NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
521803 | 2le3 | 17690 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 51.589 -8.148 8.276 2 H2 MET 1 HT2 MET 1 52.266 -7.434 6.889 3 H3 MET 1 HT3 MET 1 52.690 -9.022 7.326 4 HA MET 1 HA MET 1 51.046 -8.765 5.437 5 HB2 MET 1 HB2 MET 1 50.471 -10.439 7.895 6 HB3 MET 1 HB1 MET 1 49.654 -10.667 6.350 7 HG2 MET 1 HG2 MET 1 51.837 -11.031 5.251 8 HG3 MET 1 HG1 MET 1 52.647 -10.831 6.804 9 HE1 MET 1 HE1 MET 1 53.006 -14.380 5.616 10 HE2 MET 1 HE2 MET 1 53.655 -13.751 7.128 11 HE3 MET 1 HE3 MET 1 53.625 -12.726 5.695 12 H ALA 2 HN ALA 2 48.815 -9.511 7.924 13 HA ALA 2 HA ALA 2 46.897 -7.633 6.979 14 HB1 ALA 2 HB1 ALA 2 45.674 -8.392 9.129 15 HB2 ALA 2 HB2 ALA 2 47.016 -9.523 9.315 16 HB3 ALA 2 HB3 ALA 2 45.992 -9.599 7.879 17 H GLU 3 HN GLU 3 46.181 -5.724 7.808 18 HA GLU 3 HA GLU 3 47.516 -4.654 10.210 19 HB2 GLU 3 HB2 GLU 3 47.201 -3.261 7.539 20 HB3 GLU 3 HB1 GLU 3 47.621 -2.426 9.034 21 HG2 GLU 3 HG2 GLU 3 49.641 -3.763 9.271 22 HG3 GLU 3 HG1 GLU 3 49.204 -4.729 7.864 23 H ALA 4 HN ALA 4 46.289 -3.112 11.378 24 HA ALA 4 HA ALA 4 43.496 -3.554 11.403 25 HB1 ALA 4 HB1 ALA 4 44.078 -2.808 13.467 26 HB2 ALA 4 HB2 ALA 4 43.769 -1.215 12.775 27 HB3 ALA 4 HB3 ALA 4 45.417 -1.840 12.849 28 H HIS 5 HN HIS 5 45.489 -0.978 10.031 29 HA HIS 5 HA HIS 5 43.416 0.794 9.330 30 HB2 HIS 5 HB2 HIS 5 46.244 0.379 8.538 31 HB3 HIS 5 HB1 HIS 5 45.241 1.284 7.406 32 HD2 HIS 5 HD2 HIS 5 47.058 1.853 10.759 33 HE1 HIS 5 HE1 HIS 5 44.499 5.164 10.195 34 HE2 HIS 5 HE2 HIS 5 46.415 4.246 11.587 35 H GLN 6 HN GLN 6 44.878 -1.914 7.547 36 HA GLN 6 HA GLN 6 43.412 -1.507 5.147 37 HB2 GLN 6 HB2 GLN 6 44.745 -3.980 6.270 38 HB3 GLN 6 HB1 GLN 6 44.089 -3.854 4.638 39 HG2 GLN 6 HG2 GLN 6 45.600 -2.009 4.125 40 HG3 GLN 6 HG1 GLN 6 46.212 -2.018 5.778 41 HE21 GLN 6 HE21 GLN 6 46.930 -3.127 2.695 42 HE22 GLN 6 HE22 GLN 6 47.932 -4.430 3.112 43 H ALA 7 HN ALA 7 42.826 -3.503 8.026 44 HA ALA 7 HA ALA 7 40.564 -4.881 7.043 45 HB1 ALA 7 HB1 ALA 7 41.383 -5.854 8.968 46 HB2 ALA 7 HB2 ALA 7 40.037 -4.929 9.635 47 HB3 ALA 7 HB3 ALA 7 41.682 -4.302 9.752 48 H VAL 8 HN VAL 8 40.890 -1.775 8.720 49 HA VAL 8 HA VAL 8 38.028 -1.263 8.141 50 HB VAL 8 HB VAL 8 39.662 -0.537 10.574 51 HG11 VAL 8 HG11 VAL 8 38.503 1.486 10.076 52 HG12 VAL 8 HG12 VAL 8 37.487 0.656 11.251 53 HG13 VAL 8 HG13 VAL 8 37.064 0.618 9.538 54 HG21 VAL 8 HG21 VAL 8 36.896 -1.718 10.491 55 HG22 VAL 8 HG22 VAL 8 38.139 -1.886 11.732 56 HG23 VAL 8 HG23 VAL 8 38.294 -2.754 10.203 57 H ALA 9 HN ALA 9 37.587 0.475 6.977 58 HA ALA 9 HA ALA 9 39.739 2.456 6.508 59 HB1 ALA 9 HB1 ALA 9 37.624 2.460 4.519 60 HB2 ALA 9 HB2 ALA 9 38.364 0.866 4.665 61 HB3 ALA 9 HB3 ALA 9 39.365 2.271 4.301 62 H PHE 10 HN PHE 10 36.547 1.927 7.665 63 HA PHE 10 HA PHE 10 36.267 4.820 8.031 64 HB2 PHE 10 HB2 PHE 10 34.079 4.970 7.230 65 HB3 PHE 10 HB1 PHE 10 34.929 4.025 6.019 66 HD1 PHE 10 HD1 PHE 10 34.918 1.342 7.692 67 HD2 PHE 10 HD2 PHE 10 31.893 4.229 6.698 68 HE1 PHE 10 HE1 PHE 10 33.176 -0.388 7.959 69 HE2 PHE 10 HE2 PHE 10 30.153 2.487 6.950 70 HZ PHE 10 HZ PHE 10 30.792 0.178 7.583 71 H GLN 11 HN GLN 11 35.606 5.448 9.982 72 HA GLN 11 HA GLN 11 34.366 3.411 11.741 73 HB2 GLN 11 HB2 GLN 11 36.607 5.311 12.446 74 HB3 GLN 11 HB1 GLN 11 35.696 4.370 13.628 75 HG2 GLN 11 HG2 GLN 11 36.358 2.287 12.500 76 HG3 GLN 11 HG1 GLN 11 37.246 3.214 11.292 77 HE21 GLN 11 HE21 GLN 11 39.423 2.817 11.750 78 HE22 GLN 11 HE22 GLN 11 40.128 2.976 13.285 79 H PHE 12 HN PHE 12 32.605 4.033 12.797 80 HA PHE 12 HA PHE 12 31.997 6.921 12.879 81 HB2 PHE 12 HB2 PHE 12 30.565 6.106 11.222 82 HB3 PHE 12 HB1 PHE 12 30.334 4.567 12.031 83 HD1 PHE 12 HD1 PHE 12 30.083 7.848 13.784 84 HD2 PHE 12 HD2 PHE 12 27.944 4.591 11.978 85 HE1 PHE 12 HE1 PHE 12 27.995 8.628 14.847 86 HE2 PHE 12 HE2 PHE 12 25.846 5.395 13.025 87 HZ PHE 12 HZ PHE 12 25.872 7.414 14.462 88 H THR 13 HN THR 13 31.739 7.615 14.926 89 HA THR 13 HA THR 13 30.748 5.681 16.944 90 HB THR 13 HB THR 13 32.651 7.770 17.824 91 HG1 THR 13 HG1 THR 13 34.281 6.957 16.773 92 HG21 THR 13 HG21 THR 13 33.298 6.020 19.375 93 HG22 THR 13 HG22 THR 13 32.366 4.829 18.468 94 HG23 THR 13 HG23 THR 13 31.539 6.120 19.337 95 H VAL 14 HN VAL 14 29.173 6.339 18.211 96 HA VAL 14 HA VAL 14 28.230 9.106 17.934 97 HB VAL 14 HB VAL 14 26.643 7.181 17.557 98 HG11 VAL 14 HG11 VAL 14 26.685 6.845 20.553 99 HG12 VAL 14 HG12 VAL 14 27.724 5.871 19.514 100 HG13 VAL 14 HG13 VAL 14 25.969 5.788 19.336 101 HG21 VAL 14 HG21 VAL 14 26.045 9.064 19.864 102 HG22 VAL 14 HG22 VAL 14 24.831 8.159 18.964 103 HG23 VAL 14 HG23 VAL 14 25.786 9.398 18.152 104 H THR 15 HN THR 15 28.582 10.566 19.527 105 HA THR 15 HA THR 15 29.242 9.503 22.197 106 HB THR 15 HB THR 15 30.523 11.859 22.221 107 HG1 THR 15 HG1 THR 15 31.545 11.957 20.102 108 HG21 THR 15 HG21 THR 15 31.509 9.233 21.077 109 HG22 THR 15 HG22 THR 15 31.570 9.744 22.765 110 HG23 THR 15 HG23 THR 15 32.569 10.557 21.560 111 HA PRO 16 HA PRO 16 25.961 11.925 23.898 112 HB2 PRO 16 HB2 PRO 16 27.944 13.325 25.625 113 HB3 PRO 16 HB1 PRO 16 26.472 12.456 26.088 114 HG2 PRO 16 HG2 PRO 16 28.938 11.453 26.461 115 HG3 PRO 16 HG1 PRO 16 27.521 10.439 26.150 116 HD2 PRO 16 HD2 PRO 16 29.801 11.048 24.367 117 HD3 PRO 16 HD1 PRO 16 28.666 9.679 24.341 118 H ASP 17 HN ASP 17 29.013 13.625 23.177 119 HA ASP 17 HA ASP 17 27.790 16.194 22.913 120 HB2 ASP 17 HB2 ASP 17 30.479 15.099 22.089 121 HB3 ASP 17 HB1 ASP 17 30.014 16.789 21.907 122 H GLY 18 HN GLY 18 28.072 13.452 20.726 123 HA2 GLY 18 HA2 GLY 18 26.416 14.394 18.804 124 HA3 GLY 18 HA1 GLY 18 27.956 15.114 18.348 125 H ILE 19 HN ILE 19 28.509 13.973 16.554 126 HA ILE 19 HA ILE 19 28.906 11.082 16.877 127 HB ILE 19 HB ILE 19 28.269 10.886 14.459 128 HG12 ILE 19 HG12 ILE 19 27.121 13.654 14.889 129 HG13 ILE 19 HG11 ILE 19 28.577 13.320 13.950 130 HG21 ILE 19 HG21 ILE 19 26.307 10.179 15.312 131 HG22 ILE 19 HG22 ILE 19 25.741 11.844 15.371 132 HG23 ILE 19 HG23 ILE 19 26.586 11.155 16.754 133 HD11 ILE 19 HD11 ILE 19 25.896 13.222 13.051 134 HD12 ILE 19 HD12 ILE 19 26.471 11.558 13.094 135 HD13 ILE 19 HD13 ILE 19 27.345 12.768 12.158 136 H ASP 20 HN ASP 20 30.645 10.294 15.756 137 HA ASP 20 HA ASP 20 32.464 12.274 14.523 138 HB2 ASP 20 HB2 ASP 20 33.227 11.697 16.812 139 HB3 ASP 20 HB1 ASP 20 33.292 10.000 16.342 140 H LEU 21 HN LEU 21 33.468 11.618 12.660 141 HA LEU 21 HA LEU 21 33.178 8.799 11.893 142 HB2 LEU 21 HB2 LEU 21 32.433 11.160 10.143 143 HB3 LEU 21 HB1 LEU 21 32.519 9.484 9.606 144 HG LEU 21 HG LEU 21 30.890 9.181 11.747 145 HD11 LEU 21 HD11 LEU 21 29.292 11.038 11.809 146 HD12 LEU 21 HD12 LEU 21 30.243 11.917 10.611 147 HD13 LEU 21 HD13 LEU 21 30.908 11.620 12.216 148 HD21 LEU 21 HD21 LEU 21 30.039 10.063 8.970 149 HD22 LEU 21 HD22 LEU 21 29.019 9.206 10.128 150 HD23 LEU 21 HD23 LEU 21 30.442 8.411 9.446 151 H ARG 22 HN ARG 22 35.022 8.027 11.286 152 HA ARG 22 HA ARG 22 37.104 9.879 10.271 153 HB2 ARG 22 HB2 ARG 22 37.433 7.443 12.028 154 HB3 ARG 22 HB1 ARG 22 38.772 8.320 11.290 155 HG2 ARG 22 HG2 ARG 22 38.090 10.380 12.449 156 HG3 ARG 22 HG1 ARG 22 36.713 9.536 13.158 157 HD2 ARG 22 HD2 ARG 22 38.487 9.611 14.808 158 HD3 ARG 22 HD1 ARG 22 38.323 7.949 14.247 159 HE ARG 22 HE ARG 22 40.261 9.314 12.681 160 HH11 ARG 22 HH21 ARG 22 39.704 7.971 15.828 161 HH12 ARG 22 HH22 ARG 22 41.377 7.632 16.128 162 HH21 ARG 22 HH11 ARG 22 42.454 8.880 13.079 163 HH22 ARG 22 HH12 ARG 22 42.931 8.147 14.574 164 H LEU 23 HN LEU 23 38.187 9.393 8.443 165 HA LEU 23 HA LEU 23 37.736 6.735 7.271 166 HB2 LEU 23 HB2 LEU 23 37.175 9.419 6.032 167 HB3 LEU 23 HB1 LEU 23 37.553 8.010 5.043 168 HG LEU 23 HG LEU 23 35.505 7.576 7.137 169 HD11 LEU 23 HD11 LEU 23 33.757 8.616 5.625 170 HD12 LEU 23 HD12 LEU 23 35.076 9.385 4.739 171 HD13 LEU 23 HD13 LEU 23 34.803 9.781 6.437 172 HD21 LEU 23 HD21 LEU 23 35.642 6.965 4.165 173 HD22 LEU 23 HD22 LEU 23 34.495 6.278 5.315 174 HD23 LEU 23 HD23 LEU 23 36.212 5.889 5.439 175 H SER 24 HN SER 24 39.502 5.926 6.323 176 HA SER 24 HA SER 24 42.018 7.310 6.560 177 HB2 SER 24 HB2 SER 24 43.009 5.271 6.090 178 HB3 SER 24 HB1 SER 24 41.467 4.752 6.766 179 HG SER 24 HG SER 24 41.160 3.814 4.915 180 H HIS 25 HN HIS 25 43.463 7.800 4.883 181 HA HIS 25 HA HIS 25 42.448 9.126 2.632 182 HB2 HIS 25 HB2 HIS 25 45.131 8.193 3.532 183 HB3 HIS 25 HB1 HIS 25 44.957 8.601 1.827 184 HD2 HIS 25 HD2 HIS 25 44.118 11.370 1.375 185 HE1 HIS 25 HE1 HIS 25 45.168 12.632 5.264 186 HE2 HIS 25 HE2 HIS 25 44.499 13.421 2.947 187 H GLU 26 HN GLU 26 43.342 5.830 3.188 188 HA GLU 26 HA GLU 26 43.487 4.937 0.489 189 HB2 GLU 26 HB2 GLU 26 43.008 3.484 3.095 190 HB3 GLU 26 HB1 GLU 26 43.148 2.655 1.543 191 HG2 GLU 26 HG2 GLU 26 45.378 3.614 1.209 192 HG3 GLU 26 HG1 GLU 26 45.240 4.512 2.719 193 H ALA 27 HN ALA 27 40.870 5.177 2.841 194 HA ALA 27 HA ALA 27 38.892 3.757 1.420 195 HB1 ALA 27 HB1 ALA 27 37.464 4.470 3.062 196 HB2 ALA 27 HB2 ALA 27 38.083 6.121 3.025 197 HB3 ALA 27 HB3 ALA 27 38.985 4.862 3.870 198 H LEU 28 HN LEU 28 40.076 7.014 1.272 199 HA LEU 28 HA LEU 28 38.013 8.115 -0.362 200 HB2 LEU 28 HB2 LEU 28 40.859 8.988 0.163 201 HB3 LEU 28 HB1 LEU 28 39.730 9.923 -0.811 202 HG LEU 28 HG LEU 28 39.215 9.058 2.053 203 HD11 LEU 28 HD11 LEU 28 40.753 11.269 0.945 204 HD12 LEU 28 HD12 LEU 28 40.612 10.734 2.618 205 HD13 LEU 28 HD13 LEU 28 39.416 11.841 1.942 206 HD21 LEU 28 HD21 LEU 28 37.605 11.211 1.541 207 HD22 LEU 28 HD22 LEU 28 37.086 9.533 1.377 208 HD23 LEU 28 HD23 LEU 28 37.625 10.432 -0.040 209 H ARG 29 HN ARG 29 41.131 6.640 -1.064 210 HA ARG 29 HA ARG 29 41.204 7.195 -3.813 211 HB2 ARG 29 HB2 ARG 29 43.153 6.423 -2.502 212 HB3 ARG 29 HB1 ARG 29 42.398 4.838 -2.339 213 HG2 ARG 29 HG2 ARG 29 42.409 4.577 -4.792 214 HG3 ARG 29 HG1 ARG 29 43.149 6.168 -4.962 215 HD2 ARG 29 HD2 ARG 29 44.370 3.856 -3.432 216 HD3 ARG 29 HD1 ARG 29 44.811 4.309 -5.076 217 HE ARG 29 HE ARG 29 45.582 5.675 -2.645 218 HH11 ARG 29 HH21 ARG 29 44.996 5.922 -6.046 219 HH12 ARG 29 HH22 ARG 29 46.103 7.235 -6.284 220 HH21 ARG 29 HH11 ARG 29 47.039 7.397 -2.948 221 HH22 ARG 29 HH12 ARG 29 47.258 8.068 -4.529 222 H GLN 30 HN GLN 30 39.767 4.467 -2.054 223 HA GLN 30 HA GLN 30 39.096 2.962 -4.381 224 HB2 GLN 30 HB2 GLN 30 37.997 2.954 -1.562 225 HB3 GLN 30 HB1 GLN 30 37.539 1.778 -2.796 226 HG2 GLN 30 HG2 GLN 30 39.867 1.059 -3.020 227 HG3 GLN 30 HG1 GLN 30 40.380 2.286 -1.863 228 HE21 GLN 30 HE21 GLN 30 41.186 0.051 -0.844 229 HE22 GLN 30 HE22 GLN 30 40.106 -0.664 0.250 230 H ILE 31 HN ILE 31 37.341 5.269 -2.362 231 HA ILE 31 HA ILE 31 34.850 5.006 -3.632 232 HB ILE 31 HB ILE 31 36.060 7.279 -2.060 233 HG12 ILE 31 HG12 ILE 31 33.928 5.265 -1.300 234 HG13 ILE 31 HG11 ILE 31 35.641 5.007 -0.978 235 HG21 ILE 31 HG21 ILE 31 33.442 6.983 -3.455 236 HG22 ILE 31 HG22 ILE 31 34.351 8.446 -3.074 237 HG23 ILE 31 HG23 ILE 31 33.400 7.647 -1.822 238 HD11 ILE 31 HD11 ILE 31 34.105 6.132 0.852 239 HD12 ILE 31 HD12 ILE 31 34.378 7.584 -0.111 240 HD13 ILE 31 HD13 ILE 31 35.744 6.724 0.591 241 H TYR 32 HN TYR 32 37.492 7.374 -4.314 242 HA TYR 32 HA TYR 32 36.004 8.808 -6.251 243 HB2 TYR 32 HB2 TYR 32 38.015 9.783 -5.359 244 HB3 TYR 32 HB1 TYR 32 38.988 8.434 -5.950 245 HD1 TYR 32 HD1 TYR 32 36.766 11.218 -7.068 246 HD2 TYR 32 HD2 TYR 32 39.825 8.405 -8.165 247 HE1 TYR 32 HE1 TYR 32 37.006 12.335 -9.270 248 HE2 TYR 32 HE2 TYR 32 40.067 9.525 -10.365 249 HH TYR 32 HH TYR 32 37.927 11.379 -11.722 250 H LEU 33 HN LEU 33 38.320 6.122 -6.608 251 HA LEU 33 HA LEU 33 38.157 5.950 -9.419 252 HB2 LEU 33 HB2 LEU 33 38.844 3.884 -7.326 253 HB3 LEU 33 HB1 LEU 33 38.990 3.588 -9.055 254 HG LEU 33 HG LEU 33 40.346 5.891 -7.615 255 HD11 LEU 33 HD11 LEU 33 41.680 3.361 -8.603 256 HD12 LEU 33 HD12 LEU 33 41.115 3.535 -6.943 257 HD13 LEU 33 HD13 LEU 33 42.358 4.617 -7.567 258 HD21 LEU 33 HD21 LEU 33 40.378 6.542 -9.835 259 HD22 LEU 33 HD22 LEU 33 40.276 4.888 -10.439 260 HD23 LEU 33 HD23 LEU 33 41.806 5.512 -9.828 261 H SER 34 HN SER 34 36.274 4.261 -6.879 262 HA SER 34 HA SER 34 34.832 2.568 -8.602 263 HB2 SER 34 HB2 SER 34 34.058 3.787 -5.946 264 HB3 SER 34 HB1 SER 34 33.092 2.577 -6.783 265 HG SER 34 HG SER 34 34.769 1.135 -6.604 266 H GLY 35 HN GLY 35 34.349 5.916 -7.664 267 HA2 GLY 35 HA2 GLY 35 31.777 6.221 -8.881 268 HA3 GLY 35 HA1 GLY 35 32.843 7.524 -8.359 269 H LEU 36 HN LEU 36 35.104 6.755 -9.886 270 HA LEU 36 HA LEU 36 34.659 8.148 -12.251 271 HB2 LEU 36 HB2 LEU 36 36.891 7.848 -11.250 272 HB3 LEU 36 HB1 LEU 36 36.836 6.130 -11.637 273 HG LEU 36 HG LEU 36 36.698 6.667 -14.045 274 HD11 LEU 36 HD11 LEU 36 36.494 9.437 -12.939 275 HD12 LEU 36 HD12 LEU 36 35.685 8.724 -14.337 276 HD13 LEU 36 HD13 LEU 36 37.375 9.221 -14.453 277 HD21 LEU 36 HD21 LEU 36 38.926 7.083 -12.319 278 HD22 LEU 36 HD22 LEU 36 38.995 8.321 -13.574 279 HD23 LEU 36 HD23 LEU 36 38.948 6.617 -14.021 280 H HIS 37 HN HIS 37 34.597 4.696 -11.552 281 HA HIS 37 HA HIS 37 34.201 3.904 -14.291 282 HB2 HIS 37 HB2 HIS 37 33.826 2.421 -11.676 283 HB3 HIS 37 HB1 HIS 37 33.649 1.686 -13.268 284 HD2 HIS 37 HD2 HIS 37 36.398 2.069 -10.746 285 HE1 HIS 37 HE1 HIS 37 38.385 1.915 -14.468 286 HE2 HIS 37 HE2 HIS 37 38.695 1.770 -11.953 287 H SER 38 HN SER 38 32.195 4.733 -11.552 288 HA SER 38 HA SER 38 29.734 3.678 -12.460 289 HB2 SER 38 HB2 SER 38 30.243 6.113 -10.734 290 HB3 SER 38 HB1 SER 38 28.696 5.298 -10.917 291 HG SER 38 HG SER 38 31.072 4.403 -9.697 292 H TRP 39 HN TRP 39 31.254 6.897 -12.985 293 HA TRP 39 HA TRP 39 29.070 7.907 -14.510 294 HB2 TRP 39 HB2 TRP 39 31.982 8.720 -14.333 295 HB3 TRP 39 HB1 TRP 39 30.769 9.609 -15.259 296 HD1 TRP 39 HD1 TRP 39 32.168 9.316 -11.850 297 HE1 TRP 39 HE1 TRP 39 30.715 10.613 -10.159 298 HE3 TRP 39 HE3 TRP 39 28.065 10.225 -14.740 299 HZ2 TRP 39 HZ2 TRP 39 28.143 11.875 -10.054 300 HZ3 TRP 39 HZ3 TRP 39 26.130 11.473 -13.826 301 HH2 TRP 39 HH2 TRP 39 26.163 12.300 -11.489 302 H LYS 40 HN LYS 40 31.985 6.099 -15.247 303 HA LYS 40 HA LYS 40 31.880 6.365 -18.083 304 HB2 LYS 40 HB2 LYS 40 33.893 5.684 -16.749 305 HB3 LYS 40 HB1 LYS 40 33.118 4.121 -16.474 306 HG2 LYS 40 HG2 LYS 40 33.005 3.724 -18.890 307 HG3 LYS 40 HG1 LYS 40 33.716 5.306 -19.202 308 HD2 LYS 40 HD2 LYS 40 35.751 4.619 -17.952 309 HD3 LYS 40 HD1 LYS 40 35.040 3.023 -17.712 310 HE2 LYS 40 HE2 LYS 40 34.964 2.660 -20.129 311 HE3 LYS 40 HE1 LYS 40 35.592 4.283 -20.416 312 HZ1 LYS 40 HZ1 LYS 40 37.598 3.367 -20.322 313 HZ2 LYS 40 HZ2 LYS 40 36.994 1.894 -19.730 314 HZ3 LYS 40 HZ3 LYS 40 37.354 3.159 -18.656 315 H LYS 41 HN LYS 41 30.960 5.080 -19.632 316 HA LYS 41 HA LYS 41 28.697 3.483 -18.869 317 HB2 LYS 41 HB2 LYS 41 30.025 3.955 -21.546 318 HB3 LYS 41 HB1 LYS 41 28.547 3.019 -21.333 319 HG2 LYS 41 HG2 LYS 41 27.470 4.997 -20.286 320 HG3 LYS 41 HG1 LYS 41 28.938 5.929 -20.579 321 HD2 LYS 41 HD2 LYS 41 28.711 5.530 -23.006 322 HD3 LYS 41 HD1 LYS 41 27.236 4.610 -22.714 323 HE2 LYS 41 HE2 LYS 41 26.179 6.602 -21.719 324 HE3 LYS 41 HE1 LYS 41 27.656 7.527 -21.993 325 HZ1 LYS 41 HZ1 LYS 41 27.101 6.416 -24.419 326 HZ2 LYS 41 HZ2 LYS 41 26.792 8.023 -23.962 327 HZ3 LYS 41 HZ3 LYS 41 25.571 6.848 -23.830 328 H LYS 42 HN LYS 42 28.451 1.275 -18.911 329 HA LYS 42 HA LYS 42 30.892 -0.283 -18.741 330 HB2 LYS 42 HB2 LYS 42 27.975 -1.073 -18.496 331 HB3 LYS 42 HB1 LYS 42 29.330 -2.175 -18.261 332 HG2 LYS 42 HG2 LYS 42 30.190 -0.712 -16.450 333 HG3 LYS 42 HG1 LYS 42 28.792 0.345 -16.667 334 HD2 LYS 42 HD2 LYS 42 27.279 -1.522 -16.119 335 HD3 LYS 42 HD1 LYS 42 28.667 -2.591 -15.918 336 HE2 LYS 42 HE2 LYS 42 29.505 -1.170 -14.086 337 HE3 LYS 42 HE1 LYS 42 28.121 -0.093 -14.283 338 HZ1 LYS 42 HZ1 LYS 42 27.730 -1.670 -12.510 339 HZ2 LYS 42 HZ2 LYS 42 28.007 -2.974 -13.563 340 HZ3 LYS 42 HZ3 LYS 42 26.658 -1.967 -13.793 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 50.379 -3.163 -4.210 2 H2 MET 1 HT2 MET 1 49.706 -2.166 -3.010 3 H3 MET 1 HT3 MET 1 48.735 -3.302 -3.820 4 HA MET 1 HA MET 1 49.185 -4.808 -2.284 5 HB2 MET 1 HB2 MET 1 52.059 -4.221 -3.058 6 HB3 MET 1 HB1 MET 1 51.564 -5.576 -2.049 7 HG2 MET 1 HG2 MET 1 50.602 -5.077 -4.880 8 HG3 MET 1 HG1 MET 1 51.849 -6.237 -4.431 9 HE1 MET 1 HE1 MET 1 51.672 -7.943 -2.848 10 HE2 MET 1 HE2 MET 1 50.280 -8.996 -2.617 11 HE3 MET 1 HE3 MET 1 50.493 -7.592 -1.576 12 H ALA 2 HN ALA 2 48.380 -2.834 -0.963 13 HA ALA 2 HA ALA 2 50.156 -1.360 0.654 14 HB1 ALA 2 HB1 ALA 2 47.879 -0.628 0.467 15 HB2 ALA 2 HB2 ALA 2 48.136 -1.085 2.150 16 HB3 ALA 2 HB3 ALA 2 47.270 -2.172 1.064 17 H GLU 3 HN GLU 3 48.572 -4.486 1.109 18 HA GLU 3 HA GLU 3 48.897 -6.163 2.651 19 HB2 GLU 3 HB2 GLU 3 51.657 -4.927 2.590 20 HB3 GLU 3 HB1 GLU 3 51.278 -6.461 3.375 21 HG2 GLU 3 HG2 GLU 3 50.501 -7.400 1.262 22 HG3 GLU 3 HG1 GLU 3 50.746 -5.852 0.453 23 H ALA 4 HN ALA 4 47.912 -3.562 3.609 24 HA ALA 4 HA ALA 4 49.120 -3.002 6.146 25 HB1 ALA 4 HB1 ALA 4 47.641 -1.285 6.252 26 HB2 ALA 4 HB2 ALA 4 46.275 -2.298 5.789 27 HB3 ALA 4 HB3 ALA 4 47.360 -1.661 4.552 28 H HIS 5 HN HIS 5 48.477 -3.632 8.187 29 HA HIS 5 HA HIS 5 46.684 -5.980 8.276 30 HB2 HIS 5 HB2 HIS 5 48.986 -5.172 10.063 31 HB3 HIS 5 HB1 HIS 5 47.903 -6.523 10.401 32 HD2 HIS 5 HD2 HIS 5 51.043 -5.788 8.283 33 HE1 HIS 5 HE1 HIS 5 49.560 -9.528 6.994 34 HE2 HIS 5 HE2 HIS 5 51.527 -7.926 6.859 35 H GLN 6 HN GLN 6 44.995 -6.047 9.691 36 HA GLN 6 HA GLN 6 43.225 -5.112 10.848 37 HB2 GLN 6 HB2 GLN 6 44.797 -5.713 12.667 38 HB3 GLN 6 HB1 GLN 6 45.509 -4.102 12.563 39 HG2 GLN 6 HG2 GLN 6 43.374 -3.074 13.150 40 HG3 GLN 6 HG1 GLN 6 42.583 -4.650 13.143 41 HE21 GLN 6 HE21 GLN 6 42.658 -2.932 15.475 42 HE22 GLN 6 HE22 GLN 6 43.568 -3.728 16.666 43 H ALA 7 HN ALA 7 42.536 -3.622 9.244 44 HA ALA 7 HA ALA 7 42.837 -0.845 10.090 45 HB1 ALA 7 HB1 ALA 7 43.049 -0.756 7.270 46 HB2 ALA 7 HB2 ALA 7 44.265 -1.902 7.837 47 HB3 ALA 7 HB3 ALA 7 44.248 -0.252 8.462 48 H VAL 8 HN VAL 8 41.158 0.482 9.443 49 HA VAL 8 HA VAL 8 38.914 -0.844 8.046 50 HB VAL 8 HB VAL 8 38.868 0.929 10.486 51 HG11 VAL 8 HG11 VAL 8 36.307 0.642 10.129 52 HG12 VAL 8 HG12 VAL 8 36.730 0.311 8.450 53 HG13 VAL 8 HG13 VAL 8 37.145 1.865 9.171 54 HG21 VAL 8 HG21 VAL 8 37.242 -1.546 10.160 55 HG22 VAL 8 HG22 VAL 8 38.090 -0.937 11.581 56 HG23 VAL 8 HG23 VAL 8 38.986 -1.766 10.308 57 H ALA 9 HN ALA 9 37.940 0.285 6.462 58 HA ALA 9 HA ALA 9 39.252 2.593 5.397 59 HB1 ALA 9 HB1 ALA 9 37.394 0.673 4.480 60 HB2 ALA 9 HB2 ALA 9 38.163 1.956 3.545 61 HB3 ALA 9 HB3 ALA 9 36.606 2.243 4.321 62 H PHE 10 HN PHE 10 36.271 2.032 7.219 63 HA PHE 10 HA PHE 10 36.226 4.892 7.822 64 HB2 PHE 10 HB2 PHE 10 33.580 4.579 7.510 65 HB3 PHE 10 HB1 PHE 10 34.644 5.184 6.251 66 HD1 PHE 10 HD1 PHE 10 34.590 1.595 7.329 67 HD2 PHE 10 HD2 PHE 10 33.319 4.467 4.393 68 HE1 PHE 10 HE1 PHE 10 33.971 -0.241 5.805 69 HE2 PHE 10 HE2 PHE 10 32.681 2.619 2.877 70 HZ PHE 10 HZ PHE 10 33.009 0.265 3.579 71 H GLN 11 HN GLN 11 35.480 5.480 9.782 72 HA GLN 11 HA GLN 11 34.281 3.379 11.494 73 HB2 GLN 11 HB2 GLN 11 36.535 5.248 12.233 74 HB3 GLN 11 HB1 GLN 11 35.623 4.305 13.405 75 HG2 GLN 11 HG2 GLN 11 36.284 2.229 12.227 76 HG3 GLN 11 HG1 GLN 11 37.224 3.189 11.086 77 HE21 GLN 11 HE21 GLN 11 39.405 3.084 11.623 78 HE22 GLN 11 HE22 GLN 11 40.023 3.099 13.204 79 H PHE 12 HN PHE 12 32.556 3.997 12.675 80 HA PHE 12 HA PHE 12 31.963 6.891 12.805 81 HB2 PHE 12 HB2 PHE 12 30.463 6.077 11.212 82 HB3 PHE 12 HB1 PHE 12 30.270 4.537 12.032 83 HD1 PHE 12 HD1 PHE 12 30.076 7.819 13.788 84 HD2 PHE 12 HD2 PHE 12 27.877 4.554 12.077 85 HE1 PHE 12 HE1 PHE 12 28.031 8.597 14.927 86 HE2 PHE 12 HE2 PHE 12 25.821 5.355 13.202 87 HZ PHE 12 HZ PHE 12 25.897 7.378 14.629 88 H THR 13 HN THR 13 31.821 7.588 14.867 89 HA THR 13 HA THR 13 30.917 5.681 16.953 90 HB THR 13 HB THR 13 32.501 7.277 18.391 91 HG1 THR 13 HG1 THR 13 33.026 7.981 15.939 92 HG21 THR 13 HG21 THR 13 34.321 5.546 17.970 93 HG22 THR 13 HG22 THR 13 33.253 4.857 16.747 94 HG23 THR 13 HG23 THR 13 32.746 4.902 18.436 95 H VAL 14 HN VAL 14 29.353 6.333 18.279 96 HA VAL 14 HA VAL 14 28.369 9.089 17.990 97 HB VAL 14 HB VAL 14 27.129 6.570 19.104 98 HG11 VAL 14 HG11 VAL 14 26.197 8.226 20.477 99 HG12 VAL 14 HG12 VAL 14 25.056 8.156 19.134 100 HG13 VAL 14 HG13 VAL 14 26.254 9.447 19.204 101 HG21 VAL 14 HG21 VAL 14 25.538 6.966 17.218 102 HG22 VAL 14 HG22 VAL 14 27.191 6.685 16.673 103 HG23 VAL 14 HG23 VAL 14 26.539 8.323 16.701 104 H THR 15 HN THR 15 28.698 10.579 19.567 105 HA THR 15 HA THR 15 29.334 9.576 22.277 106 HB THR 15 HB THR 15 30.651 11.799 22.431 107 HG1 THR 15 HG1 THR 15 31.391 12.501 20.401 108 HG21 THR 15 HG21 THR 15 32.483 10.549 20.843 109 HG22 THR 15 HG22 THR 15 31.361 9.226 21.159 110 HG23 THR 15 HG23 THR 15 32.132 10.069 22.503 111 HA PRO 16 HA PRO 16 25.890 11.915 23.779 112 HB2 PRO 16 HB2 PRO 16 27.709 13.352 25.647 113 HB3 PRO 16 HB1 PRO 16 26.241 12.423 25.996 114 HG2 PRO 16 HG2 PRO 16 28.750 11.522 26.496 115 HG3 PRO 16 HG1 PRO 16 27.361 10.471 26.184 116 HD2 PRO 16 HD2 PRO 16 29.695 11.006 24.471 117 HD3 PRO 16 HD1 PRO 16 28.511 9.684 24.391 118 H ASP 17 HN ASP 17 28.952 13.626 23.128 119 HA ASP 17 HA ASP 17 27.728 16.200 22.825 120 HB2 ASP 17 HB2 ASP 17 30.445 15.108 22.098 121 HB3 ASP 17 HB1 ASP 17 29.972 16.785 21.827 122 H GLY 18 HN GLY 18 28.098 13.439 20.669 123 HA2 GLY 18 HA2 GLY 18 26.476 14.382 18.700 124 HA3 GLY 18 HA1 GLY 18 28.038 15.074 18.280 125 H ILE 19 HN ILE 19 28.563 13.932 16.487 126 HA ILE 19 HA ILE 19 28.929 11.035 16.785 127 HB ILE 19 HB ILE 19 28.177 10.819 14.431 128 HG12 ILE 19 HG12 ILE 19 27.287 13.697 14.714 129 HG13 ILE 19 HG11 ILE 19 28.700 13.196 13.789 130 HG21 ILE 19 HG21 ILE 19 25.955 12.254 15.831 131 HG22 ILE 19 HG22 ILE 19 26.628 10.811 16.588 132 HG23 ILE 19 HG23 ILE 19 25.919 10.711 14.978 133 HD11 ILE 19 HD11 ILE 19 27.418 12.647 12.032 134 HD12 ILE 19 HD12 ILE 19 26.023 13.291 12.896 135 HD13 ILE 19 HD13 ILE 19 26.435 11.582 13.037 136 H ASP 20 HN ASP 20 30.657 10.225 15.652 137 HA ASP 20 HA ASP 20 32.519 12.186 14.445 138 HB2 ASP 20 HB2 ASP 20 33.150 9.901 16.322 139 HB3 ASP 20 HB1 ASP 20 34.371 10.756 15.382 140 H LEU 21 HN LEU 21 33.469 11.576 12.521 141 HA LEU 21 HA LEU 21 33.089 8.784 11.672 142 HB2 LEU 21 HB2 LEU 21 32.502 11.230 9.976 143 HB3 LEU 21 HB1 LEU 21 32.418 9.554 9.435 144 HG LEU 21 HG LEU 21 30.829 9.429 11.634 145 HD11 LEU 21 HD11 LEU 21 30.197 12.114 10.389 146 HD12 LEU 21 HD12 LEU 21 31.151 11.956 11.864 147 HD13 LEU 21 HD13 LEU 21 29.480 11.392 11.830 148 HD21 LEU 21 HD21 LEU 21 28.927 9.611 10.021 149 HD22 LEU 21 HD22 LEU 21 30.239 8.603 9.410 150 HD23 LEU 21 HD23 LEU 21 30.047 10.253 8.819 151 H ARG 22 HN ARG 22 35.004 8.002 11.229 152 HA ARG 22 HA ARG 22 37.112 9.819 10.195 153 HB2 ARG 22 HB2 ARG 22 37.352 7.375 11.948 154 HB3 ARG 22 HB1 ARG 22 38.728 8.179 11.200 155 HG2 ARG 22 HG2 ARG 22 38.170 10.263 12.344 156 HG3 ARG 22 HG1 ARG 22 36.730 9.522 13.042 157 HD2 ARG 22 HD2 ARG 22 38.185 7.856 14.187 158 HD3 ARG 22 HD1 ARG 22 39.600 8.691 13.548 159 HE ARG 22 HE ARG 22 38.034 10.597 14.868 160 HH11 ARG 22 HH21 ARG 22 39.829 7.719 15.549 161 HH12 ARG 22 HH22 ARG 22 40.195 8.171 17.179 162 HH21 ARG 22 HH11 ARG 22 38.507 11.191 17.003 163 HH22 ARG 22 HH12 ARG 22 39.446 10.133 18.002 164 H LEU 23 HN LEU 23 38.194 9.320 8.365 165 HA LEU 23 HA LEU 23 37.804 6.634 7.255 166 HB2 LEU 23 HB2 LEU 23 37.357 9.194 5.696 167 HB3 LEU 23 HB1 LEU 23 37.306 7.556 5.045 168 HG LEU 23 HG LEU 23 35.538 7.268 7.063 169 HD11 LEU 23 HD11 LEU 23 35.978 9.823 7.487 170 HD12 LEU 23 HD12 LEU 23 34.328 9.207 7.558 171 HD13 LEU 23 HD13 LEU 23 34.896 10.045 6.115 172 HD21 LEU 23 HD21 LEU 23 33.769 7.578 5.397 173 HD22 LEU 23 HD22 LEU 23 35.157 6.805 4.636 174 HD23 LEU 23 HD23 LEU 23 34.858 8.525 4.386 175 H SER 24 HN SER 24 39.575 5.858 6.314 176 HA SER 24 HA SER 24 42.045 7.316 6.541 177 HB2 SER 24 HB2 SER 24 42.999 5.248 5.452 178 HB3 SER 24 HB1 SER 24 42.131 4.967 6.959 179 HG SER 24 HG SER 24 40.701 4.910 4.561 180 H HIS 25 HN HIS 25 43.503 7.758 4.826 181 HA HIS 25 HA HIS 25 42.387 9.088 2.612 182 HB2 HIS 25 HB2 HIS 25 45.192 8.029 3.053 183 HB3 HIS 25 HB1 HIS 25 44.731 9.124 1.748 184 HD2 HIS 25 HD2 HIS 25 44.057 11.781 2.602 185 HE1 HIS 25 HE1 HIS 25 45.346 11.252 6.589 186 HE2 HIS 25 HE2 HIS 25 44.576 12.961 4.870 187 H GLU 26 HN GLU 26 43.350 5.814 3.147 188 HA GLU 26 HA GLU 26 43.477 4.954 0.432 189 HB2 GLU 26 HB2 GLU 26 44.447 3.658 2.325 190 HB3 GLU 26 HB1 GLU 26 42.814 3.305 2.889 191 HG2 GLU 26 HG2 GLU 26 42.309 2.193 0.741 192 HG3 GLU 26 HG1 GLU 26 43.939 2.551 0.173 193 H ALA 27 HN ALA 27 40.901 5.110 2.850 194 HA ALA 27 HA ALA 27 38.910 3.732 1.405 195 HB1 ALA 27 HB1 ALA 27 38.146 6.028 3.151 196 HB2 ALA 27 HB2 ALA 27 38.981 4.663 3.892 197 HB3 ALA 27 HB3 ALA 27 37.451 4.411 3.051 198 H LEU 28 HN LEU 28 40.058 7.005 1.331 199 HA LEU 28 HA LEU 28 37.961 8.104 -0.267 200 HB2 LEU 28 HB2 LEU 28 40.777 9.041 0.311 201 HB3 LEU 28 HB1 LEU 28 39.646 9.966 -0.676 202 HG LEU 28 HG LEU 28 39.090 9.050 2.168 203 HD11 LEU 28 HD11 LEU 28 40.595 11.319 1.130 204 HD12 LEU 28 HD12 LEU 28 40.426 10.753 2.793 205 HD13 LEU 28 HD13 LEU 28 39.218 11.836 2.102 206 HD21 LEU 28 HD21 LEU 28 36.964 9.484 1.462 207 HD22 LEU 28 HD22 LEU 28 37.506 10.412 0.066 208 HD23 LEU 28 HD23 LEU 28 37.439 11.171 1.655 209 H ARG 29 HN ARG 29 41.095 6.673 -0.989 210 HA ARG 29 HA ARG 29 41.165 7.260 -3.742 211 HB2 ARG 29 HB2 ARG 29 43.116 6.474 -2.430 212 HB3 ARG 29 HB1 ARG 29 42.362 4.888 -2.284 213 HG2 ARG 29 HG2 ARG 29 42.395 4.627 -4.729 214 HG3 ARG 29 HG1 ARG 29 43.107 6.234 -4.901 215 HD2 ARG 29 HD2 ARG 29 44.877 4.559 -5.011 216 HD3 ARG 29 HD1 ARG 29 45.042 5.484 -3.520 217 HE ARG 29 HE ARG 29 43.449 3.160 -3.079 218 HH11 ARG 29 HH21 ARG 29 46.681 4.278 -3.599 219 HH12 ARG 29 HH22 ARG 29 47.423 2.951 -2.770 220 HH21 ARG 29 HH11 ARG 29 44.416 1.416 -1.987 221 HH22 ARG 29 HH12 ARG 29 46.141 1.326 -1.864 222 H GLN 30 HN GLN 30 39.731 4.539 -1.974 223 HA GLN 30 HA GLN 30 39.038 3.037 -4.294 224 HB2 GLN 30 HB2 GLN 30 37.985 2.993 -1.462 225 HB3 GLN 30 HB1 GLN 30 37.493 1.843 -2.706 226 HG2 GLN 30 HG2 GLN 30 39.858 1.175 -3.008 227 HG3 GLN 30 HG1 GLN 30 40.330 2.302 -1.738 228 HE21 GLN 30 HE21 GLN 30 41.067 -0.180 -1.076 229 HE22 GLN 30 HE22 GLN 30 39.984 -0.922 0.001 230 H ILE 31 HN ILE 31 37.283 5.342 -2.248 231 HA ILE 31 HA ILE 31 34.790 5.071 -3.516 232 HB ILE 31 HB ILE 31 36.013 7.345 -1.956 233 HG12 ILE 31 HG12 ILE 31 33.760 5.463 -1.227 234 HG13 ILE 31 HG11 ILE 31 35.449 5.103 -0.863 235 HG21 ILE 31 HG21 ILE 31 33.370 7.107 -3.351 236 HG22 ILE 31 HG22 ILE 31 34.409 8.518 -3.156 237 HG23 ILE 31 HG23 ILE 31 33.442 7.939 -1.798 238 HD11 ILE 31 HD11 ILE 31 35.535 6.633 0.819 239 HD12 ILE 31 HD12 ILE 31 33.775 6.522 0.784 240 HD13 ILE 31 HD13 ILE 31 34.595 7.818 -0.087 241 H TYR 32 HN TYR 32 37.425 7.428 -4.199 242 HA TYR 32 HA TYR 32 35.972 8.846 -6.168 243 HB2 TYR 32 HB2 TYR 32 37.996 9.758 -5.202 244 HB3 TYR 32 HB1 TYR 32 38.947 8.420 -5.850 245 HD1 TYR 32 HD1 TYR 32 36.787 11.293 -6.826 246 HD2 TYR 32 HD2 TYR 32 39.753 8.449 -8.067 247 HE1 TYR 32 HE1 TYR 32 37.053 12.509 -8.969 248 HE2 TYR 32 HE2 TYR 32 40.022 9.663 -10.211 249 HH TYR 32 HH TYR 32 38.193 11.378 -11.590 250 H LEU 33 HN LEU 33 38.319 6.186 -6.488 251 HA LEU 33 HA LEU 33 38.157 5.974 -9.292 252 HB2 LEU 33 HB2 LEU 33 38.907 3.989 -7.146 253 HB3 LEU 33 HB1 LEU 33 39.025 3.617 -8.863 254 HG LEU 33 HG LEU 33 40.327 6.055 -7.612 255 HD11 LEU 33 HD11 LEU 33 41.183 3.908 -6.622 256 HD12 LEU 33 HD12 LEU 33 42.403 4.820 -7.511 257 HD13 LEU 33 HD13 LEU 33 41.650 3.405 -8.247 258 HD21 LEU 33 HD21 LEU 33 40.315 4.769 -10.317 259 HD22 LEU 33 HD22 LEU 33 41.830 5.467 -9.757 260 HD23 LEU 33 HD23 LEU 33 40.390 6.475 -9.883 261 H SER 34 HN SER 34 36.304 4.345 -6.712 262 HA SER 34 HA SER 34 34.855 2.589 -8.370 263 HB2 SER 34 HB2 SER 34 34.924 2.408 -5.903 264 HB3 SER 34 HB1 SER 34 33.988 3.895 -5.777 265 HG SER 34 HG SER 34 33.164 1.555 -7.167 266 H GLY 35 HN GLY 35 34.361 5.942 -7.450 267 HA2 GLY 35 HA2 GLY 35 31.778 6.221 -8.654 268 HA3 GLY 35 HA1 GLY 35 32.834 7.535 -8.137 269 H LEU 36 HN LEU 36 35.097 6.714 -9.663 270 HA LEU 36 HA LEU 36 34.648 8.120 -12.035 271 HB2 LEU 36 HB2 LEU 36 36.869 7.808 -10.930 272 HB3 LEU 36 HB1 LEU 36 36.864 6.136 -11.484 273 HG LEU 36 HG LEU 36 36.703 6.934 -13.835 274 HD11 LEU 36 HD11 LEU 36 35.728 9.036 -13.882 275 HD12 LEU 36 HD12 LEU 36 37.426 9.497 -13.971 276 HD13 LEU 36 HD13 LEU 36 36.572 9.576 -12.430 277 HD21 LEU 36 HD21 LEU 36 38.993 7.492 -14.036 278 HD22 LEU 36 HD22 LEU 36 38.913 6.594 -12.521 279 HD23 LEU 36 HD23 LEU 36 39.006 8.354 -12.498 280 H HIS 37 HN HIS 37 34.638 4.664 -11.339 281 HA HIS 37 HA HIS 37 34.304 3.865 -14.089 282 HB2 HIS 37 HB2 HIS 37 33.886 2.372 -11.488 283 HB3 HIS 37 HB1 HIS 37 33.768 1.638 -13.087 284 HD2 HIS 37 HD2 HIS 37 36.438 2.174 -10.471 285 HE1 HIS 37 HE1 HIS 37 38.531 1.823 -14.121 286 HE2 HIS 37 HE2 HIS 37 38.772 1.831 -11.593 287 H SER 38 HN SER 38 32.269 4.678 -11.382 288 HA SER 38 HA SER 38 29.817 3.606 -12.308 289 HB2 SER 38 HB2 SER 38 30.294 6.044 -10.571 290 HB3 SER 38 HB1 SER 38 28.761 5.202 -10.752 291 HG SER 38 HG SER 38 30.685 3.438 -10.170 292 H TRP 39 HN TRP 39 31.355 6.814 -12.768 293 HA TRP 39 HA TRP 39 29.213 7.895 -14.290 294 HB2 TRP 39 HB2 TRP 39 30.709 9.431 -13.274 295 HB3 TRP 39 HB1 TRP 39 32.120 8.634 -13.964 296 HD1 TRP 39 HD1 TRP 39 28.969 10.524 -15.185 297 HE1 TRP 39 HE1 TRP 39 29.593 11.827 -17.316 298 HE3 TRP 39 HE3 TRP 39 33.802 8.984 -15.774 299 HZ2 TRP 39 HZ2 TRP 39 31.847 12.174 -19.044 300 HZ3 TRP 39 HZ3 TRP 39 35.164 9.818 -17.668 301 HH2 TRP 39 HH2 TRP 39 34.192 11.409 -19.304 302 H LYS 40 HN LYS 40 32.127 6.079 -15.107 303 HA LYS 40 HA LYS 40 31.093 5.802 -17.857 304 HB2 LYS 40 HB2 LYS 40 32.868 7.519 -17.831 305 HB3 LYS 40 HB1 LYS 40 33.975 6.346 -17.123 306 HG2 LYS 40 HG2 LYS 40 33.745 4.906 -19.100 307 HG3 LYS 40 HG1 LYS 40 32.586 6.039 -19.802 308 HD2 LYS 40 HD2 LYS 40 34.310 7.810 -19.783 309 HD3 LYS 40 HD1 LYS 40 35.467 6.668 -19.103 310 HE2 LYS 40 HE2 LYS 40 35.259 5.246 -21.099 311 HE3 LYS 40 HE1 LYS 40 34.076 6.366 -21.778 312 HZ1 LYS 40 HZ1 LYS 40 36.177 6.898 -22.706 313 HZ2 LYS 40 HZ2 LYS 40 36.931 6.905 -21.184 314 HZ3 LYS 40 HZ3 LYS 40 35.813 8.119 -21.586 315 H LYS 41 HN LYS 41 31.130 3.781 -18.618 316 HA LYS 41 HA LYS 41 31.960 1.634 -16.900 317 HB2 LYS 41 HB2 LYS 41 29.991 1.749 -18.640 318 HB3 LYS 41 HB1 LYS 41 31.230 1.240 -19.786 319 HG2 LYS 41 HG2 LYS 41 31.718 -0.738 -18.452 320 HG3 LYS 41 HG1 LYS 41 30.606 -0.205 -17.191 321 HD2 LYS 41 HD2 LYS 41 28.728 -0.335 -18.780 322 HD3 LYS 41 HD1 LYS 41 29.833 -0.882 -20.043 323 HE2 LYS 41 HE2 LYS 41 30.405 -2.864 -18.694 324 HE3 LYS 41 HE1 LYS 41 29.318 -2.314 -17.419 325 HZ1 LYS 41 HZ1 LYS 41 27.930 -2.302 -19.854 326 HZ2 LYS 41 HZ2 LYS 41 27.636 -3.250 -18.475 327 HZ3 LYS 41 HZ3 LYS 41 28.687 -3.811 -19.687 328 H LYS 42 HN LYS 42 33.809 0.537 -16.905 329 HA LYS 42 HA LYS 42 35.489 0.172 -19.164 330 HB2 LYS 42 HB2 LYS 42 35.981 2.572 -18.743 331 HB3 LYS 42 HB1 LYS 42 36.488 2.160 -17.105 332 HG2 LYS 42 HG2 LYS 42 38.261 0.708 -17.991 333 HG3 LYS 42 HG1 LYS 42 37.732 1.049 -19.639 334 HD2 LYS 42 HD2 LYS 42 38.229 3.449 -19.299 335 HD3 LYS 42 HD1 LYS 42 38.778 3.097 -17.660 336 HE2 LYS 42 HE2 LYS 42 40.557 1.667 -18.518 337 HE3 LYS 42 HE1 LYS 42 39.975 1.886 -20.167 338 HZ1 LYS 42 HZ1 LYS 42 40.327 4.341 -19.759 339 HZ2 LYS 42 HZ2 LYS 42 41.730 3.394 -19.916 340 HZ3 LYS 42 HZ3 LYS 42 41.205 3.898 -18.379 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 49.228 6.603 18.472 2 H2 MET 1 HT2 MET 1 47.844 7.011 19.371 3 H3 MET 1 HT3 MET 1 48.026 7.580 17.783 4 HA MET 1 HA MET 1 46.618 5.392 18.482 5 HB2 MET 1 HB2 MET 1 48.027 6.085 15.888 6 HB3 MET 1 HB1 MET 1 46.759 4.869 16.020 7 HG2 MET 1 HG2 MET 1 46.437 7.779 16.807 8 HG3 MET 1 HG1 MET 1 45.894 7.097 15.277 9 HE1 MET 1 HE1 MET 1 42.987 5.030 15.844 10 HE2 MET 1 HE2 MET 1 44.431 4.108 16.247 11 HE3 MET 1 HE3 MET 1 44.488 5.301 14.951 12 H ALA 2 HN ALA 2 46.906 3.207 18.611 13 HA ALA 2 HA ALA 2 49.454 2.201 19.297 14 HB1 ALA 2 HB1 ALA 2 47.197 1.271 19.996 15 HB2 ALA 2 HB2 ALA 2 48.395 0.073 19.503 16 HB3 ALA 2 HB3 ALA 2 47.100 0.535 18.398 17 H GLU 3 HN GLU 3 47.583 2.040 16.285 18 HA GLU 3 HA GLU 3 49.961 0.865 14.962 19 HB2 GLU 3 HB2 GLU 3 47.024 0.606 14.274 20 HB3 GLU 3 HB1 GLU 3 48.339 0.048 13.238 21 HG2 GLU 3 HG2 GLU 3 49.122 -1.483 14.942 22 HG3 GLU 3 HG1 GLU 3 47.964 -0.844 16.109 23 H ALA 4 HN ALA 4 50.852 1.941 13.280 24 HA ALA 4 HA ALA 4 50.229 4.664 12.854 25 HB1 ALA 4 HB1 ALA 4 51.671 4.196 10.693 26 HB2 ALA 4 HB2 ALA 4 51.995 2.660 11.499 27 HB3 ALA 4 HB3 ALA 4 52.425 4.180 12.286 28 H HIS 5 HN HIS 5 49.354 1.711 11.137 29 HA HIS 5 HA HIS 5 47.772 3.280 9.214 30 HB2 HIS 5 HB2 HIS 5 48.502 0.342 9.245 31 HB3 HIS 5 HB1 HIS 5 47.594 1.159 7.970 32 HD2 HIS 5 HD2 HIS 5 51.276 0.710 9.115 33 HE1 HIS 5 HE1 HIS 5 51.297 3.513 5.959 34 HE2 HIS 5 HE2 HIS 5 52.762 2.095 7.472 35 H GLN 6 HN GLN 6 45.608 3.344 9.303 36 HA GLN 6 HA GLN 6 44.226 2.284 11.555 37 HB2 GLN 6 HB2 GLN 6 43.210 3.530 8.991 38 HB3 GLN 6 HB1 GLN 6 42.181 3.095 10.354 39 HG2 GLN 6 HG2 GLN 6 43.481 4.574 11.827 40 HG3 GLN 6 HG1 GLN 6 44.536 4.999 10.482 41 HE21 GLN 6 HE21 GLN 6 43.988 7.113 9.895 42 HE22 GLN 6 HE22 GLN 6 42.400 7.669 9.664 43 H ALA 7 HN ALA 7 43.204 0.425 11.832 44 HA ALA 7 HA ALA 7 43.405 -1.637 9.829 45 HB1 ALA 7 HB1 ALA 7 41.749 -2.537 11.901 46 HB2 ALA 7 HB2 ALA 7 42.912 -1.461 12.674 47 HB3 ALA 7 HB3 ALA 7 43.480 -2.835 11.722 48 H VAL 8 HN VAL 8 41.187 0.813 10.463 49 HA VAL 8 HA VAL 8 39.067 -0.675 9.041 50 HB VAL 8 HB VAL 8 38.831 1.240 11.354 51 HG11 VAL 8 HG11 VAL 8 37.070 2.011 10.036 52 HG12 VAL 8 HG12 VAL 8 36.292 0.679 10.893 53 HG13 VAL 8 HG13 VAL 8 36.855 0.455 9.237 54 HG21 VAL 8 HG21 VAL 8 39.184 -1.365 11.485 55 HG22 VAL 8 HG22 VAL 8 37.489 -1.429 11.009 56 HG23 VAL 8 HG23 VAL 8 37.955 -0.607 12.498 57 H ALA 9 HN ALA 9 38.220 0.213 7.315 58 HA ALA 9 HA ALA 9 39.449 2.504 6.132 59 HB1 ALA 9 HB1 ALA 9 37.098 1.950 4.723 60 HB2 ALA 9 HB2 ALA 9 37.633 0.391 5.344 61 HB3 ALA 9 HB3 ALA 9 38.720 1.362 4.347 62 H PHE 10 HN PHE 10 36.259 1.855 7.570 63 HA PHE 10 HA PHE 10 35.888 4.761 7.827 64 HB2 PHE 10 HB2 PHE 10 34.515 4.201 5.972 65 HB3 PHE 10 HB1 PHE 10 33.941 2.733 6.746 66 HD1 PHE 10 HD1 PHE 10 34.202 5.989 8.570 67 HD2 PHE 10 HD2 PHE 10 31.606 3.245 6.512 68 HE1 PHE 10 HE1 PHE 10 32.240 7.179 9.457 69 HE2 PHE 10 HE2 PHE 10 29.637 4.457 7.403 70 HZ PHE 10 HZ PHE 10 29.955 6.422 8.876 71 H GLN 11 HN GLN 11 35.349 5.362 9.850 72 HA GLN 11 HA GLN 11 34.114 3.349 11.647 73 HB2 GLN 11 HB2 GLN 11 36.540 3.584 12.124 74 HB3 GLN 11 HB1 GLN 11 36.276 5.295 12.437 75 HG2 GLN 11 HG2 GLN 11 34.672 4.719 14.229 76 HG3 GLN 11 HG1 GLN 11 34.971 3.008 13.928 77 HE21 GLN 11 HE21 GLN 11 35.523 4.378 16.433 78 HE22 GLN 11 HE22 GLN 11 37.199 4.301 16.689 79 H PHE 12 HN PHE 12 32.462 4.026 12.859 80 HA PHE 12 HA PHE 12 31.912 6.927 12.956 81 HB2 PHE 12 HB2 PHE 12 30.434 6.160 11.336 82 HB3 PHE 12 HB1 PHE 12 30.198 4.615 12.128 83 HD1 PHE 12 HD1 PHE 12 30.018 7.882 13.913 84 HD2 PHE 12 HD2 PHE 12 27.821 4.657 12.118 85 HE1 PHE 12 HE1 PHE 12 27.940 8.681 14.992 86 HE2 PHE 12 HE2 PHE 12 25.742 5.482 13.180 87 HZ PHE 12 HZ PHE 12 25.804 7.499 14.615 88 H THR 13 HN THR 13 31.753 7.609 15.033 89 HA THR 13 HA THR 13 30.733 5.687 17.051 90 HB THR 13 HB THR 13 32.684 7.712 17.947 91 HG1 THR 13 HG1 THR 13 34.022 7.042 16.443 92 HG21 THR 13 HG21 THR 13 31.435 5.882 19.288 93 HG22 THR 13 HG22 THR 13 33.168 6.069 19.562 94 HG23 THR 13 HG23 THR 13 32.573 4.765 18.538 95 H VAL 14 HN VAL 14 29.205 6.363 18.354 96 HA VAL 14 HA VAL 14 28.323 9.156 18.131 97 HB VAL 14 HB VAL 14 26.951 6.643 19.098 98 HG11 VAL 14 HG11 VAL 14 26.331 9.518 19.572 99 HG12 VAL 14 HG12 VAL 14 25.929 8.104 20.547 100 HG13 VAL 14 HG13 VAL 14 24.982 8.487 19.107 101 HG21 VAL 14 HG21 VAL 14 27.063 6.946 16.682 102 HG22 VAL 14 HG22 VAL 14 26.460 8.597 16.827 103 HG23 VAL 14 HG23 VAL 14 25.409 7.238 17.220 104 H THR 15 HN THR 15 28.658 10.589 19.741 105 HA THR 15 HA THR 15 29.251 9.499 22.421 106 HB THR 15 HB THR 15 31.286 10.437 22.254 107 HG1 THR 15 HG1 THR 15 29.904 12.195 23.187 108 HG21 THR 15 HG21 THR 15 30.252 11.855 19.780 109 HG22 THR 15 HG22 THR 15 31.124 10.320 19.813 110 HG23 THR 15 HG23 THR 15 31.939 11.808 20.291 111 HA PRO 16 HA PRO 16 26.013 11.988 24.124 112 HB2 PRO 16 HB2 PRO 16 28.069 13.348 25.815 113 HB3 PRO 16 HB1 PRO 16 26.559 12.558 26.301 114 HG2 PRO 16 HG2 PRO 16 28.979 11.437 26.665 115 HG3 PRO 16 HG1 PRO 16 27.511 10.492 26.379 116 HD2 PRO 16 HD2 PRO 16 29.810 10.939 24.580 117 HD3 PRO 16 HD1 PRO 16 28.574 9.661 24.557 118 H ASP 17 HN ASP 17 29.084 13.691 23.393 119 HA ASP 17 HA ASP 17 27.846 16.246 23.077 120 HB2 ASP 17 HB2 ASP 17 30.540 15.165 22.260 121 HB3 ASP 17 HB1 ASP 17 30.064 16.855 22.109 122 H GLY 18 HN GLY 18 28.145 13.479 20.904 123 HA2 GLY 18 HA2 GLY 18 26.510 14.435 18.961 124 HA3 GLY 18 HA1 GLY 18 28.058 15.143 18.523 125 H ILE 19 HN ILE 19 28.625 14.011 16.726 126 HA ILE 19 HA ILE 19 28.994 11.115 17.006 127 HB ILE 19 HB ILE 19 28.275 10.903 14.640 128 HG12 ILE 19 HG12 ILE 19 27.199 13.712 14.940 129 HG13 ILE 19 HG11 ILE 19 28.703 13.354 14.097 130 HG21 ILE 19 HG21 ILE 19 26.186 10.436 15.384 131 HG22 ILE 19 HG22 ILE 19 25.865 12.133 15.728 132 HG23 ILE 19 HG23 ILE 19 26.690 11.136 16.924 133 HD11 ILE 19 HD11 ILE 19 26.090 13.259 13.032 134 HD12 ILE 19 HD12 ILE 19 26.621 11.585 13.162 135 HD13 ILE 19 HD13 ILE 19 27.583 12.745 12.247 136 H ASP 20 HN ASP 20 30.682 10.299 15.807 137 HA ASP 20 HA ASP 20 32.577 12.250 14.623 138 HB2 ASP 20 HB2 ASP 20 33.263 11.515 16.928 139 HB3 ASP 20 HB1 ASP 20 33.353 9.870 16.315 140 H LEU 21 HN LEU 21 33.570 11.585 12.744 141 HA LEU 21 HA LEU 21 33.169 8.792 11.928 142 HB2 LEU 21 HB2 LEU 21 32.546 11.229 10.232 143 HB3 LEU 21 HB1 LEU 21 32.564 9.568 9.647 144 HG LEU 21 HG LEU 21 30.871 9.201 11.675 145 HD11 LEU 21 HD11 LEU 21 29.688 11.053 12.383 146 HD12 LEU 21 HD12 LEU 21 29.957 11.929 10.878 147 HD13 LEU 21 HD13 LEU 21 31.237 11.833 12.081 148 HD21 LEU 21 HD21 LEU 21 30.345 8.757 9.323 149 HD22 LEU 21 HD22 LEU 21 30.159 10.484 9.014 150 HD23 LEU 21 HD23 LEU 21 29.013 9.644 10.063 151 H ARG 22 HN ARG 22 35.000 7.946 11.276 152 HA ARG 22 HA ARG 22 37.159 9.737 10.295 153 HB2 ARG 22 HB2 ARG 22 37.678 8.810 12.510 154 HB3 ARG 22 HB1 ARG 22 37.480 7.181 11.871 155 HG2 ARG 22 HG2 ARG 22 39.332 7.533 10.306 156 HG3 ARG 22 HG1 ARG 22 39.499 9.202 10.855 157 HD2 ARG 22 HD2 ARG 22 39.784 6.772 12.638 158 HD3 ARG 22 HD1 ARG 22 41.137 7.655 11.930 159 HE ARG 22 HE ARG 22 39.572 9.536 13.261 160 HH11 ARG 22 HH21 ARG 22 41.318 6.650 13.952 161 HH12 ARG 22 HH22 ARG 22 41.756 7.125 15.560 162 HH21 ARG 22 HH11 ARG 22 40.145 10.187 15.372 163 HH22 ARG 22 HH12 ARG 22 41.102 9.135 16.360 164 H LEU 23 HN LEU 23 38.176 9.257 8.436 165 HA LEU 23 HA LEU 23 37.708 6.608 7.270 166 HB2 LEU 23 HB2 LEU 23 37.262 9.230 5.805 167 HB3 LEU 23 HB1 LEU 23 37.218 7.623 5.076 168 HG LEU 23 HG LEU 23 35.451 7.211 7.051 169 HD11 LEU 23 HD11 LEU 23 34.876 10.080 6.320 170 HD12 LEU 23 HD12 LEU 23 35.847 9.686 7.734 171 HD13 LEU 23 HD13 LEU 23 34.183 9.121 7.627 172 HD21 LEU 23 HD21 LEU 23 35.098 8.381 4.301 173 HD22 LEU 23 HD22 LEU 23 33.684 8.114 5.322 174 HD23 LEU 23 HD23 LEU 23 34.717 6.756 4.870 175 H SER 24 HN SER 24 39.485 5.812 6.294 176 HA SER 24 HA SER 24 41.974 7.247 6.514 177 HB2 SER 24 HB2 SER 24 41.230 4.519 5.484 178 HB3 SER 24 HB1 SER 24 42.857 5.160 5.279 179 HG SER 24 HG SER 24 42.453 3.918 7.251 180 H HIS 25 HN HIS 25 43.395 7.801 4.836 181 HA HIS 25 HA HIS 25 42.325 9.181 2.661 182 HB2 HIS 25 HB2 HIS 25 45.032 8.298 3.488 183 HB3 HIS 25 HB1 HIS 25 44.833 8.702 1.779 184 HD2 HIS 25 HD2 HIS 25 45.337 10.531 5.104 185 HE1 HIS 25 HE1 HIS 25 43.911 13.416 2.376 186 HE2 HIS 25 HE2 HIS 25 44.991 13.078 4.648 187 H GLU 26 HN GLU 26 43.217 5.862 3.026 188 HA GLU 26 HA GLU 26 43.262 5.154 0.258 189 HB2 GLU 26 HB2 GLU 26 44.262 3.734 2.045 190 HB3 GLU 26 HB1 GLU 26 42.635 3.376 2.624 191 HG2 GLU 26 HG2 GLU 26 42.042 2.366 0.491 192 HG3 GLU 26 HG1 GLU 26 43.603 2.820 -0.193 193 H ALA 27 HN ALA 27 40.778 5.257 2.749 194 HA ALA 27 HA ALA 27 38.716 3.931 1.392 195 HB1 ALA 27 HB1 ALA 27 38.999 5.375 3.798 196 HB2 ALA 27 HB2 ALA 27 37.611 4.420 3.278 197 HB3 ALA 27 HB3 ALA 27 37.680 6.145 2.915 198 H LEU 28 HN LEU 28 39.892 7.192 1.255 199 HA LEU 28 HA LEU 28 37.833 8.292 -0.399 200 HB2 LEU 28 HB2 LEU 28 40.601 9.131 0.388 201 HB3 LEU 28 HB1 LEU 28 39.779 9.974 -0.922 202 HG LEU 28 HG LEU 28 37.846 10.393 0.597 203 HD11 LEU 28 HD11 LEU 28 39.668 9.014 2.585 204 HD12 LEU 28 HD12 LEU 28 38.011 8.579 2.157 205 HD13 LEU 28 HD13 LEU 28 38.328 10.050 3.075 206 HD21 LEU 28 HD21 LEU 28 39.443 12.161 0.413 207 HD22 LEU 28 HD22 LEU 28 40.600 11.319 1.448 208 HD23 LEU 28 HD23 LEU 28 39.116 11.983 2.134 209 H ARG 29 HN ARG 29 40.961 6.813 -1.015 210 HA ARG 29 HA ARG 29 41.092 7.340 -3.776 211 HB2 ARG 29 HB2 ARG 29 42.352 5.200 -2.067 212 HB3 ARG 29 HB1 ARG 29 42.699 5.381 -3.789 213 HG2 ARG 29 HG2 ARG 29 43.412 7.708 -3.407 214 HG3 ARG 29 HG1 ARG 29 43.063 7.535 -1.688 215 HD2 ARG 29 HD2 ARG 29 44.734 5.741 -1.516 216 HD3 ARG 29 HD1 ARG 29 45.073 5.878 -3.239 217 HE ARG 29 HE ARG 29 45.901 7.733 -1.145 218 HH11 ARG 29 HH21 ARG 29 45.466 7.098 -4.528 219 HH12 ARG 29 HH22 ARG 29 46.671 8.239 -5.027 220 HH21 ARG 29 HH11 ARG 29 47.477 9.207 -1.796 221 HH22 ARG 29 HH12 ARG 29 47.805 9.433 -3.482 222 H GLN 30 HN GLN 30 39.637 4.593 -2.030 223 HA GLN 30 HA GLN 30 39.124 3.078 -4.402 224 HB2 GLN 30 HB2 GLN 30 37.825 2.977 -1.667 225 HB3 GLN 30 HB1 GLN 30 37.527 1.812 -2.954 226 HG2 GLN 30 HG2 GLN 30 39.885 1.176 -2.974 227 HG3 GLN 30 HG1 GLN 30 40.251 2.405 -1.767 228 HE21 GLN 30 HE21 GLN 30 39.532 -0.888 -2.101 229 HE22 GLN 30 HE22 GLN 30 39.024 -1.190 -0.510 230 H ILE 31 HN ILE 31 37.283 5.347 -2.442 231 HA ILE 31 HA ILE 31 34.837 5.087 -3.781 232 HB ILE 31 HB ILE 31 36.046 7.348 -2.198 233 HG12 ILE 31 HG12 ILE 31 35.251 4.989 -1.275 234 HG13 ILE 31 HG11 ILE 31 34.890 6.469 -0.388 235 HG21 ILE 31 HG21 ILE 31 33.573 8.115 -2.128 236 HG22 ILE 31 HG22 ILE 31 33.372 7.121 -3.571 237 HG23 ILE 31 HG23 ILE 31 34.504 8.474 -3.580 238 HD11 ILE 31 HD11 ILE 31 32.944 4.801 -0.803 239 HD12 ILE 31 HD12 ILE 31 32.970 5.396 -2.459 240 HD13 ILE 31 HD13 ILE 31 32.647 6.508 -1.130 241 H TYR 32 HN TYR 32 37.493 7.441 -4.396 242 HA TYR 32 HA TYR 32 36.125 8.861 -6.409 243 HB2 TYR 32 HB2 TYR 32 38.130 9.767 -5.401 244 HB3 TYR 32 HB1 TYR 32 39.088 8.405 -5.988 245 HD1 TYR 32 HD1 TYR 32 36.904 11.204 -7.168 246 HD2 TYR 32 HD2 TYR 32 40.090 8.483 -8.119 247 HE1 TYR 32 HE1 TYR 32 37.249 12.364 -9.328 248 HE2 TYR 32 HE2 TYR 32 40.434 9.646 -10.282 249 HH TYR 32 HH TYR 32 38.423 12.452 -11.196 250 H LEU 33 HN LEU 33 38.401 6.134 -6.647 251 HA LEU 33 HA LEU 33 38.291 5.926 -9.460 252 HB2 LEU 33 HB2 LEU 33 38.972 3.918 -7.309 253 HB3 LEU 33 HB1 LEU 33 39.126 3.564 -9.029 254 HG LEU 33 HG LEU 33 40.444 5.927 -7.658 255 HD11 LEU 33 HD11 LEU 33 42.507 4.701 -7.682 256 HD12 LEU 33 HD12 LEU 33 41.769 3.360 -8.560 257 HD13 LEU 33 HD13 LEU 33 41.307 3.679 -6.889 258 HD21 LEU 33 HD21 LEU 33 40.198 4.996 -10.443 259 HD22 LEU 33 HD22 LEU 33 41.854 5.343 -9.946 260 HD23 LEU 33 HD23 LEU 33 40.617 6.589 -9.820 261 H SER 34 HN SER 34 36.384 4.307 -6.919 262 HA SER 34 HA SER 34 34.953 2.570 -8.612 263 HB2 SER 34 HB2 SER 34 33.279 2.530 -6.798 264 HB3 SER 34 HB1 SER 34 34.918 2.360 -6.172 265 HG SER 34 HG SER 34 34.804 4.745 -5.945 266 H GLY 35 HN GLY 35 34.507 5.936 -7.762 267 HA2 GLY 35 HA2 GLY 35 31.931 6.223 -8.973 268 HA3 GLY 35 HA1 GLY 35 33.001 7.536 -8.476 269 H LEU 36 HN LEU 36 35.260 6.665 -10.009 270 HA LEU 36 HA LEU 36 34.818 8.035 -12.400 271 HB2 LEU 36 HB2 LEU 36 37.050 7.675 -11.340 272 HB3 LEU 36 HB1 LEU 36 36.967 5.986 -11.829 273 HG LEU 36 HG LEU 36 36.820 6.680 -14.203 274 HD11 LEU 36 HD11 LEU 36 37.628 9.246 -14.395 275 HD12 LEU 36 HD12 LEU 36 36.672 9.362 -12.919 276 HD13 LEU 36 HD13 LEU 36 35.925 8.791 -14.408 277 HD21 LEU 36 HD21 LEU 36 39.079 6.675 -14.278 278 HD22 LEU 36 HD22 LEU 36 39.051 6.769 -12.518 279 HD23 LEU 36 HD23 LEU 36 39.167 8.244 -13.482 280 H HIS 37 HN HIS 37 34.744 4.581 -11.652 281 HA HIS 37 HA HIS 37 34.365 3.744 -14.381 282 HB2 HIS 37 HB2 HIS 37 34.328 2.429 -11.700 283 HB3 HIS 37 HB1 HIS 37 33.509 1.619 -13.037 284 HD2 HIS 37 HD2 HIS 37 35.207 0.446 -14.922 285 HE1 HIS 37 HE1 HIS 37 38.843 1.814 -13.263 286 HE2 HIS 37 HE2 HIS 37 37.815 0.306 -15.027 287 H SER 38 HN SER 38 32.346 4.564 -11.657 288 HA SER 38 HA SER 38 29.886 3.501 -12.539 289 HB2 SER 38 HB2 SER 38 30.487 5.897 -10.794 290 HB3 SER 38 HB1 SER 38 28.879 5.213 -11.011 291 HG SER 38 HG SER 38 30.848 4.412 -9.386 292 H TRP 39 HN TRP 39 31.364 6.749 -13.084 293 HA TRP 39 HA TRP 39 29.145 7.725 -14.585 294 HB2 TRP 39 HB2 TRP 39 32.049 8.547 -14.475 295 HB3 TRP 39 HB1 TRP 39 30.836 9.406 -15.421 296 HD1 TRP 39 HD1 TRP 39 32.295 9.272 -12.051 297 HE1 TRP 39 HE1 TRP 39 30.863 10.629 -10.391 298 HE3 TRP 39 HE3 TRP 39 28.116 9.971 -14.881 299 HZ2 TRP 39 HZ2 TRP 39 28.282 11.857 -10.285 300 HZ3 TRP 39 HZ3 TRP 39 26.185 11.240 -13.984 301 HH2 TRP 39 HH2 TRP 39 26.264 12.183 -11.692 302 H LYS 40 HN LYS 40 32.092 5.983 -15.382 303 HA LYS 40 HA LYS 40 31.779 6.220 -18.232 304 HB2 LYS 40 HB2 LYS 40 33.985 5.904 -17.154 305 HB3 LYS 40 HB1 LYS 40 33.474 4.309 -16.603 306 HG2 LYS 40 HG2 LYS 40 33.161 3.595 -18.949 307 HG3 LYS 40 HG1 LYS 40 33.677 5.191 -19.502 308 HD2 LYS 40 HD2 LYS 40 35.864 4.861 -18.404 309 HD3 LYS 40 HD1 LYS 40 35.349 3.261 -17.867 310 HE2 LYS 40 HE2 LYS 40 36.688 3.030 -19.892 311 HE3 LYS 40 HE1 LYS 40 35.015 2.603 -20.249 312 HZ1 LYS 40 HZ1 LYS 40 36.262 4.180 -21.826 313 HZ2 LYS 40 HZ2 LYS 40 35.966 5.366 -20.643 314 HZ3 LYS 40 HZ3 LYS 40 34.667 4.563 -21.391 315 H LYS 41 HN LYS 41 30.691 4.933 -19.598 316 HA LYS 41 HA LYS 41 29.028 2.812 -18.502 317 HB2 LYS 41 HB2 LYS 41 29.304 3.945 -21.300 318 HB3 LYS 41 HB1 LYS 41 28.176 2.661 -20.860 319 HG2 LYS 41 HG2 LYS 41 27.098 4.151 -19.221 320 HG3 LYS 41 HG1 LYS 41 28.230 5.437 -19.633 321 HD2 LYS 41 HD2 LYS 41 27.397 5.394 -21.979 322 HD3 LYS 41 HD1 LYS 41 26.231 4.150 -21.522 323 HE2 LYS 41 HE2 LYS 41 25.189 5.687 -19.911 324 HE3 LYS 41 HE1 LYS 41 26.376 6.927 -20.308 325 HZ1 LYS 41 HZ1 LYS 41 24.111 6.999 -21.469 326 HZ2 LYS 41 HZ2 LYS 41 24.697 5.710 -22.409 327 HZ3 LYS 41 HZ3 LYS 41 25.500 7.207 -22.419 328 H LYS 42 HN LYS 42 29.344 0.651 -18.787 329 HA LYS 42 HA LYS 42 30.609 -1.258 -19.083 330 HB2 LYS 42 HB2 LYS 42 29.530 -0.908 -21.311 331 HB3 LYS 42 HB1 LYS 42 30.974 -0.046 -21.837 332 HG2 LYS 42 HG2 LYS 42 32.339 -2.046 -21.428 333 HG3 LYS 42 HG1 LYS 42 30.921 -2.904 -20.831 334 HD2 LYS 42 HD2 LYS 42 29.840 -2.640 -23.041 335 HD3 LYS 42 HD1 LYS 42 31.284 -1.812 -23.635 336 HE2 LYS 42 HE2 LYS 42 32.640 -3.800 -23.175 337 HE3 LYS 42 HE1 LYS 42 31.230 -4.632 -22.527 338 HZ1 LYS 42 HZ1 LYS 42 30.455 -3.726 -24.996 339 HZ2 LYS 42 HZ2 LYS 42 30.859 -5.325 -24.582 340 HZ3 LYS 42 HZ3 LYS 42 32.036 -4.289 -25.233 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 54.007 -1.571 6.848 2 H2 MET 1 HT2 MET 1 53.482 -2.216 5.365 3 H3 MET 1 HT3 MET 1 53.847 -3.250 6.663 4 HA MET 1 HA MET 1 52.006 -2.310 7.934 5 HB2 MET 1 HB2 MET 1 51.581 -0.793 5.347 6 HB3 MET 1 HB1 MET 1 50.376 -0.906 6.629 7 HG2 MET 1 HG2 MET 1 53.184 0.148 7.033 8 HG3 MET 1 HG1 MET 1 51.787 1.180 6.751 9 HE1 MET 1 HE1 MET 1 49.340 -0.201 9.055 10 HE2 MET 1 HE2 MET 1 49.740 0.990 7.821 11 HE3 MET 1 HE3 MET 1 49.778 1.446 9.521 12 H ALA 2 HN ALA 2 51.167 -4.285 8.057 13 HA ALA 2 HA ALA 2 50.604 -5.914 5.774 14 HB1 ALA 2 HB1 ALA 2 49.316 -6.486 8.398 15 HB2 ALA 2 HB2 ALA 2 51.078 -6.502 8.337 16 HB3 ALA 2 HB3 ALA 2 50.151 -7.575 7.289 17 H GLU 3 HN GLU 3 48.597 -6.550 4.952 18 HA GLU 3 HA GLU 3 46.644 -4.528 4.695 19 HB2 GLU 3 HB2 GLU 3 46.518 -7.499 4.119 20 HB3 GLU 3 HB1 GLU 3 45.279 -6.344 3.637 21 HG2 GLU 3 HG2 GLU 3 46.614 -6.472 1.718 22 HG3 GLU 3 HG1 GLU 3 47.264 -5.050 2.524 23 H ALA 4 HN ALA 4 46.837 -7.373 6.803 24 HA ALA 4 HA ALA 4 44.212 -7.364 7.776 25 HB1 ALA 4 HB1 ALA 4 46.725 -8.601 8.479 26 HB2 ALA 4 HB2 ALA 4 45.082 -9.179 8.759 27 HB3 ALA 4 HB3 ALA 4 45.853 -8.107 9.929 28 H HIS 5 HN HIS 5 46.976 -5.351 8.616 29 HA HIS 5 HA HIS 5 45.930 -4.267 11.028 30 HB2 HIS 5 HB2 HIS 5 48.324 -4.080 10.301 31 HB3 HIS 5 HB1 HIS 5 47.821 -2.913 9.080 32 HD2 HIS 5 HD2 HIS 5 48.959 -2.881 12.701 33 HE1 HIS 5 HE1 HIS 5 46.807 0.716 12.186 34 HE2 HIS 5 HE2 HIS 5 48.410 -0.537 13.705 35 H GLN 6 HN GLN 6 45.659 -3.317 7.628 36 HA GLN 6 HA GLN 6 44.030 -0.992 8.310 37 HB2 GLN 6 HB2 GLN 6 44.955 -2.126 5.664 38 HB3 GLN 6 HB1 GLN 6 43.962 -0.675 5.825 39 HG2 GLN 6 HG2 GLN 6 45.708 0.383 7.198 40 HG3 GLN 6 HG1 GLN 6 46.700 -1.068 7.075 41 HE21 GLN 6 HE21 GLN 6 48.109 0.920 6.091 42 HE22 GLN 6 HE22 GLN 6 48.025 1.043 4.400 43 H ALA 7 HN ALA 7 43.063 -3.749 8.884 44 HA ALA 7 HA ALA 7 41.119 -4.622 7.075 45 HB1 ALA 7 HB1 ALA 7 41.179 -4.724 10.096 46 HB2 ALA 7 HB2 ALA 7 41.735 -5.973 8.982 47 HB3 ALA 7 HB3 ALA 7 40.013 -5.599 9.104 48 H VAL 8 HN VAL 8 41.152 -1.897 9.226 49 HA VAL 8 HA VAL 8 38.300 -1.334 8.637 50 HB VAL 8 HB VAL 8 40.092 -0.540 10.939 51 HG11 VAL 8 HG11 VAL 8 38.868 1.447 10.496 52 HG12 VAL 8 HG12 VAL 8 37.952 0.624 11.759 53 HG13 VAL 8 HG13 VAL 8 37.407 0.550 10.083 54 HG21 VAL 8 HG21 VAL 8 38.747 -1.917 12.237 55 HG22 VAL 8 HG22 VAL 8 38.721 -2.788 10.704 56 HG23 VAL 8 HG23 VAL 8 37.364 -1.756 11.156 57 H ALA 9 HN ALA 9 37.837 0.423 7.418 58 HA ALA 9 HA ALA 9 39.974 2.436 7.022 59 HB1 ALA 9 HB1 ALA 9 39.091 0.731 5.078 60 HB2 ALA 9 HB2 ALA 9 39.813 2.312 4.780 61 HB3 ALA 9 HB3 ALA 9 38.058 2.136 4.818 62 H PHE 10 HN PHE 10 36.678 1.803 7.786 63 HA PHE 10 HA PHE 10 36.175 4.706 7.897 64 HB2 PHE 10 HB2 PHE 10 34.937 4.012 6.017 65 HB3 PHE 10 HB1 PHE 10 34.447 2.509 6.780 66 HD1 PHE 10 HD1 PHE 10 34.301 5.829 8.501 67 HD2 PHE 10 HD2 PHE 10 32.112 2.766 6.431 68 HE1 PHE 10 HE1 PHE 10 32.174 6.833 9.261 69 HE2 PHE 10 HE2 PHE 10 29.986 3.784 7.179 70 HZ PHE 10 HZ PHE 10 30.014 5.819 8.595 71 H GLN 11 HN GLN 11 35.515 5.376 9.879 72 HA GLN 11 HA GLN 11 34.241 3.385 11.666 73 HB2 GLN 11 HB2 GLN 11 36.559 5.197 12.327 74 HB3 GLN 11 HB1 GLN 11 35.531 4.498 13.573 75 HG2 GLN 11 HG2 GLN 11 37.023 2.898 11.469 76 HG3 GLN 11 HG1 GLN 11 37.574 3.131 13.125 77 HE21 GLN 11 HE21 GLN 11 35.936 0.940 11.204 78 HE22 GLN 11 HE22 GLN 11 35.021 0.163 12.403 79 H PHE 12 HN PHE 12 32.516 4.009 12.759 80 HA PHE 12 HA PHE 12 31.859 6.885 12.766 81 HB2 PHE 12 HB2 PHE 12 30.454 5.955 11.137 82 HB3 PHE 12 HB1 PHE 12 30.244 4.463 12.035 83 HD1 PHE 12 HD1 PHE 12 29.937 7.851 13.595 84 HD2 PHE 12 HD2 PHE 12 27.877 4.436 11.988 85 HE1 PHE 12 HE1 PHE 12 27.817 8.647 14.594 86 HE2 PHE 12 HE2 PHE 12 25.761 5.242 12.984 87 HZ PHE 12 HZ PHE 12 25.727 7.348 14.290 88 H THR 13 HN THR 13 31.603 7.616 14.818 89 HA THR 13 HA THR 13 30.645 5.708 16.877 90 HB THR 13 HB THR 13 32.559 7.829 17.661 91 HG1 THR 13 HG1 THR 13 34.121 7.009 16.554 92 HG21 THR 13 HG21 THR 13 32.633 4.966 18.515 93 HG22 THR 13 HG22 THR 13 31.312 5.986 19.090 94 HG23 THR 13 HG23 THR 13 32.983 6.422 19.443 95 H VAL 14 HN VAL 14 29.152 6.370 18.247 96 HA VAL 14 HA VAL 14 28.190 9.138 18.013 97 HB VAL 14 HB VAL 14 26.921 6.624 19.119 98 HG11 VAL 14 HG11 VAL 14 25.926 8.136 20.520 99 HG12 VAL 14 HG12 VAL 14 24.922 8.443 19.102 100 HG13 VAL 14 HG13 VAL 14 26.283 9.506 19.467 101 HG21 VAL 14 HG21 VAL 14 25.547 8.239 17.070 102 HG22 VAL 14 HG22 VAL 14 25.813 6.497 17.132 103 HG23 VAL 14 HG23 VAL 14 27.081 7.561 16.525 104 H THR 15 HN THR 15 28.618 10.592 19.620 105 HA THR 15 HA THR 15 29.324 9.508 22.282 106 HB THR 15 HB THR 15 31.250 10.681 22.283 107 HG1 THR 15 HG1 THR 15 30.865 12.704 22.598 108 HG21 THR 15 HG21 THR 15 30.552 11.435 19.432 109 HG22 THR 15 HG22 THR 15 31.195 9.861 19.906 110 HG23 THR 15 HG23 THR 15 32.167 11.315 20.135 111 HA PRO 16 HA PRO 16 26.135 11.987 24.083 112 HB2 PRO 16 HB2 PRO 16 28.154 13.428 25.718 113 HB3 PRO 16 HB1 PRO 16 26.729 12.517 26.243 114 HG2 PRO 16 HG2 PRO 16 29.274 11.611 26.489 115 HG3 PRO 16 HG1 PRO 16 27.856 10.561 26.344 116 HD2 PRO 16 HD2 PRO 16 29.997 11.069 24.383 117 HD3 PRO 16 HD1 PRO 16 28.823 9.738 24.464 118 H ASP 17 HN ASP 17 29.174 13.734 23.287 119 HA ASP 17 HA ASP 17 27.883 16.271 22.986 120 HB2 ASP 17 HB2 ASP 17 30.601 15.242 22.157 121 HB3 ASP 17 HB1 ASP 17 30.074 16.904 21.904 122 H GLY 18 HN GLY 18 28.176 13.498 20.838 123 HA2 GLY 18 HA2 GLY 18 26.492 14.396 18.921 124 HA3 GLY 18 HA1 GLY 18 28.020 15.121 18.435 125 H ILE 19 HN ILE 19 28.564 13.968 16.661 126 HA ILE 19 HA ILE 19 28.979 11.084 17.007 127 HB ILE 19 HB ILE 19 28.316 10.925 14.562 128 HG12 ILE 19 HG12 ILE 19 28.347 13.635 14.630 129 HG13 ILE 19 HG11 ILE 19 27.418 12.714 13.452 130 HG21 ILE 19 HG21 ILE 19 26.316 11.602 16.730 131 HG22 ILE 19 HG22 ILE 19 26.838 10.007 16.204 132 HG23 ILE 19 HG23 ILE 19 25.828 10.989 15.147 133 HD11 ILE 19 HD11 ILE 19 25.398 12.952 14.734 134 HD12 ILE 19 HD12 ILE 19 26.136 14.549 14.659 135 HD13 ILE 19 HD13 ILE 19 26.284 13.581 16.124 136 H ASP 20 HN ASP 20 30.653 10.270 15.781 137 HA ASP 20 HA ASP 20 32.483 12.232 14.533 138 HB2 ASP 20 HB2 ASP 20 33.165 10.021 16.478 139 HB3 ASP 20 HB1 ASP 20 34.370 10.839 15.483 140 H LEU 21 HN LEU 21 33.447 11.593 12.614 141 HA LEU 21 HA LEU 21 33.097 8.785 11.811 142 HB2 LEU 21 HB2 LEU 21 32.330 11.212 10.161 143 HB3 LEU 21 HB1 LEU 21 32.413 9.566 9.534 144 HG LEU 21 HG LEU 21 30.828 9.147 11.701 145 HD11 LEU 21 HD11 LEU 21 29.319 10.934 12.081 146 HD12 LEU 21 HD12 LEU 21 29.893 11.831 10.676 147 HD13 LEU 21 HD13 LEU 21 30.912 11.685 12.109 148 HD21 LEU 21 HD21 LEU 21 30.219 8.382 9.510 149 HD22 LEU 21 HD22 LEU 21 30.053 10.031 8.908 150 HD23 LEU 21 HD23 LEU 21 28.890 9.396 10.071 151 H ARG 22 HN ARG 22 34.965 7.988 11.253 152 HA ARG 22 HA ARG 22 37.064 9.802 10.185 153 HB2 ARG 22 HB2 ARG 22 37.619 8.904 12.404 154 HB3 ARG 22 HB1 ARG 22 37.440 7.265 11.784 155 HG2 ARG 22 HG2 ARG 22 39.270 7.667 10.175 156 HG3 ARG 22 HG1 ARG 22 39.438 9.317 10.778 157 HD2 ARG 22 HD2 ARG 22 39.744 6.834 12.485 158 HD3 ARG 22 HD1 ARG 22 41.092 7.719 11.772 159 HE ARG 22 HE ARG 22 39.479 9.525 13.228 160 HH11 ARG 22 HH21 ARG 22 41.643 6.854 13.645 161 HH12 ARG 22 HH22 ARG 22 42.143 7.334 15.232 162 HH21 ARG 22 HH11 ARG 22 40.125 10.157 15.297 163 HH22 ARG 22 HH12 ARG 22 41.273 9.204 16.175 164 H LEU 23 HN LEU 23 38.130 9.302 8.354 165 HA LEU 23 HA LEU 23 37.662 6.656 7.177 166 HB2 LEU 23 HB2 LEU 23 37.194 9.306 5.785 167 HB3 LEU 23 HB1 LEU 23 37.270 7.747 4.968 168 HG LEU 23 HG LEU 23 35.437 7.184 6.902 169 HD11 LEU 23 HD11 LEU 23 33.973 9.034 7.253 170 HD12 LEU 23 HD12 LEU 23 34.823 10.019 6.063 171 HD13 LEU 23 HD13 LEU 23 35.595 9.637 7.602 172 HD21 LEU 23 HD21 LEU 23 34.971 8.468 4.197 173 HD22 LEU 23 HD22 LEU 23 33.718 7.657 5.137 174 HD23 LEU 23 HD23 LEU 23 35.101 6.743 4.535 175 H SER 24 HN SER 24 39.428 5.845 6.271 176 HA SER 24 HA SER 24 41.933 7.235 6.480 177 HB2 SER 24 HB2 SER 24 41.142 4.520 5.442 178 HB3 SER 24 HB1 SER 24 42.798 5.114 5.340 179 HG SER 24 HG SER 24 42.627 4.055 7.268 180 H HIS 25 HN HIS 25 43.381 7.748 4.814 181 HA HIS 25 HA HIS 25 42.342 9.069 2.570 182 HB2 HIS 25 HB2 HIS 25 45.123 7.966 3.071 183 HB3 HIS 25 HB1 HIS 25 44.708 9.033 1.728 184 HD2 HIS 25 HD2 HIS 25 45.292 9.264 5.594 185 HE1 HIS 25 HE1 HIS 25 44.310 13.126 4.201 186 HE2 HIS 25 HE2 HIS 25 45.086 11.794 6.220 187 H GLU 26 HN GLU 26 43.272 5.804 3.124 188 HA GLU 26 HA GLU 26 43.407 4.940 0.415 189 HB2 GLU 26 HB2 GLU 26 42.906 3.434 2.993 190 HB3 GLU 26 HB1 GLU 26 43.108 2.650 1.428 191 HG2 GLU 26 HG2 GLU 26 45.337 3.627 1.183 192 HG3 GLU 26 HG1 GLU 26 45.137 4.514 2.693 193 H ALA 27 HN ALA 27 40.820 5.163 2.807 194 HA ALA 27 HA ALA 27 38.804 3.798 1.387 195 HB1 ALA 27 HB1 ALA 27 38.995 5.099 3.836 196 HB2 ALA 27 HB2 ALA 27 37.553 4.326 3.180 197 HB3 ALA 27 HB3 ALA 27 37.815 6.053 2.938 198 H LEU 28 HN LEU 28 39.994 7.061 1.250 199 HA LEU 28 HA LEU 28 37.906 8.181 -0.345 200 HB2 LEU 28 HB2 LEU 28 40.758 9.074 0.126 201 HB3 LEU 28 HB1 LEU 28 39.584 10.008 -0.797 202 HG LEU 28 HG LEU 28 39.188 9.116 2.079 203 HD11 LEU 28 HD11 LEU 28 41.010 10.910 1.527 204 HD12 LEU 28 HD12 LEU 28 39.839 11.247 2.798 205 HD13 LEU 28 HD13 LEU 28 39.630 11.958 1.200 206 HD21 LEU 28 HD21 LEU 28 37.025 9.577 1.537 207 HD22 LEU 28 HD22 LEU 28 37.478 10.437 0.067 208 HD23 LEU 28 HD23 LEU 28 37.539 11.260 1.623 209 H ARG 29 HN ARG 29 40.997 6.667 -1.082 210 HA ARG 29 HA ARG 29 41.053 7.288 -3.828 211 HB2 ARG 29 HB2 ARG 29 42.286 5.019 -2.260 212 HB3 ARG 29 HB1 ARG 29 42.581 5.274 -3.980 213 HG2 ARG 29 HG2 ARG 29 43.464 7.516 -3.518 214 HG3 ARG 29 HG1 ARG 29 43.129 7.305 -1.796 215 HD2 ARG 29 HD2 ARG 29 44.655 5.367 -1.737 216 HD3 ARG 29 HD1 ARG 29 44.991 5.580 -3.453 217 HE ARG 29 HE ARG 29 45.542 8.006 -2.125 218 HH11 ARG 29 HH21 ARG 29 46.617 4.736 -2.359 219 HH12 ARG 29 HH22 ARG 29 48.267 5.096 -1.980 220 HH21 ARG 29 HH11 ARG 29 47.700 8.505 -1.622 221 HH22 ARG 29 HH12 ARG 29 48.886 7.245 -1.587 222 H GLN 30 HN GLN 30 39.589 4.601 -2.060 223 HA GLN 30 HA GLN 30 38.944 3.109 -4.411 224 HB2 GLN 30 HB2 GLN 30 37.847 3.017 -1.591 225 HB3 GLN 30 HB1 GLN 30 37.397 1.875 -2.858 226 HG2 GLN 30 HG2 GLN 30 39.742 1.189 -3.108 227 HG3 GLN 30 HG1 GLN 30 40.230 2.364 -1.888 228 HE21 GLN 30 HE21 GLN 30 41.015 0.025 -1.015 229 HE22 GLN 30 HE22 GLN 30 39.927 -0.713 0.060 230 H ILE 31 HN ILE 31 37.227 5.410 -2.373 231 HA ILE 31 HA ILE 31 34.724 5.166 -3.621 232 HB ILE 31 HB ILE 31 35.992 7.414 -2.056 233 HG12 ILE 31 HG12 ILE 31 33.783 5.515 -1.255 234 HG13 ILE 31 HG11 ILE 31 35.486 5.117 -1.011 235 HG21 ILE 31 HG21 ILE 31 34.304 8.639 -3.005 236 HG22 ILE 31 HG22 ILE 31 33.334 7.813 -1.787 237 HG23 ILE 31 HG23 ILE 31 33.373 7.206 -3.441 238 HD11 ILE 31 HD11 ILE 31 34.400 7.762 -0.074 239 HD12 ILE 31 HD12 ILE 31 35.810 6.875 0.505 240 HD13 ILE 31 HD13 ILE 31 34.188 6.317 0.916 241 H TYR 32 HN TYR 32 37.376 7.525 -4.308 242 HA TYR 32 HA TYR 32 35.943 8.933 -6.310 243 HB2 TYR 32 HB2 TYR 32 37.920 9.913 -5.338 244 HB3 TYR 32 HB1 TYR 32 38.909 8.551 -5.858 245 HD1 TYR 32 HD1 TYR 32 36.823 11.386 -7.124 246 HD2 TYR 32 HD2 TYR 32 39.841 8.462 -8.013 247 HE1 TYR 32 HE1 TYR 32 37.243 12.480 -9.312 248 HE2 TYR 32 HE2 TYR 32 40.259 9.554 -10.193 249 HH TYR 32 HH TYR 32 39.692 11.172 -11.563 250 H LEU 33 HN LEU 33 38.293 6.257 -6.538 251 HA LEU 33 HA LEU 33 38.241 6.014 -9.349 252 HB2 LEU 33 HB2 LEU 33 38.822 3.997 -7.175 253 HB3 LEU 33 HB1 LEU 33 39.068 3.670 -8.888 254 HG LEU 33 HG LEU 33 40.339 6.000 -7.412 255 HD11 LEU 33 HD11 LEU 33 41.005 3.222 -7.297 256 HD12 LEU 33 HD12 LEU 33 41.890 4.585 -6.615 257 HD13 LEU 33 HD13 LEU 33 42.244 4.037 -8.252 258 HD21 LEU 33 HD21 LEU 33 41.904 5.425 -9.589 259 HD22 LEU 33 HD22 LEU 33 40.649 6.662 -9.573 260 HD23 LEU 33 HD23 LEU 33 40.301 5.062 -10.219 261 H SER 34 HN SER 34 36.267 4.403 -6.832 262 HA SER 34 HA SER 34 34.844 2.683 -8.566 263 HB2 SER 34 HB2 SER 34 33.154 2.633 -6.752 264 HB3 SER 34 HB1 SER 34 34.792 2.408 -6.140 265 HG SER 34 HG SER 34 33.514 3.973 -4.968 266 H GLY 35 HN GLY 35 34.396 6.039 -7.645 267 HA2 GLY 35 HA2 GLY 35 31.828 6.373 -8.846 268 HA3 GLY 35 HA1 GLY 35 32.919 7.666 -8.354 269 H LEU 36 HN LEU 36 35.152 6.852 -9.888 270 HA LEU 36 HA LEU 36 34.644 8.171 -12.298 271 HB2 LEU 36 HB2 LEU 36 36.883 8.006 -11.245 272 HB3 LEU 36 HB1 LEU 36 36.925 6.295 -11.655 273 HG LEU 36 HG LEU 36 36.810 6.840 -14.050 274 HD11 LEU 36 HD11 LEU 36 36.427 9.615 -12.969 275 HD12 LEU 36 HD12 LEU 36 35.607 8.822 -14.313 276 HD13 LEU 36 HD13 LEU 36 37.258 9.411 -14.509 277 HD21 LEU 36 HD21 LEU 36 39.060 7.119 -14.088 278 HD22 LEU 36 HD22 LEU 36 38.963 7.266 -12.332 279 HD23 LEU 36 HD23 LEU 36 38.942 8.714 -13.341 280 H HIS 37 HN HIS 37 34.719 4.762 -11.470 281 HA HIS 37 HA HIS 37 34.458 3.805 -14.164 282 HB2 HIS 37 HB2 HIS 37 34.120 2.539 -11.444 283 HB3 HIS 37 HB1 HIS 37 33.868 1.648 -12.949 284 HD2 HIS 37 HD2 HIS 37 36.216 0.782 -14.165 285 HE1 HIS 37 HE1 HIS 37 38.917 2.947 -11.750 286 HE2 HIS 37 HE2 HIS 37 38.729 1.221 -13.603 287 H SER 38 HN SER 38 32.299 4.676 -11.563 288 HA SER 38 HA SER 38 29.923 3.483 -12.532 289 HB2 SER 38 HB2 SER 38 30.166 6.035 -10.923 290 HB3 SER 38 HB1 SER 38 28.739 5.013 -11.061 291 HG SER 38 HG SER 38 31.208 3.974 -10.165 292 H TRP 39 HN TRP 39 31.314 6.774 -13.056 293 HA TRP 39 HA TRP 39 29.148 7.623 -14.693 294 HB2 TRP 39 HB2 TRP 39 31.954 8.630 -14.271 295 HB3 TRP 39 HB1 TRP 39 30.908 9.342 -15.496 296 HD1 TRP 39 HD1 TRP 39 28.216 9.693 -14.260 297 HE1 TRP 39 HE1 TRP 39 27.800 11.068 -12.120 298 HE3 TRP 39 HE3 TRP 39 32.913 9.692 -12.283 299 HZ2 TRP 39 HZ2 TRP 39 29.269 12.037 -9.863 300 HZ3 TRP 39 HZ3 TRP 39 33.385 10.840 -10.144 301 HH2 TRP 39 HH2 TRP 39 31.570 12.019 -8.934 302 H LYS 40 HN LYS 40 32.186 5.972 -15.310 303 HA LYS 40 HA LYS 40 31.979 6.180 -18.177 304 HB2 LYS 40 HB2 LYS 40 33.710 4.477 -16.370 305 HB3 LYS 40 HB1 LYS 40 33.833 4.472 -18.130 306 HG2 LYS 40 HG2 LYS 40 34.306 6.898 -18.105 307 HG3 LYS 40 HG1 LYS 40 34.188 6.903 -16.347 308 HD2 LYS 40 HD2 LYS 40 36.055 5.268 -16.230 309 HD3 LYS 40 HD1 LYS 40 36.198 5.330 -17.987 310 HE2 LYS 40 HE2 LYS 40 36.465 7.749 -16.182 311 HE3 LYS 40 HE1 LYS 40 37.834 6.819 -16.784 312 HZ1 LYS 40 HZ1 LYS 40 37.030 8.889 -18.072 313 HZ2 LYS 40 HZ2 LYS 40 35.820 7.853 -18.665 314 HZ3 LYS 40 HZ3 LYS 40 37.460 7.493 -18.934 315 H LYS 41 HN LYS 41 31.349 4.615 -19.630 316 HA LYS 41 HA LYS 41 29.263 2.863 -18.813 317 HB2 LYS 41 HB2 LYS 41 29.402 3.869 -21.071 318 HB3 LYS 41 HB1 LYS 41 30.831 2.893 -21.403 319 HG2 LYS 41 HG2 LYS 41 29.537 0.841 -21.116 320 HG3 LYS 41 HG1 LYS 41 28.108 1.780 -20.677 321 HD2 LYS 41 HD2 LYS 41 28.133 2.857 -22.895 322 HD3 LYS 41 HD1 LYS 41 29.552 1.910 -23.339 323 HE2 LYS 41 HE2 LYS 41 28.256 -0.171 -23.013 324 HE3 LYS 41 HE1 LYS 41 26.839 0.788 -22.590 325 HZ1 LYS 41 HZ1 LYS 41 26.411 1.175 -24.718 326 HZ2 LYS 41 HZ2 LYS 41 27.587 0.012 -25.106 327 HZ3 LYS 41 HZ3 LYS 41 28.005 1.658 -25.036 328 H LYS 42 HN LYS 42 29.329 0.797 -18.178 329 HA LYS 42 HA LYS 42 31.614 -0.438 -17.263 330 HB2 LYS 42 HB2 LYS 42 29.047 -1.666 -18.266 331 HB3 LYS 42 HB1 LYS 42 30.302 -2.577 -17.424 332 HG2 LYS 42 HG2 LYS 42 30.098 -1.063 -15.486 333 HG3 LYS 42 HG1 LYS 42 28.839 -0.158 -16.327 334 HD2 LYS 42 HD2 LYS 42 27.458 -2.209 -16.451 335 HD3 LYS 42 HD1 LYS 42 28.708 -3.090 -15.570 336 HE2 LYS 42 HE2 LYS 42 28.453 -1.560 -13.661 337 HE3 LYS 42 HE1 LYS 42 27.214 -0.666 -14.538 338 HZ1 LYS 42 HZ1 LYS 42 26.253 -3.127 -14.730 339 HZ2 LYS 42 HZ2 LYS 42 25.859 -2.073 -13.456 340 HZ3 LYS 42 HZ3 LYS 42 27.058 -3.258 -13.242 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 53.980 1.597 10.781 2 H2 MET 1 HT2 MET 1 54.488 0.543 9.550 3 H3 MET 1 HT3 MET 1 54.084 -0.068 11.084 4 HA MET 1 HA MET 1 51.894 1.394 10.126 5 HB2 MET 1 HB2 MET 1 53.075 -0.636 8.212 6 HB3 MET 1 HB1 MET 1 51.391 -0.120 8.159 7 HG2 MET 1 HG2 MET 1 52.108 2.214 7.845 8 HG3 MET 1 HG1 MET 1 53.797 1.712 7.899 9 HE1 MET 1 HE1 MET 1 53.787 -1.126 5.714 10 HE2 MET 1 HE2 MET 1 54.741 -0.005 6.680 11 HE3 MET 1 HE3 MET 1 54.751 0.128 4.925 12 H ALA 2 HN ALA 2 49.993 -0.088 10.095 13 HA ALA 2 HA ALA 2 50.442 -2.617 11.512 14 HB1 ALA 2 HB1 ALA 2 48.173 -1.480 12.717 15 HB2 ALA 2 HB2 ALA 2 49.401 -0.212 12.715 16 HB3 ALA 2 HB3 ALA 2 49.745 -1.770 13.463 17 H GLU 3 HN GLU 3 48.880 -4.151 11.167 18 HA GLU 3 HA GLU 3 47.393 -3.945 8.758 19 HB2 GLU 3 HB2 GLU 3 47.348 -5.993 10.982 20 HB3 GLU 3 HB1 GLU 3 46.431 -6.156 9.486 21 HG2 GLU 3 HG2 GLU 3 48.556 -5.967 8.196 22 HG3 GLU 3 HG1 GLU 3 49.444 -5.906 9.720 23 H ALA 4 HN ALA 4 46.712 -2.952 11.959 24 HA ALA 4 HA ALA 4 43.912 -3.346 12.047 25 HB1 ALA 4 HB1 ALA 4 44.479 -0.929 13.392 26 HB2 ALA 4 HB2 ALA 4 45.890 -1.964 13.621 27 HB3 ALA 4 HB3 ALA 4 44.292 -2.532 14.103 28 H HIS 5 HN HIS 5 45.909 -0.713 10.794 29 HA HIS 5 HA HIS 5 43.762 1.026 10.159 30 HB2 HIS 5 HB2 HIS 5 46.509 0.843 8.890 31 HB3 HIS 5 HB1 HIS 5 45.404 2.216 8.792 32 HD2 HIS 5 HD2 HIS 5 48.238 1.051 11.041 33 HE1 HIS 5 HE1 HIS 5 45.971 3.738 13.380 34 HE2 HIS 5 HE2 HIS 5 48.181 2.494 13.217 35 H GLN 6 HN GLN 6 45.465 -1.496 8.359 36 HA GLN 6 HA GLN 6 44.158 -1.055 5.872 37 HB2 GLN 6 HB2 GLN 6 45.548 -3.470 7.036 38 HB3 GLN 6 HB1 GLN 6 44.910 -3.417 5.393 39 HG2 GLN 6 HG2 GLN 6 46.354 -1.542 4.839 40 HG3 GLN 6 HG1 GLN 6 46.921 -1.444 6.507 41 HE21 GLN 6 HE21 GLN 6 48.990 -1.800 4.851 42 HE22 GLN 6 HE22 GLN 6 49.508 -3.417 4.791 43 H ALA 7 HN ALA 7 43.454 -3.105 8.670 44 HA ALA 7 HA ALA 7 41.392 -4.629 7.520 45 HB1 ALA 7 HB1 ALA 7 42.407 -5.255 9.646 46 HB2 ALA 7 HB2 ALA 7 40.666 -5.047 9.849 47 HB3 ALA 7 HB3 ALA 7 41.774 -3.792 10.402 48 H VAL 8 HN VAL 8 41.337 -1.466 9.122 49 HA VAL 8 HA VAL 8 38.489 -1.225 8.340 50 HB VAL 8 HB VAL 8 38.461 0.591 10.151 51 HG11 VAL 8 HG11 VAL 8 38.430 -1.341 11.965 52 HG12 VAL 8 HG12 VAL 8 38.559 -2.375 10.543 53 HG13 VAL 8 HG13 VAL 8 37.197 -1.265 10.707 54 HG21 VAL 8 HG21 VAL 8 41.144 0.171 10.253 55 HG22 VAL 8 HG22 VAL 8 40.610 -0.914 11.539 56 HG23 VAL 8 HG23 VAL 8 40.209 0.800 11.610 57 H ALA 9 HN ALA 9 37.980 0.305 6.918 58 HA ALA 9 HA ALA 9 40.030 2.321 6.235 59 HB1 ALA 9 HB1 ALA 9 39.418 2.097 4.059 60 HB2 ALA 9 HB2 ALA 9 37.704 1.980 4.457 61 HB3 ALA 9 HB3 ALA 9 38.739 0.559 4.596 62 H PHE 10 HN PHE 10 36.858 1.815 7.473 63 HA PHE 10 HA PHE 10 36.551 4.709 7.803 64 HB2 PHE 10 HB2 PHE 10 34.334 4.815 7.015 65 HB3 PHE 10 HB1 PHE 10 35.214 3.900 5.802 66 HD1 PHE 10 HD1 PHE 10 35.283 1.218 7.470 67 HD2 PHE 10 HD2 PHE 10 32.165 4.002 6.475 68 HE1 PHE 10 HE1 PHE 10 33.615 -0.574 7.712 69 HE2 PHE 10 HE2 PHE 10 30.492 2.190 6.708 70 HZ PHE 10 HZ PHE 10 31.216 -0.095 7.331 71 H GLN 11 HN GLN 11 35.884 5.348 9.792 72 HA GLN 11 HA GLN 11 34.699 3.279 11.563 73 HB2 GLN 11 HB2 GLN 11 37.131 3.717 12.073 74 HB3 GLN 11 HB1 GLN 11 36.674 5.368 12.480 75 HG2 GLN 11 HG2 GLN 11 35.083 4.509 14.169 76 HG3 GLN 11 HG1 GLN 11 35.571 2.862 13.781 77 HE21 GLN 11 HE21 GLN 11 37.128 2.052 15.182 78 HE22 GLN 11 HE22 GLN 11 38.281 2.987 16.009 79 H PHE 12 HN PHE 12 32.941 3.874 12.691 80 HA PHE 12 HA PHE 12 32.225 6.743 12.689 81 HB2 PHE 12 HB2 PHE 12 30.799 5.790 11.103 82 HB3 PHE 12 HB1 PHE 12 30.648 4.286 11.993 83 HD1 PHE 12 HD1 PHE 12 30.284 7.636 13.605 84 HD2 PHE 12 HD2 PHE 12 28.258 4.214 11.974 85 HE1 PHE 12 HE1 PHE 12 28.169 8.378 14.646 86 HE2 PHE 12 HE2 PHE 12 26.140 4.986 12.998 87 HZ PHE 12 HZ PHE 12 26.096 7.073 14.330 88 H THR 13 HN THR 13 32.005 7.522 14.700 89 HA THR 13 HA THR 13 31.087 5.676 16.840 90 HB THR 13 HB THR 13 32.850 7.925 17.594 91 HG1 THR 13 HG1 THR 13 33.906 5.507 16.579 92 HG21 THR 13 HG21 THR 13 33.642 6.251 19.210 93 HG22 THR 13 HG22 THR 13 32.663 5.016 18.418 94 HG23 THR 13 HG23 THR 13 31.883 6.367 19.242 95 H VAL 14 HN VAL 14 29.425 6.323 18.002 96 HA VAL 14 HA VAL 14 28.348 9.008 17.523 97 HB VAL 14 HB VAL 14 26.815 7.123 17.188 98 HG11 VAL 14 HG11 VAL 14 26.559 5.423 18.686 99 HG12 VAL 14 HG12 VAL 14 26.650 6.508 20.073 100 HG13 VAL 14 HG13 VAL 14 28.128 5.958 19.287 101 HG21 VAL 14 HG21 VAL 14 26.056 9.358 18.162 102 HG22 VAL 14 HG22 VAL 14 26.079 8.574 19.742 103 HG23 VAL 14 HG23 VAL 14 24.990 7.989 18.484 104 H THR 15 HN THR 15 28.521 10.606 19.004 105 HA THR 15 HA THR 15 29.084 9.816 21.800 106 HB THR 15 HB THR 15 30.471 11.791 22.028 107 HG1 THR 15 HG1 THR 15 29.332 12.348 19.559 108 HG21 THR 15 HG21 THR 15 31.241 9.581 20.734 109 HG22 THR 15 HG22 THR 15 32.319 10.965 20.933 110 HG23 THR 15 HG23 THR 15 31.449 10.736 19.417 111 HA PRO 16 HA PRO 16 25.421 11.998 23.039 112 HB2 PRO 16 HB2 PRO 16 27.136 13.640 24.846 113 HB3 PRO 16 HB1 PRO 16 25.679 12.705 25.221 114 HG2 PRO 16 HG2 PRO 16 28.186 11.900 25.856 115 HG3 PRO 16 HG1 PRO 16 26.837 10.791 25.567 116 HD2 PRO 16 HD2 PRO 16 29.221 11.267 23.916 117 HD3 PRO 16 HD1 PRO 16 28.058 9.925 23.856 118 H ASP 17 HN ASP 17 28.396 13.885 22.423 119 HA ASP 17 HA ASP 17 27.030 16.334 21.873 120 HB2 ASP 17 HB2 ASP 17 29.823 15.362 21.296 121 HB3 ASP 17 HB1 ASP 17 29.261 16.983 20.893 122 H GLY 18 HN GLY 18 27.621 13.469 19.917 123 HA2 GLY 18 HA2 GLY 18 26.053 14.160 17.817 124 HA3 GLY 18 HA1 GLY 18 27.574 14.957 17.424 125 H ILE 19 HN ILE 19 28.323 13.712 15.733 126 HA ILE 19 HA ILE 19 28.921 10.908 16.343 127 HB ILE 19 HB ILE 19 28.435 10.483 13.881 128 HG12 ILE 19 HG12 ILE 19 26.823 13.018 14.121 129 HG13 ILE 19 HG11 ILE 19 28.410 12.964 13.354 130 HG21 ILE 19 HG21 ILE 19 25.954 11.365 15.345 131 HG22 ILE 19 HG22 ILE 19 26.874 9.972 15.909 132 HG23 ILE 19 HG23 ILE 19 26.165 9.964 14.297 133 HD11 ILE 19 HD11 ILE 19 27.581 11.995 11.485 134 HD12 ILE 19 HD12 ILE 19 25.990 12.445 12.096 135 HD13 ILE 19 HD13 ILE 19 26.633 10.834 12.415 136 H ASP 20 HN ASP 20 30.753 10.142 15.396 137 HA ASP 20 HA ASP 20 32.538 12.154 14.150 138 HB2 ASP 20 HB2 ASP 20 33.214 9.923 16.085 139 HB3 ASP 20 HB1 ASP 20 34.422 10.850 15.192 140 H LEU 21 HN LEU 21 33.516 11.563 12.227 141 HA LEU 21 HA LEU 21 33.240 8.743 11.406 142 HB2 LEU 21 HB2 LEU 21 32.610 11.229 9.776 143 HB3 LEU 21 HB1 LEU 21 32.728 9.611 9.095 144 HG LEU 21 HG LEU 21 30.845 10.301 11.370 145 HD11 LEU 21 HD11 LEU 21 29.074 10.334 9.586 146 HD12 LEU 21 HD12 LEU 21 30.361 10.317 8.378 147 HD13 LEU 21 HD13 LEU 21 30.208 11.682 9.482 148 HD21 LEU 21 HD21 LEU 21 31.589 7.861 10.014 149 HD22 LEU 21 HD22 LEU 21 29.898 8.220 9.685 150 HD23 LEU 21 HD23 LEU 21 30.461 8.086 11.345 151 H ARG 22 HN ARG 22 35.195 7.991 11.015 152 HA ARG 22 HA ARG 22 37.297 9.828 9.998 153 HB2 ARG 22 HB2 ARG 22 37.558 7.456 11.859 154 HB3 ARG 22 HB1 ARG 22 38.926 8.308 11.143 155 HG2 ARG 22 HG2 ARG 22 38.261 10.385 12.229 156 HG3 ARG 22 HG1 ARG 22 36.796 9.628 12.852 157 HD2 ARG 22 HD2 ARG 22 38.428 9.651 14.637 158 HD3 ARG 22 HD1 ARG 22 38.246 7.990 14.086 159 HE ARG 22 HE ARG 22 40.385 9.262 12.697 160 HH11 ARG 22 HH21 ARG 22 39.458 7.956 15.773 161 HH12 ARG 22 HH22 ARG 22 41.069 7.513 16.226 162 HH21 ARG 22 HH11 ARG 22 42.506 8.684 13.299 163 HH22 ARG 22 HH12 ARG 22 42.790 7.924 14.829 164 H LEU 23 HN LEU 23 38.414 9.272 8.195 165 HA LEU 23 HA LEU 23 38.145 6.510 7.234 166 HB2 LEU 23 HB2 LEU 23 37.636 8.963 5.531 167 HB3 LEU 23 HB1 LEU 23 37.691 7.296 4.957 168 HG LEU 23 HG LEU 23 35.883 7.027 6.950 169 HD11 LEU 23 HD11 LEU 23 36.099 9.560 7.311 170 HD12 LEU 23 HD12 LEU 23 34.462 8.925 7.129 171 HD13 LEU 23 HD13 LEU 23 35.249 9.735 5.774 172 HD21 LEU 23 HD21 LEU 23 35.288 8.005 4.137 173 HD22 LEU 23 HD22 LEU 23 34.160 7.145 5.184 174 HD23 LEU 23 HD23 LEU 23 35.605 6.329 4.591 175 H SER 24 HN SER 24 39.916 5.739 6.291 176 HA SER 24 HA SER 24 42.360 7.238 6.484 177 HB2 SER 24 HB2 SER 24 43.445 5.223 6.000 178 HB3 SER 24 HB1 SER 24 41.984 4.701 6.833 179 HG SER 24 HG SER 24 42.491 4.769 4.041 180 H HIS 25 HN HIS 25 43.809 7.659 4.760 181 HA HIS 25 HA HIS 25 42.719 8.954 2.530 182 HB2 HIS 25 HB2 HIS 25 45.498 7.826 2.930 183 HB3 HIS 25 HB1 HIS 25 45.040 8.966 1.663 184 HD2 HIS 25 HD2 HIS 25 46.129 9.028 5.342 185 HE1 HIS 25 HE1 HIS 25 44.596 12.868 4.487 186 HE2 HIS 25 HE2 HIS 25 45.901 11.492 6.177 187 H GLU 26 HN GLU 26 43.719 5.688 3.061 188 HA GLU 26 HA GLU 26 43.801 4.827 0.349 189 HB2 GLU 26 HB2 GLU 26 43.389 3.311 2.934 190 HB3 GLU 26 HB1 GLU 26 43.565 2.533 1.359 191 HG2 GLU 26 HG2 GLU 26 45.765 3.526 1.060 192 HG3 GLU 26 HG1 GLU 26 45.588 4.448 2.550 193 H ALA 27 HN ALA 27 41.292 4.980 2.808 194 HA ALA 27 HA ALA 27 39.279 3.553 1.456 195 HB1 ALA 27 HB1 ALA 27 38.260 5.771 3.040 196 HB2 ALA 27 HB2 ALA 27 39.525 4.885 3.891 197 HB3 ALA 27 HB3 ALA 27 38.096 4.035 3.306 198 H LEU 28 HN LEU 28 40.393 6.836 1.277 199 HA LEU 28 HA LEU 28 38.246 7.910 -0.271 200 HB2 LEU 28 HB2 LEU 28 41.104 8.841 0.069 201 HB3 LEU 28 HB1 LEU 28 39.857 9.762 -0.769 202 HG LEU 28 HG LEU 28 39.665 8.831 2.113 203 HD11 LEU 28 HD11 LEU 28 41.051 10.563 2.530 204 HD12 LEU 28 HD12 LEU 28 39.725 11.612 2.039 205 HD13 LEU 28 HD13 LEU 28 40.952 11.136 0.868 206 HD21 LEU 28 HD21 LEU 28 37.451 9.161 1.539 207 HD22 LEU 28 HD22 LEU 28 37.842 10.287 0.239 208 HD23 LEU 28 HD23 LEU 28 37.887 10.826 1.916 209 H ARG 29 HN ARG 29 41.349 6.476 -1.080 210 HA ARG 29 HA ARG 29 41.315 7.028 -3.834 211 HB2 ARG 29 HB2 ARG 29 43.331 6.279 -2.611 212 HB3 ARG 29 HB1 ARG 29 42.606 4.681 -2.417 213 HG2 ARG 29 HG2 ARG 29 42.514 4.403 -4.853 214 HG3 ARG 29 HG1 ARG 29 43.176 6.023 -5.077 215 HD2 ARG 29 HD2 ARG 29 44.598 3.800 -3.592 216 HD3 ARG 29 HD1 ARG 29 44.884 4.197 -5.282 217 HE ARG 29 HE ARG 29 45.759 5.724 -2.971 218 HH11 ARG 29 HH21 ARG 29 45.085 5.676 -6.370 219 HH12 ARG 29 HH22 ARG 29 46.106 7.027 -6.729 220 HH21 ARG 29 HH11 ARG 29 47.106 7.500 -3.451 221 HH22 ARG 29 HH12 ARG 29 47.240 8.058 -5.083 222 H GLN 30 HN GLN 30 39.944 4.315 -2.005 223 HA GLN 30 HA GLN 30 39.152 2.845 -4.337 224 HB2 GLN 30 HB2 GLN 30 38.216 2.727 -1.461 225 HB3 GLN 30 HB1 GLN 30 37.747 1.573 -2.707 226 HG2 GLN 30 HG2 GLN 30 40.605 2.144 -1.863 227 HG3 GLN 30 HG1 GLN 30 39.653 0.760 -1.326 228 HE21 GLN 30 HE21 GLN 30 42.000 1.550 -3.547 229 HE22 GLN 30 HE22 GLN 30 41.638 0.405 -4.752 230 H ILE 31 HN ILE 31 37.548 5.033 -2.076 231 HA ILE 31 HA ILE 31 34.976 4.860 -3.188 232 HB ILE 31 HB ILE 31 36.316 7.017 -1.554 233 HG12 ILE 31 HG12 ILE 31 34.136 5.075 -0.759 234 HG13 ILE 31 HG11 ILE 31 35.845 4.655 -0.625 235 HG21 ILE 31 HG21 ILE 31 33.874 7.706 -1.135 236 HG22 ILE 31 HG22 ILE 31 33.477 6.760 -2.569 237 HG23 ILE 31 HG23 ILE 31 34.557 8.148 -2.699 238 HD11 ILE 31 HD11 ILE 31 36.253 6.333 0.984 239 HD12 ILE 31 HD12 ILE 31 34.679 5.692 1.452 240 HD13 ILE 31 HD13 ILE 31 34.785 7.215 0.567 241 H TYR 32 HN TYR 32 37.600 7.238 -3.889 242 HA TYR 32 HA TYR 32 36.057 8.827 -5.641 243 HB2 TYR 32 HB2 TYR 32 38.195 9.610 -4.797 244 HB3 TYR 32 HB1 TYR 32 39.027 8.273 -5.591 245 HD1 TYR 32 HD1 TYR 32 37.052 11.374 -6.211 246 HD2 TYR 32 HD2 TYR 32 39.561 8.321 -7.896 247 HE1 TYR 32 HE1 TYR 32 37.261 12.693 -8.305 248 HE2 TYR 32 HE2 TYR 32 39.767 9.636 -9.981 249 HH TYR 32 HH TYR 32 39.563 11.881 -10.749 250 H LEU 33 HN LEU 33 38.303 6.144 -6.304 251 HA LEU 33 HA LEU 33 37.914 6.094 -9.092 252 HB2 LEU 33 HB2 LEU 33 38.730 3.943 -7.136 253 HB3 LEU 33 HB1 LEU 33 38.738 3.709 -8.880 254 HG LEU 33 HG LEU 33 40.228 5.959 -7.491 255 HD11 LEU 33 HD11 LEU 33 41.394 3.362 -8.528 256 HD12 LEU 33 HD12 LEU 33 41.011 3.640 -6.831 257 HD13 LEU 33 HD13 LEU 33 42.229 4.630 -7.632 258 HD21 LEU 33 HD21 LEU 33 39.780 5.161 -10.291 259 HD22 LEU 33 HD22 LEU 33 41.487 5.332 -9.888 260 HD23 LEU 33 HD23 LEU 33 40.382 6.683 -9.638 261 H SER 34 HN SER 34 36.256 4.329 -6.454 262 HA SER 34 HA SER 34 34.607 2.734 -8.079 263 HB2 SER 34 HB2 SER 34 33.184 2.489 -6.127 264 HB3 SER 34 HB1 SER 34 34.865 2.474 -5.599 265 HG SER 34 HG SER 34 33.764 4.981 -5.740 266 H GLY 35 HN GLY 35 34.346 6.057 -6.980 267 HA2 GLY 35 HA2 GLY 35 31.683 6.493 -7.933 268 HA3 GLY 35 HA1 GLY 35 32.840 7.741 -7.472 269 H LEU 36 HN LEU 36 34.919 6.994 -9.211 270 HA LEU 36 HA LEU 36 34.292 8.459 -11.496 271 HB2 LEU 36 HB2 LEU 36 36.587 8.183 -10.708 272 HB3 LEU 36 HB1 LEU 36 36.521 6.458 -11.055 273 HG LEU 36 HG LEU 36 36.233 6.927 -13.453 274 HD11 LEU 36 HD11 LEU 36 36.720 9.467 -14.023 275 HD12 LEU 36 HD12 LEU 36 36.025 9.734 -12.425 276 HD13 LEU 36 HD13 LEU 36 35.078 8.930 -13.676 277 HD21 LEU 36 HD21 LEU 36 38.531 6.888 -12.307 278 HD22 LEU 36 HD22 LEU 36 38.506 8.646 -12.453 279 HD23 LEU 36 HD23 LEU 36 38.453 7.640 -13.901 280 H HIS 37 HN HIS 37 34.290 4.992 -10.910 281 HA HIS 37 HA HIS 37 33.760 4.274 -13.639 282 HB2 HIS 37 HB2 HIS 37 33.686 2.777 -11.023 283 HB3 HIS 37 HB1 HIS 37 33.209 2.026 -12.545 284 HD2 HIS 37 HD2 HIS 37 35.351 1.489 -14.330 285 HE1 HIS 37 HE1 HIS 37 38.430 2.780 -11.746 286 HE2 HIS 37 HE2 HIS 37 37.931 1.600 -13.937 287 H SER 38 HN SER 38 31.843 4.979 -10.790 288 HA SER 38 HA SER 38 29.361 3.918 -11.703 289 HB2 SER 38 HB2 SER 38 29.915 6.141 -9.728 290 HB3 SER 38 HB1 SER 38 28.336 5.407 -9.997 291 HG SER 38 HG SER 38 30.651 4.349 -8.826 292 H TRP 39 HN TRP 39 30.828 7.189 -11.983 293 HA TRP 39 HA TRP 39 28.551 8.365 -13.215 294 HB2 TRP 39 HB2 TRP 39 30.293 9.720 -12.129 295 HB3 TRP 39 HB1 TRP 39 31.469 9.179 -13.326 296 HD1 TRP 39 HD1 TRP 39 31.550 10.424 -15.574 297 HE1 TRP 39 HE1 TRP 39 30.178 12.327 -16.644 298 HE3 TRP 39 HE3 TRP 39 27.735 10.786 -12.189 299 HZ2 TRP 39 HZ2 TRP 39 27.787 13.804 -16.137 300 HZ3 TRP 39 HZ3 TRP 39 25.928 12.452 -12.512 301 HH2 TRP 39 HH2 TRP 39 25.951 13.959 -14.479 302 H LYS 40 HN LYS 40 31.043 6.287 -14.334 303 HA LYS 40 HA LYS 40 31.617 5.488 -16.413 304 HB2 LYS 40 HB2 LYS 40 28.767 6.278 -17.069 305 HB3 LYS 40 HB1 LYS 40 29.766 5.151 -17.984 306 HG2 LYS 40 HG2 LYS 40 29.121 4.725 -15.062 307 HG3 LYS 40 HG1 LYS 40 28.085 4.120 -16.351 308 HD2 LYS 40 HD2 LYS 40 30.003 2.837 -17.272 309 HD3 LYS 40 HD1 LYS 40 31.008 3.401 -15.940 310 HE2 LYS 40 HE2 LYS 40 29.505 2.363 -14.316 311 HE3 LYS 40 HE1 LYS 40 28.449 1.822 -15.621 312 HZ1 LYS 40 HZ1 LYS 40 29.691 -0.005 -15.638 313 HZ2 LYS 40 HZ2 LYS 40 30.902 0.694 -14.673 314 HZ3 LYS 40 HZ3 LYS 40 30.911 0.930 -16.355 315 H LYS 41 HN LYS 41 32.959 7.567 -16.363 316 HA LYS 41 HA LYS 41 32.214 9.815 -17.895 317 HB2 LYS 41 HB2 LYS 41 34.133 9.731 -16.304 318 HB3 LYS 41 HB1 LYS 41 34.998 8.713 -17.453 319 HG2 LYS 41 HG2 LYS 41 34.910 10.483 -19.137 320 HG3 LYS 41 HG1 LYS 41 33.959 11.500 -18.054 321 HD2 LYS 41 HD2 LYS 41 35.823 11.496 -16.428 322 HD3 LYS 41 HD1 LYS 41 36.776 10.499 -17.530 323 HE2 LYS 41 HE2 LYS 41 36.629 12.287 -19.244 324 HE3 LYS 41 HE1 LYS 41 35.729 13.285 -18.105 325 HZ1 LYS 41 HZ1 LYS 41 38.552 12.652 -18.175 326 HZ2 LYS 41 HZ2 LYS 41 37.839 12.603 -16.632 327 HZ3 LYS 41 HZ3 LYS 41 37.759 14.021 -17.562 328 H LYS 42 HN LYS 42 32.180 10.179 -20.039 329 HA LYS 42 HA LYS 42 32.353 8.002 -21.862 330 HB2 LYS 42 HB2 LYS 42 32.187 10.985 -22.319 331 HB3 LYS 42 HB1 LYS 42 32.016 9.767 -23.584 332 HG2 LYS 42 HG2 LYS 42 30.114 8.773 -22.402 333 HG3 LYS 42 HG1 LYS 42 30.294 9.946 -21.097 334 HD2 LYS 42 HD2 LYS 42 29.887 11.783 -22.717 335 HD3 LYS 42 HD1 LYS 42 29.641 10.582 -23.987 336 HE2 LYS 42 HE2 LYS 42 27.760 9.616 -22.737 337 HE3 LYS 42 HE1 LYS 42 28.013 10.783 -21.439 338 HZ1 LYS 42 HZ1 LYS 42 27.341 11.456 -24.250 339 HZ2 LYS 42 HZ2 LYS 42 27.573 12.570 -22.988 340 HZ3 LYS 42 HZ3 LYS 42 26.262 11.491 -22.943 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 52.267 -9.247 10.141 2 H2 MET 1 HT2 MET 1 53.305 -10.591 10.154 3 H3 MET 1 HT3 MET 1 52.179 -10.394 8.894 4 HA MET 1 HA MET 1 53.795 -8.090 9.068 5 HB2 MET 1 HB2 MET 1 55.240 -10.748 8.809 6 HB3 MET 1 HB1 MET 1 55.952 -9.173 8.458 7 HG2 MET 1 HG2 MET 1 54.763 -9.922 11.140 8 HG3 MET 1 HG1 MET 1 56.479 -10.031 10.769 9 HE1 MET 1 HE1 MET 1 57.855 -6.667 10.531 10 HE2 MET 1 HE2 MET 1 57.114 -7.187 9.020 11 HE3 MET 1 HE3 MET 1 57.905 -8.371 10.056 12 H ALA 2 HN ALA 2 53.324 -11.227 7.441 13 HA ALA 2 HA ALA 2 53.293 -9.848 4.842 14 HB1 ALA 2 HB1 ALA 2 54.385 -12.301 5.701 15 HB2 ALA 2 HB2 ALA 2 54.328 -11.669 4.055 16 HB3 ALA 2 HB3 ALA 2 53.030 -12.709 4.645 17 H GLU 3 HN GLU 3 51.532 -9.851 3.509 18 HA GLU 3 HA GLU 3 49.288 -9.824 2.977 19 HB2 GLU 3 HB2 GLU 3 49.534 -12.582 4.201 20 HB3 GLU 3 HB1 GLU 3 48.115 -12.010 3.320 21 HG2 GLU 3 HG2 GLU 3 49.395 -11.713 1.303 22 HG3 GLU 3 HG1 GLU 3 50.909 -12.026 2.152 23 H ALA 4 HN ALA 4 50.079 -8.766 5.603 24 HA ALA 4 HA ALA 4 47.597 -9.278 7.134 25 HB1 ALA 4 HB1 ALA 4 49.524 -9.939 8.414 26 HB2 ALA 4 HB2 ALA 4 48.918 -8.425 9.093 27 HB3 ALA 4 HB3 ALA 4 50.343 -8.418 8.052 28 H HIS 5 HN HIS 5 46.394 -7.551 7.873 29 HA HIS 5 HA HIS 5 47.327 -4.835 7.297 30 HB2 HIS 5 HB2 HIS 5 46.050 -5.644 5.291 31 HB3 HIS 5 HB1 HIS 5 44.636 -5.821 6.327 32 HD2 HIS 5 HD2 HIS 5 46.877 -2.916 4.864 33 HE1 HIS 5 HE1 HIS 5 43.396 -1.206 6.532 34 HE2 HIS 5 HE2 HIS 5 45.499 -0.723 5.195 35 H GLN 6 HN GLN 6 46.768 -3.450 8.868 36 HA GLN 6 HA GLN 6 44.563 -4.190 10.680 37 HB2 GLN 6 HB2 GLN 6 46.709 -4.807 11.730 38 HB3 GLN 6 HB1 GLN 6 47.283 -3.157 11.516 39 HG2 GLN 6 HG2 GLN 6 46.448 -3.500 13.808 40 HG3 GLN 6 HG1 GLN 6 45.453 -2.324 12.954 41 HE21 GLN 6 HE21 GLN 6 43.405 -2.701 13.887 42 HE22 GLN 6 HE22 GLN 6 42.624 -4.209 13.869 43 H ALA 7 HN ALA 7 43.224 -2.652 9.681 44 HA ALA 7 HA ALA 7 43.374 -0.043 10.787 45 HB1 ALA 7 HB1 ALA 7 43.411 0.652 8.053 46 HB2 ALA 7 HB2 ALA 7 44.766 -0.448 8.302 47 HB3 ALA 7 HB3 ALA 7 44.634 1.018 9.271 48 H VAL 8 HN VAL 8 41.619 1.382 9.918 49 HA VAL 8 HA VAL 8 39.358 -0.238 8.902 50 HB VAL 8 HB VAL 8 39.428 1.909 11.023 51 HG11 VAL 8 HG11 VAL 8 37.215 1.023 9.214 52 HG12 VAL 8 HG12 VAL 8 37.527 2.617 9.910 53 HG13 VAL 8 HG13 VAL 8 36.826 1.338 10.907 54 HG21 VAL 8 HG21 VAL 8 37.995 -0.736 11.120 55 HG22 VAL 8 HG22 VAL 8 38.630 0.232 12.452 56 HG23 VAL 8 HG23 VAL 8 39.733 -0.670 11.415 57 H ALA 9 HN ALA 9 38.385 0.484 7.125 58 HA ALA 9 HA ALA 9 39.396 2.753 5.719 59 HB1 ALA 9 HB1 ALA 9 37.020 0.946 5.258 60 HB2 ALA 9 HB2 ALA 9 38.577 0.907 4.435 61 HB3 ALA 9 HB3 ALA 9 37.468 2.250 4.159 62 H PHE 10 HN PHE 10 36.327 2.076 7.413 63 HA PHE 10 HA PHE 10 35.937 4.972 7.700 64 HB2 PHE 10 HB2 PHE 10 34.587 4.530 5.828 65 HB3 PHE 10 HB1 PHE 10 34.056 2.982 6.461 66 HD1 PHE 10 HD1 PHE 10 34.127 6.098 8.526 67 HD2 PHE 10 HD2 PHE 10 31.725 3.395 6.201 68 HE1 PHE 10 HE1 PHE 10 32.077 7.122 9.452 69 HE2 PHE 10 HE2 PHE 10 29.673 4.433 7.120 70 HZ PHE 10 HZ PHE 10 29.847 6.296 8.746 71 H GLN 11 HN GLN 11 35.424 5.477 9.770 72 HA GLN 11 HA GLN 11 34.130 3.409 11.450 73 HB2 GLN 11 HB2 GLN 11 36.502 3.505 12.047 74 HB3 GLN 11 HB1 GLN 11 36.376 5.242 12.313 75 HG2 GLN 11 HG2 GLN 11 34.764 4.876 14.123 76 HG3 GLN 11 HG1 GLN 11 34.793 3.139 13.817 77 HE21 GLN 11 HE21 GLN 11 35.526 4.298 16.365 78 HE22 GLN 11 HE22 GLN 11 37.177 3.995 16.617 79 H PHE 12 HN PHE 12 32.455 4.037 12.649 80 HA PHE 12 HA PHE 12 31.895 6.933 12.823 81 HB2 PHE 12 HB2 PHE 12 30.323 6.134 11.267 82 HB3 PHE 12 HB1 PHE 12 30.127 4.608 12.108 83 HD1 PHE 12 HD1 PHE 12 30.076 7.894 13.861 84 HD2 PHE 12 HD2 PHE 12 27.725 4.686 12.250 85 HE1 PHE 12 HE1 PHE 12 28.103 8.737 15.077 86 HE2 PHE 12 HE2 PHE 12 25.739 5.552 13.455 87 HZ PHE 12 HZ PHE 12 25.930 7.576 14.866 88 H THR 13 HN THR 13 31.810 7.606 14.873 89 HA THR 13 HA THR 13 30.918 5.700 16.960 90 HB THR 13 HB THR 13 32.867 7.828 17.650 91 HG1 THR 13 HG1 THR 13 34.492 6.837 16.721 92 HG21 THR 13 HG21 THR 13 32.440 4.973 18.560 93 HG22 THR 13 HG22 THR 13 31.861 6.421 19.383 94 HG23 THR 13 HG23 THR 13 33.591 6.109 19.261 95 H VAL 14 HN VAL 14 29.399 6.365 18.265 96 HA VAL 14 HA VAL 14 28.450 9.123 17.998 97 HB VAL 14 HB VAL 14 26.784 7.379 17.635 98 HG11 VAL 14 HG11 VAL 14 26.643 5.514 18.904 99 HG12 VAL 14 HG12 VAL 14 26.643 6.448 20.399 100 HG13 VAL 14 HG13 VAL 14 28.169 6.017 19.628 101 HG21 VAL 14 HG21 VAL 14 25.096 8.259 19.058 102 HG22 VAL 14 HG22 VAL 14 26.274 9.563 18.903 103 HG23 VAL 14 HG23 VAL 14 26.246 8.567 20.359 104 H THR 15 HN THR 15 28.848 10.598 19.550 105 HA THR 15 HA THR 15 29.588 9.605 22.241 106 HB THR 15 HB THR 15 30.598 12.098 22.233 107 HG1 THR 15 HG1 THR 15 31.654 11.893 19.928 108 HG21 THR 15 HG21 THR 15 32.045 10.360 22.820 109 HG22 THR 15 HG22 THR 15 32.762 10.957 21.321 110 HG23 THR 15 HG23 THR 15 31.775 9.495 21.303 111 HA PRO 16 HA PRO 16 26.078 11.765 23.808 112 HB2 PRO 16 HB2 PRO 16 27.183 13.155 25.959 113 HB3 PRO 16 HB1 PRO 16 26.667 11.457 26.009 114 HG2 PRO 16 HG2 PRO 16 29.398 12.597 25.646 115 HG3 PRO 16 HG1 PRO 16 28.882 11.167 26.559 116 HD2 PRO 16 HD2 PRO 16 30.057 10.925 24.148 117 HD3 PRO 16 HD1 PRO 16 28.755 9.824 24.650 118 H ASP 17 HN ASP 17 29.035 13.468 23.007 119 HA ASP 17 HA ASP 17 27.771 16.080 22.987 120 HB2 ASP 17 HB2 ASP 17 29.961 16.812 22.081 121 HB3 ASP 17 HB1 ASP 17 30.109 15.932 23.602 122 H GLY 18 HN GLY 18 28.115 13.425 20.737 123 HA2 GLY 18 HA2 GLY 18 26.476 14.411 18.802 124 HA3 GLY 18 HA1 GLY 18 28.030 15.119 18.376 125 H ILE 19 HN ILE 19 28.536 13.986 16.525 126 HA ILE 19 HA ILE 19 28.895 11.084 16.814 127 HB ILE 19 HB ILE 19 28.265 10.943 14.376 128 HG12 ILE 19 HG12 ILE 19 27.111 13.698 14.879 129 HG13 ILE 19 HG11 ILE 19 28.559 13.389 13.921 130 HG21 ILE 19 HG21 ILE 19 26.046 11.990 16.142 131 HG22 ILE 19 HG22 ILE 19 26.727 10.371 16.299 132 HG23 ILE 19 HG23 ILE 19 25.899 10.841 14.815 133 HD11 ILE 19 HD11 ILE 19 26.424 11.650 13.051 134 HD12 ILE 19 HD12 ILE 19 27.311 12.859 12.122 135 HD13 ILE 19 HD13 ILE 19 25.876 13.328 13.034 136 H ASP 20 HN ASP 20 30.612 10.255 15.700 137 HA ASP 20 HA ASP 20 32.526 12.194 14.532 138 HB2 ASP 20 HB2 ASP 20 33.079 9.839 16.355 139 HB3 ASP 20 HB1 ASP 20 34.329 10.689 15.449 140 H LEU 21 HN LEU 21 33.365 11.623 12.548 141 HA LEU 21 HA LEU 21 32.948 8.837 11.652 142 HB2 LEU 21 HB2 LEU 21 32.537 11.315 9.941 143 HB3 LEU 21 HB1 LEU 21 32.273 9.644 9.457 144 HG LEU 21 HG LEU 21 30.747 10.875 11.764 145 HD11 LEU 21 HD11 LEU 21 28.906 11.251 10.109 146 HD12 LEU 21 HD12 LEU 21 30.042 10.872 8.813 147 HD13 LEU 21 HD13 LEU 21 30.303 12.291 9.829 148 HD21 LEU 21 HD21 LEU 21 30.687 8.424 11.561 149 HD22 LEU 21 HD22 LEU 21 30.214 8.560 9.872 150 HD23 LEU 21 HD23 LEU 21 29.118 9.100 11.141 151 H ARG 22 HN ARG 22 34.843 8.017 11.141 152 HA ARG 22 HA ARG 22 36.992 9.829 10.184 153 HB2 ARG 22 HB2 ARG 22 37.200 7.396 11.968 154 HB3 ARG 22 HB1 ARG 22 38.584 8.247 11.281 155 HG2 ARG 22 HG2 ARG 22 37.885 10.322 12.397 156 HG3 ARG 22 HG1 ARG 22 36.473 9.504 13.062 157 HD2 ARG 22 HD2 ARG 22 37.961 7.940 14.280 158 HD3 ARG 22 HD1 ARG 22 39.363 8.781 13.628 159 HE ARG 22 HE ARG 22 38.938 10.569 15.090 160 HH11 ARG 22 HH21 ARG 22 36.415 8.187 15.152 161 HH12 ARG 22 HH22 ARG 22 35.672 8.819 16.581 162 HH21 ARG 22 HH11 ARG 22 37.958 11.390 16.973 163 HH22 ARG 22 HH12 ARG 22 36.541 10.625 17.610 164 H LEU 23 HN LEU 23 38.084 9.310 8.358 165 HA LEU 23 HA LEU 23 37.713 6.609 7.289 166 HB2 LEU 23 HB2 LEU 23 37.340 9.135 5.663 167 HB3 LEU 23 HB1 LEU 23 37.282 7.484 5.055 168 HG LEU 23 HG LEU 23 35.445 7.286 7.021 169 HD11 LEU 23 HD11 LEU 23 34.835 10.012 5.917 170 HD12 LEU 23 HD12 LEU 23 35.887 9.878 7.326 171 HD13 LEU 23 HD13 LEU 23 34.241 9.252 7.393 172 HD21 LEU 23 HD21 LEU 23 33.756 7.789 5.175 173 HD22 LEU 23 HD22 LEU 23 35.004 6.617 4.754 174 HD23 LEU 23 HD23 LEU 23 35.125 8.277 4.178 175 H SER 24 HN SER 24 39.531 5.784 6.448 176 HA SER 24 HA SER 24 41.982 7.273 6.648 177 HB2 SER 24 HB2 SER 24 43.083 5.272 6.169 178 HB3 SER 24 HB1 SER 24 41.606 4.718 6.954 179 HG SER 24 HG SER 24 40.725 4.519 4.795 180 H HIS 25 HN HIS 25 43.439 7.732 4.936 181 HA HIS 25 HA HIS 25 42.331 9.060 2.737 182 HB2 HIS 25 HB2 HIS 25 45.117 7.943 3.112 183 HB3 HIS 25 HB1 HIS 25 44.652 9.060 1.828 184 HD2 HIS 25 HD2 HIS 25 43.877 11.689 2.780 185 HE1 HIS 25 HE1 HIS 25 45.497 11.132 6.639 186 HE2 HIS 25 HE2 HIS 25 44.536 12.843 5.028 187 H GLU 26 HN GLU 26 43.245 5.759 3.186 188 HA GLU 26 HA GLU 26 43.328 4.972 0.450 189 HB2 GLU 26 HB2 GLU 26 44.273 3.596 2.300 190 HB3 GLU 26 HB1 GLU 26 42.630 3.276 2.859 191 HG2 GLU 26 HG2 GLU 26 42.072 2.238 0.706 192 HG3 GLU 26 HG1 GLU 26 43.688 2.594 0.101 193 H ALA 27 HN ALA 27 40.801 5.119 2.896 194 HA ALA 27 HA ALA 27 38.756 3.835 1.470 195 HB1 ALA 27 HB1 ALA 27 38.101 6.161 3.223 196 HB2 ALA 27 HB2 ALA 27 38.894 4.762 3.947 197 HB3 ALA 27 HB3 ALA 27 37.342 4.571 3.131 198 H LEU 28 HN LEU 28 40.029 7.058 1.333 199 HA LEU 28 HA LEU 28 37.960 8.207 -0.291 200 HB2 LEU 28 HB2 LEU 28 40.811 9.051 0.254 201 HB3 LEU 28 HB1 LEU 28 39.713 9.985 -0.756 202 HG LEU 28 HG LEU 28 39.112 9.172 2.105 203 HD11 LEU 28 HD11 LEU 28 40.850 11.229 1.098 204 HD12 LEU 28 HD12 LEU 28 40.447 10.850 2.772 205 HD13 LEU 28 HD13 LEU 28 39.446 11.977 1.860 206 HD21 LEU 28 HD21 LEU 28 37.559 11.312 1.638 207 HD22 LEU 28 HD22 LEU 28 37.028 9.676 1.258 208 HD23 LEU 28 HD23 LEU 28 37.672 10.711 -0.012 209 H ARG 29 HN ARG 29 41.064 6.687 -0.955 210 HA ARG 29 HA ARG 29 41.168 7.241 -3.714 211 HB2 ARG 29 HB2 ARG 29 42.386 5.041 -2.042 212 HB3 ARG 29 HB1 ARG 29 42.737 5.256 -3.758 213 HG2 ARG 29 HG2 ARG 29 43.570 7.513 -3.346 214 HG3 ARG 29 HG1 ARG 29 43.118 7.398 -1.645 215 HD2 ARG 29 HD2 ARG 29 45.516 6.950 -1.891 216 HD3 ARG 29 HD1 ARG 29 44.681 5.488 -1.376 217 HE ARG 29 HE ARG 29 45.074 4.542 -3.489 218 HH11 ARG 29 HH21 ARG 29 46.100 7.854 -3.297 219 HH12 ARG 29 HH22 ARG 29 46.993 7.799 -4.780 220 HH21 ARG 29 HH11 ARG 29 46.236 4.481 -5.434 221 HH22 ARG 29 HH12 ARG 29 47.068 5.897 -5.988 222 H GLN 30 HN GLN 30 39.685 4.554 -1.938 223 HA GLN 30 HA GLN 30 39.068 3.036 -4.275 224 HB2 GLN 30 HB2 GLN 30 37.939 2.985 -1.469 225 HB3 GLN 30 HB1 GLN 30 37.524 1.813 -2.723 226 HG2 GLN 30 HG2 GLN 30 39.882 1.181 -2.947 227 HG3 GLN 30 HG1 GLN 30 40.332 2.377 -1.733 228 HE21 GLN 30 HE21 GLN 30 41.186 0.130 -0.786 229 HE22 GLN 30 HE22 GLN 30 40.104 -0.664 0.254 230 H ILE 31 HN ILE 31 37.305 5.398 -2.311 231 HA ILE 31 HA ILE 31 34.836 5.114 -3.633 232 HB ILE 31 HB ILE 31 36.008 7.443 -2.108 233 HG12 ILE 31 HG12 ILE 31 33.823 5.481 -1.346 234 HG13 ILE 31 HG11 ILE 31 35.516 5.238 -0.921 235 HG21 ILE 31 HG21 ILE 31 33.358 7.041 -3.468 236 HG22 ILE 31 HG22 ILE 31 34.367 8.486 -3.410 237 HG23 ILE 31 HG23 ILE 31 33.443 8.000 -1.992 238 HD11 ILE 31 HD11 ILE 31 35.466 6.840 0.697 239 HD12 ILE 31 HD12 ILE 31 33.720 6.607 0.629 240 HD13 ILE 31 HD13 ILE 31 34.468 7.921 -0.277 241 H TYR 32 HN TYR 32 37.515 7.453 -4.291 242 HA TYR 32 HA TYR 32 36.154 8.856 -6.328 243 HB2 TYR 32 HB2 TYR 32 38.139 9.764 -5.291 244 HB3 TYR 32 HB1 TYR 32 39.110 8.411 -5.867 245 HD1 TYR 32 HD2 TYR 32 36.782 11.043 -7.194 246 HD2 TYR 32 HD1 TYR 32 40.320 8.687 -7.849 247 HE1 TYR 32 HE2 TYR 32 37.204 12.263 -9.314 248 HE2 TYR 32 HE1 TYR 32 40.737 9.904 -9.967 249 HH TYR 32 HH TYR 32 38.997 11.259 -11.682 250 H LEU 33 HN LEU 33 38.462 6.143 -6.549 251 HA LEU 33 HA LEU 33 38.386 5.888 -9.359 252 HB2 LEU 33 HB2 LEU 33 38.988 3.913 -7.155 253 HB3 LEU 33 HB1 LEU 33 39.155 3.510 -8.859 254 HG LEU 33 HG LEU 33 40.511 5.888 -7.561 255 HD11 LEU 33 HD11 LEU 33 41.286 3.016 -7.728 256 HD12 LEU 33 HD12 LEU 33 41.679 4.219 -6.500 257 HD13 LEU 33 HD13 LEU 33 42.551 4.210 -8.032 258 HD21 LEU 33 HD21 LEU 33 42.002 5.143 -9.740 259 HD22 LEU 33 HD22 LEU 33 40.767 6.401 -9.767 260 HD23 LEU 33 HD23 LEU 33 40.375 4.767 -10.299 261 H SER 34 HN SER 34 36.445 4.349 -6.798 262 HA SER 34 HA SER 34 34.966 2.594 -8.412 263 HB2 SER 34 HB2 SER 34 34.992 2.488 -5.956 264 HB3 SER 34 HB1 SER 34 34.140 4.029 -5.879 265 HG SER 34 HG SER 34 33.220 1.616 -7.065 266 H GLY 35 HN GLY 35 34.503 5.979 -7.584 267 HA2 GLY 35 HA2 GLY 35 31.929 6.274 -8.766 268 HA3 GLY 35 HA1 GLY 35 33.020 7.578 -8.313 269 H LEU 36 HN LEU 36 35.233 6.696 -9.936 270 HA LEU 36 HA LEU 36 34.652 8.049 -12.314 271 HB2 LEU 36 HB2 LEU 36 36.909 6.294 -11.435 272 HB3 LEU 36 HB1 LEU 36 36.833 6.860 -13.101 273 HG LEU 36 HG LEU 36 36.627 8.710 -10.711 274 HD11 LEU 36 HD11 LEU 36 39.063 9.254 -11.667 275 HD12 LEU 36 HD12 LEU 36 38.989 7.552 -12.127 276 HD13 LEU 36 HD13 LEU 36 38.811 8.017 -10.433 277 HD21 LEU 36 HD21 LEU 36 36.122 10.230 -12.302 278 HD22 LEU 36 HD22 LEU 36 36.345 9.040 -13.579 279 HD23 LEU 36 HD23 LEU 36 37.721 9.970 -12.995 280 H HIS 37 HN HIS 37 34.647 4.615 -11.538 281 HA HIS 37 HA HIS 37 34.234 3.736 -14.246 282 HB2 HIS 37 HB2 HIS 37 33.972 2.403 -11.548 283 HB3 HIS 37 HB1 HIS 37 33.569 1.576 -13.051 284 HD2 HIS 37 HD2 HIS 37 35.763 0.616 -14.469 285 HE1 HIS 37 HE1 HIS 37 38.770 2.393 -12.099 286 HE2 HIS 37 HE2 HIS 37 38.330 0.786 -14.016 287 H SER 38 HN SER 38 32.250 4.621 -11.517 288 HA SER 38 HA SER 38 29.773 3.569 -12.394 289 HB2 SER 38 HB2 SER 38 30.360 5.966 -10.645 290 HB3 SER 38 HB1 SER 38 28.767 5.248 -10.859 291 HG SER 38 HG SER 38 31.093 3.917 -9.908 292 H TRP 39 HN TRP 39 31.289 6.793 -12.886 293 HA TRP 39 HA TRP 39 29.087 7.824 -14.349 294 HB2 TRP 39 HB2 TRP 39 30.737 9.287 -13.285 295 HB3 TRP 39 HB1 TRP 39 31.990 8.667 -14.357 296 HD1 TRP 39 HD1 TRP 39 32.321 9.935 -16.532 297 HE1 TRP 39 HE1 TRP 39 30.957 11.639 -17.902 298 HE3 TRP 39 HE3 TRP 39 27.999 9.987 -13.814 299 HZ2 TRP 39 HZ2 TRP 39 28.371 12.865 -17.848 300 HZ3 TRP 39 HZ3 TRP 39 26.103 11.429 -14.496 301 HH2 TRP 39 HH2 TRP 39 26.284 12.865 -16.507 302 H LYS 40 HN LYS 40 32.007 6.059 -15.259 303 HA LYS 40 HA LYS 40 31.485 6.391 -18.098 304 HB2 LYS 40 HB2 LYS 40 33.545 4.773 -16.583 305 HB3 LYS 40 HB1 LYS 40 33.446 4.842 -18.346 306 HG2 LYS 40 HG2 LYS 40 33.694 7.292 -18.270 307 HG3 LYS 40 HG1 LYS 40 33.788 7.232 -16.514 308 HD2 LYS 40 HD2 LYS 40 35.821 5.825 -16.682 309 HD3 LYS 40 HD1 LYS 40 35.740 5.946 -18.442 310 HE2 LYS 40 HE2 LYS 40 35.927 8.329 -16.584 311 HE3 LYS 40 HE1 LYS 40 37.305 7.613 -17.420 312 HZ1 LYS 40 HZ1 LYS 40 36.480 8.226 -19.479 313 HZ2 LYS 40 HZ2 LYS 40 36.117 9.575 -18.512 314 HZ3 LYS 40 HZ3 LYS 40 34.901 8.457 -18.904 315 H LYS 41 HN LYS 41 30.724 4.861 -19.510 316 HA LYS 41 HA LYS 41 29.151 2.709 -18.316 317 HB2 LYS 41 HB2 LYS 41 29.321 3.756 -21.155 318 HB3 LYS 41 HB1 LYS 41 28.248 2.456 -20.632 319 HG2 LYS 41 HG2 LYS 41 27.189 3.981 -19.004 320 HG3 LYS 41 HG1 LYS 41 28.259 5.279 -19.523 321 HD2 LYS 41 HD2 LYS 41 27.320 5.169 -21.795 322 HD3 LYS 41 HD1 LYS 41 26.254 3.851 -21.295 323 HE2 LYS 41 HE2 LYS 41 25.213 5.332 -19.612 324 HE3 LYS 41 HE1 LYS 41 26.272 6.649 -20.112 325 HZ1 LYS 41 HZ1 LYS 41 25.143 5.790 -22.434 326 HZ2 LYS 41 HZ2 LYS 41 24.675 7.158 -21.544 327 HZ3 LYS 41 HZ3 LYS 41 23.866 5.681 -21.323 328 H LYS 42 HN LYS 42 29.239 0.532 -19.103 329 HA LYS 42 HA LYS 42 31.854 -0.230 -20.268 330 HB2 LYS 42 HB2 LYS 42 30.299 -1.568 -18.047 331 HB3 LYS 42 HB1 LYS 42 31.688 -2.297 -18.857 332 HG2 LYS 42 HG2 LYS 42 33.088 -0.381 -18.205 333 HG3 LYS 42 HG1 LYS 42 31.705 0.363 -17.402 334 HD2 LYS 42 HD2 LYS 42 31.550 -1.583 -15.883 335 HD3 LYS 42 HD1 LYS 42 32.949 -2.305 -16.681 336 HE2 LYS 42 HE2 LYS 42 34.345 -0.400 -16.035 337 HE3 LYS 42 HE1 LYS 42 32.955 0.390 -15.287 338 HZ1 LYS 42 HZ1 LYS 42 32.957 -1.040 -13.543 339 HZ2 LYS 42 HZ2 LYS 42 34.619 -1.082 -13.906 340 HZ3 LYS 42 HZ3 LYS 42 33.597 -2.333 -14.438 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 22.876 -12.146 3.239 2 H2 MET 1 HT2 MET 1 24.048 -12.497 2.059 3 H3 MET 1 HT3 MET 1 23.986 -10.954 2.768 4 HA MET 1 HA MET 1 24.355 -12.229 4.969 5 HB2 MET 1 HB2 MET 1 25.470 -14.112 2.860 6 HB3 MET 1 HB1 MET 1 25.755 -14.254 4.593 7 HG2 MET 1 HG2 MET 1 23.047 -14.387 3.228 8 HG3 MET 1 HG1 MET 1 23.936 -15.765 3.866 9 HE1 MET 1 HE1 MET 1 24.854 -15.911 5.988 10 HE2 MET 1 HE2 MET 1 23.711 -15.952 7.327 11 HE3 MET 1 HE3 MET 1 24.829 -14.600 7.174 12 H ALA 2 HN ALA 2 25.467 -10.320 5.252 13 HA ALA 2 HA ALA 2 27.621 -9.464 3.583 14 HB1 ALA 2 HB1 ALA 2 27.678 -7.591 4.891 15 HB2 ALA 2 HB2 ALA 2 27.439 -8.495 6.387 16 HB3 ALA 2 HB3 ALA 2 26.069 -8.168 5.326 17 H GLU 3 HN GLU 3 29.823 -9.404 3.993 18 HA GLU 3 HA GLU 3 30.789 -11.390 5.960 19 HB2 GLU 3 HB2 GLU 3 31.910 -10.562 3.277 20 HB3 GLU 3 HB1 GLU 3 32.776 -11.581 4.427 21 HG2 GLU 3 HG2 GLU 3 30.929 -13.219 4.370 22 HG3 GLU 3 HG1 GLU 3 30.064 -12.201 3.219 23 H ALA 4 HN ALA 4 31.889 -10.589 7.611 24 HA ALA 4 HA ALA 4 32.650 -7.833 7.758 25 HB1 ALA 4 HB1 ALA 4 33.213 -10.183 9.580 26 HB2 ALA 4 HB2 ALA 4 31.948 -8.969 9.771 27 HB3 ALA 4 HB3 ALA 4 33.642 -8.515 9.955 28 H HIS 5 HN HIS 5 34.720 -6.942 7.890 29 HA HIS 5 HA HIS 5 36.926 -8.639 6.874 30 HB2 HIS 5 HB2 HIS 5 36.324 -5.746 6.218 31 HB3 HIS 5 HB1 HIS 5 37.786 -6.602 5.733 32 HD2 HIS 5 HD2 HIS 5 34.209 -6.079 4.473 33 HE1 HIS 5 HE1 HIS 5 35.734 -9.369 2.312 34 HE2 HIS 5 HE2 HIS 5 33.829 -7.697 2.461 35 H GLN 6 HN GLN 6 38.896 -8.414 7.879 36 HA GLN 6 HA GLN 6 38.933 -7.354 10.503 37 HB2 GLN 6 HB2 GLN 6 41.187 -8.231 8.684 38 HB3 GLN 6 HB1 GLN 6 41.404 -7.781 10.376 39 HG2 GLN 6 HG2 GLN 6 39.820 -9.534 11.058 40 HG3 GLN 6 HG1 GLN 6 39.580 -9.983 9.371 41 HE21 GLN 6 HE21 GLN 6 40.656 -11.955 9.096 42 HE22 GLN 6 HE22 GLN 6 42.237 -12.272 9.629 43 H ALA 7 HN ALA 7 40.100 -6.116 7.400 44 HA ALA 7 HA ALA 7 41.395 -3.816 8.496 45 HB1 ALA 7 HB1 ALA 7 40.763 -3.157 5.890 46 HB2 ALA 7 HB2 ALA 7 40.847 -4.918 5.845 47 HB3 ALA 7 HB3 ALA 7 42.230 -3.984 6.413 48 H VAL 8 HN VAL 8 40.697 -1.716 8.671 49 HA VAL 8 HA VAL 8 37.808 -1.221 8.251 50 HB VAL 8 HB VAL 8 39.574 -0.403 10.565 51 HG11 VAL 8 HG11 VAL 8 37.122 0.554 11.195 52 HG12 VAL 8 HG12 VAL 8 37.099 0.794 9.448 53 HG13 VAL 8 HG13 VAL 8 38.370 1.533 10.425 54 HG21 VAL 8 HG21 VAL 8 38.351 -1.877 11.820 55 HG22 VAL 8 HG22 VAL 8 38.089 -2.658 10.259 56 HG23 VAL 8 HG23 VAL 8 36.868 -1.569 10.918 57 H ALA 9 HN ALA 9 37.341 0.570 7.086 58 HA ALA 9 HA ALA 9 39.516 2.522 6.609 59 HB1 ALA 9 HB1 ALA 9 37.820 2.649 4.411 60 HB2 ALA 9 HB2 ALA 9 37.937 0.924 4.760 61 HB3 ALA 9 HB3 ALA 9 39.399 1.864 4.464 62 H PHE 10 HN PHE 10 36.331 1.966 7.666 63 HA PHE 10 HA PHE 10 35.867 4.853 7.831 64 HB2 PHE 10 HB2 PHE 10 33.338 4.028 7.409 65 HB3 PHE 10 HB1 PHE 10 34.384 4.626 6.137 66 HD1 PHE 10 HD1 PHE 10 34.820 1.240 7.732 67 HD2 PHE 10 HD2 PHE 10 33.375 3.465 4.348 68 HE1 PHE 10 HE1 PHE 10 34.607 -0.852 6.450 69 HE2 PHE 10 HE2 PHE 10 33.145 1.355 3.075 70 HZ PHE 10 HZ PHE 10 33.759 -0.802 4.124 71 H GLN 11 HN GLN 11 35.290 5.488 9.858 72 HA GLN 11 HA GLN 11 33.956 3.475 11.583 73 HB2 GLN 11 HB2 GLN 11 36.300 5.216 12.318 74 HB3 GLN 11 HB1 GLN 11 35.307 4.374 13.501 75 HG2 GLN 11 HG2 GLN 11 35.845 2.226 12.449 76 HG3 GLN 11 HG1 GLN 11 36.797 3.054 11.219 77 HE21 GLN 11 HE21 GLN 11 37.170 1.345 14.029 78 HE22 GLN 11 HE22 GLN 11 38.607 2.044 14.601 79 H PHE 12 HN PHE 12 32.273 4.129 12.745 80 HA PHE 12 HA PHE 12 31.769 7.030 12.960 81 HB2 PHE 12 HB2 PHE 12 30.184 6.348 11.397 82 HB3 PHE 12 HB1 PHE 12 29.984 4.766 12.131 83 HD1 PHE 12 HD1 PHE 12 29.899 7.971 14.071 84 HD2 PHE 12 HD2 PHE 12 27.608 4.810 12.279 85 HE1 PHE 12 HE1 PHE 12 27.888 8.721 15.307 86 HE2 PHE 12 HE2 PHE 12 25.597 5.578 13.501 87 HZ PHE 12 HZ PHE 12 25.733 7.534 15.014 88 H THR 13 HN THR 13 31.732 7.648 15.035 89 HA THR 13 HA THR 13 30.797 5.692 17.072 90 HB THR 13 HB THR 13 32.719 7.769 17.916 91 HG1 THR 13 HG1 THR 13 33.288 6.362 15.826 92 HG21 THR 13 HG21 THR 13 31.702 6.093 19.443 93 HG22 THR 13 HG22 THR 13 33.460 5.959 19.377 94 HG23 THR 13 HG23 THR 13 32.454 4.809 18.495 95 H VAL 14 HN VAL 14 29.255 6.338 18.396 96 HA VAL 14 HA VAL 14 28.365 9.130 18.234 97 HB VAL 14 HB VAL 14 26.667 7.404 17.816 98 HG11 VAL 14 HG11 VAL 14 28.007 5.960 19.733 99 HG12 VAL 14 HG12 VAL 14 26.398 5.570 19.124 100 HG13 VAL 14 HG13 VAL 14 26.576 6.494 20.615 101 HG21 VAL 14 HG21 VAL 14 25.724 8.241 20.453 102 HG22 VAL 14 HG22 VAL 14 25.125 8.692 18.857 103 HG23 VAL 14 HG23 VAL 14 26.482 9.566 19.570 104 H THR 15 HN THR 15 28.818 10.534 19.845 105 HA THR 15 HA THR 15 29.472 9.391 22.492 106 HB THR 15 HB THR 15 30.741 11.807 22.497 107 HG1 THR 15 HG1 THR 15 31.655 10.918 20.092 108 HG21 THR 15 HG21 THR 15 32.815 10.448 21.980 109 HG22 THR 15 HG22 THR 15 31.748 9.089 21.624 110 HG23 THR 15 HG23 THR 15 31.788 9.775 23.248 111 HA PRO 16 HA PRO 16 26.239 11.829 24.278 112 HB2 PRO 16 HB2 PRO 16 28.213 13.184 26.037 113 HB3 PRO 16 HB1 PRO 16 26.769 12.256 26.475 114 HG2 PRO 16 HG2 PRO 16 29.314 11.343 26.753 115 HG3 PRO 16 HG1 PRO 16 27.898 10.301 26.557 116 HD2 PRO 16 HD2 PRO 16 30.079 10.834 24.656 117 HD3 PRO 16 HD1 PRO 16 28.875 9.527 24.663 118 H ASP 17 HN ASP 17 29.321 13.482 23.506 119 HA ASP 17 HA ASP 17 28.130 16.083 23.323 120 HB2 ASP 17 HB2 ASP 17 30.816 14.986 22.495 121 HB3 ASP 17 HB1 ASP 17 30.354 16.671 22.260 122 H GLY 18 HN GLY 18 28.321 13.396 21.064 123 HA2 GLY 18 HA2 GLY 18 26.643 14.437 19.210 124 HA3 GLY 18 HA1 GLY 18 28.191 15.121 18.730 125 H ILE 19 HN ILE 19 28.673 14.008 16.888 126 HA ILE 19 HA ILE 19 28.981 11.098 17.118 127 HB ILE 19 HB ILE 19 28.211 10.945 14.757 128 HG12 ILE 19 HG12 ILE 19 27.284 13.794 15.196 129 HG13 ILE 19 HG11 ILE 19 28.649 13.332 14.182 130 HG21 ILE 19 HG21 ILE 19 25.784 12.071 15.781 131 HG22 ILE 19 HG22 ILE 19 26.647 11.291 17.107 132 HG23 ILE 19 HG23 ILE 19 26.234 10.371 15.660 133 HD11 ILE 19 HD11 ILE 19 25.849 13.339 13.524 134 HD12 ILE 19 HD12 ILE 19 26.481 11.699 13.384 135 HD13 ILE 19 HD13 ILE 19 27.228 13.013 12.477 136 H ASP 20 HN ASP 20 30.636 10.279 15.885 137 HA ASP 20 HA ASP 20 32.497 12.248 14.681 138 HB2 ASP 20 HB2 ASP 20 33.308 11.432 16.883 139 HB3 ASP 20 HB1 ASP 20 33.273 9.787 16.254 140 H LEU 21 HN LEU 21 33.391 11.684 12.723 141 HA LEU 21 HA LEU 21 32.836 8.963 11.722 142 HB2 LEU 21 HB2 LEU 21 32.434 11.571 10.212 143 HB3 LEU 21 HB1 LEU 21 32.286 9.963 9.514 144 HG LEU 21 HG LEU 21 30.617 10.952 11.843 145 HD11 LEU 21 HD11 LEU 21 30.412 11.480 8.982 146 HD12 LEU 21 HD12 LEU 21 29.505 12.186 10.319 147 HD13 LEU 21 HD13 LEU 21 28.974 10.665 9.602 148 HD21 LEU 21 HD21 LEU 21 29.151 9.004 10.812 149 HD22 LEU 21 HD22 LEU 21 30.469 8.634 11.916 150 HD23 LEU 21 HD23 LEU 21 30.701 8.446 10.183 151 H ARG 22 HN ARG 22 34.723 8.105 11.198 152 HA ARG 22 HA ARG 22 36.902 9.890 10.260 153 HB2 ARG 22 HB2 ARG 22 37.063 7.320 11.830 154 HB3 ARG 22 HB1 ARG 22 38.458 8.135 11.131 155 HG2 ARG 22 HG2 ARG 22 38.008 10.131 12.446 156 HG3 ARG 22 HG1 ARG 22 36.517 9.424 13.069 157 HD2 ARG 22 HD2 ARG 22 38.263 9.185 14.743 158 HD3 ARG 22 HD1 ARG 22 37.869 7.593 14.101 159 HE ARG 22 HE ARG 22 40.027 8.769 12.651 160 HH11 ARG 22 HH21 ARG 22 39.171 7.250 15.647 161 HH12 ARG 22 HH22 ARG 22 40.762 6.633 15.946 162 HH21 ARG 22 HH11 ARG 22 42.113 7.981 13.041 163 HH22 ARG 22 HH12 ARG 22 42.432 7.043 14.462 164 H LEU 23 HN LEU 23 37.924 9.459 8.379 165 HA LEU 23 HA LEU 23 37.304 6.906 7.062 166 HB2 LEU 23 HB2 LEU 23 37.138 9.675 5.824 167 HB3 LEU 23 HB1 LEU 23 36.972 8.158 4.945 168 HG LEU 23 HG LEU 23 35.177 8.999 7.248 169 HD11 LEU 23 HD11 LEU 23 34.865 10.525 5.376 170 HD12 LEU 23 HD12 LEU 23 33.492 9.420 5.454 171 HD13 LEU 23 HD13 LEU 23 34.757 9.172 4.250 172 HD21 LEU 23 HD21 LEU 23 35.488 6.568 5.625 173 HD22 LEU 23 HD22 LEU 23 33.837 7.185 5.646 174 HD23 LEU 23 HD23 LEU 23 34.651 6.794 7.161 175 H SER 24 HN SER 24 39.066 6.060 6.117 176 HA SER 24 HA SER 24 41.625 7.357 6.463 177 HB2 SER 24 HB2 SER 24 42.577 5.286 5.977 178 HB3 SER 24 HB1 SER 24 41.021 4.820 6.658 179 HG SER 24 HG SER 24 41.289 3.714 4.749 180 H HIS 25 HN HIS 25 43.160 7.779 4.795 181 HA HIS 25 HA HIS 25 42.151 9.147 2.538 182 HB2 HIS 25 HB2 HIS 25 44.942 8.071 3.074 183 HB3 HIS 25 HB1 HIS 25 44.527 9.142 1.736 184 HD2 HIS 25 HD2 HIS 25 45.533 9.434 5.423 185 HE1 HIS 25 HE1 HIS 25 43.868 13.169 4.363 186 HE2 HIS 25 HE2 HIS 25 45.175 11.919 6.147 187 H GLU 26 HN GLU 26 43.108 5.853 3.113 188 HA GLU 26 HA GLU 26 43.263 5.017 0.388 189 HB2 GLU 26 HB2 GLU 26 42.720 3.424 2.908 190 HB3 GLU 26 HB1 GLU 26 42.978 2.711 1.315 191 HG2 GLU 26 HG2 GLU 26 45.201 3.725 1.182 192 HG3 GLU 26 HG1 GLU 26 44.950 4.524 2.733 193 H ALA 27 HN ALA 27 40.658 5.221 2.755 194 HA ALA 27 HA ALA 27 38.677 3.835 1.302 195 HB1 ALA 27 HB1 ALA 27 37.222 4.544 2.934 196 HB2 ALA 27 HB2 ALA 27 37.888 6.177 2.971 197 HB3 ALA 27 HB3 ALA 27 38.740 4.858 3.775 198 H LEU 28 HN LEU 28 39.916 7.079 1.165 199 HA LEU 28 HA LEU 28 37.887 8.195 -0.527 200 HB2 LEU 28 HB2 LEU 28 40.729 9.070 0.010 201 HB3 LEU 28 HB1 LEU 28 39.573 10.002 -0.932 202 HG LEU 28 HG LEU 28 39.145 9.122 1.937 203 HD11 LEU 28 HD11 LEU 28 39.305 11.925 1.743 204 HD12 LEU 28 HD12 LEU 28 40.654 11.307 0.790 205 HD13 LEU 28 HD13 LEU 28 40.482 10.841 2.482 206 HD21 LEU 28 HD21 LEU 28 37.455 11.203 1.511 207 HD22 LEU 28 HD22 LEU 28 36.988 9.522 1.267 208 HD23 LEU 28 HD23 LEU 28 37.481 10.507 -0.108 209 H ARG 29 HN ARG 29 41.037 6.713 -1.095 210 HA ARG 29 HA ARG 29 41.209 7.251 -3.848 211 HB2 ARG 29 HB2 ARG 29 43.121 6.453 -2.492 212 HB3 ARG 29 HB1 ARG 29 42.340 4.881 -2.333 213 HG2 ARG 29 HG2 ARG 29 42.414 4.583 -4.779 214 HG3 ARG 29 HG1 ARG 29 43.174 6.167 -4.955 215 HD2 ARG 29 HD2 ARG 29 45.043 5.371 -3.491 216 HD3 ARG 29 HD1 ARG 29 44.304 3.776 -3.474 217 HE ARG 29 HE ARG 29 45.699 5.023 -5.716 218 HH11 ARG 29 HH21 ARG 29 43.654 2.501 -4.506 219 HH12 ARG 29 HH22 ARG 29 43.973 1.424 -5.821 220 HH21 ARG 29 HH11 ARG 29 46.109 3.603 -7.453 221 HH22 ARG 29 HH12 ARG 29 45.350 2.048 -7.487 222 H GLN 30 HN GLN 30 39.688 4.556 -2.117 223 HA GLN 30 HA GLN 30 39.093 3.063 -4.468 224 HB2 GLN 30 HB2 GLN 30 37.881 3.034 -1.700 225 HB3 GLN 30 HB1 GLN 30 37.462 1.885 -2.970 226 HG2 GLN 30 HG2 GLN 30 39.781 1.124 -3.099 227 HG3 GLN 30 HG1 GLN 30 40.269 2.330 -1.910 228 HE21 GLN 30 HE21 GLN 30 40.978 0.027 -0.919 229 HE22 GLN 30 HE22 GLN 30 39.841 -0.666 0.134 230 H ILE 31 HN ILE 31 37.294 5.397 -2.519 231 HA ILE 31 HA ILE 31 34.838 5.152 -3.847 232 HB ILE 31 HB ILE 31 36.071 7.477 -2.363 233 HG12 ILE 31 HG12 ILE 31 35.429 5.146 -1.276 234 HG13 ILE 31 HG11 ILE 31 35.026 6.655 -0.461 235 HG21 ILE 31 HG21 ILE 31 34.405 8.476 -3.707 236 HG22 ILE 31 HG22 ILE 31 33.591 8.162 -2.176 237 HG23 ILE 31 HG23 ILE 31 33.323 7.093 -3.553 238 HD11 ILE 31 HD11 ILE 31 33.166 4.852 -0.706 239 HD12 ILE 31 HD12 ILE 31 33.071 5.396 -2.378 240 HD13 ILE 31 HD13 ILE 31 32.762 6.530 -1.064 241 H TYR 32 HN TYR 32 37.527 7.478 -4.489 242 HA TYR 32 HA TYR 32 36.172 8.877 -6.533 243 HB2 TYR 32 HB2 TYR 32 38.184 9.784 -5.551 244 HB3 TYR 32 HB1 TYR 32 39.123 8.391 -6.086 245 HD1 TYR 32 HD1 TYR 32 36.870 11.052 -7.460 246 HD2 TYR 32 HD2 TYR 32 40.285 8.529 -8.111 247 HE1 TYR 32 HE1 TYR 32 37.296 12.187 -9.622 248 HE2 TYR 32 HE2 TYR 32 40.709 9.663 -10.275 249 HH TYR 32 HH TYR 32 39.781 12.422 -11.113 250 H LEU 33 HN LEU 33 38.460 6.144 -6.718 251 HA LEU 33 HA LEU 33 38.349 5.871 -9.523 252 HB2 LEU 33 HB2 LEU 33 38.996 3.899 -7.332 253 HB3 LEU 33 HB1 LEU 33 39.163 3.521 -9.044 254 HG LEU 33 HG LEU 33 40.508 5.878 -7.685 255 HD11 LEU 33 HD11 LEU 33 42.543 4.566 -7.695 256 HD12 LEU 33 HD12 LEU 33 41.732 3.236 -8.521 257 HD13 LEU 33 HD13 LEU 33 41.297 3.637 -6.860 258 HD21 LEU 33 HD21 LEU 33 40.782 6.507 -9.849 259 HD22 LEU 33 HD22 LEU 33 40.279 4.935 -10.465 260 HD23 LEU 33 HD23 LEU 33 41.943 5.184 -9.944 261 H SER 34 HN SER 34 36.450 4.256 -6.946 262 HA SER 34 HA SER 34 34.973 2.539 -8.625 263 HB2 SER 34 HB2 SER 34 34.065 3.850 -6.051 264 HB3 SER 34 HB1 SER 34 33.392 2.393 -6.778 265 HG SER 34 HG SER 34 35.338 2.509 -5.073 266 H GLY 35 HN GLY 35 34.582 5.881 -7.682 267 HA2 GLY 35 HA2 GLY 35 32.005 6.264 -8.856 268 HA3 GLY 35 HA1 GLY 35 33.122 7.534 -8.357 269 H LEU 36 HN LEU 36 35.337 6.691 -9.878 270 HA LEU 36 HA LEU 36 34.914 8.033 -12.296 271 HB2 LEU 36 HB2 LEU 36 37.125 7.809 -11.218 272 HB3 LEU 36 HB1 LEU 36 37.113 6.083 -11.562 273 HG LEU 36 HG LEU 36 37.042 6.549 -13.981 274 HD11 LEU 36 HD11 LEU 36 35.980 8.563 -14.369 275 HD12 LEU 36 HD12 LEU 36 37.656 9.102 -14.462 276 HD13 LEU 36 HD13 LEU 36 36.733 9.349 -12.980 277 HD21 LEU 36 HD21 LEU 36 39.214 6.694 -12.395 278 HD22 LEU 36 HD22 LEU 36 39.253 8.324 -13.064 279 HD23 LEU 36 HD23 LEU 36 39.303 6.929 -14.141 280 H HIS 37 HN HIS 37 34.849 4.610 -11.469 281 HA HIS 37 HA HIS 37 34.565 3.728 -14.201 282 HB2 HIS 37 HB2 HIS 37 34.162 2.322 -11.548 283 HB3 HIS 37 HB1 HIS 37 34.025 1.528 -13.117 284 HD2 HIS 37 HD2 HIS 37 36.496 1.028 -14.416 285 HE1 HIS 37 HE1 HIS 37 38.955 2.626 -11.377 286 HE2 HIS 37 HE2 HIS 37 38.945 1.319 -13.554 287 H SER 38 HN SER 38 32.520 4.820 -11.649 288 HA SER 38 HA SER 38 30.063 3.666 -12.536 289 HB2 SER 38 HB2 SER 38 30.345 6.207 -10.932 290 HB3 SER 38 HB1 SER 38 28.999 5.074 -10.939 291 HG SER 38 HG SER 38 31.576 4.809 -9.832 292 H TRP 39 HN TRP 39 32.008 5.842 -14.121 293 HA TRP 39 HA TRP 39 29.904 7.624 -15.018 294 HB2 TRP 39 HB2 TRP 39 32.829 7.388 -15.379 295 HB3 TRP 39 HB1 TRP 39 31.941 8.053 -16.748 296 HD1 TRP 39 HD1 TRP 39 32.352 8.649 -12.944 297 HE1 TRP 39 HE1 TRP 39 31.944 11.158 -12.490 298 HE3 TRP 39 HE3 TRP 39 31.013 10.181 -17.621 299 HZ2 TRP 39 HZ2 TRP 39 31.156 13.506 -13.931 300 HZ3 TRP 39 HZ3 TRP 39 30.442 12.551 -18.058 301 HH2 TRP 39 HH2 TRP 39 30.511 14.216 -16.221 302 H LYS 40 HN LYS 40 31.107 4.543 -15.851 303 HA LYS 40 HA LYS 40 29.803 4.670 -18.507 304 HB2 LYS 40 HB2 LYS 40 32.006 2.858 -17.511 305 HB3 LYS 40 HB1 LYS 40 31.227 2.709 -19.085 306 HG2 LYS 40 HG2 LYS 40 31.926 5.020 -19.642 307 HG3 LYS 40 HG1 LYS 40 32.745 5.140 -18.087 308 HD2 LYS 40 HD2 LYS 40 33.393 2.987 -20.119 309 HD3 LYS 40 HD1 LYS 40 34.231 4.537 -20.073 310 HE2 LYS 40 HE2 LYS 40 34.740 4.033 -17.616 311 HE3 LYS 40 HE1 LYS 40 34.181 2.392 -17.936 312 HZ1 LYS 40 HZ1 LYS 40 35.893 2.995 -19.994 313 HZ2 LYS 40 HZ2 LYS 40 36.199 1.964 -18.679 314 HZ3 LYS 40 HZ3 LYS 40 36.658 3.598 -18.606 315 H LYS 41 HN LYS 41 28.488 2.917 -19.136 316 HA LYS 41 HA LYS 41 27.219 1.545 -16.871 317 HB2 LYS 41 HB2 LYS 41 26.365 1.981 -19.739 318 HB3 LYS 41 HB1 LYS 41 25.461 0.988 -18.596 319 HG2 LYS 41 HG2 LYS 41 25.256 2.927 -17.078 320 HG3 LYS 41 HG1 LYS 41 26.140 3.922 -18.237 321 HD2 LYS 41 HD2 LYS 41 24.391 3.495 -19.932 322 HD3 LYS 41 HD1 LYS 41 23.503 2.522 -18.758 323 HE2 LYS 41 HE2 LYS 41 23.299 4.474 -17.276 324 HE3 LYS 41 HE1 LYS 41 24.198 5.453 -18.437 325 HZ1 LYS 41 HZ1 LYS 41 22.210 5.894 -19.307 326 HZ2 LYS 41 HZ2 LYS 41 21.452 4.613 -18.486 327 HZ3 LYS 41 HZ3 LYS 41 22.267 4.326 -19.950 328 H LYS 42 HN LYS 42 27.022 -0.672 -16.742 329 HA LYS 42 HA LYS 42 28.179 -2.319 -18.864 330 HB2 LYS 42 HB2 LYS 42 30.069 -1.794 -17.352 331 HB3 LYS 42 HB1 LYS 42 29.160 -2.474 -16.002 332 HG2 LYS 42 HG2 LYS 42 29.086 -4.655 -17.116 333 HG3 LYS 42 HG1 LYS 42 29.926 -3.989 -18.517 334 HD2 LYS 42 HD2 LYS 42 31.876 -3.459 -17.086 335 HD3 LYS 42 HD1 LYS 42 31.037 -4.154 -15.699 336 HE2 LYS 42 HE2 LYS 42 30.933 -6.336 -16.851 337 HE3 LYS 42 HE1 LYS 42 31.773 -5.642 -18.238 338 HZ1 LYS 42 HZ1 LYS 42 33.458 -6.620 -17.011 339 HZ2 LYS 42 HZ2 LYS 42 32.801 -6.145 -15.518 340 HZ3 LYS 42 HZ3 LYS 42 33.544 -4.998 -16.527 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 52.161 6.165 17.244 2 H2 MET 1 HT2 MET 1 51.655 4.623 17.748 3 H3 MET 1 HT3 MET 1 53.071 5.306 18.389 4 HA MET 1 HA MET 1 51.565 5.655 20.083 5 HB2 MET 1 HB2 MET 1 51.492 8.073 18.252 6 HB3 MET 1 HB1 MET 1 51.006 8.095 19.948 7 HG2 MET 1 HG2 MET 1 53.264 7.311 20.596 8 HG3 MET 1 HG1 MET 1 53.749 7.331 18.902 9 HE1 MET 1 HE1 MET 1 55.604 10.063 20.802 10 HE2 MET 1 HE2 MET 1 55.810 9.549 19.128 11 HE3 MET 1 HE3 MET 1 55.487 8.350 20.377 12 H ALA 2 HN ALA 2 50.229 5.623 16.923 13 HA ALA 2 HA ALA 2 47.546 6.319 17.461 14 HB1 ALA 2 HB1 ALA 2 48.868 4.627 15.345 15 HB2 ALA 2 HB2 ALA 2 48.174 6.240 15.184 16 HB3 ALA 2 HB3 ALA 2 47.118 4.842 15.396 17 H GLU 3 HN GLU 3 49.340 3.311 17.750 18 HA GLU 3 HA GLU 3 48.704 1.190 18.408 19 HB2 GLU 3 HB2 GLU 3 48.997 2.430 20.533 20 HB3 GLU 3 HB1 GLU 3 47.279 2.832 20.513 21 HG2 GLU 3 HG2 GLU 3 46.684 0.464 20.582 22 HG3 GLU 3 HG1 GLU 3 48.385 0.010 20.483 23 H ALA 4 HN ALA 4 47.408 0.277 16.896 24 HA ALA 4 HA ALA 4 44.563 0.158 17.506 25 HB1 ALA 4 HB1 ALA 4 44.120 1.797 16.002 26 HB2 ALA 4 HB2 ALA 4 44.372 0.514 14.818 27 HB3 ALA 4 HB3 ALA 4 45.684 1.627 15.205 28 H HIS 5 HN HIS 5 43.478 -1.594 16.383 29 HA HIS 5 HA HIS 5 45.374 -3.704 15.566 30 HB2 HIS 5 HB2 HIS 5 42.510 -3.902 16.536 31 HB3 HIS 5 HB1 HIS 5 43.510 -5.269 16.049 32 HD2 HIS 5 HD2 HIS 5 42.960 -3.008 19.143 33 HE1 HIS 5 HE1 HIS 5 46.265 -5.493 19.993 34 HE2 HIS 5 HE2 HIS 5 44.615 -3.841 20.987 35 H GLN 6 HN GLN 6 45.391 -4.421 13.525 36 HA GLN 6 HA GLN 6 44.887 -4.622 11.293 37 HB2 GLN 6 HB2 GLN 6 42.074 -4.559 12.424 38 HB3 GLN 6 HB1 GLN 6 42.470 -4.985 10.761 39 HG2 GLN 6 HG2 GLN 6 43.786 -6.879 11.487 40 HG3 GLN 6 HG1 GLN 6 43.622 -6.402 13.176 41 HE21 GLN 6 HE21 GLN 6 42.379 -8.560 10.963 42 HE22 GLN 6 HE22 GLN 6 40.836 -8.784 11.639 43 H ALA 7 HN ALA 7 42.674 -3.489 9.834 44 HA ALA 7 HA ALA 7 42.969 -0.598 10.286 45 HB1 ALA 7 HB1 ALA 7 44.593 -0.661 8.672 46 HB2 ALA 7 HB2 ALA 7 43.178 -0.581 7.623 47 HB3 ALA 7 HB3 ALA 7 43.955 -2.132 7.935 48 H VAL 8 HN VAL 8 41.248 0.637 9.604 49 HA VAL 8 HA VAL 8 39.005 -0.796 8.322 50 HB VAL 8 HB VAL 8 38.903 1.072 10.691 51 HG11 VAL 8 HG11 VAL 8 36.817 0.255 8.684 52 HG12 VAL 8 HG12 VAL 8 37.103 1.841 9.401 53 HG13 VAL 8 HG13 VAL 8 36.351 0.563 10.358 54 HG21 VAL 8 HG21 VAL 8 39.234 -1.571 10.729 55 HG22 VAL 8 HG22 VAL 8 37.493 -1.559 10.443 56 HG23 VAL 8 HG23 VAL 8 38.156 -0.779 11.878 57 H ALA 9 HN ALA 9 38.015 0.230 6.711 58 HA ALA 9 HA ALA 9 39.223 2.545 5.557 59 HB1 ALA 9 HB1 ALA 9 38.080 1.910 3.722 60 HB2 ALA 9 HB2 ALA 9 36.546 1.872 4.594 61 HB3 ALA 9 HB3 ALA 9 37.630 0.482 4.654 62 H PHE 10 HN PHE 10 36.196 1.939 7.331 63 HA PHE 10 HA PHE 10 36.040 4.824 7.806 64 HB2 PHE 10 HB2 PHE 10 33.428 4.429 7.523 65 HB3 PHE 10 HB1 PHE 10 34.459 4.919 6.189 66 HD1 PHE 10 HD1 PHE 10 34.524 1.443 7.567 67 HD2 PHE 10 HD2 PHE 10 33.041 4.029 4.473 68 HE1 PHE 10 HE1 PHE 10 33.824 -0.525 6.266 69 HE2 PHE 10 HE2 PHE 10 32.339 2.044 3.168 70 HZ PHE 10 HZ PHE 10 32.728 -0.232 4.063 71 H GLN 11 HN GLN 11 35.402 5.459 9.769 72 HA GLN 11 HA GLN 11 34.253 3.426 11.594 73 HB2 GLN 11 HB2 GLN 11 36.676 5.131 11.948 74 HB3 GLN 11 HB1 GLN 11 35.655 4.864 13.359 75 HG2 GLN 11 HG2 GLN 11 36.736 2.637 11.608 76 HG3 GLN 11 HG1 GLN 11 37.506 3.175 13.098 77 HE21 GLN 11 HE21 GLN 11 35.667 0.708 12.066 78 HE22 GLN 11 HE22 GLN 11 34.704 0.433 13.436 79 H PHE 12 HN PHE 12 32.455 4.047 12.633 80 HA PHE 12 HA PHE 12 31.852 6.942 12.739 81 HB2 PHE 12 HB2 PHE 12 30.384 6.121 11.125 82 HB3 PHE 12 HB1 PHE 12 30.196 4.573 11.929 83 HD1 PHE 12 HD1 PHE 12 29.932 7.842 13.698 84 HD2 PHE 12 HD2 PHE 12 27.798 4.559 11.933 85 HE1 PHE 12 HE1 PHE 12 27.856 8.591 14.809 86 HE2 PHE 12 HE2 PHE 12 25.714 5.332 13.031 87 HZ PHE 12 HZ PHE 12 25.745 7.349 14.468 88 H THR 13 HN THR 13 31.691 7.634 14.816 89 HA THR 13 HA THR 13 30.739 5.706 16.862 90 HB THR 13 HB THR 13 32.634 7.785 17.739 91 HG1 THR 13 HG1 THR 13 34.118 5.774 17.008 92 HG21 THR 13 HG21 THR 13 32.721 4.834 18.297 93 HG22 THR 13 HG22 THR 13 31.496 5.844 19.062 94 HG23 THR 13 HG23 THR 13 33.207 6.172 19.337 95 H VAL 14 HN VAL 14 29.236 6.348 18.195 96 HA VAL 14 HA VAL 14 28.267 9.110 18.009 97 HB VAL 14 HB VAL 14 27.051 6.570 19.123 98 HG11 VAL 14 HG11 VAL 14 26.289 9.434 19.408 99 HG12 VAL 14 HG12 VAL 14 25.989 8.075 20.492 100 HG13 VAL 14 HG13 VAL 14 24.987 8.297 19.058 101 HG21 VAL 14 HG21 VAL 14 25.476 6.833 17.262 102 HG22 VAL 14 HG22 VAL 14 27.128 6.785 16.647 103 HG23 VAL 14 HG23 VAL 14 26.277 8.324 16.770 104 H THR 15 HN THR 15 28.738 10.546 19.630 105 HA THR 15 HA THR 15 29.379 9.406 22.281 106 HB THR 15 HB THR 15 31.441 10.270 22.081 107 HG1 THR 15 HG1 THR 15 29.873 12.608 22.048 108 HG21 THR 15 HG21 THR 15 32.063 11.693 20.105 109 HG22 THR 15 HG22 THR 15 30.369 11.660 19.613 110 HG23 THR 15 HG23 THR 15 31.299 10.163 19.669 111 HA PRO 16 HA PRO 16 26.220 11.919 24.043 112 HB2 PRO 16 HB2 PRO 16 28.240 13.298 25.736 113 HB3 PRO 16 HB1 PRO 16 26.774 12.431 26.215 114 HG2 PRO 16 HG2 PRO 16 29.277 11.439 26.512 115 HG3 PRO 16 HG1 PRO 16 27.833 10.437 26.325 116 HD2 PRO 16 HD2 PRO 16 30.037 10.879 24.423 117 HD3 PRO 16 HD1 PRO 16 28.803 9.602 24.452 118 H ASP 17 HN ASP 17 29.271 13.595 23.170 119 HA ASP 17 HA ASP 17 27.980 16.152 23.006 120 HB2 ASP 17 HB2 ASP 17 30.691 15.177 22.104 121 HB3 ASP 17 HB1 ASP 17 30.153 16.851 21.966 122 H GLY 18 HN GLY 18 28.179 13.450 20.780 123 HA2 GLY 18 HA2 GLY 18 26.475 14.423 18.912 124 HA3 GLY 18 HA1 GLY 18 28.008 15.130 18.414 125 H ILE 19 HN ILE 19 28.543 13.985 16.605 126 HA ILE 19 HA ILE 19 28.895 11.085 16.906 127 HB ILE 19 HB ILE 19 28.194 10.847 14.542 128 HG12 ILE 19 HG12 ILE 19 27.182 13.688 14.786 129 HG13 ILE 19 HG11 ILE 19 28.640 13.242 13.901 130 HG21 ILE 19 HG21 ILE 19 25.904 10.730 15.002 131 HG22 ILE 19 HG22 ILE 19 25.933 12.194 15.986 132 HG23 ILE 19 HG23 ILE 19 26.614 10.694 16.616 133 HD11 ILE 19 HD11 ILE 19 26.453 11.520 13.125 134 HD12 ILE 19 HD12 ILE 19 27.431 12.592 12.122 135 HD13 ILE 19 HD13 ILE 19 25.993 13.212 12.933 136 H ASP 20 HN ASP 20 30.554 10.247 15.662 137 HA ASP 20 HA ASP 20 32.443 12.185 14.469 138 HB2 ASP 20 HB2 ASP 20 33.182 11.461 16.749 139 HB3 ASP 20 HB1 ASP 20 33.243 9.806 16.148 140 H LEU 21 HN LEU 21 33.394 11.551 12.573 141 HA LEU 21 HA LEU 21 33.011 8.774 11.717 142 HB2 LEU 21 HB2 LEU 21 32.359 11.199 10.020 143 HB3 LEU 21 HB1 LEU 21 32.258 9.512 9.509 144 HG LEU 21 HG LEU 21 30.735 9.390 11.738 145 HD11 LEU 21 HD11 LEU 21 30.028 12.088 10.585 146 HD12 LEU 21 HD12 LEU 21 31.111 11.935 11.965 147 HD13 LEU 21 HD13 LEU 21 29.450 11.352 12.079 148 HD21 LEU 21 HD21 LEU 21 29.995 10.144 8.907 149 HD22 LEU 21 HD22 LEU 21 28.765 9.838 10.134 150 HD23 LEU 21 HD23 LEU 21 29.895 8.562 9.679 151 H ARG 22 HN ARG 22 34.896 7.997 11.149 152 HA ARG 22 HA ARG 22 36.980 9.834 10.100 153 HB2 ARG 22 HB2 ARG 22 37.504 8.970 12.353 154 HB3 ARG 22 HB1 ARG 22 37.408 7.325 11.728 155 HG2 ARG 22 HG2 ARG 22 39.253 7.769 10.179 156 HG3 ARG 22 HG1 ARG 22 39.320 9.449 10.713 157 HD2 ARG 22 HD2 ARG 22 39.744 7.061 12.534 158 HD3 ARG 22 HD1 ARG 22 41.046 7.995 11.805 159 HE ARG 22 HE ARG 22 39.405 9.819 13.133 160 HH11 ARG 22 HH21 ARG 22 41.375 7.065 13.842 161 HH12 ARG 22 HH22 ARG 22 41.745 7.571 15.458 162 HH21 ARG 22 HH11 ARG 22 39.888 10.488 15.255 163 HH22 ARG 22 HH12 ARG 22 40.909 9.508 16.254 164 H LEU 23 HN LEU 23 38.021 9.351 8.253 165 HA LEU 23 HA LEU 23 37.623 6.670 7.117 166 HB2 LEU 23 HB2 LEU 23 37.623 8.991 5.243 167 HB3 LEU 23 HB1 LEU 23 36.870 7.416 5.072 168 HG LEU 23 HG LEU 23 35.158 9.124 5.252 169 HD11 LEU 23 HD11 LEU 23 33.893 7.694 6.396 170 HD12 LEU 23 HD12 LEU 23 34.624 8.210 7.910 171 HD13 LEU 23 HD13 LEU 23 35.347 6.899 6.983 172 HD21 LEU 23 HD21 LEU 23 36.931 10.402 6.972 173 HD22 LEU 23 HD22 LEU 23 35.604 9.909 8.024 174 HD23 LEU 23 HD23 LEU 23 35.284 10.907 6.610 175 H SER 24 HN SER 24 39.452 5.868 6.301 176 HA SER 24 HA SER 24 41.903 7.354 6.557 177 HB2 SER 24 HB2 SER 24 42.999 5.349 6.151 178 HB3 SER 24 HB1 SER 24 41.470 4.780 6.813 179 HG SER 24 HG SER 24 41.432 3.701 4.994 180 H HIS 25 HN HIS 25 43.360 7.890 4.907 181 HA HIS 25 HA HIS 25 42.313 9.163 2.645 182 HB2 HIS 25 HB2 HIS 25 45.096 8.163 3.281 183 HB3 HIS 25 HB1 HIS 25 44.727 9.094 1.828 184 HD2 HIS 25 HD2 HIS 25 45.013 11.790 2.275 185 HE1 HIS 25 HE1 HIS 25 44.326 11.801 6.441 186 HE2 HIS 25 HE2 HIS 25 44.912 13.249 4.436 187 H GLU 26 HN GLU 26 43.293 5.913 3.216 188 HA GLU 26 HA GLU 26 43.487 5.042 0.506 189 HB2 GLU 26 HB2 GLU 26 44.449 3.813 2.465 190 HB3 GLU 26 HB1 GLU 26 42.809 3.388 2.950 191 HG2 GLU 26 HG2 GLU 26 42.445 2.210 0.849 192 HG3 GLU 26 HG1 GLU 26 44.026 2.720 0.256 193 H ALA 27 HN ALA 27 40.900 5.209 2.881 194 HA ALA 27 HA ALA 27 38.912 3.784 1.490 195 HB1 ALA 27 HB1 ALA 27 38.071 6.126 3.102 196 HB2 ALA 27 HB2 ALA 27 39.049 4.918 3.936 197 HB3 ALA 27 HB3 ALA 27 37.529 4.449 3.177 198 H LEU 28 HN LEU 28 40.066 7.048 1.293 199 HA LEU 28 HA LEU 28 37.972 8.092 -0.352 200 HB2 LEU 28 HB2 LEU 28 40.792 9.040 0.166 201 HB3 LEU 28 HB1 LEU 28 39.657 9.919 -0.852 202 HG LEU 28 HG LEU 28 39.103 9.141 2.028 203 HD11 LEU 28 HD11 LEU 28 39.318 11.909 1.862 204 HD12 LEU 28 HD12 LEU 28 40.657 11.325 0.875 205 HD13 LEU 28 HD13 LEU 28 40.513 10.815 2.558 206 HD21 LEU 28 HD21 LEU 28 36.986 9.664 1.394 207 HD22 LEU 28 HD22 LEU 28 37.521 10.362 -0.133 208 HD23 LEU 28 HD23 LEU 28 37.548 11.333 1.335 209 H ARG 29 HN ARG 29 41.111 6.650 -0.986 210 HA ARG 29 HA ARG 29 41.270 7.149 -3.737 211 HB2 ARG 29 HB2 ARG 29 43.147 6.319 -2.352 212 HB3 ARG 29 HB1 ARG 29 42.330 4.767 -2.196 213 HG2 ARG 29 HG2 ARG 29 42.422 4.473 -4.653 214 HG3 ARG 29 HG1 ARG 29 43.254 6.025 -4.797 215 HD2 ARG 29 HD2 ARG 29 45.056 5.156 -3.311 216 HD3 ARG 29 HD1 ARG 29 44.253 3.594 -3.285 217 HE ARG 29 HE ARG 29 45.676 4.788 -5.561 218 HH11 ARG 29 HH21 ARG 29 43.750 2.205 -4.245 219 HH12 ARG 29 HH22 ARG 29 44.202 1.074 -5.473 220 HH21 ARG 29 HH11 ARG 29 46.252 3.294 -7.162 221 HH22 ARG 29 HH12 ARG 29 45.613 1.685 -7.116 222 H GLN 30 HN GLN 30 39.755 4.432 -1.997 223 HA GLN 30 HA GLN 30 39.058 3.020 -4.382 224 HB2 GLN 30 HB2 GLN 30 38.818 2.601 -1.569 225 HB3 GLN 30 HB1 GLN 30 37.217 2.410 -2.286 226 HG2 GLN 30 HG2 GLN 30 38.359 0.263 -2.339 227 HG3 GLN 30 HG1 GLN 30 38.206 0.868 -3.986 228 HE21 GLN 30 HE21 GLN 30 40.104 0.281 -5.069 229 HE22 GLN 30 HE22 GLN 30 41.670 0.478 -4.446 230 H ILE 31 HN ILE 31 37.369 5.314 -2.284 231 HA ILE 31 HA ILE 31 34.865 5.140 -3.548 232 HB ILE 31 HB ILE 31 36.137 7.362 -1.956 233 HG12 ILE 31 HG12 ILE 31 33.899 5.449 -1.239 234 HG13 ILE 31 HG11 ILE 31 35.592 5.117 -0.878 235 HG21 ILE 31 HG21 ILE 31 34.515 8.597 -3.025 236 HG22 ILE 31 HG22 ILE 31 33.511 7.880 -1.768 237 HG23 ILE 31 HG23 ILE 31 33.528 7.183 -3.388 238 HD11 ILE 31 HD11 ILE 31 34.649 6.129 1.091 239 HD12 ILE 31 HD12 ILE 31 33.909 7.419 0.142 240 HD13 ILE 31 HD13 ILE 31 35.662 7.353 0.326 241 H TYR 32 HN TYR 32 37.559 7.452 -4.201 242 HA TYR 32 HA TYR 32 36.136 8.985 -6.098 243 HB2 TYR 32 HB2 TYR 32 38.233 9.761 -5.123 244 HB3 TYR 32 HB1 TYR 32 39.105 8.423 -5.868 245 HD1 TYR 32 HD1 TYR 32 37.011 11.409 -6.651 246 HD2 TYR 32 HD2 TYR 32 39.928 8.598 -8.086 247 HE1 TYR 32 HE1 TYR 32 37.296 12.758 -8.711 248 HE2 TYR 32 HE2 TYR 32 40.210 9.949 -10.151 249 HH TYR 32 HH TYR 32 39.847 12.446 -10.773 250 H LEU 33 HN LEU 33 38.357 6.244 -6.527 251 HA LEU 33 HA LEU 33 38.138 6.104 -9.334 252 HB2 LEU 33 HB2 LEU 33 38.939 4.147 -7.196 253 HB3 LEU 33 HB1 LEU 33 38.880 3.666 -8.889 254 HG LEU 33 HG LEU 33 40.405 6.093 -7.900 255 HD11 LEU 33 HD11 LEU 33 42.425 4.724 -8.021 256 HD12 LEU 33 HD12 LEU 33 41.470 3.321 -8.501 257 HD13 LEU 33 HD13 LEU 33 41.281 4.003 -6.886 258 HD21 LEU 33 HD21 LEU 33 39.847 4.919 -10.524 259 HD22 LEU 33 HD22 LEU 33 41.575 5.077 -10.221 260 HD23 LEU 33 HD23 LEU 33 40.530 6.493 -10.122 261 H SER 34 HN SER 34 36.293 4.446 -6.753 262 HA SER 34 HA SER 34 34.786 2.743 -8.394 263 HB2 SER 34 HB2 SER 34 34.125 4.045 -5.748 264 HB3 SER 34 HB1 SER 34 33.087 2.852 -6.521 265 HG SER 34 HG SER 34 34.573 1.908 -5.043 266 H GLY 35 HN GLY 35 34.351 6.116 -7.522 267 HA2 GLY 35 HA2 GLY 35 31.770 6.425 -8.711 268 HA3 GLY 35 HA1 GLY 35 32.866 7.725 -8.250 269 H LEU 36 HN LEU 36 35.087 6.887 -9.760 270 HA LEU 36 HA LEU 36 34.627 8.155 -12.212 271 HB2 LEU 36 HB2 LEU 36 36.842 7.962 -11.059 272 HB3 LEU 36 HB1 LEU 36 36.880 6.261 -11.509 273 HG LEU 36 HG LEU 36 36.761 6.895 -13.904 274 HD11 LEU 36 HD11 LEU 36 37.438 9.496 -14.130 275 HD12 LEU 36 HD12 LEU 36 36.430 9.591 -12.684 276 HD13 LEU 36 HD13 LEU 36 35.764 8.944 -14.182 277 HD21 LEU 36 HD21 LEU 36 39.043 7.859 -14.046 278 HD22 LEU 36 HD22 LEU 36 38.957 6.580 -12.836 279 HD23 LEU 36 HD23 LEU 36 38.964 8.270 -12.333 280 H HIS 37 HN HIS 37 34.675 4.745 -11.317 281 HA HIS 37 HA HIS 37 34.464 3.780 -14.021 282 HB2 HIS 37 HB2 HIS 37 34.072 2.437 -11.338 283 HB3 HIS 37 HB1 HIS 37 33.999 1.593 -12.888 284 HD2 HIS 37 HD2 HIS 37 36.649 2.461 -10.323 285 HE1 HIS 37 HE1 HIS 37 38.746 2.046 -13.963 286 HE2 HIS 37 HE2 HIS 37 38.998 2.259 -11.447 287 H SER 38 HN SER 38 32.265 4.642 -11.453 288 HA SER 38 HA SER 38 29.919 3.399 -12.456 289 HB2 SER 38 HB2 SER 38 30.117 5.947 -10.836 290 HB3 SER 38 HB1 SER 38 28.696 4.921 -11.010 291 HG SER 38 HG SER 38 30.761 4.687 -9.320 292 H TRP 39 HN TRP 39 31.320 6.667 -12.993 293 HA TRP 39 HA TRP 39 29.177 7.548 -14.643 294 HB2 TRP 39 HB2 TRP 39 32.031 8.469 -14.292 295 HB3 TRP 39 HB1 TRP 39 30.914 9.255 -15.407 296 HD1 TRP 39 HD1 TRP 39 32.055 9.456 -11.957 297 HE1 TRP 39 HE1 TRP 39 30.413 10.806 -10.499 298 HE3 TRP 39 HE3 TRP 39 28.008 9.588 -15.073 299 HZ2 TRP 39 HZ2 TRP 39 27.738 11.810 -10.635 300 HZ3 TRP 39 HZ3 TRP 39 25.930 10.747 -14.383 301 HH2 TRP 39 HH2 TRP 39 25.788 11.854 -12.170 302 H LYS 40 HN LYS 40 32.186 5.821 -15.213 303 HA LYS 40 HA LYS 40 32.292 6.052 -18.028 304 HB2 LYS 40 HB2 LYS 40 34.126 5.217 -16.499 305 HB3 LYS 40 HB1 LYS 40 33.245 3.693 -16.397 306 HG2 LYS 40 HG2 LYS 40 33.383 3.423 -18.835 307 HG3 LYS 40 HG1 LYS 40 34.214 4.974 -18.967 308 HD2 LYS 40 HD2 LYS 40 36.050 4.110 -17.555 309 HD3 LYS 40 HD1 LYS 40 35.226 2.556 -17.447 310 HE2 LYS 40 HE2 LYS 40 35.386 2.275 -19.881 311 HE3 LYS 40 HE1 LYS 40 36.165 3.850 -20.024 312 HZ1 LYS 40 HZ1 LYS 40 38.112 2.998 -19.422 313 HZ2 LYS 40 HZ2 LYS 40 37.423 1.460 -19.637 314 HZ3 LYS 40 HZ3 LYS 40 37.447 2.175 -18.095 315 H LYS 41 HN LYS 41 31.352 4.931 -19.660 316 HA LYS 41 HA LYS 41 29.036 3.287 -19.029 317 HB2 LYS 41 HB2 LYS 41 28.994 5.014 -20.826 318 HB3 LYS 41 HB1 LYS 41 30.167 4.056 -21.728 319 HG2 LYS 41 HG2 LYS 41 28.593 2.162 -21.788 320 HG3 LYS 41 HG1 LYS 41 27.421 3.100 -20.859 321 HD2 LYS 41 HD2 LYS 41 27.374 4.803 -22.657 322 HD3 LYS 41 HD1 LYS 41 28.512 3.834 -23.590 323 HE2 LYS 41 HE2 LYS 41 26.899 1.986 -23.683 324 HE3 LYS 41 HE1 LYS 41 25.763 2.914 -22.702 325 HZ1 LYS 41 HZ1 LYS 41 26.798 4.202 -25.100 326 HZ2 LYS 41 HZ2 LYS 41 25.250 4.279 -24.407 327 HZ3 LYS 41 HZ3 LYS 41 25.702 2.929 -25.336 328 H LYS 42 HN LYS 42 28.829 1.130 -19.335 329 HA LYS 42 HA LYS 42 31.241 -0.348 -20.203 330 HB2 LYS 42 HB2 LYS 42 29.014 -1.088 -18.300 331 HB3 LYS 42 HB1 LYS 42 30.214 -2.241 -18.888 332 HG2 LYS 42 HG2 LYS 42 32.022 -0.895 -17.958 333 HG3 LYS 42 HG1 LYS 42 30.875 0.343 -17.447 334 HD2 LYS 42 HD2 LYS 42 29.765 -1.303 -15.976 335 HD3 LYS 42 HD1 LYS 42 30.943 -2.526 -16.467 336 HE2 LYS 42 HE2 LYS 42 32.770 -1.125 -15.585 337 HE3 LYS 42 HE1 LYS 42 31.599 0.100 -15.100 338 HZ1 LYS 42 HZ1 LYS 42 30.913 -1.112 -13.358 339 HZ2 LYS 42 HZ2 LYS 42 32.436 -1.852 -13.503 340 HZ3 LYS 42 HZ3 LYS 42 31.063 -2.592 -14.171 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 45.325 -1.479 0.403 2 H2 MET 1 HT2 MET 1 44.252 -0.638 1.411 3 H3 MET 1 HT3 MET 1 43.850 -0.916 -0.215 4 HA MET 1 HA MET 1 42.612 -2.522 0.860 5 HB2 MET 1 HB2 MET 1 45.327 -3.729 0.228 6 HB3 MET 1 HB1 MET 1 43.862 -4.672 0.512 7 HG2 MET 1 HG2 MET 1 42.755 -3.509 -1.377 8 HG3 MET 1 HG1 MET 1 44.243 -2.614 -1.686 9 HE1 MET 1 HE1 MET 1 43.408 -3.389 -3.806 10 HE2 MET 1 HE2 MET 1 43.540 -4.998 -4.511 11 HE3 MET 1 HE3 MET 1 44.958 -3.960 -4.433 12 H ALA 2 HN ALA 2 45.784 -2.004 2.296 13 HA ALA 2 HA ALA 2 46.617 -2.380 4.402 14 HB1 ALA 2 HB1 ALA 2 44.603 -2.316 6.172 15 HB2 ALA 2 HB2 ALA 2 43.769 -1.629 4.779 16 HB3 ALA 2 HB3 ALA 2 45.232 -0.862 5.399 17 H GLU 3 HN GLU 3 47.421 -4.374 4.565 18 HA GLU 3 HA GLU 3 45.877 -6.756 4.406 19 HB2 GLU 3 HB2 GLU 3 48.690 -6.266 5.414 20 HB3 GLU 3 HB1 GLU 3 47.985 -7.865 5.190 21 HG2 GLU 3 HG2 GLU 3 47.616 -7.389 2.809 22 HG3 GLU 3 HG1 GLU 3 48.266 -5.766 3.024 23 H ALA 4 HN ALA 4 47.178 -4.893 7.133 24 HA ALA 4 HA ALA 4 46.489 -6.767 9.144 25 HB1 ALA 4 HB1 ALA 4 47.715 -4.219 9.043 26 HB2 ALA 4 HB2 ALA 4 47.584 -5.294 10.434 27 HB3 ALA 4 HB3 ALA 4 46.346 -4.071 10.145 28 H HIS 5 HN HIS 5 44.684 -6.916 10.494 29 HA HIS 5 HA HIS 5 42.222 -5.904 9.308 30 HB2 HIS 5 HB2 HIS 5 42.760 -7.796 11.597 31 HB3 HIS 5 HB1 HIS 5 41.142 -7.263 11.131 32 HD2 HIS 5 HD2 HIS 5 40.129 -8.429 8.786 33 HE1 HIS 5 HE1 HIS 5 43.505 -10.821 7.937 34 HE2 HIS 5 HE2 HIS 5 41.089 -10.350 7.298 35 H GLN 6 HN GLN 6 44.408 -5.031 11.745 36 HA GLN 6 HA GLN 6 42.736 -3.798 13.645 37 HB2 GLN 6 HB2 GLN 6 45.139 -4.203 14.039 38 HB3 GLN 6 HB1 GLN 6 45.540 -3.031 12.779 39 HG2 GLN 6 HG2 GLN 6 44.566 -1.233 14.023 40 HG3 GLN 6 HG1 GLN 6 43.861 -2.347 15.195 41 HE21 GLN 6 HE21 GLN 6 45.615 -0.250 16.010 42 HE22 GLN 6 HE22 GLN 6 47.035 -0.955 16.605 43 H ALA 7 HN ALA 7 44.071 -2.639 10.568 44 HA ALA 7 HA ALA 7 43.246 0.076 10.906 45 HB1 ALA 7 HB1 ALA 7 44.721 -1.435 8.981 46 HB2 ALA 7 HB2 ALA 7 44.616 0.317 9.160 47 HB3 ALA 7 HB3 ALA 7 43.457 -0.534 8.142 48 H VAL 8 HN VAL 8 41.503 1.164 10.095 49 HA VAL 8 HA VAL 8 39.343 -0.475 8.925 50 HB VAL 8 HB VAL 8 39.146 1.671 11.053 51 HG11 VAL 8 HG11 VAL 8 36.649 1.217 10.803 52 HG12 VAL 8 HG12 VAL 8 37.035 0.465 9.255 53 HG13 VAL 8 HG13 VAL 8 37.386 2.175 9.521 54 HG21 VAL 8 HG21 VAL 8 38.573 -0.022 12.478 55 HG22 VAL 8 HG22 VAL 8 39.429 -1.038 11.319 56 HG23 VAL 8 HG23 VAL 8 37.673 -0.891 11.237 57 H ALA 9 HN ALA 9 38.450 0.321 7.126 58 HA ALA 9 HA ALA 9 39.635 2.561 5.818 59 HB1 ALA 9 HB1 ALA 9 37.140 1.828 4.606 60 HB2 ALA 9 HB2 ALA 9 37.951 0.355 5.140 61 HB3 ALA 9 HB3 ALA 9 38.772 1.467 4.044 62 H PHE 10 HN PHE 10 36.579 1.973 7.495 63 HA PHE 10 HA PHE 10 36.269 4.856 7.793 64 HB2 PHE 10 HB2 PHE 10 34.090 5.015 6.938 65 HB3 PHE 10 HB1 PHE 10 34.995 4.107 5.737 66 HD1 PHE 10 HD1 PHE 10 34.946 1.395 7.371 67 HD2 PHE 10 HD2 PHE 10 31.924 4.244 6.275 68 HE1 PHE 10 HE1 PHE 10 33.228 -0.376 7.512 69 HE2 PHE 10 HE2 PHE 10 30.209 2.465 6.413 70 HZ PHE 10 HZ PHE 10 30.855 0.156 7.030 71 H GLN 11 HN GLN 11 35.569 5.462 9.759 72 HA GLN 11 HA GLN 11 34.308 3.394 11.468 73 HB2 GLN 11 HB2 GLN 11 36.699 3.643 12.039 74 HB3 GLN 11 HB1 GLN 11 36.425 5.358 12.352 75 HG2 GLN 11 HG2 GLN 11 34.830 4.819 14.111 76 HG3 GLN 11 HG1 GLN 11 34.981 3.101 13.755 77 HE21 GLN 11 HE21 GLN 11 35.547 4.041 16.332 78 HE22 GLN 11 HE22 GLN 11 37.211 3.916 16.629 79 H PHE 12 HN PHE 12 32.560 3.986 12.559 80 HA PHE 12 HA PHE 12 31.907 6.868 12.675 81 HB2 PHE 12 HB2 PHE 12 30.386 5.996 11.118 82 HB3 PHE 12 HB1 PHE 12 30.259 4.459 11.954 83 HD1 PHE 12 HD1 PHE 12 30.000 7.767 13.685 84 HD2 PHE 12 HD2 PHE 12 27.897 4.385 12.068 85 HE1 PHE 12 HE1 PHE 12 27.944 8.470 14.879 86 HE2 PHE 12 HE2 PHE 12 25.839 5.099 13.240 87 HZ PHE 12 HZ PHE 12 25.860 7.137 14.651 88 H THR 13 HN THR 13 31.771 7.572 14.731 89 HA THR 13 HA THR 13 30.878 5.672 16.836 90 HB THR 13 HB THR 13 32.718 7.844 17.620 91 HG1 THR 13 HG1 THR 13 34.479 6.365 16.998 92 HG21 THR 13 HG21 THR 13 31.810 6.208 19.240 93 HG22 THR 13 HG22 THR 13 33.563 6.070 19.118 94 HG23 THR 13 HG23 THR 13 32.526 4.893 18.308 95 H VAL 14 HN VAL 14 29.297 6.322 18.074 96 HA VAL 14 HA VAL 14 28.255 9.035 17.729 97 HB VAL 14 HB VAL 14 26.693 7.167 17.387 98 HG11 VAL 14 HG11 VAL 14 26.710 6.475 20.282 99 HG12 VAL 14 HG12 VAL 14 28.051 5.859 19.315 100 HG13 VAL 14 HG13 VAL 14 26.392 5.451 18.882 101 HG21 VAL 14 HG21 VAL 14 25.652 8.166 19.948 102 HG22 VAL 14 HG22 VAL 14 25.023 8.396 18.314 103 HG23 VAL 14 HG23 VAL 14 26.306 9.440 18.922 104 H THR 15 HN THR 15 28.587 10.566 19.292 105 HA THR 15 HA THR 15 29.219 9.582 22.004 106 HB THR 15 HB THR 15 30.465 11.918 22.046 107 HG1 THR 15 HG1 THR 15 31.447 12.133 19.917 108 HG21 THR 15 HG21 THR 15 32.535 10.714 21.423 109 HG22 THR 15 HG22 THR 15 31.563 9.416 20.727 110 HG23 THR 15 HG23 THR 15 31.508 9.729 22.461 111 HA PRO 16 HA PRO 16 25.816 11.935 23.556 112 HB2 PRO 16 HB2 PRO 16 27.741 13.341 25.343 113 HB3 PRO 16 HB1 PRO 16 26.243 12.497 25.759 114 HG2 PRO 16 HG2 PRO 16 28.691 11.474 26.220 115 HG3 PRO 16 HG1 PRO 16 27.273 10.469 25.887 116 HD2 PRO 16 HD2 PRO 16 29.623 10.996 24.187 117 HD3 PRO 16 HD1 PRO 16 28.433 9.677 24.107 118 H ASP 17 HN ASP 17 28.877 13.645 22.922 119 HA ASP 17 HA ASP 17 27.712 16.234 22.611 120 HB2 ASP 17 HB2 ASP 17 29.920 16.811 21.633 121 HB3 ASP 17 HB1 ASP 17 30.051 16.017 23.197 122 H GLY 18 HN GLY 18 28.021 13.459 20.481 123 HA2 GLY 18 HA2 GLY 18 26.341 14.336 18.549 124 HA3 GLY 18 HA1 GLY 18 27.868 15.066 18.072 125 H ILE 19 HN ILE 19 28.433 13.898 16.313 126 HA ILE 19 HA ILE 19 28.859 11.023 16.696 127 HB ILE 19 HB ILE 19 28.172 10.738 14.315 128 HG12 ILE 19 HG12 ILE 19 27.109 13.555 14.652 129 HG13 ILE 19 HG11 ILE 19 28.510 13.125 13.674 130 HG21 ILE 19 HG21 ILE 19 25.974 11.960 16.000 131 HG22 ILE 19 HG22 ILE 19 26.637 10.356 16.310 132 HG23 ILE 19 HG23 ILE 19 25.807 10.692 14.790 133 HD11 ILE 19 HD11 ILE 19 25.699 12.948 12.997 134 HD12 ILE 19 HD12 ILE 19 26.469 11.367 12.859 135 HD13 ILE 19 HD13 ILE 19 27.111 12.739 11.958 136 H ASP 20 HN ASP 20 30.566 10.194 15.507 137 HA ASP 20 HA ASP 20 32.424 12.177 14.324 138 HB2 ASP 20 HB2 ASP 20 33.076 11.393 16.635 139 HB3 ASP 20 HB1 ASP 20 33.259 9.780 15.952 140 H LEU 21 HN LEU 21 33.382 11.586 12.405 141 HA LEU 21 HA LEU 21 33.039 8.802 11.506 142 HB2 LEU 21 HB2 LEU 21 32.489 11.336 9.925 143 HB3 LEU 21 HB1 LEU 21 32.520 9.720 9.229 144 HG LEU 21 HG LEU 21 30.713 10.436 11.543 145 HD11 LEU 21 HD11 LEU 21 30.372 10.879 8.590 146 HD12 LEU 21 HD12 LEU 21 29.896 11.921 9.932 147 HD13 LEU 21 HD13 LEU 21 28.972 10.465 9.575 148 HD21 LEU 21 HD21 LEU 21 31.330 8.019 10.187 149 HD22 LEU 21 HD22 LEU 21 29.727 8.503 9.638 150 HD23 LEU 21 HD23 LEU 21 30.042 8.290 11.360 151 H ARG 22 HN ARG 22 34.957 8.026 11.019 152 HA ARG 22 HA ARG 22 37.076 9.861 10.031 153 HB2 ARG 22 HB2 ARG 22 37.321 7.468 11.860 154 HB3 ARG 22 HB1 ARG 22 38.698 8.303 11.142 155 HG2 ARG 22 HG2 ARG 22 38.078 10.377 12.252 156 HG3 ARG 22 HG1 ARG 22 36.599 9.641 12.872 157 HD2 ARG 22 HD2 ARG 22 38.231 9.609 14.656 158 HD3 ARG 22 HD1 ARG 22 38.019 7.958 14.082 159 HE ARG 22 HE ARG 22 40.182 9.160 12.696 160 HH11 ARG 22 HH21 ARG 22 39.230 7.985 15.810 161 HH12 ARG 22 HH22 ARG 22 40.833 7.533 16.286 162 HH21 ARG 22 HH11 ARG 22 42.298 8.541 13.321 163 HH22 ARG 22 HH12 ARG 22 42.557 7.823 14.874 164 H LEU 23 HN LEU 23 38.214 9.296 8.241 165 HA LEU 23 HA LEU 23 37.895 6.561 7.234 166 HB2 LEU 23 HB2 LEU 23 37.358 9.057 5.607 167 HB3 LEU 23 HB1 LEU 23 37.437 7.419 4.964 168 HG LEU 23 HG LEU 23 35.645 7.040 6.955 169 HD11 LEU 23 HD11 LEU 23 34.901 9.761 5.900 170 HD12 LEU 23 HD12 LEU 23 35.883 9.604 7.355 171 HD13 LEU 23 HD13 LEU 23 34.261 8.915 7.307 172 HD21 LEU 23 HD21 LEU 23 35.292 6.421 4.619 173 HD22 LEU 23 HD22 LEU 23 35.061 8.116 4.185 174 HD23 LEU 23 HD23 LEU 23 33.888 7.305 5.221 175 H SER 24 HN SER 24 39.689 5.766 6.385 176 HA SER 24 HA SER 24 42.154 7.217 6.569 177 HB2 SER 24 HB2 SER 24 41.710 4.586 5.156 178 HB3 SER 24 HB1 SER 24 43.201 5.179 5.881 179 HG SER 24 HG SER 24 41.845 5.224 7.892 180 H HIS 25 HN HIS 25 43.551 7.830 4.897 181 HA HIS 25 HA HIS 25 42.433 9.070 2.656 182 HB2 HIS 25 HB2 HIS 25 45.262 8.138 3.188 183 HB3 HIS 25 HB1 HIS 25 44.810 9.111 1.786 184 HD2 HIS 25 HD2 HIS 25 45.956 9.740 5.333 185 HE1 HIS 25 HE1 HIS 25 43.756 13.172 4.252 186 HE2 HIS 25 HE2 HIS 25 45.395 12.217 5.936 187 H GLU 26 HN GLU 26 43.512 5.819 3.159 188 HA GLU 26 HA GLU 26 43.644 4.992 0.439 189 HB2 GLU 26 HB2 GLU 26 43.171 3.429 2.989 190 HB3 GLU 26 HB1 GLU 26 43.379 2.681 1.403 191 HG2 GLU 26 HG2 GLU 26 45.588 3.769 1.178 192 HG3 GLU 26 HG1 GLU 26 45.385 4.505 2.767 193 H ALA 27 HN ALA 27 41.083 5.179 2.830 194 HA ALA 27 HA ALA 27 39.093 3.730 1.478 195 HB1 ALA 27 HB1 ALA 27 37.545 4.767 2.982 196 HB2 ALA 27 HB2 ALA 27 38.615 6.146 3.235 197 HB3 ALA 27 HB3 ALA 27 39.045 4.561 3.888 198 H LEU 28 HN LEU 28 40.199 7.016 1.289 199 HA LEU 28 HA LEU 28 38.127 8.042 -0.374 200 HB2 LEU 28 HB2 LEU 28 40.863 8.984 0.394 201 HB3 LEU 28 HB1 LEU 28 40.006 9.791 -0.919 202 HG LEU 28 HG LEU 28 38.062 10.147 0.597 203 HD11 LEU 28 HD11 LEU 28 38.619 9.814 3.085 204 HD12 LEU 28 HD12 LEU 28 39.900 8.743 2.527 205 HD13 LEU 28 HD13 LEU 28 38.218 8.369 2.156 206 HD21 LEU 28 HD21 LEU 28 39.426 11.643 2.271 207 HD22 LEU 28 HD22 LEU 28 39.436 12.022 0.548 208 HD23 LEU 28 HD23 LEU 28 40.799 11.168 1.274 209 H ARG 29 HN ARG 29 41.251 6.573 -1.049 210 HA ARG 29 HA ARG 29 41.351 7.090 -3.818 211 HB2 ARG 29 HB2 ARG 29 43.280 6.257 -2.480 212 HB3 ARG 29 HB1 ARG 29 42.489 4.687 -2.368 213 HG2 ARG 29 HG2 ARG 29 42.574 4.401 -4.769 214 HG3 ARG 29 HG1 ARG 29 43.158 6.052 -4.983 215 HD2 ARG 29 HD2 ARG 29 45.186 5.502 -3.708 216 HD3 ARG 29 HD1 ARG 29 44.606 3.852 -3.499 217 HE ARG 29 HE ARG 29 45.137 3.418 -5.722 218 HH11 ARG 29 HH21 ARG 29 45.285 6.812 -5.027 219 HH12 ARG 29 HH22 ARG 29 46.128 7.208 -6.486 220 HH21 ARG 29 HH11 ARG 29 46.231 3.927 -7.629 221 HH22 ARG 29 HH12 ARG 29 46.650 5.569 -7.973 222 H GLN 30 HN GLN 30 39.940 4.328 -2.056 223 HA GLN 30 HA GLN 30 39.194 2.901 -4.421 224 HB2 GLN 30 HB2 GLN 30 38.103 2.753 -1.598 225 HB3 GLN 30 HB1 GLN 30 37.776 1.582 -2.876 226 HG2 GLN 30 HG2 GLN 30 40.544 2.289 -1.864 227 HG3 GLN 30 HG1 GLN 30 39.636 0.865 -1.364 228 HE21 GLN 30 HE21 GLN 30 41.990 1.846 -3.521 229 HE22 GLN 30 HE22 GLN 30 41.780 0.650 -4.710 230 H ILE 31 HN ILE 31 37.542 5.144 -2.258 231 HA ILE 31 HA ILE 31 34.999 4.949 -3.441 232 HB ILE 31 HB ILE 31 36.316 7.133 -1.832 233 HG12 ILE 31 HG12 ILE 31 34.081 5.230 -1.087 234 HG13 ILE 31 HG11 ILE 31 35.782 4.830 -0.850 235 HG21 ILE 31 HG21 ILE 31 34.678 8.355 -2.967 236 HG22 ILE 31 HG22 ILE 31 33.814 7.827 -1.520 237 HG23 ILE 31 HG23 ILE 31 33.566 6.988 -3.055 238 HD11 ILE 31 HD11 ILE 31 35.904 6.116 1.002 239 HD12 ILE 31 HD12 ILE 31 34.147 6.262 0.914 240 HD13 ILE 31 HD13 ILE 31 35.170 7.489 0.169 241 H TYR 32 HN TYR 32 37.666 7.265 -4.142 242 HA TYR 32 HA TYR 32 36.171 8.790 -5.985 243 HB2 TYR 32 HB2 TYR 32 38.229 9.635 -5.077 244 HB3 TYR 32 HB1 TYR 32 39.144 8.307 -5.789 245 HD1 TYR 32 HD1 TYR 32 36.879 11.149 -6.677 246 HD2 TYR 32 HD2 TYR 32 40.004 8.491 -7.959 247 HE1 TYR 32 HE1 TYR 32 37.137 12.458 -8.775 248 HE2 TYR 32 HE2 TYR 32 40.266 9.794 -10.047 249 HH TYR 32 HH TYR 32 39.186 12.803 -10.477 250 H LEU 33 HN LEU 33 38.418 6.086 -6.511 251 HA LEU 33 HA LEU 33 38.128 5.975 -9.315 252 HB2 LEU 33 HB2 LEU 33 38.881 3.882 -7.272 253 HB3 LEU 33 HB1 LEU 33 38.988 3.616 -9.012 254 HG LEU 33 HG LEU 33 40.368 5.869 -7.522 255 HD11 LEU 33 HD11 LEU 33 41.444 3.889 -6.803 256 HD12 LEU 33 HD12 LEU 33 42.431 4.451 -8.153 257 HD13 LEU 33 HD13 LEU 33 41.286 3.129 -8.386 258 HD21 LEU 33 HD21 LEU 33 41.731 5.563 -9.840 259 HD22 LEU 33 HD22 LEU 33 40.370 6.672 -9.674 260 HD23 LEU 33 HD23 LEU 33 40.124 5.079 -10.386 261 H SER 34 HN SER 34 36.361 4.267 -6.703 262 HA SER 34 HA SER 34 34.764 2.638 -8.367 263 HB2 SER 34 HB2 SER 34 34.263 3.802 -5.621 264 HB3 SER 34 HB1 SER 34 33.152 2.688 -6.406 265 HG SER 34 HG SER 34 34.430 1.291 -5.450 266 H GLY 35 HN GLY 35 34.468 5.967 -7.306 267 HA2 GLY 35 HA2 GLY 35 31.832 6.444 -8.311 268 HA3 GLY 35 HA1 GLY 35 33.017 7.674 -7.865 269 H LEU 36 HN LEU 36 35.098 6.868 -9.578 270 HA LEU 36 HA LEU 36 34.477 8.281 -11.910 271 HB2 LEU 36 HB2 LEU 36 36.755 8.023 -10.976 272 HB3 LEU 36 HB1 LEU 36 36.746 6.332 -11.466 273 HG LEU 36 HG LEU 36 36.441 7.035 -13.831 274 HD11 LEU 36 HD11 LEU 36 36.288 9.718 -12.524 275 HD12 LEU 36 HD12 LEU 36 35.403 9.088 -13.915 276 HD13 LEU 36 HD13 LEU 36 37.074 9.618 -14.098 277 HD21 LEU 36 HD21 LEU 36 38.765 8.589 -13.560 278 HD22 LEU 36 HD22 LEU 36 38.683 6.838 -13.780 279 HD23 LEU 36 HD23 LEU 36 38.764 7.519 -12.155 280 H HIS 37 HN HIS 37 34.471 4.846 -11.224 281 HA HIS 37 HA HIS 37 34.016 4.047 -13.959 282 HB2 HIS 37 HB2 HIS 37 33.897 2.595 -11.315 283 HB3 HIS 37 HB1 HIS 37 33.524 1.822 -12.856 284 HD2 HIS 37 HD2 HIS 37 35.748 1.046 -14.326 285 HE1 HIS 37 HE1 HIS 37 38.692 2.929 -11.957 286 HE2 HIS 37 HE2 HIS 37 38.306 1.330 -13.894 287 H SER 38 HN SER 38 32.112 4.760 -11.114 288 HA SER 38 HA SER 38 29.641 3.678 -11.985 289 HB2 SER 38 HB2 SER 38 30.163 6.003 -10.129 290 HB3 SER 38 HB1 SER 38 28.633 5.156 -10.304 291 HG SER 38 HG SER 38 31.108 4.167 -9.349 292 H TRP 39 HN TRP 39 31.128 6.915 -12.394 293 HA TRP 39 HA TRP 39 28.842 8.058 -13.630 294 HB2 TRP 39 HB2 TRP 39 30.564 9.500 -12.723 295 HB3 TRP 39 HB1 TRP 39 31.782 8.773 -13.777 296 HD1 TRP 39 HD1 TRP 39 32.246 10.051 -15.886 297 HE1 TRP 39 HE1 TRP 39 30.969 11.724 -17.376 298 HE3 TRP 39 HE3 TRP 39 27.750 10.165 -13.456 299 HZ2 TRP 39 HZ2 TRP 39 28.379 12.946 -17.525 300 HZ3 TRP 39 HZ3 TRP 39 25.894 11.581 -14.295 301 HH2 TRP 39 HH2 TRP 39 26.199 12.976 -16.326 302 H LYS 40 HN LYS 40 31.642 6.262 -14.779 303 HA LYS 40 HA LYS 40 30.947 6.605 -17.574 304 HB2 LYS 40 HB2 LYS 40 33.052 4.909 -16.201 305 HB3 LYS 40 HB1 LYS 40 32.871 5.070 -17.949 306 HG2 LYS 40 HG2 LYS 40 33.193 7.507 -17.762 307 HG3 LYS 40 HG1 LYS 40 33.374 7.350 -16.018 308 HD2 LYS 40 HD2 LYS 40 35.346 5.900 -16.349 309 HD3 LYS 40 HD1 LYS 40 35.172 6.062 -18.095 310 HE2 LYS 40 HE2 LYS 40 35.634 8.356 -16.167 311 HE3 LYS 40 HE1 LYS 40 36.863 7.635 -17.202 312 HZ1 LYS 40 HZ1 LYS 40 35.044 9.638 -17.849 313 HZ2 LYS 40 HZ2 LYS 40 34.610 8.268 -18.751 314 HZ3 LYS 40 HZ3 LYS 40 36.183 8.902 -18.862 315 H LYS 41 HN LYS 41 30.012 5.089 -18.904 316 HA LYS 41 HA LYS 41 28.569 2.908 -17.573 317 HB2 LYS 41 HB2 LYS 41 28.396 4.076 -20.352 318 HB3 LYS 41 HB1 LYS 41 27.459 2.687 -19.812 319 HG2 LYS 41 HG2 LYS 41 26.454 4.026 -18.025 320 HG3 LYS 41 HG1 LYS 41 27.412 5.425 -18.508 321 HD2 LYS 41 HD2 LYS 41 26.330 5.434 -20.706 322 HD3 LYS 41 HD1 LYS 41 25.416 3.983 -20.280 323 HE2 LYS 41 HE2 LYS 41 23.975 5.891 -19.929 324 HE3 LYS 41 HE1 LYS 41 24.434 5.255 -18.353 325 HZ1 LYS 41 HZ1 LYS 41 25.750 7.538 -19.724 326 HZ2 LYS 41 HZ2 LYS 41 26.136 6.935 -18.181 327 HZ3 LYS 41 HZ3 LYS 41 24.631 7.668 -18.454 328 H LYS 42 HN LYS 42 28.792 0.752 -18.083 329 HA LYS 42 HA LYS 42 31.279 0.068 -19.487 330 HB2 LYS 42 HB2 LYS 42 29.498 -1.509 -17.618 331 HB3 LYS 42 HB1 LYS 42 30.885 -2.201 -18.457 332 HG2 LYS 42 HG2 LYS 42 32.340 -0.481 -17.438 333 HG3 LYS 42 HG1 LYS 42 30.951 0.159 -16.563 334 HD2 LYS 42 HD2 LYS 42 30.675 -1.967 -15.379 335 HD3 LYS 42 HD1 LYS 42 31.993 -2.680 -16.310 336 HE2 LYS 42 HE2 LYS 42 32.822 -1.958 -14.124 337 HE3 LYS 42 HE1 LYS 42 33.536 -0.963 -15.396 338 HZ1 LYS 42 HZ1 LYS 42 32.711 0.806 -14.388 339 HZ2 LYS 42 HZ2 LYS 42 31.943 -0.161 -13.220 340 HZ3 LYS 42 HZ3 LYS 42 31.141 0.230 -14.666 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 34.706 -6.871 15.177 2 H2 MET 1 HT2 MET 1 35.050 -6.907 16.842 3 H3 MET 1 HT3 MET 1 34.061 -8.103 16.146 4 HA MET 1 HA MET 1 36.191 -9.067 16.509 5 HB2 MET 1 HB2 MET 1 35.739 -8.304 13.612 6 HB3 MET 1 HB1 MET 1 36.833 -9.574 14.151 7 HG2 MET 1 HG2 MET 1 34.888 -10.671 15.298 8 HG3 MET 1 HG1 MET 1 33.838 -9.461 14.561 9 HE1 MET 1 HE1 MET 1 33.175 -12.525 13.954 10 HE2 MET 1 HE2 MET 1 32.721 -12.173 12.288 11 HE3 MET 1 HE3 MET 1 32.389 -10.993 13.553 12 H ALA 2 HN ALA 2 38.482 -9.080 15.856 13 HA ALA 2 HA ALA 2 39.784 -6.655 16.505 14 HB1 ALA 2 HB1 ALA 2 41.348 -8.652 15.012 15 HB2 ALA 2 HB2 ALA 2 40.496 -9.290 16.419 16 HB3 ALA 2 HB3 ALA 2 41.634 -7.959 16.609 17 H GLU 3 HN GLU 3 40.754 -5.117 15.254 18 HA GLU 3 HA GLU 3 39.818 -4.693 12.617 19 HB2 GLU 3 HB2 GLU 3 42.025 -3.392 14.208 20 HB3 GLU 3 HB1 GLU 3 41.558 -2.860 12.590 21 HG2 GLU 3 HG2 GLU 3 39.273 -2.456 13.344 22 HG3 GLU 3 HG1 GLU 3 39.665 -3.074 14.947 23 H ALA 4 HN ALA 4 42.685 -6.268 13.858 24 HA ALA 4 HA ALA 4 44.263 -6.149 11.517 25 HB1 ALA 4 HB1 ALA 4 44.251 -8.444 13.483 26 HB2 ALA 4 HB2 ALA 4 44.985 -6.885 13.856 27 HB3 ALA 4 HB3 ALA 4 45.599 -7.852 12.514 28 H HIS 5 HN HIS 5 41.701 -8.333 12.571 29 HA HIS 5 HA HIS 5 42.061 -10.270 10.522 30 HB2 HIS 5 HB2 HIS 5 39.744 -9.574 12.317 31 HB3 HIS 5 HB1 HIS 5 39.650 -10.863 11.114 32 HD2 HIS 5 HD2 HIS 5 40.290 -10.880 14.703 33 HE1 HIS 5 HE1 HIS 5 43.190 -13.581 13.250 34 HE2 HIS 5 HE2 HIS 5 41.997 -12.753 15.331 35 H GLN 6 HN GLN 6 39.912 -7.459 10.808 36 HA GLN 6 HA GLN 6 39.372 -7.659 7.900 37 HB2 GLN 6 HB2 GLN 6 37.379 -8.185 9.273 38 HB3 GLN 6 HB1 GLN 6 37.541 -6.627 10.078 39 HG2 GLN 6 HG2 GLN 6 35.871 -6.458 8.307 40 HG3 GLN 6 HG1 GLN 6 37.271 -5.486 7.881 41 HE21 GLN 6 HE21 GLN 6 37.430 -5.669 5.633 42 HE22 GLN 6 HE22 GLN 6 37.412 -7.135 4.785 43 H ALA 7 HN ALA 7 39.998 -5.934 6.747 44 HA ALA 7 HA ALA 7 41.235 -3.682 7.997 45 HB1 ALA 7 HB1 ALA 7 40.328 -3.743 5.129 46 HB2 ALA 7 HB2 ALA 7 41.707 -4.701 5.667 47 HB3 ALA 7 HB3 ALA 7 41.740 -2.945 5.827 48 H VAL 8 HN VAL 8 40.536 -1.527 8.052 49 HA VAL 8 HA VAL 8 37.636 -1.101 7.618 50 HB VAL 8 HB VAL 8 37.958 -1.326 9.987 51 HG11 VAL 8 HG11 VAL 8 39.648 -0.056 11.207 52 HG12 VAL 8 HG12 VAL 8 40.160 0.743 9.727 53 HG13 VAL 8 HG13 VAL 8 40.437 -0.983 9.935 54 HG21 VAL 8 HG21 VAL 8 38.054 1.657 9.590 55 HG22 VAL 8 HG22 VAL 8 37.060 0.720 10.704 56 HG23 VAL 8 HG23 VAL 8 36.687 0.726 8.982 57 H ALA 9 HN ALA 9 37.103 0.711 6.520 58 HA ALA 9 HA ALA 9 39.248 2.677 5.970 59 HB1 ALA 9 HB1 ALA 9 37.980 1.118 4.133 60 HB2 ALA 9 HB2 ALA 9 38.670 2.702 3.777 61 HB3 ALA 9 HB3 ALA 9 36.948 2.547 4.126 62 H PHE 10 HN PHE 10 36.147 2.149 7.306 63 HA PHE 10 HA PHE 10 35.883 5.023 7.748 64 HB2 PHE 10 HB2 PHE 10 33.658 5.207 7.004 65 HB3 PHE 10 HB1 PHE 10 34.506 4.348 5.728 66 HD1 PHE 10 HD1 PHE 10 34.541 1.581 7.276 67 HD2 PHE 10 HD2 PHE 10 31.463 4.451 6.408 68 HE1 PHE 10 HE1 PHE 10 32.848 -0.197 7.433 69 HE2 PHE 10 HE2 PHE 10 29.763 2.652 6.561 70 HZ PHE 10 HZ PHE 10 30.457 0.330 7.076 71 H GLN 11 HN GLN 11 35.312 5.561 9.767 72 HA GLN 11 HA GLN 11 34.091 3.465 11.477 73 HB2 GLN 11 HB2 GLN 11 36.318 5.376 12.229 74 HB3 GLN 11 HB1 GLN 11 35.445 4.361 13.375 75 HG2 GLN 11 HG2 GLN 11 36.159 2.346 12.134 76 HG3 GLN 11 HG1 GLN 11 37.049 3.364 11.003 77 HE21 GLN 11 HE21 GLN 11 38.225 1.304 12.778 78 HE22 GLN 11 HE22 GLN 11 39.316 2.119 13.792 79 H PHE 12 HN PHE 12 32.378 4.082 12.670 80 HA PHE 12 HA PHE 12 31.780 6.973 12.787 81 HB2 PHE 12 HB2 PHE 12 30.300 6.160 11.175 82 HB3 PHE 12 HB1 PHE 12 30.090 4.622 11.997 83 HD1 PHE 12 HD1 PHE 12 29.894 7.897 13.766 84 HD2 PHE 12 HD2 PHE 12 27.712 4.662 11.976 85 HE1 PHE 12 HE1 PHE 12 27.819 8.698 14.832 86 HE2 PHE 12 HE2 PHE 12 25.629 5.481 13.032 87 HZ PHE 12 HZ PHE 12 25.680 7.503 14.462 88 H THR 13 HN THR 13 31.650 7.636 14.853 89 HA THR 13 HA THR 13 30.701 5.702 16.878 90 HB THR 13 HB THR 13 32.333 7.033 18.408 91 HG1 THR 13 HG1 THR 13 33.462 7.402 15.840 92 HG21 THR 13 HG21 THR 13 34.240 5.494 17.305 93 HG22 THR 13 HG22 THR 13 32.831 4.816 16.490 94 HG23 THR 13 HG23 THR 13 32.917 4.821 18.254 95 H VAL 14 HN VAL 14 29.165 6.341 18.182 96 HA VAL 14 HA VAL 14 28.272 9.130 18.006 97 HB VAL 14 HB VAL 14 26.596 7.363 17.581 98 HG11 VAL 14 HG11 VAL 14 26.037 5.726 19.179 99 HG12 VAL 14 HG12 VAL 14 26.843 6.596 20.484 100 HG13 VAL 14 HG13 VAL 14 27.800 5.778 19.247 101 HG21 VAL 14 HG21 VAL 14 25.121 8.821 18.457 102 HG22 VAL 14 HG22 VAL 14 26.395 9.513 19.459 103 HG23 VAL 14 HG23 VAL 14 25.429 8.167 20.067 104 H THR 15 HN THR 15 28.707 10.537 19.648 105 HA THR 15 HA THR 15 29.397 9.350 22.267 106 HB THR 15 HB THR 15 31.344 10.455 22.317 107 HG1 THR 15 HG1 THR 15 30.289 12.768 21.137 108 HG21 THR 15 HG21 THR 15 30.720 11.415 19.517 109 HG22 THR 15 HG22 THR 15 31.236 9.767 19.881 110 HG23 THR 15 HG23 THR 15 32.308 11.122 20.223 111 HA PRO 16 HA PRO 16 26.306 11.823 24.196 112 HB2 PRO 16 HB2 PRO 16 28.418 13.155 25.830 113 HB3 PRO 16 HB1 PRO 16 26.949 12.320 26.361 114 HG2 PRO 16 HG2 PRO 16 29.389 11.236 26.596 115 HG3 PRO 16 HG1 PRO 16 27.935 10.267 26.312 116 HD2 PRO 16 HD2 PRO 16 30.155 10.900 24.448 117 HD3 PRO 16 HD1 PRO 16 29.018 9.532 24.448 118 H ASP 17 HN ASP 17 29.352 13.518 23.369 119 HA ASP 17 HA ASP 17 28.076 16.069 23.185 120 HB2 ASP 17 HB2 ASP 17 30.790 15.051 22.356 121 HB3 ASP 17 HB1 ASP 17 30.277 16.722 22.120 122 H GLY 18 HN GLY 18 28.273 13.385 20.927 123 HA2 GLY 18 HA2 GLY 18 26.579 14.394 19.070 124 HA3 GLY 18 HA1 GLY 18 28.113 15.106 18.587 125 H ILE 19 HN ILE 19 28.573 13.990 16.729 126 HA ILE 19 HA ILE 19 28.961 11.093 16.991 127 HB ILE 19 HB ILE 19 28.213 10.975 14.572 128 HG12 ILE 19 HG12 ILE 19 26.912 13.621 15.228 129 HG13 ILE 19 HG11 ILE 19 28.401 13.498 14.287 130 HG21 ILE 19 HG21 ILE 19 25.750 11.156 15.222 131 HG22 ILE 19 HG22 ILE 19 26.308 11.744 16.790 132 HG23 ILE 19 HG23 ILE 19 26.729 10.122 16.260 133 HD11 ILE 19 HD11 ILE 19 26.193 13.590 12.966 134 HD12 ILE 19 HD12 ILE 19 25.924 11.944 13.537 135 HD13 ILE 19 HD13 ILE 19 27.327 12.310 12.537 136 H ASP 20 HN ASP 20 30.622 10.289 15.768 137 HA ASP 20 HA ASP 20 32.416 12.266 14.492 138 HB2 ASP 20 HB2 ASP 20 33.251 11.627 16.742 139 HB3 ASP 20 HB1 ASP 20 33.302 9.949 16.212 140 H LEU 21 HN LEU 21 33.364 11.649 12.598 141 HA LEU 21 HA LEU 21 32.996 8.875 11.736 142 HB2 LEU 21 HB2 LEU 21 32.498 9.884 9.436 143 HB3 LEU 21 HB1 LEU 21 31.213 9.955 10.637 144 HG LEU 21 HG LEU 21 33.033 12.271 10.710 145 HD11 LEU 21 HD11 LEU 21 32.136 13.312 8.687 146 HD12 LEU 21 HD12 LEU 21 31.180 11.870 8.343 147 HD13 LEU 21 HD13 LEU 21 32.940 11.807 8.254 148 HD21 LEU 21 HD21 LEU 21 30.019 12.014 10.454 149 HD22 LEU 21 HD22 LEU 21 30.909 13.450 10.959 150 HD23 LEU 21 HD23 LEU 21 30.895 12.020 11.988 151 H ARG 22 HN ARG 22 34.888 8.090 11.224 152 HA ARG 22 HA ARG 22 36.999 9.917 10.207 153 HB2 ARG 22 HB2 ARG 22 37.240 7.499 11.994 154 HB3 ARG 22 HB1 ARG 22 38.616 8.329 11.269 155 HG2 ARG 22 HG2 ARG 22 37.932 10.430 12.367 156 HG3 ARG 22 HG1 ARG 22 36.550 9.604 13.091 157 HD2 ARG 22 HD2 ARG 22 38.119 8.034 14.213 158 HD3 ARG 22 HD1 ARG 22 39.469 8.945 13.548 159 HE ARG 22 HE ARG 22 37.679 10.621 15.044 160 HH11 ARG 22 HH21 ARG 22 40.192 8.275 15.196 161 HH12 ARG 22 HH22 ARG 22 40.835 8.831 16.704 162 HH21 ARG 22 HH11 ARG 22 38.507 11.386 17.044 163 HH22 ARG 22 HH12 ARG 22 39.890 10.611 17.744 164 H LEU 23 HN LEU 23 38.117 9.377 8.387 165 HA LEU 23 HA LEU 23 37.736 6.681 7.331 166 HB2 LEU 23 HB2 LEU 23 37.314 7.726 5.068 167 HB3 LEU 23 HB1 LEU 23 35.998 7.860 6.233 168 HG LEU 23 HG LEU 23 37.909 10.086 6.387 169 HD11 LEU 23 HD11 LEU 23 38.024 9.727 3.962 170 HD12 LEU 23 HD12 LEU 23 37.090 11.178 4.310 171 HD13 LEU 23 HD13 LEU 23 36.263 9.684 3.866 172 HD21 LEU 23 HD21 LEU 23 35.725 10.051 7.537 173 HD22 LEU 23 HD22 LEU 23 34.902 9.911 5.983 174 HD23 LEU 23 HD23 LEU 23 35.796 11.380 6.378 175 H SER 24 HN SER 24 39.470 5.896 6.312 176 HA SER 24 HA SER 24 41.944 7.347 6.492 177 HB2 SER 24 HB2 SER 24 41.199 4.613 5.496 178 HB3 SER 24 HB1 SER 24 42.820 5.260 5.252 179 HG SER 24 HG SER 24 42.908 5.605 7.524 180 H HIS 25 HN HIS 25 43.306 7.978 4.856 181 HA HIS 25 HA HIS 25 42.184 9.228 2.624 182 HB2 HIS 25 HB2 HIS 25 45.036 8.318 3.122 183 HB3 HIS 25 HB1 HIS 25 44.550 9.306 1.743 184 HD2 HIS 25 HD2 HIS 25 45.993 10.023 5.092 185 HE1 HIS 25 HE1 HIS 25 43.321 13.233 4.473 186 HE2 HIS 25 HE2 HIS 25 45.245 12.391 5.899 187 H GLU 26 HN GLU 26 43.209 5.984 3.195 188 HA GLU 26 HA GLU 26 43.376 5.088 0.494 189 HB2 GLU 26 HB2 GLU 26 42.802 3.555 3.049 190 HB3 GLU 26 HB1 GLU 26 43.097 2.805 1.479 191 HG2 GLU 26 HG2 GLU 26 45.039 4.690 2.840 192 HG3 GLU 26 HG1 GLU 26 45.143 2.930 2.927 193 H ALA 27 HN ALA 27 40.744 5.316 2.845 194 HA ALA 27 HA ALA 27 38.770 3.896 1.427 195 HB1 ALA 27 HB1 ALA 27 38.848 5.153 3.847 196 HB2 ALA 27 HB2 ALA 27 37.370 4.584 3.075 197 HB3 ALA 27 HB3 ALA 27 37.853 6.271 2.917 198 H LEU 28 HN LEU 28 39.922 7.178 1.233 199 HA LEU 28 HA LEU 28 37.900 8.249 -0.473 200 HB2 LEU 28 HB2 LEU 28 40.755 9.110 0.030 201 HB3 LEU 28 HB1 LEU 28 39.621 10.031 -0.947 202 HG LEU 28 HG LEU 28 39.129 9.247 1.942 203 HD11 LEU 28 HD11 LEU 28 40.832 11.285 0.856 204 HD12 LEU 28 HD12 LEU 28 40.448 10.962 2.549 205 HD13 LEU 28 HD13 LEU 28 39.440 12.060 1.612 206 HD21 LEU 28 HD21 LEU 28 37.572 10.680 -0.154 207 HD22 LEU 28 HD22 LEU 28 37.558 11.403 1.453 208 HD23 LEU 28 HD23 LEU 28 37.006 9.748 1.232 209 H ARG 29 HN ARG 29 41.044 6.767 -1.061 210 HA ARG 29 HA ARG 29 41.177 7.282 -3.823 211 HB2 ARG 29 HB2 ARG 29 43.116 6.576 -2.449 212 HB3 ARG 29 HB1 ARG 29 42.406 4.970 -2.301 213 HG2 ARG 29 HG2 ARG 29 42.486 4.698 -4.749 214 HG3 ARG 29 HG1 ARG 29 43.180 6.314 -4.910 215 HD2 ARG 29 HD2 ARG 29 45.068 5.552 -3.414 216 HD3 ARG 29 HD1 ARG 29 44.411 3.921 -3.526 217 HE ARG 29 HE ARG 29 45.782 5.394 -5.643 218 HH11 ARG 29 HH21 ARG 29 43.822 2.698 -4.703 219 HH12 ARG 29 HH22 ARG 29 44.266 1.730 -6.070 220 HH21 ARG 29 HH11 ARG 29 46.352 4.125 -7.442 221 HH22 ARG 29 HH12 ARG 29 45.674 2.539 -7.624 222 H GLN 30 HN GLN 30 39.780 4.544 -2.037 223 HA GLN 30 HA GLN 30 39.192 3.031 -4.389 224 HB2 GLN 30 HB2 GLN 30 38.046 2.930 -1.592 225 HB3 GLN 30 HB1 GLN 30 37.667 1.763 -2.862 226 HG2 GLN 30 HG2 GLN 30 40.049 1.180 -3.056 227 HG3 GLN 30 HG1 GLN 30 40.446 2.361 -1.809 228 HE21 GLN 30 HE21 GLN 30 40.984 1.125 0.012 229 HE22 GLN 30 HE22 GLN 30 40.029 -0.131 0.632 230 H ILE 31 HN ILE 31 37.381 5.284 -2.361 231 HA ILE 31 HA ILE 31 34.904 4.991 -3.644 232 HB ILE 31 HB ILE 31 36.099 7.288 -2.102 233 HG12 ILE 31 HG12 ILE 31 33.861 5.400 -1.347 234 HG13 ILE 31 HG11 ILE 31 35.548 5.041 -0.990 235 HG21 ILE 31 HG21 ILE 31 34.475 8.385 -3.378 236 HG22 ILE 31 HG22 ILE 31 33.561 7.899 -1.950 237 HG23 ILE 31 HG23 ILE 31 33.427 6.967 -3.442 238 HD11 ILE 31 HD11 ILE 31 34.083 7.549 -0.119 239 HD12 ILE 31 HD12 ILE 31 35.748 7.127 0.285 240 HD13 ILE 31 HD13 ILE 31 34.414 6.163 0.918 241 H TYR 32 HN TYR 32 37.519 7.398 -4.330 242 HA TYR 32 HA TYR 32 36.074 8.784 -6.321 243 HB2 TYR 32 HB2 TYR 32 38.119 9.723 -5.414 244 HB3 TYR 32 HB1 TYR 32 39.059 8.367 -6.032 245 HD1 TYR 32 HD1 TYR 32 37.095 11.363 -6.974 246 HD2 TYR 32 HD2 TYR 32 39.663 8.215 -8.375 247 HE1 TYR 32 HE1 TYR 32 37.362 12.541 -9.138 248 HE2 TYR 32 HE2 TYR 32 39.926 9.395 -10.539 249 HH TYR 32 HH TYR 32 39.752 11.819 -11.340 250 H LEU 33 HN LEU 33 38.377 6.086 -6.603 251 HA LEU 33 HA LEU 33 38.232 5.822 -9.404 252 HB2 LEU 33 HB2 LEU 33 38.919 3.870 -7.212 253 HB3 LEU 33 HB1 LEU 33 39.041 3.458 -8.920 254 HG LEU 33 HG LEU 33 40.407 5.850 -7.652 255 HD11 LEU 33 HD11 LEU 33 42.481 4.399 -7.956 256 HD12 LEU 33 HD12 LEU 33 41.383 3.041 -8.186 257 HD13 LEU 33 HD13 LEU 33 41.389 3.919 -6.657 258 HD21 LEU 33 HD21 LEU 33 40.545 6.392 -9.870 259 HD22 LEU 33 HD22 LEU 33 40.198 4.752 -10.403 260 HD23 LEU 33 HD23 LEU 33 41.826 5.185 -9.893 261 H SER 34 HN SER 34 36.352 4.203 -6.828 262 HA SER 34 HA SER 34 34.895 2.485 -8.528 263 HB2 SER 34 HB2 SER 34 33.308 2.342 -6.656 264 HB3 SER 34 HB1 SER 34 34.970 2.248 -6.076 265 HG SER 34 HG SER 34 33.920 3.733 -4.813 266 H GLY 35 HN GLY 35 34.479 5.827 -7.559 267 HA2 GLY 35 HA2 GLY 35 31.880 6.186 -8.714 268 HA3 GLY 35 HA1 GLY 35 32.979 7.467 -8.205 269 H LEU 36 HN LEU 36 35.199 6.681 -9.716 270 HA LEU 36 HA LEU 36 34.781 8.044 -12.111 271 HB2 LEU 36 HB2 LEU 36 36.988 7.808 -11.051 272 HB3 LEU 36 HB1 LEU 36 36.968 6.081 -11.389 273 HG LEU 36 HG LEU 36 36.878 6.552 -13.816 274 HD11 LEU 36 HD11 LEU 36 37.533 9.087 -14.294 275 HD12 LEU 36 HD12 LEU 36 36.652 9.354 -12.789 276 HD13 LEU 36 HD13 LEU 36 35.843 8.595 -14.159 277 HD21 LEU 36 HD21 LEU 36 39.058 6.530 -12.333 278 HD22 LEU 36 HD22 LEU 36 39.124 8.238 -12.758 279 HD23 LEU 36 HD23 LEU 36 39.149 7.010 -14.026 280 H HIS 37 HN HIS 37 34.794 4.582 -11.377 281 HA HIS 37 HA HIS 37 34.492 3.780 -14.120 282 HB2 HIS 37 HB2 HIS 37 34.113 2.271 -11.523 283 HB3 HIS 37 HB1 HIS 37 33.998 1.537 -13.124 284 HD2 HIS 37 HD2 HIS 37 36.686 1.999 -10.557 285 HE1 HIS 37 HE1 HIS 37 38.743 2.101 -14.241 286 HE2 HIS 37 HE2 HIS 37 39.018 1.893 -11.726 287 H SER 38 HN SER 38 32.374 4.602 -11.487 288 HA SER 38 HA SER 38 29.967 3.473 -12.500 289 HB2 SER 38 HB2 SER 38 30.414 5.825 -10.654 290 HB3 SER 38 HB1 SER 38 28.844 5.091 -10.973 291 HG SER 38 HG SER 38 30.948 3.410 -10.252 292 H TRP 39 HN TRP 39 31.460 6.722 -12.893 293 HA TRP 39 HA TRP 39 29.299 7.765 -14.422 294 HB2 TRP 39 HB2 TRP 39 30.793 9.327 -13.391 295 HB3 TRP 39 HB1 TRP 39 32.198 8.581 -14.149 296 HD1 TRP 39 HD1 TRP 39 32.949 9.597 -16.361 297 HE1 TRP 39 HE1 TRP 39 31.901 11.183 -18.104 298 HE3 TRP 39 HE3 TRP 39 28.245 10.029 -14.434 299 HZ2 TRP 39 HZ2 TRP 39 29.396 12.464 -18.610 300 HZ3 TRP 39 HZ3 TRP 39 26.549 11.437 -15.559 301 HH2 TRP 39 HH2 TRP 39 27.116 12.653 -17.644 302 H LYS 40 HN LYS 40 32.253 5.999 -15.182 303 HA LYS 40 HA LYS 40 31.994 6.341 -18.022 304 HB2 LYS 40 HB2 LYS 40 33.637 4.420 -16.358 305 HB3 LYS 40 HB1 LYS 40 33.701 4.491 -18.121 306 HG2 LYS 40 HG2 LYS 40 34.333 6.875 -18.005 307 HG3 LYS 40 HG1 LYS 40 34.287 6.801 -16.244 308 HD2 LYS 40 HD2 LYS 40 36.060 5.070 -16.280 309 HD3 LYS 40 HD1 LYS 40 36.117 5.181 -18.040 310 HE2 LYS 40 HE2 LYS 40 36.726 7.569 -17.868 311 HE3 LYS 40 HE1 LYS 40 36.683 7.449 -16.109 312 HZ1 LYS 40 HZ1 LYS 40 38.926 7.199 -17.211 313 HZ2 LYS 40 HZ2 LYS 40 38.381 5.685 -17.765 314 HZ3 LYS 40 HZ3 LYS 40 38.493 5.993 -16.098 315 H LYS 41 HN LYS 41 31.239 4.903 -19.539 316 HA LYS 41 HA LYS 41 29.289 2.941 -18.541 317 HB2 LYS 41 HB2 LYS 41 29.693 4.242 -21.247 318 HB3 LYS 41 HB1 LYS 41 28.517 2.961 -20.950 319 HG2 LYS 41 HG2 LYS 41 27.400 4.335 -19.262 320 HG3 LYS 41 HG1 LYS 41 28.600 5.610 -19.472 321 HD2 LYS 41 HD2 LYS 41 27.911 5.867 -21.830 322 HD3 LYS 41 HD1 LYS 41 26.709 4.592 -21.619 323 HE2 LYS 41 HE2 LYS 41 25.608 5.951 -19.856 324 HE3 LYS 41 HE1 LYS 41 26.787 7.232 -20.129 325 HZ1 LYS 41 HZ1 LYS 41 24.480 7.200 -21.359 326 HZ2 LYS 41 HZ2 LYS 41 25.328 6.206 -22.445 327 HZ3 LYS 41 HZ3 LYS 41 25.882 7.781 -22.120 328 H LYS 42 HN LYS 42 29.337 0.777 -19.168 329 HA LYS 42 HA LYS 42 31.931 -0.124 -20.224 330 HB2 LYS 42 HB2 LYS 42 29.754 -1.587 -18.722 331 HB3 LYS 42 HB1 LYS 42 31.148 -2.392 -19.437 332 HG2 LYS 42 HG2 LYS 42 32.657 -0.949 -18.109 333 HG3 LYS 42 HG1 LYS 42 31.256 -0.174 -17.371 334 HD2 LYS 42 HD2 LYS 42 30.532 -2.372 -16.476 335 HD3 LYS 42 HD1 LYS 42 31.970 -3.116 -17.179 336 HE2 LYS 42 HE2 LYS 42 33.401 -1.626 -15.819 337 HE3 LYS 42 HE1 LYS 42 31.960 -0.908 -15.100 338 HZ1 LYS 42 HZ1 LYS 42 32.854 -2.613 -13.667 339 HZ2 LYS 42 HZ2 LYS 42 32.771 -3.760 -14.917 340 HZ3 LYS 42 HZ3 LYS 42 31.344 -3.105 -14.267 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 42.017 -8.858 13.518 2 H2 MET 1 HT2 MET 1 43.466 -9.602 13.032 3 H3 MET 1 HT3 MET 1 43.460 -8.520 14.342 4 HA MET 1 HA MET 1 43.369 -11.175 14.601 5 HB2 MET 1 HB2 MET 1 42.166 -9.020 16.362 6 HB3 MET 1 HB1 MET 1 42.460 -10.675 16.898 7 HG2 MET 1 HG2 MET 1 44.858 -10.423 16.370 8 HG3 MET 1 HG1 MET 1 44.566 -8.767 15.838 9 HE1 MET 1 HE1 MET 1 46.587 -8.485 19.069 10 HE2 MET 1 HE2 MET 1 46.112 -7.344 17.813 11 HE3 MET 1 HE3 MET 1 46.639 -8.965 17.366 12 H ALA 2 HN ALA 2 40.573 -10.017 16.189 13 HA ALA 2 HA ALA 2 38.932 -12.114 15.241 14 HB1 ALA 2 HB1 ALA 2 37.202 -11.149 16.547 15 HB2 ALA 2 HB2 ALA 2 37.915 -9.540 16.444 16 HB3 ALA 2 HB3 ALA 2 38.694 -10.790 17.414 17 H GLU 3 HN GLU 3 39.239 -8.716 14.317 18 HA GLU 3 HA GLU 3 37.029 -8.727 12.500 19 HB2 GLU 3 HB2 GLU 3 39.406 -6.880 12.796 20 HB3 GLU 3 HB1 GLU 3 38.078 -6.599 11.668 21 HG2 GLU 3 HG2 GLU 3 36.475 -6.563 13.514 22 HG3 GLU 3 HG1 GLU 3 37.758 -6.939 14.664 23 H ALA 4 HN ALA 4 37.037 -8.889 10.254 24 HA ALA 4 HA ALA 4 38.844 -10.738 9.115 25 HB1 ALA 4 HB1 ALA 4 37.435 -8.941 7.246 26 HB2 ALA 4 HB2 ALA 4 36.398 -9.768 8.408 27 HB3 ALA 4 HB3 ALA 4 37.437 -10.702 7.335 28 H HIS 5 HN HIS 5 38.645 -7.210 8.983 29 HA HIS 5 HA HIS 5 41.299 -7.165 7.670 30 HB2 HIS 5 HB2 HIS 5 39.009 -5.200 7.447 31 HB3 HIS 5 HB1 HIS 5 40.624 -4.925 6.794 32 HD2 HIS 5 HD2 HIS 5 41.294 -6.554 4.538 33 HE1 HIS 5 HE1 HIS 5 37.427 -8.174 4.045 34 HE2 HIS 5 HE2 HIS 5 39.723 -7.948 2.986 35 H GLN 6 HN GLN 6 42.902 -6.190 8.752 36 HA GLN 6 HA GLN 6 42.549 -5.319 11.424 37 HB2 GLN 6 HB2 GLN 6 44.908 -4.669 11.319 38 HB3 GLN 6 HB1 GLN 6 44.671 -6.254 10.582 39 HG2 GLN 6 HG2 GLN 6 44.564 -5.138 8.342 40 HG3 GLN 6 HG1 GLN 6 44.956 -3.609 9.129 41 HE21 GLN 6 HE21 GLN 6 47.053 -3.382 8.131 42 HE22 GLN 6 HE22 GLN 6 48.341 -4.427 8.493 43 H ALA 7 HN ALA 7 42.832 -3.599 8.352 44 HA ALA 7 HA ALA 7 42.580 -1.020 9.734 45 HB1 ALA 7 HB1 ALA 7 42.636 -0.692 6.913 46 HB2 ALA 7 HB2 ALA 7 43.853 -1.899 7.327 47 HB3 ALA 7 HB3 ALA 7 43.903 -0.304 8.077 48 H VAL 8 HN VAL 8 40.927 0.463 9.222 49 HA VAL 8 HA VAL 8 38.534 -0.728 7.945 50 HB VAL 8 HB VAL 8 38.724 1.038 10.391 51 HG11 VAL 8 HG11 VAL 8 36.891 1.924 9.143 52 HG12 VAL 8 HG12 VAL 8 36.171 0.817 10.311 53 HG13 VAL 8 HG13 VAL 8 36.372 0.318 8.631 54 HG21 VAL 8 HG21 VAL 8 38.777 -1.699 10.153 55 HG22 VAL 8 HG22 VAL 8 37.051 -1.391 10.352 56 HG23 VAL 8 HG23 VAL 8 38.193 -0.832 11.574 57 H ALA 9 HN ALA 9 37.579 0.446 6.393 58 HA ALA 9 HA ALA 9 38.895 2.766 5.356 59 HB1 ALA 9 HB1 ALA 9 36.877 0.923 4.487 60 HB2 ALA 9 HB2 ALA 9 37.819 2.061 3.525 61 HB3 ALA 9 HB3 ALA 9 36.295 2.572 4.250 62 H PHE 10 HN PHE 10 35.910 2.210 7.193 63 HA PHE 10 HA PHE 10 35.923 5.060 7.858 64 HB2 PHE 10 HB2 PHE 10 33.271 4.792 7.610 65 HB3 PHE 10 HB1 PHE 10 34.307 5.391 6.325 66 HD1 PHE 10 HD1 PHE 10 34.235 1.788 7.355 67 HD2 PHE 10 HD2 PHE 10 32.893 4.727 4.521 68 HE1 PHE 10 HE1 PHE 10 33.506 -0.012 5.836 69 HE2 PHE 10 HE2 PHE 10 32.149 2.915 3.007 70 HZ PHE 10 HZ PHE 10 32.456 0.545 3.663 71 H GLN 11 HN GLN 11 35.312 5.601 9.864 72 HA GLN 11 HA GLN 11 34.129 3.488 11.574 73 HB2 GLN 11 HB2 GLN 11 36.409 5.355 12.247 74 HB3 GLN 11 HB1 GLN 11 35.536 4.405 13.447 75 HG2 GLN 11 HG2 GLN 11 36.162 2.334 12.293 76 HG3 GLN 11 HG1 GLN 11 36.986 3.265 11.045 77 HE21 GLN 11 HE21 GLN 11 37.549 1.578 13.894 78 HE22 GLN 11 HE22 GLN 11 39.009 2.317 14.348 79 H PHE 12 HN PHE 12 32.387 4.094 12.732 80 HA PHE 12 HA PHE 12 31.838 6.986 12.948 81 HB2 PHE 12 HB2 PHE 12 30.319 6.213 11.337 82 HB3 PHE 12 HB1 PHE 12 30.102 4.671 12.144 83 HD1 PHE 12 HD1 PHE 12 29.989 7.929 13.961 84 HD2 PHE 12 HD2 PHE 12 27.714 4.744 12.190 85 HE1 PHE 12 HE1 PHE 12 27.959 8.734 15.114 86 HE2 PHE 12 HE2 PHE 12 25.678 5.569 13.332 87 HZ PHE 12 HZ PHE 12 25.800 7.564 14.796 88 H THR 13 HN THR 13 31.726 7.628 15.017 89 HA THR 13 HA THR 13 30.765 5.676 17.043 90 HB THR 13 HB THR 13 32.725 7.722 17.889 91 HG1 THR 13 HG1 THR 13 33.619 5.307 16.762 92 HG21 THR 13 HG21 THR 13 32.404 4.778 18.511 93 HG22 THR 13 HG22 THR 13 31.635 6.080 19.420 94 HG23 THR 13 HG23 THR 13 33.393 5.939 19.398 95 H VAL 14 HN VAL 14 29.249 6.328 18.373 96 HA VAL 14 HA VAL 14 28.351 9.118 18.210 97 HB VAL 14 HB VAL 14 27.030 6.614 19.275 98 HG11 VAL 14 HG11 VAL 14 25.019 8.325 19.286 99 HG12 VAL 14 HG12 VAL 14 26.305 9.519 19.468 100 HG13 VAL 14 HG13 VAL 14 26.113 8.240 20.667 101 HG21 VAL 14 HG21 VAL 14 27.089 6.768 16.834 102 HG22 VAL 14 HG22 VAL 14 26.473 8.419 16.901 103 HG23 VAL 14 HG23 VAL 14 25.448 7.075 17.402 104 H THR 15 HN THR 15 28.785 10.527 19.844 105 HA THR 15 HA THR 15 29.445 9.365 22.481 106 HB THR 15 HB THR 15 31.294 10.685 22.690 107 HG1 THR 15 HG1 THR 15 31.295 12.770 22.156 108 HG21 THR 15 HG21 THR 15 31.005 10.899 19.685 109 HG22 THR 15 HG22 THR 15 31.486 9.417 20.510 110 HG23 THR 15 HG23 THR 15 32.503 10.854 20.616 111 HA PRO 16 HA PRO 16 26.226 11.811 24.273 112 HB2 PRO 16 HB2 PRO 16 28.241 13.122 26.032 113 HB3 PRO 16 HB1 PRO 16 26.756 12.259 26.470 114 HG2 PRO 16 HG2 PRO 16 29.226 11.217 26.787 115 HG3 PRO 16 HG1 PRO 16 27.781 10.238 26.499 116 HD2 PRO 16 HD2 PRO 16 30.043 10.788 24.682 117 HD3 PRO 16 HD1 PRO 16 28.840 9.480 24.640 118 H ASP 17 HN ASP 17 29.314 13.469 23.547 119 HA ASP 17 HA ASP 17 28.114 16.062 23.366 120 HB2 ASP 17 HB2 ASP 17 30.803 14.972 22.543 121 HB3 ASP 17 HB1 ASP 17 30.340 16.660 22.328 122 H GLY 18 HN GLY 18 28.332 13.376 21.111 123 HA2 GLY 18 HA2 GLY 18 26.681 14.418 19.229 124 HA3 GLY 18 HA1 GLY 18 28.238 15.099 18.776 125 H ILE 19 HN ILE 19 28.712 13.991 16.933 126 HA ILE 19 HA ILE 19 29.032 11.081 17.168 127 HB ILE 19 HB ILE 19 28.317 10.992 14.749 128 HG12 ILE 19 HG12 ILE 19 27.239 13.757 15.342 129 HG13 ILE 19 HG11 ILE 19 28.661 13.442 14.348 130 HG21 ILE 19 HG21 ILE 19 26.315 10.335 15.562 131 HG22 ILE 19 HG22 ILE 19 25.860 12.009 15.866 132 HG23 ILE 19 HG23 ILE 19 26.730 11.097 17.097 133 HD11 ILE 19 HD11 ILE 19 25.948 13.431 13.527 134 HD12 ILE 19 HD12 ILE 19 26.499 11.756 13.470 135 HD13 ILE 19 HD13 ILE 19 27.363 13.001 12.566 136 H ASP 20 HN ASP 20 30.711 10.263 15.994 137 HA ASP 20 HA ASP 20 32.620 12.215 14.843 138 HB2 ASP 20 HB2 ASP 20 33.168 9.755 16.518 139 HB3 ASP 20 HB1 ASP 20 34.413 10.615 15.612 140 H LEU 21 HN LEU 21 33.402 11.736 12.814 141 HA LEU 21 HA LEU 21 32.845 9.044 11.753 142 HB2 LEU 21 HB2 LEU 21 32.293 11.745 10.477 143 HB3 LEU 21 HB1 LEU 21 32.491 10.290 9.514 144 HG LEU 21 HG LEU 21 30.123 10.726 9.874 145 HD11 LEU 21 HD11 LEU 21 30.530 8.483 11.764 146 HD12 LEU 21 HD12 LEU 21 31.283 8.330 10.178 147 HD13 LEU 21 HD13 LEU 21 29.540 8.565 10.311 148 HD21 LEU 21 HD21 LEU 21 30.863 11.720 12.330 149 HD22 LEU 21 HD22 LEU 21 30.118 10.181 12.762 150 HD23 LEU 21 HD23 LEU 21 29.209 11.372 11.838 151 H ARG 22 HN ARG 22 34.724 8.183 11.177 152 HA ARG 22 HA ARG 22 36.887 9.974 10.212 153 HB2 ARG 22 HB2 ARG 22 37.088 7.550 11.992 154 HB3 ARG 22 HB1 ARG 22 38.479 8.295 11.206 155 HG2 ARG 22 HG2 ARG 22 37.987 10.428 12.317 156 HG3 ARG 22 HG1 ARG 22 36.560 9.718 13.075 157 HD2 ARG 22 HD2 ARG 22 37.987 8.083 14.241 158 HD3 ARG 22 HD1 ARG 22 39.414 8.779 13.478 159 HE ARG 22 HE ARG 22 38.100 10.864 14.788 160 HH11 ARG 22 HH21 ARG 22 39.617 7.843 15.530 161 HH12 ARG 22 HH22 ARG 22 40.126 8.330 17.113 162 HH21 ARG 22 HH11 ARG 22 38.765 11.509 16.861 163 HH22 ARG 22 HH12 ARG 22 39.643 10.406 17.866 164 H LEU 23 HN LEU 23 37.986 9.439 8.396 165 HA LEU 23 HA LEU 23 37.524 6.769 7.273 166 HB2 LEU 23 HB2 LEU 23 37.120 9.357 5.751 167 HB3 LEU 23 HB1 LEU 23 37.074 7.735 5.059 168 HG LEU 23 HG LEU 23 35.281 7.397 7.040 169 HD11 LEU 23 HD11 LEU 23 34.632 10.193 6.161 170 HD12 LEU 23 HD12 LEU 23 35.715 9.951 7.531 171 HD13 LEU 23 HD13 LEU 23 34.071 9.315 7.584 172 HD21 LEU 23 HD21 LEU 23 34.894 6.946 4.659 173 HD22 LEU 23 HD22 LEU 23 34.746 8.674 4.341 174 HD23 LEU 23 HD23 LEU 23 33.537 7.854 5.328 175 H SER 24 HN SER 24 39.273 5.939 6.332 176 HA SER 24 HA SER 24 41.785 7.310 6.546 177 HB2 SER 24 HB2 SER 24 40.951 4.598 5.549 178 HB3 SER 24 HB1 SER 24 42.604 5.174 5.351 179 HG SER 24 HG SER 24 41.139 4.657 7.701 180 H HIS 25 HN HIS 25 43.215 7.833 4.895 181 HA HIS 25 HA HIS 25 42.156 9.150 2.652 182 HB2 HIS 25 HB2 HIS 25 44.948 8.144 3.241 183 HB3 HIS 25 HB1 HIS 25 44.551 9.127 1.832 184 HD2 HIS 25 HD2 HIS 25 44.104 11.866 2.386 185 HE1 HIS 25 HE1 HIS 25 44.770 11.614 6.547 186 HE2 HIS 25 HE2 HIS 25 44.425 13.210 4.602 187 H GLU 26 HN GLU 26 43.124 5.888 3.206 188 HA GLU 26 HA GLU 26 43.345 5.009 0.498 189 HB2 GLU 26 HB2 GLU 26 42.732 3.514 3.059 190 HB3 GLU 26 HB1 GLU 26 43.001 2.730 1.499 191 HG2 GLU 26 HG2 GLU 26 45.221 3.724 1.340 192 HG3 GLU 26 HG1 GLU 26 44.962 4.601 2.848 193 H ALA 27 HN ALA 27 40.726 5.345 2.831 194 HA ALA 27 HA ALA 27 38.748 3.838 1.402 195 HB1 ALA 27 HB1 ALA 27 37.105 4.801 2.849 196 HB2 ALA 27 HB2 ALA 27 38.073 6.254 3.096 197 HB3 ALA 27 HB3 ALA 27 38.572 4.733 3.830 198 H LEU 28 HN LEU 28 39.935 7.099 1.267 199 HA LEU 28 HA LEU 28 37.891 8.158 -0.428 200 HB2 LEU 28 HB2 LEU 28 40.738 9.122 -0.020 201 HB3 LEU 28 HB1 LEU 28 39.514 10.002 -0.929 202 HG LEU 28 HG LEU 28 39.164 9.143 1.958 203 HD11 LEU 28 HD11 LEU 28 39.334 11.949 1.789 204 HD12 LEU 28 HD12 LEU 28 40.696 11.332 0.853 205 HD13 LEU 28 HD13 LEU 28 40.495 10.855 2.540 206 HD21 LEU 28 HD21 LEU 28 37.006 9.569 1.298 207 HD22 LEU 28 HD22 LEU 28 37.499 10.601 -0.042 208 HD23 LEU 28 HD23 LEU 28 37.494 11.234 1.602 209 H ARG 29 HN ARG 29 41.016 6.685 -1.030 210 HA ARG 29 HA ARG 29 41.197 7.175 -3.782 211 HB2 ARG 29 HB2 ARG 29 42.297 4.933 -2.072 212 HB3 ARG 29 HB1 ARG 29 42.689 5.096 -3.783 213 HG2 ARG 29 HG2 ARG 29 43.560 7.368 -3.369 214 HG3 ARG 29 HG1 ARG 29 43.170 7.203 -1.655 215 HD2 ARG 29 HD2 ARG 29 44.693 5.264 -1.503 216 HD3 ARG 29 HD1 ARG 29 45.079 5.440 -3.213 217 HE ARG 29 HE ARG 29 45.598 7.899 -2.011 218 HH11 ARG 29 HH21 ARG 29 46.657 4.616 -1.843 219 HH12 ARG 29 HH22 ARG 29 48.274 5.017 -1.369 220 HH21 ARG 29 HH11 ARG 29 47.705 8.441 -1.386 221 HH22 ARG 29 HH12 ARG 29 48.873 7.192 -1.109 222 H GLN 30 HN GLN 30 39.703 4.415 -2.051 223 HA GLN 30 HA GLN 30 38.994 2.983 -4.435 224 HB2 GLN 30 HB2 GLN 30 37.846 2.865 -1.626 225 HB3 GLN 30 HB1 GLN 30 37.354 1.774 -2.923 226 HG2 GLN 30 HG2 GLN 30 39.697 1.041 -3.190 227 HG3 GLN 30 HG1 GLN 30 40.178 2.135 -1.895 228 HE21 GLN 30 HE21 GLN 30 40.904 -0.236 -1.115 229 HE22 GLN 30 HE22 GLN 30 39.767 -1.020 -0.127 230 H ILE 31 HN ILE 31 37.324 5.347 -2.375 231 HA ILE 31 HA ILE 31 34.809 5.094 -3.677 232 HB ILE 31 HB ILE 31 35.964 7.392 -2.096 233 HG12 ILE 31 HG12 ILE 31 33.802 5.395 -1.384 234 HG13 ILE 31 HG11 ILE 31 35.501 5.130 -1.013 235 HG21 ILE 31 HG21 ILE 31 33.330 7.072 -3.496 236 HG22 ILE 31 HG22 ILE 31 34.309 8.523 -3.270 237 HG23 ILE 31 HG23 ILE 31 33.366 7.877 -1.928 238 HD11 ILE 31 HD11 ILE 31 35.569 7.182 0.317 239 HD12 ILE 31 HD12 ILE 31 34.263 6.149 0.900 240 HD13 ILE 31 HD13 ILE 31 33.900 7.542 -0.118 241 H TYR 32 HN TYR 32 37.457 7.484 -4.296 242 HA TYR 32 HA TYR 32 36.013 8.901 -6.280 243 HB2 TYR 32 HB2 TYR 32 38.023 9.850 -5.310 244 HB3 TYR 32 HB1 TYR 32 39.001 8.531 -5.953 245 HD1 TYR 32 HD2 TYR 32 36.756 11.338 -6.960 246 HD2 TYR 32 HD1 TYR 32 39.865 8.624 -8.152 247 HE1 TYR 32 HE2 TYR 32 37.010 12.566 -9.098 248 HE2 TYR 32 HE1 TYR 32 40.117 9.851 -10.291 249 HH TYR 32 HH TYR 32 38.292 11.451 -11.708 250 H LEU 33 HN LEU 33 38.353 6.234 -6.559 251 HA LEU 33 HA LEU 33 38.259 6.022 -9.369 252 HB2 LEU 33 HB2 LEU 33 38.910 3.986 -7.233 253 HB3 LEU 33 HB1 LEU 33 39.108 3.679 -8.957 254 HG LEU 33 HG LEU 33 40.402 5.991 -7.476 255 HD11 LEU 33 HD11 LEU 33 42.473 4.703 -7.584 256 HD12 LEU 33 HD12 LEU 33 41.639 3.384 -8.405 257 HD13 LEU 33 HD13 LEU 33 41.246 3.767 -6.729 258 HD21 LEU 33 HD21 LEU 33 40.648 6.733 -9.611 259 HD22 LEU 33 HD22 LEU 33 40.222 5.169 -10.306 260 HD23 LEU 33 HD23 LEU 33 41.867 5.468 -9.751 261 H SER 34 HN SER 34 36.314 4.384 -6.845 262 HA SER 34 HA SER 34 34.921 2.636 -8.558 263 HB2 SER 34 HB2 SER 34 33.202 2.580 -6.784 264 HB3 SER 34 HB1 SER 34 34.827 2.432 -6.118 265 HG SER 34 HG SER 34 34.600 4.879 -5.997 266 H GLY 35 HN GLY 35 34.424 6.012 -7.737 267 HA2 GLY 35 HA2 GLY 35 31.890 6.291 -9.039 268 HA3 GLY 35 HA1 GLY 35 32.954 7.605 -8.537 269 H LEU 36 HN LEU 36 35.251 6.760 -9.940 270 HA LEU 36 HA LEU 36 34.891 8.030 -12.402 271 HB2 LEU 36 HB2 LEU 36 37.069 7.869 -11.262 272 HB3 LEU 36 HB1 LEU 36 37.093 6.131 -11.550 273 HG LEU 36 HG LEU 36 37.085 6.527 -13.989 274 HD11 LEU 36 HD11 LEU 36 37.667 9.065 -14.533 275 HD12 LEU 36 HD12 LEU 36 36.735 9.351 -13.064 276 HD13 LEU 36 HD13 LEU 36 35.992 8.522 -14.431 277 HD21 LEU 36 HD21 LEU 36 39.236 6.407 -12.745 278 HD22 LEU 36 HD22 LEU 36 39.202 8.161 -12.557 279 HD23 LEU 36 HD23 LEU 36 39.348 7.449 -14.164 280 H HIS 37 HN HIS 37 34.866 4.614 -11.524 281 HA HIS 37 HA HIS 37 34.703 3.670 -14.240 282 HB2 HIS 37 HB2 HIS 37 34.163 2.310 -11.589 283 HB3 HIS 37 HB1 HIS 37 34.149 1.491 -13.151 284 HD2 HIS 37 HD2 HIS 37 36.666 2.267 -10.436 285 HE1 HIS 37 HE1 HIS 37 38.950 1.762 -13.950 286 HE2 HIS 37 HE2 HIS 37 39.064 1.954 -11.420 287 H SER 38 HN SER 38 32.510 4.711 -11.775 288 HA SER 38 HA SER 38 30.114 3.529 -12.755 289 HB2 SER 38 HB2 SER 38 30.288 6.156 -11.281 290 HB3 SER 38 HB1 SER 38 28.970 4.989 -11.271 291 HG SER 38 HG SER 38 31.267 3.801 -10.548 292 H TRP 39 HN TRP 39 32.151 5.782 -14.183 293 HA TRP 39 HA TRP 39 30.271 7.585 -15.301 294 HB2 TRP 39 HB2 TRP 39 32.576 8.218 -15.263 295 HB3 TRP 39 HB1 TRP 39 33.056 6.759 -16.129 296 HD1 TRP 39 HD1 TRP 39 33.189 6.926 -18.666 297 HE1 TRP 39 HE1 TRP 39 32.413 8.632 -20.437 298 HE3 TRP 39 HE3 TRP 39 30.500 10.106 -15.710 299 HZ2 TRP 39 HZ2 TRP 39 30.858 11.029 -20.581 300 HZ3 TRP 39 HZ3 TRP 39 29.384 12.090 -16.688 301 HH2 TRP 39 HH2 TRP 39 29.560 12.556 -19.118 302 H LYS 40 HN LYS 40 31.536 4.456 -16.309 303 HA LYS 40 HA LYS 40 30.954 3.039 -18.022 304 HB2 LYS 40 HB2 LYS 40 28.769 3.185 -16.850 305 HB3 LYS 40 HB1 LYS 40 28.330 4.543 -17.887 306 HG2 LYS 40 HG2 LYS 40 28.544 3.125 -19.878 307 HG3 LYS 40 HG1 LYS 40 29.051 1.766 -18.873 308 HD2 LYS 40 HD2 LYS 40 26.880 1.835 -17.692 309 HD3 LYS 40 HD1 LYS 40 26.371 3.178 -18.715 310 HE2 LYS 40 HE2 LYS 40 26.610 1.759 -20.714 311 HE3 LYS 40 HE1 LYS 40 27.139 0.415 -19.702 312 HZ1 LYS 40 HZ1 LYS 40 24.697 0.510 -20.358 313 HZ2 LYS 40 HZ2 LYS 40 24.559 1.775 -19.231 314 HZ3 LYS 40 HZ3 LYS 40 25.053 0.230 -18.724 315 H LYS 41 HN LYS 41 32.258 3.609 -19.706 316 HA LYS 41 HA LYS 41 31.764 5.949 -21.315 317 HB2 LYS 41 HB2 LYS 41 33.632 3.596 -21.672 318 HB3 LYS 41 HB1 LYS 41 33.587 4.995 -22.745 319 HG2 LYS 41 HG2 LYS 41 34.090 6.479 -20.840 320 HG3 LYS 41 HG1 LYS 41 34.135 5.082 -19.763 321 HD2 LYS 41 HD2 LYS 41 35.998 4.128 -21.066 322 HD3 LYS 41 HD1 LYS 41 35.955 5.520 -22.149 323 HE2 LYS 41 HE2 LYS 41 36.462 7.017 -20.257 324 HE3 LYS 41 HE1 LYS 41 36.496 5.631 -19.167 325 HZ1 LYS 41 HZ1 LYS 41 38.340 4.722 -20.363 326 HZ2 LYS 41 HZ2 LYS 41 38.715 6.324 -19.942 327 HZ3 LYS 41 HZ3 LYS 41 38.258 5.947 -21.534 328 H LYS 42 HN LYS 42 30.881 6.061 -23.351 329 HA LYS 42 HA LYS 42 28.900 4.142 -24.036 330 HB2 LYS 42 HB2 LYS 42 28.762 6.557 -24.618 331 HB3 LYS 42 HB1 LYS 42 30.079 6.327 -25.770 332 HG2 LYS 42 HG2 LYS 42 28.736 4.692 -27.014 333 HG3 LYS 42 HG1 LYS 42 27.427 4.854 -25.842 334 HD2 LYS 42 HD2 LYS 42 27.211 7.247 -26.414 335 HD3 LYS 42 HD1 LYS 42 28.507 7.077 -27.600 336 HE2 LYS 42 HE2 LYS 42 27.171 5.419 -28.838 337 HE3 LYS 42 HE1 LYS 42 25.877 5.567 -27.647 338 HZ1 LYS 42 HZ1 LYS 42 26.763 8.078 -28.748 339 HZ2 LYS 42 HZ2 LYS 42 25.187 7.485 -28.522 340 HZ3 LYS 42 HZ3 LYS 42 26.079 7.034 -29.896 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 52.423 -10.737 19.598 2 H2 MET 1 HT2 MET 1 53.508 -10.173 18.420 3 H3 MET 1 HT3 MET 1 53.298 -11.842 18.656 4 HA MET 1 HA MET 1 51.491 -9.909 17.362 5 HB2 MET 1 HB2 MET 1 52.576 -12.668 16.727 6 HB3 MET 1 HB1 MET 1 51.311 -11.898 15.774 7 HG2 MET 1 HG2 MET 1 54.057 -10.711 16.273 8 HG3 MET 1 HG1 MET 1 53.588 -11.561 14.804 9 HE1 MET 1 HE1 MET 1 50.410 -10.219 14.180 10 HE2 MET 1 HE2 MET 1 51.744 -11.127 13.476 11 HE3 MET 1 HE3 MET 1 51.365 -9.519 12.867 12 H ALA 2 HN ALA 2 51.284 -11.443 20.095 13 HA ALA 2 HA ALA 2 49.227 -13.348 19.884 14 HB1 ALA 2 HB1 ALA 2 49.513 -13.474 22.104 15 HB2 ALA 2 HB2 ALA 2 49.014 -11.796 22.320 16 HB3 ALA 2 HB3 ALA 2 50.699 -12.175 21.961 17 H GLU 3 HN GLU 3 49.092 -9.818 20.257 18 HA GLU 3 HA GLU 3 46.233 -9.752 20.517 19 HB2 GLU 3 HB2 GLU 3 48.240 -7.587 19.868 20 HB3 GLU 3 HB1 GLU 3 46.517 -7.302 20.121 21 HG2 GLU 3 HG2 GLU 3 46.683 -8.255 22.383 22 HG3 GLU 3 HG1 GLU 3 48.403 -8.556 22.134 23 H ALA 4 HN ALA 4 44.710 -9.613 18.988 24 HA ALA 4 HA ALA 4 45.331 -10.167 16.264 25 HB1 ALA 4 HB1 ALA 4 43.243 -10.949 17.112 26 HB2 ALA 4 HB2 ALA 4 42.853 -9.682 15.949 27 HB3 ALA 4 HB3 ALA 4 42.793 -9.342 17.680 28 H HIS 5 HN HIS 5 45.217 -8.827 14.442 29 HA HIS 5 HA HIS 5 44.940 -5.924 14.948 30 HB2 HIS 5 HB2 HIS 5 47.366 -6.760 14.744 31 HB3 HIS 5 HB1 HIS 5 46.988 -7.048 13.046 32 HD2 HIS 5 HD2 HIS 5 47.151 -3.953 15.522 33 HE1 HIS 5 HE1 HIS 5 47.364 -2.536 11.551 34 HE2 HIS 5 HE2 HIS 5 47.522 -1.868 13.996 35 H GLN 6 HN GLN 6 43.579 -4.941 13.582 36 HA GLN 6 HA GLN 6 43.121 -6.129 10.922 37 HB2 GLN 6 HB2 GLN 6 40.983 -5.265 12.883 38 HB3 GLN 6 HB1 GLN 6 40.685 -5.625 11.183 39 HG2 GLN 6 HG2 GLN 6 41.539 -7.908 11.496 40 HG3 GLN 6 HG1 GLN 6 41.890 -7.556 13.188 41 HE21 GLN 6 HE21 GLN 6 40.262 -9.572 13.237 42 HE22 GLN 6 HE22 GLN 6 38.625 -9.156 13.404 43 H ALA 7 HN ALA 7 42.427 -4.656 9.327 44 HA ALA 7 HA ALA 7 43.097 -1.852 9.951 45 HB1 ALA 7 HB1 ALA 7 44.266 -3.300 8.095 46 HB2 ALA 7 HB2 ALA 7 43.848 -1.620 7.761 47 HB3 ALA 7 HB3 ALA 7 42.817 -2.920 7.164 48 H VAL 8 HN VAL 8 41.593 -0.295 9.797 49 HA VAL 8 HA VAL 8 38.970 -1.000 8.611 50 HB VAL 8 HB VAL 8 37.975 0.577 10.233 51 HG11 VAL 8 HG11 VAL 8 38.177 -1.836 10.800 52 HG12 VAL 8 HG12 VAL 8 38.271 -0.809 12.231 53 HG13 VAL 8 HG13 VAL 8 39.740 -1.510 11.552 54 HG21 VAL 8 HG21 VAL 8 39.545 1.217 12.178 55 HG22 VAL 8 HG22 VAL 8 39.721 2.122 10.673 56 HG23 VAL 8 HG23 VAL 8 40.866 0.840 11.071 57 H ALA 9 HN ALA 9 38.283 0.261 6.975 58 HA ALA 9 HA ALA 9 39.933 2.533 6.183 59 HB1 ALA 9 HB1 ALA 9 38.670 0.592 4.736 60 HB2 ALA 9 HB2 ALA 9 39.207 2.138 4.080 61 HB3 ALA 9 HB3 ALA 9 37.532 1.933 4.591 62 H PHE 10 HN PHE 10 36.789 1.901 7.579 63 HA PHE 10 HA PHE 10 36.453 4.785 7.891 64 HB2 PHE 10 HB2 PHE 10 34.257 4.913 7.063 65 HB3 PHE 10 HB1 PHE 10 35.164 4.028 5.851 66 HD1 PHE 10 HD1 PHE 10 35.175 1.318 7.493 67 HD2 PHE 10 HD2 PHE 10 32.100 4.113 6.401 68 HE1 PHE 10 HE1 PHE 10 33.497 -0.479 7.628 69 HE2 PHE 10 HE2 PHE 10 30.420 2.298 6.531 70 HZ PHE 10 HZ PHE 10 31.118 0.002 7.145 71 H GLN 11 HN GLN 11 35.765 5.410 9.843 72 HA GLN 11 HA GLN 11 34.555 3.361 11.616 73 HB2 GLN 11 HB2 GLN 11 36.717 5.360 12.287 74 HB3 GLN 11 HB1 GLN 11 35.831 4.436 13.495 75 HG2 GLN 11 HG2 GLN 11 36.596 2.342 12.468 76 HG3 GLN 11 HG1 GLN 11 37.454 3.252 11.226 77 HE21 GLN 11 HE21 GLN 11 37.834 1.797 14.273 78 HE22 GLN 11 HE22 GLN 11 39.272 2.572 14.735 79 H PHE 12 HN PHE 12 32.722 3.949 12.625 80 HA PHE 12 HA PHE 12 32.023 6.822 12.649 81 HB2 PHE 12 HB2 PHE 12 30.601 5.893 11.052 82 HB3 PHE 12 HB1 PHE 12 30.463 4.367 11.906 83 HD1 PHE 12 HD1 PHE 12 30.049 7.698 13.552 84 HD2 PHE 12 HD2 PHE 12 28.086 4.250 11.899 85 HE1 PHE 12 HE1 PHE 12 27.918 8.398 14.607 86 HE2 PHE 12 HE2 PHE 12 25.955 4.967 12.935 87 HZ PHE 12 HZ PHE 12 25.867 7.036 14.285 88 H THR 13 HN THR 13 31.791 7.575 14.678 89 HA THR 13 HA THR 13 30.903 5.702 16.794 90 HB THR 13 HB THR 13 32.399 7.311 18.242 91 HG1 THR 13 HG1 THR 13 34.317 7.605 16.694 92 HG21 THR 13 HG21 THR 13 32.940 5.034 18.268 93 HG22 THR 13 HG22 THR 13 34.388 5.760 17.569 94 HG23 THR 13 HG23 THR 13 33.201 4.983 16.524 95 H VAL 14 HN VAL 14 29.260 6.329 18.028 96 HA VAL 14 HA VAL 14 28.215 9.046 17.654 97 HB VAL 14 HB VAL 14 26.993 6.608 18.972 98 HG11 VAL 14 HG11 VAL 14 25.779 8.261 19.993 99 HG12 VAL 14 HG12 VAL 14 24.929 8.280 18.449 100 HG13 VAL 14 HG13 VAL 14 26.195 9.463 18.774 101 HG21 VAL 14 HG21 VAL 14 27.302 6.541 16.462 102 HG22 VAL 14 HG22 VAL 14 26.274 7.968 16.365 103 HG23 VAL 14 HG23 VAL 14 25.621 6.456 16.991 104 H THR 15 HN THR 15 28.563 10.578 19.175 105 HA THR 15 HA THR 15 29.285 9.657 21.891 106 HB THR 15 HB THR 15 30.364 12.122 21.808 107 HG1 THR 15 HG1 THR 15 30.257 12.761 19.813 108 HG21 THR 15 HG21 THR 15 31.473 9.458 20.938 109 HG22 THR 15 HG22 THR 15 31.713 10.307 22.467 110 HG23 THR 15 HG23 THR 15 32.500 10.889 20.998 111 HA PRO 16 HA PRO 16 25.840 11.923 23.401 112 HB2 PRO 16 HB2 PRO 16 27.193 13.409 25.434 113 HB3 PRO 16 HB1 PRO 16 26.270 11.912 25.628 114 HG2 PRO 16 HG2 PRO 16 29.139 12.315 25.625 115 HG3 PRO 16 HG1 PRO 16 28.203 10.899 26.118 116 HD2 PRO 16 HD2 PRO 16 29.779 11.084 23.813 117 HD3 PRO 16 HD1 PRO 16 28.534 9.858 24.123 118 H ASP 17 HN ASP 17 28.834 13.599 22.585 119 HA ASP 17 HA ASP 17 27.541 16.189 22.465 120 HB2 ASP 17 HB2 ASP 17 30.299 15.227 21.690 121 HB3 ASP 17 HB1 ASP 17 29.756 16.892 21.496 122 H GLY 18 HN GLY 18 27.925 13.446 20.321 123 HA2 GLY 18 HA2 GLY 18 26.257 14.315 18.371 124 HA3 GLY 18 HA1 GLY 18 27.788 15.043 17.902 125 H ILE 19 HN ILE 19 28.340 13.864 16.125 126 HA ILE 19 HA ILE 19 28.781 10.987 16.509 127 HB ILE 19 HB ILE 19 28.171 10.738 14.077 128 HG12 ILE 19 HG12 ILE 19 26.915 13.468 14.440 129 HG13 ILE 19 HG11 ILE 19 28.431 13.205 13.581 130 HG21 ILE 19 HG21 ILE 19 26.607 10.246 16.023 131 HG22 ILE 19 HG22 ILE 19 25.813 10.579 14.483 132 HG23 ILE 19 HG23 ILE 19 25.884 11.825 15.730 133 HD11 ILE 19 HD11 ILE 19 27.396 12.008 11.849 134 HD12 ILE 19 HD12 ILE 19 26.220 13.273 12.203 135 HD13 ILE 19 HD13 ILE 19 25.971 11.643 12.820 136 H ASP 20 HN ASP 20 30.561 10.209 15.417 137 HA ASP 20 HA ASP 20 32.358 12.205 14.170 138 HB2 ASP 20 HB2 ASP 20 33.031 10.133 16.257 139 HB3 ASP 20 HB1 ASP 20 34.259 10.839 15.210 140 H LEU 21 HN LEU 21 33.456 11.530 12.347 141 HA LEU 21 HA LEU 21 33.225 8.701 11.626 142 HB2 LEU 21 HB2 LEU 21 32.433 11.028 9.858 143 HB3 LEU 21 HB1 LEU 21 32.597 9.361 9.309 144 HG LEU 21 HG LEU 21 30.941 8.966 11.411 145 HD11 LEU 21 HD11 LEU 21 31.008 11.560 11.685 146 HD12 LEU 21 HD12 LEU 21 29.445 10.744 11.767 147 HD13 LEU 21 HD13 LEU 21 29.931 11.571 10.287 148 HD21 LEU 21 HD21 LEU 21 30.416 8.140 9.231 149 HD22 LEU 21 HD22 LEU 21 30.293 9.769 8.568 150 HD23 LEU 21 HD23 LEU 21 29.064 9.178 9.685 151 H ARG 22 HN ARG 22 35.127 7.974 11.157 152 HA ARG 22 HA ARG 22 37.184 9.832 10.094 153 HB2 ARG 22 HB2 ARG 22 37.467 7.482 11.957 154 HB3 ARG 22 HB1 ARG 22 38.838 8.237 11.155 155 HG2 ARG 22 HG2 ARG 22 38.288 10.388 12.181 156 HG3 ARG 22 HG1 ARG 22 36.853 9.687 12.927 157 HD2 ARG 22 HD2 ARG 22 38.243 8.162 14.238 158 HD3 ARG 22 HD1 ARG 22 39.696 8.771 13.448 159 HE ARG 22 HE ARG 22 38.465 10.992 14.545 160 HH11 ARG 22 HH21 ARG 22 39.657 7.937 15.654 161 HH12 ARG 22 HH22 ARG 22 40.112 8.527 17.217 162 HH21 ARG 22 HH11 ARG 22 39.058 11.771 16.587 163 HH22 ARG 22 HH12 ARG 22 39.774 10.702 17.744 164 H LEU 23 HN LEU 23 38.303 9.302 8.283 165 HA LEU 23 HA LEU 23 37.970 6.583 7.234 166 HB2 LEU 23 HB2 LEU 23 37.406 9.128 5.696 167 HB3 LEU 23 HB1 LEU 23 37.514 7.517 4.987 168 HG LEU 23 HG LEU 23 35.724 7.073 7.003 169 HD11 LEU 23 HD11 LEU 23 34.209 8.898 7.197 170 HD12 LEU 23 HD12 LEU 23 34.981 9.776 5.878 171 HD13 LEU 23 HD13 LEU 23 35.813 9.602 7.422 172 HD21 LEU 23 HD21 LEU 23 35.456 6.352 4.700 173 HD22 LEU 23 HD22 LEU 23 35.224 8.017 4.167 174 HD23 LEU 23 HD23 LEU 23 34.008 7.238 5.180 175 H SER 24 HN SER 24 39.764 5.820 6.313 176 HA SER 24 HA SER 24 42.190 7.352 6.466 177 HB2 SER 24 HB2 SER 24 43.305 5.372 5.988 178 HB3 SER 24 HB1 SER 24 41.828 4.776 6.739 179 HG SER 24 HG SER 24 41.727 3.687 4.922 180 H HIS 25 HN HIS 25 43.605 7.823 4.730 181 HA HIS 25 HA HIS 25 42.434 9.082 2.503 182 HB2 HIS 25 HB2 HIS 25 45.264 8.092 2.935 183 HB3 HIS 25 HB1 HIS 25 44.767 9.110 1.584 184 HD2 HIS 25 HD2 HIS 25 42.714 10.703 4.118 185 HE1 HIS 25 HE1 HIS 25 46.519 12.346 4.907 186 HE2 HIS 25 HE2 HIS 25 44.027 12.617 5.302 187 H GLU 26 HN GLU 26 43.459 5.846 3.095 188 HA GLU 26 HA GLU 26 43.560 4.936 0.395 189 HB2 GLU 26 HB2 GLU 26 44.602 3.688 2.262 190 HB3 GLU 26 HB1 GLU 26 42.999 3.346 2.914 191 HG2 GLU 26 HG2 GLU 26 42.393 2.148 0.859 192 HG3 GLU 26 HG1 GLU 26 43.962 2.533 0.156 193 H ALA 27 HN ALA 27 41.021 5.112 2.849 194 HA ALA 27 HA ALA 27 39.013 3.685 1.478 195 HB1 ALA 27 HB1 ALA 27 37.870 5.852 2.974 196 HB2 ALA 27 HB2 ALA 27 39.221 5.174 3.881 197 HB3 ALA 27 HB3 ALA 27 37.891 4.136 3.367 198 H LEU 28 HN LEU 28 40.155 6.934 1.294 199 HA LEU 28 HA LEU 28 38.038 8.011 -0.300 200 HB2 LEU 28 HB2 LEU 28 40.876 8.957 0.159 201 HB3 LEU 28 HB1 LEU 28 39.629 9.904 -0.652 202 HG LEU 28 HG LEU 28 39.360 8.786 2.159 203 HD11 LEU 28 HD11 LEU 28 40.963 10.936 1.361 204 HD12 LEU 28 HD12 LEU 28 40.392 10.598 2.995 205 HD13 LEU 28 HD13 LEU 28 39.478 11.684 1.948 206 HD21 LEU 28 HD21 LEU 28 37.172 9.157 1.541 207 HD22 LEU 28 HD22 LEU 28 37.599 10.370 0.337 208 HD23 LEU 28 HD23 LEU 28 37.585 10.794 2.047 209 H ARG 29 HN ARG 29 41.172 6.580 -0.979 210 HA ARG 29 HA ARG 29 41.297 7.098 -3.738 211 HB2 ARG 29 HB2 ARG 29 43.193 6.278 -2.330 212 HB3 ARG 29 HB1 ARG 29 42.398 4.708 -2.238 213 HG2 ARG 29 HG2 ARG 29 42.493 4.527 -4.713 214 HG3 ARG 29 HG1 ARG 29 43.345 6.072 -4.776 215 HD2 ARG 29 HD2 ARG 29 45.110 5.105 -3.293 216 HD3 ARG 29 HD1 ARG 29 44.290 3.552 -3.388 217 HE ARG 29 HE ARG 29 45.041 3.324 -5.600 218 HH11 ARG 29 HH21 ARG 29 45.724 6.456 -4.290 219 HH12 ARG 29 HH22 ARG 29 46.828 6.892 -5.549 220 HH21 ARG 29 HH11 ARG 29 46.489 3.894 -7.254 221 HH22 ARG 29 HH12 ARG 29 47.254 5.448 -7.230 222 H GLN 30 HN GLN 30 39.838 4.406 -1.935 223 HA GLN 30 HA GLN 30 39.127 2.889 -4.248 224 HB2 GLN 30 HB2 GLN 30 38.920 2.628 -1.404 225 HB3 GLN 30 HB1 GLN 30 37.335 2.327 -2.115 226 HG2 GLN 30 HG2 GLN 30 38.596 0.238 -2.022 227 HG3 GLN 30 HG1 GLN 30 38.385 0.724 -3.703 228 HE21 GLN 30 HE21 GLN 30 40.325 -0.217 -4.551 229 HE22 GLN 30 HE22 GLN 30 41.874 0.286 -4.071 230 H ILE 31 HN ILE 31 37.436 5.213 -2.189 231 HA ILE 31 HA ILE 31 34.936 4.946 -3.436 232 HB ILE 31 HB ILE 31 36.153 7.182 -1.830 233 HG12 ILE 31 HG12 ILE 31 35.438 4.784 -0.953 234 HG13 ILE 31 HG11 ILE 31 35.047 6.228 -0.019 235 HG21 ILE 31 HG21 ILE 31 33.460 6.952 -3.162 236 HG22 ILE 31 HG22 ILE 31 34.550 8.337 -3.105 237 HG23 ILE 31 HG23 ILE 31 33.645 7.871 -1.666 238 HD11 ILE 31 HD11 ILE 31 33.146 4.512 -0.441 239 HD12 ILE 31 HD12 ILE 31 33.117 5.152 -2.081 240 HD13 ILE 31 HD13 ILE 31 32.792 6.215 -0.717 241 H TYR 32 HN TYR 32 37.575 7.307 -4.149 242 HA TYR 32 HA TYR 32 36.074 8.717 -6.091 243 HB2 TYR 32 HB2 TYR 32 38.104 9.680 -5.200 244 HB3 TYR 32 HB1 TYR 32 39.066 8.341 -5.829 245 HD1 TYR 32 HD2 TYR 32 36.792 11.115 -6.867 246 HD2 TYR 32 HD1 TYR 32 39.903 8.396 -8.046 247 HE1 TYR 32 HE2 TYR 32 37.006 12.301 -9.034 248 HE2 TYR 32 HE1 TYR 32 40.116 9.583 -10.217 249 HH TYR 32 HH TYR 32 38.885 12.602 -10.789 250 H LEU 33 HN LEU 33 38.364 5.998 -6.431 251 HA LEU 33 HA LEU 33 38.154 5.769 -9.235 252 HB2 LEU 33 HB2 LEU 33 38.758 3.688 -7.122 253 HB3 LEU 33 HB1 LEU 33 38.913 3.398 -8.851 254 HG LEU 33 HG LEU 33 40.373 5.575 -7.322 255 HD11 LEU 33 HD11 LEU 33 41.261 2.853 -8.309 256 HD12 LEU 33 HD12 LEU 33 41.234 3.425 -6.642 257 HD13 LEU 33 HD13 LEU 33 42.377 4.116 -7.793 258 HD21 LEU 33 HD21 LEU 33 40.487 6.405 -9.455 259 HD22 LEU 33 HD22 LEU 33 40.120 4.847 -10.193 260 HD23 LEU 33 HD23 LEU 33 41.754 5.191 -9.630 261 H SER 34 HN SER 34 36.283 4.196 -6.620 262 HA SER 34 HA SER 34 34.685 2.565 -8.280 263 HB2 SER 34 HB2 SER 34 33.904 3.821 -5.640 264 HB3 SER 34 HB1 SER 34 33.170 2.405 -6.386 265 HG SER 34 HG SER 34 34.653 1.332 -5.369 266 H GLY 35 HN GLY 35 34.420 5.898 -7.235 267 HA2 GLY 35 HA2 GLY 35 31.801 6.370 -8.274 268 HA3 GLY 35 HA1 GLY 35 32.961 7.599 -7.776 269 H LEU 36 HN LEU 36 35.083 6.807 -9.473 270 HA LEU 36 HA LEU 36 34.554 8.310 -11.761 271 HB2 LEU 36 HB2 LEU 36 36.826 7.897 -10.840 272 HB3 LEU 36 HB1 LEU 36 36.714 6.221 -11.369 273 HG LEU 36 HG LEU 36 36.463 6.984 -13.717 274 HD11 LEU 36 HD11 LEU 36 35.582 9.100 -13.826 275 HD12 LEU 36 HD12 LEU 36 37.287 9.550 -13.866 276 HD13 LEU 36 HD13 LEU 36 36.392 9.628 -12.350 277 HD21 LEU 36 HD21 LEU 36 38.699 6.709 -13.703 278 HD22 LEU 36 HD22 LEU 36 38.802 7.270 -12.035 279 HD23 LEU 36 HD23 LEU 36 38.861 8.432 -13.360 280 H HIS 37 HN HIS 37 34.478 4.834 -11.212 281 HA HIS 37 HA HIS 37 33.954 4.170 -13.964 282 HB2 HIS 37 HB2 HIS 37 34.143 2.710 -11.380 283 HB3 HIS 37 HB1 HIS 37 33.183 1.961 -12.656 284 HD2 HIS 37 HD2 HIS 37 36.835 2.168 -11.653 285 HE1 HIS 37 HE1 HIS 37 36.867 1.285 -15.781 286 HE2 HIS 37 HE2 HIS 37 38.292 1.411 -13.683 287 H SER 38 HN SER 38 32.093 4.832 -11.088 288 HA SER 38 HA SER 38 29.582 3.860 -11.950 289 HB2 SER 38 HB2 SER 38 30.172 6.160 -10.077 290 HB3 SER 38 HB1 SER 38 28.629 5.327 -10.231 291 HG SER 38 HG SER 38 31.011 4.512 -9.055 292 H TRP 39 HN TRP 39 31.117 7.099 -12.310 293 HA TRP 39 HA TRP 39 28.849 8.225 -13.617 294 HB2 TRP 39 HB2 TRP 39 30.580 9.620 -12.547 295 HB3 TRP 39 HB1 TRP 39 31.755 9.080 -13.745 296 HD1 TRP 39 HD1 TRP 39 28.208 10.637 -13.791 297 HE1 TRP 39 HE1 TRP 39 28.112 12.382 -15.684 298 HE3 TRP 39 HE3 TRP 39 32.942 10.167 -15.677 299 HZ2 TRP 39 HZ2 TRP 39 29.808 13.442 -17.721 300 HZ3 TRP 39 HZ3 TRP 39 33.668 11.564 -17.591 301 HH2 TRP 39 HH2 TRP 39 32.110 13.199 -18.613 302 H LYS 40 HN LYS 40 31.712 6.488 -14.662 303 HA LYS 40 HA LYS 40 32.292 5.510 -16.648 304 HB2 LYS 40 HB2 LYS 40 29.932 4.599 -16.400 305 HB3 LYS 40 HB1 LYS 40 29.418 5.879 -17.496 306 HG2 LYS 40 HG2 LYS 40 30.894 5.058 -19.245 307 HG3 LYS 40 HG1 LYS 40 31.583 3.860 -18.148 308 HD2 LYS 40 HD2 LYS 40 29.381 2.764 -17.946 309 HD3 LYS 40 HD1 LYS 40 28.680 3.961 -19.035 310 HE2 LYS 40 HE2 LYS 40 30.196 3.232 -20.834 311 HE3 LYS 40 HE1 LYS 40 30.931 2.052 -19.749 312 HZ1 LYS 40 HZ1 LYS 40 29.050 1.319 -21.329 313 HZ2 LYS 40 HZ2 LYS 40 28.019 2.037 -20.186 314 HZ3 LYS 40 HZ3 LYS 40 29.043 0.759 -19.728 315 H LYS 41 HN LYS 41 33.076 6.076 -18.618 316 HA LYS 41 HA LYS 41 32.991 8.887 -19.301 317 HB2 LYS 41 HB2 LYS 41 34.298 6.617 -20.816 318 HB3 LYS 41 HB1 LYS 41 34.679 8.331 -20.936 319 HG2 LYS 41 HG2 LYS 41 35.024 6.698 -18.403 320 HG3 LYS 41 HG1 LYS 41 36.320 7.004 -19.557 321 HD2 LYS 41 HD2 LYS 41 36.003 9.454 -19.214 322 HD3 LYS 41 HD1 LYS 41 34.784 9.100 -17.990 323 HE2 LYS 41 HE2 LYS 41 36.460 7.825 -16.695 324 HE3 LYS 41 HE1 LYS 41 37.685 8.250 -17.892 325 HZ1 LYS 41 HZ1 LYS 41 37.573 10.488 -17.329 326 HZ2 LYS 41 HZ2 LYS 41 37.483 9.706 -15.822 327 HZ3 LYS 41 HZ3 LYS 41 36.077 10.328 -16.547 328 H LYS 42 HN LYS 42 32.059 9.805 -21.091 329 HA LYS 42 HA LYS 42 30.627 10.040 -22.874 330 HB2 LYS 42 HB2 LYS 42 32.186 8.078 -23.681 331 HB3 LYS 42 HB1 LYS 42 30.749 7.094 -23.415 332 HG2 LYS 42 HG2 LYS 42 29.451 8.512 -24.922 333 HG3 LYS 42 HG1 LYS 42 30.831 9.591 -25.137 334 HD2 LYS 42 HD2 LYS 42 32.136 7.762 -26.124 335 HD3 LYS 42 HD1 LYS 42 30.786 6.654 -25.877 336 HE2 LYS 42 HE2 LYS 42 30.521 7.295 -28.117 337 HE3 LYS 42 HE1 LYS 42 29.422 8.383 -27.269 338 HZ1 LYS 42 HZ1 LYS 42 30.546 9.957 -28.370 339 HZ2 LYS 42 HZ2 LYS 42 31.888 8.959 -28.662 340 HZ3 LYS 42 HZ3 LYS 42 31.722 9.747 -27.168 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 46.374 -4.775 -2.602 2 H2 MET 1 HT2 MET 1 47.877 -5.539 -2.821 3 H3 MET 1 HT3 MET 1 47.320 -5.181 -1.253 4 HA MET 1 HA MET 1 45.307 -6.672 -2.031 5 HB2 MET 1 HB2 MET 1 47.735 -7.677 -3.556 6 HB3 MET 1 HB1 MET 1 46.236 -8.582 -3.346 7 HG2 MET 1 HG2 MET 1 46.492 -5.894 -4.730 8 HG3 MET 1 HG1 MET 1 46.290 -7.442 -5.539 9 HE1 MET 1 HE1 MET 1 42.957 -8.625 -5.141 10 HE2 MET 1 HE2 MET 1 43.699 -8.881 -3.565 11 HE3 MET 1 HE3 MET 1 44.674 -9.031 -5.024 12 H ALA 2 HN ALA 2 47.251 -5.839 0.022 13 HA ALA 2 HA ALA 2 47.434 -8.395 1.437 14 HB1 ALA 2 HB1 ALA 2 49.744 -8.164 1.993 15 HB2 ALA 2 HB2 ALA 2 49.819 -6.544 1.297 16 HB3 ALA 2 HB3 ALA 2 49.639 -7.948 0.247 17 H GLU 3 HN GLU 3 47.521 -8.161 3.722 18 HA GLU 3 HA GLU 3 47.423 -5.460 4.834 19 HB2 GLU 3 HB2 GLU 3 45.081 -5.957 4.215 20 HB3 GLU 3 HB1 GLU 3 45.141 -7.416 5.207 21 HG2 GLU 3 HG2 GLU 3 45.576 -6.078 7.207 22 HG3 GLU 3 HG1 GLU 3 45.617 -4.606 6.239 23 H ALA 4 HN ALA 4 49.143 -5.769 6.160 24 HA ALA 4 HA ALA 4 49.607 -8.195 7.605 25 HB1 ALA 4 HB1 ALA 4 51.345 -6.493 6.845 26 HB2 ALA 4 HB2 ALA 4 51.518 -7.115 8.486 27 HB3 ALA 4 HB3 ALA 4 50.832 -5.511 8.218 28 H HIS 5 HN HIS 5 48.364 -4.984 8.535 29 HA HIS 5 HA HIS 5 47.551 -6.147 11.138 30 HB2 HIS 5 HB2 HIS 5 48.248 -3.278 10.473 31 HB3 HIS 5 HB1 HIS 5 47.703 -3.861 12.048 32 HD2 HIS 5 HD2 HIS 5 50.998 -3.344 10.241 33 HE1 HIS 5 HE1 HIS 5 51.794 -6.251 13.193 34 HE2 HIS 5 HE2 HIS 5 52.852 -4.659 11.523 35 H GLN 6 HN GLN 6 45.581 -5.261 12.094 36 HA GLN 6 HA GLN 6 43.426 -5.231 10.223 37 HB2 GLN 6 HB2 GLN 6 43.496 -4.623 13.189 38 HB3 GLN 6 HB1 GLN 6 42.022 -4.781 12.236 39 HG2 GLN 6 HG2 GLN 6 42.700 -7.085 11.604 40 HG3 GLN 6 HG1 GLN 6 44.136 -6.923 12.613 41 HE21 GLN 6 HE21 GLN 6 42.914 -8.930 13.632 42 HE22 GLN 6 HE22 GLN 6 41.839 -8.565 14.896 43 H ALA 7 HN ALA 7 42.352 -3.589 9.317 44 HA ALA 7 HA ALA 7 42.649 -0.870 10.369 45 HB1 ALA 7 HB1 ALA 7 43.214 -1.555 7.473 46 HB2 ALA 7 HB2 ALA 7 44.445 -1.151 8.670 47 HB3 ALA 7 HB3 ALA 7 43.244 0.052 8.197 48 H VAL 8 HN VAL 8 41.049 0.595 9.570 49 HA VAL 8 HA VAL 8 38.717 -0.713 8.300 50 HB VAL 8 HB VAL 8 38.808 1.154 10.669 51 HG11 VAL 8 HG11 VAL 8 36.990 2.093 9.623 52 HG12 VAL 8 HG12 VAL 8 36.178 0.696 10.337 53 HG13 VAL 8 HG13 VAL 8 36.679 0.660 8.645 54 HG21 VAL 8 HG21 VAL 8 37.652 -0.636 11.789 55 HG22 VAL 8 HG22 VAL 8 39.023 -1.360 10.948 56 HG23 VAL 8 HG23 VAL 8 37.403 -1.500 10.272 57 H ALA 9 HN ALA 9 37.832 0.353 6.627 58 HA ALA 9 HA ALA 9 39.162 2.634 5.523 59 HB1 ALA 9 HB1 ALA 9 37.700 2.406 3.693 60 HB2 ALA 9 HB2 ALA 9 36.424 1.703 4.684 61 HB3 ALA 9 HB3 ALA 9 37.860 0.755 4.294 62 H PHE 10 HN PHE 10 36.143 2.114 7.281 63 HA PHE 10 HA PHE 10 36.073 4.984 7.821 64 HB2 PHE 10 HB2 PHE 10 33.879 5.368 7.100 65 HB3 PHE 10 HB1 PHE 10 34.629 4.460 5.798 66 HD1 PHE 10 HD1 PHE 10 34.469 1.676 7.295 67 HD2 PHE 10 HD2 PHE 10 31.627 4.814 6.552 68 HE1 PHE 10 HE1 PHE 10 32.629 0.048 7.480 69 HE2 PHE 10 HE2 PHE 10 29.784 3.170 6.724 70 HZ PHE 10 HZ PHE 10 30.283 0.789 7.190 71 H GLN 11 HN GLN 11 35.360 5.562 9.804 72 HA GLN 11 HA GLN 11 34.095 3.464 11.473 73 HB2 GLN 11 HB2 GLN 11 36.470 3.616 12.071 74 HB3 GLN 11 HB1 GLN 11 36.288 5.341 12.363 75 HG2 GLN 11 HG2 GLN 11 34.719 4.932 14.168 76 HG3 GLN 11 HG1 GLN 11 34.700 3.205 13.808 77 HE21 GLN 11 HE21 GLN 11 35.499 4.343 16.380 78 HE22 GLN 11 HE22 GLN 11 37.135 3.944 16.609 79 H PHE 12 HN PHE 12 32.422 4.068 12.685 80 HA PHE 12 HA PHE 12 31.815 6.953 12.836 81 HB2 PHE 12 HB2 PHE 12 30.303 6.090 11.249 82 HB3 PHE 12 HB1 PHE 12 30.119 4.581 12.118 83 HD1 PHE 12 HD1 PHE 12 29.971 7.881 13.846 84 HD2 PHE 12 HD2 PHE 12 27.728 4.625 12.157 85 HE1 PHE 12 HE1 PHE 12 27.927 8.694 14.981 86 HE2 PHE 12 HE2 PHE 12 25.684 5.454 13.284 87 HZ PHE 12 HZ PHE 12 25.785 7.487 14.697 88 H THR 13 HN THR 13 31.740 7.601 14.929 89 HA THR 13 HA THR 13 30.761 5.655 16.952 90 HB THR 13 HB THR 13 32.758 7.654 17.823 91 HG1 THR 13 HG1 THR 13 33.591 5.240 16.631 92 HG21 THR 13 HG21 THR 13 33.371 5.873 19.332 93 HG22 THR 13 HG22 THR 13 32.450 4.698 18.394 94 HG23 THR 13 HG23 THR 13 31.609 5.959 19.297 95 H VAL 14 HN VAL 14 29.258 6.321 18.279 96 HA VAL 14 HA VAL 14 28.349 9.103 18.065 97 HB VAL 14 HB VAL 14 27.044 6.615 19.174 98 HG11 VAL 14 HG11 VAL 14 26.329 9.517 19.335 99 HG12 VAL 14 HG12 VAL 14 26.076 8.234 20.520 100 HG13 VAL 14 HG13 VAL 14 25.029 8.345 19.104 101 HG21 VAL 14 HG21 VAL 14 26.428 8.378 16.784 102 HG22 VAL 14 HG22 VAL 14 25.511 6.952 17.274 103 HG23 VAL 14 HG23 VAL 14 27.173 6.781 16.715 104 H THR 15 HN THR 15 28.702 10.555 19.659 105 HA THR 15 HA THR 15 29.409 9.496 22.326 106 HB THR 15 HB THR 15 30.741 11.712 22.461 107 HG1 THR 15 HG1 THR 15 29.725 11.802 19.991 108 HG21 THR 15 HG21 THR 15 32.691 10.638 21.421 109 HG22 THR 15 HG22 THR 15 31.629 9.515 20.565 110 HG23 THR 15 HG23 THR 15 31.750 9.447 22.323 111 HA PRO 16 HA PRO 16 26.034 11.832 24.011 112 HB2 PRO 16 HB2 PRO 16 27.937 13.175 25.862 113 HB3 PRO 16 HB1 PRO 16 26.462 12.264 26.229 114 HG2 PRO 16 HG2 PRO 16 28.944 11.290 26.640 115 HG3 PRO 16 HG1 PRO 16 27.543 10.273 26.270 116 HD2 PRO 16 HD2 PRO 16 29.865 10.937 24.561 117 HD3 PRO 16 HD1 PRO 16 28.725 9.576 24.457 118 H ASP 17 HN ASP 17 29.064 13.512 23.181 119 HA ASP 17 HA ASP 17 27.747 16.084 23.066 120 HB2 ASP 17 HB2 ASP 17 30.173 15.749 23.703 121 HB3 ASP 17 HB1 ASP 17 30.486 15.390 22.005 122 H GLY 18 HN GLY 18 28.109 13.409 20.840 123 HA2 GLY 18 HA2 GLY 18 26.496 14.421 18.897 124 HA3 GLY 18 HA1 GLY 18 28.067 15.099 18.482 125 H ILE 19 HN ILE 19 28.548 13.973 16.654 126 HA ILE 19 HA ILE 19 28.900 11.067 16.920 127 HB ILE 19 HB ILE 19 28.180 10.951 14.500 128 HG12 ILE 19 HG12 ILE 19 27.075 13.715 15.057 129 HG13 ILE 19 HG11 ILE 19 28.533 13.424 14.113 130 HG21 ILE 19 HG21 ILE 19 25.726 11.984 15.620 131 HG22 ILE 19 HG22 ILE 19 26.602 11.081 16.852 132 HG23 ILE 19 HG23 ILE 19 26.177 10.306 15.329 133 HD11 ILE 19 HD11 ILE 19 27.363 12.406 12.363 134 HD12 ILE 19 HD12 ILE 19 26.245 13.673 12.869 135 HD13 ILE 19 HD13 ILE 19 25.982 12.008 13.383 136 H ASP 20 HN ASP 20 30.587 10.259 15.678 137 HA ASP 20 HA ASP 20 32.445 12.251 14.506 138 HB2 ASP 20 HB2 ASP 20 33.177 11.494 16.786 139 HB3 ASP 20 HB1 ASP 20 33.295 9.856 16.140 140 H LEU 21 HN LEU 21 33.423 11.665 12.599 141 HA LEU 21 HA LEU 21 33.051 8.892 11.701 142 HB2 LEU 21 HB2 LEU 21 32.515 11.419 10.105 143 HB3 LEU 21 HB1 LEU 21 32.603 9.806 9.397 144 HG LEU 21 HG LEU 21 30.684 10.526 11.630 145 HD11 LEU 21 HD11 LEU 21 28.965 10.750 9.898 146 HD12 LEU 21 HD12 LEU 21 30.164 10.444 8.643 147 HD13 LEU 21 HD13 LEU 21 30.257 11.912 9.611 148 HD21 LEU 21 HD21 LEU 21 29.779 8.470 9.859 149 HD22 LEU 21 HD22 LEU 21 30.181 8.342 11.568 150 HD23 LEU 21 HD23 LEU 21 31.423 8.070 10.350 151 H ARG 22 HN ARG 22 34.936 8.073 11.220 152 HA ARG 22 HA ARG 22 37.110 9.866 10.283 153 HB2 ARG 22 HB2 ARG 22 37.532 8.973 12.547 154 HB3 ARG 22 HB1 ARG 22 37.416 7.337 11.908 155 HG2 ARG 22 HG2 ARG 22 39.319 7.767 10.408 156 HG3 ARG 22 HG1 ARG 22 39.422 9.424 11.002 157 HD2 ARG 22 HD2 ARG 22 39.765 8.486 13.317 158 HD3 ARG 22 HD1 ARG 22 39.859 6.881 12.594 159 HE ARG 22 HE ARG 22 41.702 8.531 11.263 160 HH11 ARG 22 HH21 ARG 22 41.099 7.197 14.401 161 HH12 ARG 22 HH22 ARG 22 42.770 7.134 14.847 162 HH21 ARG 22 HH11 ARG 22 43.905 8.449 11.853 163 HH22 ARG 22 HH12 ARG 22 44.353 7.837 13.411 164 H LEU 23 HN LEU 23 38.180 9.361 8.459 165 HA LEU 23 HA LEU 23 37.747 6.690 7.317 166 HB2 LEU 23 HB2 LEU 23 37.377 9.282 5.797 167 HB3 LEU 23 HB1 LEU 23 37.287 7.657 5.120 168 HG LEU 23 HG LEU 23 35.502 7.416 7.145 169 HD11 LEU 23 HD11 LEU 23 35.942 9.941 7.567 170 HD12 LEU 23 HD12 LEU 23 34.267 9.396 7.503 171 HD13 LEU 23 HD13 LEU 23 34.987 10.201 6.109 172 HD21 LEU 23 HD21 LEU 23 35.160 8.388 4.304 173 HD22 LEU 23 HD22 LEU 23 33.771 8.039 5.333 174 HD23 LEU 23 HD23 LEU 23 34.918 6.761 4.939 175 H SER 24 HN SER 24 39.505 5.884 6.361 176 HA SER 24 HA SER 24 42.016 7.268 6.593 177 HB2 SER 24 HB2 SER 24 42.992 5.219 5.755 178 HB3 SER 24 HB1 SER 24 41.733 4.804 6.915 179 HG SER 24 HG SER 24 41.891 3.865 4.561 180 H HIS 25 HN HIS 25 43.443 7.810 4.917 181 HA HIS 25 HA HIS 25 42.372 9.149 2.692 182 HB2 HIS 25 HB2 HIS 25 45.153 8.081 3.232 183 HB3 HIS 25 HB1 HIS 25 44.754 9.095 1.843 184 HD2 HIS 25 HD2 HIS 25 44.373 11.819 2.437 185 HE1 HIS 25 HE1 HIS 25 45.021 11.510 6.597 186 HE2 HIS 25 HE2 HIS 25 44.695 13.133 4.670 187 H GLU 26 HN GLU 26 43.331 5.888 3.234 188 HA GLU 26 HA GLU 26 43.508 5.012 0.532 189 HB2 GLU 26 HB2 GLU 26 42.970 3.514 3.106 190 HB3 GLU 26 HB1 GLU 26 43.208 2.728 1.544 191 HG2 GLU 26 HG2 GLU 26 45.430 3.709 1.342 192 HG3 GLU 26 HG1 GLU 26 45.196 4.622 2.831 193 H ALA 27 HN ALA 27 40.896 5.206 2.884 194 HA ALA 27 HA ALA 27 38.917 3.790 1.477 195 HB1 ALA 27 HB1 ALA 27 38.802 4.571 3.885 196 HB2 ALA 27 HB2 ALA 27 37.338 4.843 2.940 197 HB3 ALA 27 HB3 ALA 27 38.440 6.182 3.264 198 H LEU 28 HN LEU 28 40.057 7.075 1.296 199 HA LEU 28 HA LEU 28 38.003 8.108 -0.385 200 HB2 LEU 28 HB2 LEU 28 40.828 9.028 0.151 201 HB3 LEU 28 HB1 LEU 28 39.714 9.917 -0.881 202 HG LEU 28 HG LEU 28 39.098 9.144 1.987 203 HD11 LEU 28 HD11 LEU 28 40.675 11.360 0.859 204 HD12 LEU 28 HD12 LEU 28 40.624 10.739 2.508 205 HD13 LEU 28 HD13 LEU 28 39.394 11.873 1.956 206 HD21 LEU 28 HD21 LEU 28 37.659 11.422 1.220 207 HD22 LEU 28 HD22 LEU 28 37.016 9.790 1.385 208 HD23 LEU 28 HD23 LEU 28 37.571 10.365 -0.187 209 H ARG 29 HN ARG 29 41.151 6.657 -1.021 210 HA ARG 29 HA ARG 29 41.262 7.157 -3.778 211 HB2 ARG 29 HB2 ARG 29 43.191 6.373 -2.461 212 HB3 ARG 29 HB1 ARG 29 42.412 4.803 -2.263 213 HG2 ARG 29 HG2 ARG 29 42.419 4.477 -4.705 214 HG3 ARG 29 HG1 ARG 29 43.160 6.062 -4.921 215 HD2 ARG 29 HD2 ARG 29 45.081 5.287 -3.521 216 HD3 ARG 29 HD1 ARG 29 44.357 3.686 -3.476 217 HE ARG 29 HE ARG 29 45.660 4.946 -5.762 218 HH11 ARG 29 HH21 ARG 29 43.610 2.434 -4.540 219 HH12 ARG 29 HH22 ARG 29 43.882 1.372 -5.877 220 HH21 ARG 29 HH11 ARG 29 46.023 3.552 -7.516 221 HH22 ARG 29 HH12 ARG 29 45.250 2.003 -7.562 222 H GLN 30 HN GLN 30 39.810 4.425 -2.011 223 HA GLN 30 HA GLN 30 39.138 2.967 -4.364 224 HB2 GLN 30 HB2 GLN 30 38.030 2.888 -1.552 225 HB3 GLN 30 HB1 GLN 30 37.517 1.784 -2.831 226 HG2 GLN 30 HG2 GLN 30 39.876 1.068 -3.128 227 HG3 GLN 30 HG1 GLN 30 40.349 2.128 -1.800 228 HE21 GLN 30 HE21 GLN 30 41.062 -0.234 -1.018 229 HE22 GLN 30 HE22 GLN 30 39.905 -1.054 -0.081 230 H ILE 31 HN ILE 31 37.427 5.284 -2.338 231 HA ILE 31 HA ILE 31 34.939 5.077 -3.610 232 HB ILE 31 HB ILE 31 36.229 7.289 -2.025 233 HG12 ILE 31 HG12 ILE 31 35.422 4.924 -1.127 234 HG13 ILE 31 HG11 ILE 31 35.118 6.390 -0.198 235 HG21 ILE 31 HG21 ILE 31 33.776 8.097 -1.857 236 HG22 ILE 31 HG22 ILE 31 33.509 7.143 -3.316 237 HG23 ILE 31 HG23 ILE 31 34.667 8.474 -3.333 238 HD11 ILE 31 HD11 ILE 31 33.117 5.360 -2.217 239 HD12 ILE 31 HD12 ILE 31 32.851 6.492 -0.893 240 HD13 ILE 31 HD13 ILE 31 33.128 4.787 -0.551 241 H TYR 32 HN TYR 32 37.626 7.378 -4.288 242 HA TYR 32 HA TYR 32 36.206 8.849 -6.229 243 HB2 TYR 32 HB2 TYR 32 38.282 9.664 -5.248 244 HB3 TYR 32 HB1 TYR 32 39.175 8.331 -5.977 245 HD1 TYR 32 HD2 TYR 32 37.001 11.248 -6.814 246 HD2 TYR 32 HD1 TYR 32 40.021 8.512 -8.177 247 HE1 TYR 32 HE2 TYR 32 37.258 12.569 -8.895 248 HE2 TYR 32 HE1 TYR 32 40.275 9.835 -10.259 249 HH TYR 32 HH TYR 32 38.708 11.456 -11.610 250 H LEU 33 HN LEU 33 38.466 6.107 -6.619 251 HA LEU 33 HA LEU 33 38.206 5.970 -9.428 252 HB2 LEU 33 HB2 LEU 33 39.172 4.063 -7.318 253 HB3 LEU 33 HB1 LEU 33 38.958 3.491 -8.970 254 HG LEU 33 HG LEU 33 40.387 5.635 -9.592 255 HD11 LEU 33 HD11 LEU 33 40.300 6.382 -7.136 256 HD12 LEU 33 HD12 LEU 33 41.885 6.387 -7.909 257 HD13 LEU 33 HD13 LEU 33 41.440 5.074 -6.817 258 HD21 LEU 33 HD21 LEU 33 41.310 3.561 -10.142 259 HD22 LEU 33 HD22 LEU 33 41.312 3.003 -8.470 260 HD23 LEU 33 HD23 LEU 33 42.490 4.204 -9.002 261 H SER 34 HN SER 34 36.366 4.284 -6.854 262 HA SER 34 HA SER 34 34.908 2.599 -8.597 263 HB2 SER 34 HB2 SER 34 33.340 2.326 -6.776 264 HB3 SER 34 HB1 SER 34 34.966 2.373 -6.104 265 HG SER 34 HG SER 34 34.550 4.257 -5.209 266 H GLY 35 HN GLY 35 34.480 5.922 -7.589 267 HA2 GLY 35 HA2 GLY 35 31.880 6.296 -8.708 268 HA3 GLY 35 HA1 GLY 35 33.000 7.572 -8.230 269 H LEU 36 HN LEU 36 35.170 6.723 -9.828 270 HA LEU 36 HA LEU 36 34.682 8.111 -12.206 271 HB2 LEU 36 HB2 LEU 36 36.917 7.806 -11.175 272 HB3 LEU 36 HB1 LEU 36 36.870 6.106 -11.628 273 HG LEU 36 HG LEU 36 36.662 6.774 -14.024 274 HD11 LEU 36 HD11 LEU 36 35.826 8.883 -14.287 275 HD12 LEU 36 HD12 LEU 36 37.522 9.349 -14.191 276 HD13 LEU 36 HD13 LEU 36 36.500 9.453 -12.760 277 HD21 LEU 36 HD21 LEU 36 38.896 6.536 -13.980 278 HD22 LEU 36 HD22 LEU 36 38.940 7.054 -12.296 279 HD23 LEU 36 HD23 LEU 36 39.049 8.248 -13.588 280 H HIS 37 HN HIS 37 34.630 4.658 -11.471 281 HA HIS 37 HA HIS 37 34.271 3.854 -14.213 282 HB2 HIS 37 HB2 HIS 37 34.278 2.502 -11.550 283 HB3 HIS 37 HB1 HIS 37 33.480 1.683 -12.892 284 HD2 HIS 37 HD2 HIS 37 37.095 2.615 -11.735 285 HE1 HIS 37 HE1 HIS 37 37.426 0.576 -15.417 286 HE2 HIS 37 HE2 HIS 37 38.729 1.516 -13.449 287 H SER 38 HN SER 38 32.276 4.836 -11.565 288 HA SER 38 HA SER 38 29.782 3.753 -12.404 289 HB2 SER 38 HB2 SER 38 30.125 6.353 -10.908 290 HB3 SER 38 HB1 SER 38 28.794 5.203 -10.807 291 HG SER 38 HG SER 38 31.478 4.614 -10.102 292 H TRP 39 HN TRP 39 31.802 6.002 -13.881 293 HA TRP 39 HA TRP 39 29.922 7.876 -14.878 294 HB2 TRP 39 HB2 TRP 39 32.238 8.452 -14.932 295 HB3 TRP 39 HB1 TRP 39 32.650 6.985 -15.817 296 HD1 TRP 39 HD1 TRP 39 31.027 10.414 -16.275 297 HE1 TRP 39 HE1 TRP 39 30.909 10.941 -18.798 298 HE3 TRP 39 HE3 TRP 39 32.546 5.930 -18.183 299 HZ2 TRP 39 HZ2 TRP 39 31.394 9.632 -21.292 300 HZ3 TRP 39 HZ3 TRP 39 32.710 5.597 -20.634 301 HH2 TRP 39 HH2 TRP 39 32.138 7.441 -22.189 302 H LYS 40 HN LYS 40 31.089 4.760 -15.984 303 HA LYS 40 HA LYS 40 29.825 4.872 -18.556 304 HB2 LYS 40 HB2 LYS 40 31.791 3.451 -18.107 305 HB3 LYS 40 HB1 LYS 40 30.840 2.507 -16.958 306 HG2 LYS 40 HG2 LYS 40 29.302 1.837 -18.750 307 HG3 LYS 40 HG1 LYS 40 30.193 2.830 -19.905 308 HD2 LYS 40 HD2 LYS 40 32.214 1.464 -19.512 309 HD3 LYS 40 HD1 LYS 40 31.311 0.464 -18.371 310 HE2 LYS 40 HE2 LYS 40 29.755 -0.200 -20.142 311 HE3 LYS 40 HE1 LYS 40 30.597 0.837 -21.293 312 HZ1 LYS 40 HZ1 LYS 40 32.069 -1.237 -19.806 313 HZ2 LYS 40 HZ2 LYS 40 32.440 -0.522 -21.303 314 HZ3 LYS 40 HZ3 LYS 40 31.178 -1.654 -21.189 315 H LYS 41 HN LYS 41 27.784 4.349 -19.091 316 HA LYS 41 HA LYS 41 25.856 3.883 -17.021 317 HB2 LYS 41 HB2 LYS 41 25.410 5.228 -19.082 318 HB3 LYS 41 HB1 LYS 41 25.468 3.732 -20.017 319 HG2 LYS 41 HG2 LYS 41 23.603 2.813 -18.720 320 HG3 LYS 41 HG1 LYS 41 23.574 4.256 -17.706 321 HD2 LYS 41 HD2 LYS 41 23.053 5.644 -19.673 322 HD3 LYS 41 HD1 LYS 41 23.090 4.212 -20.702 323 HE2 LYS 41 HE2 LYS 41 20.775 4.725 -20.142 324 HE3 LYS 41 HE1 LYS 41 21.244 3.234 -19.319 325 HZ1 LYS 41 HZ1 LYS 41 21.075 5.956 -18.154 326 HZ2 LYS 41 HZ2 LYS 41 21.771 4.632 -17.350 327 HZ3 LYS 41 HZ3 LYS 41 20.123 4.610 -17.761 328 H LYS 42 HN LYS 42 24.793 2.044 -16.472 329 HA LYS 42 HA LYS 42 24.384 -0.196 -16.213 330 HB2 LYS 42 HB2 LYS 42 23.530 0.046 -18.545 331 HB3 LYS 42 HB1 LYS 42 25.128 -0.398 -19.140 332 HG2 LYS 42 HG2 LYS 42 24.987 -2.555 -17.967 333 HG3 LYS 42 HG1 LYS 42 23.404 -2.111 -17.325 334 HD2 LYS 42 HD2 LYS 42 22.525 -1.931 -19.627 335 HD3 LYS 42 HD1 LYS 42 24.102 -2.404 -20.261 336 HE2 LYS 42 HE2 LYS 42 23.939 -4.554 -19.046 337 HE3 LYS 42 HE1 LYS 42 22.348 -4.082 -18.441 338 HZ1 LYS 42 HZ1 LYS 42 22.877 -4.028 -21.333 339 HZ2 LYS 42 HZ2 LYS 42 21.407 -4.253 -20.509 340 HZ3 LYS 42 HZ3 LYS 42 22.546 -5.511 -20.577 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 36.797 -6.852 21.201 2 H2 MET 1 HT2 MET 1 36.472 -8.378 20.526 3 H3 MET 1 HT3 MET 1 36.548 -7.005 19.530 4 HA MET 1 HA MET 1 38.926 -6.741 20.187 5 HB2 MET 1 HB2 MET 1 38.701 -8.155 22.247 6 HB3 MET 1 HB1 MET 1 38.503 -9.567 21.212 7 HG2 MET 1 HG2 MET 1 40.723 -9.123 20.195 8 HG3 MET 1 HG1 MET 1 40.917 -7.729 21.253 9 HE1 MET 1 HE1 MET 1 40.144 -11.260 20.837 10 HE2 MET 1 HE2 MET 1 39.496 -11.557 22.448 11 HE3 MET 1 HE3 MET 1 41.105 -12.139 22.033 12 H ALA 2 HN ALA 2 36.781 -9.141 18.859 13 HA ALA 2 HA ALA 2 38.607 -10.384 17.072 14 HB1 ALA 2 HB1 ALA 2 36.453 -11.401 17.696 15 HB2 ALA 2 HB2 ALA 2 36.620 -11.252 15.947 16 HB3 ALA 2 HB3 ALA 2 35.603 -10.117 16.836 17 H GLU 3 HN GLU 3 36.399 -7.624 16.704 18 HA GLU 3 HA GLU 3 36.741 -7.279 13.935 19 HB2 GLU 3 HB2 GLU 3 36.098 -5.295 16.117 20 HB3 GLU 3 HB1 GLU 3 36.091 -4.890 14.402 21 HG2 GLU 3 HG2 GLU 3 34.397 -6.577 13.961 22 HG3 GLU 3 HG1 GLU 3 34.455 -7.116 15.640 23 H ALA 4 HN ALA 4 38.829 -6.579 16.596 24 HA ALA 4 HA ALA 4 40.371 -4.509 15.502 25 HB1 ALA 4 HB1 ALA 4 41.542 -4.739 17.398 26 HB2 ALA 4 HB2 ALA 4 41.974 -6.404 17.009 27 HB3 ALA 4 HB3 ALA 4 40.446 -6.055 17.819 28 H HIS 5 HN HIS 5 40.491 -8.012 14.987 29 HA HIS 5 HA HIS 5 42.959 -7.993 13.560 30 HB2 HIS 5 HB2 HIS 5 40.694 -9.999 13.604 31 HB3 HIS 5 HB1 HIS 5 42.231 -10.252 12.775 32 HD2 HIS 5 HD2 HIS 5 44.519 -10.436 14.546 33 HE1 HIS 5 HE1 HIS 5 42.206 -10.940 18.041 34 HE2 HIS 5 HE2 HIS 5 44.547 -11.086 17.071 35 H GLN 6 HN GLN 6 39.577 -7.662 12.622 36 HA GLN 6 HA GLN 6 39.977 -7.847 9.806 37 HB2 GLN 6 HB2 GLN 6 37.778 -6.465 11.364 38 HB3 GLN 6 HB1 GLN 6 37.723 -6.869 9.649 39 HG2 GLN 6 HG2 GLN 6 38.054 -8.886 11.887 40 HG3 GLN 6 HG1 GLN 6 36.538 -8.542 11.058 41 HE21 GLN 6 HE21 GLN 6 38.834 -10.844 11.102 42 HE22 GLN 6 HE22 GLN 6 38.861 -11.296 9.466 43 H ALA 7 HN ALA 7 40.327 -6.265 8.272 44 HA ALA 7 HA ALA 7 41.730 -3.915 9.064 45 HB1 ALA 7 HB1 ALA 7 41.012 -3.429 6.467 46 HB2 ALA 7 HB2 ALA 7 40.894 -5.187 6.539 47 HB3 ALA 7 HB3 ALA 7 42.412 -4.389 6.948 48 H VAL 8 HN VAL 8 41.060 -1.810 9.242 49 HA VAL 8 HA VAL 8 38.173 -1.281 8.823 50 HB VAL 8 HB VAL 8 39.954 -0.395 11.098 51 HG11 VAL 8 HG11 VAL 8 37.436 0.469 11.710 52 HG12 VAL 8 HG12 VAL 8 37.467 0.735 9.967 53 HG13 VAL 8 HG13 VAL 8 38.684 1.491 10.997 54 HG21 VAL 8 HG21 VAL 8 37.310 -1.640 11.546 55 HG22 VAL 8 HG22 VAL 8 38.843 -1.926 12.370 56 HG23 VAL 8 HG23 VAL 8 38.516 -2.700 10.819 57 H ALA 9 HN ALA 9 37.757 0.361 7.500 58 HA ALA 9 HA ALA 9 39.893 2.354 7.020 59 HB1 ALA 9 HB1 ALA 9 39.792 1.760 4.866 60 HB2 ALA 9 HB2 ALA 9 38.126 2.339 4.827 61 HB3 ALA 9 HB3 ALA 9 38.464 0.647 5.196 62 H PHE 10 HN PHE 10 36.632 1.770 7.911 63 HA PHE 10 HA PHE 10 36.175 4.655 8.037 64 HB2 PHE 10 HB2 PHE 10 33.671 3.867 7.496 65 HB3 PHE 10 HB1 PHE 10 34.795 4.405 6.272 66 HD1 PHE 10 HD1 PHE 10 35.114 1.060 7.936 67 HD2 PHE 10 HD2 PHE 10 33.781 3.238 4.474 68 HE1 PHE 10 HE1 PHE 10 34.885 -1.058 6.691 69 HE2 PHE 10 HE2 PHE 10 33.538 1.107 3.237 70 HZ PHE 10 HZ PHE 10 34.088 -1.040 4.341 71 H GLN 11 HN GLN 11 35.456 5.358 9.954 72 HA GLN 11 HA GLN 11 34.131 3.394 11.738 73 HB2 GLN 11 HB2 GLN 11 36.451 5.199 12.386 74 HB3 GLN 11 HB1 GLN 11 35.440 4.462 13.627 75 HG2 GLN 11 HG2 GLN 11 35.969 2.232 12.779 76 HG3 GLN 11 HG1 GLN 11 36.904 2.934 11.460 77 HE21 GLN 11 HE21 GLN 11 37.233 1.592 14.526 78 HE22 GLN 11 HE22 GLN 11 38.731 2.270 14.945 79 H PHE 12 HN PHE 12 32.390 4.060 12.767 80 HA PHE 12 HA PHE 12 31.819 6.959 12.834 81 HB2 PHE 12 HB2 PHE 12 30.355 6.137 11.202 82 HB3 PHE 12 HB1 PHE 12 30.140 4.601 12.023 83 HD1 PHE 12 HD1 PHE 12 29.914 7.891 13.766 84 HD2 PHE 12 HD2 PHE 12 27.745 4.620 12.010 85 HE1 PHE 12 HE1 PHE 12 27.830 8.682 14.842 86 HE2 PHE 12 HE2 PHE 12 25.661 5.427 13.076 87 HZ PHE 12 HZ PHE 12 25.704 7.464 14.496 88 H THR 13 HN THR 13 31.684 7.622 14.923 89 HA THR 13 HA THR 13 30.619 5.699 16.918 90 HB THR 13 HB THR 13 32.648 7.649 17.826 91 HG1 THR 13 HG1 THR 13 33.753 6.870 16.104 92 HG21 THR 13 HG21 THR 13 33.090 5.980 19.442 93 HG22 THR 13 HG22 THR 13 32.380 4.713 18.444 94 HG23 THR 13 HG23 THR 13 31.343 5.916 19.212 95 H VAL 14 HN VAL 14 29.116 6.362 18.224 96 HA VAL 14 HA VAL 14 28.242 9.154 18.058 97 HB VAL 14 HB VAL 14 26.874 6.708 19.201 98 HG11 VAL 14 HG11 VAL 14 26.092 9.607 18.957 99 HG12 VAL 14 HG12 VAL 14 25.972 8.551 20.364 100 HG13 VAL 14 HG13 VAL 14 24.865 8.341 19.006 101 HG21 VAL 14 HG21 VAL 14 25.981 8.231 16.770 102 HG22 VAL 14 HG22 VAL 14 25.686 6.548 17.203 103 HG23 VAL 14 HG23 VAL 14 27.272 7.041 16.623 104 H THR 15 HN THR 15 28.643 10.567 19.717 105 HA THR 15 HA THR 15 29.209 9.399 22.377 106 HB THR 15 HB THR 15 30.647 11.660 22.494 107 HG1 THR 15 HG1 THR 15 31.725 11.316 20.202 108 HG21 THR 15 HG21 THR 15 31.424 8.949 21.412 109 HG22 THR 15 HG22 THR 15 31.666 9.587 23.040 110 HG23 THR 15 HG23 THR 15 32.619 10.214 21.697 111 HA PRO 16 HA PRO 16 26.034 11.982 24.062 112 HB2 PRO 16 HB2 PRO 16 28.085 13.221 25.848 113 HB3 PRO 16 HB1 PRO 16 26.528 12.479 26.263 114 HG2 PRO 16 HG2 PRO 16 28.891 11.252 26.673 115 HG3 PRO 16 HG1 PRO 16 27.388 10.383 26.332 116 HD2 PRO 16 HD2 PRO 16 29.756 10.740 24.602 117 HD3 PRO 16 HD1 PRO 16 28.458 9.531 24.518 118 H ASP 17 HN ASP 17 29.197 13.523 23.410 119 HA ASP 17 HA ASP 17 28.179 16.164 23.164 120 HB2 ASP 17 HB2 ASP 17 30.383 16.651 22.176 121 HB3 ASP 17 HB1 ASP 17 30.521 15.748 23.681 122 H GLY 18 HN GLY 18 28.300 13.434 20.945 123 HA2 GLY 18 HA2 GLY 18 26.596 14.412 19.092 124 HA3 GLY 18 HA1 GLY 18 28.126 15.124 18.593 125 H ILE 19 HN ILE 19 28.666 13.993 16.780 126 HA ILE 19 HA ILE 19 29.009 11.095 17.074 127 HB ILE 19 HB ILE 19 28.339 10.931 14.655 128 HG12 ILE 19 HG12 ILE 19 27.236 13.700 15.166 129 HG13 ILE 19 HG11 ILE 19 28.641 13.347 14.157 130 HG21 ILE 19 HG21 ILE 19 26.109 12.012 16.388 131 HG22 ILE 19 HG22 ILE 19 26.812 10.415 16.636 132 HG23 ILE 19 HG23 ILE 19 25.993 10.790 15.121 133 HD11 ILE 19 HD11 ILE 19 25.878 13.258 13.427 134 HD12 ILE 19 HD12 ILE 19 26.526 11.621 13.331 135 HD13 ILE 19 HD13 ILE 19 27.283 12.924 12.416 136 H ASP 20 HN ASP 20 30.677 10.263 15.850 137 HA ASP 20 HA ASP 20 32.587 12.223 14.707 138 HB2 ASP 20 HB2 ASP 20 33.159 9.829 16.466 139 HB3 ASP 20 HB1 ASP 20 34.401 10.687 15.552 140 H LEU 21 HN LEU 21 33.525 11.661 12.736 141 HA LEU 21 HA LEU 21 33.001 8.940 11.738 142 HB2 LEU 21 HB2 LEU 21 32.488 11.557 10.281 143 HB3 LEU 21 HB1 LEU 21 32.541 9.990 9.481 144 HG LEU 21 HG LEU 21 30.679 10.537 11.804 145 HD11 LEU 21 HD11 LEU 21 30.115 10.839 8.836 146 HD12 LEU 21 HD12 LEU 21 30.219 12.166 9.992 147 HD13 LEU 21 HD13 LEU 21 28.922 10.978 10.129 148 HD21 LEU 21 HD21 LEU 21 29.976 8.420 11.440 149 HD22 LEU 21 HD22 LEU 21 31.346 8.212 10.352 150 HD23 LEU 21 HD23 LEU 21 29.788 8.724 9.715 151 H ARG 22 HN ARG 22 34.870 8.072 11.195 152 HA ARG 22 HA ARG 22 37.052 9.848 10.240 153 HB2 ARG 22 HB2 ARG 22 37.222 7.313 11.870 154 HB3 ARG 22 HB1 ARG 22 38.612 8.104 11.136 155 HG2 ARG 22 HG2 ARG 22 38.072 10.175 12.391 156 HG3 ARG 22 HG1 ARG 22 36.723 9.336 13.157 157 HD2 ARG 22 HD2 ARG 22 38.260 7.696 14.126 158 HD3 ARG 22 HD1 ARG 22 39.623 8.479 13.329 159 HE ARG 22 HE ARG 22 38.108 10.266 15.018 160 HH11 ARG 22 HH21 ARG 22 40.603 7.868 14.845 161 HH12 ARG 22 HH22 ARG 22 41.434 8.433 16.256 162 HH21 ARG 22 HH11 ARG 22 39.192 11.011 16.863 163 HH22 ARG 22 HH12 ARG 22 40.634 10.217 17.398 164 H LEU 23 HN LEU 23 38.030 9.391 8.351 165 HA LEU 23 HA LEU 23 37.450 6.779 7.109 166 HB2 LEU 23 HB2 LEU 23 37.276 9.497 5.764 167 HB3 LEU 23 HB1 LEU 23 37.149 7.944 4.943 168 HG LEU 23 HG LEU 23 35.285 8.862 7.163 169 HD11 LEU 23 HD11 LEU 23 33.998 8.566 4.619 170 HD12 LEU 23 HD12 LEU 23 35.374 9.651 4.423 171 HD13 LEU 23 HD13 LEU 23 34.127 10.014 5.616 172 HD21 LEU 23 HD21 LEU 23 35.100 6.546 7.147 173 HD22 LEU 23 HD22 LEU 23 35.518 6.418 5.441 174 HD23 LEU 23 HD23 LEU 23 33.913 6.968 5.918 175 H SER 24 HN SER 24 39.222 5.910 6.226 176 HA SER 24 HA SER 24 41.772 7.205 6.515 177 HB2 SER 24 HB2 SER 24 42.594 5.096 5.350 178 HB3 SER 24 HB1 SER 24 41.738 4.850 6.869 179 HG SER 24 HG SER 24 40.341 3.736 5.786 180 H HIS 25 HN HIS 25 43.218 7.777 4.883 181 HA HIS 25 HA HIS 25 42.181 9.147 2.668 182 HB2 HIS 25 HB2 HIS 25 44.973 8.050 3.122 183 HB3 HIS 25 HB1 HIS 25 44.538 9.196 1.853 184 HD2 HIS 25 HD2 HIS 25 45.522 9.248 5.569 185 HE1 HIS 25 HE1 HIS 25 43.958 13.070 4.698 186 HE2 HIS 25 HE2 HIS 25 45.208 11.695 6.425 187 H GLU 26 HN GLU 26 43.081 5.877 3.184 188 HA GLU 26 HA GLU 26 43.271 5.018 0.475 189 HB2 GLU 26 HB2 GLU 26 42.678 3.525 3.039 190 HB3 GLU 26 HB1 GLU 26 42.877 2.729 1.476 191 HG2 GLU 26 HG2 GLU 26 45.141 3.617 1.270 192 HG3 GLU 26 HG1 GLU 26 44.948 4.530 2.766 193 H ALA 27 HN ALA 27 40.644 5.248 2.821 194 HA ALA 27 HA ALA 27 38.654 3.893 1.366 195 HB1 ALA 27 HB1 ALA 27 38.769 5.067 3.828 196 HB2 ALA 27 HB2 ALA 27 37.283 4.516 3.056 197 HB3 ALA 27 HB3 ALA 27 37.756 6.212 2.948 198 H LEU 28 HN LEU 28 39.930 7.098 1.207 199 HA LEU 28 HA LEU 28 37.898 8.229 -0.471 200 HB2 LEU 28 HB2 LEU 28 40.719 9.081 0.159 201 HB3 LEU 28 HB1 LEU 28 39.629 10.023 -0.852 202 HG LEU 28 HG LEU 28 38.937 9.116 1.957 203 HD11 LEU 28 HD11 LEU 28 40.702 11.231 1.073 204 HD12 LEU 28 HD12 LEU 28 40.317 10.717 2.715 205 HD13 LEU 28 HD13 LEU 28 39.298 11.903 1.899 206 HD21 LEU 28 HD21 LEU 28 37.601 10.785 -0.143 207 HD22 LEU 28 HD22 LEU 28 37.423 11.292 1.534 208 HD23 LEU 28 HD23 LEU 28 36.892 9.687 1.040 209 H ARG 29 HN ARG 29 41.034 6.714 -1.050 210 HA ARG 29 HA ARG 29 41.197 7.256 -3.809 211 HB2 ARG 29 HB2 ARG 29 43.115 6.479 -2.453 212 HB3 ARG 29 HB1 ARG 29 42.346 4.903 -2.279 213 HG2 ARG 29 HG2 ARG 29 42.408 4.603 -4.731 214 HG3 ARG 29 HG1 ARG 29 43.184 6.179 -4.900 215 HD2 ARG 29 HD2 ARG 29 44.333 3.897 -3.271 216 HD3 ARG 29 HD1 ARG 29 44.792 4.242 -4.935 217 HE ARG 29 HE ARG 29 45.542 5.762 -2.575 218 HH11 ARG 29 HH21 ARG 29 45.152 5.683 -6.009 219 HH12 ARG 29 HH22 ARG 29 46.340 6.910 -6.311 220 HH21 ARG 29 HH11 ARG 29 47.100 7.360 -2.955 221 HH22 ARG 29 HH12 ARG 29 47.437 7.870 -4.577 222 H GLN 30 HN GLN 30 39.678 4.548 -2.063 223 HA GLN 30 HA GLN 30 39.030 3.072 -4.416 224 HB2 GLN 30 HB2 GLN 30 37.889 3.038 -1.620 225 HB3 GLN 30 HB1 GLN 30 37.392 1.912 -2.886 226 HG2 GLN 30 HG2 GLN 30 39.734 1.164 -3.134 227 HG3 GLN 30 HG1 GLN 30 40.225 2.281 -1.862 228 HE21 GLN 30 HE21 GLN 30 40.925 -0.072 -1.019 229 HE22 GLN 30 HE22 GLN 30 39.780 -0.834 -0.025 230 H ILE 31 HN ILE 31 37.259 5.416 -2.423 231 HA ILE 31 HA ILE 31 34.800 5.212 -3.760 232 HB ILE 31 HB ILE 31 36.045 7.454 -2.179 233 HG12 ILE 31 HG12 ILE 31 33.687 5.685 -1.512 234 HG13 ILE 31 HG11 ILE 31 35.339 5.201 -1.134 235 HG21 ILE 31 HG21 ILE 31 33.509 8.156 -2.101 236 HG22 ILE 31 HG22 ILE 31 33.414 7.272 -3.624 237 HG23 ILE 31 HG23 ILE 31 34.506 8.649 -3.470 238 HD11 ILE 31 HD11 ILE 31 33.662 6.839 0.421 239 HD12 ILE 31 HD12 ILE 31 34.849 7.937 -0.277 240 HD13 ILE 31 HD13 ILE 31 35.380 6.548 0.673 241 H TYR 32 HN TYR 32 37.520 7.502 -4.400 242 HA TYR 32 HA TYR 32 36.137 8.933 -6.403 243 HB2 TYR 32 HB2 TYR 32 38.157 9.826 -5.439 244 HB3 TYR 32 HB1 TYR 32 39.097 8.450 -6.013 245 HD1 TYR 32 HD2 TYR 32 37.030 11.338 -7.152 246 HD2 TYR 32 HD1 TYR 32 40.005 8.424 -8.206 247 HE1 TYR 32 HE2 TYR 32 37.422 12.513 -9.299 248 HE2 TYR 32 HE1 TYR 32 40.403 9.601 -10.357 249 HH TYR 32 HH TYR 32 39.636 11.198 -11.739 250 H LEU 33 HN LEU 33 38.363 6.165 -6.640 251 HA LEU 33 HA LEU 33 38.247 5.921 -9.450 252 HB2 LEU 33 HB2 LEU 33 38.781 3.863 -7.304 253 HB3 LEU 33 HB1 LEU 33 39.019 3.573 -9.025 254 HG LEU 33 HG LEU 33 40.366 5.785 -7.443 255 HD11 LEU 33 HD11 LEU 33 41.122 3.544 -6.754 256 HD12 LEU 33 HD12 LEU 33 42.392 4.387 -7.644 257 HD13 LEU 33 HD13 LEU 33 41.443 3.133 -8.438 258 HD21 LEU 33 HD21 LEU 33 40.531 6.583 -9.593 259 HD22 LEU 33 HD22 LEU 33 40.312 4.989 -10.319 260 HD23 LEU 33 HD23 LEU 33 41.878 5.448 -9.653 261 H SER 34 HN SER 34 36.293 4.403 -6.882 262 HA SER 34 HA SER 34 34.801 2.660 -8.484 263 HB2 SER 34 HB2 SER 34 34.613 2.407 -6.131 264 HB3 SER 34 HB1 SER 34 34.177 4.100 -5.910 265 HG SER 34 HG SER 34 32.225 3.687 -6.954 266 H GLY 35 HN GLY 35 34.319 6.061 -7.700 267 HA2 GLY 35 HA2 GLY 35 31.801 6.278 -9.038 268 HA3 GLY 35 HA1 GLY 35 32.821 7.620 -8.524 269 H LEU 36 HN LEU 36 35.163 6.743 -9.918 270 HA LEU 36 HA LEU 36 34.824 8.053 -12.354 271 HB2 LEU 36 HB2 LEU 36 37.006 7.806 -11.230 272 HB3 LEU 36 HB1 LEU 36 36.990 6.081 -11.586 273 HG LEU 36 HG LEU 36 36.904 6.610 -14.024 274 HD11 LEU 36 HD11 LEU 36 35.943 8.719 -14.266 275 HD12 LEU 36 HD12 LEU 36 37.652 9.094 -14.474 276 HD13 LEU 36 HD13 LEU 36 36.863 9.406 -12.927 277 HD21 LEU 36 HD21 LEU 36 39.069 6.226 -12.884 278 HD22 LEU 36 HD22 LEU 36 39.184 7.954 -12.545 279 HD23 LEU 36 HD23 LEU 36 39.225 7.377 -14.210 280 H HIS 37 HN HIS 37 34.785 4.591 -11.581 281 HA HIS 37 HA HIS 37 34.514 3.769 -14.328 282 HB2 HIS 37 HB2 HIS 37 34.059 2.295 -11.720 283 HB3 HIS 37 HB1 HIS 37 33.978 1.544 -13.314 284 HD2 HIS 37 HD2 HIS 37 36.612 2.320 -10.671 285 HE1 HIS 37 HE1 HIS 37 38.754 1.732 -14.262 286 HE2 HIS 37 HE2 HIS 37 38.968 1.992 -11.745 287 H SER 38 HN SER 38 32.428 4.664 -11.715 288 HA SER 38 HA SER 38 29.968 3.601 -12.650 289 HB2 SER 38 HB2 SER 38 30.313 6.127 -11.035 290 HB3 SER 38 HB1 SER 38 28.936 5.031 -11.038 291 HG SER 38 HG SER 38 31.542 4.182 -10.339 292 H TRP 39 HN TRP 39 31.966 5.912 -14.048 293 HA TRP 39 HA TRP 39 30.058 7.807 -14.963 294 HB2 TRP 39 HB2 TRP 39 32.351 8.440 -14.987 295 HB3 TRP 39 HB1 TRP 39 32.807 7.014 -15.918 296 HD1 TRP 39 HD1 TRP 39 32.707 7.169 -18.474 297 HE1 TRP 39 HE1 TRP 39 31.973 8.981 -20.158 298 HE3 TRP 39 HE3 TRP 39 30.534 10.512 -15.280 299 HZ2 TRP 39 HZ2 TRP 39 30.642 11.514 -20.150 300 HZ3 TRP 39 HZ3 TRP 39 29.545 12.611 -16.140 301 HH2 TRP 39 HH2 TRP 39 29.593 13.119 -18.568 302 H LYS 40 HN LYS 40 31.265 4.754 -16.207 303 HA LYS 40 HA LYS 40 30.125 4.970 -18.800 304 HB2 LYS 40 HB2 LYS 40 31.961 3.422 -18.288 305 HB3 LYS 40 HB1 LYS 40 30.901 2.510 -17.210 306 HG2 LYS 40 HG2 LYS 40 29.422 1.957 -19.082 307 HG3 LYS 40 HG1 LYS 40 30.397 2.941 -20.170 308 HD2 LYS 40 HD2 LYS 40 32.331 1.454 -19.780 309 HD3 LYS 40 HD1 LYS 40 31.346 0.464 -18.697 310 HE2 LYS 40 HE2 LYS 40 29.777 -0.001 -20.546 311 HE3 LYS 40 HE1 LYS 40 30.756 0.986 -21.627 312 HZ1 LYS 40 HZ1 LYS 40 31.420 -1.609 -20.390 313 HZ2 LYS 40 HZ2 LYS 40 32.640 -0.575 -20.963 314 HZ3 LYS 40 HZ3 LYS 40 31.458 -1.170 -22.026 315 H LYS 41 HN LYS 41 28.115 4.566 -19.526 316 HA LYS 41 HA LYS 41 26.044 3.942 -17.568 317 HB2 LYS 41 HB2 LYS 41 25.940 4.818 -20.462 318 HB3 LYS 41 HB1 LYS 41 24.502 4.382 -19.539 319 HG2 LYS 41 HG2 LYS 41 25.053 6.107 -17.861 320 HG3 LYS 41 HG1 LYS 41 26.489 6.546 -18.785 321 HD2 LYS 41 HD2 LYS 41 25.050 7.143 -20.716 322 HD3 LYS 41 HD1 LYS 41 23.622 6.741 -19.764 323 HE2 LYS 41 HE2 LYS 41 25.657 8.888 -19.088 324 HE3 LYS 41 HE1 LYS 41 24.029 9.167 -19.710 325 HZ1 LYS 41 HZ1 LYS 41 23.824 7.478 -17.499 326 HZ2 LYS 41 HZ2 LYS 41 23.274 9.079 -17.647 327 HZ3 LYS 41 HZ3 LYS 41 24.831 8.764 -17.050 328 H LYS 42 HN LYS 42 24.670 2.168 -17.667 329 HA LYS 42 HA LYS 42 25.602 -0.053 -19.392 330 HB2 LYS 42 HB2 LYS 42 24.894 -1.573 -17.598 331 HB3 LYS 42 HB1 LYS 42 26.090 -0.420 -17.012 332 HG2 LYS 42 HG2 LYS 42 24.303 0.976 -16.065 333 HG3 LYS 42 HG1 LYS 42 23.088 -0.155 -16.658 334 HD2 LYS 42 HD2 LYS 42 24.055 -1.943 -15.270 335 HD3 LYS 42 HD1 LYS 42 25.281 -0.822 -14.676 336 HE2 LYS 42 HE2 LYS 42 23.607 -0.791 -13.000 337 HE3 LYS 42 HE1 LYS 42 23.302 0.665 -13.949 338 HZ1 LYS 42 HZ1 LYS 42 21.968 -1.919 -14.501 339 HZ2 LYS 42 HZ2 LYS 42 21.556 -0.382 -15.100 340 HZ3 LYS 42 HZ3 LYS 42 21.310 -0.754 -13.460 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 45.062 -1.964 15.171 2 H2 MET 1 HT2 MET 1 43.485 -1.711 15.747 3 H3 MET 1 HT3 MET 1 44.271 -3.190 16.035 4 HA MET 1 HA MET 1 44.159 -1.151 17.784 5 HB2 MET 1 HB2 MET 1 46.237 -3.328 17.432 6 HB3 MET 1 HB1 MET 1 46.073 -2.362 18.898 7 HG2 MET 1 HG2 MET 1 43.713 -3.111 19.103 8 HG3 MET 1 HG1 MET 1 43.928 -4.127 17.678 9 HE1 MET 1 HE1 MET 1 45.305 -5.979 17.391 10 HE2 MET 1 HE2 MET 1 46.107 -6.959 18.616 11 HE3 MET 1 HE3 MET 1 46.883 -5.493 18.028 12 H ALA 2 HN ALA 2 47.089 -1.950 15.892 13 HA ALA 2 HA ALA 2 48.536 0.345 16.726 14 HB1 ALA 2 HB1 ALA 2 49.111 -1.968 15.307 15 HB2 ALA 2 HB2 ALA 2 50.226 -0.635 15.610 16 HB3 ALA 2 HB3 ALA 2 49.303 -0.689 14.108 17 H GLU 3 HN GLU 3 48.803 2.332 15.804 18 HA GLU 3 HA GLU 3 46.697 3.358 14.186 19 HB2 GLU 3 HB2 GLU 3 49.363 4.523 15.008 20 HB3 GLU 3 HB1 GLU 3 48.137 5.422 14.115 21 HG2 GLU 3 HG2 GLU 3 46.523 5.072 15.919 22 HG3 GLU 3 HG1 GLU 3 47.692 4.093 16.803 23 H ALA 4 HN ALA 4 49.993 2.306 13.530 24 HA ALA 4 HA ALA 4 50.221 3.305 10.905 25 HB1 ALA 4 HB1 ALA 4 51.498 0.741 11.836 26 HB2 ALA 4 HB2 ALA 4 52.044 2.311 12.425 27 HB3 ALA 4 HB3 ALA 4 52.129 1.937 10.704 28 H HIS 5 HN HIS 5 48.862 0.305 12.183 29 HA HIS 5 HA HIS 5 48.027 -0.435 9.443 30 HB2 HIS 5 HB2 HIS 5 48.677 -2.073 11.880 31 HB3 HIS 5 HB1 HIS 5 47.654 -2.728 10.599 32 HD2 HIS 5 HD2 HIS 5 49.048 -3.552 8.314 33 HE1 HIS 5 HE1 HIS 5 52.834 -2.049 9.426 34 HE2 HIS 5 HE2 HIS 5 51.586 -3.439 7.706 35 H GLN 6 HN GLN 6 45.930 -0.366 8.966 36 HA GLN 6 HA GLN 6 43.975 -0.260 11.191 37 HB2 GLN 6 HB2 GLN 6 43.898 1.185 8.529 38 HB3 GLN 6 HB1 GLN 6 42.591 1.180 9.711 39 HG2 GLN 6 HG2 GLN 6 45.405 2.161 10.268 40 HG3 GLN 6 HG1 GLN 6 44.040 3.206 9.882 41 HE21 GLN 6 HE21 GLN 6 45.768 2.267 12.488 42 HE22 GLN 6 HE22 GLN 6 44.552 2.257 13.673 43 H ALA 7 HN ALA 7 42.618 -1.910 11.224 44 HA ALA 7 HA ALA 7 42.442 -3.756 9.010 45 HB1 ALA 7 HB1 ALA 7 40.935 -5.019 10.491 46 HB2 ALA 7 HB2 ALA 7 40.937 -3.676 11.635 47 HB3 ALA 7 HB3 ALA 7 42.424 -4.572 11.326 48 H VAL 8 HN VAL 8 40.901 -0.885 9.815 49 HA VAL 8 HA VAL 8 38.635 -1.526 8.027 50 HB VAL 8 HB VAL 8 37.207 -0.068 9.415 51 HG11 VAL 8 HG11 VAL 8 38.110 -1.830 11.544 52 HG12 VAL 8 HG12 VAL 8 38.085 -2.669 9.992 53 HG13 VAL 8 HG13 VAL 8 36.621 -1.895 10.601 54 HG21 VAL 8 HG21 VAL 8 38.612 1.444 10.507 55 HG22 VAL 8 HG22 VAL 8 39.780 0.203 10.947 56 HG23 VAL 8 HG23 VAL 8 38.248 0.313 11.809 57 H ALA 9 HN ALA 9 37.707 0.377 6.967 58 HA ALA 9 HA ALA 9 39.770 2.438 6.475 59 HB1 ALA 9 HB1 ALA 9 38.492 0.741 4.681 60 HB2 ALA 9 HB2 ALA 9 39.405 2.194 4.275 61 HB3 ALA 9 HB3 ALA 9 37.657 2.282 4.484 62 H PHE 10 HN PHE 10 36.507 1.879 7.514 63 HA PHE 10 HA PHE 10 36.146 4.788 7.777 64 HB2 PHE 10 HB2 PHE 10 34.818 4.271 5.889 65 HB3 PHE 10 HB1 PHE 10 34.236 2.776 6.606 66 HD1 PHE 10 HD1 PHE 10 34.405 6.009 8.490 67 HD2 PHE 10 HD2 PHE 10 31.906 3.247 6.341 68 HE1 PHE 10 HE1 PHE 10 32.397 7.137 9.375 69 HE2 PHE 10 HE2 PHE 10 29.896 4.396 7.218 70 HZ PHE 10 HZ PHE 10 30.141 6.339 8.734 71 H GLN 11 HN GLN 11 35.535 5.379 9.796 72 HA GLN 11 HA GLN 11 34.243 3.344 11.519 73 HB2 GLN 11 HB2 GLN 11 36.481 5.215 12.324 74 HB3 GLN 11 HB1 GLN 11 35.583 4.177 13.429 75 HG2 GLN 11 HG2 GLN 11 37.148 3.182 11.032 76 HG3 GLN 11 HG1 GLN 11 37.748 3.167 12.690 77 HE21 GLN 11 HE21 GLN 11 36.319 1.177 10.438 78 HE22 GLN 11 HE22 GLN 11 35.525 0.102 11.484 79 H PHE 12 HN PHE 12 32.509 3.992 12.633 80 HA PHE 12 HA PHE 12 31.961 6.894 12.752 81 HB2 PHE 12 HB2 PHE 12 30.478 6.119 11.124 82 HB3 PHE 12 HB1 PHE 12 30.238 4.577 11.926 83 HD1 PHE 12 HD1 PHE 12 30.077 7.859 13.693 84 HD2 PHE 12 HD2 PHE 12 27.853 4.630 11.941 85 HE1 PHE 12 HE1 PHE 12 28.023 8.664 14.808 86 HE2 PHE 12 HE2 PHE 12 25.792 5.458 13.039 87 HZ PHE 12 HZ PHE 12 25.879 7.476 14.474 88 H THR 13 HN THR 13 31.764 7.577 14.818 89 HA THR 13 HA THR 13 30.753 5.661 16.846 90 HB THR 13 HB THR 13 32.671 7.739 17.710 91 HG1 THR 13 HG1 THR 13 33.692 6.881 15.885 92 HG21 THR 13 HG21 THR 13 31.468 6.017 19.162 93 HG22 THR 13 HG22 THR 13 33.217 6.116 19.356 94 HG23 THR 13 HG23 THR 13 32.509 4.809 18.407 95 H VAL 14 HN VAL 14 29.194 6.332 18.115 96 HA VAL 14 HA VAL 14 28.273 9.106 17.857 97 HB VAL 14 HB VAL 14 26.623 7.331 17.438 98 HG11 VAL 14 HG11 VAL 14 26.633 6.550 20.318 99 HG12 VAL 14 HG12 VAL 14 27.898 5.874 19.294 100 HG13 VAL 14 HG13 VAL 14 26.203 5.597 18.899 101 HG21 VAL 14 HG21 VAL 14 24.900 8.340 18.650 102 HG22 VAL 14 HG22 VAL 14 26.158 9.572 18.753 103 HG23 VAL 14 HG23 VAL 14 25.877 8.482 20.110 104 H THR 15 HN THR 15 28.642 10.563 19.459 105 HA THR 15 HA THR 15 29.234 9.488 22.149 106 HB THR 15 HB THR 15 30.535 11.844 22.196 107 HG1 THR 15 HG1 THR 15 31.671 11.486 19.960 108 HG21 THR 15 HG21 THR 15 31.600 9.810 22.849 109 HG22 THR 15 HG22 THR 15 32.589 10.474 21.549 110 HG23 THR 15 HG23 THR 15 31.478 9.144 21.219 111 HA PRO 16 HA PRO 16 25.970 11.972 23.788 112 HB2 PRO 16 HB2 PRO 16 27.932 13.372 25.537 113 HB3 PRO 16 HB1 PRO 16 26.449 12.506 25.977 114 HG2 PRO 16 HG2 PRO 16 28.924 11.509 26.383 115 HG3 PRO 16 HG1 PRO 16 27.499 10.500 26.094 116 HD2 PRO 16 HD2 PRO 16 29.793 11.033 24.310 117 HD3 PRO 16 HD1 PRO 16 28.622 9.696 24.292 118 H ASP 17 HN ASP 17 29.050 13.653 23.069 119 HA ASP 17 HA ASP 17 27.808 16.215 22.766 120 HB2 ASP 17 HB2 ASP 17 30.535 15.148 22.043 121 HB3 ASP 17 HB1 ASP 17 30.046 16.816 21.752 122 H GLY 18 HN GLY 18 28.121 13.454 20.618 123 HA2 GLY 18 HA2 GLY 18 26.494 14.384 18.665 124 HA3 GLY 18 HA1 GLY 18 28.042 15.094 18.223 125 H ILE 19 HN ILE 19 28.606 13.932 16.437 126 HA ILE 19 HA ILE 19 28.989 11.044 16.798 127 HB ILE 19 HB ILE 19 28.400 10.880 14.330 128 HG12 ILE 19 HG12 ILE 19 27.093 13.554 14.879 129 HG13 ILE 19 HG11 ILE 19 28.573 13.351 13.941 130 HG21 ILE 19 HG21 ILE 19 26.028 10.670 14.772 131 HG22 ILE 19 HG22 ILE 19 26.142 11.776 16.142 132 HG23 ILE 19 HG23 ILE 19 26.892 10.181 16.230 133 HD11 ILE 19 HD11 ILE 19 26.774 13.428 12.357 134 HD12 ILE 19 HD12 ILE 19 25.819 12.277 13.292 135 HD13 ILE 19 HD13 ILE 19 27.277 11.741 12.459 136 H ASP 20 HN ASP 20 30.731 10.224 15.724 137 HA ASP 20 HA ASP 20 32.623 12.170 14.533 138 HB2 ASP 20 HB2 ASP 20 33.191 9.874 16.421 139 HB3 ASP 20 HB1 ASP 20 34.441 10.716 15.507 140 H LEU 21 HN LEU 21 33.610 11.533 12.623 141 HA LEU 21 HA LEU 21 33.208 8.752 11.766 142 HB2 LEU 21 HB2 LEU 21 32.621 11.210 10.092 143 HB3 LEU 21 HB1 LEU 21 32.591 9.545 9.510 144 HG LEU 21 HG LEU 21 30.941 9.301 11.639 145 HD11 LEU 21 HD11 LEU 21 31.253 11.851 11.969 146 HD12 LEU 21 HD12 LEU 21 29.604 11.226 11.980 147 HD13 LEU 21 HD13 LEU 21 30.235 12.022 10.540 148 HD21 LEU 21 HD21 LEU 21 30.303 10.230 8.827 149 HD22 LEU 21 HD22 LEU 21 29.077 9.656 9.956 150 HD23 LEU 21 HD23 LEU 21 30.358 8.570 9.419 151 H ARG 22 HN ARG 22 35.088 7.940 11.248 152 HA ARG 22 HA ARG 22 37.227 9.748 10.257 153 HB2 ARG 22 HB2 ARG 22 37.672 8.848 12.521 154 HB3 ARG 22 HB1 ARG 22 37.572 7.217 11.870 155 HG2 ARG 22 HG2 ARG 22 39.454 7.695 10.350 156 HG3 ARG 22 HG1 ARG 22 39.550 9.338 10.987 157 HD2 ARG 22 HD2 ARG 22 39.938 8.358 13.268 158 HD3 ARG 22 HD1 ARG 22 40.018 6.766 12.519 159 HE ARG 22 HE ARG 22 41.822 8.493 11.199 160 HH11 ARG 22 HH21 ARG 22 41.293 6.908 14.224 161 HH12 ARG 22 HH22 ARG 22 42.977 6.777 14.609 162 HH21 ARG 22 HH11 ARG 22 44.030 8.332 11.688 163 HH22 ARG 22 HH12 ARG 22 44.531 7.589 13.171 164 H LEU 23 HN LEU 23 38.331 9.210 8.453 165 HA LEU 23 HA LEU 23 37.891 6.556 7.337 166 HB2 LEU 23 HB2 LEU 23 37.566 7.718 5.088 167 HB3 LEU 23 HB1 LEU 23 36.211 7.767 6.215 168 HG LEU 23 HG LEU 23 38.161 9.988 6.449 169 HD11 LEU 23 HD11 LEU 23 36.273 9.699 4.087 170 HD12 LEU 23 HD12 LEU 23 38.033 9.793 4.016 171 HD13 LEU 23 HD13 LEU 23 37.097 11.195 4.536 172 HD21 LEU 23 HD21 LEU 23 36.230 11.195 7.082 173 HD22 LEU 23 HD22 LEU 23 35.912 9.572 7.691 174 HD23 LEU 23 HD23 LEU 23 35.155 10.114 6.194 175 H SER 24 HN SER 24 39.641 5.754 6.372 176 HA SER 24 HA SER 24 42.152 7.141 6.600 177 HB2 SER 24 HB2 SER 24 43.130 5.106 5.715 178 HB3 SER 24 HB1 SER 24 41.908 4.680 6.911 179 HG SER 24 HG SER 24 41.900 4.405 4.130 180 H HIS 25 HN HIS 25 43.590 7.648 4.895 181 HA HIS 25 HA HIS 25 42.512 9.040 2.721 182 HB2 HIS 25 HB2 HIS 25 45.233 8.034 3.431 183 HB3 HIS 25 HB1 HIS 25 44.948 8.509 1.756 184 HD2 HIS 25 HD2 HIS 25 44.756 11.253 1.324 185 HE1 HIS 25 HE1 HIS 25 44.961 12.442 5.369 186 HE2 HIS 25 HE2 HIS 25 44.905 13.273 2.970 187 H GLU 26 HN GLU 26 43.351 5.705 3.142 188 HA GLU 26 HA GLU 26 43.373 4.922 0.399 189 HB2 GLU 26 HB2 GLU 26 42.882 3.334 2.929 190 HB3 GLU 26 HB1 GLU 26 43.060 2.610 1.332 191 HG2 GLU 26 HG2 GLU 26 45.136 4.382 2.654 192 HG3 GLU 26 HG1 GLU 26 45.189 2.621 2.657 193 H ALA 27 HN ALA 27 40.857 5.221 2.843 194 HA ALA 27 HA ALA 27 38.768 3.894 1.484 195 HB1 ALA 27 HB1 ALA 27 37.442 4.559 3.222 196 HB2 ALA 27 HB2 ALA 27 38.031 6.221 3.160 197 HB3 ALA 27 HB3 ALA 27 38.986 4.984 3.969 198 H LEU 28 HN LEU 28 40.081 7.115 1.329 199 HA LEU 28 HA LEU 28 37.955 8.280 -0.215 200 HB2 LEU 28 HB2 LEU 28 40.828 9.209 0.121 201 HB3 LEU 28 HB1 LEU 28 39.572 10.121 -0.710 202 HG LEU 28 HG LEU 28 39.382 9.200 2.172 203 HD11 LEU 28 HD11 LEU 28 41.179 10.897 1.776 204 HD12 LEU 28 HD12 LEU 28 39.873 11.489 2.802 205 HD13 LEU 28 HD13 LEU 28 39.955 11.979 1.110 206 HD21 LEU 28 HD21 LEU 28 37.177 9.589 1.666 207 HD22 LEU 28 HD22 LEU 28 37.557 10.625 0.293 208 HD23 LEU 28 HD23 LEU 28 37.648 11.266 1.932 209 H ARG 29 HN ARG 29 41.048 6.785 -0.970 210 HA ARG 29 HA ARG 29 41.092 7.306 -3.730 211 HB2 ARG 29 HB2 ARG 29 42.305 5.056 -2.114 212 HB3 ARG 29 HB1 ARG 29 42.635 5.318 -3.827 213 HG2 ARG 29 HG2 ARG 29 43.485 7.575 -3.333 214 HG3 ARG 29 HG1 ARG 29 43.126 7.336 -1.621 215 HD2 ARG 29 HD2 ARG 29 45.490 6.884 -2.012 216 HD3 ARG 29 HD1 ARG 29 44.666 5.386 -1.595 217 HE ARG 29 HE ARG 29 44.702 5.701 -4.416 218 HH11 ARG 29 HH21 ARG 29 46.715 5.032 -1.687 219 HH12 ARG 29 HH22 ARG 29 47.862 4.092 -2.582 220 HH21 ARG 29 HH11 ARG 29 46.213 4.458 -5.606 221 HH22 ARG 29 HH12 ARG 29 47.580 3.770 -4.796 222 H GLN 30 HN GLN 30 39.576 4.633 -1.925 223 HA GLN 30 HA GLN 30 38.894 3.146 -4.278 224 HB2 GLN 30 HB2 GLN 30 37.813 3.071 -1.454 225 HB3 GLN 30 HB1 GLN 30 37.318 1.953 -2.726 226 HG2 GLN 30 HG2 GLN 30 39.640 1.213 -3.008 227 HG3 GLN 30 HG1 GLN 30 40.164 2.352 -1.769 228 HE21 GLN 30 HE21 GLN 30 40.888 -0.041 -0.971 229 HE22 GLN 30 HE22 GLN 30 39.789 -0.768 0.100 230 H ILE 31 HN ILE 31 37.225 5.466 -2.205 231 HA ILE 31 HA ILE 31 34.711 5.282 -3.443 232 HB ILE 31 HB ILE 31 36.008 7.520 -1.885 233 HG12 ILE 31 HG12 ILE 31 33.767 5.633 -1.116 234 HG13 ILE 31 HG11 ILE 31 35.461 5.270 -0.789 235 HG21 ILE 31 HG21 ILE 31 33.259 7.237 -3.093 236 HG22 ILE 31 HG22 ILE 31 34.347 8.622 -3.153 237 HG23 ILE 31 HG23 ILE 31 33.523 8.214 -1.649 238 HD11 ILE 31 HD11 ILE 31 35.658 7.377 0.501 239 HD12 ILE 31 HD12 ILE 31 34.404 6.330 1.170 240 HD13 ILE 31 HD13 ILE 31 33.956 7.722 0.183 241 H TYR 32 HN TYR 32 37.400 7.603 -4.128 242 HA TYR 32 HA TYR 32 35.956 9.058 -6.078 243 HB2 TYR 32 HB2 TYR 32 38.021 9.931 -5.134 244 HB3 TYR 32 HB1 TYR 32 38.934 8.584 -5.813 245 HD1 TYR 32 HD1 TYR 32 36.778 11.490 -6.747 246 HD2 TYR 32 HD2 TYR 32 39.743 8.660 -8.035 247 HE1 TYR 32 HE1 TYR 32 37.046 12.737 -8.875 248 HE2 TYR 32 HE2 TYR 32 40.009 9.906 -10.162 249 HH TYR 32 HH TYR 32 38.379 11.540 -11.552 250 H LEU 33 HN LEU 33 38.220 6.330 -6.405 251 HA LEU 33 HA LEU 33 38.054 6.126 -9.210 252 HB2 LEU 33 HB2 LEU 33 38.727 4.092 -7.084 253 HB3 LEU 33 HB1 LEU 33 38.871 3.766 -8.810 254 HG LEU 33 HG LEU 33 40.241 6.070 -7.385 255 HD11 LEU 33 HD11 LEU 33 41.550 4.404 -6.557 256 HD12 LEU 33 HD12 LEU 33 42.233 4.382 -8.184 257 HD13 LEU 33 HD13 LEU 33 40.974 3.229 -7.739 258 HD21 LEU 33 HD21 LEU 33 40.438 6.784 -9.537 259 HD22 LEU 33 HD22 LEU 33 39.981 5.217 -10.201 260 HD23 LEU 33 HD23 LEU 33 41.643 5.508 -9.690 261 H SER 34 HN SER 34 36.154 4.517 -6.643 262 HA SER 34 HA SER 34 34.700 2.777 -8.293 263 HB2 SER 34 HB2 SER 34 33.860 4.156 -5.735 264 HB3 SER 34 HB1 SER 34 32.988 2.824 -6.488 265 HG SER 34 HG SER 34 34.412 2.039 -4.922 266 H GLY 35 HN GLY 35 34.211 6.164 -7.481 267 HA2 GLY 35 HA2 GLY 35 31.667 6.430 -8.762 268 HA3 GLY 35 HA1 GLY 35 32.729 7.750 -8.273 269 H LEU 36 HN LEU 36 35.010 6.897 -9.696 270 HA LEU 36 HA LEU 36 34.641 8.172 -12.153 271 HB2 LEU 36 HB2 LEU 36 36.822 7.996 -11.017 272 HB3 LEU 36 HB1 LEU 36 36.838 6.261 -11.320 273 HG LEU 36 HG LEU 36 36.813 6.686 -13.758 274 HD11 LEU 36 HD11 LEU 36 37.438 9.237 -14.247 275 HD12 LEU 36 HD12 LEU 36 36.480 9.493 -12.789 276 HD13 LEU 36 HD13 LEU 36 35.760 8.697 -14.189 277 HD21 LEU 36 HD21 LEU 36 39.088 7.327 -13.929 278 HD22 LEU 36 HD22 LEU 36 38.951 6.647 -12.307 279 HD23 LEU 36 HD23 LEU 36 38.978 8.396 -12.529 280 H HIS 37 HN HIS 37 34.608 4.762 -11.270 281 HA HIS 37 HA HIS 37 34.433 3.809 -13.982 282 HB2 HIS 37 HB2 HIS 37 33.950 2.471 -11.311 283 HB3 HIS 37 HB1 HIS 37 33.863 1.632 -12.861 284 HD2 HIS 37 HD2 HIS 37 36.368 1.157 -14.101 285 HE1 HIS 37 HE1 HIS 37 38.728 2.750 -10.983 286 HE2 HIS 37 HE2 HIS 37 38.787 1.440 -13.158 287 H SER 38 HN SER 38 32.243 4.833 -11.506 288 HA SER 38 HA SER 38 29.857 3.626 -12.492 289 HB2 SER 38 HB2 SER 38 30.023 6.219 -10.954 290 HB3 SER 38 HB1 SER 38 28.697 5.057 -10.981 291 HG SER 38 HG SER 38 30.636 3.613 -10.234 292 H TRP 39 HN TRP 39 31.857 5.838 -13.950 293 HA TRP 39 HA TRP 39 29.941 7.672 -14.997 294 HB2 TRP 39 HB2 TRP 39 32.566 7.813 -14.818 295 HB3 TRP 39 HB1 TRP 39 32.504 7.049 -16.407 296 HD1 TRP 39 HD1 TRP 39 31.523 10.241 -14.566 297 HE1 TRP 39 HE1 TRP 39 30.974 12.066 -16.302 298 HE3 TRP 39 HE3 TRP 39 31.695 7.465 -18.847 299 HZ2 TRP 39 HZ2 TRP 39 30.649 12.315 -19.132 300 HZ3 TRP 39 HZ3 TRP 39 31.263 8.520 -21.047 301 HH2 TRP 39 HH2 TRP 39 30.739 10.939 -21.195 302 H LYS 40 HN LYS 40 31.286 4.600 -16.076 303 HA LYS 40 HA LYS 40 29.803 4.785 -18.599 304 HB2 LYS 40 HB2 LYS 40 31.808 2.769 -17.570 305 HB3 LYS 40 HB1 LYS 40 31.000 2.653 -19.133 306 HG2 LYS 40 HG2 LYS 40 31.931 4.829 -19.795 307 HG3 LYS 40 HG1 LYS 40 32.719 4.980 -18.223 308 HD2 LYS 40 HD2 LYS 40 33.992 2.894 -18.691 309 HD3 LYS 40 HD1 LYS 40 33.254 2.829 -20.292 310 HE2 LYS 40 HE2 LYS 40 34.881 5.172 -19.270 311 HE3 LYS 40 HE1 LYS 40 35.532 3.886 -20.284 312 HZ1 LYS 40 HZ1 LYS 40 33.172 4.782 -21.463 313 HZ2 LYS 40 HZ2 LYS 40 34.759 4.951 -22.044 314 HZ3 LYS 40 HZ3 LYS 40 34.079 6.160 -21.063 315 H LYS 41 HN LYS 41 28.289 3.234 -19.245 316 HA LYS 41 HA LYS 41 26.609 2.234 -17.139 317 HB2 LYS 41 HB2 LYS 41 26.512 1.907 -20.147 318 HB3 LYS 41 HB1 LYS 41 25.264 1.323 -19.046 319 HG2 LYS 41 HG2 LYS 41 24.904 3.613 -18.220 320 HG3 LYS 41 HG1 LYS 41 26.170 4.206 -19.296 321 HD2 LYS 41 HD2 LYS 41 24.882 3.429 -21.250 322 HD3 LYS 41 HD1 LYS 41 23.615 2.831 -20.179 323 HE2 LYS 41 HE2 LYS 41 23.240 5.113 -19.332 324 HE3 LYS 41 HE1 LYS 41 24.517 5.719 -20.388 325 HZ1 LYS 41 HZ1 LYS 41 22.611 4.156 -21.819 326 HZ2 LYS 41 HZ2 LYS 41 23.138 5.747 -22.107 327 HZ3 LYS 41 HZ3 LYS 41 21.864 5.455 -21.020 328 H LYS 42 HN LYS 42 26.272 0.128 -16.499 329 HA LYS 42 HA LYS 42 28.444 -1.722 -16.976 330 HB2 LYS 42 HB2 LYS 42 25.911 -1.919 -15.335 331 HB3 LYS 42 HB1 LYS 42 27.128 -3.193 -15.420 332 HG2 LYS 42 HG2 LYS 42 28.839 -1.633 -14.587 333 HG3 LYS 42 HG1 LYS 42 27.637 -0.342 -14.521 334 HD2 LYS 42 HD2 LYS 42 26.323 -1.636 -12.889 335 HD3 LYS 42 HD1 LYS 42 27.510 -2.939 -12.961 336 HE2 LYS 42 HE2 LYS 42 29.255 -1.401 -12.140 337 HE3 LYS 42 HE1 LYS 42 28.071 -0.096 -12.067 338 HZ1 LYS 42 HZ1 LYS 42 28.098 -2.603 -10.488 339 HZ2 LYS 42 HZ2 LYS 42 26.757 -1.561 -10.553 340 HZ3 LYS 42 HZ3 LYS 42 28.231 -1.014 -9.910 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 57.381 0.711 7.987 2 H2 MET 1 HT2 MET 1 56.065 1.789 7.958 3 H3 MET 1 HT3 MET 1 57.642 2.356 7.657 4 HA MET 1 HA MET 1 56.611 2.229 5.558 5 HB2 MET 1 HB2 MET 1 58.333 -0.207 6.117 6 HB3 MET 1 HB1 MET 1 57.916 0.358 4.499 7 HG2 MET 1 HG2 MET 1 58.992 2.525 4.967 8 HG3 MET 1 HG1 MET 1 59.385 1.988 6.600 9 HE1 MET 1 HE1 MET 1 62.531 1.787 6.289 10 HE2 MET 1 HE2 MET 1 61.371 3.032 5.847 11 HE3 MET 1 HE3 MET 1 62.540 2.462 4.656 12 H ALA 2 HN ALA 2 56.353 -0.891 7.264 13 HA ALA 2 HA ALA 2 54.362 -1.921 5.467 14 HB1 ALA 2 HB1 ALA 2 55.932 -2.885 7.719 15 HB2 ALA 2 HB2 ALA 2 55.265 -3.777 6.350 16 HB3 ALA 2 HB3 ALA 2 54.268 -3.462 7.769 17 H GLU 3 HN GLU 3 52.190 -2.022 5.707 18 HA GLU 3 HA GLU 3 50.951 -0.149 7.510 19 HB2 GLU 3 HB2 GLU 3 49.839 -2.106 5.495 20 HB3 GLU 3 HB1 GLU 3 48.841 -0.984 6.427 21 HG2 GLU 3 HG2 GLU 3 50.078 0.921 5.502 22 HG3 GLU 3 HG1 GLU 3 51.136 -0.178 4.615 23 H ALA 4 HN ALA 4 49.253 -0.679 8.998 24 HA ALA 4 HA ALA 4 49.916 -2.837 10.722 25 HB1 ALA 4 HB1 ALA 4 48.895 -1.242 11.982 26 HB2 ALA 4 HB2 ALA 4 47.437 -2.140 11.553 27 HB3 ALA 4 HB3 ALA 4 47.879 -0.694 10.650 28 H HIS 5 HN HIS 5 48.720 -4.698 11.214 29 HA HIS 5 HA HIS 5 47.669 -6.120 8.998 30 HB2 HIS 5 HB2 HIS 5 48.787 -7.176 10.930 31 HB3 HIS 5 HB1 HIS 5 47.435 -6.708 11.959 32 HD2 HIS 5 HD2 HIS 5 48.113 -9.171 8.930 33 HE1 HIS 5 HE1 HIS 5 44.550 -10.357 10.865 34 HE2 HIS 5 HE2 HIS 5 46.219 -10.964 9.052 35 H GLN 6 HN GLN 6 46.141 -4.573 11.792 36 HA GLN 6 HA GLN 6 43.492 -5.076 10.604 37 HB2 GLN 6 HB2 GLN 6 44.342 -4.318 13.404 38 HB3 GLN 6 HB1 GLN 6 42.659 -4.397 12.884 39 HG2 GLN 6 HG2 GLN 6 42.960 -6.762 12.255 40 HG3 GLN 6 HG1 GLN 6 44.640 -6.690 12.778 41 HE21 GLN 6 HE21 GLN 6 43.682 -8.529 14.242 42 HE22 GLN 6 HE22 GLN 6 43.037 -8.034 15.730 43 H ALA 7 HN ALA 7 42.482 -3.469 9.626 44 HA ALA 7 HA ALA 7 42.862 -0.706 10.488 45 HB1 ALA 7 HB1 ALA 7 44.602 -1.443 8.657 46 HB2 ALA 7 HB2 ALA 7 43.768 0.104 8.505 47 HB3 ALA 7 HB3 ALA 7 43.221 -1.290 7.570 48 H VAL 8 HN VAL 8 41.194 0.683 9.719 49 HA VAL 8 HA VAL 8 38.925 -0.708 8.418 50 HB VAL 8 HB VAL 8 38.880 1.220 10.738 51 HG11 VAL 8 HG11 VAL 8 37.081 1.951 9.375 52 HG12 VAL 8 HG12 VAL 8 36.335 0.804 10.491 53 HG13 VAL 8 HG13 VAL 8 36.718 0.309 8.841 54 HG21 VAL 8 HG21 VAL 8 38.340 -0.588 12.004 55 HG22 VAL 8 HG22 VAL 8 39.065 -1.510 10.689 56 HG23 VAL 8 HG23 VAL 8 37.322 -1.277 10.743 57 H ALA 9 HN ALA 9 37.961 0.342 6.774 58 HA ALA 9 HA ALA 9 39.250 2.638 5.654 59 HB1 ALA 9 HB1 ALA 9 37.187 0.741 4.861 60 HB2 ALA 9 HB2 ALA 9 38.300 1.668 3.857 61 HB3 ALA 9 HB3 ALA 9 36.780 2.388 4.385 62 H PHE 10 HN PHE 10 36.205 2.092 7.405 63 HA PHE 10 HA PHE 10 36.159 4.963 7.962 64 HB2 PHE 10 HB2 PHE 10 33.983 5.356 7.213 65 HB3 PHE 10 HB1 PHE 10 34.723 4.405 5.939 66 HD1 PHE 10 HD1 PHE 10 34.512 1.656 7.505 67 HD2 PHE 10 HD2 PHE 10 31.717 4.815 6.660 68 HE1 PHE 10 HE1 PHE 10 32.640 0.058 7.710 69 HE2 PHE 10 HE2 PHE 10 29.850 3.199 6.851 70 HZ PHE 10 HZ PHE 10 30.306 0.823 7.378 71 H GLN 11 HN GLN 11 35.429 5.572 9.903 72 HA GLN 11 HA GLN 11 34.207 3.512 11.646 73 HB2 GLN 11 HB2 GLN 11 36.454 5.421 12.304 74 HB3 GLN 11 HB1 GLN 11 35.515 4.583 13.535 75 HG2 GLN 11 HG2 GLN 11 36.152 2.414 12.571 76 HG3 GLN 11 HG1 GLN 11 37.061 3.238 11.305 77 HE21 GLN 11 HE21 GLN 11 38.759 1.684 12.564 78 HE22 GLN 11 HE22 GLN 11 39.638 2.470 13.783 79 H PHE 12 HN PHE 12 32.388 4.142 12.663 80 HA PHE 12 HA PHE 12 31.797 7.050 12.707 81 HB2 PHE 12 HB2 PHE 12 30.549 5.298 11.094 82 HB3 PHE 12 HB1 PHE 12 29.617 5.026 12.557 83 HD1 PHE 12 HD1 PHE 12 29.884 7.983 13.597 84 HD2 PHE 12 HD2 PHE 12 28.780 6.264 9.819 85 HE1 PHE 12 HE1 PHE 12 28.595 10.017 13.034 86 HE2 PHE 12 HE2 PHE 12 27.479 8.299 9.274 87 HZ PHE 12 HZ PHE 12 27.387 10.177 10.884 88 H THR 13 HN THR 13 31.557 7.742 14.855 89 HA THR 13 HA THR 13 30.525 5.761 16.817 90 HB THR 13 HB THR 13 32.497 7.744 17.773 91 HG1 THR 13 HG1 THR 13 33.579 7.058 15.986 92 HG21 THR 13 HG21 THR 13 33.142 5.900 19.208 93 HG22 THR 13 HG22 THR 13 32.158 4.779 18.271 94 HG23 THR 13 HG23 THR 13 31.386 6.040 19.228 95 H VAL 14 HN VAL 14 29.052 6.401 18.240 96 HA VAL 14 HA VAL 14 28.187 9.205 18.132 97 HB VAL 14 HB VAL 14 26.799 6.764 19.257 98 HG11 VAL 14 HG11 VAL 14 24.849 8.571 19.036 99 HG12 VAL 14 HG12 VAL 14 26.191 9.699 19.242 100 HG13 VAL 14 HG13 VAL 14 25.858 8.490 20.479 101 HG21 VAL 14 HG21 VAL 14 27.183 7.437 16.624 102 HG22 VAL 14 HG22 VAL 14 25.666 8.266 16.974 103 HG23 VAL 14 HG23 VAL 14 25.800 6.525 17.223 104 H THR 15 HN THR 15 28.616 10.580 19.814 105 HA THR 15 HA THR 15 29.258 9.322 22.414 106 HB THR 15 HB THR 15 30.581 11.724 22.487 107 HG1 THR 15 HG1 THR 15 31.386 10.654 20.049 108 HG21 THR 15 HG21 THR 15 31.566 9.730 23.328 109 HG22 THR 15 HG22 THR 15 32.626 10.255 22.028 110 HG23 THR 15 HG23 THR 15 31.484 8.939 21.756 111 HA PRO 16 HA PRO 16 26.096 11.787 24.272 112 HB2 PRO 16 HB2 PRO 16 28.112 13.033 26.071 113 HB3 PRO 16 HB1 PRO 16 26.628 12.154 26.479 114 HG2 PRO 16 HG2 PRO 16 29.118 11.119 26.751 115 HG3 PRO 16 HG1 PRO 16 27.665 10.145 26.487 116 HD2 PRO 16 HD2 PRO 16 29.896 10.681 24.644 117 HD3 PRO 16 HD1 PRO 16 28.659 9.409 24.585 118 H ASP 17 HN ASP 17 29.203 13.465 23.576 119 HA ASP 17 HA ASP 17 27.971 16.058 23.455 120 HB2 ASP 17 HB2 ASP 17 30.675 15.048 22.570 121 HB3 ASP 17 HB1 ASP 17 30.164 16.730 22.439 122 H GLY 18 HN GLY 18 28.215 13.410 21.188 123 HA2 GLY 18 HA2 GLY 18 26.593 14.471 19.298 124 HA3 GLY 18 HA1 GLY 18 28.160 15.155 18.878 125 H ILE 19 HN ILE 19 28.703 14.049 17.053 126 HA ILE 19 HA ILE 19 29.084 11.173 17.344 127 HB ILE 19 HB ILE 19 28.210 10.813 15.104 128 HG12 ILE 19 HG12 ILE 19 27.333 13.712 15.197 129 HG13 ILE 19 HG11 ILE 19 28.669 13.113 14.216 130 HG21 ILE 19 HG21 ILE 19 26.022 10.669 15.763 131 HG22 ILE 19 HG22 ILE 19 25.995 12.323 16.382 132 HG23 ILE 19 HG23 ILE 19 26.748 11.035 17.329 133 HD11 ILE 19 HD11 ILE 19 26.382 11.443 13.754 134 HD12 ILE 19 HD12 ILE 19 27.242 12.473 12.609 135 HD13 ILE 19 HD13 ILE 19 25.908 13.131 13.554 136 H ASP 20 HN ASP 20 30.668 10.339 15.998 137 HA ASP 20 HA ASP 20 32.504 12.296 14.747 138 HB2 ASP 20 HB2 ASP 20 33.208 10.003 16.588 139 HB3 ASP 20 HB1 ASP 20 34.392 10.861 15.597 140 H LEU 21 HN LEU 21 33.463 11.672 12.820 141 HA LEU 21 HA LEU 21 33.049 8.910 11.926 142 HB2 LEU 21 HB2 LEU 21 32.290 9.720 9.729 143 HB3 LEU 21 HB1 LEU 21 31.194 10.229 11.011 144 HG LEU 21 HG LEU 21 33.038 12.289 10.935 145 HD11 LEU 21 HD11 LEU 21 33.857 11.169 8.775 146 HD12 LEU 21 HD12 LEU 21 33.416 12.873 8.649 147 HD13 LEU 21 HD13 LEU 21 32.306 11.631 8.076 148 HD21 LEU 21 HD21 LEU 21 31.187 13.551 9.886 149 HD22 LEU 21 HD22 LEU 21 30.587 12.485 11.160 150 HD23 LEU 21 HD23 LEU 21 30.395 12.033 9.467 151 H ARG 22 HN ARG 22 34.878 8.125 11.215 152 HA ARG 22 HA ARG 22 36.951 9.976 10.166 153 HB2 ARG 22 HB2 ARG 22 37.308 7.555 11.933 154 HB3 ARG 22 HB1 ARG 22 38.632 8.409 11.149 155 HG2 ARG 22 HG2 ARG 22 37.972 10.496 12.315 156 HG3 ARG 22 HG1 ARG 22 36.657 9.626 13.110 157 HD2 ARG 22 HD2 ARG 22 38.243 8.146 14.215 158 HD3 ARG 22 HD1 ARG 22 39.583 8.885 13.345 159 HE ARG 22 HE ARG 22 39.437 10.752 14.762 160 HH11 ARG 22 HH21 ARG 22 36.863 8.493 15.283 161 HH12 ARG 22 HH22 ARG 22 36.341 9.231 16.755 162 HH21 ARG 22 HH11 ARG 22 38.738 11.715 16.697 163 HH22 ARG 22 HH12 ARG 22 37.383 11.047 17.547 164 H LEU 23 HN LEU 23 38.115 9.382 8.383 165 HA LEU 23 HA LEU 23 37.639 6.724 7.261 166 HB2 LEU 23 HB2 LEU 23 37.163 7.725 5.053 167 HB3 LEU 23 HB1 LEU 23 35.942 8.158 6.248 168 HG LEU 23 HG LEU 23 37.889 10.141 6.516 169 HD11 LEU 23 HD11 LEU 23 38.791 9.300 4.298 170 HD12 LEU 23 HD12 LEU 23 38.300 10.990 4.307 171 HD13 LEU 23 HD13 LEU 23 37.252 9.774 3.581 172 HD21 LEU 23 HD21 LEU 23 35.287 10.131 4.966 173 HD22 LEU 23 HD22 LEU 23 36.136 11.577 5.515 174 HD23 LEU 23 HD23 LEU 23 35.470 10.447 6.692 175 H SER 24 HN SER 24 39.404 5.928 6.285 176 HA SER 24 HA SER 24 41.875 7.381 6.510 177 HB2 SER 24 HB2 SER 24 42.926 5.355 6.020 178 HB3 SER 24 HB1 SER 24 41.439 4.856 6.821 179 HG SER 24 HG SER 24 42.126 3.902 4.652 180 H HIS 25 HN HIS 25 43.380 7.804 4.813 181 HA HIS 25 HA HIS 25 42.353 9.149 2.567 182 HB2 HIS 25 HB2 HIS 25 45.046 8.283 3.464 183 HB3 HIS 25 HB1 HIS 25 44.866 8.644 1.745 184 HD2 HIS 25 HD2 HIS 25 44.386 11.377 1.150 185 HE1 HIS 25 HE1 HIS 25 44.579 12.736 5.141 186 HE2 HIS 25 HE2 HIS 25 44.420 13.469 2.714 187 H GLU 26 HN GLU 26 43.264 5.887 3.106 188 HA GLU 26 HA GLU 26 43.416 4.981 0.412 189 HB2 GLU 26 HB2 GLU 26 44.307 3.756 2.411 190 HB3 GLU 26 HB1 GLU 26 42.644 3.422 2.897 191 HG2 GLU 26 HG2 GLU 26 43.437 1.494 1.693 192 HG3 GLU 26 HG1 GLU 26 42.300 2.331 0.642 193 H ALA 27 HN ALA 27 40.813 5.225 2.796 194 HA ALA 27 HA ALA 27 38.813 3.851 1.382 195 HB1 ALA 27 HB1 ALA 27 38.825 4.765 3.817 196 HB2 ALA 27 HB2 ALA 27 37.306 4.755 2.932 197 HB3 ALA 27 HB3 ALA 27 38.221 6.255 3.097 198 H LEU 28 HN LEU 28 40.009 7.110 1.205 199 HA LEU 28 HA LEU 28 37.971 8.164 -0.495 200 HB2 LEU 28 HB2 LEU 28 40.811 9.092 0.012 201 HB3 LEU 28 HB1 LEU 28 39.641 9.989 -0.946 202 HG LEU 28 HG LEU 28 39.229 9.176 1.947 203 HD11 LEU 28 HD11 LEU 28 39.309 11.955 1.767 204 HD12 LEU 28 HD12 LEU 28 40.625 11.429 0.719 205 HD13 LEU 28 HD13 LEU 28 40.583 10.922 2.409 206 HD21 LEU 28 HD21 LEU 28 37.467 11.145 1.553 207 HD22 LEU 28 HD22 LEU 28 37.069 9.472 1.170 208 HD23 LEU 28 HD23 LEU 28 37.568 10.577 -0.112 209 H ARG 29 HN ARG 29 41.080 6.643 -1.060 210 HA ARG 29 HA ARG 29 41.250 7.108 -3.828 211 HB2 ARG 29 HB2 ARG 29 43.159 6.353 -2.453 212 HB3 ARG 29 HB1 ARG 29 42.377 4.786 -2.254 213 HG2 ARG 29 HG2 ARG 29 42.427 4.441 -4.702 214 HG3 ARG 29 HG1 ARG 29 43.199 6.015 -4.905 215 HD2 ARG 29 HD2 ARG 29 45.056 5.198 -3.412 216 HD3 ARG 29 HD1 ARG 29 44.309 3.602 -3.458 217 HE ARG 29 HE ARG 29 45.754 4.900 -5.622 218 HH11 ARG 29 HH21 ARG 29 43.496 2.454 -4.662 219 HH12 ARG 29 HH22 ARG 29 43.836 1.422 -6.010 220 HH21 ARG 29 HH11 ARG 29 46.198 3.554 -7.394 221 HH22 ARG 29 HH12 ARG 29 45.360 2.049 -7.564 222 H GLN 30 HN GLN 30 39.785 4.369 -2.053 223 HA GLN 30 HA GLN 30 39.197 2.914 -4.441 224 HB2 GLN 30 HB2 GLN 30 38.061 2.729 -1.640 225 HB3 GLN 30 HB1 GLN 30 37.631 1.625 -2.950 226 HG2 GLN 30 HG2 GLN 30 39.973 0.968 -3.216 227 HG3 GLN 30 HG1 GLN 30 40.456 2.119 -1.967 228 HE21 GLN 30 HE21 GLN 30 41.269 -0.293 -1.265 229 HE22 GLN 30 HE22 GLN 30 40.229 -1.061 -0.168 230 H ILE 31 HN ILE 31 37.415 5.159 -2.402 231 HA ILE 31 HA ILE 31 34.937 4.927 -3.702 232 HB ILE 31 HB ILE 31 36.141 7.161 -2.074 233 HG12 ILE 31 HG12 ILE 31 33.932 5.217 -1.385 234 HG13 ILE 31 HG11 ILE 31 35.632 4.868 -1.049 235 HG21 ILE 31 HG21 ILE 31 33.629 7.771 -1.868 236 HG22 ILE 31 HG22 ILE 31 33.427 6.826 -3.342 237 HG23 ILE 31 HG23 ILE 31 34.470 8.247 -3.343 238 HD11 ILE 31 HD11 ILE 31 35.822 6.803 0.372 239 HD12 ILE 31 HD12 ILE 31 34.371 5.937 0.873 240 HD13 ILE 31 HD13 ILE 31 34.234 7.386 -0.116 241 H TYR 32 HN TYR 32 37.618 7.276 -4.310 242 HA TYR 32 HA TYR 32 36.190 8.777 -6.221 243 HB2 TYR 32 HB2 TYR 32 38.230 9.666 -5.314 244 HB3 TYR 32 HB1 TYR 32 39.163 8.296 -5.919 245 HD1 TYR 32 HD2 TYR 32 37.071 11.204 -7.015 246 HD2 TYR 32 HD1 TYR 32 40.008 8.271 -8.116 247 HE1 TYR 32 HE2 TYR 32 37.415 12.364 -9.186 248 HE2 TYR 32 HE1 TYR 32 40.355 9.426 -10.284 249 HH TYR 32 HH TYR 32 40.040 11.831 -11.158 250 H LEU 33 HN LEU 33 38.439 6.027 -6.703 251 HA LEU 33 HA LEU 33 38.159 5.958 -9.513 252 HB2 LEU 33 HB2 LEU 33 38.868 3.795 -7.533 253 HB3 LEU 33 HB1 LEU 33 38.994 3.602 -9.277 254 HG LEU 33 HG LEU 33 40.378 5.796 -7.713 255 HD11 LEU 33 HD11 LEU 33 41.330 3.691 -7.025 256 HD12 LEU 33 HD12 LEU 33 42.444 4.428 -8.175 257 HD13 LEU 33 HD13 LEU 33 41.384 3.117 -8.692 258 HD21 LEU 33 HD21 LEU 33 40.063 5.171 -10.571 259 HD22 LEU 33 HD22 LEU 33 41.744 5.352 -10.080 260 HD23 LEU 33 HD23 LEU 33 40.600 6.663 -9.795 261 H SER 34 HN SER 34 36.351 4.238 -6.950 262 HA SER 34 HA SER 34 34.846 2.584 -8.652 263 HB2 SER 34 HB2 SER 34 33.265 2.420 -6.780 264 HB3 SER 34 HB1 SER 34 34.921 2.305 -6.202 265 HG SER 34 HG SER 34 33.033 4.324 -5.877 266 H GLY 35 HN GLY 35 34.463 5.917 -7.664 267 HA2 GLY 35 HA2 GLY 35 31.873 6.345 -8.797 268 HA3 GLY 35 HA1 GLY 35 33.018 7.590 -8.312 269 H LEU 36 HN LEU 36 35.192 6.779 -9.884 270 HA LEU 36 HA LEU 36 34.698 8.131 -12.277 271 HB2 LEU 36 HB2 LEU 36 36.935 7.949 -11.255 272 HB3 LEU 36 HB1 LEU 36 36.961 6.227 -11.621 273 HG LEU 36 HG LEU 36 36.781 6.742 -14.039 274 HD11 LEU 36 HD11 LEU 36 35.722 8.761 -14.343 275 HD12 LEU 36 HD12 LEU 36 37.389 9.324 -14.433 276 HD13 LEU 36 HD13 LEU 36 36.481 9.495 -12.935 277 HD21 LEU 36 HD21 LEU 36 39.034 6.755 -14.026 278 HD22 LEU 36 HD22 LEU 36 39.008 7.224 -12.331 279 HD23 LEU 36 HD23 LEU 36 39.036 8.459 -13.588 280 H HIS 37 HN HIS 37 34.676 4.698 -11.506 281 HA HIS 37 HA HIS 37 34.434 3.808 -14.228 282 HB2 HIS 37 HB2 HIS 37 33.909 2.444 -11.587 283 HB3 HIS 37 HB1 HIS 37 33.836 1.632 -13.153 284 HD2 HIS 37 HD2 HIS 37 36.410 2.248 -10.489 285 HE1 HIS 37 HE1 HIS 37 38.650 1.929 -14.050 286 HE2 HIS 37 HE2 HIS 37 38.796 2.001 -11.515 287 H SER 38 HN SER 38 32.273 4.884 -11.757 288 HA SER 38 HA SER 38 29.864 3.722 -12.704 289 HB2 SER 38 HB2 SER 38 30.157 6.364 -11.279 290 HB3 SER 38 HB1 SER 38 28.751 5.301 -11.286 291 HG SER 38 HG SER 38 31.153 4.169 -10.490 292 H TRP 39 HN TRP 39 31.921 5.848 -14.265 293 HA TRP 39 HA TRP 39 29.946 7.568 -15.452 294 HB2 TRP 39 HB2 TRP 39 32.874 7.078 -15.847 295 HB3 TRP 39 HB1 TRP 39 31.962 7.944 -17.084 296 HD1 TRP 39 HD1 TRP 39 32.582 8.125 -13.273 297 HE1 TRP 39 HE1 TRP 39 32.470 10.602 -12.568 298 HE3 TRP 39 HE3 TRP 39 31.299 10.229 -17.728 299 HZ2 TRP 39 HZ2 TRP 39 31.894 13.141 -13.746 300 HZ3 TRP 39 HZ3 TRP 39 30.963 12.676 -17.913 301 HH2 TRP 39 HH2 TRP 39 31.259 14.134 -15.931 302 H LYS 40 HN LYS 40 31.283 4.444 -16.104 303 HA LYS 40 HA LYS 40 30.639 4.340 -18.887 304 HB2 LYS 40 HB2 LYS 40 32.300 2.845 -17.804 305 HB3 LYS 40 HB1 LYS 40 30.985 2.063 -16.925 306 HG2 LYS 40 HG2 LYS 40 29.941 1.358 -18.989 307 HG3 LYS 40 HG1 LYS 40 31.120 2.260 -19.947 308 HD2 LYS 40 HD2 LYS 40 32.930 0.835 -19.018 309 HD3 LYS 40 HD1 LYS 40 31.722 -0.096 -18.129 310 HE2 LYS 40 HE2 LYS 40 31.872 0.200 -21.144 311 HE3 LYS 40 HE1 LYS 40 32.300 -1.238 -20.220 312 HZ1 LYS 40 HZ1 LYS 40 29.900 -0.850 -21.264 313 HZ2 LYS 40 HZ2 LYS 40 29.652 -0.151 -19.741 314 HZ3 LYS 40 HZ3 LYS 40 30.155 -1.761 -19.860 315 H LYS 41 HN LYS 41 28.708 3.953 -19.847 316 HA LYS 41 HA LYS 41 26.370 3.628 -18.173 317 HB2 LYS 41 HB2 LYS 41 26.310 5.054 -20.193 318 HB3 LYS 41 HB1 LYS 41 26.575 3.629 -21.194 319 HG2 LYS 41 HG2 LYS 41 24.500 2.620 -20.330 320 HG3 LYS 41 HG1 LYS 41 24.243 4.027 -19.299 321 HD2 LYS 41 HD2 LYS 41 24.153 5.464 -21.297 322 HD3 LYS 41 HD1 LYS 41 24.396 4.047 -22.320 323 HE2 LYS 41 HE2 LYS 41 22.318 3.059 -21.482 324 HE3 LYS 41 HE1 LYS 41 22.069 4.444 -20.419 325 HZ1 LYS 41 HZ1 LYS 41 21.415 5.734 -22.110 326 HZ2 LYS 41 HZ2 LYS 41 21.101 4.261 -22.905 327 HZ3 LYS 41 HZ3 LYS 41 22.558 5.093 -23.190 328 H LYS 42 HN LYS 42 25.312 1.778 -17.712 329 HA LYS 42 HA LYS 42 26.432 -0.751 -18.476 330 HB2 LYS 42 HB2 LYS 42 25.305 -0.278 -16.273 331 HB3 LYS 42 HB1 LYS 42 23.767 -0.248 -17.139 332 HG2 LYS 42 HG2 LYS 42 24.122 -2.538 -17.925 333 HG3 LYS 42 HG1 LYS 42 25.708 -2.578 -17.157 334 HD2 LYS 42 HD2 LYS 42 24.652 -2.275 -14.949 335 HD3 LYS 42 HD1 LYS 42 23.065 -2.250 -15.711 336 HE2 LYS 42 HE2 LYS 42 23.471 -4.534 -16.606 337 HE3 LYS 42 HE1 LYS 42 25.028 -4.559 -15.777 338 HZ1 LYS 42 HZ1 LYS 42 22.844 -3.822 -14.073 339 HZ2 LYS 42 HZ2 LYS 42 24.071 -4.978 -13.832 340 HZ3 LYS 42 HZ3 LYS 42 22.679 -5.381 -14.722 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 54.742 -2.246 -1.769 2 H2 MET 1 HT2 MET 1 53.790 -3.078 -0.634 3 H3 MET 1 HT3 MET 1 55.173 -2.228 -0.130 4 HA MET 1 HA MET 1 54.102 -0.146 -0.927 5 HB2 MET 1 HB2 MET 1 51.775 -2.071 -1.173 6 HB3 MET 1 HB1 MET 1 51.601 -0.315 -1.164 7 HG2 MET 1 HG2 MET 1 53.130 -0.178 -3.118 8 HG3 MET 1 HG1 MET 1 53.220 -1.937 -3.152 9 HE1 MET 1 HE1 MET 1 50.017 -2.843 -2.542 10 HE2 MET 1 HE2 MET 1 51.472 -3.451 -3.328 11 HE3 MET 1 HE3 MET 1 49.992 -3.251 -4.262 12 H ALA 2 HN ALA 2 54.106 -2.616 1.282 13 HA ALA 2 HA ALA 2 53.776 -2.744 3.548 14 HB1 ALA 2 HB1 ALA 2 54.122 -0.751 4.825 15 HB2 ALA 2 HB2 ALA 2 53.647 0.273 3.470 16 HB3 ALA 2 HB3 ALA 2 55.158 -0.635 3.402 17 H GLU 3 HN GLU 3 51.736 -3.707 3.438 18 HA GLU 3 HA GLU 3 49.427 -1.888 3.733 19 HB2 GLU 3 HB2 GLU 3 49.614 -4.765 2.836 20 HB3 GLU 3 HB1 GLU 3 48.088 -3.940 3.162 21 HG2 GLU 3 HG2 GLU 3 48.566 -2.268 1.469 22 HG3 GLU 3 HG1 GLU 3 50.175 -2.937 1.208 23 H ALA 4 HN ALA 4 48.528 -1.712 5.672 24 HA ALA 4 HA ALA 4 49.509 -3.113 7.932 25 HB1 ALA 4 HB1 ALA 4 48.319 -1.598 9.111 26 HB2 ALA 4 HB2 ALA 4 46.835 -1.931 8.217 27 HB3 ALA 4 HB3 ALA 4 48.038 -0.827 7.551 28 H HIS 5 HN HIS 5 48.587 -4.742 9.171 29 HA HIS 5 HA HIS 5 47.141 -6.733 7.760 30 HB2 HIS 5 HB2 HIS 5 47.764 -6.397 10.700 31 HB3 HIS 5 HB1 HIS 5 46.984 -7.829 10.019 32 HD2 HIS 5 HD2 HIS 5 50.539 -6.349 10.380 33 HE1 HIS 5 HE1 HIS 5 50.850 -9.639 7.750 34 HE2 HIS 5 HE2 HIS 5 52.169 -7.950 9.111 35 H GLN 6 HN GLN 6 46.212 -4.333 10.183 36 HA GLN 6 HA GLN 6 43.369 -5.001 9.685 37 HB2 GLN 6 HB2 GLN 6 44.651 -3.738 12.125 38 HB3 GLN 6 HB1 GLN 6 42.923 -4.020 11.913 39 HG2 GLN 6 HG2 GLN 6 45.034 -6.194 11.846 40 HG3 GLN 6 HG1 GLN 6 44.041 -5.811 13.250 41 HE21 GLN 6 HE21 GLN 6 44.210 -7.998 10.792 42 HE22 GLN 6 HE22 GLN 6 42.560 -8.342 10.593 43 H ALA 7 HN ALA 7 42.186 -3.468 8.701 44 HA ALA 7 HA ALA 7 42.898 -0.649 8.994 45 HB1 ALA 7 HB1 ALA 7 43.616 -0.276 6.873 46 HB2 ALA 7 HB2 ALA 7 42.469 -1.425 6.183 47 HB3 ALA 7 HB3 ALA 7 43.981 -2.002 6.885 48 H VAL 8 HN VAL 8 41.163 0.728 8.710 49 HA VAL 8 HA VAL 8 38.617 -0.498 7.837 50 HB VAL 8 HB VAL 8 37.472 0.922 9.552 51 HG11 VAL 8 HG11 VAL 8 37.484 -1.099 10.551 52 HG12 VAL 8 HG12 VAL 8 38.886 -0.539 11.462 53 HG13 VAL 8 HG13 VAL 8 39.110 -1.452 9.970 54 HG21 VAL 8 HG21 VAL 8 40.106 1.990 9.821 55 HG22 VAL 8 HG22 VAL 8 39.690 1.201 11.343 56 HG23 VAL 8 HG23 VAL 8 38.648 2.466 10.692 57 H ALA 9 HN ALA 9 37.551 0.590 6.320 58 HA ALA 9 HA ALA 9 38.674 2.931 5.143 59 HB1 ALA 9 HB1 ALA 9 37.567 1.952 3.456 60 HB2 ALA 9 HB2 ALA 9 36.113 2.695 4.122 61 HB3 ALA 9 HB3 ALA 9 36.535 1.040 4.560 62 H PHE 10 HN PHE 10 35.719 2.370 7.082 63 HA PHE 10 HA PHE 10 35.805 5.209 7.765 64 HB2 PHE 10 HB2 PHE 10 33.168 5.108 7.454 65 HB3 PHE 10 HB1 PHE 10 34.256 5.611 6.171 66 HD1 PHE 10 HD1 PHE 10 33.972 2.056 7.252 67 HD2 PHE 10 HD2 PHE 10 32.779 5.008 4.370 68 HE1 PHE 10 HE1 PHE 10 33.121 0.271 5.785 69 HE2 PHE 10 HE2 PHE 10 31.919 3.209 2.900 70 HZ PHE 10 HZ PHE 10 32.090 0.840 3.609 71 H GLN 11 HN GLN 11 34.961 5.808 9.697 72 HA GLN 11 HA GLN 11 33.707 3.706 11.356 73 HB2 GLN 11 HB2 GLN 11 36.099 5.390 12.090 74 HB3 GLN 11 HB1 GLN 11 35.121 4.539 13.283 75 HG2 GLN 11 HG2 GLN 11 36.426 3.185 10.910 76 HG3 GLN 11 HG1 GLN 11 37.155 3.261 12.514 77 HE21 GLN 11 HE21 GLN 11 36.078 0.875 10.942 78 HE22 GLN 11 HE22 GLN 11 34.961 0.147 11.993 79 H PHE 12 HN PHE 12 32.054 4.336 12.587 80 HA PHE 12 HA PHE 12 31.600 7.234 12.896 81 HB2 PHE 12 HB2 PHE 12 30.037 6.583 11.283 82 HB3 PHE 12 HB1 PHE 12 29.788 5.009 12.019 83 HD1 PHE 12 HD1 PHE 12 29.796 8.188 13.979 84 HD2 PHE 12 HD2 PHE 12 27.415 5.136 12.114 85 HE1 PHE 12 HE1 PHE 12 27.795 8.999 15.190 86 HE2 PHE 12 HE2 PHE 12 25.415 5.964 13.313 87 HZ PHE 12 HZ PHE 12 25.602 7.896 14.851 88 H THR 13 HN THR 13 31.576 7.755 15.020 89 HA THR 13 HA THR 13 30.548 5.728 16.933 90 HB THR 13 HB THR 13 32.633 7.585 17.896 91 HG1 THR 13 HG1 THR 13 34.199 6.000 17.089 92 HG21 THR 13 HG21 THR 13 31.351 5.660 19.120 93 HG22 THR 13 HG22 THR 13 33.083 5.847 19.392 94 HG23 THR 13 HG23 THR 13 32.495 4.612 18.279 95 H VAL 14 HN VAL 14 29.100 6.367 18.350 96 HA VAL 14 HA VAL 14 28.350 9.204 18.382 97 HB VAL 14 HB VAL 14 26.898 6.747 19.393 98 HG11 VAL 14 HG11 VAL 14 26.389 9.682 19.646 99 HG12 VAL 14 HG12 VAL 14 26.043 8.383 20.787 100 HG13 VAL 14 HG13 VAL 14 25.005 8.619 19.381 101 HG21 VAL 14 HG21 VAL 14 26.170 8.616 17.124 102 HG22 VAL 14 HG22 VAL 14 25.434 7.062 17.518 103 HG23 VAL 14 HG23 VAL 14 27.078 7.122 16.879 104 H THR 15 HN THR 15 28.882 10.481 20.084 105 HA THR 15 HA THR 15 29.540 9.125 22.628 106 HB THR 15 HB THR 15 31.638 9.905 22.134 107 HG1 THR 15 HG1 THR 15 30.510 12.378 22.902 108 HG21 THR 15 HG21 THR 15 31.945 12.090 20.818 109 HG22 THR 15 HG22 THR 15 30.217 11.991 20.483 110 HG23 THR 15 HG23 THR 15 31.295 10.710 19.930 111 HA PRO 16 HA PRO 16 26.471 11.600 24.632 112 HB2 PRO 16 HB2 PRO 16 28.616 12.694 26.392 113 HB3 PRO 16 HB1 PRO 16 27.082 11.928 26.838 114 HG2 PRO 16 HG2 PRO 16 29.458 10.679 27.044 115 HG3 PRO 16 HG1 PRO 16 27.942 9.829 26.714 116 HD2 PRO 16 HD2 PRO 16 30.220 10.330 24.909 117 HD3 PRO 16 HD1 PRO 16 28.931 9.113 24.799 118 H ASP 17 HN ASP 17 29.630 13.149 23.962 119 HA ASP 17 HA ASP 17 28.583 15.803 23.934 120 HB2 ASP 17 HB2 ASP 17 31.172 14.599 22.958 121 HB3 ASP 17 HB1 ASP 17 30.805 16.318 22.830 122 H GLY 18 HN GLY 18 28.582 13.239 21.530 123 HA2 GLY 18 HA2 GLY 18 26.925 14.454 19.766 124 HA3 GLY 18 HA1 GLY 18 28.495 15.097 19.304 125 H ILE 19 HN ILE 19 28.867 14.093 17.392 126 HA ILE 19 HA ILE 19 29.075 11.171 17.415 127 HB ILE 19 HB ILE 19 28.273 11.248 15.048 128 HG12 ILE 19 HG12 ILE 19 27.420 14.057 15.774 129 HG13 ILE 19 HG11 ILE 19 28.777 13.676 14.716 130 HG21 ILE 19 HG21 ILE 19 26.766 11.261 17.406 131 HG22 ILE 19 HG22 ILE 19 26.207 10.745 15.816 132 HG23 ILE 19 HG23 ILE 19 25.941 12.404 16.347 133 HD11 ILE 19 HD11 ILE 19 27.001 12.261 13.398 134 HD12 ILE 19 HD12 ILE 19 27.056 14.009 13.181 135 HD13 ILE 19 HD13 ILE 19 25.839 13.290 14.235 136 H ASP 20 HN ASP 20 30.686 10.371 16.121 137 HA ASP 20 HA ASP 20 32.608 12.332 15.004 138 HB2 ASP 20 HB2 ASP 20 33.194 9.842 16.619 139 HB3 ASP 20 HB1 ASP 20 34.415 10.727 15.705 140 H LEU 21 HN LEU 21 33.427 11.863 12.982 141 HA LEU 21 HA LEU 21 32.774 9.222 11.846 142 HB2 LEU 21 HB2 LEU 21 32.393 11.954 10.579 143 HB3 LEU 21 HB1 LEU 21 32.304 10.442 9.684 144 HG LEU 21 HG LEU 21 30.569 11.007 12.102 145 HD11 LEU 21 HD11 LEU 21 30.300 11.836 9.240 146 HD12 LEU 21 HD12 LEU 21 29.785 12.676 10.703 147 HD13 LEU 21 HD13 LEU 21 28.845 11.316 10.090 148 HD21 LEU 21 HD21 LEU 21 29.404 9.331 10.076 149 HD22 LEU 21 HD22 LEU 21 29.818 8.907 11.735 150 HD23 LEU 21 HD23 LEU 21 31.008 8.710 10.450 151 H ARG 22 HN ARG 22 34.575 8.312 11.157 152 HA ARG 22 HA ARG 22 36.800 10.038 10.224 153 HB2 ARG 22 HB2 ARG 22 36.915 7.566 11.940 154 HB3 ARG 22 HB1 ARG 22 38.324 8.209 11.096 155 HG2 ARG 22 HG2 ARG 22 38.017 10.378 12.230 156 HG3 ARG 22 HG1 ARG 22 36.610 9.735 13.078 157 HD2 ARG 22 HD2 ARG 22 37.994 8.073 14.198 158 HD3 ARG 22 HD1 ARG 22 39.401 8.570 13.268 159 HE ARG 22 HE ARG 22 39.459 10.613 14.509 160 HH11 ARG 22 HH21 ARG 22 37.022 8.371 15.600 161 HH12 ARG 22 HH22 ARG 22 36.825 9.156 17.129 162 HH21 ARG 22 HH11 ARG 22 39.170 11.619 16.494 163 HH22 ARG 22 HH12 ARG 22 38.031 10.986 17.635 164 H LEU 23 HN LEU 23 37.857 9.530 8.388 165 HA LEU 23 HA LEU 23 37.252 6.945 7.138 166 HB2 LEU 23 HB2 LEU 23 36.992 9.637 5.767 167 HB3 LEU 23 HB1 LEU 23 36.876 8.066 4.975 168 HG LEU 23 HG LEU 23 35.051 7.679 6.908 169 HD11 LEU 23 HD11 LEU 23 33.899 9.613 7.557 170 HD12 LEU 23 HD12 LEU 23 34.585 10.578 6.250 171 HD13 LEU 23 HD13 LEU 23 35.580 10.138 7.635 172 HD21 LEU 23 HD21 LEU 23 34.594 9.196 4.319 173 HD22 LEU 23 HD22 LEU 23 33.346 8.347 5.230 174 HD23 LEU 23 HD23 LEU 23 34.666 7.442 4.491 175 H SER 24 HN SER 24 38.996 6.063 6.273 176 HA SER 24 HA SER 24 41.542 7.354 6.547 177 HB2 SER 24 HB2 SER 24 40.659 4.680 5.490 178 HB3 SER 24 HB1 SER 24 42.334 5.211 5.372 179 HG SER 24 HG SER 24 41.953 4.057 7.303 180 H HIS 25 HN HIS 25 42.954 8.002 4.986 181 HA HIS 25 HA HIS 25 41.980 9.292 2.715 182 HB2 HIS 25 HB2 HIS 25 44.735 8.304 3.439 183 HB3 HIS 25 HB1 HIS 25 44.421 9.164 1.932 184 HD2 HIS 25 HD2 HIS 25 44.680 9.933 5.760 185 HE1 HIS 25 HE1 HIS 25 43.843 13.559 3.766 186 HE2 HIS 25 HE2 HIS 25 44.484 12.528 5.995 187 H GLU 26 HN GLU 26 42.885 6.027 3.281 188 HA GLU 26 HA GLU 26 43.132 5.180 0.565 189 HB2 GLU 26 HB2 GLU 26 42.525 3.643 3.098 190 HB3 GLU 26 HB1 GLU 26 42.803 2.889 1.528 191 HG2 GLU 26 HG2 GLU 26 45.037 3.885 1.411 192 HG3 GLU 26 HG1 GLU 26 44.766 4.717 2.943 193 H ALA 27 HN ALA 27 40.482 5.379 2.877 194 HA ALA 27 HA ALA 27 38.520 3.971 1.437 195 HB1 ALA 27 HB1 ALA 27 37.515 6.298 2.910 196 HB2 ALA 27 HB2 ALA 27 38.631 5.313 3.854 197 HB3 ALA 27 HB3 ALA 27 37.187 4.580 3.158 198 H LEU 28 HN LEU 28 39.747 7.189 1.244 199 HA LEU 28 HA LEU 28 37.758 8.274 -0.504 200 HB2 LEU 28 HB2 LEU 28 40.579 9.141 0.135 201 HB3 LEU 28 HB1 LEU 28 39.488 10.073 -0.880 202 HG LEU 28 HG LEU 28 38.841 9.210 1.958 203 HD11 LEU 28 HD11 LEU 28 39.554 11.273 2.767 204 HD12 LEU 28 HD12 LEU 28 39.456 12.045 1.185 205 HD13 LEU 28 HD13 LEU 28 40.782 10.944 1.547 206 HD21 LEU 28 HD21 LEU 28 37.294 11.388 1.393 207 HD22 LEU 28 HD22 LEU 28 36.758 9.723 1.177 208 HD23 LEU 28 HD23 LEU 28 37.381 10.635 -0.195 209 H ARG 29 HN ARG 29 40.903 6.755 -0.967 210 HA ARG 29 HA ARG 29 41.137 7.222 -3.730 211 HB2 ARG 29 HB2 ARG 29 43.026 6.500 -2.313 212 HB3 ARG 29 HB1 ARG 29 42.269 4.916 -2.128 213 HG2 ARG 29 HG2 ARG 29 42.425 4.497 -4.508 214 HG3 ARG 29 HG1 ARG 29 43.000 6.137 -4.804 215 HD2 ARG 29 HD2 ARG 29 44.897 4.600 -4.805 216 HD3 ARG 29 HD1 ARG 29 44.998 5.663 -3.405 217 HE ARG 29 HE ARG 29 43.607 3.301 -2.691 218 HH11 ARG 29 HH21 ARG 29 46.742 4.472 -3.566 219 HH12 ARG 29 HH22 ARG 29 47.597 3.281 -2.643 220 HH21 ARG 29 HH11 ARG 29 44.717 1.746 -1.469 221 HH22 ARG 29 HH12 ARG 29 46.448 1.738 -1.455 222 H GLN 30 HN GLN 30 39.586 4.549 -1.974 223 HA GLN 30 HA GLN 30 39.059 3.007 -4.320 224 HB2 GLN 30 HB2 GLN 30 37.839 2.984 -1.555 225 HB3 GLN 30 HB1 GLN 30 37.443 1.810 -2.813 226 HG2 GLN 30 HG2 GLN 30 39.804 1.168 -2.982 227 HG3 GLN 30 HG1 GLN 30 40.227 2.366 -1.762 228 HE21 GLN 30 HE21 GLN 30 41.052 0.050 -0.902 229 HE22 GLN 30 HE22 GLN 30 39.978 -0.714 0.168 230 H ILE 31 HN ILE 31 37.227 5.360 -2.437 231 HA ILE 31 HA ILE 31 34.804 5.061 -3.822 232 HB ILE 31 HB ILE 31 35.954 7.373 -2.259 233 HG12 ILE 31 HG12 ILE 31 33.701 5.470 -1.567 234 HG13 ILE 31 HG11 ILE 31 35.379 5.121 -1.160 235 HG21 ILE 31 HG21 ILE 31 33.361 7.910 -2.207 236 HG22 ILE 31 HG22 ILE 31 33.370 7.045 -3.744 237 HG23 ILE 31 HG23 ILE 31 34.365 8.486 -3.539 238 HD11 ILE 31 HD11 ILE 31 33.995 6.276 0.655 239 HD12 ILE 31 HD12 ILE 31 34.035 7.711 -0.367 240 HD13 ILE 31 HD13 ILE 31 35.537 7.032 0.260 241 H TYR 32 HN TYR 32 37.505 7.371 -4.456 242 HA TYR 32 HA TYR 32 36.170 8.759 -6.523 243 HB2 TYR 32 HB2 TYR 32 38.167 9.680 -5.536 244 HB3 TYR 32 HB1 TYR 32 39.118 8.286 -6.049 245 HD1 TYR 32 HD2 TYR 32 36.914 10.983 -7.428 246 HD2 TYR 32 HD1 TYR 32 40.242 8.355 -8.107 247 HE1 TYR 32 HE2 TYR 32 37.344 12.089 -9.606 248 HE2 TYR 32 HE1 TYR 32 40.672 9.461 -10.286 249 HH TYR 32 HH TYR 32 40.203 11.337 -11.513 250 H LEU 33 HN LEU 33 38.423 6.003 -6.681 251 HA LEU 33 HA LEU 33 38.364 5.736 -9.487 252 HB2 LEU 33 HB2 LEU 33 39.108 3.941 -7.215 253 HB3 LEU 33 HB1 LEU 33 38.946 3.247 -8.821 254 HG LEU 33 HG LEU 33 40.539 5.134 -9.604 255 HD11 LEU 33 HD11 LEU 33 41.731 6.362 -8.054 256 HD12 LEU 33 HD12 LEU 33 41.562 5.139 -6.797 257 HD13 LEU 33 HD13 LEU 33 40.217 6.207 -7.172 258 HD21 LEU 33 HD21 LEU 33 41.189 2.781 -9.444 259 HD22 LEU 33 HD22 LEU 33 41.481 2.961 -7.715 260 HD23 LEU 33 HD23 LEU 33 42.506 3.807 -8.873 261 H SER 34 HN SER 34 36.316 4.193 -6.983 262 HA SER 34 HA SER 34 34.956 2.461 -8.746 263 HB2 SER 34 HB2 SER 34 34.060 3.707 -6.140 264 HB3 SER 34 HB1 SER 34 33.163 2.454 -6.996 265 HG SER 34 HG SER 34 34.866 1.906 -5.283 266 H GLY 35 HN GLY 35 34.440 5.827 -7.882 267 HA2 GLY 35 HA2 GLY 35 31.934 6.123 -9.231 268 HA3 GLY 35 HA1 GLY 35 32.990 7.431 -8.701 269 H LEU 36 HN LEU 36 35.304 6.576 -10.064 270 HA LEU 36 HA LEU 36 34.993 7.868 -12.526 271 HB2 LEU 36 HB2 LEU 36 37.132 7.648 -11.242 272 HB3 LEU 36 HB1 LEU 36 37.193 5.957 -11.728 273 HG LEU 36 HG LEU 36 37.167 6.673 -14.118 274 HD11 LEU 36 HD11 LEU 36 37.915 9.217 -14.301 275 HD12 LEU 36 HD12 LEU 36 36.996 9.365 -12.805 276 HD13 LEU 36 HD13 LEU 36 36.207 8.785 -14.272 277 HD21 LEU 36 HD21 LEU 36 39.330 7.726 -12.283 278 HD22 LEU 36 HD22 LEU 36 39.494 7.726 -14.039 279 HD23 LEU 36 HD23 LEU 36 39.313 6.201 -13.170 280 H HIS 37 HN HIS 37 34.952 4.462 -11.646 281 HA HIS 37 HA HIS 37 34.924 3.503 -14.358 282 HB2 HIS 37 HB2 HIS 37 34.225 2.161 -11.732 283 HB3 HIS 37 HB1 HIS 37 34.331 1.330 -13.285 284 HD2 HIS 37 HD2 HIS 37 37.125 3.719 -13.557 285 HE1 HIS 37 HE1 HIS 37 38.813 0.515 -11.387 286 HE2 HIS 37 HE2 HIS 37 39.336 2.619 -12.708 287 H SER 38 HN SER 38 32.623 4.612 -12.041 288 HA SER 38 HA SER 38 30.262 3.435 -13.124 289 HB2 SER 38 HB2 SER 38 30.392 6.077 -11.673 290 HB3 SER 38 HB1 SER 38 29.061 4.924 -11.716 291 HG SER 38 HG SER 38 31.386 3.804 -10.856 292 H TRP 39 HN TRP 39 32.396 5.646 -14.480 293 HA TRP 39 HA TRP 39 30.568 7.448 -15.698 294 HB2 TRP 39 HB2 TRP 39 32.999 7.896 -15.419 295 HB3 TRP 39 HB1 TRP 39 33.341 6.650 -16.617 296 HD1 TRP 39 HD1 TRP 39 31.848 10.141 -16.247 297 HE1 TRP 39 HE1 TRP 39 31.679 11.229 -18.576 298 HE3 TRP 39 HE3 TRP 39 33.132 6.161 -19.180 299 HZ2 TRP 39 HZ2 TRP 39 32.038 10.510 -21.320 300 HZ3 TRP 39 HZ3 TRP 39 33.208 6.392 -21.646 301 HH2 TRP 39 HH2 TRP 39 32.663 8.559 -22.720 302 H LYS 40 HN LYS 40 31.911 4.319 -16.608 303 HA LYS 40 HA LYS 40 30.810 4.403 -19.282 304 HB2 LYS 40 HB2 LYS 40 31.955 2.100 -17.674 305 HB3 LYS 40 HB1 LYS 40 31.536 2.036 -19.387 306 HG2 LYS 40 HG2 LYS 40 33.146 3.881 -19.827 307 HG3 LYS 40 HG1 LYS 40 33.594 3.872 -18.123 308 HD2 LYS 40 HD2 LYS 40 34.315 1.505 -18.337 309 HD3 LYS 40 HD1 LYS 40 33.912 1.557 -20.054 310 HE2 LYS 40 HE2 LYS 40 35.549 3.356 -20.408 311 HE3 LYS 40 HE1 LYS 40 35.930 3.362 -18.687 312 HZ1 LYS 40 HZ1 LYS 40 37.555 2.080 -19.896 313 HZ2 LYS 40 HZ2 LYS 40 36.340 1.097 -20.564 314 HZ3 LYS 40 HZ3 LYS 40 36.653 1.050 -18.895 315 H LYS 41 HN LYS 41 28.855 3.661 -19.947 316 HA LYS 41 HA LYS 41 26.890 2.980 -17.940 317 HB2 LYS 41 HB2 LYS 41 26.722 3.127 -20.962 318 HB3 LYS 41 HB1 LYS 41 25.349 2.781 -19.911 319 HG2 LYS 41 HG2 LYS 41 25.727 4.951 -18.748 320 HG3 LYS 41 HG1 LYS 41 27.045 5.295 -19.869 321 HD2 LYS 41 HD2 LYS 41 25.461 5.148 -21.768 322 HD3 LYS 41 HD1 LYS 41 24.145 4.837 -20.636 323 HE2 LYS 41 HE2 LYS 41 25.884 7.318 -20.563 324 HE3 LYS 41 HE1 LYS 41 24.306 7.242 -21.350 325 HZ1 LYS 41 HZ1 LYS 41 23.281 6.701 -19.276 326 HZ2 LYS 41 HZ2 LYS 41 24.225 8.096 -19.051 327 HZ3 LYS 41 HZ3 LYS 41 24.783 6.591 -18.494 328 H LYS 42 HN LYS 42 25.816 1.002 -17.700 329 HA LYS 42 HA LYS 42 26.654 -1.266 -19.328 330 HB2 LYS 42 HB2 LYS 42 28.363 -1.080 -17.494 331 HB3 LYS 42 HB1 LYS 42 27.059 -1.330 -16.331 332 HG2 LYS 42 HG2 LYS 42 26.531 -3.495 -17.326 333 HG3 LYS 42 HG1 LYS 42 27.746 -3.246 -18.580 334 HD2 LYS 42 HD2 LYS 42 29.508 -3.170 -16.848 335 HD3 LYS 42 HD1 LYS 42 28.289 -3.447 -15.603 336 HE2 LYS 42 HE2 LYS 42 27.697 -5.599 -16.661 337 HE3 LYS 42 HE1 LYS 42 28.920 -5.326 -17.901 338 HZ1 LYS 42 HZ1 LYS 42 30.602 -5.752 -16.474 339 HZ2 LYS 42 HZ2 LYS 42 29.413 -6.693 -15.709 340 HZ3 LYS 42 HZ3 LYS 42 29.781 -5.142 -15.121 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 49.271 -12.775 25.203 2 H2 MET 1 HT2 MET 1 50.867 -13.335 25.053 3 H3 MET 1 HT3 MET 1 49.857 -13.269 23.689 4 HA MET 1 HA MET 1 49.956 -10.715 24.861 5 HB2 MET 1 HB2 MET 1 52.616 -12.053 24.287 6 HB3 MET 1 HB1 MET 1 52.404 -10.309 24.445 7 HG2 MET 1 HG2 MET 1 51.510 -10.646 26.739 8 HG3 MET 1 HG1 MET 1 51.788 -12.381 26.574 9 HE1 MET 1 HE1 MET 1 53.061 -12.594 28.537 10 HE2 MET 1 HE2 MET 1 53.129 -10.908 29.046 11 HE3 MET 1 HE3 MET 1 54.614 -11.851 28.944 12 H ALA 2 HN ALA 2 51.601 -9.502 23.008 13 HA ALA 2 HA ALA 2 51.562 -8.729 20.841 14 HB1 ALA 2 HB1 ALA 2 52.158 -10.281 19.224 15 HB2 ALA 2 HB2 ALA 2 51.092 -11.524 19.880 16 HB3 ALA 2 HB3 ALA 2 52.607 -11.139 20.698 17 H GLU 3 HN GLU 3 49.800 -7.555 20.347 18 HA GLU 3 HA GLU 3 47.448 -9.003 19.336 19 HB2 GLU 3 HB2 GLU 3 46.975 -8.383 21.686 20 HB3 GLU 3 HB1 GLU 3 47.288 -6.693 21.284 21 HG2 GLU 3 HG2 GLU 3 45.457 -6.693 19.672 22 HG3 GLU 3 HG1 GLU 3 45.186 -8.413 19.937 23 H ALA 4 HN ALA 4 46.237 -7.880 17.797 24 HA ALA 4 HA ALA 4 47.165 -5.243 16.942 25 HB1 ALA 4 HB1 ALA 4 46.946 -7.262 14.774 26 HB2 ALA 4 HB2 ALA 4 48.385 -7.335 15.791 27 HB3 ALA 4 HB3 ALA 4 48.006 -5.858 14.907 28 H HIS 5 HN HIS 5 45.696 -4.150 15.601 29 HA HIS 5 HA HIS 5 42.976 -5.317 15.549 30 HB2 HIS 5 HB2 HIS 5 43.996 -2.513 15.918 31 HB3 HIS 5 HB1 HIS 5 42.370 -2.790 15.299 32 HD2 HIS 5 HD2 HIS 5 44.302 -2.986 18.671 33 HE1 HIS 5 HE1 HIS 5 40.376 -4.366 19.384 34 HE2 HIS 5 HE2 HIS 5 42.562 -3.691 20.485 35 H GLN 6 HN GLN 6 41.799 -5.256 13.655 36 HA GLN 6 HA GLN 6 43.289 -5.091 11.209 37 HB2 GLN 6 HB2 GLN 6 41.456 -6.715 11.539 38 HB3 GLN 6 HB1 GLN 6 40.309 -5.379 11.642 39 HG2 GLN 6 HG2 GLN 6 40.811 -4.694 9.372 40 HG3 GLN 6 HG1 GLN 6 42.110 -5.881 9.260 41 HE21 GLN 6 HE21 GLN 6 39.858 -5.851 7.447 42 HE22 GLN 6 HE22 GLN 6 38.971 -7.275 7.706 43 H ALA 7 HN ALA 7 43.291 -3.525 9.673 44 HA ALA 7 HA ALA 7 42.652 -0.861 10.411 45 HB1 ALA 7 HB1 ALA 7 44.312 -0.778 8.864 46 HB2 ALA 7 HB2 ALA 7 42.970 -0.708 7.722 47 HB3 ALA 7 HB3 ALA 7 43.768 -2.246 8.052 48 H VAL 8 HN VAL 8 40.990 0.477 9.824 49 HA VAL 8 HA VAL 8 38.727 -0.755 8.371 50 HB VAL 8 HB VAL 8 38.709 1.011 10.817 51 HG11 VAL 8 HG11 VAL 8 36.139 0.748 10.443 52 HG12 VAL 8 HG12 VAL 8 36.577 0.442 8.762 53 HG13 VAL 8 HG13 VAL 8 36.998 1.979 9.518 54 HG21 VAL 8 HG21 VAL 8 37.127 -1.501 10.376 55 HG22 VAL 8 HG22 VAL 8 37.765 -0.835 11.880 56 HG23 VAL 8 HG23 VAL 8 38.847 -1.633 10.739 57 H ALA 9 HN ALA 9 37.853 0.364 6.759 58 HA ALA 9 HA ALA 9 39.204 2.670 5.730 59 HB1 ALA 9 HB1 ALA 9 36.522 2.081 4.671 60 HB2 ALA 9 HB2 ALA 9 37.649 0.727 4.616 61 HB3 ALA 9 HB3 ALA 9 38.060 2.248 3.825 62 H PHE 10 HN PHE 10 36.177 2.106 7.451 63 HA PHE 10 HA PHE 10 36.034 4.976 7.960 64 HB2 PHE 10 HB2 PHE 10 33.400 4.540 7.635 65 HB3 PHE 10 HB1 PHE 10 34.448 5.180 6.379 66 HD1 PHE 10 HD1 PHE 10 34.553 1.598 7.489 67 HD2 PHE 10 HD2 PHE 10 33.151 4.386 4.528 68 HE1 PHE 10 HE1 PHE 10 33.998 -0.275 5.988 69 HE2 PHE 10 HE2 PHE 10 32.575 2.494 3.035 70 HZ PHE 10 HZ PHE 10 33.001 0.165 3.765 71 H GLN 11 HN GLN 11 35.441 5.533 9.947 72 HA GLN 11 HA GLN 11 34.248 3.461 11.700 73 HB2 GLN 11 HB2 GLN 11 36.743 4.992 11.979 74 HB3 GLN 11 HB1 GLN 11 35.701 5.061 13.400 75 HG2 GLN 11 HG2 GLN 11 36.410 2.466 12.017 76 HG3 GLN 11 HG1 GLN 11 37.349 3.127 13.356 77 HE21 GLN 11 HE21 GLN 11 35.102 0.836 12.857 78 HE22 GLN 11 HE22 GLN 11 34.206 0.960 14.294 79 H PHE 12 HN PHE 12 32.451 4.079 12.772 80 HA PHE 12 HA PHE 12 31.869 6.974 12.922 81 HB2 PHE 12 HB2 PHE 12 30.393 6.142 11.302 82 HB3 PHE 12 HB1 PHE 12 30.169 4.621 12.148 83 HD1 PHE 12 HD1 PHE 12 30.009 7.948 13.841 84 HD2 PHE 12 HD2 PHE 12 27.787 4.667 12.186 85 HE1 PHE 12 HE1 PHE 12 27.955 8.781 14.937 86 HE2 PHE 12 HE2 PHE 12 25.730 5.515 13.272 87 HZ PHE 12 HZ PHE 12 25.812 7.574 14.645 88 H THR 13 HN THR 13 31.673 7.643 14.997 89 HA THR 13 HA THR 13 30.666 5.708 17.009 90 HB THR 13 HB THR 13 32.693 7.696 17.850 91 HG1 THR 13 HG1 THR 13 33.129 6.062 15.854 92 HG21 THR 13 HG21 THR 13 33.228 5.987 19.455 93 HG22 THR 13 HG22 THR 13 32.285 4.788 18.569 94 HG23 THR 13 HG23 THR 13 31.471 6.119 19.391 95 H VAL 14 HN VAL 14 29.189 6.375 18.352 96 HA VAL 14 HA VAL 14 28.309 9.171 18.208 97 HB VAL 14 HB VAL 14 26.648 7.389 17.762 98 HG11 VAL 14 HG11 VAL 14 26.653 6.610 20.642 99 HG12 VAL 14 HG12 VAL 14 27.928 5.936 19.627 100 HG13 VAL 14 HG13 VAL 14 26.236 5.655 19.220 101 HG21 VAL 14 HG21 VAL 14 24.937 8.238 19.281 102 HG22 VAL 14 HG22 VAL 14 25.995 9.565 18.805 103 HG23 VAL 14 HG23 VAL 14 26.172 8.823 20.395 104 H THR 15 HN THR 15 28.786 10.551 19.864 105 HA THR 15 HA THR 15 29.361 9.339 22.500 106 HB THR 15 HB THR 15 30.796 11.594 22.663 107 HG1 THR 15 HG1 THR 15 30.231 11.212 20.032 108 HG21 THR 15 HG21 THR 15 31.476 8.872 21.582 109 HG22 THR 15 HG22 THR 15 31.871 9.570 23.152 110 HG23 THR 15 HG23 THR 15 32.727 10.110 21.709 111 HA PRO 16 HA PRO 16 26.227 11.853 24.307 112 HB2 PRO 16 HB2 PRO 16 28.273 13.128 26.058 113 HB3 PRO 16 HB1 PRO 16 26.770 12.300 26.500 114 HG2 PRO 16 HG2 PRO 16 29.207 11.198 26.818 115 HG3 PRO 16 HG1 PRO 16 27.743 10.252 26.511 116 HD2 PRO 16 HD2 PRO 16 30.029 10.780 24.713 117 HD3 PRO 16 HD1 PRO 16 28.812 9.486 24.661 118 H ASP 17 HN ASP 17 29.322 13.458 23.549 119 HA ASP 17 HA ASP 17 28.154 16.070 23.404 120 HB2 ASP 17 HB2 ASP 17 30.827 14.923 22.627 121 HB3 ASP 17 HB1 ASP 17 30.408 16.612 22.350 122 H GLY 18 HN GLY 18 28.363 13.402 21.118 123 HA2 GLY 18 HA2 GLY 18 26.714 14.476 19.250 124 HA3 GLY 18 HA1 GLY 18 28.277 15.146 18.797 125 H ILE 19 HN ILE 19 28.715 14.042 16.928 126 HA ILE 19 HA ILE 19 29.016 11.131 17.147 127 HB ILE 19 HB ILE 19 28.268 11.071 14.722 128 HG12 ILE 19 HG12 ILE 19 27.021 13.742 15.396 129 HG13 ILE 19 HG11 ILE 19 28.520 13.599 14.477 130 HG21 ILE 19 HG21 ILE 19 25.795 11.340 15.403 131 HG22 ILE 19 HG22 ILE 19 26.412 11.801 16.989 132 HG23 ILE 19 HG23 ILE 19 26.759 10.200 16.343 133 HD11 ILE 19 HD11 ILE 19 26.018 12.110 13.676 134 HD12 ILE 19 HD12 ILE 19 27.451 12.439 12.703 135 HD13 ILE 19 HD13 ILE 19 26.346 13.751 13.113 136 H ASP 20 HN ASP 20 30.657 10.301 15.863 137 HA ASP 20 HA ASP 20 32.516 12.259 14.650 138 HB2 ASP 20 HB2 ASP 20 33.230 11.488 16.968 139 HB3 ASP 20 HB1 ASP 20 33.447 9.887 16.265 140 H LEU 21 HN LEU 21 33.486 11.633 12.757 141 HA LEU 21 HA LEU 21 33.071 8.856 11.885 142 HB2 LEU 21 HB2 LEU 21 32.435 11.351 10.286 143 HB3 LEU 21 HB1 LEU 21 32.441 9.716 9.633 144 HG LEU 21 HG LEU 21 30.827 9.364 11.798 145 HD11 LEU 21 HD11 LEU 21 31.057 11.974 12.045 146 HD12 LEU 21 HD12 LEU 21 29.480 11.213 12.244 147 HD13 LEU 21 HD13 LEU 21 29.888 12.007 10.723 148 HD21 LEU 21 HD21 LEU 21 30.014 10.333 9.040 149 HD22 LEU 21 HD22 LEU 21 28.956 9.496 10.176 150 HD23 LEU 21 HD23 LEU 21 30.351 8.662 9.493 151 H ARG 22 HN ARG 22 34.973 8.056 11.448 152 HA ARG 22 HA ARG 22 37.105 9.829 10.398 153 HB2 ARG 22 HB2 ARG 22 37.312 7.282 12.019 154 HB3 ARG 22 HB1 ARG 22 38.691 8.106 11.288 155 HG2 ARG 22 HG2 ARG 22 38.214 10.126 12.574 156 HG3 ARG 22 HG1 ARG 22 36.766 9.381 13.249 157 HD2 ARG 22 HD2 ARG 22 38.598 9.224 14.859 158 HD3 ARG 22 HD1 ARG 22 38.164 7.618 14.282 159 HE ARG 22 HE ARG 22 40.248 8.659 12.666 160 HH11 ARG 22 HH21 ARG 22 39.561 7.497 15.851 161 HH12 ARG 22 HH22 ARG 22 41.166 6.918 16.140 162 HH21 ARG 22 HH11 ARG 22 42.372 7.893 13.045 163 HH22 ARG 22 HH12 ARG 22 42.757 7.155 14.564 164 H LEU 23 HN LEU 23 38.154 9.334 8.512 165 HA LEU 23 HA LEU 23 37.584 6.719 7.311 166 HB2 LEU 23 HB2 LEU 23 37.242 9.366 5.873 167 HB3 LEU 23 HB1 LEU 23 37.115 7.766 5.142 168 HG LEU 23 HG LEU 23 35.358 7.449 7.162 169 HD11 LEU 23 HD11 LEU 23 34.847 10.305 6.358 170 HD12 LEU 23 HD12 LEU 23 35.875 9.943 7.745 171 HD13 LEU 23 HD13 LEU 23 34.195 9.408 7.728 172 HD21 LEU 23 HD21 LEU 23 33.584 8.143 5.493 173 HD22 LEU 23 HD22 LEU 23 34.788 7.023 4.858 174 HD23 LEU 23 HD23 LEU 23 34.885 8.738 4.463 175 H SER 24 HN SER 24 39.309 5.853 6.380 176 HA SER 24 HA SER 24 41.871 7.130 6.571 177 HB2 SER 24 HB2 SER 24 40.897 4.479 5.545 178 HB3 SER 24 HB1 SER 24 42.563 4.986 5.280 179 HG SER 24 HG SER 24 42.304 5.516 7.712 180 H HIS 25 HN HIS 25 43.271 7.680 4.892 181 HA HIS 25 HA HIS 25 42.168 9.075 2.721 182 HB2 HIS 25 HB2 HIS 25 44.897 8.187 3.521 183 HB3 HIS 25 HB1 HIS 25 44.669 8.646 1.833 184 HD2 HIS 25 HD2 HIS 25 45.027 10.327 5.291 185 HE1 HIS 25 HE1 HIS 25 43.919 13.369 2.581 186 HE2 HIS 25 HE2 HIS 25 44.747 12.898 4.934 187 H GLU 26 HN GLU 26 43.099 5.780 3.150 188 HA GLU 26 HA GLU 26 43.201 4.987 0.418 189 HB2 GLU 26 HB2 GLU 26 42.591 3.376 2.914 190 HB3 GLU 26 HB1 GLU 26 42.927 2.688 1.326 191 HG2 GLU 26 HG2 GLU 26 44.825 4.501 2.844 192 HG3 GLU 26 HG1 GLU 26 44.945 2.744 2.803 193 H ALA 27 HN ALA 27 40.638 5.195 2.825 194 HA ALA 27 HA ALA 27 38.598 3.878 1.409 195 HB1 ALA 27 HB1 ALA 27 37.320 4.450 3.185 196 HB2 ALA 27 HB2 ALA 27 37.716 6.161 3.030 197 HB3 ALA 27 HB3 ALA 27 38.817 5.076 3.878 198 H LEU 28 HN LEU 28 39.831 7.128 1.302 199 HA LEU 28 HA LEU 28 37.778 8.284 -0.317 200 HB2 LEU 28 HB2 LEU 28 40.647 9.100 0.170 201 HB3 LEU 28 HB1 LEU 28 39.505 10.064 -0.759 202 HG LEU 28 HG LEU 28 39.049 9.168 2.101 203 HD11 LEU 28 HD11 LEU 28 40.475 10.808 2.680 204 HD12 LEU 28 HD12 LEU 28 39.332 11.957 1.986 205 HD13 LEU 28 HD13 LEU 28 40.648 11.322 0.999 206 HD21 LEU 28 HD21 LEU 28 37.443 11.298 1.757 207 HD22 LEU 28 HD22 LEU 28 36.913 9.662 1.374 208 HD23 LEU 28 HD23 LEU 28 37.479 10.728 0.090 209 H ARG 29 HN ARG 29 40.867 6.745 -1.025 210 HA ARG 29 HA ARG 29 40.969 7.343 -3.774 211 HB2 ARG 29 HB2 ARG 29 42.150 5.039 -2.201 212 HB3 ARG 29 HB1 ARG 29 42.529 5.375 -3.888 213 HG2 ARG 29 HG2 ARG 29 43.352 7.619 -3.263 214 HG3 ARG 29 HG1 ARG 29 42.975 7.280 -1.572 215 HD2 ARG 29 HD2 ARG 29 44.529 5.378 -1.592 216 HD3 ARG 29 HD1 ARG 29 44.903 5.685 -3.283 217 HE ARG 29 HE ARG 29 45.790 7.267 -0.986 218 HH11 ARG 29 HH21 ARG 29 45.433 6.939 -4.415 219 HH12 ARG 29 HH22 ARG 29 46.701 8.054 -4.790 220 HH21 ARG 29 HH11 ARG 29 47.448 8.735 -1.470 221 HH22 ARG 29 HH12 ARG 29 47.861 9.053 -3.122 222 H GLN 30 HN GLN 30 39.420 4.666 -2.028 223 HA GLN 30 HA GLN 30 38.789 3.186 -4.392 224 HB2 GLN 30 HB2 GLN 30 37.599 3.133 -1.611 225 HB3 GLN 30 HB1 GLN 30 37.165 2.000 -2.891 226 HG2 GLN 30 HG2 GLN 30 39.513 1.272 -3.058 227 HG3 GLN 30 HG1 GLN 30 39.962 2.417 -1.794 228 HE21 GLN 30 HE21 GLN 30 40.662 0.063 -0.915 229 HE22 GLN 30 HE22 GLN 30 39.510 -0.682 0.084 230 H ILE 31 HN ILE 31 37.060 5.505 -2.376 231 HA ILE 31 HA ILE 31 34.584 5.330 -3.671 232 HB ILE 31 HB ILE 31 35.865 7.590 -2.123 233 HG12 ILE 31 HG12 ILE 31 33.673 5.675 -1.296 234 HG13 ILE 31 HG11 ILE 31 35.378 5.317 -1.026 235 HG21 ILE 31 HG21 ILE 31 33.226 8.004 -1.842 236 HG22 ILE 31 HG22 ILE 31 33.217 7.320 -3.466 237 HG23 ILE 31 HG23 ILE 31 34.159 8.771 -3.127 238 HD11 ILE 31 HD11 ILE 31 35.546 6.822 0.668 239 HD12 ILE 31 HD12 ILE 31 33.784 6.734 0.713 240 HD13 ILE 31 HD13 ILE 31 34.580 8.024 -0.189 241 H TYR 32 HN TYR 32 37.322 7.611 -4.364 242 HA TYR 32 HA TYR 32 35.889 8.995 -6.400 243 HB2 TYR 32 HB2 TYR 32 37.885 9.981 -5.413 244 HB3 TYR 32 HB1 TYR 32 38.871 8.649 -6.016 245 HD1 TYR 32 HD1 TYR 32 36.689 11.482 -7.088 246 HD2 TYR 32 HD2 TYR 32 39.688 8.627 -8.237 247 HE1 TYR 32 HE1 TYR 32 36.979 12.653 -9.258 248 HE2 TYR 32 HE2 TYR 32 39.975 9.798 -10.400 249 HH TYR 32 HH TYR 32 39.517 12.390 -11.155 250 H LEU 33 HN LEU 33 38.235 6.322 -6.527 251 HA LEU 33 HA LEU 33 38.194 5.999 -9.327 252 HB2 LEU 33 HB2 LEU 33 38.854 4.072 -7.093 253 HB3 LEU 33 HB1 LEU 33 39.067 3.678 -8.797 254 HG LEU 33 HG LEU 33 40.297 6.105 -7.457 255 HD11 LEU 33 HD11 LEU 33 41.609 3.462 -8.152 256 HD12 LEU 33 HD12 LEU 33 41.184 3.978 -6.520 257 HD13 LEU 33 HD13 LEU 33 42.398 4.869 -7.436 258 HD21 LEU 33 HD21 LEU 33 40.336 4.948 -10.211 259 HD22 LEU 33 HD22 LEU 33 41.843 5.623 -9.596 260 HD23 LEU 33 HD23 LEU 33 40.401 6.631 -9.697 261 H SER 34 HN SER 34 36.202 4.472 -6.779 262 HA SER 34 HA SER 34 34.852 2.661 -8.465 263 HB2 SER 34 HB2 SER 34 34.726 2.530 -6.016 264 HB3 SER 34 HB1 SER 34 33.832 4.047 -5.974 265 HG SER 34 HG SER 34 32.340 2.408 -5.968 266 H GLY 35 HN GLY 35 34.316 6.047 -7.708 267 HA2 GLY 35 HA2 GLY 35 31.801 6.281 -9.059 268 HA3 GLY 35 HA1 GLY 35 32.830 7.609 -8.531 269 H LEU 36 HN LEU 36 35.156 6.778 -9.887 270 HA LEU 36 HA LEU 36 34.887 8.077 -12.343 271 HB2 LEU 36 HB2 LEU 36 37.003 7.892 -11.080 272 HB3 LEU 36 HB1 LEU 36 37.051 6.166 -11.426 273 HG LEU 36 HG LEU 36 37.134 6.663 -13.853 274 HD11 LEU 36 HD11 LEU 36 36.133 8.696 -14.277 275 HD12 LEU 36 HD12 LEU 36 37.815 9.222 -14.219 276 HD13 LEU 36 HD13 LEU 36 36.776 9.438 -12.812 277 HD21 LEU 36 HD21 LEU 36 39.251 6.370 -12.711 278 HD22 LEU 36 HD22 LEU 36 39.214 8.033 -12.124 279 HD23 LEU 36 HD23 LEU 36 39.425 7.709 -13.845 280 H HIS 37 HN HIS 37 34.840 4.651 -11.505 281 HA HIS 37 HA HIS 37 34.788 3.731 -14.238 282 HB2 HIS 37 HB2 HIS 37 34.645 2.506 -11.538 283 HB3 HIS 37 HB1 HIS 37 33.878 1.610 -12.850 284 HD2 HIS 37 HD2 HIS 37 35.665 0.361 -14.601 285 HE1 HIS 37 HE1 HIS 37 39.205 2.033 -13.022 286 HE2 HIS 37 HE2 HIS 37 38.276 0.353 -14.685 287 H SER 38 HN SER 38 32.501 4.989 -12.048 288 HA SER 38 HA SER 38 30.157 3.640 -12.968 289 HB2 SER 38 HB2 SER 38 30.250 6.418 -11.795 290 HB3 SER 38 HB1 SER 38 28.932 5.256 -11.724 291 HG SER 38 HG SER 38 30.995 4.030 -10.716 292 H TRP 39 HN TRP 39 32.244 5.774 -14.533 293 HA TRP 39 HA TRP 39 30.320 7.325 -15.967 294 HB2 TRP 39 HB2 TRP 39 32.893 7.715 -15.583 295 HB3 TRP 39 HB1 TRP 39 33.049 6.755 -17.054 296 HD1 TRP 39 HD1 TRP 39 31.425 9.996 -15.763 297 HE1 TRP 39 HE1 TRP 39 31.015 11.562 -17.772 298 HE3 TRP 39 HE3 TRP 39 32.765 6.892 -19.601 299 HZ2 TRP 39 HZ2 TRP 39 31.231 11.507 -20.624 300 HZ3 TRP 39 HZ3 TRP 39 32.652 7.685 -21.951 301 HH2 TRP 39 HH2 TRP 39 31.886 9.979 -22.465 302 H LYS 40 HN LYS 40 31.916 4.232 -16.496 303 HA LYS 40 HA LYS 40 31.588 2.563 -18.039 304 HB2 LYS 40 HB2 LYS 40 29.233 2.814 -17.207 305 HB3 LYS 40 HB1 LYS 40 28.929 3.913 -18.552 306 HG2 LYS 40 HG2 LYS 40 29.512 2.136 -20.157 307 HG3 LYS 40 HG1 LYS 40 29.864 1.036 -18.824 308 HD2 LYS 40 HD2 LYS 40 27.529 1.208 -18.050 309 HD3 LYS 40 HD1 LYS 40 27.171 2.323 -19.367 310 HE2 LYS 40 HE2 LYS 40 27.746 0.567 -21.010 311 HE3 LYS 40 HE1 LYS 40 28.088 -0.553 -19.690 312 HZ1 LYS 40 HZ1 LYS 40 25.649 0.288 -19.024 313 HZ2 LYS 40 HZ2 LYS 40 25.936 -1.090 -19.977 314 HZ3 LYS 40 HZ3 LYS 40 25.540 0.387 -20.714 315 H LYS 41 HN LYS 41 33.319 3.803 -19.223 316 HA LYS 41 HA LYS 41 32.616 5.433 -21.459 317 HB2 LYS 41 HB2 LYS 41 34.848 5.442 -20.301 318 HB3 LYS 41 HB1 LYS 41 35.172 3.873 -21.039 319 HG2 LYS 41 HG2 LYS 41 34.896 4.851 -23.278 320 HG3 LYS 41 HG1 LYS 41 34.532 6.420 -22.557 321 HD2 LYS 41 HD2 LYS 41 36.765 6.433 -21.486 322 HD3 LYS 41 HD1 LYS 41 37.128 4.886 -22.256 323 HE2 LYS 41 HE2 LYS 41 36.850 5.893 -24.470 324 HE3 LYS 41 HE1 LYS 41 36.425 7.438 -23.730 325 HZ1 LYS 41 HZ1 LYS 41 38.605 7.833 -23.899 326 HZ2 LYS 41 HZ2 LYS 41 39.011 6.190 -24.045 327 HZ3 LYS 41 HZ3 LYS 41 38.735 6.867 -22.511 328 H LYS 42 HN LYS 42 32.194 4.887 -23.536 329 HA LYS 42 HA LYS 42 31.239 2.383 -24.242 330 HB2 LYS 42 HB2 LYS 42 32.420 4.566 -25.974 331 HB3 LYS 42 HB1 LYS 42 31.608 3.141 -26.620 332 HG2 LYS 42 HG2 LYS 42 29.556 3.725 -25.410 333 HG3 LYS 42 HG1 LYS 42 30.357 5.124 -24.694 334 HD2 LYS 42 HD2 LYS 42 30.649 6.141 -26.886 335 HD3 LYS 42 HD1 LYS 42 29.998 4.704 -27.677 336 HE2 LYS 42 HE2 LYS 42 28.258 6.426 -27.518 337 HE3 LYS 42 HE1 LYS 42 27.842 5.055 -26.490 338 HZ1 LYS 42 HZ1 LYS 42 28.159 7.719 -25.742 339 HZ2 LYS 42 HZ2 LYS 42 29.432 6.849 -25.028 340 HZ3 LYS 42 HZ3 LYS 42 27.822 6.389 -24.745 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 43.183 -16.660 12.085 2 H2 MET 1 HT2 MET 1 44.715 -17.195 11.574 3 H3 MET 1 HT3 MET 1 44.087 -17.705 13.068 4 HA MET 1 HA MET 1 43.866 -19.489 11.508 5 HB2 MET 1 HB2 MET 1 41.294 -18.025 12.136 6 HB3 MET 1 HB1 MET 1 41.361 -19.683 11.543 7 HG2 MET 1 HG2 MET 1 42.763 -18.740 14.065 8 HG3 MET 1 HG1 MET 1 41.183 -19.520 14.058 9 HE1 MET 1 HE1 MET 1 41.707 -22.191 11.760 10 HE2 MET 1 HE2 MET 1 40.625 -21.417 12.911 11 HE3 MET 1 HE3 MET 1 41.432 -22.919 13.346 12 H ALA 2 HN ALA 2 41.751 -16.804 10.419 13 HA ALA 2 HA ALA 2 41.560 -17.814 7.756 14 HB1 ALA 2 HB1 ALA 2 40.895 -15.080 8.875 15 HB2 ALA 2 HB2 ALA 2 39.780 -16.434 8.684 16 HB3 ALA 2 HB3 ALA 2 40.461 -15.647 7.258 17 H GLU 3 HN GLU 3 42.625 -17.309 5.945 18 HA GLU 3 HA GLU 3 45.260 -16.268 6.143 19 HB2 GLU 3 HB2 GLU 3 43.510 -16.932 3.764 20 HB3 GLU 3 HB1 GLU 3 45.203 -16.457 3.631 21 HG2 GLU 3 HG2 GLU 3 45.318 -18.785 3.656 22 HG3 GLU 3 HG1 GLU 3 45.637 -18.372 5.334 23 H ALA 4 HN ALA 4 42.187 -14.955 5.076 24 HA ALA 4 HA ALA 4 43.213 -12.529 3.979 25 HB1 ALA 4 HB1 ALA 4 41.072 -12.713 3.245 26 HB2 ALA 4 HB2 ALA 4 40.675 -11.892 4.755 27 HB3 ALA 4 HB3 ALA 4 40.570 -13.651 4.651 28 H HIS 5 HN HIS 5 43.228 -10.445 4.893 29 HA HIS 5 HA HIS 5 43.343 -10.440 7.852 30 HB2 HIS 5 HB2 HIS 5 44.721 -8.568 5.909 31 HB3 HIS 5 HB1 HIS 5 44.796 -8.470 7.666 32 HD2 HIS 5 HD2 HIS 5 46.540 -10.385 4.806 33 HE1 HIS 5 HE1 HIS 5 47.795 -12.152 8.430 34 HE2 HIS 5 HE2 HIS 5 48.238 -12.020 5.930 35 H GLN 6 HN GLN 6 41.983 -9.217 8.977 36 HA GLN 6 HA GLN 6 39.908 -7.789 7.605 37 HB2 GLN 6 HB2 GLN 6 40.576 -8.041 10.541 38 HB3 GLN 6 HB1 GLN 6 39.177 -7.163 9.923 39 HG2 GLN 6 HG2 GLN 6 38.336 -9.176 8.834 40 HG3 GLN 6 HG1 GLN 6 39.772 -10.073 9.312 41 HE21 GLN 6 HE21 GLN 6 37.703 -11.373 10.224 42 HE22 GLN 6 HE22 GLN 6 37.327 -11.031 11.842 43 H ALA 7 HN ALA 7 39.599 -5.647 7.361 44 HA ALA 7 HA ALA 7 41.585 -3.793 8.487 45 HB1 ALA 7 HB1 ALA 7 40.755 -3.594 5.596 46 HB2 ALA 7 HB2 ALA 7 42.142 -4.570 6.080 47 HB3 ALA 7 HB3 ALA 7 42.133 -2.840 6.405 48 H VAL 8 HN VAL 8 40.863 -1.674 8.719 49 HA VAL 8 HA VAL 8 37.964 -1.241 8.291 50 HB VAL 8 HB VAL 8 39.711 -0.454 10.631 51 HG11 VAL 8 HG11 VAL 8 38.472 1.453 10.599 52 HG12 VAL 8 HG12 VAL 8 37.221 0.421 11.289 53 HG13 VAL 8 HG13 VAL 8 37.228 0.754 9.559 54 HG21 VAL 8 HG21 VAL 8 38.082 -2.684 10.145 55 HG22 VAL 8 HG22 VAL 8 37.110 -1.642 11.182 56 HG23 VAL 8 HG23 VAL 8 38.708 -2.163 11.712 57 H ALA 9 HN ALA 9 37.474 0.575 7.143 58 HA ALA 9 HA ALA 9 39.629 2.574 6.768 59 HB1 ALA 9 HB1 ALA 9 39.094 1.175 4.757 60 HB2 ALA 9 HB2 ALA 9 38.880 2.909 4.517 61 HB3 ALA 9 HB3 ALA 9 37.477 1.873 4.774 62 H PHE 10 HN PHE 10 36.359 2.009 7.691 63 HA PHE 10 HA PHE 10 36.000 4.901 8.039 64 HB2 PHE 10 HB2 PHE 10 33.453 4.212 7.592 65 HB3 PHE 10 HB1 PHE 10 34.523 4.749 6.318 66 HD1 PHE 10 HD1 PHE 10 34.799 1.356 7.884 67 HD2 PHE 10 HD2 PHE 10 33.425 3.658 4.536 68 HE1 PHE 10 HE1 PHE 10 34.479 -0.723 6.603 69 HE2 PHE 10 HE2 PHE 10 33.080 1.568 3.258 70 HZ PHE 10 HZ PHE 10 33.609 -0.622 4.286 71 H GLN 11 HN GLN 11 35.358 5.496 10.060 72 HA GLN 11 HA GLN 11 34.041 3.429 11.746 73 HB2 GLN 11 HB2 GLN 11 36.344 5.206 12.555 74 HB3 GLN 11 HB1 GLN 11 35.369 4.279 13.692 75 HG2 GLN 11 HG2 GLN 11 36.000 2.195 12.503 76 HG3 GLN 11 HG1 GLN 11 37.005 3.138 11.404 77 HE21 GLN 11 HE21 GLN 11 38.690 1.546 12.479 78 HE22 GLN 11 HE22 GLN 11 39.451 2.113 13.888 79 H PHE 12 HN PHE 12 32.356 4.099 12.935 80 HA PHE 12 HA PHE 12 31.868 7.011 13.094 81 HB2 PHE 12 HB2 PHE 12 30.300 6.293 11.510 82 HB3 PHE 12 HB1 PHE 12 30.064 4.741 12.297 83 HD1 PHE 12 HD1 PHE 12 30.038 7.994 14.130 84 HD2 PHE 12 HD2 PHE 12 27.689 4.837 12.397 85 HE1 PHE 12 HE1 PHE 12 28.040 8.810 15.338 86 HE2 PHE 12 HE2 PHE 12 25.693 5.669 13.589 87 HZ PHE 12 HZ PHE 12 25.864 7.657 15.056 88 H THR 13 HN THR 13 31.766 7.659 15.179 89 HA THR 13 HA THR 13 30.876 5.710 17.237 90 HB THR 13 HB THR 13 32.523 7.309 18.633 91 HG1 THR 13 HG1 THR 13 33.320 7.314 15.937 92 HG21 THR 13 HG21 THR 13 34.252 5.545 18.318 93 HG22 THR 13 HG22 THR 13 33.325 4.912 16.959 94 HG23 THR 13 HG23 THR 13 32.644 4.861 18.584 95 H VAL 14 HN VAL 14 29.251 6.350 18.510 96 HA VAL 14 HA VAL 14 28.425 9.162 18.383 97 HB VAL 14 HB VAL 14 26.743 7.454 17.867 98 HG11 VAL 14 HG11 VAL 14 26.282 5.669 19.206 99 HG12 VAL 14 HG12 VAL 14 26.557 6.577 20.691 100 HG13 VAL 14 HG13 VAL 14 27.924 5.942 19.780 101 HG21 VAL 14 HG21 VAL 14 26.199 8.830 20.521 102 HG22 VAL 14 HG22 VAL 14 24.997 8.321 19.336 103 HG23 VAL 14 HG23 VAL 14 26.117 9.628 18.951 104 H THR 15 HN THR 15 28.762 10.544 20.029 105 HA THR 15 HA THR 15 29.315 9.391 22.699 106 HB THR 15 HB THR 15 31.358 10.341 22.532 107 HG1 THR 15 HG1 THR 15 31.378 12.463 23.071 108 HG21 THR 15 HG21 THR 15 31.290 10.384 20.129 109 HG22 THR 15 HG22 THR 15 31.872 11.966 20.652 110 HG23 THR 15 HG23 THR 15 30.199 11.772 20.131 111 HA PRO 16 HA PRO 16 26.070 11.908 24.386 112 HB2 PRO 16 HB2 PRO 16 28.054 13.245 26.168 113 HB3 PRO 16 HB1 PRO 16 26.551 12.405 26.592 114 HG2 PRO 16 HG2 PRO 16 28.982 11.331 27.007 115 HG3 PRO 16 HG1 PRO 16 27.546 10.362 26.641 116 HD2 PRO 16 HD2 PRO 16 29.884 10.957 24.912 117 HD3 PRO 16 HD1 PRO 16 28.739 9.602 24.851 118 H ASP 17 HN ASP 17 29.185 13.525 23.696 119 HA ASP 17 HA ASP 17 28.037 16.133 23.455 120 HB2 ASP 17 HB2 ASP 17 30.718 14.943 22.793 121 HB3 ASP 17 HB1 ASP 17 30.330 16.617 22.393 122 H GLY 18 HN GLY 18 28.301 13.446 21.184 123 HA2 GLY 18 HA2 GLY 18 26.694 14.547 19.272 124 HA3 GLY 18 HA1 GLY 18 28.288 15.180 18.864 125 H ILE 19 HN ILE 19 28.744 14.057 17.024 126 HA ILE 19 HA ILE 19 29.018 11.141 17.295 127 HB ILE 19 HB ILE 19 28.350 11.056 14.848 128 HG12 ILE 19 HG12 ILE 19 27.224 13.797 15.470 129 HG13 ILE 19 HG11 ILE 19 28.690 13.532 14.521 130 HG21 ILE 19 HG21 ILE 19 26.183 12.080 16.697 131 HG22 ILE 19 HG22 ILE 19 26.845 10.450 16.803 132 HG23 ILE 19 HG23 ILE 19 25.988 10.961 15.349 133 HD11 ILE 19 HD11 ILE 19 26.888 13.760 12.950 134 HD12 ILE 19 HD12 ILE 19 25.880 12.629 13.856 135 HD13 ILE 19 HD13 ILE 19 27.308 12.048 12.996 136 H ASP 20 HN ASP 20 30.735 10.300 16.109 137 HA ASP 20 HA ASP 20 32.607 12.263 14.905 138 HB2 ASP 20 HB2 ASP 20 33.324 11.473 17.194 139 HB3 ASP 20 HB1 ASP 20 33.479 9.863 16.502 140 H LEU 21 HN LEU 21 33.614 11.636 13.016 141 HA LEU 21 HA LEU 21 33.156 8.878 12.117 142 HB2 LEU 21 HB2 LEU 21 32.611 11.343 10.438 143 HB3 LEU 21 HB1 LEU 21 32.458 9.671 9.909 144 HG LEU 21 HG LEU 21 30.867 9.617 12.108 145 HD11 LEU 21 HD11 LEU 21 31.337 12.125 12.329 146 HD12 LEU 21 HD12 LEU 21 29.637 11.648 12.323 147 HD13 LEU 21 HD13 LEU 21 30.369 12.328 10.870 148 HD21 LEU 21 HD21 LEU 21 30.202 10.440 9.264 149 HD22 LEU 21 HD22 LEU 21 28.979 9.979 10.450 150 HD23 LEU 21 HD23 LEU 21 30.194 8.807 9.932 151 H ARG 22 HN ARG 22 35.008 8.056 11.554 152 HA ARG 22 HA ARG 22 37.159 9.848 10.574 153 HB2 ARG 22 HB2 ARG 22 37.311 7.258 12.109 154 HB3 ARG 22 HB1 ARG 22 38.699 7.959 11.290 155 HG2 ARG 22 HG2 ARG 22 38.461 10.019 12.611 156 HG3 ARG 22 HG1 ARG 22 37.037 9.353 13.419 157 HD2 ARG 22 HD2 ARG 22 38.419 7.504 14.299 158 HD3 ARG 22 HD1 ARG 22 39.833 8.192 13.502 159 HE ARG 22 HE ARG 22 39.909 9.859 15.134 160 HH11 ARG 22 HH21 ARG 22 37.000 7.992 15.345 161 HH12 ARG 22 HH22 ARG 22 36.529 8.652 16.875 162 HH21 ARG 22 HH11 ARG 22 39.281 10.737 17.123 163 HH22 ARG 22 HH12 ARG 22 37.809 10.214 17.874 164 H LEU 23 HN LEU 23 38.155 9.425 8.647 165 HA LEU 23 HA LEU 23 37.395 6.941 7.263 166 HB2 LEU 23 HB2 LEU 23 37.307 9.743 6.095 167 HB3 LEU 23 HB1 LEU 23 37.102 8.260 5.176 168 HG LEU 23 HG LEU 23 35.318 9.138 7.472 169 HD11 LEU 23 HD11 LEU 23 33.663 9.457 5.545 170 HD12 LEU 23 HD12 LEU 23 35.059 9.395 4.472 171 HD13 LEU 23 HD13 LEU 23 34.939 10.662 5.693 172 HD21 LEU 23 HD21 LEU 23 35.549 6.695 5.832 173 HD22 LEU 23 HD22 LEU 23 33.911 7.343 5.944 174 HD23 LEU 23 HD23 LEU 23 34.796 6.921 7.409 175 H SER 24 HN SER 24 39.090 6.035 6.300 176 HA SER 24 HA SER 24 41.722 7.195 6.538 177 HB2 SER 24 HB2 SER 24 42.530 5.083 6.049 178 HB3 SER 24 HB1 SER 24 40.956 4.682 6.721 179 HG SER 24 HG SER 24 40.158 4.531 4.598 180 H HIS 25 HN HIS 25 43.085 7.789 4.909 181 HA HIS 25 HA HIS 25 42.051 9.140 2.686 182 HB2 HIS 25 HB2 HIS 25 44.817 8.098 3.306 183 HB3 HIS 25 HB1 HIS 25 44.469 9.080 1.888 184 HD2 HIS 25 HD2 HIS 25 43.900 11.827 2.465 185 HE1 HIS 25 HE1 HIS 25 44.765 11.559 6.589 186 HE2 HIS 25 HE2 HIS 25 44.287 13.160 4.678 187 H GLU 26 HN GLU 26 42.999 5.862 3.189 188 HA GLU 26 HA GLU 26 43.203 5.046 0.471 189 HB2 GLU 26 HB2 GLU 26 42.624 3.490 3.000 190 HB3 GLU 26 HB1 GLU 26 42.856 2.738 1.421 191 HG2 GLU 26 HG2 GLU 26 45.102 3.745 1.264 192 HG3 GLU 26 HG1 GLU 26 44.874 4.500 2.845 193 H ALA 27 HN ALA 27 40.523 5.288 2.762 194 HA ALA 27 HA ALA 27 38.597 3.876 1.251 195 HB1 ALA 27 HB1 ALA 27 37.360 4.299 3.075 196 HB2 ALA 27 HB2 ALA 27 37.313 6.010 2.648 197 HB3 ALA 27 HB3 ALA 27 38.609 5.393 3.670 198 H LEU 28 HN LEU 28 39.784 7.150 1.157 199 HA LEU 28 HA LEU 28 37.791 8.230 -0.583 200 HB2 LEU 28 HB2 LEU 28 40.628 9.098 0.008 201 HB3 LEU 28 HB1 LEU 28 39.520 10.025 -1.002 202 HG LEU 28 HG LEU 28 38.852 9.171 1.833 203 HD11 LEU 28 HD11 LEU 28 39.255 11.950 1.733 204 HD12 LEU 28 HD12 LEU 28 40.642 11.247 0.902 205 HD13 LEU 28 HD13 LEU 28 40.263 10.763 2.557 206 HD21 LEU 28 HD21 LEU 28 37.385 10.496 -0.306 207 HD22 LEU 28 HD22 LEU 28 37.538 11.558 1.091 208 HD23 LEU 28 HD23 LEU 28 36.806 9.963 1.273 209 H ARG 29 HN ARG 29 40.902 6.681 -1.100 210 HA ARG 29 HA ARG 29 41.125 7.138 -3.854 211 HB2 ARG 29 HB2 ARG 29 42.969 6.265 -2.446 212 HB3 ARG 29 HB1 ARG 29 42.102 4.740 -2.277 213 HG2 ARG 29 HG2 ARG 29 42.182 4.450 -4.753 214 HG3 ARG 29 HG1 ARG 29 43.116 5.939 -4.880 215 HD2 ARG 29 HD2 ARG 29 43.949 3.547 -3.229 216 HD3 ARG 29 HD1 ARG 29 44.517 3.857 -4.867 217 HE ARG 29 HE ARG 29 45.340 5.250 -2.461 218 HH11 ARG 29 HH21 ARG 29 44.952 5.355 -5.888 219 HH12 ARG 29 HH22 ARG 29 46.228 6.497 -6.145 220 HH21 ARG 29 HH11 ARG 29 47.043 6.735 -2.784 221 HH22 ARG 29 HH12 ARG 29 47.414 7.276 -4.384 222 H GLN 30 HN GLN 30 39.501 4.490 -2.104 223 HA GLN 30 HA GLN 30 38.853 3.042 -4.473 224 HB2 GLN 30 HB2 GLN 30 37.635 2.999 -1.705 225 HB3 GLN 30 HB1 GLN 30 37.182 1.889 -3.000 226 HG2 GLN 30 HG2 GLN 30 39.458 1.060 -3.151 227 HG3 GLN 30 HG1 GLN 30 40.000 2.245 -1.960 228 HE21 GLN 30 HE21 GLN 30 40.652 -0.083 -0.981 229 HE22 GLN 30 HE22 GLN 30 39.505 -0.744 0.085 230 H ILE 31 HN ILE 31 37.139 5.386 -2.481 231 HA ILE 31 HA ILE 31 34.681 5.225 -3.816 232 HB ILE 31 HB ILE 31 35.955 7.484 -2.269 233 HG12 ILE 31 HG12 ILE 31 33.677 5.635 -1.510 234 HG13 ILE 31 HG11 ILE 31 35.360 5.256 -1.143 235 HG21 ILE 31 HG21 ILE 31 33.367 7.262 -3.744 236 HG22 ILE 31 HG22 ILE 31 34.361 8.684 -3.431 237 HG23 ILE 31 HG23 ILE 31 33.325 8.034 -2.159 238 HD11 ILE 31 HD11 ILE 31 33.765 6.640 0.548 239 HD12 ILE 31 HD12 ILE 31 34.433 7.980 -0.386 240 HD13 ILE 31 HD13 ILE 31 35.515 6.877 0.468 241 H TYR 32 HN TYR 32 37.419 7.498 -4.440 242 HA TYR 32 HA TYR 32 36.080 8.958 -6.450 243 HB2 TYR 32 HB2 TYR 32 38.112 9.798 -5.451 244 HB3 TYR 32 HB1 TYR 32 39.023 8.405 -6.034 245 HD1 TYR 32 HD1 TYR 32 36.923 11.267 -7.254 246 HD2 TYR 32 HD2 TYR 32 40.081 8.485 -8.142 247 HE1 TYR 32 HE1 TYR 32 37.390 12.466 -9.379 248 HE2 TYR 32 HE2 TYR 32 40.550 9.696 -10.257 249 HH TYR 32 HH TYR 32 40.105 11.497 -11.474 250 H LEU 33 HN LEU 33 38.308 6.168 -6.739 251 HA LEU 33 HA LEU 33 38.145 6.004 -9.554 252 HB2 LEU 33 HB2 LEU 33 38.870 3.945 -7.474 253 HB3 LEU 33 HB1 LEU 33 38.952 3.629 -9.204 254 HG LEU 33 HG LEU 33 40.351 5.969 -7.874 255 HD11 LEU 33 HD11 LEU 33 41.052 3.143 -7.920 256 HD12 LEU 33 HD12 LEU 33 41.819 4.473 -7.053 257 HD13 LEU 33 HD13 LEU 33 42.275 4.127 -8.719 258 HD21 LEU 33 HD21 LEU 33 40.627 6.589 -10.029 259 HD22 LEU 33 HD22 LEU 33 39.983 5.068 -10.633 260 HD23 LEU 33 HD23 LEU 33 41.689 5.194 -10.202 261 H SER 34 HN SER 34 36.205 4.395 -7.023 262 HA SER 34 HA SER 34 34.776 2.648 -8.695 263 HB2 SER 34 HB2 SER 34 34.674 2.548 -6.243 264 HB3 SER 34 HB1 SER 34 33.846 4.099 -6.209 265 HG SER 34 HG SER 34 32.176 2.770 -6.251 266 H GLY 35 HN GLY 35 34.304 6.033 -7.894 267 HA2 GLY 35 HA2 GLY 35 31.796 6.348 -9.222 268 HA3 GLY 35 HA1 GLY 35 32.873 7.645 -8.706 269 H LEU 36 HN LEU 36 35.159 6.799 -10.117 270 HA LEU 36 HA LEU 36 34.800 8.102 -12.561 271 HB2 LEU 36 HB2 LEU 36 36.979 7.871 -11.399 272 HB3 LEU 36 HB1 LEU 36 36.992 6.161 -11.826 273 HG LEU 36 HG LEU 36 36.908 6.772 -14.238 274 HD11 LEU 36 HD11 LEU 36 35.956 8.848 -14.534 275 HD12 LEU 36 HD12 LEU 36 37.653 9.324 -14.531 276 HD13 LEU 36 HD13 LEU 36 36.689 9.511 -13.069 277 HD21 LEU 36 HD21 LEU 36 39.072 6.392 -13.138 278 HD22 LEU 36 HD22 LEU 36 39.142 8.092 -12.670 279 HD23 LEU 36 HD23 LEU 36 39.214 7.643 -14.373 280 H HIS 37 HN HIS 37 34.772 4.663 -11.737 281 HA HIS 37 HA HIS 37 34.671 3.776 -14.471 282 HB2 HIS 37 HB2 HIS 37 34.137 2.331 -11.856 283 HB3 HIS 37 HB1 HIS 37 34.095 1.549 -13.438 284 HD2 HIS 37 HD2 HIS 37 36.685 2.306 -10.756 285 HE1 HIS 37 HE1 HIS 37 38.862 1.900 -14.348 286 HE2 HIS 37 HE2 HIS 37 39.052 2.028 -11.822 287 H SER 38 HN SER 38 32.419 5.072 -12.301 288 HA SER 38 HA SER 38 30.060 3.738 -13.185 289 HB2 SER 38 HB2 SER 38 30.228 6.536 -12.073 290 HB3 SER 38 HB1 SER 38 28.882 5.405 -11.958 291 HG SER 38 HG SER 38 31.320 4.528 -10.971 292 H TRP 39 HN TRP 39 32.181 5.785 -14.857 293 HA TRP 39 HA TRP 39 30.104 7.185 -16.323 294 HB2 TRP 39 HB2 TRP 39 33.109 7.158 -16.460 295 HB3 TRP 39 HB1 TRP 39 32.146 7.863 -17.766 296 HD1 TRP 39 HD1 TRP 39 33.047 8.367 -14.093 297 HE1 TRP 39 HE1 TRP 39 32.256 10.715 -13.367 298 HE3 TRP 39 HE3 TRP 39 30.414 9.744 -18.250 299 HZ2 TRP 39 HZ2 TRP 39 30.733 12.889 -14.416 300 HZ3 TRP 39 HZ3 TRP 39 29.306 11.961 -18.367 301 HH2 TRP 39 HH2 TRP 39 29.461 13.538 -16.450 302 H LYS 40 HN LYS 40 31.707 4.190 -16.454 303 HA LYS 40 HA LYS 40 31.673 2.464 -17.968 304 HB2 LYS 40 HB2 LYS 40 29.213 2.875 -17.682 305 HB3 LYS 40 HB1 LYS 40 29.274 3.921 -19.100 306 HG2 LYS 40 HG2 LYS 40 30.100 2.046 -20.471 307 HG3 LYS 40 HG1 LYS 40 30.065 0.991 -19.058 308 HD2 LYS 40 HD2 LYS 40 27.626 1.314 -18.863 309 HD3 LYS 40 HD1 LYS 40 27.657 2.380 -20.268 310 HE2 LYS 40 HE2 LYS 40 26.974 0.148 -20.979 311 HE3 LYS 40 HE1 LYS 40 28.568 0.507 -21.635 312 HZ1 LYS 40 HZ1 LYS 40 27.811 -1.607 -19.969 313 HZ2 LYS 40 HZ2 LYS 40 28.904 -0.629 -19.110 314 HZ3 LYS 40 HZ3 LYS 40 29.340 -1.274 -20.622 315 H LYS 41 HN LYS 41 33.678 3.464 -18.802 316 HA LYS 41 HA LYS 41 33.659 5.120 -21.122 317 HB2 LYS 41 HB2 LYS 41 35.584 4.926 -19.561 318 HB3 LYS 41 HB1 LYS 41 35.851 3.279 -20.136 319 HG2 LYS 41 HG2 LYS 41 36.203 4.114 -22.424 320 HG3 LYS 41 HG1 LYS 41 35.899 5.766 -21.880 321 HD2 LYS 41 HD2 LYS 41 37.829 5.586 -20.328 322 HD3 LYS 41 HD1 LYS 41 38.139 3.961 -20.937 323 HE2 LYS 41 HE2 LYS 41 38.490 4.846 -23.199 324 HE3 LYS 41 HE1 LYS 41 38.141 6.477 -22.627 325 HZ1 LYS 41 HZ1 LYS 41 40.469 6.270 -22.640 326 HZ2 LYS 41 HZ2 LYS 41 40.426 4.746 -21.887 327 HZ3 LYS 41 HZ3 LYS 41 40.013 6.140 -21.012 328 H LYS 42 HN LYS 42 33.540 4.612 -23.243 329 HA LYS 42 HA LYS 42 34.054 1.885 -24.132 330 HB2 LYS 42 HB2 LYS 42 31.666 1.857 -23.509 331 HB3 LYS 42 HB1 LYS 42 31.376 3.206 -24.604 332 HG2 LYS 42 HG2 LYS 42 32.133 1.854 -26.508 333 HG3 LYS 42 HG1 LYS 42 32.489 0.508 -25.424 334 HD2 LYS 42 HD2 LYS 42 30.120 0.400 -24.770 335 HD3 LYS 42 HD1 LYS 42 29.759 1.750 -25.843 336 HE2 LYS 42 HE2 LYS 42 29.211 -0.359 -26.951 337 HE3 LYS 42 HE1 LYS 42 30.563 0.414 -27.775 338 HZ1 LYS 42 HZ1 LYS 42 32.077 -1.088 -26.847 339 HZ2 LYS 42 HZ2 LYS 42 30.745 -2.062 -27.251 340 HZ3 LYS 42 HZ3 LYS 42 30.998 -1.593 -25.642 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 51.202 -3.815 22.739 2 H2 MET 1 HT2 MET 1 52.236 -2.545 23.187 3 H3 MET 1 HT3 MET 1 51.606 -3.587 24.371 4 HA MET 1 HA MET 1 54.041 -3.845 23.333 5 HB2 MET 1 HB2 MET 1 52.126 -5.987 24.304 6 HB3 MET 1 HB1 MET 1 53.862 -6.243 24.108 7 HG2 MET 1 HG2 MET 1 54.291 -4.351 25.661 8 HG3 MET 1 HG1 MET 1 52.554 -4.169 25.895 9 HE1 MET 1 HE1 MET 1 51.354 -7.037 27.868 10 HE2 MET 1 HE2 MET 1 51.445 -7.297 26.130 11 HE3 MET 1 HE3 MET 1 51.039 -5.701 26.752 12 H ALA 2 HN ALA 2 51.764 -6.420 22.456 13 HA ALA 2 HA ALA 2 52.611 -6.177 19.635 14 HB1 ALA 2 HB1 ALA 2 54.009 -7.927 20.339 15 HB2 ALA 2 HB2 ALA 2 52.610 -8.771 19.674 16 HB3 ALA 2 HB3 ALA 2 52.786 -8.594 21.420 17 H GLU 3 HN GLU 3 50.135 -5.575 21.245 18 HA GLU 3 HA GLU 3 48.131 -7.481 20.631 19 HB2 GLU 3 HB2 GLU 3 47.954 -4.510 21.191 20 HB3 GLU 3 HB1 GLU 3 46.569 -5.597 21.127 21 HG2 GLU 3 HG2 GLU 3 47.043 -5.568 23.414 22 HG3 GLU 3 HG1 GLU 3 47.926 -6.998 22.890 23 H ALA 4 HN ALA 4 46.870 -7.774 18.866 24 HA ALA 4 HA ALA 4 47.664 -6.722 16.352 25 HB1 ALA 4 HB1 ALA 4 45.486 -8.477 17.353 26 HB2 ALA 4 HB2 ALA 4 46.597 -8.715 16.005 27 HB3 ALA 4 HB3 ALA 4 45.195 -7.661 15.817 28 H HIS 5 HN HIS 5 46.743 -5.158 15.049 29 HA HIS 5 HA HIS 5 44.830 -3.339 16.388 30 HB2 HIS 5 HB2 HIS 5 47.005 -2.785 14.361 31 HB3 HIS 5 HB1 HIS 5 45.778 -1.604 14.812 32 HD2 HIS 5 HD2 HIS 5 48.943 -3.327 16.397 33 HE1 HIS 5 HE1 HIS 5 47.633 -0.292 19.025 34 HE2 HIS 5 HE2 HIS 5 49.488 -1.963 18.556 35 H GLN 6 HN GLN 6 42.961 -2.823 15.377 36 HA GLN 6 HA GLN 6 42.510 -3.980 12.685 37 HB2 GLN 6 HB2 GLN 6 40.555 -3.550 14.960 38 HB3 GLN 6 HB1 GLN 6 40.115 -4.103 13.344 39 HG2 GLN 6 HG2 GLN 6 41.566 -6.070 13.602 40 HG3 GLN 6 HG1 GLN 6 42.051 -5.512 15.202 41 HE21 GLN 6 HE21 GLN 6 39.830 -7.503 13.601 42 HE22 GLN 6 HE22 GLN 6 38.685 -7.646 14.846 43 H ALA 7 HN ALA 7 42.032 -2.585 11.114 44 HA ALA 7 HA ALA 7 41.022 0.095 11.850 45 HB1 ALA 7 HB1 ALA 7 42.929 0.973 11.061 46 HB2 ALA 7 HB2 ALA 7 42.449 0.400 9.464 47 HB3 ALA 7 HB3 ALA 7 43.483 -0.598 10.484 48 H VAL 8 HN VAL 8 39.669 1.085 10.323 49 HA VAL 8 HA VAL 8 38.637 -0.696 8.202 50 HB VAL 8 HB VAL 8 36.357 0.061 8.742 51 HG11 VAL 8 HG11 VAL 8 37.522 -0.901 11.339 52 HG12 VAL 8 HG12 VAL 8 37.613 -1.933 9.912 53 HG13 VAL 8 HG13 VAL 8 36.043 -1.411 10.524 54 HG21 VAL 8 HG21 VAL 8 37.885 1.716 10.713 55 HG22 VAL 8 HG22 VAL 8 36.294 1.127 11.187 56 HG23 VAL 8 HG23 VAL 8 36.468 2.141 9.754 57 H ALA 9 HN ALA 9 37.336 0.510 6.567 58 HA ALA 9 HA ALA 9 38.816 2.780 5.623 59 HB1 ALA 9 HB1 ALA 9 36.210 2.428 4.371 60 HB2 ALA 9 HB2 ALA 9 37.112 0.917 4.457 61 HB3 ALA 9 HB3 ALA 9 37.819 2.323 3.660 62 H PHE 10 HN PHE 10 35.691 2.292 7.192 63 HA PHE 10 HA PHE 10 35.638 5.160 7.769 64 HB2 PHE 10 HB2 PHE 10 33.428 5.519 7.077 65 HB3 PHE 10 HB1 PHE 10 34.196 4.662 5.752 66 HD1 PHE 10 HD1 PHE 10 34.046 1.822 7.192 67 HD2 PHE 10 HD2 PHE 10 31.199 4.960 6.483 68 HE1 PHE 10 HE1 PHE 10 32.209 0.179 7.286 69 HE2 PHE 10 HE2 PHE 10 29.363 3.304 6.574 70 HZ PHE 10 HZ PHE 10 29.866 0.916 6.973 71 H GLN 11 HN GLN 11 35.031 5.698 9.787 72 HA GLN 11 HA GLN 11 33.700 3.624 11.432 73 HB2 GLN 11 HB2 GLN 11 36.125 3.694 11.950 74 HB3 GLN 11 HB1 GLN 11 35.957 5.395 12.370 75 HG2 GLN 11 HG2 GLN 11 34.399 4.861 14.157 76 HG3 GLN 11 HG1 GLN 11 34.393 3.163 13.686 77 HE21 GLN 11 HE21 GLN 11 35.172 3.932 16.328 78 HE22 GLN 11 HE22 GLN 11 36.831 3.622 16.509 79 H PHE 12 HN PHE 12 32.101 4.281 12.726 80 HA PHE 12 HA PHE 12 31.670 7.186 13.018 81 HB2 PHE 12 HB2 PHE 12 30.097 6.564 11.403 82 HB3 PHE 12 HB1 PHE 12 29.818 4.993 12.134 83 HD1 PHE 12 HD1 PHE 12 29.882 8.162 14.097 84 HD2 PHE 12 HD2 PHE 12 27.438 5.166 12.221 85 HE1 PHE 12 HE1 PHE 12 27.905 9.018 15.310 86 HE2 PHE 12 HE2 PHE 12 25.456 6.034 13.429 87 HZ PHE 12 HZ PHE 12 25.689 7.959 14.972 88 H THR 13 HN THR 13 31.623 7.717 15.153 89 HA THR 13 HA THR 13 30.598 5.706 17.070 90 HB THR 13 HB THR 13 32.336 6.849 18.652 91 HG1 THR 13 HG1 THR 13 33.074 7.634 16.093 92 HG21 THR 13 HG21 THR 13 34.057 5.176 17.836 93 HG22 THR 13 HG22 THR 13 32.977 4.843 16.482 94 HG23 THR 13 HG23 THR 13 32.451 4.508 18.132 95 H VAL 14 HN VAL 14 29.141 6.358 18.496 96 HA VAL 14 HA VAL 14 28.380 9.194 18.475 97 HB VAL 14 HB VAL 14 26.968 6.766 19.609 98 HG11 VAL 14 HG11 VAL 14 25.127 8.804 19.256 99 HG12 VAL 14 HG12 VAL 14 26.545 9.656 19.867 100 HG13 VAL 14 HG13 VAL 14 25.846 8.330 20.796 101 HG21 VAL 14 HG21 VAL 14 25.981 8.387 17.290 102 HG22 VAL 14 HG22 VAL 14 25.722 6.681 17.652 103 HG23 VAL 14 HG23 VAL 14 27.272 7.219 17.006 104 H THR 15 HN THR 15 28.934 10.519 20.143 105 HA THR 15 HA THR 15 29.650 9.233 22.717 106 HB THR 15 HB THR 15 31.631 10.278 22.599 107 HG1 THR 15 HG1 THR 15 30.166 12.667 22.169 108 HG21 THR 15 HG21 THR 15 31.409 10.067 20.156 109 HG22 THR 15 HG22 THR 15 32.262 11.550 20.584 110 HG23 THR 15 HG23 THR 15 30.569 11.619 20.096 111 HA PRO 16 HA PRO 16 26.535 11.637 24.648 112 HB2 PRO 16 HB2 PRO 16 27.935 12.812 26.760 113 HB3 PRO 16 HB1 PRO 16 27.249 11.178 26.786 114 HG2 PRO 16 HG2 PRO 16 30.048 12.049 26.292 115 HG3 PRO 16 HG1 PRO 16 29.442 10.616 27.141 116 HD2 PRO 16 HD2 PRO 16 30.445 10.466 24.628 117 HD3 PRO 16 HD1 PRO 16 29.109 9.420 25.167 118 H ASP 17 HN ASP 17 29.616 13.171 23.833 119 HA ASP 17 HA ASP 17 28.515 15.842 23.985 120 HB2 ASP 17 HB2 ASP 17 31.161 14.747 23.037 121 HB3 ASP 17 HB1 ASP 17 30.745 16.459 22.981 122 H GLY 18 HN GLY 18 28.580 13.314 21.559 123 HA2 GLY 18 HA2 GLY 18 26.959 14.555 19.767 124 HA3 GLY 18 HA1 GLY 18 28.548 15.167 19.328 125 H ILE 19 HN ILE 19 28.907 14.135 17.411 126 HA ILE 19 HA ILE 19 29.090 11.204 17.488 127 HB ILE 19 HB ILE 19 28.376 11.315 15.046 128 HG12 ILE 19 HG12 ILE 19 27.310 14.014 15.914 129 HG13 ILE 19 HG11 ILE 19 28.709 13.794 14.862 130 HG21 ILE 19 HG21 ILE 19 26.902 10.569 16.974 131 HG22 ILE 19 HG22 ILE 19 26.031 11.197 15.575 132 HG23 ILE 19 HG23 ILE 19 26.249 12.208 17.003 133 HD11 ILE 19 HD11 ILE 19 27.173 12.406 13.356 134 HD12 ILE 19 HD12 ILE 19 26.864 14.143 13.396 135 HD13 ILE 19 HD13 ILE 19 25.835 13.042 14.313 136 H ASP 20 HN ASP 20 30.693 10.380 16.185 137 HA ASP 20 HA ASP 20 32.642 12.307 15.066 138 HB2 ASP 20 HB2 ASP 20 33.452 11.464 17.241 139 HB3 ASP 20 HB1 ASP 20 33.297 9.816 16.644 140 H LEU 21 HN LEU 21 33.520 11.745 13.112 141 HA LEU 21 HA LEU 21 32.944 9.051 12.103 142 HB2 LEU 21 HB2 LEU 21 32.403 11.621 10.589 143 HB3 LEU 21 HB1 LEU 21 32.199 9.986 9.960 144 HG LEU 21 HG LEU 21 30.712 9.798 12.217 145 HD11 LEU 21 HD11 LEU 21 29.455 11.830 12.575 146 HD12 LEU 21 HD12 LEU 21 30.270 12.630 11.233 147 HD13 LEU 21 HD13 LEU 21 31.165 12.238 12.699 148 HD21 LEU 21 HD21 LEU 21 28.753 10.464 10.650 149 HD22 LEU 21 HD22 LEU 21 29.788 9.129 10.144 150 HD23 LEU 21 HD23 LEU 21 30.003 10.729 9.436 151 H ARG 22 HN ARG 22 34.685 8.183 11.306 152 HA ARG 22 HA ARG 22 36.878 9.935 10.346 153 HB2 ARG 22 HB2 ARG 22 37.031 7.427 12.014 154 HB3 ARG 22 HB1 ARG 22 38.430 8.145 11.216 155 HG2 ARG 22 HG2 ARG 22 38.059 10.249 12.420 156 HG3 ARG 22 HG1 ARG 22 36.621 9.574 13.186 157 HD2 ARG 22 HD2 ARG 22 39.390 8.379 13.460 158 HD3 ARG 22 HD1 ARG 22 38.689 9.502 14.623 159 HE ARG 22 HE ARG 22 36.853 7.419 14.267 160 HH11 ARG 22 HH21 ARG 22 40.080 7.944 15.377 161 HH12 ARG 22 HH22 ARG 22 40.038 6.671 16.549 162 HH21 ARG 22 HH11 ARG 22 36.780 5.740 15.805 163 HH22 ARG 22 HH12 ARG 22 38.168 5.422 16.792 164 H LEU 23 HN LEU 23 37.896 9.445 8.476 165 HA LEU 23 HA LEU 23 37.300 6.850 7.252 166 HB2 LEU 23 HB2 LEU 23 36.999 9.501 5.816 167 HB3 LEU 23 HB1 LEU 23 36.851 7.903 5.088 168 HG LEU 23 HG LEU 23 35.081 7.662 7.138 169 HD11 LEU 23 HD11 LEU 23 33.847 9.689 7.442 170 HD12 LEU 23 HD12 LEU 23 34.744 10.506 6.161 171 HD13 LEU 23 HD13 LEU 23 35.543 10.112 7.685 172 HD21 LEU 23 HD21 LEU 23 34.777 8.631 4.300 173 HD22 LEU 23 HD22 LEU 23 33.361 8.445 5.334 174 HD23 LEU 23 HD23 LEU 23 34.381 7.051 4.979 175 H SER 24 HN SER 24 39.013 5.991 6.287 176 HA SER 24 HA SER 24 41.567 7.279 6.526 177 HB2 SER 24 HB2 SER 24 42.363 5.174 5.358 178 HB3 SER 24 HB1 SER 24 41.513 4.929 6.881 179 HG SER 24 HG SER 24 39.685 4.371 5.748 180 H HIS 25 HN HIS 25 43.006 7.788 4.876 181 HA HIS 25 HA HIS 25 42.014 9.247 2.707 182 HB2 HIS 25 HB2 HIS 25 44.738 7.987 3.144 183 HB3 HIS 25 HB1 HIS 25 44.379 9.159 1.876 184 HD2 HIS 25 HD2 HIS 25 44.971 9.083 5.747 185 HE1 HIS 25 HE1 HIS 25 44.351 13.101 4.617 186 HE2 HIS 25 HE2 HIS 25 45.038 11.573 6.522 187 H GLU 26 HN GLU 26 42.814 5.912 3.110 188 HA GLU 26 HA GLU 26 42.932 5.161 0.367 189 HB2 GLU 26 HB2 GLU 26 42.309 3.545 2.848 190 HB3 GLU 26 HB1 GLU 26 42.560 2.850 1.246 191 HG2 GLU 26 HG2 GLU 26 44.824 3.807 1.170 192 HG3 GLU 26 HG1 GLU 26 44.573 4.550 2.749 193 H ALA 27 HN ALA 27 40.330 5.378 2.750 194 HA ALA 27 HA ALA 27 38.302 4.097 1.279 195 HB1 ALA 27 HB1 ALA 27 36.736 5.213 2.730 196 HB2 ALA 27 HB2 ALA 27 37.929 6.440 3.160 197 HB3 ALA 27 HB3 ALA 27 38.146 4.771 3.693 198 H LEU 28 HN LEU 28 39.630 7.300 1.158 199 HA LEU 28 HA LEU 28 37.641 8.445 -0.566 200 HB2 LEU 28 HB2 LEU 28 40.478 9.278 0.080 201 HB3 LEU 28 HB1 LEU 28 39.422 10.204 -0.979 202 HG LEU 28 HG LEU 28 38.772 9.471 1.894 203 HD11 LEU 28 HD11 LEU 28 40.545 11.042 2.018 204 HD12 LEU 28 HD12 LEU 28 39.087 12.020 2.164 205 HD13 LEU 28 HD13 LEU 28 39.949 11.949 0.629 206 HD21 LEU 28 HD21 LEU 28 37.277 10.754 -0.321 207 HD22 LEU 28 HD22 LEU 28 37.218 11.622 1.213 208 HD23 LEU 28 HD23 LEU 28 36.674 9.947 1.126 209 H ARG 29 HN ARG 29 40.754 6.882 -1.022 210 HA ARG 29 HA ARG 29 41.021 7.338 -3.789 211 HB2 ARG 29 HB2 ARG 29 42.129 5.184 -1.984 212 HB3 ARG 29 HB1 ARG 29 42.563 5.324 -3.686 213 HG2 ARG 29 HG2 ARG 29 43.342 7.634 -3.297 214 HG3 ARG 29 HG1 ARG 29 42.922 7.482 -1.590 215 HD2 ARG 29 HD2 ARG 29 44.523 5.621 -1.357 216 HD3 ARG 29 HD1 ARG 29 44.934 5.761 -3.063 217 HE ARG 29 HE ARG 29 45.347 8.277 -2.003 218 HH11 ARG 29 HH21 ARG 29 46.462 5.060 -1.369 219 HH12 ARG 29 HH22 ARG 29 48.039 5.566 -0.864 220 HH21 ARG 29 HH11 ARG 29 47.398 8.939 -1.346 221 HH22 ARG 29 HH12 ARG 29 48.570 7.764 -0.851 222 H GLN 30 HN GLN 30 39.406 4.697 -2.025 223 HA GLN 30 HA GLN 30 38.905 3.151 -4.384 224 HB2 GLN 30 HB2 GLN 30 37.589 3.108 -1.658 225 HB3 GLN 30 HB1 GLN 30 37.301 1.917 -2.923 226 HG2 GLN 30 HG2 GLN 30 40.011 2.524 -1.708 227 HG3 GLN 30 HG1 GLN 30 38.997 1.155 -1.266 228 HE21 GLN 30 HE21 GLN 30 41.671 1.767 -3.032 229 HE22 GLN 30 HE22 GLN 30 41.475 0.645 -4.291 230 H ILE 31 HN ILE 31 37.055 5.489 -2.491 231 HA ILE 31 HA ILE 31 34.641 5.216 -3.899 232 HB ILE 31 HB ILE 31 35.774 7.512 -2.297 233 HG12 ILE 31 HG12 ILE 31 33.502 5.619 -1.647 234 HG13 ILE 31 HG11 ILE 31 35.172 5.248 -1.230 235 HG21 ILE 31 HG21 ILE 31 34.207 8.640 -3.592 236 HG22 ILE 31 HG22 ILE 31 33.181 8.058 -2.278 237 HG23 ILE 31 HG23 ILE 31 33.210 7.204 -3.821 238 HD11 ILE 31 HD11 ILE 31 33.407 6.734 0.321 239 HD12 ILE 31 HD12 ILE 31 34.410 7.964 -0.450 240 HD13 ILE 31 HD13 ILE 31 35.160 6.690 0.512 241 H TYR 32 HN TYR 32 37.363 7.524 -4.492 242 HA TYR 32 HA TYR 32 36.042 8.918 -6.580 243 HB2 TYR 32 HB2 TYR 32 38.027 9.851 -5.551 244 HB3 TYR 32 HB1 TYR 32 38.991 8.470 -6.067 245 HD1 TYR 32 HD1 TYR 32 36.780 11.154 -7.463 246 HD2 TYR 32 HD2 TYR 32 40.156 8.575 -8.098 247 HE1 TYR 32 HE1 TYR 32 37.241 12.287 -9.621 248 HE2 TYR 32 HE2 TYR 32 40.616 9.708 -10.257 249 HH TYR 32 HH TYR 32 38.373 11.848 -11.723 250 H LEU 33 HN LEU 33 38.326 6.204 -6.661 251 HA LEU 33 HA LEU 33 38.362 5.869 -9.463 252 HB2 LEU 33 HB2 LEU 33 38.918 3.966 -7.191 253 HB3 LEU 33 HB1 LEU 33 39.180 3.547 -8.881 254 HG LEU 33 HG LEU 33 40.401 5.972 -7.537 255 HD11 LEU 33 HD11 LEU 33 42.521 4.467 -7.800 256 HD12 LEU 33 HD12 LEU 33 41.360 3.140 -7.844 257 HD13 LEU 33 HD13 LEU 33 41.442 4.191 -6.432 258 HD21 LEU 33 HD21 LEU 33 40.785 6.515 -9.709 259 HD22 LEU 33 HD22 LEU 33 40.351 4.908 -10.283 260 HD23 LEU 33 HD23 LEU 33 41.978 5.219 -9.683 261 H SER 34 HN SER 34 36.306 4.381 -6.957 262 HA SER 34 HA SER 34 35.024 2.496 -8.594 263 HB2 SER 34 HB2 SER 34 34.858 2.512 -6.134 264 HB3 SER 34 HB1 SER 34 33.916 3.998 -6.207 265 HG SER 34 HG SER 34 32.240 2.910 -6.993 266 H GLY 35 HN GLY 35 34.406 5.895 -7.979 267 HA2 GLY 35 HA2 GLY 35 31.949 6.043 -9.444 268 HA3 GLY 35 HA1 GLY 35 32.922 7.407 -8.902 269 H LEU 36 HN LEU 36 35.343 6.532 -10.156 270 HA LEU 36 HA LEU 36 35.104 7.784 -12.646 271 HB2 LEU 36 HB2 LEU 36 37.221 7.711 -11.429 272 HB3 LEU 36 HB1 LEU 36 37.292 5.961 -11.615 273 HG LEU 36 HG LEU 36 37.422 6.203 -14.062 274 HD11 LEU 36 HD11 LEU 36 37.900 8.682 -14.811 275 HD12 LEU 36 HD12 LEU 36 36.960 9.087 -13.376 276 HD13 LEU 36 HD13 LEU 36 36.237 8.116 -14.661 277 HD21 LEU 36 HD21 LEU 36 39.604 6.166 -13.390 278 HD22 LEU 36 HD22 LEU 36 39.383 7.482 -12.239 279 HD23 LEU 36 HD23 LEU 36 39.579 7.836 -13.954 280 H HIS 37 HN HIS 37 35.062 4.383 -11.727 281 HA HIS 37 HA HIS 37 35.125 3.417 -14.439 282 HB2 HIS 37 HB2 HIS 37 34.428 2.089 -11.807 283 HB3 HIS 37 HB1 HIS 37 34.480 1.239 -13.351 284 HD2 HIS 37 HD2 HIS 37 37.046 0.521 -14.191 285 HE1 HIS 37 HE1 HIS 37 39.187 2.561 -11.177 286 HE2 HIS 37 HE2 HIS 37 39.391 0.937 -13.120 287 H SER 38 HN SER 38 32.763 4.667 -12.321 288 HA SER 38 HA SER 38 30.458 3.342 -13.398 289 HB2 SER 38 HB2 SER 38 30.486 5.999 -11.975 290 HB3 SER 38 HB1 SER 38 29.182 4.814 -12.039 291 HG SER 38 HG SER 38 31.599 3.873 -11.098 292 H TRP 39 HN TRP 39 32.563 5.530 -14.781 293 HA TRP 39 HA TRP 39 30.692 7.237 -16.097 294 HB2 TRP 39 HB2 TRP 39 33.237 7.591 -15.706 295 HB3 TRP 39 HB1 TRP 39 33.430 6.617 -17.164 296 HD1 TRP 39 HD1 TRP 39 33.046 7.776 -19.426 297 HE1 TRP 39 HE1 TRP 39 32.247 10.118 -20.155 298 HE3 TRP 39 HE3 TRP 39 31.533 9.632 -14.917 299 HZ2 TRP 39 HZ2 TRP 39 31.120 12.472 -18.975 300 HZ3 TRP 39 HZ3 TRP 39 30.602 11.922 -14.748 301 HH2 TRP 39 HH2 TRP 39 30.393 13.342 -16.769 302 H LYS 40 HN LYS 40 32.223 4.153 -16.802 303 HA LYS 40 HA LYS 40 30.879 4.079 -19.423 304 HB2 LYS 40 HB2 LYS 40 33.085 2.371 -18.254 305 HB3 LYS 40 HB1 LYS 40 32.329 2.079 -19.823 306 HG2 LYS 40 HG2 LYS 40 33.005 4.295 -20.602 307 HG3 LYS 40 HG1 LYS 40 33.678 4.670 -19.018 308 HD2 LYS 40 HD2 LYS 40 35.555 4.016 -20.309 309 HD3 LYS 40 HD1 LYS 40 35.171 2.598 -19.337 310 HE2 LYS 40 HE2 LYS 40 34.139 1.491 -21.184 311 HE3 LYS 40 HE1 LYS 40 34.099 2.970 -22.143 312 HZ1 LYS 40 HZ1 LYS 40 36.550 1.546 -21.266 313 HZ2 LYS 40 HZ2 LYS 40 36.510 2.978 -22.181 314 HZ3 LYS 40 HZ3 LYS 40 35.904 1.531 -22.834 315 H LYS 41 HN LYS 41 29.495 2.456 -19.997 316 HA LYS 41 HA LYS 41 27.962 1.287 -17.869 317 HB2 LYS 41 HB2 LYS 41 27.808 1.062 -20.881 318 HB3 LYS 41 HB1 LYS 41 26.656 0.303 -19.781 319 HG2 LYS 41 HG2 LYS 41 26.091 2.509 -18.832 320 HG3 LYS 41 HG1 LYS 41 27.254 3.277 -19.913 321 HD2 LYS 41 HD2 LYS 41 25.989 2.437 -21.866 322 HD3 LYS 41 HD1 LYS 41 24.820 1.687 -20.779 323 HE2 LYS 41 HE2 LYS 41 24.231 3.889 -19.861 324 HE3 LYS 41 HE1 LYS 41 25.428 4.657 -20.904 325 HZ1 LYS 41 HZ1 LYS 41 23.334 4.848 -21.964 326 HZ2 LYS 41 HZ2 LYS 41 22.979 3.202 -21.731 327 HZ3 LYS 41 HZ3 LYS 41 24.202 3.667 -22.818 328 H LYS 42 HN LYS 42 27.799 -0.838 -17.283 329 HA LYS 42 HA LYS 42 30.076 -2.535 -17.924 330 HB2 LYS 42 HB2 LYS 42 29.275 -2.292 -15.587 331 HB3 LYS 42 HB1 LYS 42 27.740 -3.019 -16.054 332 HG2 LYS 42 HG2 LYS 42 28.930 -5.080 -16.744 333 HG3 LYS 42 HG1 LYS 42 30.459 -4.348 -16.261 334 HD2 LYS 42 HD2 LYS 42 29.660 -4.162 -13.942 335 HD3 LYS 42 HD1 LYS 42 28.106 -4.850 -14.415 336 HE2 LYS 42 HE2 LYS 42 29.519 -6.595 -13.423 337 HE3 LYS 42 HE1 LYS 42 29.259 -6.928 -15.134 338 HZ1 LYS 42 HZ1 LYS 42 31.491 -7.162 -15.068 339 HZ2 LYS 42 HZ2 LYS 42 31.691 -6.116 -13.744 340 HZ3 LYS 42 HZ3 LYS 42 31.452 -5.485 -15.302
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