD1 PHE 21 28.726 -11.465 6.288 183 HE1 PHE 21 HE2 PHE 21 32.366 -8.256 5.260 184 HE2 PHE 21 HE1 PHE 21 30.449 -10.954 7.997 185 HZ PHE 21 HZ PHE 21 32.268 -9.350 7.482 186 H GLY 22 HN GLY 22 27.671 -9.997 0.959 187 HA2 GLY 22 HA2 GLY 22 25.560 -11.770 0.600 188 HA3 GLY 22 HA1 GLY 22 26.086 -10.594 -0.602 189 H PHE 23 HN PHE 23 28.576 -11.460 -1.268 190 HA PHE 23 HA PHE 23 28.233 -13.319 -3.233 191 HB2 PHE 23 HB2 PHE 23 30.461 -12.084 -1.952 192 HB3 PHE 23 HB1 PHE 23 30.819 -13.799 -2.139 193 HD1 PHE 23 HD1 PHE 23 29.189 -11.036 -4.090 194 HD2 PHE 23 HD2 PHE 23 31.780 -14.463 -4.157 195 HE1 PHE 23 HE1 PHE 23 29.582 -10.692 -6.513 196 HE2 PHE 23 HE2 PHE 23 32.172 -14.118 -6.579 197 HZ PHE 23 HZ PHE 23 31.070 -12.237 -7.758 198 H TRP 24 HN TRP 24 29.933 -14.167 -0.224 199 HA TRP 24 HA TRP 24 29.759 -16.924 -0.490 200 HB2 TRP 24 HB2 TRP 24 31.214 -16.100 1.183 201 HB3 TRP 24 HB1 TRP 24 29.933 -15.157 1.945 202 HD1 TRP 24 HD1 TRP 24 30.667 -18.874 1.170 203 HE1 TRP 24 HE1 TRP 24 29.760 -20.297 3.122 204 HE3 TRP 24 HE3 TRP 24 28.604 -15.206 4.039 205 HZ2 TRP 24 HZ2 TRP 24 28.347 -19.922 5.575 206 HZ3 TRP 24 HZ3 TRP 24 27.480 -15.760 6.182 207 HH2 TRP 24 HH2 TRP 24 27.350 -18.113 6.951 208 H LEU 25 HN LEU 25 27.780 -15.012 1.762 209 HA LEU 25 HA LEU 25 25.941 -16.605 2.725 210 HB2 LEU 25 HB2 LEU 25 25.664 -13.919 1.509 211 HB3 LEU 25 HB1 LEU 25 24.164 -14.785 1.848 212 HG LEU 25 HG LEU 25 26.330 -14.657 3.920 213 HD11 LEU 25 HD11 LEU 25 25.945 -12.328 3.240 214 HD12 LEU 25 HD12 LEU 25 25.249 -12.622 4.834 215 HD13 LEU 25 HD13 LEU 25 24.205 -12.554 3.414 216 HD21 LEU 25 HD21 LEU 25 23.426 -14.469 4.532 217 HD22 LEU 25 HD22 LEU 25 24.688 -15.398 5.343 218 HD23 LEU 25 HD23 LEU 25 23.979 -15.996 3.843 219 H PHE 26 HN PHE 26 25.125 -15.216 -0.456 220 HA PHE 26 HA PHE 26 23.155 -17.172 -0.957 221 HB2 PHE 26 HB2 PHE 26 24.561 -15.575 -3.088 222 HB3 PHE 26 HB1 PHE 26 22.898 -16.165 -3.086 223 HD1 PHE 26 HD2 PHE 26 21.621 -15.441 -0.751 224 HD2 PHE 26 HD1 PHE 26 24.762 -13.278 -2.730 225 HE1 PHE 26 HE2 PHE 26 20.876 -13.354 0.347 226 HE2 PHE 26 HE1 PHE 26 24.014 -11.188 -1.628 227 HZ PHE 26 HZ PHE 26 22.073 -11.225 -0.088 228 H LYS 27 HN LYS 27 26.470 -16.810 -2.214 229 HA LYS 27 HA LYS 27 26.351 -19.157 -3.813 230 HB2 LYS 27 HB2 LYS 27 28.740 -17.648 -2.731 231 HB3 LYS 27 HB1 LYS 27 28.804 -18.894 -3.981 232 HG2 LYS 27 HG2 LYS 27 27.408 -17.570 -5.457 233 HG3 LYS 27 HG1 LYS 27 27.135 -16.371 -4.192 234 HD2 LYS 27 HD2 LYS 27 29.212 -15.435 -4.437 235 HD3 LYS 27 HD1 LYS 27 29.965 -16.968 -4.877 236 HE2 LYS 27 HE2 LYS 27 29.649 -15.129 -6.719 237 HE3 LYS 27 HE1 LYS 27 29.294 -16.812 -7.112 238 HZ1 LYS 27 HZ1 LYS 27 27.074 -16.436 -7.153 239 HZ2 LYS 27 HZ2 LYS 27 27.584 -14.871 -7.577 240 HZ3 LYS 27 HZ3 LYS 27 27.130 -15.216 -5.977 241 H TYR 28 HN TYR 28 25.617 -19.450 -0.908 242 HA TYR 28 HA TYR 28 27.077 -21.925 -0.477 243 HB2 TYR 28 HB2 TYR 28 28.506 -21.050 1.020 244 HB3 TYR 28 HB1 TYR 28 27.644 -19.518 1.062 245 HD1 TYR 28 HD1 TYR 28 27.216 -23.069 2.180 246 HD2 TYR 28 HD2 TYR 28 26.559 -18.909 3.031 247 HE1 TYR 28 HE1 TYR 28 26.250 -23.673 4.383 248 HE2 TYR 28 HE2 TYR 28 25.591 -19.515 5.235 249 HH TYR 28 HH TYR 28 25.073 -22.896 6.148 250 H LEU 29 HN LEU 29 24.703 -19.621 0.854 251 HA LEU 29 HA LEU 29 23.210 -21.801 2.080 252 HB2 LEU 29 HB2 LEU 29 23.485 -19.054 2.604 253 HB3 LEU 29 HB1 LEU 29 21.820 -19.267 2.065 254 HG LEU 29 HG LEU 29 23.170 -20.897 4.237 255 HD11 LEU 29 HD11 LEU 29 22.771 -18.591 4.959 256 HD12 LEU 29 HD12 LEU 29 21.619 -19.670 5.745 257 HD13 LEU 29 HD13 LEU 29 21.107 -18.678 4.379 258 HD21 LEU 29 HD21 LEU 29 21.468 -22.336 3.894 259 HD22 LEU 29 HD22 LEU 29 20.777 -21.283 2.658 260 HD23 LEU 29 HD23 LEU 29 20.350 -21.051 4.353 261 H GLN 30 HN GLN 30 22.741 -19.400 -0.497 262 HA GLN 30 HA GLN 30 20.183 -20.467 -1.277 263 HB2 GLN 30 HB2 GLN 30 20.497 -18.174 -1.751 264 HB3 GLN 30 HB1 GLN 30 22.079 -18.455 -2.464 265 HG2 GLN 30 HG2 GLN 30 21.186 -19.385 -4.420 266 HG3 GLN 30 HG1 GLN 30 19.604 -19.649 -3.677 267 HE21 GLN 30 HE21 GLN 30 20.881 -16.616 -2.751 268 HE22 GLN 30 HE22 GLN 30 20.040 -15.659 -3.870 269 H LYS 31 HN LYS 31 23.264 -21.600 -1.557 270 HA LYS 31 HA LYS 31 22.734 -22.990 -4.110 271 HB2 LYS 31 HB2 LYS 31 25.150 -21.858 -2.880 272 HB3 LYS 31 HB1 LYS 31 25.367 -23.503 -3.474 273 HG2 LYS 31 HG2 LYS 31 25.894 -21.914 -5.254 274 HG3 LYS 31 HG1 LYS 31 24.430 -22.800 -5.675 275 HD2 LYS 31 HD2 LYS 31 23.610 -20.535 -4.164 276 HD3 LYS 31 HD1 LYS 31 24.782 -19.963 -5.350 277 HE2 LYS 31 HE2 LYS 31 23.496 -21.227 -7.118 278 HE3 LYS 31 HE1 LYS 31 22.257 -21.543 -5.902 279 HZ1 LYS 31 HZ1 LYS 31 22.696 -19.203 -7.424 280 HZ2 LYS 31 HZ2 LYS 31 22.820 -18.839 -5.769 281 HZ3 LYS 31 HZ3 LYS 31 21.412 -19.570 -6.378 282 H LYS 32 HN LYS 32 24.186 -23.480 -0.896 283 HA LYS 32 HA LYS 32 24.431 -25.369 0.393 284 HB2 LYS 32 HB2 LYS 32 21.700 -25.043 -0.329 285 HB3 LYS 32 HB1 LYS 32 22.049 -26.772 -0.339 286 HG2 LYS 32 HG2 LYS 32 22.971 -26.634 1.919 287 HG3 LYS 32 HG1 LYS 32 22.734 -24.886 1.934 288 HD2 LYS 32 HD2 LYS 32 20.274 -26.227 1.209 289 HD3 LYS 32 HD1 LYS 32 20.883 -26.848 2.744 290 HE2 LYS 32 HE2 LYS 32 20.991 -24.622 3.679 291 HE3 LYS 32 HE1 LYS 32 20.612 -23.895 2.117 292 HZ1 LYS 32 HZ1 LYS 32 18.663 -23.993 3.530 293 HZ2 LYS 32 HZ2 LYS 32 18.826 -25.676 3.683 294 HZ3 LYS 32 HZ3 LYS 32 18.458 -24.989 2.173 Start of MODEL 31 1 H1 LYS 1 HT1 LYS 1 23.617 17.302 0.935 2 H2 LYS 1 HT2 LYS 1 23.795 16.750 -0.661 3 H3 LYS 1 HT3 LYS 1 23.761 15.641 0.625 4 HA LYS 1 HA LYS 1 21.462 16.307 1.119 5 HB2 LYS 1 HB2 LYS 1 21.633 18.565 0.104 6 HB3 LYS 1 HB1 LYS 1 21.764 17.824 -1.491 7 HG2 LYS 1 HG2 LYS 1 19.551 17.024 -1.438 8 HG3 LYS 1 HG1 LYS 1 19.438 17.187 0.315 9 HD2 LYS 1 HD2 LYS 1 19.068 19.467 0.220 10 HD3 LYS 1 HD1 LYS 1 19.948 19.654 -1.297 11 HE2 LYS 1 HE2 LYS 1 17.431 19.914 -1.486 12 HE3 LYS 1 HE1 LYS 1 18.137 18.708 -2.560 13 HZ1 LYS 1 HZ1 LYS 1 16.156 18.337 -0.640 14 HZ2 LYS 1 HZ2 LYS 1 17.534 17.506 -0.094 15 HZ3 LYS 1 HZ3 LYS 1 16.884 17.163 -1.625 16 H LYS 2 HN LYS 2 23.485 14.937 -1.155 17 HA LYS 2 HA LYS 2 21.787 13.740 -3.021 18 HB2 LYS 2 HB2 LYS 2 23.580 11.884 -2.993 19 HB3 LYS 2 HB1 LYS 2 24.092 13.513 -3.431 20 HG2 LYS 2 HG2 LYS 2 25.367 13.747 -1.567 21 HG3 LYS 2 HG1 LYS 2 24.167 12.969 -0.535 22 HD2 LYS 2 HD2 LYS 2 24.861 10.758 -1.391 23 HD3 LYS 2 HD1 LYS 2 26.068 11.535 -2.416 24 HE2 LYS 2 HE2 LYS 2 27.396 11.049 -0.594 25 HE3 LYS 2 HE1 LYS 2 26.794 12.626 -0.087 26 HZ1 LYS 2 HZ1 LYS 2 26.555 10.341 1.332 27 HZ2 LYS 2 HZ2 LYS 2 25.036 10.451 0.577 28 HZ3 LYS 2 HZ3 LYS 2 25.601 11.725 1.548 29 H HIS 3 HN HIS 3 22.564 12.813 0.290 30 HA HIS 3 HA HIS 3 20.169 11.268 0.536 31 HB2 HIS 3 HB2 HIS 3 21.677 9.702 -0.746 32 HB3 HIS 3 HB1 HIS 3 22.752 9.701 0.651 33 HD2 HIS 3 HD2 HIS 3 21.919 6.876 0.914 34 HE1 HIS 3 HE1 HIS 3 18.161 7.898 2.542 35 HE2 HIS 3 HE2 HIS 3 19.798 5.996 2.158 36 H THR 4 HN THR 4 22.146 9.586 2.417 37 HA THR 4 HA THR 4 22.080 11.553 4.631 38 HB THR 4 HB THR 4 20.420 9.869 5.074 39 HG1 THR 4 HG1 THR 4 21.185 9.846 7.008 40 HG21 THR 4 HG21 THR 4 21.948 7.477 5.255 41 HG22 THR 4 HG22 THR 4 22.265 8.182 3.669 42 HG23 THR 4 HG23 THR 4 20.611 7.826 4.165 43 H ILE 5 HN ILE 5 23.329 8.647 5.618 44 HA ILE 5 HA ILE 5 26.100 9.599 5.241 45 HB ILE 5 HB ILE 5 26.504 8.049 7.265 46 HG12 ILE 5 HG12 ILE 5 23.744 8.603 8.138 47 HG13 ILE 5 HG11 ILE 5 23.862 7.402 6.850 48 HG21 ILE 5 HG21 ILE 5 25.273 9.961 8.723 49 HG22 ILE 5 HG22 ILE 5 25.255 10.742 7.142 50 HG23 ILE 5 HG23 ILE 5 26.785 10.243 7.862 51 HD11 ILE 5 HD11 ILE 5 24.030 6.526 9.259 52 HD12 ILE 5 HD12 ILE 5 25.621 7.285 9.299 53 HD13 ILE 5 HD13 ILE 5 25.284 6.004 8.133 54 H TRP 6 HN TRP 6 23.860 7.034 4.686 55 HA TRP 6 HA TRP 6 25.368 4.767 4.451 56 HB2 TRP 6 HB2 TRP 6 22.926 5.764 3.287 57 HB3 TRP 6 HB1 TRP 6 23.831 4.837 2.091 58 HD1 TRP 6 HD1 TRP 6 22.684 2.555 2.105 59 HE1 TRP 6 HE1 TRP 6 22.162 0.780 3.895 60 HE3 TRP 6 HE3 TRP 6 23.995 5.138 6.300 61 HZ2 TRP 6 HZ2 TRP 6 22.282 0.498 6.732 62 HZ3 TRP 6 HZ3 TRP 6 23.781 4.094 8.539 63 HH2 TRP 6 HH2 TRP 6 22.927 1.778 8.761 64 H GLU 7 HN GLU 7 24.916 7.127 1.808 65 HA GLU 7 HA GLU 7 26.761 6.004 0.034 66 HB2 GLU 7 HB2 GLU 7 25.244 8.448 0.268 67 HB3 GLU 7 HB1 GLU 7 26.856 8.776 -0.368 68 HG2 GLU 7 HG2 GLU 7 25.022 6.614 -1.437 69 HG3 GLU 7 HG1 GLU 7 25.162 8.225 -2.143 70 H VAL 8 HN VAL 8 27.375 7.340 3.035 71 HA VAL 8 HA VAL 8 30.105 8.172 2.299 72 HB VAL 8 HB VAL 8 28.813 8.602 4.987 73 HG11 VAL 8 HG11 VAL 8 31.353 8.875 4.408 74 HG12 VAL 8 HG12 VAL 8 30.538 10.144 5.324 75 HG13 VAL 8 HG13 VAL 8 30.825 10.349 3.596 76 HG21 VAL 8 HG21 VAL 8 28.164 10.843 4.163 77 HG22 VAL 8 HG22 VAL 8 27.338 9.578 3.256 78 HG23 VAL 8 HG23 VAL 8 28.722 10.410 2.548 79 H ILE 9 HN ILE 9 28.273 6.009 4.415 80 HA ILE 9 HA ILE 9 30.791 4.650 5.125 81 HB ILE 9 HB ILE 9 29.952 5.302 7.163 82 HG12 ILE 9 HG12 ILE 9 29.808 2.624 6.736 83 HG13 ILE 9 HG11 ILE 9 29.479 3.380 8.280 84 HG21 ILE 9 HG21 ILE 9 27.468 5.292 7.677 85 HG22 ILE 9 HG22 ILE 9 27.213 4.990 5.956 86 HG23 ILE 9 HG23 ILE 9 28.023 6.462 6.487 87 HD11 ILE 9 HD11 ILE 9 27.129 3.279 7.977 88 HD12 ILE 9 HD12 ILE 9 27.725 1.711 7.437 89 HD13 ILE 9 HD13 ILE 9 27.278 2.936 6.257 90 H ALA 10 HN ALA 10 27.386 4.134 4.260 91 HA ALA 10 HA ALA 10 27.674 1.310 3.904 92 HB1 ALA 10 HB1 ALA 10 25.493 2.437 4.314 93 HB2 ALA 10 HB2 ALA 10 25.475 1.406 2.884 94 HB3 ALA 10 HB3 ALA 10 25.598 3.156 2.707 95 H GLY 11 HN GLY 11 27.007 3.814 1.438 96 HA2 GLY 11 HA2 GLY 11 27.651 2.301 -0.797 97 HA3 GLY 11 HA1 GLY 11 27.818 4.055 -0.711 98 H LEU 12 HN LEU 12 29.626 3.339 1.729 99 HA LEU 12 HA LEU 12 32.081 3.108 0.136 100 HB2 LEU 12 HB2 LEU 12 31.669 5.094 1.701 101 HB3 LEU 12 HB1 LEU 12 31.906 3.952 3.025 102 HG LEU 12 HG LEU 12 34.064 3.328 1.547 103 HD11 LEU 12 HD11 LEU 12 33.598 6.284 1.044 104 HD12 LEU 12 HD12 LEU 12 33.496 5.021 -0.183 105 HD13 LEU 12 HD13 LEU 12 35.040 5.371 0.598 106 HD21 LEU 12 HD21 LEU 12 35.330 4.923 3.014 107 HD22 LEU 12 HD22 LEU 12 34.138 3.968 3.897 108 HD23 LEU 12 HD23 LEU 12 33.793 5.648 3.485 109 H VAL 13 HN VAL 13 30.177 1.570 2.612 110 HA VAL 13 HA VAL 13 32.272 -0.501 2.928 111 HB VAL 13 HB VAL 13 30.083 0.260 4.876 112 HG11 VAL 13 HG11 VAL 13 32.044 -1.294 6.125 113 HG12 VAL 13 HG12 VAL 13 31.772 -2.092 4.575 114 HG13 VAL 13 HG13 VAL 13 30.422 -1.820 5.676 115 HG21 VAL 13 HG21 VAL 13 33.031 0.480 5.398 116 HG22 VAL 13 HG22 VAL 13 31.702 1.390 6.117 117 HG23 VAL 13 HG23 VAL 13 32.235 1.754 4.475 118 H ALA 14 HN ALA 14 28.724 -0.090 3.066 119 HA ALA 14 HA ALA 14 27.907 -2.690 2.888 120 HB1 ALA 14 HB1 ALA 14 25.914 -1.890 1.702 121 HB2 ALA 14 HB2 ALA 14 26.740 -0.380 1.313 122 HB3 ALA 14 HB3 ALA 14 26.357 -0.770 2.991 123 H LEU 15 HN LEU 15 29.062 -0.646 0.227 124 HA LEU 15 HA LEU 15 28.640 -2.611 -1.796 125 HB2 LEU 15 HB2 LEU 15 28.896 -0.174 -2.267 126 HB3 LEU 15 HB1 LEU 15 30.587 -0.287 -1.787 127 HG LEU 15 HG LEU 15 30.969 -1.971 -3.573 128 HD11 LEU 15 HD11 LEU 15 28.972 -1.848 -5.350 129 HD12 LEU 15 HD12 LEU 15 28.019 -1.607 -3.886 130 HD13 LEU 15 HD13 LEU 15 28.996 -3.061 -4.071 131 HD21 LEU 15 HD21 LEU 15 31.454 0.325 -4.118 132 HD22 LEU 15 HD22 LEU 15 29.747 0.677 -4.393 133 HD23 LEU 15 HD23 LEU 15 30.622 -0.374 -5.507 134 H LEU 16 HN LEU 16 31.234 -1.850 0.421 135 HA LEU 16 HA LEU 16 33.037 -3.792 -0.809 136 HB2 LEU 16 HB2 LEU 16 33.504 -2.249 1.740 137 HB3 LEU 16 HB1 LEU 16 34.702 -2.958 0.657 138 HG LEU 16 HG LEU 16 32.870 -0.625 0.036 139 HD11 LEU 16 HD11 LEU 16 34.853 0.705 0.040 140 HD12 LEU 16 HD12 LEU 16 35.894 -0.718 0.081 141 HD13 LEU 16 HD13 LEU 16 34.942 -0.278 1.500 142 HD21 LEU 16 HD21 LEU 16 34.727 -2.286 -1.664 143 HD22 LEU 16 HD22 LEU 16 34.390 -0.603 -2.076 144 HD23 LEU 16 HD23 LEU 16 33.074 -1.776 -2.011 145 H THR 17 HN THR 17 30.453 -3.928 1.203 146 HA THR 17 HA THR 17 31.521 -6.247 2.694 147 HB THR 17 HB THR 17 29.690 -4.039 3.511 148 HG1 THR 17 HG1 THR 17 31.796 -5.549 4.623 149 HG21 THR 17 HG21 THR 17 28.186 -5.825 3.900 150 HG22 THR 17 HG22 THR 17 29.006 -5.601 5.445 151 HG23 THR 17 HG23 THR 17 29.483 -6.921 4.379 152 H PHE 18 HN PHE 18 28.367 -4.914 1.681 153 HA PHE 18 HA PHE 18 26.871 -7.199 1.646 154 HB2 PHE 18 HB2 PHE 18 26.264 -4.751 0.971 155 HB3 PHE 18 HB1 PHE 18 26.651 -5.292 -0.663 156 HD1 PHE 18 HD1 PHE 18 24.426 -5.801 2.247 157 HD2 PHE 18 HD2 PHE 18 25.264 -6.902 -1.819 158 HE1 PHE 18 HE1 PHE 18 22.214 -6.910 2.091 159 HE2 PHE 18 HE2 PHE 18 23.054 -8.012 -1.974 160 HZ PHE 18 HZ PHE 18 21.527 -8.017 -0.021 161 H LEU 19 HN LEU 19 29.123 -6.104 -0.863 162 HA LEU 19 HA LEU 19 28.536 -8.292 -2.636 163 HB2 LEU 19 HB2 LEU 19 30.636 -6.137 -2.556 164 HB3 LEU 19 HB1 LEU 19 30.738 -7.449 -3.727 165 HG LEU 19 HG LEU 19 29.548 -5.390 -4.580 166 HD11 LEU 19 HD11 LEU 19 28.372 -6.742 -5.954 167 HD12 LEU 19 HD12 LEU 19 27.344 -7.301 -4.636 168 HD13 LEU 19 HD13 LEU 19 28.893 -8.084 -4.939 169 HD21 LEU 19 HD21 LEU 19 27.310 -6.247 -2.743 170 HD22 LEU 19 HD22 LEU 19 27.429 -4.769 -3.697 171 HD23 LEU 19 HD23 LEU 19 28.462 -4.996 -2.286 172 H ALA 20 HN ALA 20 30.507 -7.894 0.134 173 HA ALA 20 HA ALA 20 32.308 -10.081 -0.592 174 HB1 ALA 20 HB1 ALA 20 33.703 -9.114 0.876 175 HB2 ALA 20 HB2 ALA 20 32.506 -9.244 2.165 176 HB3 ALA 20 HB3 ALA 20 32.506 -7.837 1.101 177 H PHE 21 HN PHE 21 29.858 -9.339 1.879 178 HA PHE 21 HA PHE 21 29.870 -12.031 2.916 179 HB2 PHE 21 HB2 PHE 21 28.140 -9.607 3.428 180 HB3 PHE 21 HB1 PHE 21 27.858 -11.164 4.206 181 HD1 PHE 21 HD1 PHE 21 30.657 -8.760 3.526 182 HD2 PHE 21 HD2 PHE 21 28.919 -11.598 6.243 183 HE1 PHE 21 HE1 PHE 21 32.418 -8.243 5.190 184 HE2 PHE 21 HE2 PHE 21 30.682 -11.079 7.907 185 HZ PHE 21 HZ PHE 21 32.431 -9.403 7.380 186 H GLY 22 HN GLY 22 27.700 -10.009 0.960 187 HA2 GLY 22 HA2 GLY 22 25.583 -11.769 0.602 188 HA3 GLY 22 HA1 GLY 22 26.106 -10.594 -0.602 189 H PHE 23 HN PHE 23 28.578 -11.462 -1.301 190 HA PHE 23 HA PHE 23 28.220 -13.316 -3.263 191 HB2 PHE 23 HB2 PHE 23 30.464 -12.106 -1.988 192 HB3 PHE 23 HB1 PHE 23 30.801 -13.827 -2.164 193 HD1 PHE 23 HD1 PHE 23 29.436 -10.910 -4.078 194 HD2 PHE 23 HD2 PHE 23 31.523 -14.662 -4.233 195 HE1 PHE 23 HE1 PHE 23 29.835 -10.589 -6.504 196 HE2 PHE 23 HE2 PHE 23 31.921 -14.341 -6.658 197 HZ PHE 23 HZ PHE 23 31.074 -12.307 -7.794 198 H TRP 24 HN TRP 24 29.881 -14.177 -0.232 199 HA TRP 24 HA TRP 24 29.669 -16.938 -0.517 200 HB2 TRP 24 HB2 TRP 24 31.155 -16.152 1.143 201 HB3 TRP 24 HB1 TRP 24 29.902 -15.184 1.920 202 HD1 TRP 24 HD1 TRP 24 30.549 -18.915 1.126 203 HE1 TRP 24 HE1 TRP 24 29.629 -20.323 3.081 204 HE3 TRP 24 HE3 TRP 24 28.596 -15.211 4.027 205 HZ2 TRP 24 HZ2 TRP 24 28.247 -19.926 5.548 206 HZ3 TRP 24 HZ3 TRP 24 27.478 -15.747 6.176 207 HH2 TRP 24 HH2 TRP 24 27.303 -18.099 6.940 208 H LEU 25 HN LEU 25 27.761 -15.035 1.807 209 HA LEU 25 HA LEU 25 25.902 -16.591 2.765 210 HB2 LEU 25 HB2 LEU 25 25.621 -13.904 1.536 211 HB3 LEU 25 HB1 LEU 25 24.128 -14.757 1.931 212 HG LEU 25 HG LEU 25 26.323 -14.674 3.963 213 HD11 LEU 25 HD11 LEU 25 24.345 -12.434 3.448 214 HD12 LEU 25 HD12 LEU 25 26.090 -12.337 3.212 215 HD13 LEU 25 HD13 LEU 25 25.431 -12.542 4.834 216 HD21 LEU 25 HD21 LEU 25 24.381 -14.698 5.497 217 HD22 LEU 25 HD22 LEU 25 24.294 -16.033 4.350 218 HD23 LEU 25 HD23 LEU 25 23.292 -14.602 4.114 219 H PHE 26 HN PHE 26 25.171 -15.244 -0.464 220 HA PHE 26 HA PHE 26 23.147 -17.185 -0.926 221 HB2 PHE 26 HB2 PHE 26 24.537 -15.611 -3.085 222 HB3 PHE 26 HB1 PHE 26 22.865 -16.177 -3.042 223 HD1 PHE 26 HD2 PHE 26 21.648 -15.413 -0.691 224 HD2 PHE 26 HD1 PHE 26 24.778 -13.314 -2.752 225 HE1 PHE 26 HE2 PHE 26 20.953 -13.305 0.403 226 HE2 PHE 26 HE1 PHE 26 24.083 -11.203 -1.655 227 HZ PHE 26 HZ PHE 26 22.174 -11.198 -0.075 228 H LYS 27 HN LYS 27 26.421 -16.780 -2.301 229 HA LYS 27 HA LYS 27 26.318 -19.181 -3.813 230 HB2 LYS 27 HB2 LYS 27 28.722 -17.625 -2.831 231 HB3 LYS 27 HB1 LYS 27 28.745 -18.873 -4.078 232 HG2 LYS 27 HG2 LYS 27 27.277 -17.561 -5.498 233 HG3 LYS 27 HG1 LYS 27 27.068 -16.351 -4.231 234 HD2 LYS 27 HD2 LYS 27 29.109 -15.405 -4.609 235 HD3 LYS 27 HD1 LYS 27 29.867 -16.950 -4.996 236 HE2 LYS 27 HE2 LYS 27 29.513 -15.216 -6.918 237 HE3 LYS 27 HE1 LYS 27 29.120 -16.909 -7.220 238 HZ1 LYS 27 HZ1 LYS 27 27.432 -14.925 -7.692 239 HZ2 LYS 27 HZ2 LYS 27 27.000 -15.273 -6.086 240 HZ3 LYS 27 HZ3 LYS 27 26.922 -16.488 -7.271 241 H TYR 28 HN TYR 28 25.551 -19.548 -1.021 242 HA TYR 28 HA TYR 28 27.070 -21.937 -0.478 243 HB2 TYR 28 HB2 TYR 28 28.536 -20.970 0.943 244 HB3 TYR 28 HB1 TYR 28 27.620 -19.467 1.002 245 HD1 TYR 28 HD2 TYR 28 27.548 -22.994 2.221 246 HD2 TYR 28 HD1 TYR 28 26.332 -18.931 2.891 247 HE1 TYR 28 HE2 TYR 28 26.644 -23.633 4.444 248 HE2 TYR 28 HE1 TYR 28 25.429 -19.567 5.112 249 HH TYR 28 HH TYR 28 25.348 -21.192 6.666 250 H LEU 29 HN LEU 29 24.753 -19.546 0.741 251 HA LEU 29 HA LEU 29 23.247 -21.636 2.105 252 HB2 LEU 29 HB2 LEU 29 23.731 -19.202 2.954 253 HB3 LEU 29 HB1 LEU 29 22.366 -18.774 1.923 254 HG LEU 29 HG LEU 29 21.350 -20.943 3.214 255 HD11 LEU 29 HD11 LEU 29 23.087 -19.491 5.230 256 HD12 LEU 29 HD12 LEU 29 23.408 -21.113 4.614 257 HD13 LEU 29 HD13 LEU 29 21.961 -20.804 5.573 258 HD21 LEU 29 HD21 LEU 29 20.175 -19.290 4.647 259 HD22 LEU 29 HD22 LEU 29 20.266 -18.751 2.971 260 HD23 LEU 29 HD23 LEU 29 21.354 -18.065 4.177 261 H GLN 30 HN GLN 30 22.981 -19.494 -0.672 262 HA GLN 30 HA GLN 30 20.275 -20.407 -1.274 263 HB2 GLN 30 HB2 GLN 30 20.633 -18.111 -1.740 264 HB3 GLN 30 HB1 GLN 30 22.162 -18.431 -2.545 265 HG2 GLN 30 HG2 GLN 30 21.138 -19.300 -4.455 266 HG3 GLN 30 HG1 GLN 30 19.605 -19.578 -3.621 267 HE21 GLN 30 HE21 GLN 30 20.908 -16.554 -2.715 268 HE22 GLN 30 HE22 GLN 30 20.007 -15.586 -3.774 269 H LYS 31 HN LYS 31 23.287 -21.657 -1.624 270 HA LYS 31 HA LYS 31 22.672 -22.972 -4.199 271 HB2 LYS 31 HB2 LYS 31 25.147 -21.966 -2.980 272 HB3 LYS 31 HB1 LYS 31 25.290 -23.603 -3.618 273 HG2 LYS 31 HG2 LYS 31 25.851 -21.993 -5.366 274 HG3 LYS 31 HG1 LYS 31 24.347 -22.810 -5.785 275 HD2 LYS 31 HD2 LYS 31 23.648 -20.548 -4.203 276 HD3 LYS 31 HD1 LYS 31 24.817 -19.997 -5.404 277 HE2 LYS 31 HE2 LYS 31 23.443 -21.165 -7.169 278 HE3 LYS 31 HE1 LYS 31 22.220 -21.465 -5.934 279 HZ1 LYS 31 HZ1 LYS 31 22.647 -18.859 -5.601 280 HZ2 LYS 31 HZ2 LYS 31 21.451 -19.490 -6.631 281 HZ3 LYS 31 HZ3 LYS 31 22.946 -18.993 -7.265 282 H LYS 32 HN LYS 32 22.161 -23.508 -1.079 283 HA LYS 32 HA LYS 32 23.132 -26.280 -1.019 284 HB2 LYS 32 HB2 LYS 32 22.475 -26.260 1.332 285 HB3 LYS 32 HB1 LYS 32 23.493 -24.864 0.979 286 HG2 LYS 32 HG2 LYS 32 21.857 -23.573 1.839 287 HG3 LYS 32 HG1 LYS 32 20.886 -23.996 0.428 288 HD2 LYS 32 HD2 LYS 32 20.155 -26.074 1.676 289 HD3 LYS 32 HD1 LYS 32 20.943 -25.408 3.107 290 HE2 LYS 32 HE2 LYS 32 18.863 -24.508 3.456 291 HE3 LYS 32 HE1 LYS 32 19.483 -23.261 2.374 292 HZ1 LYS 32 HZ1 LYS 32 18.145 -23.913 0.719 293 HZ2 LYS 32 HZ2 LYS 32 17.228 -24.641 1.951 294 HZ3 LYS 32 HZ3 LYS 32 18.337 -25.564 1.054 Start of MODEL 32 1 H1 LYS 1 HT1 LYS 1 23.983 17.844 -0.699 2 H2 LYS 1 HT2 LYS 1 22.604 18.812 -0.922 3 H3 LYS 1 HT3 LYS 1 23.018 17.639 -2.080 4 HA LYS 1 HA LYS 1 22.752 16.460 0.488 5 HB2 LYS 1 HB2 LYS 1 20.475 18.130 -0.593 6 HB3 LYS 1 HB1 LYS 1 20.210 16.772 0.499 7 HG2 LYS 1 HG2 LYS 1 21.007 17.905 2.300 8 HG3 LYS 1 HG1 LYS 1 22.323 18.629 1.376 9 HD2 LYS 1 HD2 LYS 1 20.758 20.248 0.385 10 HD3 LYS 1 HD1 LYS 1 19.424 19.517 1.280 11 HE2 LYS 1 HE2 LYS 1 21.681 20.212 3.006 12 HE3 LYS 1 HE1 LYS 1 21.011 21.614 2.172 13 HZ1 LYS 1 HZ1 LYS 1 19.308 21.582 3.562 14 HZ2 LYS 1 HZ2 LYS 1 19.952 20.229 4.362 15 HZ3 LYS 1 HZ3 LYS 1 18.891 20.020 3.053 16 H LYS 2 HN LYS 2 23.355 14.627 -0.629 17 HA LYS 2 HA LYS 2 21.761 13.822 -2.963 18 HB2 LYS 2 HB2 LYS 2 23.532 11.900 -2.917 19 HB3 LYS 2 HB1 LYS 2 24.015 13.505 -3.468 20 HG2 LYS 2 HG2 LYS 2 25.287 13.914 -1.602 21 HG3 LYS 2 HG1 LYS 2 24.220 12.987 -0.545 22 HD2 LYS 2 HD2 LYS 2 25.172 10.926 -1.191 23 HD3 LYS 2 HD1 LYS 2 25.903 11.618 -2.639 24 HE2 LYS 2 HE2 LYS 2 26.734 12.812 -0.047 25 HE3 LYS 2 HE1 LYS 2 27.304 11.175 -0.375 26 HZ1 LYS 2 HZ1 LYS 2 28.077 13.656 -1.588 27 HZ2 LYS 2 HZ2 LYS 2 27.682 12.462 -2.731 28 HZ3 LYS 2 HZ3 LYS 2 28.883 12.165 -1.569 29 H HIS 3 HN HIS 3 22.581 12.840 0.322 30 HA HIS 3 HA HIS 3 20.164 11.317 0.569 31 HB2 HIS 3 HB2 HIS 3 21.701 9.754 -0.704 32 HB3 HIS 3 HB1 HIS 3 22.739 9.742 0.723 33 HD2 HIS 3 HD2 HIS 3 21.876 6.915 0.925 34 HE1 HIS 3 HE1 HIS 3 18.100 7.954 2.500 35 HE2 HIS 3 HE2 HIS 3 19.725 6.041 2.121 36 H THR 4 HN THR 4 22.079 9.624 2.477 37 HA THR 4 HA THR 4 22.025 11.606 4.679 38 HB THR 4 HB THR 4 20.356 9.946 5.134 39 HG1 THR 4 HG1 THR 4 22.167 8.701 6.680 40 HG21 THR 4 HG21 THR 4 22.197 8.230 3.734 41 HG22 THR 4 HG22 THR 4 20.516 7.926 4.170 42 HG23 THR 4 HG23 THR 4 21.804 7.520 5.300 43 H ILE 5 HN ILE 5 23.252 8.649 5.613 44 HA ILE 5 HA ILE 5 26.031 9.607 5.297 45 HB ILE 5 HB ILE 5 26.405 8.033 7.308 46 HG12 ILE 5 HG12 ILE 5 23.636 8.585 8.151 47 HG13 ILE 5 HG11 ILE 5 23.767 7.399 6.852 48 HG21 ILE 5 HG21 ILE 5 25.428 9.863 8.861 49 HG22 ILE 5 HG22 ILE 5 24.941 10.667 7.368 50 HG23 ILE 5 HG23 ILE 5 26.646 10.350 7.683 51 HD11 ILE 5 HD11 ILE 5 25.173 5.984 8.137 52 HD12 ILE 5 HD12 ILE 5 23.901 6.490 9.249 53 HD13 ILE 5 HD13 ILE 5 25.491 7.249 9.324 54 H TRP 6 HN TRP 6 23.789 7.046 4.705 55 HA TRP 6 HA TRP 6 25.298 4.782 4.454 56 HB2 TRP 6 HB2 TRP 6 22.867 5.796 3.272 57 HB3 TRP 6 HB1 TRP 6 23.784 4.872 2.082 58 HD1 TRP 6 HD1 TRP 6 22.609 2.603 2.070 59 HE1 TRP 6 HE1 TRP 6 22.062 0.816 3.840 60 HE3 TRP 6 HE3 TRP 6 23.922 5.135 6.296 61 HZ2 TRP 6 HZ2 TRP 6 22.169 0.505 6.676 62 HZ3 TRP 6 HZ3 TRP 6 23.691 4.071 8.523 63 HH2 TRP 6 HH2 TRP 6 22.817 1.760 8.719 64 H GLU 7 HN GLU 7 24.853 7.144 1.812 65 HA GLU 7 HA GLU 7 26.728 6.041 0.058 66 HB2 GLU 7 HB2 GLU 7 25.211 8.499 0.294 67 HB3 GLU 7 HB1 GLU 7 26.814 8.792 -0.381 68 HG2 GLU 7 HG2 GLU 7 24.942 6.626 -1.372 69 HG3 GLU 7 HG1 GLU 7 25.057 8.228 -2.102 70 H VAL 8 HN VAL 8 27.321 7.312 3.072 71 HA VAL 8 HA VAL 8 30.047 8.191 2.361 72 HB VAL 8 HB VAL 8 28.737 8.612 5.039 73 HG11 VAL 8 HG11 VAL 8 30.437 10.192 5.368 74 HG12 VAL 8 HG12 VAL 8 30.740 10.366 3.639 75 HG13 VAL 8 HG13 VAL 8 31.271 8.913 4.486 76 HG21 VAL 8 HG21 VAL 8 28.631 10.420 2.600 77 HG22 VAL 8 HG22 VAL 8 28.059 10.843 4.215 78 HG23 VAL 8 HG23 VAL 8 27.253 9.569 3.302 79 H ILE 9 HN ILE 9 28.202 6.009 4.440 80 HA ILE 9 HA ILE 9 30.718 4.660 5.174 81 HB ILE 9 HB ILE 9 29.861 5.300 7.208 82 HG12 ILE 9 HG12 ILE 9 29.723 2.625 6.766 83 HG13 ILE 9 HG11 ILE 9 29.377 3.373 8.311 84 HG21 ILE 9 HG21 ILE 9 27.370 5.284 7.699 85 HG22 ILE 9 HG22 ILE 9 27.132 4.991 5.974 86 HG23 ILE 9 HG23 ILE 9 27.933 6.460 6.519 87 HD11 ILE 9 HD11 ILE 9 27.031 3.268 7.982 88 HD12 ILE 9 HD12 ILE 9 27.636 1.705 7.442 89 HD13 ILE 9 HD13 ILE 9 27.200 2.932 6.263 90 H ALA 10 HN ALA 10 27.324 4.152 4.272 91 HA ALA 10 HA ALA 10 27.610 1.327 3.903 92 HB1 ALA 10 HB1 ALA 10 25.417 1.437 2.868 93 HB2 ALA 10 HB2 ALA 10 25.544 3.188 2.708 94 HB3 ALA 10 HB3 ALA 10 25.427 2.453 4.308 95 H GLY 11 HN GLY 11 26.956 3.846 1.448 96 HA2 GLY 11 HA2 GLY 11 27.610 2.349 -0.792 97 HA3 GLY 11 HA1 GLY 11 27.790 4.101 -0.694 98 H LEU 12 HN LEU 12 29.584 3.367 1.751 99 HA LEU 12 HA LEU 12 32.041 3.122 0.165 100 HB2 LEU 12 HB2 LEU 12 31.653 5.108 1.726 101 HB3 LEU 12 HB1 LEU 12 31.854 3.961 3.054 102 HG LEU 12 HG LEU 12 34.011 3.314 1.545 103 HD11 LEU 12 HD11 LEU 12 33.421 5.173 -0.055 104 HD12 LEU 12 HD12 LEU 12 35.031 5.320 0.652 105 HD13 LEU 12 HD13 LEU 12 33.708 6.317 1.256 106 HD21 LEU 12 HD21 LEU 12 34.039 3.835 3.942 107 HD22 LEU 12 HD22 LEU 12 33.811 5.548 3.592 108 HD23 LEU 12 HD23 LEU 12 35.308 4.743 3.121 109 H VAL 13 HN VAL 13 30.131 1.591 2.644 110 HA VAL 13 HA VAL 13 32.218 -0.488 2.958 111 HB VAL 13 HB VAL 13 30.004 0.257 4.883 112 HG11 VAL 13 HG11 VAL 13 32.167 -1.854 4.900 113 HG12 VAL 13 HG12 VAL 13 30.430 -2.073 5.120 114 HG13 VAL 13 HG13 VAL 13 31.388 -1.297 6.381 115 HG21 VAL 13 HG21 VAL 13 31.609 1.379 6.151 116 HG22 VAL 13 HG22 VAL 13 32.163 1.754 4.520 117 HG23 VAL 13 HG23 VAL 13 32.946 0.473 5.444 118 H ALA 14 HN ALA 14 28.671 -0.064 3.022 119 HA ALA 14 HA ALA 14 27.841 -2.659 2.828 120 HB1 ALA 14 HB1 ALA 14 26.774 -0.218 1.398 121 HB2 ALA 14 HB2 ALA 14 26.197 -0.919 2.910 122 HB3 ALA 14 HB3 ALA 14 25.949 -1.778 1.389 123 H LEU 15 HN LEU 15 28.934 -0.597 0.139 124 HA LEU 15 HA LEU 15 28.603 -2.568 -1.868 125 HB2 LEU 15 HB2 LEU 15 28.864 -0.142 -2.346 126 HB3 LEU 15 HB1 LEU 15 30.538 -0.235 -1.809 127 HG LEU 15 HG LEU 15 31.006 -1.908 -3.581 128 HD11 LEU 15 HD11 LEU 15 28.059 -1.597 -3.989 129 HD12 LEU 15 HD12 LEU 15 29.062 -3.041 -4.119 130 HD13 LEU 15 HD13 LEU 15 29.065 -1.846 -5.416 131 HD21 LEU 15 HD21 LEU 15 30.031 -0.068 -5.454 132 HD22 LEU 15 HD22 LEU 15 31.607 -0.024 -4.664 133 HD23 LEU 15 HD23 LEU 15 30.252 0.874 -3.980 134 H LEU 16 HN LEU 16 31.129 -1.847 0.429 135 HA LEU 16 HA LEU 16 32.952 -3.790 -0.780 136 HB2 LEU 16 HB2 LEU 16 33.407 -2.216 1.750 137 HB3 LEU 16 HB1 LEU 16 34.611 -2.941 0.683 138 HG LEU 16 HG LEU 16 32.792 -0.606 0.032 139 HD11 LEU 16 HD11 LEU 16 34.889 -0.277 1.478 140 HD12 LEU 16 HD12 LEU 16 34.777 0.709 0.020 141 HD13 LEU 16 HD13 LEU 16 35.813 -0.719 0.043 142 HD21 LEU 16 HD21 LEU 16 32.970 -1.785 -2.002 143 HD22 LEU 16 HD22 LEU 16 34.619 -2.307 -1.660 144 HD23 LEU 16 HD23 LEU 16 34.297 -0.626 -2.088 145 H THR 17 HN THR 17 30.337 -3.956 1.166 146 HA THR 17 HA THR 17 31.417 -6.250 2.690 147 HB THR 17 HB THR 17 29.556 -4.061 3.518 148 HG1 THR 17 HG1 THR 17 31.927 -5.208 4.281 149 HG21 THR 17 HG21 THR 17 29.490 -6.939 4.408 150 HG22 THR 17 HG22 THR 17 28.138 -5.884 3.994 151 HG23 THR 17 HG23 THR 17 29.019 -5.638 5.501 152 H PHE 18 HN PHE 18 28.286 -4.891 1.638 153 HA PHE 18 HA PHE 18 26.692 -7.082 1.674 154 HB2 PHE 18 HB2 PHE 18 26.273 -4.669 0.731 155 HB3 PHE 18 HB1 PHE 18 26.664 -5.415 -0.819 156 HD1 PHE 18 HD2 PHE 18 24.497 -5.828 2.201 157 HD2 PHE 18 HD1 PHE 18 25.041 -6.677 -1.975 158 HE1 PHE 18 HE2 PHE 18 22.219 -6.803 2.101 159 HE2 PHE 18 HE1 PHE 18 22.764 -7.652 -2.074 160 HZ PHE 18 HZ PHE 18 21.352 -7.715 -0.037 161 H LEU 19 HN LEU 19 28.984 -6.282 -0.931 162 HA LEU 19 HA LEU 19 28.423 -8.669 -2.429 163 HB2 LEU 19 HB2 LEU 19 30.484 -6.490 -2.575 164 HB3 LEU 19 HB1 LEU 19 30.703 -7.958 -3.522 165 HG LEU 19 HG LEU 19 29.500 -6.101 -4.743 166 HD11 LEU 19 HD11 LEU 19 28.943 -8.853 -4.703 167 HD12 LEU 19 HD12 LEU 19 28.499 -7.708 -5.967 168 HD13 LEU 19 HD13 LEU 19 27.364 -8.071 -4.669 169 HD21 LEU 19 HD21 LEU 19 28.252 -5.447 -2.580 170 HD22 LEU 19 HD22 LEU 19 27.157 -6.774 -2.967 171 HD23 LEU 19 HD23 LEU 19 27.331 -5.421 -4.084 172 H ALA 20 HN ALA 20 31.201 -7.617 -0.445 173 HA ALA 20 HA ALA 20 32.822 -9.812 -0.620 174 HB1 ALA 20 HB1 ALA 20 32.682 -9.066 2.149 175 HB2 ALA 20 HB2 ALA 20 32.551 -7.618 1.152 176 HB3 ALA 20 HB3 ALA 20 33.937 -8.693 0.967 177 H PHE 21 HN PHE 21 30.160 -9.428 1.743 178 HA PHE 21 HA PHE 21 30.378 -12.186 2.581 179 HB2 PHE 21 HB2 PHE 21 28.416 -9.980 3.234 180 HB3 PHE 21 HB1 PHE 21 28.309 -11.605 3.910 181 HD1 PHE 21 HD1 PHE 21 30.751 -8.799 3.452 182 HD2 PHE 21 HD2 PHE 21 29.484 -12.115 5.871 183 HE1 PHE 21 HE1 PHE 21 32.444 -8.198 5.162 184 HE2 PHE 21 HE2 PHE 21 31.176 -11.514 7.581 185 HZ PHE 21 HZ PHE 21 32.657 -9.557 7.226 186 H GLY 22 HN GLY 22 28.212 -10.226 0.596 187 HA2 GLY 22 HA2 GLY 22 26.140 -12.009 0.140 188 HA3 GLY 22 HA1 GLY 22 26.703 -10.823 -1.032 189 H PHE 23 HN PHE 23 29.250 -11.745 -1.541 190 HA PHE 23 HA PHE 23 28.886 -13.611 -3.547 191 HB2 PHE 23 HB2 PHE 23 31.084 -12.222 -2.394 192 HB3 PHE 23 HB1 PHE 23 31.531 -13.922 -2.517 193 HD1 PHE 23 HD2 PHE 23 30.506 -15.037 -4.814 194 HD2 PHE 23 HD1 PHE 23 31.657 -10.936 -4.255 195 HE1 PHE 23 HE2 PHE 23 30.814 -14.789 -7.262 196 HE2 PHE 23 HE1 PHE 23 31.966 -10.689 -6.700 197 HZ PHE 23 HZ PHE 23 31.544 -12.618 -8.205 198 H TRP 24 HN TRP 24 29.073 -14.090 -0.163 199 HA TRP 24 HA TRP 24 29.535 -16.980 -0.490 200 HB2 TRP 24 HB2 TRP 24 31.065 -16.083 1.093 201 HB3 TRP 24 HB1 TRP 24 29.797 -15.139 1.884 202 HD1 TRP 24 HD1 TRP 24 30.317 -18.867 1.012 203 HE1 TRP 24 HE1 TRP 24 29.553 -20.284 3.032 204 HE3 TRP 24 HE3 TRP 24 28.831 -15.155 4.163 205 HZ2 TRP 24 HZ2 TRP 24 28.456 -19.883 5.639 206 HZ3 TRP 24 HZ3 TRP 24 27.928 -15.690 6.412 207 HH2 TRP 24 HH2 TRP 24 27.740 -18.049 7.152 208 H LEU 25 HN LEU 25 27.691 -14.917 1.734 209 HA LEU 25 HA LEU 25 25.856 -16.437 2.829 210 HB2 LEU 25 HB2 LEU 25 25.642 -13.759 1.592 211 HB3 LEU 25 HB1 LEU 25 24.116 -14.551 1.983 212 HG LEU 25 HG LEU 25 26.377 -14.441 3.971 213 HD11 LEU 25 HD11 LEU 25 25.883 -12.123 3.278 214 HD12 LEU 25 HD12 LEU 25 25.321 -12.421 4.923 215 HD13 LEU 25 HD13 LEU 25 24.168 -12.396 3.588 216 HD21 LEU 25 HD21 LEU 25 23.573 -14.270 4.850 217 HD22 LEU 25 HD22 LEU 25 24.862 -15.335 5.410 218 HD23 LEU 25 HD23 LEU 25 23.941 -15.750 3.967 219 H PHE 26 HN PHE 26 25.354 -15.308 -0.527 220 HA PHE 26 HA PHE 26 23.101 -17.028 -0.935 221 HB2 PHE 26 HB2 PHE 26 24.762 -15.868 -3.153 222 HB3 PHE 26 HB1 PHE 26 23.024 -16.152 -3.108 223 HD1 PHE 26 HD2 PHE 26 22.013 -14.961 -0.761 224 HD2 PHE 26 HD1 PHE 26 25.274 -13.608 -3.213 225 HE1 PHE 26 HE2 PHE 26 21.650 -12.644 0.037 226 HE2 PHE 26 HE1 PHE 26 24.906 -11.289 -2.413 227 HZ PHE 26 HZ PHE 26 23.101 -10.808 -0.783 228 H LYS 27 HN LYS 27 26.221 -16.987 -2.621 229 HA LYS 27 HA LYS 27 26.098 -19.350 -3.952 230 HB2 LYS 27 HB2 LYS 27 28.403 -17.925 -2.669 231 HB3 LYS 27 HB1 LYS 27 28.659 -19.452 -3.504 232 HG2 LYS 27 HG2 LYS 27 29.010 -17.477 -4.995 233 HG3 LYS 27 HG1 LYS 27 27.724 -18.538 -5.564 234 HD2 LYS 27 HD2 LYS 27 26.027 -17.049 -4.725 235 HD3 LYS 27 HD1 LYS 27 27.233 -16.062 -3.891 236 HE2 LYS 27 HE2 LYS 27 26.520 -15.015 -6.015 237 HE3 LYS 27 HE1 LYS 27 28.232 -15.441 -6.047 238 HZ1 LYS 27 HZ1 LYS 27 27.875 -16.774 -7.758 239 HZ2 LYS 27 HZ2 LYS 27 26.261 -16.247 -7.817 240 HZ3 LYS 27 HZ3 LYS 27 26.674 -17.627 -6.917 241 H TYR 28 HN TYR 28 26.111 -19.002 -0.560 242 HA TYR 28 HA TYR 28 26.818 -21.859 -0.205 243 HB2 TYR 28 HB2 TYR 28 28.263 -21.053 1.312 244 HB3 TYR 28 HB1 TYR 28 27.525 -19.452 1.287 245 HD1 TYR 28 HD1 TYR 28 26.904 -22.931 2.509 246 HD2 TYR 28 HD2 TYR 28 26.250 -18.731 3.117 247 HE1 TYR 28 HE1 TYR 28 25.792 -23.418 4.675 248 HE2 TYR 28 HE2 TYR 28 25.139 -19.216 5.282 249 HH TYR 28 HH TYR 28 24.673 -20.790 6.796 250 H LEU 29 HN LEU 29 24.685 -19.294 1.060 251 HA LEU 29 HA LEU 29 22.968 -21.259 2.306 252 HB2 LEU 29 HB2 LEU 29 23.516 -18.844 3.134 253 HB3 LEU 29 HB1 LEU 29 22.259 -18.356 2.000 254 HG LEU 29 HG LEU 29 21.077 -20.477 3.312 255 HD11 LEU 29 HD11 LEU 29 22.923 -20.552 4.946 256 HD12 LEU 29 HD12 LEU 29 21.422 -20.034 5.714 257 HD13 LEU 29 HD13 LEU 29 22.665 -18.848 5.317 258 HD21 LEU 29 HD21 LEU 29 19.765 -18.705 4.455 259 HD22 LEU 29 HD22 LEU 29 20.024 -18.332 2.751 260 HD23 LEU 29 HD23 LEU 29 20.986 -17.521 3.986 261 H GLN 30 HN GLN 30 22.949 -19.221 -0.548 262 HA GLN 30 HA GLN 30 20.213 -19.946 -1.229 263 HB2 GLN 30 HB2 GLN 30 21.003 -17.689 -1.712 264 HB3 GLN 30 HB1 GLN 30 22.300 -18.333 -2.712 265 HG2 GLN 30 HG2 GLN 30 20.925 -18.755 -4.466 266 HG3 GLN 30 HG1 GLN 30 19.598 -19.279 -3.428 267 HE21 GLN 30 HE21 GLN 30 21.156 -16.151 -2.897 268 HE22 GLN 30 HE22 GLN 30 19.849 -15.211 -3.431 269 H LYS 31 HN LYS 31 22.480 -21.948 -1.044 270 HA LYS 31 HA LYS 31 22.105 -23.126 -3.727 271 HB2 LYS 31 HB2 LYS 31 24.581 -22.412 -2.412 272 HB3 LYS 31 HB1 LYS 31 24.512 -24.150 -2.691 273 HG2 LYS 31 HG2 LYS 31 25.497 -23.148 -4.647 274 HG3 LYS 31 HG1 LYS 31 23.870 -23.654 -5.091 275 HD2 LYS 31 HD2 LYS 31 23.659 -21.020 -4.036 276 HD3 LYS 31 HD1 LYS 31 25.014 -21.018 -5.161 277 HE2 LYS 31 HE2 LYS 31 23.620 -21.938 -6.929 278 HE3 LYS 31 HE1 LYS 31 22.265 -22.114 -5.816 279 HZ1 LYS 31 HZ1 LYS 31 23.501 -19.608 -6.795 280 HZ2 LYS 31 HZ2 LYS 31 22.453 -19.649 -5.458 281 HZ3 LYS 31 HZ3 LYS 31 21.899 -20.129 -6.990 282 H LYS 32 HN LYS 32 22.802 -23.728 -0.301 283 HA LYS 32 HA LYS 32 22.790 -26.433 -0.110 284 HB2 LYS 32 HB2 LYS 32 21.340 -26.040 2.029 285 HB3 LYS 32 HB1 LYS 32 22.959 -25.344 1.941 286 HG2 LYS 32 HG2 LYS 32 22.085 -23.190 1.316 287 HG3 LYS 32 HG1 LYS 32 20.459 -23.842 1.125 288 HD2 LYS 32 HD2 LYS 32 21.378 -24.502 3.758 289 HD3 LYS 32 HD1 LYS 32 21.653 -22.783 3.490 290 HE2 LYS 32 HE2 LYS 32 19.326 -22.476 2.811 291 HE3 LYS 32 HE1 LYS 32 19.028 -24.207 2.976 292 HZ1 LYS 32 HZ1 LYS 32 20.006 -22.539 5.218 293 HZ2 LYS 32 HZ2 LYS 32 19.350 -24.103 5.287 294 HZ3 LYS 32 HZ3 LYS 32 18.355 -22.778 4.915 Start of MODEL 33 1 H1 LYS 1 HT1 LYS 1 24.087 16.457 -3.767 2 H2 LYS 1 HT2 LYS 1 23.201 17.815 -3.260 3 H3 LYS 1 HT3 LYS 1 23.053 17.248 -4.854 4 HA LYS 1 HA LYS 1 21.304 16.671 -2.957 5 HB2 LYS 1 HB2 LYS 1 21.283 16.135 -5.441 6 HB3 LYS 1 HB1 LYS 1 22.163 14.657 -5.048 7 HG2 LYS 1 HG2 LYS 1 20.304 14.119 -3.402 8 HG3 LYS 1 HG1 LYS 1 19.401 15.459 -4.108 9 HD2 LYS 1 HD2 LYS 1 19.755 14.347 -6.371 10 HD3 LYS 1 HD1 LYS 1 20.343 12.938 -5.489 11 HE2 LYS 1 HE2 LYS 1 18.177 12.947 -4.195 12 HE3 LYS 1 HE1 LYS 1 17.596 14.198 -5.295 13 HZ1 LYS 1 HZ1 LYS 1 18.574 11.525 -6.139 14 HZ2 LYS 1 HZ2 LYS 1 17.898 12.718 -7.143 15 HZ3 LYS 1 HZ3 LYS 1 16.940 11.945 -5.974 16 H LYS 2 HN LYS 2 23.580 14.107 -3.941 17 HA LYS 2 HA LYS 2 24.340 12.262 -2.786 18 HB2 LYS 2 HB2 LYS 2 24.985 14.676 -1.250 19 HB3 LYS 2 HB1 LYS 2 24.972 13.207 -0.276 20 HG2 LYS 2 HG2 LYS 2 26.408 13.345 -2.933 21 HG3 LYS 2 HG1 LYS 2 27.192 13.810 -1.423 22 HD2 LYS 2 HD2 LYS 2 25.783 11.237 -1.254 23 HD3 LYS 2 HD1 LYS 2 27.099 11.241 -2.427 24 HE2 LYS 2 HE2 LYS 2 27.405 12.265 0.406 25 HE3 LYS 2 HE1 LYS 2 27.782 10.609 -0.070 26 HZ1 LYS 2 HZ1 LYS 2 29.047 12.117 -1.940 27 HZ2 LYS 2 HZ2 LYS 2 29.780 11.401 -0.585 28 HZ3 LYS 2 HZ3 LYS 2 29.267 13.019 -0.521 29 H HIS 3 HN HIS 3 24.217 11.269 -0.352 30 HA HIS 3 HA HIS 3 21.339 11.222 0.347 31 HB2 HIS 3 HB2 HIS 3 22.279 9.153 -0.798 32 HB3 HIS 3 HB1 HIS 3 23.259 8.911 0.648 33 HD2 HIS 3 HD2 HIS 3 21.660 6.608 1.328 34 HE1 HIS 3 HE1 HIS 3 18.193 8.838 2.236 35 HE2 HIS 3 HE2 HIS 3 19.273 6.546 2.388 36 H THR 4 HN THR 4 21.279 9.891 2.629 37 HA THR 4 HA THR 4 22.076 11.697 4.587 38 HB THR 4 HB THR 4 20.379 10.133 5.149 39 HG1 THR 4 HG1 THR 4 22.052 10.623 6.769 40 HG21 THR 4 HG21 THR 4 22.178 8.271 3.820 41 HG22 THR 4 HG22 THR 4 20.447 8.129 4.125 42 HG23 THR 4 HG23 THR 4 21.601 7.627 5.359 43 H ILE 5 HN ILE 5 23.239 8.671 5.544 44 HA ILE 5 HA ILE 5 26.032 9.625 5.358 45 HB ILE 5 HB ILE 5 26.317 7.988 7.343 46 HG12 ILE 5 HG12 ILE 5 23.529 8.600 8.096 47 HG13 ILE 5 HG11 ILE 5 23.689 7.416 6.799 48 HG21 ILE 5 HG21 ILE 5 25.480 9.787 8.924 49 HG22 ILE 5 HG22 ILE 5 24.821 10.616 7.515 50 HG23 ILE 5 HG23 ILE 5 26.561 10.361 7.655 51 HD11 ILE 5 HD11 ILE 5 25.211 7.261 9.409 52 HD12 ILE 5 HD12 ILE 5 25.134 6.031 8.148 53 HD13 ILE 5 HD13 ILE 5 23.700 6.406 9.103 54 H TRP 6 HN TRP 6 23.795 7.046 4.726 55 HA TRP 6 HA TRP 6 25.291 4.797 4.434 56 HB2 TRP 6 HB2 TRP 6 22.911 5.870 3.189 57 HB3 TRP 6 HB1 TRP 6 23.851 4.938 2.026 58 HD1 TRP 6 HD1 TRP 6 22.622 2.696 1.957 59 HE1 TRP 6 HE1 TRP 6 21.989 0.905 3.690 60 HE3 TRP 6 HE3 TRP 6 23.865 5.158 6.244 61 HZ2 TRP 6 HZ2 TRP 6 22.008 0.563 6.525 62 HZ3 TRP 6 HZ3 TRP 6 23.548 4.079 8.452 63 HH2 TRP 6 HH2 TRP 6 22.621 1.783 8.599 64 H GLU 7 HN GLU 7 24.801 6.954 1.639 65 HA GLU 7 HA GLU 7 26.753 5.987 -0.014 66 HB2 GLU 7 HB2 GLU 7 25.626 8.723 0.408 67 HB3 GLU 7 HB1 GLU 7 26.963 8.504 -0.721 68 HG2 GLU 7 HG2 GLU 7 24.656 6.615 -0.900 69 HG3 GLU 7 HG1 GLU 7 24.429 8.253 -1.511 70 H VAL 8 HN VAL 8 27.253 7.503 3.012 71 HA VAL 8 HA VAL 8 30.024 8.207 2.356 72 HB VAL 8 HB VAL 8 28.745 8.630 5.044 73 HG11 VAL 8 HG11 VAL 8 30.642 10.484 3.667 74 HG12 VAL 8 HG12 VAL 8 31.276 8.969 4.308 75 HG13 VAL 8 HG13 VAL 8 30.480 10.118 5.384 76 HG21 VAL 8 HG21 VAL 8 28.566 10.432 2.605 77 HG22 VAL 8 HG22 VAL 8 28.035 10.859 4.231 78 HG23 VAL 8 HG23 VAL 8 27.213 9.577 3.343 79 H ILE 9 HN ILE 9 28.152 6.040 4.440 80 HA ILE 9 HA ILE 9 30.658 4.665 5.163 81 HB ILE 9 HB ILE 9 29.797 5.309 7.196 82 HG12 ILE 9 HG12 ILE 9 29.676 2.635 6.748 83 HG13 ILE 9 HG11 ILE 9 29.320 3.378 8.295 84 HG21 ILE 9 HG21 ILE 9 27.306 5.279 7.683 85 HG22 ILE 9 HG22 ILE 9 27.072 4.991 5.956 86 HG23 ILE 9 HG23 ILE 9 27.867 6.463 6.511 87 HD11 ILE 9 HD11 ILE 9 26.975 3.260 7.959 88 HD12 ILE 9 HD12 ILE 9 27.590 1.702 7.413 89 HD13 ILE 9 HD13 ILE 9 27.151 2.934 6.238 90 H ALA 10 HN ALA 10 27.268 4.170 4.242 91 HA ALA 10 HA ALA 10 27.524 1.346 3.892 92 HB1 ALA 10 HB1 ALA 10 25.525 3.256 2.658 93 HB2 ALA 10 HB2 ALA 10 25.347 2.467 4.225 94 HB3 ALA 10 HB3 ALA 10 25.368 1.503 2.750 95 H GLY 11 HN GLY 11 26.959 3.835 1.383 96 HA2 GLY 11 HA2 GLY 11 27.663 2.309 -0.818 97 HA3 GLY 11 HA1 GLY 11 27.861 4.059 -0.733 98 H LEU 12 HN LEU 12 29.574 3.355 1.765 99 HA LEU 12 HA LEU 12 32.074 3.073 0.260 100 HB2 LEU 12 HB2 LEU 12 31.652 5.053 1.822 101 HB3 LEU 12 HB1 LEU 12 31.801 3.898 3.147 102 HG LEU 12 HG LEU 12 34.007 3.231 1.759 103 HD11 LEU 12 HD11 LEU 12 33.437 5.051 0.074 104 HD12 LEU 12 HD12 LEU 12 35.057 5.145 0.765 105 HD13 LEU 12 HD13 LEU 12 33.787 6.222 1.346 106 HD21 LEU 12 HD21 LEU 12 33.708 5.533 3.714 107 HD22 LEU 12 HD22 LEU 12 35.244 4.770 3.303 108 HD23 LEU 12 HD23 LEU 12 33.988 3.839 4.119 109 H VAL 13 HN VAL 13 30.071 1.554 2.669 110 HA VAL 13 HA VAL 13 32.124 -0.545 3.057 111 HB VAL 13 HB VAL 13 29.842 0.258 4.876 112 HG11 VAL 13 HG11 VAL 13 31.880 -1.972 4.994 113 HG12 VAL 13 HG12 VAL 13 30.125 -2.104 5.084 114 HG13 VAL 13 HG13 VAL 13 31.027 -1.395 6.423 115 HG21 VAL 13 HG21 VAL 13 32.039 1.667 4.671 116 HG22 VAL 13 HG22 VAL 13 32.786 0.310 5.514 117 HG23 VAL 13 HG23 VAL 13 31.475 1.208 6.278 118 H ALA 14 HN ALA 14 28.576 -0.118 2.980 119 HA ALA 14 HA ALA 14 27.751 -2.706 2.722 120 HB1 ALA 14 HB1 ALA 14 26.723 -0.349 1.121 121 HB2 ALA 14 HB2 ALA 14 26.197 -0.801 2.743 122 HB3 ALA 14 HB3 ALA 14 25.862 -1.866 1.377 123 H LEU 15 HN LEU 15 28.894 -0.618 0.069 124 HA LEU 15 HA LEU 15 28.669 -2.582 -1.951 125 HB2 LEU 15 HB2 LEU 15 28.930 -0.150 -2.403 126 HB3 LEU 15 HB1 LEU 15 30.588 -0.238 -1.810 127 HG LEU 15 HG LEU 15 31.120 -1.900 -3.575 128 HD11 LEU 15 HD11 LEU 15 28.189 -1.598 -4.080 129 HD12 LEU 15 HD12 LEU 15 29.203 -3.035 -4.191 130 HD13 LEU 15 HD13 LEU 15 29.243 -1.828 -5.476 131 HD21 LEU 15 HD21 LEU 15 30.762 -0.287 -5.542 132 HD22 LEU 15 HD22 LEU 15 31.635 0.351 -4.148 133 HD23 LEU 15 HD23 LEU 15 29.935 0.759 -4.386 134 H LEU 16 HN LEU 16 31.104 -1.861 0.441 135 HA LEU 16 HA LEU 16 32.971 -3.798 -0.711 136 HB2 LEU 16 HB2 LEU 16 33.363 -2.191 1.808 137 HB3 LEU 16 HB1 LEU 16 34.594 -2.923 0.778 138 HG LEU 16 HG LEU 16 32.782 -0.601 0.064 139 HD11 LEU 16 HD11 LEU 16 35.799 -0.680 0.083 140 HD12 LEU 16 HD12 LEU 16 34.886 -0.297 1.542 141 HD13 LEU 16 HD13 LEU 16 34.738 0.729 0.114 142 HD21 LEU 16 HD21 LEU 16 32.996 -1.804 -1.952 143 HD22 LEU 16 HD22 LEU 16 34.641 -2.318 -1.577 144 HD23 LEU 16 HD23 LEU 16 34.322 -0.643 -2.032 145 H THR 17 HN THR 17 30.299 -4.022 1.091 146 HA THR 17 HA THR 17 31.358 -6.270 2.693 147 HB THR 17 HB THR 17 29.466 -4.084 3.452 148 HG1 THR 17 HG1 THR 17 31.860 -4.956 4.145 149 HG21 THR 17 HG21 THR 17 28.840 -5.652 5.412 150 HG22 THR 17 HG22 THR 17 29.353 -6.960 4.350 151 HG23 THR 17 HG23 THR 17 28.023 -5.905 3.871 152 H PHE 18 HN PHE 18 28.258 -4.943 1.525 153 HA PHE 18 HA PHE 18 26.661 -7.125 1.518 154 HB2 PHE 18 HB2 PHE 18 26.312 -4.721 0.511 155 HB3 PHE 18 HB1 PHE 18 26.745 -5.511 -1.005 156 HD1 PHE 18 HD2 PHE 18 24.490 -5.884 1.962 157 HD2 PHE 18 HD1 PHE 18 25.121 -6.708 -2.206 158 HE1 PHE 18 HE2 PHE 18 22.200 -6.819 1.801 159 HE2 PHE 18 HE1 PHE 18 22.830 -7.643 -2.368 160 HZ PHE 18 HZ PHE 18 21.369 -7.699 -0.363 161 H LEU 19 HN LEU 19 28.989 -6.344 -1.068 162 HA LEU 19 HA LEU 19 28.512 -8.758 -2.527 163 HB2 LEU 19 HB2 LEU 19 30.607 -6.602 -2.614 164 HB3 LEU 19 HB1 LEU 19 30.808 -8.070 -3.567 165 HG LEU 19 HG LEU 19 29.673 -6.179 -4.799 166 HD11 LEU 19 HD11 LEU 19 28.643 -7.748 -6.050 167 HD12 LEU 19 HD12 LEU 19 27.493 -8.108 -4.763 168 HD13 LEU 19 HD13 LEU 19 29.060 -8.915 -4.795 169 HD21 LEU 19 HD21 LEU 19 27.313 -6.805 -3.019 170 HD22 LEU 19 HD22 LEU 19 27.473 -5.495 -4.189 171 HD23 LEU 19 HD23 LEU 19 28.408 -5.461 -2.694 172 H ALA 20 HN ALA 20 31.178 -7.689 -0.407 173 HA ALA 20 HA ALA 20 32.811 -9.891 -0.505 174 HB1 ALA 20 HB1 ALA 20 33.874 -8.774 1.119 175 HB2 ALA 20 HB2 ALA 20 32.551 -9.076 2.244 176 HB3 ALA 20 HB3 ALA 20 32.511 -7.660 1.194 177 H PHE 21 HN PHE 21 30.085 -9.447 1.764 178 HA PHE 21 HA PHE 21 30.248 -12.198 2.639 179 HB2 PHE 21 HB2 PHE 21 28.318 -9.954 3.246 180 HB3 PHE 21 HB1 PHE 21 28.175 -11.571 3.935 181 HD1 PHE 21 HD1 PHE 21 30.612 -8.759 3.525 182 HD2 PHE 21 HD2 PHE 21 29.376 -12.140 5.870 183 HE1 PHE 21 HE1 PHE 21 32.292 -8.175 5.254 184 HE2 PHE 21 HE2 PHE 21 31.056 -11.555 7.598 185 HZ PHE 21 HZ PHE 21 32.514 -9.573 7.288 186 H GLY 22 HN GLY 22 28.232 -10.267 0.487 187 HA2 GLY 22 HA2 GLY 22 26.116 -12.058 0.089 188 HA3 GLY 22 HA1 GLY 22 26.672 -10.879 -1.095 189 H PHE 23 HN PHE 23 29.202 -11.760 -1.663 190 HA PHE 23 HA PHE 23 28.818 -13.704 -3.594 191 HB2 PHE 23 HB2 PHE 23 31.094 -12.348 -2.408 192 HB3 PHE 23 HB1 PHE 23 31.480 -14.021 -2.806 193 HD1 PHE 23 HD1 PHE 23 30.413 -14.820 -5.154 194 HD2 PHE 23 HD2 PHE 23 31.398 -10.772 -4.106 195 HE1 PHE 23 HE1 PHE 23 30.541 -14.228 -7.559 196 HE2 PHE 23 HE2 PHE 23 31.527 -10.181 -6.510 197 HZ PHE 23 HZ PHE 23 31.098 -11.909 -8.237 198 H TRP 24 HN TRP 24 29.069 -14.036 -0.212 199 HA TRP 24 HA TRP 24 29.574 -16.926 -0.414 200 HB2 TRP 24 HB2 TRP 24 31.055 -15.890 1.153 201 HB3 TRP 24 HB1 TRP 24 29.728 -15.004 1.909 202 HD1 TRP 24 HD1 TRP 24 30.422 -18.725 1.113 203 HE1 TRP 24 HE1 TRP 24 29.743 -20.127 3.172 204 HE3 TRP 24 HE3 TRP 24 28.803 -15.012 4.196 205 HZ2 TRP 24 HZ2 TRP 24 28.654 -19.717 5.781 206 HZ3 TRP 24 HZ3 TRP 24 27.947 -15.536 6.466 207 HH2 TRP 24 HH2 TRP 24 27.870 -17.884 7.260 208 H LEU 25 HN LEU 25 27.762 -15.013 1.937 209 HA LEU 25 HA LEU 25 25.894 -16.510 2.925 210 HB2 LEU 25 HB2 LEU 25 25.671 -13.801 1.767 211 HB3 LEU 25 HB1 LEU 25 24.146 -14.617 2.117 212 HG LEU 25 HG LEU 25 26.361 -14.621 4.147 213 HD11 LEU 25 HD11 LEU 25 24.257 -12.459 3.813 214 HD12 LEU 25 HD12 LEU 25 25.979 -12.254 3.495 215 HD13 LEU 25 HD13 LEU 25 25.417 -12.577 5.136 216 HD21 LEU 25 HD21 LEU 25 24.736 -15.375 5.575 217 HD22 LEU 25 HD22 LEU 25 23.956 -15.880 4.077 218 HD23 LEU 25 HD23 LEU 25 23.486 -14.365 4.848 219 H PHE 26 HN PHE 26 25.275 -15.242 -0.361 220 HA PHE 26 HA PHE 26 23.101 -17.059 -0.749 221 HB2 PHE 26 HB2 PHE 26 24.566 -15.631 -2.954 222 HB3 PHE 26 HB1 PHE 26 22.862 -16.079 -2.878 223 HD1 PHE 26 HD2 PHE 26 21.737 -15.177 -0.527 224 HD2 PHE 26 HD1 PHE 26 24.956 -13.343 -2.702 225 HE1 PHE 26 HE2 PHE 26 21.193 -12.995 0.508 226 HE2 PHE 26 HE1 PHE 26 24.413 -11.160 -1.662 227 HZ PHE 26 HZ PHE 26 22.536 -10.987 -0.055 228 H LYS 27 HN LYS 27 26.133 -16.780 -2.607 229 HA LYS 27 HA LYS 27 26.005 -19.152 -3.965 230 HB2 LYS 27 HB2 LYS 27 28.595 -18.145 -2.789 231 HB3 LYS 27 HB1 LYS 27 28.347 -18.993 -4.316 232 HG2 LYS 27 HG2 LYS 27 27.471 -16.174 -3.628 233 HG3 LYS 27 HG1 LYS 27 28.665 -16.656 -4.832 234 HD2 LYS 27 HD2 LYS 27 26.710 -18.014 -5.887 235 HD3 LYS 27 HD1 LYS 27 25.672 -16.972 -4.913 236 HE2 LYS 27 HE2 LYS 27 27.331 -15.112 -5.989 237 HE3 LYS 27 HE1 LYS 27 27.323 -16.307 -7.286 238 HZ1 LYS 27 HZ1 LYS 27 25.513 -14.951 -7.748 239 HZ2 LYS 27 HZ2 LYS 27 25.042 -14.839 -6.119 240 HZ3 LYS 27 HZ3 LYS 27 24.807 -16.287 -6.976 241 H TYR 28 HN TYR 28 26.183 -18.827 -0.601 242 HA TYR 28 HA TYR 28 27.145 -21.615 -0.295 243 HB2 TYR 28 HB2 TYR 28 28.604 -20.645 1.122 244 HB3 TYR 28 HB1 TYR 28 27.656 -19.167 1.243 245 HD1 TYR 28 HD1 TYR 28 27.927 -22.659 2.450 246 HD2 TYR 28 HD2 TYR 28 26.102 -18.817 3.016 247 HE1 TYR 28 HE1 TYR 28 27.050 -23.400 4.654 248 HE2 TYR 28 HE2 TYR 28 25.227 -19.550 5.217 249 HH TYR 28 HH TYR 28 24.642 -21.803 6.300 250 H LEU 29 HN LEU 29 24.668 -19.268 0.661 251 HA LEU 29 HA LEU 29 23.186 -21.434 2.007 252 HB2 LEU 29 HB2 LEU 29 23.700 -19.115 3.079 253 HB3 LEU 29 HB1 LEU 29 22.374 -18.546 2.063 254 HG LEU 29 HG LEU 29 21.245 -20.780 3.104 255 HD11 LEU 29 HD11 LEU 29 22.890 -19.635 5.369 256 HD12 LEU 29 HD12 LEU 29 23.351 -21.097 4.499 257 HD13 LEU 29 HD13 LEU 29 21.842 -21.052 5.409 258 HD21 LEU 29 HD21 LEU 29 21.359 -18.031 4.384 259 HD22 LEU 29 HD22 LEU 29 20.117 -19.244 4.697 260 HD23 LEU 29 HD23 LEU 29 20.265 -18.526 3.093 261 H GLN 30 HN GLN 30 22.921 -19.072 -0.598 262 HA GLN 30 HA GLN 30 20.166 -19.554 -1.167 263 HB2 GLN 30 HB2 GLN 30 21.168 -17.501 -1.893 264 HB3 GLN 30 HB1 GLN 30 22.396 -18.366 -2.814 265 HG2 GLN 30 HG2 GLN 30 20.818 -19.123 -4.410 266 HG3 GLN 30 HG1 GLN 30 19.452 -18.690 -3.382 267 HE21 GLN 30 HE21 GLN 30 20.389 -16.041 -2.608 268 HE22 GLN 30 HE22 GLN 30 20.351 -15.066 -3.997 269 H LYS 31 HN LYS 31 23.103 -21.200 -2.015 270 HA LYS 31 HA LYS 31 21.773 -22.689 -4.164 271 HB2 LYS 31 HB2 LYS 31 24.586 -22.247 -3.311 272 HB3 LYS 31 HB1 LYS 31 24.212 -23.798 -4.062 273 HG2 LYS 31 HG2 LYS 31 24.895 -22.091 -5.736 274 HG3 LYS 31 HG1 LYS 31 23.247 -22.660 -6.002 275 HD2 LYS 31 HD2 LYS 31 22.305 -20.661 -5.372 276 HD3 LYS 31 HD1 LYS 31 23.590 -20.298 -4.217 277 HE2 LYS 31 HE2 LYS 31 25.123 -19.773 -6.066 278 HE3 LYS 31 HE1 LYS 31 23.866 -20.172 -7.236 279 HZ1 LYS 31 HZ1 LYS 31 23.334 -18.027 -7.099 280 HZ2 LYS 31 HZ2 LYS 31 24.222 -17.789 -5.672 281 HZ3 LYS 31 HZ3 LYS 31 22.640 -18.404 -5.600 282 H LYS 32 HN LYS 32 21.581 -22.875 -0.999 283 HA LYS 32 HA LYS 32 21.305 -25.789 -1.018 284 HB2 LYS 32 HB2 LYS 32 22.630 -24.640 1.389 285 HB3 LYS 32 HB1 LYS 32 22.800 -26.240 0.665 286 HG2 LYS 32 HG2 LYS 32 24.082 -25.237 -1.210 287 HG3 LYS 32 HG1 LYS 32 23.952 -23.656 -0.435 288 HD2 LYS 32 HD2 LYS 32 25.098 -24.621 1.577 289 HD3 LYS 32 HD1 LYS 32 25.348 -26.110 0.665 290 HE2 LYS 32 HE2 LYS 32 26.192 -23.888 -0.953 291 HE3 LYS 32 HE1 LYS 32 26.954 -23.762 0.631 292 HZ1 LYS 32 HZ1 LYS 32 26.989 -26.447 -0.218 293 HZ2 LYS 32 HZ2 LYS 32 28.300 -25.419 0.114 294 HZ3 LYS 32 HZ3 LYS 32 27.634 -25.472 -1.447 Start of MODEL 34 1 H1 LYS 1 HT1 LYS 1 24.088 18.829 -1.016 2 H2 LYS 1 HT2 LYS 1 23.686 18.287 -2.576 3 H3 LYS 1 HT3 LYS 1 24.914 17.512 -1.693 4 HA LYS 1 HA LYS 1 23.360 16.671 -0.109 5 HB2 LYS 1 HB2 LYS 1 20.857 17.118 -0.784 6 HB3 LYS 1 HB1 LYS 1 21.736 18.327 0.154 7 HG2 LYS 1 HG2 LYS 1 21.940 19.775 -1.638 8 HG3 LYS 1 HG1 LYS 1 21.894 18.473 -2.830 9 HD2 LYS 1 HD2 LYS 1 19.505 18.161 -2.460 10 HD3 LYS 1 HD1 LYS 1 19.518 19.363 -1.169 11 HE2 LYS 1 HE2 LYS 1 20.511 20.120 -3.901 12 HE3 LYS 1 HE1 LYS 1 18.775 20.073 -3.591 13 HZ1 LYS 1 HZ1 LYS 1 20.799 21.657 -2.105 14 HZ2 LYS 1 HZ2 LYS 1 19.161 21.537 -1.668 15 HZ3 LYS 1 HZ3 LYS 1 19.601 22.261 -3.140 16 H LYS 2 HN LYS 2 23.081 14.572 -0.560 17 HA LYS 2 HA LYS 2 22.105 13.792 -3.225 18 HB2 LYS 2 HB2 LYS 2 23.863 11.874 -3.030 19 HB3 LYS 2 HB1 LYS 2 24.386 13.462 -3.593 20 HG2 LYS 2 HG2 LYS 2 25.584 13.894 -1.694 21 HG3 LYS 2 HG1 LYS 2 24.427 13.062 -0.655 22 HD2 LYS 2 HD2 LYS 2 25.303 10.913 -1.242 23 HD3 LYS 2 HD1 LYS 2 26.258 11.589 -2.561 24 HE2 LYS 2 HE2 LYS 2 27.222 11.099 -0.035 25 HE3 LYS 2 HE1 LYS 2 27.931 12.246 -1.173 26 HZ1 LYS 2 HZ1 LYS 2 27.441 13.182 1.059 27 HZ2 LYS 2 HZ2 LYS 2 25.787 12.946 0.755 28 HZ3 LYS 2 HZ3 LYS 2 26.689 14.012 -0.215 29 H HIS 3 HN HIS 3 22.797 12.888 0.118 30 HA HIS 3 HA HIS 3 20.342 11.427 0.339 31 HB2 HIS 3 HB2 HIS 3 21.853 9.805 -0.884 32 HB3 HIS 3 HB1 HIS 3 22.870 9.785 0.557 33 HD2 HIS 3 HD2 HIS 3 21.929 6.987 0.789 34 HE1 HIS 3 HE1 HIS 3 18.158 8.150 2.292 35 HE2 HIS 3 HE2 HIS 3 19.738 6.188 1.967 36 H THR 4 HN THR 4 22.162 9.709 2.312 37 HA THR 4 HA THR 4 22.114 11.723 4.482 38 HB THR 4 HB THR 4 20.411 10.097 4.930 39 HG1 THR 4 HG1 THR 4 21.135 10.012 6.878 40 HG21 THR 4 HG21 THR 4 21.817 7.650 5.151 41 HG22 THR 4 HG22 THR 4 22.245 8.333 3.582 42 HG23 THR 4 HG23 THR 4 20.553 8.061 3.997 43 H ILE 5 HN ILE 5 23.277 8.757 5.474 44 HA ILE 5 HA ILE 5 26.075 9.668 5.199 45 HB ILE 5 HB ILE 5 26.388 8.111 7.235 46 HG12 ILE 5 HG12 ILE 5 23.621 8.718 8.034 47 HG13 ILE 5 HG11 ILE 5 23.742 7.524 6.742 48 HG21 ILE 5 HG21 ILE 5 24.966 10.770 7.241 49 HG22 ILE 5 HG22 ILE 5 26.662 10.429 7.586 50 HG23 ILE 5 HG23 ILE 5 25.418 9.975 8.750 51 HD11 ILE 5 HD11 ILE 5 25.107 6.089 8.050 52 HD12 ILE 5 HD12 ILE 5 23.828 6.621 9.140 53 HD13 ILE 5 HD13 ILE 5 25.430 7.351 9.236 54 H TRP 6 HN TRP 6 23.803 7.134 4.602 55 HA TRP 6 HA TRP 6 25.278 4.845 4.407 56 HB2 TRP 6 HB2 TRP 6 22.884 5.878 3.171 57 HB3 TRP 6 HB1 TRP 6 23.806 4.925 2.009 58 HD1 TRP 6 HD1 TRP 6 22.613 2.665 2.011 59 HE1 TRP 6 HE1 TRP 6 22.012 0.914 3.800 60 HE3 TRP 6 HE3 TRP 6 23.867 5.257 6.218 61 HZ2 TRP 6 HZ2 TRP 6 22.058 0.652 6.642 62 HZ3 TRP 6 HZ3 TRP 6 23.579 4.236 8.459 63 HH2 TRP 6 HH2 TRP 6 22.677 1.936 8.677 64 H GLU 7 HN GLU 7 24.916 7.168 1.715 65 HA GLU 7 HA GLU 7 26.796 6.016 0.010 66 HB2 GLU 7 HB2 GLU 7 25.350 8.520 0.210 67 HB3 GLU 7 HB1 GLU 7 26.971 8.763 -0.440 68 HG2 GLU 7 HG2 GLU 7 25.050 6.653 -1.455 69 HG3 GLU 7 HG1 GLU 7 25.229 8.247 -2.187 70 H VAL 8 HN VAL 8 27.351 7.392 3.015 71 HA VAL 8 HA VAL 8 30.116 8.156 2.346 72 HB VAL 8 HB VAL 8 28.775 8.624 5.001 73 HG11 VAL 8 HG11 VAL 8 30.720 10.500 3.783 74 HG12 VAL 8 HG12 VAL 8 31.360 8.918 4.225 75 HG13 VAL 8 HG13 VAL 8 30.593 9.931 5.448 76 HG21 VAL 8 HG21 VAL 8 27.343 9.606 3.237 77 HG22 VAL 8 HG22 VAL 8 28.749 10.416 2.549 78 HG23 VAL 8 HG23 VAL 8 28.167 10.867 4.150 79 H ILE 9 HN ILE 9 28.198 6.036 4.431 80 HA ILE 9 HA ILE 9 30.676 4.640 5.207 81 HB ILE 9 HB ILE 9 29.798 5.320 7.220 82 HG12 ILE 9 HG12 ILE 9 29.624 2.641 6.804 83 HG13 ILE 9 HG11 ILE 9 29.272 3.412 8.337 84 HG21 ILE 9 HG21 ILE 9 27.084 5.038 5.948 85 HG22 ILE 9 HG22 ILE 9 27.901 6.503 6.489 86 HG23 ILE 9 HG23 ILE 9 27.301 5.350 7.673 87 HD11 ILE 9 HD11 ILE 9 27.112 2.985 6.267 88 HD12 ILE 9 HD12 ILE 9 26.927 3.343 7.978 89 HD13 ILE 9 HD13 ILE 9 27.514 1.764 7.467 90 H ALA 10 HN ALA 10 27.285 4.173 4.266 91 HA ALA 10 HA ALA 10 27.531 1.343 3.934 92 HB1 ALA 10 HB1 ALA 10 25.523 3.223 2.672 93 HB2 ALA 10 HB2 ALA 10 25.361 2.512 4.278 94 HB3 ALA 10 HB3 ALA 10 25.361 1.477 2.852 95 H GLY 11 HN GLY 11 26.970 3.837 1.432 96 HA2 GLY 11 HA2 GLY 11 27.643 2.300 -0.776 97 HA3 GLY 11 HA1 GLY 11 27.847 4.051 -0.696 98 H LEU 12 HN LEU 12 29.579 3.321 1.793 99 HA LEU 12 HA LEU 12 32.063 3.022 0.261 100 HB2 LEU 12 HB2 LEU 12 31.667 5.028 1.799 101 HB3 LEU 12 HB1 LEU 12 31.835 3.892 3.138 102 HG LEU 12 HG LEU 12 34.014 3.203 1.700 103 HD11 LEU 12 HD11 LEU 12 33.976 6.196 1.375 104 HD12 LEU 12 HD12 LEU 12 33.299 5.163 0.116 105 HD13 LEU 12 HD13 LEU 12 34.997 5.007 0.568 106 HD21 LEU 12 HD21 LEU 12 33.987 3.823 4.080 107 HD22 LEU 12 HD22 LEU 12 33.807 5.523 3.648 108 HD23 LEU 12 HD23 LEU 12 35.295 4.664 3.249 109 H VAL 13 HN VAL 13 30.073 1.544 2.704 110 HA VAL 13 HA VAL 13 32.123 -0.560 3.096 111 HB VAL 13 HB VAL 13 29.865 0.250 4.944 112 HG11 VAL 13 HG11 VAL 13 30.201 -2.089 5.213 113 HG12 VAL 13 HG12 VAL 13 31.154 -1.341 6.495 114 HG13 VAL 13 HG13 VAL 13 31.950 -1.936 5.038 115 HG21 VAL 13 HG21 VAL 13 32.068 1.680 4.649 116 HG22 VAL 13 HG22 VAL 13 32.801 0.376 5.580 117 HG23 VAL 13 HG23 VAL 13 31.474 1.311 6.268 118 H ALA 14 HN ALA 14 28.578 -0.104 3.066 119 HA ALA 14 HA ALA 14 27.727 -2.689 2.859 120 HB1 ALA 14 HB1 ALA 14 26.710 -0.312 1.283 121 HB2 ALA 14 HB2 ALA 14 26.161 -0.824 2.878 122 HB3 ALA 14 HB3 ALA 14 25.846 -1.838 1.469 123 H LEU 15 HN LEU 15 28.880 -0.653 0.171 124 HA LEU 15 HA LEU 15 28.601 -2.643 -1.821 125 HB2 LEU 15 HB2 LEU 15 28.885 -0.214 -2.304 126 HB3 LEU 15 HB1 LEU 15 30.552 -0.323 -1.744 127 HG LEU 15 HG LEU 15 31.016 -2.022 -3.497 128 HD11 LEU 15 HD11 LEU 15 29.102 -1.922 -5.363 129 HD12 LEU 15 HD12 LEU 15 28.083 -1.662 -3.949 130 HD13 LEU 15 HD13 LEU 15 29.067 -3.120 -4.070 131 HD21 LEU 15 HD21 LEU 15 29.947 -0.044 -5.289 132 HD22 LEU 15 HD22 LEU 15 31.619 -0.271 -4.775 133 HD23 LEU 15 HD23 LEU 15 30.541 0.759 -3.834 134 H LEU 16 HN LEU 16 31.084 -1.904 0.521 135 HA LEU 16 HA LEU 16 32.921 -3.867 -0.631 136 HB2 LEU 16 HB2 LEU 16 33.333 -2.261 1.888 137 HB3 LEU 16 HB1 LEU 16 34.555 -3.010 0.858 138 HG LEU 16 HG LEU 16 32.766 -0.672 0.137 139 HD11 LEU 16 HD11 LEU 16 35.785 -0.788 0.181 140 HD12 LEU 16 HD12 LEU 16 34.857 -0.363 1.620 141 HD13 LEU 16 HD13 LEU 16 34.745 0.636 0.172 142 HD21 LEU 16 HD21 LEU 16 34.612 -2.411 -1.495 143 HD22 LEU 16 HD22 LEU 16 34.317 -0.734 -1.953 144 HD23 LEU 16 HD23 LEU 16 32.975 -1.876 -1.878 145 H THR 17 HN THR 17 30.267 -4.015 1.243 146 HA THR 17 HA THR 17 31.305 -6.288 2.826 147 HB THR 17 HB THR 17 29.432 -4.084 3.569 148 HG1 THR 17 HG1 THR 17 31.024 -5.465 5.358 149 HG21 THR 17 HG21 THR 17 28.766 -5.634 5.527 150 HG22 THR 17 HG22 THR 17 29.274 -6.954 4.476 151 HG23 THR 17 HG23 THR 17 27.961 -5.886 3.978 152 H PHE 18 HN PHE 18 28.193 -4.959 1.687 153 HA PHE 18 HA PHE 18 26.625 -7.167 1.667 154 HB2 PHE 18 HB2 PHE 18 26.237 -4.737 0.709 155 HB3 PHE 18 HB1 PHE 18 26.621 -5.514 -0.827 156 HD1 PHE 18 HD2 PHE 18 24.460 -5.885 2.205 157 HD2 PHE 18 HD1 PHE 18 24.978 -6.750 -1.971 158 HE1 PHE 18 HE2 PHE 18 22.171 -6.838 2.117 159 HE2 PHE 18 HE1 PHE 18 22.689 -7.703 -2.057 160 HZ PHE 18 HZ PHE 18 21.287 -7.747 -0.013 161 H LEU 19 HN LEU 19 28.855 -6.282 -0.977 162 HA LEU 19 HA LEU 19 28.393 -8.674 -2.467 163 HB2 LEU 19 HB2 LEU 19 30.462 -6.492 -2.558 164 HB3 LEU 19 HB1 LEU 19 30.636 -7.929 -3.562 165 HG LEU 19 HG LEU 19 29.444 -6.002 -4.688 166 HD11 LEU 19 HD11 LEU 19 28.389 -7.540 -5.957 167 HD12 LEU 19 HD12 LEU 19 27.283 -7.952 -4.649 168 HD13 LEU 19 HD13 LEU 19 28.853 -8.744 -4.757 169 HD21 LEU 19 HD21 LEU 19 28.246 -5.375 -2.515 170 HD22 LEU 19 HD22 LEU 19 27.153 -6.717 -2.850 171 HD23 LEU 19 HD23 LEU 19 27.260 -5.363 -3.976 172 H ALA 20 HN ALA 20 31.133 -7.607 -0.441 173 HA ALA 20 HA ALA 20 32.792 -9.769 -0.618 174 HB1 ALA 20 HB1 ALA 20 33.550 -9.257 1.654 175 HB2 ALA 20 HB2 ALA 20 32.093 -8.304 1.935 176 HB3 ALA 20 HB3 ALA 20 33.277 -7.771 0.743 177 H PHE 21 HN PHE 21 30.130 -9.460 1.751 178 HA PHE 21 HA PHE 21 30.367 -12.243 2.502 179 HB2 PHE 21 HB2 PHE 21 28.429 -10.057 3.273 180 HB3 PHE 21 HB1 PHE 21 28.327 -11.705 3.891 181 HD1 PHE 21 HD2 PHE 21 30.561 -8.735 3.651 182 HD2 PHE 21 HD1 PHE 21 29.758 -12.460 5.631 183 HE1 PHE 21 HE2 PHE 21 32.301 -8.211 5.337 184 HE2 PHE 21 HE1 PHE 21 31.497 -11.937 7.320 185 HZ PHE 21 HZ PHE 21 32.768 -9.812 7.173 186 H GLY 22 HN GLY 22 28.192 -10.253 0.553 187 HA2 GLY 22 HA2 GLY 22 26.104 -12.050 0.137 188 HA3 GLY 22 HA1 GLY 22 26.620 -10.838 -1.030 189 H PHE 23 HN PHE 23 29.144 -11.696 -1.679 190 HA PHE 23 HA PHE 23 28.708 -13.588 -3.655 191 HB2 PHE 23 HB2 PHE 23 30.998 -12.227 -2.513 192 HB3 PHE 23 HB1 PHE 23 31.400 -13.885 -2.957 193 HD1 PHE 23 HD2 PHE 23 30.258 -14.647 -5.291 194 HD2 PHE 23 HD1 PHE 23 31.253 -10.617 -4.183 195 HE1 PHE 23 HE2 PHE 23 30.318 -14.003 -7.685 196 HE2 PHE 23 HE1 PHE 23 31.313 -9.974 -6.576 197 HZ PHE 23 HZ PHE 23 30.845 -11.666 -8.327 198 H TRP 24 HN TRP 24 29.084 -14.025 -0.289 199 HA TRP 24 HA TRP 24 29.630 -16.898 -0.612 200 HB2 TRP 24 HB2 TRP 24 31.150 -15.878 0.935 201 HB3 TRP 24 HB1 TRP 24 29.832 -15.060 1.776 202 HD1 TRP 24 HD1 TRP 24 30.626 -18.716 0.810 203 HE1 TRP 24 HE1 TRP 24 30.045 -20.227 2.823 204 HE3 TRP 24 HE3 TRP 24 28.941 -15.197 4.080 205 HZ2 TRP 24 HZ2 TRP 24 29.002 -19.965 5.469 206 HZ3 TRP 24 HZ3 TRP 24 28.157 -15.846 6.344 207 HH2 TRP 24 HH2 TRP 24 28.186 -18.225 7.040 208 H LEU 25 HN LEU 25 27.851 -15.038 1.814 209 HA LEU 25 HA LEU 25 26.063 -16.620 2.851 210 HB2 LEU 25 HB2 LEU 25 25.756 -13.875 1.794 211 HB3 LEU 25 HB1 LEU 25 24.261 -14.722 2.193 212 HG LEU 25 HG LEU 25 26.579 -14.737 4.106 213 HD11 LEU 25 HD11 LEU 25 25.623 -12.756 5.208 214 HD12 LEU 25 HD12 LEU 25 24.402 -12.631 3.942 215 HD13 LEU 25 HD13 LEU 25 26.102 -12.368 3.556 216 HD21 LEU 25 HD21 LEU 25 23.761 -14.582 4.999 217 HD22 LEU 25 HD22 LEU 25 25.068 -15.618 5.575 218 HD23 LEU 25 HD23 LEU 25 24.183 -16.047 4.113 219 H PHE 26 HN PHE 26 25.236 -15.211 -0.334 220 HA PHE 26 HA PHE 26 23.067 -17.031 -0.707 221 HB2 PHE 26 HB2 PHE 26 24.459 -15.541 -2.921 222 HB3 PHE 26 HB1 PHE 26 22.757 -15.981 -2.795 223 HD1 PHE 26 HD1 PHE 26 21.755 -15.141 -0.341 224 HD2 PHE 26 HD2 PHE 26 24.845 -13.254 -2.656 225 HE1 PHE 26 HE1 PHE 26 21.268 -12.982 0.769 226 HE2 PHE 26 HE2 PHE 26 24.356 -11.094 -1.545 227 HZ PHE 26 HZ PHE 26 22.571 -10.958 0.169 228 H LYS 27 HN LYS 27 26.135 -16.722 -2.501 229 HA LYS 27 HA LYS 27 25.935 -19.042 -3.993 230 HB2 LYS 27 HB2 LYS 27 28.551 -18.048 -2.866 231 HB3 LYS 27 HB1 LYS 27 28.264 -18.854 -4.406 232 HG2 LYS 27 HG2 LYS 27 27.353 -16.068 -3.624 233 HG3 LYS 27 HG1 LYS 27 28.561 -16.485 -4.837 234 HD2 LYS 27 HD2 LYS 27 26.658 -17.845 -5.956 235 HD3 LYS 27 HD1 LYS 27 25.578 -16.894 -4.937 236 HE2 LYS 27 HE2 LYS 27 27.176 -14.927 -5.925 237 HE3 LYS 27 HE1 LYS 27 27.187 -16.058 -7.278 238 HZ1 LYS 27 HZ1 LYS 27 25.351 -14.482 -7.426 239 HZ2 LYS 27 HZ2 LYS 27 24.754 -15.018 -5.929 240 HZ3 LYS 27 HZ3 LYS 27 24.783 -16.071 -7.262 241 H TYR 28 HN TYR 28 25.984 -18.927 -0.659 242 HA TYR 28 HA TYR 28 27.007 -21.706 -0.500 243 HB2 TYR 28 HB2 TYR 28 28.622 -20.859 0.823 244 HB3 TYR 28 HB1 TYR 28 27.769 -19.335 1.052 245 HD1 TYR 28 HD2 TYR 28 27.776 -22.912 2.088 246 HD2 TYR 28 HD1 TYR 28 26.541 -18.909 3.027 247 HE1 TYR 28 HE2 TYR 28 27.028 -23.669 4.331 248 HE2 TYR 28 HE1 TYR 28 25.793 -19.663 5.269 249 HH TYR 28 HH TYR 28 25.138 -22.645 6.077 250 H LEU 29 HN LEU 29 24.684 -19.324 0.652 251 HA LEU 29 HA LEU 29 23.302 -21.406 2.184 252 HB2 LEU 29 HB2 LEU 29 23.871 -19.074 3.145 253 HB3 LEU 29 HB1 LEU 29 22.551 -18.490 2.134 254 HG LEU 29 HG LEU 29 21.592 -20.800 3.494 255 HD11 LEU 29 HD11 LEU 29 21.870 -20.094 5.838 256 HD12 LEU 29 HD12 LEU 29 22.920 -18.776 5.319 257 HD13 LEU 29 HD13 LEU 29 23.431 -20.450 5.101 258 HD21 LEU 29 HD21 LEU 29 20.059 -19.106 4.503 259 HD22 LEU 29 HD22 LEU 29 20.222 -18.922 2.756 260 HD23 LEU 29 HD23 LEU 29 21.083 -17.831 3.844 261 H GLN 30 HN GLN 30 22.981 -19.292 -0.580 262 HA GLN 30 HA GLN 30 20.168 -19.956 -0.971 263 HB2 GLN 30 HB2 GLN 30 20.769 -17.693 -1.446 264 HB3 GLN 30 HB1 GLN 30 22.109 -18.198 -2.471 265 HG2 GLN 30 HG2 GLN 30 20.728 -18.849 -4.211 266 HG3 GLN 30 HG1 GLN 30 19.342 -19.112 -3.153 267 HE21 GLN 30 HE21 GLN 30 20.984 -16.157 -2.473 268 HE22 GLN 30 HE22 GLN 30 19.917 -15.125 -3.292 269 H LYS 31 HN LYS 31 23.147 -21.316 -1.769 270 HA LYS 31 HA LYS 31 22.055 -22.627 -4.180 271 HB2 LYS 31 HB2 LYS 31 24.807 -21.932 -3.268 272 HB3 LYS 31 HB1 LYS 31 24.611 -23.406 -4.216 273 HG2 LYS 31 HG2 LYS 31 25.059 -21.433 -5.655 274 HG3 LYS 31 HG1 LYS 31 23.487 -22.157 -5.993 275 HD2 LYS 31 HD2 LYS 31 22.318 -20.429 -4.887 276 HD3 LYS 31 HD1 LYS 31 23.755 -19.891 -4.020 277 HE2 LYS 31 HE2 LYS 31 24.754 -19.175 -6.187 278 HE3 LYS 31 HE1 LYS 31 23.260 -19.640 -7.001 279 HZ1 LYS 31 HZ1 LYS 31 22.108 -18.093 -5.417 280 HZ2 LYS 31 HZ2 LYS 31 23.102 -17.346 -6.575 281 HZ3 LYS 31 HZ3 LYS 31 23.639 -17.516 -4.972 282 H LYS 32 HN LYS 32 20.741 -23.698 -2.344 283 HA LYS 32 HA LYS 32 22.077 -26.248 -1.717 284 HB2 LYS 32 HB2 LYS 32 20.678 -24.378 0.176 285 HB3 LYS 32 HB1 LYS 32 20.666 -26.116 0.482 286 HG2 LYS 32 HG2 LYS 32 22.834 -26.111 1.142 287 HG3 LYS 32 HG1 LYS 32 23.331 -25.086 -0.206 288 HD2 LYS 32 HD2 LYS 32 23.651 -23.953 1.971 289 HD3 LYS 32 HD1 LYS 32 22.490 -23.114 0.940 290 HE2 LYS 32 HE2 LYS 32 20.803 -23.441 2.403 291 HE3 LYS 32 HE1 LYS 32 21.217 -25.145 2.608 292 HZ1 LYS 32 HZ1 LYS 32 22.576 -22.858 3.930 293 HZ2 LYS 32 HZ2 LYS 32 22.989 -24.493 4.119 294 HZ3 LYS 32 HZ3 LYS 32 21.487 -23.925 4.671 Start of MODEL 35 1 H1 LYS 1 HT1 LYS 1 21.141 17.340 -2.034 2 H2 LYS 1 HT2 LYS 1 21.312 16.908 -0.399 3 H3 LYS 1 HT3 LYS 1 20.300 18.200 -0.838 4 HA LYS 1 HA LYS 1 19.070 16.149 -0.274 5 HB2 LYS 1 HB2 LYS 1 18.549 18.004 -2.177 6 HB3 LYS 1 HB1 LYS 1 18.591 16.551 -3.177 7 HG2 LYS 1 HG2 LYS 1 17.003 15.474 -1.537 8 HG3 LYS 1 HG1 LYS 1 16.853 17.043 -0.745 9 HD2 LYS 1 HD2 LYS 1 15.215 17.511 -2.224 10 HD3 LYS 1 HD1 LYS 1 16.474 17.605 -3.454 11 HE2 LYS 1 HE2 LYS 1 16.227 15.194 -3.901 12 HE3 LYS 1 HE1 LYS 1 14.977 15.088 -2.661 13 HZ1 LYS 1 HZ1 LYS 1 14.402 15.469 -5.191 14 HZ2 LYS 1 HZ2 LYS 1 14.641 17.095 -4.758 15 HZ3 LYS 1 HZ3 LYS 1 13.473 16.160 -3.951 16 H LYS 2 HN LYS 2 21.872 15.408 -1.245 17 HA LYS 2 HA LYS 2 21.706 13.453 -3.262 18 HB2 LYS 2 HB2 LYS 2 23.828 14.422 -2.375 19 HB3 LYS 2 HB1 LYS 2 23.592 13.492 -0.895 20 HG2 LYS 2 HG2 LYS 2 23.259 11.704 -3.091 21 HG3 LYS 2 HG1 LYS 2 24.742 12.617 -3.368 22 HD2 LYS 2 HD2 LYS 2 24.052 11.182 -0.786 23 HD3 LYS 2 HD1 LYS 2 25.144 10.562 -2.024 24 HE2 LYS 2 HE2 LYS 2 25.960 13.224 -1.452 25 HE3 LYS 2 HE1 LYS 2 25.719 12.413 0.095 26 HZ1 LYS 2 HZ1 LYS 2 27.867 11.838 -0.436 27 HZ2 LYS 2 HZ2 LYS 2 27.554 11.722 -2.101 28 HZ3 LYS 2 HZ3 LYS 2 27.011 10.507 -1.043 29 H HIS 3 HN HIS 3 22.175 12.765 0.206 30 HA HIS 3 HA HIS 3 19.985 10.909 0.311 31 HB2 HIS 3 HB2 HIS 3 21.796 9.656 -0.967 32 HB3 HIS 3 HB1 HIS 3 22.744 9.699 0.521 33 HD2 HIS 3 HD2 HIS 3 22.280 6.786 0.579 34 HE1 HIS 3 HE1 HIS 3 18.281 7.203 1.864 35 HE2 HIS 3 HE2 HIS 3 20.196 5.561 1.563 36 H THR 4 HN THR 4 22.070 9.428 2.221 37 HA THR 4 HA THR 4 21.780 11.335 4.467 38 HB THR 4 HB THR 4 20.122 9.646 4.831 39 HG1 THR 4 HG1 THR 4 21.047 9.921 6.736 40 HG21 THR 4 HG21 THR 4 20.348 7.653 3.823 41 HG22 THR 4 HG22 THR 4 21.583 7.233 5.007 42 HG23 THR 4 HG23 THR 4 22.046 7.978 3.476 43 H ILE 5 HN ILE 5 23.019 8.383 5.412 44 HA ILE 5 HA ILE 5 25.790 9.398 5.232 45 HB ILE 5 HB ILE 5 26.106 7.814 7.245 46 HG12 ILE 5 HG12 ILE 5 23.295 8.304 7.975 47 HG13 ILE 5 HG11 ILE 5 23.501 7.137 6.669 48 HG21 ILE 5 HG21 ILE 5 24.936 9.626 8.743 49 HG22 ILE 5 HG22 ILE 5 24.659 10.444 7.205 50 HG23 ILE 5 HG23 ILE 5 26.304 10.089 7.731 51 HD11 ILE 5 HD11 ILE 5 23.552 6.200 9.056 52 HD12 ILE 5 HD12 ILE 5 25.124 6.987 9.208 53 HD13 ILE 5 HD13 ILE 5 24.879 5.731 7.993 54 H TRP 6 HN TRP 6 23.627 6.810 4.505 55 HA TRP 6 HA TRP 6 25.187 4.574 4.314 56 HB2 TRP 6 HB2 TRP 6 22.788 5.547 3.041 57 HB3 TRP 6 HB1 TRP 6 23.771 4.656 1.879 58 HD1 TRP 6 HD1 TRP 6 22.658 2.356 1.800 59 HE1 TRP 6 HE1 TRP 6 22.075 0.544 3.531 60 HE3 TRP 6 HE3 TRP 6 23.720 4.885 6.097 61 HZ2 TRP 6 HZ2 TRP 6 22.064 0.213 6.367 62 HZ3 TRP 6 HZ3 TRP 6 23.415 3.799 8.305 63 HH2 TRP 6 HH2 TRP 6 22.589 1.466 8.445 64 H GLU 7 HN GLU 7 24.851 7.003 1.717 65 HA GLU 7 HA GLU 7 26.803 5.926 0.018 66 HB2 GLU 7 HB2 GLU 7 25.222 8.333 0.197 67 HB3 GLU 7 HB1 GLU 7 26.859 8.705 -0.344 68 HG2 GLU 7 HG2 GLU 7 25.138 6.519 -1.540 69 HG3 GLU 7 HG1 GLU 7 25.279 8.139 -2.217 70 H VAL 8 HN VAL 8 27.234 7.182 3.068 71 HA VAL 8 HA VAL 8 29.978 8.102 2.500 72 HB VAL 8 HB VAL 8 28.526 8.454 5.117 73 HG11 VAL 8 HG11 VAL 8 30.221 9.956 5.616 74 HG12 VAL 8 HG12 VAL 8 30.537 10.322 3.919 75 HG13 VAL 8 HG13 VAL 8 31.105 8.804 4.614 76 HG21 VAL 8 HG21 VAL 8 27.873 10.695 4.303 77 HG22 VAL 8 HG22 VAL 8 27.135 9.434 3.318 78 HG23 VAL 8 HG23 VAL 8 28.539 10.314 2.716 79 H ILE 9 HN ILE 9 28.072 5.855 4.451 80 HA ILE 9 HA ILE 9 30.571 4.529 5.279 81 HB ILE 9 HB ILE 9 29.612 5.125 7.281 82 HG12 ILE 9 HG12 ILE 9 29.536 2.455 6.792 83 HG13 ILE 9 HG11 ILE 9 29.109 3.174 8.331 84 HG21 ILE 9 HG21 ILE 9 26.947 4.798 5.918 85 HG22 ILE 9 HG22 ILE 9 27.701 6.270 6.525 86 HG23 ILE 9 HG23 ILE 9 27.103 5.066 7.658 87 HD11 ILE 9 HD11 ILE 9 26.782 3.041 7.897 88 HD12 ILE 9 HD12 ILE 9 27.434 1.496 7.358 89 HD13 ILE 9 HD13 ILE 9 27.032 2.737 6.181 90 H ALA 10 HN ALA 10 27.227 3.976 4.219 91 HA ALA 10 HA ALA 10 27.584 1.164 3.825 92 HB1 ALA 10 HB1 ALA 10 25.364 2.252 4.141 93 HB2 ALA 10 HB2 ALA 10 25.440 1.243 2.697 94 HB3 ALA 10 HB3 ALA 10 25.540 2.996 2.552 95 H GLY 11 HN GLY 11 26.995 3.700 1.373 96 HA2 GLY 11 HA2 GLY 11 27.778 2.250 -0.855 97 HA3 GLY 11 HA1 GLY 11 27.917 4.004 -0.723 98 H LEU 12 HN LEU 12 29.614 3.273 1.786 99 HA LEU 12 HA LEU 12 32.144 3.094 0.309 100 HB2 LEU 12 HB2 LEU 12 31.638 5.052 1.879 101 HB3 LEU 12 HB1 LEU 12 31.820 3.893 3.197 102 HG LEU 12 HG LEU 12 34.054 3.312 1.808 103 HD11 LEU 12 HD11 LEU 12 35.000 5.169 0.723 104 HD12 LEU 12 HD12 LEU 12 33.889 6.302 1.492 105 HD13 LEU 12 HD13 LEU 12 33.314 5.237 0.209 106 HD21 LEU 12 HD21 LEU 12 33.683 5.587 3.782 107 HD22 LEU 12 HD22 LEU 12 35.236 4.855 3.381 108 HD23 LEU 12 HD23 LEU 12 33.991 3.896 4.179 109 H VAL 13 HN VAL 13 30.148 1.496 2.673 110 HA VAL 13 HA VAL 13 32.257 -0.553 3.052 111 HB VAL 13 HB VAL 13 29.962 0.134 4.906 112 HG11 VAL 13 HG11 VAL 13 31.276 -1.411 6.441 113 HG12 VAL 13 HG12 VAL 13 32.198 -1.903 5.020 114 HG13 VAL 13 HG13 VAL 13 30.461 -2.204 5.092 115 HG21 VAL 13 HG21 VAL 13 32.104 1.679 4.631 116 HG22 VAL 13 HG22 VAL 13 32.873 0.411 5.582 117 HG23 VAL 13 HG23 VAL 13 31.490 1.286 6.236 118 H ALA 14 HN ALA 14 28.698 -0.196 3.023 119 HA ALA 14 HA ALA 14 27.929 -2.802 2.767 120 HB1 ALA 14 HB1 ALA 14 26.816 -0.477 1.178 121 HB2 ALA 14 HB2 ALA 14 26.341 -0.920 2.818 122 HB3 ALA 14 HB3 ALA 14 25.995 -2.009 1.473 123 H LEU 15 HN LEU 15 29.158 -0.701 0.183 124 HA LEU 15 HA LEU 15 28.880 -2.639 -1.884 125 HB2 LEU 15 HB2 LEU 15 29.129 -0.190 -2.296 126 HB3 LEU 15 HB1 LEU 15 30.796 -0.295 -1.735 127 HG LEU 15 HG LEU 15 31.280 -1.946 -3.531 128 HD11 LEU 15 HD11 LEU 15 29.373 -1.800 -5.404 129 HD12 LEU 15 HD12 LEU 15 28.347 -1.591 -3.987 130 HD13 LEU 15 HD13 LEU 15 29.340 -3.038 -4.148 131 HD21 LEU 15 HD21 LEU 15 30.333 -0.023 -5.360 132 HD22 LEU 15 HD22 LEU 15 31.924 -0.069 -4.600 133 HD23 LEU 15 HD23 LEU 15 30.619 0.856 -3.859 134 H LEU 16 HN LEU 16 31.351 -1.886 0.475 135 HA LEU 16 HA LEU 16 33.238 -3.780 -0.698 136 HB2 LEU 16 HB2 LEU 16 33.549 -2.277 1.898 137 HB3 LEU 16 HB1 LEU 16 34.814 -2.958 0.873 138 HG LEU 16 HG LEU 16 32.995 -0.632 0.190 139 HD11 LEU 16 HD11 LEU 16 34.992 -0.296 1.762 140 HD12 LEU 16 HD12 LEU 16 34.961 0.713 0.315 141 HD13 LEU 16 HD13 LEU 16 36.012 -0.703 0.381 142 HD21 LEU 16 HD21 LEU 16 34.622 -0.568 -1.841 143 HD22 LEU 16 HD22 LEU 16 33.308 -1.745 -1.862 144 HD23 LEU 16 HD23 LEU 16 34.942 -2.256 -1.440 145 H THR 17 HN THR 17 30.570 -3.966 1.219 146 HA THR 17 HA THR 17 31.599 -6.307 2.704 147 HB THR 17 HB THR 17 29.689 -4.146 3.459 148 HG1 THR 17 HG1 THR 17 30.934 -4.124 5.204 149 HG21 THR 17 HG21 THR 17 29.489 -7.045 4.269 150 HG22 THR 17 HG22 THR 17 28.199 -5.962 3.743 151 HG23 THR 17 HG23 THR 17 28.934 -5.753 5.331 152 H PHE 18 HN PHE 18 28.474 -5.016 1.559 153 HA PHE 18 HA PHE 18 27.012 -7.309 1.408 154 HB2 PHE 18 HB2 PHE 18 26.425 -4.865 0.703 155 HB3 PHE 18 HB1 PHE 18 26.914 -5.400 -0.907 156 HD1 PHE 18 HD2 PHE 18 24.544 -5.980 1.881 157 HD2 PHE 18 HD1 PHE 18 25.595 -6.977 -2.163 158 HE1 PHE 18 HE2 PHE 18 22.356 -7.110 1.590 159 HE2 PHE 18 HE1 PHE 18 23.409 -8.107 -2.454 160 HZ PHE 18 HZ PHE 18 21.786 -8.173 -0.576 161 H LEU 19 HN LEU 19 29.389 -6.177 -0.969 162 HA LEU 19 HA LEU 19 28.940 -8.368 -2.773 163 HB2 LEU 19 HB2 LEU 19 31.006 -6.190 -2.559 164 HB3 LEU 19 HB1 LEU 19 31.200 -7.500 -3.720 165 HG LEU 19 HG LEU 19 30.043 -5.454 -4.647 166 HD11 LEU 19 HD11 LEU 19 28.980 -6.819 -6.098 167 HD12 LEU 19 HD12 LEU 19 27.871 -7.390 -4.852 168 HD13 LEU 19 HD13 LEU 19 29.445 -8.158 -5.047 169 HD21 LEU 19 HD21 LEU 19 27.862 -4.862 -3.904 170 HD22 LEU 19 HD22 LEU 19 28.806 -5.076 -2.429 171 HD23 LEU 19 HD23 LEU 19 27.700 -6.343 -2.959 172 H ALA 20 HN ALA 20 30.848 -7.880 0.062 173 HA ALA 20 HA ALA 20 32.689 -10.053 -0.533 174 HB1 ALA 20 HB1 ALA 20 32.666 -7.837 1.236 175 HB2 ALA 20 HB2 ALA 20 33.951 -9.023 1.004 176 HB3 ALA 20 HB3 ALA 20 32.715 -9.292 2.232 177 H PHE 21 HN PHE 21 30.050 -9.413 1.764 178 HA PHE 21 HA PHE 21 30.080 -12.140 2.736 179 HB2 PHE 21 HB2 PHE 21 28.289 -9.767 3.274 180 HB3 PHE 21 HB1 PHE 21 28.040 -11.351 4.009 181 HD1 PHE 21 HD2 PHE 21 30.761 -8.829 3.449 182 HD2 PHE 21 HD1 PHE 21 29.097 -11.827 6.038 183 HE1 PHE 21 HE2 PHE 21 32.477 -8.304 5.159 184 HE2 PHE 21 HE1 PHE 21 30.813 -11.302 7.747 185 HZ PHE 21 HZ PHE 21 32.505 -9.541 7.306 186 H GLY 22 HN GLY 22 27.957 -10.111 0.739 187 HA2 GLY 22 HA2 GLY 22 25.874 -11.930 0.328 188 HA3 GLY 22 HA1 GLY 22 26.337 -10.660 -0.801 189 H PHE 23 HN PHE 23 28.911 -11.494 -1.476 190 HA PHE 23 HA PHE 23 28.412 -13.324 -3.523 191 HB2 PHE 23 HB2 PHE 23 30.317 -12.049 -3.890 192 HB3 PHE 23 HB1 PHE 23 30.888 -12.241 -2.232 193 HD1 PHE 23 HD2 PHE 23 30.302 -14.125 -5.404 194 HD2 PHE 23 HD1 PHE 23 32.405 -13.944 -1.664 195 HE1 PHE 23 HE2 PHE 23 31.692 -16.058 -6.093 196 HE2 PHE 23 HE1 PHE 23 33.794 -15.877 -2.353 197 HZ PHE 23 HZ PHE 23 33.438 -16.936 -4.569 198 H TRP 24 HN TRP 24 28.699 -13.841 -0.216 199 HA TRP 24 HA TRP 24 29.387 -16.685 -0.604 200 HB2 TRP 24 HB2 TRP 24 30.959 -15.668 0.894 201 HB3 TRP 24 HB1 TRP 24 29.665 -14.902 1.816 202 HD1 TRP 24 HD1 TRP 24 30.347 -18.532 0.669 203 HE1 TRP 24 HE1 TRP 24 29.928 -20.101 2.676 204 HE3 TRP 24 HE3 TRP 24 29.067 -15.098 4.204 205 HZ2 TRP 24 HZ2 TRP 24 29.151 -19.913 5.419 206 HZ3 TRP 24 HZ3 TRP 24 28.490 -15.812 6.510 207 HH2 TRP 24 HH2 TRP 24 28.531 -18.214 7.119 208 H LEU 25 HN LEU 25 27.722 -14.945 1.978 209 HA LEU 25 HA LEU 25 25.991 -16.568 3.031 210 HB2 LEU 25 HB2 LEU 25 25.638 -13.786 2.114 211 HB3 LEU 25 HB1 LEU 25 24.154 -14.647 2.527 212 HG LEU 25 HG LEU 25 26.563 -14.711 4.338 213 HD11 LEU 25 HD11 LEU 25 24.275 -12.722 4.441 214 HD12 LEU 25 HD12 LEU 25 25.917 -12.336 3.928 215 HD13 LEU 25 HD13 LEU 25 25.607 -12.839 5.591 216 HD21 LEU 25 HD21 LEU 25 25.194 -15.833 5.757 217 HD22 LEU 25 HD22 LEU 25 24.144 -16.071 4.362 218 HD23 LEU 25 HD23 LEU 25 23.852 -14.728 5.465 219 H PHE 26 HN PHE 26 25.090 -15.092 -0.106 220 HA PHE 26 HA PHE 26 22.896 -16.916 -0.426 221 HB2 PHE 26 HB2 PHE 26 24.129 -15.323 -2.658 222 HB3 PHE 26 HB1 PHE 26 22.442 -15.784 -2.435 223 HD1 PHE 26 HD2 PHE 26 21.623 -15.038 0.125 224 HD2 PHE 26 HD1 PHE 26 24.485 -13.038 -2.379 225 HE1 PHE 26 HE2 PHE 26 21.185 -12.916 1.322 226 HE2 PHE 26 HE1 PHE 26 24.048 -10.914 -1.177 227 HZ PHE 26 HZ PHE 26 22.404 -10.855 0.676 228 H LYS 27 HN LYS 27 25.923 -16.465 -2.258 229 HA LYS 27 HA LYS 27 25.628 -18.741 -3.855 230 HB2 LYS 27 HB2 LYS 27 28.305 -17.638 -2.993 231 HB3 LYS 27 HB1 LYS 27 27.909 -18.464 -4.493 232 HG2 LYS 27 HG2 LYS 27 26.578 -15.842 -3.776 233 HG3 LYS 27 HG1 LYS 27 28.147 -15.873 -4.552 234 HD2 LYS 27 HD2 LYS 27 25.854 -17.437 -5.709 235 HD3 LYS 27 HD1 LYS 27 26.032 -15.719 -6.043 236 HE2 LYS 27 HE2 LYS 27 27.774 -16.062 -7.445 237 HE3 LYS 27 HE1 LYS 27 28.534 -17.231 -6.366 238 HZ1 LYS 27 HZ1 LYS 27 26.416 -18.613 -7.168 239 HZ2 LYS 27 HZ2 LYS 27 27.915 -18.660 -7.966 240 HZ3 LYS 27 HZ3 LYS 27 26.669 -17.662 -8.549 241 H TYR 28 HN TYR 28 25.798 -18.787 -0.604 242 HA TYR 28 HA TYR 28 27.096 -21.449 -0.587 243 HB2 TYR 28 HB2 TYR 28 28.582 -20.566 0.860 244 HB3 TYR 28 HB1 TYR 28 27.612 -19.118 1.109 245 HD1 TYR 28 HD1 TYR 28 27.510 -22.788 1.891 246 HD2 TYR 28 HD2 TYR 28 26.648 -18.792 3.206 247 HE1 TYR 28 HE1 TYR 28 26.750 -23.671 4.082 248 HE2 TYR 28 HE2 TYR 28 25.889 -19.672 5.394 249 HH TYR 28 HH TYR 28 25.037 -21.765 6.336 250 H LEU 29 HN LEU 29 24.684 -19.346 0.971 251 HA LEU 29 HA LEU 29 23.373 -21.696 2.121 252 HB2 LEU 29 HB2 LEU 29 23.759 -19.219 3.143 253 HB3 LEU 29 HB1 LEU 29 22.150 -19.022 2.446 254 HG LEU 29 HG LEU 29 22.989 -21.211 4.370 255 HD11 LEU 29 HD11 LEU 29 21.240 -20.013 5.812 256 HD12 LEU 29 HD12 LEU 29 21.375 -18.673 4.671 257 HD13 LEU 29 HD13 LEU 29 22.784 -19.185 5.603 258 HD21 LEU 29 HD21 LEU 29 20.351 -21.404 4.363 259 HD22 LEU 29 HD22 LEU 29 21.299 -22.208 3.111 260 HD23 LEU 29 HD23 LEU 29 20.509 -20.668 2.768 261 H GLN 30 HN GLN 30 22.709 -19.077 -0.170 262 HA GLN 30 HA GLN 30 20.054 -20.030 -0.766 263 HB2 GLN 30 HB2 GLN 30 20.545 -17.667 -1.002 264 HB3 GLN 30 HB1 GLN 30 21.831 -18.015 -2.153 265 HG2 GLN 30 HG2 GLN 30 20.398 -18.418 -3.867 266 HG3 GLN 30 HG1 GLN 30 19.175 -19.133 -2.819 267 HE21 GLN 30 HE21 GLN 30 20.505 -15.995 -1.948 268 HE22 GLN 30 HE22 GLN 30 19.129 -15.091 -2.364 269 H LYS 31 HN LYS 31 23.221 -20.839 -1.762 270 HA LYS 31 HA LYS 31 22.185 -22.275 -4.135 271 HB2 LYS 31 HB2 LYS 31 24.781 -20.905 -3.560 272 HB3 LYS 31 HB1 LYS 31 24.794 -22.318 -4.613 273 HG2 LYS 31 HG2 LYS 31 24.515 -20.132 -5.833 274 HG3 LYS 31 HG1 LYS 31 23.221 -21.293 -6.130 275 HD2 LYS 31 HD2 LYS 31 21.680 -20.109 -4.844 276 HD3 LYS 31 HD1 LYS 31 22.931 -19.310 -3.891 277 HE2 LYS 31 HE2 LYS 31 22.929 -18.735 -6.808 278 HE3 LYS 31 HE1 LYS 31 21.584 -18.073 -5.880 279 HZ1 LYS 31 HZ1 LYS 31 22.904 -16.575 -4.947 280 HZ2 LYS 31 HZ2 LYS 31 24.100 -17.018 -6.068 281 HZ3 LYS 31 HZ3 LYS 31 24.068 -17.734 -4.528 282 H LYS 32 HN LYS 32 21.512 -23.790 -2.273 283 HA LYS 32 HA LYS 32 23.526 -25.890 -2.139 284 HB2 LYS 32 HB2 LYS 32 23.266 -26.180 0.297 285 HB3 LYS 32 HB1 LYS 32 23.966 -24.610 -0.100 286 HG2 LYS 32 HG2 LYS 32 22.334 -23.751 1.214 287 HG3 LYS 32 HG1 LYS 32 21.258 -24.081 -0.146 288 HD2 LYS 32 HD2 LYS 32 20.984 -26.431 0.836 289 HD3 LYS 32 HD1 LYS 32 21.757 -25.800 2.290 290 HE2 LYS 32 HE2 LYS 32 19.685 -25.150 2.921 291 HE3 LYS 32 HE1 LYS 32 19.854 -23.873 1.719 292 HZ1 LYS 32 HZ1 LYS 32 18.974 -25.527 0.071 293 HZ2 LYS 32 HZ2 LYS 32 17.857 -24.992 1.234 294 HZ3 LYS 32 HZ3 LYS 32 18.576 -26.524 1.383 Start of MODEL 36 1 H1 LYS 1 HT1 LYS 1 23.804 18.645 1.974 2 H2 LYS 1 HT2 LYS 1 24.096 17.024 1.560 3 H3 LYS 1 HT3 LYS 1 22.505 17.617 1.611 4 HA LYS 1 HA LYS 1 22.728 18.824 -0.330 5 HB2 LYS 1 HB2 LYS 1 24.965 19.779 0.524 6 HB3 LYS 1 HB1 LYS 1 25.718 18.404 -0.283 7 HG2 LYS 1 HG2 LYS 1 24.471 19.097 -2.385 8 HG3 LYS 1 HG1 LYS 1 24.040 20.584 -1.543 9 HD2 LYS 1 HD2 LYS 1 26.004 21.403 -2.315 10 HD3 LYS 1 HD1 LYS 1 26.764 20.388 -1.087 11 HE2 LYS 1 HE2 LYS 1 27.828 19.837 -3.163 12 HE3 LYS 1 HE1 LYS 1 26.731 18.503 -2.800 13 HZ1 LYS 1 HZ1 LYS 1 26.770 20.075 -5.077 14 HZ2 LYS 1 HZ2 LYS 1 25.366 20.522 -4.229 15 HZ3 LYS 1 HZ3 LYS 1 25.622 18.898 -4.657 16 H LYS 2 HN LYS 2 24.594 15.981 0.534 17 HA LYS 2 HA LYS 2 24.237 14.849 -2.153 18 HB2 LYS 2 HB2 LYS 2 26.431 14.453 -1.450 19 HB3 LYS 2 HB1 LYS 2 25.946 14.141 0.217 20 HG2 LYS 2 HG2 LYS 2 25.133 11.989 -0.292 21 HG3 LYS 2 HG1 LYS 2 25.015 12.342 -2.016 22 HD2 LYS 2 HD2 LYS 2 26.954 10.873 -1.484 23 HD3 LYS 2 HD1 LYS 2 27.454 12.406 -2.201 24 HE2 LYS 2 HE2 LYS 2 28.129 13.289 -0.092 25 HE3 LYS 2 HE1 LYS 2 27.308 12.001 0.791 26 HZ1 LYS 2 HZ1 LYS 2 29.735 11.691 0.632 27 HZ2 LYS 2 HZ2 LYS 2 29.594 11.575 -1.056 28 HZ3 LYS 2 HZ3 LYS 2 28.861 10.412 -0.057 29 H HIS 3 HN HIS 3 24.008 13.517 1.147 30 HA HIS 3 HA HIS 3 21.283 12.737 0.914 31 HB2 HIS 3 HB2 HIS 3 21.381 10.547 0.238 32 HB3 HIS 3 HB1 HIS 3 22.792 11.138 -0.637 33 HD2 HIS 3 HD2 HIS 3 22.374 8.032 0.958 34 HE1 HIS 3 HE1 HIS 3 25.785 9.410 3.018 35 HE2 HIS 3 HE2 HIS 3 24.371 7.368 2.502 36 H THR 4 HN THR 4 21.511 10.353 2.550 37 HA THR 4 HA THR 4 21.830 11.598 5.106 38 HB THR 4 HB THR 4 20.206 9.894 5.064 39 HG1 THR 4 HG1 THR 4 21.349 8.144 6.315 40 HG21 THR 4 HG21 THR 4 20.813 8.755 3.017 41 HG22 THR 4 HG22 THR 4 20.752 7.559 4.309 42 HG23 THR 4 HG23 THR 4 22.305 8.157 3.738 43 H ILE 5 HN ILE 5 23.142 8.506 5.305 44 HA ILE 5 HA ILE 5 25.911 9.550 5.331 45 HB ILE 5 HB ILE 5 26.213 7.877 7.261 46 HG12 ILE 5 HG12 ILE 5 23.414 8.357 8.034 47 HG13 ILE 5 HG11 ILE 5 23.599 7.257 6.668 48 HG21 ILE 5 HG21 ILE 5 25.319 9.584 8.900 49 HG22 ILE 5 HG22 ILE 5 24.619 10.436 7.524 50 HG23 ILE 5 HG23 ILE 5 26.368 10.249 7.647 51 HD11 ILE 5 HD11 ILE 5 24.964 5.767 7.909 52 HD12 ILE 5 HD12 ILE 5 23.652 6.199 9.007 53 HD13 ILE 5 HD13 ILE 5 25.236 6.954 9.184 54 H TRP 6 HN TRP 6 23.707 6.978 4.565 55 HA TRP 6 HA TRP 6 25.207 4.742 4.242 56 HB2 TRP 6 HB2 TRP 6 22.888 5.873 2.938 57 HB3 TRP 6 HB1 TRP 6 23.867 4.965 1.789 58 HD1 TRP 6 HD1 TRP 6 22.574 2.765 1.609 59 HE1 TRP 6 HE1 TRP 6 21.881 0.920 3.262 60 HE3 TRP 6 HE3 TRP 6 23.790 5.035 6.011 61 HZ2 TRP 6 HZ2 TRP 6 21.848 0.466 6.081 62 HZ3 TRP 6 HZ3 TRP 6 23.420 3.876 8.168 63 HH2 TRP 6 HH2 TRP 6 22.450 1.596 8.211 64 H GLU 7 HN GLU 7 24.843 6.881 1.422 65 HA GLU 7 HA GLU 7 26.919 5.902 -0.070 66 HB2 GLU 7 HB2 GLU 7 25.881 8.724 0.141 67 HB3 GLU 7 HB1 GLU 7 27.065 8.226 -1.063 68 HG2 GLU 7 HG2 GLU 7 24.786 6.400 -0.905 69 HG3 GLU 7 HG1 GLU 7 24.309 8.043 -1.331 70 H VAL 8 HN VAL 8 27.233 7.483 2.943 71 HA VAL 8 HA VAL 8 30.004 8.266 2.368 72 HB VAL 8 HB VAL 8 28.453 8.763 4.918 73 HG11 VAL 8 HG11 VAL 8 30.402 9.528 5.715 74 HG12 VAL 8 HG12 VAL 8 30.552 10.623 4.341 75 HG13 VAL 8 HG13 VAL 8 31.203 8.988 4.240 76 HG21 VAL 8 HG21 VAL 8 29.064 11.053 3.210 77 HG22 VAL 8 HG22 VAL 8 27.540 10.609 3.971 78 HG23 VAL 8 HG23 VAL 8 27.986 9.909 2.413 79 H ILE 9 HN ILE 9 28.115 5.971 4.256 80 HA ILE 9 HA ILE 9 30.635 4.691 5.111 81 HB ILE 9 HB ILE 9 29.712 5.309 7.125 82 HG12 ILE 9 HG12 ILE 9 29.673 2.641 6.671 83 HG13 ILE 9 HG11 ILE 9 29.246 3.364 8.207 84 HG21 ILE 9 HG21 ILE 9 27.211 5.206 7.553 85 HG22 ILE 9 HG22 ILE 9 27.030 4.938 5.817 86 HG23 ILE 9 HG23 ILE 9 27.779 6.416 6.413 87 HD11 ILE 9 HD11 ILE 9 26.920 3.177 7.797 88 HD12 ILE 9 HD12 ILE 9 27.598 1.643 7.256 89 HD13 ILE 9 HD13 ILE 9 27.158 2.872 6.081 90 H ALA 10 HN ALA 10 27.291 4.149 4.078 91 HA ALA 10 HA ALA 10 27.578 1.324 3.756 92 HB1 ALA 10 HB1 ALA 10 25.615 3.218 2.443 93 HB2 ALA 10 HB2 ALA 10 25.379 2.424 4.000 94 HB3 ALA 10 HB3 ALA 10 25.465 1.464 2.526 95 H GLY 11 HN GLY 11 27.099 3.804 1.223 96 HA2 GLY 11 HA2 GLY 11 27.883 2.278 -0.951 97 HA3 GLY 11 HA1 GLY 11 28.075 4.029 -0.859 98 H LEU 12 HN LEU 12 29.701 3.325 1.698 99 HA LEU 12 HA LEU 12 32.249 3.038 0.279 100 HB2 LEU 12 HB2 LEU 12 31.790 5.034 1.798 101 HB3 LEU 12 HB1 LEU 12 31.871 3.897 3.145 102 HG LEU 12 HG LEU 12 34.128 3.196 1.841 103 HD11 LEU 12 HD11 LEU 12 33.538 5.130 0.200 104 HD12 LEU 12 HD12 LEU 12 35.196 5.009 0.789 105 HD13 LEU 12 HD13 LEU 12 34.093 6.189 1.498 106 HD21 LEU 12 HD21 LEU 12 33.720 5.452 3.823 107 HD22 LEU 12 HD22 LEU 12 35.301 4.781 3.429 108 HD23 LEU 12 HD23 LEU 12 34.078 3.765 4.186 109 H VAL 13 HN VAL 13 30.175 1.549 2.650 110 HA VAL 13 HA VAL 13 32.200 -0.570 3.081 111 HB VAL 13 HB VAL 13 29.921 0.259 4.893 112 HG11 VAL 13 HG11 VAL 13 30.225 -2.066 5.205 113 HG12 VAL 13 HG12 VAL 13 31.219 -1.330 6.462 114 HG13 VAL 13 HG13 VAL 13 31.972 -1.952 4.993 115 HG21 VAL 13 HG21 VAL 13 31.536 1.277 6.266 116 HG22 VAL 13 HG22 VAL 13 32.088 1.712 4.649 117 HG23 VAL 13 HG23 VAL 13 32.865 0.391 5.521 118 H ALA 14 HN ALA 14 28.658 -0.083 3.027 119 HA ALA 14 HA ALA 14 27.797 -2.665 2.782 120 HB1 ALA 14 HB1 ALA 14 26.791 -0.255 1.243 121 HB2 ALA 14 HB2 ALA 14 26.239 -0.790 2.831 122 HB3 ALA 14 HB3 ALA 14 25.920 -1.781 1.406 123 H LEU 15 HN LEU 15 28.966 -0.587 0.134 124 HA LEU 15 HA LEU 15 28.683 -2.544 -1.892 125 HB2 LEU 15 HB2 LEU 15 28.974 -0.110 -2.338 126 HB3 LEU 15 HB1 LEU 15 30.640 -0.230 -1.773 127 HG LEU 15 HG LEU 15 31.110 -1.902 -3.548 128 HD11 LEU 15 HD11 LEU 15 29.205 -1.774 -5.422 129 HD12 LEU 15 HD12 LEU 15 28.179 -1.531 -4.008 130 HD13 LEU 15 HD13 LEU 15 29.160 -2.989 -4.144 131 HD21 LEU 15 HD21 LEU 15 30.646 0.881 -3.844 132 HD22 LEU 15 HD22 LEU 15 30.044 0.110 -5.309 133 HD23 LEU 15 HD23 LEU 15 31.715 -0.138 -4.807 134 H LEU 16 HN LEU 16 31.156 -1.849 0.472 135 HA LEU 16 HA LEU 16 32.984 -3.814 -0.698 136 HB2 LEU 16 HB2 LEU 16 33.420 -2.220 1.822 137 HB3 LEU 16 HB1 LEU 16 34.632 -2.967 0.781 138 HG LEU 16 HG LEU 16 32.855 -0.611 0.092 139 HD11 LEU 16 HD11 LEU 16 34.988 -0.362 1.545 140 HD12 LEU 16 HD12 LEU 16 34.831 0.683 0.133 141 HD13 LEU 16 HD13 LEU 16 35.869 -0.742 0.065 142 HD21 LEU 16 HD21 LEU 16 34.661 -2.358 -1.577 143 HD22 LEU 16 HD22 LEU 16 34.370 -0.675 -2.021 144 HD23 LEU 16 HD23 LEU 16 33.022 -1.811 -1.931 145 H THR 17 HN THR 17 30.318 -4.015 1.106 146 HA THR 17 HA THR 17 31.355 -6.276 2.703 147 HB THR 17 HB THR 17 29.505 -4.061 3.480 148 HG1 THR 17 HG1 THR 17 31.752 -4.256 4.117 149 HG21 THR 17 HG21 THR 17 29.353 -6.937 4.375 150 HG22 THR 17 HG22 THR 17 28.036 -5.860 3.908 151 HG23 THR 17 HG23 THR 17 28.869 -5.622 5.443 152 H PHE 18 HN PHE 18 28.259 -4.902 1.572 153 HA PHE 18 HA PHE 18 26.643 -7.072 1.573 154 HB2 PHE 18 HB2 PHE 18 26.294 -4.657 0.592 155 HB3 PHE 18 HB1 PHE 18 26.700 -5.436 -0.937 156 HD1 PHE 18 HD2 PHE 18 24.484 -5.815 2.057 157 HD2 PHE 18 HD1 PHE 18 25.053 -6.621 -2.122 158 HE1 PHE 18 HE2 PHE 18 22.186 -6.737 1.923 159 HE2 PHE 18 HE1 PHE 18 22.756 -7.543 -2.258 160 HZ PHE 18 HZ PHE 18 21.321 -7.601 -0.236 161 H LEU 19 HN LEU 19 28.955 -6.293 -1.029 162 HA LEU 19 HA LEU 19 28.433 -8.696 -2.499 163 HB2 LEU 19 HB2 LEU 19 30.549 -6.561 -2.610 164 HB3 LEU 19 HB1 LEU 19 30.704 -8.020 -3.584 165 HG LEU 19 HG LEU 19 29.568 -6.093 -4.764 166 HD11 LEU 19 HD11 LEU 19 28.915 -8.821 -4.783 167 HD12 LEU 19 HD12 LEU 19 28.490 -7.632 -6.011 168 HD13 LEU 19 HD13 LEU 19 27.361 -7.991 -4.707 169 HD21 LEU 19 HD21 LEU 19 27.390 -5.391 -4.090 170 HD22 LEU 19 HD22 LEU 19 28.363 -5.388 -2.620 171 HD23 LEU 19 HD23 LEU 19 27.245 -6.714 -2.933 172 H ALA 20 HN ALA 20 31.131 -7.649 -0.413 173 HA ALA 20 HA ALA 20 32.763 -9.848 -0.546 174 HB1 ALA 20 HB1 ALA 20 33.839 -8.773 1.098 175 HB2 ALA 20 HB2 ALA 20 32.503 -9.048 2.215 176 HB3 ALA 20 HB3 ALA 20 32.496 -7.633 1.163 177 H PHE 21 HN PHE 21 30.067 -9.431 1.767 178 HA PHE 21 HA PHE 21 30.235 -12.193 2.604 179 HB2 PHE 21 HB2 PHE 21 28.305 -9.958 3.245 180 HB3 PHE 21 HB1 PHE 21 28.167 -11.583 3.917 181 HD1 PHE 21 HD1 PHE 21 30.585 -8.752 3.535 182 HD2 PHE 21 HD2 PHE 21 29.393 -12.183 5.828 183 HE1 PHE 21 HE1 PHE 21 32.279 -8.189 5.257 184 HE2 PHE 21 HE2 PHE 21 31.087 -11.619 7.551 185 HZ PHE 21 HZ PHE 21 32.529 -9.622 7.265 186 H GLY 22 HN GLY 22 28.163 -10.225 0.531 187 HA2 GLY 22 HA2 GLY 22 26.059 -12.002 0.101 188 HA3 GLY 22 HA1 GLY 22 26.620 -10.815 -1.072 189 H PHE 23 HN PHE 23 29.162 -11.730 -1.622 190 HA PHE 23 HA PHE 23 28.734 -13.653 -3.578 191 HB2 PHE 23 HB2 PHE 23 31.023 -12.288 -2.434 192 HB3 PHE 23 HB1 PHE 23 31.413 -13.959 -2.836 193 HD1 PHE 23 HD2 PHE 23 30.297 -14.765 -5.163 194 HD2 PHE 23 HD1 PHE 23 31.305 -10.717 -4.140 195 HE1 PHE 23 HE2 PHE 23 30.384 -14.176 -7.571 196 HE2 PHE 23 HE1 PHE 23 31.393 -10.129 -6.545 197 HZ PHE 23 HZ PHE 23 30.932 -11.859 -8.262 198 H TRP 24 HN TRP 24 28.933 -14.028 -0.214 199 HA TRP 24 HA TRP 24 29.495 -16.910 -0.457 200 HB2 TRP 24 HB2 TRP 24 31.009 -15.891 1.090 201 HB3 TRP 24 HB1 TRP 24 29.697 -15.023 1.890 202 HD1 TRP 24 HD1 TRP 24 30.363 -18.727 1.000 203 HE1 TRP 24 HE1 TRP 24 29.732 -20.172 3.045 204 HE3 TRP 24 HE3 TRP 24 28.846 -15.077 4.208 205 HZ2 TRP 24 HZ2 TRP 24 28.716 -19.815 5.691 206 HZ3 TRP 24 HZ3 TRP 24 28.047 -15.648 6.489 207 HH2 TRP 24 HH2 TRP 24 27.981 -18.012 7.233 208 H LEU 25 HN LEU 25 27.703 -14.970 1.903 209 HA LEU 25 HA LEU 25 25.880 -16.499 2.957 210 HB2 LEU 25 HB2 LEU 25 25.617 -13.786 1.806 211 HB3 LEU 25 HB1 LEU 25 24.109 -14.603 2.220 212 HG LEU 25 HG LEU 25 26.417 -14.566 4.155 213 HD11 LEU 25 HD11 LEU 25 24.242 -12.466 3.903 214 HD12 LEU 25 HD12 LEU 25 25.944 -12.217 3.518 215 HD13 LEU 25 HD13 LEU 25 25.456 -12.548 5.179 216 HD21 LEU 25 HD21 LEU 25 24.898 -15.412 5.631 217 HD22 LEU 25 HD22 LEU 25 23.998 -15.857 4.181 218 HD23 LEU 25 HD23 LEU 25 23.604 -14.369 5.044 219 H PHE 26 HN PHE 26 25.235 -15.246 -0.331 220 HA PHE 26 HA PHE 26 23.030 -17.056 -0.708 221 HB2 PHE 26 HB2 PHE 26 24.470 -15.624 -2.926 222 HB3 PHE 26 HB1 PHE 26 22.759 -16.031 -2.804 223 HD1 PHE 26 HD1 PHE 26 21.783 -15.117 -0.349 224 HD2 PHE 26 HD2 PHE 26 24.857 -13.329 -2.759 225 HE1 PHE 26 HE1 PHE 26 21.322 -12.919 0.694 226 HE2 PHE 26 HE2 PHE 26 24.394 -11.130 -1.716 227 HZ PHE 26 HZ PHE 26 22.631 -10.925 0.013 228 H LYS 27 HN LYS 27 26.095 -16.736 -2.504 229 HA LYS 27 HA LYS 27 25.999 -19.062 -3.948 230 HB2 LYS 27 HB2 LYS 27 28.554 -18.069 -2.686 231 HB3 LYS 27 HB1 LYS 27 28.351 -18.886 -4.235 232 HG2 LYS 27 HG2 LYS 27 27.422 -16.092 -3.514 233 HG3 LYS 27 HG1 LYS 27 28.663 -16.533 -4.685 234 HD2 LYS 27 HD2 LYS 27 26.793 -17.871 -5.869 235 HD3 LYS 27 HD1 LYS 27 25.680 -16.932 -4.873 236 HE2 LYS 27 HE2 LYS 27 27.786 -15.734 -6.700 237 HE3 LYS 27 HE1 LYS 27 26.073 -15.878 -7.095 238 HZ1 LYS 27 HZ1 LYS 27 27.317 -13.849 -5.672 239 HZ2 LYS 27 HZ2 LYS 27 26.369 -14.702 -4.551 240 HZ3 LYS 27 HZ3 LYS 27 25.656 -14.050 -5.948 241 H TYR 28 HN TYR 28 26.093 -18.872 -0.565 242 HA TYR 28 HA TYR 28 27.097 -21.654 -0.364 243 HB2 TYR 28 HB2 TYR 28 28.471 -20.801 1.193 244 HB3 TYR 28 HB1 TYR 28 27.589 -19.279 1.257 245 HD1 TYR 28 HD1 TYR 28 27.201 -22.872 2.257 246 HD2 TYR 28 HD2 TYR 28 26.393 -18.759 3.193 247 HE1 TYR 28 HE1 TYR 28 26.167 -23.562 4.406 248 HE2 TYR 28 HE2 TYR 28 25.358 -19.447 5.337 249 HH TYR 28 HH TYR 28 25.608 -22.691 6.538 250 H LEU 29 HN LEU 29 24.734 -19.401 1.085 251 HA LEU 29 HA LEU 29 23.203 -21.623 2.157 252 HB2 LEU 29 HB2 LEU 29 23.579 -19.132 3.080 253 HB3 LEU 29 HB1 LEU 29 22.095 -18.867 2.164 254 HG LEU 29 HG LEU 29 22.502 -20.991 4.293 255 HD11 LEU 29 HD11 LEU 29 22.312 -18.838 5.339 256 HD12 LEU 29 HD12 LEU 29 20.729 -19.603 5.466 257 HD13 LEU 29 HD13 LEU 29 21.010 -18.357 4.251 258 HD21 LEU 29 HD21 LEU 29 20.280 -20.347 2.370 259 HD22 LEU 29 HD22 LEU 29 19.892 -21.019 3.953 260 HD23 LEU 29 HD23 LEU 29 20.920 -21.922 2.840 261 H GLN 30 HN GLN 30 22.780 -19.102 -0.307 262 HA GLN 30 HA GLN 30 20.175 -19.984 -1.095 263 HB2 GLN 30 HB2 GLN 30 20.910 -17.691 -1.490 264 HB3 GLN 30 HB1 GLN 30 22.203 -18.268 -2.538 265 HG2 GLN 30 HG2 GLN 30 20.805 -18.671 -4.282 266 HG3 GLN 30 HG1 GLN 30 19.506 -19.244 -3.238 267 HE21 GLN 30 HE21 GLN 30 20.966 -16.115 -2.554 268 HE22 GLN 30 HE22 GLN 30 19.653 -15.182 -3.088 269 H LYS 31 HN LYS 31 23.325 -21.135 -1.677 270 HA LYS 31 HA LYS 31 22.402 -22.704 -4.010 271 HB2 LYS 31 HB2 LYS 31 25.021 -21.471 -3.307 272 HB3 LYS 31 HB1 LYS 31 25.045 -23.015 -4.159 273 HG2 LYS 31 HG2 LYS 31 25.060 -21.063 -5.714 274 HG3 LYS 31 HG1 LYS 31 23.651 -22.101 -5.939 275 HD2 LYS 31 HD2 LYS 31 22.193 -20.564 -4.974 276 HD3 LYS 31 HD1 LYS 31 23.469 -19.793 -4.029 277 HE2 LYS 31 HE2 LYS 31 24.157 -18.468 -5.783 278 HE3 LYS 31 HE1 LYS 31 23.696 -19.657 -7.002 279 HZ1 LYS 31 HZ1 LYS 31 22.104 -17.579 -5.740 280 HZ2 LYS 31 HZ2 LYS 31 21.320 -19.065 -5.998 281 HZ3 LYS 31 HZ3 LYS 31 22.005 -18.224 -7.305 282 H LYS 32 HN LYS 32 21.444 -24.309 -2.669 283 HA LYS 32 HA LYS 32 23.427 -26.140 -1.492 284 HB2 LYS 32 HB2 LYS 32 21.548 -24.635 -0.008 285 HB3 LYS 32 HB1 LYS 32 20.963 -26.298 -0.027 286 HG2 LYS 32 HG2 LYS 32 23.173 -27.090 0.730 287 HG3 LYS 32 HG1 LYS 32 23.764 -25.429 0.747 288 HD2 LYS 32 HD2 LYS 32 21.273 -26.041 2.281 289 HD3 LYS 32 HD1 LYS 32 22.813 -26.567 2.958 290 HE2 LYS 32 HE2 LYS 32 23.688 -24.284 2.817 291 HE3 LYS 32 HE1 LYS 32 22.190 -23.738 2.064 292 HZ1 LYS 32 HZ1 LYS 32 22.459 -24.887 4.788 293 HZ2 LYS 32 HZ2 LYS 32 20.996 -24.424 4.062 294 HZ3 LYS 32 HZ3 LYS 32 22.179 -23.256 4.416 Start of MODEL 37 1 H1 LYS 1 HT1 LYS 1 24.311 16.415 2.151 2 H2 LYS 1 HT2 LYS 1 23.779 17.892 1.498 3 H3 LYS 1 HT3 LYS 1 24.866 17.879 2.804 4 HA LYS 1 HA LYS 1 25.973 18.401 0.697 5 HB2 LYS 1 HB2 LYS 1 26.713 16.521 2.678 6 HB3 LYS 1 HB1 LYS 1 27.192 15.821 1.131 7 HG2 LYS 1 HG2 LYS 1 28.388 17.882 0.544 8 HG3 LYS 1 HG1 LYS 1 27.878 18.625 2.061 9 HD2 LYS 1 HD2 LYS 1 29.246 15.990 2.264 10 HD3 LYS 1 HD1 LYS 1 30.246 17.365 1.793 11 HE2 LYS 1 HE2 LYS 1 29.562 18.606 3.770 12 HE3 LYS 1 HE1 LYS 1 28.422 17.337 4.214 13 HZ1 LYS 1 HZ1 LYS 1 30.162 15.845 4.655 14 HZ2 LYS 1 HZ2 LYS 1 30.640 17.307 5.378 15 HZ3 LYS 1 HZ3 LYS 1 31.320 16.825 3.898 16 H LYS 2 HN LYS 2 24.455 15.196 0.846 17 HA LYS 2 HA LYS 2 23.854 15.266 -1.970 18 HB2 LYS 2 HB2 LYS 2 25.082 13.042 -2.360 19 HB3 LYS 2 HB1 LYS 2 26.064 14.506 -2.321 20 HG2 LYS 2 HG2 LYS 2 27.137 13.879 -0.423 21 HG3 LYS 2 HG1 LYS 2 25.655 13.283 0.325 22 HD2 LYS 2 HD2 LYS 2 25.822 11.177 -0.749 23 HD3 LYS 2 HD1 LYS 2 27.001 11.775 -1.917 24 HE2 LYS 2 HE2 LYS 2 27.790 10.342 0.163 25 HE3 LYS 2 HE1 LYS 2 28.752 11.711 -0.395 26 HZ1 LYS 2 HZ1 LYS 2 26.962 11.533 1.937 27 HZ2 LYS 2 HZ2 LYS 2 27.278 13.042 1.223 28 HZ3 LYS 2 HZ3 LYS 2 28.554 12.112 1.850 29 H HIS 3 HN HIS 3 23.993 13.505 1.068 30 HA HIS 3 HA HIS 3 21.282 12.650 0.859 31 HB2 HIS 3 HB2 HIS 3 21.446 10.470 0.184 32 HB3 HIS 3 HB1 HIS 3 22.872 11.075 -0.655 33 HD2 HIS 3 HD2 HIS 3 22.411 7.998 1.036 34 HE1 HIS 3 HE1 HIS 3 25.824 9.439 3.052 35 HE2 HIS 3 HE2 HIS 3 24.399 7.386 2.615 36 H THR 4 HN THR 4 21.528 10.332 2.544 37 HA THR 4 HA THR 4 21.865 11.628 5.073 38 HB THR 4 HB THR 4 20.225 9.938 5.072 39 HG1 THR 4 HG1 THR 4 21.026 9.369 6.908 40 HG21 THR 4 HG21 THR 4 20.826 8.748 3.047 41 HG22 THR 4 HG22 THR 4 20.744 7.585 4.367 42 HG23 THR 4 HG23 THR 4 22.307 8.148 3.788 43 H ILE 5 HN ILE 5 23.149 8.531 5.344 44 HA ILE 5 HA ILE 5 25.927 9.563 5.365 45 HB ILE 5 HB ILE 5 26.214 7.878 7.285 46 HG12 ILE 5 HG12 ILE 5 23.411 8.361 8.045 47 HG13 ILE 5 HG11 ILE 5 23.604 7.265 6.675 48 HG21 ILE 5 HG21 ILE 5 24.917 10.560 7.320 49 HG22 ILE 5 HG22 ILE 5 26.454 10.047 8.015 50 HG23 ILE 5 HG23 ILE 5 24.941 9.658 8.836 51 HD11 ILE 5 HD11 ILE 5 24.960 5.769 7.920 52 HD12 ILE 5 HD12 ILE 5 23.642 6.198 9.012 53 HD13 ILE 5 HD13 ILE 5 25.226 6.952 9.200 54 H TRP 6 HN TRP 6 23.721 6.996 4.579 55 HA TRP 6 HA TRP 6 25.220 4.762 4.248 56 HB2 TRP 6 HB2 TRP 6 22.906 5.899 2.943 57 HB3 TRP 6 HB1 TRP 6 23.891 4.998 1.791 58 HD1 TRP 6 HD1 TRP 6 22.599 2.799 1.591 59 HE1 TRP 6 HE1 TRP 6 21.895 0.943 3.229 60 HE3 TRP 6 HE3 TRP 6 23.794 5.039 6.017 61 HZ2 TRP 6 HZ2 TRP 6 21.847 0.471 6.044 62 HZ3 TRP 6 HZ3 TRP 6 23.411 3.866 8.163 63 HH2 TRP 6 HH2 TRP 6 22.439 1.584 8.185 64 H GLU 7 HN GLU 7 24.863 6.908 1.432 65 HA GLU 7 HA GLU 7 26.938 5.953 -0.066 66 HB2 GLU 7 HB2 GLU 7 26.000 8.809 0.203 67 HB3 GLU 7 HB1 GLU 7 27.097 8.247 -1.053 68 HG2 GLU 7 HG2 GLU 7 25.361 6.549 -1.709 69 HG3 GLU 7 HG1 GLU 7 24.258 7.314 -0.565 70 H VAL 8 HN VAL 8 27.245 7.544 2.964 71 HA VAL 8 HA VAL 8 30.030 8.282 2.412 72 HB VAL 8 HB VAL 8 28.476 8.766 4.961 73 HG11 VAL 8 HG11 VAL 8 30.427 9.510 5.771 74 HG12 VAL 8 HG12 VAL 8 30.589 10.615 4.406 75 HG13 VAL 8 HG13 VAL 8 31.229 8.975 4.294 76 HG21 VAL 8 HG21 VAL 8 27.575 10.626 4.027 77 HG22 VAL 8 HG22 VAL 8 28.027 9.942 2.465 78 HG23 VAL 8 HG23 VAL 8 29.106 11.070 3.279 79 H ILE 9 HN ILE 9 28.119 5.992 4.285 80 HA ILE 9 HA ILE 9 30.628 4.683 5.127 81 HB ILE 9 HB ILE 9 29.707 5.296 7.144 82 HG12 ILE 9 HG12 ILE 9 29.657 2.630 6.671 83 HG13 ILE 9 HG11 ILE 9 29.237 3.346 8.214 84 HG21 ILE 9 HG21 ILE 9 27.776 6.415 6.438 85 HG22 ILE 9 HG22 ILE 9 27.208 5.202 7.573 86 HG23 ILE 9 HG23 ILE 9 27.023 4.941 5.836 87 HD11 ILE 9 HD11 ILE 9 26.909 3.172 7.806 88 HD12 ILE 9 HD12 ILE 9 27.578 1.637 7.257 89 HD13 ILE 9 HD13 ILE 9 27.143 2.874 6.087 90 H ALA 10 HN ALA 10 27.278 4.166 4.095 91 HA ALA 10 HA ALA 10 27.549 1.344 3.753 92 HB1 ALA 10 HB1 ALA 10 25.602 3.259 2.448 93 HB2 ALA 10 HB2 ALA 10 25.357 2.446 3.995 94 HB3 ALA 10 HB3 ALA 10 25.445 1.504 2.508 95 H GLY 11 HN GLY 11 27.105 3.844 1.234 96 HA2 GLY 11 HA2 GLY 11 27.884 2.320 -0.945 97 HA3 GLY 11 HA1 GLY 11 28.086 4.070 -0.845 98 H LEU 12 HN LEU 12 29.696 3.332 1.717 99 HA LEU 12 HA LEU 12 32.248 3.039 0.302 100 HB2 LEU 12 HB2 LEU 12 31.788 5.031 1.835 101 HB3 LEU 12 HB1 LEU 12 31.877 3.884 3.173 102 HG LEU 12 HG LEU 12 34.129 3.182 1.896 103 HD11 LEU 12 HD11 LEU 12 33.765 4.855 0.096 104 HD12 LEU 12 HD12 LEU 12 35.245 5.175 0.998 105 HD13 LEU 12 HD13 LEU 12 33.802 6.141 1.305 106 HD21 LEU 12 HD21 LEU 12 34.078 3.842 4.223 107 HD22 LEU 12 HD22 LEU 12 33.732 5.518 3.791 108 HD23 LEU 12 HD23 LEU 12 35.309 4.820 3.422 109 H VAL 13 HN VAL 13 30.153 1.551 2.653 110 HA VAL 13 HA VAL 13 32.167 -0.576 3.097 111 HB VAL 13 HB VAL 13 29.872 0.264 4.881 112 HG11 VAL 13 HG11 VAL 13 31.545 -2.145 4.728 113 HG12 VAL 13 HG12 VAL 13 30.029 -1.882 5.589 114 HG13 VAL 13 HG13 VAL 13 31.555 -1.383 6.318 115 HG21 VAL 13 HG21 VAL 13 31.495 1.222 6.300 116 HG22 VAL 13 HG22 VAL 13 32.047 1.692 4.693 117 HG23 VAL 13 HG23 VAL 13 32.816 0.344 5.529 118 H ALA 14 HN ALA 14 28.629 -0.081 2.996 119 HA ALA 14 HA ALA 14 27.761 -2.658 2.733 120 HB1 ALA 14 HB1 ALA 14 26.774 -0.284 1.129 121 HB2 ALA 14 HB2 ALA 14 26.245 -0.719 2.754 122 HB3 ALA 14 HB3 ALA 14 25.886 -1.784 1.395 123 H LEU 15 HN LEU 15 28.970 -0.580 0.101 124 HA LEU 15 HA LEU 15 28.713 -2.538 -1.929 125 HB2 LEU 15 HB2 LEU 15 29.009 -0.105 -2.373 126 HB3 LEU 15 HB1 LEU 15 30.666 -0.221 -1.782 127 HG LEU 15 HG LEU 15 31.166 -1.893 -3.550 128 HD11 LEU 15 HD11 LEU 15 28.240 -1.536 -4.050 129 HD12 LEU 15 HD12 LEU 15 29.229 -2.990 -4.170 130 HD13 LEU 15 HD13 LEU 15 29.287 -1.777 -5.450 131 HD21 LEU 15 HD21 LEU 15 31.780 -0.130 -4.809 132 HD22 LEU 15 HD22 LEU 15 30.702 0.889 -3.855 133 HD23 LEU 15 HD23 LEU 15 30.111 0.115 -5.327 134 H LEU 16 HN LEU 16 31.154 -1.842 0.468 135 HA LEU 16 HA LEU 16 32.997 -3.811 -0.678 136 HB2 LEU 16 HB2 LEU 16 33.403 -2.209 1.845 137 HB3 LEU 16 HB1 LEU 16 34.626 -2.960 0.819 138 HG LEU 16 HG LEU 16 32.856 -0.607 0.104 139 HD11 LEU 16 HD11 LEU 16 34.829 0.690 0.169 140 HD12 LEU 16 HD12 LEU 16 35.870 -0.731 0.112 141 HD13 LEU 16 HD13 LEU 16 34.974 -0.354 1.582 142 HD21 LEU 16 HD21 LEU 16 33.050 -1.812 -1.914 143 HD22 LEU 16 HD22 LEU 16 34.688 -2.353 -1.539 144 HD23 LEU 16 HD23 LEU 16 34.394 -0.673 -1.991 145 H THR 17 HN THR 17 30.306 -4.021 1.072 146 HA THR 17 HA THR 17 31.321 -6.270 2.698 147 HB THR 17 HB THR 17 29.469 -4.051 3.445 148 HG1 THR 17 HG1 THR 17 30.840 -3.902 5.050 149 HG21 THR 17 HG21 THR 17 28.793 -5.602 5.402 150 HG22 THR 17 HG22 THR 17 29.290 -6.923 4.344 151 HG23 THR 17 HG23 THR 17 27.985 -5.842 3.853 152 H PHE 18 HN PHE 18 28.241 -4.897 1.526 153 HA PHE 18 HA PHE 18 26.621 -7.063 1.513 154 HB2 PHE 18 HB2 PHE 18 26.290 -4.651 0.516 155 HB3 PHE 18 HB1 PHE 18 26.713 -5.440 -1.005 156 HD1 PHE 18 HD1 PHE 18 24.465 -5.805 1.968 157 HD2 PHE 18 HD2 PHE 18 25.076 -6.621 -2.205 158 HE1 PHE 18 HE1 PHE 18 22.168 -6.728 1.812 159 HE2 PHE 18 HE2 PHE 18 22.780 -7.545 -2.361 160 HZ PHE 18 HZ PHE 18 21.325 -7.598 -0.353 161 H LEU 19 HN LEU 19 28.967 -6.303 -1.064 162 HA LEU 19 HA LEU 19 28.458 -8.712 -2.528 163 HB2 LEU 19 HB2 LEU 19 30.576 -6.579 -2.624 164 HB3 LEU 19 HB1 LEU 19 30.745 -8.045 -3.586 165 HG LEU 19 HG LEU 19 29.625 -6.124 -4.793 166 HD11 LEU 19 HD11 LEU 19 28.974 -8.855 -4.802 167 HD12 LEU 19 HD12 LEU 19 28.574 -7.677 -6.048 168 HD13 LEU 19 HD13 LEU 19 27.421 -8.023 -4.762 169 HD21 LEU 19 HD21 LEU 19 28.387 -5.412 -2.671 170 HD22 LEU 19 HD22 LEU 19 27.275 -6.741 -2.995 171 HD23 LEU 19 HD23 LEU 19 27.436 -5.425 -4.156 172 H ALA 20 HN ALA 20 31.145 -7.655 -0.429 173 HA ALA 20 HA ALA 20 32.772 -9.855 -0.520 174 HB1 ALA 20 HB1 ALA 20 32.478 -7.632 1.175 175 HB2 ALA 20 HB2 ALA 20 33.823 -8.770 1.135 176 HB3 ALA 20 HB3 ALA 20 32.472 -9.042 2.233 177 H PHE 21 HN PHE 21 30.046 -9.428 1.752 178 HA PHE 21 HA PHE 21 30.200 -12.188 2.600 179 HB2 PHE 21 HB2 PHE 21 28.268 -9.948 3.218 180 HB3 PHE 21 HB1 PHE 21 28.122 -11.570 3.894 181 HD1 PHE 21 HD1 PHE 21 30.539 -8.737 3.529 182 HD2 PHE 21 HD2 PHE 21 29.339 -12.172 5.811 183 HE1 PHE 21 HE1 PHE 21 32.219 -8.172 5.262 184 HE2 PHE 21 HE2 PHE 21 31.019 -11.607 7.546 185 HZ PHE 21 HZ PHE 21 32.459 -9.606 7.271 186 H GLY 22 HN GLY 22 28.139 -10.225 0.510 187 HA2 GLY 22 HA2 GLY 22 26.038 -12.000 0.067 188 HA3 GLY 22 HA1 GLY 22 26.612 -10.821 -1.107 189 H PHE 23 HN PHE 23 29.136 -11.728 -1.668 190 HA PHE 23 HA PHE 23 28.728 -13.663 -3.608 191 HB2 PHE 23 HB2 PHE 23 31.013 -12.310 -2.432 192 HB3 PHE 23 HB1 PHE 23 31.396 -13.978 -2.858 193 HD1 PHE 23 HD2 PHE 23 30.300 -14.745 -5.204 194 HD2 PHE 23 HD1 PHE 23 31.299 -10.712 -4.110 195 HE1 PHE 23 HE2 PHE 23 30.408 -14.119 -7.601 196 HE2 PHE 23 HE1 PHE 23 31.406 -10.088 -6.506 197 HZ PHE 23 HZ PHE 23 30.960 -11.793 -8.252 198 H TRP 24 HN TRP 24 28.939 -14.027 -0.235 199 HA TRP 24 HA TRP 24 29.484 -16.911 -0.471 200 HB2 TRP 24 HB2 TRP 24 30.999 -15.892 1.072 201 HB3 TRP 24 HB1 TRP 24 29.690 -15.012 1.866 202 HD1 TRP 24 HD1 TRP 24 30.329 -18.728 1.004 203 HE1 TRP 24 HE1 TRP 24 29.699 -20.150 3.064 204 HE3 TRP 24 HE3 TRP 24 28.858 -15.040 4.191 205 HZ2 TRP 24 HZ2 TRP 24 28.703 -19.765 5.713 206 HZ3 TRP 24 HZ3 TRP 24 28.069 -15.586 6.479 207 HH2 TRP 24 HH2 TRP 24 27.990 -17.942 7.242 208 H LEU 25 HN LEU 25 27.690 -14.964 1.883 209 HA LEU 25 HA LEU 25 25.869 -16.483 2.944 210 HB2 LEU 25 HB2 LEU 25 25.598 -13.783 1.769 211 HB3 LEU 25 HB1 LEU 25 24.092 -14.600 2.189 212 HG LEU 25 HG LEU 25 26.402 -14.534 4.125 213 HD11 LEU 25 HD11 LEU 25 24.206 -12.454 3.869 214 HD12 LEU 25 HD12 LEU 25 25.903 -12.193 3.464 215 HD13 LEU 25 HD13 LEU 25 25.434 -12.515 5.133 216 HD21 LEU 25 HD21 LEU 25 24.893 -15.389 5.603 217 HD22 LEU 25 HD22 LEU 25 23.986 -15.839 4.160 218 HD23 LEU 25 HD23 LEU 25 23.591 -14.351 5.022 219 H PHE 26 HN PHE 26 25.231 -15.266 -0.357 220 HA PHE 26 HA PHE 26 23.025 -17.079 -0.717 221 HB2 PHE 26 HB2 PHE 26 24.463 -15.662 -2.946 222 HB3 PHE 26 HB1 PHE 26 22.752 -16.070 -2.819 223 HD1 PHE 26 HD1 PHE 26 21.767 -15.139 -0.382 224 HD2 PHE 26 HD2 PHE 26 24.858 -13.367 -2.784 225 HE1 PHE 26 HE1 PHE 26 21.305 -12.935 0.650 226 HE2 PHE 26 HE2 PHE 26 24.394 -11.162 -1.751 227 HZ PHE 26 HZ PHE 26 22.623 -10.948 -0.032 228 H LYS 27 HN LYS 27 26.087 -16.771 -2.521 229 HA LYS 27 HA LYS 27 25.986 -19.118 -3.934 230 HB2 LYS 27 HB2 LYS 27 28.546 -18.095 -2.710 231 HB3 LYS 27 HB1 LYS 27 28.335 -18.937 -4.244 232 HG2 LYS 27 HG2 LYS 27 27.400 -16.135 -3.558 233 HG3 LYS 27 HG1 LYS 27 28.627 -16.589 -4.739 234 HD2 LYS 27 HD2 LYS 27 26.722 -17.973 -5.845 235 HD3 LYS 27 HD1 LYS 27 25.643 -16.962 -4.883 236 HE2 LYS 27 HE2 LYS 27 27.290 -15.063 -5.915 237 HE3 LYS 27 HE1 LYS 27 27.318 -16.246 -7.223 238 HZ1 LYS 27 HZ1 LYS 27 25.346 -15.494 -7.840 239 HZ2 LYS 27 HZ2 LYS 27 25.258 -14.458 -6.496 240 HZ3 LYS 27 HZ3 LYS 27 24.688 -16.055 -6.380 241 H TYR 28 HN TYR 28 26.100 -18.883 -0.557 242 HA TYR 28 HA TYR 28 27.125 -21.654 -0.323 243 HB2 TYR 28 HB2 TYR 28 28.490 -20.766 1.224 244 HB3 TYR 28 HB1 TYR 28 27.588 -19.256 1.275 245 HD1 TYR 28 HD1 TYR 28 27.227 -22.845 2.298 246 HD2 TYR 28 HD2 TYR 28 26.405 -18.731 3.216 247 HE1 TYR 28 HE1 TYR 28 26.202 -23.528 4.453 248 HE2 TYR 28 HE2 TYR 28 25.381 -19.411 5.366 249 HH TYR 28 HH TYR 28 24.219 -21.682 6.210 250 H LEU 29 HN LEU 29 24.740 -19.407 1.102 251 HA LEU 29 HA LEU 29 23.229 -21.638 2.192 252 HB2 LEU 29 HB2 LEU 29 23.587 -19.127 3.090 253 HB3 LEU 29 HB1 LEU 29 22.083 -18.900 2.197 254 HG LEU 29 HG LEU 29 22.575 -20.989 4.339 255 HD11 LEU 29 HD11 LEU 29 22.324 -18.838 5.369 256 HD12 LEU 29 HD12 LEU 29 20.758 -19.642 5.505 257 HD13 LEU 29 HD13 LEU 29 21.009 -18.399 4.277 258 HD21 LEU 29 HD21 LEU 29 21.015 -21.990 2.909 259 HD22 LEU 29 HD22 LEU 29 20.311 -20.443 2.434 260 HD23 LEU 29 HD23 LEU 29 19.967 -21.117 4.029 261 H GLN 30 HN GLN 30 22.822 -19.164 -0.316 262 HA GLN 30 HA GLN 30 20.209 -20.069 -1.084 263 HB2 GLN 30 HB2 GLN 30 20.910 -17.760 -1.467 264 HB3 GLN 30 HB1 GLN 30 22.198 -18.311 -2.533 265 HG2 GLN 30 HG2 GLN 30 20.786 -18.715 -4.263 266 HG3 GLN 30 HG1 GLN 30 19.513 -19.330 -3.211 267 HE21 GLN 30 HE21 GLN 30 20.946 -16.170 -2.560 268 HE22 GLN 30 HE22 GLN 30 19.597 -15.260 -3.042 269 H LYS 31 HN LYS 31 23.361 -21.201 -1.641 270 HA LYS 31 HA LYS 31 22.445 -22.805 -3.955 271 HB2 LYS 31 HB2 LYS 31 25.046 -21.456 -3.376 272 HB3 LYS 31 HB1 LYS 31 25.077 -22.986 -4.250 273 HG2 LYS 31 HG2 LYS 31 24.952 -21.078 -5.810 274 HG3 LYS 31 HG1 LYS 31 23.504 -22.078 -5.915 275 HD2 LYS 31 HD2 LYS 31 22.159 -20.467 -4.993 276 HD3 LYS 31 HD1 LYS 31 23.435 -19.849 -3.945 277 HE2 LYS 31 HE2 LYS 31 24.516 -18.772 -5.874 278 HE3 LYS 31 HE1 LYS 31 23.268 -19.412 -6.942 279 HZ1 LYS 31 HZ1 LYS 31 21.666 -18.045 -6.037 280 HZ2 LYS 31 HZ2 LYS 31 23.032 -17.033 -6.028 281 HZ3 LYS 31 HZ3 LYS 31 22.525 -17.794 -4.596 282 H LYS 32 HN LYS 32 21.594 -24.125 -2.058 283 HA LYS 32 HA LYS 32 23.516 -26.243 -1.535 284 HB2 LYS 32 HB2 LYS 32 23.084 -26.253 0.898 285 HB3 LYS 32 HB1 LYS 32 23.879 -24.767 0.380 286 HG2 LYS 32 HG2 LYS 32 22.207 -23.699 1.473 287 HG3 LYS 32 HG1 LYS 32 21.205 -24.143 0.090 288 HD2 LYS 32 HD2 LYS 32 20.562 -26.239 1.228 289 HD3 LYS 32 HD1 LYS 32 21.553 -25.787 2.615 290 HE2 LYS 32 HE2 LYS 32 19.957 -24.411 3.419 291 HE3 LYS 32 HE1 LYS 32 19.730 -23.645 1.847 292 HZ1 LYS 32 HZ1 LYS 32 17.748 -24.844 2.680 293 HZ2 LYS 32 HZ2 LYS 32 18.621 -26.299 2.578 294 HZ3 LYS 32 HZ3 LYS 32 18.291 -25.401 1.173 Start of MODEL 38 1 H1 LYS 1 HT1 LYS 1 25.163 17.329 -0.582 2 H2 LYS 1 HT2 LYS 1 26.448 17.347 0.528 3 H3 LYS 1 HT3 LYS 1 25.216 18.512 0.632 4 HA LYS 1 HA LYS 1 25.330 16.190 2.040 5 HB2 LYS 1 HB2 LYS 1 22.896 16.765 2.528 6 HB3 LYS 1 HB1 LYS 1 24.049 18.077 2.770 7 HG2 LYS 1 HG2 LYS 1 23.443 19.126 0.720 8 HG3 LYS 1 HG1 LYS 1 22.575 17.697 0.159 9 HD2 LYS 1 HD2 LYS 1 21.609 18.735 2.737 10 HD3 LYS 1 HD1 LYS 1 21.398 19.856 1.391 11 HE2 LYS 1 HE2 LYS 1 20.247 18.123 0.093 12 HE3 LYS 1 HE1 LYS 1 20.504 16.958 1.393 13 HZ1 LYS 1 HZ1 LYS 1 18.587 17.661 2.224 14 HZ2 LYS 1 HZ2 LYS 1 18.500 18.967 1.139 15 HZ3 LYS 1 HZ3 LYS 1 19.349 19.128 2.603 16 H LYS 2 HN LYS 2 25.765 15.078 -0.366 17 HA LYS 2 HA LYS 2 23.574 14.150 -1.839 18 HB2 LYS 2 HB2 LYS 2 25.926 13.902 -2.561 19 HB3 LYS 2 HB1 LYS 2 26.180 12.708 -1.287 20 HG2 LYS 2 HG2 LYS 2 23.823 12.034 -2.823 21 HG3 LYS 2 HG1 LYS 2 25.210 12.232 -3.894 22 HD2 LYS 2 HD2 LYS 2 26.522 10.695 -2.441 23 HD3 LYS 2 HD1 LYS 2 25.090 10.453 -1.438 24 HE2 LYS 2 HE2 LYS 2 25.424 8.657 -3.166 25 HE3 LYS 2 HE1 LYS 2 23.877 9.490 -3.303 26 HZ1 LYS 2 HZ1 LYS 2 25.990 10.748 -4.785 27 HZ2 LYS 2 HZ2 LYS 2 24.422 10.325 -5.279 28 HZ3 LYS 2 HZ3 LYS 2 25.666 9.168 -5.306 29 H HIS 3 HN HIS 3 21.926 12.903 -1.271 30 HA HIS 3 HA HIS 3 20.585 11.589 0.078 31 HB2 HIS 3 HB2 HIS 3 21.015 9.465 -0.534 32 HB3 HIS 3 HB1 HIS 3 22.416 10.130 -1.372 33 HD2 HIS 3 HD2 HIS 3 22.000 7.245 0.767 34 HE1 HIS 3 HE1 HIS 3 25.480 9.004 2.380 35 HE2 HIS 3 HE2 HIS 3 24.063 6.896 2.326 36 H THR 4 HN THR 4 21.110 9.666 2.001 37 HA THR 4 HA THR 4 21.594 11.304 4.294 38 HB THR 4 HB THR 4 20.016 9.578 4.613 39 HG1 THR 4 HG1 THR 4 20.880 9.223 6.468 40 HG21 THR 4 HG21 THR 4 20.609 7.163 4.244 41 HG22 THR 4 HG22 THR 4 22.110 7.695 3.495 42 HG23 THR 4 HG23 THR 4 20.565 8.118 2.763 43 H ILE 5 HN ILE 5 22.991 8.346 4.966 44 HA ILE 5 HA ILE 5 25.729 9.434 4.651 45 HB ILE 5 HB ILE 5 26.181 8.027 6.756 46 HG12 ILE 5 HG12 ILE 5 23.399 8.496 7.597 47 HG13 ILE 5 HG11 ILE 5 23.574 7.244 6.367 48 HG21 ILE 5 HG21 ILE 5 24.482 10.532 6.795 49 HG22 ILE 5 HG22 ILE 5 26.244 10.440 6.829 50 HG23 ILE 5 HG23 ILE 5 25.305 9.888 8.217 51 HD11 ILE 5 HD11 ILE 5 23.770 6.481 8.810 52 HD12 ILE 5 HD12 ILE 5 25.324 7.317 8.823 53 HD13 ILE 5 HD13 ILE 5 25.055 5.971 7.716 54 H TRP 6 HN TRP 6 23.584 6.728 4.308 55 HA TRP 6 HA TRP 6 25.158 4.519 4.188 56 HB2 TRP 6 HB2 TRP 6 22.717 5.383 2.912 57 HB3 TRP 6 HB1 TRP 6 23.670 4.390 1.811 58 HD1 TRP 6 HD1 TRP 6 22.499 2.123 1.967 59 HE1 TRP 6 HE1 TRP 6 21.992 0.459 3.862 60 HE3 TRP 6 HE3 TRP 6 23.822 4.958 5.997 61 HZ2 TRP 6 HZ2 TRP 6 22.132 0.344 6.711 62 HZ3 TRP 6 HZ3 TRP 6 23.626 4.048 8.291 63 HH2 TRP 6 HH2 TRP 6 22.782 1.745 8.656 64 H GLU 7 HN GLU 7 24.577 6.348 1.175 65 HA GLU 7 HA GLU 7 26.604 5.225 -0.307 66 HB2 GLU 7 HB2 GLU 7 25.458 8.007 -0.403 67 HB3 GLU 7 HB1 GLU 7 26.620 7.411 -1.583 68 HG2 GLU 7 HG2 GLU 7 24.415 5.543 -1.092 69 HG3 GLU 7 HG1 GLU 7 23.878 7.093 -1.738 70 H VAL 8 HN VAL 8 27.024 7.117 2.482 71 HA VAL 8 HA VAL 8 29.723 7.946 1.660 72 HB VAL 8 HB VAL 8 28.290 8.665 4.224 73 HG11 VAL 8 HG11 VAL 8 30.025 10.446 4.276 74 HG12 VAL 8 HG12 VAL 8 30.770 9.725 2.850 75 HG13 VAL 8 HG13 VAL 8 30.717 8.827 4.367 76 HG21 VAL 8 HG21 VAL 8 28.711 10.776 2.248 77 HG22 VAL 8 HG22 VAL 8 27.245 10.355 3.130 78 HG23 VAL 8 HG23 VAL 8 27.648 9.510 1.637 79 H ILE 9 HN ILE 9 28.025 5.854 3.929 80 HA ILE 9 HA ILE 9 30.630 4.750 4.775 81 HB ILE 9 HB ILE 9 29.777 5.547 6.754 82 HG12 ILE 9 HG12 ILE 9 29.793 2.842 6.592 83 HG13 ILE 9 HG11 ILE 9 29.418 3.721 8.059 84 HG21 ILE 9 HG21 ILE 9 27.302 5.433 7.308 85 HG22 ILE 9 HG22 ILE 9 27.050 4.970 5.623 86 HG23 ILE 9 HG23 ILE 9 27.780 6.525 6.015 87 HD11 ILE 9 HD11 ILE 9 27.774 1.870 7.387 88 HD12 ILE 9 HD12 ILE 9 27.245 2.953 6.107 89 HD13 ILE 9 HD13 ILE 9 27.081 3.438 7.788 90 H ALA 10 HN ALA 10 27.264 3.966 3.992 91 HA ALA 10 HA ALA 10 27.668 1.139 3.949 92 HB1 ALA 10 HB1 ALA 10 25.493 1.051 2.848 93 HB2 ALA 10 HB2 ALA 10 25.561 2.783 2.526 94 HB3 ALA 10 HB3 ALA 10 25.435 2.199 4.186 95 H GLY 11 HN GLY 11 26.978 3.326 1.202 96 HA2 GLY 11 HA2 GLY 11 27.719 1.597 -0.835 97 HA3 GLY 11 HA1 GLY 11 27.834 3.353 -0.943 98 H LEU 12 HN LEU 12 29.606 2.973 1.596 99 HA LEU 12 HA LEU 12 32.097 2.646 0.080 100 HB2 LEU 12 HB2 LEU 12 31.613 4.781 1.395 101 HB3 LEU 12 HB1 LEU 12 31.820 3.806 2.851 102 HG LEU 12 HG LEU 12 34.031 3.081 1.414 103 HD11 LEU 12 HD11 LEU 12 33.342 4.883 -0.269 104 HD12 LEU 12 HD12 LEU 12 34.990 4.991 0.351 105 HD13 LEU 12 HD13 LEU 12 33.737 6.060 0.983 106 HD21 LEU 12 HD21 LEU 12 35.254 4.621 2.931 107 HD22 LEU 12 HD22 LEU 12 33.980 3.746 3.781 108 HD23 LEU 12 HD23 LEU 12 33.735 5.429 3.315 109 H VAL 13 HN VAL 13 30.196 1.321 2.679 110 HA VAL 13 HA VAL 13 32.379 -0.580 3.313 111 HB VAL 13 HB VAL 13 30.001 0.273 4.975 112 HG11 VAL 13 HG11 VAL 13 31.949 -1.991 5.205 113 HG12 VAL 13 HG12 VAL 13 30.232 -1.947 5.605 114 HG13 VAL 13 HG13 VAL 13 31.407 -1.187 6.678 115 HG21 VAL 13 HG21 VAL 13 32.127 1.746 4.736 116 HG22 VAL 13 HG22 VAL 13 32.936 0.475 5.654 117 HG23 VAL 13 HG23 VAL 13 31.584 1.353 6.367 118 H ALA 14 HN ALA 14 28.820 -0.428 3.035 119 HA ALA 14 HA ALA 14 28.185 -3.083 3.075 120 HB1 ALA 14 HB1 ALA 14 27.099 -0.855 1.358 121 HB2 ALA 14 HB2 ALA 14 26.393 -1.563 2.810 122 HB3 ALA 14 HB3 ALA 14 26.421 -2.481 1.304 123 H LEU 15 HN LEU 15 29.327 -1.259 0.235 124 HA LEU 15 HA LEU 15 29.350 -3.449 -1.551 125 HB2 LEU 15 HB2 LEU 15 31.149 -1.012 -1.576 126 HB3 LEU 15 HB1 LEU 15 30.776 -2.056 -2.950 127 HG LEU 15 HG LEU 15 28.756 -0.422 -1.391 128 HD11 LEU 15 HD11 LEU 15 30.540 0.599 -3.144 129 HD12 LEU 15 HD12 LEU 15 28.889 1.206 -3.008 130 HD13 LEU 15 HD13 LEU 15 29.303 0.054 -4.277 131 HD21 LEU 15 HD21 LEU 15 27.492 -2.184 -2.220 132 HD22 LEU 15 HD22 LEU 15 28.563 -2.439 -3.601 133 HD23 LEU 15 HD23 LEU 15 27.437 -1.081 -3.597 134 H LEU 16 HN LEU 16 31.569 -2.304 0.865 135 HA LEU 16 HA LEU 16 33.600 -4.267 0.085 136 HB2 LEU 16 HB2 LEU 16 33.767 -2.298 2.358 137 HB3 LEU 16 HB1 LEU 16 35.089 -3.098 1.508 138 HG LEU 16 HG LEU 16 33.207 -1.013 0.372 139 HD11 LEU 16 HD11 LEU 16 35.063 0.437 0.354 140 HD12 LEU 16 HD12 LEU 16 36.215 -0.888 0.523 141 HD13 LEU 16 HD13 LEU 16 35.225 -0.399 1.899 142 HD21 LEU 16 HD21 LEU 16 34.863 -1.261 -1.614 143 HD22 LEU 16 HD22 LEU 16 33.598 -2.477 -1.431 144 HD23 LEU 16 HD23 LEU 16 35.245 -2.830 -0.904 145 H THR 17 HN THR 17 30.839 -4.447 1.674 146 HA THR 17 HA THR 17 31.832 -6.519 3.499 147 HB THR 17 HB THR 17 30.066 -4.200 4.289 148 HG1 THR 17 HG1 THR 17 32.304 -5.263 5.625 149 HG21 THR 17 HG21 THR 17 30.037 -5.512 6.523 150 HG22 THR 17 HG22 THR 17 30.450 -6.916 5.537 151 HG23 THR 17 HG23 THR 17 28.946 -6.040 5.242 152 H PHE 18 HN PHE 18 28.676 -4.958 2.997 153 HA PHE 18 HA PHE 18 27.079 -7.178 3.109 154 HB2 PHE 18 HB2 PHE 18 26.490 -4.658 2.740 155 HB3 PHE 18 HB1 PHE 18 26.512 -5.089 1.031 156 HD1 PHE 18 HD2 PHE 18 25.197 -6.410 4.290 157 HD2 PHE 18 HD1 PHE 18 24.522 -5.870 0.081 158 HE1 PHE 18 HE2 PHE 18 22.940 -7.411 4.523 159 HE2 PHE 18 HE1 PHE 18 22.266 -6.870 0.315 160 HZ PHE 18 HZ PHE 18 21.474 -7.641 2.535 161 H LEU 19 HN LEU 19 28.650 -5.866 0.193 162 HA LEU 19 HA LEU 19 27.729 -7.989 -1.505 163 HB2 LEU 19 HB2 LEU 19 29.709 -5.747 -1.779 164 HB3 LEU 19 HB1 LEU 19 29.639 -7.012 -3.001 165 HG LEU 19 HG LEU 19 28.195 -4.989 -3.491 166 HD11 LEU 19 HD11 LEU 19 26.909 -6.382 -4.710 167 HD12 LEU 19 HD12 LEU 19 26.116 -7.002 -3.264 168 HD13 LEU 19 HD13 LEU 19 27.621 -7.728 -3.822 169 HD21 LEU 19 HD21 LEU 19 27.555 -4.791 -1.008 170 HD22 LEU 19 HD22 LEU 19 26.394 -6.078 -1.325 171 HD23 LEU 19 HD23 LEU 19 26.267 -4.545 -2.185 172 H ALA 20 HN ALA 20 30.900 -7.176 -0.088 173 HA ALA 20 HA ALA 20 32.459 -9.203 -1.039 174 HB1 ALA 20 HB1 ALA 20 33.307 -9.166 1.537 175 HB2 ALA 20 HB2 ALA 20 32.392 -7.658 1.481 176 HB3 ALA 20 HB3 ALA 20 33.722 -7.925 0.354 177 H PHE 21 HN PHE 21 30.460 -9.424 1.918 178 HA PHE 21 HA PHE 21 30.871 -12.287 2.074 179 HB2 PHE 21 HB2 PHE 21 29.203 -10.353 3.691 180 HB3 PHE 21 HB1 PHE 21 29.264 -12.087 4.011 181 HD1 PHE 21 HD2 PHE 21 31.547 -9.162 3.460 182 HD2 PHE 21 HD1 PHE 21 30.910 -12.915 5.452 183 HE1 PHE 21 HE2 PHE 21 33.662 -8.853 4.718 184 HE2 PHE 21 HE1 PHE 21 33.025 -12.604 6.709 185 HZ PHE 21 HZ PHE 21 34.400 -10.574 6.342 186 H GLY 22 HN GLY 22 28.292 -10.067 1.128 187 HA2 GLY 22 HA2 GLY 22 26.148 -11.834 0.935 188 HA3 GLY 22 HA1 GLY 22 26.365 -10.415 -0.083 189 H PHE 23 HN PHE 23 28.630 -11.057 -1.493 190 HA PHE 23 HA PHE 23 27.678 -12.585 -3.605 191 HB2 PHE 23 HB2 PHE 23 30.204 -11.361 -2.857 192 HB3 PHE 23 HB1 PHE 23 30.450 -12.886 -3.706 193 HD1 PHE 23 HD2 PHE 23 28.729 -13.236 -5.760 194 HD2 PHE 23 HD1 PHE 23 30.008 -9.449 -4.182 195 HE1 PHE 23 HE2 PHE 23 28.152 -12.144 -7.911 196 HE2 PHE 23 HE1 PHE 23 29.431 -8.358 -6.331 197 HZ PHE 23 HZ PHE 23 28.501 -9.707 -8.197 198 H TRP 24 HN TRP 24 28.847 -13.599 -0.575 199 HA TRP 24 HA TRP 24 29.294 -16.342 -1.548 200 HB2 TRP 24 HB2 TRP 24 31.185 -15.567 -0.307 201 HB3 TRP 24 HB1 TRP 24 30.157 -14.942 0.984 202 HD1 TRP 24 HD1 TRP 24 30.526 -18.364 -0.781 203 HE1 TRP 24 HE1 TRP 24 30.498 -20.208 1.026 204 HE3 TRP 24 HE3 TRP 24 30.004 -15.487 3.387 205 HZ2 TRP 24 HZ2 TRP 24 30.281 -20.423 3.865 206 HZ3 TRP 24 HZ3 TRP 24 29.888 -16.531 5.637 207 HH2 TRP 24 HH2 TRP 24 30.025 -18.993 5.879 208 H LEU 25 HN LEU 25 28.248 -15.011 1.563 209 HA LEU 25 HA LEU 25 26.795 -16.810 2.750 210 HB2 LEU 25 HB2 LEU 25 26.206 -13.949 2.280 211 HB3 LEU 25 HB1 LEU 25 24.885 -14.920 2.929 212 HG LEU 25 HG LEU 25 27.651 -15.108 4.109 213 HD11 LEU 25 HD11 LEU 25 27.017 -13.380 5.738 214 HD12 LEU 25 HD12 LEU 25 25.485 -13.133 4.897 215 HD13 LEU 25 HD13 LEU 25 27.005 -12.713 4.106 216 HD21 LEU 25 HD21 LEU 25 26.620 -16.306 5.754 217 HD22 LEU 25 HD22 LEU 25 25.344 -16.524 4.557 218 HD23 LEU 25 HD23 LEU 25 25.208 -15.251 5.769 219 H PHE 26 HN PHE 26 25.241 -14.990 0.093 220 HA PHE 26 HA PHE 26 23.021 -16.816 -0.008 221 HB2 PHE 26 HB2 PHE 26 23.769 -14.905 -2.207 222 HB3 PHE 26 HB1 PHE 26 22.164 -15.425 -1.695 223 HD1 PHE 26 HD2 PHE 26 21.924 -15.053 1.063 224 HD2 PHE 26 HD1 PHE 26 24.194 -12.669 -1.697 225 HE1 PHE 26 HE2 PHE 26 21.782 -13.125 2.611 226 HE2 PHE 26 HE1 PHE 26 24.050 -10.740 -0.148 227 HZ PHE 26 HZ PHE 26 22.850 -10.970 2.008 228 H LYS 27 HN LYS 27 25.440 -15.983 -2.494 229 HA LYS 27 HA LYS 27 24.931 -18.003 -4.278 230 HB2 LYS 27 HB2 LYS 27 27.740 -17.106 -3.634 231 HB3 LYS 27 HB1 LYS 27 27.095 -17.632 -5.188 232 HG2 LYS 27 HG2 LYS 27 26.412 -15.082 -3.697 233 HG3 LYS 27 HG1 LYS 27 27.244 -15.223 -5.245 234 HD2 LYS 27 HD2 LYS 27 25.096 -16.452 -6.036 235 HD3 LYS 27 HD1 LYS 27 24.344 -15.730 -4.613 236 HE2 LYS 27 HE2 LYS 27 25.634 -13.564 -5.639 237 HE3 LYS 27 HE1 LYS 27 25.256 -14.445 -7.120 238 HZ1 LYS 27 HZ1 LYS 27 23.393 -13.132 -6.725 239 HZ2 LYS 27 HZ2 LYS 27 23.399 -13.439 -5.054 240 HZ3 LYS 27 HZ3 LYS 27 22.936 -14.659 -6.141 241 H TYR 28 HN TYR 28 26.001 -18.445 -1.096 242 HA TYR 28 HA TYR 28 27.038 -21.148 -1.742 243 HB2 TYR 28 HB2 TYR 28 28.794 -20.518 -0.493 244 HB3 TYR 28 HB1 TYR 28 27.955 -19.096 0.119 245 HD1 TYR 28 HD1 TYR 28 27.884 -22.831 0.443 246 HD2 TYR 28 HD2 TYR 28 27.377 -19.033 2.378 247 HE1 TYR 28 HE1 TYR 28 27.519 -23.984 2.611 248 HE2 TYR 28 HE2 TYR 28 27.011 -20.182 4.544 249 HH TYR 28 HH TYR 28 26.091 -22.858 5.070 250 H LEU 29 HN LEU 29 25.175 -19.366 0.732 251 HA LEU 29 HA LEU 29 24.027 -21.848 1.716 252 HB2 LEU 29 HB2 LEU 29 24.637 -19.548 2.974 253 HB3 LEU 29 HB1 LEU 29 22.940 -19.236 2.608 254 HG LEU 29 HG LEU 29 24.024 -21.676 4.047 255 HD11 LEU 29 HD11 LEU 29 22.632 -20.693 5.932 256 HD12 LEU 29 HD12 LEU 29 22.505 -19.224 4.965 257 HD13 LEU 29 HD13 LEU 29 24.084 -19.781 5.518 258 HD21 LEU 29 HD21 LEU 29 21.438 -21.887 4.464 259 HD22 LEU 29 HD22 LEU 29 22.116 -22.463 2.942 260 HD23 LEU 29 HD23 LEU 29 21.310 -20.896 3.012 261 H GLN 30 HN GLN 30 22.933 -18.950 -0.011 262 HA GLN 30 HA GLN 30 20.205 -19.826 -0.185 263 HB2 GLN 30 HB2 GLN 30 20.776 -17.452 -0.259 264 HB3 GLN 30 HB1 GLN 30 21.706 -17.705 -1.733 265 HG2 GLN 30 HG2 GLN 30 19.857 -17.831 -3.045 266 HG3 GLN 30 HG1 GLN 30 18.934 -18.715 -1.829 267 HE21 GLN 30 HE21 GLN 30 20.506 -15.674 -0.966 268 HE22 GLN 30 HE22 GLN 30 19.078 -14.764 -0.848 269 H LYS 31 HN LYS 31 23.062 -20.647 -1.825 270 HA LYS 31 HA LYS 31 21.516 -21.804 -4.070 271 HB2 LYS 31 HB2 LYS 31 24.181 -20.454 -3.977 272 HB3 LYS 31 HB1 LYS 31 23.952 -21.776 -5.123 273 HG2 LYS 31 HG2 LYS 31 23.395 -19.605 -6.154 274 HG3 LYS 31 HG1 LYS 31 21.973 -20.641 -6.053 275 HD2 LYS 31 HD2 LYS 31 20.955 -19.321 -4.479 276 HD3 LYS 31 HD1 LYS 31 22.480 -18.860 -3.725 277 HE2 LYS 31 HE2 LYS 31 22.974 -17.360 -5.610 278 HE3 LYS 31 HE1 LYS 31 21.471 -17.838 -6.397 279 HZ1 LYS 31 HZ1 LYS 31 20.218 -16.915 -4.606 280 HZ2 LYS 31 HZ2 LYS 31 21.316 -15.733 -5.137 281 HZ3 LYS 31 HZ3 LYS 31 21.619 -16.594 -3.706 282 H LYS 32 HN LYS 32 21.237 -23.523 -2.327 283 HA LYS 32 HA LYS 32 23.223 -25.592 -2.814 284 HB2 LYS 32 HB2 LYS 32 23.499 -26.113 -0.415 285 HB3 LYS 32 HB1 LYS 32 24.118 -24.510 -0.810 286 HG2 LYS 32 HG2 LYS 32 22.827 -23.778 0.899 287 HG3 LYS 32 HG1 LYS 32 21.472 -23.993 -0.211 288 HD2 LYS 32 HD2 LYS 32 21.183 -26.312 0.599 289 HD3 LYS 32 HD1 LYS 32 22.521 -26.078 1.725 290 HE2 LYS 32 HE2 LYS 32 21.191 -25.015 3.203 291 HE3 LYS 32 HE1 LYS 32 20.572 -23.935 1.955 292 HZ1 LYS 32 HZ1 LYS 32 19.658 -26.735 2.124 293 HZ2 LYS 32 HZ2 LYS 32 18.889 -25.405 1.399 294 HZ3 LYS 32 HZ3 LYS 32 18.952 -25.535 3.092 Start of MODEL 39 1 H1 LYS 1 HT1 LYS 1 24.293 17.860 -0.203 2 H2 LYS 1 HT2 LYS 1 24.627 16.453 -1.095 3 H3 LYS 1 HT3 LYS 1 24.079 16.335 0.508 4 HA LYS 1 HA LYS 1 21.932 16.692 -0.021 5 HB2 LYS 1 HB2 LYS 1 21.403 18.055 -2.174 6 HB3 LYS 1 HB1 LYS 1 22.046 18.920 -0.776 7 HG2 LYS 1 HG2 LYS 1 24.263 18.940 -1.707 8 HG3 LYS 1 HG1 LYS 1 23.792 17.837 -3.000 9 HD2 LYS 1 HD2 LYS 1 22.188 19.560 -3.833 10 HD3 LYS 1 HD1 LYS 1 22.791 20.670 -2.604 11 HE2 LYS 1 HE2 LYS 1 25.141 20.056 -3.641 12 HE3 LYS 1 HE1 LYS 1 24.173 19.622 -5.049 13 HZ1 LYS 1 HZ1 LYS 1 24.453 21.809 -5.480 14 HZ2 LYS 1 HZ2 LYS 1 24.640 22.236 -3.845 15 HZ3 LYS 1 HZ3 LYS 1 23.090 21.951 -4.479 16 H LYS 2 HN LYS 2 23.834 14.633 -0.919 17 HA LYS 2 HA LYS 2 22.696 13.794 -3.495 18 HB2 LYS 2 HB2 LYS 2 24.463 11.927 -3.189 19 HB3 LYS 2 HB1 LYS 2 25.032 13.557 -3.551 20 HG2 LYS 2 HG2 LYS 2 25.992 13.811 -1.505 21 HG3 LYS 2 HG1 LYS 2 24.664 12.999 -0.676 22 HD2 LYS 2 HD2 LYS 2 25.520 10.814 -1.409 23 HD3 LYS 2 HD1 LYS 2 26.836 11.611 -2.275 24 HE2 LYS 2 HE2 LYS 2 27.828 11.004 -0.226 25 HE3 LYS 2 HE1 LYS 2 27.394 12.696 0.019 26 HZ1 LYS 2 HZ1 LYS 2 25.148 11.427 0.760 27 HZ2 LYS 2 HZ2 LYS 2 26.369 11.923 1.832 28 HZ3 LYS 2 HZ3 LYS 2 26.329 10.321 1.267 29 H HIS 3 HN HIS 3 22.950 12.826 -0.114 30 HA HIS 3 HA HIS 3 20.535 11.313 -0.230 31 HB2 HIS 3 HB2 HIS 3 22.140 9.742 -1.363 32 HB3 HIS 3 HB1 HIS 3 23.060 9.689 0.141 33 HD2 HIS 3 HD2 HIS 3 22.181 6.886 0.298 34 HE1 HIS 3 HE1 HIS 3 18.253 7.915 1.447 35 HE2 HIS 3 HE2 HIS 3 19.918 6.008 1.259 36 H THR 4 HN THR 4 22.277 9.543 1.826 37 HA THR 4 HA THR 4 21.938 11.440 4.078 38 HB THR 4 HB THR 4 20.226 9.758 4.259 39 HG1 THR 4 HG1 THR 4 20.791 9.792 6.266 40 HG21 THR 4 HG21 THR 4 20.517 7.735 3.332 41 HG22 THR 4 HG22 THR 4 21.718 7.350 4.560 42 HG23 THR 4 HG23 THR 4 22.218 8.097 3.041 43 H ILE 5 HN ILE 5 23.038 8.495 5.126 44 HA ILE 5 HA ILE 5 25.842 9.428 5.117 45 HB ILE 5 HB ILE 5 25.982 7.835 7.142 46 HG12 ILE 5 HG12 ILE 5 23.136 8.391 7.672 47 HG13 ILE 5 HG11 ILE 5 23.410 7.215 6.386 48 HG21 ILE 5 HG21 ILE 5 26.200 10.093 7.667 49 HG22 ILE 5 HG22 ILE 5 24.734 9.679 8.555 50 HG23 ILE 5 HG23 ILE 5 24.619 10.506 7.001 51 HD11 ILE 5 HD11 ILE 5 23.269 6.295 8.783 52 HD12 ILE 5 HD12 ILE 5 24.850 7.034 9.032 53 HD13 ILE 5 HD13 ILE 5 24.645 5.780 7.811 54 H TRP 6 HN TRP 6 23.669 6.897 4.238 55 HA TRP 6 HA TRP 6 25.181 4.621 4.151 56 HB2 TRP 6 HB2 TRP 6 22.896 5.646 2.730 57 HB3 TRP 6 HB1 TRP 6 23.935 4.751 1.623 58 HD1 TRP 6 HD1 TRP 6 22.815 2.460 1.449 59 HE1 TRP 6 HE1 TRP 6 22.091 0.644 3.122 60 HE3 TRP 6 HE3 TRP 6 23.593 4.952 5.828 61 HZ2 TRP 6 HZ2 TRP 6 21.873 0.296 5.948 62 HZ3 TRP 6 HZ3 TRP 6 23.119 3.858 8.001 63 HH2 TRP 6 HH2 TRP 6 22.259 1.533 8.067 64 H GLU 7 HN GLU 7 25.086 7.063 1.548 65 HA GLU 7 HA GLU 7 27.115 5.941 -0.026 66 HB2 GLU 7 HB2 GLU 7 25.589 8.385 0.062 67 HB3 GLU 7 HB1 GLU 7 27.269 8.721 -0.359 68 HG2 GLU 7 HG2 GLU 7 25.585 6.586 -1.691 69 HG3 GLU 7 HG1 GLU 7 25.812 8.207 -2.344 70 H VAL 8 HN VAL 8 27.374 7.184 3.056 71 HA VAL 8 HA VAL 8 30.175 8.024 2.675 72 HB VAL 8 HB VAL 8 28.554 8.417 5.185 73 HG11 VAL 8 HG11 VAL 8 30.812 10.069 4.045 74 HG12 VAL 8 HG12 VAL 8 31.109 8.667 5.072 75 HG13 VAL 8 HG13 VAL 8 30.208 10.045 5.701 76 HG21 VAL 8 HG21 VAL 8 27.320 9.439 3.303 77 HG22 VAL 8 HG22 VAL 8 28.790 10.261 2.784 78 HG23 VAL 8 HG23 VAL 8 28.042 10.683 4.323 79 H ILE 9 HN ILE 9 28.086 5.827 4.491 80 HA ILE 9 HA ILE 9 30.489 4.447 5.497 81 HB ILE 9 HB ILE 9 29.395 5.053 7.424 82 HG12 ILE 9 HG12 ILE 9 29.284 2.386 6.915 83 HG13 ILE 9 HG11 ILE 9 28.766 3.111 8.422 84 HG21 ILE 9 HG21 ILE 9 27.578 6.248 6.529 85 HG22 ILE 9 HG22 ILE 9 26.866 5.059 7.609 86 HG23 ILE 9 HG23 ILE 9 26.834 4.798 5.861 87 HD11 ILE 9 HD11 ILE 9 27.121 1.481 7.322 88 HD12 ILE 9 HD12 ILE 9 26.841 2.735 6.123 89 HD13 ILE 9 HD13 ILE 9 26.473 3.043 7.816 90 H ALA 10 HN ALA 10 27.222 3.966 4.192 91 HA ALA 10 HA ALA 10 27.548 1.149 3.803 92 HB1 ALA 10 HB1 ALA 10 25.486 1.274 2.543 93 HB2 ALA 10 HB2 ALA 10 25.637 3.025 2.394 94 HB3 ALA 10 HB3 ALA 10 25.337 2.295 3.973 95 H GLY 11 HN GLY 11 27.162 3.699 1.327 96 HA2 GLY 11 HA2 GLY 11 28.068 2.249 -0.850 97 HA3 GLY 11 HA1 GLY 11 28.234 3.998 -0.698 98 H LEU 12 HN LEU 12 29.753 3.254 1.906 99 HA LEU 12 HA LEU 12 32.367 3.022 0.596 100 HB2 LEU 12 HB2 LEU 12 31.804 4.977 2.149 101 HB3 LEU 12 HB1 LEU 12 31.865 3.804 3.464 102 HG LEU 12 HG LEU 12 34.175 3.166 2.275 103 HD11 LEU 12 HD11 LEU 12 34.156 6.143 1.859 104 HD12 LEU 12 HD12 LEU 12 33.571 5.082 0.577 105 HD13 LEU 12 HD13 LEU 12 35.230 4.931 1.161 106 HD21 LEU 12 HD21 LEU 12 33.995 3.820 4.605 107 HD22 LEU 12 HD22 LEU 12 33.681 5.496 4.154 108 HD23 LEU 12 HD23 LEU 12 35.270 4.787 3.864 109 H VAL 13 HN VAL 13 30.199 1.456 2.829 110 HA VAL 13 HA VAL 13 32.218 -0.664 3.272 111 HB VAL 13 HB VAL 13 29.905 0.080 5.075 112 HG11 VAL 13 HG11 VAL 13 30.405 -2.274 5.248 113 HG12 VAL 13 HG12 VAL 13 31.132 -1.478 6.643 114 HG13 VAL 13 HG13 VAL 13 32.138 -1.955 5.277 115 HG21 VAL 13 HG21 VAL 13 31.301 1.523 6.116 116 HG22 VAL 13 HG22 VAL 13 32.406 1.333 4.755 117 HG23 VAL 13 HG23 VAL 13 32.581 0.312 6.183 118 H ALA 14 HN ALA 14 28.673 -0.184 3.213 119 HA ALA 14 HA ALA 14 27.837 -2.766 2.884 120 HB1 ALA 14 HB1 ALA 14 26.268 -0.894 3.001 121 HB2 ALA 14 HB2 ALA 14 25.939 -1.864 1.565 122 HB3 ALA 14 HB3 ALA 14 26.795 -0.329 1.416 123 H LEU 15 HN LEU 15 29.150 -0.620 0.380 124 HA LEU 15 HA LEU 15 28.815 -2.494 -1.744 125 HB2 LEU 15 HB2 LEU 15 29.105 -0.044 -2.104 126 HB3 LEU 15 HB1 LEU 15 30.768 -0.184 -1.541 127 HG LEU 15 HG LEU 15 31.237 -1.798 -3.372 128 HD11 LEU 15 HD11 LEU 15 29.288 -2.860 -4.010 129 HD12 LEU 15 HD12 LEU 15 29.334 -1.599 -5.242 130 HD13 LEU 15 HD13 LEU 15 28.307 -1.407 -3.821 131 HD21 LEU 15 HD21 LEU 15 31.022 -0.132 -5.251 132 HD22 LEU 15 HD22 LEU 15 31.739 0.534 -3.784 133 HD23 LEU 15 HD23 LEU 15 30.053 0.874 -4.175 134 H LEU 16 HN LEU 16 31.299 -1.846 0.631 135 HA LEU 16 HA LEU 16 33.138 -3.764 -0.590 136 HB2 LEU 16 HB2 LEU 16 33.517 -2.302 2.022 137 HB3 LEU 16 HB1 LEU 16 34.752 -2.995 0.970 138 HG LEU 16 HG LEU 16 32.984 -0.612 0.355 139 HD11 LEU 16 HD11 LEU 16 35.055 -0.405 1.887 140 HD12 LEU 16 HD12 LEU 16 34.959 0.686 0.504 141 HD13 LEU 16 HD13 LEU 16 35.999 -0.737 0.434 142 HD21 LEU 16 HD21 LEU 16 34.851 -2.263 -1.343 143 HD22 LEU 16 HD22 LEU 16 34.568 -0.562 -1.709 144 HD23 LEU 16 HD23 LEU 16 33.222 -1.701 -1.722 145 H THR 17 HN THR 17 30.450 -3.994 1.215 146 HA THR 17 HA THR 17 31.436 -6.348 2.706 147 HB THR 17 HB THR 17 29.578 -4.159 3.520 148 HG1 THR 17 HG1 THR 17 30.897 -5.414 5.460 149 HG21 THR 17 HG21 THR 17 28.071 -5.957 3.807 150 HG22 THR 17 HG22 THR 17 28.842 -5.790 5.382 151 HG23 THR 17 HG23 THR 17 29.356 -7.068 4.283 152 H PHE 18 HN PHE 18 28.350 -4.939 1.594 153 HA PHE 18 HA PHE 18 26.822 -7.196 1.423 154 HB2 PHE 18 HB2 PHE 18 26.280 -4.722 0.803 155 HB3 PHE 18 HB1 PHE 18 26.736 -5.212 -0.830 156 HD1 PHE 18 HD2 PHE 18 24.392 -5.831 1.969 157 HD2 PHE 18 HD1 PHE 18 25.366 -6.721 -2.119 158 HE1 PHE 18 HE2 PHE 18 22.176 -6.903 1.674 159 HE2 PHE 18 HE1 PHE 18 23.151 -7.793 -2.414 160 HZ PHE 18 HZ PHE 18 21.554 -7.885 -0.517 161 H LEU 19 HN LEU 19 29.210 -6.068 -0.938 162 HA LEU 19 HA LEU 19 28.666 -8.184 -2.812 163 HB2 LEU 19 HB2 LEU 19 30.800 -6.073 -2.565 164 HB3 LEU 19 HB1 LEU 19 30.919 -7.341 -3.782 165 HG LEU 19 HG LEU 19 29.814 -5.229 -4.605 166 HD11 LEU 19 HD11 LEU 19 27.565 -7.087 -4.791 167 HD12 LEU 19 HD12 LEU 19 29.108 -7.884 -5.090 168 HD13 LEU 19 HD13 LEU 19 28.632 -6.492 -6.061 169 HD21 LEU 19 HD21 LEU 19 27.478 -6.075 -2.887 170 HD22 LEU 19 HD22 LEU 19 27.692 -4.565 -3.773 171 HD23 LEU 19 HD23 LEU 19 28.657 -4.887 -2.333 172 H ALA 20 HN ALA 20 30.506 -7.922 0.059 173 HA ALA 20 HA ALA 20 32.298 -10.120 -0.669 174 HB1 ALA 20 HB1 ALA 20 33.667 -9.163 0.825 175 HB2 ALA 20 HB2 ALA 20 32.471 -9.398 2.100 176 HB3 ALA 20 HB3 ALA 20 32.445 -7.928 1.127 177 H PHE 21 HN PHE 21 29.777 -9.378 1.725 178 HA PHE 21 HA PHE 21 29.710 -12.104 2.688 179 HB2 PHE 21 HB2 PHE 21 28.056 -9.648 3.278 180 HB3 PHE 21 HB1 PHE 21 27.729 -11.220 4.007 181 HD1 PHE 21 HD2 PHE 21 30.585 -8.862 3.403 182 HD2 PHE 21 HD1 PHE 21 28.799 -11.771 6.011 183 HE1 PHE 21 HE2 PHE 21 32.372 -8.460 5.073 184 HE2 PHE 21 HE1 PHE 21 30.587 -11.370 7.682 185 HZ PHE 21 HZ PHE 21 32.372 -9.715 7.210 186 H GLY 22 HN GLY 22 27.769 -10.024 0.596 187 HA2 GLY 22 HA2 GLY 22 25.560 -11.769 0.281 188 HA3 GLY 22 HA1 GLY 22 26.022 -10.486 -0.833 189 H PHE 23 HN PHE 23 28.451 -11.250 -1.757 190 HA PHE 23 HA PHE 23 27.878 -13.117 -3.729 191 HB2 PHE 23 HB2 PHE 23 29.696 -11.697 -4.160 192 HB3 PHE 23 HB1 PHE 23 30.438 -12.034 -2.595 193 HD1 PHE 23 HD1 PHE 23 29.551 -13.596 -5.862 194 HD2 PHE 23 HD2 PHE 23 31.973 -13.793 -2.322 195 HE1 PHE 23 HE1 PHE 23 30.865 -15.444 -6.864 196 HE2 PHE 23 HE2 PHE 23 33.286 -15.639 -3.323 197 HZ PHE 23 HZ PHE 23 32.732 -16.470 -5.596 198 H TRP 24 HN TRP 24 28.708 -13.545 -0.438 199 HA TRP 24 HA TRP 24 29.492 -16.343 -0.844 200 HB2 TRP 24 HB2 TRP 24 30.953 -15.145 0.640 201 HB3 TRP 24 HB1 TRP 24 29.586 -14.532 1.574 202 HD1 TRP 24 HD1 TRP 24 30.795 -18.036 0.468 203 HE1 TRP 24 HE1 TRP 24 30.556 -19.639 2.476 204 HE3 TRP 24 HE3 TRP 24 28.892 -14.820 3.926 205 HZ2 TRP 24 HZ2 TRP 24 29.671 -19.559 5.191 206 HZ3 TRP 24 HZ3 TRP 24 28.357 -15.601 6.221 207 HH2 TRP 24 HH2 TRP 24 28.744 -17.966 6.855 208 H LEU 25 HN LEU 25 27.669 -14.787 1.746 209 HA LEU 25 HA LEU 25 26.137 -16.577 2.834 210 HB2 LEU 25 HB2 LEU 25 25.465 -13.861 1.886 211 HB3 LEU 25 HB1 LEU 25 24.095 -14.877 2.335 212 HG LEU 25 HG LEU 25 26.512 -14.674 4.114 213 HD11 LEU 25 HD11 LEU 25 25.391 -12.862 5.341 214 HD12 LEU 25 HD12 LEU 25 24.084 -12.857 4.157 215 HD13 LEU 25 HD13 LEU 25 25.710 -12.370 3.678 216 HD21 LEU 25 HD21 LEU 25 24.274 -16.259 4.204 217 HD22 LEU 25 HD22 LEU 25 23.775 -14.894 5.201 218 HD23 LEU 25 HD23 LEU 25 25.226 -15.806 5.617 219 H PHE 26 HN PHE 26 24.977 -15.215 -0.263 220 HA PHE 26 HA PHE 26 22.979 -17.224 -0.547 221 HB2 PHE 26 HB2 PHE 26 24.102 -15.603 -2.819 222 HB3 PHE 26 HB1 PHE 26 22.457 -16.197 -2.602 223 HD1 PHE 26 HD1 PHE 26 21.579 -15.457 -0.032 224 HD2 PHE 26 HD2 PHE 26 24.232 -13.283 -2.622 225 HE1 PHE 26 HE1 PHE 26 20.971 -13.349 1.114 226 HE2 PHE 26 HE2 PHE 26 23.624 -11.174 -1.471 227 HZ PHE 26 HZ PHE 26 21.995 -11.207 0.397 228 H LYS 27 HN LYS 27 25.862 -16.628 -2.558 229 HA LYS 27 HA LYS 27 25.747 -19.009 -3.992 230 HB2 LYS 27 HB2 LYS 27 28.385 -17.762 -3.239 231 HB3 LYS 27 HB1 LYS 27 27.945 -18.575 -4.734 232 HG2 LYS 27 HG2 LYS 27 26.815 -15.904 -3.823 233 HG3 LYS 27 HG1 LYS 27 28.103 -16.100 -4.997 234 HD2 LYS 27 HD2 LYS 27 25.292 -17.199 -5.301 235 HD3 LYS 27 HD1 LYS 27 25.917 -15.758 -6.091 236 HE2 LYS 27 HE2 LYS 27 26.322 -17.289 -7.766 237 HE3 LYS 27 HE1 LYS 27 27.832 -17.450 -6.868 238 HZ1 LYS 27 HZ1 LYS 27 26.067 -19.454 -7.434 239 HZ2 LYS 27 HZ2 LYS 27 25.759 -19.098 -5.802 240 HZ3 LYS 27 HZ3 LYS 27 27.327 -19.522 -6.300 241 H TYR 28 HN TYR 28 26.039 -18.863 -0.715 242 HA TYR 28 HA TYR 28 27.475 -21.452 -0.643 243 HB2 TYR 28 HB2 TYR 28 29.047 -20.359 0.549 244 HB3 TYR 28 HB1 TYR 28 27.986 -18.991 0.876 245 HD1 TYR 28 HD1 TYR 28 28.539 -22.568 1.815 246 HD2 TYR 28 HD2 TYR 28 27.013 -18.732 2.994 247 HE1 TYR 28 HE1 TYR 28 28.132 -23.433 4.106 248 HE2 TYR 28 HE2 TYR 28 26.603 -19.595 5.283 249 HH TYR 28 HH TYR 28 27.612 -21.506 6.730 250 H LEU 29 HN LEU 29 24.925 -19.420 0.702 251 HA LEU 29 HA LEU 29 23.912 -21.744 2.212 252 HB2 LEU 29 HB2 LEU 29 24.318 -19.272 3.148 253 HB3 LEU 29 HB1 LEU 29 22.683 -19.054 2.527 254 HG LEU 29 HG LEU 29 23.555 -21.240 4.444 255 HD11 LEU 29 HD11 LEU 29 22.023 -19.944 6.010 256 HD12 LEU 29 HD12 LEU 29 22.070 -18.634 4.832 257 HD13 LEU 29 HD13 LEU 29 23.555 -19.160 5.625 258 HD21 LEU 29 HD21 LEU 29 20.906 -21.258 4.635 259 HD22 LEU 29 HD22 LEU 29 21.719 -22.174 3.369 260 HD23 LEU 29 HD23 LEU 29 21.003 -20.605 3.001 261 H GLN 30 HN GLN 30 22.964 -19.299 -0.160 262 HA GLN 30 HA GLN 30 20.258 -20.168 -0.399 263 HB2 GLN 30 HB2 GLN 30 20.793 -17.950 -1.093 264 HB3 GLN 30 HB1 GLN 30 22.035 -18.525 -2.202 265 HG2 GLN 30 HG2 GLN 30 20.525 -19.225 -3.779 266 HG3 GLN 30 HG1 GLN 30 19.271 -19.565 -2.588 267 HE21 GLN 30 HE21 GLN 30 20.744 -16.461 -2.164 268 HE22 GLN 30 HE22 GLN 30 19.514 -15.547 -2.890 269 H LYS 31 HN LYS 31 23.238 -21.359 -1.678 270 HA LYS 31 HA LYS 31 21.874 -22.882 -3.781 271 HB2 LYS 31 HB2 LYS 31 24.682 -22.123 -3.189 272 HB3 LYS 31 HB1 LYS 31 24.436 -23.677 -3.982 273 HG2 LYS 31 HG2 LYS 31 24.717 -21.871 -5.641 274 HG3 LYS 31 HG1 LYS 31 23.105 -22.578 -5.744 275 HD2 LYS 31 HD2 LYS 31 22.116 -20.731 -4.592 276 HD3 LYS 31 HD1 LYS 31 23.688 -20.115 -4.086 277 HE2 LYS 31 HE2 LYS 31 23.978 -19.001 -6.032 278 HE3 LYS 31 HE1 LYS 31 23.495 -20.401 -6.988 279 HZ1 LYS 31 HZ1 LYS 31 21.620 -19.321 -7.395 280 HZ2 LYS 31 HZ2 LYS 31 21.977 -18.110 -6.258 281 HZ3 LYS 31 HZ3 LYS 31 21.199 -19.537 -5.765 282 H LYS 32 HN LYS 32 21.811 -23.331 -0.704 283 HA LYS 32 HA LYS 32 22.802 -26.099 -0.650 284 HB2 LYS 32 HB2 LYS 32 21.712 -24.373 1.586 285 HB3 LYS 32 HB1 LYS 32 22.397 -25.984 1.778 286 HG2 LYS 32 HG2 LYS 32 23.916 -23.654 0.571 287 HG3 LYS 32 HG1 LYS 32 23.994 -24.079 2.278 288 HD2 LYS 32 HD2 LYS 32 25.653 -25.510 1.758 289 HD3 LYS 32 HD1 LYS 32 24.461 -26.498 0.918 290 HE2 LYS 32 HE2 LYS 32 24.826 -25.007 -1.110 291 HE3 LYS 32 HE1 LYS 32 26.197 -24.309 -0.249 292 HZ1 LYS 32 HZ1 LYS 32 27.187 -26.000 -1.413 293 HZ2 LYS 32 HZ2 LYS 32 25.847 -27.035 -1.290 294 HZ3 LYS 32 HZ3 LYS 32 26.855 -26.784 0.053 Start of MODEL 40 1 H1 LYS 1 HT1 LYS 1 21.514 18.160 -2.676 2 H2 LYS 1 HT2 LYS 1 22.395 16.725 -2.456 3 H3 LYS 1 HT3 LYS 1 21.667 17.490 -1.126 4 HA LYS 1 HA LYS 1 19.734 16.488 -1.461 5 HB2 LYS 1 HB2 LYS 1 19.807 18.135 -3.622 6 HB3 LYS 1 HB1 LYS 1 19.761 16.569 -4.431 7 HG2 LYS 1 HG2 LYS 1 17.803 17.474 -2.292 8 HG3 LYS 1 HG1 LYS 1 17.483 17.479 -4.025 9 HD2 LYS 1 HD2 LYS 1 17.887 15.028 -4.091 10 HD3 LYS 1 HD1 LYS 1 18.123 15.038 -2.344 11 HE2 LYS 1 HE2 LYS 1 15.697 16.413 -2.819 12 HE3 LYS 1 HE1 LYS 1 15.652 14.963 -3.824 13 HZ1 LYS 1 HZ1 LYS 1 15.354 15.180 -1.031 14 HZ2 LYS 1 HZ2 LYS 1 16.715 14.223 -1.369 15 HZ3 LYS 1 HZ3 LYS 1 15.200 13.803 -2.011 16 H LYS 2 HN LYS 2 22.180 15.075 -1.340 17 HA LYS 2 HA LYS 2 22.069 12.929 -3.296 18 HB2 LYS 2 HB2 LYS 2 24.262 13.573 -2.583 19 HB3 LYS 2 HB1 LYS 2 23.814 13.437 -0.881 20 HG2 LYS 2 HG2 LYS 2 23.886 11.126 -0.903 21 HG3 LYS 2 HG1 LYS 2 23.471 11.024 -2.614 22 HD2 LYS 2 HD2 LYS 2 25.844 10.394 -2.165 23 HD3 LYS 2 HD1 LYS 2 25.703 11.783 -3.243 24 HE2 LYS 2 HE2 LYS 2 25.840 12.376 -0.332 25 HE3 LYS 2 HE1 LYS 2 27.320 11.783 -1.086 26 HZ1 LYS 2 HZ1 LYS 2 27.585 13.921 -1.645 27 HZ2 LYS 2 HZ2 LYS 2 25.941 14.300 -1.446 28 HZ3 LYS 2 HZ3 LYS 2 26.480 13.574 -2.885 29 H HIS 3 HN HIS 3 22.516 12.475 0.171 30 HA HIS 3 HA HIS 3 19.966 11.188 0.556 31 HB2 HIS 3 HB2 HIS 3 21.270 9.449 -0.686 32 HB3 HIS 3 HB1 HIS 3 22.447 9.456 0.628 33 HD2 HIS 3 HD2 HIS 3 21.481 6.709 1.124 34 HE1 HIS 3 HE1 HIS 3 17.911 8.038 2.940 35 HE2 HIS 3 HE2 HIS 3 19.411 6.026 2.560 36 H THR 4 HN THR 4 21.969 9.467 2.434 37 HA THR 4 HA THR 4 21.981 11.492 4.597 38 HB THR 4 HB THR 4 20.362 9.787 5.128 39 HG1 THR 4 HG1 THR 4 22.188 10.427 6.657 40 HG21 THR 4 HG21 THR 4 21.959 7.437 5.325 41 HG22 THR 4 HG22 THR 4 22.193 8.104 3.709 42 HG23 THR 4 HG23 THR 4 20.571 7.720 4.278 43 H ILE 5 HN ILE 5 23.305 8.650 5.634 44 HA ILE 5 HA ILE 5 26.049 9.621 5.122 45 HB ILE 5 HB ILE 5 26.546 8.129 7.170 46 HG12 ILE 5 HG12 ILE 5 23.815 8.679 8.130 47 HG13 ILE 5 HG11 ILE 5 23.897 7.445 6.874 48 HG21 ILE 5 HG21 ILE 5 26.779 10.454 7.457 49 HG22 ILE 5 HG22 ILE 5 25.604 10.008 8.694 50 HG23 ILE 5 HG23 ILE 5 25.060 10.749 7.189 51 HD11 ILE 5 HD11 ILE 5 25.381 6.097 8.139 52 HD12 ILE 5 HD12 ILE 5 24.164 6.636 9.296 53 HD13 ILE 5 HD13 ILE 5 25.748 7.412 9.255 54 H TRP 6 HN TRP 6 23.831 7.002 4.728 55 HA TRP 6 HA TRP 6 25.359 4.755 4.493 56 HB2 TRP 6 HB2 TRP 6 22.872 5.695 3.368 57 HB3 TRP 6 HB1 TRP 6 23.756 4.740 2.178 58 HD1 TRP 6 HD1 TRP 6 22.626 2.448 2.300 59 HE1 TRP 6 HE1 TRP 6 22.176 0.727 4.158 60 HE3 TRP 6 HE3 TRP 6 24.040 5.174 6.368 61 HZ2 TRP 6 HZ2 TRP 6 22.389 0.534 6.999 62 HZ3 TRP 6 HZ3 TRP 6 23.907 4.199 8.644 63 HH2 TRP 6 HH2 TRP 6 23.083 1.883 8.965 64 H GLU 7 HN GLU 7 24.759 6.972 1.757 65 HA GLU 7 HA GLU 7 26.580 5.853 -0.021 66 HB2 GLU 7 HB2 GLU 7 25.072 8.312 0.210 67 HB3 GLU 7 HB1 GLU 7 26.651 8.597 -0.523 68 HG2 GLU 7 HG2 GLU 7 24.748 6.414 -1.409 69 HG3 GLU 7 HG1 GLU 7 24.848 7.998 -2.177 70 H VAL 8 HN VAL 8 27.259 7.348 2.917 71 HA VAL 8 HA VAL 8 29.960 8.156 2.069 72 HB VAL 8 HB VAL 8 28.767 8.652 4.788 73 HG11 VAL 8 HG11 VAL 8 30.572 10.016 5.095 74 HG12 VAL 8 HG12 VAL 8 30.576 10.555 3.416 75 HG13 VAL 8 HG13 VAL 8 31.290 9.001 3.844 76 HG21 VAL 8 HG21 VAL 8 28.041 10.855 3.927 77 HG22 VAL 8 HG22 VAL 8 27.203 9.549 3.090 78 HG23 VAL 8 HG23 VAL 8 28.542 10.384 2.302 79 H ILE 9 HN ILE 9 28.234 6.032 4.312 80 HA ILE 9 HA ILE 9 30.797 4.732 4.970 81 HB ILE 9 HB ILE 9 30.022 5.439 7.015 82 HG12 ILE 9 HG12 ILE 9 29.910 2.745 6.676 83 HG13 ILE 9 HG11 ILE 9 29.630 3.546 8.208 84 HG21 ILE 9 HG21 ILE 9 27.245 5.038 5.922 85 HG22 ILE 9 HG22 ILE 9 28.047 6.542 6.372 86 HG23 ILE 9 HG23 ILE 9 27.560 5.405 7.620 87 HD11 ILE 9 HD11 ILE 9 27.270 3.399 8.000 88 HD12 ILE 9 HD12 ILE 9 27.872 1.823 7.494 89 HD13 ILE 9 HD13 ILE 9 27.358 2.997 6.291 90 H ALA 10 HN ALA 10 27.368 4.137 4.256 91 HA ALA 10 HA ALA 10 27.677 1.308 3.984 92 HB1 ALA 10 HB1 ALA 10 25.501 2.417 4.429 93 HB2 ALA 10 HB2 ALA 10 25.446 1.358 3.021 94 HB3 ALA 10 HB3 ALA 10 25.546 3.106 2.805 95 H GLY 11 HN GLY 11 26.888 3.705 1.450 96 HA2 GLY 11 HA2 GLY 11 27.467 2.121 -0.750 97 HA3 GLY 11 HA1 GLY 11 27.621 3.879 -0.732 98 H LEU 12 HN LEU 12 29.532 3.282 1.654 99 HA LEU 12 HA LEU 12 31.921 3.003 -0.029 100 HB2 LEU 12 HB2 LEU 12 31.561 5.048 1.468 101 HB3 LEU 12 HB1 LEU 12 31.850 3.964 2.828 102 HG LEU 12 HG LEU 12 33.960 3.283 1.315 103 HD11 LEU 12 HD11 LEU 12 33.100 5.064 -0.377 104 HD12 LEU 12 HD12 LEU 12 34.819 5.053 0.019 105 HD13 LEU 12 HD13 LEU 12 33.749 6.239 0.766 106 HD21 LEU 12 HD21 LEU 12 34.111 4.051 3.622 107 HD22 LEU 12 HD22 LEU 12 33.738 5.704 3.132 108 HD23 LEU 12 HD23 LEU 12 35.263 4.963 2.648 109 H VAL 13 HN VAL 13 30.141 1.560 2.594 110 HA VAL 13 HA VAL 13 32.263 -0.484 2.899 111 HB VAL 13 HB VAL 13 30.149 0.333 4.908 112 HG11 VAL 13 HG11 VAL 13 32.382 -1.712 4.954 113 HG12 VAL 13 HG12 VAL 13 30.655 -2.004 5.165 114 HG13 VAL 13 HG13 VAL 13 31.562 -1.143 6.409 115 HG21 VAL 13 HG21 VAL 13 32.257 1.840 4.358 116 HG22 VAL 13 HG22 VAL 13 33.116 0.613 5.288 117 HG23 VAL 13 HG23 VAL 13 31.807 1.529 6.034 118 H ALA 14 HN ALA 14 28.718 -0.103 3.204 119 HA ALA 14 HA ALA 14 27.916 -2.708 3.150 120 HB1 ALA 14 HB1 ALA 14 26.665 -0.473 1.532 121 HB2 ALA 14 HB2 ALA 14 26.354 -0.795 3.237 122 HB3 ALA 14 HB3 ALA 14 25.870 -1.972 2.015 123 H LEU 15 HN LEU 15 28.938 -0.764 0.364 124 HA LEU 15 HA LEU 15 28.455 -2.783 -1.578 125 HB2 LEU 15 HB2 LEU 15 28.878 -0.284 -1.995 126 HB3 LEU 15 HB1 LEU 15 30.587 -0.659 -1.784 127 HG LEU 15 HG LEU 15 30.314 -2.472 -3.531 128 HD11 LEU 15 HD11 LEU 15 28.164 -1.447 -5.003 129 HD12 LEU 15 HD12 LEU 15 27.554 -1.552 -3.353 130 HD13 LEU 15 HD13 LEU 15 28.208 -2.984 -4.145 131 HD21 LEU 15 HD21 LEU 15 29.993 0.466 -4.098 132 HD22 LEU 15 HD22 LEU 15 30.068 -0.689 -5.430 133 HD23 LEU 15 HD23 LEU 15 31.417 -0.552 -4.303 134 H LEU 16 HN LEU 16 31.229 -1.888 0.401 135 HA LEU 16 HA LEU 16 32.945 -3.909 -0.742 136 HB2 LEU 16 HB2 LEU 16 33.389 -2.357 1.808 137 HB3 LEU 16 HB1 LEU 16 34.604 -3.124 0.782 138 HG LEU 16 HG LEU 16 32.843 -0.775 0.017 139 HD11 LEU 16 HD11 LEU 16 35.855 -0.911 0.290 140 HD12 LEU 16 HD12 LEU 16 34.798 -0.373 1.595 141 HD13 LEU 16 HD13 LEU 16 34.857 0.528 0.080 142 HD21 LEU 16 HD21 LEU 16 33.159 -1.931 -1.999 143 HD22 LEU 16 HD22 LEU 16 34.751 -2.524 -1.522 144 HD23 LEU 16 HD23 LEU 16 34.538 -0.832 -1.980 145 H THR 17 HN THR 17 30.458 -3.902 1.522 146 HA THR 17 HA THR 17 31.523 -6.293 2.885 147 HB THR 17 HB THR 17 29.632 -4.141 3.730 148 HG1 THR 17 HG1 THR 17 31.990 -5.331 4.548 149 HG21 THR 17 HG21 THR 17 29.121 -5.740 5.701 150 HG22 THR 17 HG22 THR 17 29.610 -7.025 4.596 151 HG23 THR 17 HG23 THR 17 28.242 -5.987 4.192 152 H PHE 18 HN PHE 18 28.308 -5.017 2.003 153 HA PHE 18 HA PHE 18 26.816 -7.266 1.968 154 HB2 PHE 18 HB2 PHE 18 26.207 -4.860 1.234 155 HB3 PHE 18 HB1 PHE 18 26.661 -5.395 -0.383 156 HD1 PHE 18 HD2 PHE 18 24.360 -5.995 2.463 157 HD2 PHE 18 HD1 PHE 18 25.290 -6.934 -1.620 158 HE1 PHE 18 HE2 PHE 18 22.161 -7.110 2.214 159 HE2 PHE 18 HE1 PHE 18 23.102 -8.045 -1.873 160 HZ PHE 18 HZ PHE 18 21.527 -8.137 0.047 161 H LEU 19 HN LEU 19 29.095 -6.291 -0.576 162 HA LEU 19 HA LEU 19 28.519 -8.549 -2.270 163 HB2 LEU 19 HB2 LEU 19 30.660 -6.432 -2.218 164 HB3 LEU 19 HB1 LEU 19 30.777 -7.807 -3.313 165 HG LEU 19 HG LEU 19 28.703 -7.238 -4.384 166 HD11 LEU 19 HD11 LEU 19 27.320 -6.574 -2.571 167 HD12 LEU 19 HD12 LEU 19 27.472 -5.140 -3.579 168 HD13 LEU 19 HD13 LEU 19 28.421 -5.282 -2.101 169 HD21 LEU 19 HD21 LEU 19 30.578 -5.943 -5.202 170 HD22 LEU 19 HD22 LEU 19 30.414 -4.790 -3.879 171 HD23 LEU 19 HD23 LEU 19 29.173 -4.880 -5.128 172 H ALA 20 HN ALA 20 31.303 -7.676 -0.209 173 HA ALA 20 HA ALA 20 32.834 -9.942 -0.517 174 HB1 ALA 20 HB1 ALA 20 33.007 -9.370 2.214 175 HB2 ALA 20 HB2 ALA 20 32.582 -7.833 1.461 176 HB3 ALA 20 HB3 ALA 20 34.021 -8.704 0.932 177 H PHE 21 HN PHE 21 30.206 -9.449 1.843 178 HA PHE 21 HA PHE 21 30.337 -12.197 2.734 179 HB2 PHE 21 HB2 PHE 21 28.472 -9.904 3.353 180 HB3 PHE 21 HB1 PHE 21 28.280 -11.515 4.047 181 HD1 PHE 21 HD1 PHE 21 30.895 -8.876 3.537 182 HD2 PHE 21 HD2 PHE 21 29.395 -12.029 6.040 183 HE1 PHE 21 HE1 PHE 21 32.617 -8.343 5.239 184 HE2 PHE 21 HE2 PHE 21 31.117 -11.496 7.741 185 HZ PHE 21 HZ PHE 21 32.728 -9.653 7.341 186 H GLY 22 HN GLY 22 28.326 -10.248 0.599 187 HA2 GLY 22 HA2 GLY 22 26.195 -12.052 0.237 188 HA3 GLY 22 HA1 GLY 22 26.699 -10.826 -0.923 189 H PHE 23 HN PHE 23 29.183 -11.606 -1.657 190 HA PHE 23 HA PHE 23 28.790 -13.483 -3.623 191 HB2 PHE 23 HB2 PHE 23 31.068 -12.135 -2.461 192 HB3 PHE 23 HB1 PHE 23 31.479 -13.801 -2.866 193 HD1 PHE 23 HD1 PHE 23 30.358 -14.605 -5.201 194 HD2 PHE 23 HD2 PHE 23 31.376 -10.562 -4.161 195 HE1 PHE 23 HE1 PHE 23 30.452 -14.011 -7.606 196 HE2 PHE 23 HE2 PHE 23 31.472 -9.968 -6.565 197 HZ PHE 23 HZ PHE 23 31.009 -11.693 -8.289 198 H TRP 24 HN TRP 24 29.119 -13.958 -0.264 199 HA TRP 24 HA TRP 24 29.652 -16.831 -0.598 200 HB2 TRP 24 HB2 TRP 24 31.148 -15.823 0.981 201 HB3 TRP 24 HB1 TRP 24 29.817 -15.012 1.807 202 HD1 TRP 24 HD1 TRP 24 30.592 -18.666 0.812 203 HE1 TRP 24 HE1 TRP 24 29.990 -20.189 2.808 204 HE3 TRP 24 HE3 TRP 24 28.936 -15.161 4.111 205 HZ2 TRP 24 HZ2 TRP 24 28.942 -19.942 5.454 206 HZ3 TRP 24 HZ3 TRP 24 28.138 -15.823 6.367 207 HH2 TRP 24 HH2 TRP 24 28.140 -18.208 7.040 208 H LEU 25 HN LEU 25 27.844 -14.988 1.823 209 HA LEU 25 HA LEU 25 26.026 -16.580 2.806 210 HB2 LEU 25 HB2 LEU 25 25.765 -13.806 1.808 211 HB3 LEU 25 HB1 LEU 25 24.255 -14.645 2.174 212 HG LEU 25 HG LEU 25 26.554 -14.733 4.108 213 HD11 LEU 25 HD11 LEU 25 25.618 -12.759 5.243 214 HD12 LEU 25 HD12 LEU 25 24.418 -12.585 3.964 215 HD13 LEU 25 HD13 LEU 25 26.128 -12.346 3.606 216 HD21 LEU 25 HD21 LEU 25 23.726 -14.550 4.972 217 HD22 LEU 25 HD22 LEU 25 25.011 -15.611 5.549 218 HD23 LEU 25 HD23 LEU 25 24.142 -16.005 4.067 219 H PHE 26 HN PHE 26 25.310 -15.105 -0.372 220 HA PHE 26 HA PHE 26 23.105 -16.854 -0.835 221 HB2 PHE 26 HB2 PHE 26 24.618 -15.386 -2.986 222 HB3 PHE 26 HB1 PHE 26 22.901 -15.778 -2.930 223 HD1 PHE 26 HD2 PHE 26 21.915 -14.940 -0.406 224 HD2 PHE 26 HD1 PHE 26 24.968 -13.088 -2.797 225 HE1 PHE 26 HE2 PHE 26 21.462 -12.773 0.696 226 HE2 PHE 26 HE1 PHE 26 24.509 -10.917 -1.694 227 HZ PHE 26 HZ PHE 26 22.762 -10.760 0.055 228 H LYS 27 HN LYS 27 26.220 -16.618 -2.555 229 HA LYS 27 HA LYS 27 25.979 -18.948 -4.031 230 HB2 LYS 27 HB2 LYS 27 28.605 -17.969 -2.915 231 HB3 LYS 27 HB1 LYS 27 28.315 -18.799 -4.443 232 HG2 LYS 27 HG2 LYS 27 27.450 -15.990 -3.701 233 HG3 LYS 27 HG1 LYS 27 28.621 -16.452 -4.933 234 HD2 LYS 27 HD2 LYS 27 26.651 -17.808 -5.965 235 HD3 LYS 27 HD1 LYS 27 25.630 -16.778 -4.960 236 HE2 LYS 27 HE2 LYS 27 27.187 -14.873 -6.024 237 HE3 LYS 27 HE1 LYS 27 27.302 -16.063 -7.322 238 HZ1 LYS 27 HZ1 LYS 27 25.357 -14.338 -7.248 239 HZ2 LYS 27 HZ2 LYS 27 24.664 -15.475 -6.193 240 HZ3 LYS 27 HZ3 LYS 27 25.087 -15.927 -7.775 241 H TYR 28 HN TYR 28 25.944 -18.848 -0.719 242 HA TYR 28 HA TYR 28 26.982 -21.614 -0.548 243 HB2 TYR 28 HB2 TYR 28 28.546 -20.773 0.836 244 HB3 TYR 28 HB1 TYR 28 27.679 -19.258 1.048 245 HD1 TYR 28 HD2 TYR 28 27.396 -22.882 1.963 246 HD2 TYR 28 HD1 TYR 28 26.703 -18.803 3.118 247 HE1 TYR 28 HE2 TYR 28 26.625 -23.643 4.195 248 HE2 TYR 28 HE1 TYR 28 25.937 -19.564 5.350 249 HH TYR 28 HH TYR 28 26.528 -22.542 6.579 250 H LEU 29 HN LEU 29 24.610 -19.256 0.572 251 HA LEU 29 HA LEU 29 23.122 -21.429 1.901 252 HB2 LEU 29 HB2 LEU 29 23.745 -19.033 2.931 253 HB3 LEU 29 HB1 LEU 29 22.252 -18.588 2.113 254 HG LEU 29 HG LEU 29 21.719 -19.233 4.387 255 HD11 LEU 29 HD11 LEU 29 19.996 -20.764 3.949 256 HD12 LEU 29 HD12 LEU 29 20.951 -21.645 2.757 257 HD13 LEU 29 HD13 LEU 29 20.303 -20.050 2.368 258 HD21 LEU 29 HD21 LEU 29 22.810 -20.862 5.496 259 HD22 LEU 29 HD22 LEU 29 23.836 -21.055 4.078 260 HD23 LEU 29 HD23 LEU 29 22.395 -22.052 4.262 261 H GLN 30 HN GLN 30 22.779 -18.836 -0.485 262 HA GLN 30 HA GLN 30 20.038 -19.351 -1.060 263 HB2 GLN 30 HB2 GLN 30 20.948 -17.228 -1.676 264 HB3 GLN 30 HB1 GLN 30 22.207 -17.982 -2.651 265 HG2 GLN 30 HG2 GLN 30 20.789 -18.487 -4.377 266 HG3 GLN 30 HG1 GLN 30 19.387 -18.652 -3.321 267 HE21 GLN 30 HE21 GLN 30 21.144 -15.741 -2.709 268 HE22 GLN 30 HE22 GLN 30 20.129 -14.698 -3.579 269 H LYS 31 HN LYS 31 22.954 -20.950 -1.951 270 HA LYS 31 HA LYS 31 21.760 -22.244 -4.276 271 HB2 LYS 31 HB2 LYS 31 24.456 -21.939 -3.159 272 HB3 LYS 31 HB1 LYS 31 24.130 -23.556 -3.781 273 HG2 LYS 31 HG2 LYS 31 25.036 -22.165 -5.571 274 HG3 LYS 31 HG1 LYS 31 23.350 -22.539 -5.925 275 HD2 LYS 31 HD2 LYS 31 23.362 -20.173 -4.343 276 HD3 LYS 31 HD1 LYS 31 24.583 -19.964 -5.598 277 HE2 LYS 31 HE2 LYS 31 22.881 -20.695 -7.295 278 HE3 LYS 31 HE1 LYS 31 21.671 -20.689 -6.013 279 HZ1 LYS 31 HZ1 LYS 31 22.390 -18.321 -5.598 280 HZ2 LYS 31 HZ2 LYS 31 21.523 -18.602 -7.032 281 HZ3 LYS 31 HZ3 LYS 31 23.210 -18.400 -7.081 282 H LYS 32 HN LYS 32 21.395 -22.631 -1.066 283 HA LYS 32 HA LYS 32 21.556 -25.543 -0.997 284 HB2 LYS 32 HB2 LYS 32 20.570 -23.613 1.115 285 HB3 LYS 32 HB1 LYS 32 20.935 -25.318 1.352 286 HG2 LYS 32 HG2 LYS 32 22.968 -23.284 0.393 287 HG3 LYS 32 HG1 LYS 32 22.772 -23.737 2.083 288 HD2 LYS 32 HD2 LYS 32 24.230 -25.414 1.687 289 HD3 LYS 32 HD1 LYS 32 22.967 -26.189 0.735 290 HE2 LYS 32 HE2 LYS 32 23.760 -24.775 -1.233 291 HE3 LYS 32 HE1 LYS 32 25.158 -24.350 -0.249 292 HZ1 LYS 32 HZ1 LYS 32 24.327 -27.084 -1.053 293 HZ2 LYS 32 HZ2 LYS 32 25.612 -26.736 0.003 294 HZ3 LYS 32 HZ3 LYS 32 25.680 -26.232 -1.618 Start of MODEL 41 1 H1 LYS 1 HT1 LYS 1 20.098 17.609 -0.734 2 H2 LYS 1 HT2 LYS 1 20.673 18.637 0.491 3 H3 LYS 1 HT3 LYS 1 20.788 16.951 0.667 4 HA LYS 1 HA LYS 1 22.137 18.397 -1.533 5 HB2 LYS 1 HB2 LYS 1 22.873 18.126 1.339 6 HB3 LYS 1 HB1 LYS 1 24.156 17.837 0.162 7 HG2 LYS 1 HG2 LYS 1 23.728 20.013 -0.881 8 HG3 LYS 1 HG1 LYS 1 22.394 20.303 0.234 9 HD2 LYS 1 HD2 LYS 1 24.769 19.582 1.711 10 HD3 LYS 1 HD1 LYS 1 25.114 20.939 0.637 11 HE2 LYS 1 HE2 LYS 1 22.736 20.823 2.514 12 HE3 LYS 1 HE1 LYS 1 24.252 21.644 2.887 13 HZ1 LYS 1 HZ1 LYS 1 23.439 22.465 0.351 14 HZ2 LYS 1 HZ2 LYS 1 23.532 23.392 1.772 15 HZ3 LYS 1 HZ3 LYS 1 22.090 22.587 1.371 16 H LYS 2 HN LYS 2 21.860 15.607 0.645 17 HA LYS 2 HA LYS 2 22.465 13.808 -1.553 18 HB2 LYS 2 HB2 LYS 2 24.718 14.259 -0.828 19 HB3 LYS 2 HB1 LYS 2 24.272 14.022 0.864 20 HG2 LYS 2 HG2 LYS 2 23.939 11.690 0.561 21 HG3 LYS 2 HG1 LYS 2 23.909 11.841 -1.195 22 HD2 LYS 2 HD2 LYS 2 26.067 10.914 -0.326 23 HD3 LYS 2 HD1 LYS 2 26.272 12.411 -1.237 24 HE2 LYS 2 HE2 LYS 2 25.884 12.519 1.743 25 HE3 LYS 2 HE1 LYS 2 27.477 12.155 1.076 26 HZ1 LYS 2 HZ1 LYS 2 26.630 14.263 -0.407 27 HZ2 LYS 2 HZ2 LYS 2 27.705 14.347 0.904 28 HZ3 LYS 2 HZ3 LYS 2 26.048 14.641 1.140 29 H HIS 3 HN HIS 3 22.142 11.538 -0.948 30 HA HIS 3 HA HIS 3 19.775 10.963 0.246 31 HB2 HIS 3 HB2 HIS 3 21.048 9.283 -0.970 32 HB3 HIS 3 HB1 HIS 3 22.272 9.252 0.298 33 HD2 HIS 3 HD2 HIS 3 21.490 6.482 0.785 34 HE1 HIS 3 HE1 HIS 3 17.807 7.518 2.567 35 HE2 HIS 3 HE2 HIS 3 19.449 5.622 2.169 36 H THR 4 HN THR 4 22.376 9.550 2.072 37 HA THR 4 HA THR 4 21.824 11.190 4.425 38 HB THR 4 HB THR 4 20.125 9.452 4.604 39 HG1 THR 4 HG1 THR 4 20.708 8.758 6.608 40 HG21 THR 4 HG21 THR 4 20.471 7.334 3.927 41 HG22 THR 4 HG22 THR 4 21.898 7.176 4.944 42 HG23 THR 4 HG23 THR 4 22.042 7.859 3.325 43 H ILE 5 HN ILE 5 22.973 8.445 5.644 44 HA ILE 5 HA ILE 5 25.763 9.343 5.400 45 HB ILE 5 HB ILE 5 26.041 7.681 7.353 46 HG12 ILE 5 HG12 ILE 5 23.212 8.131 8.041 47 HG13 ILE 5 HG11 ILE 5 23.455 7.014 6.697 48 HG21 ILE 5 HG21 ILE 5 24.692 9.465 8.842 49 HG22 ILE 5 HG22 ILE 5 24.713 10.347 7.315 50 HG23 ILE 5 HG23 ILE 5 26.228 9.855 8.073 51 HD11 ILE 5 HD11 ILE 5 24.844 5.586 8.005 52 HD12 ILE 5 HD12 ILE 5 23.457 5.967 9.026 53 HD13 ILE 5 HD13 ILE 5 24.996 6.789 9.285 54 H TRP 6 HN TRP 6 23.618 6.710 4.648 55 HA TRP 6 HA TRP 6 25.187 4.516 4.342 56 HB2 TRP 6 HB2 TRP 6 22.799 5.530 3.077 57 HB3 TRP 6 HB1 TRP 6 23.796 4.678 1.901 58 HD1 TRP 6 HD1 TRP 6 22.679 2.382 1.736 59 HE1 TRP 6 HE1 TRP 6 22.093 0.511 3.404 60 HE3 TRP 6 HE3 TRP 6 23.712 4.769 6.120 61 HZ2 TRP 6 HZ2 TRP 6 22.065 0.086 6.226 62 HZ3 TRP 6 HZ3 TRP 6 23.398 3.612 8.288 63 HH2 TRP 6 HH2 TRP 6 22.575 1.272 8.348 64 H GLU 7 HN GLU 7 24.710 6.704 1.568 65 HA GLU 7 HA GLU 7 26.751 5.803 -0.027 66 HB2 GLU 7 HB2 GLU 7 25.508 8.501 0.344 67 HB3 GLU 7 HB1 GLU 7 26.876 8.317 -0.751 68 HG2 GLU 7 HG2 GLU 7 25.666 6.540 -1.964 69 HG3 GLU 7 HG1 GLU 7 24.294 6.734 -0.873 70 H VAL 8 HN VAL 8 27.107 7.258 3.024 71 HA VAL 8 HA VAL 8 29.859 8.115 2.454 72 HB VAL 8 HB VAL 8 28.499 8.468 5.108 73 HG11 VAL 8 HG11 VAL 8 31.021 8.967 4.354 74 HG12 VAL 8 HG12 VAL 8 30.163 10.009 5.489 75 HG13 VAL 8 HG13 VAL 8 30.277 10.464 3.789 76 HG21 VAL 8 HG21 VAL 8 28.247 10.257 2.665 77 HG22 VAL 8 HG22 VAL 8 27.674 10.655 4.284 78 HG23 VAL 8 HG23 VAL 8 26.937 9.327 3.388 79 H ILE 9 HN ILE 9 28.009 5.831 4.418 80 HA ILE 9 HA ILE 9 30.545 4.566 5.235 81 HB ILE 9 HB ILE 9 29.612 5.125 7.249 82 HG12 ILE 9 HG12 ILE 9 29.522 2.459 6.762 83 HG13 ILE 9 HG11 ILE 9 29.096 3.178 8.302 84 HG21 ILE 9 HG21 ILE 9 26.934 4.821 5.911 85 HG22 ILE 9 HG22 ILE 9 27.704 6.285 6.523 86 HG23 ILE 9 HG23 ILE 9 27.107 5.077 7.651 87 HD11 ILE 9 HD11 ILE 9 27.416 1.505 7.319 88 HD12 ILE 9 HD12 ILE 9 27.015 2.758 6.152 89 HD13 ILE 9 HD13 ILE 9 26.769 3.048 7.870 90 H ALA 10 HN ALA 10 27.221 3.963 4.177 91 HA ALA 10 HA ALA 10 27.586 1.150 3.806 92 HB1 ALA 10 HB1 ALA 10 25.563 3.004 2.523 93 HB2 ALA 10 HB2 ALA 10 25.359 2.196 4.077 94 HB3 ALA 10 HB3 ALA 10 25.465 1.245 2.597 95 H GLY 11 HN GLY 11 27.000 3.644 1.309 96 HA2 GLY 11 HA2 GLY 11 27.839 2.183 -0.887 97 HA3 GLY 11 HA1 GLY 11 27.961 3.940 -0.771 98 H LEU 12 HN LEU 12 29.623 3.280 1.768 99 HA LEU 12 HA LEU 12 32.180 3.117 0.344 100 HB2 LEU 12 HB2 LEU 12 31.634 5.064 1.897 101 HB3 LEU 12 HB1 LEU 12 31.761 3.909 3.225 102 HG LEU 12 HG LEU 12 34.046 3.349 1.846 103 HD11 LEU 12 HD11 LEU 12 33.605 5.226 0.274 104 HD12 LEU 12 HD12 LEU 12 35.082 5.478 1.206 105 HD13 LEU 12 HD13 LEU 12 33.607 6.344 1.637 106 HD21 LEU 12 HD21 LEU 12 33.595 5.441 3.997 107 HD22 LEU 12 HD22 LEU 12 35.173 4.776 3.578 108 HD23 LEU 12 HD23 LEU 12 33.924 3.727 4.250 109 H VAL 13 HN VAL 13 30.163 1.491 2.673 110 HA VAL 13 HA VAL 13 32.276 -0.545 3.074 111 HB VAL 13 HB VAL 13 29.972 0.142 4.915 112 HG11 VAL 13 HG11 VAL 13 31.321 -1.389 6.459 113 HG12 VAL 13 HG12 VAL 13 32.192 -1.909 5.017 114 HG13 VAL 13 HG13 VAL 13 30.455 -2.183 5.143 115 HG21 VAL 13 HG21 VAL 13 31.492 1.298 6.251 116 HG22 VAL 13 HG22 VAL 13 32.106 1.695 4.647 117 HG23 VAL 13 HG23 VAL 13 32.881 0.429 5.600 118 H ALA 14 HN ALA 14 28.717 -0.200 3.051 119 HA ALA 14 HA ALA 14 27.959 -2.812 2.782 120 HB1 ALA 14 HB1 ALA 14 26.855 -0.366 1.390 121 HB2 ALA 14 HB2 ALA 14 26.270 -1.117 2.874 122 HB3 ALA 14 HB3 ALA 14 26.072 -1.944 1.330 123 H LEU 15 HN LEU 15 29.180 -0.681 0.220 124 HA LEU 15 HA LEU 15 28.892 -2.601 -1.865 125 HB2 LEU 15 HB2 LEU 15 29.123 -0.149 -2.263 126 HB3 LEU 15 HB1 LEU 15 30.791 -0.243 -1.708 127 HG LEU 15 HG LEU 15 31.286 -1.876 -3.517 128 HD11 LEU 15 HD11 LEU 15 29.375 -1.739 -5.383 129 HD12 LEU 15 HD12 LEU 15 28.348 -1.544 -3.962 130 HD13 LEU 15 HD13 LEU 15 29.352 -2.982 -4.132 131 HD21 LEU 15 HD21 LEU 15 31.857 0.314 -4.127 132 HD22 LEU 15 HD22 LEU 15 30.177 0.848 -4.152 133 HD23 LEU 15 HD23 LEU 15 30.794 -0.180 -5.445 134 H LEU 16 HN LEU 16 31.365 -1.852 0.488 135 HA LEU 16 HA LEU 16 33.256 -3.734 -0.703 136 HB2 LEU 16 HB2 LEU 16 33.589 -2.232 1.890 137 HB3 LEU 16 HB1 LEU 16 34.845 -2.896 0.843 138 HG LEU 16 HG LEU 16 32.997 -0.582 0.198 139 HD11 LEU 16 HD11 LEU 16 35.014 -0.241 1.743 140 HD12 LEU 16 HD12 LEU 16 34.952 0.780 0.306 141 HD13 LEU 16 HD13 LEU 16 36.017 -0.625 0.343 142 HD21 LEU 16 HD21 LEU 16 34.922 -2.194 -1.468 143 HD22 LEU 16 HD22 LEU 16 34.613 -0.501 -1.850 144 HD23 LEU 16 HD23 LEU 16 33.288 -1.665 -1.869 145 H THR 17 HN THR 17 30.586 -3.978 1.161 146 HA THR 17 HA THR 17 31.636 -6.298 2.664 147 HB THR 17 HB THR 17 29.750 -4.128 3.451 148 HG1 THR 17 HG1 THR 17 31.710 -5.707 4.745 149 HG21 THR 17 HG21 THR 17 28.984 -5.732 5.316 150 HG22 THR 17 HG22 THR 17 29.519 -7.029 4.249 151 HG23 THR 17 HG23 THR 17 28.240 -5.930 3.732 152 H PHE 18 HN PHE 18 28.503 -4.997 1.549 153 HA PHE 18 HA PHE 18 27.033 -7.286 1.410 154 HB2 PHE 18 HB2 PHE 18 26.442 -4.842 0.715 155 HB3 PHE 18 HB1 PHE 18 26.925 -5.368 -0.899 156 HD1 PHE 18 HD2 PHE 18 24.568 -5.959 1.894 157 HD2 PHE 18 HD1 PHE 18 25.600 -6.944 -2.156 158 HE1 PHE 18 HE2 PHE 18 22.379 -7.087 1.610 159 HE2 PHE 18 HE1 PHE 18 23.412 -8.072 -2.441 160 HZ PHE 18 HZ PHE 18 21.799 -8.145 -0.557 161 H LEU 19 HN LEU 19 29.412 -6.165 -0.965 162 HA LEU 19 HA LEU 19 28.939 -8.347 -2.780 163 HB2 LEU 19 HB2 LEU 19 31.015 -6.179 -2.570 164 HB3 LEU 19 HB1 LEU 19 31.197 -7.487 -3.735 165 HG LEU 19 HG LEU 19 30.044 -5.434 -4.649 166 HD11 LEU 19 HD11 LEU 19 28.970 -6.792 -6.098 167 HD12 LEU 19 HD12 LEU 19 27.861 -7.357 -4.851 168 HD13 LEU 19 HD13 LEU 19 29.430 -8.134 -5.053 169 HD21 LEU 19 HD21 LEU 19 28.820 -5.054 -2.426 170 HD22 LEU 19 HD22 LEU 19 27.707 -6.315 -2.952 171 HD23 LEU 19 HD23 LEU 19 27.869 -4.835 -3.894 172 H ALA 20 HN ALA 20 30.866 -7.871 0.046 173 HA ALA 20 HA ALA 20 32.693 -10.052 -0.562 174 HB1 ALA 20 HB1 ALA 20 33.971 -9.030 0.967 175 HB2 ALA 20 HB2 ALA 20 32.738 -9.288 2.202 176 HB3 ALA 20 HB3 ALA 20 32.696 -7.835 1.203 177 H PHE 21 HN PHE 21 30.071 -9.398 1.752 178 HA PHE 21 HA PHE 21 30.097 -12.124 2.727 179 HB2 PHE 21 HB2 PHE 21 28.315 -9.746 3.272 180 HB3 PHE 21 HB1 PHE 21 28.069 -11.326 4.012 181 HD1 PHE 21 HD2 PHE 21 30.788 -8.809 3.427 182 HD2 PHE 21 HD1 PHE 21 29.143 -11.799 6.035 183 HE1 PHE 21 HE2 PHE 21 32.517 -8.280 5.124 184 HE2 PHE 21 HE1 PHE 21 30.871 -11.272 7.732 185 HZ PHE 21 HZ PHE 21 32.558 -9.512 7.275 186 H GLY 22 HN GLY 22 27.974 -10.090 0.735 187 HA2 GLY 22 HA2 GLY 22 25.880 -11.905 0.343 188 HA3 GLY 22 HA1 GLY 22 26.338 -10.640 -0.792 189 H PHE 23 HN PHE 23 28.899 -11.472 -1.497 190 HA PHE 23 HA PHE 23 28.382 -13.310 -3.529 191 HB2 PHE 23 HB2 PHE 23 30.281 -12.035 -3.915 192 HB3 PHE 23 HB1 PHE 23 30.870 -12.232 -2.261 193 HD1 PHE 23 HD2 PHE 23 30.234 -14.117 -5.424 194 HD2 PHE 23 HD1 PHE 23 32.401 -13.928 -1.719 195 HE1 PHE 23 HE2 PHE 23 31.615 -16.051 -6.130 196 HE2 PHE 23 HE1 PHE 23 33.780 -15.861 -2.427 197 HZ PHE 23 HZ PHE 23 33.388 -16.925 -4.635 198 H TRP 24 HN TRP 24 28.715 -13.818 -0.220 199 HA TRP 24 HA TRP 24 29.403 -16.662 -0.608 200 HB2 TRP 24 HB2 TRP 24 30.968 -15.626 0.893 201 HB3 TRP 24 HB1 TRP 24 29.662 -14.884 1.820 202 HD1 TRP 24 HD1 TRP 24 30.416 -18.492 0.647 203 HE1 TRP 24 HE1 TRP 24 30.006 -20.086 2.634 204 HE3 TRP 24 HE3 TRP 24 29.035 -15.116 4.199 205 HZ2 TRP 24 HZ2 TRP 24 29.196 -19.940 5.370 206 HZ3 TRP 24 HZ3 TRP 24 28.446 -15.862 6.492 207 HH2 TRP 24 HH2 TRP 24 28.525 -18.268 7.079 208 H LEU 25 HN LEU 25 27.728 -14.920 1.964 209 HA LEU 25 HA LEU 25 26.005 -16.548 3.023 210 HB2 LEU 25 HB2 LEU 25 25.649 -13.766 2.108 211 HB3 LEU 25 HB1 LEU 25 24.165 -14.628 2.523 212 HG LEU 25 HG LEU 25 26.579 -14.692 4.327 213 HD11 LEU 25 HD11 LEU 25 25.611 -12.825 5.588 214 HD12 LEU 25 HD12 LEU 25 24.294 -12.698 4.423 215 HD13 LEU 25 HD13 LEU 25 25.945 -12.321 3.932 216 HD21 LEU 25 HD21 LEU 25 24.156 -16.050 4.356 217 HD22 LEU 25 HD22 LEU 25 23.876 -14.712 5.469 218 HD23 LEU 25 HD23 LEU 25 25.217 -15.822 5.745 219 H PHE 26 HN PHE 26 25.072 -15.059 -0.103 220 HA PHE 26 HA PHE 26 22.885 -16.887 -0.413 221 HB2 PHE 26 HB2 PHE 26 24.099 -15.288 -2.651 222 HB3 PHE 26 HB1 PHE 26 22.417 -15.760 -2.420 223 HD1 PHE 26 HD2 PHE 26 21.574 -15.021 0.116 224 HD2 PHE 26 HD1 PHE 26 24.477 -13.012 -2.333 225 HE1 PHE 26 HE2 PHE 26 21.133 -12.906 1.327 226 HE2 PHE 26 HE1 PHE 26 24.037 -10.897 -1.115 227 HZ PHE 26 HZ PHE 26 22.371 -10.847 0.717 228 H LYS 27 HN LYS 27 25.931 -16.460 -2.223 229 HA LYS 27 HA LYS 27 25.600 -18.731 -3.837 230 HB2 LYS 27 HB2 LYS 27 28.290 -17.635 -3.004 231 HB3 LYS 27 HB1 LYS 27 27.872 -18.457 -4.503 232 HG2 LYS 27 HG2 LYS 27 26.565 -15.829 -3.759 233 HG3 LYS 27 HG1 LYS 27 28.121 -15.870 -4.563 234 HD2 LYS 27 HD2 LYS 27 25.804 -17.424 -5.686 235 HD3 LYS 27 HD1 LYS 27 25.970 -15.703 -6.010 236 HE2 LYS 27 HE2 LYS 27 27.708 -16.018 -7.428 237 HE3 LYS 27 HE1 LYS 27 28.462 -17.228 -6.391 238 HZ1 LYS 27 HZ1 LYS 27 26.412 -18.630 -7.168 239 HZ2 LYS 27 HZ2 LYS 27 27.814 -18.527 -8.122 240 HZ3 LYS 27 HZ3 LYS 27 26.458 -17.573 -8.495 241 H TYR 28 HN TYR 28 25.719 -18.813 -0.615 242 HA TYR 28 HA TYR 28 27.021 -21.469 -0.595 243 HB2 TYR 28 HB2 TYR 28 28.543 -20.608 0.828 244 HB3 TYR 28 HB1 TYR 28 27.606 -19.140 1.079 245 HD1 TYR 28 HD2 TYR 28 27.460 -22.799 1.892 246 HD2 TYR 28 HD1 TYR 28 26.657 -18.781 3.181 247 HE1 TYR 28 HE2 TYR 28 26.705 -23.654 4.097 248 HE2 TYR 28 HE1 TYR 28 25.903 -19.633 5.382 249 HH TYR 28 HH TYR 28 25.028 -22.673 5.971 250 H LEU 29 HN LEU 29 24.661 -19.316 0.967 251 HA LEU 29 HA LEU 29 23.341 -21.627 2.185 252 HB2 LEU 29 HB2 LEU 29 23.773 -19.160 3.168 253 HB3 LEU 29 HB1 LEU 29 22.182 -18.908 2.450 254 HG LEU 29 HG LEU 29 22.903 -21.111 4.403 255 HD11 LEU 29 HD11 LEU 29 21.251 -19.817 5.853 256 HD12 LEU 29 HD12 LEU 29 21.405 -18.501 4.690 257 HD13 LEU 29 HD13 LEU 29 22.817 -19.044 5.598 258 HD21 LEU 29 HD21 LEU 29 20.455 -20.451 2.796 259 HD22 LEU 29 HD22 LEU 29 20.258 -21.155 4.401 260 HD23 LEU 29 HD23 LEU 29 21.157 -22.027 3.160 261 H GLN 30 HN GLN 30 22.754 -19.140 -0.241 262 HA GLN 30 HA GLN 30 20.065 -20.114 -0.772 263 HB2 GLN 30 HB2 GLN 30 20.428 -17.737 -0.956 264 HB3 GLN 30 HB1 GLN 30 21.756 -17.981 -2.085 265 HG2 GLN 30 HG2 GLN 30 20.375 -18.537 -3.836 266 HG3 GLN 30 HG1 GLN 30 19.097 -19.138 -2.780 267 HE21 GLN 30 HE21 GLN 30 20.419 -16.075 -1.824 268 HE22 GLN 30 HE22 GLN 30 19.154 -15.110 -2.415 269 H LYS 31 HN LYS 31 23.203 -20.937 -1.696 270 HA LYS 31 HA LYS 31 22.243 -22.234 -4.178 271 HB2 LYS 31 HB2 LYS 31 24.813 -20.906 -3.453 272 HB3 LYS 31 HB1 LYS 31 24.887 -22.310 -4.517 273 HG2 LYS 31 HG2 LYS 31 24.672 -20.129 -5.744 274 HG3 LYS 31 HG1 LYS 31 23.374 -21.269 -6.097 275 HD2 LYS 31 HD2 LYS 31 21.796 -20.057 -4.906 276 HD3 LYS 31 HD1 LYS 31 23.000 -19.328 -3.844 277 HE2 LYS 31 HE2 LYS 31 23.500 -17.654 -5.342 278 HE3 LYS 31 HE1 LYS 31 23.164 -18.663 -6.749 279 HZ1 LYS 31 HZ1 LYS 31 21.326 -17.379 -6.805 280 HZ2 LYS 31 HZ2 LYS 31 21.348 -17.052 -5.138 281 HZ3 LYS 31 HZ3 LYS 31 20.747 -18.536 -5.708 282 H LYS 32 HN LYS 32 21.465 -23.966 -2.722 283 HA LYS 32 HA LYS 32 23.579 -25.946 -2.351 284 HB2 LYS 32 HB2 LYS 32 22.380 -26.489 -0.069 285 HB3 LYS 32 HB1 LYS 32 23.638 -25.257 -0.143 286 HG2 LYS 32 HG2 LYS 32 21.630 -24.472 1.097 287 HG3 LYS 32 HG1 LYS 32 21.947 -23.497 -0.338 288 HD2 LYS 32 HD2 LYS 32 20.188 -24.520 -1.558 289 HD3 LYS 32 HD1 LYS 32 20.067 -25.859 -0.418 290 HE2 LYS 32 HE2 LYS 32 19.307 -24.259 1.334 291 HE3 LYS 32 HE1 LYS 32 19.344 -22.967 0.133 292 HZ1 LYS 32 HZ1 LYS 32 17.129 -24.009 0.460 293 HZ2 LYS 32 HZ2 LYS 32 17.757 -25.454 -0.174 294 HZ3 LYS 32 HZ3 LYS 32 17.685 -24.059 -1.141 Start of MODEL 42 1 H1 LYS 1 HT1 LYS 1 24.468 16.205 -0.460 2 H2 LYS 1 HT2 LYS 1 23.697 17.706 -0.264 3 H3 LYS 1 HT3 LYS 1 24.709 17.435 -1.601 4 HA LYS 1 HA LYS 1 21.981 16.471 -1.100 5 HB2 LYS 1 HB2 LYS 1 23.526 17.719 -3.375 6 HB3 LYS 1 HB1 LYS 1 21.955 16.959 -3.635 7 HG2 LYS 1 HG2 LYS 1 20.925 18.449 -1.990 8 HG3 LYS 1 HG1 LYS 1 22.494 19.174 -1.637 9 HD2 LYS 1 HD2 LYS 1 22.656 20.100 -3.849 10 HD3 LYS 1 HD1 LYS 1 21.257 19.178 -4.400 11 HE2 LYS 1 HE2 LYS 1 20.646 20.797 -2.048 12 HE3 LYS 1 HE1 LYS 1 21.204 21.777 -3.403 13 HZ1 LYS 1 HZ1 LYS 1 18.697 21.013 -3.142 14 HZ2 LYS 1 HZ2 LYS 1 19.282 19.666 -3.997 15 HZ3 LYS 1 HZ3 LYS 1 19.426 21.224 -4.660 16 H LYS 2 HN LYS 2 23.148 14.375 -0.392 17 HA LYS 2 HA LYS 2 23.140 12.582 -2.700 18 HB2 LYS 2 HB2 LYS 2 25.512 13.236 -2.432 19 HB3 LYS 2 HB1 LYS 2 25.464 12.677 -0.760 20 HG2 LYS 2 HG2 LYS 2 24.988 10.406 -1.471 21 HG3 LYS 2 HG1 LYS 2 24.833 10.924 -3.151 22 HD2 LYS 2 HD2 LYS 2 27.047 9.918 -2.755 23 HD3 LYS 2 HD1 LYS 2 27.200 11.630 -3.153 24 HE2 LYS 2 HE2 LYS 2 27.759 12.229 -0.973 25 HE3 LYS 2 HE1 LYS 2 26.962 10.820 -0.273 26 HZ1 LYS 2 HZ1 LYS 2 28.701 9.433 -1.298 27 HZ2 LYS 2 HZ2 LYS 2 29.321 10.530 -0.159 28 HZ3 LYS 2 HZ3 LYS 2 29.496 10.838 -1.820 29 H HIS 3 HN HIS 3 21.253 11.685 -1.861 30 HA HIS 3 HA HIS 3 19.907 10.495 -0.399 31 HB2 HIS 3 HB2 HIS 3 21.416 8.804 -1.479 32 HB3 HIS 3 HB1 HIS 3 22.465 8.915 -0.065 33 HD2 HIS 3 HD2 HIS 3 21.597 6.130 0.413 34 HE1 HIS 3 HE1 HIS 3 17.826 7.318 1.892 35 HE2 HIS 3 HE2 HIS 3 19.450 5.376 1.694 36 H THR 4 HN THR 4 21.817 8.952 1.692 37 HA THR 4 HA THR 4 21.598 11.061 3.760 38 HB THR 4 HB THR 4 19.988 9.333 4.235 39 HG1 THR 4 HG1 THR 4 22.204 9.721 5.751 40 HG21 THR 4 HG21 THR 4 20.318 7.236 3.504 41 HG22 THR 4 HG22 THR 4 21.633 7.042 4.659 42 HG23 THR 4 HG23 THR 4 21.966 7.648 3.036 43 H ILE 5 HN ILE 5 22.910 8.314 5.032 44 HA ILE 5 HA ILE 5 25.656 9.348 4.698 45 HB ILE 5 HB ILE 5 26.029 7.939 6.829 46 HG12 ILE 5 HG12 ILE 5 23.208 8.436 7.533 47 HG13 ILE 5 HG11 ILE 5 23.444 7.152 6.347 48 HG21 ILE 5 HG21 ILE 5 26.167 10.283 7.041 49 HG22 ILE 5 HG22 ILE 5 24.924 9.837 8.210 50 HG23 ILE 5 HG23 ILE 5 24.465 10.510 6.645 51 HD11 ILE 5 HD11 ILE 5 24.845 5.912 7.800 52 HD12 ILE 5 HD12 ILE 5 23.522 6.470 8.825 53 HD13 ILE 5 HD13 ILE 5 25.083 7.289 8.874 54 H TRP 6 HN TRP 6 23.558 6.660 4.192 55 HA TRP 6 HA TRP 6 25.171 4.454 4.176 56 HB2 TRP 6 HB2 TRP 6 22.749 5.256 2.840 57 HB3 TRP 6 HB1 TRP 6 23.757 4.317 1.740 58 HD1 TRP 6 HD1 TRP 6 22.752 1.970 1.831 59 HE1 TRP 6 HE1 TRP 6 22.229 0.273 3.693 60 HE3 TRP 6 HE3 TRP 6 23.671 4.864 5.926 61 HZ2 TRP 6 HZ2 TRP 6 22.203 0.161 6.546 62 HZ3 TRP 6 HZ3 TRP 6 23.387 3.939 8.210 63 HH2 TRP 6 HH2 TRP 6 22.656 1.591 8.525 64 H GLU 7 HN GLU 7 24.770 6.654 1.389 65 HA GLU 7 HA GLU 7 26.744 5.506 -0.228 66 HB2 GLU 7 HB2 GLU 7 25.122 7.893 -0.211 67 HB3 GLU 7 HB1 GLU 7 26.750 8.254 -0.784 68 HG2 GLU 7 HG2 GLU 7 25.065 5.958 -1.814 69 HG3 GLU 7 HG1 GLU 7 25.168 7.529 -2.604 70 H VAL 8 HN VAL 8 27.147 7.030 2.716 71 HA VAL 8 HA VAL 8 29.877 7.935 2.073 72 HB VAL 8 HB VAL 8 28.427 8.450 4.664 73 HG11 VAL 8 HG11 VAL 8 30.976 8.796 4.231 74 HG12 VAL 8 HG12 VAL 8 30.063 10.098 4.994 75 HG13 VAL 8 HG13 VAL 8 30.457 10.186 3.277 76 HG21 VAL 8 HG21 VAL 8 28.406 10.134 2.136 77 HG22 VAL 8 HG22 VAL 8 27.730 10.614 3.692 78 HG23 VAL 8 HG23 VAL 8 27.016 9.273 2.797 79 H ILE 9 HN ILE 9 28.023 5.811 4.204 80 HA ILE 9 HA ILE 9 30.551 4.602 5.123 81 HB ILE 9 HB ILE 9 29.568 5.317 7.073 82 HG12 ILE 9 HG12 ILE 9 29.549 2.616 6.781 83 HG13 ILE 9 HG11 ILE 9 29.109 3.437 8.264 84 HG21 ILE 9 HG21 ILE 9 26.919 4.831 5.731 85 HG22 ILE 9 HG22 ILE 9 27.639 6.361 6.228 86 HG23 ILE 9 HG23 ILE 9 27.061 5.233 7.446 87 HD11 ILE 9 HD11 ILE 9 27.041 2.799 6.153 88 HD12 ILE 9 HD12 ILE 9 26.782 3.228 7.838 89 HD13 ILE 9 HD13 ILE 9 27.468 1.659 7.423 90 H ALA 10 HN ALA 10 27.222 3.883 4.114 91 HA ALA 10 HA ALA 10 27.655 1.061 3.920 92 HB1 ALA 10 HB1 ALA 10 25.567 2.744 2.517 93 HB2 ALA 10 HB2 ALA 10 25.410 2.123 4.161 94 HB3 ALA 10 HB3 ALA 10 25.505 1.004 2.801 95 H GLY 11 HN GLY 11 27.020 3.418 1.304 96 HA2 GLY 11 HA2 GLY 11 27.825 1.829 -0.820 97 HA3 GLY 11 HA1 GLY 11 27.925 3.587 -0.813 98 H LEU 12 HN LEU 12 29.638 3.047 1.745 99 HA LEU 12 HA LEU 12 32.170 2.831 0.274 100 HB2 LEU 12 HB2 LEU 12 31.611 4.889 1.698 101 HB3 LEU 12 HB1 LEU 12 31.840 3.837 3.096 102 HG LEU 12 HG LEU 12 34.073 3.236 1.673 103 HD11 LEU 12 HD11 LEU 12 35.002 5.271 0.725 104 HD12 LEU 12 HD12 LEU 12 33.581 6.194 1.216 105 HD13 LEU 12 HD13 LEU 12 33.443 4.962 -0.039 106 HD21 LEU 12 HD21 LEU 12 34.002 3.873 4.041 107 HD22 LEU 12 HD22 LEU 12 33.689 5.551 3.599 108 HD23 LEU 12 HD23 LEU 12 35.242 4.811 3.208 109 H VAL 13 HN VAL 13 30.216 1.353 2.747 110 HA VAL 13 HA VAL 13 32.404 -0.557 3.330 111 HB VAL 13 HB VAL 13 29.982 0.153 5.000 112 HG11 VAL 13 HG11 VAL 13 31.314 -1.314 6.678 113 HG12 VAL 13 HG12 VAL 13 32.119 -1.958 5.246 114 HG13 VAL 13 HG13 VAL 13 30.372 -2.130 5.429 115 HG21 VAL 13 HG21 VAL 13 32.113 1.691 4.806 116 HG22 VAL 13 HG22 VAL 13 32.868 0.447 5.801 117 HG23 VAL 13 HG23 VAL 13 31.457 1.319 6.400 118 H ALA 14 HN ALA 14 28.849 -0.412 3.003 119 HA ALA 14 HA ALA 14 28.237 -3.072 2.898 120 HB1 ALA 14 HB1 ALA 14 26.859 -1.799 0.725 121 HB2 ALA 14 HB2 ALA 14 26.986 -0.666 2.070 122 HB3 ALA 14 HB3 ALA 14 26.237 -2.243 2.314 123 H LEU 15 HN LEU 15 29.410 -1.092 0.178 124 HA LEU 15 HA LEU 15 29.474 -3.187 -1.720 125 HB2 LEU 15 HB2 LEU 15 31.239 -0.727 -1.599 126 HB3 LEU 15 HB1 LEU 15 30.893 -1.703 -3.030 127 HG LEU 15 HG LEU 15 28.832 -0.193 -1.405 128 HD11 LEU 15 HD11 LEU 15 28.974 1.541 -2.897 129 HD12 LEU 15 HD12 LEU 15 29.375 0.479 -4.247 130 HD13 LEU 15 HD13 LEU 15 30.622 0.947 -3.093 131 HD21 LEU 15 HD21 LEU 15 27.551 -0.739 -3.664 132 HD22 LEU 15 HD22 LEU 15 27.607 -1.919 -2.356 133 HD23 LEU 15 HD23 LEU 15 28.698 -2.076 -3.732 134 H LEU 16 HN LEU 16 31.641 -2.155 0.790 135 HA LEU 16 HA LEU 16 33.711 -4.043 -0.076 136 HB2 LEU 16 HB2 LEU 16 33.822 -2.209 2.313 137 HB3 LEU 16 HB1 LEU 16 35.167 -2.943 1.437 138 HG LEU 16 HG LEU 16 33.278 -0.814 0.399 139 HD11 LEU 16 HD11 LEU 16 36.285 -0.690 0.631 140 HD12 LEU 16 HD12 LEU 16 35.243 -0.243 1.982 141 HD13 LEU 16 HD13 LEU 16 35.141 0.642 0.461 142 HD21 LEU 16 HD21 LEU 16 33.707 -2.164 -1.482 143 HD22 LEU 16 HD22 LEU 16 35.349 -2.537 -0.952 144 HD23 LEU 16 HD23 LEU 16 34.966 -0.931 -1.574 145 H THR 17 HN THR 17 30.928 -4.333 1.457 146 HA THR 17 HA THR 17 31.905 -6.506 3.170 147 HB THR 17 HB THR 17 30.144 -4.225 4.064 148 HG1 THR 17 HG1 THR 17 32.670 -4.757 4.316 149 HG21 THR 17 HG21 THR 17 29.988 -5.674 6.198 150 HG22 THR 17 HG22 THR 17 30.425 -7.023 5.148 151 HG23 THR 17 HG23 THR 17 28.949 -6.106 4.840 152 H PHE 18 HN PHE 18 28.741 -4.946 2.756 153 HA PHE 18 HA PHE 18 27.156 -7.170 2.698 154 HB2 PHE 18 HB2 PHE 18 26.550 -4.644 2.504 155 HB3 PHE 18 HB1 PHE 18 26.615 -4.934 0.767 156 HD1 PHE 18 HD1 PHE 18 25.228 -6.511 3.876 157 HD2 PHE 18 HD2 PHE 18 24.658 -5.653 -0.293 158 HE1 PHE 18 HE1 PHE 18 22.973 -7.535 3.974 159 HE2 PHE 18 HE2 PHE 18 22.403 -6.677 -0.196 160 HZ PHE 18 HZ PHE 18 21.559 -7.618 1.938 161 H LEU 19 HN LEU 19 28.940 -5.773 -0.030 162 HA LEU 19 HA LEU 19 27.962 -7.774 -1.883 163 HB2 LEU 19 HB2 LEU 19 29.887 -5.474 -2.040 164 HB3 LEU 19 HB1 LEU 19 29.848 -6.673 -3.328 165 HG LEU 19 HG LEU 19 28.350 -4.669 -3.712 166 HD11 LEU 19 HD11 LEU 19 26.325 -6.746 -3.571 167 HD12 LEU 19 HD12 LEU 19 27.843 -7.397 -4.185 168 HD13 LEU 19 HD13 LEU 19 27.082 -6.027 -4.990 169 HD21 LEU 19 HD21 LEU 19 26.420 -4.338 -2.372 170 HD22 LEU 19 HD22 LEU 19 27.725 -4.610 -1.221 171 HD23 LEU 19 HD23 LEU 19 26.594 -5.908 -1.589 172 H ALA 20 HN ALA 20 30.426 -7.606 0.443 173 HA ALA 20 HA ALA 20 32.208 -9.467 -0.925 174 HB1 ALA 20 HB1 ALA 20 32.382 -8.531 1.942 175 HB2 ALA 20 HB2 ALA 20 33.006 -7.588 0.591 176 HB3 ALA 20 HB3 ALA 20 33.674 -9.183 0.936 177 H PHE 21 HN PHE 21 30.119 -9.430 1.959 178 HA PHE 21 HA PHE 21 30.503 -12.285 2.368 179 HB2 PHE 21 HB2 PHE 21 28.821 -10.214 3.791 180 HB3 PHE 21 HB1 PHE 21 28.857 -11.920 4.240 181 HD1 PHE 21 HD1 PHE 21 30.971 -8.884 3.828 182 HD2 PHE 21 HD2 PHE 21 30.668 -12.833 5.490 183 HE1 PHE 21 HE1 PHE 21 33.056 -8.503 5.113 184 HE2 PHE 21 HE2 PHE 21 32.753 -12.452 6.776 185 HZ PHE 21 HZ PHE 21 33.946 -10.286 6.587 186 H GLY 22 HN GLY 22 27.978 -10.086 1.240 187 HA2 GLY 22 HA2 GLY 22 25.863 -11.930 1.057 188 HA3 GLY 22 HA1 GLY 22 26.020 -10.466 0.091 189 H PHE 23 HN PHE 23 28.287 -10.949 -1.374 190 HA PHE 23 HA PHE 23 27.364 -12.499 -3.492 191 HB2 PHE 23 HB2 PHE 23 29.038 -11.013 -4.101 192 HB3 PHE 23 HB1 PHE 23 30.040 -11.415 -2.704 193 HD1 PHE 23 HD2 PHE 23 28.655 -12.889 -5.851 194 HD2 PHE 23 HD1 PHE 23 31.779 -12.968 -2.904 195 HE1 PHE 23 HE2 PHE 23 29.891 -14.559 -7.204 196 HE2 PHE 23 HE1 PHE 23 33.013 -14.636 -4.255 197 HZ PHE 23 HZ PHE 23 32.069 -15.435 -6.409 198 H TRP 24 HN TRP 24 28.514 -13.489 -0.502 199 HA TRP 24 HA TRP 24 29.246 -16.162 -1.521 200 HB2 TRP 24 HB2 TRP 24 31.052 -15.200 -0.244 201 HB3 TRP 24 HB1 TRP 24 29.954 -14.778 1.072 202 HD1 TRP 24 HD1 TRP 24 30.728 -18.016 -0.894 203 HE1 TRP 24 HE1 TRP 24 30.904 -19.960 0.796 204 HE3 TRP 24 HE3 TRP 24 29.847 -15.488 3.437 205 HZ2 TRP 24 HZ2 TRP 24 30.696 -20.378 3.613 206 HZ3 TRP 24 HZ3 TRP 24 29.838 -16.678 5.615 207 HH2 TRP 24 HH2 TRP 24 30.262 -19.117 5.708 208 H LEU 25 HN LEU 25 28.118 -15.000 1.621 209 HA LEU 25 HA LEU 25 26.781 -16.962 2.710 210 HB2 LEU 25 HB2 LEU 25 26.077 -14.102 2.455 211 HB3 LEU 25 HB1 LEU 25 24.790 -15.163 3.029 212 HG LEU 25 HG LEU 25 27.567 -15.311 4.179 213 HD11 LEU 25 HD11 LEU 25 26.765 -12.971 4.391 214 HD12 LEU 25 HD12 LEU 25 26.850 -13.777 5.957 215 HD13 LEU 25 HD13 LEU 25 25.292 -13.563 5.160 216 HD21 LEU 25 HD21 LEU 25 25.211 -15.758 5.876 217 HD22 LEU 25 HD22 LEU 25 26.643 -16.762 5.660 218 HD23 LEU 25 HD23 LEU 25 25.310 -16.873 4.514 219 H PHE 26 HN PHE 26 25.071 -15.000 0.252 220 HA PHE 26 HA PHE 26 22.949 -16.896 0.079 221 HB2 PHE 26 HB2 PHE 26 23.578 -14.831 -2.016 222 HB3 PHE 26 HB1 PHE 26 22.005 -15.480 -1.554 223 HD1 PHE 26 HD2 PHE 26 21.654 -15.300 1.174 224 HD2 PHE 26 HD1 PHE 26 23.954 -12.644 -1.297 225 HE1 PHE 26 HE2 PHE 26 21.398 -13.510 2.862 226 HE2 PHE 26 HE1 PHE 26 23.702 -10.852 0.397 227 HZ PHE 26 HZ PHE 26 22.427 -11.287 2.477 228 H LYS 27 HN LYS 27 25.601 -16.034 -2.151 229 HA LYS 27 HA LYS 27 24.918 -18.068 -4.021 230 HB2 LYS 27 HB2 LYS 27 27.668 -16.853 -3.765 231 HB3 LYS 27 HB1 LYS 27 26.870 -17.454 -5.213 232 HG2 LYS 27 HG2 LYS 27 25.732 -15.103 -3.682 233 HG3 LYS 27 HG1 LYS 27 26.999 -14.881 -4.873 234 HD2 LYS 27 HD2 LYS 27 24.547 -16.452 -5.603 235 HD3 LYS 27 HD1 LYS 27 24.504 -14.691 -5.617 236 HE2 LYS 27 HE2 LYS 27 25.844 -14.546 -7.452 237 HE3 LYS 27 HE1 LYS 27 26.866 -15.889 -6.942 238 HZ1 LYS 27 HZ1 LYS 27 25.797 -16.877 -8.656 239 HZ2 LYS 27 HZ2 LYS 27 24.404 -15.916 -8.509 240 HZ3 LYS 27 HZ3 LYS 27 24.660 -17.215 -7.444 241 H TYR 28 HN TYR 28 25.380 -18.887 -1.156 242 HA TYR 28 HA TYR 28 27.001 -21.227 -1.801 243 HB2 TYR 28 HB2 TYR 28 28.786 -20.423 -0.682 244 HB3 TYR 28 HB1 TYR 28 27.857 -19.112 0.035 245 HD1 TYR 28 HD2 TYR 28 28.101 -22.853 0.239 246 HD2 TYR 28 HD1 TYR 28 27.548 -19.146 2.341 247 HE1 TYR 28 HE2 TYR 28 28.027 -24.084 2.390 248 HE2 TYR 28 HE1 TYR 28 27.474 -20.378 4.493 249 HH TYR 28 HH TYR 28 27.892 -23.921 4.596 250 H LEU 29 HN LEU 29 25.056 -19.559 0.677 251 HA LEU 29 HA LEU 29 24.180 -22.139 1.735 252 HB2 LEU 29 HB2 LEU 29 24.623 -19.661 2.899 253 HB3 LEU 29 HB1 LEU 29 22.865 -19.782 2.834 254 HG LEU 29 HG LEU 29 24.740 -21.862 3.995 255 HD11 LEU 29 HD11 LEU 29 22.883 -20.939 5.901 256 HD12 LEU 29 HD12 LEU 29 23.486 -19.493 5.090 257 HD13 LEU 29 HD13 LEU 29 24.614 -20.608 5.861 258 HD21 LEU 29 HD21 LEU 29 21.875 -21.864 3.246 259 HD22 LEU 29 HD22 LEU 29 22.223 -22.477 4.862 260 HD23 LEU 29 HD23 LEU 29 22.984 -23.218 3.454 261 H GLN 30 HN GLN 30 22.793 -19.276 0.167 262 HA GLN 30 HA GLN 30 20.131 -20.371 0.096 263 HB2 GLN 30 HB2 GLN 30 20.269 -18.004 0.114 264 HB3 GLN 30 HB1 GLN 30 21.445 -17.988 -1.191 265 HG2 GLN 30 HG2 GLN 30 19.861 -18.522 -2.821 266 HG3 GLN 30 HG1 GLN 30 18.700 -19.115 -1.629 267 HE21 GLN 30 HE21 GLN 30 20.174 -16.248 -0.501 268 HE22 GLN 30 HE22 GLN 30 18.954 -15.165 -0.963 269 H LYS 31 HN LYS 31 22.895 -21.156 -1.519 270 HA LYS 31 HA LYS 31 21.460 -21.966 -3.973 271 HB2 LYS 31 HB2 LYS 31 24.159 -20.934 -3.458 272 HB3 LYS 31 HB1 LYS 31 24.138 -22.376 -4.472 273 HG2 LYS 31 HG2 LYS 31 23.972 -20.386 -5.879 274 HG3 LYS 31 HG1 LYS 31 22.454 -21.281 -5.947 275 HD2 LYS 31 HD2 LYS 31 22.258 -19.495 -3.742 276 HD3 LYS 31 HD1 LYS 31 22.904 -18.569 -5.094 277 HE2 LYS 31 HE2 LYS 31 21.050 -19.513 -6.526 278 HE3 LYS 31 HE1 LYS 31 20.355 -20.204 -5.059 279 HZ1 LYS 31 HZ1 LYS 31 20.495 -17.429 -5.924 280 HZ2 LYS 31 HZ2 LYS 31 20.725 -17.712 -4.264 281 HZ3 LYS 31 HZ3 LYS 31 19.298 -18.227 -5.027 282 H LYS 32 HN LYS 32 23.976 -23.054 -1.698 283 HA LYS 32 HA LYS 32 24.731 -25.185 -1.207 284 HB2 LYS 32 HB2 LYS 32 22.000 -24.846 -0.506 285 HB3 LYS 32 HB1 LYS 32 22.188 -26.497 -1.098 286 HG2 LYS 32 HG2 LYS 32 24.162 -26.762 0.425 287 HG3 LYS 32 HG1 LYS 32 23.815 -25.163 1.085 288 HD2 LYS 32 HD2 LYS 32 21.909 -27.525 1.101 289 HD3 LYS 32 HD1 LYS 32 22.829 -26.945 2.490 290 HE2 LYS 32 HE2 LYS 32 21.683 -24.639 1.903 291 HE3 LYS 32 HE1 LYS 32 20.499 -25.670 1.097 292 HZ1 LYS 32 HZ1 LYS 32 21.167 -26.701 3.655 293 HZ2 LYS 32 HZ2 LYS 32 19.647 -26.255 3.039 294 HZ3 LYS 32 HZ3 LYS 32 20.638 -25.095 3.787 Start of MODEL 43 1 H1 LYS 1 HT1 LYS 1 19.212 16.401 -4.817 2 H2 LYS 1 HT2 LYS 1 18.291 17.306 -3.712 3 H3 LYS 1 HT3 LYS 1 17.671 15.864 -4.357 4 HA LYS 1 HA LYS 1 19.937 16.161 -2.467 5 HB2 LYS 1 HB2 LYS 1 17.087 15.369 -2.297 6 HB3 LYS 1 HB1 LYS 1 18.215 14.338 -1.415 7 HG2 LYS 1 HG2 LYS 1 18.997 16.129 -0.085 8 HG3 LYS 1 HG1 LYS 1 18.334 17.343 -1.179 9 HD2 LYS 1 HD2 LYS 1 16.989 17.050 0.922 10 HD3 LYS 1 HD1 LYS 1 16.066 16.757 -0.553 11 HE2 LYS 1 HE2 LYS 1 16.080 14.426 -0.248 12 HE3 LYS 1 HE1 LYS 1 17.456 14.486 0.856 13 HZ1 LYS 1 HZ1 LYS 1 14.811 15.675 1.475 14 HZ2 LYS 1 HZ2 LYS 1 16.114 15.441 2.538 15 HZ3 LYS 1 HZ3 LYS 1 15.256 14.105 1.935 16 H LYS 2 HN LYS 2 20.983 14.164 -1.898 17 HA LYS 2 HA LYS 2 21.043 12.261 -4.146 18 HB2 LYS 2 HB2 LYS 2 23.167 13.396 -3.473 19 HB3 LYS 2 HB1 LYS 2 23.041 12.608 -1.900 20 HG2 LYS 2 HG2 LYS 2 22.667 10.592 -3.867 21 HG3 LYS 2 HG1 LYS 2 24.076 11.536 -4.354 22 HD2 LYS 2 HD2 LYS 2 23.648 10.351 -1.595 23 HD3 LYS 2 HD1 LYS 2 24.693 9.665 -2.839 24 HE2 LYS 2 HE2 LYS 2 25.395 12.402 -2.611 25 HE3 LYS 2 HE1 LYS 2 25.277 11.773 -0.968 26 HZ1 LYS 2 HZ1 LYS 2 27.333 11.028 -1.372 27 HZ2 LYS 2 HZ2 LYS 2 27.167 11.137 -3.058 28 HZ3 LYS 2 HZ3 LYS 2 26.558 9.786 -2.227 29 H HIS 3 HN HIS 3 21.721 11.970 -0.657 30 HA HIS 3 HA HIS 3 19.610 10.054 -0.249 31 HB2 HIS 3 HB2 HIS 3 21.447 8.750 -1.440 32 HB3 HIS 3 HB1 HIS 3 22.432 9.008 -0.000 33 HD2 HIS 3 HD2 HIS 3 22.122 6.103 0.403 34 HE1 HIS 3 HE1 HIS 3 18.142 6.469 1.761 35 HE2 HIS 3 HE2 HIS 3 20.130 4.898 1.586 36 H THR 4 HN THR 4 21.799 8.893 1.746 37 HA THR 4 HA THR 4 21.500 11.037 3.766 38 HB THR 4 HB THR 4 19.934 9.333 4.379 39 HG1 THR 4 HG1 THR 4 21.929 8.399 5.990 40 HG21 THR 4 HG21 THR 4 21.894 7.603 3.159 41 HG22 THR 4 HG22 THR 4 20.223 7.248 3.595 42 HG23 THR 4 HG23 THR 4 21.509 7.020 4.778 43 H ILE 5 HN ILE 5 22.903 8.269 4.995 44 HA ILE 5 HA ILE 5 25.618 9.371 4.598 45 HB ILE 5 HB ILE 5 26.074 8.036 6.756 46 HG12 ILE 5 HG12 ILE 5 23.273 8.481 7.546 47 HG13 ILE 5 HG11 ILE 5 23.480 7.193 6.359 48 HG21 ILE 5 HG21 ILE 5 26.177 10.363 6.968 49 HG22 ILE 5 HG22 ILE 5 24.887 9.951 8.099 50 HG23 ILE 5 HG23 ILE 5 24.491 10.579 6.498 51 HD11 ILE 5 HD11 ILE 5 24.974 5.995 7.763 52 HD12 ILE 5 HD12 ILE 5 23.664 6.511 8.824 53 HD13 ILE 5 HD13 ILE 5 25.201 7.378 8.833 54 H TRP 6 HN TRP 6 23.546 6.624 4.278 55 HA TRP 6 HA TRP 6 25.191 4.447 4.257 56 HB2 TRP 6 HB2 TRP 6 22.704 5.179 2.995 57 HB3 TRP 6 HB1 TRP 6 23.678 4.205 1.892 58 HD1 TRP 6 HD1 TRP 6 22.677 1.864 2.111 59 HE1 TRP 6 HE1 TRP 6 22.244 0.232 4.053 60 HE3 TRP 6 HE3 TRP 6 23.774 4.898 6.058 61 HZ2 TRP 6 HZ2 TRP 6 22.349 0.217 6.906 62 HZ3 TRP 6 HZ3 TRP 6 23.599 4.053 8.383 63 HH2 TRP 6 HH2 TRP 6 22.889 1.716 8.812 64 H GLU 7 HN GLU 7 24.631 6.535 1.413 65 HA GLU 7 HA GLU 7 26.551 5.369 -0.247 66 HB2 GLU 7 HB2 GLU 7 24.880 7.704 -0.252 67 HB3 GLU 7 HB1 GLU 7 26.487 8.124 -0.844 68 HG2 GLU 7 HG2 GLU 7 24.861 5.769 -1.840 69 HG3 GLU 7 HG1 GLU 7 24.943 7.331 -2.653 70 H VAL 8 HN VAL 8 27.043 7.064 2.613 71 HA VAL 8 HA VAL 8 29.738 7.949 1.826 72 HB VAL 8 HB VAL 8 28.389 8.539 4.455 73 HG11 VAL 8 HG11 VAL 8 30.134 9.965 4.791 74 HG12 VAL 8 HG12 VAL 8 30.186 10.455 3.099 75 HG13 VAL 8 HG13 VAL 8 30.949 8.947 3.604 76 HG21 VAL 8 HG21 VAL 8 28.238 10.117 1.865 77 HG22 VAL 8 HG22 VAL 8 27.635 10.663 3.430 78 HG23 VAL 8 HG23 VAL 8 26.890 9.278 2.634 79 H ILE 9 HN ILE 9 28.013 5.868 4.106 80 HA ILE 9 HA ILE 9 30.600 4.733 4.952 81 HB ILE 9 HB ILE 9 29.699 5.523 6.917 82 HG12 ILE 9 HG12 ILE 9 29.733 2.811 6.736 83 HG13 ILE 9 HG11 ILE 9 29.347 3.684 8.203 84 HG21 ILE 9 HG21 ILE 9 27.217 5.395 7.419 85 HG22 ILE 9 HG22 ILE 9 26.998 4.916 5.732 86 HG23 ILE 9 HG23 ILE 9 27.701 6.483 6.126 87 HD11 ILE 9 HD11 ILE 9 27.009 3.406 7.911 88 HD12 ILE 9 HD12 ILE 9 27.709 1.836 7.524 89 HD13 ILE 9 HD13 ILE 9 27.192 2.909 6.232 90 H ALA 10 HN ALA 10 27.236 3.922 4.143 91 HA ALA 10 HA ALA 10 27.710 1.105 4.043 92 HB1 ALA 10 HB1 ALA 10 25.529 2.700 2.682 93 HB2 ALA 10 HB2 ALA 10 25.460 2.124 4.347 94 HB3 ALA 10 HB3 ALA 10 25.515 0.969 3.016 95 H GLY 11 HN GLY 11 26.916 3.338 1.364 96 HA2 GLY 11 HA2 GLY 11 27.649 1.675 -0.731 97 HA3 GLY 11 HA1 GLY 11 27.728 3.435 -0.798 98 H LEU 12 HN LEU 12 29.562 3.025 1.697 99 HA LEU 12 HA LEU 12 32.026 2.771 0.122 100 HB2 LEU 12 HB2 LEU 12 31.532 4.881 1.478 101 HB3 LEU 12 HB1 LEU 12 31.795 3.890 2.913 102 HG LEU 12 HG LEU 12 33.979 3.226 1.404 103 HD11 LEU 12 HD11 LEU 12 33.382 4.930 -0.294 104 HD12 LEU 12 HD12 LEU 12 34.904 5.321 0.507 105 HD13 LEU 12 HD13 LEU 12 33.428 6.175 0.953 106 HD21 LEU 12 HD21 LEU 12 33.996 3.840 3.780 107 HD22 LEU 12 HD22 LEU 12 33.683 5.525 3.365 108 HD23 LEU 12 HD23 LEU 12 35.214 4.775 2.913 109 H VAL 13 HN VAL 13 30.206 1.377 2.742 110 HA VAL 13 HA VAL 13 32.438 -0.489 3.302 111 HB VAL 13 HB VAL 13 30.073 0.272 5.032 112 HG11 VAL 13 HG11 VAL 13 31.776 -1.135 6.622 113 HG12 VAL 13 HG12 VAL 13 31.989 -1.984 5.092 114 HG13 VAL 13 HG13 VAL 13 30.384 -1.849 5.810 115 HG21 VAL 13 HG21 VAL 13 32.177 1.810 4.715 116 HG22 VAL 13 HG22 VAL 13 32.994 0.593 5.696 117 HG23 VAL 13 HG23 VAL 13 31.609 1.468 6.348 118 H ALA 14 HN ALA 14 28.869 -0.396 3.109 119 HA ALA 14 HA ALA 14 28.283 -3.062 3.127 120 HB1 ALA 14 HB1 ALA 14 26.774 -1.966 0.980 121 HB2 ALA 14 HB2 ALA 14 27.003 -0.687 2.170 122 HB3 ALA 14 HB3 ALA 14 26.263 -2.213 2.649 123 H LEU 15 HN LEU 15 29.337 -1.179 0.291 124 HA LEU 15 HA LEU 15 29.351 -3.344 -1.528 125 HB2 LEU 15 HB2 LEU 15 31.109 -0.877 -1.565 126 HB3 LEU 15 HB1 LEU 15 30.713 -1.908 -2.944 127 HG LEU 15 HG LEU 15 28.714 -0.322 -1.310 128 HD11 LEU 15 HD11 LEU 15 30.430 0.749 -3.091 129 HD12 LEU 15 HD12 LEU 15 28.772 1.321 -2.916 130 HD13 LEU 15 HD13 LEU 15 29.183 0.189 -4.205 131 HD21 LEU 15 HD21 LEU 15 27.342 -0.976 -3.483 132 HD22 LEU 15 HD22 LEU 15 27.454 -2.095 -2.124 133 HD23 LEU 15 HD23 LEU 15 28.488 -2.317 -3.535 134 H LEU 16 HN LEU 16 31.604 -2.194 0.853 135 HA LEU 16 HA LEU 16 33.651 -4.109 -0.006 136 HB2 LEU 16 HB2 LEU 16 33.840 -2.171 2.292 137 HB3 LEU 16 HB1 LEU 16 35.154 -2.934 1.396 138 HG LEU 16 HG LEU 16 33.206 -0.867 0.342 139 HD11 LEU 16 HD11 LEU 16 35.171 -0.149 1.814 140 HD12 LEU 16 HD12 LEU 16 35.099 0.585 0.212 141 HD13 LEU 16 HD13 LEU 16 36.222 -0.737 0.526 142 HD21 LEU 16 HD21 LEU 16 34.823 -1.054 -1.686 143 HD22 LEU 16 HD22 LEU 16 33.582 -2.293 -1.494 144 HD23 LEU 16 HD23 LEU 16 35.245 -2.628 -1.010 145 H THR 17 HN THR 17 30.932 -4.353 1.646 146 HA THR 17 HA THR 17 32.003 -6.436 3.415 147 HB THR 17 HB THR 17 30.173 -4.194 4.292 148 HG1 THR 17 HG1 THR 17 32.804 -4.991 4.775 149 HG21 THR 17 HG21 THR 17 30.572 -5.649 6.524 150 HG22 THR 17 HG22 THR 17 30.600 -6.945 5.329 151 HG23 THR 17 HG23 THR 17 29.186 -5.899 5.460 152 H PHE 18 HN PHE 18 28.807 -4.925 3.019 153 HA PHE 18 HA PHE 18 27.256 -7.173 3.137 154 HB2 PHE 18 HB2 PHE 18 26.603 -4.664 2.809 155 HB3 PHE 18 HB1 PHE 18 26.601 -5.074 1.094 156 HD1 PHE 18 HD2 PHE 18 25.384 -6.471 4.360 157 HD2 PHE 18 HD1 PHE 18 24.607 -5.883 0.176 158 HE1 PHE 18 HE2 PHE 18 23.161 -7.534 4.624 159 HE2 PHE 18 HE1 PHE 18 22.383 -6.945 0.440 160 HZ PHE 18 HZ PHE 18 21.659 -7.771 2.664 161 H LEU 19 HN LEU 19 28.677 -5.781 0.180 162 HA LEU 19 HA LEU 19 27.765 -7.880 -1.526 163 HB2 LEU 19 HB2 LEU 19 29.747 -5.640 -1.775 164 HB3 LEU 19 HB1 LEU 19 29.682 -6.887 -3.017 165 HG LEU 19 HG LEU 19 28.228 -4.860 -3.474 166 HD11 LEU 19 HD11 LEU 19 26.155 -6.879 -3.280 167 HD12 LEU 19 HD12 LEU 19 27.663 -7.599 -3.842 168 HD13 LEU 19 HD13 LEU 19 26.953 -6.243 -4.716 169 HD21 LEU 19 HD21 LEU 19 26.312 -4.428 -2.156 170 HD22 LEU 19 HD22 LEU 19 27.587 -4.724 -0.976 171 HD23 LEU 19 HD23 LEU 19 26.414 -5.986 -1.340 172 H ALA 20 HN ALA 20 31.019 -7.093 -0.277 173 HA ALA 20 HA ALA 20 32.500 -9.152 -1.243 174 HB1 ALA 20 HB1 ALA 20 33.931 -8.084 0.117 175 HB2 ALA 20 HB2 ALA 20 33.280 -9.057 1.437 176 HB3 ALA 20 HB3 ALA 20 32.617 -7.456 1.111 177 H PHE 21 HN PHE 21 30.635 -9.336 1.805 178 HA PHE 21 HA PHE 21 31.015 -12.191 1.979 179 HB2 PHE 21 HB2 PHE 21 29.376 -10.222 3.581 180 HB3 PHE 21 HB1 PHE 21 29.403 -11.954 3.918 181 HD1 PHE 21 HD1 PHE 21 31.755 -9.095 3.317 182 HD2 PHE 21 HD2 PHE 21 31.028 -12.791 5.379 183 HE1 PHE 21 HE1 PHE 21 33.879 -8.816 4.564 184 HE2 PHE 21 HE2 PHE 21 33.153 -12.514 6.625 185 HZ PHE 21 HZ PHE 21 34.579 -10.526 6.218 186 H GLY 22 HN GLY 22 28.296 -9.998 1.305 187 HA2 GLY 22 HA2 GLY 22 26.189 -11.710 1.039 188 HA3 GLY 22 HA1 GLY 22 26.440 -10.344 -0.042 189 H PHE 23 HN PHE 23 28.570 -10.975 -1.505 190 HA PHE 23 HA PHE 23 27.726 -12.501 -3.576 191 HB2 PHE 23 HB2 PHE 23 30.180 -11.352 -2.796 192 HB3 PHE 23 HB1 PHE 23 30.533 -13.023 -3.231 193 HD1 PHE 23 HD2 PHE 23 28.954 -13.808 -5.364 194 HD2 PHE 23 HD1 PHE 23 30.411 -9.846 -4.564 195 HE1 PHE 23 HE2 PHE 23 28.729 -13.239 -7.766 196 HE2 PHE 23 HE1 PHE 23 30.186 -9.277 -6.964 197 HZ PHE 23 HZ PHE 23 29.344 -10.974 -8.568 198 H TRP 24 HN TRP 24 29.629 -13.714 -0.813 199 HA TRP 24 HA TRP 24 29.479 -16.440 -1.737 200 HB2 TRP 24 HB2 TRP 24 31.432 -15.910 -0.515 201 HB3 TRP 24 HB1 TRP 24 30.507 -15.142 0.777 202 HD1 TRP 24 HD1 TRP 24 30.676 -18.634 -0.872 203 HE1 TRP 24 HE1 TRP 24 30.411 -20.413 0.979 204 HE3 TRP 24 HE3 TRP 24 30.056 -15.598 3.171 205 HZ2 TRP 24 HZ2 TRP 24 29.991 -20.524 3.802 206 HZ3 TRP 24 HZ3 TRP 24 29.723 -16.560 5.433 207 HH2 TRP 24 HH2 TRP 24 29.690 -19.018 5.754 208 H LEU 25 HN LEU 25 28.309 -14.861 1.233 209 HA LEU 25 HA LEU 25 26.887 -16.685 2.490 210 HB2 LEU 25 HB2 LEU 25 26.307 -13.846 1.923 211 HB3 LEU 25 HB1 LEU 25 24.977 -14.793 2.581 212 HG LEU 25 HG LEU 25 27.717 -14.952 3.822 213 HD11 LEU 25 HD11 LEU 25 27.149 -12.554 3.686 214 HD12 LEU 25 HD12 LEU 25 27.085 -13.128 5.352 215 HD13 LEU 25 HD13 LEU 25 25.592 -12.881 4.445 216 HD21 LEU 25 HD21 LEU 25 26.272 -15.327 5.879 217 HD22 LEU 25 HD22 LEU 25 26.129 -16.582 4.650 218 HD23 LEU 25 HD23 LEU 25 24.872 -15.355 4.811 219 H PHE 26 HN PHE 26 25.395 -14.985 -0.287 220 HA PHE 26 HA PHE 26 23.108 -16.682 -0.300 221 HB2 PHE 26 HB2 PHE 26 24.059 -15.170 -2.711 222 HB3 PHE 26 HB1 PHE 26 22.408 -15.478 -2.180 223 HD1 PHE 26 HD2 PHE 26 22.234 -14.705 0.540 224 HD2 PHE 26 HD1 PHE 26 24.575 -12.905 -2.586 225 HE1 PHE 26 HE2 PHE 26 22.201 -12.547 1.757 226 HE2 PHE 26 HE1 PHE 26 24.542 -10.747 -1.362 227 HZ PHE 26 HZ PHE 26 23.358 -10.567 0.810 228 H LYS 27 HN LYS 27 25.616 -16.361 -2.791 229 HA LYS 27 HA LYS 27 24.977 -18.522 -4.347 230 HB2 LYS 27 HB2 LYS 27 27.588 -17.179 -3.739 231 HB3 LYS 27 HB1 LYS 27 27.542 -18.585 -4.797 232 HG2 LYS 27 HG2 LYS 27 27.358 -16.377 -6.010 233 HG3 LYS 27 HG1 LYS 27 26.023 -17.484 -6.320 234 HD2 LYS 27 HD2 LYS 27 24.584 -16.277 -4.793 235 HD3 LYS 27 HD1 LYS 27 25.931 -15.278 -4.245 236 HE2 LYS 27 HE2 LYS 27 26.102 -14.178 -6.354 237 HE3 LYS 27 HE1 LYS 27 25.037 -15.353 -7.129 238 HZ1 LYS 27 HZ1 LYS 27 24.146 -13.042 -6.315 239 HZ2 LYS 27 HZ2 LYS 27 24.011 -13.856 -4.830 240 HZ3 LYS 27 HZ3 LYS 27 23.190 -14.438 -6.199 241 H TYR 28 HN TYR 28 25.835 -18.754 -1.114 242 HA TYR 28 HA TYR 28 26.666 -21.575 -1.465 243 HB2 TYR 28 HB2 TYR 28 28.506 -21.047 -0.310 244 HB3 TYR 28 HB1 TYR 28 27.894 -19.435 0.051 245 HD1 TYR 28 HD1 TYR 28 27.306 -23.012 1.020 246 HD2 TYR 28 HD2 TYR 28 27.416 -18.907 2.267 247 HE1 TYR 28 HE1 TYR 28 26.854 -23.708 3.358 248 HE2 TYR 28 HE2 TYR 28 26.960 -19.598 4.603 249 HH TYR 28 HH TYR 28 26.149 -21.375 5.867 250 H LEU 29 HN LEU 29 24.985 -19.321 0.749 251 HA LEU 29 HA LEU 29 23.643 -21.583 2.009 252 HB2 LEU 29 HB2 LEU 29 23.448 -20.240 3.796 253 HB3 LEU 29 HB1 LEU 29 24.474 -19.109 2.940 254 HG LEU 29 HG LEU 29 22.339 -18.144 1.904 255 HD11 LEU 29 HD11 LEU 29 20.653 -18.897 4.112 256 HD12 LEU 29 HD12 LEU 29 21.204 -20.363 3.299 257 HD13 LEU 29 HD13 LEU 29 20.354 -19.116 2.388 258 HD21 LEU 29 HD21 LEU 29 23.605 -17.067 3.731 259 HD22 LEU 29 HD22 LEU 29 22.687 -18.004 4.910 260 HD23 LEU 29 HD23 LEU 29 21.869 -16.806 3.909 261 H GLN 30 HN GLN 30 22.906 -18.945 -0.196 262 HA GLN 30 HA GLN 30 20.066 -19.557 -0.218 263 HB2 GLN 30 HB2 GLN 30 20.743 -17.251 -0.500 264 HB3 GLN 30 HB1 GLN 30 21.742 -17.680 -1.887 265 HG2 GLN 30 HG2 GLN 30 19.917 -18.074 -3.268 266 HG3 GLN 30 HG1 GLN 30 18.833 -18.386 -1.916 267 HE21 GLN 30 HE21 GLN 30 20.690 -15.600 -1.247 268 HE22 GLN 30 HE22 GLN 30 19.558 -14.443 -1.749 269 H LYS 31 HN LYS 31 22.813 -20.843 -1.647 270 HA LYS 31 HA LYS 31 21.267 -21.907 -3.937 271 HB2 LYS 31 HB2 LYS 31 24.100 -21.060 -3.626 272 HB3 LYS 31 HB1 LYS 31 23.788 -22.463 -4.646 273 HG2 LYS 31 HG2 LYS 31 23.740 -20.346 -5.945 274 HG3 LYS 31 HG1 LYS 31 22.183 -21.174 -5.975 275 HD2 LYS 31 HD2 LYS 31 21.183 -19.637 -4.531 276 HD3 LYS 31 HD1 LYS 31 22.727 -19.122 -3.851 277 HE2 LYS 31 HE2 LYS 31 23.303 -17.943 -5.884 278 HE3 LYS 31 HE1 LYS 31 21.890 -18.595 -6.715 279 HZ1 LYS 31 HZ1 LYS 31 21.401 -17.158 -4.230 280 HZ2 LYS 31 HZ2 LYS 31 20.502 -17.178 -5.672 281 HZ3 LYS 31 HZ3 LYS 31 21.903 -16.224 -5.553 282 H LYS 32 HN LYS 32 21.693 -22.790 -0.998 283 HA LYS 32 HA LYS 32 23.190 -25.030 -0.660 284 HB2 LYS 32 HB2 LYS 32 20.873 -23.936 0.558 285 HB3 LYS 32 HB1 LYS 32 20.566 -25.655 0.306 286 HG2 LYS 32 HG2 LYS 32 22.674 -26.224 1.420 287 HG3 LYS 32 HG1 LYS 32 23.043 -24.510 1.628 288 HD2 LYS 32 HD2 LYS 32 20.406 -25.443 2.650 289 HD3 LYS 32 HD1 LYS 32 21.834 -25.965 3.544 290 HE2 LYS 32 HE2 LYS 32 22.461 -23.777 4.083 291 HE3 LYS 32 HE1 LYS 32 21.547 -23.082 2.744 292 HZ1 LYS 32 HZ1 LYS 32 20.147 -24.519 4.899 293 HZ2 LYS 32 HZ2 LYS 32 19.564 -23.306 3.862 294 HZ3 LYS 32 HZ3 LYS 32 20.621 -22.907 5.129 Start of MODEL 44 1 H1 LYS 1 HT1 LYS 1 20.763 15.500 -1.409 2 H2 LYS 1 HT2 LYS 1 19.066 15.524 -1.479 3 H3 LYS 1 HT3 LYS 1 19.944 16.975 -1.574 4 HA LYS 1 HA LYS 1 18.992 15.818 -3.713 5 HB2 LYS 1 HB2 LYS 1 20.685 17.004 -4.980 6 HB3 LYS 1 HB1 LYS 1 20.319 17.947 -3.537 7 HG2 LYS 1 HG2 LYS 1 22.295 16.501 -2.504 8 HG3 LYS 1 HG1 LYS 1 22.775 16.373 -4.198 9 HD2 LYS 1 HD2 LYS 1 22.621 18.877 -4.363 10 HD3 LYS 1 HD1 LYS 1 22.337 18.925 -2.623 11 HE2 LYS 1 HE2 LYS 1 24.575 17.291 -2.874 12 HE3 LYS 1 HE1 LYS 1 24.842 18.551 -4.079 13 HZ1 LYS 1 HZ1 LYS 1 24.203 20.157 -2.249 14 HZ2 LYS 1 HZ2 LYS 1 25.716 19.398 -2.101 15 HZ3 LYS 1 HZ3 LYS 1 24.399 18.861 -1.171 16 H LYS 2 HN LYS 2 21.718 14.570 -1.952 17 HA LYS 2 HA LYS 2 22.272 12.602 -4.075 18 HB2 LYS 2 HB2 LYS 2 24.195 13.873 -3.152 19 HB3 LYS 2 HB1 LYS 2 23.843 13.208 -1.558 20 HG2 LYS 2 HG2 LYS 2 23.924 11.057 -3.461 21 HG3 LYS 2 HG1 LYS 2 25.391 12.024 -3.627 22 HD2 LYS 2 HD2 LYS 2 24.329 10.985 -0.984 23 HD3 LYS 2 HD1 LYS 2 25.598 10.197 -1.921 24 HE2 LYS 2 HE2 LYS 2 26.201 13.004 -1.636 25 HE3 LYS 2 HE1 LYS 2 25.907 12.293 -0.049 26 HZ1 LYS 2 HZ1 LYS 2 28.252 12.164 -1.176 27 HZ2 LYS 2 HZ2 LYS 2 27.572 10.811 -1.948 28 HZ3 LYS 2 HZ3 LYS 2 27.655 10.873 -0.252 29 H HIS 3 HN HIS 3 22.579 12.348 -0.548 30 HA HIS 3 HA HIS 3 20.409 10.546 -0.191 31 HB2 HIS 3 HB2 HIS 3 22.103 9.167 -1.542 32 HB3 HIS 3 HB1 HIS 3 23.102 9.195 -0.090 33 HD2 HIS 3 HD2 HIS 3 22.609 6.452 0.502 34 HE1 HIS 3 HE1 HIS 3 18.460 6.891 1.149 35 HE2 HIS 3 HE2 HIS 3 20.430 5.304 1.368 36 H THR 4 HN THR 4 21.148 9.088 1.944 37 HA THR 4 HA THR 4 21.478 11.093 3.986 38 HB THR 4 HB THR 4 19.952 9.331 4.484 39 HG1 THR 4 HG1 THR 4 21.832 9.924 6.032 40 HG21 THR 4 HG21 THR 4 21.409 6.970 4.647 41 HG22 THR 4 HG22 THR 4 21.994 7.715 3.160 42 HG23 THR 4 HG23 THR 4 20.273 7.395 3.367 43 H ILE 5 HN ILE 5 22.943 8.213 4.928 44 HA ILE 5 HA ILE 5 25.648 9.367 4.593 45 HB ILE 5 HB ILE 5 26.123 8.032 6.749 46 HG12 ILE 5 HG12 ILE 5 23.338 8.496 7.577 47 HG13 ILE 5 HG11 ILE 5 23.517 7.209 6.386 48 HG21 ILE 5 HG21 ILE 5 26.265 10.310 7.078 49 HG22 ILE 5 HG22 ILE 5 24.840 9.975 8.061 50 HG23 ILE 5 HG23 ILE 5 24.653 10.612 6.428 51 HD11 ILE 5 HD11 ILE 5 23.729 6.499 8.829 52 HD12 ILE 5 HD12 ILE 5 25.254 7.384 8.849 53 HD13 ILE 5 HD13 ILE 5 25.047 6.009 7.765 54 H TRP 6 HN TRP 6 23.566 6.610 4.334 55 HA TRP 6 HA TRP 6 25.212 4.438 4.284 56 HB2 TRP 6 HB2 TRP 6 22.711 5.171 3.036 57 HB3 TRP 6 HB1 TRP 6 23.676 4.182 1.939 58 HD1 TRP 6 HD1 TRP 6 22.657 1.849 2.189 59 HE1 TRP 6 HE1 TRP 6 22.234 0.239 4.151 60 HE3 TRP 6 HE3 TRP 6 23.815 4.913 6.095 61 HZ2 TRP 6 HZ2 TRP 6 22.368 0.252 7.003 62 HZ3 TRP 6 HZ3 TRP 6 23.658 4.093 8.429 63 HH2 TRP 6 HH2 TRP 6 22.937 1.765 8.888 64 H GLU 7 HN GLU 7 24.541 6.376 1.362 65 HA GLU 7 HA GLU 7 26.459 5.269 -0.291 66 HB2 GLU 7 HB2 GLU 7 25.027 7.853 -0.156 67 HB3 GLU 7 HB1 GLU 7 26.472 7.812 -1.166 68 HG2 GLU 7 HG2 GLU 7 24.326 5.694 -1.354 69 HG3 GLU 7 HG1 GLU 7 24.257 7.177 -2.303 70 H VAL 8 HN VAL 8 26.989 7.051 2.541 71 HA VAL 8 HA VAL 8 29.676 7.891 1.695 72 HB VAL 8 HB VAL 8 28.420 8.511 4.360 73 HG11 VAL 8 HG11 VAL 8 30.144 10.413 2.886 74 HG12 VAL 8 HG12 VAL 8 30.934 8.925 3.406 75 HG13 VAL 8 HG13 VAL 8 30.155 9.971 4.593 76 HG21 VAL 8 HG21 VAL 8 26.835 9.211 2.587 77 HG22 VAL 8 HG22 VAL 8 28.142 10.061 1.763 78 HG23 VAL 8 HG23 VAL 8 27.594 10.610 3.345 79 H ILE 9 HN ILE 9 28.008 5.861 4.071 80 HA ILE 9 HA ILE 9 30.614 4.726 4.853 81 HB ILE 9 HB ILE 9 29.753 5.528 6.830 82 HG12 ILE 9 HG12 ILE 9 29.795 2.816 6.669 83 HG13 ILE 9 HG11 ILE 9 29.436 3.698 8.139 84 HG21 ILE 9 HG21 ILE 9 27.735 6.476 6.080 85 HG22 ILE 9 HG22 ILE 9 27.282 5.393 7.389 86 HG23 ILE 9 HG23 ILE 9 27.029 4.904 5.711 87 HD11 ILE 9 HD11 ILE 9 27.243 2.901 6.218 88 HD12 ILE 9 HD12 ILE 9 27.092 3.404 7.896 89 HD13 ILE 9 HD13 ILE 9 27.794 1.837 7.506 90 H ALA 10 HN ALA 10 27.238 3.905 4.120 91 HA ALA 10 HA ALA 10 27.697 1.086 4.036 92 HB1 ALA 10 HB1 ALA 10 25.514 2.693 2.685 93 HB2 ALA 10 HB2 ALA 10 25.455 2.113 4.351 94 HB3 ALA 10 HB3 ALA 10 25.491 0.959 3.018 95 H GLY 11 HN GLY 11 26.871 3.282 1.337 96 HA2 GLY 11 HA2 GLY 11 27.582 1.592 -0.741 97 HA3 GLY 11 HA1 GLY 11 27.657 3.349 -0.836 98 H LEU 12 HN LEU 12 29.522 2.984 1.640 99 HA LEU 12 HA LEU 12 31.966 2.717 0.037 100 HB2 LEU 12 HB2 LEU 12 31.468 4.838 1.384 101 HB3 LEU 12 HB1 LEU 12 31.777 3.863 2.820 102 HG LEU 12 HG LEU 12 33.935 3.210 1.282 103 HD11 LEU 12 HD11 LEU 12 34.775 5.133 0.152 104 HD12 LEU 12 HD12 LEU 12 33.545 6.180 0.860 105 HD13 LEU 12 HD13 LEU 12 33.095 4.992 -0.365 106 HD21 LEU 12 HD21 LEU 12 35.183 4.797 2.732 107 HD22 LEU 12 HD22 LEU 12 33.976 3.891 3.646 108 HD23 LEU 12 HD23 LEU 12 33.660 5.562 3.183 109 H VAL 13 HN VAL 13 30.183 1.341 2.690 110 HA VAL 13 HA VAL 13 32.429 -0.509 3.242 111 HB VAL 13 HB VAL 13 30.093 0.272 4.997 112 HG11 VAL 13 HG11 VAL 13 32.268 -1.806 5.290 113 HG12 VAL 13 HG12 VAL 13 30.525 -2.025 5.447 114 HG13 VAL 13 HG13 VAL 13 31.417 -1.138 6.684 115 HG21 VAL 13 HG21 VAL 13 33.030 0.586 5.598 116 HG22 VAL 13 HG22 VAL 13 31.664 1.453 6.294 117 HG23 VAL 13 HG23 VAL 13 32.184 1.805 4.647 118 H ALA 14 HN ALA 14 28.858 -0.434 3.095 119 HA ALA 14 HA ALA 14 28.289 -3.106 3.155 120 HB1 ALA 14 HB1 ALA 14 26.964 -0.755 2.240 121 HB2 ALA 14 HB2 ALA 14 26.251 -2.310 2.664 122 HB3 ALA 14 HB3 ALA 14 26.761 -1.998 1.006 123 H LEU 15 HN LEU 15 29.277 -1.246 0.279 124 HA LEU 15 HA LEU 15 29.278 -3.426 -1.517 125 HB2 LEU 15 HB2 LEU 15 31.024 -0.952 -1.601 126 HB3 LEU 15 HB1 LEU 15 30.616 -1.996 -2.964 127 HG LEU 15 HG LEU 15 28.630 -0.412 -1.317 128 HD11 LEU 15 HD11 LEU 15 30.319 0.649 -3.139 129 HD12 LEU 15 HD12 LEU 15 28.666 1.226 -2.927 130 HD13 LEU 15 HD13 LEU 15 29.043 0.089 -4.220 131 HD21 LEU 15 HD21 LEU 15 28.386 -2.421 -3.526 132 HD22 LEU 15 HD22 LEU 15 27.235 -1.089 -3.469 133 HD23 LEU 15 HD23 LEU 15 27.370 -2.197 -2.103 134 H LEU 16 HN LEU 16 31.553 -2.260 0.833 135 HA LEU 16 HA LEU 16 33.602 -4.163 -0.047 136 HB2 LEU 16 HB2 LEU 16 33.802 -2.218 2.246 137 HB3 LEU 16 HB1 LEU 16 35.113 -2.977 1.339 138 HG LEU 16 HG LEU 16 33.146 -0.920 0.299 139 HD11 LEU 16 HD11 LEU 16 35.154 -0.223 1.751 140 HD12 LEU 16 HD12 LEU 16 35.013 0.547 0.171 141 HD13 LEU 16 HD13 LEU 16 36.162 -0.769 0.410 142 HD21 LEU 16 HD21 LEU 16 34.739 -1.110 -1.747 143 HD22 LEU 16 HD22 LEU 16 33.503 -2.350 -1.538 144 HD23 LEU 16 HD23 LEU 16 35.172 -2.681 -1.073 145 H THR 17 HN THR 17 30.905 -4.393 1.671 146 HA THR 17 HA THR 17 32.012 -6.486 3.410 147 HB THR 17 HB THR 17 30.258 -4.199 4.307 148 HG1 THR 17 HG1 THR 17 32.814 -4.672 4.424 149 HG21 THR 17 HG21 THR 17 30.555 -6.978 5.364 150 HG22 THR 17 HG22 THR 17 29.144 -5.921 5.370 151 HG23 THR 17 HG23 THR 17 30.449 -5.656 6.526 152 H PHE 18 HN PHE 18 28.812 -4.972 3.054 153 HA PHE 18 HA PHE 18 27.259 -7.220 3.208 154 HB2 PHE 18 HB2 PHE 18 26.607 -4.711 2.889 155 HB3 PHE 18 HB1 PHE 18 26.579 -5.119 1.175 156 HD1 PHE 18 HD1 PHE 18 25.400 -6.508 4.457 157 HD2 PHE 18 HD2 PHE 18 24.574 -5.925 0.280 158 HE1 PHE 18 HE1 PHE 18 23.173 -7.555 4.751 159 HE2 PHE 18 HE2 PHE 18 22.347 -6.973 0.577 160 HZ PHE 18 HZ PHE 18 21.644 -7.789 2.811 161 H LEU 19 HN LEU 19 28.733 -5.875 0.261 162 HA LEU 19 HA LEU 19 27.767 -7.995 -1.421 163 HB2 LEU 19 HB2 LEU 19 29.688 -5.713 -1.755 164 HB3 LEU 19 HB1 LEU 19 29.607 -6.974 -2.979 165 HG LEU 19 HG LEU 19 28.100 -4.983 -3.410 166 HD11 LEU 19 HD11 LEU 19 27.577 -7.734 -3.735 167 HD12 LEU 19 HD12 LEU 19 26.808 -6.402 -4.594 168 HD13 LEU 19 HD13 LEU 19 26.076 -7.042 -3.124 169 HD21 LEU 19 HD21 LEU 19 26.212 -4.581 -2.038 170 HD22 LEU 19 HD22 LEU 19 27.540 -4.818 -0.904 171 HD23 LEU 19 HD23 LEU 19 26.391 -6.120 -1.196 172 H ALA 20 HN ALA 20 30.976 -7.134 -0.120 173 HA ALA 20 HA ALA 20 32.539 -9.114 -1.145 174 HB1 ALA 20 HB1 ALA 20 33.263 -9.040 1.568 175 HB2 ALA 20 HB2 ALA 20 32.603 -7.443 1.213 176 HB3 ALA 20 HB3 ALA 20 33.945 -8.075 0.259 177 H PHE 21 HN PHE 21 30.636 -9.432 1.868 178 HA PHE 21 HA PHE 21 31.109 -12.284 1.962 179 HB2 PHE 21 HB2 PHE 21 29.433 -10.413 3.642 180 HB3 PHE 21 HB1 PHE 21 29.532 -12.150 3.932 181 HD1 PHE 21 HD1 PHE 21 31.730 -9.156 3.421 182 HD2 PHE 21 HD2 PHE 21 31.241 -12.990 5.297 183 HE1 PHE 21 HE1 PHE 21 33.865 -8.832 4.640 184 HE2 PHE 21 HE2 PHE 21 33.376 -12.666 6.517 185 HZ PHE 21 HZ PHE 21 34.687 -10.587 6.188 186 H GLY 22 HN GLY 22 28.455 -10.099 1.170 187 HA2 GLY 22 HA2 GLY 22 26.334 -11.866 0.953 188 HA3 GLY 22 HA1 GLY 22 26.539 -10.437 -0.054 189 H PHE 23 HN PHE 23 28.854 -11.125 -1.421 190 HA PHE 23 HA PHE 23 27.905 -12.550 -3.600 191 HB2 PHE 23 HB2 PHE 23 30.355 -11.312 -2.842 192 HB3 PHE 23 HB1 PHE 23 30.732 -12.922 -3.455 193 HD1 PHE 23 HD1 PHE 23 29.079 -13.578 -5.555 194 HD2 PHE 23 HD2 PHE 23 30.379 -9.631 -4.460 195 HE1 PHE 23 HE1 PHE 23 28.673 -12.799 -7.874 196 HE2 PHE 23 HE2 PHE 23 29.974 -8.855 -6.776 197 HZ PHE 23 HZ PHE 23 29.118 -10.439 -8.486 198 H TRP 24 HN TRP 24 28.949 -13.717 -0.574 199 HA TRP 24 HA TRP 24 29.282 -16.447 -1.636 200 HB2 TRP 24 HB2 TRP 24 31.244 -15.836 -0.446 201 HB3 TRP 24 HB1 TRP 24 30.307 -15.121 0.869 202 HD1 TRP 24 HD1 TRP 24 30.444 -18.576 -0.856 203 HE1 TRP 24 HE1 TRP 24 30.310 -20.395 0.973 204 HE3 TRP 24 HE3 TRP 24 30.080 -15.627 3.277 205 HZ2 TRP 24 HZ2 TRP 24 30.078 -20.564 3.815 206 HZ3 TRP 24 HZ3 TRP 24 29.902 -16.636 5.538 207 HH2 TRP 24 HH2 TRP 24 29.901 -19.098 5.810 208 H LEU 25 HN LEU 25 28.223 -14.932 1.405 209 HA LEU 25 HA LEU 25 26.781 -16.740 2.660 210 HB2 LEU 25 HB2 LEU 25 26.249 -13.875 2.137 211 HB3 LEU 25 HB1 LEU 25 24.907 -14.805 2.803 212 HG LEU 25 HG LEU 25 27.676 -14.989 3.979 213 HD11 LEU 25 HD11 LEU 25 27.113 -12.624 4.029 214 HD12 LEU 25 HD12 LEU 25 26.914 -13.287 5.650 215 HD13 LEU 25 HD13 LEU 25 25.499 -12.986 4.641 216 HD21 LEU 25 HD21 LEU 25 26.672 -16.242 5.586 217 HD22 LEU 25 HD22 LEU 25 25.332 -16.388 4.451 218 HD23 LEU 25 HD23 LEU 25 25.298 -15.145 5.699 219 H PHE 26 HN PHE 26 25.321 -14.959 -0.073 220 HA PHE 26 HA PHE 26 23.020 -16.673 -0.165 221 HB2 PHE 26 HB2 PHE 26 23.964 -14.970 -2.453 222 HB3 PHE 26 HB1 PHE 26 22.312 -15.356 -1.974 223 HD1 PHE 26 HD1 PHE 26 22.057 -14.769 0.774 224 HD2 PHE 26 HD2 PHE 26 24.446 -12.720 -2.152 225 HE1 PHE 26 HE1 PHE 26 21.967 -12.709 2.147 226 HE2 PHE 26 HE2 PHE 26 24.350 -10.656 -0.777 227 HZ PHE 26 HZ PHE 26 23.119 -10.654 1.374 228 H LYS 27 HN LYS 27 25.558 -16.109 -2.585 229 HA LYS 27 HA LYS 27 25.004 -18.125 -4.327 230 HB2 LYS 27 HB2 LYS 27 27.603 -16.905 -3.466 231 HB3 LYS 27 HB1 LYS 27 27.584 -18.198 -4.657 232 HG2 LYS 27 HG2 LYS 27 27.523 -15.928 -5.707 233 HG3 LYS 27 HG1 LYS 27 26.111 -16.903 -6.110 234 HD2 LYS 27 HD2 LYS 27 24.747 -15.715 -4.525 235 HD3 LYS 27 HD1 LYS 27 26.155 -14.890 -3.849 236 HE2 LYS 27 HE2 LYS 27 24.807 -13.482 -5.447 237 HE3 LYS 27 HE1 LYS 27 26.502 -13.664 -5.899 238 HZ1 LYS 27 HZ1 LYS 27 25.958 -14.755 -7.742 239 HZ2 LYS 27 HZ2 LYS 27 24.370 -14.207 -7.488 240 HZ3 LYS 27 HZ3 LYS 27 24.837 -15.747 -6.945 241 H TYR 28 HN TYR 28 25.903 -18.547 -1.081 242 HA TYR 28 HA TYR 28 26.635 -21.376 -1.581 243 HB2 TYR 28 HB2 TYR 28 28.479 -20.900 -0.393 244 HB3 TYR 28 HB1 TYR 28 27.844 -19.338 0.115 245 HD1 TYR 28 HD2 TYR 28 27.356 -22.999 0.732 246 HD2 TYR 28 HD1 TYR 28 27.251 -19.025 2.355 247 HE1 TYR 28 HE2 TYR 28 26.888 -23.932 2.982 248 HE2 TYR 28 HE1 TYR 28 26.783 -19.956 4.606 249 HH TYR 28 HH TYR 28 25.590 -22.613 5.282 250 H LEU 29 HN LEU 29 25.052 -19.227 0.791 251 HA LEU 29 HA LEU 29 23.703 -21.478 2.001 252 HB2 LEU 29 HB2 LEU 29 24.585 -19.329 3.176 253 HB3 LEU 29 HB1 LEU 29 23.092 -18.593 2.597 254 HG LEU 29 HG LEU 29 22.321 -21.059 3.725 255 HD11 LEU 29 HD11 LEU 29 23.221 -20.862 6.022 256 HD12 LEU 29 HD12 LEU 29 24.267 -19.546 5.490 257 HD13 LEU 29 HD13 LEU 29 24.503 -21.173 4.851 258 HD21 LEU 29 HD21 LEU 29 22.219 -18.251 4.868 259 HD22 LEU 29 HD22 LEU 29 21.188 -19.598 5.352 260 HD23 LEU 29 HD23 LEU 29 21.060 -18.930 3.725 261 H GLN 30 HN GLN 30 23.006 -19.056 -0.362 262 HA GLN 30 HA GLN 30 20.132 -19.644 -0.276 263 HB2 GLN 30 HB2 GLN 30 20.761 -17.290 -0.428 264 HB3 GLN 30 HB1 GLN 30 21.716 -17.613 -1.871 265 HG2 GLN 30 HG2 GLN 30 19.897 -17.747 -3.223 266 HG3 GLN 30 HG1 GLN 30 18.904 -18.521 -1.985 267 HE21 GLN 30 HE21 GLN 30 20.595 -15.533 -1.190 268 HE22 GLN 30 HE22 GLN 30 19.215 -14.545 -1.173 269 H LYS 31 HN LYS 31 22.442 -21.412 -1.286 270 HA LYS 31 HA LYS 31 21.219 -22.042 -3.904 271 HB2 LYS 31 HB2 LYS 31 23.985 -21.402 -3.284 272 HB3 LYS 31 HB1 LYS 31 23.843 -23.011 -3.986 273 HG2 LYS 31 HG2 LYS 31 24.121 -21.451 -5.802 274 HG3 LYS 31 HG1 LYS 31 22.448 -21.994 -5.836 275 HD2 LYS 31 HD2 LYS 31 22.575 -19.737 -4.097 276 HD3 LYS 31 HD1 LYS 31 23.450 -19.323 -5.568 277 HE2 LYS 31 HE2 LYS 31 21.491 -20.138 -6.904 278 HE3 LYS 31 HE1 LYS 31 20.608 -20.357 -5.393 279 HZ1 LYS 31 HZ1 LYS 31 21.764 -17.800 -6.363 280 HZ2 LYS 31 HZ2 LYS 31 20.911 -18.014 -4.909 281 HZ3 LYS 31 HZ3 LYS 31 20.120 -18.217 -6.398 282 H LYS 32 HN LYS 32 21.452 -23.068 -0.852 283 HA LYS 32 HA LYS 32 21.892 -25.901 -1.542 284 HB2 LYS 32 HB2 LYS 32 21.905 -26.200 0.985 285 HB3 LYS 32 HB1 LYS 32 23.251 -25.293 0.302 286 HG2 LYS 32 HG2 LYS 32 22.462 -24.110 2.262 287 HG3 LYS 32 HG1 LYS 32 22.030 -23.171 0.840 288 HD2 LYS 32 HD2 LYS 32 19.764 -23.631 1.053 289 HD3 LYS 32 HD1 LYS 32 20.045 -25.159 1.889 290 HE2 LYS 32 HE2 LYS 32 20.526 -22.406 3.061 291 HE3 LYS 32 HE1 LYS 32 19.153 -23.449 3.430 292 HZ1 LYS 32 HZ1 LYS 32 20.372 -24.620 4.844 293 HZ2 LYS 32 HZ2 LYS 32 21.586 -23.440 4.694 294 HZ3 LYS 32 HZ3 LYS 32 21.623 -24.830 3.719 Start of MODEL 45 1 H1 LYS 1 HT1 LYS 1 27.361 19.339 0.492 2 H2 LYS 1 HT2 LYS 1 28.335 18.128 1.179 3 H3 LYS 1 HT3 LYS 1 27.805 19.436 2.125 4 HA LYS 1 HA LYS 1 26.513 17.485 2.650 5 HB2 LYS 1 HB2 LYS 1 24.531 18.978 1.053 6 HB3 LYS 1 HB1 LYS 1 24.585 18.684 2.791 7 HG2 LYS 1 HG2 LYS 1 26.446 20.383 2.938 8 HG3 LYS 1 HG1 LYS 1 26.146 20.769 1.242 9 HD2 LYS 1 HD2 LYS 1 23.730 21.208 1.876 10 HD3 LYS 1 HD1 LYS 1 24.227 21.076 3.564 11 HE2 LYS 1 HE2 LYS 1 24.710 23.281 3.442 12 HE3 LYS 1 HE1 LYS 1 26.111 22.802 2.484 13 HZ1 LYS 1 HZ1 LYS 1 24.353 24.486 1.560 14 HZ2 LYS 1 HZ2 LYS 1 23.526 23.064 1.133 15 HZ3 LYS 1 HZ3 LYS 1 25.092 23.350 0.540 16 H LYS 2 HN LYS 2 25.854 15.538 1.955 17 HA LYS 2 HA LYS 2 24.869 15.166 -0.756 18 HB2 LYS 2 HB2 LYS 2 27.331 14.953 -0.996 19 HB3 LYS 2 HB1 LYS 2 27.314 13.663 0.207 20 HG2 LYS 2 HG2 LYS 2 25.316 13.109 -1.786 21 HG3 LYS 2 HG1 LYS 2 26.854 13.431 -2.585 22 HD2 LYS 2 HD2 LYS 2 27.953 11.793 -1.054 23 HD3 LYS 2 HD1 LYS 2 26.371 11.419 -0.367 24 HE2 LYS 2 HE2 LYS 2 25.968 9.981 -2.045 25 HE3 LYS 2 HE1 LYS 2 26.166 11.279 -3.220 26 HZ1 LYS 2 HZ1 LYS 2 28.013 10.271 -3.868 27 HZ2 LYS 2 HZ2 LYS 2 27.932 9.151 -2.592 28 HZ3 LYS 2 HZ3 LYS 2 28.706 10.647 -2.366 29 H HIS 3 HN HIS 3 23.046 14.090 -0.385 30 HA HIS 3 HA HIS 3 21.500 12.732 0.671 31 HB2 HIS 3 HB2 HIS 3 21.840 10.672 -0.173 32 HB3 HIS 3 HB1 HIS 3 23.355 11.320 -0.798 33 HD2 HIS 3 HD2 HIS 3 22.543 8.239 0.913 34 HE1 HIS 3 HE1 HIS 3 25.978 9.500 3.014 35 HE2 HIS 3 HE2 HIS 3 24.428 7.535 2.575 36 H THR 4 HN THR 4 21.715 10.554 2.367 37 HA THR 4 HA THR 4 22.094 11.857 4.882 38 HB THR 4 HB THR 4 20.384 10.231 4.846 39 HG1 THR 4 HG1 THR 4 21.328 9.941 6.747 40 HG21 THR 4 HG21 THR 4 21.007 8.970 2.875 41 HG22 THR 4 HG22 THR 4 20.846 7.843 4.220 42 HG23 THR 4 HG23 THR 4 22.444 8.340 3.679 43 H ILE 5 HN ILE 5 23.228 8.741 5.285 44 HA ILE 5 HA ILE 5 26.049 9.647 5.334 45 HB ILE 5 HB ILE 5 26.218 7.982 7.282 46 HG12 ILE 5 HG12 ILE 5 23.408 8.547 7.944 47 HG13 ILE 5 HG11 ILE 5 23.612 7.441 6.586 48 HG21 ILE 5 HG21 ILE 5 24.965 10.691 7.263 49 HG22 ILE 5 HG22 ILE 5 26.493 10.169 7.972 50 HG23 ILE 5 HG23 ILE 5 24.970 9.800 8.786 51 HD11 ILE 5 HD11 ILE 5 23.541 6.387 8.928 52 HD12 ILE 5 HD12 ILE 5 25.140 7.090 9.164 53 HD13 ILE 5 HD13 ILE 5 24.877 5.909 7.882 54 H TRP 6 HN TRP 6 23.770 7.180 4.476 55 HA TRP 6 HA TRP 6 25.199 4.884 4.222 56 HB2 TRP 6 HB2 TRP 6 22.948 6.074 2.868 57 HB3 TRP 6 HB1 TRP 6 23.929 5.150 1.732 58 HD1 TRP 6 HD1 TRP 6 22.601 2.978 1.509 59 HE1 TRP 6 HE1 TRP 6 21.819 1.141 3.131 60 HE3 TRP 6 HE3 TRP 6 23.742 5.200 5.955 61 HZ2 TRP 6 HZ2 TRP 6 21.697 0.676 5.945 62 HZ3 TRP 6 HZ3 TRP 6 23.284 4.040 8.093 63 HH2 TRP 6 HH2 TRP 6 22.262 1.780 8.096 64 H GLU 7 HN GLU 7 25.021 7.095 1.426 65 HA GLU 7 HA GLU 7 27.104 5.999 -0.008 66 HB2 GLU 7 HB2 GLU 7 26.142 8.851 0.130 67 HB3 GLU 7 HB1 GLU 7 27.354 8.302 -1.025 68 HG2 GLU 7 HG2 GLU 7 25.025 6.539 -0.935 69 HG3 GLU 7 HG1 GLU 7 24.600 8.191 -1.380 70 H VAL 8 HN VAL 8 27.390 7.466 3.022 71 HA VAL 8 HA VAL 8 30.195 8.217 2.534 72 HB VAL 8 HB VAL 8 28.572 8.752 5.028 73 HG11 VAL 8 HG11 VAL 8 30.950 8.740 5.450 74 HG12 VAL 8 HG12 VAL 8 30.413 10.419 5.393 75 HG13 VAL 8 HG13 VAL 8 31.253 9.715 4.011 76 HG21 VAL 8 HG21 VAL 8 27.748 10.627 4.054 77 HG22 VAL 8 HG22 VAL 8 28.232 9.920 2.513 78 HG23 VAL 8 HG23 VAL 8 29.313 11.029 3.353 79 H ILE 9 HN ILE 9 28.165 5.999 4.363 80 HA ILE 9 HA ILE 9 30.605 4.629 5.304 81 HB ILE 9 HB ILE 9 29.623 5.253 7.284 82 HG12 ILE 9 HG12 ILE 9 29.481 2.592 6.802 83 HG13 ILE 9 HG11 ILE 9 29.020 3.324 8.325 84 HG21 ILE 9 HG21 ILE 9 27.106 5.262 7.606 85 HG22 ILE 9 HG22 ILE 9 26.985 5.020 5.859 86 HG23 ILE 9 HG23 ILE 9 27.775 6.458 6.503 87 HD11 ILE 9 HD11 ILE 9 26.710 3.246 7.814 88 HD12 ILE 9 HD12 ILE 9 27.337 1.689 7.284 89 HD13 ILE 9 HD13 ILE 9 27.007 2.949 6.106 90 H ALA 10 HN ALA 10 27.295 4.205 4.127 91 HA ALA 10 HA ALA 10 27.504 1.375 3.785 92 HB1 ALA 10 HB1 ALA 10 25.655 3.330 2.396 93 HB2 ALA 10 HB2 ALA 10 25.335 2.567 3.955 94 HB3 ALA 10 HB3 ALA 10 25.443 1.581 2.498 95 H GLY 11 HN GLY 11 27.199 3.895 1.266 96 HA2 GLY 11 HA2 GLY 11 28.029 2.370 -0.892 97 HA3 GLY 11 HA1 GLY 11 28.262 4.114 -0.775 98 H LEU 12 HN LEU 12 29.763 3.346 1.837 99 HA LEU 12 HA LEU 12 32.364 3.012 0.522 100 HB2 LEU 12 HB2 LEU 12 31.879 4.995 2.055 101 HB3 LEU 12 HB1 LEU 12 31.880 3.835 3.384 102 HG LEU 12 HG LEU 12 34.175 3.105 2.180 103 HD11 LEU 12 HD11 LEU 12 33.933 4.849 0.431 104 HD12 LEU 12 HD12 LEU 12 35.374 5.108 1.415 105 HD13 LEU 12 HD13 LEU 12 33.933 6.088 1.686 106 HD21 LEU 12 HD21 LEU 12 35.310 4.672 3.819 107 HD22 LEU 12 HD22 LEU 12 34.040 3.671 4.521 108 HD23 LEU 12 HD23 LEU 12 33.722 5.365 4.149 109 H VAL 13 HN VAL 13 30.145 1.540 2.769 110 HA VAL 13 HA VAL 13 32.095 -0.638 3.256 111 HB VAL 13 HB VAL 13 29.763 0.220 4.988 112 HG11 VAL 13 HG11 VAL 13 31.801 -2.005 5.192 113 HG12 VAL 13 HG12 VAL 13 30.043 -2.142 5.216 114 HG13 VAL 13 HG13 VAL 13 30.891 -1.424 6.586 115 HG21 VAL 13 HG21 VAL 13 31.330 1.207 6.426 116 HG22 VAL 13 HG22 VAL 13 31.993 1.611 4.843 117 HG23 VAL 13 HG23 VAL 13 32.669 0.269 5.764 118 H ALA 14 HN ALA 14 28.567 -0.065 3.091 119 HA ALA 14 HA ALA 14 27.659 -2.621 2.758 120 HB1 ALA 14 HB1 ALA 14 26.125 -0.741 2.805 121 HB2 ALA 14 HB2 ALA 14 25.857 -1.655 1.321 122 HB3 ALA 14 HB3 ALA 14 26.759 -0.139 1.272 123 H LEU 15 HN LEU 15 28.978 -0.513 0.210 124 HA LEU 15 HA LEU 15 28.711 -2.415 -1.877 125 HB2 LEU 15 HB2 LEU 15 29.059 0.021 -2.258 126 HB3 LEU 15 HB1 LEU 15 30.701 -0.138 -1.638 127 HG LEU 15 HG LEU 15 31.210 -1.774 -3.434 128 HD11 LEU 15 HD11 LEU 15 28.301 -1.358 -3.983 129 HD12 LEU 15 HD12 LEU 15 29.270 -2.825 -4.118 130 HD13 LEU 15 HD13 LEU 15 29.371 -1.583 -5.366 131 HD21 LEU 15 HD21 LEU 15 31.926 0.108 -4.448 132 HD22 LEU 15 HD22 LEU 15 30.593 1.042 -3.768 133 HD23 LEU 15 HD23 LEU 15 30.375 0.169 -5.285 134 H LEU 16 HN LEU 16 31.121 -1.820 0.579 135 HA LEU 16 HA LEU 16 32.948 -3.795 -0.579 136 HB2 LEU 16 HB2 LEU 16 33.331 -2.257 1.987 137 HB3 LEU 16 HB1 LEU 16 34.563 -3.013 0.974 138 HG LEU 16 HG LEU 16 32.863 -0.603 0.277 139 HD11 LEU 16 HD11 LEU 16 35.870 -0.802 0.323 140 HD12 LEU 16 HD12 LEU 16 34.966 -0.446 1.794 141 HD13 LEU 16 HD13 LEU 16 34.861 0.642 0.411 142 HD21 LEU 16 HD21 LEU 16 34.430 -0.660 -1.795 143 HD22 LEU 16 HD22 LEU 16 33.059 -1.770 -1.765 144 HD23 LEU 16 HD23 LEU 16 34.678 -2.356 -1.376 145 H THR 17 HN THR 17 30.223 -3.984 1.124 146 HA THR 17 HA THR 17 31.163 -6.294 2.709 147 HB THR 17 HB THR 17 29.320 -4.068 3.471 148 HG1 THR 17 HG1 THR 17 30.882 -5.525 5.237 149 HG21 THR 17 HG21 THR 17 27.819 -5.855 3.818 150 HG22 THR 17 HG22 THR 17 28.608 -5.661 5.383 151 HG23 THR 17 HG23 THR 17 29.107 -6.957 4.299 152 H PHE 18 HN PHE 18 28.129 -4.840 1.515 153 HA PHE 18 HA PHE 18 26.479 -6.983 1.411 154 HB2 PHE 18 HB2 PHE 18 26.174 -4.547 0.500 155 HB3 PHE 18 HB1 PHE 18 26.653 -5.261 -1.040 156 HD1 PHE 18 HD2 PHE 18 24.244 -5.625 1.788 157 HD2 PHE 18 HD1 PHE 18 25.117 -6.523 -2.320 158 HE1 PHE 18 HE2 PHE 18 21.953 -6.534 1.500 159 HE2 PHE 18 HE1 PHE 18 22.827 -7.433 -2.609 160 HZ PHE 18 HZ PHE 18 21.246 -7.438 -0.698 161 H LEU 19 HN LEU 19 28.928 -6.192 -1.050 162 HA LEU 19 HA LEU 19 28.397 -8.496 -2.657 163 HB2 LEU 19 HB2 LEU 19 30.623 -6.477 -2.524 164 HB3 LEU 19 HB1 LEU 19 30.763 -7.893 -3.561 165 HG LEU 19 HG LEU 19 29.806 -5.846 -4.703 166 HD11 LEU 19 HD11 LEU 19 27.509 -7.625 -4.887 167 HD12 LEU 19 HD12 LEU 19 29.019 -8.533 -4.910 168 HD13 LEU 19 HD13 LEU 19 28.736 -7.261 -6.098 169 HD21 LEU 19 HD21 LEU 19 27.336 -6.440 -3.066 170 HD22 LEU 19 HD22 LEU 19 27.633 -5.061 -4.124 171 HD23 LEU 19 HD23 LEU 19 28.500 -5.200 -2.594 172 H ALA 20 HN ALA 20 31.119 -7.679 -0.493 173 HA ALA 20 HA ALA 20 32.569 -9.990 -0.583 174 HB1 ALA 20 HB1 ALA 20 32.246 -7.823 1.277 175 HB2 ALA 20 HB2 ALA 20 33.660 -8.838 0.993 176 HB3 ALA 20 HB3 ALA 20 32.433 -9.338 2.158 177 H PHE 21 HN PHE 21 29.880 -9.399 1.693 178 HA PHE 21 HA PHE 21 29.814 -12.141 2.549 179 HB2 PHE 21 HB2 PHE 21 27.969 -9.792 2.994 180 HB3 PHE 21 HB1 PHE 21 27.663 -11.393 3.669 181 HD1 PHE 21 HD1 PHE 21 30.359 -8.799 3.424 182 HD2 PHE 21 HD2 PHE 21 28.612 -11.973 5.731 183 HE1 PHE 21 HE1 PHE 21 31.930 -8.314 5.281 184 HE2 PHE 21 HE2 PHE 21 30.183 -11.490 7.587 185 HZ PHE 21 HZ PHE 21 31.842 -9.659 7.363 186 H GLY 22 HN GLY 22 27.725 -10.099 0.516 187 HA2 GLY 22 HA2 GLY 22 25.701 -11.860 -0.095 188 HA3 GLY 22 HA1 GLY 22 26.324 -10.668 -1.228 189 H PHE 23 HN PHE 23 28.730 -11.463 -1.949 190 HA PHE 23 HA PHE 23 28.405 -13.408 -3.844 191 HB2 PHE 23 HB2 PHE 23 30.390 -12.328 -4.176 192 HB3 PHE 23 HB1 PHE 23 30.756 -12.247 -2.453 193 HD1 PHE 23 HD1 PHE 23 30.862 -14.370 -5.471 194 HD2 PHE 23 HD2 PHE 23 31.877 -14.066 -1.308 195 HE1 PHE 23 HE1 PHE 23 32.322 -16.363 -5.681 196 HE2 PHE 23 HE2 PHE 23 33.337 -16.058 -1.518 197 HZ PHE 23 HZ PHE 23 33.560 -17.209 -3.706 198 H TRP 24 HN TRP 24 29.235 -13.826 -0.451 199 HA TRP 24 HA TRP 24 29.633 -16.692 -0.764 200 HB2 TRP 24 HB2 TRP 24 31.102 -15.688 0.800 201 HB3 TRP 24 HB1 TRP 24 29.786 -14.811 1.584 202 HD1 TRP 24 HD1 TRP 24 30.564 -18.522 0.808 203 HE1 TRP 24 HE1 TRP 24 29.912 -19.926 2.873 204 HE3 TRP 24 HE3 TRP 24 28.807 -14.834 3.849 205 HZ2 TRP 24 HZ2 TRP 24 28.793 -19.529 5.470 206 HZ3 TRP 24 HZ3 TRP 24 27.952 -15.367 6.117 207 HH2 TRP 24 HH2 TRP 24 27.942 -17.708 6.929 208 H LEU 25 HN LEU 25 27.620 -14.740 1.422 209 HA LEU 25 HA LEU 25 25.917 -16.370 2.558 210 HB2 LEU 25 HB2 LEU 25 25.464 -13.768 1.232 211 HB3 LEU 25 HB1 LEU 25 24.019 -14.682 1.664 212 HG LEU 25 HG LEU 25 26.271 -14.314 3.621 213 HD11 LEU 25 HD11 LEU 25 25.090 -12.354 4.521 214 HD12 LEU 25 HD12 LEU 25 23.894 -12.472 3.231 215 HD13 LEU 25 HD13 LEU 25 25.569 -12.069 2.847 216 HD21 LEU 25 HD21 LEU 25 23.954 -15.819 3.686 217 HD22 LEU 25 HD22 LEU 25 23.475 -14.349 4.530 218 HD23 LEU 25 HD23 LEU 25 24.853 -15.286 5.105 219 H PHE 26 HN PHE 26 25.300 -15.388 -0.821 220 HA PHE 26 HA PHE 26 23.192 -17.272 -1.130 221 HB2 PHE 26 HB2 PHE 26 24.744 -16.058 -3.404 222 HB3 PHE 26 HB1 PHE 26 23.042 -16.521 -3.357 223 HD1 PHE 26 HD1 PHE 26 21.808 -15.399 -1.151 224 HD2 PHE 26 HD2 PHE 26 25.095 -13.751 -3.373 225 HE1 PHE 26 HE1 PHE 26 21.205 -13.132 -0.363 226 HE2 PHE 26 HE2 PHE 26 24.492 -11.482 -2.581 227 HZ PHE 26 HZ PHE 26 22.547 -11.171 -1.076 228 H LYS 27 HN LYS 27 26.452 -17.185 -2.617 229 HA LYS 27 HA LYS 27 26.240 -19.798 -3.689 230 HB2 LYS 27 HB2 LYS 27 28.630 -18.043 -3.120 231 HB3 LYS 27 HB1 LYS 27 28.744 -19.599 -3.943 232 HG2 LYS 27 HG2 LYS 27 27.547 -18.858 -5.804 233 HG3 LYS 27 HG1 LYS 27 26.757 -17.563 -4.905 234 HD2 LYS 27 HD2 LYS 27 28.516 -16.121 -5.171 235 HD3 LYS 27 HD1 LYS 27 29.720 -17.410 -5.088 236 HE2 LYS 27 HE2 LYS 27 29.313 -16.220 -7.377 237 HE3 LYS 27 HE1 LYS 27 29.456 -17.977 -7.349 238 HZ1 LYS 27 HZ1 LYS 27 27.379 -16.587 -8.393 239 HZ2 LYS 27 HZ2 LYS 27 26.783 -17.043 -6.869 240 HZ3 LYS 27 HZ3 LYS 27 27.340 -18.225 -7.955 241 H TYR 28 HN TYR 28 25.602 -19.689 -0.830 242 HA TYR 28 HA TYR 28 27.151 -21.990 -0.013 243 HB2 TYR 28 HB2 TYR 28 28.629 -20.811 1.222 244 HB3 TYR 28 HB1 TYR 28 27.682 -19.330 1.098 245 HD1 TYR 28 HD1 TYR 28 27.496 -22.713 2.712 246 HD2 TYR 28 HD2 TYR 28 26.668 -18.511 3.030 247 HE1 TYR 28 HE1 TYR 28 26.653 -23.053 5.022 248 HE2 TYR 28 HE2 TYR 28 25.822 -18.849 5.336 249 HH TYR 28 HH TYR 28 24.786 -20.919 6.628 250 H LEU 29 HN LEU 29 24.776 -19.514 0.905 251 HA LEU 29 HA LEU 29 23.334 -21.463 2.548 252 HB2 LEU 29 HB2 LEU 29 23.790 -18.859 2.992 253 HB3 LEU 29 HB1 LEU 29 22.276 -18.717 2.100 254 HG LEU 29 HG LEU 29 22.712 -20.453 4.550 255 HD11 LEU 29 HD11 LEU 29 21.084 -18.796 5.563 256 HD12 LEU 29 HD12 LEU 29 21.339 -17.789 4.138 257 HD13 LEU 29 HD13 LEU 29 22.688 -18.147 5.218 258 HD21 LEU 29 HD21 LEU 29 20.074 -20.353 4.335 259 HD22 LEU 29 HD22 LEU 29 20.996 -21.536 3.408 260 HD23 LEU 29 HD23 LEU 29 20.435 -20.054 2.635 261 H GLN 30 HN GLN 30 22.918 -19.527 -0.376 262 HA GLN 30 HA GLN 30 20.238 -20.494 -0.864 263 HB2 GLN 30 HB2 GLN 30 20.715 -18.300 -1.645 264 HB3 GLN 30 HB1 GLN 30 22.185 -18.828 -2.450 265 HG2 GLN 30 HG2 GLN 30 21.040 -19.863 -4.190 266 HG3 GLN 30 HG1 GLN 30 19.541 -19.982 -3.262 267 HE21 GLN 30 HE21 GLN 30 21.023 -16.916 -2.851 268 HE22 GLN 30 HE22 GLN 30 20.075 -16.056 -3.964 269 H LYS 31 HN LYS 31 23.173 -21.949 -1.058 270 HA LYS 31 HA LYS 31 22.444 -23.562 -3.426 271 HB2 LYS 31 HB2 LYS 31 24.991 -22.541 -2.391 272 HB3 LYS 31 HB1 LYS 31 25.033 -24.256 -2.795 273 HG2 LYS 31 HG2 LYS 31 25.646 -22.938 -4.759 274 HG3 LYS 31 HG1 LYS 31 24.092 -23.720 -5.042 275 HD2 LYS 31 HD2 LYS 31 23.545 -21.225 -3.788 276 HD3 LYS 31 HD1 LYS 31 24.718 -20.913 -5.065 277 HE2 LYS 31 HE2 LYS 31 23.257 -22.224 -6.640 278 HE3 LYS 31 HE1 LYS 31 22.046 -22.311 -5.361 279 HZ1 LYS 31 HZ1 LYS 31 21.342 -20.332 -6.007 280 HZ2 LYS 31 HZ2 LYS 31 22.606 -20.186 -7.133 281 HZ3 LYS 31 HZ3 LYS 31 22.825 -19.662 -5.533 282 H LYS 32 HN LYS 32 23.537 -23.724 -0.064 283 HA LYS 32 HA LYS 32 23.937 -26.375 0.368 284 HB2 LYS 32 HB2 LYS 32 23.102 -26.067 2.632 285 HB3 LYS 32 HB1 LYS 32 23.990 -24.626 2.133 286 HG2 LYS 32 HG2 LYS 32 22.145 -23.471 2.755 287 HG3 LYS 32 HG1 LYS 32 21.418 -24.088 1.272 288 HD2 LYS 32 HD2 LYS 32 20.748 -26.152 2.624 289 HD3 LYS 32 HD1 LYS 32 21.196 -25.233 4.062 290 HE2 LYS 32 HE2 LYS 32 19.086 -24.415 4.012 291 HE3 LYS 32 HE1 LYS 32 19.624 -23.444 2.641 292 HZ1 LYS 32 HZ1 LYS 32 18.790 -26.210 2.150 293 HZ2 LYS 32 HZ2 LYS 32 18.663 -24.846 1.146 294 HZ3 LYS 32 HZ3 LYS 32 17.586 -25.054 2.443 Start of MODEL 46 1 H1 LYS 1 HT1 LYS 1 22.747 17.157 -1.523 2 H2 LYS 1 HT2 LYS 1 22.859 18.738 -2.135 3 H3 LYS 1 HT3 LYS 1 23.031 18.455 -0.469 4 HA LYS 1 HA LYS 1 25.014 18.480 -2.456 5 HB2 LYS 1 HB2 LYS 1 25.329 19.472 -0.282 6 HB3 LYS 1 HB1 LYS 1 24.978 17.944 0.525 7 HG2 LYS 1 HG2 LYS 1 27.008 16.966 -0.180 8 HG3 LYS 1 HG1 LYS 1 27.256 18.180 -1.436 9 HD2 LYS 1 HD2 LYS 1 27.712 19.890 0.207 10 HD3 LYS 1 HD1 LYS 1 27.251 18.813 1.526 11 HE2 LYS 1 HE2 LYS 1 29.544 18.258 -0.375 12 HE3 LYS 1 HE1 LYS 1 29.741 19.017 1.205 13 HZ1 LYS 1 HZ1 LYS 1 28.612 16.322 0.673 14 HZ2 LYS 1 HZ2 LYS 1 28.689 17.057 2.201 15 HZ3 LYS 1 HZ3 LYS 1 30.118 16.661 1.374 16 H LYS 2 HN LYS 2 24.083 15.926 -0.131 17 HA LYS 2 HA LYS 2 24.733 13.866 -2.067 18 HB2 LYS 2 HB2 LYS 2 26.946 14.311 -1.143 19 HB3 LYS 2 HB1 LYS 2 26.319 14.138 0.497 20 HG2 LYS 2 HG2 LYS 2 25.892 11.816 0.203 21 HG3 LYS 2 HG1 LYS 2 26.076 11.927 -1.547 22 HD2 LYS 2 HD2 LYS 2 28.086 10.928 -0.579 23 HD3 LYS 2 HD1 LYS 2 28.473 12.523 -1.228 24 HE2 LYS 2 HE2 LYS 2 28.540 13.508 0.925 25 HE3 LYS 2 HE1 LYS 2 27.694 12.150 1.664 26 HZ1 LYS 2 HZ1 LYS 2 30.484 12.285 0.709 27 HZ2 LYS 2 HZ2 LYS 2 29.695 10.792 0.895 28 HZ3 LYS 2 HZ3 LYS 2 29.905 11.818 2.233 29 H HIS 3 HN HIS 3 24.165 11.709 -1.282 30 HA HIS 3 HA HIS 3 21.670 11.551 -0.103 31 HB2 HIS 3 HB2 HIS 3 22.914 9.738 -1.379 32 HB3 HIS 3 HB1 HIS 3 23.756 9.380 0.129 33 HD2 HIS 3 HD2 HIS 3 22.329 6.895 0.378 34 HE1 HIS 3 HE1 HIS 3 18.569 8.689 1.056 35 HE2 HIS 3 HE2 HIS 3 19.854 6.500 1.112 36 H THR 4 HN THR 4 21.468 9.938 1.966 37 HA THR 4 HA THR 4 21.930 11.528 4.217 38 HB THR 4 HB THR 4 20.232 9.846 4.319 39 HG1 THR 4 HG1 THR 4 21.262 10.171 6.282 40 HG21 THR 4 HG21 THR 4 22.291 8.233 3.080 41 HG22 THR 4 HG22 THR 4 20.553 7.944 3.165 42 HG23 THR 4 HG23 THR 4 21.603 7.397 4.473 43 H ILE 5 HN ILE 5 23.038 8.505 5.103 44 HA ILE 5 HA ILE 5 25.833 9.466 5.233 45 HB ILE 5 HB ILE 5 25.926 7.808 7.207 46 HG12 ILE 5 HG12 ILE 5 23.072 8.337 7.699 47 HG13 ILE 5 HG11 ILE 5 23.370 7.216 6.370 48 HG21 ILE 5 HG21 ILE 5 26.034 10.238 7.486 49 HG22 ILE 5 HG22 ILE 5 25.010 9.540 8.741 50 HG23 ILE 5 HG23 ILE 5 24.278 10.350 7.356 51 HD11 ILE 5 HD11 ILE 5 24.608 5.735 7.759 52 HD12 ILE 5 HD12 ILE 5 23.185 6.176 8.702 53 HD13 ILE 5 HD13 ILE 5 24.741 6.933 9.045 54 H TRP 6 HN TRP 6 23.675 6.905 4.323 55 HA TRP 6 HA TRP 6 25.184 4.655 4.146 56 HB2 TRP 6 HB2 TRP 6 22.949 5.758 2.686 57 HB3 TRP 6 HB1 TRP 6 24.009 4.862 1.598 58 HD1 TRP 6 HD1 TRP 6 22.813 2.617 1.338 59 HE1 TRP 6 HE1 TRP 6 22.010 0.775 2.947 60 HE3 TRP 6 HE3 TRP 6 23.576 4.965 5.798 61 HZ2 TRP 6 HZ2 TRP 6 21.728 0.358 5.757 62 HZ3 TRP 6 HZ3 TRP 6 23.032 3.825 7.931 63 HH2 TRP 6 HH2 TRP 6 22.108 1.525 7.916 64 H GLU 7 HN GLU 7 25.014 6.859 1.349 65 HA GLU 7 HA GLU 7 27.136 5.902 -0.088 66 HB2 GLU 7 HB2 GLU 7 25.979 8.641 0.233 67 HB3 GLU 7 HB1 GLU 7 27.427 8.421 -0.749 68 HG2 GLU 7 HG2 GLU 7 25.079 6.599 -1.163 69 HG3 GLU 7 HG1 GLU 7 25.050 8.218 -1.862 70 H VAL 8 HN VAL 8 27.299 7.369 2.994 71 HA VAL 8 HA VAL 8 30.124 8.088 2.657 72 HB VAL 8 HB VAL 8 28.563 8.473 5.196 73 HG11 VAL 8 HG11 VAL 8 31.142 8.823 4.792 74 HG12 VAL 8 HG12 VAL 8 30.224 10.020 5.706 75 HG13 VAL 8 HG13 VAL 8 30.612 10.313 4.011 76 HG21 VAL 8 HG21 VAL 8 28.628 10.304 2.774 77 HG22 VAL 8 HG22 VAL 8 27.924 10.706 4.340 78 HG23 VAL 8 HG23 VAL 8 27.211 9.431 3.353 79 H ILE 9 HN ILE 9 28.041 5.860 4.444 80 HA ILE 9 HA ILE 9 30.457 4.488 5.437 81 HB ILE 9 HB ILE 9 29.377 5.104 7.373 82 HG12 ILE 9 HG12 ILE 9 29.319 2.438 6.877 83 HG13 ILE 9 HG11 ILE 9 28.788 3.154 8.385 84 HG21 ILE 9 HG21 ILE 9 26.805 4.799 5.839 85 HG22 ILE 9 HG22 ILE 9 27.525 6.263 6.506 86 HG23 ILE 9 HG23 ILE 9 26.845 5.053 7.586 87 HD11 ILE 9 HD11 ILE 9 27.178 1.485 7.289 88 HD12 ILE 9 HD12 ILE 9 26.866 2.733 6.091 89 HD13 ILE 9 HD13 ILE 9 26.496 3.030 7.784 90 H ALA 10 HN ALA 10 27.193 4.019 4.136 91 HA ALA 10 HA ALA 10 27.476 1.198 3.773 92 HB1 ALA 10 HB1 ALA 10 25.280 2.330 3.885 93 HB2 ALA 10 HB2 ALA 10 25.457 1.383 2.410 94 HB3 ALA 10 HB3 ALA 10 25.632 3.138 2.358 95 H GLY 11 HN GLY 11 27.193 3.730 1.262 96 HA2 GLY 11 HA2 GLY 11 28.123 2.240 -0.878 97 HA3 GLY 11 HA1 GLY 11 28.315 3.988 -0.742 98 H LEU 12 HN LEU 12 29.754 3.255 1.907 99 HA LEU 12 HA LEU 12 32.398 2.978 0.668 100 HB2 LEU 12 HB2 LEU 12 31.817 4.941 2.203 101 HB3 LEU 12 HB1 LEU 12 31.832 3.771 3.522 102 HG LEU 12 HG LEU 12 34.165 3.105 2.387 103 HD11 LEU 12 HD11 LEU 12 35.319 5.021 1.486 104 HD12 LEU 12 HD12 LEU 12 33.965 6.084 1.869 105 HD13 LEU 12 HD13 LEU 12 33.799 4.867 0.604 106 HD21 LEU 12 HD21 LEU 12 33.942 3.754 4.713 107 HD22 LEU 12 HD22 LEU 12 33.646 5.434 4.262 108 HD23 LEU 12 HD23 LEU 12 35.237 4.718 4.003 109 H VAL 13 HN VAL 13 30.146 1.438 2.832 110 HA VAL 13 HA VAL 13 32.133 -0.695 3.364 111 HB VAL 13 HB VAL 13 29.741 0.095 5.044 112 HG11 VAL 13 HG11 VAL 13 31.856 -2.054 5.312 113 HG12 VAL 13 HG12 VAL 13 30.105 -2.264 5.258 114 HG13 VAL 13 HG13 VAL 13 30.860 -1.517 6.665 115 HG21 VAL 13 HG21 VAL 13 31.935 1.554 4.951 116 HG22 VAL 13 HG22 VAL 13 32.622 0.235 5.898 117 HG23 VAL 13 HG23 VAL 13 31.236 1.134 6.516 118 H ALA 14 HN ALA 14 28.597 -0.207 3.121 119 HA ALA 14 HA ALA 14 27.768 -2.786 2.767 120 HB1 ALA 14 HB1 ALA 14 26.792 -0.440 1.118 121 HB2 ALA 14 HB2 ALA 14 26.275 -0.788 2.768 122 HB3 ALA 14 HB3 ALA 14 25.901 -1.922 1.469 123 H LEU 15 HN LEU 15 29.242 -0.677 0.325 124 HA LEU 15 HA LEU 15 28.996 -2.559 -1.806 125 HB2 LEU 15 HB2 LEU 15 29.347 -0.115 -2.158 126 HB3 LEU 15 HB1 LEU 15 30.975 -0.282 -1.505 127 HG LEU 15 HG LEU 15 31.515 -1.911 -3.301 128 HD11 LEU 15 HD11 LEU 15 28.622 -1.473 -3.911 129 HD12 LEU 15 HD12 LEU 15 29.587 -2.943 -4.043 130 HD13 LEU 15 HD13 LEU 15 29.720 -1.688 -5.274 131 HD21 LEU 15 HD21 LEU 15 32.185 0.281 -3.834 132 HD22 LEU 15 HD22 LEU 15 30.523 0.848 -3.995 133 HD23 LEU 15 HD23 LEU 15 31.223 -0.192 -5.234 134 H LEU 16 HN LEU 16 31.354 -1.936 0.702 135 HA LEU 16 HA LEU 16 33.239 -3.872 -0.405 136 HB2 LEU 16 HB2 LEU 16 33.454 -2.435 2.239 137 HB3 LEU 16 HB1 LEU 16 34.752 -3.141 1.274 138 HG LEU 16 HG LEU 16 33.062 -0.735 0.540 139 HD11 LEU 16 HD11 LEU 16 34.983 -0.518 2.231 140 HD12 LEU 16 HD12 LEU 16 35.060 0.533 0.815 141 HD13 LEU 16 HD13 LEU 16 36.059 -0.918 0.892 142 HD21 LEU 16 HD21 LEU 16 34.806 -0.693 -1.392 143 HD22 LEU 16 HD22 LEU 16 33.450 -1.814 -1.516 144 HD23 LEU 16 HD23 LEU 16 35.035 -2.401 -1.014 145 H THR 17 HN THR 17 30.458 -4.006 1.352 146 HA THR 17 HA THR 17 31.322 -6.416 2.832 147 HB THR 17 HB THR 17 29.414 -4.226 3.537 148 HG1 THR 17 HG1 THR 17 31.328 -4.122 4.558 149 HG21 THR 17 HG21 THR 17 27.916 -6.036 3.761 150 HG22 THR 17 HG22 THR 17 28.616 -5.870 5.371 151 HG23 THR 17 HG23 THR 17 29.190 -7.136 4.288 152 H PHE 18 HN PHE 18 28.330 -4.969 1.524 153 HA PHE 18 HA PHE 18 26.800 -7.224 1.264 154 HB2 PHE 18 HB2 PHE 18 26.296 -4.741 0.655 155 HB3 PHE 18 HB1 PHE 18 26.836 -5.207 -0.959 156 HD1 PHE 18 HD1 PHE 18 24.330 -5.828 1.690 157 HD2 PHE 18 HD2 PHE 18 25.546 -6.722 -2.331 158 HE1 PHE 18 HE1 PHE 18 22.129 -6.883 1.257 159 HE2 PHE 18 HE2 PHE 18 23.347 -7.776 -2.764 160 HZ PHE 18 HZ PHE 18 21.634 -7.857 -0.970 161 H LEU 19 HN LEU 19 29.334 -6.093 -0.935 162 HA LEU 19 HA LEU 19 28.862 -8.174 -2.873 163 HB2 LEU 19 HB2 LEU 19 30.987 -6.077 -2.492 164 HB3 LEU 19 HB1 LEU 19 31.175 -7.337 -3.708 165 HG LEU 19 HG LEU 19 30.112 -5.210 -4.567 166 HD11 LEU 19 HD11 LEU 19 29.444 -7.874 -5.117 167 HD12 LEU 19 HD12 LEU 19 29.062 -6.473 -6.116 168 HD13 LEU 19 HD13 LEU 19 27.891 -7.061 -4.938 169 HD21 LEU 19 HD21 LEU 19 28.816 -4.900 -2.375 170 HD22 LEU 19 HD22 LEU 19 27.694 -6.108 -2.998 171 HD23 LEU 19 HD23 LEU 19 27.925 -4.591 -3.865 172 H ALA 20 HN ALA 20 30.451 -8.043 0.120 173 HA ALA 20 HA ALA 20 32.279 -10.242 -0.565 174 HB1 ALA 20 HB1 ALA 20 32.444 -8.043 1.204 175 HB2 ALA 20 HB2 ALA 20 33.622 -9.335 0.980 176 HB3 ALA 20 HB3 ALA 20 32.366 -9.490 2.207 177 H PHE 21 HN PHE 21 29.695 -9.434 1.737 178 HA PHE 21 HA PHE 21 29.542 -12.160 2.708 179 HB2 PHE 21 HB2 PHE 21 27.922 -9.668 3.245 180 HB3 PHE 21 HB1 PHE 21 27.546 -11.233 3.967 181 HD1 PHE 21 HD1 PHE 21 30.458 -8.922 3.448 182 HD2 PHE 21 HD2 PHE 21 28.538 -11.788 6.007 183 HE1 PHE 21 HE1 PHE 21 32.184 -8.527 5.183 184 HE2 PHE 21 HE2 PHE 21 30.265 -11.395 7.743 185 HZ PHE 21 HZ PHE 21 32.087 -9.765 7.329 186 H GLY 22 HN GLY 22 27.809 -10.056 0.491 187 HA2 GLY 22 HA2 GLY 22 25.540 -11.742 0.127 188 HA3 GLY 22 HA1 GLY 22 26.046 -10.439 -0.944 189 H PHE 23 HN PHE 23 28.437 -11.174 -1.908 190 HA PHE 23 HA PHE 23 27.860 -13.038 -3.885 191 HB2 PHE 23 HB2 PHE 23 29.660 -11.595 -4.326 192 HB3 PHE 23 HB1 PHE 23 30.432 -11.948 -2.779 193 HD1 PHE 23 HD1 PHE 23 29.464 -13.494 -6.032 194 HD2 PHE 23 HD2 PHE 23 31.993 -13.692 -2.568 195 HE1 PHE 23 HE1 PHE 23 30.748 -15.339 -7.075 196 HE2 PHE 23 HE2 PHE 23 33.277 -15.536 -3.611 197 HZ PHE 23 HZ PHE 23 32.654 -16.364 -5.866 198 H TRP 24 HN TRP 24 28.475 -13.538 -0.617 199 HA TRP 24 HA TRP 24 29.389 -16.307 -1.041 200 HB2 TRP 24 HB2 TRP 24 30.819 -15.113 0.466 201 HB3 TRP 24 HB1 TRP 24 29.439 -14.501 1.378 202 HD1 TRP 24 HD1 TRP 24 30.578 -18.034 0.283 203 HE1 TRP 24 HE1 TRP 24 30.368 -19.607 2.318 204 HE3 TRP 24 HE3 TRP 24 28.855 -14.736 3.758 205 HZ2 TRP 24 HZ2 TRP 24 29.572 -19.477 5.058 206 HZ3 TRP 24 HZ3 TRP 24 28.377 -15.478 6.079 207 HH2 TRP 24 HH2 TRP 24 28.733 -17.844 6.730 208 H LEU 25 HN LEU 25 27.367 -14.630 1.347 209 HA LEU 25 HA LEU 25 25.860 -16.577 2.378 210 HB2 LEU 25 HB2 LEU 25 25.215 -13.784 1.582 211 HB3 LEU 25 HB1 LEU 25 23.870 -14.819 2.065 212 HG LEU 25 HG LEU 25 26.375 -14.666 3.730 213 HD11 LEU 25 HD11 LEU 25 25.307 -12.899 5.066 214 HD12 LEU 25 HD12 LEU 25 23.953 -12.852 3.937 215 HD13 LEU 25 HD13 LEU 25 25.561 -12.353 3.409 216 HD21 LEU 25 HD21 LEU 25 24.115 -16.240 3.885 217 HD22 LEU 25 HD22 LEU 25 23.715 -14.913 4.974 218 HD23 LEU 25 HD23 LEU 25 25.173 -15.867 5.244 219 H PHE 26 HN PHE 26 24.934 -14.976 -0.694 220 HA PHE 26 HA PHE 26 22.839 -16.850 -1.186 221 HB2 PHE 26 HB2 PHE 26 24.100 -15.128 -3.295 222 HB3 PHE 26 HB1 PHE 26 22.424 -15.663 -3.164 223 HD1 PHE 26 HD1 PHE 26 21.459 -15.087 -0.622 224 HD2 PHE 26 HD2 PHE 26 24.378 -12.861 -2.850 225 HE1 PHE 26 HE1 PHE 26 20.895 -13.057 0.673 226 HE2 PHE 26 HE2 PHE 26 23.816 -10.823 -1.550 227 HZ PHE 26 HZ PHE 26 22.078 -10.923 0.215 228 H LYS 27 HN LYS 27 26.219 -16.850 -1.822 229 HA LYS 27 HA LYS 27 25.874 -19.094 -3.724 230 HB2 LYS 27 HB2 LYS 27 28.497 -17.705 -3.233 231 HB3 LYS 27 HB1 LYS 27 27.966 -18.591 -4.658 232 HG2 LYS 27 HG2 LYS 27 26.796 -15.939 -3.748 233 HG3 LYS 27 HG1 LYS 27 28.016 -16.110 -5.001 234 HD2 LYS 27 HD2 LYS 27 25.256 -17.361 -5.095 235 HD3 LYS 27 HD1 LYS 27 25.743 -15.909 -5.959 236 HE2 LYS 27 HE2 LYS 27 26.190 -17.403 -7.633 237 HE3 LYS 27 HE1 LYS 27 27.714 -17.583 -6.763 238 HZ1 LYS 27 HZ1 LYS 27 25.350 -19.344 -6.746 239 HZ2 LYS 27 HZ2 LYS 27 26.428 -19.347 -5.432 240 HZ3 LYS 27 HZ3 LYS 27 26.980 -19.743 -6.988 241 H TYR 28 HN TYR 28 25.568 -19.373 -0.843 242 HA TYR 28 HA TYR 28 27.380 -21.601 -0.494 243 HB2 TYR 28 HB2 TYR 28 28.931 -20.455 0.668 244 HB3 TYR 28 HB1 TYR 28 27.887 -19.046 0.836 245 HD1 TYR 28 HD1 TYR 28 28.145 -22.579 2.073 246 HD2 TYR 28 HD2 TYR 28 27.090 -18.511 2.966 247 HE1 TYR 28 HE1 TYR 28 27.658 -23.219 4.420 248 HE2 TYR 28 HE2 TYR 28 26.602 -19.152 5.310 249 HH TYR 28 HH TYR 28 27.646 -21.883 6.725 250 H LEU 29 HN LEU 29 25.172 -19.453 1.320 251 HA LEU 29 HA LEU 29 24.123 -21.676 2.854 252 HB2 LEU 29 HB2 LEU 29 24.229 -18.882 3.158 253 HB3 LEU 29 HB1 LEU 29 22.518 -19.276 2.991 254 HG LEU 29 HG LEU 29 24.443 -20.607 4.923 255 HD11 LEU 29 HD11 LEU 29 23.759 -18.203 5.412 256 HD12 LEU 29 HD12 LEU 29 23.330 -19.378 6.655 257 HD13 LEU 29 HD13 LEU 29 22.101 -18.790 5.535 258 HD21 LEU 29 HD21 LEU 29 21.819 -21.327 3.897 259 HD22 LEU 29 HD22 LEU 29 21.769 -21.080 5.643 260 HD23 LEU 29 HD23 LEU 29 22.893 -22.249 4.949 261 H GLN 30 HN GLN 30 22.963 -19.495 0.337 262 HA GLN 30 HA GLN 30 20.354 -20.602 0.120 263 HB2 GLN 30 HB2 GLN 30 20.753 -18.380 -0.645 264 HB3 GLN 30 HB1 GLN 30 22.068 -18.914 -1.675 265 HG2 GLN 30 HG2 GLN 30 20.689 -19.671 -3.318 266 HG3 GLN 30 HG1 GLN 30 19.421 -20.147 -2.182 267 HE21 GLN 30 HE21 GLN 30 20.781 -16.926 -1.875 268 HE22 GLN 30 HE22 GLN 30 19.445 -16.094 -2.509 269 H LYS 31 HN LYS 31 23.447 -21.600 -0.987 270 HA LYS 31 HA LYS 31 22.263 -23.424 -2.980 271 HB2 LYS 31 HB2 LYS 31 24.933 -22.163 -2.632 272 HB3 LYS 31 HB1 LYS 31 24.899 -23.791 -3.310 273 HG2 LYS 31 HG2 LYS 31 24.768 -22.013 -5.062 274 HG3 LYS 31 HG1 LYS 31 23.359 -23.076 -5.061 275 HD2 LYS 31 HD2 LYS 31 21.952 -21.441 -4.246 276 HD3 LYS 31 HD1 LYS 31 23.239 -20.632 -3.351 277 HE2 LYS 31 HE2 LYS 31 24.173 -19.749 -5.434 278 HE3 LYS 31 HE1 LYS 31 22.954 -20.613 -6.370 279 HZ1 LYS 31 HZ1 LYS 31 22.542 -18.377 -4.474 280 HZ2 LYS 31 HZ2 LYS 31 21.266 -19.346 -5.037 281 HZ3 LYS 31 HZ3 LYS 31 22.179 -18.419 -6.129 282 H LYS 32 HN LYS 32 24.456 -23.349 -0.185 283 HA LYS 32 HA LYS 32 25.200 -25.018 1.215 284 HB2 LYS 32 HB2 LYS 32 22.383 -25.074 1.094 285 HB3 LYS 32 HB1 LYS 32 22.908 -26.757 1.057 286 HG2 LYS 32 HG2 LYS 32 24.287 -26.394 3.056 287 HG3 LYS 32 HG1 LYS 32 23.823 -24.692 3.083 288 HD2 LYS 32 HD2 LYS 32 21.646 -26.742 3.049 289 HD3 LYS 32 HD1 LYS 32 22.526 -26.490 4.557 290 HE2 LYS 32 HE2 LYS 32 21.779 -24.309 4.793 291 HE3 LYS 32 HE1 LYS 32 21.557 -24.087 3.057 292 HZ1 LYS 32 HZ1 LYS 32 19.740 -25.850 3.319 293 HZ2 LYS 32 HZ2 LYS 32 19.411 -24.275 3.866 294 HZ3 LYS 32 HZ3 LYS 32 19.815 -25.495 4.976 Start of MODEL 47 1 H1 LYS 1 HT1 LYS 1 21.535 14.042 -6.136 2 H2 LYS 1 HT2 LYS 1 23.234 14.056 -6.176 3 H3 LYS 1 HT3 LYS 1 22.359 15.446 -6.613 4 HA LYS 1 HA LYS 1 23.004 15.988 -4.493 5 HB2 LYS 1 HB2 LYS 1 20.467 14.442 -3.926 6 HB3 LYS 1 HB1 LYS 1 21.018 15.937 -3.171 7 HG2 LYS 1 HG2 LYS 1 20.145 15.593 -6.054 8 HG3 LYS 1 HG1 LYS 1 19.275 16.464 -4.791 9 HD2 LYS 1 HD2 LYS 1 21.466 17.855 -4.565 10 HD3 LYS 1 HD1 LYS 1 21.850 17.212 -6.161 11 HE2 LYS 1 HE2 LYS 1 19.346 17.986 -6.667 12 HE3 LYS 1 HE1 LYS 1 19.688 19.108 -5.350 13 HZ1 LYS 1 HZ1 LYS 1 21.151 20.244 -6.586 14 HZ2 LYS 1 HZ2 LYS 1 20.354 19.534 -7.908 15 HZ3 LYS 1 HZ3 LYS 1 21.794 18.855 -7.316 16 H LYS 2 HN LYS 2 23.598 15.370 -2.338 17 HA LYS 2 HA LYS 2 24.660 12.661 -2.218 18 HB2 LYS 2 HB2 LYS 2 26.075 14.581 -1.565 19 HB3 LYS 2 HB1 LYS 2 24.936 14.975 -0.281 20 HG2 LYS 2 HG2 LYS 2 26.830 13.703 0.624 21 HG3 LYS 2 HG1 LYS 2 25.348 12.761 0.759 22 HD2 LYS 2 HD2 LYS 2 26.024 11.220 -0.806 23 HD3 LYS 2 HD1 LYS 2 26.934 12.410 -1.739 24 HE2 LYS 2 HE2 LYS 2 27.867 11.637 1.011 25 HE3 LYS 2 HE1 LYS 2 28.238 10.599 -0.367 26 HZ1 LYS 2 HZ1 LYS 2 29.679 12.077 -1.201 27 HZ2 LYS 2 HZ2 LYS 2 29.712 12.707 0.376 28 HZ3 LYS 2 HZ3 LYS 2 28.717 13.417 -0.804 29 H HIS 3 HN HIS 3 24.060 11.099 -0.775 30 HA HIS 3 HA HIS 3 21.408 11.344 0.363 31 HB2 HIS 3 HB2 HIS 3 22.334 9.274 -0.790 32 HB3 HIS 3 HB1 HIS 3 23.313 9.019 0.653 33 HD2 HIS 3 HD2 HIS 3 21.688 6.720 1.306 34 HE1 HIS 3 HE1 HIS 3 18.254 8.981 2.260 35 HE2 HIS 3 HE2 HIS 3 19.309 6.674 2.381 36 H THR 4 HN THR 4 21.360 9.988 2.638 37 HA THR 4 HA THR 4 22.168 11.787 4.605 38 HB THR 4 HB THR 4 20.450 10.234 5.153 39 HG1 THR 4 HG1 THR 4 21.809 8.918 6.837 40 HG21 THR 4 HG21 THR 4 22.242 8.364 3.829 41 HG22 THR 4 HG22 THR 4 20.509 8.232 4.127 42 HG23 THR 4 HG23 THR 4 21.656 7.722 5.362 43 H ILE 5 HN ILE 5 23.284 8.769 5.588 44 HA ILE 5 HA ILE 5 26.091 9.675 5.393 45 HB ILE 5 HB ILE 5 26.356 8.044 7.379 46 HG12 ILE 5 HG12 ILE 5 23.567 8.654 8.122 47 HG13 ILE 5 HG11 ILE 5 23.726 7.481 6.814 48 HG21 ILE 5 HG21 ILE 5 26.642 10.344 7.818 49 HG22 ILE 5 HG22 ILE 5 25.364 9.867 8.935 50 HG23 ILE 5 HG23 ILE 5 24.959 10.716 7.443 51 HD11 ILE 5 HD11 ILE 5 25.044 6.019 8.136 52 HD12 ILE 5 HD12 ILE 5 23.740 6.543 9.204 53 HD13 ILE 5 HD13 ILE 5 25.344 7.262 9.350 54 H TRP 6 HN TRP 6 23.817 7.183 4.664 55 HA TRP 6 HA TRP 6 25.269 4.889 4.417 56 HB2 TRP 6 HB2 TRP 6 22.924 5.999 3.160 57 HB3 TRP 6 HB1 TRP 6 23.867 5.087 1.981 58 HD1 TRP 6 HD1 TRP 6 22.642 2.846 1.853 59 HE1 TRP 6 HE1 TRP 6 21.977 1.025 3.546 60 HE3 TRP 6 HE3 TRP 6 23.825 5.228 6.204 61 HZ2 TRP 6 HZ2 TRP 6 21.953 0.633 6.374 62 HZ3 TRP 6 HZ3 TRP 6 23.472 4.109 8.386 63 HH2 TRP 6 HH2 TRP 6 22.537 1.815 8.478 64 H GLU 7 HN GLU 7 24.957 7.203 1.710 65 HA GLU 7 HA GLU 7 26.921 6.114 0.086 66 HB2 GLU 7 HB2 GLU 7 25.896 8.919 0.420 67 HB3 GLU 7 HB1 GLU 7 27.149 8.538 -0.760 68 HG2 GLU 7 HG2 GLU 7 25.629 6.781 -1.716 69 HG3 GLU 7 HG1 GLU 7 24.370 7.336 -0.614 70 H VAL 8 HN VAL 8 27.383 7.412 3.139 71 HA VAL 8 HA VAL 8 30.164 8.201 2.563 72 HB VAL 8 HB VAL 8 28.787 8.592 5.210 73 HG11 VAL 8 HG11 VAL 8 30.554 9.986 5.676 74 HG12 VAL 8 HG12 VAL 8 30.751 10.471 3.991 75 HG13 VAL 8 HG13 VAL 8 31.361 8.908 4.536 76 HG21 VAL 8 HG21 VAL 8 28.131 10.835 4.432 77 HG22 VAL 8 HG22 VAL 8 27.361 9.601 3.437 78 HG23 VAL 8 HG23 VAL 8 28.767 10.473 2.828 79 H ILE 9 HN ILE 9 28.193 6.017 4.520 80 HA ILE 9 HA ILE 9 30.649 4.593 5.317 81 HB ILE 9 HB ILE 9 29.730 5.207 7.331 82 HG12 ILE 9 HG12 ILE 9 29.548 2.549 6.826 83 HG13 ILE 9 HG11 ILE 9 29.150 3.270 8.372 84 HG21 ILE 9 HG21 ILE 9 27.221 5.240 7.726 85 HG22 ILE 9 HG22 ILE 9 27.045 5.002 5.985 86 HG23 ILE 9 HG23 ILE 9 27.861 6.434 6.605 87 HD11 ILE 9 HD11 ILE 9 27.411 1.664 7.383 88 HD12 ILE 9 HD12 ILE 9 27.056 2.933 6.219 89 HD13 ILE 9 HD13 ILE 9 26.818 3.226 7.937 90 H ALA 10 HN ALA 10 27.290 4.194 4.255 91 HA ALA 10 HA ALA 10 27.495 1.371 3.848 92 HB1 ALA 10 HB1 ALA 10 25.374 1.585 2.680 93 HB2 ALA 10 HB2 ALA 10 25.580 3.333 2.564 94 HB3 ALA 10 HB3 ALA 10 25.336 2.573 4.138 95 H GLY 11 HN GLY 11 27.063 3.938 1.396 96 HA2 GLY 11 HA2 GLY 11 27.802 2.460 -0.827 97 HA3 GLY 11 HA1 GLY 11 28.031 4.203 -0.686 98 H LEU 12 HN LEU 12 29.654 3.389 1.840 99 HA LEU 12 HA LEU 12 32.190 3.091 0.398 100 HB2 LEU 12 HB2 LEU 12 31.766 5.046 1.992 101 HB3 LEU 12 HB1 LEU 12 31.855 3.860 3.295 102 HG LEU 12 HG LEU 12 34.086 3.168 1.982 103 HD11 LEU 12 HD11 LEU 12 33.585 4.992 0.268 104 HD12 LEU 12 HD12 LEU 12 35.195 5.043 0.988 105 HD13 LEU 12 HD13 LEU 12 33.946 6.160 1.539 106 HD21 LEU 12 HD21 LEU 12 35.313 4.664 3.555 107 HD22 LEU 12 HD22 LEU 12 33.977 3.825 4.342 108 HD23 LEU 12 HD23 LEU 12 33.807 5.519 3.884 109 H VAL 13 HN VAL 13 30.089 1.568 2.724 110 HA VAL 13 HA VAL 13 32.083 -0.590 3.108 111 HB VAL 13 HB VAL 13 29.778 0.204 4.902 112 HG11 VAL 13 HG11 VAL 13 30.932 -1.475 6.439 113 HG12 VAL 13 HG12 VAL 13 31.823 -2.022 5.018 114 HG13 VAL 13 HG13 VAL 13 30.066 -2.163 5.065 115 HG21 VAL 13 HG21 VAL 13 32.696 0.237 5.631 116 HG22 VAL 13 HG22 VAL 13 31.368 1.164 6.328 117 HG23 VAL 13 HG23 VAL 13 32.009 1.598 4.745 118 H ALA 14 HN ALA 14 28.549 -0.074 2.986 119 HA ALA 14 HA ALA 14 27.669 -2.636 2.649 120 HB1 ALA 14 HB1 ALA 14 26.175 -0.672 2.698 121 HB2 ALA 14 HB2 ALA 14 25.808 -1.722 1.331 122 HB3 ALA 14 HB3 ALA 14 26.712 -0.229 1.077 123 H LEU 15 HN LEU 15 28.912 -0.503 0.077 124 HA LEU 15 HA LEU 15 28.666 -2.414 -1.998 125 HB2 LEU 15 HB2 LEU 15 28.969 0.025 -2.389 126 HB3 LEU 15 HB1 LEU 15 30.619 -0.103 -1.781 127 HG LEU 15 HG LEU 15 31.142 -1.735 -3.580 128 HD11 LEU 15 HD11 LEU 15 29.285 -1.583 -5.496 129 HD12 LEU 15 HD12 LEU 15 28.222 -1.371 -4.106 130 HD13 LEU 15 HD13 LEU 15 29.214 -2.822 -4.243 131 HD21 LEU 15 HD21 LEU 15 30.828 -0.067 -5.512 132 HD22 LEU 15 HD22 LEU 15 31.704 0.518 -4.097 133 HD23 LEU 15 HD23 LEU 15 30.014 0.966 -4.335 134 H LEU 16 HN LEU 16 31.078 -1.789 0.439 135 HA LEU 16 HA LEU 16 32.923 -3.743 -0.732 136 HB2 LEU 16 HB2 LEU 16 33.338 -2.168 1.804 137 HB3 LEU 16 HB1 LEU 16 34.557 -2.907 0.764 138 HG LEU 16 HG LEU 16 32.785 -0.544 0.086 139 HD11 LEU 16 HD11 LEU 16 34.753 0.754 0.166 140 HD12 LEU 16 HD12 LEU 16 35.798 -0.663 0.067 141 HD13 LEU 16 HD13 LEU 16 34.917 -0.319 1.555 142 HD21 LEU 16 HD21 LEU 16 32.968 -1.726 -1.948 143 HD22 LEU 16 HD22 LEU 16 34.605 -2.272 -1.588 144 HD23 LEU 16 HD23 LEU 16 34.313 -0.588 -2.019 145 H THR 17 HN THR 17 30.225 -3.997 0.959 146 HA THR 17 HA THR 17 31.229 -6.246 2.590 147 HB THR 17 HB THR 17 29.390 -4.020 3.344 148 HG1 THR 17 HG1 THR 17 31.738 -4.857 4.036 149 HG21 THR 17 HG21 THR 17 29.147 -6.900 4.210 150 HG22 THR 17 HG22 THR 17 27.869 -5.797 3.698 151 HG23 THR 17 HG23 THR 17 28.648 -5.579 5.264 152 H PHE 18 HN PHE 18 28.175 -4.854 1.378 153 HA PHE 18 HA PHE 18 26.542 -7.011 1.335 154 HB2 PHE 18 HB2 PHE 18 26.225 -4.600 0.352 155 HB3 PHE 18 HB1 PHE 18 26.691 -5.365 -1.167 156 HD1 PHE 18 HD1 PHE 18 24.355 -5.749 1.731 157 HD2 PHE 18 HD2 PHE 18 25.102 -6.567 -2.418 158 HE1 PHE 18 HE1 PHE 18 22.066 -6.678 1.502 159 HE2 PHE 18 HE2 PHE 18 22.815 -7.498 -2.647 160 HZ PHE 18 HZ PHE 18 21.296 -7.552 -0.688 161 H LEU 19 HN LEU 19 29.003 -6.279 -1.130 162 HA LEU 19 HA LEU 19 28.478 -8.662 -2.647 163 HB2 LEU 19 HB2 LEU 19 30.618 -6.549 -2.678 164 HB3 LEU 19 HB1 LEU 19 30.801 -8.011 -3.642 165 HG LEU 19 HG LEU 19 29.729 -6.078 -4.868 166 HD11 LEU 19 HD11 LEU 19 29.056 -8.802 -4.909 167 HD12 LEU 19 HD12 LEU 19 28.692 -7.613 -6.158 168 HD13 LEU 19 HD13 LEU 19 27.508 -7.958 -4.898 169 HD21 LEU 19 HD21 LEU 19 28.442 -5.362 -2.775 170 HD22 LEU 19 HD22 LEU 19 27.327 -6.680 -3.135 171 HD23 LEU 19 HD23 LEU 19 27.531 -5.359 -4.285 172 H ALA 20 HN ALA 20 31.126 -7.650 -0.481 173 HA ALA 20 HA ALA 20 32.728 -9.872 -0.547 174 HB1 ALA 20 HB1 ALA 20 32.391 -9.050 2.199 175 HB2 ALA 20 HB2 ALA 20 32.434 -7.642 1.138 176 HB3 ALA 20 HB3 ALA 20 33.765 -8.798 1.122 177 H PHE 21 HN PHE 21 29.963 -9.402 1.668 178 HA PHE 21 HA PHE 21 30.075 -12.153 2.545 179 HB2 PHE 21 HB2 PHE 21 28.130 -9.901 3.073 180 HB3 PHE 21 HB1 PHE 21 27.960 -11.514 3.765 181 HD1 PHE 21 HD1 PHE 21 30.415 -8.708 3.423 182 HD2 PHE 21 HD2 PHE 21 29.095 -12.074 5.743 183 HE1 PHE 21 HE1 PHE 21 32.039 -8.120 5.201 184 HE2 PHE 21 HE2 PHE 21 30.720 -11.485 7.520 185 HZ PHE 21 HZ PHE 21 32.193 -9.508 7.251 186 H GLY 22 HN GLY 22 27.951 -10.182 0.494 187 HA2 GLY 22 HA2 GLY 22 25.920 -11.980 -0.035 188 HA3 GLY 22 HA1 GLY 22 26.508 -10.799 -1.199 189 H PHE 23 HN PHE 23 29.003 -11.633 -1.792 190 HA PHE 23 HA PHE 23 28.670 -13.600 -3.702 191 HB2 PHE 23 HB2 PHE 23 30.644 -12.514 -4.065 192 HB3 PHE 23 HB1 PHE 23 31.000 -12.366 -2.343 193 HD1 PHE 23 HD1 PHE 23 30.832 -14.848 -5.131 194 HD2 PHE 23 HD2 PHE 23 32.471 -13.870 -1.283 195 HE1 PHE 23 HE1 PHE 23 32.327 -16.821 -5.267 196 HE2 PHE 23 HE2 PHE 23 33.967 -15.843 -1.420 197 HZ PHE 23 HZ PHE 23 33.896 -17.319 -3.412 198 H TRP 24 HN TRP 24 29.048 -13.939 -0.295 199 HA TRP 24 HA TRP 24 29.617 -16.813 -0.539 200 HB2 TRP 24 HB2 TRP 24 31.104 -15.791 1.002 201 HB3 TRP 24 HB1 TRP 24 29.800 -14.875 1.762 202 HD1 TRP 24 HD1 TRP 24 30.553 -18.597 1.071 203 HE1 TRP 24 HE1 TRP 24 29.850 -19.965 3.145 204 HE3 TRP 24 HE3 TRP 24 28.759 -14.850 4.013 205 HZ2 TRP 24 HZ2 TRP 24 28.677 -19.517 5.711 206 HZ3 TRP 24 HZ3 TRP 24 27.851 -15.339 6.270 207 HH2 TRP 24 HH2 TRP 24 27.808 -17.666 7.121 208 H LEU 25 HN LEU 25 27.614 -14.735 1.548 209 HA LEU 25 HA LEU 25 25.911 -16.375 2.719 210 HB2 LEU 25 HB2 LEU 25 25.490 -13.741 1.444 211 HB3 LEU 25 HB1 LEU 25 24.041 -14.632 1.899 212 HG LEU 25 HG LEU 25 26.324 -14.362 3.842 213 HD11 LEU 25 HD11 LEU 25 25.794 -12.079 3.065 214 HD12 LEU 25 HD12 LEU 25 25.278 -12.320 4.734 215 HD13 LEU 25 HD13 LEU 25 24.091 -12.354 3.431 216 HD21 LEU 25 HD21 LEU 25 23.323 -14.759 4.081 217 HD22 LEU 25 HD22 LEU 25 24.363 -14.419 5.460 218 HD23 LEU 25 HD23 LEU 25 24.593 -15.899 4.534 219 H PHE 26 HN PHE 26 25.396 -15.395 -0.674 220 HA PHE 26 HA PHE 26 23.199 -17.200 -1.003 221 HB2 PHE 26 HB2 PHE 26 24.811 -16.043 -3.260 222 HB3 PHE 26 HB1 PHE 26 23.088 -16.410 -3.213 223 HD1 PHE 26 HD2 PHE 26 22.011 -15.233 -0.886 224 HD2 PHE 26 HD1 PHE 26 25.200 -13.746 -3.352 225 HE1 PHE 26 HE2 PHE 26 21.533 -12.931 -0.115 226 HE2 PHE 26 HE1 PHE 26 24.722 -11.439 -2.575 227 HZ PHE 26 HZ PHE 26 22.891 -11.034 -0.955 228 H LYS 27 HN LYS 27 26.413 -17.202 -2.577 229 HA LYS 27 HA LYS 27 26.227 -19.701 -3.745 230 HB2 LYS 27 HB2 LYS 27 28.541 -18.050 -2.810 231 HB3 LYS 27 HB1 LYS 27 28.820 -19.677 -3.436 232 HG2 LYS 27 HG2 LYS 27 28.032 -19.146 -5.557 233 HG3 LYS 27 HG1 LYS 27 27.042 -17.813 -4.964 234 HD2 LYS 27 HD2 LYS 27 28.817 -16.334 -4.903 235 HD3 LYS 27 HD1 LYS 27 30.011 -17.611 -4.659 236 HE2 LYS 27 HE2 LYS 27 29.810 -16.406 -7.002 237 HE3 LYS 27 HE1 LYS 27 30.100 -18.144 -6.920 238 HZ1 LYS 27 HZ1 LYS 27 28.122 -17.060 -8.317 239 HZ2 LYS 27 HZ2 LYS 27 27.318 -17.307 -6.841 240 HZ3 LYS 27 HZ3 LYS 27 28.040 -18.617 -7.650 241 H TYR 28 HN TYR 28 25.988 -19.200 -0.492 242 HA TYR 28 HA TYR 28 26.967 -21.933 0.093 243 HB2 TYR 28 HB2 TYR 28 28.384 -21.007 1.557 244 HB3 TYR 28 HB1 TYR 28 27.643 -19.419 1.381 245 HD1 TYR 28 HD2 TYR 28 26.887 -22.778 2.877 246 HD2 TYR 28 HD1 TYR 28 26.551 -18.514 3.223 247 HE1 TYR 28 HE2 TYR 28 25.795 -23.044 5.089 248 HE2 TYR 28 HE1 TYR 28 25.454 -18.772 5.431 249 HH TYR 28 HH TYR 28 25.621 -21.325 7.270 250 H LEU 29 HN LEU 29 24.633 -19.396 1.028 251 HA LEU 29 HA LEU 29 22.997 -21.432 2.352 252 HB2 LEU 29 HB2 LEU 29 22.205 -19.767 3.641 253 HB3 LEU 29 HB1 LEU 29 23.518 -18.811 2.983 254 HG LEU 29 HG LEU 29 21.901 -18.162 1.088 255 HD11 LEU 29 HD11 LEU 29 20.255 -20.027 2.483 256 HD12 LEU 29 HD12 LEU 29 19.814 -19.027 1.099 257 HD13 LEU 29 HD13 LEU 29 19.553 -18.429 2.736 258 HD21 LEU 29 HD21 LEU 29 22.562 -16.661 2.927 259 HD22 LEU 29 HD22 LEU 29 21.279 -17.328 3.934 260 HD23 LEU 29 HD23 LEU 29 20.875 -16.412 2.481 261 H GLN 30 HN GLN 30 22.991 -19.389 -0.506 262 HA GLN 30 HA GLN 30 20.290 -20.190 -1.235 263 HB2 GLN 30 HB2 GLN 30 20.992 -17.937 -1.796 264 HB3 GLN 30 HB1 GLN 30 22.374 -18.559 -2.696 265 HG2 GLN 30 HG2 GLN 30 21.086 -19.318 -4.452 266 HG3 GLN 30 HG1 GLN 30 19.651 -19.523 -3.450 267 HE21 GLN 30 HE21 GLN 30 21.213 -16.488 -2.924 268 HE22 GLN 30 HE22 GLN 30 20.174 -15.547 -3.878 269 H LYS 31 HN LYS 31 23.433 -21.415 -1.571 270 HA LYS 31 HA LYS 31 22.651 -23.075 -3.892 271 HB2 LYS 31 HB2 LYS 31 25.260 -22.000 -2.923 272 HB3 LYS 31 HB1 LYS 31 25.255 -23.561 -3.742 273 HG2 LYS 31 HG2 LYS 31 25.593 -21.631 -5.304 274 HG3 LYS 31 HG1 LYS 31 24.165 -22.592 -5.688 275 HD2 LYS 31 HD2 LYS 31 22.691 -20.963 -4.901 276 HD3 LYS 31 HD1 LYS 31 23.908 -20.224 -3.860 277 HE2 LYS 31 HE2 LYS 31 24.830 -18.994 -5.572 278 HE3 LYS 31 HE1 LYS 31 24.447 -20.211 -6.789 279 HZ1 LYS 31 HZ1 LYS 31 23.021 -18.405 -7.191 280 HZ2 LYS 31 HZ2 LYS 31 22.617 -18.239 -5.549 281 HZ3 LYS 31 HZ3 LYS 31 22.058 -19.577 -6.435 282 H LYS 32 HN LYS 32 24.274 -23.181 -0.729 283 HA LYS 32 HA LYS 32 24.703 -24.943 0.698 284 HB2 LYS 32 HB2 LYS 32 21.880 -24.980 -0.063 285 HB3 LYS 32 HB1 LYS 32 22.464 -26.552 0.485 286 HG2 LYS 32 HG2 LYS 32 23.351 -25.530 2.535 287 HG3 LYS 32 HG1 LYS 32 22.820 -23.941 1.986 288 HD2 LYS 32 HD2 LYS 32 20.777 -26.113 2.064 289 HD3 LYS 32 HD1 LYS 32 21.311 -25.446 3.607 290 HE2 LYS 32 HE2 LYS 32 20.402 -23.718 1.296 291 HE3 LYS 32 HE1 LYS 32 19.313 -24.273 2.567 292 HZ1 LYS 32 HZ1 LYS 32 21.133 -22.127 2.625 293 HZ2 LYS 32 HZ2 LYS 32 21.575 -23.256 3.814 294 HZ3 LYS 32 HZ3 LYS 32 20.010 -22.596 3.805 Start of MODEL 48 1 H1 LYS 1 HT1 LYS 1 20.492 16.316 -1.156 2 H2 LYS 1 HT2 LYS 1 19.840 14.890 -0.501 3 H3 LYS 1 HT3 LYS 1 18.927 16.322 -0.502 4 HA LYS 1 HA LYS 1 17.990 15.328 -2.295 5 HB2 LYS 1 HB2 LYS 1 19.056 17.436 -3.043 6 HB3 LYS 1 HB1 LYS 1 20.513 16.538 -3.470 7 HG2 LYS 1 HG2 LYS 1 19.423 15.368 -5.214 8 HG3 LYS 1 HG1 LYS 1 17.820 15.785 -4.604 9 HD2 LYS 1 HD2 LYS 1 17.976 18.012 -5.347 10 HD3 LYS 1 HD1 LYS 1 19.734 17.937 -5.488 11 HE2 LYS 1 HE2 LYS 1 18.596 17.858 -7.706 12 HE3 LYS 1 HE1 LYS 1 19.558 16.415 -7.386 13 HZ1 LYS 1 HZ1 LYS 1 17.559 15.564 -8.129 14 HZ2 LYS 1 HZ2 LYS 1 16.629 16.738 -7.327 15 HZ3 LYS 1 HZ3 LYS 1 17.373 15.490 -6.446 16 H LYS 2 HN LYS 2 21.493 14.663 -2.371 17 HA LYS 2 HA LYS 2 21.453 12.515 -4.158 18 HB2 LYS 2 HB2 LYS 2 23.509 13.657 -3.329 19 HB3 LYS 2 HB1 LYS 2 23.291 12.850 -1.776 20 HG2 LYS 2 HG2 LYS 2 23.085 10.867 -3.818 21 HG3 LYS 2 HG1 LYS 2 24.531 11.822 -4.141 22 HD2 LYS 2 HD2 LYS 2 23.847 10.585 -1.458 23 HD3 LYS 2 HD1 LYS 2 24.988 9.905 -2.617 24 HE2 LYS 2 HE2 LYS 2 25.667 12.649 -2.256 25 HE3 LYS 2 HE1 LYS 2 25.456 11.937 -0.656 26 HZ1 LYS 2 HZ1 LYS 2 27.305 11.122 -2.808 27 HZ2 LYS 2 HZ2 LYS 2 26.862 10.035 -1.578 28 HZ3 LYS 2 HZ3 LYS 2 27.656 11.487 -1.190 29 H HIS 3 HN HIS 3 21.923 12.124 -0.647 30 HA HIS 3 HA HIS 3 19.810 10.187 -0.408 31 HB2 HIS 3 HB2 HIS 3 21.697 8.927 -1.569 32 HB3 HIS 3 HB1 HIS 3 22.617 9.125 -0.078 33 HD2 HIS 3 HD2 HIS 3 22.288 6.208 0.206 34 HE1 HIS 3 HE1 HIS 3 18.247 6.529 1.382 35 HE2 HIS 3 HE2 HIS 3 20.243 4.965 1.246 36 H THR 4 HN THR 4 21.873 8.930 1.641 37 HA THR 4 HA THR 4 21.508 11.001 3.724 38 HB THR 4 HB THR 4 19.900 9.289 4.194 39 HG1 THR 4 HG1 THR 4 21.336 8.190 6.004 40 HG21 THR 4 HG21 THR 4 21.444 6.952 4.585 41 HG22 THR 4 HG22 THR 4 21.903 7.590 3.007 42 HG23 THR 4 HG23 THR 4 20.213 7.230 3.355 43 H ILE 5 HN ILE 5 22.823 8.191 4.935 44 HA ILE 5 HA ILE 5 25.564 9.272 4.697 45 HB ILE 5 HB ILE 5 25.904 7.853 6.827 46 HG12 ILE 5 HG12 ILE 5 23.071 8.313 7.491 47 HG13 ILE 5 HG11 ILE 5 23.328 7.055 6.282 48 HG21 ILE 5 HG21 ILE 5 26.044 10.095 7.297 49 HG22 ILE 5 HG22 ILE 5 24.512 9.770 8.106 50 HG23 ILE 5 HG23 ILE 5 24.522 10.465 6.487 51 HD11 ILE 5 HD11 ILE 5 24.921 7.154 8.843 52 HD12 ILE 5 HD12 ILE 5 24.737 5.803 7.726 53 HD13 ILE 5 HD13 ILE 5 23.379 6.305 8.734 54 H TRP 6 HN TRP 6 23.490 6.565 4.162 55 HA TRP 6 HA TRP 6 25.120 4.372 4.150 56 HB2 TRP 6 HB2 TRP 6 22.705 5.169 2.790 57 HB3 TRP 6 HB1 TRP 6 23.727 4.230 1.704 58 HD1 TRP 6 HD1 TRP 6 22.708 1.887 1.784 59 HE1 TRP 6 HE1 TRP 6 22.174 0.187 3.641 60 HE3 TRP 6 HE3 TRP 6 23.614 4.770 5.891 61 HZ2 TRP 6 HZ2 TRP 6 22.136 0.068 6.493 62 HZ3 TRP 6 HZ3 TRP 6 23.321 3.841 8.171 63 HH2 TRP 6 HH2 TRP 6 22.584 1.494 8.477 64 H GLU 7 HN GLU 7 24.731 6.585 1.371 65 HA GLU 7 HA GLU 7 26.716 5.465 -0.244 66 HB2 GLU 7 HB2 GLU 7 25.076 7.818 -0.226 67 HB3 GLU 7 HB1 GLU 7 26.717 8.248 -0.705 68 HG2 GLU 7 HG2 GLU 7 25.135 5.962 -1.907 69 HG3 GLU 7 HG1 GLU 7 25.271 7.562 -2.634 70 H VAL 8 HN VAL 8 27.074 7.054 2.707 71 HA VAL 8 HA VAL 8 29.821 7.918 2.101 72 HB VAL 8 HB VAL 8 28.342 8.403 4.682 73 HG11 VAL 8 HG11 VAL 8 30.951 8.799 4.009 74 HG12 VAL 8 HG12 VAL 8 30.083 9.788 5.182 75 HG13 VAL 8 HG13 VAL 8 30.250 10.340 3.516 76 HG21 VAL 8 HG21 VAL 8 27.680 10.587 3.724 77 HG22 VAL 8 HG22 VAL 8 26.961 9.258 2.816 78 HG23 VAL 8 HG23 VAL 8 28.363 10.110 2.171 79 H ILE 9 HN ILE 9 27.960 5.786 4.228 80 HA ILE 9 HA ILE 9 30.485 4.571 5.141 81 HB ILE 9 HB ILE 9 29.488 5.279 7.088 82 HG12 ILE 9 HG12 ILE 9 29.497 2.576 6.783 83 HG13 ILE 9 HG11 ILE 9 29.048 3.390 8.268 84 HG21 ILE 9 HG21 ILE 9 26.980 5.167 7.448 85 HG22 ILE 9 HG22 ILE 9 26.847 4.764 5.734 86 HG23 ILE 9 HG23 ILE 9 27.548 6.303 6.231 87 HD11 ILE 9 HD11 ILE 9 26.988 2.736 6.156 88 HD12 ILE 9 HD12 ILE 9 26.724 3.161 7.841 89 HD13 ILE 9 HD13 ILE 9 27.424 1.599 7.424 90 H ALA 10 HN ALA 10 27.160 3.823 4.126 91 HA ALA 10 HA ALA 10 27.623 1.011 3.920 92 HB1 ALA 10 HB1 ALA 10 25.490 0.935 2.776 93 HB2 ALA 10 HB2 ALA 10 25.535 2.677 2.501 94 HB3 ALA 10 HB3 ALA 10 25.366 2.045 4.139 95 H GLY 11 HN GLY 11 26.986 3.357 1.298 96 HA2 GLY 11 HA2 GLY 11 27.831 1.782 -0.820 97 HA3 GLY 11 HA1 GLY 11 27.916 3.543 -0.807 98 H LEU 12 HN LEU 12 29.610 3.023 1.764 99 HA LEU 12 HA LEU 12 32.157 2.826 0.317 100 HB2 LEU 12 HB2 LEU 12 31.588 4.882 1.722 101 HB3 LEU 12 HB1 LEU 12 31.767 3.837 3.133 102 HG LEU 12 HG LEU 12 34.035 3.233 1.714 103 HD11 LEU 12 HD11 LEU 12 34.984 5.212 0.799 104 HD12 LEU 12 HD12 LEU 12 33.731 6.232 1.504 105 HD13 LEU 12 HD13 LEU 12 33.340 5.160 0.159 106 HD21 LEU 12 HD21 LEU 12 33.628 5.423 3.777 107 HD22 LEU 12 HD22 LEU 12 35.182 4.694 3.375 108 HD23 LEU 12 HD23 LEU 12 33.915 3.717 4.118 109 H VAL 13 HN VAL 13 30.189 1.320 2.760 110 HA VAL 13 HA VAL 13 32.390 -0.565 3.374 111 HB VAL 13 HB VAL 13 29.934 0.133 5.000 112 HG11 VAL 13 HG11 VAL 13 32.045 -2.002 5.266 113 HG12 VAL 13 HG12 VAL 13 30.295 -2.150 5.437 114 HG13 VAL 13 HG13 VAL 13 31.241 -1.352 6.694 115 HG21 VAL 13 HG21 VAL 13 31.402 1.259 6.452 116 HG22 VAL 13 HG22 VAL 13 32.055 1.673 4.868 117 HG23 VAL 13 HG23 VAL 13 32.816 0.409 5.834 118 H ALA 14 HN ALA 14 28.838 -0.459 2.984 119 HA ALA 14 HA ALA 14 28.255 -3.124 2.862 120 HB1 ALA 14 HB1 ALA 14 26.857 -1.956 0.687 121 HB2 ALA 14 HB2 ALA 14 27.033 -0.707 1.918 122 HB3 ALA 14 HB3 ALA 14 26.266 -2.242 2.323 123 H LEU 15 HN LEU 15 29.433 -1.123 0.159 124 HA LEU 15 HA LEU 15 29.562 -3.208 -1.742 125 HB2 LEU 15 HB2 LEU 15 31.308 -0.737 -1.580 126 HB3 LEU 15 HB1 LEU 15 30.989 -1.707 -3.021 127 HG LEU 15 HG LEU 15 28.898 -0.207 -1.422 128 HD11 LEU 15 HD11 LEU 15 30.705 0.946 -3.070 129 HD12 LEU 15 HD12 LEU 15 29.044 1.520 -2.927 130 HD13 LEU 15 HD13 LEU 15 29.498 0.457 -4.258 131 HD21 LEU 15 HD21 LEU 15 27.697 -1.945 -2.391 132 HD22 LEU 15 HD22 LEU 15 28.803 -2.087 -3.756 133 HD23 LEU 15 HD23 LEU 15 27.647 -0.758 -3.694 134 H LEU 16 HN LEU 16 31.669 -2.173 0.817 135 HA LEU 16 HA LEU 16 33.779 -4.028 -0.020 136 HB2 LEU 16 HB2 LEU 16 33.812 -2.219 2.390 137 HB3 LEU 16 HB1 LEU 16 35.185 -2.926 1.534 138 HG LEU 16 HG LEU 16 33.286 -0.817 0.473 139 HD11 LEU 16 HD11 LEU 16 36.283 -0.644 0.802 140 HD12 LEU 16 HD12 LEU 16 35.188 -0.216 2.117 141 HD13 LEU 16 HD13 LEU 16 35.127 0.671 0.593 142 HD21 LEU 16 HD21 LEU 16 33.795 -2.135 -1.408 143 HD22 LEU 16 HD22 LEU 16 35.425 -2.487 -0.837 144 HD23 LEU 16 HD23 LEU 16 35.035 -0.881 -1.453 145 H THR 17 HN THR 17 30.966 -4.362 1.454 146 HA THR 17 HA THR 17 31.929 -6.548 3.158 147 HB THR 17 HB THR 17 30.141 -4.287 4.055 148 HG1 THR 17 HG1 THR 17 32.639 -5.342 4.714 149 HG21 THR 17 HG21 THR 17 30.438 -7.093 5.118 150 HG22 THR 17 HG22 THR 17 28.955 -6.191 4.796 151 HG23 THR 17 HG23 THR 17 29.971 -5.758 6.171 152 H PHE 18 HN PHE 18 28.763 -5.001 2.732 153 HA PHE 18 HA PHE 18 27.185 -7.221 2.623 154 HB2 PHE 18 HB2 PHE 18 26.574 -4.700 2.446 155 HB3 PHE 18 HB1 PHE 18 26.677 -4.963 0.707 156 HD1 PHE 18 HD1 PHE 18 25.224 -6.584 3.763 157 HD2 PHE 18 HD2 PHE 18 24.748 -5.676 -0.409 158 HE1 PHE 18 HE1 PHE 18 22.969 -7.616 3.795 159 HE2 PHE 18 HE2 PHE 18 22.495 -6.707 -0.377 160 HZ PHE 18 HZ PHE 18 21.604 -7.679 1.724 161 H LEU 19 HN LEU 19 29.028 -5.810 -0.056 162 HA LEU 19 HA LEU 19 28.070 -7.783 -1.948 163 HB2 LEU 19 HB2 LEU 19 30.002 -5.490 -2.044 164 HB3 LEU 19 HB1 LEU 19 30.003 -6.682 -3.339 165 HG LEU 19 HG LEU 19 28.514 -4.676 -3.754 166 HD11 LEU 19 HD11 LEU 19 28.023 -7.404 -4.254 167 HD12 LEU 19 HD12 LEU 19 27.290 -6.031 -5.079 168 HD13 LEU 19 HD13 LEU 19 26.486 -6.754 -3.687 169 HD21 LEU 19 HD21 LEU 19 27.815 -4.648 -1.274 170 HD22 LEU 19 HD22 LEU 19 26.683 -5.926 -1.706 171 HD23 LEU 19 HD23 LEU 19 26.556 -4.341 -2.467 172 H ALA 20 HN ALA 20 30.531 -7.622 0.399 173 HA ALA 20 HA ALA 20 32.297 -9.506 -0.953 174 HB1 ALA 20 HB1 ALA 20 33.852 -8.830 0.536 175 HB2 ALA 20 HB2 ALA 20 32.761 -9.051 1.903 176 HB3 ALA 20 HB3 ALA 20 32.706 -7.559 0.963 177 H PHE 21 HN PHE 21 30.184 -9.447 1.913 178 HA PHE 21 HA PHE 21 30.538 -12.304 2.332 179 HB2 PHE 21 HB2 PHE 21 28.859 -10.215 3.732 180 HB3 PHE 21 HB1 PHE 21 28.877 -11.919 4.186 181 HD1 PHE 21 HD1 PHE 21 31.036 -8.912 3.763 182 HD2 PHE 21 HD2 PHE 21 30.647 -12.828 5.484 183 HE1 PHE 21 HE1 PHE 21 33.107 -8.540 5.074 184 HE2 PHE 21 HE2 PHE 21 32.719 -12.456 6.796 185 HZ PHE 21 HZ PHE 21 33.948 -10.312 6.588 186 H GLY 22 HN GLY 22 28.009 -10.081 1.240 187 HA2 GLY 22 HA2 GLY 22 25.890 -11.898 1.011 188 HA3 GLY 22 HA1 GLY 22 26.077 -10.438 0.042 189 H PHE 23 HN PHE 23 28.372 -10.978 -1.379 190 HA PHE 23 HA PHE 23 27.437 -12.519 -3.507 191 HB2 PHE 23 HB2 PHE 23 29.136 -11.061 -4.116 192 HB3 PHE 23 HB1 PHE 23 30.118 -11.461 -2.705 193 HD1 PHE 23 HD1 PHE 23 28.744 -12.958 -5.845 194 HD2 PHE 23 HD2 PHE 23 31.847 -13.031 -2.875 195 HE1 PHE 23 HE1 PHE 23 29.972 -14.655 -7.170 196 HE2 PHE 23 HE2 PHE 23 33.073 -14.726 -4.200 197 HZ PHE 23 HZ PHE 23 32.136 -15.541 -6.350 198 H TRP 24 HN TRP 24 28.616 -13.496 -0.507 199 HA TRP 24 HA TRP 24 29.306 -16.180 -1.517 200 HB2 TRP 24 HB2 TRP 24 31.111 -15.232 -0.227 201 HB3 TRP 24 HB1 TRP 24 30.007 -14.807 1.083 202 HD1 TRP 24 HD1 TRP 24 30.774 -18.044 -0.889 203 HE1 TRP 24 HE1 TRP 24 30.920 -19.996 0.794 204 HE3 TRP 24 HE3 TRP 24 29.877 -15.528 3.447 205 HZ2 TRP 24 HZ2 TRP 24 30.684 -20.426 3.607 206 HZ3 TRP 24 HZ3 TRP 24 29.842 -16.726 5.619 207 HH2 TRP 24 HH2 TRP 24 30.243 -19.170 5.704 208 H LEU 25 HN LEU 25 28.176 -15.016 1.618 209 HA LEU 25 HA LEU 25 26.817 -16.955 2.706 210 HB2 LEU 25 HB2 LEU 25 26.150 -14.092 2.442 211 HB3 LEU 25 HB1 LEU 25 24.840 -15.132 3.000 212 HG LEU 25 HG LEU 25 27.603 -15.315 4.179 213 HD11 LEU 25 HD11 LEU 25 25.325 -13.573 5.166 214 HD12 LEU 25 HD12 LEU 25 26.793 -12.972 4.395 215 HD13 LEU 25 HD13 LEU 25 26.887 -13.787 5.955 216 HD21 LEU 25 HD21 LEU 25 26.656 -16.789 5.620 217 HD22 LEU 25 HD22 LEU 25 25.313 -16.855 4.480 218 HD23 LEU 25 HD23 LEU 25 25.241 -15.764 5.863 219 H PHE 26 HN PHE 26 25.104 -14.993 0.246 220 HA PHE 26 HA PHE 26 22.974 -16.883 0.092 221 HB2 PHE 26 HB2 PHE 26 23.604 -14.870 -2.052 222 HB3 PHE 26 HB1 PHE 26 22.031 -15.479 -1.541 223 HD1 PHE 26 HD1 PHE 26 21.789 -15.217 1.218 224 HD2 PHE 26 HD2 PHE 26 23.967 -12.648 -1.448 225 HE1 PHE 26 HE1 PHE 26 21.583 -13.360 2.841 226 HE2 PHE 26 HE2 PHE 26 23.764 -10.789 0.179 227 HZ PHE 26 HZ PHE 26 22.576 -11.146 2.324 228 H LYS 27 HN LYS 27 25.516 -15.985 -2.250 229 HA LYS 27 HA LYS 27 24.871 -18.010 -4.087 230 HB2 LYS 27 HB2 LYS 27 27.649 -16.875 -3.759 231 HB3 LYS 27 HB1 LYS 27 26.889 -17.475 -5.227 232 HG2 LYS 27 HG2 LYS 27 25.757 -15.081 -3.757 233 HG3 LYS 27 HG1 LYS 27 27.057 -14.904 -4.919 234 HD2 LYS 27 HD2 LYS 27 24.561 -16.404 -5.673 235 HD3 LYS 27 HD1 LYS 27 24.603 -14.646 -5.735 236 HE2 LYS 27 HE2 LYS 27 25.937 -14.622 -7.569 237 HE3 LYS 27 HE1 LYS 27 26.947 -15.939 -6.975 238 HZ1 LYS 27 HZ1 LYS 27 24.952 -17.406 -7.483 239 HZ2 LYS 27 HZ2 LYS 27 25.850 -16.827 -8.804 240 HZ3 LYS 27 HZ3 LYS 27 24.366 -16.105 -8.400 241 H TYR 28 HN TYR 28 25.606 -18.664 -1.079 242 HA TYR 28 HA TYR 28 26.971 -21.170 -1.793 243 HB2 TYR 28 HB2 TYR 28 28.830 -20.430 -0.750 244 HB3 TYR 28 HB1 TYR 28 27.982 -19.084 0.006 245 HD1 TYR 28 HD1 TYR 28 28.241 -22.815 0.185 246 HD2 TYR 28 HD2 TYR 28 27.551 -19.144 2.305 247 HE1 TYR 28 HE1 TYR 28 28.159 -24.066 2.328 248 HE2 TYR 28 HE2 TYR 28 27.470 -20.393 4.445 249 HH TYR 28 HH TYR 28 28.660 -23.267 4.941 250 H LEU 29 HN LEU 29 24.979 -19.348 0.483 251 HA LEU 29 HA LEU 29 24.095 -21.868 1.718 252 HB2 LEU 29 HB2 LEU 29 24.848 -19.610 2.946 253 HB3 LEU 29 HB1 LEU 29 23.138 -19.240 2.728 254 HG LEU 29 HG LEU 29 24.241 -21.746 4.034 255 HD11 LEU 29 HD11 LEU 29 24.594 -19.880 5.504 256 HD12 LEU 29 HD12 LEU 29 23.148 -20.712 6.078 257 HD13 LEU 29 HD13 LEU 29 22.995 -19.222 5.149 258 HD21 LEU 29 HD21 LEU 29 21.492 -20.805 3.285 259 HD22 LEU 29 HD22 LEU 29 21.692 -21.748 4.760 260 HD23 LEU 29 HD23 LEU 29 22.176 -22.427 3.208 261 H GLN 30 HN GLN 30 22.845 -19.003 0.059 262 HA GLN 30 HA GLN 30 20.103 -19.825 0.232 263 HB2 GLN 30 HB2 GLN 30 20.499 -17.503 -0.047 264 HB3 GLN 30 HB1 GLN 30 21.544 -17.770 -1.436 265 HG2 GLN 30 HG2 GLN 30 19.788 -18.245 -2.863 266 HG3 GLN 30 HG1 GLN 30 18.703 -18.696 -1.547 267 HE21 GLN 30 HE21 GLN 30 20.420 -15.820 -0.793 268 HE22 GLN 30 HE22 GLN 30 19.201 -14.718 -1.210 269 H LYS 31 HN LYS 31 22.719 -20.874 -1.631 270 HA LYS 31 HA LYS 31 20.883 -22.329 -3.421 271 HB2 LYS 31 HB2 LYS 31 23.386 -20.844 -4.255 272 HB3 LYS 31 HB1 LYS 31 22.531 -21.998 -5.279 273 HG2 LYS 31 HG2 LYS 31 21.230 -20.286 -5.963 274 HG3 LYS 31 HG1 LYS 31 20.536 -20.253 -4.343 275 HD2 LYS 31 HD2 LYS 31 22.321 -18.715 -3.607 276 HD3 LYS 31 HD1 LYS 31 22.997 -18.738 -5.237 277 HE2 LYS 31 HE2 LYS 31 21.440 -17.296 -6.031 278 HE3 LYS 31 HE1 LYS 31 20.129 -18.109 -5.179 279 HZ1 LYS 31 HZ1 LYS 31 20.218 -16.119 -4.082 280 HZ2 LYS 31 HZ2 LYS 31 21.902 -15.962 -4.249 281 HZ3 LYS 31 HZ3 LYS 31 21.256 -17.047 -3.112 282 H LYS 32 HN LYS 32 21.203 -24.151 -2.104 283 HA LYS 32 HA LYS 32 23.645 -25.615 -2.725 284 HB2 LYS 32 HB2 LYS 32 23.878 -26.267 -0.269 285 HB3 LYS 32 HB1 LYS 32 24.392 -24.633 -0.693 286 HG2 LYS 32 HG2 LYS 32 22.836 -23.716 0.653 287 HG3 LYS 32 HG1 LYS 32 21.557 -24.700 -0.055 288 HD2 LYS 32 HD2 LYS 32 22.244 -26.601 1.379 289 HD3 LYS 32 HD1 LYS 32 23.482 -25.582 2.113 290 HE2 LYS 32 HE2 LYS 32 21.964 -24.738 3.539 291 HE3 LYS 32 HE1 LYS 32 20.990 -24.169 2.181 292 HZ1 LYS 32 HZ1 LYS 32 19.894 -25.792 3.745 293 HZ2 LYS 32 HZ2 LYS 32 20.931 -26.980 3.111 294 HZ3 LYS 32 HZ3 LYS 32 19.823 -26.185 2.097 Start of MODEL 49 1 H1 LYS 1 HT1 LYS 1 20.506 17.618 -2.270 2 H2 LYS 1 HT2 LYS 1 22.181 17.843 -2.094 3 H3 LYS 1 HT3 LYS 1 21.096 18.969 -1.431 4 HA LYS 1 HA LYS 1 21.785 17.717 0.391 5 HB2 LYS 1 HB2 LYS 1 19.201 16.556 -0.691 6 HB3 LYS 1 HB1 LYS 1 19.751 16.395 0.977 7 HG2 LYS 1 HG2 LYS 1 19.386 18.627 1.462 8 HG3 LYS 1 HG1 LYS 1 19.635 19.139 -0.207 9 HD2 LYS 1 HD2 LYS 1 17.288 17.387 0.436 10 HD3 LYS 1 HD1 LYS 1 17.200 19.107 0.815 11 HE2 LYS 1 HE2 LYS 1 17.298 19.744 -1.410 12 HE3 LYS 1 HE1 LYS 1 18.186 18.300 -1.892 13 HZ1 LYS 1 HZ1 LYS 1 16.231 16.993 -1.703 14 HZ2 LYS 1 HZ2 LYS 1 15.824 18.362 -2.622 15 HZ3 LYS 1 HZ3 LYS 1 15.362 18.263 -0.991 16 H LYS 2 HN LYS 2 21.452 15.919 -2.551 17 HA LYS 2 HA LYS 2 22.275 13.890 -3.242 18 HB2 LYS 2 HB2 LYS 2 24.391 14.925 -2.416 19 HB3 LYS 2 HB1 LYS 2 24.109 14.170 -0.849 20 HG2 LYS 2 HG2 LYS 2 23.792 12.148 -2.828 21 HG3 LYS 2 HG1 LYS 2 25.286 13.012 -3.194 22 HD2 LYS 2 HD2 LYS 2 24.556 11.886 -0.473 23 HD3 LYS 2 HD1 LYS 2 25.663 11.126 -1.617 24 HE2 LYS 2 HE2 LYS 2 26.490 13.828 -1.348 25 HE3 LYS 2 HE1 LYS 2 26.210 13.214 0.281 26 HZ1 LYS 2 HZ1 LYS 2 28.146 12.344 -1.730 27 HZ2 LYS 2 HZ2 LYS 2 27.489 11.157 -0.707 28 HZ3 LYS 2 HZ3 LYS 2 28.319 12.484 -0.049 29 H HIS 3 HN HIS 3 22.864 13.418 0.223 30 HA HIS 3 HA HIS 3 20.542 11.771 0.612 31 HB2 HIS 3 HB2 HIS 3 22.125 10.303 -0.735 32 HB3 HIS 3 HB1 HIS 3 23.201 10.340 0.663 33 HD2 HIS 3 HD2 HIS 3 22.512 7.483 0.918 34 HE1 HIS 3 HE1 HIS 3 18.692 8.298 2.517 35 HE2 HIS 3 HE2 HIS 3 20.432 6.486 2.141 36 H THR 4 HN THR 4 22.669 10.217 2.419 37 HA THR 4 HA THR 4 22.732 12.247 4.572 38 HB THR 4 HB THR 4 20.977 10.728 5.167 39 HG1 THR 4 HG1 THR 4 22.076 11.013 6.974 40 HG21 THR 4 HG21 THR 4 20.953 8.672 4.265 41 HG22 THR 4 HG22 THR 4 22.250 8.210 5.363 42 HG23 THR 4 HG23 THR 4 22.634 8.835 3.757 43 H ILE 5 HN ILE 5 23.796 9.259 5.588 44 HA ILE 5 HA ILE 5 26.617 10.003 5.108 45 HB ILE 5 HB ILE 5 26.977 8.491 7.168 46 HG12 ILE 5 HG12 ILE 5 24.296 9.263 8.116 47 HG13 ILE 5 HG11 ILE 5 24.279 8.029 6.855 48 HG21 ILE 5 HG21 ILE 5 27.369 10.829 7.377 49 HG22 ILE 5 HG22 ILE 5 26.261 10.431 8.689 50 HG23 ILE 5 HG23 ILE 5 25.653 11.207 7.227 51 HD11 ILE 5 HD11 ILE 5 24.468 7.190 9.271 52 HD12 ILE 5 HD12 ILE 5 26.108 7.837 9.246 53 HD13 ILE 5 HD13 ILE 5 25.646 6.560 8.120 54 H TRP 6 HN TRP 6 24.177 7.590 4.732 55 HA TRP 6 HA TRP 6 25.510 5.215 4.519 56 HB2 TRP 6 HB2 TRP 6 23.094 6.343 3.426 57 HB3 TRP 6 HB1 TRP 6 23.879 5.322 2.221 58 HD1 TRP 6 HD1 TRP 6 22.586 3.124 2.356 59 HE1 TRP 6 HE1 TRP 6 22.021 1.443 4.220 60 HE3 TRP 6 HE3 TRP 6 24.242 5.733 6.411 61 HZ2 TRP 6 HZ2 TRP 6 22.241 1.233 7.059 62 HZ3 TRP 6 HZ3 TRP 6 24.052 4.772 8.689 63 HH2 TRP 6 HH2 TRP 6 23.055 2.526 9.018 64 H GLU 7 HN GLU 7 25.124 7.527 1.826 65 HA GLU 7 HA GLU 7 26.799 6.212 0.011 66 HB2 GLU 7 HB2 GLU 7 25.442 8.736 0.205 67 HB3 GLU 7 HB1 GLU 7 27.063 8.983 -0.447 68 HG2 GLU 7 HG2 GLU 7 25.115 6.901 -1.471 69 HG3 GLU 7 HG1 GLU 7 25.347 8.486 -2.209 70 H VAL 8 HN VAL 8 27.638 7.599 2.935 71 HA VAL 8 HA VAL 8 30.387 8.203 2.060 72 HB VAL 8 HB VAL 8 29.242 8.803 4.782 73 HG11 VAL 8 HG11 VAL 8 31.053 10.338 4.930 74 HG12 VAL 8 HG12 VAL 8 31.370 10.248 3.198 75 HG13 VAL 8 HG13 VAL 8 31.748 8.873 4.236 76 HG21 VAL 8 HG21 VAL 8 29.181 10.544 2.294 77 HG22 VAL 8 HG22 VAL 8 28.722 11.063 3.915 78 HG23 VAL 8 HG23 VAL 8 27.771 9.836 3.080 79 H ILE 9 HN ILE 9 28.498 6.258 4.332 80 HA ILE 9 HA ILE 9 30.938 4.738 4.987 81 HB ILE 9 HB ILE 9 30.229 5.516 7.030 82 HG12 ILE 9 HG12 ILE 9 29.880 2.842 6.702 83 HG13 ILE 9 HG11 ILE 9 29.671 3.671 8.231 84 HG21 ILE 9 HG21 ILE 9 28.359 6.786 6.382 85 HG22 ILE 9 HG22 ILE 9 27.773 5.701 7.635 86 HG23 ILE 9 HG23 ILE 9 27.427 5.359 5.936 87 HD11 ILE 9 HD11 ILE 9 27.361 3.316 6.313 88 HD12 ILE 9 HD12 ILE 9 27.308 3.727 8.022 89 HD13 ILE 9 HD13 ILE 9 27.771 2.104 7.521 90 H ALA 10 HN ALA 10 27.470 4.436 4.278 91 HA ALA 10 HA ALA 10 27.550 1.588 4.007 92 HB1 ALA 10 HB1 ALA 10 25.474 2.876 4.473 93 HB2 ALA 10 HB2 ALA 10 25.319 1.804 3.083 94 HB3 ALA 10 HB3 ALA 10 25.550 3.535 2.838 95 H GLY 11 HN GLY 11 26.949 4.056 1.484 96 HA2 GLY 11 HA2 GLY 11 27.379 2.431 -0.722 97 HA3 GLY 11 HA1 GLY 11 27.687 4.168 -0.703 98 H LEU 12 HN LEU 12 29.542 3.386 1.682 99 HA LEU 12 HA LEU 12 31.894 2.912 -0.008 100 HB2 LEU 12 HB2 LEU 12 31.694 4.971 1.519 101 HB3 LEU 12 HB1 LEU 12 31.935 3.847 2.857 102 HG LEU 12 HG LEU 12 33.933 3.091 1.135 103 HD11 LEU 12 HD11 LEU 12 34.957 4.998 0.168 104 HD12 LEU 12 HD12 LEU 12 33.949 6.110 1.093 105 HD13 LEU 12 HD13 LEU 12 33.248 5.175 -0.228 106 HD21 LEU 12 HD21 LEU 12 34.159 3.459 3.552 107 HD22 LEU 12 HD22 LEU 12 34.019 5.200 3.317 108 HD23 LEU 12 HD23 LEU 12 35.424 4.336 2.692 109 H VAL 13 HN VAL 13 30.012 1.615 2.631 110 HA VAL 13 HA VAL 13 31.988 -0.565 2.967 111 HB VAL 13 HB VAL 13 29.824 0.389 4.857 112 HG11 VAL 13 HG11 VAL 13 31.464 -1.331 6.240 113 HG12 VAL 13 HG12 VAL 13 31.370 -2.109 4.661 114 HG13 VAL 13 HG13 VAL 13 29.895 -1.766 5.563 115 HG21 VAL 13 HG21 VAL 13 32.101 1.658 4.510 116 HG22 VAL 13 HG22 VAL 13 32.785 0.294 5.393 117 HG23 VAL 13 HG23 VAL 13 31.555 1.305 6.149 118 H ALA 14 HN ALA 14 28.465 0.026 2.945 119 HA ALA 14 HA ALA 14 27.494 -2.521 2.867 120 HB1 ALA 14 HB1 ALA 14 26.183 -0.340 2.690 121 HB2 ALA 14 HB2 ALA 14 25.576 -1.688 1.729 122 HB3 ALA 14 HB3 ALA 14 26.503 -0.401 0.958 123 H LEU 15 HN LEU 15 28.788 -0.699 0.088 124 HA LEU 15 HA LEU 15 28.391 -2.797 -1.781 125 HB2 LEU 15 HB2 LEU 15 28.788 -0.417 -2.422 126 HB3 LEU 15 HB1 LEU 15 30.453 -0.574 -1.866 127 HG LEU 15 HG LEU 15 30.812 -2.411 -3.500 128 HD11 LEU 15 HD11 LEU 15 28.879 -2.329 -5.358 129 HD12 LEU 15 HD12 LEU 15 27.896 -1.938 -3.949 130 HD13 LEU 15 HD13 LEU 15 28.810 -3.446 -3.996 131 HD21 LEU 15 HD21 LEU 15 30.428 -0.901 -5.593 132 HD22 LEU 15 HD22 LEU 15 31.512 -0.324 -4.327 133 HD23 LEU 15 HD23 LEU 15 29.863 0.295 -4.427 134 H LEU 16 HN LEU 16 30.905 -2.007 0.500 135 HA LEU 16 HA LEU 16 32.613 -4.187 -0.468 136 HB2 LEU 16 HB2 LEU 16 33.218 -2.346 1.838 137 HB3 LEU 16 HB1 LEU 16 34.347 -3.244 0.823 138 HG LEU 16 HG LEU 16 32.620 -0.908 -0.042 139 HD11 LEU 16 HD11 LEU 16 34.617 0.343 -0.154 140 HD12 LEU 16 HD12 LEU 16 35.628 -1.102 -0.119 141 HD13 LEU 16 HD13 LEU 16 34.794 -0.575 1.342 142 HD21 LEU 16 HD21 LEU 16 34.052 -1.207 -2.173 143 HD22 LEU 16 HD22 LEU 16 32.729 -2.346 -1.923 144 HD23 LEU 16 HD23 LEU 16 34.387 -2.828 -1.564 145 H THR 17 HN THR 17 29.958 -4.267 1.130 146 HA THR 17 HA THR 17 30.886 -6.278 3.073 147 HB THR 17 HB THR 17 29.259 -3.839 3.604 148 HG1 THR 17 HG1 THR 17 31.371 -4.091 4.388 149 HG21 THR 17 HG21 THR 17 28.344 -5.077 5.658 150 HG22 THR 17 HG22 THR 17 28.723 -6.560 4.787 151 HG23 THR 17 HG23 THR 17 27.560 -5.415 4.118 152 H PHE 18 HN PHE 18 27.875 -4.837 1.809 153 HA PHE 18 HA PHE 18 26.185 -6.982 1.994 154 HB2 PHE 18 HB2 PHE 18 25.877 -4.565 0.960 155 HB3 PHE 18 HB1 PHE 18 26.163 -5.418 -0.557 156 HD1 PHE 18 HD1 PHE 18 24.152 -5.680 2.594 157 HD2 PHE 18 HD2 PHE 18 24.372 -6.493 -1.617 158 HE1 PHE 18 HE1 PHE 18 21.818 -6.518 2.634 159 HE2 PHE 18 HE2 PHE 18 22.040 -7.330 -1.577 160 HZ PHE 18 HZ PHE 18 20.761 -7.342 0.547 161 H LEU 19 HN LEU 19 28.448 -6.291 -0.665 162 HA LEU 19 HA LEU 19 27.873 -8.792 -2.001 163 HB2 LEU 19 HB2 LEU 19 29.817 -6.539 -2.465 164 HB3 LEU 19 HB1 LEU 19 29.962 -8.046 -3.362 165 HG LEU 19 HG LEU 19 28.614 -6.298 -4.555 166 HD11 LEU 19 HD11 LEU 19 26.522 -8.280 -4.026 167 HD12 LEU 19 HD12 LEU 19 28.097 -9.015 -4.322 168 HD13 LEU 19 HD13 LEU 19 27.390 -7.936 -5.522 169 HD21 LEU 19 HD21 LEU 19 27.638 -5.422 -2.366 170 HD22 LEU 19 HD22 LEU 19 26.539 -6.802 -2.417 171 HD23 LEU 19 HD23 LEU 19 26.498 -5.595 -3.702 172 H ALA 20 HN ALA 20 30.546 -7.424 -0.112 173 HA ALA 20 HA ALA 20 32.496 -9.291 -0.288 174 HB1 ALA 20 HB1 ALA 20 32.154 -7.221 1.340 175 HB2 ALA 20 HB2 ALA 20 33.316 -8.495 1.709 176 HB3 ALA 20 HB3 ALA 20 31.731 -8.495 2.483 177 H PHE 21 HN PHE 21 29.773 -9.545 2.022 178 HA PHE 21 HA PHE 21 30.427 -12.347 2.475 179 HB2 PHE 21 HB2 PHE 21 28.140 -10.740 3.625 180 HB3 PHE 21 HB1 PHE 21 28.743 -12.291 4.203 181 HD1 PHE 21 HD2 PHE 21 31.446 -12.265 4.575 182 HD2 PHE 21 HD1 PHE 21 28.825 -8.873 4.832 183 HE1 PHE 21 HE2 PHE 21 33.102 -11.093 6.001 184 HE2 PHE 21 HE1 PHE 21 30.480 -7.700 6.257 185 HZ PHE 21 HZ PHE 21 32.618 -8.811 6.843 186 H GLY 22 HN GLY 22 28.018 -10.373 0.870 187 HA2 GLY 22 HA2 GLY 22 25.992 -12.199 0.399 188 HA3 GLY 22 HA1 GLY 22 26.449 -10.921 -0.727 189 H PHE 23 HN PHE 23 29.017 -11.723 -1.407 190 HA PHE 23 HA PHE 23 28.573 -13.537 -3.476 191 HB2 PHE 23 HB2 PHE 23 30.858 -12.160 -2.319 192 HB3 PHE 23 HB1 PHE 23 31.287 -13.774 -2.888 193 HD1 PHE 23 HD1 PHE 23 30.103 -14.423 -5.220 194 HD2 PHE 23 HD2 PHE 23 30.963 -10.431 -3.887 195 HE1 PHE 23 HE1 PHE 23 30.027 -13.622 -7.566 196 HE2 PHE 23 HE2 PHE 23 30.887 -9.630 -6.230 197 HZ PHE 23 HZ PHE 23 30.416 -11.227 -8.072 198 H TRP 24 HN TRP 24 29.082 -14.079 -0.142 199 HA TRP 24 HA TRP 24 29.694 -16.921 -0.583 200 HB2 TRP 24 HB2 TRP 24 31.204 -15.938 0.985 201 HB3 TRP 24 HB1 TRP 24 29.889 -15.154 1.858 202 HD1 TRP 24 HD1 TRP 24 30.655 -18.792 0.793 203 HE1 TRP 24 HE1 TRP 24 30.147 -20.339 2.795 204 HE3 TRP 24 HE3 TRP 24 29.114 -15.331 4.193 205 HZ2 TRP 24 HZ2 TRP 24 29.210 -20.125 5.486 206 HZ3 TRP 24 HZ3 TRP 24 28.417 -16.021 6.473 207 HH2 TRP 24 HH2 TRP 24 28.462 -18.413 7.121 208 H LEU 25 HN LEU 25 27.910 -15.261 1.975 209 HA LEU 25 HA LEU 25 26.149 -16.918 2.922 210 HB2 LEU 25 HB2 LEU 25 25.783 -14.126 2.021 211 HB3 LEU 25 HB1 LEU 25 24.314 -15.023 2.403 212 HG LEU 25 HG LEU 25 26.651 -15.148 4.275 213 HD11 LEU 25 HD11 LEU 25 24.583 -12.934 4.143 214 HD12 LEU 25 HD12 LEU 25 26.321 -12.754 3.908 215 HD13 LEU 25 HD13 LEU 25 25.686 -13.196 5.493 216 HD21 LEU 25 HD21 LEU 25 23.797 -14.960 5.116 217 HD22 LEU 25 HD22 LEU 25 25.099 -15.952 5.774 218 HD23 LEU 25 HD23 LEU 25 24.292 -16.433 4.280 219 H PHE 26 HN PHE 26 25.241 -15.335 -0.155 220 HA PHE 26 HA PHE 26 23.122 -17.187 -0.583 221 HB2 PHE 26 HB2 PHE 26 24.386 -15.509 -2.740 222 HB3 PHE 26 HB1 PHE 26 22.706 -16.023 -2.593 223 HD1 PHE 26 HD1 PHE 26 21.769 -15.389 -0.043 224 HD2 PHE 26 HD2 PHE 26 24.673 -13.226 -2.356 225 HE1 PHE 26 HE1 PHE 26 21.241 -13.330 1.223 226 HE2 PHE 26 HE2 PHE 26 24.145 -11.164 -1.086 227 HZ PHE 26 HZ PHE 26 22.431 -11.217 0.705 228 H LYS 27 HN LYS 27 26.136 -16.707 -2.454 229 HA LYS 27 HA LYS 27 25.871 -18.956 -4.061 230 HB2 LYS 27 HB2 LYS 27 28.552 -18.005 -3.079 231 HB3 LYS 27 HB1 LYS 27 28.139 -18.687 -4.650 232 HG2 LYS 27 HG2 LYS 27 27.301 -15.973 -3.576 233 HG3 LYS 27 HG1 LYS 27 28.419 -16.290 -4.900 234 HD2 LYS 27 HD2 LYS 27 26.284 -17.640 -5.829 235 HD3 LYS 27 HD1 LYS 27 25.443 -16.430 -4.859 236 HE2 LYS 27 HE2 LYS 27 25.646 -15.321 -6.891 237 HE3 LYS 27 HE1 LYS 27 27.118 -14.779 -6.082 238 HZ1 LYS 27 HZ1 LYS 27 28.199 -15.647 -7.800 239 HZ2 LYS 27 HZ2 LYS 27 26.816 -16.453 -8.376 240 HZ3 LYS 27 HZ3 LYS 27 27.790 -17.175 -7.185 241 H TYR 28 HN TYR 28 26.542 -18.854 -0.711 242 HA TYR 28 HA TYR 28 27.619 -21.599 -0.762 243 HB2 TYR 28 HB2 TYR 28 28.947 -20.756 0.842 244 HB3 TYR 28 HB1 TYR 28 27.921 -19.343 1.068 245 HD1 TYR 28 HD2 TYR 28 27.947 -23.030 1.726 246 HD2 TYR 28 HD1 TYR 28 26.664 -19.147 3.023 247 HE1 TYR 28 HE2 TYR 28 27.006 -24.031 3.794 248 HE2 TYR 28 HE1 TYR 28 25.719 -20.141 5.088 249 HH TYR 28 HH TYR 28 26.123 -22.218 6.475 250 H LEU 29 HN LEU 29 24.932 -19.679 0.560 251 HA LEU 29 HA LEU 29 23.705 -22.153 1.562 252 HB2 LEU 29 HB2 LEU 29 23.809 -19.696 2.684 253 HB3 LEU 29 HB1 LEU 29 22.269 -19.575 1.833 254 HG LEU 29 HG LEU 29 23.046 -21.785 3.760 255 HD11 LEU 29 HD11 LEU 29 21.126 -20.730 5.083 256 HD12 LEU 29 HD12 LEU 29 21.276 -19.346 4.002 257 HD13 LEU 29 HD13 LEU 29 22.631 -19.813 5.031 258 HD21 LEU 29 HD21 LEU 29 21.536 -22.772 2.251 259 HD22 LEU 29 HD22 LEU 29 20.648 -21.268 2.011 260 HD23 LEU 29 HD23 LEU 29 20.470 -22.165 3.519 261 H GLN 30 HN GLN 30 23.023 -19.506 -0.703 262 HA GLN 30 HA GLN 30 20.480 -20.177 -1.553 263 HB2 GLN 30 HB2 GLN 30 22.073 -18.251 -2.291 264 HB3 GLN 30 HB1 GLN 30 22.582 -19.374 -3.544 265 HG2 GLN 30 HG2 GLN 30 20.835 -18.240 -4.586 266 HG3 GLN 30 HG1 GLN 30 20.016 -19.664 -3.946 267 HE21 GLN 30 HE21 GLN 30 21.082 -16.720 -2.171 268 HE22 GLN 30 HE22 GLN 30 19.525 -16.297 -1.640 269 H LYS 31 HN LYS 31 23.566 -21.621 -2.439 270 HA LYS 31 HA LYS 31 22.261 -23.439 -4.325 271 HB2 LYS 31 HB2 LYS 31 25.085 -22.678 -3.698 272 HB3 LYS 31 HB1 LYS 31 24.774 -24.242 -4.454 273 HG2 LYS 31 HG2 LYS 31 25.173 -22.498 -6.157 274 HG3 LYS 31 HG1 LYS 31 23.529 -23.128 -6.267 275 HD2 LYS 31 HD2 LYS 31 22.612 -21.210 -5.188 276 HD3 LYS 31 HD1 LYS 31 24.202 -20.662 -4.653 277 HE2 LYS 31 HE2 LYS 31 24.866 -20.274 -6.994 278 HE3 LYS 31 HE1 LYS 31 23.283 -20.828 -7.538 279 HZ1 LYS 31 HZ1 LYS 31 22.461 -18.821 -7.171 280 HZ2 LYS 31 HZ2 LYS 31 24.008 -18.266 -6.743 281 HZ3 LYS 31 HZ3 LYS 31 22.956 -18.863 -5.549 282 H LYS 32 HN LYS 32 24.170 -23.556 -1.331 283 HA LYS 32 HA LYS 32 23.450 -26.396 -1.020 284 HB2 LYS 32 HB2 LYS 32 25.317 -25.051 0.873 285 HB3 LYS 32 HB1 LYS 32 25.355 -26.689 0.230 286 HG2 LYS 32 HG2 LYS 32 26.033 -24.186 -1.353 287 HG3 LYS 32 HG1 LYS 32 27.207 -25.298 -0.663 288 HD2 LYS 32 HD2 LYS 32 26.400 -27.115 -2.056 289 HD3 LYS 32 HD1 LYS 32 25.087 -26.114 -2.672 290 HE2 LYS 32 HE2 LYS 32 26.771 -26.040 -4.353 291 HE3 LYS 32 HE1 LYS 32 26.899 -24.503 -3.500 292 HZ1 LYS 32 HZ1 LYS 32 28.844 -26.511 -3.792 293 HZ2 LYS 32 HZ2 LYS 32 28.479 -26.347 -2.141 294 HZ3 LYS 32 HZ3 LYS 32 28.990 -24.998 -3.039 Start of MODEL 50 1 H1 LYS 1 HT1 LYS 1 24.952 18.196 -0.063 2 H2 LYS 1 HT2 LYS 1 24.964 16.730 -0.922 3 H3 LYS 1 HT3 LYS 1 24.472 16.762 0.704 4 HA LYS 1 HA LYS 1 22.439 17.660 0.246 5 HB2 LYS 1 HB2 LYS 1 22.034 18.860 -1.957 6 HB3 LYS 1 HB1 LYS 1 23.174 19.656 -0.872 7 HG2 LYS 1 HG2 LYS 1 25.061 18.716 -2.102 8 HG3 LYS 1 HG1 LYS 1 23.962 17.813 -3.145 9 HD2 LYS 1 HD2 LYS 1 23.332 20.673 -3.033 10 HD3 LYS 1 HD1 LYS 1 24.944 20.350 -3.668 11 HE2 LYS 1 HE2 LYS 1 22.430 18.972 -4.649 12 HE3 LYS 1 HE1 LYS 1 23.164 20.368 -5.437 13 HZ1 LYS 1 HZ1 LYS 1 23.778 17.857 -6.042 14 HZ2 LYS 1 HZ2 LYS 1 24.950 18.156 -4.849 15 HZ3 LYS 1 HZ3 LYS 1 24.863 19.148 -6.225 16 H LYS 2 HN LYS 2 23.942 15.148 -0.570 17 HA LYS 2 HA LYS 2 22.303 14.231 -2.827 18 HB2 LYS 2 HB2 LYS 2 23.766 12.137 -2.529 19 HB3 LYS 2 HB1 LYS 2 24.562 13.601 -3.108 20 HG2 LYS 2 HG2 LYS 2 25.720 13.917 -1.151 21 HG3 LYS 2 HG1 LYS 2 24.437 13.224 -0.158 22 HD2 LYS 2 HD2 LYS 2 25.096 11.008 -0.638 23 HD3 LYS 2 HD1 LYS 2 26.041 11.501 -2.043 24 HE2 LYS 2 HE2 LYS 2 26.709 12.269 0.812 25 HE3 LYS 2 HE1 LYS 2 27.456 10.927 -0.056 26 HZ1 LYS 2 HZ1 LYS 2 27.759 12.904 -1.815 27 HZ2 LYS 2 HZ2 LYS 2 28.926 12.498 -0.648 28 HZ3 LYS 2 HZ3 LYS 2 27.850 13.782 -0.367 29 H HIS 3 HN HIS 3 23.324 11.769 -0.744 30 HA HIS 3 HA HIS 3 20.552 11.243 0.043 31 HB2 HIS 3 HB2 HIS 3 22.017 9.479 -1.033 32 HB3 HIS 3 HB1 HIS 3 22.961 9.469 0.458 33 HD2 HIS 3 HD2 HIS 3 21.834 6.743 0.756 34 HE1 HIS 3 HE1 HIS 3 18.093 8.206 2.050 35 HE2 HIS 3 HE2 HIS 3 19.554 6.138 1.874 36 H THR 4 HN THR 4 22.130 9.521 2.192 37 HA THR 4 HA THR 4 22.068 11.637 4.258 38 HB THR 4 HB THR 4 20.351 10.053 4.735 39 HG1 THR 4 HG1 THR 4 21.126 9.192 6.670 40 HG21 THR 4 HG21 THR 4 20.487 8.013 3.799 41 HG22 THR 4 HG22 THR 4 21.650 7.576 5.048 42 HG23 THR 4 HG23 THR 4 22.213 8.209 3.500 43 H ILE 5 HN ILE 5 23.195 8.645 5.305 44 HA ILE 5 HA ILE 5 25.993 9.595 5.208 45 HB ILE 5 HB ILE 5 26.203 7.977 7.215 46 HG12 ILE 5 HG12 ILE 5 23.385 8.568 7.853 47 HG13 ILE 5 HG11 ILE 5 23.603 7.383 6.564 48 HG21 ILE 5 HG21 ILE 5 26.445 10.307 7.603 49 HG22 ILE 5 HG22 ILE 5 25.191 9.792 8.733 50 HG23 ILE 5 HG23 ILE 5 24.748 10.623 7.241 51 HD11 ILE 5 HD11 ILE 5 25.107 7.214 9.175 52 HD12 ILE 5 HD12 ILE 5 24.909 5.960 7.951 53 HD13 ILE 5 HD13 ILE 5 23.534 6.452 8.943 54 H TRP 6 HN TRP 6 23.788 7.028 4.473 55 HA TRP 6 HA TRP 6 25.293 4.769 4.268 56 HB2 TRP 6 HB2 TRP 6 22.963 5.831 2.926 57 HB3 TRP 6 HB1 TRP 6 23.952 4.903 1.800 58 HD1 TRP 6 HD1 TRP 6 22.733 2.656 1.685 59 HE1 TRP 6 HE1 TRP 6 22.044 0.861 3.395 60 HE3 TRP 6 HE3 TRP 6 23.804 5.124 6.016 61 HZ2 TRP 6 HZ2 TRP 6 21.959 0.520 6.227 62 HZ3 TRP 6 HZ3 TRP 6 23.411 4.044 8.211 63 HH2 TRP 6 HH2 TRP 6 22.489 1.744 8.324 64 H GLU 7 HN GLU 7 24.961 6.983 1.487 65 HA GLU 7 HA GLU 7 26.975 5.968 -0.089 66 HB2 GLU 7 HB2 GLU 7 25.667 8.603 0.204 67 HB3 GLU 7 HB1 GLU 7 27.212 8.601 -0.647 68 HG2 GLU 7 HG2 GLU 7 26.381 6.854 -2.169 69 HG3 GLU 7 HG1 GLU 7 24.841 6.830 -1.308 70 H VAL 8 HN VAL 8 27.342 7.428 2.957 71 HA VAL 8 HA VAL 8 30.137 8.167 2.430 72 HB VAL 8 HB VAL 8 28.716 8.598 5.046 73 HG11 VAL 8 HG11 VAL 8 31.299 8.963 4.342 74 HG12 VAL 8 HG12 VAL 8 30.471 9.992 5.511 75 HG13 VAL 8 HG13 VAL 8 30.633 10.516 3.834 76 HG21 VAL 8 HG21 VAL 8 28.055 10.824 4.185 77 HG22 VAL 8 HG22 VAL 8 27.278 9.537 3.264 78 HG23 VAL 8 HG23 VAL 8 28.669 10.386 2.590 79 H ILE 9 HN ILE 9 28.168 5.998 4.419 80 HA ILE 9 HA ILE 9 30.639 4.635 5.275 81 HB ILE 9 HB ILE 9 29.681 5.287 7.259 82 HG12 ILE 9 HG12 ILE 9 29.577 2.611 6.822 83 HG13 ILE 9 HG11 ILE 9 29.141 3.363 8.344 84 HG21 ILE 9 HG21 ILE 9 27.789 6.441 6.477 85 HG22 ILE 9 HG22 ILE 9 27.168 5.262 7.626 86 HG23 ILE 9 HG23 ILE 9 27.018 4.971 5.890 87 HD11 ILE 9 HD11 ILE 9 26.817 3.244 7.885 88 HD12 ILE 9 HD12 ILE 9 27.459 1.684 7.379 89 HD13 ILE 9 HD13 ILE 9 27.082 2.910 6.179 90 H ALA 10 HN ALA 10 27.302 4.142 4.181 91 HA ALA 10 HA ALA 10 27.574 1.312 3.856 92 HB1 ALA 10 HB1 ALA 10 25.384 2.438 4.092 93 HB2 ALA 10 HB2 ALA 10 25.469 1.456 2.632 94 HB3 ALA 10 HB3 ALA 10 25.626 3.208 2.524 95 H GLY 11 HN GLY 11 27.126 3.805 1.329 96 HA2 GLY 11 HA2 GLY 11 27.927 2.276 -0.842 97 HA3 GLY 11 HA1 GLY 11 28.110 4.029 -0.750 98 H LEU 12 HN LEU 12 29.712 3.322 1.822 99 HA LEU 12 HA LEU 12 32.281 3.057 0.431 100 HB2 LEU 12 HB2 LEU 12 31.780 5.041 1.960 101 HB3 LEU 12 HB1 LEU 12 31.866 3.894 3.298 102 HG LEU 12 HG LEU 12 34.140 3.227 2.024 103 HD11 LEU 12 HD11 LEU 12 35.239 5.180 1.114 104 HD12 LEU 12 HD12 LEU 12 33.877 6.211 1.557 105 HD13 LEU 12 HD13 LEU 12 33.691 5.001 0.286 106 HD21 LEU 12 HD21 LEU 12 35.285 4.839 3.603 107 HD22 LEU 12 HD22 LEU 12 34.057 3.826 4.364 108 HD23 LEU 12 HD23 LEU 12 33.694 5.507 3.971 109 H VAL 13 HN VAL 13 30.172 1.541 2.749 110 HA VAL 13 HA VAL 13 32.199 -0.572 3.203 111 HB VAL 13 HB VAL 13 29.909 0.240 5.009 112 HG11 VAL 13 HG11 VAL 13 32.043 -1.898 5.180 113 HG12 VAL 13 HG12 VAL 13 30.293 -2.108 5.256 114 HG13 VAL 13 HG13 VAL 13 31.146 -1.333 6.590 115 HG21 VAL 13 HG21 VAL 13 32.092 1.703 4.753 116 HG22 VAL 13 HG22 VAL 13 32.831 0.407 5.692 117 HG23 VAL 13 HG23 VAL 13 31.481 1.321 6.362 118 H ALA 14 HN ALA 14 28.653 -0.097 3.156 119 HA ALA 14 HA ALA 14 27.815 -2.689 2.905 120 HB1 ALA 14 HB1 ALA 14 26.736 -0.363 1.293 121 HB2 ALA 14 HB2 ALA 14 26.301 -0.720 2.965 122 HB3 ALA 14 HB3 ALA 14 25.877 -1.853 1.681 123 H LEU 15 HN LEU 15 29.126 -0.617 0.342 124 HA LEU 15 HA LEU 15 28.771 -2.533 -1.740 125 HB2 LEU 15 HB2 LEU 15 29.083 -0.096 -2.153 126 HB3 LEU 15 HB1 LEU 15 30.743 -0.237 -1.583 127 HG LEU 15 HG LEU 15 31.210 -1.886 -3.380 128 HD11 LEU 15 HD11 LEU 15 29.261 -2.953 -4.002 129 HD12 LEU 15 HD12 LEU 15 29.311 -1.716 -5.256 130 HD13 LEU 15 HD13 LEU 15 28.284 -1.494 -3.841 131 HD21 LEU 15 HD21 LEU 15 31.865 0.223 -4.085 132 HD22 LEU 15 HD22 LEU 15 30.234 0.883 -3.962 133 HD23 LEU 15 HD23 LEU 15 30.666 -0.156 -5.320 134 H LEU 16 HN LEU 16 31.260 -1.865 0.623 135 HA LEU 16 HA LEU 16 33.090 -3.810 -0.560 136 HB2 LEU 16 HB2 LEU 16 33.448 -2.319 2.038 137 HB3 LEU 16 HB1 LEU 16 34.693 -3.040 1.016 138 HG LEU 16 HG LEU 16 32.952 -0.655 0.333 139 HD11 LEU 16 HD11 LEU 16 34.961 0.622 0.457 140 HD12 LEU 16 HD12 LEU 16 35.966 -0.826 0.510 141 HD13 LEU 16 HD13 LEU 16 34.968 -0.395 1.898 142 HD21 LEU 16 HD21 LEU 16 34.588 -0.654 -1.700 143 HD22 LEU 16 HD22 LEU 16 33.218 -1.764 -1.724 144 HD23 LEU 16 HD23 LEU 16 34.826 -2.355 -1.305 145 H THR 17 HN THR 17 30.415 -3.928 1.344 146 HA THR 17 HA THR 17 31.372 -6.301 2.826 147 HB THR 17 HB THR 17 29.546 -4.075 3.595 148 HG1 THR 17 HG1 THR 17 31.283 -3.939 4.766 149 HG21 THR 17 HG21 THR 17 28.716 -5.659 5.451 150 HG22 THR 17 HG22 THR 17 29.220 -6.968 4.388 151 HG23 THR 17 HG23 THR 17 27.979 -5.831 3.860 152 H PHE 18 HN PHE 18 28.296 -4.902 1.670 153 HA PHE 18 HA PHE 18 26.768 -7.162 1.517 154 HB2 PHE 18 HB2 PHE 18 26.229 -4.695 0.878 155 HB3 PHE 18 HB1 PHE 18 26.705 -5.190 -0.747 156 HD1 PHE 18 HD2 PHE 18 24.293 -5.736 2.000 157 HD2 PHE 18 HD1 PHE 18 25.377 -6.762 -2.027 158 HE1 PHE 18 HE2 PHE 18 22.077 -6.796 1.673 159 HE2 PHE 18 HE1 PHE 18 23.161 -7.822 -2.354 160 HZ PHE 18 HZ PHE 18 21.509 -7.840 -0.504 161 H LEU 19 HN LEU 19 29.183 -6.056 -0.824 162 HA LEU 19 HA LEU 19 28.651 -8.171 -2.699 163 HB2 LEU 19 HB2 LEU 19 30.782 -6.068 -2.425 164 HB3 LEU 19 HB1 LEU 19 30.943 -7.352 -3.618 165 HG LEU 19 HG LEU 19 29.840 -5.245 -4.488 166 HD11 LEU 19 HD11 LEU 19 28.774 -6.552 -5.988 167 HD12 LEU 19 HD12 LEU 19 27.625 -7.114 -4.774 168 HD13 LEU 19 HD13 LEU 19 29.175 -7.930 -4.964 169 HD21 LEU 19 HD21 LEU 19 27.477 -6.143 -2.832 170 HD22 LEU 19 HD22 LEU 19 27.658 -4.644 -3.741 171 HD23 LEU 19 HD23 LEU 19 28.598 -4.904 -2.271 172 H ALA 20 HN ALA 20 30.467 -7.907 0.193 173 HA ALA 20 HA ALA 20 32.251 -10.124 -0.489 174 HB1 ALA 20 HB1 ALA 20 32.317 -9.344 2.291 175 HB2 ALA 20 HB2 ALA 20 32.423 -7.922 1.254 176 HB3 ALA 20 HB3 ALA 20 33.590 -9.232 1.075 177 H PHE 21 HN PHE 21 29.690 -9.364 1.857 178 HA PHE 21 HA PHE 21 29.600 -12.049 2.893 179 HB2 PHE 21 HB2 PHE 21 27.864 -9.607 3.245 180 HB3 PHE 21 HB1 PHE 21 27.476 -11.157 3.992 181 HD1 PHE 21 HD2 PHE 21 30.407 -8.849 3.559 182 HD2 PHE 21 HD1 PHE 21 28.307 -11.574 6.132 183 HE1 PHE 21 HE2 PHE 21 32.016 -8.366 5.381 184 HE2 PHE 21 HE1 PHE 21 29.914 -11.088 7.957 185 HZ PHE 21 HZ PHE 21 31.768 -9.483 7.578 186 H GLY 22 HN GLY 22 27.631 -10.092 0.691 187 HA2 GLY 22 HA2 GLY 22 25.574 -11.984 0.272 188 HA3 GLY 22 HA1 GLY 22 25.986 -10.656 -0.808 189 H PHE 23 HN PHE 23 28.539 -11.284 -1.577 190 HA PHE 23 HA PHE 23 28.187 -13.087 -3.650 191 HB2 PHE 23 HB2 PHE 23 29.939 -11.454 -3.751 192 HB3 PHE 23 HB1 PHE 23 30.681 -12.084 -2.277 193 HD1 PHE 23 HD2 PHE 23 29.469 -13.421 -5.567 194 HD2 PHE 23 HD1 PHE 23 32.551 -13.427 -2.574 195 HE1 PHE 23 HE2 PHE 23 30.773 -15.042 -6.911 196 HE2 PHE 23 HE1 PHE 23 33.853 -15.045 -3.919 197 HZ PHE 23 HZ PHE 23 32.968 -15.857 -6.092 198 H TRP 24 HN TRP 24 28.455 -13.733 -0.381 199 HA TRP 24 HA TRP 24 29.416 -16.482 -0.870 200 HB2 TRP 24 HB2 TRP 24 30.934 -15.394 0.627 201 HB3 TRP 24 HB1 TRP 24 29.604 -14.748 1.592 202 HD1 TRP 24 HD1 TRP 24 30.534 -18.288 0.344 203 HE1 TRP 24 HE1 TRP 24 30.283 -19.929 2.321 204 HE3 TRP 24 HE3 TRP 24 29.077 -15.042 3.986 205 HZ2 TRP 24 HZ2 TRP 24 29.557 -19.863 5.083 206 HZ3 TRP 24 HZ3 TRP 24 28.608 -15.851 6.286 207 HH2 TRP 24 HH2 TRP 24 28.847 -18.257 6.836 208 H LEU 25 HN LEU 25 27.632 -14.912 1.744 209 HA LEU 25 HA LEU 25 26.085 -16.705 2.818 210 HB2 LEU 25 HB2 LEU 25 25.472 -13.959 1.927 211 HB3 LEU 25 HB1 LEU 25 24.076 -14.949 2.356 212 HG LEU 25 HG LEU 25 26.518 -14.766 4.127 213 HD11 LEU 25 HD11 LEU 25 25.562 -12.491 3.751 214 HD12 LEU 25 HD12 LEU 25 25.367 -13.040 5.416 215 HD13 LEU 25 HD13 LEU 25 23.998 -13.087 4.305 216 HD21 LEU 25 HD21 LEU 25 25.349 -16.126 5.505 217 HD22 LEU 25 HD22 LEU 25 24.220 -16.376 4.174 218 HD23 LEU 25 HD23 LEU 25 23.907 -15.123 5.372 219 H PHE 26 HN PHE 26 25.187 -15.389 -0.386 220 HA PHE 26 HA PHE 26 23.032 -17.252 -0.693 221 HB2 PHE 26 HB2 PHE 26 24.351 -15.784 -2.960 222 HB3 PHE 26 HB1 PHE 26 22.660 -16.252 -2.787 223 HD1 PHE 26 HD2 PHE 26 21.865 -15.363 -0.169 224 HD2 PHE 26 HD1 PHE 26 24.527 -13.461 -2.956 225 HE1 PHE 26 HE2 PHE 26 21.375 -13.169 0.863 226 HE2 PHE 26 HE1 PHE 26 24.031 -11.264 -1.922 227 HZ PHE 26 HZ PHE 26 22.462 -11.121 -0.010 228 H LYS 27 HN LYS 27 25.807 -16.906 -2.901 229 HA LYS 27 HA LYS 27 25.618 -19.330 -4.140 230 HB2 LYS 27 HB2 LYS 27 28.419 -18.751 -3.637 231 HB3 LYS 27 HB1 LYS 27 27.524 -18.744 -5.152 232 HG2 LYS 27 HG2 LYS 27 27.502 -16.481 -3.130 233 HG3 LYS 27 HG1 LYS 27 28.484 -16.519 -4.587 234 HD2 LYS 27 HD2 LYS 27 25.575 -17.012 -4.968 235 HD3 LYS 27 HD1 LYS 27 26.046 -15.373 -4.524 236 HE2 LYS 27 HE2 LYS 27 27.356 -15.088 -6.444 237 HE3 LYS 27 HE1 LYS 27 27.522 -16.825 -6.705 238 HZ1 LYS 27 HZ1 LYS 27 25.426 -15.034 -7.536 239 HZ2 LYS 27 HZ2 LYS 27 24.855 -16.465 -6.824 240 HZ3 LYS 27 HZ3 LYS 27 25.885 -16.536 -8.174 241 H TYR 28 HN TYR 28 26.239 -18.939 -0.840 242 HA TYR 28 HA TYR 28 27.437 -21.642 -0.667 243 HB2 TYR 28 HB2 TYR 28 28.932 -20.538 0.620 244 HB3 TYR 28 HB1 TYR 28 27.853 -19.170 0.875 245 HD1 TYR 28 HD2 TYR 28 28.122 -22.804 1.767 246 HD2 TYR 28 HD1 TYR 28 26.937 -18.866 3.001 247 HE1 TYR 28 HE2 TYR 28 27.548 -23.682 4.015 248 HE2 TYR 28 HE1 TYR 28 26.366 -19.740 5.248 249 HH TYR 28 HH TYR 28 26.988 -23.128 6.114 250 H LEU 29 HN LEU 29 25.092 -19.491 0.940 251 HA LEU 29 HA LEU 29 23.878 -21.773 2.274 252 HB2 LEU 29 HB2 LEU 29 24.239 -19.317 3.182 253 HB3 LEU 29 HB1 LEU 29 22.703 -19.023 2.367 254 HG LEU 29 HG LEU 29 22.096 -21.321 3.650 255 HD11 LEU 29 HD11 LEU 29 23.051 -21.258 5.909 256 HD12 LEU 29 HD12 LEU 29 24.037 -19.863 5.466 257 HD13 LEU 29 HD13 LEU 29 24.334 -21.430 4.712 258 HD21 LEU 29 HD21 LEU 29 20.734 -19.347 3.813 259 HD22 LEU 29 HD22 LEU 29 21.999 -18.476 4.681 260 HD23 LEU 29 HD23 LEU 29 21.150 -19.811 5.463 261 H GLN 30 HN GLN 30 23.013 -19.371 -0.194 262 HA GLN 30 HA GLN 30 20.367 -20.412 -0.587 263 HB2 GLN 30 HB2 GLN 30 20.894 -18.082 -1.092 264 HB3 GLN 30 HB1 GLN 30 22.049 -18.591 -2.323 265 HG2 GLN 30 HG2 GLN 30 20.420 -19.115 -3.827 266 HG3 GLN 30 HG1 GLN 30 19.332 -19.735 -2.588 267 HE21 GLN 30 HE21 GLN 30 20.690 -16.526 -2.136 268 HE22 GLN 30 HE22 GLN 30 19.267 -15.672 -2.491 269 H LYS 31 HN LYS 31 23.461 -21.405 -1.560 270 HA LYS 31 HA LYS 31 22.314 -23.088 -3.711 271 HB2 LYS 31 HB2 LYS 31 24.918 -21.641 -3.482 272 HB3 LYS 31 HB1 LYS 31 24.888 -23.179 -4.345 273 HG2 LYS 31 HG2 LYS 31 24.495 -21.286 -5.884 274 HG3 LYS 31 HG1 LYS 31 23.085 -22.341 -5.797 275 HD2 LYS 31 HD2 LYS 31 21.812 -20.781 -4.695 276 HD3 LYS 31 HD1 LYS 31 23.198 -20.088 -3.851 277 HE2 LYS 31 HE2 LYS 31 23.941 -19.007 -5.931 278 HE3 LYS 31 HE1 LYS 31 22.578 -19.717 -6.797 279 HZ1 LYS 31 HZ1 LYS 31 21.059 -18.492 -5.447 280 HZ2 LYS 31 HZ2 LYS 31 22.206 -17.399 -6.063 281 HZ3 LYS 31 HZ3 LYS 31 22.306 -17.921 -4.450 282 H LYS 32 HN LYS 32 21.766 -24.384 -1.681 283 HA LYS 32 HA LYS 32 24.075 -26.011 -0.811 284 HB2 LYS 32 HB2 LYS 32 21.904 -24.838 0.614 285 HB3 LYS 32 HB1 LYS 32 21.726 -26.592 0.699 286 HG2 LYS 32 HG2 LYS 32 24.114 -26.762 1.408 287 HG3 LYS 32 HG1 LYS 32 24.202 -25.001 1.428 288 HD2 LYS 32 HD2 LYS 32 22.298 -26.682 3.086 289 HD3 LYS 32 HD1 LYS 32 23.760 -25.900 3.690 290 HE2 LYS 32 HE2 LYS 32 22.195 -24.285 4.237 291 HE3 LYS 32 HE1 LYS 32 22.631 -23.743 2.617 292 HZ1 LYS 32 HZ1 LYS 32 20.127 -24.286 3.431 293 HZ2 LYS 32 HZ2 LYS 32 20.560 -25.747 2.680 294 HZ3 LYS 32 HZ3 LYS 32 20.635 -24.288 1.813
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