NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
586837 | 2mrn | 25086 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN -16 HT1 ASN -16 36.614 -18.492 0.952 2 H2 ASN -16 HT2 ASN -16 37.455 -19.084 2.301 3 H3 ASN -16 HT3 ASN -16 36.657 -17.607 2.372 4 HA ASN -16 HA ASN -16 35.301 -20.161 1.969 5 HB2 ASN -16 HB2 ASN -16 36.229 -20.083 4.222 6 HB3 ASN -16 HB1 ASN -16 35.615 -18.454 4.457 7 HD21 ASN -16 HD21 ASN -16 34.836 -21.821 4.358 8 HD22 ASN -16 HD22 ASN -16 33.255 -21.701 5.025 9 H HIS -15 HN HIS -15 33.120 -19.954 1.553 10 HA HIS -15 HA HIS -15 32.034 -17.227 1.500 11 HB2 HIS -15 HB2 HIS -15 31.353 -19.560 -0.325 12 HB3 HIS -15 HB1 HIS -15 30.493 -18.032 -0.296 13 HD1 HIS -15 HD1 HIS -15 31.355 -16.260 -1.919 14 HD2 HIS -15 HD2 HIS -15 34.133 -19.244 -1.130 15 HE1 HIS -15 HE1 HIS -15 33.260 -15.885 -3.502 16 H LYS -14 HN LYS -14 30.000 -16.974 2.345 17 HA LYS -14 HA LYS -14 29.190 -19.178 4.095 18 HB2 LYS -14 HB2 LYS -14 28.598 -16.223 4.286 19 HB3 LYS -14 HB1 LYS -14 28.032 -17.440 5.417 20 HG2 LYS -14 HG2 LYS -14 30.315 -17.987 6.023 21 HG3 LYS -14 HG1 LYS -14 30.926 -16.809 4.867 22 HD2 LYS -14 HD2 LYS -14 30.997 -15.899 7.114 23 HD3 LYS -14 HD1 LYS -14 29.817 -15.016 6.150 24 HE2 LYS -14 HE2 LYS -14 28.006 -16.280 7.192 25 HE3 LYS -14 HE1 LYS -14 29.178 -17.229 8.107 26 HZ1 LYS -14 HZ1 LYS -14 28.824 -14.294 8.335 27 HZ2 LYS -14 HZ2 LYS -14 29.850 -15.234 9.271 28 HZ3 LYS -14 HZ3 LYS -14 28.170 -15.409 9.400 29 H VAL -13 HN VAL -13 28.440 -19.529 1.559 30 HA VAL -13 HA VAL -13 25.915 -18.451 0.857 31 HB VAL -13 HB VAL -13 25.779 -20.266 -0.835 32 HG11 VAL -13 HG11 VAL -13 28.447 -18.871 -0.688 33 HG12 VAL -13 HG12 VAL -13 26.955 -18.213 -1.364 34 HG13 VAL -13 HG13 VAL -13 27.744 -19.584 -2.142 35 HG21 VAL -13 HG21 VAL -13 26.856 -22.068 0.433 36 HG22 VAL -13 HG22 VAL -13 28.393 -21.207 0.369 37 HG23 VAL -13 HG23 VAL -13 27.665 -21.823 -1.115 38 H HIS -12 HN HIS -12 26.810 -20.906 3.013 39 HA HIS -12 HA HIS -12 24.410 -22.389 3.163 40 HB2 HIS -12 HB2 HIS -12 26.464 -23.258 4.115 41 HB3 HIS -12 HB1 HIS -12 26.626 -21.855 5.158 42 HD1 HIS -12 HD1 HIS -12 24.843 -25.162 4.905 43 HD2 HIS -12 HD2 HIS -12 25.126 -21.920 7.488 44 HE1 HIS -12 HE1 HIS -12 23.798 -25.891 7.073 45 H HIS -11 HN HIS -11 25.324 -19.258 4.242 46 HA HIS -11 HA HIS -11 23.186 -19.183 6.204 47 HB2 HIS -11 HB2 HIS -11 25.470 -17.260 5.751 48 HB3 HIS -11 HB1 HIS -11 24.238 -17.089 6.992 49 HD1 HIS -11 HD1 HIS -11 24.548 -18.494 9.145 50 HD2 HIS -11 HD2 HIS -11 27.321 -19.355 6.175 51 HE1 HIS -11 HE1 HIS -11 26.307 -19.920 10.221 52 H HIS -10 HN HIS -10 21.350 -18.674 5.311 53 HA HIS -10 HA HIS -10 21.287 -16.326 3.589 54 HB2 HIS -10 HB2 HIS -10 19.060 -17.164 2.774 55 HB3 HIS -10 HB1 HIS -10 20.396 -18.217 2.351 56 HD1 HIS -10 HD1 HIS -10 20.257 -20.654 3.202 57 HD2 HIS -10 HD2 HIS -10 17.266 -18.195 4.714 58 HE1 HIS -10 HE1 HIS -10 18.594 -22.176 4.301 59 H HIS -9 HN HIS -9 20.158 -14.607 4.264 60 HA HIS -9 HA HIS -9 19.010 -14.922 6.930 61 HB2 HIS -9 HB2 HIS -9 20.308 -12.487 5.692 62 HB3 HIS -9 HB1 HIS -9 19.476 -12.476 7.243 63 HD1 HIS -9 HD1 HIS -9 20.724 -13.653 9.263 64 HD2 HIS -9 HD2 HIS -9 22.832 -13.652 5.674 65 HE1 HIS -9 HE1 HIS -9 23.056 -14.378 9.824 66 H HIS -8 HN HIS -8 16.977 -15.173 6.774 67 HA HIS -8 HA HIS -8 14.805 -14.810 6.493 68 HB2 HIS -8 HB2 HIS -8 15.679 -12.069 5.586 69 HB3 HIS -8 HB1 HIS -8 13.989 -12.551 5.613 70 HD1 HIS -8 HD1 HIS -8 12.796 -12.197 7.792 71 HD2 HIS -8 HD2 HIS -8 16.926 -12.120 8.200 72 HE1 HIS -8 HE1 HIS -8 13.253 -11.498 10.171 73 H HIS -7 HN HIS -7 13.097 -14.766 4.965 74 HA HIS -7 HA HIS -7 14.064 -15.470 2.299 75 HB2 HIS -7 HB2 HIS -7 11.578 -16.373 3.768 76 HB3 HIS -7 HB1 HIS -7 11.923 -16.750 2.085 77 HD1 HIS -7 HD1 HIS -7 13.463 -18.730 1.655 78 HD2 HIS -7 HD2 HIS -7 13.290 -17.633 5.646 79 HE1 HIS -7 HE1 HIS -7 14.678 -20.533 2.930 80 H MET -6 HN MET -6 13.789 -13.876 0.971 81 HA MET -6 HA MET -6 11.692 -11.934 1.422 82 HB2 MET -6 HB2 MET -6 13.950 -11.173 0.827 83 HB3 MET -6 HB1 MET -6 13.841 -12.043 -0.698 84 HG2 MET -6 HG2 MET -6 12.017 -10.600 -1.390 85 HG3 MET -6 HG1 MET -6 12.091 -9.739 0.147 86 HE1 MET -6 HE1 MET -6 13.503 -7.121 -2.390 87 HE2 MET -6 HE2 MET -6 12.475 -7.328 -0.981 88 HE3 MET -6 HE3 MET -6 12.104 -8.198 -2.465 89 H SER -5 HN SER -5 9.810 -12.694 0.854 90 HA SER -5 HA SER -5 9.313 -13.279 -1.892 91 HB2 SER -5 HB2 SER -5 8.034 -15.412 -1.133 92 HB3 SER -5 HB1 SER -5 9.785 -15.506 -1.289 93 HG SER -5 HG SER -5 9.363 -16.370 0.679 94 H ASP -4 HN ASP -4 7.911 -11.749 -2.198 95 HA ASP -4 HA ASP -4 6.379 -10.509 -0.191 96 HB2 ASP -4 HB2 ASP -4 6.112 -10.279 -3.167 97 HB3 ASP -4 HB1 ASP -4 5.277 -9.258 -2.019 98 H ASP -3 HN ASP -3 5.507 -12.804 -2.539 99 HA ASP -3 HA ASP -3 2.701 -12.651 -1.846 100 HB2 ASP -3 HB2 ASP -3 3.144 -13.230 -4.126 101 HB3 ASP -3 HB1 ASP -3 4.195 -14.558 -3.659 102 H ASP -2 HN ASP -2 5.383 -14.720 -1.100 103 HA ASP -2 HA ASP -2 3.926 -16.758 0.181 104 HB2 ASP -2 HB2 ASP -2 6.145 -17.258 -0.547 105 HB3 ASP -2 HB1 ASP -2 6.813 -15.969 0.448 106 H ASP -1 HN ASP -1 5.328 -13.776 1.477 107 HA ASP -1 HA ASP -1 4.814 -14.487 4.215 108 HB2 ASP -1 HB2 ASP -1 6.370 -12.586 3.332 109 HB3 ASP -1 HB1 ASP -1 4.894 -11.632 3.238 110 H LYS 0 HN LYS 0 2.910 -14.660 5.128 111 HA LYS 0 HA LYS 0 0.667 -13.849 3.544 112 HB2 LYS 0 HB2 LYS 0 0.906 -16.226 4.191 113 HB3 LYS 0 HB1 LYS 0 0.775 -15.753 5.875 114 HG2 LYS 0 HG2 LYS 0 -1.476 -14.933 5.493 115 HG3 LYS 0 HG1 LYS 0 -1.349 -15.351 3.779 116 HD2 LYS 0 HD2 LYS 0 -0.968 -17.705 4.441 117 HD3 LYS 0 HD1 LYS 0 -1.219 -17.211 6.116 118 HE2 LYS 0 HE2 LYS 0 -3.251 -16.920 3.911 119 HE3 LYS 0 HE1 LYS 0 -3.235 -18.209 5.115 120 HZ1 LYS 0 HZ1 LYS 0 -3.592 -16.571 6.844 121 HZ2 LYS 0 HZ2 LYS 0 -4.765 -16.404 5.677 122 HZ3 LYS 0 HZ3 LYS 0 -3.503 -15.314 5.734 123 H GLY 1 HN GLY 1 0.993 -11.808 4.127 124 HA2 GLY 1 HA2 GLY 1 0.521 -10.647 6.649 125 HA3 GLY 1 HA1 GLY 1 0.236 -9.892 5.087 126 H ILE 2 HN ILE 2 -1.823 -9.013 5.223 127 HA ILE 2 HA ILE 2 -3.915 -10.695 6.425 128 HB ILE 2 HB ILE 2 -3.972 -7.708 5.843 129 HG12 ILE 2 HG12 ILE 2 -3.750 -9.147 8.499 130 HG13 ILE 2 HG11 ILE 2 -2.417 -8.341 7.678 131 HG21 ILE 2 HG21 ILE 2 -6.044 -7.681 7.158 132 HG22 ILE 2 HG22 ILE 2 -5.971 -9.435 7.311 133 HG23 ILE 2 HG23 ILE 2 -6.198 -8.697 5.724 134 HD11 ILE 2 HD11 ILE 2 -3.593 -6.200 7.918 135 HD12 ILE 2 HD12 ILE 2 -3.313 -6.976 9.478 136 HD13 ILE 2 HD13 ILE 2 -4.914 -7.032 8.740 137 H HIS 3 HN HIS 3 -5.121 -11.805 4.990 138 HA HIS 3 HA HIS 3 -5.263 -10.856 2.253 139 HB2 HIS 3 HB2 HIS 3 -6.192 -13.440 3.547 140 HB3 HIS 3 HB1 HIS 3 -6.614 -13.021 1.893 141 HD1 HIS 3 HD1 HIS 3 -5.061 -14.180 0.216 142 HD2 HIS 3 HD2 HIS 3 -3.118 -13.308 3.817 143 HE1 HIS 3 HE1 HIS 3 -2.718 -15.013 0.001 144 H SER 4 HN SER 4 -7.124 -10.278 1.212 145 HA SER 4 HA SER 4 -9.501 -9.714 2.859 146 HB2 SER 4 HB2 SER 4 -9.449 -7.396 2.011 147 HB3 SER 4 HB1 SER 4 -7.953 -7.774 2.865 148 HG SER 4 HG SER 4 -6.915 -8.099 1.010 149 H SER 5 HN SER 5 -10.699 -8.143 0.869 150 HA SER 5 HA SER 5 -10.435 -9.305 -1.671 151 HB2 SER 5 HB2 SER 5 -11.778 -11.073 -0.519 152 HB3 SER 5 HB1 SER 5 -13.033 -9.859 -0.234 153 HG SER 5 HG SER 5 -12.005 -10.426 -2.785 154 H VAL 6 HN VAL 6 -11.089 -7.990 -3.111 155 HA VAL 6 HA VAL 6 -12.116 -5.376 -2.336 156 HB VAL 6 HB VAL 6 -11.364 -6.430 -5.079 157 HG11 VAL 6 HG11 VAL 6 -12.874 -4.537 -5.199 158 HG12 VAL 6 HG12 VAL 6 -11.262 -4.080 -5.743 159 HG13 VAL 6 HG13 VAL 6 -11.822 -3.598 -4.137 160 HG21 VAL 6 HG21 VAL 6 -9.494 -6.468 -3.618 161 HG22 VAL 6 HG22 VAL 6 -9.836 -4.811 -3.100 162 HG23 VAL 6 HG23 VAL 6 -9.297 -5.128 -4.764 163 H LYS 7 HN LYS 7 -14.247 -5.043 -2.312 164 HA LYS 7 HA LYS 7 -15.830 -6.853 -3.977 165 HB2 LYS 7 HB2 LYS 7 -16.533 -5.535 -1.379 166 HB3 LYS 7 HB1 LYS 7 -17.688 -6.495 -2.357 167 HG2 LYS 7 HG2 LYS 7 -15.246 -7.374 -0.826 168 HG3 LYS 7 HG1 LYS 7 -16.926 -7.762 -0.479 169 HD2 LYS 7 HD2 LYS 7 -16.990 -8.982 -2.683 170 HD3 LYS 7 HD1 LYS 7 -15.239 -8.731 -2.786 171 HE2 LYS 7 HE2 LYS 7 -15.113 -9.803 -0.483 172 HE3 LYS 7 HE1 LYS 7 -16.787 -10.281 -0.736 173 HZ1 LYS 7 HZ1 LYS 7 -15.987 -11.490 -2.802 174 HZ2 LYS 7 HZ2 LYS 7 -15.395 -12.060 -1.340 175 HZ3 LYS 7 HZ3 LYS 7 -14.413 -11.107 -2.282 176 H ARG 8 HN ARG 8 -18.131 -5.730 -4.295 177 HA ARG 8 HA ARG 8 -17.448 -3.252 -5.667 178 HB2 ARG 8 HB2 ARG 8 -18.259 -5.139 -6.944 179 HB3 ARG 8 HB1 ARG 8 -19.782 -5.067 -6.058 180 HG2 ARG 8 HG2 ARG 8 -20.144 -2.812 -6.937 181 HG3 ARG 8 HG1 ARG 8 -18.631 -2.949 -7.847 182 HD2 ARG 8 HD2 ARG 8 -20.788 -4.899 -7.965 183 HD3 ARG 8 HD1 ARG 8 -20.796 -3.526 -9.096 184 HE ARG 8 HE ARG 8 -18.591 -4.441 -9.845 185 HH11 ARG 8 HH11 ARG 8 -20.908 -6.690 -8.308 186 HH12 ARG 8 HH12 ARG 8 -20.404 -8.046 -9.198 187 HH21 ARG 8 HH21 ARG 8 -17.903 -6.383 -11.068 188 HH22 ARG 8 HH22 ARG 8 -18.656 -7.865 -10.751 189 H TRP 9 HN TRP 9 -17.953 -1.560 -4.479 190 HA TRP 9 HA TRP 9 -20.405 -1.446 -2.846 191 HB2 TRP 9 HB2 TRP 9 -18.179 -0.705 -1.858 192 HB3 TRP 9 HB1 TRP 9 -18.104 0.521 -3.088 193 HD1 TRP 9 HD1 TRP 9 -21.562 0.336 -1.672 194 HE1 TRP 9 HE1 TRP 9 -21.919 2.165 0.038 195 HE3 TRP 9 HE3 TRP 9 -16.668 2.090 -1.040 196 HZ2 TRP 9 HZ2 TRP 9 -20.537 4.082 1.360 197 HZ3 TRP 9 HZ3 TRP 9 -16.383 3.934 0.434 198 HH2 TRP 9 HH2 TRP 9 -18.336 4.914 1.661 199 H GLY 10 HN GLY 10 -22.007 -1.160 -4.388 200 HA2 GLY 10 HA2 GLY 10 -23.287 0.108 -5.804 201 HA3 GLY 10 HA1 GLY 10 -22.004 1.329 -5.848 202 H ASN 11 HN ASN 11 -21.148 1.491 -7.776 203 HA ASN 11 HA ASN 11 -20.578 -1.022 -9.231 204 HB2 ASN 11 HB2 ASN 11 -20.883 1.798 -10.306 205 HB3 ASN 11 HB1 ASN 11 -20.287 0.453 -11.259 206 HD21 ASN 11 HD21 ASN 11 -21.921 0.603 -12.719 207 HD22 ASN 11 HD22 ASN 11 -23.553 0.146 -12.384 208 H SER 12 HN SER 12 -18.812 0.106 -6.993 209 HA SER 12 HA SER 12 -16.533 0.764 -8.595 210 HB2 SER 12 HB2 SER 12 -17.466 2.163 -6.088 211 HB3 SER 12 HB1 SER 12 -15.963 2.485 -6.973 212 HG SER 12 HG SER 12 -17.224 3.910 -7.877 213 HA PRO 13 HA PRO 13 -14.702 -2.331 -5.946 214 HB2 PRO 13 HB2 PRO 13 -12.089 -1.581 -6.340 215 HB3 PRO 13 HB1 PRO 13 -13.011 -2.564 -7.480 216 HG2 PRO 13 HG2 PRO 13 -12.356 0.336 -7.574 217 HG3 PRO 13 HG1 PRO 13 -12.500 -0.824 -8.901 218 HD2 PRO 13 HD2 PRO 13 -14.470 1.004 -8.251 219 HD3 PRO 13 HD1 PRO 13 -14.801 -0.539 -9.047 220 H ALA 14 HN ALA 14 -14.743 -2.250 -3.820 221 HA ALA 14 HA ALA 14 -13.243 -0.181 -2.458 222 HB1 ALA 14 HB1 ALA 14 -15.044 0.050 -0.831 223 HB2 ALA 14 HB2 ALA 14 -16.032 -1.079 -1.755 224 HB3 ALA 14 HB3 ALA 14 -15.603 0.487 -2.448 225 H VAL 15 HN VAL 15 -12.127 -1.006 -0.791 226 HA VAL 15 HA VAL 15 -12.592 -3.831 -0.134 227 HB VAL 15 HB VAL 15 -10.344 -3.223 -1.221 228 HG11 VAL 15 HG11 VAL 15 -9.955 -1.109 -0.080 229 HG12 VAL 15 HG12 VAL 15 -8.604 -2.222 0.133 230 HG13 VAL 15 HG13 VAL 15 -9.757 -1.969 1.445 231 HG21 VAL 15 HG21 VAL 15 -10.607 -5.323 -0.032 232 HG22 VAL 15 HG22 VAL 15 -10.257 -4.525 1.503 233 HG23 VAL 15 HG23 VAL 15 -9.003 -4.656 0.273 234 H ARG 16 HN ARG 16 -12.289 -4.377 2.104 235 HA ARG 16 HA ARG 16 -13.209 -2.191 3.796 236 HB2 ARG 16 HB2 ARG 16 -13.194 -5.169 4.153 237 HB3 ARG 16 HB1 ARG 16 -13.425 -4.115 5.551 238 HG2 ARG 16 HG2 ARG 16 -15.610 -4.717 4.931 239 HG3 ARG 16 HG1 ARG 16 -15.316 -3.182 4.061 240 HD2 ARG 16 HD2 ARG 16 -16.467 -4.890 2.833 241 HD3 ARG 16 HD1 ARG 16 -15.027 -4.227 2.081 242 HE ARG 16 HE ARG 16 -13.861 -6.313 2.778 243 HH11 ARG 16 HH11 ARG 16 -17.417 -6.458 2.806 244 HH12 ARG 16 HH12 ARG 16 -17.474 -8.142 2.611 245 HH21 ARG 16 HH21 ARG 16 -13.959 -8.633 2.562 246 HH22 ARG 16 HH22 ARG 16 -15.464 -9.409 2.485 247 H ILE 17 HN ILE 17 -11.833 -1.145 5.007 248 HA ILE 17 HA ILE 17 -9.142 -2.207 5.267 249 HB ILE 17 HB ILE 17 -10.297 0.545 5.853 250 HG12 ILE 17 HG12 ILE 17 -8.284 1.235 4.412 251 HG13 ILE 17 HG11 ILE 17 -8.192 -0.457 3.963 252 HG21 ILE 17 HG21 ILE 17 -8.783 0.043 7.684 253 HG22 ILE 17 HG22 ILE 17 -8.164 1.307 6.596 254 HG23 ILE 17 HG23 ILE 17 -7.506 -0.336 6.506 255 HD11 ILE 17 HD11 ILE 17 -9.334 0.936 2.387 256 HD12 ILE 17 HD12 ILE 17 -10.540 1.317 3.627 257 HD13 ILE 17 HD13 ILE 17 -10.362 -0.356 3.011 258 HA PRO 18 HA PRO 18 -10.031 -3.908 9.275 259 HB2 PRO 18 HB2 PRO 18 -7.405 -3.922 10.210 260 HB3 PRO 18 HB1 PRO 18 -8.150 -5.192 9.241 261 HG2 PRO 18 HG2 PRO 18 -6.361 -2.974 8.354 262 HG3 PRO 18 HG1 PRO 18 -6.430 -4.653 7.801 263 HD2 PRO 18 HD2 PRO 18 -7.473 -2.636 6.375 264 HD3 PRO 18 HD1 PRO 18 -8.221 -4.245 6.393 265 H ALA 19 HN ALA 19 -10.857 -2.782 10.866 266 HA ALA 19 HA ALA 19 -10.416 -0.064 11.361 267 HB1 ALA 19 HB1 ALA 19 -11.634 -2.111 13.222 268 HB2 ALA 19 HB2 ALA 19 -12.486 -1.270 11.933 269 HB3 ALA 19 HB3 ALA 19 -11.859 -0.361 13.304 270 H THR 20 HN THR 20 -8.953 -2.913 12.642 271 HA THR 20 HA THR 20 -7.649 -1.989 14.886 272 HB THR 20 HB THR 20 -6.582 -3.964 12.869 273 HG1 THR 20 HG1 THR 20 -8.175 -5.093 14.745 274 HG21 THR 20 HG21 THR 20 -5.203 -3.479 14.872 275 HG22 THR 20 HG22 THR 20 -5.811 -5.134 14.837 276 HG23 THR 20 HG23 THR 20 -6.571 -3.945 15.896 277 H LEU 21 HN LEU 21 -6.758 -1.793 11.427 278 HA LEU 21 HA LEU 21 -4.148 -0.684 11.961 279 HB2 LEU 21 HB2 LEU 21 -5.681 -1.399 9.531 280 HB3 LEU 21 HB1 LEU 21 -4.334 -0.295 9.387 281 HG LEU 21 HG LEU 21 -3.895 -2.631 8.876 282 HD11 LEU 21 HD11 LEU 21 -1.676 -2.639 10.022 283 HD12 LEU 21 HD12 LEU 21 -2.305 -1.547 11.239 284 HD13 LEU 21 HD13 LEU 21 -2.099 -0.979 9.586 285 HD21 LEU 21 HD21 LEU 21 -4.211 -2.952 11.826 286 HD22 LEU 21 HD22 LEU 21 -3.443 -4.185 10.807 287 HD23 LEU 21 HD23 LEU 21 -5.154 -3.773 10.580 288 H MET 22 HN MET 22 -7.202 0.331 10.994 289 HA MET 22 HA MET 22 -6.801 3.027 10.372 290 HB2 MET 22 HB2 MET 22 -9.040 1.836 12.017 291 HB3 MET 22 HB1 MET 22 -9.066 3.482 11.421 292 HG2 MET 22 HG2 MET 22 -8.917 1.036 9.671 293 HG3 MET 22 HG1 MET 22 -10.410 1.863 10.107 294 HE1 MET 22 HE1 MET 22 -11.106 4.184 9.371 295 HE2 MET 22 HE2 MET 22 -10.074 5.304 8.468 296 HE3 MET 22 HE3 MET 22 -9.644 4.828 10.114 297 H GLN 23 HN GLN 23 -7.382 1.671 13.477 298 HA GLN 23 HA GLN 23 -6.772 3.901 15.088 299 HB2 GLN 23 HB2 GLN 23 -6.385 0.989 15.694 300 HB3 GLN 23 HB1 GLN 23 -6.445 2.294 16.870 301 HG2 GLN 23 HG2 GLN 23 -8.720 2.753 16.246 302 HG3 GLN 23 HG1 GLN 23 -8.672 1.499 15.021 303 HE21 GLN 23 HE21 GLN 23 -10.262 0.298 15.907 304 HE22 GLN 23 HE22 GLN 23 -10.109 -0.592 17.376 305 H ALA 24 HN ALA 24 -4.777 1.422 13.655 306 HA ALA 24 HA ALA 24 -2.494 1.891 15.319 307 HB1 ALA 24 HB1 ALA 24 -2.889 -0.268 14.182 308 HB2 ALA 24 HB2 ALA 24 -1.283 0.390 13.873 309 HB3 ALA 24 HB3 ALA 24 -2.537 0.514 12.639 310 H LEU 25 HN LEU 25 -3.507 3.109 12.246 311 HA LEU 25 HA LEU 25 -0.994 4.582 11.968 312 HB2 LEU 25 HB2 LEU 25 -3.212 4.066 10.045 313 HB3 LEU 25 HB1 LEU 25 -1.819 5.070 9.684 314 HG LEU 25 HG LEU 25 -1.653 2.152 10.435 315 HD11 LEU 25 HD11 LEU 25 -1.522 3.501 7.769 316 HD12 LEU 25 HD12 LEU 25 -2.790 2.416 8.353 317 HD13 LEU 25 HD13 LEU 25 -1.149 1.809 8.093 318 HD21 LEU 25 HD21 LEU 25 0.638 2.387 9.504 319 HD22 LEU 25 HD22 LEU 25 0.382 3.306 10.974 320 HD23 LEU 25 HD23 LEU 25 0.381 4.126 9.410 321 H ASN 26 HN ASN 26 -3.951 5.008 13.230 322 HA ASN 26 HA ASN 26 -5.119 6.672 14.086 323 HB2 ASN 26 HB2 ASN 26 -2.692 8.401 13.526 324 HB3 ASN 26 HB1 ASN 26 -4.065 8.886 14.510 325 HD21 ASN 26 HD21 ASN 26 -1.164 7.058 14.355 326 HD22 ASN 26 HD22 ASN 26 -1.145 6.524 15.996 327 H LEU 27 HN LEU 27 -6.136 6.114 11.774 328 HA LEU 27 HA LEU 27 -6.927 8.729 10.857 329 HB2 LEU 27 HB2 LEU 27 -7.446 7.726 8.754 330 HB3 LEU 27 HB1 LEU 27 -5.713 7.789 9.048 331 HG LEU 27 HG LEU 27 -7.188 5.247 9.598 332 HD11 LEU 27 HD11 LEU 27 -6.350 6.214 6.875 333 HD12 LEU 27 HD12 LEU 27 -8.000 6.138 7.498 334 HD13 LEU 27 HD13 LEU 27 -7.088 4.637 7.281 335 HD21 LEU 27 HD21 LEU 27 -4.476 5.920 8.426 336 HD22 LEU 27 HD22 LEU 27 -5.082 4.303 8.781 337 HD23 LEU 27 HD23 LEU 27 -4.806 5.450 10.092 338 H ASN 28 HN ASN 28 -9.062 8.736 10.080 339 HA ASN 28 HA ASN 28 -10.838 6.747 11.345 340 HB2 ASN 28 HB2 ASN 28 -12.403 8.648 11.919 341 HB3 ASN 28 HB1 ASN 28 -10.970 8.546 12.903 342 HD21 ASN 28 HD21 ASN 28 -11.167 10.005 9.621 343 HD22 ASN 28 HD22 ASN 28 -10.817 11.596 10.167 344 H ILE 29 HN ILE 29 -13.224 7.376 10.678 345 HA ILE 29 HA ILE 29 -13.481 6.996 7.902 346 HB ILE 29 HB ILE 29 -15.400 7.810 10.071 347 HG12 ILE 29 HG12 ILE 29 -14.700 5.461 10.157 348 HG13 ILE 29 HG11 ILE 29 -16.396 5.577 9.709 349 HG21 ILE 29 HG21 ILE 29 -16.193 7.255 7.199 350 HG22 ILE 29 HG22 ILE 29 -16.218 8.828 7.990 351 HG23 ILE 29 HG23 ILE 29 -17.305 7.559 8.548 352 HD11 ILE 29 HD11 ILE 29 -15.770 5.195 7.385 353 HD12 ILE 29 HD12 ILE 29 -15.287 3.887 8.471 354 HD13 ILE 29 HD13 ILE 29 -14.079 5.033 7.886 355 H ASP 30 HN ASP 30 -13.906 8.371 6.275 356 HA ASP 30 HA ASP 30 -14.233 10.178 5.040 357 HB2 ASP 30 HB2 ASP 30 -15.909 10.889 6.825 358 HB3 ASP 30 HB1 ASP 30 -14.616 11.837 7.551 359 H ASP 31 HN ASP 31 -11.680 9.390 6.557 360 HA ASP 31 HA ASP 31 -10.199 11.863 6.554 361 HB2 ASP 31 HB2 ASP 31 -10.007 9.782 8.097 362 HB3 ASP 31 HB1 ASP 31 -9.019 9.120 6.801 363 H GLU 32 HN GLU 32 -8.155 11.706 5.328 364 HA GLU 32 HA GLU 32 -8.738 10.786 2.605 365 HB2 GLU 32 HB2 GLU 32 -8.836 13.146 2.752 366 HB3 GLU 32 HB1 GLU 32 -7.355 13.258 3.669 367 HG2 GLU 32 HG2 GLU 32 -6.153 12.395 1.708 368 HG3 GLU 32 HG1 GLU 32 -7.680 12.357 0.831 369 H VAL 33 HN VAL 33 -7.243 9.366 1.722 370 HA VAL 33 HA VAL 33 -4.693 9.391 3.085 371 HB VAL 33 HB VAL 33 -4.375 7.077 3.083 372 HG11 VAL 33 HG11 VAL 33 -5.978 7.738 4.664 373 HG12 VAL 33 HG12 VAL 33 -6.321 6.082 4.065 374 HG13 VAL 33 HG13 VAL 33 -7.255 7.475 3.451 375 HG21 VAL 33 HG21 VAL 33 -4.950 6.548 0.780 376 HG22 VAL 33 HG22 VAL 33 -6.662 6.745 1.154 377 HG23 VAL 33 HG23 VAL 33 -5.746 5.420 1.883 378 H LYS 34 HN LYS 34 -2.897 8.664 1.835 379 HA LYS 34 HA LYS 34 -3.254 9.485 -0.952 380 HB2 LYS 34 HB2 LYS 34 -1.789 10.794 0.646 381 HB3 LYS 34 HB1 LYS 34 -0.705 9.417 0.613 382 HG2 LYS 34 HG2 LYS 34 -0.181 9.785 -1.648 383 HG3 LYS 34 HG1 LYS 34 -1.561 10.885 -1.834 384 HD2 LYS 34 HD2 LYS 34 0.534 12.137 -1.670 385 HD3 LYS 34 HD1 LYS 34 -0.538 12.488 -0.321 386 HE2 LYS 34 HE2 LYS 34 1.648 12.266 0.561 387 HE3 LYS 34 HE1 LYS 34 0.790 10.798 1.014 388 HZ1 LYS 34 HZ1 LYS 34 2.640 11.137 -1.241 389 HZ2 LYS 34 HZ2 LYS 34 1.889 9.684 -0.921 390 HZ3 LYS 34 HZ3 LYS 34 3.030 10.344 0.171 391 H ILE 35 HN ILE 35 -3.227 7.918 -2.315 392 HA ILE 35 HA ILE 35 -1.895 5.397 -1.713 393 HB ILE 35 HB ILE 35 -3.736 6.083 -4.047 394 HG12 ILE 35 HG12 ILE 35 -5.282 4.350 -2.905 395 HG13 ILE 35 HG11 ILE 35 -4.336 4.665 -1.457 396 HG21 ILE 35 HG21 ILE 35 -2.614 3.438 -3.197 397 HG22 ILE 35 HG22 ILE 35 -2.182 4.371 -4.631 398 HG23 ILE 35 HG23 ILE 35 -3.799 3.682 -4.482 399 HD11 ILE 35 HD11 ILE 35 -4.976 7.012 -1.567 400 HD12 ILE 35 HD12 ILE 35 -6.391 5.963 -1.497 401 HD13 ILE 35 HD13 ILE 35 -5.895 6.682 -3.029 402 H ASP 36 HN ASP 36 0.041 5.221 -2.440 403 HA ASP 36 HA ASP 36 0.796 6.714 -4.851 404 HB2 ASP 36 HB2 ASP 36 2.228 6.258 -2.307 405 HB3 ASP 36 HB1 ASP 36 3.214 6.356 -3.766 406 H LEU 37 HN LEU 37 1.530 5.543 -6.590 407 HA LEU 37 HA LEU 37 1.838 2.796 -6.194 408 HB2 LEU 37 HB2 LEU 37 0.510 3.903 -8.067 409 HB3 LEU 37 HB1 LEU 37 2.067 4.543 -8.575 410 HG LEU 37 HG LEU 37 1.134 2.582 -9.877 411 HD11 LEU 37 HD11 LEU 37 3.875 2.472 -8.739 412 HD12 LEU 37 HD12 LEU 37 3.351 3.393 -10.140 413 HD13 LEU 37 HD13 LEU 37 3.354 1.614 -10.206 414 HD21 LEU 37 HD21 LEU 37 2.204 1.072 -7.533 415 HD22 LEU 37 HD22 LEU 37 1.483 0.382 -9.007 416 HD23 LEU 37 HD23 LEU 37 0.506 1.347 -7.883 417 H VAL 38 HN VAL 38 3.697 2.015 -6.083 418 HA VAL 38 HA VAL 38 6.126 3.509 -6.779 419 HB VAL 38 HB VAL 38 5.769 2.237 -4.035 420 HG11 VAL 38 HG11 VAL 38 7.970 3.124 -3.484 421 HG12 VAL 38 HG12 VAL 38 8.128 3.766 -5.115 422 HG13 VAL 38 HG13 VAL 38 8.056 2.023 -4.862 423 HG21 VAL 38 HG21 VAL 38 6.034 5.169 -4.743 424 HG22 VAL 38 HG22 VAL 38 5.956 4.508 -3.109 425 HG23 VAL 38 HG23 VAL 38 4.567 4.367 -4.184 426 H ASP 39 HN ASP 39 6.966 2.148 -8.231 427 HA ASP 39 HA ASP 39 8.008 0.355 -9.164 428 HB2 ASP 39 HB2 ASP 39 8.303 -0.425 -6.261 429 HB3 ASP 39 HB1 ASP 39 8.988 -1.382 -7.565 430 H GLY 40 HN GLY 40 5.241 0.316 -8.965 431 HA2 GLY 40 HA2 GLY 40 3.566 -1.129 -9.706 432 HA3 GLY 40 HA1 GLY 40 4.737 -2.439 -9.633 433 H LYS 41 HN LYS 41 4.474 -0.605 -6.774 434 HA LYS 41 HA LYS 41 2.735 -2.644 -5.567 435 HB2 LYS 41 HB2 LYS 41 5.264 -2.298 -4.937 436 HB3 LYS 41 HB1 LYS 41 4.658 -0.897 -4.092 437 HG2 LYS 41 HG2 LYS 41 4.705 -2.544 -2.437 438 HG3 LYS 41 HG1 LYS 41 3.015 -2.476 -2.946 439 HD2 LYS 41 HD2 LYS 41 3.569 -4.787 -2.821 440 HD3 LYS 41 HD1 LYS 41 3.545 -4.356 -4.535 441 HE2 LYS 41 HE2 LYS 41 6.055 -4.068 -4.421 442 HE3 LYS 41 HE1 LYS 41 5.963 -4.654 -2.772 443 HZ1 LYS 41 HZ1 LYS 41 5.161 -6.172 -5.188 444 HZ2 LYS 41 HZ2 LYS 41 5.020 -6.722 -3.619 445 HZ3 LYS 41 HZ3 LYS 41 6.558 -6.439 -4.276 446 H LEU 42 HN LEU 42 1.064 -1.769 -4.279 447 HA LEU 42 HA LEU 42 0.864 1.118 -4.452 448 HB2 LEU 42 HB2 LEU 42 -1.224 -0.955 -3.860 449 HB3 LEU 42 HB1 LEU 42 -1.504 0.734 -3.468 450 HG LEU 42 HG LEU 42 -0.868 -0.286 -6.196 451 HD11 LEU 42 HD11 LEU 42 -3.577 0.284 -4.914 452 HD12 LEU 42 HD12 LEU 42 -2.984 -1.308 -5.380 453 HD13 LEU 42 HD13 LEU 42 -3.344 -0.104 -6.617 454 HD21 LEU 42 HD21 LEU 42 -1.960 2.333 -5.183 455 HD22 LEU 42 HD22 LEU 42 -2.171 1.811 -6.823 456 HD23 LEU 42 HD23 LEU 42 -0.556 2.109 -6.252 457 H ILE 43 HN ILE 43 1.350 2.275 -3.048 458 HA ILE 43 HA ILE 43 1.903 1.203 -0.380 459 HB ILE 43 HB ILE 43 2.958 3.674 -1.738 460 HG12 ILE 43 HG12 ILE 43 3.720 1.705 -2.869 461 HG13 ILE 43 HG11 ILE 43 5.070 2.486 -2.025 462 HG21 ILE 43 HG21 ILE 43 4.629 3.753 0.036 463 HG22 ILE 43 HG22 ILE 43 3.840 2.391 0.841 464 HG23 ILE 43 HG23 ILE 43 2.987 3.929 0.651 465 HD11 ILE 43 HD11 ILE 43 4.942 0.748 -0.314 466 HD12 ILE 43 HD12 ILE 43 5.182 0.034 -1.913 467 HD13 ILE 43 HD13 ILE 43 3.593 -0.004 -1.164 468 H ILE 44 HN ILE 44 0.642 1.838 1.119 469 HA ILE 44 HA ILE 44 -1.177 4.087 0.650 470 HB ILE 44 HB ILE 44 -1.353 1.856 2.670 471 HG12 ILE 44 HG12 ILE 44 -1.804 1.068 0.417 472 HG13 ILE 44 HG11 ILE 44 -3.282 1.056 1.365 473 HG21 ILE 44 HG21 ILE 44 -3.252 4.146 2.160 474 HG22 ILE 44 HG22 ILE 44 -2.410 3.763 3.667 475 HG23 ILE 44 HG23 ILE 44 -3.689 2.711 3.073 476 HD11 ILE 44 HD11 ILE 44 -3.710 1.825 -0.884 477 HD12 ILE 44 HD12 ILE 44 -2.497 3.091 -0.713 478 HD13 ILE 44 HD13 ILE 44 -3.970 3.144 0.259 479 H GLU 45 HN GLU 45 -0.612 5.900 1.449 480 HA GLU 45 HA GLU 45 0.884 6.070 3.973 481 HB2 GLU 45 HB2 GLU 45 2.105 6.797 1.912 482 HB3 GLU 45 HB1 GLU 45 0.779 7.865 1.514 483 HG2 GLU 45 HG2 GLU 45 2.533 9.198 2.350 484 HG3 GLU 45 HG1 GLU 45 1.316 9.132 3.619 485 HA PRO 46 HA PRO 46 -2.893 8.253 4.748 486 HB2 PRO 46 HB2 PRO 46 -2.159 9.108 7.349 487 HB3 PRO 46 HB1 PRO 46 -3.139 7.704 6.924 488 HG2 PRO 46 HG2 PRO 46 -0.690 7.709 8.040 489 HG3 PRO 46 HG1 PRO 46 -1.406 6.285 7.239 490 HD2 PRO 46 HD2 PRO 46 0.558 8.297 6.181 491 HD3 PRO 46 HD1 PRO 46 0.569 6.580 5.796 492 H VAL 47 HN VAL 47 -3.480 10.441 5.450 493 HA VAL 47 HA VAL 47 -1.386 12.264 4.526 494 HB VAL 47 HB VAL 47 -4.365 12.822 4.502 495 HG11 VAL 47 HG11 VAL 47 -2.048 14.195 3.295 496 HG12 VAL 47 HG12 VAL 47 -2.886 14.784 4.760 497 HG13 VAL 47 HG13 VAL 47 -3.719 14.746 3.163 498 HG21 VAL 47 HG21 VAL 47 -4.042 12.780 2.015 499 HG22 VAL 47 HG22 VAL 47 -3.872 11.226 2.836 500 HG23 VAL 47 HG23 VAL 47 -2.429 12.171 2.369 501 H ARG 48 HN ARG 48 -0.437 13.086 6.001 502 HA ARG 48 HA ARG 48 -1.452 12.813 8.635 503 HB2 ARG 48 HB2 ARG 48 0.743 13.513 9.405 504 HB3 ARG 48 HB1 ARG 48 0.798 12.157 8.295 505 HG2 ARG 48 HG2 ARG 48 1.559 13.580 6.519 506 HG3 ARG 48 HG1 ARG 48 1.354 15.012 7.530 507 HD2 ARG 48 HD2 ARG 48 3.681 14.329 7.448 508 HD3 ARG 48 HD1 ARG 48 3.011 14.177 9.073 509 HE ARG 48 HE ARG 48 3.417 11.932 7.223 510 HH11 ARG 48 HH11 ARG 48 3.087 13.148 10.539 511 HH12 ARG 48 HH12 ARG 48 3.834 11.802 11.263 512 HH21 ARG 48 HH21 ARG 48 4.486 10.031 8.255 513 HH22 ARG 48 HH22 ARG 48 4.656 10.006 9.944 514 H LYS 49 HN LYS 49 -2.095 14.163 9.957 515 HA LYS 49 HA LYS 49 -1.740 16.958 9.567 516 HB2 LYS 49 HB2 LYS 49 -4.293 16.970 10.431 517 HB3 LYS 49 HB1 LYS 49 -3.829 17.069 8.732 518 HG2 LYS 49 HG2 LYS 49 -5.670 15.517 8.982 519 HG3 LYS 49 HG1 LYS 49 -4.220 14.632 8.526 520 HD2 LYS 49 HD2 LYS 49 -3.915 14.080 10.949 521 HD3 LYS 49 HD1 LYS 49 -5.481 14.805 11.259 522 HE2 LYS 49 HE2 LYS 49 -4.916 12.464 9.431 523 HE3 LYS 49 HE1 LYS 49 -5.644 12.363 11.031 524 HZ1 LYS 49 HZ1 LYS 49 -7.281 12.215 9.327 525 HZ2 LYS 49 HZ2 LYS 49 -6.833 13.689 8.649 526 HZ3 LYS 49 HZ3 LYS 49 -7.524 13.633 10.190 527 H GLU 50 HN GLU 50 -0.461 17.183 11.202 528 HA GLU 50 HA GLU 50 -1.295 16.160 13.805 529 HB2 GLU 50 HB2 GLU 50 1.447 17.001 12.816 530 HB3 GLU 50 HB1 GLU 50 1.091 16.763 14.511 531 HG2 GLU 50 HG2 GLU 50 2.209 14.815 13.732 532 HG3 GLU 50 HG1 GLU 50 0.532 14.371 13.974 533 H1 ASN -16 HT1 ASN -16 36.931 17.695 0.077 534 H2 ASN -16 HT2 ASN -16 37.837 18.381 -1.170 535 H3 ASN -16 HT3 ASN -16 37.030 16.904 -1.398 536 HA ASN -16 HA ASN -16 35.679 19.471 -0.868 537 HB2 ASN -16 HB2 ASN -16 36.673 19.394 -3.143 538 HB3 ASN -16 HB1 ASN -16 35.899 17.840 -3.414 539 HD21 ASN -16 HD21 ASN -16 35.400 21.282 -3.190 540 HD22 ASN -16 HD22 ASN -16 33.803 21.282 -3.797 541 H HIS -15 HN HIS -15 33.590 19.208 -0.225 542 HA HIS -15 HA HIS -15 32.478 16.502 -0.401 543 HB2 HIS -15 HB2 HIS -15 31.809 18.794 1.475 544 HB3 HIS -15 HB1 HIS -15 30.871 17.316 1.380 545 HD1 HIS -15 HD1 HIS -15 31.610 15.437 2.911 546 HD2 HIS -15 HD2 HIS -15 34.525 18.358 2.396 547 HE1 HIS -15 HE1 HIS -15 33.487 14.828 4.467 548 H LYS -14 HN LYS -14 30.377 16.288 -1.233 549 HA LYS -14 HA LYS -14 29.638 18.537 -2.949 550 HB2 LYS -14 HB2 LYS -14 28.986 15.596 -3.238 551 HB3 LYS -14 HB1 LYS -14 28.473 16.868 -4.332 552 HG2 LYS -14 HG2 LYS -14 30.812 17.334 -4.901 553 HG3 LYS -14 HG1 LYS -14 31.334 16.068 -3.794 554 HD2 LYS -14 HD2 LYS -14 31.345 15.221 -6.064 555 HD3 LYS -14 HD1 LYS -14 30.080 14.411 -5.139 556 HE2 LYS -14 HE2 LYS -14 28.410 15.948 -6.124 557 HE3 LYS -14 HE1 LYS -14 29.693 16.712 -7.059 558 HZ1 LYS -14 HZ1 LYS -14 28.823 13.895 -7.244 559 HZ2 LYS -14 HZ2 LYS -14 30.048 14.584 -8.191 560 HZ3 LYS -14 HZ3 LYS -14 28.451 15.109 -8.350 561 H VAL -13 HN VAL -13 28.830 19.003 -0.536 562 HA VAL -13 HA VAL -13 26.280 17.885 0.122 563 HB VAL -13 HB VAL -13 26.116 19.680 1.854 564 HG11 VAL -13 HG11 VAL -13 28.762 18.247 1.789 565 HG12 VAL -13 HG12 VAL -13 27.235 17.591 2.388 566 HG13 VAL -13 HG13 VAL -13 28.004 18.944 3.221 567 HG21 VAL -13 HG21 VAL -13 27.276 21.454 0.643 568 HG22 VAL -13 HG22 VAL -13 28.796 20.568 0.780 569 HG23 VAL -13 HG23 VAL -13 28.005 21.190 2.227 570 H HIS -12 HN HIS -12 27.279 20.201 -2.040 571 HA HIS -12 HA HIS -12 24.962 21.839 -2.235 572 HB2 HIS -12 HB2 HIS -12 27.066 22.591 -3.171 573 HB3 HIS -12 HB1 HIS -12 27.192 21.162 -4.178 574 HD1 HIS -12 HD1 HIS -12 25.848 24.640 -4.163 575 HD2 HIS -12 HD2 HIS -12 25.493 21.199 -6.466 576 HE1 HIS -12 HE1 HIS -12 24.860 25.364 -6.351 577 H HIS -11 HN HIS -11 25.745 18.653 -3.288 578 HA HIS -11 HA HIS -11 23.647 18.647 -5.307 579 HB2 HIS -11 HB2 HIS -11 25.824 16.629 -4.732 580 HB3 HIS -11 HB1 HIS -11 24.627 16.486 -6.013 581 HD1 HIS -11 HD1 HIS -11 25.243 17.577 -8.221 582 HD2 HIS -11 HD2 HIS -11 27.620 18.870 -5.073 583 HE1 HIS -11 HE1 HIS -11 27.072 18.973 -9.242 584 H HIS -10 HN HIS -10 21.761 18.277 -4.413 585 HA HIS -10 HA HIS -10 21.552 15.986 -2.620 586 HB2 HIS -10 HB2 HIS -10 19.354 16.978 -1.844 587 HB3 HIS -10 HB1 HIS -10 20.756 17.944 -1.438 588 HD1 HIS -10 HD1 HIS -10 20.720 20.416 -2.262 589 HD2 HIS -10 HD2 HIS -10 17.695 18.074 -3.903 590 HE1 HIS -10 HE1 HIS -10 19.201 21.985 -3.462 591 H HIS -9 HN HIS -9 20.715 14.225 -3.453 592 HA HIS -9 HA HIS -9 19.460 14.513 -6.043 593 HB2 HIS -9 HB2 HIS -9 20.635 12.049 -4.746 594 HB3 HIS -9 HB1 HIS -9 19.879 12.064 -6.330 595 HD1 HIS -9 HD1 HIS -9 21.269 13.143 -8.303 596 HD2 HIS -9 HD2 HIS -9 23.191 13.186 -4.605 597 HE1 HIS -9 HE1 HIS -9 23.666 13.755 -8.760 598 H HIS -8 HN HIS -8 17.415 14.812 -5.966 599 HA HIS -8 HA HIS -8 15.221 14.545 -5.724 600 HB2 HIS -8 HB2 HIS -8 15.993 11.779 -4.815 601 HB3 HIS -8 HB1 HIS -8 14.316 12.298 -4.868 602 HD1 HIS -8 HD1 HIS -8 13.165 12.154 -7.125 603 HD2 HIS -8 HD2 HIS -8 17.289 11.734 -7.379 604 HE1 HIS -8 HE1 HIS -8 13.640 11.465 -9.485 605 H HIS -7 HN HIS -7 13.448 14.506 -4.242 606 HA HIS -7 HA HIS -7 14.348 15.221 -1.553 607 HB2 HIS -7 HB2 HIS -7 12.005 16.241 -3.158 608 HB3 HIS -7 HB1 HIS -7 12.133 16.484 -1.421 609 HD1 HIS -7 HD1 HIS -7 13.787 18.267 -0.604 610 HD2 HIS -7 HD2 HIS -7 13.832 17.692 -4.715 611 HE1 HIS -7 HE1 HIS -7 15.112 20.188 -1.564 612 H MET -6 HN MET -6 14.161 13.509 -0.397 613 HA MET -6 HA MET -6 11.994 11.651 -0.708 614 HB2 MET -6 HB2 MET -6 14.262 10.878 -0.129 615 HB3 MET -6 HB1 MET -6 14.174 11.771 1.380 616 HG2 MET -6 HG2 MET -6 12.397 10.336 2.165 617 HG3 MET -6 HG1 MET -6 12.372 9.483 0.623 618 HE1 MET -6 HE1 MET -6 12.729 7.945 3.475 619 HE2 MET -6 HE2 MET -6 13.872 6.731 2.892 620 HE3 MET -6 HE3 MET -6 12.538 7.259 1.871 621 H SER -5 HN SER -5 10.098 12.436 -0.146 622 HA SER -5 HA SER -5 9.621 13.061 2.603 623 HB2 SER -5 HB2 SER -5 8.286 15.141 1.844 624 HB3 SER -5 HB1 SER -5 10.043 15.280 1.897 625 HG SER -5 HG SER -5 10.047 14.849 -0.356 626 H ASP -4 HN ASP -4 8.197 11.587 3.032 627 HA ASP -4 HA ASP -4 6.721 10.114 1.144 628 HB2 ASP -4 HB2 ASP -4 6.230 10.264 4.108 629 HB3 ASP -4 HB1 ASP -4 5.658 9.007 3.026 630 H ASP -3 HN ASP -3 5.741 12.594 3.280 631 HA ASP -3 HA ASP -3 2.934 12.357 2.532 632 HB2 ASP -3 HB2 ASP -3 3.309 13.010 4.816 633 HB3 ASP -3 HB1 ASP -3 4.339 14.346 4.331 634 H ASP -2 HN ASP -2 5.588 14.490 1.888 635 HA ASP -2 HA ASP -2 4.160 16.593 0.684 636 HB2 ASP -2 HB2 ASP -2 6.481 16.786 1.514 637 HB3 ASP -2 HB1 ASP -2 7.019 15.799 0.160 638 H ASP -1 HN ASP -1 5.675 13.726 -0.729 639 HA ASP -1 HA ASP -1 5.162 14.432 -3.441 640 HB2 ASP -1 HB2 ASP -1 6.723 12.566 -2.532 641 HB3 ASP -1 HB1 ASP -1 5.258 11.595 -2.437 642 H LYS 0 HN LYS 0 3.314 14.617 -4.394 643 HA LYS 0 HA LYS 0 0.961 13.892 -2.892 644 HB2 LYS 0 HB2 LYS 0 1.326 16.256 -3.511 645 HB3 LYS 0 HB1 LYS 0 1.293 15.793 -5.204 646 HG2 LYS 0 HG2 LYS 0 -1.051 15.110 -4.956 647 HG3 LYS 0 HG1 LYS 0 -0.997 15.587 -3.261 648 HD2 LYS 0 HD2 LYS 0 -0.479 17.881 -3.890 649 HD3 LYS 0 HD1 LYS 0 -0.474 17.430 -5.592 650 HE2 LYS 0 HE2 LYS 0 -2.845 17.237 -3.743 651 HE3 LYS 0 HE1 LYS 0 -2.565 18.543 -4.890 652 HZ1 LYS 0 HZ1 LYS 0 -4.074 16.950 -5.829 653 HZ2 LYS 0 HZ2 LYS 0 -3.035 15.685 -5.524 654 HZ3 LYS 0 HZ3 LYS 0 -2.628 16.833 -6.681 655 H GLY 1 HN GLY 1 1.287 11.816 -3.519 656 HA2 GLY 1 HA2 GLY 1 0.850 10.766 -6.095 657 HA3 GLY 1 HA1 GLY 1 0.536 9.923 -4.584 658 H ILE 2 HN ILE 2 -1.542 9.114 -4.661 659 HA ILE 2 HA ILE 2 -3.598 10.810 -5.906 660 HB ILE 2 HB ILE 2 -3.685 7.827 -5.317 661 HG12 ILE 2 HG12 ILE 2 -3.397 9.253 -7.975 662 HG13 ILE 2 HG11 ILE 2 -2.089 8.433 -7.129 663 HG21 ILE 2 HG21 ILE 2 -5.744 7.825 -6.670 664 HG22 ILE 2 HG22 ILE 2 -5.640 9.579 -6.820 665 HG23 ILE 2 HG23 ILE 2 -5.900 8.845 -5.239 666 HD11 ILE 2 HD11 ILE 2 -3.289 6.310 -7.365 667 HD12 ILE 2 HD12 ILE 2 -2.955 7.060 -8.925 668 HD13 ILE 2 HD13 ILE 2 -4.578 7.143 -8.236 669 H HIS 3 HN HIS 3 -4.936 11.846 -4.532 670 HA HIS 3 HA HIS 3 -5.017 10.941 -1.768 671 HB2 HIS 3 HB2 HIS 3 -5.848 13.557 -3.049 672 HB3 HIS 3 HB1 HIS 3 -6.244 13.151 -1.383 673 HD1 HIS 3 HD1 HIS 3 -4.631 14.237 0.229 674 HD2 HIS 3 HD2 HIS 3 -2.809 13.240 -3.385 675 HE1 HIS 3 HE1 HIS 3 -2.233 14.966 0.415 676 H SER 4 HN SER 4 -6.824 10.316 -0.759 677 HA SER 4 HA SER 4 -9.225 9.796 -2.420 678 HB2 SER 4 HB2 SER 4 -9.198 7.519 -1.368 679 HB3 SER 4 HB1 SER 4 -7.727 7.859 -2.281 680 HG SER 4 HG SER 4 -6.646 8.214 -0.486 681 H SER 5 HN SER 5 -10.459 8.296 -0.329 682 HA SER 5 HA SER 5 -10.273 9.523 2.145 683 HB2 SER 5 HB2 SER 5 -11.560 11.277 0.925 684 HB3 SER 5 HB1 SER 5 -12.831 10.074 0.647 685 HG SER 5 HG SER 5 -11.838 10.695 3.216 686 H VAL 6 HN VAL 6 -10.952 8.209 3.563 687 HA VAL 6 HA VAL 6 -11.991 5.612 2.762 688 HB VAL 6 HB VAL 6 -11.280 6.651 5.521 689 HG11 VAL 6 HG11 VAL 6 -12.804 4.762 5.600 690 HG12 VAL 6 HG12 VAL 6 -11.202 4.287 6.167 691 HG13 VAL 6 HG13 VAL 6 -11.738 3.830 4.547 692 HG21 VAL 6 HG21 VAL 6 -9.379 6.686 4.100 693 HG22 VAL 6 HG22 VAL 6 -9.724 5.037 3.560 694 HG23 VAL 6 HG23 VAL 6 -9.221 5.336 5.241 695 H LYS 7 HN LYS 7 -14.113 5.401 2.625 696 HA LYS 7 HA LYS 7 -15.685 7.212 4.290 697 HB2 LYS 7 HB2 LYS 7 -16.386 5.935 1.659 698 HB3 LYS 7 HB1 LYS 7 -17.529 6.898 2.639 699 HG2 LYS 7 HG2 LYS 7 -15.054 7.778 1.156 700 HG3 LYS 7 HG1 LYS 7 -16.722 8.190 0.789 701 HD2 LYS 7 HD2 LYS 7 -16.801 9.349 3.041 702 HD3 LYS 7 HD1 LYS 7 -15.057 9.098 3.138 703 HE2 LYS 7 HE2 LYS 7 -14.943 10.239 0.847 704 HE3 LYS 7 HE1 LYS 7 -16.599 10.749 1.148 705 HZ1 LYS 7 HZ1 LYS 7 -15.733 11.869 3.246 706 HZ2 LYS 7 HZ2 LYS 7 -15.122 12.494 1.828 707 HZ3 LYS 7 HZ3 LYS 7 -14.183 11.439 2.714 708 H ARG 8 HN ARG 8 -18.022 6.137 4.523 709 HA ARG 8 HA ARG 8 -17.406 3.670 5.957 710 HB2 ARG 8 HB2 ARG 8 -18.230 5.503 7.285 711 HB3 ARG 8 HB1 ARG 8 -19.683 5.606 6.294 712 HG2 ARG 8 HG2 ARG 8 -20.318 3.372 7.052 713 HG3 ARG 8 HG1 ARG 8 -18.854 3.303 8.034 714 HD2 ARG 8 HD2 ARG 8 -20.979 5.401 8.291 715 HD3 ARG 8 HD1 ARG 8 -20.877 3.951 9.296 716 HE ARG 8 HE ARG 8 -18.691 4.792 10.050 717 HH11 ARG 8 HH11 ARG 8 -20.850 7.222 8.598 718 HH12 ARG 8 HH12 ARG 8 -20.319 8.465 9.604 719 HH21 ARG 8 HH21 ARG 8 -17.958 6.501 11.369 720 HH22 ARG 8 HH22 ARG 8 -18.623 8.070 11.230 721 H TRP 9 HN TRP 9 -17.985 1.910 4.887 722 HA TRP 9 HA TRP 9 -20.409 1.878 3.206 723 HB2 TRP 9 HB2 TRP 9 -18.209 1.136 2.185 724 HB3 TRP 9 HB1 TRP 9 -18.128 -0.111 3.391 725 HD1 TRP 9 HD1 TRP 9 -21.587 0.169 1.930 726 HE1 TRP 9 HE1 TRP 9 -21.958 -1.678 0.223 727 HE3 TRP 9 HE3 TRP 9 -16.730 -1.719 1.389 728 HZ2 TRP 9 HZ2 TRP 9 -20.607 -3.639 -1.025 729 HZ3 TRP 9 HZ3 TRP 9 -16.473 -3.583 -0.055 730 HH2 TRP 9 HH2 TRP 9 -18.448 -4.523 -1.296 731 H GLY 10 HN GLY 10 -22.036 1.549 4.705 732 HA2 GLY 10 HA2 GLY 10 -23.322 0.282 6.109 733 HA3 GLY 10 HA1 GLY 10 -22.061 -0.960 6.114 734 H ASN 11 HN ASN 11 -21.224 -1.190 8.054 735 HA ASN 11 HA ASN 11 -20.608 1.272 9.560 736 HB2 ASN 11 HB2 ASN 11 -21.070 -1.553 10.556 737 HB3 ASN 11 HB1 ASN 11 -20.383 -0.288 11.563 738 HD21 ASN 11 HD21 ASN 11 -22.041 -0.372 13.007 739 HD22 ASN 11 HD22 ASN 11 -23.642 0.185 12.672 740 H SER 12 HN SER 12 -18.865 0.194 7.315 741 HA SER 12 HA SER 12 -16.599 -0.554 8.898 742 HB2 SER 12 HB2 SER 12 -17.521 -1.832 6.323 743 HB3 SER 12 HB1 SER 12 -16.016 -2.180 7.211 744 HG SER 12 HG SER 12 -18.659 -2.513 8.143 745 HA PRO 13 HA PRO 13 -14.756 2.629 6.337 746 HB2 PRO 13 HB2 PRO 13 -12.144 1.858 6.757 747 HB3 PRO 13 HB1 PRO 13 -13.068 2.862 7.873 748 HG2 PRO 13 HG2 PRO 13 -12.425 -0.035 8.017 749 HG3 PRO 13 HG1 PRO 13 -12.608 1.142 9.327 750 HD2 PRO 13 HD2 PRO 13 -14.548 -0.710 8.643 751 HD3 PRO 13 HD1 PRO 13 -14.902 0.834 9.427 752 H ALA 14 HN ALA 14 -14.759 2.566 4.195 753 HA ALA 14 HA ALA 14 -13.287 0.472 2.841 754 HB1 ALA 14 HB1 ALA 14 -15.080 0.265 1.212 755 HB2 ALA 14 HB2 ALA 14 -16.050 1.421 2.122 756 HB3 ALA 14 HB3 ALA 14 -15.660 -0.151 2.827 757 H VAL 15 HN VAL 15 -12.121 1.278 1.212 758 HA VAL 15 HA VAL 15 -12.530 4.103 0.536 759 HB VAL 15 HB VAL 15 -10.316 3.452 1.667 760 HG11 VAL 15 HG11 VAL 15 -9.953 1.324 0.538 761 HG12 VAL 15 HG12 VAL 15 -8.572 2.408 0.358 762 HG13 VAL 15 HG13 VAL 15 -9.693 2.178 -0.982 763 HG21 VAL 15 HG21 VAL 15 -10.520 5.549 0.455 764 HG22 VAL 15 HG22 VAL 15 -10.140 4.730 -1.061 765 HG23 VAL 15 HG23 VAL 15 -8.920 4.852 0.201 766 H ARG 16 HN ARG 16 -12.232 4.619 -1.708 767 HA ARG 16 HA ARG 16 -13.088 2.406 -3.387 768 HB2 ARG 16 HB2 ARG 16 -13.065 5.376 -3.804 769 HB3 ARG 16 HB1 ARG 16 -13.239 4.293 -5.187 770 HG2 ARG 16 HG2 ARG 16 -15.426 4.956 -4.638 771 HG3 ARG 16 HG1 ARG 16 -15.206 3.393 -3.796 772 HD2 ARG 16 HD2 ARG 16 -16.351 5.125 -2.560 773 HD3 ARG 16 HD1 ARG 16 -14.967 4.376 -1.783 774 HE ARG 16 HE ARG 16 -13.686 6.416 -2.383 775 HH11 ARG 16 HH11 ARG 16 -17.214 6.730 -2.535 776 HH12 ARG 16 HH12 ARG 16 -17.233 8.388 -2.204 777 HH21 ARG 16 HH21 ARG 16 -13.697 8.725 -2.055 778 HH22 ARG 16 HH22 ARG 16 -15.161 9.577 -1.983 779 H ILE 17 HN ILE 17 -11.717 1.384 -4.605 780 HA ILE 17 HA ILE 17 -9.012 2.404 -4.782 781 HB ILE 17 HB ILE 17 -10.203 -0.320 -5.417 782 HG12 ILE 17 HG12 ILE 17 -8.218 -1.058 -3.946 783 HG13 ILE 17 HG11 ILE 17 -8.125 0.630 -3.477 784 HG21 ILE 17 HG21 ILE 17 -8.636 0.180 -7.214 785 HG22 ILE 17 HG22 ILE 17 -8.079 -1.119 -6.137 786 HG23 ILE 17 HG23 ILE 17 -7.376 0.499 -6.001 787 HD11 ILE 17 HD11 ILE 17 -9.312 -0.793 -1.948 788 HD12 ILE 17 HD12 ILE 17 -10.507 -1.112 -3.219 789 HD13 ILE 17 HD13 ILE 17 -10.291 0.542 -2.561 790 HA PRO 18 HA PRO 18 -9.778 4.162 -8.787 791 HB2 PRO 18 HB2 PRO 18 -7.132 4.121 -9.676 792 HB3 PRO 18 HB1 PRO 18 -7.872 5.402 -8.714 793 HG2 PRO 18 HG2 PRO 18 -6.150 3.141 -7.816 794 HG3 PRO 18 HG1 PRO 18 -6.196 4.815 -7.241 795 HD2 PRO 18 HD2 PRO 18 -7.310 2.797 -5.867 796 HD3 PRO 18 HD1 PRO 18 -8.024 4.425 -5.875 797 H ALA 19 HN ALA 19 -10.559 3.117 -10.433 798 HA ALA 19 HA ALA 19 -10.179 0.362 -10.930 799 HB1 ALA 19 HB1 ALA 19 -11.379 2.450 -12.749 800 HB2 ALA 19 HB2 ALA 19 -12.249 1.545 -11.513 801 HB3 ALA 19 HB3 ALA 19 -11.575 0.706 -12.912 802 H THR 20 HN THR 20 -8.625 3.187 -12.111 803 HA THR 20 HA THR 20 -7.333 2.269 -14.385 804 HB THR 20 HB THR 20 -6.239 4.188 -12.316 805 HG1 THR 20 HG1 THR 20 -7.809 5.164 -14.387 806 HG21 THR 20 HG21 THR 20 -4.802 3.655 -14.278 807 HG22 THR 20 HG22 THR 20 -5.331 5.340 -14.244 808 HG23 THR 20 HG23 THR 20 -6.111 4.196 -15.338 809 H LEU 21 HN LEU 21 -6.526 1.980 -10.922 810 HA LEU 21 HA LEU 21 -3.943 0.788 -11.411 811 HB2 LEU 21 HB2 LEU 21 -5.491 1.538 -8.996 812 HB3 LEU 21 HB1 LEU 21 -4.176 0.396 -8.838 813 HG LEU 21 HG LEU 21 -3.684 2.723 -8.316 814 HD11 LEU 21 HD11 LEU 21 -1.850 1.175 -8.827 815 HD12 LEU 21 HD12 LEU 21 -1.466 2.711 -9.605 816 HD13 LEU 21 HD13 LEU 21 -2.114 1.379 -10.553 817 HD21 LEU 21 HD21 LEU 21 -3.923 3.029 -11.261 818 HD22 LEU 21 HD22 LEU 21 -3.140 4.248 -10.235 819 HD23 LEU 21 HD23 LEU 21 -4.872 3.888 -10.048 820 H MET 22 HN MET 22 -7.048 -0.137 -10.468 821 HA MET 22 HA MET 22 -6.737 -2.840 -9.862 822 HB2 MET 22 HB2 MET 22 -8.912 -1.591 -11.549 823 HB3 MET 22 HB1 MET 22 -8.991 -3.233 -10.952 824 HG2 MET 22 HG2 MET 22 -8.810 -0.791 -9.202 825 HG3 MET 22 HG1 MET 22 -10.319 -1.576 -9.664 826 HE1 MET 22 HE1 MET 22 -11.088 -3.901 -8.931 827 HE2 MET 22 HE2 MET 22 -10.090 -5.034 -8.005 828 HE3 MET 22 HE3 MET 22 -9.624 -4.572 -9.644 829 H GLN 23 HN GLN 23 -7.250 -1.486 -12.985 830 HA GLN 23 HA GLN 23 -6.699 -3.756 -14.545 831 HB2 GLN 23 HB2 GLN 23 -6.372 -0.838 -15.161 832 HB3 GLN 23 HB1 GLN 23 -6.254 -2.135 -16.345 833 HG2 GLN 23 HG2 GLN 23 -8.478 -2.791 -15.906 834 HG3 GLN 23 HG1 GLN 23 -8.649 -1.592 -14.634 835 HE21 GLN 23 HE21 GLN 23 -8.900 0.515 -15.142 836 HE22 GLN 23 HE22 GLN 23 -9.223 1.108 -16.732 837 H ALA 24 HN ALA 24 -4.646 -1.323 -13.157 838 HA ALA 24 HA ALA 24 -2.353 -1.889 -14.795 839 HB1 ALA 24 HB1 ALA 24 -2.689 0.304 -13.701 840 HB2 ALA 24 HB2 ALA 24 -1.107 -0.397 -13.362 841 HB3 ALA 24 HB3 ALA 24 -2.375 -0.459 -12.139 842 H LEU 25 HN LEU 25 -3.407 -3.000 -11.685 843 HA LEU 25 HA LEU 25 -0.975 -4.601 -11.426 844 HB2 LEU 25 HB2 LEU 25 -3.118 -3.932 -9.450 845 HB3 LEU 25 HB1 LEU 25 -1.774 -5.012 -9.110 846 HG LEU 25 HG LEU 25 -1.465 -2.116 -9.905 847 HD11 LEU 25 HD11 LEU 25 -1.368 -3.452 -7.229 848 HD12 LEU 25 HD12 LEU 25 -2.587 -2.305 -7.792 849 HD13 LEU 25 HD13 LEU 25 -0.907 -1.785 -7.564 850 HD21 LEU 25 HD21 LEU 25 0.498 -4.049 -8.695 851 HD22 LEU 25 HD22 LEU 25 0.819 -2.393 -9.200 852 HD23 LEU 25 HD23 LEU 25 0.456 -3.627 -10.402 853 H ASN 26 HN ASN 26 -3.884 -4.898 -12.732 854 HA ASN 26 HA ASN 26 -5.033 -6.543 -13.674 855 HB2 ASN 26 HB2 ASN 26 -2.712 -8.300 -12.883 856 HB3 ASN 26 HB1 ASN 26 -4.045 -8.835 -13.902 857 HD21 ASN 26 HD21 ASN 26 -1.132 -7.075 -13.735 858 HD22 ASN 26 HD22 ASN 26 -1.045 -6.594 -15.386 859 H LEU 27 HN LEU 27 -5.818 -5.885 -11.045 860 HA LEU 27 HA LEU 27 -6.897 -8.453 -10.271 861 HB2 LEU 27 HB2 LEU 27 -7.502 -7.413 -8.195 862 HB3 LEU 27 HB1 LEU 27 -5.767 -7.556 -8.407 863 HG LEU 27 HG LEU 27 -7.107 -4.954 -9.032 864 HD11 LEU 27 HD11 LEU 27 -6.395 -5.951 -6.285 865 HD12 LEU 27 HD12 LEU 27 -8.023 -5.804 -6.957 866 HD13 LEU 27 HD13 LEU 27 -7.052 -4.344 -6.712 867 HD21 LEU 27 HD21 LEU 27 -4.476 -5.740 -7.760 868 HD22 LEU 27 HD22 LEU 27 -4.988 -4.100 -8.152 869 HD23 LEU 27 HD23 LEU 27 -4.713 -5.275 -9.439 870 H ASN 28 HN ASN 28 -9.069 -8.396 -9.524 871 HA ASN 28 HA ASN 28 -10.776 -6.405 -10.854 872 HB2 ASN 28 HB2 ASN 28 -12.333 -8.273 -11.536 873 HB3 ASN 28 HB1 ASN 28 -10.870 -8.169 -12.469 874 HD21 ASN 28 HD21 ASN 28 -11.310 -9.710 -9.218 875 HD22 ASN 28 HD22 ASN 28 -10.935 -11.284 -9.799 876 H ILE 29 HN ILE 29 -13.214 -7.101 -10.276 877 HA ILE 29 HA ILE 29 -13.521 -6.716 -7.498 878 HB ILE 29 HB ILE 29 -15.393 -7.492 -9.716 879 HG12 ILE 29 HG12 ILE 29 -14.638 -5.146 -9.767 880 HG13 ILE 29 HG11 ILE 29 -16.354 -5.231 -9.402 881 HG21 ILE 29 HG21 ILE 29 -16.230 -6.906 -6.859 882 HG22 ILE 29 HG22 ILE 29 -16.279 -8.484 -7.639 883 HG23 ILE 29 HG23 ILE 29 -17.327 -7.190 -8.221 884 HD11 ILE 29 HD11 ILE 29 -15.824 -4.856 -7.042 885 HD12 ILE 29 HD12 ILE 29 -15.270 -3.561 -8.102 886 HD13 ILE 29 HD13 ILE 29 -14.110 -4.730 -7.469 887 H ASP 30 HN ASP 30 -14.004 -8.100 -5.875 888 HA ASP 30 HA ASP 30 -14.323 -9.883 -4.630 889 HB2 ASP 30 HB2 ASP 30 -16.055 -10.593 -6.345 890 HB3 ASP 30 HB1 ASP 30 -14.811 -11.547 -7.131 891 H ASP 31 HN ASP 31 -11.782 -9.168 -6.164 892 HA ASP 31 HA ASP 31 -10.346 -11.667 -6.170 893 HB2 ASP 31 HB2 ASP 31 -10.104 -9.551 -7.673 894 HB3 ASP 31 HB1 ASP 31 -9.073 -8.957 -6.375 895 H GLU 32 HN GLU 32 -8.279 -11.512 -4.945 896 HA GLU 32 HA GLU 32 -8.926 -10.672 -2.221 897 HB2 GLU 32 HB2 GLU 32 -9.072 -13.006 -2.445 898 HB3 GLU 32 HB1 GLU 32 -7.568 -13.137 -3.321 899 HG2 GLU 32 HG2 GLU 32 -6.445 -12.328 -1.263 900 HG3 GLU 32 HG1 GLU 32 -8.018 -12.390 -0.464 901 H VAL 33 HN VAL 33 -7.432 -9.302 -1.285 902 HA VAL 33 HA VAL 33 -4.861 -9.286 -2.598 903 HB VAL 33 HB VAL 33 -4.600 -6.969 -2.670 904 HG11 VAL 33 HG11 VAL 33 -6.333 -7.579 -4.216 905 HG12 VAL 33 HG12 VAL 33 -6.621 -5.949 -3.553 906 HG13 VAL 33 HG13 VAL 33 -7.521 -7.332 -2.925 907 HG21 VAL 33 HG21 VAL 33 -5.054 -6.435 -0.334 908 HG22 VAL 33 HG22 VAL 33 -6.788 -6.603 -0.625 909 HG23 VAL 33 HG23 VAL 33 -5.886 -5.303 -1.401 910 H LYS 34 HN LYS 34 -2.997 -8.693 -1.258 911 HA LYS 34 HA LYS 34 -3.509 -9.438 1.508 912 HB2 LYS 34 HB2 LYS 34 -2.027 -10.780 -0.072 913 HB3 LYS 34 HB1 LYS 34 -0.909 -9.435 0.022 914 HG2 LYS 34 HG2 LYS 34 -0.523 -9.840 2.325 915 HG3 LYS 34 HG1 LYS 34 -1.880 -10.975 2.394 916 HD2 LYS 34 HD2 LYS 34 0.248 -12.175 2.297 917 HD3 LYS 34 HD1 LYS 34 -0.731 -12.487 0.867 918 HE2 LYS 34 HE2 LYS 34 1.526 -12.177 0.159 919 HE3 LYS 34 HE1 LYS 34 0.633 -10.745 -0.332 920 HZ1 LYS 34 HZ1 LYS 34 2.372 -11.010 2.038 921 HZ2 LYS 34 HZ2 LYS 34 1.539 -9.610 1.691 922 HZ3 LYS 34 HZ3 LYS 34 2.780 -10.179 0.650 923 H ILE 35 HN ILE 35 -3.462 -7.854 2.863 924 HA ILE 35 HA ILE 35 -2.071 -5.359 2.274 925 HB ILE 35 HB ILE 35 -3.947 -6.005 4.589 926 HG12 ILE 35 HG12 ILE 35 -5.450 -4.243 3.418 927 HG13 ILE 35 HG11 ILE 35 -4.486 -4.581 1.989 928 HG21 ILE 35 HG21 ILE 35 -2.770 -3.373 3.761 929 HG22 ILE 35 HG22 ILE 35 -2.362 -4.323 5.188 930 HG23 ILE 35 HG23 ILE 35 -3.970 -3.610 5.036 931 HD11 ILE 35 HD11 ILE 35 -5.177 -6.908 2.069 932 HD12 ILE 35 HD12 ILE 35 -6.582 -5.847 2.017 933 HD13 ILE 35 HD13 ILE 35 -6.090 -6.590 3.534 934 H ASP 36 HN ASP 36 -0.090 -5.293 2.968 935 HA ASP 36 HA ASP 36 0.648 -6.834 5.356 936 HB2 ASP 36 HB2 ASP 36 2.064 -6.260 2.798 937 HB3 ASP 36 HB1 ASP 36 3.051 -6.551 4.238 938 H LEU 37 HN LEU 37 1.409 -5.684 7.127 939 HA LEU 37 HA LEU 37 1.713 -2.917 6.762 940 HB2 LEU 37 HB2 LEU 37 0.319 -4.019 8.598 941 HB3 LEU 37 HB1 LEU 37 1.853 -4.683 9.137 942 HG LEU 37 HG LEU 37 0.926 -2.716 10.436 943 HD11 LEU 37 HD11 LEU 37 3.689 -2.587 9.333 944 HD12 LEU 37 HD12 LEU 37 3.149 -3.544 10.705 945 HD13 LEU 37 HD13 LEU 37 3.143 -1.767 10.812 946 HD21 LEU 37 HD21 LEU 37 2.039 -1.204 8.115 947 HD22 LEU 37 HD22 LEU 37 1.289 -0.519 9.576 948 HD23 LEU 37 HD23 LEU 37 0.333 -1.483 8.424 949 H VAL 38 HN VAL 38 3.584 -2.154 6.713 950 HA VAL 38 HA VAL 38 5.977 -3.672 7.497 951 HB VAL 38 HB VAL 38 5.720 -2.478 4.708 952 HG11 VAL 38 HG11 VAL 38 7.905 -3.463 4.254 953 HG12 VAL 38 HG12 VAL 38 7.992 -4.020 5.925 954 HG13 VAL 38 HG13 VAL 38 7.975 -2.293 5.576 955 HG21 VAL 38 HG21 VAL 38 5.888 -5.392 5.501 956 HG22 VAL 38 HG22 VAL 38 5.897 -4.776 3.849 957 HG23 VAL 38 HG23 VAL 38 4.463 -4.574 4.858 958 H ASP 39 HN ASP 39 6.864 -2.278 8.906 959 HA ASP 39 HA ASP 39 7.923 -0.466 9.769 960 HB2 ASP 39 HB2 ASP 39 8.122 0.246 6.846 961 HB3 ASP 39 HB1 ASP 39 8.755 1.310 8.091 962 H GLY 40 HN GLY 40 5.094 -0.470 9.630 963 HA2 GLY 40 HA2 GLY 40 3.421 0.979 10.326 964 HA3 GLY 40 HA1 GLY 40 4.616 2.271 10.319 965 H LYS 41 HN LYS 41 4.298 0.449 7.438 966 HA LYS 41 HA LYS 41 2.659 2.558 6.218 967 HB2 LYS 41 HB2 LYS 41 5.195 2.219 5.636 968 HB3 LYS 41 HB1 LYS 41 4.616 0.816 4.765 969 HG2 LYS 41 HG2 LYS 41 4.661 2.424 3.111 970 HG3 LYS 41 HG1 LYS 41 2.974 2.465 3.643 971 HD2 LYS 41 HD2 LYS 41 3.640 4.743 3.514 972 HD3 LYS 41 HD1 LYS 41 3.692 4.301 5.234 973 HE2 LYS 41 HE2 LYS 41 6.131 3.923 5.052 974 HE3 LYS 41 HE1 LYS 41 6.057 4.375 3.360 975 HZ1 LYS 41 HZ1 LYS 41 5.481 6.117 5.675 976 HZ2 LYS 41 HZ2 LYS 41 5.233 6.578 4.104 977 HZ3 LYS 41 HZ3 LYS 41 6.816 6.244 4.647 978 H LEU 42 HN LEU 42 0.994 1.723 4.934 979 HA LEU 42 HA LEU 42 0.686 -1.150 5.083 980 HB2 LEU 42 HB2 LEU 42 -1.250 1.034 4.450 981 HB3 LEU 42 HB1 LEU 42 -1.606 -0.637 4.006 982 HG LEU 42 HG LEU 42 -0.977 0.341 6.742 983 HD11 LEU 42 HD11 LEU 42 -3.657 -0.320 5.447 984 HD12 LEU 42 HD12 LEU 42 -3.117 1.290 5.928 985 HD13 LEU 42 HD13 LEU 42 -3.438 0.067 7.154 986 HD21 LEU 42 HD21 LEU 42 -2.056 -2.283 5.751 987 HD22 LEU 42 HD22 LEU 42 -1.979 -1.825 7.443 988 HD23 LEU 42 HD23 LEU 42 -0.492 -2.009 6.518 989 H ILE 43 HN ILE 43 1.213 -2.327 3.655 990 HA ILE 43 HA ILE 43 1.821 -1.245 0.995 991 HB ILE 43 HB ILE 43 2.851 -3.725 2.351 992 HG12 ILE 43 HG12 ILE 43 3.598 -1.771 3.492 993 HG13 ILE 43 HG11 ILE 43 4.960 -2.553 2.673 994 HG21 ILE 43 HG21 ILE 43 4.541 -3.805 0.579 995 HG22 ILE 43 HG22 ILE 43 3.767 -2.428 -0.209 996 HG23 ILE 43 HG23 ILE 43 2.901 -3.958 -0.051 997 HD11 ILE 43 HD11 ILE 43 4.841 -0.831 0.946 998 HD12 ILE 43 HD12 ILE 43 5.083 -0.122 2.547 999 HD13 ILE 43 HD13 ILE 43 3.492 -0.070 1.790 1000 H ILE 44 HN ILE 44 0.581 -1.873 -0.528 1001 HA ILE 44 HA ILE 44 -1.274 -4.101 -0.090 1002 HB ILE 44 HB ILE 44 -1.350 -1.906 -2.154 1003 HG12 ILE 44 HG12 ILE 44 -1.819 -1.050 0.075 1004 HG13 ILE 44 HG11 ILE 44 -3.283 -1.027 -0.901 1005 HG21 ILE 44 HG21 ILE 44 -2.404 -4.018 -2.943 1006 HG22 ILE 44 HG22 ILE 44 -3.550 -2.699 -2.792 1007 HG23 ILE 44 HG23 ILE 44 -3.500 -3.955 -1.558 1008 HD11 ILE 44 HD11 ILE 44 -3.760 -1.730 1.366 1009 HD12 ILE 44 HD12 ILE 44 -2.583 -3.033 1.239 1010 HD13 ILE 44 HD13 ILE 44 -4.044 -3.064 0.248 1011 H GLU 45 HN GLU 45 -0.704 -5.928 -0.865 1012 HA GLU 45 HA GLU 45 0.839 -6.128 -3.365 1013 HB2 GLU 45 HB2 GLU 45 2.005 -6.874 -1.279 1014 HB3 GLU 45 HB1 GLU 45 0.655 -7.924 -0.907 1015 HG2 GLU 45 HG2 GLU 45 2.385 -9.293 -1.712 1016 HG3 GLU 45 HG1 GLU 45 1.212 -9.186 -3.017 1017 HA PRO 46 HA PRO 46 -2.967 -8.212 -4.152 1018 HB2 PRO 46 HB2 PRO 46 -2.312 -9.075 -6.758 1019 HB3 PRO 46 HB1 PRO 46 -3.207 -7.625 -6.311 1020 HG2 PRO 46 HG2 PRO 46 -0.773 -7.777 -7.448 1021 HG3 PRO 46 HG1 PRO 46 -1.431 -6.309 -6.674 1022 HD2 PRO 46 HD2 PRO 46 0.491 -8.354 -5.586 1023 HD3 PRO 46 HD1 PRO 46 0.530 -6.643 -5.204 1024 H VAL 47 HN VAL 47 -3.637 -10.370 -4.751 1025 HA VAL 47 HA VAL 47 -1.567 -12.269 -3.906 1026 HB VAL 47 HB VAL 47 -4.550 -12.834 -3.965 1027 HG11 VAL 47 HG11 VAL 47 -2.241 -14.193 -2.711 1028 HG12 VAL 47 HG12 VAL 47 -3.069 -14.800 -4.174 1029 HG13 VAL 47 HG13 VAL 47 -3.908 -14.750 -2.590 1030 HG21 VAL 47 HG21 VAL 47 -4.327 -12.772 -1.478 1031 HG22 VAL 47 HG22 VAL 47 -4.110 -11.213 -2.285 1032 HG23 VAL 47 HG23 VAL 47 -2.695 -12.176 -1.762 1033 H ARG 48 HN ARG 48 -0.615 -13.154 -5.377 1034 HA ARG 48 HA ARG 48 -1.616 -12.825 -7.994 1035 HB2 ARG 48 HB2 ARG 48 0.556 -13.608 -8.778 1036 HB3 ARG 48 HB1 ARG 48 0.629 -12.231 -7.693 1037 HG2 ARG 48 HG2 ARG 48 1.366 -13.652 -5.887 1038 HG3 ARG 48 HG1 ARG 48 1.173 -15.083 -6.903 1039 HD2 ARG 48 HD2 ARG 48 3.502 -14.370 -6.812 1040 HD3 ARG 48 HD1 ARG 48 2.820 -14.239 -8.436 1041 HE ARG 48 HE ARG 48 3.224 -11.975 -6.605 1042 HH11 ARG 48 HH11 ARG 48 2.846 -13.211 -9.908 1043 HH12 ARG 48 HH12 ARG 48 3.473 -11.819 -10.654 1044 HH21 ARG 48 HH21 ARG 48 4.107 -10.026 -7.653 1045 HH22 ARG 48 HH22 ARG 48 4.215 -9.948 -9.337 1046 H LYS 49 HN LYS 49 -2.288 -14.106 -9.352 1047 HA LYS 49 HA LYS 49 -1.966 -16.918 -9.083 1048 HB2 LYS 49 HB2 LYS 49 -4.484 -16.870 -10.023 1049 HB3 LYS 49 HB1 LYS 49 -4.095 -17.018 -8.309 1050 HG2 LYS 49 HG2 LYS 49 -5.904 -15.437 -8.581 1051 HG3 LYS 49 HG1 LYS 49 -4.464 -14.564 -8.075 1052 HD2 LYS 49 HD2 LYS 49 -4.081 -13.985 -10.466 1053 HD3 LYS 49 HD1 LYS 49 -5.631 -14.708 -10.854 1054 HE2 LYS 49 HE2 LYS 49 -5.133 -12.396 -8.978 1055 HE3 LYS 49 HE1 LYS 49 -5.784 -12.258 -10.609 1056 HZ1 LYS 49 HZ1 LYS 49 -7.493 -12.109 -8.927 1057 HZ2 LYS 49 HZ2 LYS 49 -7.123 -13.618 -8.313 1058 HZ3 LYS 49 HZ3 LYS 49 -7.765 -13.466 -9.872 1059 H GLU 50 HN GLU 50 -0.581 -17.010 -10.722 1060 HA GLU 50 HA GLU 50 -1.369 -15.881 -13.290 1061 HB2 GLU 50 HB2 GLU 50 1.272 -17.019 -12.328 1062 HB3 GLU 50 HB1 GLU 50 0.942 -16.775 -14.024 1063 HG2 GLU 50 HG2 GLU 50 2.271 -14.946 -13.179 1064 HG3 GLU 50 HG1 GLU 50 0.677 -14.368 -13.632 Start of MODEL 2 1 H1 ASN -16 HT1 ASN -16 -9.168 -24.535 -4.925 2 H2 ASN -16 HT2 ASN -16 -9.795 -25.302 -3.560 3 H3 ASN -16 HT3 ASN -16 -8.194 -24.800 -3.585 4 HA ASN -16 HA ASN -16 -8.750 -22.539 -3.664 5 HB2 ASN -16 HB2 ASN -16 -10.862 -22.695 -4.906 6 HB3 ASN -16 HB1 ASN -16 -11.630 -23.495 -3.540 7 HD21 ASN -16 HD21 ASN -16 -10.372 -20.450 -4.765 8 HD22 ASN -16 HD22 ASN -16 -11.187 -19.462 -3.616 9 H HIS -15 HN HIS -15 -10.631 -24.916 -1.765 10 HA HIS -15 HA HIS -15 -9.758 -23.569 0.668 11 HB2 HIS -15 HB2 HIS -15 -11.551 -25.996 0.251 12 HB3 HIS -15 HB1 HIS -15 -11.180 -25.269 1.807 13 HD1 HIS -15 HD1 HIS -15 -12.691 -23.360 2.546 14 HD2 HIS -15 HD2 HIS -15 -13.198 -24.388 -1.442 15 HE1 HIS -15 HE1 HIS -15 -14.733 -22.133 1.765 16 H LYS -14 HN LYS -14 -8.312 -24.644 2.067 17 HA LYS -14 HA LYS -14 -6.726 -26.586 0.673 18 HB2 LYS -14 HB2 LYS -14 -6.362 -25.385 3.423 19 HB3 LYS -14 HB1 LYS -14 -5.229 -26.500 2.662 20 HG2 LYS -14 HG2 LYS -14 -4.990 -24.865 0.791 21 HG3 LYS -14 HG1 LYS -14 -5.982 -23.749 1.719 22 HD2 LYS -14 HD2 LYS -14 -4.340 -23.773 3.520 23 HD3 LYS -14 HD1 LYS -14 -3.350 -24.922 2.615 24 HE2 LYS -14 HE2 LYS -14 -2.420 -22.747 2.275 25 HE3 LYS -14 HE1 LYS -14 -3.213 -23.221 0.774 26 HZ1 LYS -14 HZ1 LYS -14 -3.777 -20.952 1.271 27 HZ2 LYS -14 HZ2 LYS -14 -4.164 -21.356 2.838 28 HZ3 LYS -14 HZ3 LYS -14 -5.167 -21.881 1.570 29 H VAL -13 HN VAL -13 -7.051 -28.607 0.666 30 HA VAL -13 HA VAL -13 -9.167 -29.821 1.980 31 HB VAL -13 HB VAL -13 -8.313 -30.624 -0.177 32 HG11 VAL -13 HG11 VAL -13 -5.940 -30.304 0.130 33 HG12 VAL -13 HG12 VAL -13 -6.277 -31.974 -0.337 34 HG13 VAL -13 HG13 VAL -13 -5.903 -31.585 1.340 35 HG21 VAL -13 HG21 VAL -13 -9.594 -32.175 1.278 36 HG22 VAL -13 HG22 VAL -13 -8.067 -32.815 1.888 37 HG23 VAL -13 HG23 VAL -13 -8.486 -32.995 0.188 38 H HIS -12 HN HIS -12 -9.391 -30.926 3.793 39 HA HIS -12 HA HIS -12 -7.171 -30.979 5.622 40 HB2 HIS -12 HB2 HIS -12 -10.070 -31.750 5.965 41 HB3 HIS -12 HB1 HIS -12 -8.875 -31.876 7.257 42 HD1 HIS -12 HD1 HIS -12 -8.119 -29.661 8.366 43 HD2 HIS -12 HD2 HIS -12 -10.901 -29.171 5.322 44 HE1 HIS -12 HE1 HIS -12 -8.882 -27.268 8.498 45 H HIS -11 HN HIS -11 -5.814 -32.402 5.019 46 HA HIS -11 HA HIS -11 -6.498 -35.213 5.041 47 HB2 HIS -11 HB2 HIS -11 -6.748 -34.488 2.673 48 HB3 HIS -11 HB1 HIS -11 -5.159 -33.756 2.724 49 HD1 HIS -11 HD1 HIS -11 -3.902 -35.154 1.040 50 HD2 HIS -11 HD2 HIS -11 -6.082 -37.471 3.717 51 HE1 HIS -11 HE1 HIS -11 -3.300 -37.545 0.550 52 H HIS -10 HN HIS -10 -4.441 -36.430 5.237 53 HA HIS -10 HA HIS -10 -2.671 -35.458 7.142 54 HB2 HIS -10 HB2 HIS -10 -2.125 -37.598 5.080 55 HB3 HIS -10 HB1 HIS -10 -1.228 -37.354 6.572 56 HD1 HIS -10 HD1 HIS -10 -2.239 -38.369 8.713 57 HD2 HIS -10 HD2 HIS -10 -4.690 -38.681 5.383 58 HE1 HIS -10 HE1 HIS -10 -4.086 -39.957 9.343 59 H HIS -9 HN HIS -9 -2.485 -35.353 3.674 60 HA HIS -9 HA HIS -9 0.085 -33.973 3.790 61 HB2 HIS -9 HB2 HIS -9 -1.540 -34.827 1.358 62 HB3 HIS -9 HB1 HIS -9 0.082 -34.148 1.325 63 HD1 HIS -9 HD1 HIS -9 2.031 -35.822 1.643 64 HD2 HIS -9 HD2 HIS -9 -1.714 -37.488 2.287 65 HE1 HIS -9 HE1 HIS -9 2.391 -38.312 1.813 66 H HIS -8 HN HIS -8 -0.418 -31.985 4.552 67 HA HIS -8 HA HIS -8 -2.397 -30.405 3.052 68 HB2 HIS -8 HB2 HIS -8 -3.271 -31.096 5.281 69 HB3 HIS -8 HB1 HIS -8 -1.873 -30.361 6.040 70 HD1 HIS -8 HD1 HIS -8 -5.215 -29.510 4.521 71 HD2 HIS -8 HD2 HIS -8 -1.957 -27.570 6.248 72 HE1 HIS -8 HE1 HIS -8 -5.986 -27.197 5.069 73 H HIS -7 HN HIS -7 -1.567 -28.556 2.270 74 HA HIS -7 HA HIS -7 1.107 -27.790 3.179 75 HB2 HIS -7 HB2 HIS -7 -0.303 -27.147 0.575 76 HB3 HIS -7 HB1 HIS -7 1.321 -26.627 1.004 77 HD1 HIS -7 HD1 HIS -7 -0.262 -29.119 -0.973 78 HD2 HIS -7 HD2 HIS -7 2.953 -29.123 1.660 79 HE1 HIS -7 HE1 HIS -7 1.104 -31.146 -1.546 80 H MET -6 HN MET -6 1.154 -26.130 4.478 81 HA MET -6 HA MET -6 -1.125 -24.329 4.464 82 HB2 MET -6 HB2 MET -6 -0.388 -23.593 6.732 83 HB3 MET -6 HB1 MET -6 -0.802 -25.296 6.637 84 HG2 MET -6 HG2 MET -6 1.564 -25.888 6.588 85 HG3 MET -6 HG1 MET -6 1.999 -24.182 6.607 86 HE1 MET -6 HE1 MET -6 3.201 -26.308 8.643 87 HE2 MET -6 HE2 MET -6 3.110 -25.404 10.156 88 HE3 MET -6 HE3 MET -6 3.612 -24.589 8.671 89 H SER -5 HN SER -5 -0.341 -23.304 2.552 90 HA SER -5 HA SER -5 1.996 -21.811 2.366 91 HB2 SER -5 HB2 SER -5 -0.666 -21.156 1.111 92 HB3 SER -5 HB1 SER -5 0.947 -20.833 0.465 93 HG SER -5 HG SER -5 1.175 -22.865 -0.096 94 H ASP -4 HN ASP -4 -0.878 -21.237 4.160 95 HA ASP -4 HA ASP -4 -0.932 -18.413 4.289 96 HB2 ASP -4 HB2 ASP -4 -1.985 -20.409 6.303 97 HB3 ASP -4 HB1 ASP -4 -2.432 -18.715 6.191 98 H ASP -3 HN ASP -3 1.136 -20.657 5.660 99 HA ASP -3 HA ASP -3 1.769 -19.103 8.024 100 HB2 ASP -3 HB2 ASP -3 1.902 -21.532 8.201 101 HB3 ASP -3 HB1 ASP -3 3.089 -21.592 6.907 102 H ASP -2 HN ASP -2 2.886 -19.344 4.777 103 HA ASP -2 HA ASP -2 5.468 -18.147 5.362 104 HB2 ASP -2 HB2 ASP -2 5.383 -19.712 3.493 105 HB3 ASP -2 HB1 ASP -2 4.137 -18.746 2.707 106 H ASP -1 HN ASP -1 2.334 -17.121 4.569 107 HA ASP -1 HA ASP -1 3.290 -14.491 3.722 108 HB2 ASP -1 HB2 ASP -1 1.484 -15.821 2.475 109 HB3 ASP -1 HB1 ASP -1 0.424 -15.416 3.821 110 H LYS 0 HN LYS 0 2.919 -12.671 4.978 111 HA LYS 0 HA LYS 0 1.758 -13.180 7.653 112 HB2 LYS 0 HB2 LYS 0 3.129 -11.414 8.540 113 HB3 LYS 0 HB1 LYS 0 4.172 -12.495 7.629 114 HG2 LYS 0 HG2 LYS 0 4.351 -10.961 5.837 115 HG3 LYS 0 HG1 LYS 0 3.044 -9.961 6.465 116 HD2 LYS 0 HD2 LYS 0 4.512 -9.541 8.480 117 HD3 LYS 0 HD1 LYS 0 5.810 -10.339 7.581 118 HE2 LYS 0 HE2 LYS 0 5.638 -8.727 5.809 119 HE3 LYS 0 HE1 LYS 0 4.262 -7.956 6.586 120 HZ1 LYS 0 HZ1 LYS 0 5.804 -7.452 8.481 121 HZ2 LYS 0 HZ2 LYS 0 6.111 -6.656 7.047 122 HZ3 LYS 0 HZ3 LYS 0 7.089 -7.955 7.491 123 H GLY 1 HN GLY 1 0.747 -12.014 4.816 124 HA2 GLY 1 HA2 GLY 1 -0.055 -9.423 5.681 125 HA3 GLY 1 HA1 GLY 1 -0.222 -10.135 4.077 126 H ILE 2 HN ILE 2 -2.031 -8.865 5.677 127 HA ILE 2 HA ILE 2 -3.967 -10.766 6.660 128 HB ILE 2 HB ILE 2 -4.326 -7.819 6.015 129 HG12 ILE 2 HG12 ILE 2 -3.794 -9.160 8.679 130 HG13 ILE 2 HG11 ILE 2 -2.623 -8.221 7.763 131 HG21 ILE 2 HG21 ILE 2 -6.323 -7.941 7.446 132 HG22 ILE 2 HG22 ILE 2 -6.072 -9.673 7.638 133 HG23 ILE 2 HG23 ILE 2 -6.458 -9.012 6.048 134 HD11 ILE 2 HD11 ILE 2 -4.015 -6.225 8.045 135 HD12 ILE 2 HD12 ILE 2 -3.553 -6.925 9.598 136 HD13 ILE 2 HD13 ILE 2 -5.179 -7.179 8.966 137 H HIS 3 HN HIS 3 -4.883 -12.066 5.185 138 HA HIS 3 HA HIS 3 -5.243 -11.184 2.516 139 HB2 HIS 3 HB2 HIS 3 -6.480 -13.355 2.139 140 HB3 HIS 3 HB1 HIS 3 -4.854 -13.545 2.755 141 HD1 HIS 3 HD1 HIS 3 -4.691 -15.294 4.550 142 HD2 HIS 3 HD2 HIS 3 -8.479 -13.572 4.374 143 HE1 HIS 3 HE1 HIS 3 -6.089 -16.516 6.230 144 H SER 4 HN SER 4 -6.882 -10.399 1.533 145 HA SER 4 HA SER 4 -9.487 -10.177 2.779 146 HB2 SER 4 HB2 SER 4 -7.558 -8.083 2.181 147 HB3 SER 4 HB1 SER 4 -9.259 -7.622 2.098 148 HG SER 4 HG SER 4 -7.990 -8.959 4.257 149 H SER 5 HN SER 5 -10.570 -8.400 0.916 150 HA SER 5 HA SER 5 -9.726 -9.266 -1.669 151 HB2 SER 5 HB2 SER 5 -12.391 -10.032 -0.501 152 HB3 SER 5 HB1 SER 5 -12.016 -10.129 -2.231 153 HG SER 5 HG SER 5 -10.141 -11.297 -0.648 154 H VAL 6 HN VAL 6 -10.915 -8.207 -3.326 155 HA VAL 6 HA VAL 6 -11.636 -5.454 -2.572 156 HB VAL 6 HB VAL 6 -11.214 -6.594 -5.339 157 HG11 VAL 6 HG11 VAL 6 -11.029 -3.732 -4.404 158 HG12 VAL 6 HG12 VAL 6 -12.438 -4.455 -5.154 159 HG13 VAL 6 HG13 VAL 6 -10.939 -4.327 -6.066 160 HG21 VAL 6 HG21 VAL 6 -9.228 -5.280 -3.543 161 HG22 VAL 6 HG22 VAL 6 -8.965 -5.641 -5.262 162 HG23 VAL 6 HG23 VAL 6 -9.223 -6.958 -4.099 163 H LYS 7 HN LYS 7 -13.702 -4.868 -2.753 164 HA LYS 7 HA LYS 7 -15.335 -6.433 -4.548 165 HB2 LYS 7 HB2 LYS 7 -16.156 -5.739 -1.717 166 HB3 LYS 7 HB1 LYS 7 -17.353 -6.029 -3.010 167 HG2 LYS 7 HG2 LYS 7 -17.212 -8.054 -1.890 168 HG3 LYS 7 HG1 LYS 7 -16.200 -8.254 -3.315 169 HD2 LYS 7 HD2 LYS 7 -14.220 -7.802 -1.929 170 HD3 LYS 7 HD1 LYS 7 -15.268 -7.695 -0.512 171 HE2 LYS 7 HE2 LYS 7 -14.881 -10.114 -2.290 172 HE3 LYS 7 HE1 LYS 7 -14.287 -9.907 -0.649 173 HZ1 LYS 7 HZ1 LYS 7 -17.156 -9.983 -1.389 174 HZ2 LYS 7 HZ2 LYS 7 -16.537 -9.946 0.179 175 HZ3 LYS 7 HZ3 LYS 7 -16.269 -11.271 -0.805 176 H ARG 8 HN ARG 8 -17.572 -5.100 -4.871 177 HA ARG 8 HA ARG 8 -16.462 -2.508 -5.590 178 HB2 ARG 8 HB2 ARG 8 -17.158 -4.117 -7.429 179 HB3 ARG 8 HB1 ARG 8 -18.821 -3.772 -6.970 180 HG2 ARG 8 HG2 ARG 8 -18.523 -1.440 -7.485 181 HG3 ARG 8 HG1 ARG 8 -16.808 -1.702 -7.818 182 HD2 ARG 8 HD2 ARG 8 -17.487 -3.285 -9.618 183 HD3 ARG 8 HD1 ARG 8 -19.160 -2.787 -9.345 184 HE ARG 8 HE ARG 8 -17.369 -0.606 -9.832 185 HH11 ARG 8 HH11 ARG 8 -19.425 -3.029 -11.399 186 HH12 ARG 8 HH12 ARG 8 -19.643 -2.145 -12.826 187 HH21 ARG 8 HH21 ARG 8 -17.627 0.616 -11.830 188 HH22 ARG 8 HH22 ARG 8 -18.578 -0.031 -13.074 189 H TRP 9 HN TRP 9 -17.260 -0.829 -4.638 190 HA TRP 9 HA TRP 9 -19.770 -0.952 -3.129 191 HB2 TRP 9 HB2 TRP 9 -17.546 -0.390 -2.021 192 HB3 TRP 9 HB1 TRP 9 -17.508 1.018 -3.025 193 HD1 TRP 9 HD1 TRP 9 -20.947 0.521 -1.747 194 HE1 TRP 9 HE1 TRP 9 -21.366 2.040 0.221 195 HE3 TRP 9 HE3 TRP 9 -16.136 2.201 -0.833 196 HZ2 TRP 9 HZ2 TRP 9 -19.993 3.772 1.867 197 HZ3 TRP 9 HZ3 TRP 9 -15.840 3.773 0.905 198 HH2 TRP 9 HH2 TRP 9 -17.773 4.541 2.288 199 H GLY 10 HN GLY 10 -21.235 -0.468 -4.744 200 HA2 GLY 10 HA2 GLY 10 -22.409 0.897 -6.168 201 HA3 GLY 10 HA1 GLY 10 -21.251 2.194 -5.814 202 H ASN 11 HN ASN 11 -20.522 2.798 -7.813 203 HA ASN 11 HA ASN 11 -19.589 0.662 -9.544 204 HB2 ASN 11 HB2 ASN 11 -19.643 3.644 -9.992 205 HB3 ASN 11 HB1 ASN 11 -18.978 2.492 -11.142 206 HD21 ASN 11 HD21 ASN 11 -21.080 4.307 -11.565 207 HD22 ASN 11 HD22 ASN 11 -22.517 3.398 -11.915 208 H SER 12 HN SER 12 -18.107 1.680 -6.837 209 HA SER 12 HA SER 12 -15.592 2.271 -8.090 210 HB2 SER 12 HB2 SER 12 -16.428 4.147 -6.766 211 HB3 SER 12 HB1 SER 12 -16.829 3.026 -5.475 212 HG SER 12 HG SER 12 -14.539 2.644 -5.273 213 HA PRO 13 HA PRO 13 -14.413 -1.636 -6.145 214 HB2 PRO 13 HB2 PRO 13 -11.698 -0.699 -6.445 215 HB3 PRO 13 HB1 PRO 13 -12.486 -2.027 -7.279 216 HG2 PRO 13 HG2 PRO 13 -11.769 0.443 -8.392 217 HG3 PRO 13 HG1 PRO 13 -12.809 -0.779 -9.125 218 HD2 PRO 13 HD2 PRO 13 -13.568 1.814 -7.994 219 HD3 PRO 13 HD1 PRO 13 -14.503 0.670 -8.959 220 H ALA 14 HN ALA 14 -14.185 -1.918 -3.954 221 HA ALA 14 HA ALA 14 -12.663 0.076 -2.507 222 HB1 ALA 14 HB1 ALA 14 -14.316 0.140 -0.767 223 HB2 ALA 14 HB2 ALA 14 -15.326 -1.019 -1.633 224 HB3 ALA 14 HB3 ALA 14 -15.060 0.594 -2.300 225 H VAL 15 HN VAL 15 -11.455 -0.701 -0.954 226 HA VAL 15 HA VAL 15 -11.499 -3.603 -0.489 227 HB VAL 15 HB VAL 15 -9.179 -1.642 -0.182 228 HG11 VAL 15 HG11 VAL 15 -9.055 -3.406 1.524 229 HG12 VAL 15 HG12 VAL 15 -7.786 -3.611 0.319 230 HG13 VAL 15 HG13 VAL 15 -9.219 -4.635 0.270 231 HG21 VAL 15 HG21 VAL 15 -9.692 -2.200 -2.507 232 HG22 VAL 15 HG22 VAL 15 -9.594 -3.914 -2.110 233 HG23 VAL 15 HG23 VAL 15 -8.151 -2.904 -2.009 234 H ARG 16 HN ARG 16 -11.689 -4.346 1.486 235 HA ARG 16 HA ARG 16 -12.668 -2.567 3.506 236 HB2 ARG 16 HB2 ARG 16 -12.404 -5.521 3.236 237 HB3 ARG 16 HB1 ARG 16 -12.910 -4.785 4.765 238 HG2 ARG 16 HG2 ARG 16 -14.738 -3.745 3.526 239 HG3 ARG 16 HG1 ARG 16 -14.275 -4.622 2.086 240 HD2 ARG 16 HD2 ARG 16 -14.584 -6.724 3.173 241 HD3 ARG 16 HD1 ARG 16 -14.911 -5.927 4.707 242 HE ARG 16 HE ARG 16 -16.884 -4.928 3.372 243 HH11 ARG 16 HH11 ARG 16 -15.673 -8.230 2.969 244 HH12 ARG 16 HH12 ARG 16 -17.183 -8.934 2.699 245 HH21 ARG 16 HH21 ARG 16 -18.961 -5.840 3.006 246 HH22 ARG 16 HH22 ARG 16 -19.144 -7.519 2.702 247 H ILE 17 HN ILE 17 -11.353 -1.602 4.897 248 HA ILE 17 HA ILE 17 -8.795 -2.830 5.508 249 HB ILE 17 HB ILE 17 -9.781 0.026 5.647 250 HG12 ILE 17 HG12 ILE 17 -7.547 0.468 4.551 251 HG13 ILE 17 HG11 ILE 17 -7.386 -1.280 4.418 252 HG21 ILE 17 HG21 ILE 17 -7.785 0.753 6.722 253 HG22 ILE 17 HG22 ILE 17 -7.310 -0.927 7.022 254 HG23 ILE 17 HG23 ILE 17 -8.765 -0.255 7.802 255 HD11 ILE 17 HD11 ILE 17 -9.557 0.377 3.292 256 HD12 ILE 17 HD12 ILE 17 -9.356 -1.372 3.090 257 HD13 ILE 17 HD13 ILE 17 -8.173 -0.245 2.378 258 HA PRO 18 HA PRO 18 -10.269 -4.048 9.546 259 HB2 PRO 18 HB2 PRO 18 -7.777 -4.069 10.778 260 HB3 PRO 18 HB1 PRO 18 -8.455 -5.402 9.844 261 HG2 PRO 18 HG2 PRO 18 -6.494 -3.328 8.996 262 HG3 PRO 18 HG1 PRO 18 -6.539 -5.055 8.607 263 HD2 PRO 18 HD2 PRO 18 -7.321 -3.196 6.857 264 HD3 PRO 18 HD1 PRO 18 -8.133 -4.771 6.959 265 H ALA 19 HN ALA 19 -11.152 -2.716 10.958 266 HA ALA 19 HA ALA 19 -10.593 0.025 11.159 267 HB1 ALA 19 HB1 ALA 19 -12.036 -1.694 13.175 268 HB2 ALA 19 HB2 ALA 19 -12.758 -0.937 11.752 269 HB3 ALA 19 HB3 ALA 19 -12.113 0.064 13.052 270 H THR 20 HN THR 20 -9.290 -2.665 12.852 271 HA THR 20 HA THR 20 -8.174 -1.447 15.092 272 HB THR 20 HB THR 20 -7.056 -3.761 13.483 273 HG1 THR 20 HG1 THR 20 -9.126 -3.613 15.433 274 HG21 THR 20 HG21 THR 20 -6.920 -3.165 16.445 275 HG22 THR 20 HG22 THR 20 -5.596 -2.920 15.309 276 HG23 THR 20 HG23 THR 20 -6.212 -4.551 15.612 277 H LEU 21 HN LEU 21 -7.076 -1.562 11.736 278 HA LEU 21 HA LEU 21 -4.441 -0.545 12.333 279 HB2 LEU 21 HB2 LEU 21 -5.891 -1.326 9.863 280 HB3 LEU 21 HB1 LEU 21 -4.480 -0.301 9.729 281 HG LEU 21 HG LEU 21 -4.144 -2.690 9.380 282 HD11 LEU 21 HD11 LEU 21 -2.019 -2.766 10.757 283 HD12 LEU 21 HD12 LEU 21 -2.636 -1.407 11.698 284 HD13 LEU 21 HD13 LEU 21 -2.261 -1.195 9.991 285 HD21 LEU 21 HD21 LEU 21 -5.546 -3.657 11.067 286 HD22 LEU 21 HD22 LEU 21 -4.648 -2.788 12.307 287 HD23 LEU 21 HD23 LEU 21 -3.867 -4.126 11.442 288 H MET 22 HN MET 22 -7.374 0.566 11.123 289 HA MET 22 HA MET 22 -6.842 3.271 10.466 290 HB2 MET 22 HB2 MET 22 -9.189 2.187 12.041 291 HB3 MET 22 HB1 MET 22 -9.135 3.756 11.272 292 HG2 MET 22 HG2 MET 22 -8.779 1.272 9.652 293 HG3 MET 22 HG1 MET 22 -10.398 1.802 10.129 294 HE1 MET 22 HE1 MET 22 -11.458 4.051 9.393 295 HE2 MET 22 HE2 MET 22 -10.618 5.269 8.430 296 HE3 MET 22 HE3 MET 22 -10.081 4.918 10.069 297 H GLN 23 HN GLN 23 -7.750 1.919 13.525 298 HA GLN 23 HA GLN 23 -7.275 4.135 15.165 299 HB2 GLN 23 HB2 GLN 23 -6.969 1.232 15.885 300 HB3 GLN 23 HB1 GLN 23 -7.179 2.564 17.009 301 HG2 GLN 23 HG2 GLN 23 -9.346 3.006 16.069 302 HG3 GLN 23 HG1 GLN 23 -9.160 1.666 14.951 303 HE21 GLN 23 HE21 GLN 23 -11.146 2.023 16.985 304 HE22 GLN 23 HE22 GLN 23 -11.047 0.668 18.046 305 H ALA 24 HN ALA 24 -5.154 1.668 13.919 306 HA ALA 24 HA ALA 24 -2.982 2.185 15.721 307 HB1 ALA 24 HB1 ALA 24 -1.669 0.724 14.291 308 HB2 ALA 24 HB2 ALA 24 -2.895 0.819 13.035 309 HB3 ALA 24 HB3 ALA 24 -3.264 0.023 14.566 310 H LEU 25 HN LEU 25 -3.940 3.425 12.647 311 HA LEU 25 HA LEU 25 -1.455 4.889 12.357 312 HB2 LEU 25 HB2 LEU 25 -3.816 4.559 10.557 313 HB3 LEU 25 HB1 LEU 25 -2.313 5.377 10.136 314 HG LEU 25 HG LEU 25 -2.497 2.468 10.915 315 HD11 LEU 25 HD11 LEU 25 -2.195 3.686 8.207 316 HD12 LEU 25 HD12 LEU 25 -3.664 2.963 8.850 317 HD13 LEU 25 HD13 LEU 25 -2.228 1.958 8.589 318 HD21 LEU 25 HD21 LEU 25 -0.321 3.427 11.375 319 HD22 LEU 25 HD22 LEU 25 -0.256 4.122 9.760 320 HD23 LEU 25 HD23 LEU 25 -0.218 2.372 9.965 321 H ASN 26 HN ASN 26 -4.327 5.299 13.858 322 HA ASN 26 HA ASN 26 -5.445 6.958 14.839 323 HB2 ASN 26 HB2 ASN 26 -3.009 8.603 14.125 324 HB3 ASN 26 HB1 ASN 26 -4.385 9.290 14.973 325 HD21 ASN 26 HD21 ASN 26 -1.630 7.261 15.205 326 HD22 ASN 26 HD22 ASN 26 -1.694 7.001 16.910 327 H LEU 27 HN LEU 27 -5.699 6.461 11.884 328 HA LEU 27 HA LEU 27 -6.839 9.022 11.089 329 HB2 LEU 27 HB2 LEU 27 -6.725 8.216 8.883 330 HB3 LEU 27 HB1 LEU 27 -5.142 7.959 9.588 331 HG LEU 27 HG LEU 27 -6.337 5.515 9.911 332 HD11 LEU 27 HD11 LEU 27 -8.309 6.278 8.676 333 HD12 LEU 27 HD12 LEU 27 -7.432 4.995 7.821 334 HD13 LEU 27 HD13 LEU 27 -7.259 6.676 7.311 335 HD21 LEU 27 HD21 LEU 27 -4.995 4.817 8.025 336 HD22 LEU 27 HD22 LEU 27 -4.105 5.975 9.014 337 HD23 LEU 27 HD23 LEU 27 -4.835 6.489 7.489 338 H ASN 28 HN ASN 28 -8.845 8.809 9.854 339 HA ASN 28 HA ASN 28 -10.611 6.931 11.207 340 HB2 ASN 28 HB2 ASN 28 -12.159 8.902 11.592 341 HB3 ASN 28 HB1 ASN 28 -10.812 8.727 12.697 342 HD21 ASN 28 HD21 ASN 28 -12.091 10.542 9.997 343 HD22 ASN 28 HD22 ASN 28 -11.103 11.936 10.204 344 H ILE 29 HN ILE 29 -12.873 7.338 10.451 345 HA ILE 29 HA ILE 29 -13.042 7.101 7.642 346 HB ILE 29 HB ILE 29 -15.113 7.574 9.796 347 HG12 ILE 29 HG12 ILE 29 -14.071 5.376 10.018 348 HG13 ILE 29 HG11 ILE 29 -15.720 5.186 9.452 349 HG21 ILE 29 HG21 ILE 29 -16.016 8.375 7.640 350 HG22 ILE 29 HG22 ILE 29 -16.869 6.937 8.201 351 HG23 ILE 29 HG23 ILE 29 -15.671 6.795 6.920 352 HD11 ILE 29 HD11 ILE 29 -14.223 3.668 8.340 353 HD12 ILE 29 HD12 ILE 29 -13.221 5.011 7.796 354 HD13 ILE 29 HD13 ILE 29 -14.869 4.836 7.184 355 H ASP 30 HN ASP 30 -13.575 8.604 6.143 356 HA ASP 30 HA ASP 30 -14.138 10.479 5.115 357 HB2 ASP 30 HB2 ASP 30 -15.805 10.880 6.982 358 HB3 ASP 30 HB1 ASP 30 -14.576 11.831 7.796 359 H ASP 31 HN ASP 31 -11.411 9.831 6.659 360 HA ASP 31 HA ASP 31 -10.329 12.497 6.376 361 HB2 ASP 31 HB2 ASP 31 -9.814 10.809 8.410 362 HB3 ASP 31 HB1 ASP 31 -8.660 10.176 7.252 363 H GLU 32 HN GLU 32 -8.178 12.509 5.321 364 HA GLU 32 HA GLU 32 -8.634 11.373 2.682 365 HB2 GLU 32 HB2 GLU 32 -8.699 13.751 2.784 366 HB3 GLU 32 HB1 GLU 32 -7.179 13.839 3.645 367 HG2 GLU 32 HG2 GLU 32 -6.044 12.993 1.686 368 HG3 GLU 32 HG1 GLU 32 -7.584 12.881 0.834 369 H VAL 33 HN VAL 33 -7.086 10.135 1.682 370 HA VAL 33 HA VAL 33 -4.612 9.844 3.132 371 HB VAL 33 HB VAL 33 -4.510 7.449 3.058 372 HG11 VAL 33 HG11 VAL 33 -6.375 6.765 4.382 373 HG12 VAL 33 HG12 VAL 33 -7.260 8.168 3.775 374 HG13 VAL 33 HG13 VAL 33 -5.836 8.414 4.833 375 HG21 VAL 33 HG21 VAL 33 -6.221 6.019 2.111 376 HG22 VAL 33 HG22 VAL 33 -5.507 7.049 0.874 377 HG23 VAL 33 HG23 VAL 33 -7.111 7.435 1.561 378 H LYS 34 HN LYS 34 -2.845 8.946 1.936 379 HA LYS 34 HA LYS 34 -2.866 9.703 -0.879 380 HB2 LYS 34 HB2 LYS 34 -0.700 8.855 1.021 381 HB3 LYS 34 HB1 LYS 34 -0.440 9.106 -0.690 382 HG2 LYS 34 HG2 LYS 34 -0.823 11.418 -0.498 383 HG3 LYS 34 HG1 LYS 34 -1.514 11.203 1.118 384 HD2 LYS 34 HD2 LYS 34 0.860 12.107 1.066 385 HD3 LYS 34 HD1 LYS 34 0.595 10.687 2.073 386 HE2 LYS 34 HE2 LYS 34 2.676 10.484 0.787 387 HE3 LYS 34 HE1 LYS 34 1.504 9.263 0.298 388 HZ1 LYS 34 HZ1 LYS 34 2.557 10.198 -1.628 389 HZ2 LYS 34 HZ2 LYS 34 2.105 11.769 -1.109 390 HZ3 LYS 34 HZ3 LYS 34 0.946 10.720 -1.603 391 H ILE 35 HN ILE 35 -3.359 8.132 -2.329 392 HA ILE 35 HA ILE 35 -2.247 5.500 -1.813 393 HB ILE 35 HB ILE 35 -4.020 6.479 -4.109 394 HG12 ILE 35 HG12 ILE 35 -5.531 4.583 -3.339 395 HG13 ILE 35 HG11 ILE 35 -4.496 4.431 -1.933 396 HG21 ILE 35 HG21 ILE 35 -3.947 4.215 -5.032 397 HG22 ILE 35 HG22 ILE 35 -2.771 3.758 -3.802 398 HG23 ILE 35 HG23 ILE 35 -2.352 4.967 -5.016 399 HD11 ILE 35 HD11 ILE 35 -5.072 6.719 -1.282 400 HD12 ILE 35 HD12 ILE 35 -6.503 5.690 -1.421 401 HD13 ILE 35 HD13 ILE 35 -6.103 6.833 -2.707 402 H ASP 36 HN ASP 36 -0.205 5.674 -1.979 403 HA ASP 36 HA ASP 36 0.981 7.396 -4.046 404 HB2 ASP 36 HB2 ASP 36 1.484 7.572 -1.478 405 HB3 ASP 36 HB1 ASP 36 2.401 6.127 -1.692 406 H LEU 37 HN LEU 37 2.284 6.393 -5.695 407 HA LEU 37 HA LEU 37 2.023 3.581 -5.734 408 HB2 LEU 37 HB2 LEU 37 1.495 5.493 -7.534 409 HB3 LEU 37 HB1 LEU 37 3.171 5.179 -7.938 410 HG LEU 37 HG LEU 37 1.858 3.877 -9.378 411 HD11 LEU 37 HD11 LEU 37 2.487 1.596 -8.802 412 HD12 LEU 37 HD12 LEU 37 2.932 2.241 -7.198 413 HD13 LEU 37 HD13 LEU 37 3.777 2.812 -8.627 414 HD21 LEU 37 HD21 LEU 37 -0.228 3.962 -8.142 415 HD22 LEU 37 HD22 LEU 37 0.402 2.827 -6.957 416 HD23 LEU 37 HD23 LEU 37 0.141 2.310 -8.625 417 H VAL 38 HN VAL 38 3.592 2.408 -5.353 418 HA VAL 38 HA VAL 38 6.412 3.234 -5.626 419 HB VAL 38 HB VAL 38 5.432 1.831 -3.128 420 HG11 VAL 38 HG11 VAL 38 7.702 1.279 -3.679 421 HG12 VAL 38 HG12 VAL 38 7.669 2.289 -2.232 422 HG13 VAL 38 HG13 VAL 38 8.117 2.989 -3.789 423 HG21 VAL 38 HG21 VAL 38 5.807 3.868 -1.850 424 HG22 VAL 38 HG22 VAL 38 4.656 4.205 -3.150 425 HG23 VAL 38 HG23 VAL 38 6.336 4.706 -3.301 426 H ASP 39 HN ASP 39 7.450 1.709 -6.682 427 HA ASP 39 HA ASP 39 8.132 -0.234 -7.607 428 HB2 ASP 39 HB2 ASP 39 7.052 -1.334 -5.019 429 HB3 ASP 39 HB1 ASP 39 7.819 -2.366 -6.222 430 H GLY 40 HN GLY 40 5.415 0.733 -8.029 431 HA2 GLY 40 HA2 GLY 40 3.875 0.149 -9.669 432 HA3 GLY 40 HA1 GLY 40 4.600 -1.443 -9.724 433 H LYS 41 HN LYS 41 3.683 -0.442 -6.552 434 HA LYS 41 HA LYS 41 1.111 -1.732 -6.947 435 HB2 LYS 41 HB2 LYS 41 1.346 -2.909 -4.777 436 HB3 LYS 41 HB1 LYS 41 2.512 -3.464 -5.972 437 HG2 LYS 41 HG2 LYS 41 4.040 -1.690 -4.656 438 HG3 LYS 41 HG1 LYS 41 2.845 -2.010 -3.435 439 HD2 LYS 41 HD2 LYS 41 3.247 -4.331 -3.376 440 HD3 LYS 41 HD1 LYS 41 4.232 -4.276 -4.832 441 HE2 LYS 41 HE2 LYS 41 5.880 -2.897 -3.613 442 HE3 LYS 41 HE1 LYS 41 4.930 -3.084 -2.143 443 HZ1 LYS 41 HZ1 LYS 41 6.660 -4.680 -2.114 444 HZ2 LYS 41 HZ2 LYS 41 6.354 -5.176 -3.674 445 HZ3 LYS 41 HZ3 LYS 41 5.261 -5.576 -2.451 446 H LEU 42 HN LEU 42 -0.312 -1.392 -4.963 447 HA LEU 42 HA LEU 42 -0.369 1.496 -4.646 448 HB2 LEU 42 HB2 LEU 42 -2.398 -0.585 -3.833 449 HB3 LEU 42 HB1 LEU 42 -2.632 1.152 -3.812 450 HG LEU 42 HG LEU 42 -1.929 -0.283 -6.263 451 HD11 LEU 42 HD11 LEU 42 -4.427 -0.410 -6.767 452 HD12 LEU 42 HD12 LEU 42 -4.735 0.184 -5.137 453 HD13 LEU 42 HD13 LEU 42 -3.975 -1.390 -5.376 454 HD21 LEU 42 HD21 LEU 42 -3.345 2.321 -5.737 455 HD22 LEU 42 HD22 LEU 42 -3.351 1.541 -7.301 456 HD23 LEU 42 HD23 LEU 42 -1.830 2.076 -6.634 457 H ILE 43 HN ILE 43 0.148 2.436 -3.047 458 HA ILE 43 HA ILE 43 0.753 0.942 -0.573 459 HB ILE 43 HB ILE 43 2.043 3.403 -1.688 460 HG12 ILE 43 HG12 ILE 43 2.731 1.608 -3.052 461 HG13 ILE 43 HG11 ILE 43 4.035 2.036 -1.931 462 HG21 ILE 43 HG21 ILE 43 3.734 3.159 0.033 463 HG22 ILE 43 HG22 ILE 43 2.804 1.810 0.728 464 HG23 ILE 43 HG23 ILE 43 2.113 3.440 0.685 465 HD11 ILE 43 HD11 ILE 43 3.828 -0.389 -2.303 466 HD12 ILE 43 HD12 ILE 43 2.205 -0.338 -1.638 467 HD13 ILE 43 HD13 ILE 43 3.601 0.069 -0.619 468 H ILE 44 HN ILE 44 0.035 1.818 1.364 469 HA ILE 44 HA ILE 44 -1.699 4.143 1.037 470 HB ILE 44 HB ILE 44 -2.073 1.793 2.891 471 HG12 ILE 44 HG12 ILE 44 -3.774 2.791 0.590 472 HG13 ILE 44 HG11 ILE 44 -2.781 1.338 0.594 473 HG21 ILE 44 HG21 ILE 44 -3.728 4.329 2.669 474 HG22 ILE 44 HG22 ILE 44 -2.724 3.865 4.041 475 HG23 ILE 44 HG23 ILE 44 -4.162 2.926 3.645 476 HD11 ILE 44 HD11 ILE 44 -5.165 1.826 2.365 477 HD12 ILE 44 HD12 ILE 44 -4.213 0.343 2.290 478 HD13 ILE 44 HD13 ILE 44 -5.165 0.859 0.893 479 H GLU 45 HN GLU 45 -0.870 5.763 1.851 480 HA GLU 45 HA GLU 45 0.454 5.679 4.433 481 HB2 GLU 45 HB2 GLU 45 2.171 5.739 2.746 482 HB3 GLU 45 HB1 GLU 45 1.332 6.968 1.827 483 HG2 GLU 45 HG2 GLU 45 1.992 8.618 3.484 484 HG3 GLU 45 HG1 GLU 45 2.645 7.337 4.521 485 HA PRO 46 HA PRO 46 -2.853 8.450 4.603 486 HB2 PRO 46 HB2 PRO 46 -2.274 9.465 7.203 487 HB3 PRO 46 HB1 PRO 46 -3.414 8.196 6.755 488 HG2 PRO 46 HG2 PRO 46 -1.129 7.886 8.147 489 HG3 PRO 46 HG1 PRO 46 -1.969 6.556 7.288 490 HD2 PRO 46 HD2 PRO 46 0.398 8.230 6.471 491 HD3 PRO 46 HD1 PRO 46 0.214 6.504 6.152 492 H VAL 47 HN VAL 47 -3.412 10.718 5.202 493 HA VAL 47 HA VAL 47 -1.221 12.469 4.359 494 HB VAL 47 HB VAL 47 -4.194 13.157 4.365 495 HG11 VAL 47 HG11 VAL 47 -2.641 15.065 4.626 496 HG12 VAL 47 HG12 VAL 47 -3.509 15.064 3.059 497 HG13 VAL 47 HG13 VAL 47 -1.839 14.477 3.149 498 HG21 VAL 47 HG21 VAL 47 -2.360 12.427 2.142 499 HG22 VAL 47 HG22 VAL 47 -3.898 13.211 1.892 500 HG23 VAL 47 HG23 VAL 47 -3.860 11.587 2.605 501 H ARG 48 HN ARG 48 -0.349 13.516 5.880 502 HA ARG 48 HA ARG 48 -1.516 13.463 8.497 503 HB2 ARG 48 HB2 ARG 48 0.567 14.690 9.171 504 HB3 ARG 48 HB1 ARG 48 0.813 13.094 8.477 505 HG2 ARG 48 HG2 ARG 48 1.506 14.042 6.400 506 HG3 ARG 48 HG1 ARG 48 1.078 15.667 6.946 507 HD2 ARG 48 HD2 ARG 48 2.763 15.631 8.577 508 HD3 ARG 48 HD1 ARG 48 3.098 13.922 8.291 509 HE ARG 48 HE ARG 48 3.556 14.895 5.889 510 HH11 ARG 48 HH11 ARG 48 4.586 16.391 8.971 511 HH12 ARG 48 HH12 ARG 48 6.077 16.870 8.348 512 HH21 ARG 48 HH21 ARG 48 5.588 15.596 5.080 513 HH22 ARG 48 HH22 ARG 48 6.681 16.408 6.107 514 H LYS 49 HN LYS 49 -2.545 15.003 9.476 515 HA LYS 49 HA LYS 49 -2.899 17.488 8.033 516 HB2 LYS 49 HB2 LYS 49 -4.509 16.124 10.171 517 HB3 LYS 49 HB1 LYS 49 -4.640 17.859 9.967 518 HG2 LYS 49 HG2 LYS 49 -6.425 16.639 8.782 519 HG3 LYS 49 HG1 LYS 49 -5.413 17.572 7.685 520 HD2 LYS 49 HD2 LYS 49 -4.204 15.560 7.073 521 HD3 LYS 49 HD1 LYS 49 -5.167 14.609 8.196 522 HE2 LYS 49 HE2 LYS 49 -6.190 16.120 5.785 523 HE3 LYS 49 HE1 LYS 49 -5.959 14.378 5.878 524 HZ1 LYS 49 HZ1 LYS 49 -7.660 14.272 7.593 525 HZ2 LYS 49 HZ2 LYS 49 -8.264 15.040 6.212 526 HZ3 LYS 49 HZ3 LYS 49 -7.857 15.956 7.539 527 H GLU 50 HN GLU 50 -1.321 18.594 8.363 528 HA GLU 50 HA GLU 50 -0.441 19.279 11.046 529 HB2 GLU 50 HB2 GLU 50 0.933 17.431 9.979 530 HB3 GLU 50 HB1 GLU 50 1.332 18.569 8.710 531 HG2 GLU 50 HG2 GLU 50 2.328 20.040 10.444 532 HG3 GLU 50 HG1 GLU 50 2.066 18.737 11.607 533 H1 ASN -16 HT1 ASN -16 -9.140 25.027 5.514 534 H2 ASN -16 HT2 ASN -16 -9.684 25.688 4.066 535 H3 ASN -16 HT3 ASN -16 -8.056 25.382 4.285 536 HA ASN -16 HA ASN -16 -8.401 23.031 4.395 537 HB2 ASN -16 HB2 ASN -16 -10.710 23.072 5.319 538 HB3 ASN -16 HB1 ASN -16 -11.305 23.730 3.801 539 HD21 ASN -16 HD21 ASN -16 -10.224 20.864 5.481 540 HD22 ASN -16 HD22 ASN -16 -10.690 19.760 4.256 541 H HIS -15 HN HIS -15 -10.492 24.898 2.191 542 HA HIS -15 HA HIS -15 -9.297 23.684 -0.126 543 HB2 HIS -15 HB2 HIS -15 -11.215 26.033 0.138 544 HB3 HIS -15 HB1 HIS -15 -10.791 25.238 -1.367 545 HD1 HIS -15 HD1 HIS -15 -12.284 23.272 -2.046 546 HD2 HIS -15 HD2 HIS -15 -12.775 24.380 1.930 547 HE1 HIS -15 HE1 HIS -15 -14.218 21.935 -1.177 548 H LYS -14 HN LYS -14 -7.769 24.709 -1.437 549 HA LYS -14 HA LYS -14 -6.209 26.640 -0.072 550 HB2 LYS -14 HB2 LYS -14 -5.889 25.544 -2.867 551 HB3 LYS -14 HB1 LYS -14 -4.709 26.562 -2.051 552 HG2 LYS -14 HG2 LYS -14 -4.521 24.851 -0.273 553 HG3 LYS -14 HG1 LYS -14 -5.598 23.814 -1.202 554 HD2 LYS -14 HD2 LYS -14 -3.980 23.847 -3.060 555 HD3 LYS -14 HD1 LYS -14 -2.904 24.849 -2.083 556 HE2 LYS -14 HE2 LYS -14 -2.122 22.617 -1.875 557 HE3 LYS -14 HE1 LYS -14 -2.934 23.009 -0.364 558 HZ1 LYS -14 HZ1 LYS -14 -3.590 20.836 -1.041 559 HZ2 LYS -14 HZ2 LYS -14 -3.930 21.331 -2.586 560 HZ3 LYS -14 HZ3 LYS -14 -4.939 21.836 -1.294 561 H VAL -13 HN VAL -13 -6.251 28.710 -0.138 562 HA VAL -13 HA VAL -13 -8.400 30.052 -1.301 563 HB VAL -13 HB VAL -13 -7.343 30.770 0.807 564 HG11 VAL -13 HG11 VAL -13 -5.017 30.440 0.319 565 HG12 VAL -13 HG12 VAL -13 -5.302 32.106 0.827 566 HG13 VAL -13 HG13 VAL -13 -5.055 31.734 -0.879 567 HG21 VAL -13 HG21 VAL -13 -7.492 32.855 -1.356 568 HG22 VAL -13 HG22 VAL -13 -7.294 33.242 0.344 569 HG23 VAL -13 HG23 VAL -13 -8.746 32.402 -0.196 570 H HIS -12 HN HIS -12 -8.667 31.155 -3.094 571 HA HIS -12 HA HIS -12 -6.515 31.163 -5.007 572 HB2 HIS -12 HB2 HIS -12 -9.440 31.884 -5.264 573 HB3 HIS -12 HB1 HIS -12 -8.280 32.129 -6.568 574 HD1 HIS -12 HD1 HIS -12 -7.499 30.031 -7.866 575 HD2 HIS -12 HD2 HIS -12 -10.060 29.201 -4.703 576 HE1 HIS -12 HE1 HIS -12 -8.118 27.615 -8.094 577 H HIS -11 HN HIS -11 -5.114 32.534 -4.356 578 HA HIS -11 HA HIS -11 -5.717 35.351 -4.438 579 HB2 HIS -11 HB2 HIS -11 -6.048 34.663 -2.063 580 HB3 HIS -11 HB1 HIS -11 -4.470 33.910 -2.061 581 HD1 HIS -11 HD1 HIS -11 -3.311 35.334 -0.304 582 HD2 HIS -11 HD2 HIS -11 -5.222 37.618 -3.206 583 HE1 HIS -11 HE1 HIS -11 -2.649 37.705 0.135 584 H HIS -10 HN HIS -10 -3.607 36.497 -4.544 585 HA HIS -10 HA HIS -10 -1.851 35.441 -6.422 586 HB2 HIS -10 HB2 HIS -10 -1.260 37.648 -4.433 587 HB3 HIS -10 HB1 HIS -10 -0.399 37.357 -5.941 588 HD1 HIS -10 HD1 HIS -10 -1.660 38.030 -8.153 589 HD2 HIS -10 HD2 HIS -10 -3.672 38.925 -4.645 590 HE1 HIS -10 HE1 HIS -10 -3.541 39.565 -8.801 591 H HIS -9 HN HIS -9 -1.746 35.398 -2.952 592 HA HIS -9 HA HIS -9 0.775 33.941 -3.013 593 HB2 HIS -9 HB2 HIS -9 -0.887 34.827 -0.624 594 HB3 HIS -9 HB1 HIS -9 0.732 34.137 -0.559 595 HD1 HIS -9 HD1 HIS -9 2.712 35.745 -1.172 596 HD2 HIS -9 HD2 HIS -9 -1.047 37.486 -1.352 597 HE1 HIS -9 HE1 HIS -9 3.087 38.236 -1.347 598 H HIS -8 HN HIS -8 0.396 31.917 -3.609 599 HA HIS -8 HA HIS -8 -1.761 30.421 -2.307 600 HB2 HIS -8 HB2 HIS -8 -2.579 31.155 -4.521 601 HB3 HIS -8 HB1 HIS -8 -1.157 30.457 -5.278 602 HD1 HIS -8 HD1 HIS -8 -4.499 29.522 -3.819 603 HD2 HIS -8 HD2 HIS -8 -1.232 27.676 -5.616 604 HE1 HIS -8 HE1 HIS -8 -5.265 27.224 -4.481 605 H HIS -7 HN HIS -7 -0.993 28.583 -1.501 606 HA HIS -7 HA HIS -7 1.645 27.701 -2.416 607 HB2 HIS -7 HB2 HIS -7 0.229 27.090 0.191 608 HB3 HIS -7 HB1 HIS -7 1.823 26.508 -0.260 609 HD1 HIS -7 HD1 HIS -7 0.433 28.953 1.824 610 HD2 HIS -7 HD2 HIS -7 3.487 28.994 -0.990 611 HE1 HIS -7 HE1 HIS -7 1.889 30.916 2.404 612 H MET -6 HN MET -6 1.550 26.133 -3.808 613 HA MET -6 HA MET -6 -0.694 24.290 -3.672 614 HB2 MET -6 HB2 MET -6 -0.076 23.572 -5.981 615 HB3 MET -6 HB1 MET -6 -0.495 25.272 -5.861 616 HG2 MET -6 HG2 MET -6 1.885 25.853 -5.933 617 HG3 MET -6 HG1 MET -6 2.294 24.141 -6.046 618 HE1 MET -6 HE1 MET -6 3.383 26.276 -8.115 619 HE2 MET -6 HE2 MET -6 3.159 25.395 -9.627 620 HE3 MET -6 HE3 MET -6 3.722 24.550 -8.188 621 H SER -5 HN SER -5 0.037 23.175 -1.909 622 HA SER -5 HA SER -5 2.476 21.787 -1.772 623 HB2 SER -5 HB2 SER -5 -0.121 21.065 -0.423 624 HB3 SER -5 HB1 SER -5 1.517 20.763 0.166 625 HG SER -5 HG SER -5 1.764 23.093 0.237 626 H ASP -4 HN ASP -4 -0.338 21.240 -3.604 627 HA ASP -4 HA ASP -4 -0.499 18.411 -3.706 628 HB2 ASP -4 HB2 ASP -4 -1.338 20.282 -5.914 629 HB3 ASP -4 HB1 ASP -4 -2.009 18.706 -5.525 630 H ASP -3 HN ASP -3 1.565 20.650 -5.120 631 HA ASP -3 HA ASP -3 2.296 19.118 -7.451 632 HB2 ASP -3 HB2 ASP -3 2.565 21.515 -7.591 633 HB3 ASP -3 HB1 ASP -3 3.601 21.530 -6.170 634 H ASP -2 HN ASP -2 3.435 19.432 -4.204 635 HA ASP -2 HA ASP -2 5.960 18.149 -4.583 636 HB2 ASP -2 HB2 ASP -2 5.657 19.600 -2.683 637 HB3 ASP -2 HB1 ASP -2 4.316 18.625 -2.097 638 H ASP -1 HN ASP -1 2.777 17.094 -3.675 639 HA ASP -1 HA ASP -1 3.739 14.435 -3.064 640 HB2 ASP -1 HB2 ASP -1 1.902 15.704 -1.787 641 HB3 ASP -1 HB1 ASP -1 0.860 15.303 -3.149 642 H LYS 0 HN LYS 0 3.248 12.600 -4.273 643 HA LYS 0 HA LYS 0 2.232 13.125 -6.998 644 HB2 LYS 0 HB2 LYS 0 3.586 11.282 -7.771 645 HB3 LYS 0 HB1 LYS 0 4.616 12.403 -6.887 646 HG2 LYS 0 HG2 LYS 0 4.752 10.969 -5.023 647 HG3 LYS 0 HG1 LYS 0 3.421 9.966 -5.597 648 HD2 LYS 0 HD2 LYS 0 4.879 9.374 -7.564 649 HD3 LYS 0 HD1 LYS 0 6.203 10.186 -6.722 650 HE2 LYS 0 HE2 LYS 0 5.993 8.683 -4.847 651 HE3 LYS 0 HE1 LYS 0 4.573 7.927 -5.565 652 HZ1 LYS 0 HZ1 LYS 0 6.041 7.211 -7.420 653 HZ2 LYS 0 HZ2 LYS 0 6.383 6.531 -5.939 654 HZ3 LYS 0 HZ3 LYS 0 7.386 7.744 -6.528 655 H GLY 1 HN GLY 1 1.071 11.983 -4.178 656 HA2 GLY 1 HA2 GLY 1 0.228 9.415 -5.136 657 HA3 GLY 1 HA1 GLY 1 0.151 10.031 -3.485 658 H ILE 2 HN ILE 2 -1.730 8.940 -5.252 659 HA ILE 2 HA ILE 2 -3.632 10.911 -6.110 660 HB ILE 2 HB ILE 2 -4.130 7.993 -5.444 661 HG12 ILE 2 HG12 ILE 2 -3.468 9.225 -8.131 662 HG13 ILE 2 HG11 ILE 2 -2.348 8.283 -7.151 663 HG21 ILE 2 HG21 ILE 2 -6.065 8.190 -6.950 664 HG22 ILE 2 HG22 ILE 2 -5.724 9.910 -7.149 665 HG23 ILE 2 HG23 ILE 2 -6.187 9.281 -5.568 666 HD11 ILE 2 HD11 ILE 2 -3.804 6.326 -7.392 667 HD12 ILE 2 HD12 ILE 2 -3.275 6.950 -8.956 668 HD13 ILE 2 HD13 ILE 2 -4.908 7.283 -8.380 669 H HIS 3 HN HIS 3 -4.607 12.204 -4.638 670 HA HIS 3 HA HIS 3 -4.961 11.247 -1.988 671 HB2 HIS 3 HB2 HIS 3 -6.057 13.421 -1.452 672 HB3 HIS 3 HB1 HIS 3 -4.478 13.618 -2.182 673 HD1 HIS 3 HD1 HIS 3 -4.455 15.558 -3.789 674 HD2 HIS 3 HD2 HIS 3 -8.197 13.757 -3.575 675 HE1 HIS 3 HE1 HIS 3 -5.962 16.909 -5.258 676 H SER 4 HN SER 4 -6.587 10.433 -1.047 677 HA SER 4 HA SER 4 -9.220 10.337 -2.309 678 HB2 SER 4 HB2 SER 4 -7.470 8.112 -1.476 679 HB3 SER 4 HB1 SER 4 -9.189 7.837 -1.652 680 HG SER 4 HG SER 4 -7.651 9.060 -3.672 681 H SER 5 HN SER 5 -10.399 8.646 -0.447 682 HA SER 5 HA SER 5 -9.586 9.492 2.149 683 HB2 SER 5 HB2 SER 5 -12.206 10.373 0.935 684 HB3 SER 5 HB1 SER 5 -11.854 10.456 2.667 685 HG SER 5 HG SER 5 -9.913 11.538 1.110 686 H VAL 6 HN VAL 6 -10.762 8.410 3.780 687 HA VAL 6 HA VAL 6 -11.589 5.718 2.962 688 HB VAL 6 HB VAL 6 -11.160 6.788 5.756 689 HG11 VAL 6 HG11 VAL 6 -10.788 4.416 6.343 690 HG12 VAL 6 HG12 VAL 6 -11.266 3.965 4.710 691 HG13 VAL 6 HG13 VAL 6 -12.412 4.770 5.775 692 HG21 VAL 6 HG21 VAL 6 -9.175 5.435 3.975 693 HG22 VAL 6 HG22 VAL 6 -8.941 5.773 5.701 694 HG23 VAL 6 HG23 VAL 6 -9.133 7.107 4.551 695 H LYS 7 HN LYS 7 -13.663 5.125 3.200 696 HA LYS 7 HA LYS 7 -15.284 6.747 4.950 697 HB2 LYS 7 HB2 LYS 7 -16.090 6.064 2.114 698 HB3 LYS 7 HB1 LYS 7 -17.296 6.406 3.383 699 HG2 LYS 7 HG2 LYS 7 -17.085 8.422 2.267 700 HG3 LYS 7 HG1 LYS 7 -16.030 8.603 3.664 701 HD2 LYS 7 HD2 LYS 7 -14.105 8.052 2.273 702 HD3 LYS 7 HD1 LYS 7 -15.175 7.900 0.875 703 HE2 LYS 7 HE2 LYS 7 -14.683 10.389 2.512 704 HE3 LYS 7 HE1 LYS 7 -14.101 10.070 0.883 705 HZ1 LYS 7 HZ1 LYS 7 -16.506 9.970 0.204 706 HZ2 LYS 7 HZ2 LYS 7 -15.924 11.459 0.701 707 HZ3 LYS 7 HZ3 LYS 7 -16.886 10.585 1.738 708 H ARG 8 HN ARG 8 -17.551 5.465 5.281 709 HA ARG 8 HA ARG 8 -16.487 2.860 5.998 710 HB2 ARG 8 HB2 ARG 8 -17.165 4.417 7.885 711 HB3 ARG 8 HB1 ARG 8 -18.835 4.158 7.386 712 HG2 ARG 8 HG2 ARG 8 -18.670 1.814 7.828 713 HG3 ARG 8 HG1 ARG 8 -16.946 1.948 8.167 714 HD2 ARG 8 HD2 ARG 8 -17.557 3.461 10.090 715 HD3 ARG 8 HD1 ARG 8 -19.244 3.044 9.790 716 HE ARG 8 HE ARG 8 -17.679 0.702 10.029 717 HH11 ARG 8 HH11 ARG 8 -19.124 3.223 12.066 718 HH12 ARG 8 HH12 ARG 8 -19.158 2.276 13.463 719 HH21 ARG 8 HH21 ARG 8 -17.775 -0.654 12.007 720 HH22 ARG 8 HH22 ARG 8 -18.382 0.044 13.414 721 H TRP 9 HN TRP 9 -17.278 1.210 4.928 722 HA TRP 9 HA TRP 9 -19.803 1.408 3.451 723 HB2 TRP 9 HB2 TRP 9 -17.615 0.811 2.309 724 HB3 TRP 9 HB1 TRP 9 -17.554 -0.599 3.319 725 HD1 TRP 9 HD1 TRP 9 -21.011 -0.048 1.990 726 HE1 TRP 9 HE1 TRP 9 -21.406 -1.580 0.013 727 HE3 TRP 9 HE3 TRP 9 -16.212 -1.848 1.195 728 HZ2 TRP 9 HZ2 TRP 9 -20.050 -3.342 -1.573 729 HZ3 TRP 9 HZ3 TRP 9 -15.920 -3.443 -0.531 730 HH2 TRP 9 HH2 TRP 9 -17.840 -4.171 -1.944 731 H GLY 10 HN GLY 10 -21.322 0.915 4.985 732 HA2 GLY 10 HA2 GLY 10 -22.544 -0.419 6.376 733 HA3 GLY 10 HA1 GLY 10 -21.440 -1.751 6.003 734 H ASN 11 HN ASN 11 -20.640 -2.458 7.878 735 HA ASN 11 HA ASN 11 -19.719 -0.452 9.790 736 HB2 ASN 11 HB2 ASN 11 -20.066 -3.431 10.034 737 HB3 ASN 11 HB1 ASN 11 -19.236 -2.472 11.251 738 HD21 ASN 11 HD21 ASN 11 -21.706 -4.009 11.404 739 HD22 ASN 11 HD22 ASN 11 -22.917 -2.912 11.944 740 H SER 12 HN SER 12 -18.215 -1.236 7.103 741 HA SER 12 HA SER 12 -15.753 -1.983 8.375 742 HB2 SER 12 HB2 SER 12 -16.578 -3.815 7.068 743 HB3 SER 12 HB1 SER 12 -17.017 -2.700 5.777 744 HG SER 12 HG SER 12 -14.723 -2.307 5.558 745 HA PRO 13 HA PRO 13 -14.450 1.977 6.532 746 HB2 PRO 13 HB2 PRO 13 -11.759 0.943 6.954 747 HB3 PRO 13 HB1 PRO 13 -12.515 2.352 7.685 748 HG2 PRO 13 HG2 PRO 13 -11.952 -0.059 8.968 749 HG3 PRO 13 HG1 PRO 13 -13.027 1.211 9.572 750 HD2 PRO 13 HD2 PRO 13 -13.742 -1.435 8.494 751 HD3 PRO 13 HD1 PRO 13 -14.727 -0.256 9.362 752 H ALA 14 HN ALA 14 -14.197 2.217 4.347 753 HA ALA 14 HA ALA 14 -12.689 0.172 2.947 754 HB1 ALA 14 HB1 ALA 14 -14.326 0.124 1.184 755 HB2 ALA 14 HB2 ALA 14 -15.316 1.319 2.026 756 HB3 ALA 14 HB3 ALA 14 -15.097 -0.292 2.715 757 H VAL 15 HN VAL 15 -11.454 0.910 1.383 758 HA VAL 15 HA VAL 15 -11.441 3.811 0.893 759 HB VAL 15 HB VAL 15 -9.139 1.821 0.651 760 HG11 VAL 15 HG11 VAL 15 -8.960 3.586 -1.048 761 HG12 VAL 15 HG12 VAL 15 -7.715 3.767 0.187 762 HG13 VAL 15 HG13 VAL 15 -9.136 4.813 0.208 763 HG21 VAL 15 HG21 VAL 15 -9.682 2.371 2.967 764 HG22 VAL 15 HG22 VAL 15 -9.595 4.082 2.574 765 HG23 VAL 15 HG23 VAL 15 -8.137 3.091 2.501 766 H ARG 16 HN ARG 16 -11.579 4.563 -1.075 767 HA ARG 16 HA ARG 16 -12.544 2.812 -3.128 768 HB2 ARG 16 HB2 ARG 16 -12.219 5.752 -2.827 769 HB3 ARG 16 HB1 ARG 16 -12.705 5.044 -4.376 770 HG2 ARG 16 HG2 ARG 16 -14.594 4.046 -3.183 771 HG3 ARG 16 HG1 ARG 16 -14.134 4.891 -1.733 772 HD2 ARG 16 HD2 ARG 16 -14.320 7.019 -2.808 773 HD3 ARG 16 HD1 ARG 16 -14.703 6.247 -4.346 774 HE ARG 16 HE ARG 16 -16.683 5.324 -2.946 775 HH11 ARG 16 HH11 ARG 16 -15.355 8.619 -2.778 776 HH12 ARG 16 HH12 ARG 16 -16.847 9.335 -2.367 777 HH21 ARG 16 HH21 ARG 16 -18.716 6.333 -2.388 778 HH22 ARG 16 HH22 ARG 16 -18.786 8.023 -2.155 779 H ILE 17 HN ILE 17 -11.244 1.850 -4.496 780 HA ILE 17 HA ILE 17 -8.646 3.020 -5.076 781 HB ILE 17 HB ILE 17 -9.704 0.191 -5.253 782 HG12 ILE 17 HG12 ILE 17 -7.524 -0.337 -4.111 783 HG13 ILE 17 HG11 ILE 17 -7.278 1.402 -3.968 784 HG21 ILE 17 HG21 ILE 17 -7.708 -0.572 -6.301 785 HG22 ILE 17 HG22 ILE 17 -7.192 1.103 -6.569 786 HG23 ILE 17 HG23 ILE 17 -8.646 0.476 -7.382 787 HD11 ILE 17 HD11 ILE 17 -9.529 -0.178 -2.875 788 HD12 ILE 17 HD12 ILE 17 -9.277 1.563 -2.665 789 HD13 ILE 17 HD13 ILE 17 -8.138 0.398 -1.942 790 HA PRO 18 HA PRO 18 -10.154 4.249 -9.117 791 HB2 PRO 18 HB2 PRO 18 -7.668 4.286 -10.373 792 HB3 PRO 18 HB1 PRO 18 -8.347 5.627 -9.449 793 HG2 PRO 18 HG2 PRO 18 -6.348 3.580 -8.603 794 HG3 PRO 18 HG1 PRO 18 -6.426 5.303 -8.205 795 HD2 PRO 18 HD2 PRO 18 -7.173 3.386 -6.474 796 HD3 PRO 18 HD1 PRO 18 -7.981 4.967 -6.524 797 H ALA 19 HN ALA 19 -11.027 2.893 -10.557 798 HA ALA 19 HA ALA 19 -10.437 0.157 -10.641 799 HB1 ALA 19 HB1 ALA 19 -11.940 1.735 -12.723 800 HB2 ALA 19 HB2 ALA 19 -12.612 1.059 -11.226 801 HB3 ALA 19 HB3 ALA 19 -11.966 -0.015 -12.463 802 H THR 20 HN THR 20 -9.198 2.778 -12.503 803 HA THR 20 HA THR 20 -8.059 1.537 -14.674 804 HB THR 20 HB THR 20 -6.926 3.818 -13.048 805 HG1 THR 20 HG1 THR 20 -8.517 5.009 -13.799 806 HG21 THR 20 HG21 THR 20 -6.880 3.243 -16.023 807 HG22 THR 20 HG22 THR 20 -5.521 3.034 -14.910 808 HG23 THR 20 HG23 THR 20 -6.174 4.645 -15.207 809 H LEU 21 HN LEU 21 -6.946 1.723 -11.314 810 HA LEU 21 HA LEU 21 -4.312 0.710 -11.881 811 HB2 LEU 21 HB2 LEU 21 -5.799 1.484 -9.447 812 HB3 LEU 21 HB1 LEU 21 -4.405 0.443 -9.276 813 HG LEU 21 HG LEU 21 -4.048 2.818 -8.929 814 HD11 LEU 21 HD11 LEU 21 -1.876 2.855 -10.236 815 HD12 LEU 21 HD12 LEU 21 -2.487 1.508 -11.198 816 HD13 LEU 21 HD13 LEU 21 -2.172 1.290 -9.478 817 HD21 LEU 21 HD21 LEU 21 -5.381 3.816 -10.644 818 HD22 LEU 21 HD22 LEU 21 -4.489 2.927 -11.876 819 HD23 LEU 21 HD23 LEU 21 -3.688 4.240 -10.991 820 H MET 22 HN MET 22 -7.254 -0.441 -10.759 821 HA MET 22 HA MET 22 -6.539 -3.105 -10.049 822 HB2 MET 22 HB2 MET 22 -9.009 -2.393 -11.605 823 HB3 MET 22 HB1 MET 22 -8.732 -3.836 -10.647 824 HG2 MET 22 HG2 MET 22 -8.653 -2.310 -8.636 825 HG3 MET 22 HG1 MET 22 -9.171 -1.031 -9.714 826 HE1 MET 22 HE1 MET 22 -11.603 -4.805 -8.858 827 HE2 MET 22 HE2 MET 22 -10.008 -4.454 -8.177 828 HE3 MET 22 HE3 MET 22 -10.183 -4.802 -9.897 829 H GLN 23 HN GLN 23 -7.521 -1.784 -13.067 830 HA GLN 23 HA GLN 23 -7.093 -4.000 -14.722 831 HB2 GLN 23 HB2 GLN 23 -6.839 -1.076 -15.390 832 HB3 GLN 23 HB1 GLN 23 -7.040 -2.394 -16.545 833 HG2 GLN 23 HG2 GLN 23 -9.181 -2.907 -15.639 834 HG3 GLN 23 HG1 GLN 23 -9.012 -1.683 -14.397 835 HE21 GLN 23 HE21 GLN 23 -11.065 -1.893 -16.389 836 HE22 GLN 23 HE22 GLN 23 -11.006 -0.438 -17.315 837 H ALA 24 HN ALA 24 -4.958 -1.523 -13.548 838 HA ALA 24 HA ALA 24 -2.786 -2.140 -15.303 839 HB1 ALA 24 HB1 ALA 24 -1.434 -0.701 -13.866 840 HB2 ALA 24 HB2 ALA 24 -2.698 -0.716 -12.639 841 HB3 ALA 24 HB3 ALA 24 -2.995 0.053 -14.200 842 H LEU 25 HN LEU 25 -3.792 -3.248 -12.166 843 HA LEU 25 HA LEU 25 -1.404 -4.842 -11.834 844 HB2 LEU 25 HB2 LEU 25 -3.786 -4.378 -10.086 845 HB3 LEU 25 HB1 LEU 25 -2.350 -5.293 -9.641 846 HG LEU 25 HG LEU 25 -2.352 -2.369 -10.366 847 HD11 LEU 25 HD11 LEU 25 -1.864 -2.099 -7.931 848 HD12 LEU 25 HD12 LEU 25 -2.442 -3.778 -7.750 849 HD13 LEU 25 HD13 LEU 25 -3.507 -2.532 -8.386 850 HD21 LEU 25 HD21 LEU 25 -0.224 -3.424 -10.835 851 HD22 LEU 25 HD22 LEU 25 -0.208 -4.165 -9.240 852 HD23 LEU 25 HD23 LEU 25 -0.085 -2.414 -9.397 853 H ASN 26 HN ASN 26 -4.254 -5.123 -13.398 854 HA ASN 26 HA ASN 26 -5.470 -6.744 -14.363 855 HB2 ASN 26 HB2 ASN 26 -3.119 -8.536 -13.687 856 HB3 ASN 26 HB1 ASN 26 -4.425 -8.967 -14.782 857 HD21 ASN 26 HD21 ASN 26 -1.512 -7.291 -14.381 858 HD22 ASN 26 HD22 ASN 26 -1.331 -6.683 -15.977 859 H LEU 27 HN LEU 27 -5.784 -6.277 -11.482 860 HA LEU 27 HA LEU 27 -6.895 -8.855 -10.685 861 HB2 LEU 27 HB2 LEU 27 -6.783 -8.049 -8.467 862 HB3 LEU 27 HB1 LEU 27 -5.189 -7.863 -9.166 863 HG LEU 27 HG LEU 27 -6.219 -5.376 -9.523 864 HD11 LEU 27 HD11 LEU 27 -8.300 -5.960 -8.383 865 HD12 LEU 27 HD12 LEU 27 -7.376 -4.734 -7.485 866 HD13 LEU 27 HD13 LEU 27 -7.363 -6.419 -6.960 867 HD21 LEU 27 HD21 LEU 27 -4.937 -4.737 -7.545 868 HD22 LEU 27 HD22 LEU 27 -4.074 -5.891 -8.552 869 HD23 LEU 27 HD23 LEU 27 -4.845 -6.433 -7.054 870 H ASN 28 HN ASN 28 -8.925 -8.699 -9.542 871 HA ASN 28 HA ASN 28 -10.641 -6.690 -10.786 872 HB2 ASN 28 HB2 ASN 28 -12.239 -8.629 -11.222 873 HB3 ASN 28 HB1 ASN 28 -10.904 -8.427 -12.343 874 HD21 ASN 28 HD21 ASN 28 -12.187 -10.312 -9.698 875 HD22 ASN 28 HD22 ASN 28 -11.193 -11.692 -9.934 876 H ILE 29 HN ILE 29 -12.938 -7.078 -10.033 877 HA ILE 29 HA ILE 29 -13.087 -6.876 -7.225 878 HB ILE 29 HB ILE 29 -15.167 -7.259 -9.380 879 HG12 ILE 29 HG12 ILE 29 -14.117 -5.076 -9.593 880 HG13 ILE 29 HG11 ILE 29 -15.733 -4.865 -8.969 881 HG21 ILE 29 HG21 ILE 29 -16.083 -8.078 -7.230 882 HG22 ILE 29 HG22 ILE 29 -16.921 -6.631 -7.784 883 HG23 ILE 29 HG23 ILE 29 -15.726 -6.506 -6.499 884 HD11 ILE 29 HD11 ILE 29 -14.160 -3.395 -7.879 885 HD12 ILE 29 HD12 ILE 29 -13.205 -4.771 -7.343 886 HD13 ILE 29 HD13 ILE 29 -14.842 -4.542 -6.728 887 H ASP 30 HN ASP 30 -13.709 -8.355 -5.737 888 HA ASP 30 HA ASP 30 -14.306 -10.196 -4.703 889 HB2 ASP 30 HB2 ASP 30 -16.017 -10.713 -6.414 890 HB3 ASP 30 HB1 ASP 30 -14.798 -11.470 -7.420 891 H ASP 31 HN ASP 31 -11.575 -9.607 -6.257 892 HA ASP 31 HA ASP 31 -10.514 -12.255 -5.896 893 HB2 ASP 31 HB2 ASP 31 -9.930 -10.523 -7.890 894 HB3 ASP 31 HB1 ASP 31 -8.751 -10.008 -6.695 895 H GLU 32 HN GLU 32 -8.442 -12.324 -4.801 896 HA GLU 32 HA GLU 32 -8.859 -11.150 -2.178 897 HB2 GLU 32 HB2 GLU 32 -9.006 -13.532 -2.268 898 HB3 GLU 32 HB1 GLU 32 -7.488 -13.682 -3.111 899 HG2 GLU 32 HG2 GLU 32 -6.344 -12.828 -1.141 900 HG3 GLU 32 HG1 GLU 32 -7.893 -12.680 -0.307 901 H VAL 33 HN VAL 33 -7.284 -9.936 -1.221 902 HA VAL 33 HA VAL 33 -4.781 -9.771 -2.636 903 HB VAL 33 HB VAL 33 -4.618 -7.374 -2.654 904 HG11 VAL 33 HG11 VAL 33 -6.482 -6.658 -4.008 905 HG12 VAL 33 HG12 VAL 33 -7.399 -8.032 -3.409 906 HG13 VAL 33 HG13 VAL 33 -5.988 -8.315 -4.453 907 HG21 VAL 33 HG21 VAL 33 -6.296 -5.861 -1.759 908 HG22 VAL 33 HG22 VAL 33 -5.605 -6.863 -0.488 909 HG23 VAL 33 HG23 VAL 33 -7.220 -7.232 -1.155 910 H LYS 34 HN LYS 34 -2.958 -8.932 -1.386 911 HA LYS 34 HA LYS 34 -3.100 -9.651 1.415 912 HB2 LYS 34 HB2 LYS 34 -0.868 -8.860 -0.429 913 HB3 LYS 34 HB1 LYS 34 -0.658 -9.153 1.281 914 HG2 LYS 34 HG2 LYS 34 -1.112 -11.445 1.038 915 HG3 LYS 34 HG1 LYS 34 -1.771 -11.183 -0.581 916 HD2 LYS 34 HD2 LYS 34 0.559 -12.171 -0.520 917 HD3 LYS 34 HD1 LYS 34 0.376 -10.713 -1.494 918 HE2 LYS 34 HE2 LYS 34 2.432 -10.623 -0.175 919 HE3 LYS 34 HE1 LYS 34 1.304 -9.380 0.355 920 HZ1 LYS 34 HZ1 LYS 34 2.298 -10.423 2.235 921 HZ2 LYS 34 HZ2 LYS 34 1.820 -11.964 1.665 922 HZ3 LYS 34 HZ3 LYS 34 0.680 -10.907 2.194 923 H ILE 35 HN ILE 35 -3.642 -8.032 2.811 924 HA ILE 35 HA ILE 35 -2.430 -5.442 2.324 925 HB ILE 35 HB ILE 35 -4.288 -6.391 4.559 926 HG12 ILE 35 HG12 ILE 35 -5.694 -4.413 3.790 927 HG13 ILE 35 HG11 ILE 35 -4.611 -4.290 2.411 928 HG21 ILE 35 HG21 ILE 35 -4.178 -4.164 5.546 929 HG22 ILE 35 HG22 ILE 35 -2.924 -3.714 4.384 930 HG23 ILE 35 HG23 ILE 35 -2.613 -4.978 5.578 931 HD11 ILE 35 HD11 ILE 35 -5.260 -6.542 1.729 932 HD12 ILE 35 HD12 ILE 35 -6.654 -5.457 1.847 933 HD13 ILE 35 HD13 ILE 35 -6.315 -6.616 3.141 934 H ASP 36 HN ASP 36 -0.375 -5.669 2.541 935 HA ASP 36 HA ASP 36 0.670 -7.387 4.681 936 HB2 ASP 36 HB2 ASP 36 1.344 -7.597 2.134 937 HB3 ASP 36 HB1 ASP 36 2.345 -6.212 2.451 938 H LEU 37 HN LEU 37 2.205 -6.445 6.210 939 HA LEU 37 HA LEU 37 1.858 -3.635 6.324 940 HB2 LEU 37 HB2 LEU 37 1.285 -5.590 8.067 941 HB3 LEU 37 HB1 LEU 37 2.937 -5.251 8.529 942 HG LEU 37 HG LEU 37 1.560 -4.001 9.933 943 HD11 LEU 37 HD11 LEU 37 2.184 -1.691 9.421 944 HD12 LEU 37 HD12 LEU 37 2.699 -2.306 7.822 945 HD13 LEU 37 HD13 LEU 37 3.476 -2.902 9.272 946 HD21 LEU 37 HD21 LEU 37 -0.478 -4.091 8.651 947 HD22 LEU 37 HD22 LEU 37 0.168 -2.946 7.483 948 HD23 LEU 37 HD23 LEU 37 -0.144 -2.435 9.148 949 H VAL 38 HN VAL 38 3.493 -2.471 6.017 950 HA VAL 38 HA VAL 38 6.268 -3.384 6.391 951 HB VAL 38 HB VAL 38 5.451 -1.935 3.871 952 HG11 VAL 38 HG11 VAL 38 7.714 -1.469 4.519 953 HG12 VAL 38 HG12 VAL 38 7.720 -2.460 3.064 954 HG13 VAL 38 HG13 VAL 38 8.080 -3.192 4.627 955 HG21 VAL 38 HG21 VAL 38 4.550 -4.148 3.608 956 HG22 VAL 38 HG22 VAL 38 6.031 -4.875 4.199 957 HG23 VAL 38 HG23 VAL 38 6.021 -4.070 2.630 958 H ASP 39 HN ASP 39 7.422 -1.820 7.352 959 HA ASP 39 HA ASP 39 8.061 0.137 8.273 960 HB2 ASP 39 HB2 ASP 39 6.944 1.133 5.672 961 HB3 ASP 39 HB1 ASP 39 7.530 2.274 6.875 962 H GLY 40 HN GLY 40 5.340 -0.884 8.803 963 HA2 GLY 40 HA2 GLY 40 3.867 -0.245 10.480 964 HA3 GLY 40 HA1 GLY 40 4.531 1.383 10.398 965 H LYS 41 HN LYS 41 3.739 0.482 7.247 966 HA LYS 41 HA LYS 41 1.105 1.682 7.614 967 HB2 LYS 41 HB2 LYS 41 1.374 2.853 5.449 968 HB3 LYS 41 HB1 LYS 41 2.548 3.384 6.650 969 HG2 LYS 41 HG2 LYS 41 4.026 1.555 5.304 970 HG3 LYS 41 HG1 LYS 41 2.850 1.962 4.093 971 HD2 LYS 41 HD2 LYS 41 3.344 4.284 4.139 972 HD3 LYS 41 HD1 LYS 41 4.383 4.097 5.549 973 HE2 LYS 41 HE2 LYS 41 5.905 2.717 4.212 974 HE3 LYS 41 HE1 LYS 41 4.912 2.975 2.787 975 HZ1 LYS 41 HZ1 LYS 41 6.706 4.539 2.716 976 HZ2 LYS 41 HZ2 LYS 41 6.488 4.973 4.302 977 HZ3 LYS 41 HZ3 LYS 41 5.368 5.468 3.169 978 H LEU 42 HN LEU 42 -0.306 1.369 5.635 979 HA LEU 42 HA LEU 42 -0.476 -1.493 5.314 980 HB2 LEU 42 HB2 LEU 42 -2.358 0.717 4.496 981 HB3 LEU 42 HB1 LEU 42 -2.686 -1.006 4.346 982 HG LEU 42 HG LEU 42 -1.998 0.285 6.882 983 HD11 LEU 42 HD11 LEU 42 -4.502 0.366 7.341 984 HD12 LEU 42 HD12 LEU 42 -4.779 -0.164 5.679 985 HD13 LEU 42 HD13 LEU 42 -4.043 1.406 5.995 986 HD21 LEU 42 HD21 LEU 42 -3.450 -2.261 6.236 987 HD22 LEU 42 HD22 LEU 42 -3.226 -1.617 7.863 988 HD23 LEU 42 HD23 LEU 42 -1.826 -2.094 6.909 989 H ILE 43 HN ILE 43 0.060 -2.464 3.684 990 HA ILE 43 HA ILE 43 0.743 -0.988 1.216 991 HB ILE 43 HB ILE 43 1.967 -3.488 2.326 992 HG12 ILE 43 HG12 ILE 43 2.649 -1.702 3.717 993 HG13 ILE 43 HG11 ILE 43 3.992 -2.154 2.659 994 HG21 ILE 43 HG21 ILE 43 3.702 -3.233 0.622 995 HG22 ILE 43 HG22 ILE 43 2.782 -1.887 -0.076 996 HG23 ILE 43 HG23 ILE 43 2.093 -3.515 -0.048 997 HD11 ILE 43 HD11 ILE 43 3.824 0.267 3.004 998 HD12 ILE 43 HD12 ILE 43 2.214 0.256 2.314 999 HD13 ILE 43 HD13 ILE 43 3.614 -0.178 1.314 1000 H ILE 44 HN ILE 44 0.022 -1.852 -0.731 1001 HA ILE 44 HA ILE 44 -1.773 -4.144 -0.434 1002 HB ILE 44 HB ILE 44 -2.072 -1.786 -2.305 1003 HG12 ILE 44 HG12 ILE 44 -3.826 -2.743 -0.027 1004 HG13 ILE 44 HG11 ILE 44 -2.804 -1.311 -0.010 1005 HG21 ILE 44 HG21 ILE 44 -3.782 -4.277 -2.107 1006 HG22 ILE 44 HG22 ILE 44 -2.733 -3.840 -3.453 1007 HG23 ILE 44 HG23 ILE 44 -4.158 -2.865 -3.096 1008 HD11 ILE 44 HD11 ILE 44 -5.164 -1.755 -1.825 1009 HD12 ILE 44 HD12 ILE 44 -4.188 -0.286 -1.732 1010 HD13 ILE 44 HD13 ILE 44 -5.175 -0.787 -0.356 1011 H GLU 45 HN GLU 45 -1.028 -5.794 -1.297 1012 HA GLU 45 HA GLU 45 0.355 -5.706 -3.857 1013 HB2 GLU 45 HB2 GLU 45 2.000 -5.844 -2.047 1014 HB3 GLU 45 HB1 GLU 45 1.118 -7.153 -1.296 1015 HG2 GLU 45 HG2 GLU 45 1.813 -8.623 -3.118 1016 HG3 GLU 45 HG1 GLU 45 2.606 -7.255 -3.925 1017 HA PRO 46 HA PRO 46 -3.036 -8.399 -4.143 1018 HB2 PRO 46 HB2 PRO 46 -2.352 -9.469 -6.705 1019 HB3 PRO 46 HB1 PRO 46 -3.513 -8.202 -6.315 1020 HG2 PRO 46 HG2 PRO 46 -1.189 -7.894 -7.625 1021 HG3 PRO 46 HG1 PRO 46 -2.051 -6.556 -6.803 1022 HD2 PRO 46 HD2 PRO 46 0.293 -8.222 -5.905 1023 HD3 PRO 46 HD1 PRO 46 0.089 -6.497 -5.595 1024 H VAL 47 HN VAL 47 -3.608 -10.689 -4.742 1025 HA VAL 47 HA VAL 47 -1.459 -12.436 -3.811 1026 HB VAL 47 HB VAL 47 -4.429 -13.109 -3.876 1027 HG11 VAL 47 HG11 VAL 47 -2.888 -15.028 -4.108 1028 HG12 VAL 47 HG12 VAL 47 -3.761 -15.017 -2.547 1029 HG13 VAL 47 HG13 VAL 47 -2.089 -14.437 -2.634 1030 HG21 VAL 47 HG21 VAL 47 -2.628 -12.414 -1.609 1031 HG22 VAL 47 HG22 VAL 47 -4.200 -13.142 -1.402 1032 HG23 VAL 47 HG23 VAL 47 -4.083 -11.522 -2.108 1033 H ARG 48 HN ARG 48 -0.536 -13.470 -5.290 1034 HA ARG 48 HA ARG 48 -1.630 -13.498 -7.925 1035 HB2 ARG 48 HB2 ARG 48 0.455 -14.712 -8.525 1036 HB3 ARG 48 HB1 ARG 48 0.692 -13.105 -7.851 1037 HG2 ARG 48 HG2 ARG 48 1.364 -14.032 -5.765 1038 HG3 ARG 48 HG1 ARG 48 0.914 -15.655 -6.293 1039 HD2 ARG 48 HD2 ARG 48 2.599 -15.660 -7.924 1040 HD3 ARG 48 HD1 ARG 48 2.984 -13.960 -7.635 1041 HE ARG 48 HE ARG 48 3.397 -14.940 -5.237 1042 HH11 ARG 48 HH11 ARG 48 4.390 -16.500 -8.296 1043 HH12 ARG 48 HH12 ARG 48 5.862 -17.052 -7.670 1044 HH21 ARG 48 HH21 ARG 48 5.388 -15.744 -4.398 1045 HH22 ARG 48 HH22 ARG 48 6.452 -16.616 -5.405 1046 H LYS 49 HN LYS 49 -2.715 -14.954 -8.790 1047 HA LYS 49 HA LYS 49 -3.090 -17.484 -7.408 1048 HB2 LYS 49 HB2 LYS 49 -4.709 -15.974 -9.438 1049 HB3 LYS 49 HB1 LYS 49 -4.911 -17.708 -9.301 1050 HG2 LYS 49 HG2 LYS 49 -6.603 -16.437 -8.043 1051 HG3 LYS 49 HG1 LYS 49 -5.645 -17.488 -7.008 1052 HD2 LYS 49 HD2 LYS 49 -4.296 -15.577 -6.316 1053 HD3 LYS 49 HD1 LYS 49 -5.214 -14.528 -7.387 1054 HE2 LYS 49 HE2 LYS 49 -6.401 -16.119 -5.130 1055 HE3 LYS 49 HE1 LYS 49 -5.905 -14.426 -4.977 1056 HZ1 LYS 49 HZ1 LYS 49 -7.489 -13.827 -6.603 1057 HZ2 LYS 49 HZ2 LYS 49 -8.288 -14.732 -5.431 1058 HZ3 LYS 49 HZ3 LYS 49 -7.909 -15.425 -6.916 1059 H GLU 50 HN GLU 50 -1.495 -18.598 -7.880 1060 HA GLU 50 HA GLU 50 -0.718 -19.006 -10.679 1061 HB2 GLU 50 HB2 GLU 50 0.766 -17.521 -9.265 1062 HB3 GLU 50 HB1 GLU 50 1.048 -18.901 -8.230 1063 HG2 GLU 50 HG2 GLU 50 2.037 -20.083 -10.134 1064 HG3 GLU 50 HG1 GLU 50 1.823 -18.632 -11.118 Start of MODEL 3 1 H1 ASN -16 HT1 ASN -16 16.332 -3.523 -15.497 2 H2 ASN -16 HT2 ASN -16 17.791 -4.365 -15.393 3 H3 ASN -16 HT3 ASN -16 16.349 -5.165 -15.117 4 HA ASN -16 HA ASN -16 15.660 -4.866 -17.384 5 HB2 ASN -16 HB2 ASN -16 16.827 -2.765 -17.880 6 HB3 ASN -16 HB1 ASN -16 18.380 -3.577 -17.748 7 HD21 ASN -16 HD21 ASN -16 19.009 -3.141 -19.808 8 HD22 ASN -16 HD22 ASN -16 18.273 -3.824 -21.203 9 H HIS -15 HN HIS -15 19.163 -5.487 -16.818 10 HA HIS -15 HA HIS -15 18.799 -7.899 -18.383 11 HB2 HIS -15 HB2 HIS -15 21.256 -8.077 -18.395 12 HB3 HIS -15 HB1 HIS -15 20.708 -6.521 -18.999 13 HD1 HIS -15 HD1 HIS -15 21.489 -4.431 -17.684 14 HD2 HIS -15 HD2 HIS -15 22.587 -8.015 -15.897 15 HE1 HIS -15 HE1 HIS -15 23.146 -3.845 -15.907 16 H LYS -14 HN LYS -14 19.165 -9.911 -17.723 17 HA LYS -14 HA LYS -14 19.836 -10.324 -14.919 18 HB2 LYS -14 HB2 LYS -14 17.335 -10.605 -15.426 19 HB3 LYS -14 HB1 LYS -14 17.776 -11.941 -16.466 20 HG2 LYS -14 HG2 LYS -14 18.340 -11.852 -13.492 21 HG3 LYS -14 HG1 LYS -14 16.911 -12.587 -14.205 22 HD2 LYS -14 HD2 LYS -14 18.375 -14.146 -15.450 23 HD3 LYS -14 HD1 LYS -14 19.777 -13.409 -14.676 24 HE2 LYS -14 HE2 LYS -14 17.519 -14.798 -13.244 25 HE3 LYS -14 HE1 LYS -14 19.093 -15.509 -13.587 26 HZ1 LYS -14 HZ1 LYS -14 20.123 -13.820 -12.181 27 HZ2 LYS -14 HZ2 LYS -14 18.929 -14.665 -11.348 28 HZ3 LYS -14 HZ3 LYS -14 18.601 -13.123 -11.895 29 H VAL -13 HN VAL -13 21.904 -10.711 -15.518 30 HA VAL -13 HA VAL -13 22.384 -13.255 -16.921 31 HB VAL -13 HB VAL -13 24.509 -12.286 -17.851 32 HG11 VAL -13 HG11 VAL -13 22.538 -12.474 -19.279 33 HG12 VAL -13 HG12 VAL -13 23.464 -11.033 -19.684 34 HG13 VAL -13 HG13 VAL -13 21.984 -10.889 -18.739 35 HG21 VAL -13 HG21 VAL -13 23.324 -9.663 -16.942 36 HG22 VAL -13 HG22 VAL -13 24.766 -9.841 -17.939 37 HG23 VAL -13 HG23 VAL -13 24.765 -10.428 -16.278 38 H HIS -12 HN HIS -12 22.470 -11.774 -14.080 39 HA HIS -12 HA HIS -12 24.282 -13.488 -12.858 40 HB2 HIS -12 HB2 HIS -12 25.910 -11.802 -13.877 41 HB3 HIS -12 HB1 HIS -12 25.080 -10.537 -12.983 42 HD1 HIS -12 HD1 HIS -12 26.238 -9.945 -10.829 43 HD2 HIS -12 HD2 HIS -12 27.000 -13.857 -12.008 44 HE1 HIS -12 HE1 HIS -12 27.818 -10.900 -9.113 45 H HIS -11 HN HIS -11 24.330 -12.676 -10.456 46 HA HIS -11 HA HIS -11 23.315 -12.032 -8.580 47 HB2 HIS -11 HB2 HIS -11 21.749 -10.124 -10.326 48 HB3 HIS -11 HB1 HIS -11 21.633 -10.168 -8.573 49 HD1 HIS -11 HD1 HIS -11 23.070 -8.133 -10.994 50 HD2 HIS -11 HD2 HIS -11 24.554 -9.928 -7.567 51 HE1 HIS -11 HE1 HIS -11 25.091 -6.802 -10.330 52 H HIS -10 HN HIS -10 22.162 -13.475 -7.609 53 HA HIS -10 HA HIS -10 19.755 -14.427 -8.895 54 HB2 HIS -10 HB2 HIS -10 21.157 -15.366 -6.378 55 HB3 HIS -10 HB1 HIS -10 19.633 -16.043 -6.956 56 HD1 HIS -10 HD1 HIS -10 23.302 -16.228 -7.505 57 HD2 HIS -10 HD2 HIS -10 19.817 -17.415 -9.430 58 HE1 HIS -10 HE1 HIS -10 23.999 -17.880 -9.267 59 H HIS -9 HN HIS -9 18.593 -12.631 -8.842 60 HA HIS -9 HA HIS -9 17.749 -11.691 -6.230 61 HB2 HIS -9 HB2 HIS -9 16.957 -9.628 -7.403 62 HB3 HIS -9 HB1 HIS -9 18.690 -9.883 -7.513 63 HD1 HIS -9 HD1 HIS -9 15.695 -9.319 -9.621 64 HD2 HIS -9 HD2 HIS -9 19.572 -10.724 -10.127 65 HE1 HIS -9 HE1 HIS -9 16.157 -9.232 -12.091 66 H HIS -8 HN HIS -8 15.722 -11.843 -5.617 67 HA HIS -8 HA HIS -8 13.794 -12.904 -7.548 68 HB2 HIS -8 HB2 HIS -8 14.692 -14.751 -6.150 69 HB3 HIS -8 HB1 HIS -8 14.224 -13.869 -4.702 70 HD1 HIS -8 HD1 HIS -8 11.925 -14.423 -3.799 71 HD2 HIS -8 HD2 HIS -8 12.401 -15.571 -7.760 72 HE1 HIS -8 HE1 HIS -8 9.843 -15.702 -4.412 73 H HIS -7 HN HIS -7 12.165 -11.496 -7.656 74 HA HIS -7 HA HIS -7 11.695 -9.777 -5.400 75 HB2 HIS -7 HB2 HIS -7 9.970 -8.645 -6.818 76 HB3 HIS -7 HB1 HIS -7 11.540 -8.679 -7.587 77 HD1 HIS -7 HD1 HIS -7 11.721 -10.029 -9.823 78 HD2 HIS -7 HD2 HIS -7 7.947 -10.059 -8.076 79 HE1 HIS -7 HE1 HIS -7 10.131 -10.894 -11.584 80 H MET -6 HN MET -6 9.322 -9.495 -4.736 81 HA MET -6 HA MET -6 7.585 -10.308 -3.673 82 HB2 MET -6 HB2 MET -6 7.904 -12.744 -5.431 83 HB3 MET -6 HB1 MET -6 6.712 -12.695 -4.141 84 HG2 MET -6 HG2 MET -6 5.641 -10.791 -5.174 85 HG3 MET -6 HG1 MET -6 6.868 -10.757 -6.436 86 HE1 MET -6 HE1 MET -6 4.748 -10.676 -8.118 87 HE2 MET -6 HE2 MET -6 3.641 -10.855 -6.755 88 HE3 MET -6 HE3 MET -6 3.499 -11.922 -8.149 89 H SER -5 HN SER -5 8.993 -9.964 -2.148 90 HA SER -5 HA SER -5 9.145 -12.174 -0.236 91 HB2 SER -5 HB2 SER -5 11.569 -10.420 -0.821 92 HB3 SER -5 HB1 SER -5 11.499 -11.744 0.341 93 HG SER -5 HG SER -5 10.678 -12.569 -2.046 94 H ASP -4 HN ASP -4 9.076 -8.918 -1.182 95 HA ASP -4 HA ASP -4 8.966 -7.592 1.314 96 HB2 ASP -4 HB2 ASP -4 8.324 -5.707 -0.307 97 HB3 ASP -4 HB1 ASP -4 9.914 -6.426 -0.529 98 H ASP -3 HN ASP -3 6.882 -9.372 -0.589 99 HA ASP -3 HA ASP -3 4.438 -8.145 0.449 100 HB2 ASP -3 HB2 ASP -3 3.300 -9.124 -1.391 101 HB3 ASP -3 HB1 ASP -3 4.733 -8.342 -2.054 102 H ASP -2 HN ASP -2 6.499 -10.254 1.365 103 HA ASP -2 HA ASP -2 5.676 -12.856 1.353 104 HB2 ASP -2 HB2 ASP -2 7.838 -12.128 2.195 105 HB3 ASP -2 HB1 ASP -2 7.066 -11.468 3.630 106 H ASP -1 HN ASP -1 4.710 -10.474 3.877 107 HA ASP -1 HA ASP -1 3.406 -12.596 5.324 108 HB2 ASP -1 HB2 ASP -1 4.525 -10.515 6.376 109 HB3 ASP -1 HB1 ASP -1 3.036 -9.676 5.955 110 H LYS 0 HN LYS 0 1.326 -13.014 5.510 111 HA LYS 0 HA LYS 0 -0.554 -11.476 3.900 112 HB2 LYS 0 HB2 LYS 0 -1.507 -13.598 3.003 113 HB3 LYS 0 HB1 LYS 0 0.100 -13.222 2.410 114 HG2 LYS 0 HG2 LYS 0 1.049 -14.856 3.965 115 HG3 LYS 0 HG1 LYS 0 -0.580 -15.239 4.534 116 HD2 LYS 0 HD2 LYS 0 -1.211 -15.966 2.297 117 HD3 LYS 0 HD1 LYS 0 0.382 -15.528 1.688 118 HE2 LYS 0 HE2 LYS 0 1.419 -17.202 3.108 119 HE3 LYS 0 HE1 LYS 0 -0.142 -17.613 3.804 120 HZ1 LYS 0 HZ1 LYS 0 0.642 -17.964 0.959 121 HZ2 LYS 0 HZ2 LYS 0 -0.873 -18.343 1.612 122 HZ3 LYS 0 HZ3 LYS 0 0.484 -19.193 2.105 123 H GLY 1 HN GLY 1 -0.013 -11.760 6.755 124 HA2 GLY 1 HA2 GLY 1 -1.964 -13.379 7.990 125 HA3 GLY 1 HA1 GLY 1 -1.208 -11.972 8.719 126 H ILE 2 HN ILE 2 -2.013 -10.017 6.881 127 HA ILE 2 HA ILE 2 -4.869 -10.012 7.427 128 HB ILE 2 HB ILE 2 -3.132 -7.686 6.523 129 HG12 ILE 2 HG12 ILE 2 -4.228 -8.287 9.289 130 HG13 ILE 2 HG11 ILE 2 -2.552 -8.505 8.811 131 HG21 ILE 2 HG21 ILE 2 -5.504 -7.488 5.892 132 HG22 ILE 2 HG22 ILE 2 -5.085 -6.309 7.138 133 HG23 ILE 2 HG23 ILE 2 -5.976 -7.770 7.568 134 HD11 ILE 2 HD11 ILE 2 -2.853 -6.452 10.072 135 HD12 ILE 2 HD12 ILE 2 -4.046 -5.890 8.902 136 HD13 ILE 2 HD13 ILE 2 -2.362 -6.095 8.416 137 H HIS 3 HN HIS 3 -5.551 -11.294 5.827 138 HA HIS 3 HA HIS 3 -5.103 -10.272 3.141 139 HB2 HIS 3 HB2 HIS 3 -5.729 -12.574 2.306 140 HB3 HIS 3 HB1 HIS 3 -4.224 -12.504 3.204 141 HD1 HIS 3 HD1 HIS 3 -4.069 -13.949 5.319 142 HD2 HIS 3 HD2 HIS 3 -7.854 -13.892 3.616 143 HE1 HIS 3 HE1 HIS 3 -5.388 -15.757 6.486 144 H SER 4 HN SER 4 -6.736 -9.832 1.885 145 HA SER 4 HA SER 4 -9.438 -10.258 2.755 146 HB2 SER 4 HB2 SER 4 -8.064 -7.608 2.673 147 HB3 SER 4 HB1 SER 4 -9.794 -7.659 2.399 148 HG SER 4 HG SER 4 -8.662 -9.040 4.551 149 H SER 5 HN SER 5 -10.515 -8.327 0.853 150 HA SER 5 HA SER 5 -9.284 -8.877 -1.639 151 HB2 SER 5 HB2 SER 5 -11.383 -9.987 -2.546 152 HB3 SER 5 HB1 SER 5 -10.453 -10.980 -1.425 153 HG SER 5 HG SER 5 -11.852 -10.370 0.194 154 H VAL 6 HN VAL 6 -10.702 -7.915 -3.367 155 HA VAL 6 HA VAL 6 -11.666 -5.305 -2.432 156 HB VAL 6 HB VAL 6 -11.220 -6.297 -5.261 157 HG11 VAL 6 HG11 VAL 6 -11.542 -3.502 -4.176 158 HG12 VAL 6 HG12 VAL 6 -12.725 -4.400 -5.125 159 HG13 VAL 6 HG13 VAL 6 -11.191 -3.923 -5.853 160 HG21 VAL 6 HG21 VAL 6 -9.142 -6.351 -4.036 161 HG22 VAL 6 HG22 VAL 6 -9.433 -4.694 -3.498 162 HG23 VAL 6 HG23 VAL 6 -9.126 -5.020 -5.212 163 H LYS 7 HN LYS 7 -13.841 -4.894 -2.443 164 HA LYS 7 HA LYS 7 -15.397 -6.702 -4.114 165 HB2 LYS 7 HB2 LYS 7 -16.162 -5.660 -1.397 166 HB3 LYS 7 HB1 LYS 7 -17.362 -6.249 -2.571 167 HG2 LYS 7 HG2 LYS 7 -17.060 -8.103 -1.232 168 HG3 LYS 7 HG1 LYS 7 -15.887 -8.376 -2.521 169 HD2 LYS 7 HD2 LYS 7 -14.086 -7.763 -1.162 170 HD3 LYS 7 HD1 LYS 7 -15.145 -7.074 0.073 171 HE2 LYS 7 HE2 LYS 7 -14.346 -9.241 0.813 172 HE3 LYS 7 HE1 LYS 7 -16.079 -9.310 0.510 173 HZ1 LYS 7 HZ1 LYS 7 -15.536 -10.411 -1.687 174 HZ2 LYS 7 HZ2 LYS 7 -14.999 -11.251 -0.345 175 HZ3 LYS 7 HZ3 LYS 7 -13.908 -10.348 -1.215 176 H ARG 8 HN ARG 8 -17.675 -5.652 -4.505 177 HA ARG 8 HA ARG 8 -16.981 -3.107 -5.774 178 HB2 ARG 8 HB2 ARG 8 -17.859 -5.108 -7.018 179 HB3 ARG 8 HB1 ARG 8 -19.424 -4.721 -6.297 180 HG2 ARG 8 HG2 ARG 8 -19.279 -2.495 -7.262 181 HG3 ARG 8 HG1 ARG 8 -17.751 -2.931 -8.044 182 HD2 ARG 8 HD2 ARG 8 -20.393 -4.157 -8.322 183 HD3 ARG 8 HD1 ARG 8 -19.637 -3.165 -9.591 184 HE ARG 8 HE ARG 8 -18.957 -5.902 -8.753 185 HH11 ARG 8 HH11 ARG 8 -18.241 -3.228 -10.975 186 HH12 ARG 8 HH12 ARG 8 -17.619 -4.215 -12.205 187 HH21 ARG 8 HH21 ARG 8 -18.060 -7.285 -10.489 188 HH22 ARG 8 HH22 ARG 8 -17.546 -6.571 -11.936 189 H TRP 9 HN TRP 9 -17.456 -1.464 -4.470 190 HA TRP 9 HA TRP 9 -19.931 -1.459 -2.909 191 HB2 TRP 9 HB2 TRP 9 -17.741 -0.693 -1.872 192 HB3 TRP 9 HB1 TRP 9 -17.694 0.568 -3.059 193 HD1 TRP 9 HD1 TRP 9 -21.151 0.286 -1.729 194 HE1 TRP 9 HE1 TRP 9 -21.575 2.091 -0.015 195 HE3 TRP 9 HE3 TRP 9 -16.321 2.040 -0.946 196 HZ2 TRP 9 HZ2 TRP 9 -20.240 4.043 1.358 197 HZ3 TRP 9 HZ3 TRP 9 -16.063 3.892 0.558 198 HH2 TRP 9 HH2 TRP 9 -18.024 4.864 1.729 199 H GLY 10 HN GLY 10 -21.466 -1.283 -4.447 200 HA2 GLY 10 HA2 GLY 10 -22.893 -0.088 -5.803 201 HA3 GLY 10 HA1 GLY 10 -21.793 1.294 -5.684 202 H ASN 11 HN ASN 11 -20.901 1.799 -7.548 203 HA ASN 11 HA ASN 11 -20.170 -0.422 -9.322 204 HB2 ASN 11 HB2 ASN 11 -20.769 2.468 -9.960 205 HB3 ASN 11 HB1 ASN 11 -20.065 1.351 -11.124 206 HD21 ASN 11 HD21 ASN 11 -21.347 -0.350 -11.916 207 HD22 ASN 11 HD22 ASN 11 -23.049 -0.349 -11.783 208 H SER 12 HN SER 12 -18.443 0.531 -6.956 209 HA SER 12 HA SER 12 -16.162 1.105 -8.560 210 HB2 SER 12 HB2 SER 12 -17.050 2.640 -6.127 211 HB3 SER 12 HB1 SER 12 -15.468 2.824 -6.915 212 HG SER 12 HG SER 12 -17.326 3.018 -8.770 213 HA PRO 13 HA PRO 13 -14.671 -2.197 -5.958 214 HB2 PRO 13 HB2 PRO 13 -11.979 -1.613 -6.389 215 HB3 PRO 13 HB1 PRO 13 -12.964 -2.687 -7.379 216 HG2 PRO 13 HG2 PRO 13 -12.101 0.088 -7.885 217 HG3 PRO 13 HG1 PRO 13 -12.508 -1.196 -9.029 218 HD2 PRO 13 HD2 PRO 13 -14.127 0.949 -8.453 219 HD3 PRO 13 HD1 PRO 13 -14.715 -0.597 -9.085 220 H ALA 14 HN ALA 14 -14.402 -2.236 -3.831 221 HA ALA 14 HA ALA 14 -12.869 -0.130 -2.538 222 HB1 ALA 14 HB1 ALA 14 -15.578 -1.087 -1.632 223 HB2 ALA 14 HB2 ALA 14 -15.241 0.466 -2.396 224 HB3 ALA 14 HB3 ALA 14 -14.554 0.097 -0.815 225 H VAL 15 HN VAL 15 -11.670 -0.861 -0.842 226 HA VAL 15 HA VAL 15 -11.984 -3.678 -0.110 227 HB VAL 15 HB VAL 15 -9.645 -3.676 0.648 228 HG11 VAL 15 HG11 VAL 15 -9.967 -2.861 -2.185 229 HG12 VAL 15 HG12 VAL 15 -9.983 -4.489 -1.490 230 HG13 VAL 15 HG13 VAL 15 -8.498 -3.540 -1.484 231 HG21 VAL 15 HG21 VAL 15 -9.317 -1.388 1.269 232 HG22 VAL 15 HG22 VAL 15 -9.533 -0.864 -0.392 233 HG23 VAL 15 HG23 VAL 15 -8.116 -1.822 0.049 234 H ARG 16 HN ARG 16 -11.944 -4.217 2.047 235 HA ARG 16 HA ARG 16 -12.897 -2.103 3.763 236 HB2 ARG 16 HB2 ARG 16 -12.807 -5.079 3.981 237 HB3 ARG 16 HB1 ARG 16 -13.374 -4.043 5.301 238 HG2 ARG 16 HG2 ARG 16 -15.091 -3.216 3.901 239 HG3 ARG 16 HG1 ARG 16 -14.485 -4.158 2.526 240 HD2 ARG 16 HD2 ARG 16 -14.960 -6.196 3.686 241 HD3 ARG 16 HD1 ARG 16 -15.478 -5.313 5.124 242 HE ARG 16 HE ARG 16 -17.177 -4.309 3.518 243 HH11 ARG 16 HH11 ARG 16 -16.152 -7.693 3.522 244 HH12 ARG 16 HH12 ARG 16 -17.550 -8.259 2.711 245 HH21 ARG 16 HH21 ARG 16 -19.122 -5.102 2.442 246 HH22 ARG 16 HH22 ARG 16 -19.241 -6.770 2.089 247 H ILE 17 HN ILE 17 -11.639 -1.149 5.170 248 HA ILE 17 HA ILE 17 -9.010 -2.278 5.673 249 HB ILE 17 HB ILE 17 -10.118 0.504 6.237 250 HG12 ILE 17 HG12 ILE 17 -7.983 1.180 4.947 251 HG13 ILE 17 HG11 ILE 17 -7.936 -0.493 4.424 252 HG21 ILE 17 HG21 ILE 17 -7.999 1.149 7.130 253 HG22 ILE 17 HG22 ILE 17 -7.433 -0.531 7.047 254 HG23 ILE 17 HG23 ILE 17 -8.762 -0.093 8.143 255 HD11 ILE 17 HD11 ILE 17 -8.962 1.098 2.848 256 HD12 ILE 17 HD12 ILE 17 -10.230 1.345 4.048 257 HD13 ILE 17 HD13 ILE 17 -9.987 -0.265 3.308 258 HA PRO 18 HA PRO 18 -10.576 -3.989 9.459 259 HB2 PRO 18 HB2 PRO 18 -8.062 -4.300 10.661 260 HB3 PRO 18 HB1 PRO 18 -8.865 -5.483 9.636 261 HG2 PRO 18 HG2 PRO 18 -6.703 -3.569 8.959 262 HG3 PRO 18 HG1 PRO 18 -7.027 -5.181 8.309 263 HD2 PRO 18 HD2 PRO 18 -7.564 -2.884 6.975 264 HD3 PRO 18 HD1 PRO 18 -8.496 -4.370 6.724 265 H ALA 19 HN ALA 19 -11.312 -3.034 11.210 266 HA ALA 19 HA ALA 19 -10.863 -0.336 11.830 267 HB1 ALA 19 HB1 ALA 19 -12.228 -0.744 13.816 268 HB2 ALA 19 HB2 ALA 19 -12.068 -2.484 13.586 269 HB3 ALA 19 HB3 ALA 19 -12.934 -1.512 12.398 270 H THR 20 HN THR 20 -9.407 -3.256 12.982 271 HA THR 20 HA THR 20 -8.079 -2.394 15.269 272 HB THR 20 HB THR 20 -6.977 -4.327 13.219 273 HG1 THR 20 HG1 THR 20 -8.999 -4.772 15.197 274 HG21 THR 20 HG21 THR 20 -6.920 -4.303 16.236 275 HG22 THR 20 HG22 THR 20 -5.576 -3.828 15.202 276 HG23 THR 20 HG23 THR 20 -6.154 -5.502 15.192 277 H LEU 21 HN LEU 21 -7.287 -2.078 11.819 278 HA LEU 21 HA LEU 21 -4.646 -1.039 12.313 279 HB2 LEU 21 HB2 LEU 21 -6.247 -1.682 9.896 280 HB3 LEU 21 HB1 LEU 21 -4.871 -0.611 9.749 281 HG LEU 21 HG LEU 21 -4.513 -2.961 9.197 282 HD11 LEU 21 HD11 LEU 21 -2.607 -1.529 9.701 283 HD12 LEU 21 HD12 LEU 21 -2.295 -3.077 10.499 284 HD13 LEU 21 HD13 LEU 21 -2.878 -1.703 11.428 285 HD21 LEU 21 HD21 LEU 21 -4.058 -4.547 11.098 286 HD22 LEU 21 HD22 LEU 21 -5.757 -4.067 10.926 287 HD23 LEU 21 HD23 LEU 21 -4.744 -3.297 12.151 288 H MET 22 HN MET 22 -7.711 0.034 11.412 289 HA MET 22 HA MET 22 -7.261 2.731 10.856 290 HB2 MET 22 HB2 MET 22 -9.517 1.527 12.458 291 HB3 MET 22 HB1 MET 22 -9.517 3.192 11.922 292 HG2 MET 22 HG2 MET 22 -9.402 0.812 10.077 293 HG3 MET 22 HG1 MET 22 -10.879 1.651 10.546 294 HE1 MET 22 HE1 MET 22 -10.476 5.149 9.033 295 HE2 MET 22 HE2 MET 22 -10.019 4.623 10.656 296 HE3 MET 22 HE3 MET 22 -11.511 4.030 9.932 297 H GLN 23 HN GLN 23 -7.878 1.323 13.939 298 HA GLN 23 HA GLN 23 -7.213 3.532 15.544 299 HB2 GLN 23 HB2 GLN 23 -7.097 0.591 16.112 300 HB3 GLN 23 HB1 GLN 23 -6.938 1.854 17.327 301 HG2 GLN 23 HG2 GLN 23 -9.110 2.673 16.758 302 HG3 GLN 23 HG1 GLN 23 -9.298 1.418 15.544 303 HE21 GLN 23 HE21 GLN 23 -11.098 0.583 16.549 304 HE22 GLN 23 HE22 GLN 23 -11.017 -0.350 18.000 305 H ALA 24 HN ALA 24 -5.304 0.995 14.132 306 HA ALA 24 HA ALA 24 -3.017 1.377 15.832 307 HB1 ALA 24 HB1 ALA 24 -3.082 0.036 13.135 308 HB2 ALA 24 HB2 ALA 24 -3.446 -0.758 14.667 309 HB3 ALA 24 HB3 ALA 24 -1.824 -0.133 14.357 310 H LEU 25 HN LEU 25 -3.958 2.591 12.736 311 HA LEU 25 HA LEU 25 -1.443 4.030 12.491 312 HB2 LEU 25 HB2 LEU 25 -3.690 3.591 10.571 313 HB3 LEU 25 HB1 LEU 25 -2.250 4.534 10.210 314 HG LEU 25 HG LEU 25 -2.206 1.629 11.005 315 HD11 LEU 25 HD11 LEU 25 -3.374 1.861 8.951 316 HD12 LEU 25 HD12 LEU 25 -1.755 1.218 8.626 317 HD13 LEU 25 HD13 LEU 25 -2.126 2.918 8.313 318 HD21 LEU 25 HD21 LEU 25 -0.100 3.458 9.844 319 HD22 LEU 25 HD22 LEU 25 0.101 1.734 10.121 320 HD23 LEU 25 HD23 LEU 25 -0.130 2.818 11.484 321 H ASN 26 HN ASN 26 -4.273 4.481 13.909 322 HA ASN 26 HA ASN 26 -5.326 6.162 14.905 323 HB2 ASN 26 HB2 ASN 26 -2.832 7.696 14.183 324 HB3 ASN 26 HB1 ASN 26 -4.133 8.380 15.151 325 HD21 ASN 26 HD21 ASN 26 -1.427 6.215 15.092 326 HD22 ASN 26 HD22 ASN 26 -1.478 5.808 16.763 327 H LEU 27 HN LEU 27 -6.037 5.711 12.135 328 HA LEU 27 HA LEU 27 -6.718 8.412 11.331 329 HB2 LEU 27 HB2 LEU 27 -7.238 7.561 9.220 330 HB3 LEU 27 HB1 LEU 27 -5.596 7.103 9.615 331 HG LEU 27 HG LEU 27 -7.755 5.096 10.076 332 HD11 LEU 27 HD11 LEU 27 -7.726 4.462 7.760 333 HD12 LEU 27 HD12 LEU 27 -6.622 5.816 7.387 334 HD13 LEU 27 HD13 LEU 27 -8.271 6.135 7.944 335 HD21 LEU 27 HD21 LEU 27 -5.424 4.570 10.603 336 HD22 LEU 27 HD22 LEU 27 -4.962 4.983 8.951 337 HD23 LEU 27 HD23 LEU 27 -6.003 3.594 9.253 338 H ASN 28 HN ASN 28 -8.841 8.693 10.477 339 HA ASN 28 HA ASN 28 -10.864 6.987 11.743 340 HB2 ASN 28 HB2 ASN 28 -12.299 9.053 11.955 341 HB3 ASN 28 HB1 ASN 28 -10.978 8.966 13.081 342 HD21 ASN 28 HD21 ASN 28 -10.808 10.031 9.646 343 HD22 ASN 28 HD22 ASN 28 -10.375 11.643 10.027 344 H ILE 29 HN ILE 29 -13.096 7.658 10.768 345 HA ILE 29 HA ILE 29 -13.052 7.057 8.018 346 HB ILE 29 HB ILE 29 -15.162 8.001 9.914 347 HG12 ILE 29 HG12 ILE 29 -14.436 5.682 10.192 348 HG13 ILE 29 HG11 ILE 29 -16.099 5.737 9.619 349 HG21 ILE 29 HG21 ILE 29 -15.682 7.239 7.015 350 HG22 ILE 29 HG22 ILE 29 -15.747 8.871 7.667 351 HG23 ILE 29 HG23 ILE 29 -16.912 7.672 8.216 352 HD11 ILE 29 HD11 ILE 29 -13.643 5.116 7.988 353 HD12 ILE 29 HD12 ILE 29 -15.283 5.233 7.360 354 HD13 ILE 29 HD13 ILE 29 -14.878 3.982 8.536 355 H ASP 30 HN ASP 30 -13.310 8.264 6.240 356 HA ASP 30 HA ASP 30 -13.258 9.884 4.778 357 HB2 ASP 30 HB2 ASP 30 -15.186 10.783 6.397 358 HB3 ASP 30 HB1 ASP 30 -14.006 12.055 6.691 359 H ASP 31 HN ASP 31 -11.056 9.197 6.480 360 HA ASP 31 HA ASP 31 -9.503 11.594 6.791 361 HB2 ASP 31 HB2 ASP 31 -9.500 9.445 8.236 362 HB3 ASP 31 HB1 ASP 31 -8.494 8.775 6.963 363 H GLU 32 HN GLU 32 -8.011 12.179 5.442 364 HA GLU 32 HA GLU 32 -8.159 11.362 2.726 365 HB2 GLU 32 HB2 GLU 32 -8.003 13.662 3.377 366 HB3 GLU 32 HB1 GLU 32 -6.521 13.391 4.255 367 HG2 GLU 32 HG2 GLU 32 -5.377 12.964 2.166 368 HG3 GLU 32 HG1 GLU 32 -6.897 13.169 1.285 369 H VAL 33 HN VAL 33 -6.727 10.088 1.595 370 HA VAL 33 HA VAL 33 -4.276 9.320 2.944 371 HB VAL 33 HB VAL 33 -4.462 6.968 2.561 372 HG11 VAL 33 HG11 VAL 33 -6.366 6.299 3.813 373 HG12 VAL 33 HG12 VAL 33 -7.143 7.825 3.393 374 HG13 VAL 33 HG13 VAL 33 -5.700 7.833 4.466 375 HG21 VAL 33 HG21 VAL 33 -6.314 5.891 1.457 376 HG22 VAL 33 HG22 VAL 33 -5.483 7.031 0.385 377 HG23 VAL 33 HG23 VAL 33 -7.038 7.477 1.155 378 H LYS 34 HN LYS 34 -2.617 8.663 1.719 379 HA LYS 34 HA LYS 34 -2.783 9.532 -1.088 380 HB2 LYS 34 HB2 LYS 34 -0.387 9.210 0.720 381 HB3 LYS 34 HB1 LYS 34 -0.284 9.606 -0.987 382 HG2 LYS 34 HG2 LYS 34 -1.558 11.658 -0.576 383 HG3 LYS 34 HG1 LYS 34 -1.620 11.262 1.136 384 HD2 LYS 34 HD2 LYS 34 0.916 11.657 -0.442 385 HD3 LYS 34 HD1 LYS 34 0.150 12.913 0.531 386 HE2 LYS 34 HE2 LYS 34 0.479 11.473 2.527 387 HE3 LYS 34 HE1 LYS 34 1.283 10.289 1.489 388 HZ1 LYS 34 HZ1 LYS 34 2.192 13.071 1.956 389 HZ2 LYS 34 HZ2 LYS 34 2.930 11.912 0.939 390 HZ3 LYS 34 HZ3 LYS 34 2.934 11.671 2.576 391 H ILE 35 HN ILE 35 -2.521 8.143 -2.703 392 HA ILE 35 HA ILE 35 -1.615 5.430 -2.071 393 HB ILE 35 HB ILE 35 -3.515 6.280 -4.300 394 HG12 ILE 35 HG12 ILE 35 -5.174 4.718 -3.060 395 HG13 ILE 35 HG11 ILE 35 -4.113 4.906 -1.677 396 HG21 ILE 35 HG21 ILE 35 -3.824 3.886 -4.715 397 HG22 ILE 35 HG22 ILE 35 -2.607 3.533 -3.489 398 HG23 ILE 35 HG23 ILE 35 -2.156 4.407 -4.954 399 HD11 ILE 35 HD11 ILE 35 -6.011 6.374 -1.528 400 HD12 ILE 35 HD12 ILE 35 -5.614 7.107 -3.083 401 HD13 ILE 35 HD13 ILE 35 -4.535 7.322 -1.700 402 H ASP 36 HN ASP 36 0.350 5.127 -2.928 403 HA ASP 36 HA ASP 36 0.873 6.313 -5.570 404 HB2 ASP 36 HB2 ASP 36 2.216 7.465 -3.728 405 HB3 ASP 36 HB1 ASP 36 3.005 5.957 -3.431 406 H LEU 37 HN LEU 37 1.875 4.899 -7.092 407 HA LEU 37 HA LEU 37 1.744 2.208 -6.262 408 HB2 LEU 37 HB2 LEU 37 0.657 3.382 -8.317 409 HB3 LEU 37 HB1 LEU 37 2.282 3.309 -8.970 410 HG LEU 37 HG LEU 37 0.975 1.509 -9.840 411 HD11 LEU 37 HD11 LEU 37 2.946 0.586 -7.864 412 HD12 LEU 37 HD12 LEU 37 3.271 1.125 -9.501 413 HD13 LEU 37 HD13 LEU 37 2.365 -0.396 -9.231 414 HD21 LEU 37 HD21 LEU 37 -0.070 -0.147 -8.513 415 HD22 LEU 37 HD22 LEU 37 -0.595 1.447 -7.931 416 HD23 LEU 37 HD23 LEU 37 0.610 0.527 -7.039 417 H VAL 38 HN VAL 38 3.460 1.210 -5.949 418 HA VAL 38 HA VAL 38 6.088 2.012 -7.031 419 HB VAL 38 HB VAL 38 5.756 1.388 -4.069 420 HG11 VAL 38 HG11 VAL 38 8.137 1.952 -3.883 421 HG12 VAL 38 HG12 VAL 38 8.192 2.227 -5.625 422 HG13 VAL 38 HG13 VAL 38 7.865 0.613 -5.006 423 HG21 VAL 38 HG21 VAL 38 6.299 3.685 -3.568 424 HG22 VAL 38 HG22 VAL 38 4.943 3.698 -4.703 425 HG23 VAL 38 HG23 VAL 38 6.575 4.035 -5.264 426 H ASP 39 HN ASP 39 6.560 0.236 -8.143 427 HA ASP 39 HA ASP 39 6.847 -1.888 -8.775 428 HB2 ASP 39 HB2 ASP 39 8.720 -1.716 -7.189 429 HB3 ASP 39 HB1 ASP 39 7.684 -2.289 -5.889 430 H GLY 40 HN GLY 40 4.451 -1.771 -8.910 431 HA2 GLY 40 HA2 GLY 40 2.502 -2.992 -9.010 432 HA3 GLY 40 HA1 GLY 40 3.374 -4.314 -8.264 433 H LYS 41 HN LYS 41 3.689 -1.819 -6.131 434 HA LYS 41 HA LYS 41 1.572 -2.930 -4.442 435 HB2 LYS 41 HB2 LYS 41 3.654 -0.906 -3.712 436 HB3 LYS 41 HB1 LYS 41 2.644 -1.837 -2.628 437 HG2 LYS 41 HG2 LYS 41 4.670 -3.011 -4.439 438 HG3 LYS 41 HG1 LYS 41 5.040 -2.495 -2.791 439 HD2 LYS 41 HD2 LYS 41 3.346 -4.107 -1.999 440 HD3 LYS 41 HD1 LYS 41 3.105 -4.621 -3.678 441 HE2 LYS 41 HE2 LYS 41 5.771 -4.532 -2.390 442 HE3 LYS 41 HE1 LYS 41 4.758 -5.996 -2.315 443 HZ1 LYS 41 HZ1 LYS 41 5.655 -4.656 -4.849 444 HZ2 LYS 41 HZ2 LYS 41 4.891 -6.163 -4.654 445 HZ3 LYS 41 HZ3 LYS 41 6.462 -5.923 -4.063 446 H LEU 42 HN LEU 42 -0.088 -1.763 -3.790 447 HA LEU 42 HA LEU 42 -0.198 1.065 -4.463 448 HB2 LEU 42 HB2 LEU 42 -2.257 -0.738 -3.129 449 HB3 LEU 42 HB1 LEU 42 -2.488 0.965 -3.445 450 HG LEU 42 HG LEU 42 -1.796 -0.805 -5.663 451 HD11 LEU 42 HD11 LEU 42 -3.682 -1.969 -4.493 452 HD12 LEU 42 HD12 LEU 42 -4.271 -1.270 -5.998 453 HD13 LEU 42 HD13 LEU 42 -4.593 -0.459 -4.466 454 HD21 LEU 42 HD21 LEU 42 -3.539 1.644 -5.408 455 HD22 LEU 42 HD22 LEU 42 -3.350 0.729 -6.891 456 HD23 LEU 42 HD23 LEU 42 -1.966 1.556 -6.209 457 H ILE 43 HN ILE 43 1.017 2.063 -3.295 458 HA ILE 43 HA ILE 43 1.605 1.284 -0.565 459 HB ILE 43 HB ILE 43 2.596 3.454 -2.357 460 HG12 ILE 43 HG12 ILE 43 3.345 1.293 -3.062 461 HG13 ILE 43 HG11 ILE 43 4.710 2.204 -2.422 462 HG21 ILE 43 HG21 ILE 43 3.540 2.837 0.402 463 HG22 ILE 43 HG22 ILE 43 2.778 4.340 -0.189 464 HG23 ILE 43 HG23 ILE 43 4.391 3.890 -0.748 465 HD11 ILE 43 HD11 ILE 43 4.790 -0.170 -1.763 466 HD12 ILE 43 HD12 ILE 43 3.228 -0.010 -0.993 467 HD13 ILE 43 HD13 ILE 43 4.612 0.882 -0.361 468 H ILE 44 HN ILE 44 0.834 2.249 1.191 469 HA ILE 44 HA ILE 44 -1.074 4.454 0.771 470 HB ILE 44 HB ILE 44 -1.465 2.046 2.523 471 HG12 ILE 44 HG12 ILE 44 -1.785 1.438 0.167 472 HG13 ILE 44 HG11 ILE 44 -3.310 1.375 1.034 473 HG21 ILE 44 HG21 ILE 44 -2.500 3.997 3.514 474 HG22 ILE 44 HG22 ILE 44 -3.762 2.920 2.908 475 HG23 ILE 44 HG23 ILE 44 -3.328 4.368 2.002 476 HD11 ILE 44 HD11 ILE 44 -2.394 3.572 -0.805 477 HD12 ILE 44 HD12 ILE 44 -3.926 3.535 0.068 478 HD13 ILE 44 HD13 ILE 44 -3.588 2.326 -1.173 479 H GLU 45 HN GLU 45 -0.575 6.063 1.990 480 HA GLU 45 HA GLU 45 0.474 5.680 4.708 481 HB2 GLU 45 HB2 GLU 45 2.324 6.499 3.331 482 HB3 GLU 45 HB1 GLU 45 1.298 7.673 2.552 483 HG2 GLU 45 HG2 GLU 45 2.730 8.893 3.993 484 HG3 GLU 45 HG1 GLU 45 1.177 8.869 4.795 485 HA PRO 46 HA PRO 46 -3.193 8.107 5.078 486 HB2 PRO 46 HB2 PRO 46 -2.984 8.573 7.826 487 HB3 PRO 46 HB1 PRO 46 -3.816 7.228 7.046 488 HG2 PRO 46 HG2 PRO 46 -1.543 7.205 8.577 489 HG3 PRO 46 HG1 PRO 46 -2.215 5.814 7.655 490 HD2 PRO 46 HD2 PRO 46 0.019 7.688 7.021 491 HD3 PRO 46 HD1 PRO 46 -0.084 6.054 6.434 492 H VAL 47 HN VAL 47 -3.778 10.181 5.672 493 HA VAL 47 HA VAL 47 -1.426 11.968 5.720 494 HB VAL 47 HB VAL 47 -4.064 12.865 4.625 495 HG11 VAL 47 HG11 VAL 47 -1.266 13.725 4.131 496 HG12 VAL 47 HG12 VAL 47 -2.433 14.571 5.186 497 HG13 VAL 47 HG13 VAL 47 -2.699 14.462 3.418 498 HG21 VAL 47 HG21 VAL 47 -1.851 11.545 3.131 499 HG22 VAL 47 HG22 VAL 47 -3.122 12.511 2.361 500 HG23 VAL 47 HG23 VAL 47 -3.553 11.052 3.280 501 H ARG 48 HN ARG 48 -1.336 12.233 7.740 502 HA ARG 48 HA ARG 48 -3.696 12.931 9.213 503 HB2 ARG 48 HB2 ARG 48 -2.338 12.786 11.202 504 HB3 ARG 48 HB1 ARG 48 -2.085 11.361 10.218 505 HG2 ARG 48 HG2 ARG 48 0.043 12.381 9.419 506 HG3 ARG 48 HG1 ARG 48 -0.222 13.703 10.558 507 HD2 ARG 48 HD2 ARG 48 -0.411 11.979 12.349 508 HD3 ARG 48 HD1 ARG 48 0.147 10.784 11.179 509 HE ARG 48 HE ARG 48 1.713 13.092 12.154 510 HH11 ARG 48 HH11 ARG 48 1.737 9.897 10.594 511 HH12 ARG 48 HH12 ARG 48 3.389 9.630 10.946 512 HH21 ARG 48 HH21 ARG 48 3.887 12.741 12.549 513 HH22 ARG 48 HH22 ARG 48 4.658 11.284 12.075 514 H LYS 49 HN LYS 49 -4.135 14.908 9.998 515 HA LYS 49 HA LYS 49 -2.600 16.981 8.749 516 HB2 LYS 49 HB2 LYS 49 -5.319 16.969 10.043 517 HB3 LYS 49 HB1 LYS 49 -4.483 18.476 9.712 518 HG2 LYS 49 HG2 LYS 49 -6.071 17.963 7.917 519 HG3 LYS 49 HG1 LYS 49 -4.420 17.910 7.304 520 HD2 LYS 49 HD2 LYS 49 -4.436 15.476 7.508 521 HD3 LYS 49 HD1 LYS 49 -6.071 15.540 8.133 522 HE2 LYS 49 HE2 LYS 49 -6.115 14.903 5.790 523 HE3 LYS 49 HE1 LYS 49 -6.791 16.521 5.945 524 HZ1 LYS 49 HZ1 LYS 49 -5.182 16.231 4.059 525 HZ2 LYS 49 HZ2 LYS 49 -3.960 16.018 5.194 526 HZ3 LYS 49 HZ3 LYS 49 -4.779 17.462 5.131 527 H GLU 50 HN GLU 50 -0.990 17.250 9.659 528 HA GLU 50 HA GLU 50 -0.773 17.727 12.542 529 HB2 GLU 50 HB2 GLU 50 0.044 15.523 11.928 530 HB3 GLU 50 HB1 GLU 50 1.023 16.208 10.649 531 HG2 GLU 50 HG2 GLU 50 2.444 17.275 12.311 532 HG3 GLU 50 HG1 GLU 50 1.419 16.633 13.601 533 H1 ASN -16 HT1 ASN -16 16.132 3.011 16.537 534 H2 ASN -16 HT2 ASN -16 17.646 3.750 16.526 535 H3 ASN -16 HT3 ASN -16 16.298 4.646 16.157 536 HA ASN -16 HA ASN -16 15.434 4.413 18.366 537 HB2 ASN -16 HB2 ASN -16 16.399 2.244 18.961 538 HB3 ASN -16 HB1 ASN -16 18.020 2.915 18.906 539 HD21 ASN -16 HD21 ASN -16 18.501 2.436 21.018 540 HD22 ASN -16 HD22 ASN -16 17.766 3.239 22.356 541 H HIS -15 HN HIS -15 18.985 4.808 17.851 542 HA HIS -15 HA HIS -15 18.777 7.222 19.421 543 HB2 HIS -15 HB2 HIS -15 21.233 7.314 19.331 544 HB3 HIS -15 HB1 HIS -15 20.683 5.753 19.898 545 HD1 HIS -15 HD1 HIS -15 21.595 3.722 18.637 546 HD2 HIS -15 HD2 HIS -15 22.233 7.299 16.629 547 HE1 HIS -15 HE1 HIS -15 23.106 3.181 16.707 548 H LYS -14 HN LYS -14 19.443 9.230 18.720 549 HA LYS -14 HA LYS -14 19.914 9.616 15.897 550 HB2 LYS -14 HB2 LYS -14 17.406 9.935 16.446 551 HB3 LYS -14 HB1 LYS -14 17.890 11.280 17.450 552 HG2 LYS -14 HG2 LYS -14 18.361 11.111 14.463 553 HG3 LYS -14 HG1 LYS -14 17.005 11.935 15.214 554 HD2 LYS -14 HD2 LYS -14 18.605 13.450 16.350 555 HD3 LYS -14 HD1 LYS -14 19.931 12.632 15.530 556 HE2 LYS -14 HE2 LYS -14 17.678 14.137 14.199 557 HE3 LYS -14 HE1 LYS -14 19.330 14.712 14.401 558 HZ1 LYS -14 HZ1 LYS -14 20.083 12.881 12.959 559 HZ2 LYS -14 HZ2 LYS -14 18.947 13.878 12.224 560 HZ3 LYS -14 HZ3 LYS -14 18.460 12.385 12.792 561 H VAL -13 HN VAL -13 21.992 9.908 16.603 562 HA VAL -13 HA VAL -13 22.499 12.442 18.006 563 HB VAL -13 HB VAL -13 24.552 11.405 19.015 564 HG11 VAL -13 HG11 VAL -13 22.553 11.611 20.375 565 HG12 VAL -13 HG12 VAL -13 23.384 10.102 20.765 566 HG13 VAL -13 HG13 VAL -13 21.945 10.079 19.752 567 HG21 VAL -13 HG21 VAL -13 23.356 8.811 18.023 568 HG22 VAL -13 HG22 VAL -13 24.751 8.953 19.091 569 HG23 VAL -13 HG23 VAL -13 24.842 9.554 17.434 570 H HIS -12 HN HIS -12 22.550 11.066 15.165 571 HA HIS -12 HA HIS -12 24.422 12.712 13.951 572 HB2 HIS -12 HB2 HIS -12 26.023 11.009 14.986 573 HB3 HIS -12 HB1 HIS -12 25.175 9.757 14.094 574 HD1 HIS -12 HD1 HIS -12 26.398 9.107 12.003 575 HD2 HIS -12 HD2 HIS -12 27.058 13.072 13.038 576 HE1 HIS -12 HE1 HIS -12 27.926 10.048 10.241 577 H HIS -11 HN HIS -11 24.501 11.880 11.555 578 HA HIS -11 HA HIS -11 23.538 11.208 9.666 579 HB2 HIS -11 HB2 HIS -11 21.915 9.304 11.384 580 HB3 HIS -11 HB1 HIS -11 21.926 9.309 9.624 581 HD1 HIS -11 HD1 HIS -11 23.346 7.446 12.285 582 HD2 HIS -11 HD2 HIS -11 24.849 9.030 8.742 583 HE1 HIS -11 HE1 HIS -11 25.450 6.173 11.792 584 H HIS -10 HN HIS -10 22.417 12.626 8.630 585 HA HIS -10 HA HIS -10 20.030 13.659 9.880 586 HB2 HIS -10 HB2 HIS -10 21.522 14.583 7.416 587 HB3 HIS -10 HB1 HIS -10 20.008 15.305 7.963 588 HD1 HIS -10 HD1 HIS -10 23.661 15.477 8.526 589 HD2 HIS -10 HD2 HIS -10 20.182 16.528 10.550 590 HE1 HIS -10 HE1 HIS -10 24.365 17.012 10.368 591 H HIS -9 HN HIS -9 18.923 11.783 9.748 592 HA HIS -9 HA HIS -9 17.963 10.984 7.118 593 HB2 HIS -9 HB2 HIS -9 17.008 8.991 8.285 594 HB3 HIS -9 HB1 HIS -9 18.750 9.117 8.459 595 HD1 HIS -9 HD1 HIS -9 15.662 8.742 10.446 596 HD2 HIS -9 HD2 HIS -9 19.578 9.983 11.096 597 HE1 HIS -9 HE1 HIS -9 15.998 8.728 12.930 598 H HIS -8 HN HIS -8 15.806 11.043 6.614 599 HA HIS -8 HA HIS -8 14.029 12.323 8.538 600 HB2 HIS -8 HB2 HIS -8 14.917 14.120 7.145 601 HB3 HIS -8 HB1 HIS -8 14.547 13.208 5.692 602 HD1 HIS -8 HD1 HIS -8 12.240 13.561 4.692 603 HD2 HIS -8 HD2 HIS -8 12.621 15.166 8.504 604 HE1 HIS -8 HE1 HIS -8 10.158 14.915 5.080 605 H HIS -7 HN HIS -7 12.491 10.810 8.767 606 HA HIS -7 HA HIS -7 11.779 9.087 6.598 607 HB2 HIS -7 HB2 HIS -7 10.006 8.188 8.065 608 HB3 HIS -7 HB1 HIS -7 11.535 8.268 8.922 609 HD1 HIS -7 HD1 HIS -7 11.626 9.828 10.989 610 HD2 HIS -7 HD2 HIS -7 7.992 9.878 8.988 611 HE1 HIS -7 HE1 HIS -7 10.013 11.033 12.503 612 H MET -6 HN MET -6 9.530 8.962 5.778 613 HA MET -6 HA MET -6 7.885 9.797 4.603 614 HB2 MET -6 HB2 MET -6 8.152 12.265 6.327 615 HB3 MET -6 HB1 MET -6 7.070 12.232 4.946 616 HG2 MET -6 HG2 MET -6 5.849 10.381 5.933 617 HG3 MET -6 HG1 MET -6 6.951 10.379 7.310 618 HE1 MET -6 HE1 MET -6 4.763 10.479 8.844 619 HE2 MET -6 HE2 MET -6 3.734 10.569 7.415 620 HE3 MET -6 HE3 MET -6 3.535 11.739 8.721 621 H SER -5 HN SER -5 9.408 9.390 3.156 622 HA SER -5 HA SER -5 9.693 11.648 1.303 623 HB2 SER -5 HB2 SER -5 11.971 9.747 1.963 624 HB3 SER -5 HB1 SER -5 12.027 11.038 0.758 625 HG SER -5 HG SER -5 11.152 11.983 3.086 626 H ASP -4 HN ASP -4 9.290 8.423 2.105 627 HA ASP -4 HA ASP -4 9.220 7.199 -0.451 628 HB2 ASP -4 HB2 ASP -4 8.444 5.292 1.075 629 HB3 ASP -4 HB1 ASP -4 10.061 5.920 1.353 630 H ASP -3 HN ASP -3 7.175 9.032 1.446 631 HA ASP -3 HA ASP -3 4.661 7.940 0.379 632 HB2 ASP -3 HB2 ASP -3 3.576 9.053 2.179 633 HB3 ASP -3 HB1 ASP -3 4.952 8.206 2.880 634 H ASP -2 HN ASP -2 6.853 9.949 -0.526 635 HA ASP -2 HA ASP -2 6.166 12.592 -0.595 636 HB2 ASP -2 HB2 ASP -2 8.287 11.923 -1.338 637 HB3 ASP -2 HB1 ASP -2 7.611 10.895 -2.592 638 H ASP -1 HN ASP -1 5.091 10.182 -2.995 639 HA ASP -1 HA ASP -1 3.937 12.287 -4.592 640 HB2 ASP -1 HB2 ASP -1 4.933 10.160 -5.490 641 HB3 ASP -1 HB1 ASP -1 3.470 9.343 -4.941 642 H LYS 0 HN LYS 0 1.809 12.768 -4.877 643 HA LYS 0 HA LYS 0 -0.164 11.305 -3.335 644 HB2 LYS 0 HB2 LYS 0 -1.113 13.418 -2.465 645 HB3 LYS 0 HB1 LYS 0 0.467 13.034 -1.818 646 HG2 LYS 0 HG2 LYS 0 1.457 14.665 -3.385 647 HG3 LYS 0 HG1 LYS 0 -0.175 15.104 -3.904 648 HD2 LYS 0 HD2 LYS 0 -0.755 15.715 -1.622 649 HD3 LYS 0 HD1 LYS 0 0.852 15.252 -1.074 650 HE2 LYS 0 HE2 LYS 0 1.807 16.999 -2.539 651 HE3 LYS 0 HE1 LYS 0 0.173 17.481 -2.983 652 HZ1 LYS 0 HZ1 LYS 0 1.297 17.520 -0.241 653 HZ2 LYS 0 HZ2 LYS 0 -0.268 17.969 -0.657 654 HZ3 LYS 0 HZ3 LYS 0 1.047 18.866 -1.222 655 H GLY 1 HN GLY 1 0.503 11.529 -6.149 656 HA2 GLY 1 HA2 GLY 1 -1.279 13.211 -7.531 657 HA3 GLY 1 HA1 GLY 1 -0.581 11.725 -8.161 658 H ILE 2 HN ILE 2 -1.640 9.978 -6.235 659 HA ILE 2 HA ILE 2 -4.484 10.078 -6.888 660 HB ILE 2 HB ILE 2 -2.822 7.699 -5.973 661 HG12 ILE 2 HG12 ILE 2 -3.926 8.287 -8.732 662 HG13 ILE 2 HG11 ILE 2 -2.247 8.499 -8.269 663 HG21 ILE 2 HG21 ILE 2 -5.184 7.561 -5.327 664 HG22 ILE 2 HG22 ILE 2 -4.790 6.374 -6.571 665 HG23 ILE 2 HG23 ILE 2 -5.662 7.848 -7.005 666 HD11 ILE 2 HD11 ILE 2 -2.568 6.433 -9.493 667 HD12 ILE 2 HD12 ILE 2 -3.755 5.893 -8.304 668 HD13 ILE 2 HD13 ILE 2 -2.068 6.100 -7.836 669 H HIS 3 HN HIS 3 -5.262 11.295 -5.240 670 HA HIS 3 HA HIS 3 -4.737 10.223 -2.596 671 HB2 HIS 3 HB2 HIS 3 -5.233 12.534 -1.678 672 HB3 HIS 3 HB1 HIS 3 -3.725 12.383 -2.559 673 HD1 HIS 3 HD1 HIS 3 -3.469 13.801 -4.695 674 HD2 HIS 3 HD2 HIS 3 -7.203 14.112 -2.906 675 HE1 HIS 3 HE1 HIS 3 -4.612 15.743 -5.796 676 H SER 4 HN SER 4 -6.337 9.731 -1.359 677 HA SER 4 HA SER 4 -9.041 10.270 -2.261 678 HB2 SER 4 HB2 SER 4 -7.809 7.561 -1.834 679 HB3 SER 4 HB1 SER 4 -9.530 7.762 -1.887 680 HG SER 4 HG SER 4 -8.119 8.942 -3.936 681 H SER 5 HN SER 5 -10.205 8.503 -0.378 682 HA SER 5 HA SER 5 -9.111 9.067 2.170 683 HB2 SER 5 HB2 SER 5 -11.249 10.250 2.896 684 HB3 SER 5 HB1 SER 5 -10.173 11.194 1.865 685 HG SER 5 HG SER 5 -11.486 10.453 0.090 686 H VAL 6 HN VAL 6 -10.517 8.082 3.820 687 HA VAL 6 HA VAL 6 -11.557 5.523 2.841 688 HB VAL 6 HB VAL 6 -11.170 6.490 5.688 689 HG11 VAL 6 HG11 VAL 6 -11.499 3.707 4.586 690 HG12 VAL 6 HG12 VAL 6 -12.696 4.618 5.509 691 HG13 VAL 6 HG13 VAL 6 -11.189 4.116 6.274 692 HG21 VAL 6 HG21 VAL 6 -9.045 6.527 4.543 693 HG22 VAL 6 HG22 VAL 6 -9.337 4.878 3.977 694 HG23 VAL 6 HG23 VAL 6 -9.091 5.184 5.704 695 H LYS 7 HN LYS 7 -13.742 5.102 2.929 696 HA LYS 7 HA LYS 7 -15.254 7.006 4.523 697 HB2 LYS 7 HB2 LYS 7 -15.996 5.986 1.793 698 HB3 LYS 7 HB1 LYS 7 -17.211 6.605 2.932 699 HG2 LYS 7 HG2 LYS 7 -16.816 8.458 1.603 700 HG3 LYS 7 HG1 LYS 7 -15.681 8.694 2.932 701 HD2 LYS 7 HD2 LYS 7 -13.846 8.042 1.633 702 HD3 LYS 7 HD1 LYS 7 -14.881 7.387 0.358 703 HE2 LYS 7 HE2 LYS 7 -14.011 9.526 -0.348 704 HE3 LYS 7 HE1 LYS 7 -15.743 9.653 -0.082 705 HZ1 LYS 7 HZ1 LYS 7 -14.776 11.563 0.850 706 HZ2 LYS 7 HZ2 LYS 7 -13.523 10.724 1.500 707 HZ3 LYS 7 HZ3 LYS 7 -15.037 10.632 2.248 708 H ARG 8 HN ARG 8 -17.633 5.971 4.823 709 HA ARG 8 HA ARG 8 -16.900 3.442 6.089 710 HB2 ARG 8 HB2 ARG 8 -17.688 5.369 7.500 711 HB3 ARG 8 HB1 ARG 8 -19.279 5.163 6.770 712 HG2 ARG 8 HG2 ARG 8 -19.347 2.887 7.635 713 HG3 ARG 8 HG1 ARG 8 -17.768 3.124 8.392 714 HD2 ARG 8 HD2 ARG 8 -20.351 4.535 8.987 715 HD3 ARG 8 HD1 ARG 8 -19.481 3.427 10.045 716 HE ARG 8 HE ARG 8 -18.685 6.156 9.319 717 HH11 ARG 8 HH11 ARG 8 -18.228 3.358 11.497 718 HH12 ARG 8 HH12 ARG 8 -17.566 4.274 12.760 719 HH21 ARG 8 HH21 ARG 8 -17.703 7.411 11.102 720 HH22 ARG 8 HH22 ARG 8 -17.217 6.635 12.520 721 H TRP 9 HN TRP 9 -17.466 1.837 4.791 722 HA TRP 9 HA TRP 9 -19.925 1.920 3.216 723 HB2 TRP 9 HB2 TRP 9 -17.738 1.077 2.235 724 HB3 TRP 9 HB1 TRP 9 -17.770 -0.182 3.415 725 HD1 TRP 9 HD1 TRP 9 -21.194 0.178 2.016 726 HE1 TRP 9 HE1 TRP 9 -21.632 -1.591 0.299 727 HE3 TRP 9 HE3 TRP 9 -16.398 -1.662 1.297 728 HZ2 TRP 9 HZ2 TRP 9 -20.312 -3.584 -1.072 729 HZ3 TRP 9 HZ3 TRP 9 -16.142 -3.516 -0.198 730 HH2 TRP 9 HH2 TRP 9 -18.113 -4.447 -1.411 731 H GLY 10 HN GLY 10 -21.486 1.787 4.706 732 HA2 GLY 10 HA2 GLY 10 -22.978 0.685 6.047 733 HA3 GLY 10 HA1 GLY 10 -21.976 -0.765 5.918 734 H ASN 11 HN ASN 11 -21.095 -1.379 7.728 735 HA ASN 11 HA ASN 11 -20.329 0.707 9.649 736 HB2 ASN 11 HB2 ASN 11 -21.074 -2.187 10.131 737 HB3 ASN 11 HB1 ASN 11 -20.436 -1.116 11.370 738 HD21 ASN 11 HD21 ASN 11 -21.721 0.556 12.141 739 HD22 ASN 11 HD22 ASN 11 -23.424 0.619 11.852 740 H SER 12 HN SER 12 -18.560 -0.166 7.316 741 HA SER 12 HA SER 12 -16.334 -0.854 8.948 742 HB2 SER 12 HB2 SER 12 -17.207 -2.377 6.489 743 HB3 SER 12 HB1 SER 12 -15.618 -2.560 7.272 744 HG SER 12 HG SER 12 -17.702 -2.796 8.988 745 HA PRO 13 HA PRO 13 -14.758 2.444 6.376 746 HB2 PRO 13 HB2 PRO 13 -12.079 1.876 6.859 747 HB3 PRO 13 HB1 PRO 13 -13.093 2.912 7.861 748 HG2 PRO 13 HG2 PRO 13 -12.231 0.116 8.296 749 HG3 PRO 13 HG1 PRO 13 -12.626 1.374 9.475 750 HD2 PRO 13 HD2 PRO 13 -14.267 -0.732 8.842 751 HD3 PRO 13 HD1 PRO 13 -14.848 0.811 9.496 752 H ALA 14 HN ALA 14 -14.408 2.494 4.242 753 HA ALA 14 HA ALA 14 -12.892 0.346 3.011 754 HB1 ALA 14 HB1 ALA 14 -15.559 1.352 2.038 755 HB2 ALA 14 HB2 ALA 14 -15.266 -0.206 2.809 756 HB3 ALA 14 HB3 ALA 14 -14.539 0.151 1.241 757 H VAL 15 HN VAL 15 -11.681 1.031 1.292 758 HA VAL 15 HA VAL 15 -11.905 3.863 0.592 759 HB VAL 15 HB VAL 15 -9.563 3.805 -0.157 760 HG11 VAL 15 HG11 VAL 15 -9.944 3.015 2.676 761 HG12 VAL 15 HG12 VAL 15 -9.899 4.639 1.973 762 HG13 VAL 15 HG13 VAL 15 -8.445 3.647 1.997 763 HG21 VAL 15 HG21 VAL 15 -9.278 1.506 -0.760 764 HG22 VAL 15 HG22 VAL 15 -9.530 0.999 0.900 765 HG23 VAL 15 HG23 VAL 15 -8.082 1.919 0.472 766 H ARG 16 HN ARG 16 -11.789 4.424 -1.546 767 HA ARG 16 HA ARG 16 -12.795 2.393 -3.317 768 HB2 ARG 16 HB2 ARG 16 -12.546 5.373 -3.466 769 HB3 ARG 16 HB1 ARG 16 -13.079 4.402 -4.851 770 HG2 ARG 16 HG2 ARG 16 -14.939 3.609 -3.555 771 HG3 ARG 16 HG1 ARG 16 -14.356 4.504 -2.141 772 HD2 ARG 16 HD2 ARG 16 -14.679 6.573 -3.262 773 HD3 ARG 16 HD1 ARG 16 -15.128 5.755 -4.759 774 HE ARG 16 HE ARG 16 -17.005 4.796 -3.337 775 HH11 ARG 16 HH11 ARG 16 -15.773 8.112 -3.000 776 HH12 ARG 16 HH12 ARG 16 -17.222 8.687 -2.296 777 HH21 ARG 16 HH21 ARG 16 -18.996 5.655 -2.406 778 HH22 ARG 16 HH22 ARG 16 -19.049 7.302 -1.962 779 H ILE 17 HN ILE 17 -11.549 1.392 -4.723 780 HA ILE 17 HA ILE 17 -8.872 2.432 -5.164 781 HB ILE 17 HB ILE 17 -10.040 -0.328 -5.738 782 HG12 ILE 17 HG12 ILE 17 -7.951 -1.055 -4.404 783 HG13 ILE 17 HG11 ILE 17 -7.874 0.619 -3.884 784 HG21 ILE 17 HG21 ILE 17 -7.925 -1.029 -6.591 785 HG22 ILE 17 HG22 ILE 17 -7.313 0.631 -6.486 786 HG23 ILE 17 HG23 ILE 17 -8.627 0.238 -7.618 787 HD11 ILE 17 HD11 ILE 17 -8.979 -0.936 -2.318 788 HD12 ILE 17 HD12 ILE 17 -10.218 -1.163 -3.552 789 HD13 ILE 17 HD13 ILE 17 -9.960 0.447 -2.821 790 HA PRO 18 HA PRO 18 -10.376 4.184 -8.939 791 HB2 PRO 18 HB2 PRO 18 -7.856 4.481 -10.110 792 HB3 PRO 18 HB1 PRO 18 -8.646 5.664 -9.068 793 HG2 PRO 18 HG2 PRO 18 -6.523 3.696 -8.422 794 HG3 PRO 18 HG1 PRO 18 -6.808 5.303 -7.741 795 HD2 PRO 18 HD2 PRO 18 -7.411 2.990 -6.453 796 HD3 PRO 18 HD1 PRO 18 -8.311 4.489 -6.175 797 H ALA 19 HN ALA 19 -11.075 3.278 -10.726 798 HA ALA 19 HA ALA 19 -10.684 0.562 -11.329 799 HB1 ALA 19 HB1 ALA 19 -12.006 0.986 -13.344 800 HB2 ALA 19 HB2 ALA 19 -11.790 2.722 -13.120 801 HB3 ALA 19 HB3 ALA 19 -12.716 1.791 -11.943 802 H THR 20 HN THR 20 -9.103 3.429 -12.475 803 HA THR 20 HA THR 20 -7.753 2.592 -14.713 804 HB THR 20 HB THR 20 -6.573 4.326 -12.568 805 HG1 THR 20 HG1 THR 20 -8.487 5.290 -14.410 806 HG21 THR 20 HG21 THR 20 -6.729 4.527 -15.579 807 HG22 THR 20 HG22 THR 20 -5.314 4.014 -14.654 808 HG23 THR 20 HG23 THR 20 -5.912 5.671 -14.517 809 H LEU 21 HN LEU 21 -7.012 2.192 -11.267 810 HA LEU 21 HA LEU 21 -4.401 1.066 -11.734 811 HB2 LEU 21 HB2 LEU 21 -6.012 1.738 -9.331 812 HB3 LEU 21 HB1 LEU 21 -4.670 0.632 -9.174 813 HG LEU 21 HG LEU 21 -4.252 2.966 -8.596 814 HD11 LEU 21 HD11 LEU 21 -2.004 3.004 -9.658 815 HD12 LEU 21 HD12 LEU 21 -2.583 1.916 -10.910 816 HD13 LEU 21 HD13 LEU 21 -2.438 1.340 -9.255 817 HD21 LEU 21 HD21 LEU 21 -3.752 4.567 -10.471 818 HD22 LEU 21 HD22 LEU 21 -5.462 4.130 -10.321 819 HD23 LEU 21 HD23 LEU 21 -4.463 3.361 -11.556 820 H MET 22 HN MET 22 -7.507 0.072 -10.868 821 HA MET 22 HA MET 22 -7.150 -2.646 -10.343 822 HB2 MET 22 HB2 MET 22 -9.335 -1.345 -11.963 823 HB3 MET 22 HB1 MET 22 -9.402 -3.012 -11.439 824 HG2 MET 22 HG2 MET 22 -9.221 -0.648 -9.575 825 HG3 MET 22 HG1 MET 22 -10.722 -1.432 -10.064 826 HE1 MET 22 HE1 MET 22 -10.439 -4.965 -8.598 827 HE2 MET 22 HE2 MET 22 -9.930 -4.425 -10.204 828 HE3 MET 22 HE3 MET 22 -11.421 -3.804 -9.504 829 H GLN 23 HN GLN 23 -7.598 -1.130 -13.390 830 HA GLN 23 HA GLN 23 -7.022 -3.348 -15.055 831 HB2 GLN 23 HB2 GLN 23 -6.744 -0.407 -15.579 832 HB3 GLN 23 HB1 GLN 23 -6.706 -1.668 -16.803 833 HG2 GLN 23 HG2 GLN 23 -8.928 -2.314 -16.202 834 HG3 GLN 23 HG1 GLN 23 -8.993 -1.056 -14.981 835 HE21 GLN 23 HE21 GLN 23 -10.705 -0.068 -15.968 836 HE22 GLN 23 HE22 GLN 23 -10.543 0.881 -17.404 837 H ALA 24 HN ALA 24 -5.043 -0.947 -13.521 838 HA ALA 24 HA ALA 24 -2.759 -1.398 -15.225 839 HB1 ALA 24 HB1 ALA 24 -2.799 0.040 -12.579 840 HB2 ALA 24 HB2 ALA 24 -3.190 0.779 -14.130 841 HB3 ALA 24 HB3 ALA 24 -1.565 0.160 -13.836 842 H LEU 25 HN LEU 25 -3.834 -2.613 -12.201 843 HA LEU 25 HA LEU 25 -1.351 -4.087 -11.873 844 HB2 LEU 25 HB2 LEU 25 -3.633 -3.605 -10.003 845 HB3 LEU 25 HB1 LEU 25 -2.219 -4.576 -9.615 846 HG LEU 25 HG LEU 25 -2.107 -1.668 -10.388 847 HD11 LEU 25 HD11 LEU 25 -3.313 -1.917 -8.351 848 HD12 LEU 25 HD12 LEU 25 -1.698 -1.281 -8.001 849 HD13 LEU 25 HD13 LEU 25 -2.076 -2.983 -7.704 850 HD21 LEU 25 HD21 LEU 25 -0.045 -3.529 -9.195 851 HD22 LEU 25 HD22 LEU 25 0.180 -1.811 -9.479 852 HD23 LEU 25 HD23 LEU 25 -0.042 -2.899 -10.840 853 H ASN 26 HN ASN 26 -4.233 -4.457 -13.317 854 HA ASN 26 HA ASN 26 -5.288 -6.150 -14.354 855 HB2 ASN 26 HB2 ASN 26 -2.832 -7.721 -13.549 856 HB3 ASN 26 HB1 ASN 26 -4.098 -8.362 -14.586 857 HD21 ASN 26 HD21 ASN 26 -1.420 -6.193 -14.350 858 HD22 ASN 26 HD22 ASN 26 -1.333 -5.770 -16.017 859 H LEU 27 HN LEU 27 -6.144 -5.625 -11.695 860 HA LEU 27 HA LEU 27 -6.842 -8.305 -10.859 861 HB2 LEU 27 HB2 LEU 27 -7.356 -7.439 -8.752 862 HB3 LEU 27 HB1 LEU 27 -5.687 -7.071 -9.128 863 HG LEU 27 HG LEU 27 -7.755 -4.959 -9.578 864 HD11 LEU 27 HD11 LEU 27 -7.658 -4.340 -7.253 865 HD12 LEU 27 HD12 LEU 27 -6.612 -5.744 -6.907 866 HD13 LEU 27 HD13 LEU 27 -8.280 -5.983 -7.444 867 HD21 LEU 27 HD21 LEU 27 -5.416 -4.549 -10.141 868 HD22 LEU 27 HD22 LEU 27 -4.942 -4.975 -8.498 869 HD23 LEU 27 HD23 LEU 27 -5.923 -3.538 -8.786 870 H ASN 28 HN ASN 28 -8.933 -8.587 -10.099 871 HA ASN 28 HA ASN 28 -10.965 -6.885 -11.393 872 HB2 ASN 28 HB2 ASN 28 -12.380 -8.978 -11.441 873 HB3 ASN 28 HB1 ASN 28 -11.077 -8.941 -12.593 874 HD21 ASN 28 HD21 ASN 28 -10.711 -9.727 -9.108 875 HD22 ASN 28 HD22 ASN 28 -10.273 -11.362 -9.362 876 H ILE 29 HN ILE 29 -13.212 -7.576 -10.354 877 HA ILE 29 HA ILE 29 -13.090 -6.874 -7.616 878 HB ILE 29 HB ILE 29 -15.248 -7.755 -9.474 879 HG12 ILE 29 HG12 ILE 29 -14.459 -5.459 -9.792 880 HG13 ILE 29 HG11 ILE 29 -16.114 -5.454 -9.204 881 HG21 ILE 29 HG21 ILE 29 -15.707 -6.946 -6.575 882 HG22 ILE 29 HG22 ILE 29 -15.858 -8.580 -7.213 883 HG23 ILE 29 HG23 ILE 29 -16.969 -7.329 -7.757 884 HD11 ILE 29 HD11 ILE 29 -13.636 -4.904 -7.587 885 HD12 ILE 29 HD12 ILE 29 -15.283 -4.933 -6.960 886 HD13 ILE 29 HD13 ILE 29 -14.817 -3.726 -8.157 887 H ASP 30 HN ASP 30 -13.394 -8.083 -5.832 888 HA ASP 30 HA ASP 30 -13.332 -9.690 -4.385 889 HB2 ASP 30 HB2 ASP 30 -15.309 -10.620 -5.874 890 HB3 ASP 30 HB1 ASP 30 -14.125 -11.848 -6.326 891 H ASP 31 HN ASP 31 -11.171 -9.004 -6.122 892 HA ASP 31 HA ASP 31 -9.521 -11.327 -6.444 893 HB2 ASP 31 HB2 ASP 31 -9.490 -9.148 -7.782 894 HB3 ASP 31 HB1 ASP 31 -8.674 -8.431 -6.405 895 H GLU 32 HN GLU 32 -8.341 -12.106 -4.904 896 HA GLU 32 HA GLU 32 -8.453 -11.193 -2.242 897 HB2 GLU 32 HB2 GLU 32 -8.343 -13.521 -2.761 898 HB3 GLU 32 HB1 GLU 32 -6.862 -13.337 -3.664 899 HG2 GLU 32 HG2 GLU 32 -5.713 -12.743 -1.593 900 HG3 GLU 32 HG1 GLU 32 -7.228 -12.972 -0.711 901 H VAL 33 HN VAL 33 -7.018 -9.947 -1.099 902 HA VAL 33 HA VAL 33 -4.525 -9.285 -2.413 903 HB VAL 33 HB VAL 33 -4.673 -6.924 -2.176 904 HG11 VAL 33 HG11 VAL 33 -6.622 -6.216 -3.383 905 HG12 VAL 33 HG12 VAL 33 -7.427 -7.704 -2.931 906 HG13 VAL 33 HG13 VAL 33 -6.045 -7.770 -4.047 907 HG21 VAL 33 HG21 VAL 33 -6.452 -5.722 -1.050 908 HG22 VAL 33 HG22 VAL 33 -5.610 -6.809 0.054 909 HG23 VAL 33 HG23 VAL 33 -7.206 -7.255 -0.618 910 H LYS 34 HN LYS 34 -2.793 -8.755 -1.107 911 HA LYS 34 HA LYS 34 -3.145 -9.562 1.682 912 HB2 LYS 34 HB2 LYS 34 -0.674 -9.293 -0.029 913 HB3 LYS 34 HB1 LYS 34 -0.657 -9.746 1.668 914 HG2 LYS 34 HG2 LYS 34 -1.952 -11.751 1.148 915 HG3 LYS 34 HG1 LYS 34 -1.970 -11.294 -0.554 916 HD2 LYS 34 HD2 LYS 34 0.527 -11.814 1.053 917 HD3 LYS 34 HD1 LYS 34 -0.249 -13.009 0.009 918 HE2 LYS 34 HE2 LYS 34 0.153 -11.527 -1.916 919 HE3 LYS 34 HE1 LYS 34 0.907 -10.354 -0.828 920 HZ1 LYS 34 HZ1 LYS 34 1.878 -13.111 -1.319 921 HZ2 LYS 34 HZ2 LYS 34 2.577 -11.961 -0.278 922 HZ3 LYS 34 HZ3 LYS 34 2.589 -11.698 -1.922 923 H ILE 35 HN ILE 35 -2.843 -8.149 3.313 924 HA ILE 35 HA ILE 35 -1.894 -5.464 2.623 925 HB ILE 35 HB ILE 35 -3.851 -6.243 4.825 926 HG12 ILE 35 HG12 ILE 35 -5.457 -4.672 3.527 927 HG13 ILE 35 HG11 ILE 35 -4.377 -4.911 2.166 928 HG21 ILE 35 HG21 ILE 35 -4.136 -3.845 5.203 929 HG22 ILE 35 HG22 ILE 35 -2.873 -3.518 4.014 930 HG23 ILE 35 HG23 ILE 35 -2.486 -4.393 5.495 931 HD11 ILE 35 HD11 ILE 35 -6.310 -6.361 2.039 932 HD12 ILE 35 HD12 ILE 35 -5.905 -7.063 3.609 933 HD13 ILE 35 HD13 ILE 35 -4.834 -7.307 2.229 934 H ASP 36 HN ASP 36 0.087 -5.235 3.498 935 HA ASP 36 HA ASP 36 0.461 -6.424 6.162 936 HB2 ASP 36 HB2 ASP 36 1.793 -7.605 4.304 937 HB3 ASP 36 HB1 ASP 36 2.713 -6.141 4.155 938 H LEU 37 HN LEU 37 1.528 -5.100 7.739 939 HA LEU 37 HA LEU 37 1.507 -2.379 6.977 940 HB2 LEU 37 HB2 LEU 37 0.359 -3.561 9.010 941 HB3 LEU 37 HB1 LEU 37 1.986 -3.579 9.656 942 HG LEU 37 HG LEU 37 0.738 -1.740 10.573 943 HD11 LEU 37 HD11 LEU 37 2.791 -0.863 8.656 944 HD12 LEU 37 HD12 LEU 37 3.060 -1.478 10.277 945 HD13 LEU 37 HD13 LEU 37 2.238 0.098 10.048 946 HD21 LEU 37 HD21 LEU 37 -0.200 -0.004 9.289 947 HD22 LEU 37 HD22 LEU 37 -0.773 -1.547 8.608 948 HD23 LEU 37 HD23 LEU 37 0.499 -0.638 7.804 949 H VAL 38 HN VAL 38 3.271 -1.446 6.710 950 HA VAL 38 HA VAL 38 5.812 -2.373 7.852 951 HB VAL 38 HB VAL 38 5.678 -1.758 4.875 952 HG11 VAL 38 HG11 VAL 38 8.020 -2.432 4.827 953 HG12 VAL 38 HG12 VAL 38 7.959 -2.756 6.561 954 HG13 VAL 38 HG13 VAL 38 7.757 -1.109 5.975 955 HG21 VAL 38 HG21 VAL 38 4.696 -3.954 5.189 956 HG22 VAL 38 HG22 VAL 38 6.001 -4.426 6.261 957 HG23 VAL 38 HG23 VAL 38 6.329 -4.166 4.551 958 H ASP 39 HN ASP 39 6.222 -0.671 9.020 959 HA ASP 39 HA ASP 39 6.632 1.381 9.731 960 HB2 ASP 39 HB2 ASP 39 8.599 1.099 8.213 961 HB3 ASP 39 HB1 ASP 39 7.709 1.937 6.950 962 H GLY 40 HN GLY 40 4.260 1.440 9.694 963 HA2 GLY 40 HA2 GLY 40 2.430 2.826 9.752 964 HA3 GLY 40 HA1 GLY 40 3.438 4.080 9.062 965 H LYS 41 HN LYS 41 3.555 1.483 6.989 966 HA LYS 41 HA LYS 41 1.580 2.765 5.219 967 HB2 LYS 41 HB2 LYS 41 3.670 0.725 4.548 968 HB3 LYS 41 HB1 LYS 41 2.667 1.618 3.431 969 HG2 LYS 41 HG2 LYS 41 4.641 2.860 5.256 970 HG3 LYS 41 HG1 LYS 41 5.040 2.331 3.618 971 HD2 LYS 41 HD2 LYS 41 3.279 3.879 2.802 972 HD3 LYS 41 HD1 LYS 41 3.068 4.442 4.468 973 HE2 LYS 41 HE2 LYS 41 5.695 4.366 3.104 974 HE3 LYS 41 HE1 LYS 41 4.659 5.811 3.024 975 HZ1 LYS 41 HZ1 LYS 41 4.867 5.995 5.367 976 HZ2 LYS 41 HZ2 LYS 41 6.425 5.824 4.674 977 HZ3 LYS 41 HZ3 LYS 41 5.718 4.524 5.503 978 H LEU 42 HN LEU 42 -0.071 1.655 4.434 979 HA LEU 42 HA LEU 42 -0.334 -1.162 5.102 980 HB2 LEU 42 HB2 LEU 42 -2.259 0.763 3.749 981 HB3 LEU 42 HB1 LEU 42 -2.573 -0.941 3.989 982 HG LEU 42 HG LEU 42 -1.884 0.797 6.246 983 HD11 LEU 42 HD11 LEU 42 -3.836 1.865 5.100 984 HD12 LEU 42 HD12 LEU 42 -4.385 1.116 6.601 985 HD13 LEU 42 HD13 LEU 42 -4.662 0.308 5.058 986 HD21 LEU 42 HD21 LEU 42 -3.505 -1.725 6.003 987 HD22 LEU 42 HD22 LEU 42 -3.243 -0.843 7.507 988 HD23 LEU 42 HD23 LEU 42 -1.876 -1.567 6.661 989 H ILE 43 HN ILE 43 0.902 -2.168 3.948 990 HA ILE 43 HA ILE 43 1.566 -1.417 1.227 991 HB ILE 43 HB ILE 43 2.457 -3.637 3.015 992 HG12 ILE 43 HG12 ILE 43 3.247 -1.507 3.777 993 HG13 ILE 43 HG11 ILE 43 4.608 -2.437 3.148 994 HG21 ILE 43 HG21 ILE 43 3.481 -3.012 0.275 995 HG22 ILE 43 HG22 ILE 43 2.659 -4.487 0.835 996 HG23 ILE 43 HG23 ILE 43 4.274 -4.101 1.431 997 HD11 ILE 43 HD11 ILE 43 4.749 -0.047 2.542 998 HD12 ILE 43 HD12 ILE 43 3.201 -0.157 1.743 999 HD13 ILE 43 HD13 ILE 43 4.575 -1.064 1.113 1000 H ILE 44 HN ILE 44 0.743 -2.308 -0.515 1001 HA ILE 44 HA ILE 44 -1.189 -4.500 -0.143 1002 HB ILE 44 HB ILE 44 -1.528 -2.101 -1.929 1003 HG12 ILE 44 HG12 ILE 44 -1.836 -1.442 0.420 1004 HG13 ILE 44 HG11 ILE 44 -3.359 -1.365 -0.454 1005 HG21 ILE 44 HG21 ILE 44 -2.593 -4.060 -2.873 1006 HG22 ILE 44 HG22 ILE 44 -3.831 -2.940 -2.300 1007 HG23 ILE 44 HG23 ILE 44 -3.433 -4.372 -1.352 1008 HD11 ILE 44 HD11 ILE 44 -2.497 -3.546 1.431 1009 HD12 ILE 44 HD12 ILE 44 -4.024 -3.487 0.550 1010 HD13 ILE 44 HD13 ILE 44 -3.663 -2.266 1.771 1011 H GLU 45 HN GLU 45 -0.710 -6.112 -1.354 1012 HA GLU 45 HA GLU 45 0.380 -5.756 -4.057 1013 HB2 GLU 45 HB2 GLU 45 2.201 -6.596 -2.637 1014 HB3 GLU 45 HB1 GLU 45 1.142 -7.754 -1.878 1015 HG2 GLU 45 HG2 GLU 45 2.584 -8.995 -3.278 1016 HG3 GLU 45 HG1 GLU 45 1.063 -8.958 -4.135 1017 HA PRO 46 HA PRO 46 -3.373 -7.994 -4.459 1018 HB2 PRO 46 HB2 PRO 46 -2.983 -8.686 -7.188 1019 HB3 PRO 46 HB1 PRO 46 -3.901 -7.328 -6.544 1020 HG2 PRO 46 HG2 PRO 46 -1.583 -7.242 -7.952 1021 HG3 PRO 46 HG1 PRO 46 -2.245 -5.871 -7.011 1022 HD2 PRO 46 HD2 PRO 46 -0.111 -7.847 -6.363 1023 HD3 PRO 46 HD1 PRO 46 -0.118 -6.190 -5.816 1024 H VAL 47 HN VAL 47 -4.069 -10.189 -5.297 1025 HA VAL 47 HA VAL 47 -1.773 -12.016 -5.184 1026 HB VAL 47 HB VAL 47 -4.437 -12.822 -4.080 1027 HG11 VAL 47 HG11 VAL 47 -1.675 -13.794 -3.592 1028 HG12 VAL 47 HG12 VAL 47 -2.854 -14.554 -4.691 1029 HG13 VAL 47 HG13 VAL 47 -3.148 -14.503 -2.928 1030 HG21 VAL 47 HG21 VAL 47 -2.152 -11.633 -2.578 1031 HG22 VAL 47 HG22 VAL 47 -3.474 -12.532 -1.818 1032 HG23 VAL 47 HG23 VAL 47 -3.823 -11.041 -2.721 1033 H ARG 48 HN ARG 48 -1.681 -12.263 -7.206 1034 HA ARG 48 HA ARG 48 -4.016 -12.947 -8.743 1035 HB2 ARG 48 HB2 ARG 48 -2.569 -12.844 -10.681 1036 HB3 ARG 48 HB1 ARG 48 -2.261 -11.444 -9.672 1037 HG2 ARG 48 HG2 ARG 48 -0.271 -12.641 -8.757 1038 HG3 ARG 48 HG1 ARG 48 -0.558 -13.902 -9.951 1039 HD2 ARG 48 HD2 ARG 48 -0.457 -12.154 -11.695 1040 HD3 ARG 48 HD1 ARG 48 0.074 -11.011 -10.454 1041 HE ARG 48 HE ARG 48 1.533 -13.486 -11.117 1042 HH11 ARG 48 HH11 ARG 48 1.691 -10.067 -10.152 1043 HH12 ARG 48 HH12 ARG 48 3.359 -9.958 -10.385 1044 HH21 ARG 48 HH21 ARG 48 3.692 -13.371 -11.373 1045 HH22 ARG 48 HH22 ARG 48 4.594 -11.934 -11.094 1046 H LYS 49 HN LYS 49 -4.393 -14.997 -9.585 1047 HA LYS 49 HA LYS 49 -2.981 -17.013 -8.082 1048 HB2 LYS 49 HB2 LYS 49 -5.612 -17.035 -9.544 1049 HB3 LYS 49 HB1 LYS 49 -4.838 -18.527 -9.046 1050 HG2 LYS 49 HG2 LYS 49 -6.558 -17.819 -7.428 1051 HG3 LYS 49 HG1 LYS 49 -4.956 -17.824 -6.701 1052 HD2 LYS 49 HD2 LYS 49 -4.793 -15.419 -7.032 1053 HD3 LYS 49 HD1 LYS 49 -6.379 -15.398 -7.777 1054 HE2 LYS 49 HE2 LYS 49 -6.470 -14.613 -5.455 1055 HE3 LYS 49 HE1 LYS 49 -7.357 -16.124 -5.623 1056 HZ1 LYS 49 HZ1 LYS 49 -5.727 -17.289 -4.496 1057 HZ2 LYS 49 HZ2 LYS 49 -5.704 -15.837 -3.626 1058 HZ3 LYS 49 HZ3 LYS 49 -4.537 -16.153 -4.779 1059 H GLU 50 HN GLU 50 -1.281 -17.350 -8.920 1060 HA GLU 50 HA GLU 50 -1.012 -18.171 -11.728 1061 HB2 GLU 50 HB2 GLU 50 -0.336 -15.818 -11.445 1062 HB3 GLU 50 HB1 GLU 50 0.738 -16.279 -10.143 1063 HG2 GLU 50 HG2 GLU 50 2.163 -17.463 -11.706 1064 HG3 GLU 50 HG1 GLU 50 1.046 -17.098 -13.027 Start of MODEL 4 1 H1 ASN -16 HT1 ASN -16 -13.575 -35.277 -1.075 2 H2 ASN -16 HT2 ASN -16 -14.077 -34.765 0.463 3 H3 ASN -16 HT3 ASN -16 -13.000 -33.847 -0.443 4 HA ASN -16 HA ASN -16 -15.758 -34.357 -1.298 5 HB2 ASN -16 HB2 ASN -16 -14.498 -31.870 -0.073 6 HB3 ASN -16 HB1 ASN -16 -16.106 -31.934 -0.768 7 HD21 ASN -16 HD21 ASN -16 -17.071 -31.314 1.175 8 HD22 ASN -16 HD22 ASN -16 -17.170 -32.368 2.522 9 H HIS -15 HN HIS -15 -16.144 -33.620 -3.363 10 HA HIS -15 HA HIS -15 -13.786 -32.520 -4.771 11 HB2 HIS -15 HB2 HIS -15 -14.307 -34.914 -5.260 12 HB3 HIS -15 HB1 HIS -15 -15.859 -34.408 -5.903 13 HD1 HIS -15 HD1 HIS -15 -12.325 -34.877 -6.848 14 HD2 HIS -15 HD2 HIS -15 -15.648 -32.876 -8.347 15 HE1 HIS -15 HE1 HIS -15 -11.796 -34.329 -9.230 16 H LYS -14 HN LYS -14 -17.223 -32.304 -4.273 17 HA LYS -14 HA LYS -14 -17.532 -30.472 -6.510 18 HB2 LYS -14 HB2 LYS -14 -19.545 -31.554 -4.540 19 HB3 LYS -14 HB1 LYS -14 -19.935 -30.514 -5.904 20 HG2 LYS -14 HG2 LYS -14 -19.162 -32.186 -7.462 21 HG3 LYS -14 HG1 LYS -14 -18.618 -33.209 -6.138 22 HD2 LYS -14 HD2 LYS -14 -20.727 -34.009 -7.044 23 HD3 LYS -14 HD1 LYS -14 -20.941 -33.453 -5.386 24 HE2 LYS -14 HE2 LYS -14 -21.922 -31.380 -6.178 25 HE3 LYS -14 HE1 LYS -14 -21.594 -31.839 -7.852 26 HZ1 LYS -14 HZ1 LYS -14 -23.896 -32.259 -7.236 27 HZ2 LYS -14 HZ2 LYS -14 -23.397 -33.307 -6.009 28 HZ3 LYS -14 HZ3 LYS -14 -23.089 -33.679 -7.623 29 H VAL -13 HN VAL -13 -17.196 -30.431 -3.099 30 HA VAL -13 HA VAL -13 -17.226 -27.516 -3.125 31 HB VAL -13 HB VAL -13 -18.210 -27.556 -0.794 32 HG11 VAL -13 HG11 VAL -13 -19.674 -26.931 -2.575 33 HG12 VAL -13 HG12 VAL -13 -20.570 -28.034 -1.521 34 HG13 VAL -13 HG13 VAL -13 -19.902 -28.609 -3.044 35 HG21 VAL -13 HG21 VAL -13 -17.728 -29.866 -0.214 36 HG22 VAL -13 HG22 VAL -13 -18.817 -30.427 -1.481 37 HG23 VAL -13 HG23 VAL -13 -19.462 -29.553 -0.091 38 H HIS -12 HN HIS -12 -15.775 -26.621 -1.585 39 HA HIS -12 HA HIS -12 -13.843 -26.438 -0.455 40 HB2 HIS -12 HB2 HIS -12 -14.517 -29.241 0.497 41 HB3 HIS -12 HB1 HIS -12 -13.128 -28.342 1.088 42 HD1 HIS -12 HD1 HIS -12 -16.622 -28.979 1.962 43 HD2 HIS -12 HD2 HIS -12 -13.997 -25.752 2.271 44 HE1 HIS -12 HE1 HIS -12 -17.587 -27.473 3.674 45 H HIS -11 HN HIS -11 -14.006 -27.649 -3.131 46 HA HIS -11 HA HIS -11 -11.518 -29.177 -3.380 47 HB2 HIS -11 HB2 HIS -11 -13.478 -29.983 -4.606 48 HB3 HIS -11 HB1 HIS -11 -13.672 -28.425 -5.382 49 HD1 HIS -11 HD1 HIS -11 -11.639 -31.599 -5.572 50 HD2 HIS -11 HD2 HIS -11 -12.012 -27.984 -7.580 51 HE1 HIS -11 HE1 HIS -11 -10.460 -31.902 -7.754 52 H HIS -10 HN HIS -10 -12.995 -26.139 -4.287 53 HA HIS -10 HA HIS -10 -10.460 -25.195 -5.393 54 HB2 HIS -10 HB2 HIS -10 -13.279 -24.140 -5.652 55 HB3 HIS -10 HB1 HIS -10 -11.871 -23.222 -6.176 56 HD1 HIS -10 HD1 HIS -10 -14.331 -25.484 -7.495 57 HD2 HIS -10 HD2 HIS -10 -10.264 -24.829 -8.091 58 HE1 HIS -10 HE1 HIS -10 -13.761 -26.519 -9.730 59 H HIS -9 HN HIS -9 -11.474 -25.523 -2.587 60 HA HIS -9 HA HIS -9 -11.271 -22.846 -1.525 61 HB2 HIS -9 HB2 HIS -9 -12.764 -24.543 -0.473 62 HB3 HIS -9 HB1 HIS -9 -11.361 -25.542 -0.124 63 HD1 HIS -9 HD1 HIS -9 -10.741 -25.359 2.297 64 HD2 HIS -9 HD2 HIS -9 -12.304 -21.806 0.801 65 HE1 HIS -9 HE1 HIS -9 -10.805 -23.745 4.234 66 H HIS -8 HN HIS -8 -9.362 -21.952 -1.297 67 HA HIS -8 HA HIS -8 -6.962 -23.492 -1.581 68 HB2 HIS -8 HB2 HIS -8 -7.386 -20.526 -1.126 69 HB3 HIS -8 HB1 HIS -8 -5.808 -21.268 -1.374 70 HD1 HIS -8 HD1 HIS -8 -8.829 -20.081 -3.255 71 HD2 HIS -8 HD2 HIS -8 -5.357 -22.252 -3.989 72 HE1 HIS -8 HE1 HIS -8 -8.604 -20.220 -5.745 73 H HIS -7 HN HIS -7 -6.625 -24.744 0.086 74 HA HIS -7 HA HIS -7 -7.059 -23.935 2.799 75 HB2 HIS -7 HB2 HIS -7 -5.711 -26.400 1.671 76 HB3 HIS -7 HB1 HIS -7 -6.072 -26.150 3.366 77 HD1 HIS -7 HD1 HIS -7 -7.623 -27.239 0.157 78 HD2 HIS -7 HD2 HIS -7 -8.827 -26.247 4.015 79 HE1 HIS -7 HE1 HIS -7 -9.991 -28.005 0.354 80 H MET -6 HN MET -6 -4.319 -24.287 0.666 81 HA MET -6 HA MET -6 -2.606 -23.506 2.875 82 HB2 MET -6 HB2 MET -6 -1.823 -24.667 0.209 83 HB3 MET -6 HB1 MET -6 -0.703 -24.230 1.488 84 HG2 MET -6 HG2 MET -6 -2.811 -26.381 1.580 85 HG3 MET -6 HG1 MET -6 -1.067 -26.607 1.509 86 HE1 MET -6 HE1 MET -6 0.084 -25.416 5.059 87 HE2 MET -6 HE2 MET -6 -0.136 -24.288 3.736 88 HE3 MET -6 HE3 MET -6 0.577 -25.869 3.424 89 H SER -5 HN SER -5 -2.721 -21.444 3.057 90 HA SER -5 HA SER -5 -1.459 -19.868 0.947 91 HB2 SER -5 HB2 SER -5 -3.802 -19.049 2.700 92 HB3 SER -5 HB1 SER -5 -2.922 -17.955 1.632 93 HG SER -5 HG SER -5 -3.560 -19.923 0.118 94 H ASP -4 HN ASP -4 -0.748 -21.380 3.314 95 HA ASP -4 HA ASP -4 -0.390 -19.799 5.614 96 HB2 ASP -4 HB2 ASP -4 -0.498 -22.252 5.663 97 HB3 ASP -4 HB1 ASP -4 1.026 -22.332 4.797 98 H ASP -3 HN ASP -3 1.542 -20.392 2.898 99 HA ASP -3 HA ASP -3 3.829 -18.908 4.050 100 HB2 ASP -3 HB2 ASP -3 4.247 -21.095 2.863 101 HB3 ASP -3 HB1 ASP -3 3.678 -20.335 1.384 102 H ASP -2 HN ASP -2 1.263 -18.676 1.902 103 HA ASP -2 HA ASP -2 2.322 -16.639 0.185 104 HB2 ASP -2 HB2 ASP -2 0.813 -18.302 -0.677 105 HB3 ASP -2 HB1 ASP -2 -0.437 -17.803 0.450 106 H ASP -1 HN ASP -1 -0.213 -16.688 2.721 107 HA ASP -1 HA ASP -1 -0.482 -13.840 2.395 108 HB2 ASP -1 HB2 ASP -1 -1.942 -15.739 4.242 109 HB3 ASP -1 HB1 ASP -1 -2.220 -14.005 4.201 110 H LYS 0 HN LYS 0 1.408 -13.033 3.013 111 HA LYS 0 HA LYS 0 2.555 -13.415 5.603 112 HB2 LYS 0 HB2 LYS 0 3.928 -12.647 3.734 113 HB3 LYS 0 HB1 LYS 0 2.937 -11.204 3.563 114 HG2 LYS 0 HG2 LYS 0 3.713 -10.457 5.785 115 HG3 LYS 0 HG1 LYS 0 4.751 -11.879 5.878 116 HD2 LYS 0 HD2 LYS 0 5.984 -11.143 3.915 117 HD3 LYS 0 HD1 LYS 0 4.892 -9.774 3.721 118 HE2 LYS 0 HE2 LYS 0 6.729 -10.249 6.068 119 HE3 LYS 0 HE1 LYS 0 7.003 -9.096 4.766 120 HZ1 LYS 0 HZ1 LYS 0 4.920 -7.974 5.435 121 HZ2 LYS 0 HZ2 LYS 0 6.069 -7.946 6.659 122 HZ3 LYS 0 HZ3 LYS 0 4.777 -9.006 6.742 123 H GLY 1 HN GLY 1 0.091 -11.384 4.281 124 HA2 GLY 1 HA2 GLY 1 -0.136 -10.013 6.850 125 HA3 GLY 1 HA1 GLY 1 -0.499 -9.239 5.305 126 H ILE 2 HN ILE 2 -2.542 -8.897 6.339 127 HA ILE 2 HA ILE 2 -4.275 -11.179 6.814 128 HB ILE 2 HB ILE 2 -4.923 -8.210 6.753 129 HG12 ILE 2 HG12 ILE 2 -4.420 -10.033 9.125 130 HG13 ILE 2 HG11 ILE 2 -3.298 -8.825 8.516 131 HG21 ILE 2 HG21 ILE 2 -6.906 -9.571 6.358 132 HG22 ILE 2 HG22 ILE 2 -6.980 -8.826 7.956 133 HG23 ILE 2 HG23 ILE 2 -6.556 -10.531 7.795 134 HD11 ILE 2 HD11 ILE 2 -4.468 -8.031 10.492 135 HD12 ILE 2 HD12 ILE 2 -6.019 -8.283 9.691 136 HD13 ILE 2 HD13 ILE 2 -4.901 -7.062 9.083 137 H HIS 3 HN HIS 3 -5.459 -12.129 5.232 138 HA HIS 3 HA HIS 3 -5.533 -10.804 2.695 139 HB2 HIS 3 HB2 HIS 3 -6.663 -12.886 1.812 140 HB3 HIS 3 HB1 HIS 3 -5.062 -13.135 2.467 141 HD1 HIS 3 HD1 HIS 3 -5.134 -15.511 3.284 142 HD2 HIS 3 HD2 HIS 3 -8.523 -13.354 4.378 143 HE1 HIS 3 HE1 HIS 3 -6.485 -17.035 4.749 144 H SER 4 HN SER 4 -7.277 -10.225 1.522 145 HA SER 4 HA SER 4 -9.793 -9.782 2.989 146 HB2 SER 4 HB2 SER 4 -9.683 -7.421 2.222 147 HB3 SER 4 HB1 SER 4 -8.297 -7.857 3.213 148 HG SER 4 HG SER 4 -7.039 -8.069 1.479 149 H SER 5 HN SER 5 -10.700 -8.042 0.822 150 HA SER 5 HA SER 5 -10.334 -9.349 -1.643 151 HB2 SER 5 HB2 SER 5 -12.813 -9.819 -1.930 152 HB3 SER 5 HB1 SER 5 -11.953 -10.924 -0.863 153 HG SER 5 HG SER 5 -12.859 -10.003 0.865 154 H VAL 6 HN VAL 6 -10.570 -7.915 -3.192 155 HA VAL 6 HA VAL 6 -11.537 -5.272 -2.589 156 HB VAL 6 HB VAL 6 -10.807 -6.510 -5.276 157 HG11 VAL 6 HG11 VAL 6 -10.668 -4.203 -6.093 158 HG12 VAL 6 HG12 VAL 6 -11.190 -3.604 -4.521 159 HG13 VAL 6 HG13 VAL 6 -12.292 -4.562 -5.508 160 HG21 VAL 6 HG21 VAL 6 -8.717 -5.268 -5.029 161 HG22 VAL 6 HG22 VAL 6 -8.959 -6.446 -3.721 162 HG23 VAL 6 HG23 VAL 6 -9.274 -4.732 -3.438 163 H LYS 7 HN LYS 7 -13.626 -5.087 -2.298 164 HA LYS 7 HA LYS 7 -15.384 -6.668 -3.988 165 HB2 LYS 7 HB2 LYS 7 -15.824 -5.465 -1.244 166 HB3 LYS 7 HB1 LYS 7 -17.081 -6.248 -2.246 167 HG2 LYS 7 HG2 LYS 7 -14.601 -7.634 -1.323 168 HG3 LYS 7 HG1 LYS 7 -16.113 -7.624 -0.407 169 HD2 LYS 7 HD2 LYS 7 -17.249 -8.496 -2.442 170 HD3 LYS 7 HD1 LYS 7 -15.673 -8.687 -3.194 171 HE2 LYS 7 HE2 LYS 7 -14.975 -10.252 -1.512 172 HE3 LYS 7 HE1 LYS 7 -16.447 -9.987 -0.588 173 HZ1 LYS 7 HZ1 LYS 7 -17.727 -10.974 -2.337 174 HZ2 LYS 7 HZ2 LYS 7 -16.490 -12.033 -1.945 175 HZ3 LYS 7 HZ3 LYS 7 -16.391 -11.116 -3.345 176 H ARG 8 HN ARG 8 -17.523 -5.454 -4.372 177 HA ARG 8 HA ARG 8 -16.678 -2.878 -5.533 178 HB2 ARG 8 HB2 ARG 8 -17.571 -4.851 -6.910 179 HB3 ARG 8 HB1 ARG 8 -19.139 -4.322 -6.300 180 HG2 ARG 8 HG2 ARG 8 -18.658 -2.063 -7.157 181 HG3 ARG 8 HG1 ARG 8 -17.187 -2.700 -7.899 182 HD2 ARG 8 HD2 ARG 8 -19.959 -3.560 -8.316 183 HD3 ARG 8 HD1 ARG 8 -19.017 -2.630 -9.497 184 HE ARG 8 HE ARG 8 -18.386 -5.408 -8.660 185 HH11 ARG 8 HH11 ARG 8 -18.570 -2.995 -11.224 186 HH12 ARG 8 HH12 ARG 8 -18.147 -4.090 -12.468 187 HH21 ARG 8 HH21 ARG 8 -17.830 -6.893 -10.362 188 HH22 ARG 8 HH22 ARG 8 -17.702 -6.322 -11.964 189 H TRP 9 HN TRP 9 -17.345 -1.136 -4.560 190 HA TRP 9 HA TRP 9 -19.862 -1.129 -3.037 191 HB2 TRP 9 HB2 TRP 9 -17.673 -0.558 -1.904 192 HB3 TRP 9 HB1 TRP 9 -17.530 0.776 -2.998 193 HD1 TRP 9 HD1 TRP 9 -21.035 0.452 -1.687 194 HE1 TRP 9 HE1 TRP 9 -21.405 2.167 0.157 195 HE3 TRP 9 HE3 TRP 9 -16.190 2.120 -0.971 196 HZ2 TRP 9 HZ2 TRP 9 -19.996 4.001 1.602 197 HZ3 TRP 9 HZ3 TRP 9 -15.841 3.853 0.601 198 HH2 TRP 9 HH2 TRP 9 -17.768 4.778 1.936 199 H GLY 10 HN GLY 10 -21.344 -0.651 -4.634 200 HA2 GLY 10 HA2 GLY 10 -22.465 0.632 -6.147 201 HA3 GLY 10 HA1 GLY 10 -21.264 1.911 -5.899 202 H ASN 11 HN ASN 11 -20.475 2.337 -7.873 203 HA ASN 11 HA ASN 11 -19.492 0.026 -9.376 204 HB2 ASN 11 HB2 ASN 11 -19.932 2.882 -10.274 205 HB3 ASN 11 HB1 ASN 11 -19.131 1.667 -11.258 206 HD21 ASN 11 HD21 ASN 11 -21.465 3.080 -11.921 207 HD22 ASN 11 HD22 ASN 11 -22.763 1.955 -12.084 208 H SER 12 HN SER 12 -18.119 1.063 -6.901 209 HA SER 12 HA SER 12 -15.635 1.764 -8.186 210 HB2 SER 12 HB2 SER 12 -16.618 2.874 -5.521 211 HB3 SER 12 HB1 SER 12 -15.111 3.238 -6.361 212 HG SER 12 HG SER 12 -17.665 3.724 -7.454 213 HA PRO 13 HA PRO 13 -14.518 -1.985 -5.932 214 HB2 PRO 13 HB2 PRO 13 -11.779 -1.570 -6.382 215 HB3 PRO 13 HB1 PRO 13 -12.845 -2.553 -7.376 216 HG2 PRO 13 HG2 PRO 13 -11.799 0.155 -7.861 217 HG3 PRO 13 HG1 PRO 13 -12.371 -1.059 -9.011 218 HD2 PRO 13 HD2 PRO 13 -13.738 1.210 -8.302 219 HD3 PRO 13 HD1 PRO 13 -14.499 -0.238 -8.978 220 H ALA 14 HN ALA 14 -14.151 -2.138 -3.800 221 HA ALA 14 HA ALA 14 -12.735 0.051 -2.499 222 HB1 ALA 14 HB1 ALA 14 -14.373 0.062 -0.746 223 HB2 ALA 14 HB2 ALA 14 -15.279 -1.229 -1.539 224 HB3 ALA 14 HB3 ALA 14 -15.149 0.355 -2.299 225 H VAL 15 HN VAL 15 -11.435 -0.501 -0.884 226 HA VAL 15 HA VAL 15 -11.074 -3.357 -0.333 227 HB VAL 15 HB VAL 15 -9.106 -1.064 0.033 228 HG11 VAL 15 HG11 VAL 15 -7.446 -2.868 0.526 229 HG12 VAL 15 HG12 VAL 15 -8.788 -4.014 0.612 230 HG13 VAL 15 HG13 VAL 15 -8.689 -2.683 1.757 231 HG21 VAL 15 HG21 VAL 15 -9.094 -3.379 -1.892 232 HG22 VAL 15 HG22 VAL 15 -7.832 -2.156 -1.744 233 HG23 VAL 15 HG23 VAL 15 -9.444 -1.700 -2.299 234 H ARG 16 HN ARG 16 -11.578 -4.092 1.585 235 HA ARG 16 HA ARG 16 -12.646 -2.362 3.587 236 HB2 ARG 16 HB2 ARG 16 -12.200 -5.309 3.409 237 HB3 ARG 16 HB1 ARG 16 -12.878 -4.553 4.856 238 HG2 ARG 16 HG2 ARG 16 -14.709 -3.741 3.451 239 HG3 ARG 16 HG1 ARG 16 -14.013 -4.596 2.069 240 HD2 ARG 16 HD2 ARG 16 -14.170 -6.681 3.306 241 HD3 ARG 16 HD1 ARG 16 -14.866 -5.823 4.669 242 HE ARG 16 HE ARG 16 -16.640 -5.174 2.904 243 HH11 ARG 16 HH11 ARG 16 -15.103 -8.388 3.193 244 HH12 ARG 16 HH12 ARG 16 -16.461 -9.226 2.619 245 HH21 ARG 16 HH21 ARG 16 -18.474 -6.341 2.142 246 HH22 ARG 16 HH22 ARG 16 -18.417 -8.043 1.991 247 H ILE 17 HN ILE 17 -11.519 -1.430 5.151 248 HA ILE 17 HA ILE 17 -8.857 -2.447 5.821 249 HB ILE 17 HB ILE 17 -10.219 0.161 6.598 250 HG12 ILE 17 HG12 ILE 17 -9.719 0.101 4.234 251 HG13 ILE 17 HG11 ILE 17 -8.682 1.270 5.038 252 HG21 ILE 17 HG21 ILE 17 -7.346 -0.688 7.012 253 HG22 ILE 17 HG22 ILE 17 -8.566 -0.516 8.268 254 HG23 ILE 17 HG23 ILE 17 -8.006 0.907 7.383 255 HD11 ILE 17 HD11 ILE 17 -7.505 0.063 3.331 256 HD12 ILE 17 HD12 ILE 17 -7.923 -1.483 4.070 257 HD13 ILE 17 HD13 ILE 17 -6.839 -0.365 4.912 258 HA PRO 18 HA PRO 18 -10.727 -4.131 9.557 259 HB2 PRO 18 HB2 PRO 18 -8.020 -4.193 10.708 260 HB3 PRO 18 HB1 PRO 18 -9.117 -5.519 10.338 261 HG2 PRO 18 HG2 PRO 18 -6.856 -5.039 8.898 262 HG3 PRO 18 HG1 PRO 18 -8.295 -5.834 8.245 263 HD2 PRO 18 HD2 PRO 18 -7.329 -3.043 7.859 264 HD3 PRO 18 HD1 PRO 18 -8.199 -4.118 6.740 265 H ALA 19 HN ALA 19 -11.517 -3.050 11.259 266 HA ALA 19 HA ALA 19 -11.006 -0.351 11.771 267 HB1 ALA 19 HB1 ALA 19 -12.411 -0.622 13.749 268 HB2 ALA 19 HB2 ALA 19 -12.245 -2.373 13.643 269 HB3 ALA 19 HB3 ALA 19 -13.101 -1.493 12.379 270 H THR 20 HN THR 20 -9.565 -3.207 13.095 271 HA THR 20 HA THR 20 -8.222 -2.160 15.300 272 HB THR 20 HB THR 20 -7.309 -4.379 13.444 273 HG1 THR 20 HG1 THR 20 -8.483 -5.617 15.212 274 HG21 THR 20 HG21 THR 20 -6.836 -3.933 16.399 275 HG22 THR 20 HG22 THR 20 -5.650 -3.664 15.123 276 HG23 THR 20 HG23 THR 20 -6.244 -5.296 15.440 277 H LEU 21 HN LEU 21 -7.375 -2.221 11.843 278 HA LEU 21 HA LEU 21 -4.713 -1.222 12.215 279 HB2 LEU 21 HB2 LEU 21 -6.439 -1.858 9.895 280 HB3 LEU 21 HB1 LEU 21 -5.095 -0.765 9.639 281 HG LEU 21 HG LEU 21 -4.735 -3.124 9.097 282 HD11 LEU 21 HD11 LEU 21 -2.850 -1.577 9.505 283 HD12 LEU 21 HD12 LEU 21 -2.434 -3.170 10.142 284 HD13 LEU 21 HD13 LEU 21 -2.957 -1.887 11.235 285 HD21 LEU 21 HD21 LEU 21 -4.771 -3.409 12.073 286 HD22 LEU 21 HD22 LEU 21 -4.134 -4.660 10.991 287 HD23 LEU 21 HD23 LEU 21 -5.852 -4.218 10.938 288 H MET 22 HN MET 22 -7.735 0.020 11.365 289 HA MET 22 HA MET 22 -7.156 2.699 10.806 290 HB2 MET 22 HB2 MET 22 -9.469 1.594 12.393 291 HB3 MET 22 HB1 MET 22 -9.410 3.232 11.778 292 HG2 MET 22 HG2 MET 22 -9.318 0.762 10.046 293 HG3 MET 22 HG1 MET 22 -10.783 1.655 10.456 294 HE1 MET 22 HE1 MET 22 -11.375 3.969 9.713 295 HE2 MET 22 HE2 MET 22 -10.314 5.056 8.803 296 HE3 MET 22 HE3 MET 22 -9.902 4.584 10.456 297 H GLN 23 HN GLN 23 -7.877 1.269 13.826 298 HA GLN 23 HA GLN 23 -7.190 3.369 15.550 299 HB2 GLN 23 HB2 GLN 23 -7.157 0.398 15.905 300 HB3 GLN 23 HB1 GLN 23 -6.867 1.547 17.204 301 HG2 GLN 23 HG2 GLN 23 -9.001 2.482 16.926 302 HG3 GLN 23 HG1 GLN 23 -9.336 1.486 15.518 303 HE21 GLN 23 HE21 GLN 23 -9.878 -0.622 15.768 304 HE22 GLN 23 HE22 GLN 23 -10.312 -1.340 17.277 305 H ALA 24 HN ALA 24 -5.299 0.859 14.076 306 HA ALA 24 HA ALA 24 -3.009 1.102 15.767 307 HB1 ALA 24 HB1 ALA 24 -3.099 -0.044 12.979 308 HB2 ALA 24 HB2 ALA 24 -3.478 -0.931 14.455 309 HB3 ALA 24 HB3 ALA 24 -1.843 -0.321 14.185 310 H LEU 25 HN LEU 25 -3.803 2.458 12.687 311 HA LEU 25 HA LEU 25 -1.253 3.848 12.529 312 HB2 LEU 25 HB2 LEU 25 -3.564 3.615 10.654 313 HB3 LEU 25 HB1 LEU 25 -2.100 4.521 10.300 314 HG LEU 25 HG LEU 25 -2.063 1.591 10.987 315 HD11 LEU 25 HD11 LEU 25 -2.211 2.929 8.318 316 HD12 LEU 25 HD12 LEU 25 -3.427 1.880 9.055 317 HD13 LEU 25 HD13 LEU 25 -1.857 1.217 8.578 318 HD21 LEU 25 HD21 LEU 25 0.133 1.704 9.876 319 HD22 LEU 25 HD22 LEU 25 0.044 2.768 11.271 320 HD23 LEU 25 HD23 LEU 25 -0.092 3.437 9.647 321 H ASN 26 HN ASN 26 -4.387 4.333 13.561 322 HA ASN 26 HA ASN 26 -5.611 5.944 14.359 323 HB2 ASN 26 HB2 ASN 26 -3.688 6.595 15.758 324 HB3 ASN 26 HB1 ASN 26 -3.101 7.649 14.481 325 HD21 ASN 26 HD21 ASN 26 -3.226 9.478 15.783 326 HD22 ASN 26 HD22 ASN 26 -4.709 10.206 16.250 327 H LEU 27 HN LEU 27 -6.521 5.724 12.219 328 HA LEU 27 HA LEU 27 -6.813 8.369 11.139 329 HB2 LEU 27 HB2 LEU 27 -7.231 7.413 9.037 330 HB3 LEU 27 HB1 LEU 27 -5.562 7.095 9.494 331 HG LEU 27 HG LEU 27 -7.637 4.981 9.934 332 HD11 LEU 27 HD11 LEU 27 -7.377 4.230 7.662 333 HD12 LEU 27 HD12 LEU 27 -6.320 5.624 7.312 334 HD13 LEU 27 HD13 LEU 27 -8.027 5.875 7.729 335 HD21 LEU 27 HD21 LEU 27 -4.763 4.961 9.045 336 HD22 LEU 27 HD22 LEU 27 -5.749 3.537 9.378 337 HD23 LEU 27 HD23 LEU 27 -5.340 4.658 10.685 338 H ASN 28 HN ASN 28 -8.935 8.570 10.210 339 HA ASN 28 HA ASN 28 -10.886 6.657 11.244 340 HB2 ASN 28 HB2 ASN 28 -11.014 9.673 11.562 341 HB3 ASN 28 HB1 ASN 28 -12.390 8.611 11.817 342 HD21 ASN 28 HD21 ASN 28 -9.387 9.746 13.063 343 HD22 ASN 28 HD22 ASN 28 -9.512 9.059 14.633 344 H ILE 29 HN ILE 29 -13.121 7.582 10.272 345 HA ILE 29 HA ILE 29 -12.845 7.323 7.478 346 HB ILE 29 HB ILE 29 -15.226 8.333 9.087 347 HG12 ILE 29 HG12 ILE 29 -14.590 6.077 9.773 348 HG13 ILE 29 HG11 ILE 29 -16.108 6.034 8.893 349 HG21 ILE 29 HG21 ILE 29 -15.133 7.271 6.279 350 HG22 ILE 29 HG22 ILE 29 -15.463 8.947 6.741 351 HG23 ILE 29 HG23 ILE 29 -16.596 7.659 7.169 352 HD11 ILE 29 HD11 ILE 29 -14.797 5.317 6.879 353 HD12 ILE 29 HD12 ILE 29 -14.810 4.182 8.213 354 HD13 ILE 29 HD13 ILE 29 -13.385 5.182 7.932 355 H ASP 30 HN ASP 30 -13.021 8.844 5.872 356 HA ASP 30 HA ASP 30 -12.868 10.770 4.760 357 HB2 ASP 30 HB2 ASP 30 -13.553 12.067 7.381 358 HB3 ASP 30 HB1 ASP 30 -13.008 13.045 6.021 359 H ASP 31 HN ASP 31 -10.689 9.409 6.346 360 HA ASP 31 HA ASP 31 -8.670 11.437 6.421 361 HB2 ASP 31 HB2 ASP 31 -8.666 9.214 7.724 362 HB3 ASP 31 HB1 ASP 31 -8.217 8.453 6.199 363 H GLU 32 HN GLU 32 -7.676 12.122 4.728 364 HA GLU 32 HA GLU 32 -8.320 11.037 2.133 365 HB2 GLU 32 HB2 GLU 32 -8.502 13.480 2.574 366 HB3 GLU 32 HB1 GLU 32 -6.809 13.504 3.006 367 HG2 GLU 32 HG2 GLU 32 -6.096 13.272 0.879 368 HG3 GLU 32 HG1 GLU 32 -7.618 12.556 0.331 369 H VAL 33 HN VAL 33 -7.084 9.331 1.617 370 HA VAL 33 HA VAL 33 -4.330 9.376 2.603 371 HB VAL 33 HB VAL 33 -4.225 7.073 2.639 372 HG11 VAL 33 HG11 VAL 33 -6.154 6.183 3.680 373 HG12 VAL 33 HG12 VAL 33 -7.111 7.470 2.962 374 HG13 VAL 33 HG13 VAL 33 -5.873 7.873 4.196 375 HG21 VAL 33 HG21 VAL 33 -4.801 6.559 0.336 376 HG22 VAL 33 HG22 VAL 33 -6.500 6.880 0.675 377 HG23 VAL 33 HG23 VAL 33 -5.701 5.499 1.426 378 H LYS 34 HN LYS 34 -2.766 8.465 1.274 379 HA LYS 34 HA LYS 34 -3.079 9.400 -1.521 380 HB2 LYS 34 HB2 LYS 34 -0.561 8.755 -0.014 381 HB3 LYS 34 HB1 LYS 34 -0.599 9.202 -1.704 382 HG2 LYS 34 HG2 LYS 34 -1.479 11.423 -1.081 383 HG3 LYS 34 HG1 LYS 34 -1.390 10.950 0.619 384 HD2 LYS 34 HD2 LYS 34 0.960 11.128 -1.288 385 HD3 LYS 34 HD1 LYS 34 0.570 12.296 -0.025 386 HE2 LYS 34 HE2 LYS 34 0.869 10.556 1.675 387 HE3 LYS 34 HE1 LYS 34 1.257 9.402 0.370 388 HZ1 LYS 34 HZ1 LYS 34 2.849 11.793 1.111 389 HZ2 LYS 34 HZ2 LYS 34 3.231 10.694 -0.111 390 HZ3 LYS 34 HZ3 LYS 34 3.231 10.193 1.468 391 H ILE 35 HN ILE 35 -3.364 7.944 -3.035 392 HA ILE 35 HA ILE 35 -2.365 5.232 -2.638 393 HB ILE 35 HB ILE 35 -3.992 6.420 -4.930 394 HG12 ILE 35 HG12 ILE 35 -5.704 4.662 -4.266 395 HG13 ILE 35 HG11 ILE 35 -4.745 4.367 -2.824 396 HG21 ILE 35 HG21 ILE 35 -4.049 4.183 -5.929 397 HG22 ILE 35 HG22 ILE 35 -2.985 3.600 -4.647 398 HG23 ILE 35 HG23 ILE 35 -2.410 4.810 -5.788 399 HD11 ILE 35 HD11 ILE 35 -6.665 5.806 -2.372 400 HD12 ILE 35 HD12 ILE 35 -6.072 6.952 -3.571 401 HD13 ILE 35 HD13 ILE 35 -5.145 6.656 -2.106 402 H ASP 36 HN ASP 36 -0.274 5.108 -3.024 403 HA ASP 36 HA ASP 36 0.731 6.451 -5.425 404 HB2 ASP 36 HB2 ASP 36 1.541 7.521 -3.342 405 HB3 ASP 36 HB1 ASP 36 2.244 6.068 -2.782 406 H LEU 37 HN LEU 37 1.829 5.065 -6.899 407 HA LEU 37 HA LEU 37 1.704 2.347 -6.130 408 HB2 LEU 37 HB2 LEU 37 0.622 3.554 -8.189 409 HB3 LEU 37 HB1 LEU 37 2.253 3.479 -8.816 410 HG LEU 37 HG LEU 37 0.940 1.674 -9.701 411 HD11 LEU 37 HD11 LEU 37 2.926 0.780 -7.740 412 HD12 LEU 37 HD12 LEU 37 3.217 1.330 -9.382 413 HD13 LEU 37 HD13 LEU 37 2.333 -0.204 -9.103 414 HD21 LEU 37 HD21 LEU 37 -0.630 1.586 -7.807 415 HD22 LEU 37 HD22 LEU 37 0.577 0.663 -6.896 416 HD23 LEU 37 HD23 LEU 37 -0.097 0.018 -8.392 417 H VAL 38 HN VAL 38 3.424 1.347 -5.828 418 HA VAL 38 HA VAL 38 6.070 2.132 -6.824 419 HB VAL 38 HB VAL 38 5.594 1.655 -3.870 420 HG11 VAL 38 HG11 VAL 38 8.096 2.524 -5.314 421 HG12 VAL 38 HG12 VAL 38 7.792 0.939 -4.605 422 HG13 VAL 38 HG13 VAL 38 7.939 2.358 -3.564 423 HG21 VAL 38 HG21 VAL 38 6.224 4.293 -5.209 424 HG22 VAL 38 HG22 VAL 38 6.195 4.027 -3.468 425 HG23 VAL 38 HG23 VAL 38 4.715 3.854 -4.411 426 H ASP 39 HN ASP 39 7.189 0.264 -7.308 427 HA ASP 39 HA ASP 39 7.799 -1.923 -7.505 428 HB2 ASP 39 HB2 ASP 39 6.755 -1.974 -4.682 429 HB3 ASP 39 HB1 ASP 39 7.338 -3.440 -5.458 430 H GLY 40 HN GLY 40 5.062 -1.043 -8.247 431 HA2 GLY 40 HA2 GLY 40 3.259 -2.061 -9.262 432 HA3 GLY 40 HA1 GLY 40 4.077 -3.595 -9.014 433 H LYS 41 HN LYS 41 3.525 -1.594 -6.203 434 HA LYS 41 HA LYS 41 1.150 -3.158 -5.591 435 HB2 LYS 41 HB2 LYS 41 1.896 -3.433 -3.259 436 HB3 LYS 41 HB1 LYS 41 3.057 -4.187 -4.351 437 HG2 LYS 41 HG2 LYS 41 4.342 -1.950 -4.033 438 HG3 LYS 41 HG1 LYS 41 3.258 -1.734 -2.680 439 HD2 LYS 41 HD2 LYS 41 3.970 -3.851 -1.689 440 HD3 LYS 41 HD1 LYS 41 5.058 -4.132 -3.046 441 HE2 LYS 41 HE2 LYS 41 6.308 -2.103 -2.460 442 HE3 LYS 41 HE1 LYS 41 5.240 -1.831 -1.091 443 HZ1 LYS 41 HZ1 LYS 41 7.185 -2.876 -0.264 444 HZ2 LYS 41 HZ2 LYS 41 7.194 -4.028 -1.459 445 HZ3 LYS 41 HZ3 LYS 41 6.028 -4.094 -0.268 446 H LEU 42 HN LEU 42 -0.141 -2.111 -3.896 447 HA LEU 42 HA LEU 42 -0.135 0.715 -4.471 448 HB2 LEU 42 HB2 LEU 42 -2.165 -1.106 -3.197 449 HB3 LEU 42 HB1 LEU 42 -2.378 0.638 -3.286 450 HG LEU 42 HG LEU 42 -1.859 -0.911 -5.740 451 HD11 LEU 42 HD11 LEU 42 -3.680 -2.152 -4.569 452 HD12 LEU 42 HD12 LEU 42 -4.347 -1.288 -5.956 453 HD13 LEU 42 HD13 LEU 42 -4.557 -0.640 -4.331 454 HD21 LEU 42 HD21 LEU 42 -3.299 0.770 -6.767 455 HD22 LEU 42 HD22 LEU 42 -2.039 1.588 -5.862 456 HD23 LEU 42 HD23 LEU 42 -3.663 1.450 -5.202 457 H ILE 43 HN ILE 43 0.725 2.010 -3.240 458 HA ILE 43 HA ILE 43 1.347 1.211 -0.518 459 HB ILE 43 HB ILE 43 2.263 3.437 -2.260 460 HG12 ILE 43 HG12 ILE 43 3.191 1.451 -3.044 461 HG13 ILE 43 HG11 ILE 43 4.485 2.306 -2.190 462 HG21 ILE 43 HG21 ILE 43 3.183 2.802 0.544 463 HG22 ILE 43 HG22 ILE 43 2.348 4.262 -0.015 464 HG23 ILE 43 HG23 ILE 43 3.996 3.939 -0.537 465 HD11 ILE 43 HD11 ILE 43 4.118 0.783 -0.274 466 HD12 ILE 43 HD12 ILE 43 4.592 -0.038 -1.764 467 HD13 ILE 43 HD13 ILE 43 2.919 -0.089 -1.247 468 H ILE 44 HN ILE 44 0.187 1.956 0.986 469 HA ILE 44 HA ILE 44 -1.618 4.200 0.403 470 HB ILE 44 HB ILE 44 -2.222 1.687 1.963 471 HG12 ILE 44 HG12 ILE 44 -2.356 1.313 -0.442 472 HG13 ILE 44 HG11 ILE 44 -3.958 1.243 0.271 473 HG21 ILE 44 HG21 ILE 44 -3.288 3.572 3.061 474 HG22 ILE 44 HG22 ILE 44 -4.510 2.577 2.272 475 HG23 ILE 44 HG23 ILE 44 -3.993 4.092 1.530 476 HD11 ILE 44 HD11 ILE 44 -2.790 3.545 -1.281 477 HD12 ILE 44 HD12 ILE 44 -4.391 3.521 -0.539 478 HD13 ILE 44 HD13 ILE 44 -4.008 2.400 -1.846 479 H GLU 45 HN GLU 45 -1.217 5.805 1.648 480 HA GLU 45 HA GLU 45 -0.191 5.304 4.346 481 HB2 GLU 45 HB2 GLU 45 0.648 7.512 2.482 482 HB3 GLU 45 HB1 GLU 45 1.159 7.376 4.153 483 HG2 GLU 45 HG2 GLU 45 2.395 5.340 3.576 484 HG3 GLU 45 HG1 GLU 45 1.962 5.503 1.885 485 HA PRO 46 HA PRO 46 -3.497 8.147 5.012 486 HB2 PRO 46 HB2 PRO 46 -2.973 8.621 7.697 487 HB3 PRO 46 HB1 PRO 46 -3.898 7.257 7.063 488 HG2 PRO 46 HG2 PRO 46 -1.447 7.231 8.352 489 HG3 PRO 46 HG1 PRO 46 -2.250 5.839 7.559 490 HD2 PRO 46 HD2 PRO 46 -0.092 7.661 6.566 491 HD3 PRO 46 HD1 PRO 46 -0.272 5.976 6.128 492 H VAL 47 HN VAL 47 -3.830 10.178 5.549 493 HA VAL 47 HA VAL 47 -1.435 11.945 5.560 494 HB VAL 47 HB VAL 47 -3.802 12.426 3.759 495 HG11 VAL 47 HG11 VAL 47 -1.141 13.741 3.931 496 HG12 VAL 47 HG12 VAL 47 -2.743 14.457 4.297 497 HG13 VAL 47 HG13 VAL 47 -2.324 13.941 2.643 498 HG21 VAL 47 HG21 VAL 47 -2.566 11.803 1.952 499 HG22 VAL 47 HG22 VAL 47 -2.541 10.511 3.210 500 HG23 VAL 47 HG23 VAL 47 -1.096 11.516 2.932 501 H ARG 48 HN ARG 48 -1.590 13.534 6.953 502 HA ARG 48 HA ARG 48 -4.250 14.196 7.847 503 HB2 ARG 48 HB2 ARG 48 -3.213 15.362 9.665 504 HB3 ARG 48 HB1 ARG 48 -2.560 13.736 9.600 505 HG2 ARG 48 HG2 ARG 48 -0.507 14.559 8.636 506 HG3 ARG 48 HG1 ARG 48 -1.171 16.192 8.529 507 HD2 ARG 48 HD2 ARG 48 0.200 16.077 10.464 508 HD3 ARG 48 HD1 ARG 48 -1.512 16.137 10.930 509 HE ARG 48 HE ARG 48 -0.363 13.499 10.704 510 HH11 ARG 48 HH11 ARG 48 -1.324 16.103 12.942 511 HH12 ARG 48 HH12 ARG 48 -1.191 15.100 14.308 512 HH21 ARG 48 HH21 ARG 48 -0.278 12.186 12.508 513 HH22 ARG 48 HH22 ARG 48 -0.570 12.813 14.077 514 H LYS 49 HN LYS 49 -5.149 15.967 7.083 515 HA LYS 49 HA LYS 49 -3.421 17.840 5.689 516 HB2 LYS 49 HB2 LYS 49 -6.447 17.522 5.647 517 HB3 LYS 49 HB1 LYS 49 -5.535 18.698 4.727 518 HG2 LYS 49 HG2 LYS 49 -5.290 15.702 4.346 519 HG3 LYS 49 HG1 LYS 49 -6.373 16.714 3.403 520 HD2 LYS 49 HD2 LYS 49 -4.385 17.956 2.528 521 HD3 LYS 49 HD1 LYS 49 -3.322 16.886 3.441 522 HE2 LYS 49 HE2 LYS 49 -4.173 14.956 2.202 523 HE3 LYS 49 HE1 LYS 49 -5.251 16.007 1.298 524 HZ1 LYS 49 HZ1 LYS 49 -2.280 16.138 1.258 525 HZ2 LYS 49 HZ2 LYS 49 -3.314 17.095 0.323 526 HZ3 LYS 49 HZ3 LYS 49 -3.207 15.441 0.059 527 H GLU 50 HN GLU 50 -2.618 18.988 7.121 528 HA GLU 50 HA GLU 50 -4.220 20.228 9.199 529 HB2 GLU 50 HB2 GLU 50 -3.244 18.031 10.002 530 HB3 GLU 50 HB1 GLU 50 -1.653 18.677 9.654 531 HG2 GLU 50 HG2 GLU 50 -2.132 20.498 11.291 532 HG3 GLU 50 HG1 GLU 50 -3.615 19.645 11.715 533 H1 ASN -16 HT1 ASN -16 -12.316 35.442 1.156 534 H2 ASN -16 HT2 ASN -16 -12.971 34.884 -0.314 535 H3 ASN -16 HT3 ASN -16 -11.914 33.921 0.565 536 HA ASN -16 HA ASN -16 -14.571 34.749 1.516 537 HB2 ASN -16 HB2 ASN -16 -13.615 32.078 0.451 538 HB3 ASN -16 HB1 ASN -16 -15.192 32.394 1.134 539 HD21 ASN -16 HD21 ASN -16 -16.265 31.796 -0.713 540 HD22 ASN -16 HD22 ASN -16 -16.234 32.759 -2.139 541 H HIS -15 HN HIS -15 -15.097 33.910 3.553 542 HA HIS -15 HA HIS -15 -12.791 32.774 4.995 543 HB2 HIS -15 HB2 HIS -15 -13.176 35.175 5.567 544 HB3 HIS -15 HB1 HIS -15 -14.798 34.770 6.088 545 HD1 HIS -15 HD1 HIS -15 -11.354 35.042 7.330 546 HD2 HIS -15 HD2 HIS -15 -14.838 33.068 8.454 547 HE1 HIS -15 HE1 HIS -15 -11.069 34.449 9.744 548 H LYS -14 HN LYS -14 -16.268 32.793 4.533 549 HA LYS -14 HA LYS -14 -16.605 30.851 6.652 550 HB2 LYS -14 HB2 LYS -14 -18.610 32.140 4.805 551 HB3 LYS -14 HB1 LYS -14 -19.014 31.067 6.148 552 HG2 LYS -14 HG2 LYS -14 -18.128 32.612 7.736 553 HG3 LYS -14 HG1 LYS -14 -17.492 33.642 6.462 554 HD2 LYS -14 HD2 LYS -14 -19.495 34.620 7.369 555 HD3 LYS -14 HD1 LYS -14 -19.808 34.084 5.721 556 HE2 LYS -14 HE2 LYS -14 -20.934 32.105 6.556 557 HE3 LYS -14 HE1 LYS -14 -20.544 32.557 8.217 558 HZ1 LYS -14 HZ1 LYS -14 -22.809 33.160 7.646 559 HZ2 LYS -14 HZ2 LYS -14 -22.281 34.071 6.353 560 HZ3 LYS -14 HZ3 LYS -14 -21.906 34.553 7.925 561 H VAL -13 HN VAL -13 -16.240 30.891 3.257 562 HA VAL -13 HA VAL -13 -16.279 27.978 3.303 563 HB VAL -13 HB VAL -13 -17.143 27.867 0.967 564 HG11 VAL -13 HG11 VAL -13 -19.490 28.200 1.423 565 HG12 VAL -13 HG12 VAL -13 -19.100 29.276 2.753 566 HG13 VAL -13 HG13 VAL -13 -18.694 27.567 2.867 567 HG21 VAL -13 HG21 VAL -13 -16.549 30.109 0.210 568 HG22 VAL -13 HG22 VAL -13 -17.748 30.805 1.301 569 HG23 VAL -13 HG23 VAL -13 -18.268 29.800 -0.051 570 H HIS -12 HN HIS -12 -14.835 27.030 1.714 571 HA HIS -12 HA HIS -12 -12.859 26.809 0.682 572 HB2 HIS -12 HB2 HIS -12 -13.455 29.625 -0.260 573 HB3 HIS -12 HB1 HIS -12 -12.049 28.717 -0.808 574 HD1 HIS -12 HD1 HIS -12 -15.411 29.444 -1.899 575 HD2 HIS -12 HD2 HIS -12 -12.955 26.076 -1.904 576 HE1 HIS -12 HE1 HIS -12 -16.394 27.863 -3.565 577 H HIS -11 HN HIS -11 -13.051 28.050 3.381 578 HA HIS -11 HA HIS -11 -10.522 29.494 3.614 579 HB2 HIS -11 HB2 HIS -11 -12.488 30.349 4.809 580 HB3 HIS -11 HB1 HIS -11 -12.654 28.823 5.656 581 HD1 HIS -11 HD1 HIS -11 -10.457 31.916 5.564 582 HD2 HIS -11 HD2 HIS -11 -11.098 28.535 7.895 583 HE1 HIS -11 HE1 HIS -11 -9.227 32.302 7.709 584 H HIS -10 HN HIS -10 -12.051 26.508 4.586 585 HA HIS -10 HA HIS -10 -9.538 25.560 5.758 586 HB2 HIS -10 HB2 HIS -10 -12.369 24.539 5.978 587 HB3 HIS -10 HB1 HIS -10 -10.986 23.597 6.527 588 HD1 HIS -10 HD1 HIS -10 -13.343 26.178 7.657 589 HD2 HIS -10 HD2 HIS -10 -9.497 24.934 8.622 590 HE1 HIS -10 HE1 HIS -10 -12.861 27.104 9.948 591 H HIS -9 HN HIS -9 -10.563 25.826 2.905 592 HA HIS -9 HA HIS -9 -10.390 23.137 1.897 593 HB2 HIS -9 HB2 HIS -9 -11.773 24.887 0.764 594 HB3 HIS -9 HB1 HIS -9 -10.305 25.792 0.419 595 HD1 HIS -9 HD1 HIS -9 -9.795 25.520 -2.030 596 HD2 HIS -9 HD2 HIS -9 -11.244 22.023 -0.324 597 HE1 HIS -9 HE1 HIS -9 -9.810 23.797 -3.864 598 H HIS -8 HN HIS -8 -8.551 22.129 1.515 599 HA HIS -8 HA HIS -8 -6.112 23.573 1.914 600 HB2 HIS -8 HB2 HIS -8 -6.614 20.628 1.414 601 HB3 HIS -8 HB1 HIS -8 -5.023 21.324 1.697 602 HD1 HIS -8 HD1 HIS -8 -8.154 20.337 3.472 603 HD2 HIS -8 HD2 HIS -8 -4.529 22.170 4.320 604 HE1 HIS -8 HE1 HIS -8 -7.985 20.422 5.989 605 H HIS -7 HN HIS -7 -5.612 24.786 0.326 606 HA HIS -7 HA HIS -7 -6.067 24.033 -2.425 607 HB2 HIS -7 HB2 HIS -7 -4.743 26.479 -1.235 608 HB3 HIS -7 HB1 HIS -7 -5.077 26.248 -2.943 609 HD1 HIS -7 HD1 HIS -7 -6.669 27.391 0.216 610 HD2 HIS -7 HD2 HIS -7 -7.829 26.248 -3.604 611 HE1 HIS -7 HE1 HIS -7 -9.024 28.169 -0.043 612 H MET -6 HN MET -6 -3.475 24.101 -0.147 613 HA MET -6 HA MET -6 -1.687 23.414 -2.329 614 HB2 MET -6 HB2 MET -6 -0.968 24.691 0.303 615 HB3 MET -6 HB1 MET -6 0.198 24.160 -0.896 616 HG2 MET -6 HG2 MET -6 -1.866 26.328 -1.215 617 HG3 MET -6 HG1 MET -6 -0.120 26.526 -1.097 618 HE1 MET -6 HE1 MET -6 1.593 25.906 -3.146 619 HE2 MET -6 HE2 MET -6 1.069 24.934 -4.525 620 HE3 MET -6 HE3 MET -6 1.023 24.260 -2.900 621 H SER -5 HN SER -5 -1.862 21.366 -2.470 622 HA SER -5 HA SER -5 -0.571 19.798 -0.382 623 HB2 SER -5 HB2 SER -5 -3.026 19.034 -1.988 624 HB3 SER -5 HB1 SER -5 -2.123 17.913 -0.972 625 HG SER -5 HG SER -5 -2.776 20.186 0.345 626 H ASP -4 HN ASP -4 0.151 21.232 -2.709 627 HA ASP -4 HA ASP -4 0.414 19.751 -5.100 628 HB2 ASP -4 HB2 ASP -4 0.449 22.222 -4.856 629 HB3 ASP -4 HB1 ASP -4 1.998 22.091 -4.049 630 H ASP -3 HN ASP -3 2.338 20.277 -2.377 631 HA ASP -3 HA ASP -3 4.594 18.649 -3.347 632 HB2 ASP -3 HB2 ASP -3 5.095 20.742 -2.213 633 HB3 ASP -3 HB1 ASP -3 4.222 20.208 -0.782 634 H ASP -2 HN ASP -2 1.885 18.498 -1.293 635 HA ASP -2 HA ASP -2 2.854 16.425 0.433 636 HB2 ASP -2 HB2 ASP -2 1.333 18.072 1.332 637 HB3 ASP -2 HB1 ASP -2 0.109 17.624 0.155 638 H ASP -1 HN ASP -1 0.388 16.526 -2.157 639 HA ASP -1 HA ASP -1 0.027 13.689 -1.797 640 HB2 ASP -1 HB2 ASP -1 -1.259 15.552 -3.794 641 HB3 ASP -1 HB1 ASP -1 -1.630 13.846 -3.633 642 H LYS 0 HN LYS 0 1.927 12.788 -2.366 643 HA LYS 0 HA LYS 0 3.161 13.141 -4.915 644 HB2 LYS 0 HB2 LYS 0 4.424 12.217 -3.030 645 HB3 LYS 0 HB1 LYS 0 3.342 10.835 -2.944 646 HG2 LYS 0 HG2 LYS 0 4.121 10.151 -5.201 647 HG3 LYS 0 HG1 LYS 0 5.264 11.496 -5.176 648 HD2 LYS 0 HD2 LYS 0 6.349 10.559 -3.206 649 HD3 LYS 0 HD1 LYS 0 5.181 9.242 -3.171 650 HE2 LYS 0 HE2 LYS 0 7.165 9.791 -5.387 651 HE3 LYS 0 HE1 LYS 0 7.309 8.529 -4.167 652 HZ1 LYS 0 HZ1 LYS 0 5.219 7.564 -5.047 653 HZ2 LYS 0 HZ2 LYS 0 6.428 7.590 -6.220 654 HZ3 LYS 0 HZ3 LYS 0 5.200 8.720 -6.258 655 H GLY 1 HN GLY 1 0.623 11.148 -3.661 656 HA2 GLY 1 HA2 GLY 1 0.361 9.841 -6.274 657 HA3 GLY 1 HA1 GLY 1 -0.107 9.093 -4.751 658 H ILE 2 HN ILE 2 -2.138 8.790 -5.636 659 HA ILE 2 HA ILE 2 -3.782 11.110 -6.268 660 HB ILE 2 HB ILE 2 -4.483 8.155 -6.178 661 HG12 ILE 2 HG12 ILE 2 -3.918 9.943 -8.559 662 HG13 ILE 2 HG11 ILE 2 -2.816 8.731 -7.919 663 HG21 ILE 2 HG21 ILE 2 -6.459 9.536 -5.837 664 HG22 ILE 2 HG22 ILE 2 -6.511 8.780 -7.430 665 HG23 ILE 2 HG23 ILE 2 -6.067 10.481 -7.273 666 HD11 ILE 2 HD11 ILE 2 -3.956 7.932 -9.907 667 HD12 ILE 2 HD12 ILE 2 -5.520 8.204 -9.137 668 HD13 ILE 2 HD13 ILE 2 -4.426 6.979 -8.500 669 H HIS 3 HN HIS 3 -4.955 12.136 -4.715 670 HA HIS 3 HA HIS 3 -5.122 10.884 -2.142 671 HB2 HIS 3 HB2 HIS 3 -6.191 13.031 -1.350 672 HB3 HIS 3 HB1 HIS 3 -4.568 13.199 -1.980 673 HD1 HIS 3 HD1 HIS 3 -4.558 15.556 -2.851 674 HD2 HIS 3 HD2 HIS 3 -7.955 13.456 -4.026 675 HE1 HIS 3 HE1 HIS 3 -5.825 17.071 -4.418 676 H SER 4 HN SER 4 -6.811 10.190 -1.072 677 HA SER 4 HA SER 4 -9.358 9.877 -2.544 678 HB2 SER 4 HB2 SER 4 -9.312 7.533 -1.650 679 HB3 SER 4 HB1 SER 4 -7.950 7.899 -2.705 680 HG SER 4 HG SER 4 -6.646 8.130 -1.011 681 H SER 5 HN SER 5 -10.392 8.248 -0.373 682 HA SER 5 HA SER 5 -9.995 9.546 2.074 683 HB2 SER 5 HB2 SER 5 -12.401 10.268 2.348 684 HB3 SER 5 HB1 SER 5 -11.465 11.259 1.233 685 HG SER 5 HG SER 5 -12.417 9.921 -0.469 686 H VAL 6 HN VAL 6 -10.306 8.121 3.584 687 HA VAL 6 HA VAL 6 -11.425 5.551 2.983 688 HB VAL 6 HB VAL 6 -10.697 6.774 5.678 689 HG11 VAL 6 HG11 VAL 6 -10.680 4.468 6.516 690 HG12 VAL 6 HG12 VAL 6 -11.217 3.881 4.944 691 HG13 VAL 6 HG13 VAL 6 -12.278 4.906 5.911 692 HG21 VAL 6 HG21 VAL 6 -8.661 5.431 5.490 693 HG22 VAL 6 HG22 VAL 6 -8.815 6.602 4.167 694 HG23 VAL 6 HG23 VAL 6 -9.201 4.904 3.893 695 H LYS 7 HN LYS 7 -13.519 5.368 2.710 696 HA LYS 7 HA LYS 7 -15.250 7.079 4.303 697 HB2 LYS 7 HB2 LYS 7 -15.681 5.834 1.578 698 HB3 LYS 7 HB1 LYS 7 -16.929 6.678 2.541 699 HG2 LYS 7 HG2 LYS 7 -14.392 7.949 1.596 700 HG3 LYS 7 HG1 LYS 7 -15.909 7.990 0.694 701 HD2 LYS 7 HD2 LYS 7 -16.969 8.920 2.775 702 HD3 LYS 7 HD1 LYS 7 -15.342 9.124 3.420 703 HE2 LYS 7 HE2 LYS 7 -14.750 10.590 1.592 704 HE3 LYS 7 HE1 LYS 7 -16.318 10.328 0.831 705 HZ1 LYS 7 HZ1 LYS 7 -16.412 12.392 1.973 706 HZ2 LYS 7 HZ2 LYS 7 -15.740 11.772 3.362 707 HZ3 LYS 7 HZ3 LYS 7 -17.295 11.318 2.930 708 H ARG 8 HN ARG 8 -17.442 5.934 4.699 709 HA ARG 8 HA ARG 8 -16.674 3.343 5.830 710 HB2 ARG 8 HB2 ARG 8 -17.520 5.258 7.293 711 HB3 ARG 8 HB1 ARG 8 -19.104 4.928 6.605 712 HG2 ARG 8 HG2 ARG 8 -18.896 2.584 7.402 713 HG3 ARG 8 HG1 ARG 8 -17.402 3.044 8.214 714 HD2 ARG 8 HD2 ARG 8 -20.175 4.090 8.752 715 HD3 ARG 8 HD1 ARG 8 -19.188 3.078 9.803 716 HE ARG 8 HE ARG 8 -18.331 5.776 9.065 717 HH11 ARG 8 HH11 ARG 8 -19.216 3.470 11.611 718 HH12 ARG 8 HH12 ARG 8 -18.786 4.511 12.890 719 HH21 ARG 8 HH21 ARG 8 -17.782 7.192 10.838 720 HH22 ARG 8 HH22 ARG 8 -17.955 6.669 12.436 721 H TRP 9 HN TRP 9 -17.382 1.610 4.904 722 HA TRP 9 HA TRP 9 -19.842 1.668 3.287 723 HB2 TRP 9 HB2 TRP 9 -17.642 0.995 2.217 724 HB3 TRP 9 HB1 TRP 9 -17.584 -0.325 3.337 725 HD1 TRP 9 HD1 TRP 9 -21.047 0.081 1.965 726 HE1 TRP 9 HE1 TRP 9 -21.447 -1.620 0.136 727 HE3 TRP 9 HE3 TRP 9 -16.247 -1.721 1.302 728 HZ2 TRP 9 HZ2 TRP 9 -20.083 -3.498 -1.300 729 HZ3 TRP 9 HZ3 TRP 9 -15.941 -3.471 -0.278 730 HH2 TRP 9 HH2 TRP 9 -17.878 -4.340 -1.614 731 H GLY 10 HN GLY 10 -21.398 1.270 4.852 732 HA2 GLY 10 HA2 GLY 10 -22.611 0.012 6.321 733 HA3 GLY 10 HA1 GLY 10 -21.470 -1.319 6.066 734 H ASN 11 HN ASN 11 -20.725 -1.835 8.068 735 HA ASN 11 HA ASN 11 -19.786 0.412 9.673 736 HB2 ASN 11 HB2 ASN 11 -20.331 -2.461 10.352 737 HB3 ASN 11 HB1 ASN 11 -19.360 -1.437 11.400 738 HD21 ASN 11 HD21 ASN 11 -20.910 -1.723 13.010 739 HD22 ASN 11 HD22 ASN 11 -22.401 -0.854 12.999 740 H SER 12 HN SER 12 -18.264 -0.750 7.145 741 HA SER 12 HA SER 12 -15.852 -1.289 8.600 742 HB2 SER 12 HB2 SER 12 -16.741 -2.545 5.974 743 HB3 SER 12 HB1 SER 12 -15.170 -2.754 6.756 744 HG SER 12 HG SER 12 -17.622 -3.364 7.999 745 HA PRO 13 HA PRO 13 -14.537 2.329 6.300 746 HB2 PRO 13 HB2 PRO 13 -11.824 1.817 6.784 747 HB3 PRO 13 HB1 PRO 13 -12.871 2.827 7.774 748 HG2 PRO 13 HG2 PRO 13 -11.914 0.081 8.256 749 HG3 PRO 13 HG1 PRO 13 -12.468 1.310 9.402 750 HD2 PRO 13 HD2 PRO 13 -13.909 -0.919 8.632 751 HD3 PRO 13 HD1 PRO 13 -14.622 0.537 9.338 752 H ALA 14 HN ALA 14 -14.134 2.470 4.167 753 HA ALA 14 HA ALA 14 -12.775 0.232 2.897 754 HB1 ALA 14 HB1 ALA 14 -14.367 0.267 1.115 755 HB2 ALA 14 HB2 ALA 14 -15.247 1.598 1.872 756 HB3 ALA 14 HB3 ALA 14 -15.196 0.017 2.647 757 H VAL 15 HN VAL 15 -11.426 0.728 1.308 758 HA VAL 15 HA VAL 15 -10.935 3.567 0.756 759 HB VAL 15 HB VAL 15 -9.075 1.184 0.393 760 HG11 VAL 15 HG11 VAL 15 -8.443 4.125 0.047 761 HG12 VAL 15 HG12 VAL 15 -8.739 3.015 -1.277 762 HG13 VAL 15 HG13 VAL 15 -7.346 2.767 -0.226 763 HG21 VAL 15 HG21 VAL 15 -9.000 3.460 2.363 764 HG22 VAL 15 HG22 VAL 15 -7.774 2.201 2.201 765 HG23 VAL 15 HG23 VAL 15 -9.407 1.785 2.732 766 H ARG 16 HN ARG 16 -11.361 4.311 -1.198 767 HA ARG 16 HA ARG 16 -12.477 2.585 -3.191 768 HB2 ARG 16 HB2 ARG 16 -11.927 5.511 -3.029 769 HB3 ARG 16 HB1 ARG 16 -12.624 4.769 -4.483 770 HG2 ARG 16 HG2 ARG 16 -14.487 4.060 -3.053 771 HG3 ARG 16 HG1 ARG 16 -13.755 4.932 -1.697 772 HD2 ARG 16 HD2 ARG 16 -13.778 6.967 -3.067 773 HD3 ARG 16 HD1 ARG 16 -14.588 6.070 -4.337 774 HE ARG 16 HE ARG 16 -16.316 5.683 -2.430 775 HH11 ARG 16 HH11 ARG 16 -14.523 8.694 -3.039 776 HH12 ARG 16 HH12 ARG 16 -15.796 9.703 -2.588 777 HH21 ARG 16 HH21 ARG 16 -18.049 7.094 -1.779 778 HH22 ARG 16 HH22 ARG 16 -17.873 8.772 -1.891 779 H ILE 17 HN ILE 17 -11.381 1.631 -4.758 780 HA ILE 17 HA ILE 17 -8.675 2.547 -5.391 781 HB ILE 17 HB ILE 17 -10.100 -0.021 -6.177 782 HG12 ILE 17 HG12 ILE 17 -9.656 0.040 -3.791 783 HG13 ILE 17 HG11 ILE 17 -8.647 -1.173 -4.565 784 HG21 ILE 17 HG21 ILE 17 -7.193 0.741 -6.514 785 HG22 ILE 17 HG22 ILE 17 -8.385 0.602 -7.803 786 HG23 ILE 17 HG23 ILE 17 -7.889 -0.834 -6.903 787 HD11 ILE 17 HD11 ILE 17 -7.462 0.005 -2.841 788 HD12 ILE 17 HD12 ILE 17 -7.802 1.559 -3.604 789 HD13 ILE 17 HD13 ILE 17 -6.746 0.389 -4.410 790 HA PRO 18 HA PRO 18 -10.490 4.276 -9.142 791 HB2 PRO 18 HB2 PRO 18 -7.774 4.300 -10.256 792 HB3 PRO 18 HB1 PRO 18 -8.837 5.649 -9.873 793 HG2 PRO 18 HG2 PRO 18 -6.592 5.057 -8.433 794 HG3 PRO 18 HG1 PRO 18 -7.991 5.929 -7.797 795 HD2 PRO 18 HD2 PRO 18 -7.189 3.087 -7.374 796 HD3 PRO 18 HD1 PRO 18 -8.042 4.220 -6.284 797 H ALA 19 HN ALA 19 -11.245 3.229 -10.861 798 HA ALA 19 HA ALA 19 -10.795 0.522 -11.349 799 HB1 ALA 19 HB1 ALA 19 -12.182 0.811 -13.319 800 HB2 ALA 19 HB2 ALA 19 -11.950 2.559 -13.261 801 HB3 ALA 19 HB3 ALA 19 -12.841 1.744 -11.978 802 H THR 20 HN THR 20 -9.284 3.354 -12.700 803 HA THR 20 HA THR 20 -7.926 2.193 -14.840 804 HB THR 20 HB THR 20 -7.128 4.540 -13.091 805 HG1 THR 20 HG1 THR 20 -8.926 5.265 -14.003 806 HG21 THR 20 HG21 THR 20 -6.318 3.898 -15.938 807 HG22 THR 20 HG22 THR 20 -5.279 3.698 -14.533 808 HG23 THR 20 HG23 THR 20 -5.829 5.313 -14.998 809 H LEU 21 HN LEU 21 -7.151 2.262 -11.376 810 HA LEU 21 HA LEU 21 -4.492 1.208 -11.701 811 HB2 LEU 21 HB2 LEU 21 -6.246 1.894 -9.412 812 HB3 LEU 21 HB1 LEU 21 -4.948 0.752 -9.137 813 HG LEU 21 HG LEU 21 -4.526 3.088 -8.565 814 HD11 LEU 21 HD11 LEU 21 -2.678 1.484 -8.941 815 HD12 LEU 21 HD12 LEU 21 -2.192 3.065 -9.557 816 HD13 LEU 21 HD13 LEU 21 -2.735 1.810 -10.672 817 HD21 LEU 21 HD21 LEU 21 -4.465 3.391 -11.527 818 HD22 LEU 21 HD22 LEU 21 -3.827 4.623 -10.418 819 HD23 LEU 21 HD23 LEU 21 -5.558 4.227 -10.424 820 H MET 22 HN MET 22 -7.581 0.064 -10.911 821 HA MET 22 HA MET 22 -7.090 -2.616 -10.310 822 HB2 MET 22 HB2 MET 22 -9.333 -1.454 -11.953 823 HB3 MET 22 HB1 MET 22 -9.336 -3.095 -11.343 824 HG2 MET 22 HG2 MET 22 -9.204 -0.637 -9.596 825 HG3 MET 22 HG1 MET 22 -10.686 -1.484 -10.040 826 HE1 MET 22 HE1 MET 22 -11.351 -3.795 -9.333 827 HE2 MET 22 HE2 MET 22 -10.336 -4.912 -8.409 828 HE3 MET 22 HE3 MET 22 -9.874 -4.435 -10.048 829 H GLN 23 HN GLN 23 -7.661 -1.209 -13.390 830 HA GLN 23 HA GLN 23 -7.012 -3.377 -15.049 831 HB2 GLN 23 HB2 GLN 23 -6.624 -0.443 -15.556 832 HB3 GLN 23 HB1 GLN 23 -6.622 -1.711 -16.774 833 HG2 GLN 23 HG2 GLN 23 -8.899 -2.222 -16.261 834 HG3 GLN 23 HG1 GLN 23 -8.936 -1.004 -14.996 835 HE21 GLN 23 HE21 GLN 23 -10.502 0.229 -15.916 836 HE22 GLN 23 HE22 GLN 23 -10.277 1.161 -17.354 837 H ALA 24 HN ALA 24 -5.030 -0.920 -13.525 838 HA ALA 24 HA ALA 24 -2.733 -1.338 -15.190 839 HB1 ALA 24 HB1 ALA 24 -2.826 -0.002 -12.492 840 HB2 ALA 24 HB2 ALA 24 -3.147 0.794 -14.032 841 HB3 ALA 24 HB3 ALA 24 -1.541 0.142 -13.689 842 H LEU 25 HN LEU 25 -3.724 -2.593 -12.140 843 HA LEU 25 HA LEU 25 -1.186 -4.026 -11.831 844 HB2 LEU 25 HB2 LEU 25 -3.501 -3.616 -9.994 845 HB3 LEU 25 HB1 LEU 25 -2.081 -4.571 -9.598 846 HG LEU 25 HG LEU 25 -1.935 -1.663 -10.359 847 HD11 LEU 25 HD11 LEU 25 -2.108 -2.965 -7.675 848 HD12 LEU 25 HD12 LEU 25 -3.306 -1.896 -8.412 849 HD13 LEU 25 HD13 LEU 25 -1.717 -1.264 -7.956 850 HD21 LEU 25 HD21 LEU 25 0.257 -1.836 -9.251 851 HD22 LEU 25 HD22 LEU 25 0.131 -2.920 -10.629 852 HD23 LEU 25 HD23 LEU 25 -0.029 -3.555 -8.991 853 H ASN 26 HN ASN 26 -4.119 -4.455 -13.142 854 HA ASN 26 HA ASN 26 -5.386 -6.091 -13.907 855 HB2 ASN 26 HB2 ASN 26 -3.331 -6.854 -15.029 856 HB3 ASN 26 HB1 ASN 26 -2.914 -7.829 -13.629 857 HD21 ASN 26 HD21 ASN 26 -2.905 -9.749 -14.819 858 HD22 ASN 26 HD22 ASN 26 -4.347 -10.496 -15.376 859 H LEU 27 HN LEU 27 -6.386 -5.692 -11.678 860 HA LEU 27 HA LEU 27 -6.851 -8.330 -10.622 861 HB2 LEU 27 HB2 LEU 27 -7.402 -7.332 -8.556 862 HB3 LEU 27 HB1 LEU 27 -5.695 -7.112 -8.907 863 HG LEU 27 HG LEU 27 -7.647 -4.894 -9.450 864 HD11 LEU 27 HD11 LEU 27 -7.408 -4.156 -7.174 865 HD12 LEU 27 HD12 LEU 27 -6.411 -5.593 -6.806 866 HD13 LEU 27 HD13 LEU 27 -8.116 -5.776 -7.245 867 HD21 LEU 27 HD21 LEU 27 -4.796 -5.003 -8.487 868 HD22 LEU 27 HD22 LEU 27 -5.712 -3.538 -8.854 869 HD23 LEU 27 HD23 LEU 27 -5.312 -4.679 -10.143 870 H ASN 28 HN ASN 28 -9.043 -8.349 -9.616 871 HA ASN 28 HA ASN 28 -10.932 -6.521 -10.870 872 HB2 ASN 28 HB2 ASN 28 -11.062 -9.552 -11.047 873 HB3 ASN 28 HB1 ASN 28 -12.436 -8.511 -11.358 874 HD21 ASN 28 HD21 ASN 28 -9.438 -9.692 -12.520 875 HD22 ASN 28 HD22 ASN 28 -9.589 -9.094 -14.137 876 H ILE 29 HN ILE 29 -13.230 -7.434 -9.911 877 HA ILE 29 HA ILE 29 -12.965 -7.034 -7.114 878 HB ILE 29 HB ILE 29 -15.387 -7.927 -8.742 879 HG12 ILE 29 HG12 ILE 29 -14.550 -5.702 -9.435 880 HG13 ILE 29 HG11 ILE 29 -16.111 -5.583 -8.638 881 HG21 ILE 29 HG21 ILE 29 -15.283 -6.779 -5.966 882 HG22 ILE 29 HG22 ILE 29 -15.605 -8.465 -6.351 883 HG23 ILE 29 HG23 ILE 29 -16.750 -7.215 -6.842 884 HD11 ILE 29 HD11 ILE 29 -13.446 -5.000 -7.357 885 HD12 ILE 29 HD12 ILE 29 -15.037 -4.769 -6.629 886 HD13 ILE 29 HD13 ILE 29 -14.552 -3.805 -8.018 887 H ASP 30 HN ASP 30 -13.283 -8.488 -5.480 888 HA ASP 30 HA ASP 30 -13.303 -10.385 -4.324 889 HB2 ASP 30 HB2 ASP 30 -14.318 -11.458 -6.851 890 HB3 ASP 30 HB1 ASP 30 -13.407 -12.630 -5.903 891 H ASP 31 HN ASP 31 -10.957 -9.243 -5.914 892 HA ASP 31 HA ASP 31 -9.164 -11.454 -5.878 893 HB2 ASP 31 HB2 ASP 31 -8.943 -9.326 -7.337 894 HB3 ASP 31 HB1 ASP 31 -8.359 -8.540 -5.870 895 H GLU 32 HN GLU 32 -8.011 -12.065 -4.226 896 HA GLU 32 HA GLU 32 -8.661 -10.952 -1.653 897 HB2 GLU 32 HB2 GLU 32 -8.861 -13.395 -2.104 898 HB3 GLU 32 HB1 GLU 32 -7.152 -13.440 -2.488 899 HG2 GLU 32 HG2 GLU 32 -6.507 -13.213 -0.328 900 HG3 GLU 32 HG1 GLU 32 -8.037 -12.468 0.163 901 H VAL 33 HN VAL 33 -7.384 -9.260 -1.105 902 HA VAL 33 HA VAL 33 -4.609 -9.366 -2.045 903 HB VAL 33 HB VAL 33 -4.473 -7.062 -2.127 904 HG11 VAL 33 HG11 VAL 33 -6.403 -6.137 -3.194 905 HG12 VAL 33 HG12 VAL 33 -7.378 -7.420 -2.500 906 HG13 VAL 33 HG13 VAL 33 -6.153 -7.822 -3.724 907 HG21 VAL 33 HG21 VAL 33 -5.057 -6.522 0.174 908 HG22 VAL 33 HG22 VAL 33 -6.764 -6.782 -0.178 909 HG23 VAL 33 HG23 VAL 33 -5.904 -5.439 -0.933 910 H LYS 34 HN LYS 34 -2.982 -8.528 -0.602 911 HA LYS 34 HA LYS 34 -3.499 -9.438 2.159 912 HB2 LYS 34 HB2 LYS 34 -0.916 -8.839 0.766 913 HB3 LYS 34 HB1 LYS 34 -1.025 -9.296 2.450 914 HG2 LYS 34 HG2 LYS 34 -1.894 -11.509 1.789 915 HG3 LYS 34 HG1 LYS 34 -1.778 -11.028 0.094 916 HD2 LYS 34 HD2 LYS 34 0.550 -11.234 2.029 917 HD3 LYS 34 HD1 LYS 34 0.171 -12.386 0.745 918 HE2 LYS 34 HE2 LYS 34 0.491 -10.651 -0.927 919 HE3 LYS 34 HE1 LYS 34 0.823 -9.485 0.391 920 HZ1 LYS 34 HZ1 LYS 34 2.508 -11.797 -0.394 921 HZ2 LYS 34 HZ2 LYS 34 2.791 -10.772 0.915 922 HZ3 LYS 34 HZ3 LYS 34 2.822 -10.139 -0.633 923 H ILE 35 HN ILE 35 -3.752 -7.989 3.684 924 HA ILE 35 HA ILE 35 -2.695 -5.295 3.331 925 HB ILE 35 HB ILE 35 -4.457 -6.458 5.537 926 HG12 ILE 35 HG12 ILE 35 -6.073 -4.643 4.822 927 HG13 ILE 35 HG11 ILE 35 -5.023 -4.346 3.445 928 HG21 ILE 35 HG21 ILE 35 -4.552 -4.207 6.532 929 HG22 ILE 35 HG22 ILE 35 -3.323 -3.684 5.374 930 HG23 ILE 35 HG23 ILE 35 -2.936 -4.915 6.570 931 HD11 ILE 35 HD11 ILE 35 -6.950 -5.720 2.850 932 HD12 ILE 35 HD12 ILE 35 -6.454 -6.901 4.063 933 HD13 ILE 35 HD13 ILE 35 -5.438 -6.608 2.657 934 H ASP 36 HN ASP 36 -0.599 -5.259 3.705 935 HA ASP 36 HA ASP 36 0.351 -6.624 6.110 936 HB2 ASP 36 HB2 ASP 36 1.041 -7.725 3.987 937 HB3 ASP 36 HB1 ASP 36 1.841 -6.307 3.459 938 H LEU 37 HN LEU 37 1.435 -5.250 7.576 939 HA LEU 37 HA LEU 37 1.485 -2.540 6.778 940 HB2 LEU 37 HB2 LEU 37 0.337 -3.671 8.835 941 HB3 LEU 37 HB1 LEU 37 1.965 -3.699 9.471 942 HG LEU 37 HG LEU 37 0.740 -1.832 10.356 943 HD11 LEU 37 HD11 LEU 37 2.813 -1.036 8.429 944 HD12 LEU 37 HD12 LEU 37 3.060 -1.617 10.070 945 HD13 LEU 37 HD13 LEU 37 2.272 -0.030 9.795 946 HD21 LEU 37 HD21 LEU 37 -0.779 -1.631 8.437 947 HD22 LEU 37 HD22 LEU 37 0.494 -0.768 7.557 948 HD23 LEU 37 HD23 LEU 37 -0.172 -0.101 9.046 949 H VAL 38 HN VAL 38 3.255 -1.622 6.496 950 HA VAL 38 HA VAL 38 5.858 -2.534 7.526 951 HB VAL 38 HB VAL 38 5.455 -1.990 4.572 952 HG11 VAL 38 HG11 VAL 38 7.896 -2.961 6.047 953 HG12 VAL 38 HG12 VAL 38 7.656 -1.358 5.360 954 HG13 VAL 38 HG13 VAL 38 7.778 -2.761 4.296 955 HG21 VAL 38 HG21 VAL 38 5.973 -4.667 5.885 956 HG22 VAL 38 HG22 VAL 38 5.972 -4.376 4.144 957 HG23 VAL 38 HG23 VAL 38 4.487 -4.172 5.072 958 H ASP 39 HN ASP 39 7.099 -0.758 8.041 959 HA ASP 39 HA ASP 39 7.748 1.382 8.383 960 HB2 ASP 39 HB2 ASP 39 7.034 1.482 5.469 961 HB3 ASP 39 HB1 ASP 39 7.574 2.934 6.301 962 H GLY 40 HN GLY 40 4.932 0.702 8.871 963 HA2 GLY 40 HA2 GLY 40 3.216 1.853 9.900 964 HA3 GLY 40 HA1 GLY 40 4.116 3.334 9.635 965 H LYS 41 HN LYS 41 3.498 1.353 6.849 966 HA LYS 41 HA LYS 41 1.163 2.965 6.237 967 HB2 LYS 41 HB2 LYS 41 1.925 3.184 3.903 968 HB3 LYS 41 HB1 LYS 41 3.067 3.951 5.010 969 HG2 LYS 41 HG2 LYS 41 4.327 1.678 4.753 970 HG3 LYS 41 HG1 LYS 41 3.302 1.499 3.351 971 HD2 LYS 41 HD2 LYS 41 4.087 3.580 2.397 972 HD3 LYS 41 HD1 LYS 41 5.066 3.896 3.823 973 HE2 LYS 41 HE2 LYS 41 6.374 1.853 3.344 974 HE3 LYS 41 HE1 LYS 41 5.422 1.623 1.879 975 HZ1 LYS 41 HZ1 LYS 41 7.520 2.702 1.389 976 HZ2 LYS 41 HZ2 LYS 41 7.191 3.957 2.442 977 HZ3 LYS 41 HZ3 LYS 41 6.264 3.764 1.063 978 H LEU 42 HN LEU 42 -0.142 1.963 4.561 979 HA LEU 42 HA LEU 42 -0.303 -0.860 5.123 980 HB2 LEU 42 HB2 LEU 42 -2.126 1.122 3.817 981 HB3 LEU 42 HB1 LEU 42 -2.469 -0.607 3.799 982 HG LEU 42 HG LEU 42 -1.965 0.905 6.287 983 HD11 LEU 42 HD11 LEU 42 -3.849 2.027 5.102 984 HD12 LEU 42 HD12 LEU 42 -4.468 1.144 6.496 985 HD13 LEU 42 HD13 LEU 42 -4.642 0.468 4.877 986 HD21 LEU 42 HD21 LEU 42 -1.912 -1.463 6.541 987 HD22 LEU 42 HD22 LEU 42 -3.423 -1.639 5.659 988 HD23 LEU 42 HD23 LEU 42 -3.422 -0.889 7.248 989 H ILE 43 HN ILE 43 0.574 -2.182 3.916 990 HA ILE 43 HA ILE 43 1.299 -1.423 1.206 991 HB ILE 43 HB ILE 43 2.125 -3.662 2.979 992 HG12 ILE 43 HG12 ILE 43 3.107 -1.696 3.752 993 HG13 ILE 43 HG11 ILE 43 4.376 -2.601 2.917 994 HG21 ILE 43 HG21 ILE 43 3.059 -3.102 0.172 995 HG22 ILE 43 HG22 ILE 43 2.213 -4.539 0.775 996 HG23 ILE 43 HG23 ILE 43 3.869 -4.221 1.277 997 HD11 ILE 43 HD11 ILE 43 4.077 -1.093 0.976 998 HD12 ILE 43 HD12 ILE 43 4.572 -0.261 2.451 999 HD13 ILE 43 HD13 ILE 43 2.902 -0.167 1.924 1000 H ILE 44 HN ILE 44 0.154 -2.112 -0.314 1001 HA ILE 44 HA ILE 44 -1.713 -4.312 0.202 1002 HB ILE 44 HB ILE 44 -2.217 -1.785 -1.373 1003 HG12 ILE 44 HG12 ILE 44 -2.393 -1.396 1.030 1004 HG13 ILE 44 HG11 ILE 44 -3.976 -1.292 0.281 1005 HG21 ILE 44 HG21 ILE 44 -3.300 -3.658 -2.481 1006 HG22 ILE 44 HG22 ILE 44 -4.515 -2.624 -1.727 1007 HG23 ILE 44 HG23 ILE 44 -4.058 -4.150 -0.968 1008 HD11 ILE 44 HD11 ILE 44 -2.899 -3.621 1.864 1009 HD12 ILE 44 HD12 ILE 44 -4.491 -3.547 1.106 1010 HD13 ILE 44 HD13 ILE 44 -4.087 -2.437 2.412 1011 H GLU 45 HN GLU 45 -1.277 -5.918 -1.011 1012 HA GLU 45 HA GLU 45 -0.180 -5.455 -3.698 1013 HB2 GLU 45 HB2 GLU 45 0.478 -7.708 -1.812 1014 HB3 GLU 45 HB1 GLU 45 1.052 -7.612 -3.466 1015 HG2 GLU 45 HG2 GLU 45 2.450 -5.702 -2.849 1016 HG3 GLU 45 HG1 GLU 45 1.912 -5.761 -1.185 1017 HA PRO 46 HA PRO 46 -3.618 -8.149 -4.385 1018 HB2 PRO 46 HB2 PRO 46 -3.065 -8.666 -7.068 1019 HB3 PRO 46 HB1 PRO 46 -3.975 -7.284 -6.456 1020 HG2 PRO 46 HG2 PRO 46 -1.524 -7.310 -7.713 1021 HG3 PRO 46 HG1 PRO 46 -2.290 -5.902 -6.912 1022 HD2 PRO 46 HD2 PRO 46 -0.188 -7.796 -5.923 1023 HD3 PRO 46 HD1 PRO 46 -0.316 -6.103 -5.486 1024 H VAL 47 HN VAL 47 -4.033 -10.183 -4.917 1025 HA VAL 47 HA VAL 47 -1.712 -12.049 -4.875 1026 HB VAL 47 HB VAL 47 -4.120 -12.490 -3.136 1027 HG11 VAL 47 HG11 VAL 47 -1.449 -13.796 -3.217 1028 HG12 VAL 47 HG12 VAL 47 -3.047 -14.503 -3.628 1029 HG13 VAL 47 HG13 VAL 47 -2.672 -13.998 -1.965 1030 HG21 VAL 47 HG21 VAL 47 -2.960 -11.827 -1.288 1031 HG22 VAL 47 HG22 VAL 47 -2.892 -10.557 -2.566 1032 HG23 VAL 47 HG23 VAL 47 -1.455 -11.546 -2.211 1033 H ARG 48 HN ARG 48 -1.884 -13.532 -6.396 1034 HA ARG 48 HA ARG 48 -4.534 -14.198 -7.284 1035 HB2 ARG 48 HB2 ARG 48 -3.487 -15.410 -9.080 1036 HB3 ARG 48 HB1 ARG 48 -2.791 -13.800 -9.011 1037 HG2 ARG 48 HG2 ARG 48 -0.782 -14.678 -7.990 1038 HG3 ARG 48 HG1 ARG 48 -1.506 -16.287 -7.896 1039 HD2 ARG 48 HD2 ARG 48 -0.067 -16.260 -9.795 1040 HD3 ARG 48 HD1 ARG 48 -1.753 -16.243 -10.335 1041 HE ARG 48 HE ARG 48 -0.300 -13.726 -10.116 1042 HH11 ARG 48 HH11 ARG 48 -1.828 -16.159 -12.253 1043 HH12 ARG 48 HH12 ARG 48 -1.811 -15.146 -13.609 1044 HH21 ARG 48 HH21 ARG 48 -0.306 -12.351 -12.017 1045 HH22 ARG 48 HH22 ARG 48 -0.937 -12.919 -13.480 1046 H LYS 49 HN LYS 49 -5.479 -16.033 -6.623 1047 HA LYS 49 HA LYS 49 -3.831 -17.914 -5.115 1048 HB2 LYS 49 HB2 LYS 49 -6.850 -17.526 -5.170 1049 HB3 LYS 49 HB1 LYS 49 -5.986 -18.683 -4.185 1050 HG2 LYS 49 HG2 LYS 49 -5.733 -15.675 -3.892 1051 HG3 LYS 49 HG1 LYS 49 -6.832 -16.664 -2.943 1052 HD2 LYS 49 HD2 LYS 49 -4.895 -17.867 -1.970 1053 HD3 LYS 49 HD1 LYS 49 -3.784 -16.878 -2.917 1054 HE2 LYS 49 HE2 LYS 49 -4.603 -14.868 -1.795 1055 HE3 LYS 49 HE1 LYS 49 -5.716 -15.848 -0.855 1056 HZ1 LYS 49 HZ1 LYS 49 -2.752 -16.113 -0.773 1057 HZ2 LYS 49 HZ2 LYS 49 -3.853 -16.897 0.254 1058 HZ3 LYS 49 HZ3 LYS 49 -3.639 -15.260 0.359 1059 H GLU 50 HN GLU 50 -3.028 -19.123 -6.586 1060 HA GLU 50 HA GLU 50 -4.763 -20.216 -8.658 1061 HB2 GLU 50 HB2 GLU 50 -3.705 -18.100 -9.430 1062 HB3 GLU 50 HB1 GLU 50 -2.136 -18.788 -9.087 1063 HG2 GLU 50 HG2 GLU 50 -2.672 -20.564 -10.782 1064 HG3 GLU 50 HG1 GLU 50 -4.096 -19.606 -11.210 Start of MODEL 5 1 H1 ASN -16 HT1 ASN -16 31.742 -20.796 25.163 2 H2 ASN -16 HT2 ASN -16 33.128 -20.068 24.565 3 H3 ASN -16 HT3 ASN -16 32.400 -21.328 23.701 4 HA ASN -16 HA ASN -16 31.898 -19.174 22.714 5 HB2 ASN -16 HB2 ASN -16 29.472 -20.310 24.144 6 HB3 ASN -16 HB1 ASN -16 29.471 -19.346 22.679 7 HD21 ASN -16 HD21 ASN -16 29.786 -20.354 20.726 8 HD22 ASN -16 HD22 ASN -16 29.990 -22.058 20.588 9 H HIS -15 HN HIS -15 30.888 -17.099 23.023 10 HA HIS -15 HA HIS -15 31.270 -16.066 25.662 11 HB2 HIS -15 HB2 HIS -15 30.268 -14.803 23.117 12 HB3 HIS -15 HB1 HIS -15 30.295 -13.943 24.651 13 HD1 HIS -15 HD1 HIS -15 32.585 -13.155 25.517 14 HD2 HIS -15 HD2 HIS -15 32.761 -15.272 21.954 15 HE1 HIS -15 HE1 HIS -15 34.900 -12.786 24.604 16 H LYS -14 HN LYS -14 28.459 -16.370 23.555 17 HA LYS -14 HA LYS -14 26.778 -16.387 25.963 18 HB2 LYS -14 HB2 LYS -14 26.022 -15.847 23.080 19 HB3 LYS -14 HB1 LYS -14 24.918 -15.845 24.437 20 HG2 LYS -14 HG2 LYS -14 26.063 -13.886 25.364 21 HG3 LYS -14 HG1 LYS -14 27.177 -13.901 23.992 22 HD2 LYS -14 HD2 LYS -14 25.311 -13.586 22.452 23 HD3 LYS -14 HD1 LYS -14 24.178 -13.606 23.799 24 HE2 LYS -14 HE2 LYS -14 24.596 -11.338 23.080 25 HE3 LYS -14 HE1 LYS -14 25.240 -11.586 24.700 26 HZ1 LYS -14 HZ1 LYS -14 26.833 -11.573 22.184 27 HZ2 LYS -14 HZ2 LYS -14 27.446 -11.785 23.746 28 HZ3 LYS -14 HZ3 LYS -14 26.747 -10.334 23.314 29 H VAL -13 HN VAL -13 25.030 -18.024 25.844 30 HA VAL -13 HA VAL -13 25.993 -20.375 24.480 31 HB VAL -13 HB VAL -13 23.528 -20.099 26.251 32 HG11 VAL -13 HG11 VAL -13 23.637 -22.546 26.426 33 HG12 VAL -13 HG12 VAL -13 25.002 -22.563 25.314 34 HG13 VAL -13 HG13 VAL -13 23.416 -22.030 24.754 35 HG21 VAL -13 HG21 VAL -13 26.298 -21.072 26.940 36 HG22 VAL -13 HG22 VAL -13 24.901 -21.165 28.006 37 HG23 VAL -13 HG23 VAL -13 25.540 -19.591 27.523 38 H HIS -12 HN HIS -12 25.710 -19.712 22.418 39 HA HIS -12 HA HIS -12 23.093 -18.906 21.607 40 HB2 HIS -12 HB2 HIS -12 24.059 -18.593 19.278 41 HB3 HIS -12 HB1 HIS -12 24.663 -17.543 20.543 42 HD1 HIS -12 HD1 HIS -12 25.849 -19.393 17.732 43 HD2 HIS -12 HD2 HIS -12 27.293 -18.654 21.558 44 HE1 HIS -12 HE1 HIS -12 28.338 -19.728 17.619 45 H HIS -11 HN HIS -11 22.420 -20.835 22.401 46 HA HIS -11 HA HIS -11 22.179 -22.966 20.400 47 HB2 HIS -11 HB2 HIS -11 22.597 -23.668 22.713 48 HB3 HIS -11 HB1 HIS -11 21.244 -22.710 23.280 49 HD1 HIS -11 HD1 HIS -11 19.115 -24.021 23.635 50 HD2 HIS -11 HD2 HIS -11 21.689 -25.857 20.926 51 HE1 HIS -11 HE1 HIS -11 18.054 -26.219 23.031 52 H HIS -10 HN HIS -10 20.706 -20.222 21.746 53 HA HIS -10 HA HIS -10 18.087 -20.872 20.631 54 HB2 HIS -10 HB2 HIS -10 18.878 -18.823 22.724 55 HB3 HIS -10 HB1 HIS -10 17.249 -19.048 22.100 56 HD1 HIS -10 HD1 HIS -10 15.826 -20.717 23.341 57 HD2 HIS -10 HD2 HIS -10 19.874 -21.149 24.152 58 HE1 HIS -10 HE1 HIS -10 16.001 -22.483 25.120 59 H HIS -9 HN HIS -9 17.099 -19.383 19.299 60 HA HIS -9 HA HIS -9 18.781 -17.220 18.322 61 HB2 HIS -9 HB2 HIS -9 17.889 -17.685 16.008 62 HB3 HIS -9 HB1 HIS -9 18.940 -18.940 16.641 63 HD1 HIS -9 HD1 HIS -9 17.997 -21.282 16.658 64 HD2 HIS -9 HD2 HIS -9 15.076 -18.403 16.041 65 HE1 HIS -9 HE1 HIS -9 15.896 -22.537 16.083 66 H HIS -8 HN HIS -8 17.589 -15.459 17.381 67 HA HIS -8 HA HIS -8 14.951 -15.202 18.665 68 HB2 HIS -8 HB2 HIS -8 16.879 -13.027 17.801 69 HB3 HIS -8 HB1 HIS -8 15.318 -12.759 18.561 70 HD1 HIS -8 HD1 HIS -8 15.242 -12.911 21.144 71 HD2 HIS -8 HD2 HIS -8 18.887 -14.068 19.511 72 HE1 HIS -8 HE1 HIS -8 16.839 -13.118 23.075 73 H HIS -7 HN HIS -7 13.191 -14.701 17.467 74 HA HIS -7 HA HIS -7 13.575 -14.483 14.582 75 HB2 HIS -7 HB2 HIS -7 11.169 -15.197 16.256 76 HB3 HIS -7 HB1 HIS -7 10.999 -14.739 14.567 77 HD1 HIS -7 HD1 HIS -7 11.510 -16.531 12.828 78 HD2 HIS -7 HD2 HIS -7 12.548 -17.642 16.703 79 HE1 HIS -7 HE1 HIS -7 12.038 -18.984 12.736 80 H MET -6 HN MET -6 12.554 -12.846 13.418 81 HA MET -6 HA MET -6 11.501 -10.582 14.868 82 HB2 MET -6 HB2 MET -6 13.199 -8.999 13.938 83 HB3 MET -6 HB1 MET -6 13.846 -10.115 15.128 84 HG2 MET -6 HG2 MET -6 14.723 -11.507 13.278 85 HG3 MET -6 HG1 MET -6 14.154 -10.295 12.138 86 HE1 MET -6 HE1 MET -6 16.542 -10.201 11.100 87 HE2 MET -6 HE2 MET -6 17.138 -11.389 12.261 88 HE3 MET -6 HE3 MET -6 18.021 -9.886 12.003 89 H SER -5 HN SER -5 12.609 -11.811 11.688 90 HA SER -5 HA SER -5 11.204 -9.870 10.189 91 HB2 SER -5 HB2 SER -5 12.209 -12.576 9.324 92 HB3 SER -5 HB1 SER -5 11.926 -11.167 8.300 93 HG SER -5 HG SER -5 13.717 -10.302 8.931 94 H ASP -4 HN ASP -4 10.528 -13.064 11.379 95 HA ASP -4 HA ASP -4 8.370 -13.820 9.777 96 HB2 ASP -4 HB2 ASP -4 8.856 -14.530 12.678 97 HB3 ASP -4 HB1 ASP -4 7.816 -15.404 11.563 98 H ASP -3 HN ASP -3 8.573 -11.795 12.473 99 HA ASP -3 HA ASP -3 5.762 -11.767 13.082 100 HB2 ASP -3 HB2 ASP -3 7.964 -9.962 14.072 101 HB3 ASP -3 HB1 ASP -3 6.314 -9.983 14.688 102 H ASP -2 HN ASP -2 7.832 -9.886 11.018 103 HA ASP -2 HA ASP -2 5.896 -7.739 11.013 104 HB2 ASP -2 HB2 ASP -2 8.314 -7.166 10.941 105 HB3 ASP -2 HB1 ASP -2 8.402 -7.876 9.328 106 H ASP -1 HN ASP -1 6.764 -10.362 8.898 107 HA ASP -1 HA ASP -1 4.908 -9.315 6.941 108 HB2 ASP -1 HB2 ASP -1 6.562 -11.819 7.002 109 HB3 ASP -1 HB1 ASP -1 5.217 -11.687 5.876 110 H LYS 0 HN LYS 0 2.927 -9.267 7.377 111 HA LYS 0 HA LYS 0 1.805 -11.250 9.214 112 HB2 LYS 0 HB2 LYS 0 0.491 -8.632 8.366 113 HB3 LYS 0 HB1 LYS 0 0.186 -9.622 9.778 114 HG2 LYS 0 HG2 LYS 0 2.190 -9.004 10.803 115 HG3 LYS 0 HG1 LYS 0 2.823 -8.310 9.315 116 HD2 LYS 0 HD2 LYS 0 0.909 -6.649 9.455 117 HD3 LYS 0 HD1 LYS 0 0.656 -7.240 11.104 118 HE2 LYS 0 HE2 LYS 0 2.089 -5.260 11.127 119 HE3 LYS 0 HE1 LYS 0 2.979 -6.696 11.643 120 HZ1 LYS 0 HZ1 LYS 0 3.943 -6.861 9.427 121 HZ2 LYS 0 HZ2 LYS 0 4.332 -5.380 10.037 122 HZ3 LYS 0 HZ3 LYS 0 3.116 -5.545 8.884 123 H GLY 1 HN GLY 1 1.293 -9.652 6.136 124 HA2 GLY 1 HA2 GLY 1 -0.003 -10.147 4.300 125 HA3 GLY 1 HA1 GLY 1 0.355 -11.815 4.705 126 H ILE 2 HN ILE 2 -1.886 -9.170 5.635 127 HA ILE 2 HA ILE 2 -3.876 -11.094 6.467 128 HB ILE 2 HB ILE 2 -4.104 -8.078 6.083 129 HG12 ILE 2 HG12 ILE 2 -3.748 -9.664 8.636 130 HG13 ILE 2 HG11 ILE 2 -2.465 -8.767 7.830 131 HG21 ILE 2 HG21 ILE 2 -5.981 -10.052 7.382 132 HG22 ILE 2 HG22 ILE 2 -6.300 -9.049 5.964 133 HG23 ILE 2 HG23 ILE 2 -6.112 -8.307 7.549 134 HD11 ILE 2 HD11 ILE 2 -4.976 -7.602 9.019 135 HD12 ILE 2 HD12 ILE 2 -3.699 -6.689 8.214 136 HD13 ILE 2 HD13 ILE 2 -3.361 -7.538 9.724 137 H HIS 3 HN HIS 3 -5.202 -12.082 5.039 138 HA HIS 3 HA HIS 3 -5.214 -11.070 2.325 139 HB2 HIS 3 HB2 HIS 3 -6.248 -13.688 3.448 140 HB3 HIS 3 HB1 HIS 3 -6.326 -13.228 1.755 141 HD1 HIS 3 HD1 HIS 3 -4.089 -14.828 4.207 142 HD2 HIS 3 HD2 HIS 3 -3.731 -12.914 0.532 143 HE1 HIS 3 HE1 HIS 3 -1.815 -15.411 3.337 144 H SER 4 HN SER 4 -6.853 -10.241 1.359 145 HA SER 4 HA SER 4 -9.546 -10.449 2.397 146 HB2 SER 4 HB2 SER 4 -7.937 -8.007 2.069 147 HB3 SER 4 HB1 SER 4 -9.674 -7.863 2.020 148 HG SER 4 HG SER 4 -8.604 -9.328 4.119 149 H SER 5 HN SER 5 -10.668 -8.585 0.629 150 HA SER 5 HA SER 5 -9.588 -9.174 -1.941 151 HB2 SER 5 HB2 SER 5 -11.937 -9.945 -2.683 152 HB3 SER 5 HB1 SER 5 -10.933 -11.093 -1.796 153 HG SER 5 HG SER 5 -12.065 -10.245 0.111 154 H VAL 6 HN VAL 6 -10.635 -7.991 -3.581 155 HA VAL 6 HA VAL 6 -11.361 -5.284 -2.706 156 HB VAL 6 HB VAL 6 -10.744 -6.319 -5.492 157 HG11 VAL 6 HG11 VAL 6 -12.097 -4.243 -5.400 158 HG12 VAL 6 HG12 VAL 6 -10.525 -4.019 -6.138 159 HG13 VAL 6 HG13 VAL 6 -10.798 -3.465 -4.486 160 HG21 VAL 6 HG21 VAL 6 -8.547 -5.333 -5.212 161 HG22 VAL 6 HG22 VAL 6 -8.883 -6.568 -3.984 162 HG23 VAL 6 HG23 VAL 6 -8.995 -4.851 -3.565 163 H LYS 7 HN LYS 7 -13.439 -4.808 -2.694 164 HA LYS 7 HA LYS 7 -15.104 -6.505 -4.339 165 HB2 LYS 7 HB2 LYS 7 -15.529 -5.635 -1.528 166 HB3 LYS 7 HB1 LYS 7 -16.836 -6.298 -2.561 167 HG2 LYS 7 HG2 LYS 7 -15.778 -8.358 -2.740 168 HG3 LYS 7 HG1 LYS 7 -14.240 -7.709 -2.157 169 HD2 LYS 7 HD2 LYS 7 -15.067 -7.329 -0.111 170 HD3 LYS 7 HD1 LYS 7 -16.740 -7.757 -0.579 171 HE2 LYS 7 HE2 LYS 7 -14.331 -9.606 -0.443 172 HE3 LYS 7 HE1 LYS 7 -15.636 -9.580 0.736 173 HZ1 LYS 7 HZ1 LYS 7 -17.156 -10.237 -1.063 174 HZ2 LYS 7 HZ2 LYS 7 -15.969 -11.376 -0.755 175 HZ3 LYS 7 HZ3 LYS 7 -15.858 -10.412 -2.130 176 H ARG 8 HN ARG 8 -17.458 -5.357 -4.458 177 HA ARG 8 HA ARG 8 -16.742 -2.820 -5.769 178 HB2 ARG 8 HB2 ARG 8 -17.818 -4.792 -6.932 179 HB3 ARG 8 HB1 ARG 8 -19.300 -4.264 -6.114 180 HG2 ARG 8 HG2 ARG 8 -18.885 -2.002 -7.116 181 HG3 ARG 8 HG1 ARG 8 -17.652 -2.776 -8.120 182 HD2 ARG 8 HD2 ARG 8 -20.496 -3.451 -7.873 183 HD3 ARG 8 HD1 ARG 8 -19.788 -2.667 -9.296 184 HE ARG 8 HE ARG 8 -19.107 -5.408 -8.407 185 HH11 ARG 8 HH11 ARG 8 -19.944 -3.193 -11.042 186 HH12 ARG 8 HH12 ARG 8 -19.987 -4.397 -12.235 187 HH21 ARG 8 HH21 ARG 8 -19.123 -7.061 -10.034 188 HH22 ARG 8 HH22 ARG 8 -19.467 -6.675 -11.649 189 H TRP 9 HN TRP 9 -17.244 -1.052 -4.720 190 HA TRP 9 HA TRP 9 -19.658 -0.972 -3.042 191 HB2 TRP 9 HB2 TRP 9 -17.418 -0.555 -1.955 192 HB3 TRP 9 HB1 TRP 9 -17.227 0.810 -3.007 193 HD1 TRP 9 HD1 TRP 9 -20.725 0.552 -1.647 194 HE1 TRP 9 HE1 TRP 9 -21.037 2.253 0.220 195 HE3 TRP 9 HE3 TRP 9 -15.814 2.128 -0.943 196 HZ2 TRP 9 HZ2 TRP 9 -19.576 4.017 1.682 197 HZ3 TRP 9 HZ3 TRP 9 -15.448 3.814 0.668 198 HH2 TRP 9 HH2 TRP 9 -17.325 4.745 2.011 199 H GLY 10 HN GLY 10 -21.134 -0.419 -4.631 200 HA2 GLY 10 HA2 GLY 10 -22.266 0.989 -6.030 201 HA3 GLY 10 HA1 GLY 10 -21.033 2.224 -5.724 202 H ASN 11 HN ASN 11 -20.268 2.781 -7.643 203 HA ASN 11 HA ASN 11 -19.479 0.666 -9.525 204 HB2 ASN 11 HB2 ASN 11 -20.834 2.616 -10.367 205 HB3 ASN 11 HB1 ASN 11 -19.552 3.700 -9.865 206 HD21 ASN 11 HD21 ASN 11 -20.501 1.283 -12.190 207 HD22 ASN 11 HD22 ASN 11 -19.297 1.622 -13.369 208 H SER 12 HN SER 12 -18.029 1.064 -6.945 209 HA SER 12 HA SER 12 -15.515 1.986 -8.017 210 HB2 SER 12 HB2 SER 12 -16.471 3.803 -6.791 211 HB3 SER 12 HB1 SER 12 -16.856 2.732 -5.448 212 HG SER 12 HG SER 12 -14.240 3.347 -6.398 213 HA PRO 13 HA PRO 13 -14.383 -1.938 -6.079 214 HB2 PRO 13 HB2 PRO 13 -11.675 -1.535 -6.726 215 HB3 PRO 13 HB1 PRO 13 -12.821 -2.502 -7.649 216 HG2 PRO 13 HG2 PRO 13 -11.725 0.142 -8.235 217 HG3 PRO 13 HG1 PRO 13 -12.546 -0.994 -9.306 218 HD2 PRO 13 HD2 PRO 13 -13.605 1.380 -8.262 219 HD3 PRO 13 HD1 PRO 13 -14.511 0.090 -9.064 220 H ALA 14 HN ALA 14 -14.093 -1.994 -3.948 221 HA ALA 14 HA ALA 14 -12.262 -0.069 -2.730 222 HB1 ALA 14 HB1 ALA 14 -14.566 0.713 -2.421 223 HB2 ALA 14 HB2 ALA 14 -13.818 0.250 -0.893 224 HB3 ALA 14 HB3 ALA 14 -14.982 -0.826 -1.664 225 H VAL 15 HN VAL 15 -11.161 -0.827 -0.982 226 HA VAL 15 HA VAL 15 -11.494 -3.684 -0.437 227 HB VAL 15 HB VAL 15 -9.305 -3.089 -1.538 228 HG11 VAL 15 HG11 VAL 15 -8.693 -1.621 1.010 229 HG12 VAL 15 HG12 VAL 15 -8.941 -0.910 -0.581 230 HG13 VAL 15 HG13 VAL 15 -7.553 -1.957 -0.294 231 HG21 VAL 15 HG21 VAL 15 -9.067 -4.207 1.254 232 HG22 VAL 15 HG22 VAL 15 -7.859 -4.382 -0.019 233 HG23 VAL 15 HG23 VAL 15 -9.452 -5.115 -0.209 234 H ARG 16 HN ARG 16 -11.472 -4.352 1.678 235 HA ARG 16 HA ARG 16 -12.424 -2.422 3.560 236 HB2 ARG 16 HB2 ARG 16 -12.035 -5.372 3.572 237 HB3 ARG 16 HB1 ARG 16 -12.585 -4.501 5.016 238 HG2 ARG 16 HG2 ARG 16 -14.470 -3.709 3.643 239 HG3 ARG 16 HG1 ARG 16 -13.947 -4.735 2.335 240 HD2 ARG 16 HD2 ARG 16 -14.084 -6.685 3.775 241 HD3 ARG 16 HD1 ARG 16 -14.622 -5.661 5.104 242 HE ARG 16 HE ARG 16 -16.242 -5.554 2.712 243 HH11 ARG 16 HH11 ARG 16 -15.816 -6.997 5.917 244 HH12 ARG 16 HH12 ARG 16 -17.395 -7.622 6.002 245 HH21 ARG 16 HH21 ARG 16 -18.432 -6.365 2.862 246 HH22 ARG 16 HH22 ARG 16 -18.932 -7.219 4.238 247 H ILE 17 HN ILE 17 -11.231 -1.454 5.088 248 HA ILE 17 HA ILE 17 -8.627 -2.583 5.770 249 HB ILE 17 HB ILE 17 -9.675 0.269 5.955 250 HG12 ILE 17 HG12 ILE 17 -7.419 0.760 4.842 251 HG13 ILE 17 HG11 ILE 17 -7.341 -0.973 4.548 252 HG21 ILE 17 HG21 ILE 17 -7.157 -0.723 7.224 253 HG22 ILE 17 HG22 ILE 17 -8.602 -0.102 8.057 254 HG23 ILE 17 HG23 ILE 17 -7.643 0.960 7.002 255 HD11 ILE 17 HD11 ILE 17 -9.368 -0.848 3.299 256 HD12 ILE 17 HD12 ILE 17 -8.126 0.259 2.669 257 HD13 ILE 17 HD13 ILE 17 -9.464 0.883 3.665 258 HA PRO 18 HA PRO 18 -10.548 -3.763 9.621 259 HB2 PRO 18 HB2 PRO 18 -7.871 -3.785 10.820 260 HB3 PRO 18 HB1 PRO 18 -8.994 -5.116 10.576 261 HG2 PRO 18 HG2 PRO 18 -6.690 -4.802 9.132 262 HG3 PRO 18 HG1 PRO 18 -8.118 -5.677 8.563 263 HD2 PRO 18 HD2 PRO 18 -7.124 -2.985 7.784 264 HD3 PRO 18 HD1 PRO 18 -8.070 -4.169 6.866 265 H ALA 19 HN ALA 19 -11.300 -2.577 11.281 266 HA ALA 19 HA ALA 19 -10.678 0.153 11.545 267 HB1 ALA 19 HB1 ALA 19 -12.883 -0.778 12.135 268 HB2 ALA 19 HB2 ALA 19 -12.190 0.145 13.465 269 HB3 ALA 19 HB3 ALA 19 -12.155 -1.617 13.506 270 H THR 20 HN THR 20 -9.492 -2.707 13.112 271 HA THR 20 HA THR 20 -8.181 -1.713 15.306 272 HB THR 20 HB THR 20 -7.140 -3.851 13.459 273 HG1 THR 20 HG1 THR 20 -8.960 -4.511 15.447 274 HG21 THR 20 HG21 THR 20 -6.548 -4.923 15.601 275 HG22 THR 20 HG22 THR 20 -7.204 -3.533 16.474 276 HG23 THR 20 HG23 THR 20 -5.789 -3.339 15.437 277 H LEU 21 HN LEU 21 -7.192 -1.788 11.874 278 HA LEU 21 HA LEU 21 -4.564 -0.750 12.385 279 HB2 LEU 21 HB2 LEU 21 -6.124 -1.453 9.955 280 HB3 LEU 21 HB1 LEU 21 -4.747 -0.386 9.790 281 HG LEU 21 HG LEU 21 -4.372 -2.745 9.322 282 HD11 LEU 21 HD11 LEU 21 -2.193 -2.836 10.587 283 HD12 LEU 21 HD12 LEU 21 -2.786 -1.536 11.625 284 HD13 LEU 21 HD13 LEU 21 -2.502 -1.235 9.914 285 HD21 LEU 21 HD21 LEU 21 -4.011 -4.275 11.277 286 HD22 LEU 21 HD22 LEU 21 -5.696 -3.788 11.024 287 HD23 LEU 21 HD23 LEU 21 -4.736 -3.003 12.278 288 H MET 22 HN MET 22 -7.561 0.393 11.317 289 HA MET 22 HA MET 22 -7.005 3.058 10.720 290 HB2 MET 22 HB2 MET 22 -9.381 1.945 12.214 291 HB3 MET 22 HB1 MET 22 -9.314 3.582 11.601 292 HG2 MET 22 HG2 MET 22 -9.098 1.131 9.864 293 HG3 MET 22 HG1 MET 22 -10.612 1.961 10.225 294 HE1 MET 22 HE1 MET 22 -10.140 5.424 8.640 295 HE2 MET 22 HE2 MET 22 -9.737 4.955 10.293 296 HE3 MET 22 HE3 MET 22 -11.206 4.337 9.542 297 H GLN 23 HN GLN 23 -7.813 1.701 13.783 298 HA GLN 23 HA GLN 23 -7.214 3.974 15.361 299 HB2 GLN 23 HB2 GLN 23 -7.170 1.078 16.114 300 HB3 GLN 23 HB1 GLN 23 -7.179 2.431 17.233 301 HG2 GLN 23 HG2 GLN 23 -9.328 1.731 15.273 302 HG3 GLN 23 HG1 GLN 23 -9.317 1.408 17.005 303 HE21 GLN 23 HE21 GLN 23 -11.162 2.975 15.395 304 HE22 GLN 23 HE22 GLN 23 -11.183 4.568 16.057 305 H ALA 24 HN ALA 24 -5.297 1.342 14.135 306 HA ALA 24 HA ALA 24 -3.127 1.597 15.980 307 HB1 ALA 24 HB1 ALA 24 -2.996 0.421 13.207 308 HB2 ALA 24 HB2 ALA 24 -3.512 -0.449 14.651 309 HB3 ALA 24 HB3 ALA 24 -1.854 0.141 14.523 310 H LEU 25 HN LEU 25 -3.793 3.072 12.935 311 HA LEU 25 HA LEU 25 -1.276 4.550 13.092 312 HB2 LEU 25 HB2 LEU 25 -3.230 4.076 10.885 313 HB3 LEU 25 HB1 LEU 25 -1.848 5.160 10.739 314 HG LEU 25 HG LEU 25 -1.291 2.394 11.678 315 HD11 LEU 25 HD11 LEU 25 -2.854 2.147 9.786 316 HD12 LEU 25 HD12 LEU 25 -1.221 1.540 9.473 317 HD13 LEU 25 HD13 LEU 25 -1.720 3.100 8.815 318 HD21 LEU 25 HD21 LEU 25 0.085 4.301 9.805 319 HD22 LEU 25 HD22 LEU 25 0.741 2.777 10.397 320 HD23 LEU 25 HD23 LEU 25 0.454 4.111 11.519 321 H ASN 26 HN ASN 26 -4.332 4.754 13.984 322 HA ASN 26 HA ASN 26 -5.831 6.216 14.617 323 HB2 ASN 26 HB2 ASN 26 -3.994 6.874 16.146 324 HB3 ASN 26 HB1 ASN 26 -3.545 8.147 15.012 325 HD21 ASN 26 HD21 ASN 26 -3.961 9.793 16.494 326 HD22 ASN 26 HD22 ASN 26 -5.556 10.231 16.971 327 H LEU 27 HN LEU 27 -6.375 6.069 12.263 328 HA LEU 27 HA LEU 27 -6.785 8.794 11.388 329 HB2 LEU 27 HB2 LEU 27 -7.133 7.909 9.199 330 HB3 LEU 27 HB1 LEU 27 -5.474 7.661 9.714 331 HG LEU 27 HG LEU 27 -7.376 5.401 10.070 332 HD11 LEU 27 HD11 LEU 27 -7.937 6.382 7.927 333 HD12 LEU 27 HD12 LEU 27 -7.202 4.786 7.750 334 HD13 LEU 27 HD13 LEU 27 -6.258 6.256 7.402 335 HD21 LEU 27 HD21 LEU 27 -5.399 4.142 9.370 336 HD22 LEU 27 HD22 LEU 27 -5.022 5.243 10.700 337 HD23 LEU 27 HD23 LEU 27 -4.552 5.659 9.051 338 H ASN 28 HN ASN 28 -8.887 9.020 10.369 339 HA ASN 28 HA ASN 28 -10.836 7.192 11.591 340 HB2 ASN 28 HB2 ASN 28 -10.995 10.207 11.472 341 HB3 ASN 28 HB1 ASN 28 -12.329 9.178 11.946 342 HD21 ASN 28 HD21 ASN 28 -10.414 7.356 13.426 343 HD22 ASN 28 HD22 ASN 28 -10.027 8.211 14.858 344 H ILE 29 HN ILE 29 -13.096 7.830 10.650 345 HA ILE 29 HA ILE 29 -13.003 7.257 7.882 346 HB ILE 29 HB ILE 29 -15.262 7.970 9.753 347 HG12 ILE 29 HG12 ILE 29 -14.248 5.744 10.111 348 HG13 ILE 29 HG11 ILE 29 -15.909 5.611 9.534 349 HG21 ILE 29 HG21 ILE 29 -15.850 8.728 7.513 350 HG22 ILE 29 HG22 ILE 29 -16.856 7.400 8.057 351 HG23 ILE 29 HG23 ILE 29 -15.560 7.100 6.885 352 HD11 ILE 29 HD11 ILE 29 -15.031 5.128 7.289 353 HD12 ILE 29 HD12 ILE 29 -14.509 3.966 8.502 354 HD13 ILE 29 HD13 ILE 29 -13.388 5.201 7.934 355 H ASP 30 HN ASP 30 -13.265 8.488 6.205 356 HA ASP 30 HA ASP 30 -13.273 10.178 4.824 357 HB2 ASP 30 HB2 ASP 30 -14.816 11.556 7.014 358 HB3 ASP 30 HB1 ASP 30 -14.393 12.396 5.524 359 H ASP 31 HN ASP 31 -11.064 9.649 6.591 360 HA ASP 31 HA ASP 31 -9.853 12.274 6.671 361 HB2 ASP 31 HB2 ASP 31 -9.569 10.533 8.552 362 HB3 ASP 31 HB1 ASP 31 -8.546 9.644 7.429 363 H GLU 32 HN GLU 32 -7.889 12.489 5.533 364 HA GLU 32 HA GLU 32 -8.297 11.402 2.882 365 HB2 GLU 32 HB2 GLU 32 -8.395 13.763 3.079 366 HB3 GLU 32 HB1 GLU 32 -6.867 13.837 3.914 367 HG2 GLU 32 HG2 GLU 32 -5.693 13.291 1.968 368 HG3 GLU 32 HG1 GLU 32 -7.179 12.851 1.109 369 H VAL 33 HN VAL 33 -6.798 10.286 1.737 370 HA VAL 33 HA VAL 33 -4.187 9.878 2.951 371 HB VAL 33 HB VAL 33 -4.177 7.509 2.888 372 HG11 VAL 33 HG11 VAL 33 -6.011 6.772 4.219 373 HG12 VAL 33 HG12 VAL 33 -6.947 8.142 3.618 374 HG13 VAL 33 HG13 VAL 33 -5.547 8.441 4.692 375 HG21 VAL 33 HG21 VAL 33 -5.876 6.109 1.894 376 HG22 VAL 33 HG22 VAL 33 -5.194 7.205 0.691 377 HG23 VAL 33 HG23 VAL 33 -6.787 7.539 1.411 378 H LYS 34 HN LYS 34 -2.611 9.006 1.661 379 HA LYS 34 HA LYS 34 -2.922 9.704 -1.181 380 HB2 LYS 34 HB2 LYS 34 -0.491 9.059 0.455 381 HB3 LYS 34 HB1 LYS 34 -0.445 9.407 -1.262 382 HG2 LYS 34 HG2 LYS 34 -1.246 11.687 -0.803 383 HG3 LYS 34 HG1 LYS 34 -1.269 11.309 0.922 384 HD2 LYS 34 HD2 LYS 34 1.186 11.226 -0.842 385 HD3 LYS 34 HD1 LYS 34 0.775 12.536 0.266 386 HE2 LYS 34 HE2 LYS 34 0.906 10.991 2.163 387 HE3 LYS 34 HE1 LYS 34 1.218 9.670 1.039 388 HZ1 LYS 34 HZ1 LYS 34 3.314 10.662 0.463 389 HZ2 LYS 34 HZ2 LYS 34 3.176 10.382 2.116 390 HZ3 LYS 34 HZ3 LYS 34 3.041 11.961 1.533 391 H ILE 35 HN ILE 35 -3.053 8.177 -2.639 392 HA ILE 35 HA ILE 35 -2.154 5.453 -2.013 393 HB ILE 35 HB ILE 35 -4.211 6.293 -4.108 394 HG12 ILE 35 HG12 ILE 35 -5.758 4.737 -2.757 395 HG13 ILE 35 HG11 ILE 35 -4.583 4.908 -1.463 396 HG21 ILE 35 HG21 ILE 35 -3.106 3.587 -3.438 397 HG22 ILE 35 HG22 ILE 35 -3.043 4.441 -4.983 398 HG23 ILE 35 HG23 ILE 35 -4.573 3.820 -4.372 399 HD11 ILE 35 HD11 ILE 35 -6.414 6.372 -1.161 400 HD12 ILE 35 HD12 ILE 35 -6.136 7.088 -2.769 401 HD13 ILE 35 HD13 ILE 35 -4.947 7.311 -1.480 402 H ASP 36 HN ASP 36 -0.514 4.815 -3.193 403 HA ASP 36 HA ASP 36 -0.049 6.110 -5.795 404 HB2 ASP 36 HB2 ASP 36 1.481 6.874 -3.688 405 HB3 ASP 36 HB1 ASP 36 2.323 5.421 -4.160 406 H LEU 37 HN LEU 37 1.184 4.693 -7.272 407 HA LEU 37 HA LEU 37 1.083 2.004 -6.440 408 HB2 LEU 37 HB2 LEU 37 -0.145 2.779 -8.508 409 HB3 LEU 37 HB1 LEU 37 1.435 3.312 -9.067 410 HG LEU 37 HG LEU 37 0.456 1.161 -10.004 411 HD11 LEU 37 HD11 LEU 37 2.703 1.885 -10.494 412 HD12 LEU 37 HD12 LEU 37 2.721 0.135 -10.198 413 HD13 LEU 37 HD13 LEU 37 3.253 1.275 -8.944 414 HD21 LEU 37 HD21 LEU 37 0.944 -0.847 -8.774 415 HD22 LEU 37 HD22 LEU 37 -0.110 0.256 -7.836 416 HD23 LEU 37 HD23 LEU 37 1.610 0.145 -7.474 417 H VAL 38 HN VAL 38 2.921 1.256 -6.069 418 HA VAL 38 HA VAL 38 5.424 2.424 -7.099 419 HB VAL 38 HB VAL 38 5.024 2.004 -4.123 420 HG11 VAL 38 HG11 VAL 38 7.231 3.065 -3.863 421 HG12 VAL 38 HG12 VAL 38 7.382 3.138 -5.617 422 HG13 VAL 38 HG13 VAL 38 7.302 1.572 -4.801 423 HG21 VAL 38 HG21 VAL 38 5.244 4.446 -3.848 424 HG22 VAL 38 HG22 VAL 38 3.833 4.017 -4.819 425 HG23 VAL 38 HG23 VAL 38 5.289 4.630 -5.602 426 H ASP 39 HN ASP 39 6.635 0.770 -7.771 427 HA ASP 39 HA ASP 39 7.657 -1.257 -7.950 428 HB2 ASP 39 HB2 ASP 39 8.489 -0.650 -5.681 429 HB3 ASP 39 HB1 ASP 39 7.097 -1.440 -4.959 430 H GLY 40 HN GLY 40 4.724 -1.025 -8.198 431 HA2 GLY 40 HA2 GLY 40 3.269 -2.563 -9.202 432 HA3 GLY 40 HA1 GLY 40 4.288 -3.861 -8.609 433 H LYS 41 HN LYS 41 3.285 -1.534 -6.239 434 HA LYS 41 HA LYS 41 0.903 -3.039 -5.670 435 HB2 LYS 41 HB2 LYS 41 1.406 -3.204 -3.238 436 HB3 LYS 41 HB1 LYS 41 2.410 -4.235 -4.223 437 HG2 LYS 41 HG2 LYS 41 3.359 -1.540 -3.276 438 HG3 LYS 41 HG1 LYS 41 3.462 -2.952 -2.228 439 HD2 LYS 41 HD2 LYS 41 4.691 -2.816 -4.993 440 HD3 LYS 41 HD1 LYS 41 5.555 -2.407 -3.515 441 HE2 LYS 41 HE2 LYS 41 5.362 -4.550 -2.693 442 HE3 LYS 41 HE1 LYS 41 4.218 -5.078 -3.922 443 HZ1 LYS 41 HZ1 LYS 41 6.445 -5.899 -4.473 444 HZ2 LYS 41 HZ2 LYS 41 7.083 -4.348 -4.380 445 HZ3 LYS 41 HZ3 LYS 41 6.017 -4.719 -5.593 446 H LEU 42 HN LEU 42 -0.438 -1.968 -4.050 447 HA LEU 42 HA LEU 42 -0.229 0.871 -4.547 448 HB2 LEU 42 HB2 LEU 42 -2.528 -0.816 -3.559 449 HB3 LEU 42 HB1 LEU 42 -2.588 0.930 -3.667 450 HG LEU 42 HG LEU 42 -1.983 -0.753 -6.039 451 HD11 LEU 42 HD11 LEU 42 -4.116 -1.585 -5.090 452 HD12 LEU 42 HD12 LEU 42 -4.429 -0.691 -6.576 453 HD13 LEU 42 HD13 LEU 42 -4.730 0.068 -5.013 454 HD21 LEU 42 HD21 LEU 42 -3.148 1.150 -7.214 455 HD22 LEU 42 HD22 LEU 42 -1.626 1.584 -6.508 456 HD23 LEU 42 HD23 LEU 42 -3.141 2.023 -5.694 457 H ILE 43 HN ILE 43 0.395 2.085 -3.266 458 HA ILE 43 HA ILE 43 0.967 1.237 -0.527 459 HB ILE 43 HB ILE 43 1.978 3.578 -2.100 460 HG12 ILE 43 HG12 ILE 43 2.716 1.518 -3.080 461 HG13 ILE 43 HG11 ILE 43 4.090 2.345 -2.320 462 HG21 ILE 43 HG21 ILE 43 3.717 3.774 -0.378 463 HG22 ILE 43 HG22 ILE 43 2.874 2.535 0.574 464 HG23 ILE 43 HG23 ILE 43 2.078 4.076 0.195 465 HD11 ILE 43 HD11 ILE 43 3.945 0.745 -0.450 466 HD12 ILE 43 HD12 ILE 43 4.180 -0.098 -1.983 467 HD13 ILE 43 HD13 ILE 43 2.593 -0.056 -1.245 468 H ILE 44 HN ILE 44 -0.349 1.863 0.880 469 HA ILE 44 HA ILE 44 -2.057 4.245 0.467 470 HB ILE 44 HB ILE 44 -2.519 1.965 2.399 471 HG12 ILE 44 HG12 ILE 44 -2.670 1.120 0.096 472 HG13 ILE 44 HG11 ILE 44 -4.243 1.115 0.877 473 HG21 ILE 44 HG21 ILE 44 -4.356 4.185 1.506 474 HG22 ILE 44 HG22 ILE 44 -3.603 4.015 3.091 475 HG23 ILE 44 HG23 ILE 44 -4.815 2.848 2.561 476 HD11 ILE 44 HD11 ILE 44 -3.250 3.126 -1.123 477 HD12 ILE 44 HD12 ILE 44 -4.840 3.128 -0.352 478 HD13 ILE 44 HD13 ILE 44 -4.385 1.815 -1.434 479 H GLU 45 HN GLU 45 -1.055 5.884 1.454 480 HA GLU 45 HA GLU 45 -0.177 5.442 4.210 481 HB2 GLU 45 HB2 GLU 45 1.794 5.728 2.906 482 HB3 GLU 45 HB1 GLU 45 1.144 7.115 2.051 483 HG2 GLU 45 HG2 GLU 45 1.213 8.334 4.262 484 HG3 GLU 45 HG1 GLU 45 2.033 6.926 4.933 485 HA PRO 46 HA PRO 46 -3.404 8.386 4.929 486 HB2 PRO 46 HB2 PRO 46 -2.538 8.825 7.575 487 HB3 PRO 46 HB1 PRO 46 -3.800 7.722 7.028 488 HG2 PRO 46 HG2 PRO 46 -1.050 7.297 7.705 489 HG3 PRO 46 HG1 PRO 46 -2.460 6.201 7.814 490 HD2 PRO 46 HD2 PRO 46 -0.480 5.988 5.880 491 HD3 PRO 46 HD1 PRO 46 -2.169 5.481 5.537 492 H VAL 47 HN VAL 47 -3.476 10.538 5.383 493 HA VAL 47 HA VAL 47 -0.932 11.915 4.854 494 HB VAL 47 HB VAL 47 -3.653 13.245 4.767 495 HG11 VAL 47 HG11 VAL 47 -0.998 13.994 3.654 496 HG12 VAL 47 HG12 VAL 47 -1.775 14.759 5.067 497 HG13 VAL 47 HG13 VAL 47 -2.485 14.914 3.437 498 HG21 VAL 47 HG21 VAL 47 -2.055 12.034 2.551 499 HG22 VAL 47 HG22 VAL 47 -3.328 13.217 2.292 500 HG23 VAL 47 HG23 VAL 47 -3.728 11.662 3.022 501 H ARG 48 HN ARG 48 0.064 12.539 6.504 502 HA ARG 48 HA ARG 48 -1.368 12.832 8.963 503 HB2 ARG 48 HB2 ARG 48 0.780 12.979 10.048 504 HB3 ARG 48 HB1 ARG 48 0.655 11.554 9.033 505 HG2 ARG 48 HG2 ARG 48 2.022 12.590 7.350 506 HG3 ARG 48 HG1 ARG 48 2.073 14.092 8.279 507 HD2 ARG 48 HD2 ARG 48 4.084 12.889 8.683 508 HD3 ARG 48 HD1 ARG 48 3.046 12.868 10.118 509 HE ARG 48 HE ARG 48 2.721 10.582 8.415 510 HH11 ARG 48 HH11 ARG 48 4.416 11.900 11.227 511 HH12 ARG 48 HH12 ARG 48 4.994 10.399 11.763 512 HH21 ARG 48 HH21 ARG 48 3.507 8.486 9.188 513 HH22 ARG 48 HH22 ARG 48 4.501 8.427 10.555 514 H LYS 49 HN LYS 49 -1.937 14.522 9.878 515 HA LYS 49 HA LYS 49 -0.690 16.960 9.449 516 HB2 LYS 49 HB2 LYS 49 -3.259 17.817 9.550 517 HB3 LYS 49 HB1 LYS 49 -2.332 17.609 8.067 518 HG2 LYS 49 HG2 LYS 49 -4.498 16.664 7.774 519 HG3 LYS 49 HG1 LYS 49 -3.299 15.377 7.814 520 HD2 LYS 49 HD2 LYS 49 -3.905 15.202 10.308 521 HD3 LYS 49 HD1 LYS 49 -5.356 16.113 9.857 522 HE2 LYS 49 HE2 LYS 49 -5.584 14.515 7.994 523 HE3 LYS 49 HE1 LYS 49 -4.387 13.518 8.766 524 HZ1 LYS 49 HZ1 LYS 49 -6.992 14.260 9.981 525 HZ2 LYS 49 HZ2 LYS 49 -5.778 13.416 10.782 526 HZ3 LYS 49 HZ3 LYS 49 -6.541 12.730 9.433 527 H GLU 50 HN GLU 50 -1.120 18.277 11.200 528 HA GLU 50 HA GLU 50 -1.267 18.807 13.406 529 HB2 GLU 50 HB2 GLU 50 -3.235 16.506 13.552 530 HB3 GLU 50 HB1 GLU 50 -2.933 17.637 14.861 531 HG2 GLU 50 HG2 GLU 50 -3.874 19.446 13.500 532 HG3 GLU 50 HG1 GLU 50 -4.145 18.311 12.171 533 H1 ASN -16 HT1 ASN -16 31.980 20.177 -24.374 534 H2 ASN -16 HT2 ASN -16 33.554 19.614 -24.245 535 H3 ASN -16 HT3 ASN -16 32.981 20.791 -23.163 536 HA ASN -16 HA ASN -16 33.083 18.565 -22.179 537 HB2 ASN -16 HB2 ASN -16 30.304 19.714 -22.607 538 HB3 ASN -16 HB1 ASN -16 30.665 18.493 -21.405 539 HD21 ASN -16 HD21 ASN -16 30.093 19.795 -19.661 540 HD22 ASN -16 HD22 ASN -16 31.011 21.166 -19.207 541 H HIS -15 HN HIS -15 31.644 16.489 -22.089 542 HA HIS -15 HA HIS -15 31.904 15.354 -24.694 543 HB2 HIS -15 HB2 HIS -15 30.902 14.170 -22.100 544 HB3 HIS -15 HB1 HIS -15 30.946 13.264 -23.606 545 HD1 HIS -15 HD1 HIS -15 33.332 12.645 -24.548 546 HD2 HIS -15 HD2 HIS -15 33.332 14.531 -20.856 547 HE1 HIS -15 HE1 HIS -15 35.640 12.402 -23.666 548 H LYS -14 HN LYS -14 29.197 15.970 -22.560 549 HA LYS -14 HA LYS -14 27.493 15.968 -24.951 550 HB2 LYS -14 HB2 LYS -14 26.701 15.368 -22.088 551 HB3 LYS -14 HB1 LYS -14 25.608 15.436 -23.458 552 HG2 LYS -14 HG2 LYS -14 26.778 13.505 -24.450 553 HG3 LYS -14 HG1 LYS -14 27.808 13.428 -23.020 554 HD2 LYS -14 HD2 LYS -14 25.810 13.113 -21.618 555 HD3 LYS -14 HD1 LYS -14 24.805 13.145 -23.065 556 HE2 LYS -14 HE2 LYS -14 25.188 10.867 -22.362 557 HE3 LYS -14 HE1 LYS -14 25.977 11.162 -23.908 558 HZ1 LYS -14 HZ1 LYS -14 27.342 11.180 -21.268 559 HZ2 LYS -14 HZ2 LYS -14 28.090 11.371 -22.756 560 HZ3 LYS -14 HZ3 LYS -14 27.386 9.906 -22.353 561 H VAL -13 HN VAL -13 25.878 17.639 -24.930 562 HA VAL -13 HA VAL -13 26.784 19.985 -23.513 563 HB VAL -13 HB VAL -13 24.355 19.721 -25.331 564 HG11 VAL -13 HG11 VAL -13 24.522 22.160 -25.562 565 HG12 VAL -13 HG12 VAL -13 25.866 22.173 -24.423 566 HG13 VAL -13 HG13 VAL -13 24.261 21.676 -23.888 567 HG21 VAL -13 HG21 VAL -13 27.152 20.623 -26.041 568 HG22 VAL -13 HG22 VAL -13 25.752 20.693 -27.112 569 HG23 VAL -13 HG23 VAL -13 26.370 19.133 -26.574 570 H HIS -12 HN HIS -12 26.404 19.173 -21.448 571 HA HIS -12 HA HIS -12 23.736 18.448 -20.779 572 HB2 HIS -12 HB2 HIS -12 24.590 18.039 -18.424 573 HB3 HIS -12 HB1 HIS -12 25.297 17.052 -19.689 574 HD1 HIS -12 HD1 HIS -12 26.234 18.954 -16.796 575 HD2 HIS -12 HD2 HIS -12 27.942 18.168 -20.497 576 HE1 HIS -12 HE1 HIS -12 28.702 19.410 -16.549 577 H HIS -11 HN HIS -11 23.120 20.475 -21.564 578 HA HIS -11 HA HIS -11 22.842 22.523 -19.487 579 HB2 HIS -11 HB2 HIS -11 23.364 23.282 -21.785 580 HB3 HIS -11 HB1 HIS -11 21.968 22.413 -22.399 581 HD1 HIS -11 HD1 HIS -11 19.924 23.871 -22.740 582 HD2 HIS -11 HD2 HIS -11 22.537 25.412 -19.895 583 HE1 HIS -11 HE1 HIS -11 18.976 26.078 -22.054 584 H HIS -10 HN HIS -10 21.353 19.841 -20.958 585 HA HIS -10 HA HIS -10 18.730 20.542 -19.904 586 HB2 HIS -10 HB2 HIS -10 19.495 18.514 -22.028 587 HB3 HIS -10 HB1 HIS -10 17.857 18.805 -21.451 588 HD1 HIS -10 HD1 HIS -10 16.574 20.706 -22.582 589 HD2 HIS -10 HD2 HIS -10 20.631 20.700 -23.492 590 HE1 HIS -10 HE1 HIS -10 16.901 22.427 -24.409 591 H HIS -9 HN HIS -9 17.758 19.149 -18.533 592 HA HIS -9 HA HIS -9 19.379 16.917 -17.556 593 HB2 HIS -9 HB2 HIS -9 18.403 17.405 -15.273 594 HB3 HIS -9 HB1 HIS -9 19.495 18.648 -15.870 595 HD1 HIS -9 HD1 HIS -9 18.553 21.038 -15.937 596 HD2 HIS -9 HD2 HIS -9 15.613 18.139 -15.427 597 HE1 HIS -9 HE1 HIS -9 16.427 22.264 -15.484 598 H HIS -8 HN HIS -8 18.044 15.264 -16.430 599 HA HIS -8 HA HIS -8 15.505 14.974 -17.869 600 HB2 HIS -8 HB2 HIS -8 17.408 12.837 -16.882 601 HB3 HIS -8 HB1 HIS -8 15.843 12.512 -17.610 602 HD1 HIS -8 HD1 HIS -8 15.806 12.339 -20.158 603 HD2 HIS -8 HD2 HIS -8 19.339 13.974 -18.692 604 HE1 HIS -8 HE1 HIS -8 17.377 12.507 -22.128 605 H HIS -7 HN HIS -7 13.701 14.445 -16.730 606 HA HIS -7 HA HIS -7 13.969 14.371 -13.807 607 HB2 HIS -7 HB2 HIS -7 11.664 15.149 -15.578 608 HB3 HIS -7 HB1 HIS -7 11.425 14.754 -13.883 609 HD1 HIS -7 HD1 HIS -7 12.097 16.503 -12.176 610 HD2 HIS -7 HD2 HIS -7 13.026 17.545 -16.084 611 HE1 HIS -7 HE1 HIS -7 12.736 18.941 -12.121 612 H MET -6 HN MET -6 13.222 12.709 -12.642 613 HA MET -6 HA MET -6 11.892 10.547 -14.067 614 HB2 MET -6 HB2 MET -6 13.463 8.842 -13.115 615 HB3 MET -6 HB1 MET -6 14.162 9.891 -14.327 616 HG2 MET -6 HG2 MET -6 15.276 11.190 -12.616 617 HG3 MET -6 HG1 MET -6 14.523 10.216 -11.356 618 HE1 MET -6 HE1 MET -6 17.013 9.896 -10.348 619 HE2 MET -6 HE2 MET -6 17.683 10.818 -11.692 620 HE3 MET -6 HE3 MET -6 18.361 9.244 -11.279 621 H SER -5 HN SER -5 13.024 11.651 -10.858 622 HA SER -5 HA SER -5 11.447 9.807 -9.448 623 HB2 SER -5 HB2 SER -5 12.627 12.416 -8.517 624 HB3 SER -5 HB1 SER -5 12.210 11.017 -7.521 625 HG SER -5 HG SER -5 13.914 9.989 -8.188 626 H ASP -4 HN ASP -4 10.890 12.931 -10.781 627 HA ASP -4 HA ASP -4 8.804 13.942 -9.263 628 HB2 ASP -4 HB2 ASP -4 9.192 14.199 -12.242 629 HB3 ASP -4 HB1 ASP -4 8.245 15.263 -11.218 630 H ASP -3 HN ASP -3 8.897 11.676 -11.778 631 HA ASP -3 HA ASP -3 6.103 11.686 -12.441 632 HB2 ASP -3 HB2 ASP -3 8.203 9.661 -13.185 633 HB3 ASP -3 HB1 ASP -3 6.611 9.823 -13.907 634 H ASP -2 HN ASP -2 8.127 9.778 -10.309 635 HA ASP -2 HA ASP -2 6.138 7.684 -10.312 636 HB2 ASP -2 HB2 ASP -2 8.622 7.168 -10.316 637 HB3 ASP -2 HB1 ASP -2 8.634 7.658 -8.627 638 H ASP -1 HN ASP -1 7.173 10.184 -8.063 639 HA ASP -1 HA ASP -1 5.270 9.164 -6.139 640 HB2 ASP -1 HB2 ASP -1 6.935 11.695 -6.170 641 HB3 ASP -1 HB1 ASP -1 5.660 11.467 -4.986 642 H LYS 0 HN LYS 0 3.275 9.142 -6.776 643 HA LYS 0 HA LYS 0 2.275 11.214 -8.585 644 HB2 LYS 0 HB2 LYS 0 0.862 8.623 -7.822 645 HB3 LYS 0 HB1 LYS 0 0.620 9.647 -9.225 646 HG2 LYS 0 HG2 LYS 0 2.652 8.995 -10.205 647 HG3 LYS 0 HG1 LYS 0 3.215 8.258 -8.713 648 HD2 LYS 0 HD2 LYS 0 1.272 6.635 -8.953 649 HD3 LYS 0 HD1 LYS 0 1.082 7.271 -10.593 650 HE2 LYS 0 HE2 LYS 0 2.466 5.257 -10.616 651 HE3 LYS 0 HE1 LYS 0 3.423 6.666 -11.080 652 HZ1 LYS 0 HZ1 LYS 0 4.206 6.741 -8.713 653 HZ2 LYS 0 HZ2 LYS 0 4.734 5.391 -9.493 654 HZ3 LYS 0 HZ3 LYS 0 3.447 5.301 -8.415 655 H GLY 1 HN GLY 1 1.568 9.636 -5.545 656 HA2 GLY 1 HA2 GLY 1 0.233 10.181 -3.756 657 HA3 GLY 1 HA1 GLY 1 0.669 11.831 -4.149 658 H ILE 2 HN ILE 2 -1.666 9.276 -5.045 659 HA ILE 2 HA ILE 2 -3.575 11.261 -5.950 660 HB ILE 2 HB ILE 2 -3.884 8.246 -5.542 661 HG12 ILE 2 HG12 ILE 2 -3.426 9.811 -8.097 662 HG13 ILE 2 HG11 ILE 2 -2.207 8.856 -7.262 663 HG21 ILE 2 HG21 ILE 2 -6.023 9.512 -5.465 664 HG22 ILE 2 HG22 ILE 2 -5.915 8.380 -6.801 665 HG23 ILE 2 HG23 ILE 2 -5.691 10.102 -7.096 666 HD11 ILE 2 HD11 ILE 2 -4.739 7.792 -8.503 667 HD12 ILE 2 HD12 ILE 2 -3.504 6.831 -7.686 668 HD13 ILE 2 HD13 ILE 2 -3.118 7.674 -9.186 669 H HIS 3 HN HIS 3 -5.014 12.245 -4.559 670 HA HIS 3 HA HIS 3 -4.988 11.266 -1.818 671 HB2 HIS 3 HB2 HIS 3 -5.963 13.928 -2.879 672 HB3 HIS 3 HB1 HIS 3 -5.930 13.450 -1.191 673 HD1 HIS 3 HD1 HIS 3 -3.954 15.212 -3.630 674 HD2 HIS 3 HD2 HIS 3 -3.190 12.853 -0.303 675 HE1 HIS 3 HE1 HIS 3 -1.562 15.657 -2.990 676 H SER 4 HN SER 4 -6.538 10.238 -1.031 677 HA SER 4 HA SER 4 -9.289 10.599 -1.978 678 HB2 SER 4 HB2 SER 4 -7.746 8.141 -1.471 679 HB3 SER 4 HB1 SER 4 -9.474 8.052 -1.553 680 HG SER 4 HG SER 4 -8.087 9.356 -3.620 681 H SER 5 HN SER 5 -10.434 8.792 -0.162 682 HA SER 5 HA SER 5 -9.400 9.502 2.413 683 HB2 SER 5 HB2 SER 5 -11.833 10.118 3.011 684 HB3 SER 5 HB1 SER 5 -10.871 11.306 2.131 685 HG SER 5 HG SER 5 -11.892 10.795 0.285 686 H VAL 6 HN VAL 6 -10.691 8.320 4.056 687 HA VAL 6 HA VAL 6 -11.281 5.598 3.094 688 HB VAL 6 HB VAL 6 -10.657 6.498 5.916 689 HG11 VAL 6 HG11 VAL 6 -10.957 3.753 4.709 690 HG12 VAL 6 HG12 VAL 6 -11.935 4.494 5.983 691 HG13 VAL 6 HG13 VAL 6 -10.259 4.065 6.293 692 HG21 VAL 6 HG21 VAL 6 -8.733 6.857 4.681 693 HG22 VAL 6 HG22 VAL 6 -8.944 5.353 3.782 694 HG23 VAL 6 HG23 VAL 6 -8.472 5.299 5.498 695 H LYS 7 HN LYS 7 -13.352 5.206 3.011 696 HA LYS 7 HA LYS 7 -14.992 6.910 4.671 697 HB2 LYS 7 HB2 LYS 7 -15.412 6.015 1.871 698 HB3 LYS 7 HB1 LYS 7 -16.715 6.715 2.889 699 HG2 LYS 7 HG2 LYS 7 -15.589 8.748 3.073 700 HG3 LYS 7 HG1 LYS 7 -14.091 8.067 2.428 701 HD2 LYS 7 HD2 LYS 7 -15.018 7.693 0.422 702 HD3 LYS 7 HD1 LYS 7 -16.657 8.180 0.941 703 HE2 LYS 7 HE2 LYS 7 -14.191 9.951 0.700 704 HE3 LYS 7 HE1 LYS 7 -15.543 9.961 -0.425 705 HZ1 LYS 7 HZ1 LYS 7 -15.745 10.694 2.464 706 HZ2 LYS 7 HZ2 LYS 7 -16.965 10.840 1.315 707 HZ3 LYS 7 HZ3 LYS 7 -15.580 11.776 1.202 708 H ARG 8 HN ARG 8 -17.329 5.866 4.836 709 HA ARG 8 HA ARG 8 -16.757 3.322 6.147 710 HB2 ARG 8 HB2 ARG 8 -17.857 5.256 7.320 711 HB3 ARG 8 HB1 ARG 8 -19.278 4.935 6.330 712 HG2 ARG 8 HG2 ARG 8 -19.200 2.591 7.259 713 HG3 ARG 8 HG1 ARG 8 -18.020 3.202 8.416 714 HD2 ARG 8 HD2 ARG 8 -20.877 4.061 8.061 715 HD3 ARG 8 HD1 ARG 8 -20.133 3.293 9.460 716 HE ARG 8 HE ARG 8 -19.352 5.986 8.587 717 HH11 ARG 8 HH11 ARG 8 -20.452 3.807 11.161 718 HH12 ARG 8 HH12 ARG 8 -20.518 5.029 12.337 719 HH21 ARG 8 HH21 ARG 8 -19.438 7.628 10.185 720 HH22 ARG 8 HH22 ARG 8 -19.908 7.269 11.790 721 H TRP 9 HN TRP 9 -17.269 1.524 5.054 722 HA TRP 9 HA TRP 9 -19.653 1.498 3.323 723 HB2 TRP 9 HB2 TRP 9 -17.409 1.000 2.258 724 HB3 TRP 9 HB1 TRP 9 -17.271 -0.359 3.327 725 HD1 TRP 9 HD1 TRP 9 -20.744 -0.015 1.914 726 HE1 TRP 9 HE1 TRP 9 -21.080 -1.700 0.049 727 HE3 TRP 9 HE3 TRP 9 -15.872 -1.745 1.293 728 HZ2 TRP 9 HZ2 TRP 9 -19.646 -3.514 -1.403 729 HZ3 TRP 9 HZ3 TRP 9 -15.524 -3.436 -0.311 730 HH2 TRP 9 HH2 TRP 9 -17.407 -4.312 -1.692 731 H GLY 10 HN GLY 10 -21.167 1.003 4.878 732 HA2 GLY 10 HA2 GLY 10 -22.366 -0.357 6.257 733 HA3 GLY 10 HA1 GLY 10 -21.167 -1.629 5.984 734 H ASN 11 HN ASN 11 -20.470 -2.205 7.918 735 HA ASN 11 HA ASN 11 -19.706 -0.139 9.838 736 HB2 ASN 11 HB2 ASN 11 -21.009 -2.072 10.628 737 HB3 ASN 11 HB1 ASN 11 -19.790 -3.170 10.012 738 HD21 ASN 11 HD21 ASN 11 -20.583 -0.866 12.509 739 HD22 ASN 11 HD22 ASN 11 -19.374 -1.396 13.620 740 H SER 12 HN SER 12 -18.120 -0.831 7.144 741 HA SER 12 HA SER 12 -15.663 -1.631 8.407 742 HB2 SER 12 HB2 SER 12 -16.705 -3.428 7.008 743 HB3 SER 12 HB1 SER 12 -16.750 -2.271 5.693 744 HG SER 12 HG SER 12 -14.312 -2.196 6.197 745 HA PRO 13 HA PRO 13 -14.408 2.243 6.439 746 HB2 PRO 13 HB2 PRO 13 -11.696 1.657 7.064 747 HB3 PRO 13 HB1 PRO 13 -12.756 2.772 7.916 748 HG2 PRO 13 HG2 PRO 13 -11.814 0.181 8.756 749 HG3 PRO 13 HG1 PRO 13 -12.761 1.360 9.665 750 HD2 PRO 13 HD2 PRO 13 -13.677 -1.118 8.536 751 HD3 PRO 13 HD1 PRO 13 -14.607 0.111 9.394 752 H ALA 14 HN ALA 14 -14.021 2.365 4.291 753 HA ALA 14 HA ALA 14 -12.299 0.351 3.083 754 HB1 ALA 14 HB1 ALA 14 -14.630 -0.340 2.756 755 HB2 ALA 14 HB2 ALA 14 -13.861 0.108 1.235 756 HB3 ALA 14 HB3 ALA 14 -14.986 1.224 2.015 757 H VAL 15 HN VAL 15 -11.164 1.094 1.351 758 HA VAL 15 HA VAL 15 -11.445 3.955 0.796 759 HB VAL 15 HB VAL 15 -9.281 3.369 1.931 760 HG11 VAL 15 HG11 VAL 15 -8.638 1.838 -0.574 761 HG12 VAL 15 HG12 VAL 15 -8.930 1.159 1.022 762 HG13 VAL 15 HG13 VAL 15 -7.521 2.185 0.749 763 HG21 VAL 15 HG21 VAL 15 -8.994 4.418 -0.884 764 HG22 VAL 15 HG22 VAL 15 -7.791 4.596 0.393 765 HG23 VAL 15 HG23 VAL 15 -9.368 5.364 0.558 766 H ARG 16 HN ARG 16 -11.514 4.597 -1.291 767 HA ARG 16 HA ARG 16 -12.357 2.666 -3.209 768 HB2 ARG 16 HB2 ARG 16 -11.982 5.617 -3.258 769 HB3 ARG 16 HB1 ARG 16 -12.501 4.711 -4.681 770 HG2 ARG 16 HG2 ARG 16 -14.418 3.943 -3.403 771 HG3 ARG 16 HG1 ARG 16 -13.934 4.925 -2.034 772 HD2 ARG 16 HD2 ARG 16 -14.022 6.924 -3.426 773 HD3 ARG 16 HD1 ARG 16 -14.501 5.942 -4.804 774 HE ARG 16 HE ARG 16 -16.284 5.618 -2.629 775 HH11 ARG 16 HH11 ARG 16 -15.461 7.713 -5.346 776 HH12 ARG 16 HH12 ARG 16 -17.001 8.435 -5.446 777 HH21 ARG 16 HH21 ARG 16 -18.416 6.646 -2.750 778 HH22 ARG 16 HH22 ARG 16 -18.690 7.827 -3.945 779 H ILE 17 HN ILE 17 -11.141 1.707 -4.701 780 HA ILE 17 HA ILE 17 -8.513 2.809 -5.333 781 HB ILE 17 HB ILE 17 -9.632 -0.013 -5.549 782 HG12 ILE 17 HG12 ILE 17 -7.397 -0.573 -4.417 783 HG13 ILE 17 HG11 ILE 17 -7.266 1.152 -4.116 784 HG21 ILE 17 HG21 ILE 17 -7.070 0.919 -6.781 785 HG22 ILE 17 HG22 ILE 17 -8.519 0.356 -7.640 786 HG23 ILE 17 HG23 ILE 17 -7.603 -0.751 -6.587 787 HD11 ILE 17 HD11 ILE 17 -9.315 1.077 -2.874 788 HD12 ILE 17 HD12 ILE 17 -8.097 -0.054 -2.245 789 HD13 ILE 17 HD13 ILE 17 -9.442 -0.651 -3.245 790 HA PRO 18 HA PRO 18 -10.365 4.026 -9.230 791 HB2 PRO 18 HB2 PRO 18 -7.672 4.049 -10.398 792 HB3 PRO 18 HB1 PRO 18 -8.790 5.380 -10.142 793 HG2 PRO 18 HG2 PRO 18 -6.506 5.047 -8.683 794 HG3 PRO 18 HG1 PRO 18 -7.947 5.905 -8.114 795 HD2 PRO 18 HD2 PRO 18 -6.958 3.190 -7.413 796 HD3 PRO 18 HD1 PRO 18 -7.872 4.365 -6.438 797 H ALA 19 HN ALA 19 -11.076 2.879 -10.929 798 HA ALA 19 HA ALA 19 -10.497 0.135 -11.149 799 HB1 ALA 19 HB1 ALA 19 -12.674 1.065 -11.740 800 HB2 ALA 19 HB2 ALA 19 -11.984 0.182 -13.104 801 HB3 ALA 19 HB3 ALA 19 -11.944 1.945 -13.082 802 H THR 20 HN THR 20 -9.243 2.963 -12.697 803 HA THR 20 HA THR 20 -7.927 1.868 -14.873 804 HB THR 20 HB THR 20 -6.969 4.129 -13.100 805 HG1 THR 20 HG1 THR 20 -8.652 4.363 -15.358 806 HG21 THR 20 HG21 THR 20 -6.065 5.031 -15.185 807 HG22 THR 20 HG22 THR 20 -6.674 3.629 -16.072 808 HG23 THR 20 HG23 THR 20 -5.399 3.428 -14.865 809 H LEU 21 HN LEU 21 -7.004 2.015 -11.426 810 HA LEU 21 HA LEU 21 -4.385 0.930 -11.877 811 HB2 LEU 21 HB2 LEU 21 -5.979 1.694 -9.493 812 HB3 LEU 21 HB1 LEU 21 -4.625 0.600 -9.284 813 HG LEU 21 HG LEU 21 -4.203 2.949 -8.840 814 HD11 LEU 21 HD11 LEU 21 -1.994 2.968 -10.075 815 HD12 LEU 21 HD12 LEU 21 -2.609 1.668 -11.097 816 HD13 LEU 21 HD13 LEU 21 -2.357 1.388 -9.378 817 HD21 LEU 21 HD21 LEU 21 -3.763 4.460 -10.809 818 HD22 LEU 21 HD22 LEU 21 -5.461 4.022 -10.573 819 HD23 LEU 21 HD23 LEU 21 -4.502 3.195 -11.807 820 H MET 22 HN MET 22 -7.426 -0.138 -10.873 821 HA MET 22 HA MET 22 -6.937 -2.811 -10.232 822 HB2 MET 22 HB2 MET 22 -9.257 -1.680 -11.796 823 HB3 MET 22 HB1 MET 22 -9.224 -3.313 -11.172 824 HG2 MET 22 HG2 MET 22 -9.026 -0.849 -9.456 825 HG3 MET 22 HG1 MET 22 -10.538 -1.672 -9.836 826 HE1 MET 22 HE1 MET 22 -10.124 -5.127 -8.204 827 HE2 MET 22 HE2 MET 22 -9.691 -4.672 -9.854 828 HE3 MET 22 HE3 MET 22 -11.168 -4.038 -9.129 829 H GLN 23 HN GLN 23 -7.667 -1.483 -13.338 830 HA GLN 23 HA GLN 23 -7.056 -3.801 -14.837 831 HB2 GLN 23 HB2 GLN 23 -6.976 -0.924 -15.685 832 HB3 GLN 23 HB1 GLN 23 -6.965 -2.312 -16.766 833 HG2 GLN 23 HG2 GLN 23 -9.152 -1.501 -14.895 834 HG3 GLN 23 HG1 GLN 23 -9.091 -1.300 -16.648 835 HE21 GLN 23 HE21 GLN 23 -10.997 -2.765 -14.952 836 HE22 GLN 23 HE22 GLN 23 -10.993 -4.396 -15.506 837 H ALA 24 HN ALA 24 -5.143 -1.171 -13.636 838 HA ALA 24 HA ALA 24 -2.903 -1.498 -15.383 839 HB1 ALA 24 HB1 ALA 24 -2.840 -0.294 -12.623 840 HB2 ALA 24 HB2 ALA 24 -3.301 0.568 -14.090 841 HB3 ALA 24 HB3 ALA 24 -1.657 -0.049 -13.906 842 H LEU 25 HN LEU 25 -3.751 -3.074 -12.449 843 HA LEU 25 HA LEU 25 -1.231 -4.576 -12.540 844 HB2 LEU 25 HB2 LEU 25 -3.134 -3.992 -10.306 845 HB3 LEU 25 HB1 LEU 25 -1.790 -5.116 -10.161 846 HG LEU 25 HG LEU 25 -1.141 -2.391 -11.148 847 HD11 LEU 25 HD11 LEU 25 -2.719 -2.061 -9.280 848 HD12 LEU 25 HD12 LEU 25 -1.078 -1.480 -8.968 849 HD13 LEU 25 HD13 LEU 25 -1.618 -3.009 -8.266 850 HD21 LEU 25 HD21 LEU 25 0.148 -4.306 -9.220 851 HD22 LEU 25 HD22 LEU 25 0.859 -2.811 -9.819 852 HD23 LEU 25 HD23 LEU 25 0.548 -4.151 -10.929 853 H ASN 26 HN ASN 26 -4.111 -4.705 -13.654 854 HA ASN 26 HA ASN 26 -5.776 -6.035 -14.149 855 HB2 ASN 26 HB2 ASN 26 -3.958 -6.844 -15.656 856 HB3 ASN 26 HB1 ASN 26 -3.674 -8.166 -14.522 857 HD21 ASN 26 HD21 ASN 26 -4.268 -9.753 -15.979 858 HD22 ASN 26 HD22 ASN 26 -5.898 -10.009 -16.477 859 H LEU 27 HN LEU 27 -6.316 -5.817 -11.796 860 HA LEU 27 HA LEU 27 -6.865 -8.492 -10.921 861 HB2 LEU 27 HB2 LEU 27 -7.235 -7.590 -8.741 862 HB3 LEU 27 HB1 LEU 27 -5.559 -7.424 -9.228 863 HG LEU 27 HG LEU 27 -7.359 -5.075 -9.591 864 HD11 LEU 27 HD11 LEU 27 -7.940 -6.055 -7.459 865 HD12 LEU 27 HD12 LEU 27 -7.157 -4.481 -7.278 866 HD13 LEU 27 HD13 LEU 27 -6.256 -5.984 -6.938 867 HD21 LEU 27 HD21 LEU 27 -5.327 -3.901 -8.901 868 HD22 LEU 27 HD22 LEU 27 -5.002 -5.005 -10.239 869 HD23 LEU 27 HD23 LEU 27 -4.528 -5.446 -8.600 870 H ASN 28 HN ASN 28 -8.998 -8.689 -9.981 871 HA ASN 28 HA ASN 28 -10.890 -6.784 -11.179 872 HB2 ASN 28 HB2 ASN 28 -11.082 -9.802 -11.203 873 HB3 ASN 28 HB1 ASN 28 -12.403 -8.741 -11.654 874 HD21 ASN 28 HD21 ASN 28 -10.475 -6.883 -13.048 875 HD22 ASN 28 HD22 ASN 28 -10.084 -7.680 -14.516 876 H ILE 29 HN ILE 29 -13.218 -7.456 -10.258 877 HA ILE 29 HA ILE 29 -13.084 -6.982 -7.470 878 HB ILE 29 HB ILE 29 -15.419 -7.689 -9.266 879 HG12 ILE 29 HG12 ILE 29 -14.401 -5.481 -9.694 880 HG13 ILE 29 HG11 ILE 29 -16.038 -5.316 -9.062 881 HG21 ILE 29 HG21 ILE 29 -15.927 -8.389 -6.953 882 HG22 ILE 29 HG22 ILE 29 -16.952 -7.076 -7.503 883 HG23 ILE 29 HG23 ILE 29 -15.611 -6.735 -6.405 884 HD11 ILE 29 HD11 ILE 29 -15.051 -4.814 -6.854 885 HD12 ILE 29 HD12 ILE 29 -14.589 -3.671 -8.111 886 HD13 ILE 29 HD13 ILE 29 -13.444 -4.902 -7.583 887 H ASP 30 HN ASP 30 -13.401 -8.242 -5.785 888 HA ASP 30 HA ASP 30 -13.404 -9.948 -4.423 889 HB2 ASP 30 HB2 ASP 30 -14.801 -11.380 -6.673 890 HB3 ASP 30 HB1 ASP 30 -14.398 -12.198 -5.167 891 H ASP 31 HN ASP 31 -11.173 -9.349 -6.144 892 HA ASP 31 HA ASP 31 -9.900 -11.945 -6.315 893 HB2 ASP 31 HB2 ASP 31 -9.729 -9.907 -7.984 894 HB3 ASP 31 HB1 ASP 31 -8.505 -9.338 -6.849 895 H GLU 32 HN GLU 32 -8.084 -12.289 -5.059 896 HA GLU 32 HA GLU 32 -8.468 -11.187 -2.413 897 HB2 GLU 32 HB2 GLU 32 -8.599 -13.548 -2.561 898 HB3 GLU 32 HB1 GLU 32 -7.099 -13.657 -3.450 899 HG2 GLU 32 HG2 GLU 32 -5.854 -13.071 -1.528 900 HG3 GLU 32 HG1 GLU 32 -7.322 -12.694 -0.620 901 H VAL 33 HN VAL 33 -6.990 -10.050 -1.285 902 HA VAL 33 HA VAL 33 -4.343 -9.757 -2.450 903 HB VAL 33 HB VAL 33 -4.286 -7.398 -2.558 904 HG11 VAL 33 HG11 VAL 33 -6.189 -6.620 -3.826 905 HG12 VAL 33 HG12 VAL 33 -7.125 -7.955 -3.184 906 HG13 VAL 33 HG13 VAL 33 -5.787 -8.292 -4.307 907 HG21 VAL 33 HG21 VAL 33 -5.855 -5.871 -1.549 908 HG22 VAL 33 HG22 VAL 33 -5.205 -6.957 -0.318 909 HG23 VAL 33 HG23 VAL 33 -6.834 -7.221 -0.993 910 H LYS 34 HN LYS 34 -2.692 -8.973 -1.103 911 HA LYS 34 HA LYS 34 -3.164 -9.594 1.706 912 HB2 LYS 34 HB2 LYS 34 -0.644 -9.047 0.161 913 HB3 LYS 34 HB1 LYS 34 -0.689 -9.410 1.874 914 HG2 LYS 34 HG2 LYS 34 -1.561 -11.642 1.385 915 HG3 LYS 34 HG1 LYS 34 -1.546 -11.270 -0.340 916 HD2 LYS 34 HD2 LYS 34 0.894 -11.285 1.456 917 HD3 LYS 34 HD1 LYS 34 0.433 -12.598 0.372 918 HE2 LYS 34 HE2 LYS 34 0.673 -11.114 -1.556 919 HE3 LYS 34 HE1 LYS 34 1.035 -9.772 -0.473 920 HZ1 LYS 34 HZ1 LYS 34 3.030 -10.916 0.219 921 HZ2 LYS 34 HZ2 LYS 34 3.004 -10.566 -1.415 922 HZ3 LYS 34 HZ3 LYS 34 2.756 -12.165 -0.896 923 H ILE 35 HN ILE 35 -3.283 -8.054 3.167 924 HA ILE 35 HA ILE 35 -2.329 -5.348 2.561 925 HB ILE 35 HB ILE 35 -4.413 -6.200 4.631 926 HG12 ILE 35 HG12 ILE 35 -5.932 -4.611 3.280 927 HG13 ILE 35 HG11 ILE 35 -4.738 -4.763 2.005 928 HG21 ILE 35 HG21 ILE 35 -3.028 -4.321 5.378 929 HG22 ILE 35 HG22 ILE 35 -4.716 -3.874 5.170 930 HG23 ILE 35 HG23 ILE 35 -3.529 -3.402 3.955 931 HD11 ILE 35 HD11 ILE 35 -6.599 -6.214 1.651 932 HD12 ILE 35 HD12 ILE 35 -6.311 -6.967 3.240 933 HD13 ILE 35 HD13 ILE 35 -5.128 -7.161 1.941 934 H ASP 36 HN ASP 36 -0.633 -4.779 3.729 935 HA ASP 36 HA ASP 36 -0.224 -6.075 6.343 936 HB2 ASP 36 HB2 ASP 36 1.289 -6.910 4.259 937 HB3 ASP 36 HB1 ASP 36 2.181 -5.479 4.706 938 H LEU 37 HN LEU 37 0.926 -4.682 7.880 939 HA LEU 37 HA LEU 37 0.928 -1.996 7.059 940 HB2 LEU 37 HB2 LEU 37 -0.305 -2.761 9.120 941 HB3 LEU 37 HB1 LEU 37 1.268 -3.321 9.677 942 HG LEU 37 HG LEU 37 0.337 -1.156 10.640 943 HD11 LEU 37 HD11 LEU 37 2.567 -1.898 11.099 944 HD12 LEU 37 HD12 LEU 37 2.598 -0.146 10.801 945 HD13 LEU 37 HD13 LEU 37 3.105 -1.293 9.543 946 HD21 LEU 37 HD21 LEU 37 0.794 0.848 9.412 947 HD22 LEU 37 HD22 LEU 37 -0.263 -0.254 8.476 948 HD23 LEU 37 HD23 LEU 37 1.454 -0.130 8.098 949 H VAL 38 HN VAL 38 2.750 -1.253 6.669 950 HA VAL 38 HA VAL 38 5.241 -2.402 7.692 951 HB VAL 38 HB VAL 38 4.832 -2.015 4.716 952 HG11 VAL 38 HG11 VAL 38 7.056 -3.073 4.457 953 HG12 VAL 38 HG12 VAL 38 7.229 -3.079 6.209 954 HG13 VAL 38 HG13 VAL 38 7.112 -1.548 5.338 955 HG21 VAL 38 HG21 VAL 38 5.085 -4.466 4.478 956 HG22 VAL 38 HG22 VAL 38 3.671 -4.033 5.443 957 HG23 VAL 38 HG23 VAL 38 5.134 -4.611 6.239 958 H ASP 39 HN ASP 39 6.565 -0.797 8.240 959 HA ASP 39 HA ASP 39 7.564 1.230 8.440 960 HB2 ASP 39 HB2 ASP 39 8.355 0.655 6.174 961 HB3 ASP 39 HB1 ASP 39 6.930 1.392 5.460 962 H GLY 40 HN GLY 40 4.596 1.040 8.762 963 HA2 GLY 40 HA2 GLY 40 3.226 2.608 9.831 964 HA3 GLY 40 HA1 GLY 40 4.235 3.890 9.187 965 H LYS 41 HN LYS 41 3.232 1.596 6.832 966 HA LYS 41 HA LYS 41 0.832 3.096 6.269 967 HB2 LYS 41 HB2 LYS 41 1.353 3.191 3.831 968 HB3 LYS 41 HB1 LYS 41 2.345 4.243 4.813 969 HG2 LYS 41 HG2 LYS 41 3.337 1.532 3.983 970 HG3 LYS 41 HG1 LYS 41 3.417 2.888 2.860 971 HD2 LYS 41 HD2 LYS 41 4.609 2.981 5.642 972 HD3 LYS 41 HD1 LYS 41 5.501 2.457 4.211 973 HE2 LYS 41 HE2 LYS 41 5.338 4.519 3.223 974 HE3 LYS 41 HE1 LYS 41 4.095 5.112 4.317 975 HZ1 LYS 41 HZ1 LYS 41 6.257 6.052 4.821 976 HZ2 LYS 41 HZ2 LYS 41 6.917 4.503 5.067 977 HZ3 LYS 41 HZ3 LYS 41 5.733 5.090 6.100 978 H LEU 42 HN LEU 42 -0.473 2.033 4.596 979 HA LEU 42 HA LEU 42 -0.395 -0.802 5.156 980 HB2 LEU 42 HB2 LEU 42 -2.567 0.996 4.116 981 HB3 LEU 42 HB1 LEU 42 -2.713 -0.752 4.160 982 HG LEU 42 HG LEU 42 -2.088 0.874 6.565 983 HD11 LEU 42 HD11 LEU 42 -4.269 1.628 5.660 984 HD12 LEU 42 HD12 LEU 42 -4.525 0.693 7.133 985 HD13 LEU 42 HD13 LEU 42 -4.814 -0.046 5.558 986 HD21 LEU 42 HD21 LEU 42 -3.003 -1.095 7.756 987 HD22 LEU 42 HD22 LEU 42 -1.579 -1.465 6.789 988 HD23 LEU 42 HD23 LEU 42 -3.183 -1.910 6.205 989 H ILE 43 HN ILE 43 0.300 -2.024 3.859 990 HA ILE 43 HA ILE 43 0.885 -1.191 1.117 991 HB ILE 43 HB ILE 43 1.850 -3.549 2.705 992 HG12 ILE 43 HG12 ILE 43 2.631 -1.501 3.674 993 HG13 ILE 43 HG11 ILE 43 3.982 -2.361 2.911 994 HG21 ILE 43 HG21 ILE 43 3.588 -3.788 0.988 995 HG22 ILE 43 HG22 ILE 43 2.767 -2.546 0.022 996 HG23 ILE 43 HG23 ILE 43 1.946 -4.069 0.427 997 HD11 ILE 43 HD11 ILE 43 3.874 -0.765 1.041 998 HD12 ILE 43 HD12 ILE 43 4.123 0.076 2.574 999 HD13 ILE 43 HD13 ILE 43 2.537 0.068 1.827 1000 H ILE 44 HN ILE 44 -0.383 -1.820 -0.335 1001 HA ILE 44 HA ILE 44 -2.169 -4.149 0.049 1002 HB ILE 44 HB ILE 44 -2.504 -1.842 -1.876 1003 HG12 ILE 44 HG12 ILE 44 -2.743 -1.029 0.417 1004 HG13 ILE 44 HG11 ILE 44 -4.287 -0.997 -0.419 1005 HG21 ILE 44 HG21 ILE 44 -4.436 -4.030 -1.112 1006 HG22 ILE 44 HG22 ILE 44 -3.601 -3.857 -2.655 1007 HG23 ILE 44 HG23 ILE 44 -4.809 -2.665 -2.168 1008 HD11 ILE 44 HD11 ILE 44 -3.388 -3.039 1.597 1009 HD12 ILE 44 HD12 ILE 44 -4.946 -3.029 0.765 1010 HD13 ILE 44 HD13 ILE 44 -4.528 -1.722 1.874 1011 H GLU 45 HN GLU 45 -1.224 -5.832 -0.912 1012 HA GLU 45 HA GLU 45 -0.188 -5.443 -3.630 1013 HB2 GLU 45 HB2 GLU 45 1.687 -5.773 -2.189 1014 HB3 GLU 45 HB1 GLU 45 0.944 -7.153 -1.392 1015 HG2 GLU 45 HG2 GLU 45 1.154 -8.362 -3.578 1016 HG3 GLU 45 HG1 GLU 45 2.032 -6.962 -4.201 1017 HA PRO 46 HA PRO 46 -3.523 -8.280 -4.416 1018 HB2 PRO 46 HB2 PRO 46 -2.651 -8.708 -7.058 1019 HB3 PRO 46 HB1 PRO 46 -3.890 -7.583 -6.507 1020 HG2 PRO 46 HG2 PRO 46 -1.121 -7.219 -7.150 1021 HG3 PRO 46 HG1 PRO 46 -2.504 -6.088 -7.272 1022 HD2 PRO 46 HD2 PRO 46 -0.547 -5.927 -5.305 1023 HD3 PRO 46 HD1 PRO 46 -2.235 -5.394 -4.982 1024 H VAL 47 HN VAL 47 -3.633 -10.435 -4.885 1025 HA VAL 47 HA VAL 47 -1.126 -11.847 -4.340 1026 HB VAL 47 HB VAL 47 -3.877 -13.131 -4.289 1027 HG11 VAL 47 HG11 VAL 47 -1.238 -13.957 -3.185 1028 HG12 VAL 47 HG12 VAL 47 -2.020 -14.685 -4.613 1029 HG13 VAL 47 HG13 VAL 47 -2.738 -14.855 -2.991 1030 HG21 VAL 47 HG21 VAL 47 -2.243 -11.992 -2.052 1031 HG22 VAL 47 HG22 VAL 47 -3.554 -13.136 -1.816 1032 HG23 VAL 47 HG23 VAL 47 -3.901 -11.558 -2.526 1033 H ARG 48 HN ARG 48 -0.103 -12.576 -5.946 1034 HA ARG 48 HA ARG 48 -1.494 -12.765 -8.438 1035 HB2 ARG 48 HB2 ARG 48 0.672 -12.923 -9.501 1036 HB3 ARG 48 HB1 ARG 48 0.531 -11.495 -8.495 1037 HG2 ARG 48 HG2 ARG 48 1.910 -12.501 -6.807 1038 HG3 ARG 48 HG1 ARG 48 1.958 -14.024 -7.708 1039 HD2 ARG 48 HD2 ARG 48 3.986 -12.797 -8.131 1040 HD3 ARG 48 HD1 ARG 48 2.953 -12.851 -9.571 1041 HE ARG 48 HE ARG 48 2.556 -10.503 -7.987 1042 HH11 ARG 48 HH11 ARG 48 4.514 -11.899 -10.609 1043 HH12 ARG 48 HH12 ARG 48 5.050 -10.407 -11.187 1044 HH21 ARG 48 HH21 ARG 48 3.276 -8.419 -8.854 1045 HH22 ARG 48 HH22 ARG 48 4.333 -8.415 -10.187 1046 H LYS 49 HN LYS 49 -2.041 -14.446 -9.398 1047 HA LYS 49 HA LYS 49 -0.857 -16.906 -8.924 1048 HB2 LYS 49 HB2 LYS 49 -3.453 -17.698 -9.111 1049 HB3 LYS 49 HB1 LYS 49 -2.536 -17.539 -7.612 1050 HG2 LYS 49 HG2 LYS 49 -4.681 -16.549 -7.327 1051 HG3 LYS 49 HG1 LYS 49 -3.448 -15.297 -7.318 1052 HD2 LYS 49 HD2 LYS 49 -4.027 -14.953 -9.784 1053 HD3 LYS 49 HD1 LYS 49 -5.453 -15.946 -9.457 1054 HE2 LYS 49 HE2 LYS 49 -5.830 -14.537 -7.502 1055 HE3 LYS 49 HE1 LYS 49 -4.639 -13.418 -8.106 1056 HZ1 LYS 49 HZ1 LYS 49 -7.106 -14.160 -9.592 1057 HZ2 LYS 49 HZ2 LYS 49 -5.921 -13.106 -10.143 1058 HZ3 LYS 49 HZ3 LYS 49 -6.845 -12.702 -8.776 1059 H GLU 50 HN GLU 50 -1.411 -18.261 -10.680 1060 HA GLU 50 HA GLU 50 -1.637 -18.827 -12.863 1061 HB2 GLU 50 HB2 GLU 50 -3.283 -16.298 -13.092 1062 HB3 GLU 50 HB1 GLU 50 -3.089 -17.460 -14.398 1063 HG2 GLU 50 HG2 GLU 50 -4.154 -19.166 -13.010 1064 HG3 GLU 50 HG1 GLU 50 -4.394 -17.976 -11.725 Start of MODEL 6 1 H1 ASN -16 HT1 ASN -16 26.352 -13.433 26.125 2 H2 ASN -16 HT2 ASN -16 26.409 -11.754 26.149 3 H3 ASN -16 HT3 ASN -16 26.663 -12.619 27.573 4 HA ASN -16 HA ASN -16 28.715 -11.761 26.664 5 HB2 ASN -16 HB2 ASN -16 28.754 -13.857 27.984 6 HB3 ASN -16 HB1 ASN -16 28.474 -14.781 26.516 7 HD21 ASN -16 HD21 ASN -16 30.192 -15.152 25.121 8 HD22 ASN -16 HD22 ASN -16 31.816 -14.752 25.490 9 H HIS -15 HN HIS -15 28.461 -10.666 24.753 10 HA HIS -15 HA HIS -15 29.455 -12.139 22.468 11 HB2 HIS -15 HB2 HIS -15 27.063 -10.273 22.448 12 HB3 HIS -15 HB1 HIS -15 28.000 -10.624 21.009 13 HD1 HIS -15 HD1 HIS -15 27.396 -12.745 19.748 14 HD2 HIS -15 HD2 HIS -15 25.582 -12.496 23.474 15 HE1 HIS -15 HE1 HIS -15 25.694 -14.590 19.816 16 H LYS -14 HN LYS -14 31.150 -11.095 21.731 17 HA LYS -14 HA LYS -14 31.849 -8.549 22.890 18 HB2 LYS -14 HB2 LYS -14 33.512 -10.399 22.383 19 HB3 LYS -14 HB1 LYS -14 33.277 -10.052 20.682 20 HG2 LYS -14 HG2 LYS -14 35.296 -8.980 21.438 21 HG3 LYS -14 HG1 LYS -14 34.090 -7.744 21.077 22 HD2 LYS -14 HD2 LYS -14 33.581 -7.501 23.437 23 HD3 LYS -14 HD1 LYS -14 34.672 -8.830 23.828 24 HE2 LYS -14 HE2 LYS -14 35.723 -6.696 24.307 25 HE3 LYS -14 HE1 LYS -14 36.561 -7.505 22.986 26 HZ1 LYS -14 HZ1 LYS -14 35.288 -6.044 21.453 27 HZ2 LYS -14 HZ2 LYS -14 36.311 -5.212 22.488 28 HZ3 LYS -14 HZ3 LYS -14 34.667 -5.233 22.795 29 H VAL -13 HN VAL -13 30.728 -9.854 19.868 30 HA VAL -13 HA VAL -13 30.209 -7.141 18.935 31 HB VAL -13 HB VAL -13 30.504 -7.905 16.587 32 HG11 VAL -13 HG11 VAL -13 32.915 -8.161 18.367 33 HG12 VAL -13 HG12 VAL -13 32.348 -6.723 17.509 34 HG13 VAL -13 HG13 VAL -13 32.998 -8.089 16.613 35 HG21 VAL -13 HG21 VAL -13 31.770 -10.017 16.153 36 HG22 VAL -13 HG22 VAL -13 30.147 -10.271 16.780 37 HG23 VAL -13 HG23 VAL -13 31.535 -10.455 17.848 38 H HIS -12 HN HIS -12 28.213 -6.815 18.070 39 HA HIS -12 HA HIS -12 26.412 -9.108 18.301 40 HB2 HIS -12 HB2 HIS -12 25.820 -6.169 18.636 41 HB3 HIS -12 HB1 HIS -12 24.593 -7.421 18.580 42 HD1 HIS -12 HD1 HIS -12 26.865 -5.710 20.893 43 HD2 HIS -12 HD2 HIS -12 24.746 -9.273 20.771 44 HE1 HIS -12 HE1 HIS -12 26.771 -6.550 23.260 45 H HIS -11 HN HIS -11 25.315 -9.736 16.630 46 HA HIS -11 HA HIS -11 25.373 -8.083 14.193 47 HB2 HIS -11 HB2 HIS -11 26.599 -10.298 14.144 48 HB3 HIS -11 HB1 HIS -11 25.069 -11.103 14.446 49 HD1 HIS -11 HD1 HIS -11 23.921 -11.895 12.347 50 HD2 HIS -11 HD2 HIS -11 26.520 -8.738 11.643 51 HE1 HIS -11 HE1 HIS -11 23.981 -11.587 9.849 52 H HIS -10 HN HIS -10 23.566 -8.426 16.662 53 HA HIS -10 HA HIS -10 21.078 -9.310 15.413 54 HB2 HIS -10 HB2 HIS -10 21.514 -8.575 18.323 55 HB3 HIS -10 HB1 HIS -10 20.167 -9.474 17.639 56 HD1 HIS -10 HD1 HIS -10 22.660 -10.277 19.834 57 HD2 HIS -10 HD2 HIS -10 21.716 -11.814 16.088 58 HE1 HIS -10 HE1 HIS -10 23.755 -12.528 19.704 59 H HIS -9 HN HIS -9 20.646 -7.578 14.173 60 HA HIS -9 HA HIS -9 20.261 -5.026 15.570 61 HB2 HIS -9 HB2 HIS -9 22.154 -4.954 14.011 62 HB3 HIS -9 HB1 HIS -9 21.098 -5.457 12.704 63 HD1 HIS -9 HD1 HIS -9 19.878 -3.603 11.460 64 HD2 HIS -9 HD2 HIS -9 21.590 -2.332 15.028 65 HE1 HIS -9 HE1 HIS -9 19.600 -1.098 11.526 66 H HIS -8 HN HIS -8 18.948 -7.338 13.325 67 HA HIS -8 HA HIS -8 16.955 -7.673 12.413 68 HB2 HIS -8 HB2 HIS -8 15.964 -5.563 14.357 69 HB3 HIS -8 HB1 HIS -8 14.906 -6.441 13.267 70 HD1 HIS -8 HD1 HIS -8 14.015 -8.649 14.128 71 HD2 HIS -8 HD2 HIS -8 17.270 -7.264 16.315 72 HE1 HIS -8 HE1 HIS -8 14.187 -10.131 16.145 73 H HIS -7 HN HIS -7 17.189 -7.170 10.397 74 HA HIS -7 HA HIS -7 17.303 -4.414 9.498 75 HB2 HIS -7 HB2 HIS -7 18.776 -6.069 8.429 76 HB3 HIS -7 HB1 HIS -7 17.387 -7.032 7.963 77 HD1 HIS -7 HD1 HIS -7 19.456 -4.128 6.858 78 HD2 HIS -7 HD2 HIS -7 15.884 -5.976 5.803 79 HE1 HIS -7 HE1 HIS -7 18.852 -3.251 4.582 80 H MET -6 HN MET -6 15.101 -7.118 9.474 81 HA MET -6 HA MET -6 13.060 -5.394 8.256 82 HB2 MET -6 HB2 MET -6 13.815 -7.139 6.688 83 HB3 MET -6 HB1 MET -6 13.443 -8.371 7.880 84 HG2 MET -6 HG2 MET -6 11.071 -7.737 7.774 85 HG3 MET -6 HG1 MET -6 11.456 -6.546 6.534 86 HE1 MET -6 HE1 MET -6 9.237 -8.641 6.195 87 HE2 MET -6 HE2 MET -6 9.537 -9.388 4.637 88 HE3 MET -6 HE3 MET -6 9.660 -7.639 4.802 89 H SER -5 HN SER -5 11.090 -5.413 9.257 90 HA SER -5 HA SER -5 10.897 -6.620 11.848 91 HB2 SER -5 HB2 SER -5 8.776 -5.215 10.202 92 HB3 SER -5 HB1 SER -5 8.789 -5.445 11.952 93 HG SER -5 HG SER -5 10.686 -4.137 12.011 94 H ASP -4 HN ASP -4 10.850 -8.849 11.618 95 HA ASP -4 HA ASP -4 9.459 -10.158 9.505 96 HB2 ASP -4 HB2 ASP -4 10.757 -11.285 11.973 97 HB3 ASP -4 HB1 ASP -4 9.943 -12.277 10.778 98 H ASP -3 HN ASP -3 8.867 -9.962 12.864 99 HA ASP -3 HA ASP -3 6.492 -11.613 12.687 100 HB2 ASP -3 HB2 ASP -3 7.845 -11.699 14.720 101 HB3 ASP -3 HB1 ASP -3 7.487 -10.005 15.042 102 H ASP -2 HN ASP -2 7.119 -8.236 12.561 103 HA ASP -2 HA ASP -2 4.689 -7.272 13.442 104 HB2 ASP -2 HB2 ASP -2 6.721 -6.121 11.550 105 HB3 ASP -2 HB1 ASP -2 5.370 -5.226 12.232 106 H ASP -1 HN ASP -1 5.668 -8.582 10.400 107 HA ASP -1 HA ASP -1 3.058 -7.942 9.217 108 HB2 ASP -1 HB2 ASP -1 5.090 -7.532 7.823 109 HB3 ASP -1 HB1 ASP -1 5.501 -9.238 7.969 110 H LYS 0 HN LYS 0 1.535 -9.528 9.207 111 HA LYS 0 HA LYS 0 2.468 -12.231 9.831 112 HB2 LYS 0 HB2 LYS 0 0.152 -10.758 11.049 113 HB3 LYS 0 HB1 LYS 0 0.303 -12.508 11.124 114 HG2 LYS 0 HG2 LYS 0 2.489 -12.242 12.210 115 HG3 LYS 0 HG1 LYS 0 2.255 -10.499 12.216 116 HD2 LYS 0 HD2 LYS 0 0.317 -10.698 13.620 117 HD3 LYS 0 HD1 LYS 0 0.378 -12.459 13.523 118 HE2 LYS 0 HE2 LYS 0 1.282 -11.694 15.649 119 HE3 LYS 0 HE1 LYS 0 2.540 -12.451 14.675 120 HZ1 LYS 0 HZ1 LYS 0 2.141 -9.520 15.076 121 HZ2 LYS 0 HZ2 LYS 0 3.280 -10.206 14.045 122 HZ3 LYS 0 HZ3 LYS 0 3.415 -10.466 15.671 123 H GLY 1 HN GLY 1 1.705 -10.971 7.273 124 HA2 GLY 1 HA2 GLY 1 0.788 -11.759 5.323 125 HA3 GLY 1 HA1 GLY 1 0.489 -13.269 6.167 126 H ILE 2 HN ILE 2 -0.774 -9.981 6.030 127 HA ILE 2 HA ILE 2 -3.439 -10.854 6.678 128 HB ILE 2 HB ILE 2 -2.411 -8.152 5.732 129 HG12 ILE 2 HG12 ILE 2 -3.059 -9.090 8.538 130 HG13 ILE 2 HG11 ILE 2 -1.436 -8.897 7.892 131 HG21 ILE 2 HG21 ILE 2 -4.525 -7.247 6.602 132 HG22 ILE 2 HG22 ILE 2 -5.042 -8.875 7.028 133 HG23 ILE 2 HG23 ILE 2 -4.824 -8.439 5.332 134 HD11 ILE 2 HD11 ILE 2 -2.045 -7.018 9.300 135 HD12 ILE 2 HD12 ILE 2 -3.460 -6.702 8.298 136 HD13 ILE 2 HD13 ILE 2 -1.843 -6.493 7.629 137 H HIS 3 HN HIS 3 -4.974 -11.408 5.205 138 HA HIS 3 HA HIS 3 -4.605 -10.583 2.477 139 HB2 HIS 3 HB2 HIS 3 -4.907 -12.787 1.467 140 HB3 HIS 3 HB1 HIS 3 -3.502 -12.809 2.512 141 HD1 HIS 3 HD1 HIS 3 -6.309 -14.872 1.604 142 HD2 HIS 3 HD2 HIS 3 -4.279 -14.085 5.174 143 HE1 HIS 3 HE1 HIS 3 -6.883 -16.716 3.171 144 H SER 4 HN SER 4 -6.287 -9.944 1.600 145 HA SER 4 HA SER 4 -8.928 -10.606 2.653 146 HB2 SER 4 HB2 SER 4 -7.717 -7.874 2.283 147 HB3 SER 4 HB1 SER 4 -9.443 -8.084 2.408 148 HG SER 4 HG SER 4 -8.340 -9.407 4.397 149 H SER 5 HN SER 5 -10.229 -8.699 0.869 150 HA SER 5 HA SER 5 -9.262 -9.362 -1.724 151 HB2 SER 5 HB2 SER 5 -11.549 -10.348 -2.322 152 HB3 SER 5 HB1 SER 5 -10.466 -11.370 -1.377 153 HG SER 5 HG SER 5 -11.717 -11.214 0.286 154 H VAL 6 HN VAL 6 -10.348 -8.214 -3.348 155 HA VAL 6 HA VAL 6 -11.313 -5.614 -2.506 156 HB VAL 6 HB VAL 6 -11.010 -6.789 -5.282 157 HG11 VAL 6 HG11 VAL 6 -12.554 -4.916 -5.232 158 HG12 VAL 6 HG12 VAL 6 -11.055 -4.472 -6.050 159 HG13 VAL 6 HG13 VAL 6 -11.358 -3.923 -4.398 160 HG21 VAL 6 HG21 VAL 6 -9.210 -5.046 -3.667 161 HG22 VAL 6 HG22 VAL 6 -8.959 -5.468 -5.374 162 HG23 VAL 6 HG23 VAL 6 -8.933 -6.731 -4.123 163 H LYS 7 HN LYS 7 -13.464 -5.168 -2.243 164 HA LYS 7 HA LYS 7 -15.292 -7.082 -3.478 165 HB2 LYS 7 HB2 LYS 7 -15.571 -5.395 -0.988 166 HB3 LYS 7 HB1 LYS 7 -16.805 -6.520 -1.637 167 HG2 LYS 7 HG2 LYS 7 -14.082 -7.302 -0.654 168 HG3 LYS 7 HG1 LYS 7 -15.528 -7.280 0.355 169 HD2 LYS 7 HD2 LYS 7 -16.584 -8.866 -1.219 170 HD3 LYS 7 HD1 LYS 7 -15.069 -8.933 -2.118 171 HE2 LYS 7 HE2 LYS 7 -13.896 -9.814 -0.225 172 HE3 LYS 7 HE1 LYS 7 -15.306 -9.600 0.809 173 HZ1 LYS 7 HZ1 LYS 7 -15.259 -11.416 -1.551 174 HZ2 LYS 7 HZ2 LYS 7 -16.443 -11.293 -0.371 175 HZ3 LYS 7 HZ3 LYS 7 -14.930 -11.898 0.027 176 H ARG 8 HN ARG 8 -17.478 -5.915 -3.936 177 HA ARG 8 HA ARG 8 -16.755 -3.414 -5.301 178 HB2 ARG 8 HB2 ARG 8 -17.589 -5.187 -6.730 179 HB3 ARG 8 HB1 ARG 8 -19.124 -5.165 -5.842 180 HG2 ARG 8 HG2 ARG 8 -19.402 -2.812 -6.517 181 HG3 ARG 8 HG1 ARG 8 -17.909 -2.939 -7.454 182 HD2 ARG 8 HD2 ARG 8 -20.154 -4.765 -7.703 183 HD3 ARG 8 HD1 ARG 8 -20.115 -3.293 -8.706 184 HE ARG 8 HE ARG 8 -17.904 -4.293 -9.486 185 HH11 ARG 8 HH11 ARG 8 -20.602 -6.350 -8.433 186 HH12 ARG 8 HH12 ARG 8 -20.272 -7.612 -9.518 187 HH21 ARG 8 HH21 ARG 8 -17.458 -6.090 -11.058 188 HH22 ARG 8 HH22 ARG 8 -18.467 -7.459 -11.005 189 H TRP 9 HN TRP 9 -17.350 -1.630 -4.479 190 HA TRP 9 HA TRP 9 -19.712 -1.487 -2.747 191 HB2 TRP 9 HB2 TRP 9 -17.474 -0.768 -1.806 192 HB3 TRP 9 HB1 TRP 9 -17.396 0.430 -3.070 193 HD1 TRP 9 HD1 TRP 9 -20.840 0.318 -1.688 194 HE1 TRP 9 HE1 TRP 9 -21.195 2.164 -0.031 195 HE3 TRP 9 HE3 TRP 9 -15.926 1.960 -1.003 196 HZ2 TRP 9 HZ2 TRP 9 -19.775 4.092 1.307 197 HZ3 TRP 9 HZ3 TRP 9 -15.607 3.766 0.447 198 HH2 TRP 9 HH2 TRP 9 -17.551 4.835 1.647 199 H GLY 10 HN GLY 10 -21.256 -1.358 -4.315 200 HA2 GLY 10 HA2 GLY 10 -22.665 -0.191 -5.674 201 HA3 GLY 10 HA1 GLY 10 -21.544 1.171 -5.634 202 H ASN 11 HN ASN 11 -20.599 1.583 -7.463 203 HA ASN 11 HA ASN 11 -20.123 -0.626 -9.356 204 HB2 ASN 11 HB2 ASN 11 -19.848 1.105 -11.068 205 HB3 ASN 11 HB1 ASN 11 -21.393 1.276 -10.247 206 HD21 ASN 11 HD21 ASN 11 -21.757 3.069 -8.955 207 HD22 ASN 11 HD22 ASN 11 -20.726 4.453 -8.996 208 H SER 12 HN SER 12 -18.223 0.176 -6.900 209 HA SER 12 HA SER 12 -15.939 0.607 -8.553 210 HB2 SER 12 HB2 SER 12 -16.692 2.251 -6.137 211 HB3 SER 12 HB1 SER 12 -15.124 2.322 -6.957 212 HG SER 12 HG SER 12 -17.088 2.587 -8.759 213 HA PRO 13 HA PRO 13 -14.346 -2.581 -5.900 214 HB2 PRO 13 HB2 PRO 13 -11.693 -2.098 -6.429 215 HB3 PRO 13 HB1 PRO 13 -12.759 -3.011 -7.499 216 HG2 PRO 13 HG2 PRO 13 -11.873 -0.170 -7.681 217 HG3 PRO 13 HG1 PRO 13 -12.115 -1.360 -8.971 218 HD2 PRO 13 HD2 PRO 13 -13.925 0.595 -8.402 219 HD3 PRO 13 HD1 PRO 13 -14.403 -0.980 -9.050 220 H ALA 14 HN ALA 14 -14.121 -2.464 -3.754 221 HA ALA 14 HA ALA 14 -12.489 -0.341 -2.618 222 HB1 ALA 14 HB1 ALA 14 -14.139 0.039 -0.869 223 HB2 ALA 14 HB2 ALA 14 -15.218 -1.137 -1.616 224 HB3 ALA 14 HB3 ALA 14 -14.832 0.364 -2.459 225 H VAL 15 HN VAL 15 -11.379 -0.943 -0.854 226 HA VAL 15 HA VAL 15 -11.595 -3.758 -0.043 227 HB VAL 15 HB VAL 15 -9.150 -1.927 0.057 228 HG11 VAL 15 HG11 VAL 15 -9.157 -3.459 1.974 229 HG12 VAL 15 HG12 VAL 15 -7.894 -3.898 0.825 230 HG13 VAL 15 HG13 VAL 15 -9.393 -4.827 0.887 231 HG21 VAL 15 HG21 VAL 15 -8.187 -3.464 -1.574 232 HG22 VAL 15 HG22 VAL 15 -9.687 -2.761 -2.193 233 HG23 VAL 15 HG23 VAL 15 -9.674 -4.408 -1.569 234 H ARG 16 HN ARG 16 -11.795 -4.210 2.085 235 HA ARG 16 HA ARG 16 -12.693 -2.110 3.822 236 HB2 ARG 16 HB2 ARG 16 -12.413 -5.082 4.110 237 HB3 ARG 16 HB1 ARG 16 -12.975 -4.055 5.431 238 HG2 ARG 16 HG2 ARG 16 -14.873 -3.384 4.036 239 HG3 ARG 16 HG1 ARG 16 -14.279 -4.421 2.737 240 HD2 ARG 16 HD2 ARG 16 -14.484 -6.349 4.118 241 HD3 ARG 16 HD1 ARG 16 -14.976 -5.381 5.501 242 HE ARG 16 HE ARG 16 -16.861 -4.749 3.740 243 HH11 ARG 16 HH11 ARG 16 -15.611 -8.018 4.541 244 HH12 ARG 16 HH12 ARG 16 -17.138 -8.746 4.407 245 HH21 ARG 16 HH21 ARG 16 -18.946 -5.881 3.514 246 HH22 ARG 16 HH22 ARG 16 -19.014 -7.547 3.824 247 H ILE 17 HN ILE 17 -11.394 -1.072 5.250 248 HA ILE 17 HA ILE 17 -8.749 -2.172 5.721 249 HB ILE 17 HB ILE 17 -9.852 0.634 5.975 250 HG12 ILE 17 HG12 ILE 17 -7.702 1.186 4.740 251 HG13 ILE 17 HG11 ILE 17 -7.500 -0.546 4.533 252 HG21 ILE 17 HG21 ILE 17 -7.271 -0.263 7.178 253 HG22 ILE 17 HG22 ILE 17 -8.693 0.371 8.038 254 HG23 ILE 17 HG23 ILE 17 -7.783 1.408 6.909 255 HD11 ILE 17 HD11 ILE 17 -9.790 1.083 3.635 256 HD12 ILE 17 HD12 ILE 17 -9.553 -0.655 3.330 257 HD13 ILE 17 HD13 ILE 17 -8.457 0.547 2.604 258 HA PRO 18 HA PRO 18 -9.996 -3.601 9.742 259 HB2 PRO 18 HB2 PRO 18 -7.442 -3.722 10.827 260 HB3 PRO 18 HB1 PRO 18 -8.171 -4.994 9.852 261 HG2 PRO 18 HG2 PRO 18 -6.253 -2.856 9.046 262 HG3 PRO 18 HG1 PRO 18 -6.322 -4.550 8.531 263 HD2 PRO 18 HD2 PRO 18 -7.194 -2.547 6.979 264 HD3 PRO 18 HD1 PRO 18 -7.994 -4.129 6.972 265 H ALA 19 HN ALA 19 -10.642 -2.543 11.479 266 HA ALA 19 HA ALA 19 -10.335 0.213 11.814 267 HB1 ALA 19 HB1 ALA 19 -12.266 -1.010 12.705 268 HB2 ALA 19 HB2 ALA 19 -11.452 -0.082 13.977 269 HB3 ALA 19 HB3 ALA 19 -11.211 -1.817 13.866 270 H THR 20 HN THR 20 -8.534 -2.465 13.098 271 HA THR 20 HA THR 20 -7.185 -1.379 15.207 272 HB THR 20 HB THR 20 -5.979 -3.188 13.119 273 HG1 THR 20 HG1 THR 20 -7.661 -3.887 15.301 274 HG21 THR 20 HG21 THR 20 -4.504 -2.492 14.999 275 HG22 THR 20 HG22 THR 20 -4.890 -4.214 15.056 276 HG23 THR 20 HG23 THR 20 -5.707 -3.095 16.139 277 H LEU 21 HN LEU 21 -6.471 -1.037 11.724 278 HA LEU 21 HA LEU 21 -4.016 0.410 12.185 279 HB2 LEU 21 HB2 LEU 21 -5.550 -0.428 9.781 280 HB3 LEU 21 HB1 LEU 21 -4.378 0.861 9.624 281 HG LEU 21 HG LEU 21 -3.658 -1.387 9.014 282 HD11 LEU 21 HD11 LEU 21 -2.014 0.372 9.546 283 HD12 LEU 21 HD12 LEU 21 -1.415 -1.165 10.171 284 HD13 LEU 21 HD13 LEU 21 -2.154 0.002 11.264 285 HD21 LEU 21 HD21 LEU 21 -2.920 -2.919 10.858 286 HD22 LEU 21 HD22 LEU 21 -4.678 -2.700 10.739 287 HD23 LEU 21 HD23 LEU 21 -3.760 -1.812 11.959 288 H MET 22 HN MET 22 -7.210 1.069 11.309 289 HA MET 22 HA MET 22 -7.220 3.815 10.824 290 HB2 MET 22 HB2 MET 22 -9.174 2.174 12.427 291 HB3 MET 22 HB1 MET 22 -9.490 3.822 11.940 292 HG2 MET 22 HG2 MET 22 -8.945 1.573 10.016 293 HG3 MET 22 HG1 MET 22 -10.556 2.037 10.561 294 HE1 MET 22 HE1 MET 22 -10.933 5.635 9.224 295 HE2 MET 22 HE2 MET 22 -10.267 5.160 10.789 296 HE3 MET 22 HE3 MET 22 -11.662 4.306 10.139 297 H GLN 23 HN GLN 23 -7.370 2.121 13.798 298 HA GLN 23 HA GLN 23 -7.162 4.397 15.543 299 HB2 GLN 23 HB2 GLN 23 -6.732 1.510 16.109 300 HB3 GLN 23 HB1 GLN 23 -7.013 2.820 17.259 301 HG2 GLN 23 HG2 GLN 23 -9.157 3.196 16.309 302 HG3 GLN 23 HG1 GLN 23 -8.909 1.955 15.105 303 HE21 GLN 23 HE21 GLN 23 -9.759 2.525 18.365 304 HE22 GLN 23 HE22 GLN 23 -10.105 0.885 18.785 305 H ALA 24 HN ALA 24 -4.874 2.425 13.893 306 HA ALA 24 HA ALA 24 -2.845 2.644 15.939 307 HB1 ALA 24 HB1 ALA 24 -1.347 1.573 14.331 308 HB2 ALA 24 HB2 ALA 24 -2.550 1.780 13.060 309 HB3 ALA 24 HB3 ALA 24 -2.882 0.706 14.419 310 H LEU 25 HN LEU 25 -3.635 4.106 12.961 311 HA LEU 25 HA LEU 25 -1.393 5.970 13.068 312 HB2 LEU 25 HB2 LEU 25 -3.582 5.378 11.131 313 HB3 LEU 25 HB1 LEU 25 -2.487 6.723 10.939 314 HG LEU 25 HG LEU 25 -2.121 4.868 9.610 315 HD11 LEU 25 HD11 LEU 25 -0.177 6.360 10.114 316 HD12 LEU 25 HD12 LEU 25 0.457 4.715 10.004 317 HD13 LEU 25 HD13 LEU 25 0.154 5.438 11.574 318 HD21 LEU 25 HD21 LEU 25 -2.603 2.952 10.898 319 HD22 LEU 25 HD22 LEU 25 -1.297 3.301 12.036 320 HD23 LEU 25 HD23 LEU 25 -0.924 2.813 10.379 321 H ASN 26 HN ASN 26 -4.604 5.637 13.727 322 HA ASN 26 HA ASN 26 -6.189 6.827 14.768 323 HB2 ASN 26 HB2 ASN 26 -4.009 8.850 15.298 324 HB3 ASN 26 HB1 ASN 26 -5.654 9.024 15.899 325 HD21 ASN 26 HD21 ASN 26 -2.635 7.409 16.228 326 HD22 ASN 26 HD22 ASN 26 -3.012 6.573 17.687 327 H LEU 27 HN LEU 27 -6.965 6.787 12.556 328 HA LEU 27 HA LEU 27 -7.519 9.504 11.724 329 HB2 LEU 27 HB2 LEU 27 -7.697 8.739 9.535 330 HB3 LEU 27 HB1 LEU 27 -6.089 8.313 10.099 331 HG LEU 27 HG LEU 27 -8.043 6.178 10.429 332 HD11 LEU 27 HD11 LEU 27 -8.174 5.660 8.003 333 HD12 LEU 27 HD12 LEU 27 -7.590 7.311 7.666 334 HD13 LEU 27 HD13 LEU 27 -9.078 7.057 8.542 335 HD21 LEU 27 HD21 LEU 27 -6.273 4.891 9.264 336 HD22 LEU 27 HD22 LEU 27 -5.674 5.799 10.652 337 HD23 LEU 27 HD23 LEU 27 -5.382 6.395 9.021 338 H ASN 28 HN ASN 28 -9.630 9.321 10.361 339 HA ASN 28 HA ASN 28 -11.427 7.296 11.351 340 HB2 ASN 28 HB2 ASN 28 -13.174 9.012 11.880 341 HB3 ASN 28 HB1 ASN 28 -11.857 9.000 13.020 342 HD21 ASN 28 HD21 ASN 28 -10.470 10.790 13.064 343 HD22 ASN 28 HD22 ASN 28 -10.895 12.270 12.282 344 H ILE 29 HN ILE 29 -13.744 8.281 10.359 345 HA ILE 29 HA ILE 29 -13.422 7.723 7.621 346 HB ILE 29 HB ILE 29 -15.707 8.559 9.338 347 HG12 ILE 29 HG12 ILE 29 -14.904 6.349 9.806 348 HG13 ILE 29 HG11 ILE 29 -16.461 6.210 9.003 349 HG21 ILE 29 HG21 ILE 29 -16.192 9.341 7.045 350 HG22 ILE 29 HG22 ILE 29 -17.271 8.032 7.491 351 HG23 ILE 29 HG23 ILE 29 -15.897 7.718 6.418 352 HD11 ILE 29 HD11 ILE 29 -15.258 5.677 6.899 353 HD12 ILE 29 HD12 ILE 29 -14.965 4.526 8.195 354 HD13 ILE 29 HD13 ILE 29 -13.734 5.721 7.795 355 H ASP 30 HN ASP 30 -13.543 8.924 5.870 356 HA ASP 30 HA ASP 30 -13.542 10.563 4.418 357 HB2 ASP 30 HB2 ASP 30 -15.601 11.412 5.714 358 HB3 ASP 30 HB1 ASP 30 -14.509 12.530 6.516 359 H ASP 31 HN ASP 31 -11.363 9.936 6.343 360 HA ASP 31 HA ASP 31 -9.968 12.458 6.470 361 HB2 ASP 31 HB2 ASP 31 -9.980 10.745 8.364 362 HB3 ASP 31 HB1 ASP 31 -8.961 9.737 7.342 363 H GLU 32 HN GLU 32 -8.345 12.906 5.214 364 HA GLU 32 HA GLU 32 -8.234 11.695 2.662 365 HB2 GLU 32 HB2 GLU 32 -8.085 14.037 2.816 366 HB3 GLU 32 HB1 GLU 32 -6.790 13.988 3.973 367 HG2 GLU 32 HG2 GLU 32 -5.328 13.060 2.239 368 HG3 GLU 32 HG1 GLU 32 -6.658 13.178 1.081 369 H VAL 33 HN VAL 33 -6.648 10.489 1.732 370 HA VAL 33 HA VAL 33 -4.333 9.798 3.350 371 HB VAL 33 HB VAL 33 -4.507 7.457 3.130 372 HG11 VAL 33 HG11 VAL 33 -6.618 6.820 4.038 373 HG12 VAL 33 HG12 VAL 33 -7.311 8.289 3.363 374 HG13 VAL 33 HG13 VAL 33 -6.122 8.418 4.691 375 HG21 VAL 33 HG21 VAL 33 -5.101 7.360 0.763 376 HG22 VAL 33 HG22 VAL 33 -6.771 7.792 1.193 377 HG23 VAL 33 HG23 VAL 33 -6.086 6.262 1.738 378 H LYS 34 HN LYS 34 -2.618 9.079 2.335 379 HA LYS 34 HA LYS 34 -2.405 9.973 -0.454 380 HB2 LYS 34 HB2 LYS 34 -0.259 9.116 1.482 381 HB3 LYS 34 HB1 LYS 34 0.027 9.717 -0.142 382 HG2 LYS 34 HG2 LYS 34 -0.918 11.874 0.515 383 HG3 LYS 34 HG1 LYS 34 -1.189 11.247 2.133 384 HD2 LYS 34 HD2 LYS 34 1.504 11.567 0.782 385 HD3 LYS 34 HD1 LYS 34 0.850 12.618 2.033 386 HE2 LYS 34 HE2 LYS 34 2.248 11.261 3.270 387 HE3 LYS 34 HE1 LYS 34 0.725 10.402 3.426 388 HZ1 LYS 34 HZ1 LYS 34 2.973 9.723 1.610 389 HZ2 LYS 34 HZ2 LYS 34 1.557 8.887 1.547 390 HZ3 LYS 34 HZ3 LYS 34 2.509 8.859 2.959 391 H ILE 35 HN ILE 35 -2.182 8.600 -2.036 392 HA ILE 35 HA ILE 35 -1.638 5.806 -1.401 393 HB ILE 35 HB ILE 35 -3.025 6.972 -3.861 394 HG12 ILE 35 HG12 ILE 35 -4.916 5.400 -3.156 395 HG13 ILE 35 HG11 ILE 35 -4.088 5.252 -1.618 396 HG21 ILE 35 HG21 ILE 35 -3.230 4.736 -4.727 397 HG22 ILE 35 HG22 ILE 35 -2.458 4.076 -3.295 398 HG23 ILE 35 HG23 ILE 35 -1.529 5.079 -4.402 399 HD11 ILE 35 HD11 ILE 35 -4.321 7.691 -1.315 400 HD12 ILE 35 HD12 ILE 35 -5.835 6.808 -1.396 401 HD13 ILE 35 HD13 ILE 35 -5.284 7.741 -2.798 402 H ASP 36 HN ASP 36 0.455 5.630 -1.579 403 HA ASP 36 HA ASP 36 1.796 7.149 -3.679 404 HB2 ASP 36 HB2 ASP 36 3.012 5.733 -1.252 405 HB3 ASP 36 HB1 ASP 36 3.926 6.571 -2.492 406 H LEU 37 HN LEU 37 2.545 6.125 -5.475 407 HA LEU 37 HA LEU 37 1.857 3.389 -5.557 408 HB2 LEU 37 HB2 LEU 37 0.814 5.194 -7.014 409 HB3 LEU 37 HB1 LEU 37 2.433 5.379 -7.666 410 HG LEU 37 HG LEU 37 0.727 4.085 -9.040 411 HD11 LEU 37 HD11 LEU 37 3.366 2.842 -8.426 412 HD12 LEU 37 HD12 LEU 37 3.115 4.238 -9.447 413 HD13 LEU 37 HD13 LEU 37 2.457 2.664 -9.946 414 HD21 LEU 37 HD21 LEU 37 1.528 1.905 -7.139 415 HD22 LEU 37 HD22 LEU 37 0.421 1.768 -8.516 416 HD23 LEU 37 HD23 LEU 37 -0.003 2.760 -7.104 417 H VAL 38 HN VAL 38 3.328 2.012 -5.934 418 HA VAL 38 HA VAL 38 6.035 2.708 -6.846 419 HB VAL 38 HB VAL 38 5.641 1.001 -4.361 420 HG11 VAL 38 HG11 VAL 38 8.159 2.064 -5.606 421 HG12 VAL 38 HG12 VAL 38 7.591 0.395 -5.631 422 HG13 VAL 38 HG13 VAL 38 8.064 1.142 -4.104 423 HG21 VAL 38 HG21 VAL 38 6.657 3.847 -4.480 424 HG22 VAL 38 HG22 VAL 38 6.661 2.818 -3.044 425 HG23 VAL 38 HG23 VAL 38 5.132 3.314 -3.773 426 H ASP 39 HN ASP 39 6.102 1.359 -8.654 427 HA ASP 39 HA ASP 39 6.278 -0.525 -9.906 428 HB2 ASP 39 HB2 ASP 39 6.417 -1.867 -7.204 429 HB3 ASP 39 HB1 ASP 39 6.513 -2.767 -8.709 430 H GLY 40 HN GLY 40 3.707 0.473 -9.017 431 HA2 GLY 40 HA2 GLY 40 1.516 -0.074 -9.692 432 HA3 GLY 40 HA1 GLY 40 2.077 -1.704 -10.041 433 H LYS 41 HN LYS 41 3.189 -1.034 -7.021 434 HA LYS 41 HA LYS 41 1.132 -2.595 -5.741 435 HB2 LYS 41 HB2 LYS 41 3.606 -2.934 -5.521 436 HB3 LYS 41 HB1 LYS 41 3.694 -1.351 -4.770 437 HG2 LYS 41 HG2 LYS 41 2.130 -2.320 -3.000 438 HG3 LYS 41 HG1 LYS 41 2.548 -3.895 -3.696 439 HD2 LYS 41 HD2 LYS 41 4.513 -1.844 -2.752 440 HD3 LYS 41 HD1 LYS 41 4.031 -3.242 -1.777 441 HE2 LYS 41 HE2 LYS 41 5.449 -3.311 -4.464 442 HE3 LYS 41 HE1 LYS 41 6.243 -3.475 -2.907 443 HZ1 LYS 41 HZ1 LYS 41 4.275 -5.401 -4.078 444 HZ2 LYS 41 HZ2 LYS 41 4.971 -5.530 -2.542 445 HZ3 LYS 41 HZ3 LYS 41 5.924 -5.585 -3.918 446 H LEU 42 HN LEU 42 -0.289 -1.634 -4.351 447 HA LEU 42 HA LEU 42 -0.333 1.267 -4.352 448 HB2 LEU 42 HB2 LEU 42 -2.412 -0.789 -3.709 449 HB3 LEU 42 HB1 LEU 42 -2.656 0.914 -3.366 450 HG LEU 42 HG LEU 42 -1.929 0.018 -6.094 451 HD11 LEU 42 HD11 LEU 42 -4.729 0.108 -4.885 452 HD12 LEU 42 HD12 LEU 42 -3.895 -1.358 -5.407 453 HD13 LEU 42 HD13 LEU 42 -4.389 -0.151 -6.596 454 HD21 LEU 42 HD21 LEU 42 -3.411 2.365 -4.935 455 HD22 LEU 42 HD22 LEU 42 -3.497 1.972 -6.623 456 HD23 LEU 42 HD23 LEU 42 -1.950 2.410 -5.935 457 H ILE 43 HN ILE 43 0.512 2.262 -2.865 458 HA ILE 43 HA ILE 43 0.586 1.128 -0.188 459 HB ILE 43 HB ILE 43 2.149 3.163 -1.617 460 HG12 ILE 43 HG12 ILE 43 4.114 2.055 -0.643 461 HG13 ILE 43 HG11 ILE 43 3.039 0.986 0.252 462 HG21 ILE 43 HG21 ILE 43 3.251 3.944 0.485 463 HG22 ILE 43 HG22 ILE 43 2.028 3.040 1.387 464 HG23 ILE 43 HG23 ILE 43 1.546 4.400 0.355 465 HD11 ILE 43 HD11 ILE 43 2.191 0.137 -1.816 466 HD12 ILE 43 HD12 ILE 43 3.943 -0.123 -1.682 467 HD13 ILE 43 HD13 ILE 43 3.301 1.154 -2.738 468 H ILE 44 HN ILE 44 -0.677 1.721 1.131 469 HA ILE 44 HA ILE 44 -2.342 4.151 0.825 470 HB ILE 44 HB ILE 44 -2.902 1.633 2.415 471 HG12 ILE 44 HG12 ILE 44 -3.116 1.216 0.019 472 HG13 ILE 44 HG11 ILE 44 -4.697 1.187 0.784 473 HG21 ILE 44 HG21 ILE 44 -4.653 4.056 2.023 474 HG22 ILE 44 HG22 ILE 44 -3.887 3.518 3.522 475 HG23 ILE 44 HG23 ILE 44 -5.157 2.543 2.784 476 HD11 ILE 44 HD11 ILE 44 -5.104 3.469 -0.056 477 HD12 ILE 44 HD12 ILE 44 -4.809 2.300 -1.344 478 HD13 ILE 44 HD13 ILE 44 -3.530 3.413 -0.863 479 H GLU 45 HN GLU 45 -1.624 5.759 2.078 480 HA GLU 45 HA GLU 45 -0.943 5.115 4.847 481 HB2 GLU 45 HB2 GLU 45 1.151 5.387 3.677 482 HB3 GLU 45 HB1 GLU 45 0.623 6.945 3.033 483 HG2 GLU 45 HG2 GLU 45 0.663 7.907 5.212 484 HG3 GLU 45 HG1 GLU 45 0.957 6.336 5.955 485 HA PRO 46 HA PRO 46 -4.217 8.231 5.489 486 HB2 PRO 46 HB2 PRO 46 -3.381 8.360 8.148 487 HB3 PRO 46 HB1 PRO 46 -4.729 7.440 7.472 488 HG2 PRO 46 HG2 PRO 46 -1.945 6.650 7.981 489 HG3 PRO 46 HG1 PRO 46 -3.472 5.754 8.307 490 HD2 PRO 46 HD2 PRO 46 -2.120 4.963 6.179 491 HD3 PRO 46 HD1 PRO 46 -3.808 5.365 5.985 492 H VAL 47 HN VAL 47 -4.110 10.322 6.185 493 HA VAL 47 HA VAL 47 -1.412 11.504 6.301 494 HB VAL 47 HB VAL 47 -3.956 13.019 5.688 495 HG11 VAL 47 HG11 VAL 47 -2.475 14.740 4.901 496 HG12 VAL 47 HG12 VAL 47 -1.104 13.667 5.207 497 HG13 VAL 47 HG13 VAL 47 -2.056 14.300 6.583 498 HG21 VAL 47 HG21 VAL 47 -3.670 11.531 3.895 499 HG22 VAL 47 HG22 VAL 47 -1.929 11.891 3.824 500 HG23 VAL 47 HG23 VAL 47 -3.102 13.114 3.330 501 H ARG 48 HN ARG 48 -0.932 11.701 8.263 502 HA ARG 48 HA ARG 48 -2.946 11.767 10.267 503 HB2 ARG 48 HB2 ARG 48 0.040 11.585 10.423 504 HB3 ARG 48 HB1 ARG 48 -0.963 11.763 11.858 505 HG2 ARG 48 HG2 ARG 48 -2.101 9.692 11.374 506 HG3 ARG 48 HG1 ARG 48 -1.232 9.537 9.849 507 HD2 ARG 48 HD2 ARG 48 0.154 9.677 12.512 508 HD3 ARG 48 HD1 ARG 48 -0.365 8.155 11.787 509 HE ARG 48 HE ARG 48 1.052 9.064 9.805 510 HH11 ARG 48 HH11 ARG 48 1.930 9.382 13.228 511 HH12 ARG 48 HH12 ARG 48 3.599 9.290 12.916 512 HH21 ARG 48 HH21 ARG 48 3.332 8.883 9.427 513 HH22 ARG 48 HH22 ARG 48 4.420 8.998 10.722 514 H LYS 49 HN LYS 49 -3.533 13.302 11.581 515 HA LYS 49 HA LYS 49 -2.739 15.963 10.868 516 HB2 LYS 49 HB2 LYS 49 -5.051 14.847 12.440 517 HB3 LYS 49 HB1 LYS 49 -4.630 16.545 12.551 518 HG2 LYS 49 HG2 LYS 49 -6.450 16.167 10.946 519 HG3 LYS 49 HG1 LYS 49 -5.021 16.824 10.159 520 HD2 LYS 49 HD2 LYS 49 -4.406 14.612 9.391 521 HD3 LYS 49 HD1 LYS 49 -5.793 13.916 10.210 522 HE2 LYS 49 HE2 LYS 49 -7.286 15.187 8.752 523 HE3 LYS 49 HE1 LYS 49 -5.900 15.961 7.984 524 HZ1 LYS 49 HZ1 LYS 49 -6.655 14.196 6.601 525 HZ2 LYS 49 HZ2 LYS 49 -6.642 13.073 7.851 526 HZ3 LYS 49 HZ3 LYS 49 -5.200 13.669 7.272 527 H GLU 50 HN GLU 50 -1.048 16.426 11.669 528 HA GLU 50 HA GLU 50 -0.676 16.396 14.563 529 HB2 GLU 50 HB2 GLU 50 0.626 14.556 13.480 530 HB3 GLU 50 HB1 GLU 50 1.444 15.767 12.509 531 HG2 GLU 50 HG2 GLU 50 2.414 16.745 14.493 532 HG3 GLU 50 HG1 GLU 50 1.523 15.607 15.504 533 H1 ASN -16 HT1 ASN -16 27.051 12.904 -25.094 534 H2 ASN -16 HT2 ASN -16 27.082 11.210 -25.145 535 H3 ASN -16 HT3 ASN -16 27.371 12.109 -26.547 536 HA ASN -16 HA ASN -16 29.366 11.202 -25.611 537 HB2 ASN -16 HB2 ASN -16 29.561 13.272 -26.911 538 HB3 ASN -16 HB1 ASN -16 29.167 14.226 -25.488 539 HD21 ASN -16 HD21 ASN -16 30.778 14.667 -23.984 540 HD22 ASN -16 HD22 ASN -16 32.430 14.285 -24.237 541 H HIS -15 HN HIS -15 29.289 10.121 -23.759 542 HA HIS -15 HA HIS -15 30.118 11.549 -21.404 543 HB2 HIS -15 HB2 HIS -15 27.763 9.624 -21.452 544 HB3 HIS -15 HB1 HIS -15 28.636 10.042 -19.994 545 HD1 HIS -15 HD1 HIS -15 27.892 12.138 -18.793 546 HD2 HIS -15 HD2 HIS -15 26.223 11.757 -22.570 547 HE1 HIS -15 HE1 HIS -15 26.079 13.887 -18.929 548 H LYS -14 HN LYS -14 31.758 10.449 -20.578 549 HA LYS -14 HA LYS -14 32.471 7.944 -21.825 550 HB2 LYS -14 HB2 LYS -14 34.144 9.774 -21.296 551 HB3 LYS -14 HB1 LYS -14 33.911 9.398 -19.595 552 HG2 LYS -14 HG2 LYS -14 35.930 8.350 -20.410 553 HG3 LYS -14 HG1 LYS -14 34.729 7.120 -20.002 554 HD2 LYS -14 HD2 LYS -14 34.175 6.800 -22.321 555 HD3 LYS -14 HD1 LYS -14 35.192 8.152 -22.802 556 HE2 LYS -14 HE2 LYS -14 36.309 6.060 -23.282 557 HE3 LYS -14 HE1 LYS -14 37.169 6.912 -22.006 558 HZ1 LYS -14 HZ1 LYS -14 35.253 4.688 -21.561 559 HZ2 LYS -14 HZ2 LYS -14 36.227 5.414 -20.376 560 HZ3 LYS -14 HZ3 LYS -14 36.917 4.533 -21.627 561 H VAL -13 HN VAL -13 31.184 9.178 -18.862 562 HA VAL -13 HA VAL -13 30.623 6.458 -18.015 563 HB VAL -13 HB VAL -13 30.812 7.170 -15.617 564 HG11 VAL -13 HG11 VAL -13 32.670 5.977 -16.741 565 HG12 VAL -13 HG12 VAL -13 33.201 7.014 -15.430 566 HG13 VAL -13 HG13 VAL -13 33.415 7.536 -17.099 567 HG21 VAL -13 HG21 VAL -13 32.216 9.618 -16.687 568 HG22 VAL -13 HG22 VAL -13 31.912 9.233 -14.988 569 HG23 VAL -13 HG23 VAL -13 30.575 9.616 -16.067 570 H HIS -12 HN HIS -12 28.629 6.231 -16.980 571 HA HIS -12 HA HIS -12 26.874 8.552 -17.307 572 HB2 HIS -12 HB2 HIS -12 26.228 5.643 -17.812 573 HB3 HIS -12 HB1 HIS -12 25.020 6.916 -17.737 574 HD1 HIS -12 HD1 HIS -12 27.269 5.235 -20.072 575 HD2 HIS -12 HD2 HIS -12 25.343 8.904 -19.830 576 HE1 HIS -12 HE1 HIS -12 27.349 6.220 -22.381 577 H HIS -11 HN HIS -11 25.791 9.159 -15.631 578 HA HIS -11 HA HIS -11 25.815 7.472 -13.219 579 HB2 HIS -11 HB2 HIS -11 26.990 9.697 -13.159 580 HB3 HIS -11 HB1 HIS -11 25.455 10.476 -13.497 581 HD1 HIS -11 HD1 HIS -11 24.350 11.355 -11.426 582 HD2 HIS -11 HD2 HIS -11 26.801 8.108 -10.642 583 HE1 HIS -11 HE1 HIS -11 24.355 11.075 -8.927 584 H HIS -10 HN HIS -10 23.987 8.052 -15.734 585 HA HIS -10 HA HIS -10 21.491 8.811 -14.453 586 HB2 HIS -10 HB2 HIS -10 21.949 8.096 -17.368 587 HB3 HIS -10 HB1 HIS -10 20.579 8.965 -16.687 588 HD1 HIS -10 HD1 HIS -10 23.177 9.771 -18.793 589 HD2 HIS -10 HD2 HIS -10 21.960 11.381 -15.157 590 HE1 HIS -10 HE1 HIS -10 24.203 12.059 -18.664 591 H HIS -9 HN HIS -9 20.921 7.127 -13.263 592 HA HIS -9 HA HIS -9 20.544 4.536 -14.650 593 HB2 HIS -9 HB2 HIS -9 22.413 4.491 -13.016 594 HB3 HIS -9 HB1 HIS -9 21.289 4.947 -11.745 595 HD1 HIS -9 HD1 HIS -9 20.197 3.009 -10.518 596 HD2 HIS -9 HD2 HIS -9 21.870 1.883 -14.149 597 HE1 HIS -9 HE1 HIS -9 20.017 0.518 -10.614 598 H HIS -8 HN HIS -8 19.327 6.843 -12.362 599 HA HIS -8 HA HIS -8 17.350 7.336 -11.470 600 HB2 HIS -8 HB2 HIS -8 16.200 5.321 -13.422 601 HB3 HIS -8 HB1 HIS -8 15.224 6.328 -12.367 602 HD1 HIS -8 HD1 HIS -8 14.648 8.670 -13.250 603 HD2 HIS -8 HD2 HIS -8 17.648 6.769 -15.426 604 HE1 HIS -8 HE1 HIS -8 15.034 10.075 -15.268 605 H HIS -7 HN HIS -7 17.602 6.789 -9.449 606 HA HIS -7 HA HIS -7 17.503 4.050 -8.584 607 HB2 HIS -7 HB2 HIS -7 18.988 5.568 -7.434 608 HB3 HIS -7 HB1 HIS -7 17.671 6.669 -7.057 609 HD1 HIS -7 HD1 HIS -7 19.376 3.584 -5.843 610 HD2 HIS -7 HD2 HIS -7 15.985 5.802 -4.945 611 HE1 HIS -7 HE1 HIS -7 18.583 2.782 -3.601 612 H MET -6 HN MET -6 15.412 6.856 -8.557 613 HA MET -6 HA MET -6 13.288 5.144 -7.529 614 HB2 MET -6 HB2 MET -6 13.943 6.756 -5.814 615 HB3 MET -6 HB1 MET -6 13.730 8.076 -6.953 616 HG2 MET -6 HG2 MET -6 11.340 7.652 -7.042 617 HG3 MET -6 HG1 MET -6 11.530 6.268 -5.970 618 HE1 MET -6 HE1 MET -6 9.581 7.297 -4.558 619 HE2 MET -6 HE2 MET -6 9.470 8.830 -5.435 620 HE3 MET -6 HE3 MET -6 9.669 8.822 -3.687 621 H SER -5 HN SER -5 11.359 5.246 -8.551 622 HA SER -5 HA SER -5 11.233 6.471 -11.121 623 HB2 SER -5 HB2 SER -5 9.124 5.038 -9.482 624 HB3 SER -5 HB1 SER -5 9.097 5.312 -11.227 625 HG SER -5 HG SER -5 10.484 3.791 -11.530 626 H ASP -4 HN ASP -4 11.126 8.683 -10.960 627 HA ASP -4 HA ASP -4 9.810 9.984 -8.761 628 HB2 ASP -4 HB2 ASP -4 11.039 11.209 -11.225 629 HB3 ASP -4 HB1 ASP -4 10.426 12.114 -9.854 630 H ASP -3 HN ASP -3 9.169 9.573 -12.075 631 HA ASP -3 HA ASP -3 6.870 11.380 -11.918 632 HB2 ASP -3 HB2 ASP -3 8.249 11.571 -13.928 633 HB3 ASP -3 HB1 ASP -3 7.921 9.884 -14.312 634 H ASP -2 HN ASP -2 7.461 7.998 -11.864 635 HA ASP -2 HA ASP -2 5.036 7.062 -12.770 636 HB2 ASP -2 HB2 ASP -2 7.071 5.976 -10.855 637 HB3 ASP -2 HB1 ASP -2 5.606 5.093 -11.256 638 H ASP -1 HN ASP -1 5.996 8.225 -9.620 639 HA ASP -1 HA ASP -1 3.283 7.845 -8.614 640 HB2 ASP -1 HB2 ASP -1 5.194 7.343 -7.105 641 HB3 ASP -1 HB1 ASP -1 5.732 9.012 -7.262 642 H LYS 0 HN LYS 0 1.854 9.481 -8.814 643 HA LYS 0 HA LYS 0 2.978 12.147 -9.189 644 HB2 LYS 0 HB2 LYS 0 0.591 10.931 -10.552 645 HB3 LYS 0 HB1 LYS 0 0.883 12.665 -10.536 646 HG2 LYS 0 HG2 LYS 0 3.098 12.236 -11.578 647 HG3 LYS 0 HG1 LYS 0 2.667 10.535 -11.694 648 HD2 LYS 0 HD2 LYS 0 0.806 11.056 -13.130 649 HD3 LYS 0 HD1 LYS 0 1.090 12.785 -12.946 650 HE2 LYS 0 HE2 LYS 0 1.974 12.003 -15.079 651 HE3 LYS 0 HE1 LYS 0 3.288 12.519 -14.023 652 HZ1 LYS 0 HZ1 LYS 0 2.472 9.721 -14.628 653 HZ2 LYS 0 HZ2 LYS 0 3.609 10.153 -13.457 654 HZ3 LYS 0 HZ3 LYS 0 3.926 10.486 -15.057 655 H GLY 1 HN GLY 1 2.219 10.916 -6.689 656 HA2 GLY 1 HA2 GLY 1 1.285 11.610 -4.728 657 HA3 GLY 1 HA1 GLY 1 1.011 13.153 -5.512 658 H ILE 2 HN ILE 2 -0.352 9.926 -5.140 659 HA ILE 2 HA ILE 2 -2.906 10.910 -6.098 660 HB ILE 2 HB ILE 2 -2.116 8.145 -5.136 661 HG12 ILE 2 HG12 ILE 2 -2.534 9.154 -7.958 662 HG13 ILE 2 HG11 ILE 2 -0.968 8.839 -7.219 663 HG21 ILE 2 HG21 ILE 2 -4.233 7.386 -6.164 664 HG22 ILE 2 HG22 ILE 2 -4.633 9.054 -6.562 665 HG23 ILE 2 HG23 ILE 2 -4.528 8.555 -4.874 666 HD11 ILE 2 HD11 ILE 2 -1.650 7.027 -8.706 667 HD12 ILE 2 HD12 ILE 2 -3.112 6.788 -7.751 668 HD13 ILE 2 HD13 ILE 2 -1.531 6.474 -7.036 669 H HIS 3 HN HIS 3 -4.515 11.518 -4.721 670 HA HIS 3 HA HIS 3 -4.319 10.572 -2.013 671 HB2 HIS 3 HB2 HIS 3 -4.746 12.747 -0.940 672 HB3 HIS 3 HB1 HIS 3 -3.263 12.802 -1.857 673 HD1 HIS 3 HD1 HIS 3 -6.039 14.900 -1.065 674 HD2 HIS 3 HD2 HIS 3 -3.843 14.165 -4.537 675 HE1 HIS 3 HE1 HIS 3 -6.471 16.821 -2.607 676 H SER 4 HN SER 4 -6.105 10.238 -0.986 677 HA SER 4 HA SER 4 -8.659 10.816 -2.228 678 HB2 SER 4 HB2 SER 4 -7.577 8.052 -1.744 679 HB3 SER 4 HB1 SER 4 -9.258 8.348 -2.053 680 HG SER 4 HG SER 4 -7.487 9.536 -3.803 681 H SER 5 HN SER 5 -10.046 8.910 -0.486 682 HA SER 5 HA SER 5 -9.131 9.585 2.135 683 HB2 SER 5 HB2 SER 5 -11.439 10.599 2.632 684 HB3 SER 5 HB1 SER 5 -10.281 11.602 1.758 685 HG SER 5 HG SER 5 -11.416 10.469 -0.152 686 H VAL 6 HN VAL 6 -10.212 8.446 3.738 687 HA VAL 6 HA VAL 6 -11.235 5.865 2.909 688 HB VAL 6 HB VAL 6 -10.937 7.047 5.684 689 HG11 VAL 6 HG11 VAL 6 -12.519 5.210 5.629 690 HG12 VAL 6 HG12 VAL 6 -11.040 4.746 6.473 691 HG13 VAL 6 HG13 VAL 6 -11.329 4.187 4.818 692 HG21 VAL 6 HG21 VAL 6 -9.152 5.255 4.107 693 HG22 VAL 6 HG22 VAL 6 -8.914 5.683 5.815 694 HG23 VAL 6 HG23 VAL 6 -8.842 6.935 4.558 695 H LYS 7 HN LYS 7 -13.392 5.447 2.637 696 HA LYS 7 HA LYS 7 -15.193 7.382 3.867 697 HB2 LYS 7 HB2 LYS 7 -15.480 5.751 1.340 698 HB3 LYS 7 HB1 LYS 7 -16.704 6.879 1.991 699 HG2 LYS 7 HG2 LYS 7 -13.951 7.638 1.082 700 HG3 LYS 7 HG1 LYS 7 -15.384 7.686 0.056 701 HD2 LYS 7 HD2 LYS 7 -16.422 9.249 1.646 702 HD3 LYS 7 HD1 LYS 7 -14.938 9.241 2.602 703 HE2 LYS 7 HE2 LYS 7 -13.669 10.167 0.822 704 HE3 LYS 7 HE1 LYS 7 -14.995 9.970 -0.313 705 HZ1 LYS 7 HZ1 LYS 7 -15.043 11.852 2.026 706 HZ2 LYS 7 HZ2 LYS 7 -16.201 11.709 0.817 707 HZ3 LYS 7 HZ3 LYS 7 -14.683 12.265 0.435 708 H ARG 8 HN ARG 8 -17.420 6.236 4.256 709 HA ARG 8 HA ARG 8 -16.724 3.735 5.641 710 HB2 ARG 8 HB2 ARG 8 -17.497 5.525 7.105 711 HB3 ARG 8 HB1 ARG 8 -19.035 5.580 6.238 712 HG2 ARG 8 HG2 ARG 8 -19.433 3.245 6.939 713 HG3 ARG 8 HG1 ARG 8 -17.923 3.288 7.850 714 HD2 ARG 8 HD2 ARG 8 -20.260 5.117 8.261 715 HD3 ARG 8 HD1 ARG 8 -19.927 3.689 9.237 716 HE ARG 8 HE ARG 8 -17.769 4.874 9.800 717 HH11 ARG 8 HH11 ARG 8 -20.722 6.683 8.981 718 HH12 ARG 8 HH12 ARG 8 -20.339 8.031 9.946 719 HH21 ARG 8 HH21 ARG 8 -17.241 6.782 11.163 720 HH22 ARG 8 HH22 ARG 8 -18.314 8.076 11.224 721 H TRP 9 HN TRP 9 -17.331 1.974 4.794 722 HA TRP 9 HA TRP 9 -19.705 1.872 3.074 723 HB2 TRP 9 HB2 TRP 9 -17.466 1.137 2.162 724 HB3 TRP 9 HB1 TRP 9 -17.427 -0.069 3.409 725 HD1 TRP 9 HD1 TRP 9 -20.863 0.098 1.990 726 HE1 TRP 9 HE1 TRP 9 -21.206 -1.757 0.331 727 HE3 TRP 9 HE3 TRP 9 -15.952 -1.620 1.373 728 HZ2 TRP 9 HZ2 TRP 9 -19.808 -3.687 -0.962 729 HZ3 TRP 9 HZ3 TRP 9 -15.649 -3.424 -0.064 730 HH2 TRP 9 HH2 TRP 9 -17.604 -4.466 -1.277 731 H GLY 10 HN GLY 10 -21.264 1.729 4.638 732 HA2 GLY 10 HA2 GLY 10 -22.670 0.498 5.947 733 HA3 GLY 10 HA1 GLY 10 -21.501 -0.824 5.928 734 H ASN 11 HN ASN 11 -20.650 -1.220 7.791 735 HA ASN 11 HA ASN 11 -20.172 1.034 9.621 736 HB2 ASN 11 HB2 ASN 11 -20.153 -0.572 11.427 737 HB3 ASN 11 HB1 ASN 11 -21.614 -0.788 10.470 738 HD21 ASN 11 HD21 ASN 11 -21.849 -2.693 9.244 739 HD22 ASN 11 HD22 ASN 11 -20.827 -4.054 9.501 740 H SER 12 HN SER 12 -18.243 0.171 7.277 741 HA SER 12 HA SER 12 -16.011 -0.264 8.981 742 HB2 SER 12 HB2 SER 12 -16.707 -1.939 6.578 743 HB3 SER 12 HB1 SER 12 -15.176 -2.032 7.461 744 HG SER 12 HG SER 12 -17.016 -2.258 9.278 745 HA PRO 13 HA PRO 13 -14.392 2.868 6.285 746 HB2 PRO 13 HB2 PRO 13 -11.741 2.376 6.807 747 HB3 PRO 13 HB1 PRO 13 -12.797 3.311 7.868 748 HG2 PRO 13 HG2 PRO 13 -11.918 0.471 8.091 749 HG3 PRO 13 HG1 PRO 13 -12.164 1.680 9.365 750 HD2 PRO 13 HD2 PRO 13 -13.969 -0.286 8.819 751 HD3 PRO 13 HD1 PRO 13 -14.441 1.297 9.450 752 H ALA 14 HN ALA 14 -14.127 2.764 4.149 753 HA ALA 14 HA ALA 14 -12.553 0.587 3.034 754 HB1 ALA 14 HB1 ALA 14 -14.179 0.272 1.260 755 HB2 ALA 14 HB2 ALA 14 -15.232 1.486 1.985 756 HB3 ALA 14 HB3 ALA 14 -14.918 -0.029 2.835 757 H VAL 15 HN VAL 15 -11.360 1.160 1.337 758 HA VAL 15 HA VAL 15 -11.490 3.971 0.489 759 HB VAL 15 HB VAL 15 -9.085 2.086 0.465 760 HG11 VAL 15 HG11 VAL 15 -9.027 3.600 -1.472 761 HG12 VAL 15 HG12 VAL 15 -7.768 4.014 -0.310 762 HG13 VAL 15 HG13 VAL 15 -9.235 4.986 -0.400 763 HG21 VAL 15 HG21 VAL 15 -8.123 3.620 2.102 764 HG22 VAL 15 HG22 VAL 15 -9.655 2.963 2.689 765 HG23 VAL 15 HG23 VAL 15 -9.583 4.602 2.045 766 H ARG 16 HN ARG 16 -11.655 4.413 -1.637 767 HA ARG 16 HA ARG 16 -12.541 2.314 -3.392 768 HB2 ARG 16 HB2 ARG 16 -12.210 5.274 -3.675 769 HB3 ARG 16 HB1 ARG 16 -12.748 4.257 -5.011 770 HG2 ARG 16 HG2 ARG 16 -14.699 3.637 -3.671 771 HG3 ARG 16 HG1 ARG 16 -14.124 4.678 -2.365 772 HD2 ARG 16 HD2 ARG 16 -14.181 6.579 -3.804 773 HD3 ARG 16 HD1 ARG 16 -14.692 5.595 -5.170 774 HE ARG 16 HE ARG 16 -16.663 5.137 -3.482 775 HH11 ARG 16 HH11 ARG 16 -15.085 8.248 -4.214 776 HH12 ARG 16 HH12 ARG 16 -16.525 9.148 -4.052 777 HH21 ARG 16 HH21 ARG 16 -18.623 6.430 -3.272 778 HH22 ARG 16 HH22 ARG 16 -18.529 8.121 -3.542 779 H ILE 17 HN ILE 17 -11.242 1.265 -4.781 780 HA ILE 17 HA ILE 17 -8.570 2.307 -5.190 781 HB ILE 17 HB ILE 17 -9.754 -0.454 -5.500 782 HG12 ILE 17 HG12 ILE 17 -7.640 -1.090 -4.264 783 HG13 ILE 17 HG11 ILE 17 -7.359 0.635 -4.063 784 HG21 ILE 17 HG21 ILE 17 -7.137 0.356 -6.681 785 HG22 ILE 17 HG22 ILE 17 -8.578 -0.201 -7.567 786 HG23 ILE 17 HG23 ILE 17 -7.725 -1.290 -6.445 787 HD11 ILE 17 HD11 ILE 17 -9.722 -0.883 -3.149 788 HD12 ILE 17 HD12 ILE 17 -9.394 0.842 -2.849 789 HD13 ILE 17 HD13 ILE 17 -8.357 -0.413 -2.129 790 HA PRO 18 HA PRO 18 -9.600 3.841 -9.229 791 HB2 PRO 18 HB2 PRO 18 -7.009 3.814 -10.234 792 HB3 PRO 18 HB1 PRO 18 -7.704 5.130 -9.286 793 HG2 PRO 18 HG2 PRO 18 -5.909 2.914 -8.418 794 HG3 PRO 18 HG1 PRO 18 -5.940 4.607 -7.894 795 HD2 PRO 18 HD2 PRO 18 -6.941 2.612 -6.397 796 HD3 PRO 18 HD1 PRO 18 -7.660 4.232 -6.392 797 H ALA 19 HN ALA 19 -10.336 2.789 -10.881 798 HA ALA 19 HA ALA 19 -10.067 0.038 -11.268 799 HB1 ALA 19 HB1 ALA 19 -12.006 1.335 -12.014 800 HB2 ALA 19 HB2 ALA 19 -11.315 0.356 -13.312 801 HB3 ALA 19 HB3 ALA 19 -11.003 2.091 -13.252 802 H THR 20 HN THR 20 -8.226 2.679 -12.465 803 HA THR 20 HA THR 20 -6.958 1.572 -14.672 804 HB THR 20 HB THR 20 -5.708 3.414 -12.623 805 HG1 THR 20 HG1 THR 20 -7.428 3.989 -14.826 806 HG21 THR 20 HG21 THR 20 -4.206 2.600 -14.417 807 HG22 THR 20 HG22 THR 20 -4.555 4.322 -14.598 808 HG23 THR 20 HG23 THR 20 -5.382 3.141 -15.611 809 H LEU 21 HN LEU 21 -6.277 1.186 -11.205 810 HA LEU 21 HA LEU 21 -3.852 -0.313 -11.657 811 HB2 LEU 21 HB2 LEU 21 -5.386 0.548 -9.252 812 HB3 LEU 21 HB1 LEU 21 -4.238 -0.766 -9.105 813 HG LEU 21 HG LEU 21 -3.482 1.461 -8.463 814 HD11 LEU 21 HD11 LEU 21 -1.865 -0.312 -9.002 815 HD12 LEU 21 HD12 LEU 21 -1.245 1.227 -9.599 816 HD13 LEU 21 HD13 LEU 21 -1.973 0.084 -10.718 817 HD21 LEU 21 HD21 LEU 21 -2.706 3.006 -10.281 818 HD22 LEU 21 HD22 LEU 21 -4.470 2.816 -10.173 819 HD23 LEU 21 HD23 LEU 21 -3.561 1.925 -11.399 820 H MET 22 HN MET 22 -7.089 -0.877 -10.794 821 HA MET 22 HA MET 22 -7.181 -3.627 -10.335 822 HB2 MET 22 HB2 MET 22 -9.079 -1.926 -11.951 823 HB3 MET 22 HB1 MET 22 -9.437 -3.566 -11.466 824 HG2 MET 22 HG2 MET 22 -8.865 -1.331 -9.538 825 HG3 MET 22 HG1 MET 22 -10.480 -1.780 -10.091 826 HE1 MET 22 HE1 MET 22 -10.890 -5.384 -8.741 827 HE2 MET 22 HE2 MET 22 -10.237 -4.908 -10.310 828 HE3 MET 22 HE3 MET 22 -11.618 -4.044 -9.643 829 H GLN 23 HN GLN 23 -7.313 -1.927 -13.330 830 HA GLN 23 HA GLN 23 -7.093 -4.200 -15.034 831 HB2 GLN 23 HB2 GLN 23 -6.620 -1.302 -15.548 832 HB3 GLN 23 HB1 GLN 23 -6.670 -2.572 -16.767 833 HG2 GLN 23 HG2 GLN 23 -8.875 -3.122 -16.039 834 HG3 GLN 23 HG1 GLN 23 -8.872 -1.777 -14.911 835 HE21 GLN 23 HE21 GLN 23 -10.614 -2.185 -17.223 836 HE22 GLN 23 HE22 GLN 23 -10.401 -0.793 -18.222 837 H ALA 24 HN ALA 24 -4.764 -2.284 -13.358 838 HA ALA 24 HA ALA 24 -2.750 -2.546 -15.411 839 HB1 ALA 24 HB1 ALA 24 -1.226 -1.482 -13.837 840 HB2 ALA 24 HB2 ALA 24 -2.416 -1.662 -12.550 841 HB3 ALA 24 HB3 ALA 24 -2.751 -0.595 -13.916 842 H LEU 25 HN LEU 25 -3.528 -3.994 -12.405 843 HA LEU 25 HA LEU 25 -1.304 -5.836 -12.536 844 HB2 LEU 25 HB2 LEU 25 -3.525 -5.279 -10.629 845 HB3 LEU 25 HB1 LEU 25 -2.456 -6.648 -10.435 846 HG LEU 25 HG LEU 25 -2.055 -4.817 -9.066 847 HD11 LEU 25 HD11 LEU 25 -0.121 -6.322 -9.606 848 HD12 LEU 25 HD12 LEU 25 0.523 -4.687 -9.456 849 HD13 LEU 25 HD13 LEU 25 0.214 -5.370 -11.042 850 HD21 LEU 25 HD21 LEU 25 -2.523 -2.881 -10.339 851 HD22 LEU 25 HD22 LEU 25 -1.206 -3.224 -11.467 852 HD23 LEU 25 HD23 LEU 25 -0.851 -2.766 -9.794 853 H ASN 26 HN ASN 26 -4.571 -5.549 -13.141 854 HA ASN 26 HA ASN 26 -6.105 -6.696 -14.240 855 HB2 ASN 26 HB2 ASN 26 -3.966 -8.766 -14.811 856 HB3 ASN 26 HB1 ASN 26 -5.623 -8.901 -15.384 857 HD21 ASN 26 HD21 ASN 26 -2.577 -7.335 -15.775 858 HD22 ASN 26 HD22 ASN 26 -2.946 -6.496 -17.227 859 H LEU 27 HN LEU 27 -6.905 -6.629 -12.076 860 HA LEU 27 HA LEU 27 -7.519 -9.334 -11.260 861 HB2 LEU 27 HB2 LEU 27 -7.835 -8.532 -9.079 862 HB3 LEU 27 HB1 LEU 27 -6.181 -8.194 -9.564 863 HG LEU 27 HG LEU 27 -8.062 -5.981 -9.972 864 HD11 LEU 27 HD11 LEU 27 -8.163 -5.451 -7.549 865 HD12 LEU 27 HD12 LEU 27 -7.585 -7.104 -7.206 866 HD13 LEU 27 HD13 LEU 27 -9.086 -6.849 -8.061 867 HD21 LEU 27 HD21 LEU 27 -6.236 -4.747 -8.831 868 HD22 LEU 27 HD22 LEU 27 -5.680 -5.685 -10.215 869 HD23 LEU 27 HD23 LEU 27 -5.398 -6.281 -8.581 870 H ASN 28 HN ASN 28 -9.636 -9.047 -9.863 871 HA ASN 28 HA ASN 28 -11.490 -7.193 -11.071 872 HB2 ASN 28 HB2 ASN 28 -13.168 -9.046 -11.424 873 HB3 ASN 28 HB1 ASN 28 -11.852 -9.054 -12.568 874 HD21 ASN 28 HD21 ASN 28 -10.404 -10.790 -12.518 875 HD22 ASN 28 HD22 ASN 28 -10.680 -12.207 -11.567 876 H ILE 29 HN ILE 29 -13.765 -8.072 -10.015 877 HA ILE 29 HA ILE 29 -13.473 -7.393 -7.280 878 HB ILE 29 HB ILE 29 -15.746 -8.214 -9.019 879 HG12 ILE 29 HG12 ILE 29 -14.930 -6.005 -9.506 880 HG13 ILE 29 HG11 ILE 29 -16.489 -5.850 -8.713 881 HG21 ILE 29 HG21 ILE 29 -16.292 -8.977 -6.750 882 HG22 ILE 29 HG22 ILE 29 -17.350 -7.669 -7.222 883 HG23 ILE 29 HG23 ILE 29 -15.998 -7.360 -6.112 884 HD11 ILE 29 HD11 ILE 29 -15.308 -5.322 -6.604 885 HD12 ILE 29 HD12 ILE 29 -14.988 -4.174 -7.900 886 HD13 ILE 29 HD13 ILE 29 -13.775 -5.382 -7.482 887 H ASP 30 HN ASP 30 -13.582 -8.591 -5.526 888 HA ASP 30 HA ASP 30 -13.687 -10.234 -4.077 889 HB2 ASP 30 HB2 ASP 30 -15.782 -10.920 -5.502 890 HB3 ASP 30 HB1 ASP 30 -14.733 -12.180 -6.137 891 H ASP 31 HN ASP 31 -11.470 -9.670 -5.876 892 HA ASP 31 HA ASP 31 -10.139 -12.241 -6.053 893 HB2 ASP 31 HB2 ASP 31 -10.049 -10.595 -7.963 894 HB3 ASP 31 HB1 ASP 31 -9.142 -9.507 -6.919 895 H GLU 32 HN GLU 32 -8.529 -12.719 -4.748 896 HA GLU 32 HA GLU 32 -8.401 -11.469 -2.220 897 HB2 GLU 32 HB2 GLU 32 -8.327 -13.827 -2.353 898 HB3 GLU 32 HB1 GLU 32 -7.011 -13.819 -3.484 899 HG2 GLU 32 HG2 GLU 32 -5.513 -13.041 -1.774 900 HG3 GLU 32 HG1 GLU 32 -6.848 -12.917 -0.623 901 H VAL 33 HN VAL 33 -6.822 -10.268 -1.317 902 HA VAL 33 HA VAL 33 -4.448 -9.711 -2.891 903 HB VAL 33 HB VAL 33 -4.605 -7.366 -2.881 904 HG11 VAL 33 HG11 VAL 33 -6.766 -6.695 -3.741 905 HG12 VAL 33 HG12 VAL 33 -7.468 -8.116 -3.005 906 HG13 VAL 33 HG13 VAL 33 -6.354 -8.317 -4.365 907 HG21 VAL 33 HG21 VAL 33 -5.127 -7.113 -0.478 908 HG22 VAL 33 HG22 VAL 33 -6.845 -7.421 -0.888 909 HG23 VAL 33 HG23 VAL 33 -6.030 -6.004 -1.511 910 H LYS 34 HN LYS 34 -2.667 -9.042 -1.796 911 HA LYS 34 HA LYS 34 -2.680 -9.934 0.971 912 HB2 LYS 34 HB2 LYS 34 -0.458 -9.175 -0.892 913 HB3 LYS 34 HB1 LYS 34 -0.219 -9.736 0.756 914 HG2 LYS 34 HG2 LYS 34 -1.209 -11.889 0.126 915 HG3 LYS 34 HG1 LYS 34 -1.409 -11.303 -1.520 916 HD2 LYS 34 HD2 LYS 34 1.223 -11.659 -0.064 917 HD3 LYS 34 HD1 LYS 34 0.581 -12.729 -1.303 918 HE2 LYS 34 HE2 LYS 34 2.146 -11.427 -2.458 919 HE3 LYS 34 HE1 LYS 34 0.619 -10.636 -2.821 920 HZ1 LYS 34 HZ1 LYS 34 2.658 -9.727 -0.843 921 HZ2 LYS 34 HZ2 LYS 34 1.203 -8.974 -1.015 922 HZ3 LYS 34 HZ3 LYS 34 2.287 -8.993 -2.300 923 H ILE 35 HN ILE 35 -2.444 -8.571 2.589 924 HA ILE 35 HA ILE 35 -1.752 -5.818 1.959 925 HB ILE 35 HB ILE 35 -3.259 -6.918 4.370 926 HG12 ILE 35 HG12 ILE 35 -5.033 -5.221 3.642 927 HG13 ILE 35 HG11 ILE 35 -4.143 -5.087 2.137 928 HG21 ILE 35 HG21 ILE 35 -1.828 -5.229 5.200 929 HG22 ILE 35 HG22 ILE 35 -3.448 -4.531 5.100 930 HG23 ILE 35 HG23 ILE 35 -2.239 -4.145 3.878 931 HD11 ILE 35 HD11 ILE 35 -4.527 -7.473 1.740 932 HD12 ILE 35 HD12 ILE 35 -6.010 -6.532 1.862 933 HD13 ILE 35 HD13 ILE 35 -5.486 -7.537 3.226 934 H ASP 36 HN ASP 36 0.325 -5.656 2.197 935 HA ASP 36 HA ASP 36 1.611 -7.222 4.299 936 HB2 ASP 36 HB2 ASP 36 2.861 -5.804 1.882 937 HB3 ASP 36 HB1 ASP 36 3.766 -6.621 3.140 938 H LEU 37 HN LEU 37 2.471 -6.164 6.122 939 HA LEU 37 HA LEU 37 1.773 -3.427 6.178 940 HB2 LEU 37 HB2 LEU 37 0.699 -5.200 7.657 941 HB3 LEU 37 HB1 LEU 37 2.311 -5.396 8.320 942 HG LEU 37 HG LEU 37 0.611 -4.058 9.649 943 HD11 LEU 37 HD11 LEU 37 2.388 -2.467 10.401 944 HD12 LEU 37 HD12 LEU 37 3.356 -3.092 9.027 945 HD13 LEU 37 HD13 LEU 37 2.853 -4.168 10.313 946 HD21 LEU 37 HD21 LEU 37 1.452 -1.908 7.729 947 HD22 LEU 37 HD22 LEU 37 0.321 -1.746 9.085 948 HD23 LEU 37 HD23 LEU 37 -0.080 -2.761 7.683 949 H VAL 38 HN VAL 38 3.254 -2.056 6.544 950 HA VAL 38 HA VAL 38 5.932 -2.758 7.519 951 HB VAL 38 HB VAL 38 5.633 -1.118 4.966 952 HG11 VAL 38 HG11 VAL 38 8.087 -2.199 6.322 953 HG12 VAL 38 HG12 VAL 38 7.560 -0.517 6.285 954 HG13 VAL 38 HG13 VAL 38 8.062 -1.316 4.794 955 HG21 VAL 38 HG21 VAL 38 6.625 -3.967 5.198 956 HG22 VAL 38 HG22 VAL 38 6.647 -2.989 3.731 957 HG23 VAL 38 HG23 VAL 38 5.110 -3.462 4.451 958 H ASP 39 HN ASP 39 6.028 -1.397 9.256 959 HA ASP 39 HA ASP 39 6.170 0.467 10.543 960 HB2 ASP 39 HB2 ASP 39 6.385 1.863 7.868 961 HB3 ASP 39 HB1 ASP 39 6.519 2.719 9.396 962 H GLY 40 HN GLY 40 3.597 -0.464 9.525 963 HA2 GLY 40 HA2 GLY 40 1.409 0.103 10.266 964 HA3 GLY 40 HA1 GLY 40 1.988 1.728 10.601 965 H LYS 41 HN LYS 41 3.117 1.003 7.608 966 HA LYS 41 HA LYS 41 1.111 2.589 6.291 967 HB2 LYS 41 HB2 LYS 41 3.591 2.890 6.105 968 HB3 LYS 41 HB1 LYS 41 3.668 1.293 5.376 969 HG2 LYS 41 HG2 LYS 41 2.149 2.256 3.574 970 HG3 LYS 41 HG1 LYS 41 2.568 3.837 4.251 971 HD2 LYS 41 HD2 LYS 41 4.545 1.762 3.375 972 HD3 LYS 41 HD1 LYS 41 4.082 3.148 2.371 973 HE2 LYS 41 HE2 LYS 41 5.448 3.261 5.085 974 HE3 LYS 41 HE1 LYS 41 6.270 3.395 3.538 975 HZ1 LYS 41 HZ1 LYS 41 4.275 5.336 4.631 976 HZ2 LYS 41 HZ2 LYS 41 4.966 5.426 3.111 977 HZ3 LYS 41 HZ3 LYS 41 5.927 5.547 4.474 978 H LEU 42 HN LEU 42 -0.313 1.645 4.920 979 HA LEU 42 HA LEU 42 -0.447 -1.245 4.935 980 HB2 LEU 42 HB2 LEU 42 -2.416 0.894 4.271 981 HB3 LEU 42 HB1 LEU 42 -2.726 -0.794 3.888 982 HG LEU 42 HG LEU 42 -2.001 0.112 6.619 983 HD11 LEU 42 HD11 LEU 42 -4.786 -0.201 5.411 984 HD12 LEU 42 HD12 LEU 42 -4.068 1.326 5.928 985 HD13 LEU 42 HD13 LEU 42 -4.465 0.090 7.120 986 HD21 LEU 42 HD21 LEU 42 -3.390 -2.321 5.539 987 HD22 LEU 42 HD22 LEU 42 -3.198 -1.982 7.248 988 HD23 LEU 42 HD23 LEU 42 -1.777 -2.247 6.243 989 H ILE 43 HN ILE 43 0.444 -2.254 3.470 990 HA ILE 43 HA ILE 43 0.588 -1.158 0.780 991 HB ILE 43 HB ILE 43 2.075 -3.215 2.251 992 HG12 ILE 43 HG12 ILE 43 4.081 -2.164 1.316 993 HG13 ILE 43 HG11 ILE 43 3.057 -1.076 0.382 994 HG21 ILE 43 HG21 ILE 43 3.199 -4.036 0.159 995 HG22 ILE 43 HG22 ILE 43 2.011 -3.100 -0.756 996 HG23 ILE 43 HG23 ILE 43 1.481 -4.446 0.268 997 HD11 ILE 43 HD11 ILE 43 2.182 -0.183 2.425 998 HD12 ILE 43 HD12 ILE 43 3.941 0.027 2.334 999 HD13 ILE 43 HD13 ILE 43 3.237 -1.228 3.379 1000 H ILE 44 HN ILE 44 -0.669 -1.720 -0.560 1001 HA ILE 44 HA ILE 44 -2.400 -4.107 -0.286 1002 HB ILE 44 HB ILE 44 -2.869 -1.583 -1.891 1003 HG12 ILE 44 HG12 ILE 44 -3.099 -1.118 0.486 1004 HG13 ILE 44 HG11 ILE 44 -4.677 -1.080 -0.284 1005 HG21 ILE 44 HG21 ILE 44 -4.701 -3.940 -1.490 1006 HG22 ILE 44 HG22 ILE 44 -3.901 -3.448 -2.987 1007 HG23 ILE 44 HG23 ILE 44 -5.147 -2.421 -2.277 1008 HD11 ILE 44 HD11 ILE 44 -5.123 -3.334 0.599 1009 HD12 ILE 44 HD12 ILE 44 -4.804 -2.149 1.869 1010 HD13 ILE 44 HD13 ILE 44 -3.548 -3.295 1.398 1011 H GLU 45 HN GLU 45 -1.766 -5.729 -1.566 1012 HA GLU 45 HA GLU 45 -0.976 -5.093 -4.311 1013 HB2 GLU 45 HB2 GLU 45 1.059 -5.365 -3.056 1014 HB3 GLU 45 HB1 GLU 45 0.504 -6.917 -2.430 1015 HG2 GLU 45 HG2 GLU 45 0.659 -7.879 -4.609 1016 HG3 GLU 45 HG1 GLU 45 1.021 -6.305 -5.322 1017 HA PRO 46 HA PRO 46 -4.304 -8.159 -5.032 1018 HB2 PRO 46 HB2 PRO 46 -3.390 -8.327 -7.668 1019 HB3 PRO 46 HB1 PRO 46 -4.745 -7.386 -7.039 1020 HG2 PRO 46 HG2 PRO 46 -1.940 -6.648 -7.485 1021 HG3 PRO 46 HG1 PRO 46 -3.446 -5.721 -7.838 1022 HD2 PRO 46 HD2 PRO 46 -2.098 -4.954 -5.688 1023 HD3 PRO 46 HD1 PRO 46 -3.801 -5.306 -5.533 1024 H VAL 47 HN VAL 47 -4.244 -10.255 -5.706 1025 HA VAL 47 HA VAL 47 -1.577 -11.513 -5.747 1026 HB VAL 47 HB VAL 47 -4.133 -12.964 -5.120 1027 HG11 VAL 47 HG11 VAL 47 -2.683 -14.700 -4.318 1028 HG12 VAL 47 HG12 VAL 47 -1.285 -13.655 -4.639 1029 HG13 VAL 47 HG13 VAL 47 -2.268 -14.270 -6.002 1030 HG21 VAL 47 HG21 VAL 47 -3.840 -11.475 -3.336 1031 HG22 VAL 47 HG22 VAL 47 -2.097 -11.832 -3.271 1032 HG23 VAL 47 HG23 VAL 47 -3.269 -13.054 -2.763 1033 H ARG 48 HN ARG 48 -1.213 -11.453 -7.731 1034 HA ARG 48 HA ARG 48 -3.138 -11.741 -9.753 1035 HB2 ARG 48 HB2 ARG 48 -0.144 -11.674 -9.900 1036 HB3 ARG 48 HB1 ARG 48 -1.168 -11.754 -11.323 1037 HG2 ARG 48 HG2 ARG 48 -2.205 -9.642 -10.729 1038 HG3 ARG 48 HG1 ARG 48 -1.258 -9.579 -9.244 1039 HD2 ARG 48 HD2 ARG 48 -0.090 -9.639 -12.016 1040 HD3 ARG 48 HD1 ARG 48 -0.350 -8.169 -11.081 1041 HE ARG 48 HE ARG 48 1.131 -9.724 -9.433 1042 HH11 ARG 48 HH11 ARG 48 1.583 -8.699 -12.805 1043 HH12 ARG 48 HH12 ARG 48 3.264 -8.612 -12.706 1044 HH21 ARG 48 HH21 ARG 48 3.496 -9.582 -9.308 1045 HH22 ARG 48 HH22 ARG 48 4.366 -9.103 -10.678 1046 H LYS 49 HN LYS 49 -3.630 -13.295 -11.158 1047 HA LYS 49 HA LYS 49 -2.960 -15.970 -10.346 1048 HB2 LYS 49 HB2 LYS 49 -5.166 -14.803 -12.038 1049 HB3 LYS 49 HB1 LYS 49 -4.781 -16.513 -12.132 1050 HG2 LYS 49 HG2 LYS 49 -6.666 -16.070 -10.612 1051 HG3 LYS 49 HG1 LYS 49 -5.292 -16.785 -9.770 1052 HD2 LYS 49 HD2 LYS 49 -4.620 -14.576 -9.010 1053 HD3 LYS 49 HD1 LYS 49 -5.999 -13.865 -9.828 1054 HE2 LYS 49 HE2 LYS 49 -7.493 -15.181 -8.366 1055 HE3 LYS 49 HE1 LYS 49 -6.078 -15.877 -7.570 1056 HZ1 LYS 49 HZ1 LYS 49 -6.864 -14.089 -6.234 1057 HZ2 LYS 49 HZ2 LYS 49 -6.983 -13.073 -7.571 1058 HZ3 LYS 49 HZ3 LYS 49 -5.464 -13.489 -7.007 1059 H GLU 50 HN GLU 50 -1.255 -16.516 -11.097 1060 HA GLU 50 HA GLU 50 -0.742 -16.402 -13.976 1061 HB2 GLU 50 HB2 GLU 50 0.489 -14.580 -12.768 1062 HB3 GLU 50 HB1 GLU 50 1.332 -15.816 -11.855 1063 HG2 GLU 50 HG2 GLU 50 2.273 -16.688 -13.926 1064 HG3 GLU 50 HG1 GLU 50 1.440 -15.422 -14.832 Start of MODEL 7 1 H1 ASN -16 HT1 ASN -16 14.679 -12.273 -12.637 2 H2 ASN -16 HT2 ASN -16 15.075 -13.270 -13.899 3 H3 ASN -16 HT3 ASN -16 14.123 -11.901 -14.192 4 HA ASN -16 HA ASN -16 16.420 -11.623 -14.921 5 HB2 ASN -16 HB2 ASN -16 16.926 -9.516 -13.770 6 HB3 ASN -16 HB1 ASN -16 15.198 -9.612 -14.054 7 HD21 ASN -16 HD21 ASN -16 13.802 -9.911 -12.250 8 HD22 ASN -16 HD22 ASN -16 14.349 -9.629 -10.648 9 H HIS -15 HN HIS -15 18.676 -11.201 -14.065 10 HA HIS -15 HA HIS -15 19.275 -13.342 -12.157 11 HB2 HIS -15 HB2 HIS -15 21.000 -12.104 -14.311 12 HB3 HIS -15 HB1 HIS -15 21.565 -13.291 -13.147 13 HD1 HIS -15 HD1 HIS -15 20.746 -15.750 -13.493 14 HD2 HIS -15 HD2 HIS -15 19.474 -13.059 -16.380 15 HE1 HIS -15 HE1 HIS -15 19.875 -17.147 -15.404 16 H LYS -14 HN LYS -14 21.377 -12.980 -10.968 17 HA LYS -14 HA LYS -14 22.686 -11.883 -9.511 18 HB2 LYS -14 HB2 LYS -14 21.902 -9.439 -11.095 19 HB3 LYS -14 HB1 LYS -14 23.134 -9.443 -9.844 20 HG2 LYS -14 HG2 LYS -14 24.473 -11.008 -11.138 21 HG3 LYS -14 HG1 LYS -14 23.217 -11.076 -12.374 22 HD2 LYS -14 HD2 LYS -14 24.734 -8.589 -11.577 23 HD3 LYS -14 HD1 LYS -14 25.097 -9.588 -12.986 24 HE2 LYS -14 HE2 LYS -14 22.854 -9.114 -13.878 25 HE3 LYS -14 HE1 LYS -14 22.505 -8.122 -12.470 26 HZ1 LYS -14 HZ1 LYS -14 24.306 -6.646 -13.115 27 HZ2 LYS -14 HZ2 LYS -14 23.157 -6.782 -14.337 28 HZ3 LYS -14 HZ3 LYS -14 24.620 -7.601 -14.475 29 H VAL -13 HN VAL -13 19.964 -12.403 -9.001 30 HA VAL -13 HA VAL -13 18.779 -10.214 -7.698 31 HB VAL -13 HB VAL -13 17.162 -11.899 -6.686 32 HG11 VAL -13 HG11 VAL -13 17.549 -11.928 -9.676 33 HG12 VAL -13 HG12 VAL -13 16.669 -10.715 -8.751 34 HG13 VAL -13 HG13 VAL -13 16.066 -12.371 -8.830 35 HG21 VAL -13 HG21 VAL -13 18.639 -13.869 -6.689 36 HG22 VAL -13 HG22 VAL -13 18.672 -13.837 -8.455 37 HG23 VAL -13 HG23 VAL -13 17.164 -14.171 -7.608 38 H HIS -12 HN HIS -12 19.989 -9.302 -6.237 39 HA HIS -12 HA HIS -12 21.086 -10.892 -4.069 40 HB2 HIS -12 HB2 HIS -12 22.192 -8.791 -3.319 41 HB3 HIS -12 HB1 HIS -12 22.608 -9.219 -4.968 42 HD1 HIS -12 HD1 HIS -12 21.925 -7.489 -6.825 43 HD2 HIS -12 HD2 HIS -12 20.657 -6.477 -2.993 44 HE1 HIS -12 HE1 HIS -12 21.136 -5.103 -6.958 45 H HIS -11 HN HIS -11 18.520 -8.714 -4.744 46 HA HIS -11 HA HIS -11 17.768 -8.681 -1.926 47 HB2 HIS -11 HB2 HIS -11 17.743 -6.497 -3.111 48 HB3 HIS -11 HB1 HIS -11 16.603 -7.146 -4.280 49 HD1 HIS -11 HD1 HIS -11 14.122 -6.954 -3.668 50 HD2 HIS -11 HD2 HIS -11 16.654 -6.152 -0.466 51 HE1 HIS -11 HE1 HIS -11 12.652 -6.072 -1.824 52 H HIS -10 HN HIS -10 17.020 -10.714 -1.638 53 HA HIS -10 HA HIS -10 14.446 -11.274 -2.779 54 HB2 HIS -10 HB2 HIS -10 14.988 -13.509 -3.623 55 HB3 HIS -10 HB1 HIS -10 16.060 -12.364 -4.397 56 HD1 HIS -10 HD1 HIS -10 18.683 -12.680 -3.863 57 HD2 HIS -10 HD2 HIS -10 16.132 -15.382 -1.998 58 HE1 HIS -10 HE1 HIS -10 20.140 -14.487 -2.936 59 H HIS -9 HN HIS -9 13.256 -12.688 -1.433 60 HA HIS -9 HA HIS -9 14.506 -12.925 1.190 61 HB2 HIS -9 HB2 HIS -9 12.192 -13.006 2.170 62 HB3 HIS -9 HB1 HIS -9 12.561 -11.502 1.355 63 HD1 HIS -9 HD1 HIS -9 9.866 -13.708 1.810 64 HD2 HIS -9 HD2 HIS -9 11.378 -11.667 -1.470 65 HE1 HIS -9 HE1 HIS -9 7.976 -13.556 0.143 66 H HIS -8 HN HIS -8 15.343 -14.643 -0.381 67 HA HIS -8 HA HIS -8 15.934 -16.790 -0.615 68 HB2 HIS -8 HB2 HIS -8 13.981 -17.342 1.625 69 HB3 HIS -8 HB1 HIS -8 15.068 -18.550 0.939 70 HD1 HIS -8 HD1 HIS -8 14.996 -16.949 3.918 71 HD2 HIS -8 HD2 HIS -8 17.800 -16.867 0.859 72 HE1 HIS -8 HE1 HIS -8 17.168 -16.213 4.969 73 H HIS -7 HN HIS -7 12.458 -16.656 -0.268 74 HA HIS -7 HA HIS -7 12.191 -17.864 -2.908 75 HB2 HIS -7 HB2 HIS -7 10.742 -18.798 -0.400 76 HB3 HIS -7 HB1 HIS -7 10.282 -19.250 -2.031 77 HD1 HIS -7 HD1 HIS -7 12.170 -20.494 0.774 78 HD2 HIS -7 HD2 HIS -7 12.530 -20.662 -3.366 79 HE1 HIS -7 HE1 HIS -7 13.714 -22.405 0.283 80 H MET -6 HN MET -6 10.118 -17.228 -3.818 81 HA MET -6 HA MET -6 9.226 -14.723 -2.696 82 HB2 MET -6 HB2 MET -6 8.419 -16.168 -5.239 83 HB3 MET -6 HB1 MET -6 7.630 -14.704 -4.688 84 HG2 MET -6 HG2 MET -6 9.214 -14.125 -6.377 85 HG3 MET -6 HG1 MET -6 9.797 -13.523 -4.835 86 HE1 MET -6 HE1 MET -6 9.949 -17.197 -6.320 87 HE2 MET -6 HE2 MET -6 11.542 -17.178 -7.073 88 HE3 MET -6 HE3 MET -6 10.258 -16.148 -7.701 89 H SER -5 HN SER -5 8.671 -15.936 -0.817 90 HA SER -5 HA SER -5 6.402 -17.631 -0.846 91 HB2 SER -5 HB2 SER -5 8.203 -17.873 0.839 92 HB3 SER -5 HB1 SER -5 7.784 -16.289 1.487 93 HG SER -5 HG SER -5 6.895 -18.136 2.596 94 H ASP -4 HN ASP -4 4.610 -16.651 -1.545 95 HA ASP -4 HA ASP -4 3.839 -14.025 -0.823 96 HB2 ASP -4 HB2 ASP -4 2.853 -15.065 -2.795 97 HB3 ASP -4 HB1 ASP -4 2.120 -16.318 -1.789 98 H ASP -3 HN ASP -3 3.483 -17.063 0.566 99 HA ASP -3 HA ASP -3 1.329 -16.662 2.337 100 HB2 ASP -3 HB2 ASP -3 2.207 -18.883 1.816 101 HB3 ASP -3 HB1 ASP -3 3.701 -18.488 2.656 102 H ASP -2 HN ASP -2 4.787 -16.249 2.872 103 HA ASP -2 HA ASP -2 4.496 -15.395 5.598 104 HB2 ASP -2 HB2 ASP -2 6.586 -16.382 4.856 105 HB3 ASP -2 HB1 ASP -2 6.797 -15.115 3.654 106 H ASP -1 HN ASP -1 4.692 -13.891 2.535 107 HA ASP -1 HA ASP -1 4.958 -11.162 3.544 108 HB2 ASP -1 HB2 ASP -1 6.385 -12.028 1.737 109 HB3 ASP -1 HB1 ASP -1 4.968 -12.416 0.787 110 H LYS 0 HN LYS 0 2.468 -12.843 3.819 111 HA LYS 0 HA LYS 0 0.654 -11.663 1.870 112 HB2 LYS 0 HB2 LYS 0 0.769 -14.152 2.605 113 HB3 LYS 0 HB1 LYS 0 -0.186 -13.621 3.973 114 HG2 LYS 0 HG2 LYS 0 -1.977 -12.953 2.561 115 HG3 LYS 0 HG1 LYS 0 -0.990 -13.188 1.114 116 HD2 LYS 0 HD2 LYS 0 -0.768 -15.599 1.756 117 HD3 LYS 0 HD1 LYS 0 -1.955 -15.310 3.027 118 HE2 LYS 0 HE2 LYS 0 -2.967 -16.273 1.018 119 HE3 LYS 0 HE1 LYS 0 -3.604 -14.666 1.365 120 HZ1 LYS 0 HZ1 LYS 0 -3.128 -14.983 -0.991 121 HZ2 LYS 0 HZ2 LYS 0 -1.461 -15.216 -0.656 122 HZ3 LYS 0 HZ3 LYS 0 -2.182 -13.758 -0.347 123 H GLY 1 HN GLY 1 1.110 -11.777 5.339 124 HA2 GLY 1 HA2 GLY 1 0.428 -10.412 6.998 125 HA3 GLY 1 HA1 GLY 1 -0.031 -9.240 5.762 126 H ILE 2 HN ILE 2 -1.967 -8.885 5.534 127 HA ILE 2 HA ILE 2 -4.026 -10.679 6.644 128 HB ILE 2 HB ILE 2 -4.243 -7.739 5.887 129 HG12 ILE 2 HG12 ILE 2 -4.182 -9.011 8.637 130 HG13 ILE 2 HG11 ILE 2 -2.843 -8.148 7.899 131 HG21 ILE 2 HG21 ILE 2 -6.368 -8.899 5.606 132 HG22 ILE 2 HG22 ILE 2 -6.445 -7.806 6.989 133 HG23 ILE 2 HG23 ILE 2 -6.254 -9.538 7.247 134 HD11 ILE 2 HD11 ILE 2 -5.517 -6.965 8.622 135 HD12 ILE 2 HD12 ILE 2 -4.168 -6.095 7.896 136 HD13 ILE 2 HD13 ILE 2 -4.013 -6.763 9.519 137 H HIS 3 HN HIS 3 -5.250 -11.746 5.192 138 HA HIS 3 HA HIS 3 -5.008 -10.810 2.450 139 HB2 HIS 3 HB2 HIS 3 -5.161 -12.994 1.525 140 HB3 HIS 3 HB1 HIS 3 -4.121 -13.177 2.915 141 HD1 HIS 3 HD1 HIS 3 -6.705 -14.909 1.180 142 HD2 HIS 3 HD2 HIS 3 -5.822 -14.405 5.241 143 HE1 HIS 3 HE1 HIS 3 -7.940 -16.689 2.424 144 H SER 4 HN SER 4 -6.493 -9.582 2.010 145 HA SER 4 HA SER 4 -9.257 -10.284 2.668 146 HB2 SER 4 HB2 SER 4 -7.824 -7.677 2.584 147 HB3 SER 4 HB1 SER 4 -9.563 -7.663 2.321 148 HG SER 4 HG SER 4 -8.390 -9.048 4.477 149 H SER 5 HN SER 5 -10.452 -8.396 0.893 150 HA SER 5 HA SER 5 -9.524 -9.185 -1.716 151 HB2 SER 5 HB2 SER 5 -12.300 -9.882 -0.712 152 HB3 SER 5 HB1 SER 5 -11.646 -10.205 -2.314 153 HG SER 5 HG SER 5 -9.922 -11.254 -0.781 154 H VAL 6 HN VAL 6 -10.561 -7.966 -3.331 155 HA VAL 6 HA VAL 6 -11.572 -5.375 -2.480 156 HB VAL 6 HB VAL 6 -11.216 -6.501 -5.273 157 HG11 VAL 6 HG11 VAL 6 -11.230 -4.157 -5.987 158 HG12 VAL 6 HG12 VAL 6 -11.568 -3.662 -4.326 159 HG13 VAL 6 HG13 VAL 6 -12.747 -4.628 -5.221 160 HG21 VAL 6 HG21 VAL 6 -9.128 -5.267 -5.335 161 HG22 VAL 6 HG22 VAL 6 -9.160 -6.466 -4.030 162 HG23 VAL 6 HG23 VAL 6 -9.421 -4.752 -3.665 163 H LYS 7 HN LYS 7 -13.740 -4.949 -2.352 164 HA LYS 7 HA LYS 7 -15.482 -6.907 -3.635 165 HB2 LYS 7 HB2 LYS 7 -15.854 -5.279 -1.134 166 HB3 LYS 7 HB1 LYS 7 -17.094 -6.318 -1.893 167 HG2 LYS 7 HG2 LYS 7 -14.476 -7.315 -0.836 168 HG3 LYS 7 HG1 LYS 7 -15.955 -7.238 0.125 169 HD2 LYS 7 HD2 LYS 7 -17.052 -8.577 -1.691 170 HD3 LYS 7 HD1 LYS 7 -15.449 -8.837 -2.371 171 HE2 LYS 7 HE2 LYS 7 -14.695 -9.947 -0.398 172 HE3 LYS 7 HE1 LYS 7 -16.165 -9.504 0.471 173 HZ1 LYS 7 HZ1 LYS 7 -16.236 -11.794 -0.221 174 HZ2 LYS 7 HZ2 LYS 7 -15.995 -11.385 -1.835 175 HZ3 LYS 7 HZ3 LYS 7 -17.413 -10.916 -1.051 176 H ARG 8 HN ARG 8 -17.680 -5.792 -4.106 177 HA ARG 8 HA ARG 8 -17.024 -3.236 -5.384 178 HB2 ARG 8 HB2 ARG 8 -17.666 -5.052 -6.868 179 HB3 ARG 8 HB1 ARG 8 -19.223 -5.152 -6.053 180 HG2 ARG 8 HG2 ARG 8 -19.772 -2.910 -6.793 181 HG3 ARG 8 HG1 ARG 8 -18.169 -2.768 -7.531 182 HD2 ARG 8 HD2 ARG 8 -19.922 -4.992 -8.150 183 HD3 ARG 8 HD1 ARG 8 -20.202 -3.463 -9.024 184 HE ARG 8 HE ARG 8 -17.585 -3.919 -9.418 185 HH11 ARG 8 HH11 ARG 8 -20.269 -6.216 -9.750 186 HH12 ARG 8 HH12 ARG 8 -19.577 -7.057 -11.054 187 HH21 ARG 8 HH21 ARG 8 -16.649 -5.055 -11.233 188 HH22 ARG 8 HH22 ARG 8 -17.472 -6.372 -11.921 189 H TRP 9 HN TRP 9 -17.749 -1.498 -4.505 190 HA TRP 9 HA TRP 9 -20.138 -1.516 -2.794 191 HB2 TRP 9 HB2 TRP 9 -17.929 -0.737 -1.847 192 HB3 TRP 9 HB1 TRP 9 -17.885 0.466 -3.091 193 HD1 TRP 9 HD1 TRP 9 -21.329 0.369 -1.711 194 HE1 TRP 9 HE1 TRP 9 -21.659 2.240 -0.055 195 HE3 TRP 9 HE3 TRP 9 -16.388 1.944 -0.976 196 HZ2 TRP 9 HZ2 TRP 9 -20.223 4.141 1.274 197 HZ3 TRP 9 HZ3 TRP 9 -16.054 3.746 0.428 198 HH2 TRP 9 HH2 TRP 9 -17.986 4.859 1.617 199 H GLY 10 HN GLY 10 -21.746 -1.303 -4.322 200 HA2 GLY 10 HA2 GLY 10 -23.114 -0.115 -5.723 201 HA3 GLY 10 HA1 GLY 10 -21.939 1.209 -5.712 202 H ASN 11 HN ASN 11 -21.224 1.534 -7.722 203 HA ASN 11 HA ASN 11 -20.474 -0.886 -9.195 204 HB2 ASN 11 HB2 ASN 11 -20.541 0.394 -11.233 205 HB3 ASN 11 HB1 ASN 11 -22.033 0.683 -10.359 206 HD21 ASN 11 HD21 ASN 11 -20.810 2.230 -12.444 207 HD22 ASN 11 HD22 ASN 11 -20.531 3.812 -11.833 208 H SER 12 HN SER 12 -18.763 0.283 -6.952 209 HA SER 12 HA SER 12 -16.460 0.859 -8.566 210 HB2 SER 12 HB2 SER 12 -17.297 2.322 -6.055 211 HB3 SER 12 HB1 SER 12 -15.801 2.575 -6.960 212 HG SER 12 HG SER 12 -17.280 2.941 -8.784 213 HA PRO 13 HA PRO 13 -14.803 -2.359 -5.949 214 HB2 PRO 13 HB2 PRO 13 -12.155 -1.787 -6.468 215 HB3 PRO 13 HB1 PRO 13 -13.184 -2.757 -7.521 216 HG2 PRO 13 HG2 PRO 13 -12.379 0.101 -7.769 217 HG3 PRO 13 HG1 PRO 13 -12.630 -1.118 -9.030 218 HD2 PRO 13 HD2 PRO 13 -14.453 0.827 -8.448 219 HD3 PRO 13 HD1 PRO 13 -14.920 -0.753 -9.094 220 H ALA 14 HN ALA 14 -14.534 -2.299 -3.808 221 HA ALA 14 HA ALA 14 -13.088 -0.075 -2.604 222 HB1 ALA 14 HB1 ALA 14 -15.707 -1.228 -1.662 223 HB2 ALA 14 HB2 ALA 14 -15.483 0.361 -2.392 224 HB3 ALA 14 HB3 ALA 14 -14.750 -0.003 -0.831 225 H VAL 15 HN VAL 15 -11.913 -0.695 -0.811 226 HA VAL 15 HA VAL 15 -12.096 -3.514 -0.127 227 HB VAL 15 HB VAL 15 -9.992 -3.087 -1.396 228 HG11 VAL 15 HG11 VAL 15 -9.247 -1.280 0.873 229 HG12 VAL 15 HG12 VAL 15 -9.549 -0.812 -0.801 230 HG13 VAL 15 HG13 VAL 15 -8.159 -1.823 -0.403 231 HG21 VAL 15 HG21 VAL 15 -9.543 -3.817 1.493 232 HG22 VAL 15 HG22 VAL 15 -8.426 -4.160 0.169 233 HG23 VAL 15 HG23 VAL 15 -10.016 -4.916 0.199 234 H ARG 16 HN ARG 16 -12.014 -4.002 2.015 235 HA ARG 16 HA ARG 16 -12.866 -1.878 3.735 236 HB2 ARG 16 HB2 ARG 16 -12.625 -4.847 4.033 237 HB3 ARG 16 HB1 ARG 16 -13.152 -3.812 5.370 238 HG2 ARG 16 HG2 ARG 16 -15.059 -3.130 4.050 239 HG3 ARG 16 HG1 ARG 16 -14.474 -4.071 2.673 240 HD2 ARG 16 HD2 ARG 16 -14.671 -6.102 3.985 241 HD3 ARG 16 HD1 ARG 16 -15.252 -5.177 5.369 242 HE ARG 16 HE ARG 16 -17.031 -4.478 3.536 243 HH11 ARG 16 HH11 ARG 16 -15.853 -7.745 4.371 244 HH12 ARG 16 HH12 ARG 16 -17.314 -8.507 3.973 245 HH21 ARG 16 HH21 ARG 16 -19.026 -5.553 2.988 246 HH22 ARG 16 HH22 ARG 16 -19.166 -7.234 3.159 247 H ILE 17 HN ILE 17 -11.637 -0.841 5.151 248 HA ILE 17 HA ILE 17 -8.857 -1.632 5.503 249 HB ILE 17 HB ILE 17 -10.376 0.794 6.542 250 HG12 ILE 17 HG12 ILE 17 -10.088 0.888 4.127 251 HG13 ILE 17 HG11 ILE 17 -9.097 2.108 4.898 252 HG21 ILE 17 HG21 ILE 17 -8.529 0.255 8.040 253 HG22 ILE 17 HG22 ILE 17 -8.201 1.750 7.166 254 HG23 ILE 17 HG23 ILE 17 -7.404 0.254 6.680 255 HD11 ILE 17 HD11 ILE 17 -7.115 0.769 4.513 256 HD12 ILE 17 HD12 ILE 17 -8.010 0.990 3.004 257 HD13 ILE 17 HD13 ILE 17 -8.101 -0.541 3.862 258 HA PRO 18 HA PRO 18 -9.940 -3.849 9.234 259 HB2 PRO 18 HB2 PRO 18 -7.134 -3.398 10.057 260 HB3 PRO 18 HB1 PRO 18 -8.007 -4.903 9.820 261 HG2 PRO 18 HG2 PRO 18 -6.120 -4.027 8.082 262 HG3 PRO 18 HG1 PRO 18 -7.482 -5.052 7.614 263 HD2 PRO 18 HD2 PRO 18 -7.042 -2.154 7.139 264 HD3 PRO 18 HD1 PRO 18 -7.943 -3.343 6.178 265 H ALA 19 HN ALA 19 -10.754 -3.084 11.065 266 HA ALA 19 HA ALA 19 -10.644 -0.375 11.799 267 HB1 ALA 19 HB1 ALA 19 -11.863 -1.067 13.811 268 HB2 ALA 19 HB2 ALA 19 -11.489 -2.752 13.464 269 HB3 ALA 19 HB3 ALA 19 -12.530 -1.840 12.374 270 H THR 20 HN THR 20 -8.795 -3.150 12.682 271 HA THR 20 HA THR 20 -7.435 -2.230 14.903 272 HB THR 20 HB THR 20 -6.338 -3.993 12.703 273 HG1 THR 20 HG1 THR 20 -7.659 -5.489 13.424 274 HG21 THR 20 HG21 THR 20 -5.840 -3.976 15.687 275 HG22 THR 20 HG22 THR 20 -4.739 -3.292 14.500 276 HG23 THR 20 HG23 THR 20 -5.068 -5.030 14.501 277 H LEU 21 HN LEU 21 -6.801 -1.627 11.447 278 HA LEU 21 HA LEU 21 -4.372 -0.180 11.986 279 HB2 LEU 21 HB2 LEU 21 -5.917 -0.913 9.558 280 HB3 LEU 21 HB1 LEU 21 -4.831 0.456 9.467 281 HG LEU 21 HG LEU 21 -3.994 -1.707 8.686 282 HD11 LEU 21 HD11 LEU 21 -1.736 -1.399 9.801 283 HD12 LEU 21 HD12 LEU 21 -2.520 -0.354 10.989 284 HD13 LEU 21 HD13 LEU 21 -2.457 0.130 9.296 285 HD21 LEU 21 HD21 LEU 21 -3.104 -3.283 10.436 286 HD22 LEU 21 HD22 LEU 21 -4.877 -3.178 10.362 287 HD23 LEU 21 HD23 LEU 21 -3.988 -2.284 11.604 288 H MET 22 HN MET 22 -7.612 0.493 11.126 289 HA MET 22 HA MET 22 -7.670 3.246 10.856 290 HB2 MET 22 HB2 MET 22 -9.585 1.476 12.356 291 HB3 MET 22 HB1 MET 22 -9.911 3.169 12.055 292 HG2 MET 22 HG2 MET 22 -9.445 1.115 9.906 293 HG3 MET 22 HG1 MET 22 -11.029 1.588 10.513 294 HE1 MET 22 HE1 MET 22 -11.258 5.333 9.498 295 HE2 MET 22 HE2 MET 22 -10.631 4.690 11.016 296 HE3 MET 22 HE3 MET 22 -12.059 3.965 10.282 297 H GLN 23 HN GLN 23 -7.833 1.455 13.814 298 HA GLN 23 HA GLN 23 -7.523 3.788 15.438 299 HB2 GLN 23 HB2 GLN 23 -7.380 0.910 16.230 300 HB3 GLN 23 HB1 GLN 23 -7.486 2.305 17.302 301 HG2 GLN 23 HG2 GLN 23 -9.570 2.884 16.089 302 HG3 GLN 23 HG1 GLN 23 -9.518 1.290 15.365 303 HE21 GLN 23 HE21 GLN 23 -9.777 -0.568 16.673 304 HE22 GLN 23 HE22 GLN 23 -10.459 -0.473 18.246 305 H ALA 24 HN ALA 24 -5.289 1.744 13.857 306 HA ALA 24 HA ALA 24 -3.285 1.847 15.944 307 HB1 ALA 24 HB1 ALA 24 -3.302 -0.007 14.315 308 HB2 ALA 24 HB2 ALA 24 -1.762 0.851 14.304 309 HB3 ALA 24 HB3 ALA 24 -2.938 1.138 13.023 310 H LEU 25 HN LEU 25 -4.074 3.558 13.092 311 HA LEU 25 HA LEU 25 -1.869 5.437 13.353 312 HB2 LEU 25 HB2 LEU 25 -4.098 4.974 11.419 313 HB3 LEU 25 HB1 LEU 25 -3.055 6.368 11.313 314 HG LEU 25 HG LEU 25 -2.688 4.617 9.779 315 HD11 LEU 25 HD11 LEU 25 -0.115 4.529 10.029 316 HD12 LEU 25 HD12 LEU 25 -0.347 5.132 11.664 317 HD13 LEU 25 HD13 LEU 25 -0.809 6.129 10.287 318 HD21 LEU 25 HD21 LEU 25 -1.699 2.910 12.048 319 HD22 LEU 25 HD22 LEU 25 -1.392 2.562 10.341 320 HD23 LEU 25 HD23 LEU 25 -3.047 2.591 10.951 321 H ASN 26 HN ASN 26 -5.195 4.997 13.864 322 HA ASN 26 HA ASN 26 -6.864 6.053 14.863 323 HB2 ASN 26 HB2 ASN 26 -5.214 6.664 16.684 324 HB3 ASN 26 HB1 ASN 26 -4.871 8.152 15.825 325 HD21 ASN 26 HD21 ASN 26 -5.951 7.669 18.536 326 HD22 ASN 26 HD22 ASN 26 -7.426 8.544 18.619 327 H LEU 27 HN LEU 27 -7.354 6.238 12.598 328 HA LEU 27 HA LEU 27 -7.639 9.027 11.830 329 HB2 LEU 27 HB2 LEU 27 -7.722 8.273 9.593 330 HB3 LEU 27 HB1 LEU 27 -6.220 7.699 10.297 331 HG LEU 27 HG LEU 27 -8.314 5.717 10.513 332 HD11 LEU 27 HD11 LEU 27 -7.683 6.650 7.709 333 HD12 LEU 27 HD12 LEU 27 -9.189 6.905 8.568 334 HD13 LEU 27 HD13 LEU 27 -8.680 5.264 8.181 335 HD21 LEU 27 HD21 LEU 27 -5.956 5.220 10.693 336 HD22 LEU 27 HD22 LEU 27 -5.679 5.793 9.047 337 HD23 LEU 27 HD23 LEU 27 -6.640 4.342 9.323 338 H ASN 28 HN ASN 28 -9.669 9.236 10.472 339 HA ASN 28 HA ASN 28 -11.778 7.470 11.484 340 HB2 ASN 28 HB2 ASN 28 -11.810 10.493 11.448 341 HB3 ASN 28 HB1 ASN 28 -13.253 9.515 11.643 342 HD21 ASN 28 HD21 ASN 28 -10.391 10.729 13.149 343 HD22 ASN 28 HD22 ASN 28 -10.764 10.210 14.742 344 H ILE 29 HN ILE 29 -13.946 8.488 10.208 345 HA ILE 29 HA ILE 29 -13.404 7.755 7.491 346 HB ILE 29 HB ILE 29 -15.945 8.664 8.881 347 HG12 ILE 29 HG12 ILE 29 -15.110 6.513 9.667 348 HG13 ILE 29 HG11 ILE 29 -16.598 6.296 8.767 349 HG21 ILE 29 HG21 ILE 29 -15.705 7.521 6.103 350 HG22 ILE 29 HG22 ILE 29 -16.063 9.199 6.498 351 HG23 ILE 29 HG23 ILE 29 -17.210 7.938 6.934 352 HD11 ILE 29 HD11 ILE 29 -15.031 4.549 8.233 353 HD12 ILE 29 HD12 ILE 29 -13.796 5.726 7.805 354 HD13 ILE 29 HD13 ILE 29 -15.249 5.576 6.814 355 H ASP 30 HN ASP 30 -13.574 9.032 5.682 356 HA ASP 30 HA ASP 30 -13.304 10.797 4.383 357 HB2 ASP 30 HB2 ASP 30 -14.799 12.143 6.589 358 HB3 ASP 30 HB1 ASP 30 -13.985 13.164 5.408 359 H ASP 31 HN ASP 31 -11.302 9.816 6.158 360 HA ASP 31 HA ASP 31 -9.704 12.217 6.483 361 HB2 ASP 31 HB2 ASP 31 -9.900 10.340 8.273 362 HB3 ASP 31 HB1 ASP 31 -8.844 9.415 7.208 363 H GLU 32 HN GLU 32 -8.107 12.574 5.180 364 HA GLU 32 HA GLU 32 -8.104 11.451 2.605 365 HB2 GLU 32 HB2 GLU 32 -7.694 13.772 2.965 366 HB3 GLU 32 HB1 GLU 32 -6.357 13.462 4.028 367 HG2 GLU 32 HG2 GLU 32 -5.135 12.499 2.124 368 HG3 GLU 32 HG1 GLU 32 -6.496 12.927 1.081 369 H VAL 33 HN VAL 33 -6.674 10.027 1.667 370 HA VAL 33 HA VAL 33 -4.406 9.175 3.267 371 HB VAL 33 HB VAL 33 -4.686 6.817 2.862 372 HG11 VAL 33 HG11 VAL 33 -5.980 7.756 4.693 373 HG12 VAL 33 HG12 VAL 33 -6.715 6.291 3.973 374 HG13 VAL 33 HG13 VAL 33 -7.346 7.894 3.560 375 HG21 VAL 33 HG21 VAL 33 -5.565 6.945 0.632 376 HG22 VAL 33 HG22 VAL 33 -7.144 7.472 1.311 377 HG23 VAL 33 HG23 VAL 33 -6.521 5.854 1.647 378 H LYS 34 HN LYS 34 -2.679 8.370 2.185 379 HA LYS 34 HA LYS 34 -2.336 9.484 -0.512 380 HB2 LYS 34 HB2 LYS 34 -0.334 8.313 1.444 381 HB3 LYS 34 HB1 LYS 34 0.048 9.078 -0.086 382 HG2 LYS 34 HG2 LYS 34 -0.226 11.152 0.758 383 HG3 LYS 34 HG1 LYS 34 -1.491 10.653 1.881 384 HD2 LYS 34 HD2 LYS 34 0.557 11.265 3.081 385 HD3 LYS 34 HD1 LYS 34 0.173 9.568 3.303 386 HE2 LYS 34 HE2 LYS 34 2.542 9.775 2.961 387 HE3 LYS 34 HE1 LYS 34 1.842 9.027 1.534 388 HZ1 LYS 34 HZ1 LYS 34 2.037 11.035 0.337 389 HZ2 LYS 34 HZ2 LYS 34 3.510 10.752 1.094 390 HZ3 LYS 34 HZ3 LYS 34 2.425 11.918 1.729 391 H ILE 35 HN ILE 35 -2.411 8.147 -2.239 392 HA ILE 35 HA ILE 35 -1.621 5.341 -1.861 393 HB ILE 35 HB ILE 35 -3.568 6.375 -3.972 394 HG12 ILE 35 HG12 ILE 35 -5.168 4.665 -2.823 395 HG13 ILE 35 HG11 ILE 35 -4.092 4.816 -1.446 396 HG21 ILE 35 HG21 ILE 35 -3.893 4.027 -4.599 397 HG22 ILE 35 HG22 ILE 35 -2.635 3.569 -3.452 398 HG23 ILE 35 HG23 ILE 35 -2.238 4.584 -4.840 399 HD11 ILE 35 HD11 ILE 35 -6.039 6.231 -1.243 400 HD12 ILE 35 HD12 ILE 35 -5.606 7.044 -2.751 401 HD13 ILE 35 HD13 ILE 35 -4.557 7.188 -1.336 402 H ASP 36 HN ASP 36 0.429 5.263 -2.591 403 HA ASP 36 HA ASP 36 0.893 6.459 -5.230 404 HB2 ASP 36 HB2 ASP 36 2.053 7.733 -3.268 405 HB3 ASP 36 HB1 ASP 36 3.068 6.340 -3.130 406 H LEU 37 HN LEU 37 2.054 5.125 -6.770 407 HA LEU 37 HA LEU 37 2.235 2.454 -5.962 408 HB2 LEU 37 HB2 LEU 37 1.136 3.387 -8.084 409 HB3 LEU 37 HB1 LEU 37 2.773 3.821 -8.543 410 HG LEU 37 HG LEU 37 1.855 1.802 -9.660 411 HD11 LEU 37 HD11 LEU 37 4.325 1.492 -8.055 412 HD12 LEU 37 HD12 LEU 37 4.174 2.274 -9.622 413 HD13 LEU 37 HD13 LEU 37 3.925 0.513 -9.486 414 HD21 LEU 37 HD21 LEU 37 2.282 0.518 -6.991 415 HD22 LEU 37 HD22 LEU 37 1.701 -0.269 -8.473 416 HD23 LEU 37 HD23 LEU 37 0.727 0.975 -7.662 417 H VAL 38 HN VAL 38 4.023 1.603 -5.595 418 HA VAL 38 HA VAL 38 6.624 2.687 -6.400 419 HB VAL 38 HB VAL 38 6.046 2.131 -3.460 420 HG11 VAL 38 HG11 VAL 38 8.295 1.456 -4.061 421 HG12 VAL 38 HG12 VAL 38 8.337 2.881 -3.025 422 HG13 VAL 38 HG13 VAL 38 8.605 3.045 -4.762 423 HG21 VAL 38 HG21 VAL 38 5.140 4.304 -4.106 424 HG22 VAL 38 HG22 VAL 38 6.686 4.753 -4.816 425 HG23 VAL 38 HG23 VAL 38 6.557 4.520 -3.074 426 H ASP 39 HN ASP 39 7.786 1.048 -7.125 427 HA ASP 39 HA ASP 39 8.676 -1.000 -7.541 428 HB2 ASP 39 HB2 ASP 39 7.903 -1.569 -4.668 429 HB3 ASP 39 HB1 ASP 39 8.877 -2.640 -5.654 430 H GLY 40 HN GLY 40 5.764 -0.505 -7.803 431 HA2 GLY 40 HA2 GLY 40 4.208 -1.826 -8.985 432 HA3 GLY 40 HA1 GLY 40 5.070 -3.255 -8.449 433 H LYS 41 HN LYS 41 4.664 -1.482 -5.674 434 HA LYS 41 HA LYS 41 2.093 -2.810 -5.153 435 HB2 LYS 41 HB2 LYS 41 2.656 -2.780 -2.748 436 HB3 LYS 41 HB1 LYS 41 3.856 -3.702 -3.653 437 HG2 LYS 41 HG2 LYS 41 4.617 -0.933 -3.335 438 HG3 LYS 41 HG1 LYS 41 4.251 -1.679 -1.784 439 HD2 LYS 41 HD2 LYS 41 5.810 -3.486 -2.284 440 HD3 LYS 41 HD1 LYS 41 6.165 -2.748 -3.850 441 HE2 LYS 41 HE2 LYS 41 7.053 -0.771 -2.743 442 HE3 LYS 41 HE1 LYS 41 6.632 -1.441 -1.172 443 HZ1 LYS 41 HZ1 LYS 41 8.981 -1.716 -1.726 444 HZ2 LYS 41 HZ2 LYS 41 8.583 -2.680 -3.050 445 HZ3 LYS 41 HZ3 LYS 41 8.206 -3.185 -1.484 446 H LEU 42 HN LEU 42 0.580 -1.651 -3.740 447 HA LEU 42 HA LEU 42 0.834 1.173 -4.217 448 HB2 LEU 42 HB2 LEU 42 -1.474 -0.514 -3.265 449 HB3 LEU 42 HB1 LEU 42 -1.537 1.231 -3.363 450 HG LEU 42 HG LEU 42 -0.893 -0.425 -5.742 451 HD11 LEU 42 HD11 LEU 42 -3.059 -1.254 -4.828 452 HD12 LEU 42 HD12 LEU 42 -3.344 -0.343 -6.311 453 HD13 LEU 42 HD13 LEU 42 -3.652 0.403 -4.745 454 HD21 LEU 42 HD21 LEU 42 -2.021 1.494 -6.916 455 HD22 LEU 42 HD22 LEU 42 -0.524 1.932 -6.163 456 HD23 LEU 42 HD23 LEU 42 -2.063 2.344 -5.386 457 H ILE 43 HN ILE 43 1.577 2.320 -2.945 458 HA ILE 43 HA ILE 43 2.041 1.574 -0.183 459 HB ILE 43 HB ILE 43 2.745 3.960 -1.791 460 HG12 ILE 43 HG12 ILE 43 3.883 2.090 -2.617 461 HG13 ILE 43 HG11 ILE 43 5.071 3.089 -1.763 462 HG21 ILE 43 HG21 ILE 43 2.657 4.665 0.479 463 HG22 ILE 43 HG22 ILE 43 4.336 4.610 -0.028 464 HG23 ILE 43 HG23 ILE 43 3.687 3.321 1.007 465 HD11 ILE 43 HD11 ILE 43 3.808 0.504 -0.862 466 HD12 ILE 43 HD12 ILE 43 4.870 1.498 0.140 467 HD13 ILE 43 HD13 ILE 43 5.482 0.759 -1.340 468 H ILE 44 HN ILE 44 0.329 1.722 0.794 469 HA ILE 44 HA ILE 44 -1.264 4.153 0.608 470 HB ILE 44 HB ILE 44 -2.163 1.342 1.296 471 HG12 ILE 44 HG12 ILE 44 -2.884 3.267 -0.937 472 HG13 ILE 44 HG11 ILE 44 -1.890 1.833 -1.082 473 HG21 ILE 44 HG21 ILE 44 -4.431 2.281 1.599 474 HG22 ILE 44 HG22 ILE 44 -3.748 3.912 1.482 475 HG23 ILE 44 HG23 ILE 44 -3.267 2.837 2.803 476 HD11 ILE 44 HD11 ILE 44 -3.807 0.419 -0.660 477 HD12 ILE 44 HD12 ILE 44 -4.164 1.542 -1.971 478 HD13 ILE 44 HD13 ILE 44 -4.811 1.833 -0.358 479 H GLU 45 HN GLU 45 -0.693 5.399 2.040 480 HA GLU 45 HA GLU 45 -0.334 4.526 4.853 481 HB2 GLU 45 HB2 GLU 45 1.784 5.340 3.756 482 HB3 GLU 45 HB1 GLU 45 0.984 6.880 3.469 483 HG2 GLU 45 HG2 GLU 45 0.665 7.099 5.936 484 HG3 GLU 45 HG1 GLU 45 1.624 5.640 6.145 485 HA PRO 46 HA PRO 46 -3.978 7.255 5.186 486 HB2 PRO 46 HB2 PRO 46 -3.965 6.858 7.928 487 HB3 PRO 46 HB1 PRO 46 -4.924 5.933 6.753 488 HG2 PRO 46 HG2 PRO 46 -2.269 5.335 7.924 489 HG3 PRO 46 HG1 PRO 46 -3.721 4.293 7.705 490 HD2 PRO 46 HD2 PRO 46 -1.751 3.994 5.937 491 HD3 PRO 46 HD1 PRO 46 -3.410 4.210 5.388 492 H VAL 47 HN VAL 47 -4.070 9.181 6.204 493 HA VAL 47 HA VAL 47 -1.392 10.268 6.738 494 HB VAL 47 HB VAL 47 -3.817 11.897 6.057 495 HG11 VAL 47 HG11 VAL 47 -0.900 12.405 5.777 496 HG12 VAL 47 HG12 VAL 47 -1.926 13.073 7.077 497 HG13 VAL 47 HG13 VAL 47 -2.188 13.535 5.373 498 HG21 VAL 47 HG21 VAL 47 -1.747 10.786 4.211 499 HG22 VAL 47 HG22 VAL 47 -2.984 11.981 3.770 500 HG23 VAL 47 HG23 VAL 47 -3.461 10.365 4.326 501 H ARG 48 HN ARG 48 -1.041 10.313 8.746 502 HA ARG 48 HA ARG 48 -3.119 10.610 10.668 503 HB2 ARG 48 HB2 ARG 48 -0.139 10.621 10.984 504 HB3 ARG 48 HB1 ARG 48 -1.260 10.805 12.320 505 HG2 ARG 48 HG2 ARG 48 -2.208 8.586 11.735 506 HG3 ARG 48 HG1 ARG 48 -0.915 8.412 10.539 507 HD2 ARG 48 HD2 ARG 48 -0.256 7.336 12.608 508 HD3 ARG 48 HD1 ARG 48 0.728 8.783 12.302 509 HE ARG 48 HE ARG 48 -1.559 8.759 14.141 510 HH11 ARG 48 HH11 ARG 48 1.851 9.572 13.500 511 HH12 ARG 48 HH12 ARG 48 2.024 10.518 14.912 512 HH21 ARG 48 HH21 ARG 48 -1.244 10.047 16.082 513 HH22 ARG 48 HH22 ARG 48 0.281 10.751 16.410 514 H LYS 49 HN LYS 49 -3.460 12.245 12.001 515 HA LYS 49 HA LYS 49 -2.472 14.814 11.086 516 HB2 LYS 49 HB2 LYS 49 -5.049 13.977 12.378 517 HB3 LYS 49 HB1 LYS 49 -4.461 15.609 12.631 518 HG2 LYS 49 HG2 LYS 49 -6.126 15.454 10.806 519 HG3 LYS 49 HG1 LYS 49 -4.572 16.066 10.253 520 HD2 LYS 49 HD2 LYS 49 -4.020 13.899 9.329 521 HD3 LYS 49 HD1 LYS 49 -5.503 13.218 9.983 522 HE2 LYS 49 HE2 LYS 49 -6.822 14.679 8.549 523 HE3 LYS 49 HE1 LYS 49 -5.351 15.433 7.943 524 HZ1 LYS 49 HZ1 LYS 49 -6.255 13.796 6.425 525 HZ2 LYS 49 HZ2 LYS 49 -6.076 12.548 7.529 526 HZ3 LYS 49 HZ3 LYS 49 -4.718 13.354 6.915 527 H GLU 50 HN GLU 50 -0.703 15.007 12.088 528 HA GLU 50 HA GLU 50 -0.748 15.146 14.992 529 HB2 GLU 50 HB2 GLU 50 0.271 12.959 14.231 530 HB3 GLU 50 HB1 GLU 50 1.483 13.890 13.368 531 HG2 GLU 50 HG2 GLU 50 2.104 14.931 15.562 532 HG3 GLU 50 HG1 GLU 50 1.036 13.762 16.330 533 H1 ASN -16 HT1 ASN -16 14.583 11.888 13.416 534 H2 ASN -16 HT2 ASN -16 14.967 12.897 14.655 535 H3 ASN -16 HT3 ASN -16 14.026 11.527 14.981 536 HA ASN -16 HA ASN -16 16.327 11.314 15.723 537 HB2 ASN -16 HB2 ASN -16 16.953 9.223 14.516 538 HB3 ASN -16 HB1 ASN -16 15.265 9.216 14.991 539 HD21 ASN -16 HD21 ASN -16 13.675 9.266 13.395 540 HD22 ASN -16 HD22 ASN -16 14.057 9.047 11.736 541 H HIS -15 HN HIS -15 18.588 10.800 14.824 542 HA HIS -15 HA HIS -15 19.175 12.922 12.883 543 HB2 HIS -15 HB2 HIS -15 20.913 11.850 15.120 544 HB3 HIS -15 HB1 HIS -15 21.437 13.026 13.926 545 HD1 HIS -15 HD1 HIS -15 20.488 15.462 14.182 546 HD2 HIS -15 HD2 HIS -15 19.320 12.802 17.135 547 HE1 HIS -15 HE1 HIS -15 19.524 16.869 16.039 548 H LYS -14 HN LYS -14 21.453 12.498 11.874 549 HA LYS -14 HA LYS -14 22.713 11.337 10.426 550 HB2 LYS -14 HB2 LYS -14 21.842 8.939 12.064 551 HB3 LYS -14 HB1 LYS -14 23.110 8.906 10.846 552 HG2 LYS -14 HG2 LYS -14 24.434 10.485 12.165 553 HG3 LYS -14 HG1 LYS -14 23.153 10.556 13.369 554 HD2 LYS -14 HD2 LYS -14 24.634 8.049 12.598 555 HD3 LYS -14 HD1 LYS -14 25.062 9.062 13.974 556 HE2 LYS -14 HE2 LYS -14 22.798 8.673 14.904 557 HE3 LYS -14 HE1 LYS -14 22.448 7.610 13.544 558 HZ1 LYS -14 HZ1 LYS -14 24.293 6.190 14.274 559 HZ2 LYS -14 HZ2 LYS -14 23.101 6.333 15.445 560 HZ3 LYS -14 HZ3 LYS -14 24.534 7.192 15.611 561 H VAL -13 HN VAL -13 20.096 11.987 9.813 562 HA VAL -13 HA VAL -13 18.843 9.778 8.529 563 HB VAL -13 HB VAL -13 17.240 11.479 7.539 564 HG11 VAL -13 HG11 VAL -13 17.630 11.535 10.523 565 HG12 VAL -13 HG12 VAL -13 16.734 10.323 9.611 566 HG13 VAL -13 HG13 VAL -13 16.153 11.992 9.676 567 HG21 VAL -13 HG21 VAL -13 18.727 13.433 7.525 568 HG22 VAL -13 HG22 VAL -13 18.768 13.416 9.290 569 HG23 VAL -13 HG23 VAL -13 17.260 13.760 8.448 570 H HIS -12 HN HIS -12 20.097 8.897 7.084 571 HA HIS -12 HA HIS -12 21.246 10.526 4.973 572 HB2 HIS -12 HB2 HIS -12 22.360 8.421 4.222 573 HB3 HIS -12 HB1 HIS -12 22.733 8.843 5.882 574 HD1 HIS -12 HD1 HIS -12 22.259 7.034 7.647 575 HD2 HIS -12 HD2 HIS -12 20.576 6.193 3.935 576 HE1 HIS -12 HE1 HIS -12 21.415 4.669 7.767 577 H HIS -11 HN HIS -11 18.611 8.422 5.533 578 HA HIS -11 HA HIS -11 17.963 8.419 2.701 579 HB2 HIS -11 HB2 HIS -11 17.893 6.227 3.861 580 HB3 HIS -11 HB1 HIS -11 16.715 6.872 4.993 581 HD1 HIS -11 HD1 HIS -11 14.312 6.483 4.364 582 HD2 HIS -11 HD2 HIS -11 16.871 6.226 1.106 583 HE1 HIS -11 HE1 HIS -11 12.888 5.765 2.411 584 H HIS -10 HN HIS -10 17.173 10.382 2.364 585 HA HIS -10 HA HIS -10 14.625 10.983 3.496 586 HB2 HIS -10 HB2 HIS -10 15.175 13.218 4.351 587 HB3 HIS -10 HB1 HIS -10 16.180 12.037 5.168 588 HD1 HIS -10 HD1 HIS -10 18.832 12.289 4.792 589 HD2 HIS -10 HD2 HIS -10 16.470 15.027 2.750 590 HE1 HIS -10 HE1 HIS -10 20.392 13.997 3.859 591 H HIS -9 HN HIS -9 13.443 12.304 2.127 592 HA HIS -9 HA HIS -9 14.702 12.630 -0.459 593 HB2 HIS -9 HB2 HIS -9 12.370 12.840 -1.381 594 HB3 HIS -9 HB1 HIS -9 12.708 11.303 -0.615 595 HD1 HIS -9 HD1 HIS -9 10.128 13.750 -0.865 596 HD2 HIS -9 HD2 HIS -9 11.561 11.332 2.188 597 HE1 HIS -9 HE1 HIS -9 8.240 13.513 0.778 598 H HIS -8 HN HIS -8 15.608 14.329 1.200 599 HA HIS -8 HA HIS -8 16.243 16.441 1.468 600 HB2 HIS -8 HB2 HIS -8 14.382 17.047 -0.842 601 HB3 HIS -8 HB1 HIS -8 15.491 18.224 -0.135 602 HD1 HIS -8 HD1 HIS -8 15.444 16.451 -3.065 603 HD2 HIS -8 HD2 HIS -8 18.184 16.540 0.054 604 HE1 HIS -8 HE1 HIS -8 17.603 15.566 -4.006 605 H HIS -7 HN HIS -7 12.770 16.558 0.945 606 HA HIS -7 HA HIS -7 12.515 17.703 3.635 607 HB2 HIS -7 HB2 HIS -7 11.004 18.647 1.164 608 HB3 HIS -7 HB1 HIS -7 10.703 19.188 2.805 609 HD1 HIS -7 HD1 HIS -7 12.577 20.055 -0.192 610 HD2 HIS -7 HD2 HIS -7 12.994 20.687 3.894 611 HE1 HIS -7 HE1 HIS -7 14.163 21.990 0.054 612 H MET -6 HN MET -6 10.383 17.123 4.550 613 HA MET -6 HA MET -6 9.479 14.635 3.397 614 HB2 MET -6 HB2 MET -6 8.624 16.034 5.941 615 HB3 MET -6 HB1 MET -6 7.820 14.598 5.346 616 HG2 MET -6 HG2 MET -6 9.345 13.935 7.041 617 HG3 MET -6 HG1 MET -6 9.988 13.385 5.500 618 HE1 MET -6 HE1 MET -6 10.060 16.978 7.146 619 HE2 MET -6 HE2 MET -6 11.634 16.954 7.938 620 HE3 MET -6 HE3 MET -6 10.349 15.884 8.500 621 H SER -5 HN SER -5 8.994 15.907 1.511 622 HA SER -5 HA SER -5 6.698 17.557 1.426 623 HB2 SER -5 HB2 SER -5 8.507 17.776 -0.221 624 HB3 SER -5 HB1 SER -5 8.179 16.146 -0.805 625 HG SER -5 HG SER -5 7.017 18.452 -1.468 626 H ASP -4 HN ASP -4 4.841 16.686 1.992 627 HA ASP -4 HA ASP -4 4.106 14.031 1.321 628 HB2 ASP -4 HB2 ASP -4 3.011 14.979 3.211 629 HB3 ASP -4 HB1 ASP -4 2.510 16.391 2.285 630 H ASP -3 HN ASP -3 3.781 17.084 -0.060 631 HA ASP -3 HA ASP -3 1.755 16.744 -1.947 632 HB2 ASP -3 HB2 ASP -3 2.625 18.922 -1.454 633 HB3 ASP -3 HB1 ASP -3 4.218 18.477 -2.058 634 H ASP -2 HN ASP -2 5.231 16.128 -2.315 635 HA ASP -2 HA ASP -2 4.945 15.261 -5.047 636 HB2 ASP -2 HB2 ASP -2 7.024 16.324 -4.212 637 HB3 ASP -2 HB1 ASP -2 7.285 14.936 -3.167 638 H ASP -1 HN ASP -1 4.810 13.802 -1.984 639 HA ASP -1 HA ASP -1 5.214 11.075 -3.035 640 HB2 ASP -1 HB2 ASP -1 6.658 11.823 -1.178 641 HB3 ASP -1 HB1 ASP -1 5.246 12.222 -0.226 642 H LYS 0 HN LYS 0 2.738 12.832 -3.179 643 HA LYS 0 HA LYS 0 0.929 11.607 -1.268 644 HB2 LYS 0 HB2 LYS 0 1.045 14.093 -1.980 645 HB3 LYS 0 HB1 LYS 0 0.106 13.583 -3.367 646 HG2 LYS 0 HG2 LYS 0 -1.701 12.877 -1.953 647 HG3 LYS 0 HG1 LYS 0 -0.729 13.182 -0.505 648 HD2 LYS 0 HD2 LYS 0 -0.531 15.557 -1.236 649 HD3 LYS 0 HD1 LYS 0 -1.676 15.203 -2.524 650 HE2 LYS 0 HE2 LYS 0 -2.778 16.255 -0.620 651 HE3 LYS 0 HE1 LYS 0 -3.364 14.611 -0.852 652 HZ1 LYS 0 HZ1 LYS 0 -2.928 15.136 1.499 653 HZ2 LYS 0 HZ2 LYS 0 -1.267 15.342 1.151 654 HZ3 LYS 0 HZ3 LYS 0 -1.973 13.876 0.969 655 H GLY 1 HN GLY 1 1.389 11.735 -4.731 656 HA2 GLY 1 HA2 GLY 1 0.729 10.360 -6.393 657 HA3 GLY 1 HA1 GLY 1 0.232 9.209 -5.155 658 H ILE 2 HN ILE 2 -1.735 8.913 -4.878 659 HA ILE 2 HA ILE 2 -3.708 10.725 -6.093 660 HB ILE 2 HB ILE 2 -4.006 7.782 -5.382 661 HG12 ILE 2 HG12 ILE 2 -3.869 9.113 -8.104 662 HG13 ILE 2 HG11 ILE 2 -2.574 8.179 -7.363 663 HG21 ILE 2 HG21 ILE 2 -6.110 8.960 -5.105 664 HG22 ILE 2 HG22 ILE 2 -6.186 7.917 -6.527 665 HG23 ILE 2 HG23 ILE 2 -5.957 9.657 -6.718 666 HD11 ILE 2 HD11 ILE 2 -5.279 7.113 -8.149 667 HD12 ILE 2 HD12 ILE 2 -3.959 6.177 -7.449 668 HD13 ILE 2 HD13 ILE 2 -3.779 6.896 -9.051 669 H HIS 3 HN HIS 3 -4.807 11.874 -4.663 670 HA HIS 3 HA HIS 3 -4.743 10.913 -1.923 671 HB2 HIS 3 HB2 HIS 3 -4.885 13.084 -1.040 672 HB3 HIS 3 HB1 HIS 3 -3.887 13.293 -2.454 673 HD1 HIS 3 HD1 HIS 3 -6.183 15.134 -0.637 674 HD2 HIS 3 HD2 HIS 3 -5.966 14.334 -4.740 675 HE1 HIS 3 HE1 HIS 3 -7.505 16.897 -1.794 676 H SER 4 HN SER 4 -6.237 9.715 -1.420 677 HA SER 4 HA SER 4 -8.986 10.359 -2.226 678 HB2 SER 4 HB2 SER 4 -7.647 7.730 -1.707 679 HB3 SER 4 HB1 SER 4 -9.380 7.851 -1.862 680 HG SER 4 HG SER 4 -7.823 9.043 -3.832 681 H SER 5 HN SER 5 -10.231 8.603 -0.398 682 HA SER 5 HA SER 5 -9.300 9.361 2.219 683 HB2 SER 5 HB2 SER 5 -11.997 10.251 1.151 684 HB3 SER 5 HB1 SER 5 -11.425 10.447 2.809 685 HG SER 5 HG SER 5 -9.614 11.405 1.104 686 H VAL 6 HN VAL 6 -10.423 8.195 3.824 687 HA VAL 6 HA VAL 6 -11.500 5.656 2.911 688 HB VAL 6 HB VAL 6 -11.168 6.698 5.736 689 HG11 VAL 6 HG11 VAL 6 -11.266 4.349 6.394 690 HG12 VAL 6 HG12 VAL 6 -11.564 3.889 4.715 691 HG13 VAL 6 HG13 VAL 6 -12.748 4.863 5.590 692 HG21 VAL 6 HG21 VAL 6 -9.056 6.682 4.765 693 HG22 VAL 6 HG22 VAL 6 -9.379 5.150 3.955 694 HG23 VAL 6 HG23 VAL 6 -9.147 5.180 5.715 695 H LYS 7 HN LYS 7 -13.664 5.305 2.685 696 HA LYS 7 HA LYS 7 -15.388 7.288 3.948 697 HB2 LYS 7 HB2 LYS 7 -15.751 5.643 1.442 698 HB3 LYS 7 HB1 LYS 7 -16.977 6.716 2.183 699 HG2 LYS 7 HG2 LYS 7 -14.320 7.663 1.189 700 HG3 LYS 7 HG1 LYS 7 -15.759 7.586 0.168 701 HD2 LYS 7 HD2 LYS 7 -16.927 8.953 1.888 702 HD3 LYS 7 HD1 LYS 7 -15.376 9.183 2.690 703 HE2 LYS 7 HE2 LYS 7 -14.467 10.289 0.770 704 HE3 LYS 7 HE1 LYS 7 -15.893 9.898 -0.188 705 HZ1 LYS 7 HZ1 LYS 7 -15.917 12.192 0.579 706 HZ2 LYS 7 HZ2 LYS 7 -15.863 11.721 2.179 707 HZ3 LYS 7 HZ3 LYS 7 -17.205 11.337 1.231 708 H ARG 8 HN ARG 8 -17.671 6.149 4.288 709 HA ARG 8 HA ARG 8 -17.014 3.654 5.686 710 HB2 ARG 8 HB2 ARG 8 -17.634 5.465 7.189 711 HB3 ARG 8 HB1 ARG 8 -19.170 5.663 6.349 712 HG2 ARG 8 HG2 ARG 8 -19.855 3.442 7.075 713 HG3 ARG 8 HG1 ARG 8 -18.276 3.212 7.832 714 HD2 ARG 8 HD2 ARG 8 -20.084 5.469 8.567 715 HD3 ARG 8 HD1 ARG 8 -20.209 3.890 9.345 716 HE ARG 8 HE ARG 8 -17.647 4.394 9.740 717 HH11 ARG 8 HH11 ARG 8 -20.273 6.753 10.019 718 HH12 ARG 8 HH12 ARG 8 -19.580 7.560 11.353 719 HH21 ARG 8 HH21 ARG 8 -16.732 5.484 11.552 720 HH22 ARG 8 HH22 ARG 8 -17.532 6.819 12.263 721 H TRP 9 HN TRP 9 -17.740 1.913 4.780 722 HA TRP 9 HA TRP 9 -20.135 1.958 3.086 723 HB2 TRP 9 HB2 TRP 9 -17.932 1.138 2.151 724 HB3 TRP 9 HB1 TRP 9 -17.928 -0.071 3.385 725 HD1 TRP 9 HD1 TRP 9 -21.349 0.199 1.937 726 HE1 TRP 9 HE1 TRP 9 -21.748 -1.673 0.294 727 HE3 TRP 9 HE3 TRP 9 -16.480 -1.673 1.363 728 HZ2 TRP 9 HZ2 TRP 9 -20.370 -3.691 -0.969 729 HZ3 TRP 9 HZ3 TRP 9 -16.208 -3.490 0.007 730 HH2 TRP 9 HH2 TRP 9 -18.157 -4.533 -1.228 731 H GLY 10 HN GLY 10 -21.715 1.835 4.613 732 HA2 GLY 10 HA2 GLY 10 -23.151 0.666 5.962 733 HA3 GLY 10 HA1 GLY 10 -22.018 -0.687 5.956 734 H ASN 11 HN ASN 11 -21.289 -1.081 7.896 735 HA ASN 11 HA ASN 11 -20.535 1.225 9.542 736 HB2 ASN 11 HB2 ASN 11 -20.655 -0.232 11.493 737 HB3 ASN 11 HB1 ASN 11 -22.169 -0.302 10.607 738 HD21 ASN 11 HD21 ASN 11 -21.108 -2.166 12.530 739 HD22 ASN 11 HD22 ASN 11 -20.944 -3.686 11.729 740 H SER 12 HN SER 12 -18.806 0.145 7.264 741 HA SER 12 HA SER 12 -16.564 -0.491 8.911 742 HB2 SER 12 HB2 SER 12 -17.361 -1.948 6.392 743 HB3 SER 12 HB1 SER 12 -15.877 -2.207 7.316 744 HG SER 12 HG SER 12 -17.727 -2.424 9.073 745 HA PRO 13 HA PRO 13 -14.832 2.700 6.336 746 HB2 PRO 13 HB2 PRO 13 -12.198 2.075 6.858 747 HB3 PRO 13 HB1 PRO 13 -13.212 3.053 7.919 748 HG2 PRO 13 HG2 PRO 13 -12.468 0.176 8.134 749 HG3 PRO 13 HG1 PRO 13 -12.692 1.382 9.411 750 HD2 PRO 13 HD2 PRO 13 -14.552 -0.513 8.807 751 HD3 PRO 13 HD1 PRO 13 -14.984 1.072 9.464 752 H ALA 14 HN ALA 14 -14.554 2.642 4.196 753 HA ALA 14 HA ALA 14 -13.156 0.385 2.986 754 HB1 ALA 14 HB1 ALA 14 -15.735 1.599 2.021 755 HB2 ALA 14 HB2 ALA 14 -15.555 0.012 2.763 756 HB3 ALA 14 HB3 ALA 14 -14.807 0.343 1.201 757 H VAL 15 HN VAL 15 -11.936 0.967 1.208 758 HA VAL 15 HA VAL 15 -12.039 3.784 0.496 759 HB VAL 15 HB VAL 15 -9.979 3.321 1.821 760 HG11 VAL 15 HG11 VAL 15 -9.212 1.487 -0.420 761 HG12 VAL 15 HG12 VAL 15 -9.581 1.029 1.242 762 HG13 VAL 15 HG13 VAL 15 -8.152 2.005 0.890 763 HG21 VAL 15 HG21 VAL 15 -9.457 4.026 -1.063 764 HG22 VAL 15 HG22 VAL 15 -8.345 4.331 0.270 765 HG23 VAL 15 HG23 VAL 15 -9.917 5.137 0.228 766 H ARG 16 HN ARG 16 -11.953 4.252 -1.638 767 HA ARG 16 HA ARG 16 -12.748 2.113 -3.372 768 HB2 ARG 16 HB2 ARG 16 -12.539 5.083 -3.678 769 HB3 ARG 16 HB1 ARG 16 -13.080 4.027 -4.997 770 HG2 ARG 16 HG2 ARG 16 -14.955 3.350 -3.668 771 HG3 ARG 16 HG1 ARG 16 -14.338 4.272 -2.281 772 HD2 ARG 16 HD2 ARG 16 -14.565 6.312 -3.549 773 HD3 ARG 16 HD1 ARG 16 -15.194 5.414 -4.934 774 HE ARG 16 HE ARG 16 -16.900 4.701 -3.032 775 HH11 ARG 16 HH11 ARG 16 -15.678 7.921 -3.824 776 HH12 ARG 16 HH12 ARG 16 -17.084 8.748 -3.404 777 HH21 ARG 16 HH21 ARG 16 -18.922 5.851 -2.431 778 HH22 ARG 16 HH22 ARG 16 -18.978 7.526 -2.641 779 H ILE 17 HN ILE 17 -11.491 1.052 -4.683 780 HA ILE 17 HA ILE 17 -8.713 1.816 -5.049 781 HB ILE 17 HB ILE 17 -10.261 -0.586 -6.098 782 HG12 ILE 17 HG12 ILE 17 -10.020 -0.750 -3.697 783 HG13 ILE 17 HG11 ILE 17 -8.962 -1.917 -4.461 784 HG21 ILE 17 HG21 ILE 17 -8.386 -0.079 -7.569 785 HG22 ILE 17 HG22 ILE 17 -8.103 -1.585 -6.695 786 HG23 ILE 17 HG23 ILE 17 -7.280 -0.108 -6.193 787 HD11 ILE 17 HD11 ILE 17 -7.842 -0.935 -2.606 788 HD12 ILE 17 HD12 ILE 17 -8.188 0.685 -3.175 789 HD13 ILE 17 HD13 ILE 17 -7.063 -0.338 -4.076 790 HA PRO 18 HA PRO 18 -9.708 4.012 -8.837 791 HB2 PRO 18 HB2 PRO 18 -6.904 3.484 -9.605 792 HB3 PRO 18 HB1 PRO 18 -7.753 5.010 -9.410 793 HG2 PRO 18 HG2 PRO 18 -5.906 4.153 -7.629 794 HG3 PRO 18 HG1 PRO 18 -7.272 5.190 -7.199 795 HD2 PRO 18 HD2 PRO 18 -6.863 2.291 -6.687 796 HD3 PRO 18 HD1 PRO 18 -7.755 3.500 -5.741 797 H ALA 19 HN ALA 19 -10.491 3.250 -10.680 798 HA ALA 19 HA ALA 19 -10.435 0.532 -11.404 799 HB1 ALA 19 HB1 ALA 19 -11.583 1.256 -13.460 800 HB2 ALA 19 HB2 ALA 19 -11.182 2.932 -13.087 801 HB3 ALA 19 HB3 ALA 19 -12.274 2.033 -12.035 802 H THR 20 HN THR 20 -8.484 3.251 -12.240 803 HA THR 20 HA THR 20 -7.117 2.378 -14.471 804 HB THR 20 HB THR 20 -5.964 3.962 -12.175 805 HG1 THR 20 HG1 THR 20 -7.218 5.293 -14.237 806 HG21 THR 20 HG21 THR 20 -5.600 4.145 -15.175 807 HG22 THR 20 HG22 THR 20 -4.475 3.387 -14.054 808 HG23 THR 20 HG23 THR 20 -4.774 5.129 -13.958 809 H LEU 21 HN LEU 21 -6.595 1.717 -10.997 810 HA LEU 21 HA LEU 21 -4.186 0.214 -11.457 811 HB2 LEU 21 HB2 LEU 21 -5.758 1.028 -9.076 812 HB3 LEU 21 HB1 LEU 21 -4.709 -0.367 -8.939 813 HG LEU 21 HG LEU 21 -3.839 1.786 -8.179 814 HD11 LEU 21 HD11 LEU 21 -1.559 1.399 -9.203 815 HD12 LEU 21 HD12 LEU 21 -2.323 0.377 -10.422 816 HD13 LEU 21 HD13 LEU 21 -2.340 -0.109 -8.728 817 HD21 LEU 21 HD21 LEU 21 -2.863 3.318 -9.918 818 HD22 LEU 21 HD22 LEU 21 -4.636 3.255 -9.896 819 HD23 LEU 21 HD23 LEU 21 -3.735 2.337 -11.109 820 H MET 22 HN MET 22 -7.460 -0.373 -10.646 821 HA MET 22 HA MET 22 -7.581 -3.126 -10.337 822 HB2 MET 22 HB2 MET 22 -9.444 -1.313 -11.856 823 HB3 MET 22 HB1 MET 22 -9.807 -2.998 -11.570 824 HG2 MET 22 HG2 MET 22 -9.334 -0.964 -9.402 825 HG3 MET 22 HG1 MET 22 -10.914 -1.422 -10.033 826 HE1 MET 22 HE1 MET 22 -11.232 -5.147 -9.038 827 HE2 MET 22 HE2 MET 22 -10.565 -4.513 -10.544 828 HE3 MET 22 HE3 MET 22 -11.990 -3.758 -9.833 829 H GLN 23 HN GLN 23 -7.670 -1.351 -13.314 830 HA GLN 23 HA GLN 23 -7.384 -3.715 -14.892 831 HB2 GLN 23 HB2 GLN 23 -7.213 -0.855 -15.762 832 HB3 GLN 23 HB1 GLN 23 -7.369 -2.291 -16.776 833 HG2 GLN 23 HG2 GLN 23 -9.443 -2.790 -15.505 834 HG3 GLN 23 HG1 GLN 23 -9.348 -1.174 -14.836 835 HE21 GLN 23 HE21 GLN 23 -9.604 0.626 -16.194 836 HE22 GLN 23 HE22 GLN 23 -10.363 0.493 -17.733 837 H ALA 24 HN ALA 24 -5.164 -1.654 -13.332 838 HA ALA 24 HA ALA 24 -3.106 -1.786 -15.348 839 HB1 ALA 24 HB1 ALA 24 -3.123 -0.002 -13.627 840 HB2 ALA 24 HB2 ALA 24 -1.604 -0.897 -13.643 841 HB3 ALA 24 HB3 ALA 24 -2.803 -1.221 -12.394 842 H LEU 25 HN LEU 25 -3.981 -3.499 -12.525 843 HA LEU 25 HA LEU 25 -1.816 -5.426 -12.778 844 HB2 LEU 25 HB2 LEU 25 -4.045 -4.927 -10.859 845 HB3 LEU 25 HB1 LEU 25 -3.034 -6.342 -10.748 846 HG LEU 25 HG LEU 25 -2.655 -4.589 -9.215 847 HD11 LEU 25 HD11 LEU 25 -0.068 -4.592 -9.429 848 HD12 LEU 25 HD12 LEU 25 -0.303 -5.215 -11.055 849 HD13 LEU 25 HD13 LEU 25 -0.814 -6.172 -9.671 850 HD21 LEU 25 HD21 LEU 25 -1.550 -2.951 -11.477 851 HD22 LEU 25 HD22 LEU 25 -1.283 -2.584 -9.764 852 HD23 LEU 25 HD23 LEU 25 -2.917 -2.571 -10.425 853 H ASN 26 HN ASN 26 -5.109 -4.932 -13.353 854 HA ASN 26 HA ASN 26 -6.801 -5.986 -14.310 855 HB2 ASN 26 HB2 ASN 26 -5.179 -6.666 -16.149 856 HB3 ASN 26 HB1 ASN 26 -4.909 -8.172 -15.284 857 HD21 ASN 26 HD21 ASN 26 -5.947 -7.924 -17.966 858 HD22 ASN 26 HD22 ASN 26 -7.535 -8.583 -17.955 859 H LEU 27 HN LEU 27 -7.307 -6.157 -12.078 860 HA LEU 27 HA LEU 27 -7.645 -8.940 -11.309 861 HB2 LEU 27 HB2 LEU 27 -7.792 -8.153 -9.076 862 HB3 LEU 27 HB1 LEU 27 -6.239 -7.668 -9.738 863 HG LEU 27 HG LEU 27 -8.244 -5.598 -10.027 864 HD11 LEU 27 HD11 LEU 27 -8.397 -5.083 -7.609 865 HD12 LEU 27 HD12 LEU 27 -7.757 -6.713 -7.277 866 HD13 LEU 27 HD13 LEU 27 -9.276 -6.509 -8.137 867 HD21 LEU 27 HD21 LEU 27 -5.888 -5.179 -10.218 868 HD22 LEU 27 HD22 LEU 27 -5.604 -5.770 -8.579 869 HD23 LEU 27 HD23 LEU 27 -6.515 -4.280 -8.839 870 H ASN 28 HN ASN 28 -9.723 -9.069 -9.972 871 HA ASN 28 HA ASN 28 -11.731 -7.229 -11.037 872 HB2 ASN 28 HB2 ASN 28 -11.914 -10.246 -10.974 873 HB3 ASN 28 HB1 ASN 28 -13.301 -9.211 -11.256 874 HD21 ASN 28 HD21 ASN 28 -10.445 -10.600 -12.581 875 HD22 ASN 28 HD22 ASN 28 -10.685 -10.076 -14.205 876 H ILE 29 HN ILE 29 -13.915 -8.007 -9.814 877 HA ILE 29 HA ILE 29 -13.428 -7.394 -7.068 878 HB ILE 29 HB ILE 29 -15.954 -8.277 -8.493 879 HG12 ILE 29 HG12 ILE 29 -15.100 -6.152 -9.301 880 HG13 ILE 29 HG11 ILE 29 -16.588 -5.905 -8.402 881 HG21 ILE 29 HG21 ILE 29 -15.741 -7.102 -5.725 882 HG22 ILE 29 HG22 ILE 29 -16.112 -8.781 -6.104 883 HG23 ILE 29 HG23 ILE 29 -17.237 -7.510 -6.572 884 HD11 ILE 29 HD11 ILE 29 -14.989 -4.170 -7.896 885 HD12 ILE 29 HD12 ILE 29 -13.780 -5.366 -7.446 886 HD13 ILE 29 HD13 ILE 29 -15.233 -5.172 -6.465 887 H ASP 30 HN ASP 30 -13.691 -8.700 -5.264 888 HA ASP 30 HA ASP 30 -13.543 -10.493 -3.986 889 HB2 ASP 30 HB2 ASP 30 -15.088 -11.649 -6.235 890 HB3 ASP 30 HB1 ASP 30 -14.235 -12.807 -5.218 891 H ASP 31 HN ASP 31 -11.408 -9.583 -5.670 892 HA ASP 31 HA ASP 31 -9.918 -12.061 -5.960 893 HB2 ASP 31 HB2 ASP 31 -10.008 -10.152 -7.756 894 HB3 ASP 31 HB1 ASP 31 -8.888 -9.326 -6.677 895 H GLU 32 HN GLU 32 -8.249 -12.405 -4.668 896 HA GLU 32 HA GLU 32 -8.294 -11.262 -2.088 897 HB2 GLU 32 HB2 GLU 32 -7.925 -13.599 -2.434 898 HB3 GLU 32 HB1 GLU 32 -6.543 -13.314 -3.449 899 HG2 GLU 32 HG2 GLU 32 -5.408 -12.314 -1.487 900 HG3 GLU 32 HG1 GLU 32 -6.797 -12.794 -0.505 901 H VAL 33 HN VAL 33 -6.862 -9.829 -1.155 902 HA VAL 33 HA VAL 33 -4.532 -9.089 -2.721 903 HB VAL 33 HB VAL 33 -4.769 -6.714 -2.388 904 HG11 VAL 33 HG11 VAL 33 -6.110 -7.601 -4.249 905 HG12 VAL 33 HG12 VAL 33 -6.817 -6.146 -3.516 906 HG13 VAL 33 HG13 VAL 33 -7.471 -7.729 -3.117 907 HG21 VAL 33 HG21 VAL 33 -5.645 -6.730 -0.146 908 HG22 VAL 33 HG22 VAL 33 -7.231 -7.266 -0.781 909 HG23 VAL 33 HG23 VAL 33 -6.598 -5.673 -1.192 910 H LYS 34 HN LYS 34 -2.719 -8.342 -1.581 911 HA LYS 34 HA LYS 34 -2.546 -9.432 1.120 912 HB2 LYS 34 HB2 LYS 34 -0.422 -8.278 -0.709 913 HB3 LYS 34 HB1 LYS 34 -0.143 -9.102 0.808 914 HG2 LYS 34 HG2 LYS 34 -0.305 -11.118 -0.133 915 HG3 LYS 34 HG1 LYS 34 -1.650 -10.654 -1.178 916 HD2 LYS 34 HD2 LYS 34 0.307 -11.158 -2.516 917 HD3 LYS 34 HD1 LYS 34 -0.081 -9.447 -2.642 918 HE2 LYS 34 HE2 LYS 34 2.317 -9.688 -2.443 919 HE3 LYS 34 HE1 LYS 34 1.697 -8.995 -0.945 920 HZ1 LYS 34 HZ1 LYS 34 1.948 -11.004 0.156 921 HZ2 LYS 34 HZ2 LYS 34 3.377 -10.773 -0.682 922 HZ3 LYS 34 HZ3 LYS 34 2.185 -11.882 -1.270 923 H ILE 35 HN ILE 35 -2.607 -8.098 2.854 924 HA ILE 35 HA ILE 35 -1.757 -5.309 2.489 925 HB ILE 35 HB ILE 35 -3.772 -6.290 4.561 926 HG12 ILE 35 HG12 ILE 35 -5.324 -4.565 3.361 927 HG13 ILE 35 HG11 ILE 35 -4.225 -4.757 2.004 928 HG21 ILE 35 HG21 ILE 35 -4.077 -3.931 5.151 929 HG22 ILE 35 HG22 ILE 35 -2.783 -3.503 4.033 930 HG23 ILE 35 HG23 ILE 35 -2.435 -4.507 5.441 931 HD11 ILE 35 HD11 ILE 35 -6.221 -6.156 1.809 932 HD12 ILE 35 HD12 ILE 35 -5.770 -6.956 3.323 933 HD13 ILE 35 HD13 ILE 35 -4.735 -7.109 1.900 934 H ASP 36 HN ASP 36 0.260 -5.283 3.262 935 HA ASP 36 HA ASP 36 0.702 -6.499 5.906 936 HB2 ASP 36 HB2 ASP 36 1.805 -7.802 3.927 937 HB3 ASP 36 HB1 ASP 36 2.826 -6.427 3.739 938 H LEU 37 HN LEU 37 1.813 -5.116 7.422 939 HA LEU 37 HA LEU 37 2.098 -2.478 6.556 940 HB2 LEU 37 HB2 LEU 37 0.963 -3.318 8.671 941 HB3 LEU 37 HB1 LEU 37 2.573 -3.821 9.163 942 HG LEU 37 HG LEU 37 1.735 -1.744 10.243 943 HD11 LEU 37 HD11 LEU 37 4.225 -1.522 8.651 944 HD12 LEU 37 HD12 LEU 37 4.043 -2.298 10.215 945 HD13 LEU 37 HD13 LEU 37 3.843 -0.531 10.076 946 HD21 LEU 37 HD21 LEU 37 2.211 -0.520 7.556 947 HD22 LEU 37 HD22 LEU 37 1.654 0.311 9.025 948 HD23 LEU 37 HD23 LEU 37 0.641 -0.913 8.232 949 H VAL 38 HN VAL 38 3.906 -1.669 6.194 950 HA VAL 38 HA VAL 38 6.472 -2.793 7.065 951 HB VAL 38 HB VAL 38 5.967 -2.261 4.112 952 HG11 VAL 38 HG11 VAL 38 8.227 -1.625 4.740 953 HG12 VAL 38 HG12 VAL 38 8.269 -3.084 3.748 954 HG13 VAL 38 HG13 VAL 38 8.482 -3.198 5.494 955 HG21 VAL 38 HG21 VAL 38 5.015 -4.414 4.793 956 HG22 VAL 38 HG22 VAL 38 6.566 -4.880 5.494 957 HG23 VAL 38 HG23 VAL 38 6.419 -4.655 3.752 958 H ASP 39 HN ASP 39 7.648 -1.148 7.809 959 HA ASP 39 HA ASP 39 8.505 0.907 8.220 960 HB2 ASP 39 HB2 ASP 39 8.131 1.166 5.233 961 HB3 ASP 39 HB1 ASP 39 8.880 2.427 6.194 962 H GLY 40 HN GLY 40 5.688 0.564 8.508 963 HA2 GLY 40 HA2 GLY 40 4.144 1.995 9.484 964 HA3 GLY 40 HA1 GLY 40 5.062 3.363 8.877 965 H LYS 41 HN LYS 41 4.613 1.450 6.218 966 HA LYS 41 HA LYS 41 2.074 2.807 5.664 967 HB2 LYS 41 HB2 LYS 41 2.634 2.724 3.260 968 HB3 LYS 41 HB1 LYS 41 3.810 3.681 4.156 969 HG2 LYS 41 HG2 LYS 41 4.562 0.884 3.836 970 HG3 LYS 41 HG1 LYS 41 4.314 1.710 2.302 971 HD2 LYS 41 HD2 LYS 41 5.887 3.476 3.049 972 HD3 LYS 41 HD1 LYS 41 6.169 2.558 4.535 973 HE2 LYS 41 HE2 LYS 41 7.045 0.692 3.264 974 HE3 LYS 41 HE1 LYS 41 6.657 1.497 1.748 975 HZ1 LYS 41 HZ1 LYS 41 8.978 1.681 2.253 976 HZ2 LYS 41 HZ2 LYS 41 8.697 2.423 3.730 977 HZ3 LYS 41 HZ3 LYS 41 8.294 3.198 2.286 978 H LEU 42 HN LEU 42 0.524 1.644 4.350 979 HA LEU 42 HA LEU 42 0.704 -1.166 4.871 980 HB2 LEU 42 HB2 LEU 42 -1.502 0.595 3.840 981 HB3 LEU 42 HB1 LEU 42 -1.634 -1.152 3.925 982 HG LEU 42 HG LEU 42 -0.963 0.507 6.285 983 HD11 LEU 42 HD11 LEU 42 -3.173 1.241 5.408 984 HD12 LEU 42 HD12 LEU 42 -3.390 0.336 6.906 985 HD13 LEU 42 HD13 LEU 42 -3.712 -0.436 5.353 986 HD21 LEU 42 HD21 LEU 42 -1.833 -1.448 7.518 987 HD22 LEU 42 HD22 LEU 42 -0.450 -1.837 6.502 988 HD23 LEU 42 HD23 LEU 42 -2.077 -2.275 5.982 989 H ILE 43 HN ILE 43 1.498 -2.349 3.592 990 HA ILE 43 HA ILE 43 1.994 -1.634 0.831 991 HB ILE 43 HB ILE 43 2.635 -4.017 2.458 992 HG12 ILE 43 HG12 ILE 43 3.821 -2.167 3.262 993 HG13 ILE 43 HG11 ILE 43 4.988 -3.196 2.420 994 HG21 ILE 43 HG21 ILE 43 2.537 -4.751 0.191 995 HG22 ILE 43 HG22 ILE 43 4.216 -4.734 0.695 996 HG23 ILE 43 HG23 ILE 43 3.597 -3.439 -0.350 997 HD11 ILE 43 HD11 ILE 43 3.784 -0.597 1.491 998 HD12 ILE 43 HD12 ILE 43 4.806 -1.626 0.486 999 HD13 ILE 43 HD13 ILE 43 5.455 -0.896 1.956 1000 H ILE 44 HN ILE 44 0.307 -1.742 -0.168 1001 HA ILE 44 HA ILE 44 -1.369 -4.120 -0.021 1002 HB ILE 44 HB ILE 44 -2.153 -1.282 -0.716 1003 HG12 ILE 44 HG12 ILE 44 -3.013 -3.193 1.477 1004 HG13 ILE 44 HG11 ILE 44 -1.960 -1.807 1.666 1005 HG21 ILE 44 HG21 ILE 44 -4.436 -2.127 -1.102 1006 HG22 ILE 44 HG22 ILE 44 -3.834 -3.786 -0.952 1007 HG23 ILE 44 HG23 ILE 44 -3.267 -2.750 -2.268 1008 HD11 ILE 44 HD11 ILE 44 -3.800 -0.304 1.194 1009 HD12 ILE 44 HD12 ILE 44 -4.235 -1.413 2.493 1010 HD13 ILE 44 HD13 ILE 44 -4.859 -1.674 0.865 1011 H GLU 45 HN GLU 45 -0.866 -5.385 -1.466 1012 HA GLU 45 HA GLU 45 -0.436 -4.493 -4.250 1013 HB2 GLU 45 HB2 GLU 45 1.688 -5.225 -3.176 1014 HB3 GLU 45 HB1 GLU 45 0.933 -6.762 -2.787 1015 HG2 GLU 45 HG2 GLU 45 0.624 -7.169 -5.216 1016 HG3 GLU 45 HG1 GLU 45 1.511 -5.681 -5.537 1017 HA PRO 46 HA PRO 46 -4.060 -7.219 -4.617 1018 HB2 PRO 46 HB2 PRO 46 -3.964 -6.907 -7.376 1019 HB3 PRO 46 HB1 PRO 46 -4.963 -5.970 -6.252 1020 HG2 PRO 46 HG2 PRO 46 -2.289 -5.385 -7.359 1021 HG3 PRO 46 HG1 PRO 46 -3.743 -4.337 -7.187 1022 HD2 PRO 46 HD2 PRO 46 -1.809 -4.004 -5.386 1023 HD3 PRO 46 HD1 PRO 46 -3.473 -4.209 -4.855 1024 H VAL 47 HN VAL 47 -4.160 -9.182 -5.576 1025 HA VAL 47 HA VAL 47 -1.486 -10.323 -6.061 1026 HB VAL 47 HB VAL 47 -3.928 -11.936 -5.373 1027 HG11 VAL 47 HG11 VAL 47 -1.020 -12.475 -5.108 1028 HG12 VAL 47 HG12 VAL 47 -2.074 -13.153 -6.382 1029 HG13 VAL 47 HG13 VAL 47 -2.316 -13.582 -4.659 1030 HG21 VAL 47 HG21 VAL 47 -1.868 -10.801 -3.530 1031 HG22 VAL 47 HG22 VAL 47 -3.002 -12.081 -3.085 1032 HG23 VAL 47 HG23 VAL 47 -3.615 -10.487 -3.571 1033 H ARG 48 HN ARG 48 -1.133 -10.374 -8.068 1034 HA ARG 48 HA ARG 48 -3.185 -10.688 -10.013 1035 HB2 ARG 48 HB2 ARG 48 -0.209 -10.671 -10.301 1036 HB3 ARG 48 HB1 ARG 48 -1.318 -10.829 -11.646 1037 HG2 ARG 48 HG2 ARG 48 -2.283 -8.631 -11.034 1038 HG3 ARG 48 HG1 ARG 48 -1.011 -8.470 -9.815 1039 HD2 ARG 48 HD2 ARG 48 -0.348 -7.366 -11.878 1040 HD3 ARG 48 HD1 ARG 48 0.665 -8.787 -11.546 1041 HE ARG 48 HE ARG 48 -1.597 -8.863 -13.409 1042 HH11 ARG 48 HH11 ARG 48 1.833 -9.563 -12.704 1043 HH12 ARG 48 HH12 ARG 48 2.036 -10.466 -14.151 1044 HH21 ARG 48 HH21 ARG 48 -1.241 -10.132 -15.313 1045 HH22 ARG 48 HH22 ARG 48 0.294 -10.801 -15.639 1046 H LYS 49 HN LYS 49 -3.483 -12.323 -11.410 1047 HA LYS 49 HA LYS 49 -2.465 -14.898 -10.518 1048 HB2 LYS 49 HB2 LYS 49 -5.048 -14.071 -11.797 1049 HB3 LYS 49 HB1 LYS 49 -4.460 -15.705 -12.037 1050 HG2 LYS 49 HG2 LYS 49 -6.142 -15.535 -10.231 1051 HG3 LYS 49 HG1 LYS 49 -4.589 -16.120 -9.641 1052 HD2 LYS 49 HD2 LYS 49 -4.081 -13.945 -8.728 1053 HD3 LYS 49 HD1 LYS 49 -5.535 -13.267 -9.446 1054 HE2 LYS 49 HE2 LYS 49 -6.910 -14.691 -8.006 1055 HE3 LYS 49 HE1 LYS 49 -5.470 -15.453 -7.352 1056 HZ1 LYS 49 HZ1 LYS 49 -6.347 -13.819 -5.856 1057 HZ2 LYS 49 HZ2 LYS 49 -6.220 -12.572 -6.974 1058 HZ3 LYS 49 HZ3 LYS 49 -4.830 -13.332 -6.372 1059 H GLU 50 HN GLU 50 -0.716 -15.080 -11.550 1060 HA GLU 50 HA GLU 50 -0.767 -15.032 -14.462 1061 HB2 GLU 50 HB2 GLU 50 0.257 -12.914 -13.637 1062 HB3 GLU 50 HB1 GLU 50 1.440 -13.862 -12.748 1063 HG2 GLU 50 HG2 GLU 50 2.264 -14.787 -14.860 1064 HG3 GLU 50 HG1 GLU 50 1.099 -13.799 -15.735 Start of MODEL 8 1 H1 ASN -16 HT1 ASN -16 17.146 -31.931 -0.281 2 H2 ASN -16 HT2 ASN -16 16.838 -30.898 -1.561 3 H3 ASN -16 HT3 ASN -16 18.429 -31.223 -1.123 4 HA ASN -16 HA ASN -16 17.887 -32.367 -3.120 5 HB2 ASN -16 HB2 ASN -16 18.138 -34.208 -0.729 6 HB3 ASN -16 HB1 ASN -16 18.313 -34.736 -2.396 7 HD21 ASN -16 HD21 ASN -16 20.419 -35.402 -2.048 8 HD22 ASN -16 HD22 ASN -16 21.716 -34.277 -1.880 9 H HIS -15 HN HIS -15 15.698 -33.399 -0.471 10 HA HIS -15 HA HIS -15 13.834 -34.253 -2.548 11 HB2 HIS -15 HB2 HIS -15 14.283 -35.481 0.193 12 HB3 HIS -15 HB1 HIS -15 12.938 -35.883 -0.860 13 HD1 HIS -15 HD1 HIS -15 13.349 -37.924 -2.301 14 HD2 HIS -15 HD2 HIS -15 16.858 -36.081 -1.084 15 HE1 HIS -15 HE1 HIS -15 15.228 -39.395 -3.110 16 H LYS -14 HN LYS -14 11.693 -33.771 -2.202 17 HA LYS -14 HA LYS -14 11.272 -31.527 -0.420 18 HB2 LYS -14 HB2 LYS -14 9.388 -32.764 -2.435 19 HB3 LYS -14 HB1 LYS -14 9.134 -31.253 -1.571 20 HG2 LYS -14 HG2 LYS -14 11.059 -30.273 -2.695 21 HG3 LYS -14 HG1 LYS -14 11.336 -31.794 -3.549 22 HD2 LYS -14 HD2 LYS -14 9.117 -31.589 -4.591 23 HD3 LYS -14 HD1 LYS -14 8.884 -30.050 -3.761 24 HE2 LYS -14 HE2 LYS -14 9.595 -29.677 -6.045 25 HE3 LYS -14 HE1 LYS -14 10.842 -29.142 -4.923 26 HZ1 LYS -14 HZ1 LYS -14 10.852 -31.712 -6.426 27 HZ2 LYS -14 HZ2 LYS -14 12.032 -31.236 -5.353 28 HZ3 LYS -14 HZ3 LYS -14 11.793 -30.363 -6.773 29 H VAL -13 HN VAL -13 11.530 -32.851 1.425 30 HA VAL -13 HA VAL -13 9.822 -34.982 2.011 31 HB VAL -13 HB VAL -13 11.987 -34.694 3.121 32 HG11 VAL -13 HG11 VAL -13 10.744 -32.332 4.488 33 HG12 VAL -13 HG12 VAL -13 12.180 -32.362 3.462 34 HG13 VAL -13 HG13 VAL -13 12.208 -33.128 5.049 35 HG21 VAL -13 HG21 VAL -13 11.318 -35.292 5.420 36 HG22 VAL -13 HG22 VAL -13 10.384 -36.141 4.190 37 HG23 VAL -13 HG23 VAL -13 9.671 -34.777 5.050 38 H HIS -12 HN HIS -12 7.840 -35.073 2.687 39 HA HIS -12 HA HIS -12 5.731 -34.587 3.440 40 HB2 HIS -12 HB2 HIS -12 7.028 -32.276 4.919 41 HB3 HIS -12 HB1 HIS -12 5.443 -32.954 5.243 42 HD1 HIS -12 HD1 HIS -12 8.490 -32.856 6.841 43 HD2 HIS -12 HD2 HIS -12 6.059 -36.026 5.687 44 HE1 HIS -12 HE1 HIS -12 9.085 -34.786 8.350 45 H HIS -11 HN HIS -11 7.089 -33.105 1.126 46 HA HIS -11 HA HIS -11 6.744 -31.464 -0.396 47 HB2 HIS -11 HB2 HIS -11 3.938 -31.455 0.766 48 HB3 HIS -11 HB1 HIS -11 4.407 -30.538 -0.660 49 HD1 HIS -11 HD1 HIS -11 4.782 -31.895 -2.867 50 HD2 HIS -11 HD2 HIS -11 3.627 -34.170 0.412 51 HE1 HIS -11 HE1 HIS -11 4.200 -34.158 -3.763 52 H HIS -10 HN HIS -10 7.544 -30.870 2.409 53 HA HIS -10 HA HIS -10 6.731 -28.091 2.610 54 HB2 HIS -10 HB2 HIS -10 6.507 -29.585 4.617 55 HB3 HIS -10 HB1 HIS -10 8.247 -29.820 4.592 56 HD1 HIS -10 HD1 HIS -10 9.502 -28.276 6.134 57 HD2 HIS -10 HD2 HIS -10 5.816 -26.733 4.992 58 HE1 HIS -10 HE1 HIS -10 9.200 -26.150 7.432 59 H HIS -9 HN HIS -9 8.000 -27.845 0.635 60 HA HIS -9 HA HIS -9 10.899 -27.758 1.062 61 HB2 HIS -9 HB2 HIS -9 9.836 -28.772 -1.035 62 HB3 HIS -9 HB1 HIS -9 9.385 -27.135 -1.492 63 HD1 HIS -9 HD1 HIS -9 11.109 -25.934 -2.938 64 HD2 HIS -9 HD2 HIS -9 12.731 -29.074 -0.741 65 HE1 HIS -9 HE1 HIS -9 13.483 -26.156 -3.689 66 H HIS -8 HN HIS -8 8.253 -25.902 1.490 67 HA HIS -8 HA HIS -8 9.755 -23.480 1.721 68 HB2 HIS -8 HB2 HIS -8 8.040 -22.131 0.515 69 HB3 HIS -8 HB1 HIS -8 8.859 -23.240 -0.571 70 HD1 HIS -8 HD1 HIS -8 5.488 -22.231 0.555 71 HD2 HIS -8 HD2 HIS -8 7.235 -25.531 -1.282 72 HE1 HIS -8 HE1 HIS -8 3.619 -23.503 -0.519 73 H HIS -7 HN HIS -7 8.596 -22.008 3.127 74 HA HIS -7 HA HIS -7 6.555 -23.401 4.690 75 HB2 HIS -7 HB2 HIS -7 8.690 -23.503 5.878 76 HB3 HIS -7 HB1 HIS -7 8.871 -21.763 5.733 77 HD1 HIS -7 HD1 HIS -7 8.117 -20.480 7.759 78 HD2 HIS -7 HD2 HIS -7 6.273 -24.187 7.473 79 HE1 HIS -7 HE1 HIS -7 6.713 -20.729 9.838 80 H MET -6 HN MET -6 4.790 -22.294 4.937 81 HA MET -6 HA MET -6 4.200 -19.767 4.018 82 HB2 MET -6 HB2 MET -6 2.247 -19.838 5.638 83 HB3 MET -6 HB1 MET -6 2.411 -21.266 4.631 84 HG2 MET -6 HG2 MET -6 3.471 -22.456 6.499 85 HG3 MET -6 HG1 MET -6 3.287 -21.021 7.499 86 HE1 MET -6 HE1 MET -6 -0.216 -23.622 5.954 87 HE2 MET -6 HE2 MET -6 1.484 -23.994 5.682 88 HE3 MET -6 HE3 MET -6 0.749 -22.597 4.896 89 H SER -5 HN SER -5 5.181 -17.956 4.479 90 HA SER -5 HA SER -5 6.761 -17.681 6.898 91 HB2 SER -5 HB2 SER -5 6.580 -15.911 4.467 92 HB3 SER -5 HB1 SER -5 7.879 -15.963 5.663 93 HG SER -5 HG SER -5 7.331 -18.412 4.534 94 H ASP -4 HN ASP -4 4.048 -17.500 7.416 95 HA ASP -4 HA ASP -4 2.600 -15.164 7.184 96 HB2 ASP -4 HB2 ASP -4 2.610 -16.923 9.630 97 HB3 ASP -4 HB1 ASP -4 1.325 -15.846 9.124 98 H ASP -3 HN ASP -3 5.006 -15.915 9.447 99 HA ASP -3 HA ASP -3 4.495 -13.860 11.346 100 HB2 ASP -3 HB2 ASP -3 5.815 -15.826 11.931 101 HB3 ASP -3 HB1 ASP -3 7.089 -15.299 10.836 102 H ASP -2 HN ASP -2 6.544 -13.917 8.524 103 HA ASP -2 HA ASP -2 7.478 -11.183 9.105 104 HB2 ASP -2 HB2 ASP -2 9.242 -12.730 8.442 105 HB3 ASP -2 HB1 ASP -2 8.355 -13.173 6.990 106 H ASP -1 HN ASP -1 6.425 -12.992 6.285 107 HA ASP -1 HA ASP -1 5.159 -10.654 5.148 108 HB2 ASP -1 HB2 ASP -1 6.420 -12.071 3.597 109 HB3 ASP -1 HB1 ASP -1 5.541 -13.495 4.141 110 H LYS 0 HN LYS 0 3.358 -10.218 6.028 111 HA LYS 0 HA LYS 0 2.071 -12.094 7.735 112 HB2 LYS 0 HB2 LYS 0 1.217 -9.288 6.973 113 HB3 LYS 0 HB1 LYS 0 0.638 -10.229 8.344 114 HG2 LYS 0 HG2 LYS 0 2.718 -10.161 9.421 115 HG3 LYS 0 HG1 LYS 0 3.554 -9.579 7.992 116 HD2 LYS 0 HD2 LYS 0 2.091 -7.510 8.189 117 HD3 LYS 0 HD1 LYS 0 1.674 -8.103 9.801 118 HE2 LYS 0 HE2 LYS 0 3.545 -6.526 9.864 119 HE3 LYS 0 HE1 LYS 0 4.028 -8.134 10.423 120 HZ1 LYS 0 HZ1 LYS 0 5.646 -7.064 8.874 121 HZ2 LYS 0 HZ2 LYS 0 4.468 -7.134 7.651 122 HZ3 LYS 0 HZ3 LYS 0 5.087 -8.545 8.297 123 H GLY 1 HN GLY 1 1.316 -10.573 4.693 124 HA2 GLY 1 HA2 GLY 1 -0.250 -11.004 3.104 125 HA3 GLY 1 HA1 GLY 1 0.020 -12.679 3.542 126 H ILE 2 HN ILE 2 -1.617 -9.903 5.063 127 HA ILE 2 HA ILE 2 -3.750 -11.643 5.886 128 HB ILE 2 HB ILE 2 -3.622 -8.596 5.885 129 HG12 ILE 2 HG12 ILE 2 -3.165 -10.542 8.167 130 HG13 ILE 2 HG11 ILE 2 -1.898 -9.668 7.321 131 HG21 ILE 2 HG21 ILE 2 -5.558 -10.456 7.272 132 HG22 ILE 2 HG22 ILE 2 -5.926 -9.404 5.909 133 HG23 ILE 2 HG23 ILE 2 -5.504 -8.705 7.473 134 HD11 ILE 2 HD11 ILE 2 -4.103 -8.440 8.967 135 HD12 ILE 2 HD12 ILE 2 -2.839 -7.553 8.122 136 HD13 ILE 2 HD13 ILE 2 -2.420 -8.630 9.454 137 H HIS 3 HN HIS 3 -5.059 -12.411 4.380 138 HA HIS 3 HA HIS 3 -5.385 -10.929 1.914 139 HB2 HIS 3 HB2 HIS 3 -6.029 -13.782 2.650 140 HB3 HIS 3 HB1 HIS 3 -6.622 -13.053 1.168 141 HD1 HIS 3 HD1 HIS 3 -5.225 -14.063 -0.671 142 HD2 HIS 3 HD2 HIS 3 -2.947 -13.025 2.644 143 HE1 HIS 3 HE1 HIS 3 -2.836 -14.439 -1.313 144 H SER 4 HN SER 4 -6.946 -9.677 1.625 145 HA SER 4 HA SER 4 -9.538 -10.126 2.948 146 HB2 SER 4 HB2 SER 4 -9.911 -7.701 2.611 147 HB3 SER 4 HB1 SER 4 -8.355 -7.950 3.398 148 HG SER 4 HG SER 4 -8.037 -6.524 1.789 149 H SER 5 HN SER 5 -10.575 -8.151 0.825 150 HA SER 5 HA SER 5 -10.159 -9.387 -1.669 151 HB2 SER 5 HB2 SER 5 -11.702 -11.055 -0.669 152 HB3 SER 5 HB1 SER 5 -12.896 -9.773 -0.420 153 HG SER 5 HG SER 5 -11.791 -10.366 -2.944 154 H VAL 6 HN VAL 6 -10.617 -8.059 -3.220 155 HA VAL 6 HA VAL 6 -11.586 -5.396 -2.634 156 HB VAL 6 HB VAL 6 -10.895 -6.687 -5.292 157 HG11 VAL 6 HG11 VAL 6 -10.818 -4.406 -6.177 158 HG12 VAL 6 HG12 VAL 6 -11.370 -3.782 -4.617 159 HG13 VAL 6 HG13 VAL 6 -12.422 -4.823 -5.579 160 HG21 VAL 6 HG21 VAL 6 -8.846 -5.409 -5.170 161 HG22 VAL 6 HG22 VAL 6 -9.017 -6.513 -3.792 162 HG23 VAL 6 HG23 VAL 6 -9.354 -4.783 -3.598 163 H LYS 7 HN LYS 7 -13.721 -5.000 -2.527 164 HA LYS 7 HA LYS 7 -15.373 -6.776 -4.154 165 HB2 LYS 7 HB2 LYS 7 -16.171 -5.184 -1.774 166 HB3 LYS 7 HB1 LYS 7 -17.170 -6.438 -2.558 167 HG2 LYS 7 HG2 LYS 7 -14.836 -6.655 -0.640 168 HG3 LYS 7 HG1 LYS 7 -16.452 -7.337 -0.504 169 HD2 LYS 7 HD2 LYS 7 -14.206 -8.244 -2.296 170 HD3 LYS 7 HD1 LYS 7 -14.767 -9.013 -0.826 171 HE2 LYS 7 HE2 LYS 7 -16.948 -9.397 -1.965 172 HE3 LYS 7 HE1 LYS 7 -16.205 -8.794 -3.453 173 HZ1 LYS 7 HZ1 LYS 7 -15.806 -11.149 -3.554 174 HZ2 LYS 7 HZ2 LYS 7 -15.586 -11.222 -1.934 175 HZ3 LYS 7 HZ3 LYS 7 -14.374 -10.547 -2.866 176 H ARG 8 HN ARG 8 -17.596 -5.437 -4.562 177 HA ARG 8 HA ARG 8 -16.634 -2.930 -5.719 178 HB2 ARG 8 HB2 ARG 8 -17.250 -4.554 -7.373 179 HB3 ARG 8 HB1 ARG 8 -18.875 -4.671 -6.688 180 HG2 ARG 8 HG2 ARG 8 -19.245 -2.321 -7.245 181 HG3 ARG 8 HG1 ARG 8 -17.601 -2.247 -7.898 182 HD2 ARG 8 HD2 ARG 8 -19.463 -4.288 -8.759 183 HD3 ARG 8 HD1 ARG 8 -19.604 -2.676 -9.509 184 HE ARG 8 HE ARG 8 -17.042 -3.198 -9.914 185 HH11 ARG 8 HH11 ARG 8 -19.681 -5.540 -10.221 186 HH12 ARG 8 HH12 ARG 8 -18.988 -6.340 -11.544 187 HH21 ARG 8 HH21 ARG 8 -16.094 -4.327 -11.680 188 HH22 ARG 8 HH22 ARG 8 -16.888 -5.675 -12.370 189 H TRP 9 HN TRP 9 -17.349 -1.228 -4.705 190 HA TRP 9 HA TRP 9 -19.911 -1.272 -3.257 191 HB2 TRP 9 HB2 TRP 9 -17.831 -0.793 -1.963 192 HB3 TRP 9 HB1 TRP 9 -17.506 0.551 -2.986 193 HD1 TRP 9 HD1 TRP 9 -21.090 0.245 -1.821 194 HE1 TRP 9 HE1 TRP 9 -21.520 2.022 -0.034 195 HE3 TRP 9 HE3 TRP 9 -16.248 2.091 -0.997 196 HZ2 TRP 9 HZ2 TRP 9 -20.217 3.918 1.368 197 HZ3 TRP 9 HZ3 TRP 9 -16.025 3.844 0.513 198 HH2 TRP 9 HH2 TRP 9 -18.050 4.778 1.752 199 H GLY 10 HN GLY 10 -21.339 -0.727 -4.838 200 HA2 GLY 10 HA2 GLY 10 -22.456 0.678 -6.278 201 HA3 GLY 10 HA1 GLY 10 -21.176 1.887 -6.055 202 H ASN 11 HN ASN 11 -20.215 2.260 -7.956 203 HA ASN 11 HA ASN 11 -19.488 -0.115 -9.528 204 HB2 ASN 11 HB2 ASN 11 -19.631 2.797 -10.359 205 HB3 ASN 11 HB1 ASN 11 -19.032 1.506 -11.385 206 HD21 ASN 11 HD21 ASN 11 -21.817 2.979 -9.976 207 HD22 ASN 11 HD22 ASN 11 -22.979 2.109 -10.909 208 H SER 12 HN SER 12 -17.988 0.763 -7.023 209 HA SER 12 HA SER 12 -15.523 1.473 -8.319 210 HB2 SER 12 HB2 SER 12 -16.601 2.525 -5.706 211 HB3 SER 12 HB1 SER 12 -15.042 2.930 -6.435 212 HG SER 12 HG SER 12 -16.609 3.442 -8.321 213 HA PRO 13 HA PRO 13 -14.264 -2.149 -5.996 214 HB2 PRO 13 HB2 PRO 13 -11.551 -1.591 -6.221 215 HB3 PRO 13 HB1 PRO 13 -12.489 -2.525 -7.382 216 HG2 PRO 13 HG2 PRO 13 -11.570 0.280 -7.511 217 HG3 PRO 13 HG1 PRO 13 -11.875 -0.866 -8.822 218 HD2 PRO 13 HD2 PRO 13 -13.546 1.212 -8.136 219 HD3 PRO 13 HD1 PRO 13 -14.099 -0.246 -8.973 220 H ALA 14 HN ALA 14 -14.313 -2.194 -3.862 221 HA ALA 14 HA ALA 14 -12.831 -0.166 -2.397 222 HB1 ALA 14 HB1 ALA 14 -15.219 0.362 -2.358 223 HB2 ALA 14 HB2 ALA 14 -14.611 -0.084 -0.769 224 HB3 ALA 14 HB3 ALA 14 -15.556 -1.244 -1.707 225 H VAL 15 HN VAL 15 -11.625 -0.920 -0.875 226 HA VAL 15 HA VAL 15 -11.699 -3.794 -0.306 227 HB VAL 15 HB VAL 15 -9.426 -1.792 0.077 228 HG11 VAL 15 HG11 VAL 15 -8.037 -3.649 0.768 229 HG12 VAL 15 HG12 VAL 15 -9.336 -4.787 0.471 230 HG13 VAL 15 HG13 VAL 15 -9.473 -3.636 1.798 231 HG21 VAL 15 HG21 VAL 15 -9.814 -2.398 -2.255 232 HG22 VAL 15 HG22 VAL 15 -9.727 -4.103 -1.804 233 HG23 VAL 15 HG23 VAL 15 -8.294 -3.086 -1.664 234 H ARG 16 HN ARG 16 -12.052 -4.456 1.713 235 HA ARG 16 HA ARG 16 -12.961 -2.599 3.657 236 HB2 ARG 16 HB2 ARG 16 -12.517 -5.539 3.613 237 HB3 ARG 16 HB1 ARG 16 -13.136 -4.700 5.050 238 HG2 ARG 16 HG2 ARG 16 -14.972 -3.917 3.480 239 HG3 ARG 16 HG1 ARG 16 -14.337 -5.105 2.349 240 HD2 ARG 16 HD2 ARG 16 -15.193 -5.709 5.157 241 HD3 ARG 16 HD1 ARG 16 -16.175 -5.935 3.706 242 HE ARG 16 HE ARG 16 -14.602 -7.586 2.973 243 HH11 ARG 16 HH11 ARG 16 -14.221 -6.691 6.415 244 HH12 ARG 16 HH12 ARG 16 -13.559 -8.192 6.841 245 HH21 ARG 16 HH21 ARG 16 -13.588 -9.619 3.618 246 HH22 ARG 16 HH22 ARG 16 -13.153 -9.860 5.233 247 H ILE 17 HN ILE 17 -11.550 -1.512 4.928 248 HA ILE 17 HA ILE 17 -8.902 -2.633 5.391 249 HB ILE 17 HB ILE 17 -10.019 0.172 5.608 250 HG12 ILE 17 HG12 ILE 17 -7.818 0.697 4.400 251 HG13 ILE 17 HG11 ILE 17 -7.711 -1.036 4.135 252 HG21 ILE 17 HG21 ILE 17 -7.420 -0.617 6.855 253 HG22 ILE 17 HG22 ILE 17 -8.870 -0.010 7.682 254 HG23 ILE 17 HG23 ILE 17 -7.992 1.022 6.535 255 HD11 ILE 17 HD11 ILE 17 -9.857 -0.961 3.004 256 HD12 ILE 17 HD12 ILE 17 -8.657 0.110 2.255 257 HD13 ILE 17 HD13 ILE 17 -9.903 0.771 3.336 258 HA PRO 18 HA PRO 18 -10.069 -3.627 9.586 259 HB2 PRO 18 HB2 PRO 18 -7.537 -3.746 10.658 260 HB3 PRO 18 HB1 PRO 18 -8.275 -5.073 9.760 261 HG2 PRO 18 HG2 PRO 18 -6.299 -3.032 8.833 262 HG3 PRO 18 HG1 PRO 18 -6.394 -4.758 8.442 263 HD2 PRO 18 HD2 PRO 18 -7.234 -2.813 6.754 264 HD3 PRO 18 HD1 PRO 18 -7.981 -4.422 6.812 265 H ALA 19 HN ALA 19 -10.814 -2.124 10.897 266 HA ALA 19 HA ALA 19 -10.025 0.570 10.834 267 HB1 ALA 19 HB1 ALA 19 -11.716 -0.773 12.945 268 HB2 ALA 19 HB2 ALA 19 -12.294 -0.228 11.371 269 HB3 ALA 19 HB3 ALA 19 -11.678 0.948 12.522 270 H THR 20 HN THR 20 -9.008 -2.081 12.726 271 HA THR 20 HA THR 20 -7.868 -0.992 14.968 272 HB THR 20 HB THR 20 -6.773 -3.215 13.242 273 HG1 THR 20 HG1 THR 20 -8.301 -4.484 14.183 274 HG21 THR 20 HG21 THR 20 -6.732 -2.809 16.244 275 HG22 THR 20 HG22 THR 20 -5.343 -2.605 15.172 276 HG23 THR 20 HG23 THR 20 -6.074 -4.196 15.378 277 H LEU 21 HN LEU 21 -6.711 -0.837 11.631 278 HA LEU 21 HA LEU 21 -4.038 0.119 12.322 279 HB2 LEU 21 HB2 LEU 21 -5.510 -0.435 9.791 280 HB3 LEU 21 HB1 LEU 21 -4.063 0.550 9.761 281 HG LEU 21 HG LEU 21 -3.798 -1.790 9.187 282 HD11 LEU 21 HD11 LEU 21 -2.290 -0.812 11.647 283 HD12 LEU 21 HD12 LEU 21 -1.880 -0.440 9.974 284 HD13 LEU 21 HD13 LEU 21 -1.704 -2.087 10.578 285 HD21 LEU 21 HD21 LEU 21 -5.264 -2.888 10.736 286 HD22 LEU 21 HD22 LEU 21 -4.379 -2.204 12.088 287 HD23 LEU 21 HD23 LEU 21 -3.616 -3.455 11.087 288 H MET 22 HN MET 22 -6.970 1.351 11.233 289 HA MET 22 HA MET 22 -6.238 4.112 10.874 290 HB2 MET 22 HB2 MET 22 -8.820 3.123 12.095 291 HB3 MET 22 HB1 MET 22 -8.543 4.659 11.303 292 HG2 MET 22 HG2 MET 22 -8.342 3.500 9.139 293 HG3 MET 22 HG1 MET 22 -8.577 1.959 9.945 294 HE1 MET 22 HE1 MET 22 -10.299 5.385 10.708 295 HE2 MET 22 HE2 MET 22 -11.738 5.281 9.696 296 HE3 MET 22 HE3 MET 22 -10.133 5.359 8.953 297 H GLN 23 HN GLN 23 -7.425 2.306 13.583 298 HA GLN 23 HA GLN 23 -7.070 4.283 15.556 299 HB2 GLN 23 HB2 GLN 23 -7.300 1.301 15.726 300 HB3 GLN 23 HB1 GLN 23 -7.259 2.379 17.124 301 HG2 GLN 23 HG2 GLN 23 -9.146 3.556 16.270 302 HG3 GLN 23 HG1 GLN 23 -9.230 2.498 14.883 303 HE21 GLN 23 HE21 GLN 23 -11.340 1.951 15.463 304 HE22 GLN 23 HE22 GLN 23 -11.686 0.784 16.680 305 H ALA 24 HN ALA 24 -4.935 2.029 14.133 306 HA ALA 24 HA ALA 24 -2.925 2.024 16.134 307 HB1 ALA 24 HB1 ALA 24 -2.519 1.657 13.161 308 HB2 ALA 24 HB2 ALA 24 -2.934 0.373 14.297 309 HB3 ALA 24 HB3 ALA 24 -1.382 1.198 14.427 310 H LEU 25 HN LEU 25 -3.542 4.182 13.433 311 HA LEU 25 HA LEU 25 -1.217 5.803 14.186 312 HB2 LEU 25 HB2 LEU 25 -3.349 6.534 12.203 313 HB3 LEU 25 HB1 LEU 25 -1.804 7.302 12.414 314 HG LEU 25 HG LEU 25 -2.528 4.806 10.977 315 HD11 LEU 25 HD11 LEU 25 -0.981 7.272 10.441 316 HD12 LEU 25 HD12 LEU 25 -2.506 6.770 9.714 317 HD13 LEU 25 HD13 LEU 25 -0.976 5.906 9.359 318 HD21 LEU 25 HD21 LEU 25 -0.160 4.290 10.669 319 HD22 LEU 25 HD22 LEU 25 -0.689 4.014 12.329 320 HD23 LEU 25 HD23 LEU 25 0.276 5.456 11.925 321 H ASN 26 HN ASN 26 -4.505 5.512 14.771 322 HA ASN 26 HA ASN 26 -6.037 6.563 15.953 323 HB2 ASN 26 HB2 ASN 26 -3.792 8.379 16.874 324 HB3 ASN 26 HB1 ASN 26 -5.460 8.634 17.367 325 HD21 ASN 26 HD21 ASN 26 -2.640 6.653 17.689 326 HD22 ASN 26 HD22 ASN 26 -3.215 5.749 19.042 327 H LEU 27 HN LEU 27 -6.719 6.826 13.720 328 HA LEU 27 HA LEU 27 -7.407 9.586 13.382 329 HB2 LEU 27 HB2 LEU 27 -7.324 9.175 10.976 330 HB3 LEU 27 HB1 LEU 27 -5.727 9.139 11.730 331 HG LEU 27 HG LEU 27 -6.232 6.533 11.627 332 HD11 LEU 27 HD11 LEU 27 -7.803 7.663 9.331 333 HD12 LEU 27 HD12 LEU 27 -8.457 6.761 10.694 334 HD13 LEU 27 HD13 LEU 27 -7.378 5.969 9.539 335 HD21 LEU 27 HD21 LEU 27 -5.330 8.145 9.255 336 HD22 LEU 27 HD22 LEU 27 -4.938 6.452 9.622 337 HD23 LEU 27 HD23 LEU 27 -4.338 7.741 10.655 338 H ASN 28 HN ASN 28 -9.406 9.472 11.647 339 HA ASN 28 HA ASN 28 -11.166 7.248 12.383 340 HB2 ASN 28 HB2 ASN 28 -11.667 10.164 12.934 341 HB3 ASN 28 HB1 ASN 28 -12.994 9.112 12.514 342 HD21 ASN 28 HD21 ASN 28 -10.359 7.838 14.425 343 HD22 ASN 28 HD22 ASN 28 -11.225 7.830 15.912 344 H ILE 29 HN ILE 29 -13.169 7.329 11.115 345 HA ILE 29 HA ILE 29 -12.805 7.210 8.393 346 HB ILE 29 HB ILE 29 -15.302 7.688 10.030 347 HG12 ILE 29 HG12 ILE 29 -14.316 5.458 10.274 348 HG13 ILE 29 HG11 ILE 29 -15.861 5.372 9.452 349 HG21 ILE 29 HG21 ILE 29 -15.356 7.144 7.067 350 HG22 ILE 29 HG22 ILE 29 -15.743 8.674 7.839 351 HG23 ILE 29 HG23 ILE 29 -16.757 7.267 8.144 352 HD11 ILE 29 HD11 ILE 29 -13.151 5.211 8.171 353 HD12 ILE 29 HD12 ILE 29 -14.694 5.152 7.320 354 HD13 ILE 29 HD13 ILE 29 -14.267 3.876 8.466 355 H ASP 30 HN ASP 30 -13.235 8.504 6.653 356 HA ASP 30 HA ASP 30 -13.745 10.255 5.395 357 HB2 ASP 30 HB2 ASP 30 -15.437 11.031 7.105 358 HB3 ASP 30 HB1 ASP 30 -14.162 11.921 7.909 359 H ASP 31 HN ASP 31 -11.174 9.479 6.951 360 HA ASP 31 HA ASP 31 -9.634 11.851 6.773 361 HB2 ASP 31 HB2 ASP 31 -7.800 10.393 7.557 362 HB3 ASP 31 HB1 ASP 31 -9.245 10.048 8.475 363 H GLU 32 HN GLU 32 -7.311 10.887 5.459 364 HA GLU 32 HA GLU 32 -8.403 10.194 2.907 365 HB2 GLU 32 HB2 GLU 32 -7.176 12.027 1.728 366 HB3 GLU 32 HB1 GLU 32 -8.458 12.578 2.779 367 HG2 GLU 32 HG2 GLU 32 -6.625 13.093 4.479 368 HG3 GLU 32 HG1 GLU 32 -5.541 12.856 3.092 369 H VAL 33 HN VAL 33 -6.713 9.583 1.341 370 HA VAL 33 HA VAL 33 -4.354 8.718 2.797 371 HB VAL 33 HB VAL 33 -4.416 6.444 2.269 372 HG11 VAL 33 HG11 VAL 33 -6.130 7.073 3.858 373 HG12 VAL 33 HG12 VAL 33 -6.459 5.542 2.996 374 HG13 VAL 33 HG13 VAL 33 -7.291 7.036 2.523 375 HG21 VAL 33 HG21 VAL 33 -5.859 5.361 0.663 376 HG22 VAL 33 HG22 VAL 33 -4.929 6.649 -0.125 377 HG23 VAL 33 HG23 VAL 33 -6.628 6.903 0.316 378 H LYS 34 HN LYS 34 -2.640 8.476 1.757 379 HA LYS 34 HA LYS 34 -2.554 9.698 -0.914 380 HB2 LYS 34 HB2 LYS 34 -0.328 8.911 0.953 381 HB3 LYS 34 HB1 LYS 34 -0.077 9.682 -0.601 382 HG2 LYS 34 HG2 LYS 34 -1.244 11.675 0.174 383 HG3 LYS 34 HG1 LYS 34 -1.566 10.894 1.724 384 HD2 LYS 34 HD2 LYS 34 1.186 11.503 0.613 385 HD3 LYS 34 HD1 LYS 34 0.351 12.459 1.838 386 HE2 LYS 34 HE2 LYS 34 0.296 10.498 3.318 387 HE3 LYS 34 HE1 LYS 34 1.139 9.566 2.085 388 HZ1 LYS 34 HZ1 LYS 34 3.053 10.987 2.338 389 HZ2 LYS 34 HZ2 LYS 34 2.587 10.283 3.788 390 HZ3 LYS 34 HZ3 LYS 34 2.265 11.916 3.519 391 H ILE 35 HN ILE 35 -3.025 8.229 -2.443 392 HA ILE 35 HA ILE 35 -1.928 5.550 -2.306 393 HB ILE 35 HB ILE 35 -3.552 6.799 -4.565 394 HG12 ILE 35 HG12 ILE 35 -5.275 4.985 -3.730 395 HG13 ILE 35 HG11 ILE 35 -4.422 5.182 -2.205 396 HG21 ILE 35 HG21 ILE 35 -3.845 4.531 -5.413 397 HG22 ILE 35 HG22 ILE 35 -2.779 3.934 -4.144 398 HG23 ILE 35 HG23 ILE 35 -2.152 5.029 -5.376 399 HD11 ILE 35 HD11 ILE 35 -4.906 7.602 -2.330 400 HD12 ILE 35 HD12 ILE 35 -6.326 6.585 -2.186 401 HD13 ILE 35 HD13 ILE 35 -5.907 7.285 -3.742 402 H ASP 36 HN ASP 36 -0.026 5.197 -3.006 403 HA ASP 36 HA ASP 36 0.903 6.570 -5.452 404 HB2 ASP 36 HB2 ASP 36 2.122 7.081 -3.033 405 HB3 ASP 36 HB1 ASP 36 2.971 5.643 -3.560 406 H LEU 37 HN LEU 37 1.929 5.106 -6.966 407 HA LEU 37 HA LEU 37 1.645 2.395 -6.256 408 HB2 LEU 37 HB2 LEU 37 0.529 3.422 -8.281 409 HB3 LEU 37 HB1 LEU 37 2.152 3.825 -8.807 410 HG LEU 37 HG LEU 37 1.009 1.853 -9.930 411 HD11 LEU 37 HD11 LEU 37 3.099 0.577 -10.113 412 HD12 LEU 37 HD12 LEU 37 3.721 1.499 -8.722 413 HD13 LEU 37 HD13 LEU 37 3.346 2.328 -10.221 414 HD21 LEU 37 HD21 LEU 37 1.132 -0.272 -8.805 415 HD22 LEU 37 HD22 LEU 37 0.196 0.913 -7.845 416 HD23 LEU 37 HD23 LEU 37 1.859 0.532 -7.406 417 H VAL 38 HN VAL 38 3.362 1.295 -6.064 418 HA VAL 38 HA VAL 38 5.980 2.218 -6.993 419 HB VAL 38 HB VAL 38 5.512 1.323 -4.117 420 HG11 VAL 38 HG11 VAL 38 7.595 0.427 -5.028 421 HG12 VAL 38 HG12 VAL 38 7.927 1.652 -3.802 422 HG13 VAL 38 HG13 VAL 38 8.089 2.044 -5.518 423 HG21 VAL 38 HG21 VAL 38 6.380 3.543 -3.483 424 HG22 VAL 38 HG22 VAL 38 4.912 3.677 -4.451 425 HG23 VAL 38 HG23 VAL 38 6.487 3.982 -5.188 426 H ASP 39 HN ASP 39 6.397 0.662 -8.346 427 HA ASP 39 HA ASP 39 6.716 -1.318 -9.286 428 HB2 ASP 39 HB2 ASP 39 8.677 -1.260 -7.909 429 HB3 ASP 39 HB1 ASP 39 7.788 -1.856 -6.518 430 H GLY 40 HN GLY 40 4.278 -1.380 -9.267 431 HA2 GLY 40 HA2 GLY 40 2.556 -2.886 -9.573 432 HA3 GLY 40 HA1 GLY 40 3.579 -4.129 -8.894 433 H LYS 41 HN LYS 41 3.663 -2.013 -6.423 434 HA LYS 41 HA LYS 41 1.100 -2.960 -5.421 435 HB2 LYS 41 HB2 LYS 41 2.033 -2.924 -3.085 436 HB3 LYS 41 HB1 LYS 41 2.681 -4.198 -4.104 437 HG2 LYS 41 HG2 LYS 41 4.193 -1.640 -3.789 438 HG3 LYS 41 HG1 LYS 41 4.171 -2.790 -2.463 439 HD2 LYS 41 HD2 LYS 41 5.083 -4.530 -3.900 440 HD3 LYS 41 HD1 LYS 41 5.044 -3.452 -5.287 441 HE2 LYS 41 HE2 LYS 41 6.655 -1.974 -4.213 442 HE3 LYS 41 HE1 LYS 41 6.640 -2.988 -2.775 443 HZ1 LYS 41 HZ1 LYS 41 7.633 -3.826 -5.470 444 HZ2 LYS 41 HZ2 LYS 41 7.580 -4.788 -4.099 445 HZ3 LYS 41 HZ3 LYS 41 8.570 -3.432 -4.123 446 H LEU 42 HN LEU 42 -0.030 -1.690 -3.947 447 HA LEU 42 HA LEU 42 0.459 1.120 -4.456 448 HB2 LEU 42 HB2 LEU 42 -1.968 -0.391 -3.519 449 HB3 LEU 42 HB1 LEU 42 -1.918 1.350 -3.631 450 HG LEU 42 HG LEU 42 -1.356 -0.357 -5.988 451 HD11 LEU 42 HD11 LEU 42 -3.792 -0.153 -6.584 452 HD12 LEU 42 HD12 LEU 42 -4.078 0.619 -5.024 453 HD13 LEU 42 HD13 LEU 42 -3.564 -1.066 -5.092 454 HD21 LEU 42 HD21 LEU 42 -2.310 1.582 -7.222 455 HD22 LEU 42 HD22 LEU 42 -0.868 2.023 -6.357 456 HD23 LEU 42 HD23 LEU 42 -2.459 2.447 -5.712 457 H ILE 43 HN ILE 43 1.076 2.297 -3.058 458 HA ILE 43 HA ILE 43 1.471 1.306 -0.341 459 HB ILE 43 HB ILE 43 2.329 3.917 -1.542 460 HG12 ILE 43 HG12 ILE 43 3.284 2.106 -2.778 461 HG13 ILE 43 HG11 ILE 43 4.560 2.927 -1.857 462 HG21 ILE 43 HG21 ILE 43 3.274 2.531 0.959 463 HG22 ILE 43 HG22 ILE 43 2.270 3.983 0.853 464 HG23 ILE 43 HG23 ILE 43 3.940 4.029 0.292 465 HD11 ILE 43 HD11 ILE 43 4.904 0.531 -1.836 466 HD12 ILE 43 HD12 ILE 43 3.258 0.254 -1.298 467 HD13 ILE 43 HD13 ILE 43 4.417 1.036 -0.217 468 H ILE 44 HN ILE 44 -0.093 1.602 0.873 469 HA ILE 44 HA ILE 44 -1.842 3.933 0.508 470 HB ILE 44 HB ILE 44 -2.512 1.183 1.601 471 HG12 ILE 44 HG12 ILE 44 -2.301 1.175 -0.826 472 HG13 ILE 44 HG11 ILE 44 -3.986 0.971 -0.363 473 HG21 ILE 44 HG21 ILE 44 -4.275 3.607 1.386 474 HG22 ILE 44 HG22 ILE 44 -3.842 2.649 2.829 475 HG23 ILE 44 HG23 ILE 44 -4.869 1.959 1.590 476 HD11 ILE 44 HD11 ILE 44 -4.392 3.332 -0.882 477 HD12 ILE 44 HD12 ILE 44 -3.791 2.427 -2.270 478 HD13 ILE 44 HD13 ILE 44 -2.707 3.494 -1.385 479 H GLU 45 HN GLU 45 -1.174 5.375 1.866 480 HA GLU 45 HA GLU 45 -0.642 4.660 4.702 481 HB2 GLU 45 HB2 GLU 45 1.334 5.467 3.395 482 HB3 GLU 45 HB1 GLU 45 0.454 6.947 3.051 483 HG2 GLU 45 HG2 GLU 45 0.380 7.406 5.487 484 HG3 GLU 45 HG1 GLU 45 1.362 5.967 5.751 485 HA PRO 46 HA PRO 46 -4.493 7.135 5.031 486 HB2 PRO 46 HB2 PRO 46 -4.607 6.636 7.704 487 HB3 PRO 46 HB1 PRO 46 -5.385 5.638 6.465 488 HG2 PRO 46 HG2 PRO 46 -2.723 5.320 7.753 489 HG3 PRO 46 HG1 PRO 46 -4.055 4.132 7.499 490 HD2 PRO 46 HD2 PRO 46 -2.092 3.949 5.694 491 HD3 PRO 46 HD1 PRO 46 -3.758 4.157 5.210 492 H VAL 47 HN VAL 47 -4.753 8.935 5.784 493 HA VAL 47 HA VAL 47 -2.887 10.248 7.504 494 HB VAL 47 HB VAL 47 -1.726 10.665 5.509 495 HG11 VAL 47 HG11 VAL 47 -3.564 10.200 3.943 496 HG12 VAL 47 HG12 VAL 47 -2.464 11.522 3.510 497 HG13 VAL 47 HG13 VAL 47 -4.045 11.896 4.165 498 HG21 VAL 47 HG21 VAL 47 -1.757 12.978 5.130 499 HG22 VAL 47 HG22 VAL 47 -1.848 12.642 6.889 500 HG23 VAL 47 HG23 VAL 47 -3.307 13.118 5.949 501 H ARG 48 HN ARG 48 -3.873 11.305 8.958 502 HA ARG 48 HA ARG 48 -6.680 11.624 8.717 503 HB2 ARG 48 HB2 ARG 48 -6.695 12.389 10.976 504 HB3 ARG 48 HB1 ARG 48 -5.693 10.957 10.840 505 HG2 ARG 48 HG2 ARG 48 -3.693 12.276 11.029 506 HG3 ARG 48 HG1 ARG 48 -4.632 13.771 10.956 507 HD2 ARG 48 HD2 ARG 48 -4.905 11.667 13.085 508 HD3 ARG 48 HD1 ARG 48 -3.964 13.146 13.274 509 HE ARG 48 HE ARG 48 -6.277 14.237 12.748 510 HH11 ARG 48 HH11 ARG 48 -5.822 11.264 14.675 511 HH12 ARG 48 HH12 ARG 48 -7.152 11.570 15.659 512 HH21 ARG 48 HH21 ARG 48 -8.136 14.598 14.123 513 HH22 ARG 48 HH22 ARG 48 -8.442 13.477 15.376 514 H LYS 49 HN LYS 49 -7.862 13.476 9.077 515 HA LYS 49 HA LYS 49 -6.589 15.931 8.669 516 HB2 LYS 49 HB2 LYS 49 -8.651 16.435 7.175 517 HB3 LYS 49 HB1 LYS 49 -7.266 15.644 6.422 518 HG2 LYS 49 HG2 LYS 49 -9.042 14.510 5.557 519 HG3 LYS 49 HG1 LYS 49 -8.656 13.482 6.919 520 HD2 LYS 49 HD2 LYS 49 -10.960 13.699 7.114 521 HD3 LYS 49 HD1 LYS 49 -10.393 14.998 8.154 522 HE2 LYS 49 HE2 LYS 49 -10.674 16.620 6.369 523 HE3 LYS 49 HE1 LYS 49 -11.175 15.349 5.259 524 HZ1 LYS 49 HZ1 LYS 49 -12.556 16.234 7.697 525 HZ2 LYS 49 HZ2 LYS 49 -13.086 14.932 6.733 526 HZ3 LYS 49 HZ3 LYS 49 -13.078 16.501 6.113 527 H GLU 50 HN GLU 50 -7.722 17.462 9.608 528 HA GLU 50 HA GLU 50 -8.335 18.268 11.631 529 HB2 GLU 50 HB2 GLU 50 -10.715 16.412 11.238 530 HB3 GLU 50 HB1 GLU 50 -10.599 17.567 12.549 531 HG2 GLU 50 HG2 GLU 50 -11.967 18.618 11.004 532 HG3 GLU 50 HG1 GLU 50 -10.390 19.333 10.691 533 H1 ASN -16 HT1 ASN -16 17.732 31.687 0.732 534 H2 ASN -16 HT2 ASN -16 17.497 30.554 1.932 535 H3 ASN -16 HT3 ASN -16 19.054 30.935 1.453 536 HA ASN -16 HA ASN -16 18.545 31.884 3.582 537 HB2 ASN -16 HB2 ASN -16 18.880 33.904 1.349 538 HB3 ASN -16 HB1 ASN -16 19.043 34.304 3.048 539 HD21 ASN -16 HD21 ASN -16 21.175 34.867 2.949 540 HD22 ASN -16 HD22 ASN -16 22.431 33.720 2.666 541 H HIS -15 HN HIS -15 16.404 33.238 1.072 542 HA HIS -15 HA HIS -15 14.603 33.964 3.250 543 HB2 HIS -15 HB2 HIS -15 14.956 35.225 0.533 544 HB3 HIS -15 HB1 HIS -15 13.623 35.608 1.607 545 HD1 HIS -15 HD1 HIS -15 14.025 37.597 3.075 546 HD2 HIS -15 HD2 HIS -15 17.565 35.880 1.753 547 HE1 HIS -15 HE1 HIS -15 15.865 39.130 3.827 548 H LYS -14 HN LYS -14 12.383 33.552 2.897 549 HA LYS -14 HA LYS -14 11.941 31.343 1.070 550 HB2 LYS -14 HB2 LYS -14 10.037 32.586 3.068 551 HB3 LYS -14 HB1 LYS -14 9.752 31.099 2.169 552 HG2 LYS -14 HG2 LYS -14 11.656 30.053 3.269 553 HG3 LYS -14 HG1 LYS -14 11.965 31.548 4.150 554 HD2 LYS -14 HD2 LYS -14 9.742 31.355 5.192 555 HD3 LYS -14 HD1 LYS -14 9.512 29.816 4.353 556 HE2 LYS -14 HE2 LYS -14 10.253 29.461 6.655 557 HE3 LYS -14 HE1 LYS -14 11.457 28.891 5.499 558 HZ1 LYS -14 HZ1 LYS -14 11.557 31.478 6.958 559 HZ2 LYS -14 HZ2 LYS -14 12.712 30.930 5.868 560 HZ3 LYS -14 HZ3 LYS -14 12.478 30.120 7.313 561 H VAL -13 HN VAL -13 12.062 32.333 -0.867 562 HA VAL -13 HA VAL -13 10.566 34.713 -1.416 563 HB VAL -13 HB VAL -13 12.766 34.384 -2.471 564 HG11 VAL -13 HG11 VAL -13 12.709 31.965 -2.797 565 HG12 VAL -13 HG12 VAL -13 13.170 32.821 -4.258 566 HG13 VAL -13 HG13 VAL -13 11.540 32.170 -4.105 567 HG21 VAL -13 HG21 VAL -13 12.177 35.031 -4.781 568 HG22 VAL -13 HG22 VAL -13 11.222 35.883 -3.570 569 HG23 VAL -13 HG23 VAL -13 10.510 34.543 -4.467 570 H HIS -12 HN HIS -12 8.606 34.899 -2.110 571 HA HIS -12 HA HIS -12 6.522 34.493 -2.849 572 HB2 HIS -12 HB2 HIS -12 7.727 32.148 -4.364 573 HB3 HIS -12 HB1 HIS -12 6.142 32.846 -4.657 574 HD1 HIS -12 HD1 HIS -12 9.061 32.710 -6.419 575 HD2 HIS -12 HD2 HIS -12 6.880 35.950 -4.994 576 HE1 HIS -12 HE1 HIS -12 9.744 34.677 -7.816 577 H HIS -11 HN HIS -11 7.884 32.961 -0.580 578 HA HIS -11 HA HIS -11 7.474 31.434 1.021 579 HB2 HIS -11 HB2 HIS -11 4.674 31.357 -0.164 580 HB3 HIS -11 HB1 HIS -11 5.132 30.498 1.296 581 HD1 HIS -11 HD1 HIS -11 5.370 31.916 3.457 582 HD2 HIS -11 HD2 HIS -11 4.398 34.127 0.082 583 HE1 HIS -11 HE1 HIS -11 4.623 34.168 4.293 584 H HIS -10 HN HIS -10 8.155 30.743 -1.874 585 HA HIS -10 HA HIS -10 7.348 27.963 -1.979 586 HB2 HIS -10 HB2 HIS -10 7.149 29.402 -4.020 587 HB3 HIS -10 HB1 HIS -10 8.889 29.628 -4.001 588 HD1 HIS -10 HD1 HIS -10 10.125 28.044 -5.523 589 HD2 HIS -10 HD2 HIS -10 6.432 26.549 -4.347 590 HE1 HIS -10 HE1 HIS -10 9.814 25.875 -6.767 591 H HIS -9 HN HIS -9 8.593 27.623 -0.054 592 HA HIS -9 HA HIS -9 11.497 27.435 -0.497 593 HB2 HIS -9 HB2 HIS -9 10.517 28.595 1.580 594 HB3 HIS -9 HB1 HIS -9 10.016 26.996 2.113 595 HD1 HIS -9 HD1 HIS -9 11.728 25.760 3.531 596 HD2 HIS -9 HD2 HIS -9 13.411 28.785 1.234 597 HE1 HIS -9 HE1 HIS -9 14.131 25.891 4.209 598 H HIS -8 HN HIS -8 8.841 25.729 -0.980 599 HA HIS -8 HA HIS -8 10.185 23.210 -1.038 600 HB2 HIS -8 HB2 HIS -8 8.347 22.011 0.090 601 HB3 HIS -8 HB1 HIS -8 9.126 23.126 1.201 602 HD1 HIS -8 HD1 HIS -8 5.805 22.080 0.091 603 HD2 HIS -8 HD2 HIS -8 7.512 25.611 1.482 604 HE1 HIS -8 HE1 HIS -8 3.911 23.499 0.902 605 H HIS -7 HN HIS -7 9.017 21.798 -2.474 606 HA HIS -7 HA HIS -7 7.063 23.227 -4.105 607 HB2 HIS -7 HB2 HIS -7 9.225 23.266 -5.269 608 HB3 HIS -7 HB1 HIS -7 9.366 21.522 -5.095 609 HD1 HIS -7 HD1 HIS -7 8.702 20.283 -7.169 610 HD2 HIS -7 HD2 HIS -7 6.747 23.930 -6.832 611 HE1 HIS -7 HE1 HIS -7 7.308 20.530 -9.260 612 H MET -6 HN MET -6 5.330 22.128 -4.561 613 HA MET -6 HA MET -6 4.716 19.670 -3.423 614 HB2 MET -6 HB2 MET -6 2.712 19.702 -4.949 615 HB3 MET -6 HB1 MET -6 2.928 21.177 -4.025 616 HG2 MET -6 HG2 MET -6 3.912 22.248 -5.999 617 HG3 MET -6 HG1 MET -6 3.665 20.764 -6.906 618 HE1 MET -6 HE1 MET -6 0.263 23.466 -5.343 619 HE2 MET -6 HE2 MET -6 1.980 23.823 -5.152 620 HE3 MET -6 HE3 MET -6 1.248 22.487 -4.258 621 H SER -5 HN SER -5 5.619 17.862 -3.838 622 HA SER -5 HA SER -5 7.142 17.472 -6.260 623 HB2 SER -5 HB2 SER -5 6.919 15.811 -3.757 624 HB3 SER -5 HB1 SER -5 8.170 15.688 -4.995 625 HG SER -5 HG SER -5 7.718 18.199 -3.874 626 H ASP -4 HN ASP -4 4.608 17.422 -6.950 627 HA ASP -4 HA ASP -4 2.954 15.167 -6.666 628 HB2 ASP -4 HB2 ASP -4 3.035 16.870 -9.150 629 HB3 ASP -4 HB1 ASP -4 1.674 15.977 -8.514 630 H ASP -3 HN ASP -3 5.544 15.750 -8.751 631 HA ASP -3 HA ASP -3 4.960 13.783 -10.752 632 HB2 ASP -3 HB2 ASP -3 6.327 15.675 -11.346 633 HB3 ASP -3 HB1 ASP -3 7.507 15.263 -10.118 634 H ASP -2 HN ASP -2 7.067 13.797 -7.930 635 HA ASP -2 HA ASP -2 7.820 11.026 -8.495 636 HB2 ASP -2 HB2 ASP -2 9.614 12.599 -7.860 637 HB3 ASP -2 HB1 ASP -2 8.803 12.885 -6.326 638 H ASP -1 HN ASP -1 6.675 12.910 -5.726 639 HA ASP -1 HA ASP -1 5.475 10.504 -4.624 640 HB2 ASP -1 HB2 ASP -1 6.749 12.025 -3.085 641 HB3 ASP -1 HB1 ASP -1 5.627 13.321 -3.479 642 H LYS 0 HN LYS 0 3.675 10.063 -5.569 643 HA LYS 0 HA LYS 0 2.393 11.954 -7.267 644 HB2 LYS 0 HB2 LYS 0 1.438 9.176 -6.491 645 HB3 LYS 0 HB1 LYS 0 0.901 10.133 -7.864 646 HG2 LYS 0 HG2 LYS 0 2.989 9.960 -8.935 647 HG3 LYS 0 HG1 LYS 0 3.767 9.308 -7.501 648 HD2 LYS 0 HD2 LYS 0 2.164 7.353 -7.709 649 HD3 LYS 0 HD1 LYS 0 1.767 7.986 -9.310 650 HE2 LYS 0 HE2 LYS 0 3.518 6.251 -9.379 651 HE3 LYS 0 HE1 LYS 0 4.082 7.806 -9.997 652 HZ1 LYS 0 HZ1 LYS 0 5.686 6.684 -8.450 653 HZ2 LYS 0 HZ2 LYS 0 4.556 6.871 -7.201 654 HZ3 LYS 0 HZ3 LYS 0 5.225 8.213 -7.939 655 H GLY 1 HN GLY 1 1.600 10.456 -4.227 656 HA2 GLY 1 HA2 GLY 1 0.020 10.900 -2.656 657 HA3 GLY 1 HA1 GLY 1 0.354 12.575 -3.061 658 H ILE 2 HN ILE 2 -1.401 9.847 -4.549 659 HA ILE 2 HA ILE 2 -3.470 11.676 -5.398 660 HB ILE 2 HB ILE 2 -3.401 8.629 -5.423 661 HG12 ILE 2 HG12 ILE 2 -2.931 10.580 -7.692 662 HG13 ILE 2 HG11 ILE 2 -1.668 9.689 -6.854 663 HG21 ILE 2 HG21 ILE 2 -5.327 10.520 -6.786 664 HG22 ILE 2 HG22 ILE 2 -5.698 9.458 -5.429 665 HG23 ILE 2 HG23 ILE 2 -5.288 8.771 -6.997 666 HD11 ILE 2 HD11 ILE 2 -3.890 8.502 -8.511 667 HD12 ILE 2 HD12 ILE 2 -2.642 7.587 -7.666 668 HD13 ILE 2 HD13 ILE 2 -2.201 8.666 -8.988 669 H HIS 3 HN HIS 3 -4.789 12.465 -3.875 670 HA HIS 3 HA HIS 3 -5.080 10.952 -1.428 671 HB2 HIS 3 HB2 HIS 3 -5.805 13.801 -2.118 672 HB3 HIS 3 HB1 HIS 3 -6.308 13.028 -0.630 673 HD1 HIS 3 HD1 HIS 3 -4.932 14.252 1.079 674 HD2 HIS 3 HD2 HIS 3 -2.649 12.953 -2.143 675 HE1 HIS 3 HE1 HIS 3 -2.535 14.710 1.672 676 H SER 4 HN SER 4 -6.640 9.634 -1.178 677 HA SER 4 HA SER 4 -9.220 10.194 -2.463 678 HB2 SER 4 HB2 SER 4 -9.694 7.787 -2.095 679 HB3 SER 4 HB1 SER 4 -8.166 7.970 -2.968 680 HG SER 4 HG SER 4 -7.870 6.523 -1.373 681 H SER 5 HN SER 5 -10.410 8.319 -0.437 682 HA SER 5 HA SER 5 -9.930 9.529 2.074 683 HB2 SER 5 HB2 SER 5 -11.389 11.242 1.036 684 HB3 SER 5 HB1 SER 5 -12.615 9.997 0.761 685 HG SER 5 HG SER 5 -11.582 10.554 3.327 686 H VAL 6 HN VAL 6 -10.460 8.230 3.620 687 HA VAL 6 HA VAL 6 -11.484 5.599 3.013 688 HB VAL 6 HB VAL 6 -10.813 6.868 5.686 689 HG11 VAL 6 HG11 VAL 6 -10.775 4.582 6.551 690 HG12 VAL 6 HG12 VAL 6 -11.311 3.976 4.983 691 HG13 VAL 6 HG13 VAL 6 -12.368 5.020 5.937 692 HG21 VAL 6 HG21 VAL 6 -8.778 5.565 5.581 693 HG22 VAL 6 HG22 VAL 6 -8.912 6.685 4.210 694 HG23 VAL 6 HG23 VAL 6 -9.271 4.962 3.995 695 H LYS 7 HN LYS 7 -13.618 5.267 2.848 696 HA LYS 7 HA LYS 7 -15.278 7.092 4.417 697 HB2 LYS 7 HB2 LYS 7 -16.047 5.519 2.000 698 HB3 LYS 7 HB1 LYS 7 -17.023 6.802 2.762 699 HG2 LYS 7 HG2 LYS 7 -14.624 6.962 0.927 700 HG3 LYS 7 HG1 LYS 7 -16.213 7.688 0.733 701 HD2 LYS 7 HD2 LYS 7 -14.003 8.516 2.596 702 HD3 LYS 7 HD1 LYS 7 -14.548 9.347 1.153 703 HE2 LYS 7 HE2 LYS 7 -16.759 9.635 2.334 704 HE3 LYS 7 HE1 LYS 7 -15.941 9.051 3.781 705 HZ1 LYS 7 HZ1 LYS 7 -15.685 11.414 3.873 706 HZ2 LYS 7 HZ2 LYS 7 -15.400 11.462 2.227 707 HZ3 LYS 7 HZ3 LYS 7 -14.206 10.846 3.227 708 H ARG 8 HN ARG 8 -17.427 5.934 4.964 709 HA ARG 8 HA ARG 8 -16.645 3.329 6.000 710 HB2 ARG 8 HB2 ARG 8 -17.274 4.869 7.713 711 HB3 ARG 8 HB1 ARG 8 -18.833 5.179 6.940 712 HG2 ARG 8 HG2 ARG 8 -19.491 2.863 7.372 713 HG3 ARG 8 HG1 ARG 8 -17.887 2.570 8.056 714 HD2 ARG 8 HD2 ARG 8 -19.683 4.678 9.116 715 HD3 ARG 8 HD1 ARG 8 -19.782 3.005 9.693 716 HE ARG 8 HE ARG 8 -17.219 3.487 9.990 717 HH11 ARG 8 HH11 ARG 8 -20.003 5.488 10.899 718 HH12 ARG 8 HH12 ARG 8 -19.242 6.247 12.203 719 HH21 ARG 8 HH21 ARG 8 -16.139 4.511 11.830 720 HH22 ARG 8 HH22 ARG 8 -16.984 5.672 12.742 721 H TRP 9 HN TRP 9 -17.398 1.630 5.028 722 HA TRP 9 HA TRP 9 -19.921 1.721 3.515 723 HB2 TRP 9 HB2 TRP 9 -17.832 1.209 2.230 724 HB3 TRP 9 HB1 TRP 9 -17.527 -0.130 3.267 725 HD1 TRP 9 HD1 TRP 9 -21.089 0.224 2.062 726 HE1 TRP 9 HE1 TRP 9 -21.533 -1.564 0.284 727 HE3 TRP 9 HE3 TRP 9 -16.275 -1.731 1.304 728 HZ2 TRP 9 HZ2 TRP 9 -20.255 -3.500 -1.081 729 HZ3 TRP 9 HZ3 TRP 9 -16.076 -3.501 -0.185 730 HH2 TRP 9 HH2 TRP 9 -18.115 -4.405 -1.431 731 H GLY 10 HN GLY 10 -21.364 1.191 5.094 732 HA2 GLY 10 HA2 GLY 10 -22.525 -0.204 6.478 733 HA3 GLY 10 HA1 GLY 10 -21.295 -1.453 6.224 734 H ASN 11 HN ASN 11 -20.321 -1.930 8.059 735 HA ASN 11 HA ASN 11 -19.587 0.321 9.806 736 HB2 ASN 11 HB2 ASN 11 -19.884 -2.628 10.379 737 HB3 ASN 11 HB1 ASN 11 -19.133 -1.504 11.506 738 HD21 ASN 11 HD21 ASN 11 -21.592 -3.118 11.622 739 HD22 ASN 11 HD22 ASN 11 -22.841 -2.003 12.046 740 H SER 12 HN SER 12 -18.044 -0.462 7.242 741 HA SER 12 HA SER 12 -15.601 -1.208 8.570 742 HB2 SER 12 HB2 SER 12 -16.558 -1.998 5.861 743 HB3 SER 12 HB1 SER 12 -15.084 -2.565 6.682 744 HG SER 12 HG SER 12 -16.506 -3.448 8.278 745 HA PRO 13 HA PRO 13 -14.276 2.485 6.336 746 HB2 PRO 13 HB2 PRO 13 -11.584 1.906 6.605 747 HB3 PRO 13 HB1 PRO 13 -12.529 2.793 7.798 748 HG2 PRO 13 HG2 PRO 13 -11.641 -0.032 7.807 749 HG3 PRO 13 HG1 PRO 13 -11.914 1.069 9.163 750 HD2 PRO 13 HD2 PRO 13 -13.642 -0.937 8.417 751 HD3 PRO 13 HD1 PRO 13 -14.154 0.513 9.292 752 H ALA 14 HN ALA 14 -14.309 2.501 4.183 753 HA ALA 14 HA ALA 14 -12.831 0.425 2.777 754 HB1 ALA 14 HB1 ALA 14 -15.230 -0.054 2.712 755 HB2 ALA 14 HB2 ALA 14 -14.590 0.349 1.122 756 HB3 ALA 14 HB3 ALA 14 -15.524 1.543 2.021 757 H VAL 15 HN VAL 15 -11.572 1.149 1.291 758 HA VAL 15 HA VAL 15 -11.620 4.010 0.680 759 HB VAL 15 HB VAL 15 -9.355 1.992 0.383 760 HG11 VAL 15 HG11 VAL 15 -9.149 3.590 -1.422 761 HG12 VAL 15 HG12 VAL 15 -7.951 4.003 -0.190 762 HG13 VAL 15 HG13 VAL 15 -9.441 4.929 -0.321 763 HG21 VAL 15 HG21 VAL 15 -9.794 2.715 2.680 764 HG22 VAL 15 HG22 VAL 15 -9.644 4.392 2.153 765 HG23 VAL 15 HG23 VAL 15 -8.242 3.321 2.088 766 H ARG 16 HN ARG 16 -11.916 4.687 -1.346 767 HA ARG 16 HA ARG 16 -12.868 2.851 -3.295 768 HB2 ARG 16 HB2 ARG 16 -12.374 5.786 -3.251 769 HB3 ARG 16 HB1 ARG 16 -13.016 4.964 -4.688 770 HG2 ARG 16 HG2 ARG 16 -14.862 4.213 -3.193 771 HG3 ARG 16 HG1 ARG 16 -14.213 5.304 -1.958 772 HD2 ARG 16 HD2 ARG 16 -15.115 6.020 -4.719 773 HD3 ARG 16 HD1 ARG 16 -15.984 6.307 -3.208 774 HE ARG 16 HE ARG 16 -14.194 7.879 -2.602 775 HH11 ARG 16 HH11 ARG 16 -14.402 7.015 -6.057 776 HH12 ARG 16 HH12 ARG 16 -13.654 8.461 -6.558 777 HH21 ARG 16 HH21 ARG 16 -13.189 9.873 -3.401 778 HH22 ARG 16 HH22 ARG 16 -12.981 10.063 -5.083 779 H ILE 17 HN ILE 17 -11.424 1.703 -4.492 780 HA ILE 17 HA ILE 17 -8.762 2.780 -4.979 781 HB ILE 17 HB ILE 17 -9.950 0.006 -5.224 782 HG12 ILE 17 HG12 ILE 17 -7.828 -0.623 -3.958 783 HG13 ILE 17 HG11 ILE 17 -7.602 1.103 -3.721 784 HG21 ILE 17 HG21 ILE 17 -7.310 0.743 -6.396 785 HG22 ILE 17 HG22 ILE 17 -8.757 0.174 -7.267 786 HG23 ILE 17 HG23 ILE 17 -7.925 -0.886 -6.112 787 HD11 ILE 17 HD11 ILE 17 -10.014 -0.418 -2.974 788 HD12 ILE 17 HD12 ILE 17 -9.607 1.251 -2.492 789 HD13 ILE 17 HD13 ILE 17 -8.671 -0.127 -1.877 790 HA PRO 18 HA PRO 18 -9.926 3.794 -9.188 791 HB2 PRO 18 HB2 PRO 18 -7.373 3.885 -10.229 792 HB3 PRO 18 HB1 PRO 18 -8.120 5.225 -9.360 793 HG2 PRO 18 HG2 PRO 18 -6.173 3.184 -8.369 794 HG3 PRO 18 HG1 PRO 18 -6.260 4.920 -8.012 795 HD2 PRO 18 HD2 PRO 18 -7.134 3.022 -6.300 796 HD3 PRO 18 HD1 PRO 18 -7.893 4.621 -6.414 797 H ALA 19 HN ALA 19 -10.668 2.280 -10.529 798 HA ALA 19 HA ALA 19 -9.869 -0.414 -10.398 799 HB1 ALA 19 HB1 ALA 19 -11.562 0.845 -12.561 800 HB2 ALA 19 HB2 ALA 19 -12.143 0.367 -10.970 801 HB3 ALA 19 HB3 ALA 19 -11.520 -0.858 -12.066 802 H THR 20 HN THR 20 -8.852 2.189 -12.323 803 HA THR 20 HA THR 20 -7.694 1.095 -14.536 804 HB THR 20 HB THR 20 -6.588 3.312 -12.812 805 HG1 THR 20 HG1 THR 20 -8.110 4.613 -13.828 806 HG21 THR 20 HG21 THR 20 -6.610 2.872 -15.811 807 HG22 THR 20 HG22 THR 20 -5.207 2.727 -14.747 808 HG23 THR 20 HG23 THR 20 -5.970 4.296 -14.985 809 H LEU 21 HN LEU 21 -6.574 0.919 -11.183 810 HA LEU 21 HA LEU 21 -3.899 -0.065 -11.839 811 HB2 LEU 21 HB2 LEU 21 -5.391 0.522 -9.320 812 HB3 LEU 21 HB1 LEU 21 -3.944 -0.456 -9.275 813 HG LEU 21 HG LEU 21 -3.682 1.875 -8.714 814 HD11 LEU 21 HD11 LEU 21 -2.175 0.915 -11.177 815 HD12 LEU 21 HD12 LEU 21 -1.762 0.540 -9.506 816 HD13 LEU 21 HD13 LEU 21 -1.594 2.192 -10.108 817 HD21 LEU 21 HD21 LEU 21 -5.157 2.981 -10.255 818 HD22 LEU 21 HD22 LEU 21 -4.262 2.316 -11.614 819 HD23 LEU 21 HD23 LEU 21 -3.510 3.555 -10.593 820 H MET 22 HN MET 22 -6.857 -1.257 -10.750 821 HA MET 22 HA MET 22 -6.168 -4.029 -10.367 822 HB2 MET 22 HB2 MET 22 -8.726 -2.974 -11.594 823 HB3 MET 22 HB1 MET 22 -8.487 -4.530 -10.823 824 HG2 MET 22 HG2 MET 22 -8.258 -3.410 -8.643 825 HG3 MET 22 HG1 MET 22 -8.433 -1.851 -9.425 826 HE1 MET 22 HE1 MET 22 -10.318 -5.169 -10.305 827 HE2 MET 22 HE2 MET 22 -11.733 -5.035 -9.267 828 HE3 MET 22 HE3 MET 22 -10.128 -5.232 -8.553 829 H GLN 23 HN GLN 23 -7.267 -2.205 -13.076 830 HA GLN 23 HA GLN 23 -6.947 -4.178 -15.061 831 HB2 GLN 23 HB2 GLN 23 -7.090 -1.194 -15.159 832 HB3 GLN 23 HB1 GLN 23 -7.027 -2.198 -16.602 833 HG2 GLN 23 HG2 GLN 23 -8.961 -3.362 -15.900 834 HG3 GLN 23 HG1 GLN 23 -9.067 -2.411 -14.433 835 HE21 GLN 23 HE21 GLN 23 -11.133 -1.763 -15.063 836 HE22 GLN 23 HE22 GLN 23 -11.371 -0.502 -16.220 837 H ALA 24 HN ALA 24 -4.787 -1.965 -13.602 838 HA ALA 24 HA ALA 24 -2.754 -2.025 -15.571 839 HB1 ALA 24 HB1 ALA 24 -2.388 -1.539 -12.616 840 HB2 ALA 24 HB2 ALA 24 -2.801 -0.308 -13.810 841 HB3 ALA 24 HB3 ALA 24 -1.238 -1.127 -13.889 842 H LEU 25 HN LEU 25 -3.479 -4.192 -12.899 843 HA LEU 25 HA LEU 25 -1.146 -5.821 -13.627 844 HB2 LEU 25 HB2 LEU 25 -3.272 -6.505 -11.619 845 HB3 LEU 25 HB1 LEU 25 -1.763 -7.329 -11.848 846 HG LEU 25 HG LEU 25 -2.408 -4.863 -10.343 847 HD11 LEU 25 HD11 LEU 25 -0.788 -7.312 -9.914 848 HD12 LEU 25 HD12 LEU 25 -2.308 -6.874 -9.147 849 HD13 LEU 25 HD13 LEU 25 -0.804 -5.978 -8.787 850 HD21 LEU 25 HD21 LEU 25 -0.041 -4.305 -10.115 851 HD22 LEU 25 HD22 LEU 25 -0.636 -3.993 -11.745 852 HD23 LEU 25 HD23 LEU 25 0.375 -5.425 -11.422 853 H ASN 26 HN ASN 26 -4.354 -5.431 -14.365 854 HA ASN 26 HA ASN 26 -5.920 -6.484 -15.487 855 HB2 ASN 26 HB2 ASN 26 -3.635 -8.210 -16.403 856 HB3 ASN 26 HB1 ASN 26 -5.288 -8.644 -16.818 857 HD21 ASN 26 HD21 ASN 26 -2.713 -6.361 -17.305 858 HD22 ASN 26 HD22 ASN 26 -3.453 -5.551 -18.634 859 H LEU 27 HN LEU 27 -6.639 -6.719 -13.266 860 HA LEU 27 HA LEU 27 -7.445 -9.448 -12.957 861 HB2 LEU 27 HB2 LEU 27 -7.366 -9.063 -10.550 862 HB3 LEU 27 HB1 LEU 27 -5.759 -9.075 -11.289 863 HG LEU 27 HG LEU 27 -6.194 -6.452 -11.162 864 HD11 LEU 27 HD11 LEU 27 -7.824 -7.574 -8.895 865 HD12 LEU 27 HD12 LEU 27 -8.431 -6.633 -10.248 866 HD13 LEU 27 HD13 LEU 27 -7.344 -5.889 -9.068 867 HD21 LEU 27 HD21 LEU 27 -5.357 -8.100 -8.790 868 HD22 LEU 27 HD22 LEU 27 -4.890 -6.426 -9.170 869 HD23 LEU 27 HD23 LEU 27 -4.347 -7.750 -10.191 870 H ASN 28 HN ASN 28 -9.467 -9.262 -11.239 871 HA ASN 28 HA ASN 28 -11.127 -6.965 -11.988 872 HB2 ASN 28 HB2 ASN 28 -11.708 -9.839 -12.626 873 HB3 ASN 28 HB1 ASN 28 -13.018 -8.795 -12.138 874 HD21 ASN 28 HD21 ASN 28 -10.318 -7.634 -14.133 875 HD22 ASN 28 HD22 ASN 28 -11.289 -7.472 -15.542 876 H ILE 29 HN ILE 29 -13.238 -7.106 -10.770 877 HA ILE 29 HA ILE 29 -12.857 -6.989 -8.033 878 HB ILE 29 HB ILE 29 -15.351 -7.387 -9.690 879 HG12 ILE 29 HG12 ILE 29 -14.293 -5.183 -9.926 880 HG13 ILE 29 HG11 ILE 29 -15.844 -5.055 -9.125 881 HG21 ILE 29 HG21 ILE 29 -15.406 -6.810 -6.721 882 HG22 ILE 29 HG22 ILE 29 -15.794 -8.349 -7.470 883 HG23 ILE 29 HG23 ILE 29 -16.803 -6.949 -7.800 884 HD11 ILE 29 HD11 ILE 29 -13.149 -4.965 -7.794 885 HD12 ILE 29 HD12 ILE 29 -14.707 -4.865 -6.978 886 HD13 ILE 29 HD13 ILE 29 -14.224 -3.602 -8.112 887 H ASP 30 HN ASP 30 -13.320 -8.281 -6.310 888 HA ASP 30 HA ASP 30 -13.914 -10.019 -5.063 889 HB2 ASP 30 HB2 ASP 30 -15.597 -10.769 -6.776 890 HB3 ASP 30 HB1 ASP 30 -14.329 -11.672 -7.583 891 H ASP 31 HN ASP 31 -11.297 -9.301 -6.555 892 HA ASP 31 HA ASP 31 -9.815 -11.711 -6.337 893 HB2 ASP 31 HB2 ASP 31 -7.937 -10.283 -7.103 894 HB3 ASP 31 HB1 ASP 31 -9.362 -9.916 -8.034 895 H GLU 32 HN GLU 32 -7.517 -10.798 -4.988 896 HA GLU 32 HA GLU 32 -8.624 -10.098 -2.441 897 HB2 GLU 32 HB2 GLU 32 -7.429 -11.962 -1.266 898 HB3 GLU 32 HB1 GLU 32 -8.696 -12.507 -2.346 899 HG2 GLU 32 HG2 GLU 32 -6.791 -12.974 -4.026 900 HG3 GLU 32 HG1 GLU 32 -5.767 -12.768 -2.591 901 H VAL 33 HN VAL 33 -6.913 -9.459 -0.881 902 HA VAL 33 HA VAL 33 -4.534 -8.654 -2.342 903 HB VAL 33 HB VAL 33 -4.598 -6.352 -1.929 904 HG11 VAL 33 HG11 VAL 33 -6.391 -6.910 -3.529 905 HG12 VAL 33 HG12 VAL 33 -6.687 -5.424 -2.615 906 HG13 VAL 33 HG13 VAL 33 -7.499 -6.914 -2.156 907 HG21 VAL 33 HG21 VAL 33 -5.950 -5.163 -0.347 908 HG22 VAL 33 HG22 VAL 33 -5.100 -6.461 0.501 909 HG23 VAL 33 HG23 VAL 33 -6.816 -6.628 0.056 910 H LYS 34 HN LYS 34 -2.738 -8.458 -1.252 911 HA LYS 34 HA LYS 34 -2.776 -9.657 1.398 912 HB2 LYS 34 HB2 LYS 34 -0.533 -8.914 -0.455 913 HB3 LYS 34 HB1 LYS 34 -0.301 -9.683 1.105 914 HG2 LYS 34 HG2 LYS 34 -1.495 -11.648 0.347 915 HG3 LYS 34 HG1 LYS 34 -1.849 -10.885 -1.196 916 HD2 LYS 34 HD2 LYS 34 0.905 -11.506 -0.140 917 HD3 LYS 34 HD1 LYS 34 0.032 -12.469 -1.331 918 HE2 LYS 34 HE2 LYS 34 -0.021 -10.513 -2.841 919 HE3 LYS 34 HE1 LYS 34 0.904 -9.599 -1.650 920 HZ1 LYS 34 HZ1 LYS 34 2.730 -11.137 -1.933 921 HZ2 LYS 34 HZ2 LYS 34 2.285 -10.433 -3.388 922 HZ3 LYS 34 HZ3 LYS 34 1.851 -12.034 -3.064 923 H ILE 35 HN ILE 35 -3.265 -8.155 2.914 924 HA ILE 35 HA ILE 35 -2.113 -5.502 2.817 925 HB ILE 35 HB ILE 35 -3.760 -6.758 5.053 926 HG12 ILE 35 HG12 ILE 35 -5.519 -5.002 4.263 927 HG13 ILE 35 HG11 ILE 35 -4.629 -5.032 2.748 928 HG21 ILE 35 HG21 ILE 35 -4.059 -4.492 5.909 929 HG22 ILE 35 HG22 ILE 35 -2.964 -3.900 4.658 930 HG23 ILE 35 HG23 ILE 35 -2.371 -5.008 5.897 931 HD11 ILE 35 HD11 ILE 35 -5.865 -7.430 4.060 932 HD12 ILE 35 HD12 ILE 35 -5.120 -7.361 2.462 933 HD13 ILE 35 HD13 ILE 35 -6.611 -6.485 2.784 934 H ASP 36 HN ASP 36 -0.174 -5.225 3.485 935 HA ASP 36 HA ASP 36 0.704 -6.607 5.951 936 HB2 ASP 36 HB2 ASP 36 1.918 -7.144 3.532 937 HB3 ASP 36 HB1 ASP 36 2.797 -5.728 4.063 938 H LEU 37 HN LEU 37 1.694 -5.154 7.504 939 HA LEU 37 HA LEU 37 1.512 -2.438 6.792 940 HB2 LEU 37 HB2 LEU 37 0.375 -3.450 8.822 941 HB3 LEU 37 HB1 LEU 37 1.991 -3.883 9.344 942 HG LEU 37 HG LEU 37 0.887 -1.892 10.473 943 HD11 LEU 37 HD11 LEU 37 3.003 -0.664 10.662 944 HD12 LEU 37 HD12 LEU 37 3.597 -1.575 9.255 945 HD13 LEU 37 HD13 LEU 37 3.219 -2.423 10.741 946 HD21 LEU 37 HD21 LEU 37 1.042 0.231 9.352 947 HD22 LEU 37 HD22 LEU 37 0.094 -0.936 8.384 948 HD23 LEU 37 HD23 LEU 37 1.763 -0.579 7.953 949 H VAL 38 HN VAL 38 3.241 -1.376 6.598 950 HA VAL 38 HA VAL 38 5.844 -2.333 7.521 951 HB VAL 38 HB VAL 38 5.418 -1.414 4.651 952 HG11 VAL 38 HG11 VAL 38 7.517 -0.584 5.587 953 HG12 VAL 38 HG12 VAL 38 7.834 -1.811 4.354 954 HG13 VAL 38 HG13 VAL 38 7.962 -2.219 6.068 955 HG21 VAL 38 HG21 VAL 38 6.231 -3.656 4.014 956 HG22 VAL 38 HG22 VAL 38 4.751 -3.751 4.970 957 HG23 VAL 38 HG23 VAL 38 6.310 -4.094 5.720 958 H ASP 39 HN ASP 39 6.285 -0.802 8.872 959 HA ASP 39 HA ASP 39 6.629 1.173 9.829 960 HB2 ASP 39 HB2 ASP 39 8.592 1.090 8.440 961 HB3 ASP 39 HB1 ASP 39 7.720 1.771 7.075 962 H GLY 40 HN GLY 40 4.199 1.296 9.817 963 HA2 GLY 40 HA2 GLY 40 2.516 2.857 10.116 964 HA3 GLY 40 HA1 GLY 40 3.556 4.053 9.376 965 H LYS 41 HN LYS 41 3.596 1.934 6.966 966 HA LYS 41 HA LYS 41 1.030 2.877 5.981 967 HB2 LYS 41 HB2 LYS 41 1.962 2.808 3.627 968 HB3 LYS 41 HB1 LYS 41 2.547 4.115 4.636 969 HG2 LYS 41 HG2 LYS 41 4.160 1.616 4.379 970 HG3 LYS 41 HG1 LYS 41 4.123 2.758 3.039 971 HD2 LYS 41 HD2 LYS 41 4.894 4.537 4.495 972 HD3 LYS 41 HD1 LYS 41 4.900 3.461 5.886 973 HE2 LYS 41 HE2 LYS 41 6.596 2.078 4.790 974 HE3 LYS 41 HE1 LYS 41 6.575 3.156 3.400 975 HZ1 LYS 41 HZ1 LYS 41 7.450 3.876 6.169 976 HZ2 LYS 41 HZ2 LYS 41 7.308 4.961 4.898 977 HZ3 LYS 41 HZ3 LYS 41 8.409 3.699 4.795 978 H LEU 42 HN LEU 42 -0.075 1.650 4.481 979 HA LEU 42 HA LEU 42 0.291 -1.168 5.010 980 HB2 LEU 42 HB2 LEU 42 -2.010 0.454 3.978 981 HB3 LEU 42 HB1 LEU 42 -2.038 -1.296 4.061 982 HG LEU 42 HG LEU 42 -1.496 0.422 6.409 983 HD11 LEU 42 HD11 LEU 42 -3.921 0.078 7.017 984 HD12 LEU 42 HD12 LEU 42 -4.166 -0.716 5.462 985 HD13 LEU 42 HD13 LEU 42 -3.745 0.996 5.524 986 HD21 LEU 42 HD21 LEU 42 -2.220 -1.553 7.686 987 HD22 LEU 42 HD22 LEU 42 -0.830 -1.885 6.653 988 HD23 LEU 42 HD23 LEU 42 -2.437 -2.428 6.173 989 H ILE 43 HN ILE 43 0.974 -2.345 3.594 990 HA ILE 43 HA ILE 43 1.407 -1.351 0.882 991 HB ILE 43 HB ILE 43 2.219 -3.991 2.058 992 HG12 ILE 43 HG12 ILE 43 3.217 -2.208 3.308 993 HG13 ILE 43 HG11 ILE 43 4.471 -3.035 2.368 994 HG21 ILE 43 HG21 ILE 43 3.180 -2.605 -0.438 995 HG22 ILE 43 HG22 ILE 43 2.167 -4.051 -0.338 996 HG23 ILE 43 HG23 ILE 43 3.833 -4.112 0.222 997 HD11 ILE 43 HD11 ILE 43 4.853 -0.650 2.362 998 HD12 ILE 43 HD12 ILE 43 3.206 -0.342 1.841 999 HD13 ILE 43 HD13 ILE 43 4.342 -1.135 0.744 1000 H ILE 44 HN ILE 44 -0.127 -1.617 -0.364 1001 HA ILE 44 HA ILE 44 -1.954 -3.887 -0.005 1002 HB ILE 44 HB ILE 44 -2.526 -1.109 -1.075 1003 HG12 ILE 44 HG12 ILE 44 -2.363 -1.155 1.351 1004 HG13 ILE 44 HG11 ILE 44 -4.029 -0.881 0.862 1005 HG21 ILE 44 HG21 ILE 44 -4.376 -3.473 -0.941 1006 HG22 ILE 44 HG22 ILE 44 -3.859 -2.529 -2.364 1007 HG23 ILE 44 HG23 ILE 44 -4.898 -1.801 -1.154 1008 HD11 ILE 44 HD11 ILE 44 -4.518 -3.245 1.325 1009 HD12 ILE 44 HD12 ILE 44 -3.935 -2.373 2.743 1010 HD13 ILE 44 HD13 ILE 44 -2.853 -3.461 1.875 1011 H GLU 45 HN GLU 45 -1.313 -5.340 -1.363 1012 HA GLU 45 HA GLU 45 -0.804 -4.603 -4.181 1013 HB2 GLU 45 HB2 GLU 45 1.160 -5.470 -2.914 1014 HB3 GLU 45 HB1 GLU 45 0.254 -6.938 -2.585 1015 HG2 GLU 45 HG2 GLU 45 0.089 -7.309 -5.031 1016 HG3 GLU 45 HG1 GLU 45 1.139 -5.911 -5.268 1017 HA PRO 46 HA PRO 46 -4.664 -7.041 -4.547 1018 HB2 PRO 46 HB2 PRO 46 -4.703 -6.603 -7.235 1019 HB3 PRO 46 HB1 PRO 46 -5.502 -5.569 -6.041 1020 HG2 PRO 46 HG2 PRO 46 -2.809 -5.306 -7.271 1021 HG3 PRO 46 HG1 PRO 46 -4.134 -4.102 -7.072 1022 HD2 PRO 46 HD2 PRO 46 -2.201 -3.912 -5.243 1023 HD3 PRO 46 HD1 PRO 46 -3.874 -4.065 -4.768 1024 H VAL 47 HN VAL 47 -4.932 -8.865 -5.288 1025 HA VAL 47 HA VAL 47 -3.071 -10.211 -6.988 1026 HB VAL 47 HB VAL 47 -1.937 -10.655 -4.990 1027 HG11 VAL 47 HG11 VAL 47 -3.757 -10.158 -3.429 1028 HG12 VAL 47 HG12 VAL 47 -2.702 -11.517 -2.999 1029 HG13 VAL 47 HG13 VAL 47 -4.290 -11.835 -3.674 1030 HG21 VAL 47 HG21 VAL 47 -2.008 -12.970 -4.623 1031 HG22 VAL 47 HG22 VAL 47 -2.076 -12.615 -6.378 1032 HG23 VAL 47 HG23 VAL 47 -3.548 -13.081 -5.462 1033 H ARG 48 HN ARG 48 -4.064 -11.268 -8.465 1034 HA ARG 48 HA ARG 48 -6.884 -11.531 -8.231 1035 HB2 ARG 48 HB2 ARG 48 -6.924 -12.277 -10.491 1036 HB3 ARG 48 HB1 ARG 48 -5.869 -10.886 -10.360 1037 HG2 ARG 48 HG2 ARG 48 -3.923 -12.284 -10.563 1038 HG3 ARG 48 HG1 ARG 48 -4.921 -13.741 -10.500 1039 HD2 ARG 48 HD2 ARG 48 -5.109 -11.603 -12.605 1040 HD3 ARG 48 HD1 ARG 48 -4.222 -13.114 -12.805 1041 HE ARG 48 HE ARG 48 -6.621 -14.095 -12.264 1042 HH11 ARG 48 HH11 ARG 48 -5.908 -11.285 -14.372 1043 HH12 ARG 48 HH12 ARG 48 -7.216 -11.605 -15.394 1044 HH21 ARG 48 HH21 ARG 48 -8.451 -14.434 -13.669 1045 HH22 ARG 48 HH22 ARG 48 -8.672 -13.382 -14.998 1046 H LYS 49 HN LYS 49 -8.118 -13.352 -8.548 1047 HA LYS 49 HA LYS 49 -6.904 -15.842 -8.240 1048 HB2 LYS 49 HB2 LYS 49 -8.919 -16.355 -6.695 1049 HB3 LYS 49 HB1 LYS 49 -7.509 -15.591 -5.964 1050 HG2 LYS 49 HG2 LYS 49 -9.275 -14.452 -5.028 1051 HG3 LYS 49 HG1 LYS 49 -8.857 -13.396 -6.356 1052 HD2 LYS 49 HD2 LYS 49 -11.172 -13.535 -6.540 1053 HD3 LYS 49 HD1 LYS 49 -10.635 -14.789 -7.645 1054 HE2 LYS 49 HE2 LYS 49 -10.961 -16.496 -5.970 1055 HE3 LYS 49 HE1 LYS 49 -11.410 -15.280 -4.777 1056 HZ1 LYS 49 HZ1 LYS 49 -12.842 -15.939 -7.264 1057 HZ2 LYS 49 HZ2 LYS 49 -13.369 -14.750 -6.161 1058 HZ3 LYS 49 HZ3 LYS 49 -13.336 -16.380 -5.724 1059 H GLU 50 HN GLU 50 -8.068 -17.298 -9.213 1060 HA GLU 50 HA GLU 50 -8.737 -18.051 -11.233 1061 HB2 GLU 50 HB2 GLU 50 -11.047 -16.104 -10.875 1062 HB3 GLU 50 HB1 GLU 50 -10.958 -17.320 -12.128 1063 HG2 GLU 50 HG2 GLU 50 -12.338 -18.349 -10.628 1064 HG3 GLU 50 HG1 GLU 50 -10.774 -18.952 -10.087 Start of MODEL 9 1 H1 ASN -16 HT1 ASN -16 -1.897 -36.005 8.016 2 H2 ASN -16 HT2 ASN -16 -0.820 -37.032 7.197 3 H3 ASN -16 HT3 ASN -16 -2.447 -36.973 6.748 4 HA ASN -16 HA ASN -16 -2.258 -34.765 5.981 5 HB2 ASN -16 HB2 ASN -16 0.727 -35.097 6.457 6 HB3 ASN -16 HB1 ASN -16 -0.062 -33.710 5.738 7 HD21 ASN -16 HD21 ASN -16 1.676 -33.734 7.962 8 HD22 ASN -16 HD22 ASN -16 0.802 -33.122 9.314 9 H HIS -15 HN HIS -15 -1.742 -34.494 3.760 10 HA HIS -15 HA HIS -15 -0.504 -36.813 2.482 11 HB2 HIS -15 HB2 HIS -15 -2.340 -37.013 0.866 12 HB3 HIS -15 HB1 HIS -15 -2.948 -37.247 2.495 13 HD1 HIS -15 HD1 HIS -15 -3.555 -35.286 -0.562 14 HD2 HIS -15 HD2 HIS -15 -4.403 -34.915 3.492 15 HE1 HIS -15 HE1 HIS -15 -5.359 -33.548 -0.383 16 H LYS -14 HN LYS -14 -0.441 -36.267 0.000 17 HA LYS -14 HA LYS -14 0.707 -33.639 -0.263 18 HB2 LYS -14 HB2 LYS -14 1.793 -35.525 -1.408 19 HB3 LYS -14 HB1 LYS -14 0.305 -35.873 -2.276 20 HG2 LYS -14 HG2 LYS -14 0.487 -33.750 -3.464 21 HG3 LYS -14 HG1 LYS -14 1.953 -33.352 -2.577 22 HD2 LYS -14 HD2 LYS -14 2.559 -34.173 -4.765 23 HD3 LYS -14 HD1 LYS -14 3.033 -35.365 -3.559 24 HE2 LYS -14 HE2 LYS -14 2.044 -36.482 -5.467 25 HE3 LYS -14 HE1 LYS -14 0.992 -36.664 -4.074 26 HZ1 LYS -14 HZ1 LYS -14 0.591 -34.769 -6.345 27 HZ2 LYS -14 HZ2 LYS -14 -0.394 -34.833 -4.995 28 HZ3 LYS -14 HZ3 LYS -14 -0.307 -36.142 -6.008 29 H VAL -13 HN VAL -13 -0.805 -32.077 -0.288 30 HA VAL -13 HA VAL -13 -3.273 -32.517 -1.726 31 HB VAL -13 HB VAL -13 -3.342 -31.179 0.357 32 HG11 VAL -13 HG11 VAL -13 -1.259 -30.077 0.414 33 HG12 VAL -13 HG12 VAL -13 -2.481 -28.804 0.302 34 HG13 VAL -13 HG13 VAL -13 -1.561 -29.283 -1.121 35 HG21 VAL -13 HG21 VAL -13 -4.079 -29.568 -2.082 36 HG22 VAL -13 HG22 VAL -13 -4.679 -29.273 -0.452 37 HG23 VAL -13 HG23 VAL -13 -5.083 -30.777 -1.282 38 H HIS -12 HN HIS -12 -0.250 -30.993 -2.114 39 HA HIS -12 HA HIS -12 0.869 -30.032 -3.723 40 HB2 HIS -12 HB2 HIS -12 0.454 -32.131 -4.948 41 HB3 HIS -12 HB1 HIS -12 -1.016 -31.433 -5.628 42 HD1 HIS -12 HD1 HIS -12 -0.699 -30.361 -7.874 43 HD2 HIS -12 HD2 HIS -12 2.831 -30.537 -5.699 44 HE1 HIS -12 HE1 HIS -12 1.093 -29.425 -9.374 45 H HIS -11 HN HIS -11 0.764 -28.010 -3.582 46 HA HIS -11 HA HIS -11 -1.104 -26.594 -5.283 47 HB2 HIS -11 HB2 HIS -11 -1.176 -24.725 -3.633 48 HB3 HIS -11 HB1 HIS -11 -1.883 -26.185 -2.971 49 HD1 HIS -11 HD1 HIS -11 0.895 -23.750 -2.414 50 HD2 HIS -11 HD2 HIS -11 -0.398 -27.399 -0.910 51 HE1 HIS -11 HE1 HIS -11 2.110 -24.077 -0.241 52 H HIS -10 HN HIS -10 -0.097 -24.443 -5.866 53 HA HIS -10 HA HIS -10 2.680 -25.058 -6.423 54 HB2 HIS -10 HB2 HIS -10 1.098 -22.675 -7.412 55 HB3 HIS -10 HB1 HIS -10 2.599 -23.299 -8.067 56 HD1 HIS -10 HD1 HIS -10 -0.716 -23.079 -8.989 57 HD2 HIS -10 HD2 HIS -10 1.957 -26.257 -8.881 58 HE1 HIS -10 HE1 HIS -10 -1.659 -24.856 -10.544 59 H HIS -9 HN HIS -9 4.307 -23.549 -6.003 60 HA HIS -9 HA HIS -9 5.521 -22.163 -4.751 61 HB2 HIS -9 HB2 HIS -9 2.944 -20.577 -4.608 62 HB3 HIS -9 HB1 HIS -9 4.493 -19.985 -4.025 63 HD1 HIS -9 HD1 HIS -9 2.498 -20.454 -7.173 64 HD2 HIS -9 HD2 HIS -9 6.367 -19.401 -6.033 65 HE1 HIS -9 HE1 HIS -9 3.622 -19.543 -9.218 66 H HIS -8 HN HIS -8 5.704 -23.917 -3.224 67 HA HIS -8 HA HIS -8 4.115 -23.760 -0.868 68 HB2 HIS -8 HB2 HIS -8 5.722 -25.397 0.138 69 HB3 HIS -8 HB1 HIS -8 5.119 -25.941 -1.413 70 HD1 HIS -8 HD1 HIS -8 6.902 -26.264 -3.305 71 HD2 HIS -8 HD2 HIS -8 8.444 -24.764 0.253 72 HE1 HIS -8 HE1 HIS -8 9.384 -26.405 -3.505 73 H HIS -7 HN HIS -7 4.384 -22.535 0.835 74 HA HIS -7 HA HIS -7 6.762 -20.877 0.861 75 HB2 HIS -7 HB2 HIS -7 5.291 -18.876 1.364 76 HB3 HIS -7 HB1 HIS -7 5.196 -19.490 -0.278 77 HD1 HIS -7 HD1 HIS -7 2.912 -20.691 -0.964 78 HD2 HIS -7 HD2 HIS -7 2.943 -18.955 2.826 79 HE1 HIS -7 HE1 HIS -7 0.508 -20.559 -0.234 80 H MET -6 HN MET -6 7.579 -20.489 2.736 81 HA MET -6 HA MET -6 6.305 -21.753 5.044 82 HB2 MET -6 HB2 MET -6 9.126 -20.687 4.728 83 HB3 MET -6 HB1 MET -6 8.505 -21.579 6.109 84 HG2 MET -6 HG2 MET -6 8.165 -23.542 4.693 85 HG3 MET -6 HG1 MET -6 8.772 -22.648 3.304 86 HE1 MET -6 HE1 MET -6 10.106 -22.603 7.040 87 HE2 MET -6 HE2 MET -6 11.306 -23.894 6.950 88 HE3 MET -6 HE3 MET -6 9.595 -24.265 6.745 89 H SER -5 HN SER -5 6.467 -18.863 3.584 90 HA SER -5 HA SER -5 6.706 -17.117 5.836 91 HB2 SER -5 HB2 SER -5 5.648 -16.622 3.069 92 HB3 SER -5 HB1 SER -5 6.132 -15.382 4.206 93 HG SER -5 HG SER -5 8.112 -17.157 3.929 94 H ASP -4 HN ASP -4 5.029 -18.355 7.053 95 HA ASP -4 HA ASP -4 2.265 -17.969 6.239 96 HB2 ASP -4 HB2 ASP -4 2.900 -20.040 7.420 97 HB3 ASP -4 HB1 ASP -4 3.407 -19.090 8.811 98 H ASP -3 HN ASP -3 4.504 -16.817 8.473 99 HA ASP -3 HA ASP -3 2.611 -14.798 9.491 100 HB2 ASP -3 HB2 ASP -3 3.651 -16.150 11.220 101 HB3 ASP -3 HB1 ASP -3 5.253 -15.729 10.625 102 H ASP -2 HN ASP -2 5.782 -15.215 8.059 103 HA ASP -2 HA ASP -2 6.897 -12.711 8.061 104 HB2 ASP -2 HB2 ASP -2 6.898 -14.773 5.873 105 HB3 ASP -2 HB1 ASP -2 8.041 -13.461 6.067 106 H ASP -1 HN ASP -1 4.614 -14.166 5.890 107 HA ASP -1 HA ASP -1 4.222 -11.635 4.462 108 HB2 ASP -1 HB2 ASP -1 5.534 -13.514 3.243 109 HB3 ASP -1 HB1 ASP -1 4.037 -14.429 3.283 110 H LYS 0 HN LYS 0 1.995 -12.424 3.074 111 HA LYS 0 HA LYS 0 -0.249 -12.663 3.198 112 HB2 LYS 0 HB2 LYS 0 0.533 -14.870 5.079 113 HB3 LYS 0 HB1 LYS 0 -1.001 -14.708 4.220 114 HG2 LYS 0 HG2 LYS 0 0.107 -14.958 2.116 115 HG3 LYS 0 HG1 LYS 0 1.682 -14.990 2.896 116 HD2 LYS 0 HD2 LYS 0 1.022 -17.271 2.365 117 HD3 LYS 0 HD1 LYS 0 1.047 -17.042 4.110 118 HE2 LYS 0 HE2 LYS 0 -1.397 -16.713 4.071 119 HE3 LYS 0 HE1 LYS 0 -1.391 -17.027 2.334 120 HZ1 LYS 0 HZ1 LYS 0 -0.454 -19.247 2.858 121 HZ2 LYS 0 HZ2 LYS 0 -1.988 -18.991 3.507 122 HZ3 LYS 0 HZ3 LYS 0 -0.648 -18.899 4.498 123 H GLY 1 HN GLY 1 0.851 -10.751 5.064 124 HA2 GLY 1 HA2 GLY 1 0.207 -10.819 7.709 125 HA3 GLY 1 HA1 GLY 1 0.059 -9.359 6.744 126 H ILE 2 HN ILE 2 -2.047 -9.201 5.518 127 HA ILE 2 HA ILE 2 -4.236 -10.608 6.858 128 HB ILE 2 HB ILE 2 -4.295 -7.690 5.992 129 HG12 ILE 2 HG12 ILE 2 -4.269 -8.801 8.817 130 HG13 ILE 2 HG11 ILE 2 -2.901 -8.028 8.030 131 HG21 ILE 2 HG21 ILE 2 -6.488 -7.632 7.103 132 HG22 ILE 2 HG22 ILE 2 -6.334 -9.346 7.478 133 HG23 ILE 2 HG23 ILE 2 -6.451 -8.823 5.799 134 HD11 ILE 2 HD11 ILE 2 -4.185 -5.939 7.893 135 HD12 ILE 2 HD12 ILE 2 -3.994 -6.505 9.553 136 HD13 ILE 2 HD13 ILE 2 -5.531 -6.733 8.716 137 H HIS 3 HN HIS 3 -5.266 -11.755 5.311 138 HA HIS 3 HA HIS 3 -4.891 -10.797 2.609 139 HB2 HIS 3 HB2 HIS 3 -5.530 -13.036 1.730 140 HB3 HIS 3 HB1 HIS 3 -4.154 -13.129 2.802 141 HD1 HIS 3 HD1 HIS 3 -7.500 -14.551 2.192 142 HD2 HIS 3 HD2 HIS 3 -4.743 -14.459 5.320 143 HE1 HIS 3 HE1 HIS 3 -8.214 -16.312 3.821 144 H SER 4 HN SER 4 -6.214 -9.496 1.993 145 HA SER 4 HA SER 4 -9.004 -9.626 2.828 146 HB2 SER 4 HB2 SER 4 -7.052 -7.509 2.226 147 HB3 SER 4 HB1 SER 4 -8.763 -7.094 2.059 148 HG SER 4 HG SER 4 -7.268 -8.100 4.266 149 H SER 5 HN SER 5 -9.974 -7.816 0.845 150 HA SER 5 HA SER 5 -9.304 -8.830 -1.698 151 HB2 SER 5 HB2 SER 5 -11.634 -9.710 -2.094 152 HB3 SER 5 HB1 SER 5 -10.623 -10.695 -1.030 153 HG SER 5 HG SER 5 -11.642 -9.624 0.730 154 H VAL 6 HN VAL 6 -11.055 -7.977 -3.260 155 HA VAL 6 HA VAL 6 -11.598 -5.187 -2.526 156 HB VAL 6 HB VAL 6 -10.911 -6.364 -5.236 157 HG11 VAL 6 HG11 VAL 6 -12.428 -4.476 -5.414 158 HG12 VAL 6 HG12 VAL 6 -10.830 -4.053 -6.018 159 HG13 VAL 6 HG13 VAL 6 -11.348 -3.487 -4.431 160 HG21 VAL 6 HG21 VAL 6 -8.835 -5.105 -5.064 161 HG22 VAL 6 HG22 VAL 6 -9.002 -6.300 -3.761 162 HG23 VAL 6 HG23 VAL 6 -9.320 -4.587 -3.443 163 H LYS 7 HN LYS 7 -13.732 -4.900 -2.453 164 HA LYS 7 HA LYS 7 -15.282 -6.582 -4.250 165 HB2 LYS 7 HB2 LYS 7 -15.922 -5.792 -1.430 166 HB3 LYS 7 HB1 LYS 7 -17.196 -5.946 -2.649 167 HG2 LYS 7 HG2 LYS 7 -17.125 -8.027 -1.451 168 HG3 LYS 7 HG1 LYS 7 -16.529 -8.220 -3.094 169 HD2 LYS 7 HD2 LYS 7 -14.335 -8.565 -2.386 170 HD3 LYS 7 HD1 LYS 7 -14.682 -7.990 -0.744 171 HE2 LYS 7 HE2 LYS 7 -16.108 -9.858 -0.292 172 HE3 LYS 7 HE1 LYS 7 -16.091 -10.359 -1.974 173 HZ1 LYS 7 HZ1 LYS 7 -14.700 -11.661 -0.346 174 HZ2 LYS 7 HZ2 LYS 7 -13.573 -10.371 -0.396 175 HZ3 LYS 7 HZ3 LYS 7 -14.025 -11.212 -1.797 176 H ARG 8 HN ARG 8 -17.573 -5.422 -4.590 177 HA ARG 8 HA ARG 8 -16.749 -2.794 -5.645 178 HB2 ARG 8 HB2 ARG 8 -17.580 -4.669 -7.178 179 HB3 ARG 8 HB1 ARG 8 -19.170 -4.249 -6.529 180 HG2 ARG 8 HG2 ARG 8 -18.819 -1.928 -7.231 181 HG3 ARG 8 HG1 ARG 8 -17.292 -2.409 -7.971 182 HD2 ARG 8 HD2 ARG 8 -19.955 -3.499 -8.536 183 HD3 ARG 8 HD1 ARG 8 -19.167 -2.296 -9.581 184 HE ARG 8 HE ARG 8 -18.285 -5.096 -9.152 185 HH11 ARG 8 HH11 ARG 8 -18.491 -2.270 -11.325 186 HH12 ARG 8 HH12 ARG 8 -17.749 -3.064 -12.633 187 HH21 ARG 8 HH21 ARG 8 -17.322 -6.173 -10.990 188 HH22 ARG 8 HH22 ARG 8 -17.098 -5.328 -12.450 189 H TRP 9 HN TRP 9 -17.385 -1.132 -4.579 190 HA TRP 9 HA TRP 9 -19.958 -1.158 -3.171 191 HB2 TRP 9 HB2 TRP 9 -17.919 -0.791 -1.824 192 HB3 TRP 9 HB1 TRP 9 -17.478 0.528 -2.827 193 HD1 TRP 9 HD1 TRP 9 -21.108 0.380 -1.693 194 HE1 TRP 9 HE1 TRP 9 -21.485 2.254 0.017 195 HE3 TRP 9 HE3 TRP 9 -16.246 2.062 -0.949 196 HZ2 TRP 9 HZ2 TRP 9 -20.100 4.171 1.327 197 HZ3 TRP 9 HZ3 TRP 9 -15.946 3.922 0.500 198 HH2 TRP 9 HH2 TRP 9 -17.891 4.953 1.652 199 H GLY 10 HN GLY 10 -21.333 -0.508 -4.754 200 HA2 GLY 10 HA2 GLY 10 -22.330 0.934 -6.214 201 HA3 GLY 10 HA1 GLY 10 -21.075 2.114 -5.803 202 H ASN 11 HN ASN 11 -20.206 2.707 -7.710 203 HA ASN 11 HA ASN 11 -19.489 0.590 -9.598 204 HB2 ASN 11 HB2 ASN 11 -18.955 2.319 -11.171 205 HB3 ASN 11 HB1 ASN 11 -20.486 2.746 -10.417 206 HD21 ASN 11 HD21 ASN 11 -18.450 4.408 -11.771 207 HD22 ASN 11 HD22 ASN 11 -18.006 5.630 -10.623 208 H SER 12 HN SER 12 -17.977 1.165 -6.791 209 HA SER 12 HA SER 12 -15.464 1.744 -8.055 210 HB2 SER 12 HB2 SER 12 -16.462 2.674 -5.382 211 HB3 SER 12 HB1 SER 12 -14.869 3.006 -6.095 212 HG SER 12 HG SER 12 -17.139 3.686 -7.572 213 HA PRO 13 HA PRO 13 -14.428 -2.072 -5.957 214 HB2 PRO 13 HB2 PRO 13 -11.661 -1.402 -6.389 215 HB3 PRO 13 HB1 PRO 13 -12.612 -2.642 -7.185 216 HG2 PRO 13 HG2 PRO 13 -11.712 -0.180 -8.284 217 HG3 PRO 13 HG1 PRO 13 -12.728 -1.406 -9.053 218 HD2 PRO 13 HD2 PRO 13 -13.493 1.203 -8.069 219 HD3 PRO 13 HD1 PRO 13 -14.465 -0.002 -8.919 220 H ALA 14 HN ALA 14 -14.242 -2.179 -3.817 221 HA ALA 14 HA ALA 14 -12.886 -0.005 -2.420 222 HB1 ALA 14 HB1 ALA 14 -15.259 0.268 -2.249 223 HB2 ALA 14 HB2 ALA 14 -14.588 -0.214 -0.688 224 HB3 ALA 14 HB3 ALA 14 -15.447 -1.391 -1.684 225 H VAL 15 HN VAL 15 -11.638 -0.570 -0.765 226 HA VAL 15 HA VAL 15 -11.207 -3.430 -0.293 227 HB VAL 15 HB VAL 15 -9.338 -1.090 0.258 228 HG11 VAL 15 HG11 VAL 15 -9.033 -2.882 1.904 229 HG12 VAL 15 HG12 VAL 15 -7.650 -2.790 0.810 230 HG13 VAL 15 HG13 VAL 15 -8.858 -4.059 0.602 231 HG21 VAL 15 HG21 VAL 15 -7.952 -2.046 -1.510 232 HG22 VAL 15 HG22 VAL 15 -9.554 -1.619 -2.118 233 HG23 VAL 15 HG23 VAL 15 -9.159 -3.303 -1.778 234 H ARG 16 HN ARG 16 -11.646 -4.238 1.648 235 HA ARG 16 HA ARG 16 -12.895 -2.521 3.567 236 HB2 ARG 16 HB2 ARG 16 -12.442 -5.476 3.478 237 HB3 ARG 16 HB1 ARG 16 -13.285 -4.672 4.812 238 HG2 ARG 16 HG2 ARG 16 -14.834 -3.821 3.184 239 HG3 ARG 16 HG1 ARG 16 -14.067 -4.792 1.907 240 HD2 ARG 16 HD2 ARG 16 -15.971 -5.901 2.703 241 HD3 ARG 16 HD1 ARG 16 -14.562 -6.778 3.344 242 HE ARG 16 HE ARG 16 -15.925 -4.753 4.957 243 HH11 ARG 16 HH11 ARG 16 -15.236 -8.187 4.455 244 HH12 ARG 16 HH12 ARG 16 -15.560 -8.638 6.057 245 HH21 ARG 16 HH21 ARG 16 -16.371 -5.348 7.157 246 HH22 ARG 16 HH22 ARG 16 -16.239 -6.976 7.645 247 H ILE 17 HN ILE 17 -11.566 -1.411 4.899 248 HA ILE 17 HA ILE 17 -8.966 -2.488 5.631 249 HB ILE 17 HB ILE 17 -10.245 0.166 6.394 250 HG12 ILE 17 HG12 ILE 17 -9.830 0.143 3.993 251 HG13 ILE 17 HG11 ILE 17 -8.697 1.217 4.782 252 HG21 ILE 17 HG21 ILE 17 -8.058 0.886 7.161 253 HG22 ILE 17 HG22 ILE 17 -7.349 -0.632 6.643 254 HG23 ILE 17 HG23 ILE 17 -8.496 -0.618 7.980 255 HD11 ILE 17 HD11 ILE 17 -8.107 -1.563 3.791 256 HD12 ILE 17 HD12 ILE 17 -6.947 -0.448 4.539 257 HD13 ILE 17 HD13 ILE 17 -7.709 -0.040 2.996 258 HA PRO 18 HA PRO 18 -10.781 -4.073 9.399 259 HB2 PRO 18 HB2 PRO 18 -8.358 -4.439 10.707 260 HB3 PRO 18 HB1 PRO 18 -9.125 -5.635 9.659 261 HG2 PRO 18 HG2 PRO 18 -6.891 -3.762 9.077 262 HG3 PRO 18 HG1 PRO 18 -7.184 -5.393 8.455 263 HD2 PRO 18 HD2 PRO 18 -7.620 -3.135 7.021 264 HD3 PRO 18 HD1 PRO 18 -8.539 -4.630 6.769 265 H ALA 19 HN ALA 19 -11.474 -2.985 11.115 266 HA ALA 19 HA ALA 19 -10.898 -0.251 11.477 267 HB1 ALA 19 HB1 ALA 19 -13.053 -1.257 12.085 268 HB2 ALA 19 HB2 ALA 19 -12.350 -0.369 13.434 269 HB3 ALA 19 HB3 ALA 19 -12.271 -2.132 13.400 270 H THR 20 HN THR 20 -9.597 -3.105 12.914 271 HA THR 20 HA THR 20 -8.315 -2.195 15.174 272 HB THR 20 HB THR 20 -7.187 -4.164 13.205 273 HG1 THR 20 HG1 THR 20 -9.491 -4.333 14.867 274 HG21 THR 20 HG21 THR 20 -5.886 -3.712 15.263 275 HG22 THR 20 HG22 THR 20 -6.510 -5.362 15.221 276 HG23 THR 20 HG23 THR 20 -7.296 -4.151 16.233 277 H LEU 21 HN LEU 21 -7.335 -2.083 11.752 278 HA LEU 21 HA LEU 21 -4.701 -1.073 12.291 279 HB2 LEU 21 HB2 LEU 21 -6.257 -1.747 9.852 280 HB3 LEU 21 HB1 LEU 21 -4.870 -0.691 9.699 281 HG LEU 21 HG LEU 21 -4.521 -3.058 9.216 282 HD11 LEU 21 HD11 LEU 21 -2.891 -1.865 11.492 283 HD12 LEU 21 HD12 LEU 21 -2.651 -1.547 9.776 284 HD13 LEU 21 HD13 LEU 21 -2.322 -3.153 10.428 285 HD21 LEU 21 HD21 LEU 21 -4.826 -3.339 12.185 286 HD22 LEU 21 HD22 LEU 21 -4.127 -4.604 11.163 287 HD23 LEU 21 HD23 LEU 21 -5.820 -4.119 10.957 288 H MET 22 HN MET 22 -7.689 0.093 11.238 289 HA MET 22 HA MET 22 -7.097 2.780 10.679 290 HB2 MET 22 HB2 MET 22 -9.504 1.589 12.042 291 HB3 MET 22 HB1 MET 22 -9.434 3.266 11.544 292 HG2 MET 22 HG2 MET 22 -9.097 0.953 9.647 293 HG3 MET 22 HG1 MET 22 -10.646 1.720 10.005 294 HE1 MET 22 HE1 MET 22 -9.901 4.704 10.339 295 HE2 MET 22 HE2 MET 22 -11.295 4.077 9.467 296 HE3 MET 22 HE3 MET 22 -10.249 5.286 8.706 297 H GLN 23 HN GLN 23 -7.914 1.333 13.690 298 HA GLN 23 HA GLN 23 -7.338 3.540 15.360 299 HB2 GLN 23 HB2 GLN 23 -7.215 0.595 15.944 300 HB3 GLN 23 HB1 GLN 23 -7.216 1.878 17.149 301 HG2 GLN 23 HG2 GLN 23 -9.372 2.572 16.471 302 HG3 GLN 23 HG1 GLN 23 -9.406 1.409 15.156 303 HE21 GLN 23 HE21 GLN 23 -11.237 1.661 17.398 304 HE22 GLN 23 HE22 GLN 23 -11.214 0.134 18.199 305 H ALA 24 HN ALA 24 -5.386 0.985 14.039 306 HA ALA 24 HA ALA 24 -3.162 1.344 15.828 307 HB1 ALA 24 HB1 ALA 24 -3.109 -0.035 13.153 308 HB2 ALA 24 HB2 ALA 24 -3.601 -0.793 14.666 309 HB3 ALA 24 HB3 ALA 24 -1.943 -0.222 14.463 310 H LEU 25 HN LEU 25 -3.971 2.626 12.737 311 HA LEU 25 HA LEU 25 -1.406 4.016 12.529 312 HB2 LEU 25 HB2 LEU 25 -3.717 3.769 10.646 313 HB3 LEU 25 HB1 LEU 25 -2.228 4.633 10.300 314 HG LEU 25 HG LEU 25 -2.362 1.690 10.922 315 HD11 LEU 25 HD11 LEU 25 -2.000 1.422 8.505 316 HD12 LEU 25 HD12 LEU 25 -2.285 3.176 8.340 317 HD13 LEU 25 HD13 LEU 25 -3.565 2.124 8.933 318 HD21 LEU 25 HD21 LEU 25 -0.099 1.702 9.950 319 HD22 LEU 25 HD22 LEU 25 -0.207 2.699 11.396 320 HD23 LEU 25 HD23 LEU 25 -0.189 3.459 9.807 321 H ASN 26 HN ASN 26 -4.423 4.409 13.730 322 HA ASN 26 HA ASN 26 -5.703 5.969 14.531 323 HB2 ASN 26 HB2 ASN 26 -3.704 6.518 15.865 324 HB3 ASN 26 HB1 ASN 26 -3.225 7.690 14.645 325 HD21 ASN 26 HD21 ASN 26 -3.288 9.377 16.116 326 HD22 ASN 26 HD22 ASN 26 -4.752 10.038 16.712 327 H LEU 27 HN LEU 27 -6.601 5.858 12.305 328 HA LEU 27 HA LEU 27 -6.991 8.586 11.488 329 HB2 LEU 27 HB2 LEU 27 -7.515 7.748 9.308 330 HB3 LEU 27 HB1 LEU 27 -5.806 7.575 9.693 331 HG LEU 27 HG LEU 27 -7.695 5.250 9.943 332 HD11 LEU 27 HD11 LEU 27 -7.269 4.730 7.634 333 HD12 LEU 27 HD12 LEU 27 -6.311 6.235 7.470 334 HD13 LEU 27 HD13 LEU 27 -8.048 6.311 7.801 335 HD21 LEU 27 HD21 LEU 27 -5.666 4.016 9.366 336 HD22 LEU 27 HD22 LEU 27 -5.414 5.037 10.781 337 HD23 LEU 27 HD23 LEU 27 -4.775 5.534 9.218 338 H ASN 28 HN ASN 28 -9.177 8.624 10.295 339 HA ASN 28 HA ASN 28 -11.093 6.779 11.501 340 HB2 ASN 28 HB2 ASN 28 -11.322 9.808 11.628 341 HB3 ASN 28 HB1 ASN 28 -12.629 8.700 12.011 342 HD21 ASN 28 HD21 ASN 28 -9.691 10.110 13.075 343 HD22 ASN 28 HD22 ASN 28 -9.716 9.502 14.690 344 H ILE 29 HN ILE 29 -13.385 7.664 10.537 345 HA ILE 29 HA ILE 29 -13.154 7.208 7.734 346 HB ILE 29 HB ILE 29 -15.489 8.068 9.397 347 HG12 ILE 29 HG12 ILE 29 -14.657 5.861 10.050 348 HG13 ILE 29 HG11 ILE 29 -16.222 5.696 9.267 349 HG21 ILE 29 HG21 ILE 29 -15.522 6.974 6.583 350 HG22 ILE 29 HG22 ILE 29 -15.806 8.651 7.028 351 HG23 ILE 29 HG23 ILE 29 -16.954 7.414 7.520 352 HD11 ILE 29 HD11 ILE 29 -13.550 5.194 7.959 353 HD12 ILE 29 HD12 ILE 29 -15.139 4.910 7.247 354 HD13 ILE 29 HD13 ILE 29 -14.607 3.963 8.631 355 H ASP 30 HN ASP 30 -13.423 8.520 6.098 356 HA ASP 30 HA ASP 30 -13.050 10.209 4.836 357 HB2 ASP 30 HB2 ASP 30 -15.305 11.023 5.583 358 HB3 ASP 30 HB1 ASP 30 -14.491 11.980 6.823 359 H ASP 31 HN ASP 31 -11.122 9.433 6.155 360 HA ASP 31 HA ASP 31 -9.620 11.904 6.619 361 HB2 ASP 31 HB2 ASP 31 -9.539 9.972 8.290 362 HB3 ASP 31 HB1 ASP 31 -8.614 9.082 7.076 363 H GLU 32 HN GLU 32 -8.166 12.431 5.107 364 HA GLU 32 HA GLU 32 -8.339 11.011 2.642 365 HB2 GLU 32 HB2 GLU 32 -8.587 13.409 2.677 366 HB3 GLU 32 HB1 GLU 32 -7.048 13.595 3.478 367 HG2 GLU 32 HG2 GLU 32 -5.866 13.025 1.562 368 HG3 GLU 32 HG1 GLU 32 -7.304 12.371 0.765 369 H VAL 33 HN VAL 33 -6.769 9.841 1.737 370 HA VAL 33 HA VAL 33 -4.229 9.632 3.142 371 HB VAL 33 HB VAL 33 -4.163 7.248 3.127 372 HG11 VAL 33 HG11 VAL 33 -6.898 8.028 3.849 373 HG12 VAL 33 HG12 VAL 33 -5.457 8.228 4.888 374 HG13 VAL 33 HG13 VAL 33 -6.055 6.592 4.450 375 HG21 VAL 33 HG21 VAL 33 -5.157 6.812 0.970 376 HG22 VAL 33 HG22 VAL 33 -6.772 7.216 1.635 377 HG23 VAL 33 HG23 VAL 33 -5.892 5.816 2.224 378 H LYS 34 HN LYS 34 -2.537 8.761 1.870 379 HA LYS 34 HA LYS 34 -2.877 9.496 -0.953 380 HB2 LYS 34 HB2 LYS 34 -0.464 8.742 0.595 381 HB3 LYS 34 HB1 LYS 34 -0.430 9.048 -1.129 382 HG2 LYS 34 HG2 LYS 34 -1.266 11.401 -0.523 383 HG3 LYS 34 HG1 LYS 34 -0.808 10.977 1.138 384 HD2 LYS 34 HD2 LYS 34 1.015 10.886 -1.278 385 HD3 LYS 34 HD1 LYS 34 1.059 12.096 0.007 386 HE2 LYS 34 HE2 LYS 34 1.814 10.515 1.605 387 HE3 LYS 34 HE1 LYS 34 1.338 9.179 0.523 388 HZ1 LYS 34 HZ1 LYS 34 3.065 9.590 -0.869 389 HZ2 LYS 34 HZ2 LYS 34 3.711 9.502 0.681 390 HZ3 LYS 34 HZ3 LYS 34 3.549 11.027 -0.114 391 H ILE 35 HN ILE 35 -2.848 8.086 -2.557 392 HA ILE 35 HA ILE 35 -2.083 5.312 -1.974 393 HB ILE 35 HB ILE 35 -3.612 6.185 -4.431 394 HG12 ILE 35 HG12 ILE 35 -4.994 6.941 -2.564 395 HG13 ILE 35 HG11 ILE 35 -5.757 5.608 -3.408 396 HG21 ILE 35 HG21 ILE 35 -3.446 3.574 -2.990 397 HG22 ILE 35 HG22 ILE 35 -2.628 4.008 -4.496 398 HG23 ILE 35 HG23 ILE 35 -4.395 3.892 -4.440 399 HD11 ILE 35 HD11 ILE 35 -4.305 5.470 -0.778 400 HD12 ILE 35 HD12 ILE 35 -5.080 4.105 -1.599 401 HD13 ILE 35 HD13 ILE 35 -6.054 5.460 -1.013 402 H ASP 36 HN ASP 36 0.083 5.440 -2.477 403 HA ASP 36 HA ASP 36 0.795 6.713 -5.035 404 HB2 ASP 36 HB2 ASP 36 2.459 6.184 -2.558 405 HB3 ASP 36 HB1 ASP 36 3.253 6.417 -4.105 406 H LEU 37 HN LEU 37 1.680 5.403 -6.722 407 HA LEU 37 HA LEU 37 1.643 2.639 -6.170 408 HB2 LEU 37 HB2 LEU 37 0.512 3.921 -8.143 409 HB3 LEU 37 HB1 LEU 37 2.155 4.091 -8.727 410 HG LEU 37 HG LEU 37 1.015 2.293 -9.869 411 HD11 LEU 37 HD11 LEU 37 2.626 0.505 -9.529 412 HD12 LEU 37 HD12 LEU 37 3.141 1.381 -8.055 413 HD13 LEU 37 HD13 LEU 37 3.334 2.138 -9.623 414 HD21 LEU 37 HD21 LEU 37 0.805 0.927 -7.209 415 HD22 LEU 37 HD22 LEU 37 0.185 0.349 -8.768 416 HD23 LEU 37 HD23 LEU 37 -0.489 1.802 -8.004 417 H VAL 38 HN VAL 38 3.419 1.675 -5.978 418 HA VAL 38 HA VAL 38 6.019 2.701 -6.850 419 HB VAL 38 HB VAL 38 5.597 1.933 -3.941 420 HG11 VAL 38 HG11 VAL 38 7.805 1.421 -4.597 421 HG12 VAL 38 HG12 VAL 38 7.893 2.899 -3.631 422 HG13 VAL 38 HG13 VAL 38 8.003 2.975 -5.385 423 HG21 VAL 38 HG21 VAL 38 6.030 4.726 -5.024 424 HG22 VAL 38 HG22 VAL 38 6.020 4.290 -3.316 425 HG23 VAL 38 HG23 VAL 38 4.552 4.114 -4.280 426 H ASP 39 HN ASP 39 7.234 0.983 -7.522 427 HA ASP 39 HA ASP 39 7.925 -1.137 -8.004 428 HB2 ASP 39 HB2 ASP 39 7.142 -1.556 -5.120 429 HB3 ASP 39 HB1 ASP 39 7.916 -2.811 -6.079 430 H GLY 40 HN GLY 40 5.124 -0.467 -8.510 431 HA2 GLY 40 HA2 GLY 40 3.420 -1.580 -9.596 432 HA3 GLY 40 HA1 GLY 40 4.296 -3.076 -9.326 433 H LYS 41 HN LYS 41 3.681 -1.224 -6.454 434 HA LYS 41 HA LYS 41 1.267 -2.809 -6.013 435 HB2 LYS 41 HB2 LYS 41 1.950 -3.286 -3.750 436 HB3 LYS 41 HB1 LYS 41 3.197 -3.865 -4.850 437 HG2 LYS 41 HG2 LYS 41 4.325 -1.574 -4.266 438 HG3 LYS 41 HG1 LYS 41 3.176 -1.569 -2.954 439 HD2 LYS 41 HD2 LYS 41 5.178 -2.495 -2.091 440 HD3 LYS 41 HD1 LYS 41 4.012 -3.812 -2.246 441 HE2 LYS 41 HE2 LYS 41 5.120 -4.393 -4.445 442 HE3 LYS 41 HE1 LYS 41 6.336 -3.179 -4.067 443 HZ1 LYS 41 HZ1 LYS 41 7.150 -5.289 -3.430 444 HZ2 LYS 41 HZ2 LYS 41 5.732 -5.673 -2.636 445 HZ3 LYS 41 HZ3 LYS 41 6.759 -4.505 -1.972 446 H LEU 42 HN LEU 42 0.057 -1.916 -4.073 447 HA LEU 42 HA LEU 42 -0.069 0.961 -4.453 448 HB2 LEU 42 HB2 LEU 42 -2.036 -0.991 -3.280 449 HB3 LEU 42 HB1 LEU 42 -2.291 0.740 -3.303 450 HG LEU 42 HG LEU 42 -1.788 -0.775 -5.783 451 HD11 LEU 42 HD11 LEU 42 -4.483 -0.305 -4.419 452 HD12 LEU 42 HD12 LEU 42 -3.714 -1.877 -4.652 453 HD13 LEU 42 HD13 LEU 42 -4.298 -0.967 -6.042 454 HD21 LEU 42 HD21 LEU 42 -1.764 1.572 -6.240 455 HD22 LEU 42 HD22 LEU 42 -3.103 1.848 -5.147 456 HD23 LEU 42 HD23 LEU 42 -3.386 1.050 -6.678 457 H ILE 43 HN ILE 43 0.782 2.102 -3.179 458 HA ILE 43 HA ILE 43 1.426 1.185 -0.466 459 HB ILE 43 HB ILE 43 2.473 3.495 -2.054 460 HG12 ILE 43 HG12 ILE 43 3.159 1.462 -3.054 461 HG13 ILE 43 HG11 ILE 43 4.552 2.219 -2.258 462 HG21 ILE 43 HG21 ILE 43 2.624 3.942 0.324 463 HG22 ILE 43 HG22 ILE 43 4.225 3.688 -0.363 464 HG23 ILE 43 HG23 ILE 43 3.458 2.404 0.580 465 HD11 ILE 43 HD11 ILE 43 4.294 0.627 -0.420 466 HD12 ILE 43 HD12 ILE 43 4.562 -0.180 -1.970 467 HD13 ILE 43 HD13 ILE 43 2.951 -0.139 -1.275 468 H ILE 44 HN ILE 44 0.246 1.932 1.042 469 HA ILE 44 HA ILE 44 -1.214 4.426 0.573 470 HB ILE 44 HB ILE 44 -2.240 1.986 2.048 471 HG12 ILE 44 HG12 ILE 44 -3.180 3.363 -0.477 472 HG13 ILE 44 HG11 ILE 44 -2.390 1.794 -0.382 473 HG21 ILE 44 HG21 ILE 44 -2.930 4.012 3.229 474 HG22 ILE 44 HG22 ILE 44 -4.313 3.261 2.430 475 HG23 ILE 44 HG23 ILE 44 -3.555 4.688 1.724 476 HD11 ILE 44 HD11 ILE 44 -5.101 2.502 0.708 477 HD12 ILE 44 HD12 ILE 44 -4.307 0.940 0.874 478 HD13 ILE 44 HD13 ILE 44 -4.760 1.526 -0.727 479 H GLU 45 HN GLU 45 -0.867 5.934 1.907 480 HA GLU 45 HA GLU 45 0.215 5.348 4.563 481 HB2 GLU 45 HB2 GLU 45 1.131 7.634 2.810 482 HB3 GLU 45 HB1 GLU 45 1.741 7.242 4.391 483 HG2 GLU 45 HG2 GLU 45 2.848 5.266 3.536 484 HG3 GLU 45 HG1 GLU 45 2.274 5.526 1.908 485 HA PRO 46 HA PRO 46 -3.040 8.202 5.116 486 HB2 PRO 46 HB2 PRO 46 -2.282 9.027 7.749 487 HB3 PRO 46 HB1 PRO 46 -3.460 7.791 7.301 488 HG2 PRO 46 HG2 PRO 46 -1.131 7.365 8.549 489 HG3 PRO 46 HG1 PRO 46 -1.990 6.101 7.640 490 HD2 PRO 46 HD2 PRO 46 0.323 7.830 6.775 491 HD3 PRO 46 HD1 PRO 46 0.116 6.126 6.386 492 H VAL 47 HN VAL 47 -3.351 10.522 5.834 493 HA VAL 47 HA VAL 47 -0.962 12.005 4.954 494 HB VAL 47 HB VAL 47 -3.790 13.101 4.722 495 HG11 VAL 47 HG11 VAL 47 -2.770 14.777 3.325 496 HG12 VAL 47 HG12 VAL 47 -1.218 13.973 3.533 497 HG13 VAL 47 HG13 VAL 47 -1.989 14.774 4.930 498 HG21 VAL 47 HG21 VAL 47 -3.627 11.352 3.175 499 HG22 VAL 47 HG22 VAL 47 -2.024 11.897 2.623 500 HG23 VAL 47 HG23 VAL 47 -3.466 12.861 2.280 501 H ARG 48 HN ARG 48 -0.016 13.017 6.435 502 HA ARG 48 HA ARG 48 -1.210 13.319 8.992 503 HB2 ARG 48 HB2 ARG 48 1.409 14.321 7.916 504 HB3 ARG 48 HB1 ARG 48 0.923 14.406 9.608 505 HG2 ARG 48 HG2 ARG 48 0.758 11.951 9.645 506 HG3 ARG 48 HG1 ARG 48 1.326 11.914 7.977 507 HD2 ARG 48 HD2 ARG 48 3.376 13.019 8.644 508 HD3 ARG 48 HD1 ARG 48 2.777 13.074 10.305 509 HE ARG 48 HE ARG 48 2.634 10.459 9.708 510 HH11 ARG 48 HH11 ARG 48 5.283 12.787 9.587 511 HH12 ARG 48 HH12 ARG 48 6.522 11.660 9.781 512 HH21 ARG 48 HH21 ARG 48 4.301 8.850 9.969 513 HH22 ARG 48 HH22 ARG 48 5.936 9.297 10.002 514 H LYS 49 HN LYS 49 -2.220 14.973 9.778 515 HA LYS 49 HA LYS 49 -2.691 17.247 8.016 516 HB2 LYS 49 HB2 LYS 49 -3.995 16.668 10.672 517 HB3 LYS 49 HB1 LYS 49 -4.562 17.707 9.385 518 HG2 LYS 49 HG2 LYS 49 -4.519 14.687 9.365 519 HG3 LYS 49 HG1 LYS 49 -5.929 15.717 9.553 520 HD2 LYS 49 HD2 LYS 49 -5.587 16.562 7.243 521 HD3 LYS 49 HD1 LYS 49 -4.202 15.473 7.076 522 HE2 LYS 49 HE2 LYS 49 -7.078 14.694 7.508 523 HE3 LYS 49 HE1 LYS 49 -6.106 14.439 6.059 524 HZ1 LYS 49 HZ1 LYS 49 -4.624 13.006 7.465 525 HZ2 LYS 49 HZ2 LYS 49 -6.159 12.369 7.288 526 HZ3 LYS 49 HZ3 LYS 49 -5.754 13.138 8.706 527 H GLU 50 HN GLU 50 -0.964 18.382 8.206 528 HA GLU 50 HA GLU 50 -0.523 19.812 10.679 529 HB2 GLU 50 HB2 GLU 50 1.696 18.500 9.070 530 HB3 GLU 50 HB1 GLU 50 1.922 19.610 10.408 531 HG2 GLU 50 HG2 GLU 50 0.931 17.974 11.934 532 HG3 GLU 50 HG1 GLU 50 0.685 16.876 10.579 533 H1 ASN -16 HT1 ASN -16 -1.033 35.775 -7.571 534 H2 ASN -16 HT2 ASN -16 -0.285 37.020 -6.681 535 H3 ASN -16 HT3 ASN -16 -1.869 36.568 -6.327 536 HA ASN -16 HA ASN -16 -1.174 34.453 -5.551 537 HB2 ASN -16 HB2 ASN -16 1.632 35.448 -6.198 538 HB3 ASN -16 HB1 ASN -16 1.242 33.962 -5.348 539 HD21 ASN -16 HD21 ASN -16 2.433 32.836 -6.970 540 HD22 ASN -16 HD22 ASN -16 1.728 32.508 -8.502 541 H HIS -15 HN HIS -15 -0.638 34.277 -3.307 542 HA HIS -15 HA HIS -15 0.443 36.633 -2.033 543 HB2 HIS -15 HB2 HIS -15 -1.435 36.973 -0.504 544 HB3 HIS -15 HB1 HIS -15 -1.988 37.160 -2.157 545 HD1 HIS -15 HD1 HIS -15 -2.662 35.284 0.965 546 HD2 HIS -15 HD2 HIS -15 -3.605 34.950 -3.070 547 HE1 HIS -15 HE1 HIS -15 -4.555 33.650 0.819 548 H LYS -14 HN LYS -14 0.364 36.167 0.468 549 HA LYS -14 HA LYS -14 1.481 33.532 0.787 550 HB2 LYS -14 HB2 LYS -14 2.601 35.425 1.875 551 HB3 LYS -14 HB1 LYS -14 1.118 35.812 2.737 552 HG2 LYS -14 HG2 LYS -14 1.256 33.707 3.953 553 HG3 LYS -14 HG1 LYS -14 2.726 33.283 3.082 554 HD2 LYS -14 HD2 LYS -14 3.276 34.135 5.285 555 HD3 LYS -14 HD1 LYS -14 3.838 35.258 4.049 556 HE2 LYS -14 HE2 LYS -14 2.837 36.457 5.926 557 HE3 LYS -14 HE1 LYS -14 1.888 36.690 4.464 558 HZ1 LYS -14 HZ1 LYS -14 0.544 36.273 6.457 559 HZ2 LYS -14 HZ2 LYS -14 1.196 34.754 6.628 560 HZ3 LYS -14 HZ3 LYS -14 0.250 35.139 5.283 561 H VAL -13 HN VAL -13 -0.149 32.091 0.694 562 HA VAL -13 HA VAL -13 -2.600 32.538 2.110 563 HB VAL -13 HB VAL -13 -2.594 31.218 0.015 564 HG11 VAL -13 HG11 VAL -13 -1.719 28.972 -0.134 565 HG12 VAL -13 HG12 VAL -13 -1.160 29.052 1.529 566 HG13 VAL -13 HG13 VAL -13 -0.421 30.086 0.311 567 HG21 VAL -13 HG21 VAL -13 -3.500 29.626 2.415 568 HG22 VAL -13 HG22 VAL -13 -4.024 29.346 0.756 569 HG23 VAL -13 HG23 VAL -13 -4.426 30.861 1.563 570 H HIS -12 HN HIS -12 0.393 30.985 2.633 571 HA HIS -12 HA HIS -12 1.443 30.013 4.280 572 HB2 HIS -12 HB2 HIS -12 0.957 32.123 5.501 573 HB3 HIS -12 HB1 HIS -12 -0.497 31.379 6.163 574 HD1 HIS -12 HD1 HIS -12 -0.139 30.351 8.473 575 HD2 HIS -12 HD2 HIS -12 3.356 30.515 6.224 576 HE1 HIS -12 HE1 HIS -12 1.677 29.442 9.943 577 H HIS -11 HN HIS -11 1.306 27.986 4.089 578 HA HIS -11 HA HIS -11 -0.655 26.616 5.737 579 HB2 HIS -11 HB2 HIS -11 -0.763 24.764 4.089 580 HB3 HIS -11 HB1 HIS -11 -1.337 26.258 3.373 581 HD1 HIS -11 HD1 HIS -11 1.356 23.653 3.035 582 HD2 HIS -11 HD2 HIS -11 0.330 27.324 1.363 583 HE1 HIS -11 HE1 HIS -11 2.673 23.850 0.907 584 H HIS -10 HN HIS -10 0.289 24.442 6.366 585 HA HIS -10 HA HIS -10 3.081 24.974 6.909 586 HB2 HIS -10 HB2 HIS -10 1.445 22.634 7.918 587 HB3 HIS -10 HB1 HIS -10 2.986 23.207 8.536 588 HD1 HIS -10 HD1 HIS -10 -0.333 23.154 9.438 589 HD2 HIS -10 HD2 HIS -10 2.532 26.141 9.395 590 HE1 HIS -10 HE1 HIS -10 -1.171 24.946 11.014 591 H HIS -9 HN HIS -9 4.663 23.476 6.432 592 HA HIS -9 HA HIS -9 5.809 22.041 5.215 593 HB2 HIS -9 HB2 HIS -9 3.198 20.524 5.037 594 HB3 HIS -9 HB1 HIS -9 4.737 19.907 4.444 595 HD1 HIS -9 HD1 HIS -9 2.705 20.168 7.530 596 HD2 HIS -9 HD2 HIS -9 6.694 19.544 6.497 597 HE1 HIS -9 HE1 HIS -9 3.849 19.271 9.585 598 H HIS -8 HN HIS -8 6.170 23.687 3.752 599 HA HIS -8 HA HIS -8 4.618 23.677 1.357 600 HB2 HIS -8 HB2 HIS -8 6.361 25.246 0.434 601 HB3 HIS -8 HB1 HIS -8 5.590 25.825 1.892 602 HD1 HIS -8 HD1 HIS -8 7.119 26.335 3.877 603 HD2 HIS -8 HD2 HIS -8 9.077 24.468 0.730 604 HE1 HIS -8 HE1 HIS -8 9.582 26.520 4.381 605 H HIS -7 HN HIS -7 4.795 22.379 -0.214 606 HA HIS -7 HA HIS -7 7.165 20.715 -0.288 607 HB2 HIS -7 HB2 HIS -7 5.655 18.768 -0.819 608 HB3 HIS -7 HB1 HIS -7 5.529 19.376 0.826 609 HD1 HIS -7 HD1 HIS -7 3.283 20.786 1.375 610 HD2 HIS -7 HD2 HIS -7 3.350 18.784 -2.271 611 HE1 HIS -7 HE1 HIS -7 0.898 20.695 0.579 612 H MET -6 HN MET -6 7.958 20.307 -2.174 613 HA MET -6 HA MET -6 6.684 21.562 -4.496 614 HB2 MET -6 HB2 MET -6 9.526 20.611 -4.076 615 HB3 MET -6 HB1 MET -6 8.929 21.474 -5.488 616 HG2 MET -6 HG2 MET -6 8.455 23.431 -4.124 617 HG3 MET -6 HG1 MET -6 8.972 22.563 -2.683 618 HE1 MET -6 HE1 MET -6 10.662 22.448 -6.263 619 HE2 MET -6 HE2 MET -6 11.803 23.780 -6.119 620 HE3 MET -6 HE3 MET -6 10.072 24.102 -6.108 621 H SER -5 HN SER -5 6.557 18.788 -3.064 622 HA SER -5 HA SER -5 7.292 16.880 -5.103 623 HB2 SER -5 HB2 SER -5 5.770 16.502 -2.542 624 HB3 SER -5 HB1 SER -5 6.655 15.273 -3.444 625 HG SER -5 HG SER -5 8.395 17.139 -3.008 626 H ASP -4 HN ASP -4 5.447 18.539 -6.234 627 HA ASP -4 HA ASP -4 2.714 17.930 -5.832 628 HB2 ASP -4 HB2 ASP -4 3.176 19.966 -6.917 629 HB3 ASP -4 HB1 ASP -4 4.188 19.188 -8.126 630 H ASP -3 HN ASP -3 4.996 16.689 -8.013 631 HA ASP -3 HA ASP -3 3.012 14.709 -8.980 632 HB2 ASP -3 HB2 ASP -3 3.995 16.058 -10.769 633 HB3 ASP -3 HB1 ASP -3 5.608 15.550 -10.276 634 H ASP -2 HN ASP -2 6.131 15.079 -7.484 635 HA ASP -2 HA ASP -2 7.219 12.549 -7.609 636 HB2 ASP -2 HB2 ASP -2 7.266 14.509 -5.316 637 HB3 ASP -2 HB1 ASP -2 8.385 13.192 -5.604 638 H ASP -1 HN ASP -1 5.039 14.054 -5.303 639 HA ASP -1 HA ASP -1 4.531 11.458 -4.036 640 HB2 ASP -1 HB2 ASP -1 5.949 13.235 -2.762 641 HB3 ASP -1 HB1 ASP -1 4.475 14.179 -2.694 642 H LYS 0 HN LYS 0 2.333 12.295 -2.552 643 HA LYS 0 HA LYS 0 0.080 12.630 -2.679 644 HB2 LYS 0 HB2 LYS 0 0.978 14.830 -4.519 645 HB3 LYS 0 HB1 LYS 0 -0.582 14.709 -3.701 646 HG2 LYS 0 HG2 LYS 0 0.419 14.957 -1.587 647 HG3 LYS 0 HG1 LYS 0 2.034 14.813 -2.260 648 HD2 LYS 0 HD2 LYS 0 1.574 17.163 -1.808 649 HD3 LYS 0 HD1 LYS 0 1.714 16.884 -3.542 650 HE2 LYS 0 HE2 LYS 0 -0.775 16.820 -3.662 651 HE3 LYS 0 HE1 LYS 0 -0.822 17.255 -1.953 652 HZ1 LYS 0 HZ1 LYS 0 0.428 19.292 -2.517 653 HZ2 LYS 0 HZ2 LYS 0 -1.037 19.244 -3.327 654 HZ3 LYS 0 HZ3 LYS 0 0.380 18.862 -4.135 655 H GLY 1 HN GLY 1 1.094 10.701 -4.503 656 HA2 GLY 1 HA2 GLY 1 0.525 10.858 -7.190 657 HA3 GLY 1 HA1 GLY 1 0.383 9.378 -6.258 658 H ILE 2 HN ILE 2 -1.725 9.206 -5.002 659 HA ILE 2 HA ILE 2 -3.890 10.612 -6.369 660 HB ILE 2 HB ILE 2 -3.978 7.714 -5.479 661 HG12 ILE 2 HG12 ILE 2 -3.953 8.811 -8.304 662 HG13 ILE 2 HG11 ILE 2 -2.588 8.031 -7.518 663 HG21 ILE 2 HG21 ILE 2 -6.174 7.673 -6.622 664 HG22 ILE 2 HG22 ILE 2 -6.022 9.407 -6.912 665 HG23 ILE 2 HG23 ILE 2 -6.126 8.797 -5.263 666 HD11 ILE 2 HD11 ILE 2 -3.873 5.952 -7.378 667 HD12 ILE 2 HD12 ILE 2 -3.720 6.518 -9.044 668 HD13 ILE 2 HD13 ILE 2 -5.233 6.749 -8.170 669 H HIS 3 HN HIS 3 -4.713 11.894 -4.801 670 HA HIS 3 HA HIS 3 -4.579 10.901 -2.102 671 HB2 HIS 3 HB2 HIS 3 -5.263 13.122 -1.286 672 HB3 HIS 3 HB1 HIS 3 -3.904 13.276 -2.375 673 HD1 HIS 3 HD1 HIS 3 -7.394 14.399 -1.814 674 HD2 HIS 3 HD2 HIS 3 -4.521 14.657 -4.822 675 HE1 HIS 3 HE1 HIS 3 -8.198 16.150 -3.416 676 H SER 4 HN SER 4 -5.999 9.795 -1.294 677 HA SER 4 HA SER 4 -8.722 9.798 -2.365 678 HB2 SER 4 HB2 SER 4 -6.862 7.658 -1.516 679 HB3 SER 4 HB1 SER 4 -8.577 7.315 -1.636 680 HG SER 4 HG SER 4 -6.643 7.988 -3.576 681 H SER 5 HN SER 5 -9.772 8.059 -0.433 682 HA SER 5 HA SER 5 -9.112 9.031 2.119 683 HB2 SER 5 HB2 SER 5 -11.500 9.947 2.428 684 HB3 SER 5 HB1 SER 5 -10.339 10.964 1.570 685 HG SER 5 HG SER 5 -11.250 10.479 -0.304 686 H VAL 6 HN VAL 6 -10.882 8.220 3.661 687 HA VAL 6 HA VAL 6 -11.503 5.448 2.904 688 HB VAL 6 HB VAL 6 -10.809 6.612 5.622 689 HG11 VAL 6 HG11 VAL 6 -12.373 4.762 5.793 690 HG12 VAL 6 HG12 VAL 6 -10.790 4.310 6.414 691 HG13 VAL 6 HG13 VAL 6 -11.306 3.741 4.827 692 HG21 VAL 6 HG21 VAL 6 -8.762 5.291 5.477 693 HG22 VAL 6 HG22 VAL 6 -8.873 6.493 4.178 694 HG23 VAL 6 HG23 VAL 6 -9.234 4.793 3.848 695 H LYS 7 HN LYS 7 -13.640 5.131 2.919 696 HA LYS 7 HA LYS 7 -15.165 6.904 4.650 697 HB2 LYS 7 HB2 LYS 7 -15.759 6.101 1.831 698 HB3 LYS 7 HB1 LYS 7 -17.056 6.287 3.034 699 HG2 LYS 7 HG2 LYS 7 -16.898 8.355 1.799 700 HG3 LYS 7 HG1 LYS 7 -16.362 8.539 3.465 701 HD2 LYS 7 HD2 LYS 7 -14.135 8.824 2.843 702 HD3 LYS 7 HD1 LYS 7 -14.437 8.260 1.189 703 HE2 LYS 7 HE2 LYS 7 -15.798 10.162 0.685 704 HE3 LYS 7 HE1 LYS 7 -15.839 10.654 2.369 705 HZ1 LYS 7 HZ1 LYS 7 -14.353 11.889 0.759 706 HZ2 LYS 7 HZ2 LYS 7 -13.258 10.602 0.909 707 HZ3 LYS 7 HZ3 LYS 7 -13.787 11.499 2.272 708 H ARG 8 HN ARG 8 -17.520 5.779 4.930 709 HA ARG 8 HA ARG 8 -16.748 3.171 6.033 710 HB2 ARG 8 HB2 ARG 8 -17.556 4.997 7.591 711 HB3 ARG 8 HB1 ARG 8 -19.152 4.786 6.871 712 HG2 ARG 8 HG2 ARG 8 -19.097 2.418 7.574 713 HG3 ARG 8 HG1 ARG 8 -17.539 2.716 8.344 714 HD2 ARG 8 HD2 ARG 8 -20.201 3.933 9.058 715 HD3 ARG 8 HD1 ARG 8 -19.254 2.801 10.019 716 HE ARG 8 HE ARG 8 -18.501 5.588 9.445 717 HH11 ARG 8 HH11 ARG 8 -18.310 2.802 11.620 718 HH12 ARG 8 HH12 ARG 8 -17.589 3.657 12.892 719 HH21 ARG 8 HH21 ARG 8 -17.568 6.780 11.187 720 HH22 ARG 8 HH22 ARG 8 -17.130 5.991 12.634 721 H TRP 9 HN TRP 9 -17.463 1.468 5.007 722 HA TRP 9 HA TRP 9 -20.010 1.571 3.555 723 HB2 TRP 9 HB2 TRP 9 -17.956 1.201 2.205 724 HB3 TRP 9 HB1 TRP 9 -17.561 -0.165 3.160 725 HD1 TRP 9 HD1 TRP 9 -21.175 0.160 1.993 726 HE1 TRP 9 HE1 TRP 9 -21.598 -1.661 0.223 727 HE3 TRP 9 HE3 TRP 9 -16.383 -1.697 1.272 728 HZ2 TRP 9 HZ2 TRP 9 -20.288 -3.588 -1.118 729 HZ3 TRP 9 HZ3 TRP 9 -16.128 -3.546 -0.223 730 HH2 TRP 9 HH2 TRP 9 -18.087 -4.464 -1.440 731 H GLY 10 HN GLY 10 -21.405 0.896 5.100 732 HA2 GLY 10 HA2 GLY 10 -22.440 -0.574 6.529 733 HA3 GLY 10 HA1 GLY 10 -21.183 -1.763 6.156 734 H ASN 11 HN ASN 11 -20.324 -2.335 8.094 735 HA ASN 11 HA ASN 11 -19.608 -0.159 9.911 736 HB2 ASN 11 HB2 ASN 11 -19.133 -1.830 11.575 737 HB3 ASN 11 HB1 ASN 11 -20.639 -2.302 10.800 738 HD21 ASN 11 HD21 ASN 11 -18.464 -3.818 12.244 739 HD22 ASN 11 HD22 ASN 11 -18.061 -5.104 11.168 740 H SER 12 HN SER 12 -18.081 -0.849 7.141 741 HA SER 12 HA SER 12 -15.587 -1.420 8.447 742 HB2 SER 12 HB2 SER 12 -16.586 -2.360 5.790 743 HB3 SER 12 HB1 SER 12 -14.998 -2.726 6.489 744 HG SER 12 HG SER 12 -17.333 -3.344 7.941 745 HA PRO 13 HA PRO 13 -14.457 2.369 6.335 746 HB2 PRO 13 HB2 PRO 13 -11.707 1.643 6.776 747 HB3 PRO 13 HB1 PRO 13 -12.634 2.902 7.576 748 HG2 PRO 13 HG2 PRO 13 -11.791 0.408 8.655 749 HG3 PRO 13 HG1 PRO 13 -12.765 1.661 9.435 750 HD2 PRO 13 HD2 PRO 13 -13.614 -0.922 8.462 751 HD3 PRO 13 HD1 PRO 13 -14.556 0.319 9.296 752 H ALA 14 HN ALA 14 -14.284 2.461 4.204 753 HA ALA 14 HA ALA 14 -12.948 0.274 2.805 754 HB1 ALA 14 HB1 ALA 14 -15.332 0.076 2.603 755 HB2 ALA 14 HB2 ALA 14 -14.610 0.518 1.056 756 HB3 ALA 14 HB3 ALA 14 -15.450 1.737 2.017 757 H VAL 15 HN VAL 15 -11.679 0.805 1.166 758 HA VAL 15 HA VAL 15 -11.164 3.656 0.702 759 HB VAL 15 HB VAL 15 -9.320 1.280 0.226 760 HG11 VAL 15 HG11 VAL 15 -8.945 3.047 -1.435 761 HG12 VAL 15 HG12 VAL 15 -7.591 2.938 -0.313 762 HG13 VAL 15 HG13 VAL 15 -8.777 4.232 -0.140 763 HG21 VAL 15 HG21 VAL 15 -7.961 2.243 2.016 764 HG22 VAL 15 HG22 VAL 15 -9.583 1.844 2.591 765 HG23 VAL 15 HG23 VAL 15 -9.158 3.518 2.231 766 H ARG 16 HN ARG 16 -11.566 4.452 -1.240 767 HA ARG 16 HA ARG 16 -12.779 2.791 -3.224 768 HB2 ARG 16 HB2 ARG 16 -12.132 5.714 -3.147 769 HB3 ARG 16 HB1 ARG 16 -12.966 4.944 -4.510 770 HG2 ARG 16 HG2 ARG 16 -14.661 4.233 -2.859 771 HG3 ARG 16 HG1 ARG 16 -13.853 5.248 -1.662 772 HD2 ARG 16 HD2 ARG 16 -15.649 6.400 -2.581 773 HD3 ARG 16 HD1 ARG 16 -14.170 7.163 -3.210 774 HE ARG 16 HE ARG 16 -15.424 5.138 -4.877 775 HH11 ARG 16 HH11 ARG 16 -15.206 8.632 -4.264 776 HH12 ARG 16 HH12 ARG 16 -15.773 9.074 -5.795 777 HH21 ARG 16 HH21 ARG 16 -16.229 5.720 -6.934 778 HH22 ARG 16 HH22 ARG 16 -16.398 7.343 -7.400 779 H ILE 17 HN ILE 17 -11.481 1.640 -4.580 780 HA ILE 17 HA ILE 17 -8.826 2.654 -5.211 781 HB ILE 17 HB ILE 17 -10.113 0.009 -5.973 782 HG12 ILE 17 HG12 ILE 17 -9.763 0.098 -3.571 783 HG13 ILE 17 HG11 ILE 17 -8.646 -1.044 -4.299 784 HG21 ILE 17 HG21 ILE 17 -8.405 0.585 -7.561 785 HG22 ILE 17 HG22 ILE 17 -7.786 -0.713 -6.533 786 HG23 ILE 17 HG23 ILE 17 -7.266 0.950 -6.273 787 HD11 ILE 17 HD11 ILE 17 -8.010 1.738 -3.343 788 HD12 ILE 17 HD12 ILE 17 -6.855 0.602 -4.058 789 HD13 ILE 17 HD13 ILE 17 -7.652 0.219 -2.522 790 HA PRO 18 HA PRO 18 -10.562 4.271 -9.005 791 HB2 PRO 18 HB2 PRO 18 -8.096 4.604 -10.277 792 HB3 PRO 18 HB1 PRO 18 -8.890 5.810 -9.264 793 HG2 PRO 18 HG2 PRO 18 -6.672 3.952 -8.594 794 HG3 PRO 18 HG1 PRO 18 -7.001 5.584 -7.991 795 HD2 PRO 18 HD2 PRO 18 -7.463 3.326 -6.562 796 HD3 PRO 18 HD1 PRO 18 -8.398 4.815 -6.334 797 H ALA 19 HN ALA 19 -11.314 3.115 -10.620 798 HA ALA 19 HA ALA 19 -10.718 0.424 -11.035 799 HB1 ALA 19 HB1 ALA 19 -12.865 1.453 -11.654 800 HB2 ALA 19 HB2 ALA 19 -12.172 0.526 -12.985 801 HB3 ALA 19 HB3 ALA 19 -12.072 2.284 -12.990 802 H THR 20 HN THR 20 -9.397 3.270 -12.551 803 HA THR 20 HA THR 20 -8.101 2.275 -14.748 804 HB THR 20 HB THR 20 -6.990 4.307 -12.819 805 HG1 THR 20 HG1 THR 20 -8.973 4.737 -14.820 806 HG21 THR 20 HG21 THR 20 -5.624 3.764 -14.804 807 HG22 THR 20 HG22 THR 20 -6.247 5.413 -14.858 808 HG23 THR 20 HG23 THR 20 -6.999 4.156 -15.845 809 H LEU 21 HN LEU 21 -7.167 2.178 -11.317 810 HA LEU 21 HA LEU 21 -4.539 1.124 -11.825 811 HB2 LEU 21 HB2 LEU 21 -6.101 1.838 -9.398 812 HB3 LEU 21 HB1 LEU 21 -4.731 0.764 -9.233 813 HG LEU 21 HG LEU 21 -4.356 3.124 -8.757 814 HD11 LEU 21 HD11 LEU 21 -2.734 1.904 -11.023 815 HD12 LEU 21 HD12 LEU 21 -2.492 1.601 -9.305 816 HD13 LEU 21 HD13 LEU 21 -2.150 3.198 -9.974 817 HD21 LEU 21 HD21 LEU 21 -4.646 3.404 -11.723 818 HD22 LEU 21 HD22 LEU 21 -3.939 4.662 -10.698 819 HD23 LEU 21 HD23 LEU 21 -5.638 4.195 -10.500 820 H MET 22 HN MET 22 -7.559 0.026 -10.794 821 HA MET 22 HA MET 22 -7.022 -2.659 -10.183 822 HB2 MET 22 HB2 MET 22 -9.399 -1.475 -11.605 823 HB3 MET 22 HB1 MET 22 -9.351 -3.144 -11.077 824 HG2 MET 22 HG2 MET 22 -9.026 -0.803 -9.220 825 HG3 MET 22 HG1 MET 22 -10.578 -1.557 -9.595 826 HE1 MET 22 HE1 MET 22 -9.898 -4.547 -9.857 827 HE2 MET 22 HE2 MET 22 -11.288 -3.882 -9.008 828 HE3 MET 22 HE3 MET 22 -10.271 -5.098 -8.221 829 H GLN 23 HN GLN 23 -7.796 -1.246 -13.196 830 HA GLN 23 HA GLN 23 -7.285 -3.435 -14.888 831 HB2 GLN 23 HB2 GLN 23 -7.075 -0.481 -15.377 832 HB3 GLN 23 HB1 GLN 23 -7.079 -1.721 -16.629 833 HG2 GLN 23 HG2 GLN 23 -9.232 -2.382 -16.083 834 HG3 GLN 23 HG1 GLN 23 -9.279 -1.390 -14.635 835 HE21 GLN 23 HE21 GLN 23 -11.085 -1.355 -16.908 836 HE22 GLN 23 HE22 GLN 23 -11.029 0.249 -17.553 837 H ALA 24 HN ALA 24 -5.243 -0.946 -13.562 838 HA ALA 24 HA ALA 24 -3.012 -1.396 -15.329 839 HB1 ALA 24 HB1 ALA 24 -2.971 -0.009 -12.653 840 HB2 ALA 24 HB2 ALA 24 -3.382 0.763 -14.182 841 HB3 ALA 24 HB3 ALA 24 -1.756 0.131 -13.920 842 H LEU 25 HN LEU 25 -3.880 -2.618 -12.222 843 HA LEU 25 HA LEU 25 -1.377 -4.110 -12.008 844 HB2 LEU 25 HB2 LEU 25 -3.663 -3.747 -10.116 845 HB3 LEU 25 HB1 LEU 25 -2.199 -4.648 -9.764 846 HG LEU 25 HG LEU 25 -2.228 -1.714 -10.445 847 HD11 LEU 25 HD11 LEU 25 -1.856 -1.407 -8.035 848 HD12 LEU 25 HD12 LEU 25 -2.215 -3.147 -7.832 849 HD13 LEU 25 HD13 LEU 25 -3.449 -2.057 -8.449 850 HD21 LEU 25 HD21 LEU 25 0.030 -1.782 -9.482 851 HD22 LEU 25 HD22 LEU 25 -0.110 -2.835 -10.889 852 HD23 LEU 25 HD23 LEU 25 -0.129 -3.526 -9.269 853 H ASN 26 HN ASN 26 -4.297 -4.411 -13.349 854 HA ASN 26 HA ASN 26 -5.690 -5.929 -14.061 855 HB2 ASN 26 HB2 ASN 26 -3.749 -6.630 -15.398 856 HB3 ASN 26 HB1 ASN 26 -3.289 -7.771 -14.141 857 HD21 ASN 26 HD21 ASN 26 -3.467 -9.514 -15.553 858 HD22 ASN 26 HD22 ASN 26 -4.986 -10.148 -16.074 859 H LEU 27 HN LEU 27 -6.592 -5.712 -11.832 860 HA LEU 27 HA LEU 27 -7.121 -8.405 -11.027 861 HB2 LEU 27 HB2 LEU 27 -7.618 -7.579 -8.846 862 HB3 LEU 27 HB1 LEU 27 -5.904 -7.473 -9.220 863 HG LEU 27 HG LEU 27 -7.679 -5.062 -9.458 864 HD11 LEU 27 HD11 LEU 27 -7.255 -4.592 -7.133 865 HD12 LEU 27 HD12 LEU 27 -6.374 -6.142 -6.980 866 HD13 LEU 27 HD13 LEU 27 -8.110 -6.129 -7.330 867 HD21 LEU 27 HD21 LEU 27 -5.603 -3.933 -8.847 868 HD22 LEU 27 HD22 LEU 27 -5.381 -4.966 -10.265 869 HD23 LEU 27 HD23 LEU 27 -4.791 -5.496 -8.694 870 H ASN 28 HN ASN 28 -9.287 -8.517 -10.016 871 HA ASN 28 HA ASN 28 -11.155 -6.548 -11.102 872 HB2 ASN 28 HB2 ASN 28 -11.416 -9.565 -11.313 873 HB3 ASN 28 HB1 ASN 28 -12.732 -8.445 -11.617 874 HD21 ASN 28 HD21 ASN 28 -9.804 -9.797 -12.814 875 HD22 ASN 28 HD22 ASN 28 -9.906 -9.148 -14.408 876 H ILE 29 HN ILE 29 -13.452 -7.351 -10.158 877 HA ILE 29 HA ILE 29 -13.246 -6.936 -7.363 878 HB ILE 29 HB ILE 29 -15.569 -7.754 -9.074 879 HG12 ILE 29 HG12 ILE 29 -14.748 -5.551 -9.658 880 HG13 ILE 29 HG11 ILE 29 -16.288 -5.370 -8.836 881 HG21 ILE 29 HG21 ILE 29 -15.690 -6.769 -6.221 882 HG22 ILE 29 HG22 ILE 29 -15.978 -8.425 -6.745 883 HG23 ILE 29 HG23 ILE 29 -17.085 -7.145 -7.243 884 HD11 ILE 29 HD11 ILE 29 -14.992 -4.830 -6.757 885 HD12 ILE 29 HD12 ILE 29 -14.827 -3.673 -8.063 886 HD13 ILE 29 HD13 ILE 29 -13.530 -4.816 -7.747 887 H ASP 30 HN ASP 30 -13.504 -8.238 -5.726 888 HA ASP 30 HA ASP 30 -13.178 -9.905 -4.443 889 HB2 ASP 30 HB2 ASP 30 -15.443 -10.671 -5.168 890 HB3 ASP 30 HB1 ASP 30 -14.663 -11.697 -6.378 891 H ASP 31 HN ASP 31 -11.241 -9.197 -5.838 892 HA ASP 31 HA ASP 31 -9.716 -11.656 -6.267 893 HB2 ASP 31 HB2 ASP 31 -9.625 -9.624 -7.846 894 HB3 ASP 31 HB1 ASP 31 -8.717 -8.817 -6.567 895 H GLU 32 HN GLU 32 -8.380 -12.254 -4.698 896 HA GLU 32 HA GLU 32 -8.540 -10.912 -2.180 897 HB2 GLU 32 HB2 GLU 32 -8.814 -13.301 -2.263 898 HB3 GLU 32 HB1 GLU 32 -7.298 -13.505 -3.112 899 HG2 GLU 32 HG2 GLU 32 -6.069 -13.001 -1.189 900 HG3 GLU 32 HG1 GLU 32 -7.501 -12.403 -0.341 901 H VAL 33 HN VAL 33 -6.973 -9.718 -1.278 902 HA VAL 33 HA VAL 33 -4.416 -9.580 -2.655 903 HB VAL 33 HB VAL 33 -4.321 -7.201 -2.758 904 HG11 VAL 33 HG11 VAL 33 -7.104 -7.920 -3.489 905 HG12 VAL 33 HG12 VAL 33 -5.686 -8.147 -4.535 906 HG13 VAL 33 HG13 VAL 33 -6.231 -6.511 -4.084 907 HG21 VAL 33 HG21 VAL 33 -5.264 -6.658 -0.604 908 HG22 VAL 33 HG22 VAL 33 -6.901 -7.040 -1.224 909 HG23 VAL 33 HG23 VAL 33 -5.995 -5.682 -1.879 910 H LYS 34 HN LYS 34 -2.657 -8.773 -1.330 911 HA LYS 34 HA LYS 34 -3.120 -9.439 1.466 912 HB2 LYS 34 HB2 LYS 34 -0.660 -8.755 -0.035 913 HB3 LYS 34 HB1 LYS 34 -0.675 -9.049 1.695 914 HG2 LYS 34 HG2 LYS 34 -1.574 -11.372 1.073 915 HG3 LYS 34 HG1 LYS 34 -1.048 -10.971 -0.574 916 HD2 LYS 34 HD2 LYS 34 0.687 -10.910 1.897 917 HD3 LYS 34 HD1 LYS 34 0.736 -12.134 0.631 918 HE2 LYS 34 HE2 LYS 34 1.580 -10.573 -0.959 919 HE3 LYS 34 HE1 LYS 34 1.158 -9.220 0.116 920 HZ1 LYS 34 HZ1 LYS 34 2.816 -9.758 1.566 921 HZ2 LYS 34 HZ2 LYS 34 3.524 -9.708 0.028 922 HZ3 LYS 34 HZ3 LYS 34 3.233 -11.206 0.789 923 H ILE 35 HN ILE 35 -3.023 -8.054 3.071 924 HA ILE 35 HA ILE 35 -2.231 -5.282 2.510 925 HB ILE 35 HB ILE 35 -3.805 -6.178 4.933 926 HG12 ILE 35 HG12 ILE 35 -5.165 -6.878 3.029 927 HG13 ILE 35 HG11 ILE 35 -5.926 -5.550 3.892 928 HG21 ILE 35 HG21 ILE 35 -3.588 -3.535 3.548 929 HG22 ILE 35 HG22 ILE 35 -2.797 -4.012 5.057 930 HG23 ILE 35 HG23 ILE 35 -4.560 -3.870 4.980 931 HD11 ILE 35 HD11 ILE 35 -4.437 -5.368 1.280 932 HD12 ILE 35 HD12 ILE 35 -5.208 -4.015 2.122 933 HD13 ILE 35 HD13 ILE 35 -6.188 -5.345 1.491 934 H ASP 36 HN ASP 36 -0.050 -5.481 3.022 935 HA ASP 36 HA ASP 36 0.613 -6.736 5.601 936 HB2 ASP 36 HB2 ASP 36 2.276 -6.312 3.116 937 HB3 ASP 36 HB1 ASP 36 3.089 -6.407 4.669 938 H LEU 37 HN LEU 37 1.470 -5.441 7.289 939 HA LEU 37 HA LEU 37 1.492 -2.679 6.716 940 HB2 LEU 37 HB2 LEU 37 0.340 -3.956 8.688 941 HB3 LEU 37 HB1 LEU 37 1.975 -4.107 9.292 942 HG LEU 37 HG LEU 37 0.836 -2.293 10.400 943 HD11 LEU 37 HD11 LEU 37 2.425 -0.503 10.029 944 HD12 LEU 37 HD12 LEU 37 2.913 -1.374 8.541 945 HD13 LEU 37 HD13 LEU 37 3.153 -2.128 10.101 946 HD21 LEU 37 HD21 LEU 37 0.592 -0.972 7.722 947 HD22 LEU 37 HD22 LEU 37 -0.026 -0.383 9.277 948 HD23 LEU 37 HD23 LEU 37 -0.694 -1.845 8.533 949 H VAL 38 HN VAL 38 3.286 -1.744 6.526 950 HA VAL 38 HA VAL 38 5.860 -2.829 7.440 951 HB VAL 38 HB VAL 38 5.567 -1.991 4.534 952 HG11 VAL 38 HG11 VAL 38 7.806 -2.852 4.237 953 HG12 VAL 38 HG12 VAL 38 7.844 -3.383 5.907 954 HG13 VAL 38 HG13 VAL 38 7.777 -1.662 5.539 955 HG21 VAL 38 HG21 VAL 38 5.843 -4.820 5.553 956 HG22 VAL 38 HG22 VAL 38 5.821 -4.327 3.857 957 HG23 VAL 38 HG23 VAL 38 4.381 -4.129 4.853 958 H ASP 39 HN ASP 39 7.106 -1.181 8.142 959 HA ASP 39 HA ASP 39 7.890 0.887 8.634 960 HB2 ASP 39 HB2 ASP 39 7.096 1.460 5.774 961 HB3 ASP 39 HB1 ASP 39 8.095 2.524 6.755 962 H GLY 40 HN GLY 40 5.032 0.346 9.082 963 HA2 GLY 40 HA2 GLY 40 3.399 1.535 10.181 964 HA3 GLY 40 HA1 GLY 40 4.324 2.994 9.878 965 H LYS 41 HN LYS 41 3.636 1.146 7.038 966 HA LYS 41 HA LYS 41 1.262 2.781 6.564 967 HB2 LYS 41 HB2 LYS 41 1.978 3.211 4.298 968 HB3 LYS 41 HB1 LYS 41 3.239 3.762 5.400 969 HG2 LYS 41 HG2 LYS 41 4.305 1.448 4.855 970 HG3 LYS 41 HG1 LYS 41 3.146 1.428 3.551 971 HD2 LYS 41 HD2 LYS 41 5.150 2.297 2.644 972 HD3 LYS 41 HD1 LYS 41 4.019 3.643 2.792 973 HE2 LYS 41 HE2 LYS 41 5.163 4.249 4.953 974 HE3 LYS 41 HE1 LYS 41 6.342 2.990 4.602 975 HZ1 LYS 41 HZ1 LYS 41 7.189 5.075 3.889 976 HZ2 LYS 41 HZ2 LYS 41 5.784 5.442 3.084 977 HZ3 LYS 41 HZ3 LYS 41 6.785 4.226 2.470 978 H LEU 42 HN LEU 42 0.085 1.895 4.577 979 HA LEU 42 HA LEU 42 -0.159 -0.969 5.002 980 HB2 LEU 42 HB2 LEU 42 -2.002 1.065 3.786 981 HB3 LEU 42 HB1 LEU 42 -2.323 -0.664 3.763 982 HG LEU 42 HG LEU 42 -1.803 0.815 6.263 983 HD11 LEU 42 HD11 LEU 42 -4.490 0.295 4.897 984 HD12 LEU 42 HD12 LEU 42 -3.759 1.882 5.134 985 HD13 LEU 42 HD13 LEU 42 -4.321 0.953 6.523 986 HD21 LEU 42 HD21 LEU 42 -3.001 -1.023 7.311 987 HD22 LEU 42 HD22 LEU 42 -1.684 -1.642 6.313 988 HD23 LEU 42 HD23 LEU 42 -3.348 -1.715 5.736 989 H ILE 43 HN ILE 43 0.769 -2.138 3.736 990 HA ILE 43 HA ILE 43 1.436 -1.258 1.019 991 HB ILE 43 HB ILE 43 2.457 -3.601 2.598 992 HG12 ILE 43 HG12 ILE 43 3.146 -1.554 3.610 993 HG13 ILE 43 HG11 ILE 43 4.536 -2.344 2.841 994 HG21 ILE 43 HG21 ILE 43 2.605 -4.011 0.212 995 HG22 ILE 43 HG22 ILE 43 4.215 -3.780 0.892 996 HG23 ILE 43 HG23 ILE 43 3.450 -2.478 -0.023 997 HD11 ILE 43 HD11 ILE 43 4.363 -0.756 0.999 998 HD12 ILE 43 HD12 ILE 43 4.586 0.062 2.553 999 HD13 ILE 43 HD13 ILE 43 3.000 0.031 1.804 1000 H ILE 44 HN ILE 44 0.236 -1.963 -0.478 1001 HA ILE 44 HA ILE 44 -1.296 -4.415 -0.013 1002 HB ILE 44 HB ILE 44 -2.230 -1.944 -1.497 1003 HG12 ILE 44 HG12 ILE 44 -3.220 -3.289 1.026 1004 HG13 ILE 44 HG11 ILE 44 -2.389 -1.741 0.925 1005 HG21 ILE 44 HG21 ILE 44 -2.984 -3.945 -2.683 1006 HG22 ILE 44 HG22 ILE 44 -4.341 -3.150 -1.888 1007 HG23 ILE 44 HG23 ILE 44 -3.639 -4.606 -1.185 1008 HD11 ILE 44 HD11 ILE 44 -5.117 -2.380 -0.168 1009 HD12 ILE 44 HD12 ILE 44 -4.283 -0.840 -0.340 1010 HD13 ILE 44 HD13 ILE 44 -4.758 -1.408 1.265 1011 H GLU 45 HN GLU 45 -0.987 -5.920 -1.342 1012 HA GLU 45 HA GLU 45 0.124 -5.353 -3.986 1013 HB2 GLU 45 HB2 GLU 45 0.960 -7.654 -2.213 1014 HB3 GLU 45 HB1 GLU 45 1.558 -7.312 -3.812 1015 HG2 GLU 45 HG2 GLU 45 2.728 -5.347 -2.990 1016 HG3 GLU 45 HG1 GLU 45 2.182 -5.615 -1.345 1017 HA PRO 46 HA PRO 46 -3.171 -8.142 -4.583 1018 HB2 PRO 46 HB2 PRO 46 -2.358 -9.004 -7.186 1019 HB3 PRO 46 HB1 PRO 46 -3.533 -7.747 -6.791 1020 HG2 PRO 46 HG2 PRO 46 -1.174 -7.380 -7.980 1021 HG3 PRO 46 HG1 PRO 46 -2.019 -6.086 -7.104 1022 HD2 PRO 46 HD2 PRO 46 0.230 -7.860 -6.167 1023 HD3 PRO 46 HD1 PRO 46 0.052 -6.144 -5.808 1024 H VAL 47 HN VAL 47 -3.489 -10.475 -5.289 1025 HA VAL 47 HA VAL 47 -1.137 -11.991 -4.352 1026 HB VAL 47 HB VAL 47 -3.991 -13.049 -4.219 1027 HG11 VAL 47 HG11 VAL 47 -3.054 -14.774 -2.825 1028 HG12 VAL 47 HG12 VAL 47 -1.474 -14.002 -2.967 1029 HG13 VAL 47 HG13 VAL 47 -2.221 -14.751 -4.403 1030 HG21 VAL 47 HG21 VAL 47 -3.849 -11.326 -2.640 1031 HG22 VAL 47 HG22 VAL 47 -2.275 -11.911 -2.039 1032 HG23 VAL 47 HG23 VAL 47 -3.744 -12.852 -1.763 1033 H ARG 48 HN ARG 48 -0.179 -13.089 -5.819 1034 HA ARG 48 HA ARG 48 -1.369 -13.340 -8.410 1035 HB2 ARG 48 HB2 ARG 48 1.223 -14.428 -7.333 1036 HB3 ARG 48 HB1 ARG 48 0.723 -14.492 -9.017 1037 HG2 ARG 48 HG2 ARG 48 0.658 -12.049 -9.080 1038 HG3 ARG 48 HG1 ARG 48 1.223 -12.008 -7.406 1039 HD2 ARG 48 HD2 ARG 48 3.218 -13.223 -8.071 1040 HD3 ARG 48 HD1 ARG 48 2.628 -13.224 -9.740 1041 HE ARG 48 HE ARG 48 2.617 -10.608 -9.017 1042 HH11 ARG 48 HH11 ARG 48 5.136 -13.082 -9.068 1043 HH12 ARG 48 HH12 ARG 48 6.408 -12.046 -9.442 1044 HH21 ARG 48 HH21 ARG 48 4.362 -9.110 -9.492 1045 HH22 ARG 48 HH22 ARG 48 5.964 -9.674 -9.665 1046 H LYS 49 HN LYS 49 -2.416 -15.019 -9.193 1047 HA LYS 49 HA LYS 49 -2.875 -17.245 -7.361 1048 HB2 LYS 49 HB2 LYS 49 -4.257 -16.702 -9.982 1049 HB3 LYS 49 HB1 LYS 49 -4.794 -17.718 -8.666 1050 HG2 LYS 49 HG2 LYS 49 -4.691 -14.715 -8.674 1051 HG3 LYS 49 HG1 LYS 49 -6.143 -15.693 -8.828 1052 HD2 LYS 49 HD2 LYS 49 -5.736 -16.539 -6.520 1053 HD3 LYS 49 HD1 LYS 49 -4.343 -15.455 -6.400 1054 HE2 LYS 49 HE2 LYS 49 -7.221 -14.657 -6.776 1055 HE3 LYS 49 HE1 LYS 49 -6.224 -14.396 -5.345 1056 HZ1 LYS 49 HZ1 LYS 49 -4.760 -12.988 -6.804 1057 HZ2 LYS 49 HZ2 LYS 49 -6.294 -12.336 -6.622 1058 HZ3 LYS 49 HZ3 LYS 49 -5.901 -13.153 -8.014 1059 H GLU 50 HN GLU 50 -1.175 -18.416 -7.581 1060 HA GLU 50 HA GLU 50 -0.728 -19.710 -10.147 1061 HB2 GLU 50 HB2 GLU 50 1.492 -18.644 -8.377 1062 HB3 GLU 50 HB1 GLU 50 1.677 -19.529 -9.878 1063 HG2 GLU 50 HG2 GLU 50 0.778 -17.640 -11.120 1064 HG3 GLU 50 HG1 GLU 50 0.526 -16.746 -9.624 Start of MODEL 10 1 H1 ASN -16 HT1 ASN -16 -4.072 -10.745 20.998 2 H2 ASN -16 HT2 ASN -16 -3.613 -10.779 19.371 3 H3 ASN -16 HT3 ASN -16 -4.672 -9.574 19.959 4 HA ASN -16 HA ASN -16 -1.901 -9.917 20.832 5 HB2 ASN -16 HB2 ASN -16 -2.094 -9.037 18.507 6 HB3 ASN -16 HB1 ASN -16 -3.130 -7.748 19.118 7 HD21 ASN -16 HD21 ASN -16 0.058 -8.891 18.772 8 HD22 ASN -16 HD22 ASN -16 0.879 -7.545 19.490 9 H HIS -15 HN HIS -15 -1.727 -9.198 22.802 10 HA HIS -15 HA HIS -15 -3.691 -7.293 23.855 11 HB2 HIS -15 HB2 HIS -15 -3.499 -9.357 25.134 12 HB3 HIS -15 HB1 HIS -15 -1.758 -9.160 25.258 13 HD1 HIS -15 HD1 HIS -15 -1.059 -8.301 27.519 14 HD2 HIS -15 HD2 HIS -15 -4.870 -7.011 26.454 15 HE1 HIS -15 HE1 HIS -15 -1.916 -6.982 29.472 16 H LYS -14 HN LYS -14 -0.229 -7.866 23.422 17 HA LYS -14 HA LYS -14 0.232 -5.330 24.692 18 HB2 LYS -14 HB2 LYS -14 2.646 -5.957 24.721 19 HB3 LYS -14 HB1 LYS -14 1.592 -7.005 25.651 20 HG2 LYS -14 HG2 LYS -14 1.652 -8.656 23.873 21 HG3 LYS -14 HG1 LYS -14 2.703 -7.602 22.920 22 HD2 LYS -14 HD2 LYS -14 4.368 -7.706 24.735 23 HD3 LYS -14 HD1 LYS -14 3.311 -8.824 25.607 24 HE2 LYS -14 HE2 LYS -14 4.999 -10.073 24.413 25 HE3 LYS -14 HE1 LYS -14 3.407 -10.350 23.718 26 HZ1 LYS -14 HZ1 LYS -14 5.163 -9.980 22.033 27 HZ2 LYS -14 HZ2 LYS -14 5.361 -8.417 22.601 28 HZ3 LYS -14 HZ3 LYS -14 3.907 -8.873 21.913 29 H VAL -13 HN VAL -13 -0.501 -4.012 23.157 30 HA VAL -13 HA VAL -13 1.094 -3.726 20.729 31 HB VAL -13 HB VAL -13 -0.350 -1.774 20.210 32 HG11 VAL -13 HG11 VAL -13 -2.495 -2.914 19.971 33 HG12 VAL -13 HG12 VAL -13 -1.933 -4.173 21.072 34 HG13 VAL -13 HG13 VAL -13 -1.138 -3.943 19.515 35 HG21 VAL -13 HG21 VAL -13 -2.256 -1.199 21.649 36 HG22 VAL -13 HG22 VAL -13 -0.714 -0.934 22.468 37 HG23 VAL -13 HG23 VAL -13 -1.685 -2.356 22.849 38 H HIS -12 HN HIS -12 1.253 -2.998 23.872 39 HA HIS -12 HA HIS -12 2.451 -0.411 23.703 40 HB2 HIS -12 HB2 HIS -12 2.727 -0.700 26.244 41 HB3 HIS -12 HB1 HIS -12 1.097 -0.575 25.607 42 HD1 HIS -12 HD1 HIS -12 -0.505 -2.416 26.314 43 HD2 HIS -12 HD2 HIS -12 3.475 -3.444 26.951 44 HE1 HIS -12 HE1 HIS -12 -0.538 -4.599 27.545 45 H HIS -11 HN HIS -11 4.009 -1.500 22.223 46 HA HIS -11 HA HIS -11 6.358 -2.339 23.737 47 HB2 HIS -11 HB2 HIS -11 5.591 -2.666 20.852 48 HB3 HIS -11 HB1 HIS -11 7.292 -2.650 21.289 49 HD1 HIS -11 HD1 HIS -11 8.175 -4.969 21.539 50 HD2 HIS -11 HD2 HIS -11 4.184 -4.711 22.679 51 HE1 HIS -11 HE1 HIS -11 7.505 -7.277 22.221 52 H HIS -10 HN HIS -10 8.219 -1.212 23.628 53 HA HIS -10 HA HIS -10 7.862 1.609 23.024 54 HB2 HIS -10 HB2 HIS -10 10.143 0.164 24.398 55 HB3 HIS -10 HB1 HIS -10 9.948 1.910 24.283 56 HD1 HIS -10 HD1 HIS -10 9.057 -0.951 26.384 57 HD2 HIS -10 HD2 HIS -10 7.599 2.873 25.697 58 HE1 HIS -10 HE1 HIS -10 7.509 -0.437 28.302 59 H HIS -9 HN HIS -9 9.420 -1.178 21.901 60 HA HIS -9 HA HIS -9 10.870 0.344 19.885 61 HB2 HIS -9 HB2 HIS -9 12.220 -1.284 21.192 62 HB3 HIS -9 HB1 HIS -9 11.103 -2.558 20.736 63 HD1 HIS -9 HD1 HIS -9 13.470 -0.122 18.947 64 HD2 HIS -9 HD2 HIS -9 11.936 -3.965 18.643 65 HE1 HIS -9 HE1 HIS -9 14.616 -1.174 16.983 66 H HIS -8 HN HIS -8 9.491 0.750 18.303 67 HA HIS -8 HA HIS -8 7.409 -1.140 17.694 68 HB2 HIS -8 HB2 HIS -8 6.956 1.324 17.695 69 HB3 HIS -8 HB1 HIS -8 8.033 1.490 16.316 70 HD1 HIS -8 HD1 HIS -8 6.865 1.368 14.045 71 HD2 HIS -8 HD2 HIS -8 4.672 -0.427 17.081 72 HE1 HIS -8 HE1 HIS -8 4.641 0.774 13.050 73 H HIS -7 HN HIS -7 8.677 -2.859 17.019 74 HA HIS -7 HA HIS -7 9.501 -2.604 14.208 75 HB2 HIS -7 HB2 HIS -7 11.416 -2.936 15.858 76 HB3 HIS -7 HB1 HIS -7 10.693 -4.472 16.291 77 HD1 HIS -7 HD1 HIS -7 12.567 -2.772 13.458 78 HD2 HIS -7 HD2 HIS -7 11.236 -6.561 14.568 79 HE1 HIS -7 HE1 HIS -7 13.664 -4.390 11.889 80 H MET -6 HN MET -6 7.277 -3.588 16.264 81 HA MET -6 HA MET -6 6.836 -6.266 15.413 82 HB2 MET -6 HB2 MET -6 4.828 -6.198 16.845 83 HB3 MET -6 HB1 MET -6 6.271 -5.712 17.706 84 HG2 MET -6 HG2 MET -6 5.587 -3.344 17.448 85 HG3 MET -6 HG1 MET -6 4.127 -3.882 16.632 86 HE1 MET -6 HE1 MET -6 3.462 -6.543 18.448 87 HE2 MET -6 HE2 MET -6 2.238 -5.410 17.873 88 HE3 MET -6 HE3 MET -6 2.316 -5.832 19.583 89 H SER -5 HN SER -5 6.366 -6.456 13.366 90 HA SER -5 HA SER -5 3.716 -5.564 12.677 91 HB2 SER -5 HB2 SER -5 6.062 -5.260 10.696 92 HB3 SER -5 HB1 SER -5 4.358 -4.987 10.358 93 HG SER -5 HG SER -5 5.044 -3.666 12.541 94 H ASP -4 HN ASP -4 6.390 -7.653 11.679 95 HA ASP -4 HA ASP -4 4.555 -9.586 10.547 96 HB2 ASP -4 HB2 ASP -4 6.692 -9.211 9.426 97 HB3 ASP -4 HB1 ASP -4 7.570 -9.604 10.893 98 H ASP -3 HN ASP -3 5.954 -8.893 13.475 99 HA ASP -3 HA ASP -3 6.151 -11.354 14.780 100 HB2 ASP -3 HB2 ASP -3 7.009 -9.322 15.813 101 HB3 ASP -3 HB1 ASP -3 5.380 -8.666 15.935 102 H ASP -2 HN ASP -2 3.381 -9.178 14.512 103 HA ASP -2 HA ASP -2 1.765 -11.200 15.880 104 HB2 ASP -2 HB2 ASP -2 1.683 -8.909 16.793 105 HB3 ASP -2 HB1 ASP -2 1.016 -8.341 15.263 106 H ASP -1 HN ASP -1 1.842 -9.300 12.875 107 HA ASP -1 HA ASP -1 -0.174 -11.162 11.885 108 HB2 ASP -1 HB2 ASP -1 -1.155 -8.935 12.024 109 HB3 ASP -1 HB1 ASP -1 0.191 -8.267 11.097 110 H LYS 0 HN LYS 0 0.182 -12.079 9.942 111 HA LYS 0 HA LYS 0 2.764 -11.470 8.702 112 HB2 LYS 0 HB2 LYS 0 1.521 -14.178 9.199 113 HB3 LYS 0 HB1 LYS 0 2.956 -13.909 8.213 114 HG2 LYS 0 HG2 LYS 0 4.114 -12.975 10.142 115 HG3 LYS 0 HG1 LYS 0 2.688 -13.244 11.137 116 HD2 LYS 0 HD2 LYS 0 2.875 -15.647 10.771 117 HD3 LYS 0 HD1 LYS 0 4.288 -15.390 9.746 118 HE2 LYS 0 HE2 LYS 0 4.070 -14.665 12.677 119 HE3 LYS 0 HE1 LYS 0 4.932 -16.054 12.027 120 HZ1 LYS 0 HZ1 LYS 0 6.396 -14.198 12.550 121 HZ2 LYS 0 HZ2 LYS 0 5.636 -13.205 11.434 122 HZ3 LYS 0 HZ3 LYS 0 6.461 -14.596 10.932 123 H GLY 1 HN GLY 1 0.187 -10.408 8.043 124 HA2 GLY 1 HA2 GLY 1 -0.129 -9.770 5.770 125 HA3 GLY 1 HA1 GLY 1 0.037 -11.467 5.319 126 H ILE 2 HN ILE 2 -2.027 -9.001 6.377 127 HA ILE 2 HA ILE 2 -4.251 -10.671 7.054 128 HB ILE 2 HB ILE 2 -4.157 -7.739 6.261 129 HG12 ILE 2 HG12 ILE 2 -4.388 -8.993 9.006 130 HG13 ILE 2 HG11 ILE 2 -2.941 -8.249 8.347 131 HG21 ILE 2 HG21 ILE 2 -6.412 -7.554 7.230 132 HG22 ILE 2 HG22 ILE 2 -6.440 -9.304 7.460 133 HG23 ILE 2 HG23 ILE 2 -6.363 -8.633 5.832 134 HD11 ILE 2 HD11 ILE 2 -4.075 -6.766 9.900 135 HD12 ILE 2 HD12 ILE 2 -5.542 -6.848 8.924 136 HD13 ILE 2 HD13 ILE 2 -4.091 -6.091 8.270 137 H HIS 3 HN HIS 3 -5.618 -11.613 5.651 138 HA HIS 3 HA HIS 3 -5.303 -10.819 2.870 139 HB2 HIS 3 HB2 HIS 3 -5.992 -13.060 2.134 140 HB3 HIS 3 HB1 HIS 3 -4.628 -13.184 3.226 141 HD1 HIS 3 HD1 HIS 3 -8.058 -14.411 2.660 142 HD2 HIS 3 HD2 HIS 3 -5.313 -14.348 5.803 143 HE1 HIS 3 HE1 HIS 3 -8.914 -16.023 4.400 144 H SER 4 HN SER 4 -6.835 -9.917 1.910 145 HA SER 4 HA SER 4 -9.600 -10.263 2.769 146 HB2 SER 4 HB2 SER 4 -8.115 -7.685 2.424 147 HB3 SER 4 HB1 SER 4 -9.854 -7.720 2.374 148 HG SER 4 HG SER 4 -8.736 -9.050 4.498 149 H SER 5 HN SER 5 -10.665 -8.450 0.874 150 HA SER 5 HA SER 5 -9.480 -9.162 -1.639 151 HB2 SER 5 HB2 SER 5 -11.606 -10.171 -2.497 152 HB3 SER 5 HB1 SER 5 -10.820 -11.149 -1.260 153 HG SER 5 HG SER 5 -12.276 -10.339 0.235 154 H VAL 6 HN VAL 6 -10.241 -7.926 -3.321 155 HA VAL 6 HA VAL 6 -11.340 -5.367 -2.593 156 HB VAL 6 HB VAL 6 -10.845 -6.533 -5.353 157 HG11 VAL 6 HG11 VAL 6 -12.372 -4.629 -5.387 158 HG12 VAL 6 HG12 VAL 6 -10.820 -4.208 -6.108 159 HG13 VAL 6 HG13 VAL 6 -11.207 -3.668 -4.473 160 HG21 VAL 6 HG21 VAL 6 -8.758 -5.239 -5.286 161 HG22 VAL 6 HG22 VAL 6 -8.850 -6.500 -4.040 162 HG23 VAL 6 HG23 VAL 6 -9.153 -4.810 -3.611 163 H LYS 7 HN LYS 7 -13.488 -5.025 -2.360 164 HA LYS 7 HA LYS 7 -15.233 -6.896 -3.770 165 HB2 LYS 7 HB2 LYS 7 -15.642 -5.335 -1.227 166 HB3 LYS 7 HB1 LYS 7 -16.887 -6.313 -2.061 167 HG2 LYS 7 HG2 LYS 7 -14.328 -7.408 -0.952 168 HG3 LYS 7 HG1 LYS 7 -15.837 -7.334 -0.045 169 HD2 LYS 7 HD2 LYS 7 -16.893 -8.579 -1.965 170 HD3 LYS 7 HD1 LYS 7 -15.264 -8.861 -2.567 171 HE2 LYS 7 HE2 LYS 7 -14.646 -10.021 -0.556 172 HE3 LYS 7 HE1 LYS 7 -16.192 -9.628 0.196 173 HZ1 LYS 7 HZ1 LYS 7 -17.280 -10.969 -1.524 174 HZ2 LYS 7 HZ2 LYS 7 -16.215 -11.869 -0.608 175 HZ3 LYS 7 HZ3 LYS 7 -15.783 -11.409 -2.157 176 H ARG 8 HN ARG 8 -17.442 -5.767 -4.209 177 HA ARG 8 HA ARG 8 -16.784 -3.250 -5.578 178 HB2 ARG 8 HB2 ARG 8 -17.770 -5.298 -6.769 179 HB3 ARG 8 HB1 ARG 8 -19.269 -4.830 -5.962 180 HG2 ARG 8 HG2 ARG 8 -19.048 -2.590 -6.968 181 HG3 ARG 8 HG1 ARG 8 -17.662 -3.186 -7.880 182 HD2 ARG 8 HD2 ARG 8 -20.373 -4.293 -7.848 183 HD3 ARG 8 HD1 ARG 8 -19.774 -3.271 -9.173 184 HE ARG 8 HE ARG 8 -18.833 -6.005 -8.482 185 HH11 ARG 8 HH11 ARG 8 -19.383 -3.507 -10.940 186 HH12 ARG 8 HH12 ARG 8 -18.903 -4.490 -12.233 187 HH21 ARG 8 HH21 ARG 8 -18.196 -7.349 -10.268 188 HH22 ARG 8 HH22 ARG 8 -18.196 -6.709 -11.859 189 H TRP 9 HN TRP 9 -17.470 -1.467 -4.685 190 HA TRP 9 HA TRP 9 -19.841 -1.443 -2.921 191 HB2 TRP 9 HB2 TRP 9 -17.617 -0.773 -1.903 192 HB3 TRP 9 HB1 TRP 9 -17.526 0.488 -3.089 193 HD1 TRP 9 HD1 TRP 9 -20.991 0.284 -1.682 194 HE1 TRP 9 HE1 TRP 9 -21.336 2.099 0.042 195 HE3 TRP 9 HE3 TRP 9 -16.073 2.026 -1.027 196 HZ2 TRP 9 HZ2 TRP 9 -19.935 3.993 1.381 197 HZ3 TRP 9 HZ3 TRP 9 -15.785 3.804 0.450 198 HH2 TRP 9 HH2 TRP 9 -17.723 4.793 1.695 199 H GLY 10 HN GLY 10 -21.408 -1.097 -4.471 200 HA2 GLY 10 HA2 GLY 10 -22.684 0.148 -5.874 201 HA3 GLY 10 HA1 GLY 10 -21.523 1.473 -5.706 202 H ASN 11 HN ASN 11 -20.768 1.965 -7.615 203 HA ASN 11 HA ASN 11 -20.102 -0.193 -9.464 204 HB2 ASN 11 HB2 ASN 11 -20.408 2.768 -9.822 205 HB3 ASN 11 HB1 ASN 11 -19.597 1.789 -11.035 206 HD21 ASN 11 HD21 ASN 11 -22.049 3.335 -11.150 207 HD22 ASN 11 HD22 ASN 11 -23.274 2.235 -11.661 208 H SER 12 HN SER 12 -18.353 0.530 -6.962 209 HA SER 12 HA SER 12 -15.987 1.144 -8.464 210 HB2 SER 12 HB2 SER 12 -16.821 2.405 -5.857 211 HB3 SER 12 HB1 SER 12 -15.315 2.703 -6.762 212 HG SER 12 HG SER 12 -16.677 3.397 -8.484 213 HA PRO 13 HA PRO 13 -14.567 -2.271 -5.932 214 HB2 PRO 13 HB2 PRO 13 -11.886 -1.837 -6.369 215 HB3 PRO 13 HB1 PRO 13 -12.935 -2.707 -7.485 216 HG2 PRO 13 HG2 PRO 13 -11.944 0.093 -7.615 217 HG3 PRO 13 HG1 PRO 13 -12.265 -1.054 -8.923 218 HD2 PRO 13 HD2 PRO 13 -13.950 1.009 -8.247 219 HD3 PRO 13 HD1 PRO 13 -14.497 -0.480 -9.026 220 H ALA 14 HN ALA 14 -14.231 -2.315 -3.793 221 HA ALA 14 HA ALA 14 -12.844 -0.083 -2.527 222 HB1 ALA 14 HB1 ALA 14 -15.427 -1.308 -1.605 223 HB2 ALA 14 HB2 ALA 14 -15.233 0.283 -2.342 224 HB3 ALA 14 HB3 ALA 14 -14.507 -0.054 -0.771 225 H VAL 15 HN VAL 15 -11.582 -0.639 -0.862 226 HA VAL 15 HA VAL 15 -11.430 -3.486 -0.163 227 HB VAL 15 HB VAL 15 -9.245 -1.371 -0.027 228 HG11 VAL 15 HG11 VAL 15 -9.103 -4.318 0.638 229 HG12 VAL 15 HG12 VAL 15 -9.010 -2.992 1.795 230 HG13 VAL 15 HG13 VAL 15 -7.735 -3.206 0.594 231 HG21 VAL 15 HG21 VAL 15 -8.152 -2.698 -1.767 232 HG22 VAL 15 HG22 VAL 15 -9.732 -2.113 -2.300 233 HG23 VAL 15 HG23 VAL 15 -9.536 -3.791 -1.793 234 H ARG 16 HN ARG 16 -11.887 -4.011 1.900 235 HA ARG 16 HA ARG 16 -12.728 -2.022 3.759 236 HB2 ARG 16 HB2 ARG 16 -12.349 -4.975 3.932 237 HB3 ARG 16 HB1 ARG 16 -12.856 -4.014 5.316 238 HG2 ARG 16 HG2 ARG 16 -14.849 -3.354 4.020 239 HG3 ARG 16 HG1 ARG 16 -14.318 -4.428 2.719 240 HD2 ARG 16 HD2 ARG 16 -14.349 -6.310 4.161 241 HD3 ARG 16 HD1 ARG 16 -14.698 -5.309 5.557 242 HE ARG 16 HE ARG 16 -16.733 -5.094 3.568 243 HH11 ARG 16 HH11 ARG 16 -15.539 -7.124 6.198 244 HH12 ARG 16 HH12 ARG 16 -17.043 -7.850 6.527 245 HH21 ARG 16 HH21 ARG 16 -18.800 -6.052 4.031 246 HH22 ARG 16 HH22 ARG 16 -18.938 -7.230 5.260 247 H ILE 17 HN ILE 17 -11.596 -1.121 5.349 248 HA ILE 17 HA ILE 17 -8.845 -2.003 5.814 249 HB ILE 17 HB ILE 17 -10.295 0.517 6.706 250 HG12 ILE 17 HG12 ILE 17 -9.858 0.563 4.325 251 HG13 ILE 17 HG11 ILE 17 -8.826 1.726 5.136 252 HG21 ILE 17 HG21 ILE 17 -8.051 1.367 7.383 253 HG22 ILE 17 HG22 ILE 17 -7.414 -0.262 7.146 254 HG23 ILE 17 HG23 ILE 17 -8.650 0.034 8.361 255 HD11 ILE 17 HD11 ILE 17 -8.005 -0.984 4.099 256 HD12 ILE 17 HD12 ILE 17 -6.944 0.170 4.918 257 HD13 ILE 17 HD13 ILE 17 -7.669 0.581 3.360 258 HA PRO 18 HA PRO 18 -10.337 -4.013 9.556 259 HB2 PRO 18 HB2 PRO 18 -7.853 -4.051 10.831 260 HB3 PRO 18 HB1 PRO 18 -8.462 -5.317 9.774 261 HG2 PRO 18 HG2 PRO 18 -6.528 -3.139 9.196 262 HG3 PRO 18 HG1 PRO 18 -6.617 -4.774 8.525 263 HD2 PRO 18 HD2 PRO 18 -7.379 -2.557 7.166 264 HD3 PRO 18 HD1 PRO 18 -8.112 -4.149 6.897 265 H ALA 19 HN ALA 19 -11.242 -3.093 11.279 266 HA ALA 19 HA ALA 19 -10.996 -0.392 11.932 267 HB1 ALA 19 HB1 ALA 19 -12.982 -1.735 12.451 268 HB2 ALA 19 HB2 ALA 19 -12.371 -0.902 13.882 269 HB3 ALA 19 HB3 ALA 19 -12.062 -2.624 13.664 270 H THR 20 HN THR 20 -9.326 -3.197 13.142 271 HA THR 20 HA THR 20 -8.123 -2.273 15.430 272 HB THR 20 HB THR 20 -6.737 -3.950 13.341 273 HG1 THR 20 HG1 THR 20 -7.963 -5.679 14.129 274 HG21 THR 20 HG21 THR 20 -5.549 -3.395 15.459 275 HG22 THR 20 HG22 THR 20 -5.863 -5.117 15.263 276 HG23 THR 20 HG23 THR 20 -6.867 -4.162 16.353 277 H LEU 21 HN LEU 21 -7.187 -1.853 12.028 278 HA LEU 21 HA LEU 21 -4.707 -0.546 12.629 279 HB2 LEU 21 HB2 LEU 21 -6.173 -1.253 10.158 280 HB3 LEU 21 HB1 LEU 21 -4.934 -0.021 10.071 281 HG LEU 21 HG LEU 21 -4.278 -2.291 9.455 282 HD11 LEU 21 HD11 LEU 21 -2.827 -1.007 11.805 283 HD12 LEU 21 HD12 LEU 21 -2.605 -0.594 10.106 284 HD13 LEU 21 HD13 LEU 21 -2.084 -2.170 10.707 285 HD21 LEU 21 HD21 LEU 21 -4.549 -2.756 12.395 286 HD22 LEU 21 HD22 LEU 21 -3.680 -3.871 11.324 287 HD23 LEU 21 HD23 LEU 21 -5.424 -3.609 11.123 288 H MET 22 HN MET 22 -7.814 0.322 11.658 289 HA MET 22 HA MET 22 -7.596 3.075 11.217 290 HB2 MET 22 HB2 MET 22 -9.738 1.634 12.781 291 HB3 MET 22 HB1 MET 22 -9.875 3.301 12.269 292 HG2 MET 22 HG2 MET 22 -9.551 0.981 10.383 293 HG3 MET 22 HG1 MET 22 -11.102 1.637 10.911 294 HE1 MET 22 HE1 MET 22 -10.515 4.729 11.065 295 HE2 MET 22 HE2 MET 22 -11.970 4.005 10.390 296 HE3 MET 22 HE3 MET 22 -11.080 5.227 9.467 297 H GLN 23 HN GLN 23 -8.141 1.501 14.249 298 HA GLN 23 HA GLN 23 -7.704 3.784 15.848 299 HB2 GLN 23 HB2 GLN 23 -7.507 0.870 16.543 300 HB3 GLN 23 HB1 GLN 23 -7.536 2.197 17.697 301 HG2 GLN 23 HG2 GLN 23 -9.715 2.836 16.856 302 HG3 GLN 23 HG1 GLN 23 -9.710 1.460 15.764 303 HE21 GLN 23 HE21 GLN 23 -11.533 0.543 16.716 304 HE22 GLN 23 HE22 GLN 23 -11.455 -0.263 18.239 305 H ALA 24 HN ALA 24 -5.631 1.363 14.521 306 HA ALA 24 HA ALA 24 -3.467 1.797 16.382 307 HB1 ALA 24 HB1 ALA 24 -3.281 0.511 13.656 308 HB2 ALA 24 HB2 ALA 24 -3.718 -0.341 15.136 309 HB3 ALA 24 HB3 ALA 24 -2.109 0.367 14.965 310 H LEU 25 HN LEU 25 -4.301 3.004 13.269 311 HA LEU 25 HA LEU 25 -1.874 4.562 13.052 312 HB2 LEU 25 HB2 LEU 25 -4.246 4.203 11.278 313 HB3 LEU 25 HB1 LEU 25 -2.830 5.166 10.866 314 HG LEU 25 HG LEU 25 -2.740 2.219 11.502 315 HD11 LEU 25 HD11 LEU 25 -4.005 2.498 9.533 316 HD12 LEU 25 HD12 LEU 25 -2.376 1.964 9.068 317 HD13 LEU 25 HD13 LEU 25 -2.854 3.664 8.902 318 HD21 LEU 25 HD21 LEU 25 -0.718 4.109 10.325 319 HD22 LEU 25 HD22 LEU 25 -0.522 2.368 10.459 320 HD23 LEU 25 HD23 LEU 25 -0.638 3.352 11.919 321 H ASN 26 HN ASN 26 -4.927 4.811 14.365 322 HA ASN 26 HA ASN 26 -6.153 6.396 15.339 323 HB2 ASN 26 HB2 ASN 26 -3.604 8.002 15.092 324 HB3 ASN 26 HB1 ASN 26 -5.038 8.618 15.904 325 HD21 ASN 26 HD21 ASN 26 -2.386 6.395 16.061 326 HD22 ASN 26 HD22 ASN 26 -2.634 5.918 17.703 327 H LEU 27 HN LEU 27 -6.210 6.069 12.475 328 HA LEU 27 HA LEU 27 -6.686 8.752 11.577 329 HB2 LEU 27 HB2 LEU 27 -6.740 7.848 9.362 330 HB3 LEU 27 HB1 LEU 27 -5.283 7.320 10.166 331 HG LEU 27 HG LEU 27 -6.824 5.115 10.510 332 HD11 LEU 27 HD11 LEU 27 -8.135 4.711 8.527 333 HD12 LEU 27 HD12 LEU 27 -7.788 6.338 7.945 334 HD13 LEU 27 HD13 LEU 27 -8.754 6.113 9.403 335 HD21 LEU 27 HD21 LEU 27 -5.741 4.202 8.543 336 HD22 LEU 27 HD22 LEU 27 -4.625 5.196 9.476 337 HD23 LEU 27 HD23 LEU 27 -5.341 5.830 7.989 338 H ASN 28 HN ASN 28 -8.702 8.618 9.890 339 HA ASN 28 HA ASN 28 -10.953 7.317 11.248 340 HB2 ASN 28 HB2 ASN 28 -12.302 9.297 11.496 341 HB3 ASN 28 HB1 ASN 28 -10.878 9.461 12.459 342 HD21 ASN 28 HD21 ASN 28 -9.271 10.373 9.908 343 HD22 ASN 28 HD22 ASN 28 -9.879 11.935 9.660 344 H ILE 29 HN ILE 29 -13.101 8.217 10.193 345 HA ILE 29 HA ILE 29 -13.022 7.564 7.405 346 HB ILE 29 HB ILE 29 -15.138 8.530 9.288 347 HG12 ILE 29 HG12 ILE 29 -14.443 6.259 9.806 348 HG13 ILE 29 HG11 ILE 29 -16.065 6.211 9.134 349 HG21 ILE 29 HG21 ILE 29 -16.857 7.957 7.549 350 HG22 ILE 29 HG22 ILE 29 -15.576 7.479 6.451 351 HG23 ILE 29 HG23 ILE 29 -15.736 9.173 6.922 352 HD11 ILE 29 HD11 ILE 29 -15.104 5.512 6.982 353 HD12 ILE 29 HD12 ILE 29 -14.744 4.400 8.296 354 HD13 ILE 29 HD13 ILE 29 -13.499 5.507 7.721 355 H ASP 30 HN ASP 30 -13.171 8.968 5.737 356 HA ASP 30 HA ASP 30 -13.042 10.798 4.494 357 HB2 ASP 30 HB2 ASP 30 -14.066 12.208 6.931 358 HB3 ASP 30 HB1 ASP 30 -13.399 13.157 5.606 359 H ASP 31 HN ASP 31 -11.026 9.695 6.341 360 HA ASP 31 HA ASP 31 -9.077 11.774 6.673 361 HB2 ASP 31 HB2 ASP 31 -9.439 9.418 7.701 362 HB3 ASP 31 HB1 ASP 31 -8.393 8.887 6.390 363 H GLU 32 HN GLU 32 -8.168 12.591 4.944 364 HA GLU 32 HA GLU 32 -8.349 11.267 2.445 365 HB2 GLU 32 HB2 GLU 32 -8.630 13.681 2.524 366 HB3 GLU 32 HB1 GLU 32 -7.048 13.900 3.229 367 HG2 GLU 32 HG2 GLU 32 -5.974 13.317 1.253 368 HG3 GLU 32 HG1 GLU 32 -7.439 12.598 0.579 369 H VAL 33 HN VAL 33 -6.800 10.161 1.423 370 HA VAL 33 HA VAL 33 -4.360 9.896 2.946 371 HB VAL 33 HB VAL 33 -4.262 7.513 2.779 372 HG11 VAL 33 HG11 VAL 33 -7.098 8.189 3.269 373 HG12 VAL 33 HG12 VAL 33 -5.792 8.399 4.463 374 HG13 VAL 33 HG13 VAL 33 -6.254 6.767 3.896 375 HG21 VAL 33 HG21 VAL 33 -5.042 7.255 0.488 376 HG22 VAL 33 HG22 VAL 33 -6.699 7.599 1.033 377 HG23 VAL 33 HG23 VAL 33 -5.871 6.147 1.586 378 H LYS 34 HN LYS 34 -2.556 9.018 1.864 379 HA LYS 34 HA LYS 34 -2.351 9.920 -0.898 380 HB2 LYS 34 HB2 LYS 34 -0.365 9.246 1.237 381 HB3 LYS 34 HB1 LYS 34 0.106 9.250 -0.450 382 HG2 LYS 34 HG2 LYS 34 -0.438 11.576 -0.644 383 HG3 LYS 34 HG1 LYS 34 -1.095 11.604 0.983 384 HD2 LYS 34 HD2 LYS 34 1.229 12.550 0.808 385 HD3 LYS 34 HD1 LYS 34 1.082 11.219 1.952 386 HE2 LYS 34 HE2 LYS 34 3.114 10.997 0.641 387 HE3 LYS 34 HE1 LYS 34 2.008 9.683 0.279 388 HZ1 LYS 34 HZ1 LYS 34 1.321 11.065 -1.726 389 HZ2 LYS 34 HZ2 LYS 34 2.821 10.381 -1.807 390 HZ3 LYS 34 HZ3 LYS 34 2.675 12.026 -1.450 391 H ILE 35 HN ILE 35 -2.973 8.357 -2.322 392 HA ILE 35 HA ILE 35 -1.940 5.679 -1.879 393 HB ILE 35 HB ILE 35 -3.665 6.765 -4.146 394 HG12 ILE 35 HG12 ILE 35 -5.325 4.990 -3.278 395 HG13 ILE 35 HG11 ILE 35 -4.336 4.974 -1.822 396 HG21 ILE 35 HG21 ILE 35 -2.214 5.066 -5.034 397 HG22 ILE 35 HG22 ILE 35 -3.862 4.442 -4.957 398 HG23 ILE 35 HG23 ILE 35 -2.673 3.953 -3.746 399 HD11 ILE 35 HD11 ILE 35 -5.850 7.308 -2.958 400 HD12 ILE 35 HD12 ILE 35 -4.781 7.387 -1.567 401 HD13 ILE 35 HD13 ILE 35 -6.239 6.386 -1.501 402 H ASP 36 HN ASP 36 0.146 5.749 -2.174 403 HA ASP 36 HA ASP 36 1.217 7.337 -4.401 404 HB2 ASP 36 HB2 ASP 36 2.111 7.053 -1.771 405 HB3 ASP 36 HB1 ASP 36 3.098 5.898 -2.662 406 H LEU 37 HN LEU 37 1.722 6.244 -6.270 407 HA LEU 37 HA LEU 37 1.610 3.418 -6.198 408 HB2 LEU 37 HB2 LEU 37 0.099 4.938 -7.605 409 HB3 LEU 37 HB1 LEU 37 1.596 5.404 -8.393 410 HG LEU 37 HG LEU 37 0.083 3.779 -9.594 411 HD11 LEU 37 HD11 LEU 37 2.957 3.177 -9.158 412 HD12 LEU 37 HD12 LEU 37 2.270 4.292 -10.329 413 HD13 LEU 37 HD13 LEU 37 1.994 2.545 -10.516 414 HD21 LEU 37 HD21 LEU 37 0.260 1.478 -9.026 415 HD22 LEU 37 HD22 LEU 37 -0.276 2.413 -7.602 416 HD23 LEU 37 HD23 LEU 37 1.397 1.869 -7.733 417 H VAL 38 HN VAL 38 3.299 2.387 -6.608 418 HA VAL 38 HA VAL 38 5.729 3.616 -7.724 419 HB VAL 38 HB VAL 38 5.836 2.017 -5.132 420 HG11 VAL 38 HG11 VAL 38 8.032 3.453 -6.609 421 HG12 VAL 38 HG12 VAL 38 7.812 1.709 -6.489 422 HG13 VAL 38 HG13 VAL 38 8.202 2.649 -5.047 423 HG21 VAL 38 HG21 VAL 38 4.910 4.242 -4.686 424 HG22 VAL 38 HG22 VAL 38 6.282 4.986 -5.508 425 HG23 VAL 38 HG23 VAL 38 6.532 4.093 -4.009 426 H ASP 39 HN ASP 39 5.987 2.315 -9.476 427 HA ASP 39 HA ASP 39 6.544 0.501 -10.746 428 HB2 ASP 39 HB2 ASP 39 6.986 -0.902 -8.089 429 HB3 ASP 39 HB1 ASP 39 7.424 -1.576 -9.652 430 H GLY 40 HN GLY 40 3.903 0.974 -9.658 431 HA2 GLY 40 HA2 GLY 40 1.857 0.026 -10.456 432 HA3 GLY 40 HA1 GLY 40 2.665 -1.534 -10.564 433 H LYS 41 HN LYS 41 3.760 -0.664 -7.750 434 HA LYS 41 HA LYS 41 1.809 -2.201 -6.319 435 HB2 LYS 41 HB2 LYS 41 4.231 -2.579 -6.204 436 HB3 LYS 41 HB1 LYS 41 4.443 -0.952 -5.581 437 HG2 LYS 41 HG2 LYS 41 2.974 -1.703 -3.636 438 HG3 LYS 41 HG1 LYS 41 3.245 -3.347 -4.235 439 HD2 LYS 41 HD2 LYS 41 5.373 -1.355 -3.563 440 HD3 LYS 41 HD1 LYS 41 4.897 -2.690 -2.499 441 HE2 LYS 41 HE2 LYS 41 6.099 -2.934 -5.283 442 HE3 LYS 41 HE1 LYS 41 6.981 -3.124 -3.780 443 HZ1 LYS 41 HZ1 LYS 41 4.745 -4.934 -4.649 444 HZ2 LYS 41 HZ2 LYS 41 5.660 -5.016 -3.249 445 HZ3 LYS 41 HZ3 LYS 41 6.406 -5.228 -4.721 446 H LEU 42 HN LEU 42 0.548 -1.305 -4.700 447 HA LEU 42 HA LEU 42 0.577 1.599 -4.557 448 HB2 LEU 42 HB2 LEU 42 -1.565 -0.388 -3.890 449 HB3 LEU 42 HB1 LEU 42 -1.667 1.293 -3.406 450 HG LEU 42 HG LEU 42 -1.488 1.805 -5.900 451 HD11 LEU 42 HD11 LEU 42 -2.213 -1.099 -6.092 452 HD12 LEU 42 HD12 LEU 42 -0.712 -0.348 -6.638 453 HD13 LEU 42 HD13 LEU 42 -2.244 0.073 -7.415 454 HD21 LEU 42 HD21 LEU 42 -3.473 2.075 -4.594 455 HD22 LEU 42 HD22 LEU 42 -3.901 0.377 -4.819 456 HD23 LEU 42 HD23 LEU 42 -3.882 1.483 -6.205 457 H ILE 43 HN ILE 43 0.771 2.634 -2.746 458 HA ILE 43 HA ILE 43 1.414 1.066 -0.337 459 HB ILE 43 HB ILE 43 2.424 3.838 -0.981 460 HG12 ILE 43 HG12 ILE 43 3.318 2.277 -2.642 461 HG13 ILE 43 HG11 ILE 43 4.586 2.902 -1.581 462 HG21 ILE 43 HG21 ILE 43 2.370 3.245 1.363 463 HG22 ILE 43 HG22 ILE 43 4.028 3.446 0.786 464 HG23 ILE 43 HG23 ILE 43 3.370 1.826 1.039 465 HD11 ILE 43 HD11 ILE 43 4.904 0.533 -2.075 466 HD12 ILE 43 HD12 ILE 43 3.299 0.174 -1.434 467 HD13 ILE 43 HD13 ILE 43 4.566 0.775 -0.362 468 H ILE 44 HN ILE 44 0.363 1.701 1.455 469 HA ILE 44 HA ILE 44 -1.533 3.904 1.135 470 HB ILE 44 HB ILE 44 -1.899 1.348 2.707 471 HG12 ILE 44 HG12 ILE 44 -2.323 1.129 0.304 472 HG13 ILE 44 HG11 ILE 44 -3.808 0.938 1.227 473 HG21 ILE 44 HG21 ILE 44 -3.747 3.741 2.620 474 HG22 ILE 44 HG22 ILE 44 -2.824 3.185 4.013 475 HG23 ILE 44 HG23 ILE 44 -4.126 2.186 3.363 476 HD11 ILE 44 HD11 ILE 44 -4.107 2.234 -0.842 477 HD12 ILE 44 HD12 ILE 44 -2.995 3.458 -0.234 478 HD13 ILE 44 HD13 ILE 44 -4.518 3.155 0.596 479 H GLU 45 HN GLU 45 -0.829 5.534 2.081 480 HA GLU 45 HA GLU 45 0.118 5.411 4.848 481 HB2 GLU 45 HB2 GLU 45 1.972 5.748 3.110 482 HB3 GLU 45 HB1 GLU 45 1.129 7.191 2.580 483 HG2 GLU 45 HG2 GLU 45 3.023 7.742 3.925 484 HG3 GLU 45 HG1 GLU 45 1.570 8.212 4.784 485 HA PRO 46 HA PRO 46 -3.261 8.155 4.597 486 HB2 PRO 46 HB2 PRO 46 -3.168 9.100 7.259 487 HB3 PRO 46 HB1 PRO 46 -4.085 7.723 6.650 488 HG2 PRO 46 HG2 PRO 46 -1.909 7.703 8.340 489 HG3 PRO 46 HG1 PRO 46 -2.645 6.280 7.535 490 HD2 PRO 46 HD2 PRO 46 -0.247 7.899 6.828 491 HD3 PRO 46 HD1 PRO 46 -0.425 6.187 6.506 492 H VAL 47 HN VAL 47 -3.750 10.558 5.155 493 HA VAL 47 HA VAL 47 -1.229 11.992 4.789 494 HB VAL 47 HB VAL 47 -3.987 13.179 4.515 495 HG11 VAL 47 HG11 VAL 47 -1.294 14.192 3.730 496 HG12 VAL 47 HG12 VAL 47 -2.254 14.802 5.108 497 HG13 VAL 47 HG13 VAL 47 -2.813 15.045 3.430 498 HG21 VAL 47 HG21 VAL 47 -3.426 13.322 2.064 499 HG22 VAL 47 HG22 VAL 47 -3.735 11.714 2.692 500 HG23 VAL 47 HG23 VAL 47 -2.059 12.264 2.431 501 H ARG 48 HN ARG 48 -0.517 12.003 6.641 502 HA ARG 48 HA ARG 48 -2.072 12.754 8.960 503 HB2 ARG 48 HB2 ARG 48 0.857 12.104 8.729 504 HB3 ARG 48 HB1 ARG 48 -0.009 12.381 10.220 505 HG2 ARG 48 HG2 ARG 48 -1.411 10.365 9.626 506 HG3 ARG 48 HG1 ARG 48 -0.243 10.056 8.332 507 HD2 ARG 48 HD2 ARG 48 1.559 10.185 10.062 508 HD3 ARG 48 HD1 ARG 48 0.291 10.251 11.273 509 HE ARG 48 HE ARG 48 0.631 7.988 9.430 510 HH11 ARG 48 HH11 ARG 48 -0.098 9.180 12.683 511 HH12 ARG 48 HH12 ARG 48 -0.005 7.664 13.445 512 HH21 ARG 48 HH21 ARG 48 0.763 5.887 10.468 513 HH22 ARG 48 HH22 ARG 48 0.527 5.727 12.148 514 H LYS 49 HN LYS 49 -2.073 14.820 9.785 515 HA LYS 49 HA LYS 49 0.086 16.450 9.029 516 HB2 LYS 49 HB2 LYS 49 -1.428 18.261 8.601 517 HB3 LYS 49 HB1 LYS 49 -1.636 17.002 7.401 518 HG2 LYS 49 HG2 LYS 49 -3.825 17.745 7.818 519 HG3 LYS 49 HG1 LYS 49 -3.693 16.328 8.856 520 HD2 LYS 49 HD2 LYS 49 -4.791 18.163 10.044 521 HD3 LYS 49 HD1 LYS 49 -3.230 17.802 10.781 522 HE2 LYS 49 HE2 LYS 49 -2.237 19.720 9.576 523 HE3 LYS 49 HE1 LYS 49 -3.805 20.075 8.865 524 HZ1 LYS 49 HZ1 LYS 49 -3.389 21.486 10.735 525 HZ2 LYS 49 HZ2 LYS 49 -3.061 20.171 11.728 526 HZ3 LYS 49 HZ3 LYS 49 -4.637 20.426 11.157 527 H GLU 50 HN GLU 50 0.587 17.747 10.571 528 HA GLU 50 HA GLU 50 -0.688 17.306 13.149 529 HB2 GLU 50 HB2 GLU 50 1.964 18.616 12.468 530 HB3 GLU 50 HB1 GLU 50 1.330 18.439 14.088 531 HG2 GLU 50 HG2 GLU 50 2.984 16.768 13.798 532 HG3 GLU 50 HG1 GLU 50 1.427 15.950 13.756 533 H1 ASN -16 HT1 ASN -16 -3.854 10.525 -20.665 534 H2 ASN -16 HT2 ASN -16 -3.427 10.678 -19.036 535 H3 ASN -16 HT3 ASN -16 -4.379 9.383 -19.556 536 HA ASN -16 HA ASN -16 -1.602 9.867 -20.368 537 HB2 ASN -16 HB2 ASN -16 -1.866 9.065 -17.998 538 HB3 ASN -16 HB1 ASN -16 -2.744 7.673 -18.615 539 HD21 ASN -16 HD21 ASN -16 -0.292 7.829 -17.097 540 HD22 ASN -16 HD22 ASN -16 0.918 7.003 -18.038 541 H HIS -15 HN HIS -15 -1.368 9.231 -22.304 542 HA HIS -15 HA HIS -15 -3.162 7.226 -23.429 543 HB2 HIS -15 HB2 HIS -15 -3.112 9.315 -24.614 544 HB3 HIS -15 HB1 HIS -15 -1.359 9.290 -24.696 545 HD1 HIS -15 HD1 HIS -15 -0.625 8.778 -27.017 546 HD2 HIS -15 HD2 HIS -15 -4.139 6.794 -26.024 547 HE1 HIS -15 HE1 HIS -15 -1.263 7.439 -29.046 548 H LYS -14 HN LYS -14 0.256 7.952 -22.887 549 HA LYS -14 HA LYS -14 0.891 5.509 -24.268 550 HB2 LYS -14 HB2 LYS -14 3.281 6.192 -24.109 551 HB3 LYS -14 HB1 LYS -14 2.267 7.294 -25.019 552 HG2 LYS -14 HG2 LYS -14 2.191 8.803 -23.091 553 HG3 LYS -14 HG1 LYS -14 3.240 7.701 -22.195 554 HD2 LYS -14 HD2 LYS -14 4.978 7.997 -23.910 555 HD3 LYS -14 HD1 LYS -14 3.925 9.119 -24.771 556 HE2 LYS -14 HE2 LYS -14 5.515 10.376 -23.470 557 HE3 LYS -14 HE1 LYS -14 3.910 10.582 -22.777 558 HZ1 LYS -14 HZ1 LYS -14 5.551 10.223 -21.055 559 HZ2 LYS -14 HZ2 LYS -14 6.052 8.799 -21.771 560 HZ3 LYS -14 HZ3 LYS -14 4.507 8.895 -21.090 561 H VAL -13 HN VAL -13 -0.158 4.313 -22.644 562 HA VAL -13 HA VAL -13 1.382 3.825 -20.231 563 HB VAL -13 HB VAL -13 -0.240 2.015 -19.757 564 HG11 VAL -13 HG11 VAL -13 -2.267 3.377 -19.548 565 HG12 VAL -13 HG12 VAL -13 -1.566 4.572 -20.639 566 HG13 VAL -13 HG13 VAL -13 -0.820 4.263 -19.069 567 HG21 VAL -13 HG21 VAL -13 -2.155 1.615 -21.244 568 HG22 VAL -13 HG22 VAL -13 -0.628 1.233 -22.036 569 HG23 VAL -13 HG23 VAL -13 -1.470 2.733 -22.425 570 H HIS -12 HN HIS -12 1.716 3.174 -23.306 571 HA HIS -12 HA HIS -12 2.754 0.502 -23.079 572 HB2 HIS -12 HB2 HIS -12 3.094 0.788 -25.634 573 HB3 HIS -12 HB1 HIS -12 1.456 0.646 -25.022 574 HD1 HIS -12 HD1 HIS -12 -0.145 2.487 -25.701 575 HD2 HIS -12 HD2 HIS -12 3.826 3.521 -26.332 576 HE1 HIS -12 HE1 HIS -12 -0.179 4.703 -26.894 577 H HIS -11 HN HIS -11 4.378 1.211 -21.647 578 HA HIS -11 HA HIS -11 6.749 2.200 -23.051 579 HB2 HIS -11 HB2 HIS -11 5.878 2.495 -20.194 580 HB3 HIS -11 HB1 HIS -11 7.593 2.433 -20.557 581 HD1 HIS -11 HD1 HIS -11 8.530 4.745 -20.618 582 HD2 HIS -11 HD2 HIS -11 4.648 4.618 -22.114 583 HE1 HIS -11 HE1 HIS -11 7.942 7.097 -21.200 584 H HIS -10 HN HIS -10 8.557 1.011 -22.959 585 HA HIS -10 HA HIS -10 8.153 -1.804 -22.383 586 HB2 HIS -10 HB2 HIS -10 10.527 -0.360 -23.588 587 HB3 HIS -10 HB1 HIS -10 10.322 -2.105 -23.499 588 HD1 HIS -10 HD1 HIS -10 9.390 0.859 -25.537 589 HD2 HIS -10 HD2 HIS -10 8.326 -3.148 -25.238 590 HE1 HIS -10 HE1 HIS -10 8.095 0.318 -27.622 591 H HIS -9 HN HIS -9 9.858 0.956 -21.224 592 HA HIS -9 HA HIS -9 11.113 -0.636 -19.131 593 HB2 HIS -9 HB2 HIS -9 12.605 0.898 -20.392 594 HB3 HIS -9 HB1 HIS -9 11.569 2.251 -19.969 595 HD1 HIS -9 HD1 HIS -9 13.569 -0.392 -18.049 596 HD2 HIS -9 HD2 HIS -9 12.506 3.620 -17.877 597 HE1 HIS -9 HE1 HIS -9 14.671 0.540 -15.984 598 H HIS -8 HN HIS -8 9.717 -0.929 -17.514 599 HA HIS -8 HA HIS -8 7.684 1.038 -17.037 600 HB2 HIS -8 HB2 HIS -8 7.142 -1.400 -17.003 601 HB3 HIS -8 HB1 HIS -8 8.135 -1.567 -15.562 602 HD1 HIS -8 HD1 HIS -8 6.677 -1.675 -13.511 603 HD2 HIS -8 HD2 HIS -8 5.072 0.778 -16.453 604 HE1 HIS -8 HE1 HIS -8 4.517 -0.780 -12.579 605 H HIS -7 HN HIS -7 9.091 2.664 -16.444 606 HA HIS -7 HA HIS -7 9.765 2.584 -13.567 607 HB2 HIS -7 HB2 HIS -7 11.736 2.833 -15.160 608 HB3 HIS -7 HB1 HIS -7 11.034 4.347 -15.697 609 HD1 HIS -7 HD1 HIS -7 13.005 2.838 -12.873 610 HD2 HIS -7 HD2 HIS -7 11.308 6.489 -13.891 611 HE1 HIS -7 HE1 HIS -7 13.992 4.523 -11.304 612 H MET -6 HN MET -6 7.436 3.348 -15.450 613 HA MET -6 HA MET -6 7.150 6.146 -14.783 614 HB2 MET -6 HB2 MET -6 5.170 6.147 -16.254 615 HB3 MET -6 HB1 MET -6 6.612 5.591 -17.079 616 HG2 MET -6 HG2 MET -6 5.828 3.256 -16.789 617 HG3 MET -6 HG1 MET -6 4.355 3.873 -16.051 618 HE1 MET -6 HE1 MET -6 3.873 6.509 -17.921 619 HE2 MET -6 HE2 MET -6 2.587 5.427 -17.393 620 HE3 MET -6 HE3 MET -6 2.754 5.828 -19.104 621 H SER -5 HN SER -5 6.764 6.189 -12.640 622 HA SER -5 HA SER -5 4.025 5.430 -12.006 623 HB2 SER -5 HB2 SER -5 6.362 5.172 -10.030 624 HB3 SER -5 HB1 SER -5 4.658 4.894 -9.683 625 HG SER -5 HG SER -5 5.410 3.526 -11.854 626 H ASP -4 HN ASP -4 6.695 7.533 -11.090 627 HA ASP -4 HA ASP -4 4.937 9.522 -9.945 628 HB2 ASP -4 HB2 ASP -4 7.013 9.164 -8.803 629 HB3 ASP -4 HB1 ASP -4 7.922 9.271 -10.301 630 H ASP -3 HN ASP -3 6.180 8.723 -12.886 631 HA ASP -3 HA ASP -3 6.555 11.147 -14.225 632 HB2 ASP -3 HB2 ASP -3 7.198 9.037 -15.233 633 HB3 ASP -3 HB1 ASP -3 5.517 8.515 -15.288 634 H ASP -2 HN ASP -2 3.649 9.167 -13.953 635 HA ASP -2 HA ASP -2 2.127 11.348 -15.161 636 HB2 ASP -2 HB2 ASP -2 1.919 9.250 -16.334 637 HB3 ASP -2 HB1 ASP -2 1.424 8.438 -14.856 638 H ASP -1 HN ASP -1 2.304 9.411 -12.225 639 HA ASP -1 HA ASP -1 0.271 11.202 -11.166 640 HB2 ASP -1 HB2 ASP -1 -0.754 8.992 -11.359 641 HB3 ASP -1 HB1 ASP -1 0.584 8.281 -10.454 642 H LYS 0 HN LYS 0 0.652 12.064 -9.221 643 HA LYS 0 HA LYS 0 3.236 11.383 -8.046 644 HB2 LYS 0 HB2 LYS 0 2.005 14.111 -8.423 645 HB3 LYS 0 HB1 LYS 0 3.448 13.804 -7.460 646 HG2 LYS 0 HG2 LYS 0 4.554 12.886 -9.449 647 HG3 LYS 0 HG1 LYS 0 3.126 13.267 -10.402 648 HD2 LYS 0 HD2 LYS 0 3.421 15.610 -9.996 649 HD3 LYS 0 HD1 LYS 0 4.757 15.297 -8.889 650 HE2 LYS 0 HE2 LYS 0 4.682 14.715 -11.851 651 HE3 LYS 0 HE1 LYS 0 5.615 15.980 -11.050 652 HZ1 LYS 0 HZ1 LYS 0 6.043 13.036 -10.925 653 HZ2 LYS 0 HZ2 LYS 0 6.703 14.062 -9.797 654 HZ3 LYS 0 HZ3 LYS 0 7.145 14.230 -11.410 655 H GLY 1 HN GLY 1 0.503 10.442 -7.431 656 HA2 GLY 1 HA2 GLY 1 0.233 9.692 -5.139 657 HA3 GLY 1 HA1 GLY 1 0.436 11.377 -4.667 658 H ILE 2 HN ILE 2 -1.707 8.983 -5.802 659 HA ILE 2 HA ILE 2 -3.863 10.727 -6.492 660 HB ILE 2 HB ILE 2 -3.879 7.779 -5.731 661 HG12 ILE 2 HG12 ILE 2 -4.026 9.076 -8.459 662 HG13 ILE 2 HG11 ILE 2 -2.605 8.294 -7.787 663 HG21 ILE 2 HG21 ILE 2 -6.119 7.667 -6.725 664 HG22 ILE 2 HG22 ILE 2 -6.090 9.408 -6.993 665 HG23 ILE 2 HG23 ILE 2 -6.078 8.770 -5.349 666 HD11 ILE 2 HD11 ILE 2 -3.738 6.851 -9.375 667 HD12 ILE 2 HD12 ILE 2 -5.224 6.960 -8.430 668 HD13 ILE 2 HD13 ILE 2 -3.807 6.159 -7.753 669 H HIS 3 HN HIS 3 -5.273 11.654 -5.132 670 HA HIS 3 HA HIS 3 -4.985 10.902 -2.335 671 HB2 HIS 3 HB2 HIS 3 -5.674 13.141 -1.622 672 HB3 HIS 3 HB1 HIS 3 -4.318 13.278 -2.719 673 HD1 HIS 3 HD1 HIS 3 -7.745 14.466 -2.140 674 HD2 HIS 3 HD2 HIS 3 -5.048 14.396 -5.312 675 HE1 HIS 3 HE1 HIS 3 -8.672 16.010 -3.904 676 H SER 4 HN SER 4 -6.585 10.140 -1.302 677 HA SER 4 HA SER 4 -9.315 10.414 -2.291 678 HB2 SER 4 HB2 SER 4 -7.873 7.850 -1.766 679 HB3 SER 4 HB1 SER 4 -9.596 7.908 -1.925 680 HG SER 4 HG SER 4 -8.291 9.201 -3.952 681 H SER 5 HN SER 5 -10.444 8.627 -0.444 682 HA SER 5 HA SER 5 -9.399 9.393 2.110 683 HB2 SER 5 HB2 SER 5 -11.665 10.317 2.768 684 HB3 SER 5 HB1 SER 5 -10.723 11.330 1.677 685 HG SER 5 HG SER 5 -11.955 10.600 -0.032 686 H VAL 6 HN VAL 6 -10.220 8.156 3.759 687 HA VAL 6 HA VAL 6 -11.305 5.592 3.000 688 HB VAL 6 HB VAL 6 -10.801 6.743 5.766 689 HG11 VAL 6 HG11 VAL 6 -12.347 4.851 5.782 690 HG12 VAL 6 HG12 VAL 6 -10.802 4.417 6.512 691 HG13 VAL 6 HG13 VAL 6 -11.186 3.885 4.873 692 HG21 VAL 6 HG21 VAL 6 -8.730 5.418 5.699 693 HG22 VAL 6 HG22 VAL 6 -8.798 6.704 4.477 694 HG23 VAL 6 HG23 VAL 6 -9.118 5.023 4.012 695 H LYS 7 HN LYS 7 -13.445 5.327 2.726 696 HA LYS 7 HA LYS 7 -15.168 7.219 4.124 697 HB2 LYS 7 HB2 LYS 7 -15.548 5.685 1.557 698 HB3 LYS 7 HB1 LYS 7 -16.805 6.667 2.361 699 HG2 LYS 7 HG2 LYS 7 -14.193 7.742 1.350 700 HG3 LYS 7 HG1 LYS 7 -15.682 7.714 0.402 701 HD2 LYS 7 HD2 LYS 7 -16.771 8.964 2.282 702 HD3 LYS 7 HD1 LYS 7 -15.169 9.161 2.989 703 HE2 LYS 7 HE2 LYS 7 -14.390 10.384 1.086 704 HE3 LYS 7 HE1 LYS 7 -15.871 10.047 0.195 705 HZ1 LYS 7 HZ1 LYS 7 -17.082 11.356 1.851 706 HZ2 LYS 7 HZ2 LYS 7 -15.904 12.269 1.065 707 HZ3 LYS 7 HZ3 LYS 7 -15.645 11.745 2.639 708 H ARG 8 HN ARG 8 -17.458 6.080 4.427 709 HA ARG 8 HA ARG 8 -16.775 3.614 5.860 710 HB2 ARG 8 HB2 ARG 8 -17.719 5.586 7.151 711 HB3 ARG 8 HB1 ARG 8 -19.246 5.276 6.330 712 HG2 ARG 8 HG2 ARG 8 -19.177 2.954 7.239 713 HG3 ARG 8 HG1 ARG 8 -17.750 3.411 8.162 714 HD2 ARG 8 HD2 ARG 8 -20.543 4.496 8.414 715 HD3 ARG 8 HD1 ARG 8 -19.640 3.568 9.605 716 HE ARG 8 HE ARG 8 -19.123 6.330 8.794 717 HH11 ARG 8 HH11 ARG 8 -18.705 3.726 11.205 718 HH12 ARG 8 HH12 ARG 8 -18.130 4.736 12.424 719 HH21 ARG 8 HH21 ARG 8 -18.322 7.736 10.492 720 HH22 ARG 8 HH22 ARG 8 -17.881 7.089 12.007 721 H TRP 9 HN TRP 9 -17.478 1.811 4.991 722 HA TRP 9 HA TRP 9 -19.835 1.807 3.216 723 HB2 TRP 9 HB2 TRP 9 -17.583 1.055 2.285 724 HB3 TRP 9 HB1 TRP 9 -17.607 -0.201 3.476 725 HD1 TRP 9 HD1 TRP 9 -21.020 0.086 2.021 726 HE1 TRP 9 HE1 TRP 9 -21.383 -1.711 0.273 727 HE3 TRP 9 HE3 TRP 9 -16.128 -1.715 1.373 728 HZ2 TRP 9 HZ2 TRP 9 -20.002 -3.619 -1.081 729 HZ3 TRP 9 HZ3 TRP 9 -15.849 -3.477 -0.107 730 HH2 TRP 9 HH2 TRP 9 -17.797 -4.438 -1.386 731 H GLY 10 HN GLY 10 -21.422 1.560 4.768 732 HA2 GLY 10 HA2 GLY 10 -22.766 0.350 6.140 733 HA3 GLY 10 HA1 GLY 10 -21.651 -1.013 5.968 734 H ASN 11 HN ASN 11 -20.922 -1.575 7.901 735 HA ASN 11 HA ASN 11 -20.254 0.555 9.811 736 HB2 ASN 11 HB2 ASN 11 -20.547 -2.423 10.162 737 HB3 ASN 11 HB1 ASN 11 -19.940 -1.366 11.428 738 HD21 ASN 11 HD21 ASN 11 -22.306 -3.074 11.299 739 HD22 ASN 11 HD22 ASN 11 -23.651 -2.054 11.614 740 H SER 12 HN SER 12 -18.447 -0.215 7.347 741 HA SER 12 HA SER 12 -16.145 -0.671 8.954 742 HB2 SER 12 HB2 SER 12 -16.949 -2.304 6.558 743 HB3 SER 12 HB1 SER 12 -15.344 -2.364 7.325 744 HG SER 12 HG SER 12 -16.736 -2.759 9.296 745 HA PRO 13 HA PRO 13 -14.644 2.561 6.303 746 HB2 PRO 13 HB2 PRO 13 -11.971 2.094 6.748 747 HB3 PRO 13 HB1 PRO 13 -13.008 3.001 7.848 748 HG2 PRO 13 HG2 PRO 13 -12.092 0.169 8.006 749 HG3 PRO 13 HG1 PRO 13 -12.328 1.350 9.303 750 HD2 PRO 13 HD2 PRO 13 -14.106 -0.642 8.749 751 HD3 PRO 13 HD1 PRO 13 -14.604 0.912 9.437 752 H ALA 14 HN ALA 14 -14.227 2.612 4.166 753 HA ALA 14 HA ALA 14 -12.885 0.331 2.948 754 HB1 ALA 14 HB1 ALA 14 -15.413 1.612 1.942 755 HB2 ALA 14 HB2 ALA 14 -15.289 0.032 2.717 756 HB3 ALA 14 HB3 ALA 14 -14.510 0.311 1.160 757 H VAL 15 HN VAL 15 -11.570 0.849 1.310 758 HA VAL 15 HA VAL 15 -11.317 3.690 0.633 759 HB VAL 15 HB VAL 15 -9.201 1.507 0.485 760 HG11 VAL 15 HG11 VAL 15 -8.959 4.460 -0.115 761 HG12 VAL 15 HG12 VAL 15 -8.901 3.161 -1.303 762 HG13 VAL 15 HG13 VAL 15 -7.627 3.304 -0.092 763 HG21 VAL 15 HG21 VAL 15 -8.082 2.776 2.262 764 HG22 VAL 15 HG22 VAL 15 -9.678 2.212 2.766 765 HG23 VAL 15 HG23 VAL 15 -9.443 3.898 2.297 766 H ARG 16 HN ARG 16 -11.665 4.266 -1.421 767 HA ARG 16 HA ARG 16 -12.601 2.367 -3.338 768 HB2 ARG 16 HB2 ARG 16 -12.091 5.300 -3.403 769 HB3 ARG 16 HB1 ARG 16 -12.582 4.414 -4.844 770 HG2 ARG 16 HG2 ARG 16 -14.637 3.763 -3.537 771 HG3 ARG 16 HG1 ARG 16 -14.101 4.898 -2.299 772 HD2 ARG 16 HD2 ARG 16 -14.081 6.703 -3.797 773 HD3 ARG 16 HD1 ARG 16 -14.351 5.660 -5.178 774 HE ARG 16 HE ARG 16 -16.467 5.699 -3.184 775 HH11 ARG 16 HH11 ARG 16 -15.304 6.881 -6.331 776 HH12 ARG 16 HH12 ARG 16 -16.817 7.537 -6.771 777 HH21 ARG 16 HH21 ARG 16 -18.510 6.618 -3.841 778 HH22 ARG 16 HH22 ARG 16 -18.653 7.397 -5.354 779 H ILE 17 HN ILE 17 -11.429 1.348 -4.826 780 HA ILE 17 HA ILE 17 -8.664 2.156 -5.319 781 HB ILE 17 HB ILE 17 -10.210 -0.295 -6.263 782 HG12 ILE 17 HG12 ILE 17 -9.821 -0.402 -3.864 783 HG13 ILE 17 HG11 ILE 17 -8.821 -1.587 -4.684 784 HG21 ILE 17 HG21 ILE 17 -7.240 0.197 -6.496 785 HG22 ILE 17 HG22 ILE 17 -8.395 0.378 -7.801 786 HG23 ILE 17 HG23 ILE 17 -8.132 -1.211 -7.085 787 HD11 ILE 17 HD11 ILE 17 -7.912 1.063 -3.574 788 HD12 ILE 17 HD12 ILE 17 -6.879 -0.121 -4.390 789 HD13 ILE 17 HD13 ILE 17 -7.656 -0.527 -2.861 790 HA PRO 18 HA PRO 18 -10.144 4.247 -9.015 791 HB2 PRO 18 HB2 PRO 18 -7.672 4.403 -10.274 792 HB3 PRO 18 HB1 PRO 18 -8.280 5.583 -9.113 793 HG2 PRO 18 HG2 PRO 18 -6.364 3.342 -8.709 794 HG3 PRO 18 HG1 PRO 18 -6.386 4.945 -7.960 795 HD2 PRO 18 HD2 PRO 18 -7.184 2.708 -6.684 796 HD3 PRO 18 HD1 PRO 18 -7.897 4.296 -6.340 797 H ALA 19 HN ALA 19 -11.074 3.295 -10.669 798 HA ALA 19 HA ALA 19 -10.837 0.657 -11.456 799 HB1 ALA 19 HB1 ALA 19 -12.767 2.078 -11.974 800 HB2 ALA 19 HB2 ALA 19 -12.165 1.246 -13.409 801 HB3 ALA 19 HB3 ALA 19 -11.801 2.955 -13.160 802 H THR 20 HN THR 20 -9.054 3.428 -12.609 803 HA THR 20 HA THR 20 -7.893 2.520 -14.921 804 HB THR 20 HB THR 20 -6.511 4.139 -12.802 805 HG1 THR 20 HG1 THR 20 -7.906 5.753 -14.295 806 HG21 THR 20 HG21 THR 20 -5.310 3.681 -14.917 807 HG22 THR 20 HG22 THR 20 -5.697 5.389 -14.729 808 HG23 THR 20 HG23 THR 20 -6.656 4.384 -15.819 809 H LEU 21 HN LEU 21 -7.019 1.966 -11.521 810 HA LEU 21 HA LEU 21 -4.521 0.683 -12.131 811 HB2 LEU 21 HB2 LEU 21 -5.990 1.394 -9.658 812 HB3 LEU 21 HB1 LEU 21 -4.760 0.154 -9.573 813 HG LEU 21 HG LEU 21 -4.100 2.413 -8.939 814 HD11 LEU 21 HD11 LEU 21 -2.635 1.153 -11.294 815 HD12 LEU 21 HD12 LEU 21 -2.436 0.704 -9.601 816 HD13 LEU 21 HD13 LEU 21 -1.895 2.287 -10.163 817 HD21 LEU 21 HD21 LEU 21 -4.348 2.912 -11.878 818 HD22 LEU 21 HD22 LEU 21 -3.478 4.005 -10.784 819 HD23 LEU 21 HD23 LEU 21 -5.225 3.750 -10.598 820 H MET 22 HN MET 22 -7.651 -0.146 -11.154 821 HA MET 22 HA MET 22 -7.495 -2.898 -10.741 822 HB2 MET 22 HB2 MET 22 -9.587 -1.409 -12.328 823 HB3 MET 22 HB1 MET 22 -9.765 -3.071 -11.818 824 HG2 MET 22 HG2 MET 22 -9.408 -0.761 -9.925 825 HG3 MET 22 HG1 MET 22 -10.970 -1.377 -10.470 826 HE1 MET 22 HE1 MET 22 -10.483 -4.478 -10.624 827 HE2 MET 22 HE2 MET 22 -11.913 -3.710 -9.945 828 HE3 MET 22 HE3 MET 22 -11.066 -4.964 -9.030 829 H GLN 23 HN GLN 23 -7.976 -1.289 -13.751 830 HA GLN 23 HA GLN 23 -7.582 -3.500 -15.441 831 HB2 GLN 23 HB2 GLN 23 -7.243 -0.559 -15.962 832 HB3 GLN 23 HB1 GLN 23 -7.269 -1.811 -17.195 833 HG2 GLN 23 HG2 GLN 23 -9.492 -2.410 -16.544 834 HG3 GLN 23 HG1 GLN 23 -9.496 -1.187 -15.291 835 HE21 GLN 23 HE21 GLN 23 -11.272 -0.124 -16.192 836 HE22 GLN 23 HE22 GLN 23 -11.150 0.836 -17.617 837 H ALA 24 HN ALA 24 -5.433 -1.237 -13.982 838 HA ALA 24 HA ALA 24 -3.245 -1.700 -15.830 839 HB1 ALA 24 HB1 ALA 24 -3.072 -0.429 -13.102 840 HB2 ALA 24 HB2 ALA 24 -3.476 0.435 -14.582 841 HB3 ALA 24 HB3 ALA 24 -1.883 -0.307 -14.398 842 H LEU 25 HN LEU 25 -4.165 -2.891 -12.736 843 HA LEU 25 HA LEU 25 -1.769 -4.496 -12.437 844 HB2 LEU 25 HB2 LEU 25 -4.173 -4.062 -10.724 845 HB3 LEU 25 HB1 LEU 25 -2.789 -5.050 -10.276 846 HG LEU 25 HG LEU 25 -2.621 -2.107 -10.909 847 HD11 LEU 25 HD11 LEU 25 -3.949 -2.369 -8.978 848 HD12 LEU 25 HD12 LEU 25 -2.322 -1.873 -8.464 849 HD13 LEU 25 HD13 LEU 25 -2.843 -3.561 -8.319 850 HD21 LEU 25 HD21 LEU 25 -0.674 -4.047 -9.677 851 HD22 LEU 25 HD22 LEU 25 -0.442 -2.307 -9.795 852 HD23 LEU 25 HD23 LEU 25 -0.537 -3.279 -11.262 853 H ASN 26 HN ASN 26 -4.725 -4.691 -13.891 854 HA ASN 26 HA ASN 26 -5.934 -6.291 -14.913 855 HB2 ASN 26 HB2 ASN 26 -3.447 -7.933 -14.407 856 HB3 ASN 26 HB1 ASN 26 -4.804 -8.508 -15.364 857 HD21 ASN 26 HD21 ASN 26 -2.021 -6.458 -15.268 858 HD22 ASN 26 HD22 ASN 26 -2.094 -5.943 -16.906 859 H LEU 27 HN LEU 27 -6.244 -5.903 -12.056 860 HA LEU 27 HA LEU 27 -6.723 -8.587 -11.174 861 HB2 LEU 27 HB2 LEU 27 -6.793 -7.711 -8.950 862 HB3 LEU 27 HB1 LEU 27 -5.316 -7.207 -9.731 863 HG LEU 27 HG LEU 27 -6.787 -4.962 -10.062 864 HD11 LEU 27 HD11 LEU 27 -8.121 -4.545 -8.096 865 HD12 LEU 27 HD12 LEU 27 -7.815 -6.181 -7.523 866 HD13 LEU 27 HD13 LEU 27 -8.762 -5.925 -8.991 867 HD21 LEU 27 HD21 LEU 27 -5.702 -4.101 -8.069 868 HD22 LEU 27 HD22 LEU 27 -4.603 -5.134 -8.978 869 HD23 LEU 27 HD23 LEU 27 -5.380 -5.743 -7.513 870 H ASN 28 HN ASN 28 -8.773 -8.459 -9.505 871 HA ASN 28 HA ASN 28 -10.979 -7.062 -10.847 872 HB2 ASN 28 HB2 ASN 28 -12.404 -8.995 -11.110 873 HB3 ASN 28 HB1 ASN 28 -10.986 -9.203 -12.075 874 HD21 ASN 28 HD21 ASN 28 -9.345 -10.216 -9.617 875 HD22 ASN 28 HD22 ASN 28 -10.018 -11.757 -9.365 876 H ILE 29 HN ILE 29 -13.161 -8.018 -9.776 877 HA ILE 29 HA ILE 29 -13.038 -7.300 -7.000 878 HB ILE 29 HB ILE 29 -15.186 -8.253 -8.848 879 HG12 ILE 29 HG12 ILE 29 -14.448 -6.007 -9.417 880 HG13 ILE 29 HG11 ILE 29 -16.066 -5.917 -8.742 881 HG21 ILE 29 HG21 ILE 29 -16.873 -7.625 -7.111 882 HG22 ILE 29 HG22 ILE 29 -15.571 -7.150 -6.030 883 HG23 ILE 29 HG23 ILE 29 -15.764 -8.848 -6.478 884 HD11 ILE 29 HD11 ILE 29 -15.100 -5.182 -6.610 885 HD12 ILE 29 HD12 ILE 29 -14.696 -4.115 -7.951 886 HD13 ILE 29 HD13 ILE 29 -13.489 -5.244 -7.335 887 H ASP 30 HN ASP 30 -13.307 -8.701 -5.309 888 HA ASP 30 HA ASP 30 -13.169 -10.533 -4.057 889 HB2 ASP 30 HB2 ASP 30 -14.253 -11.903 -6.476 890 HB3 ASP 30 HB1 ASP 30 -13.507 -12.887 -5.226 891 H ASP 31 HN ASP 31 -11.133 -9.468 -5.905 892 HA ASP 31 HA ASP 31 -9.233 -11.580 -6.234 893 HB2 ASP 31 HB2 ASP 31 -9.536 -9.239 -7.299 894 HB3 ASP 31 HB1 ASP 31 -8.527 -8.691 -5.966 895 H GLU 32 HN GLU 32 -8.292 -12.397 -4.532 896 HA GLU 32 HA GLU 32 -8.546 -11.121 -1.997 897 HB2 GLU 32 HB2 GLU 32 -8.824 -13.533 -2.117 898 HB3 GLU 32 HB1 GLU 32 -7.232 -13.735 -2.798 899 HG2 GLU 32 HG2 GLU 32 -6.194 -13.098 -0.807 900 HG3 GLU 32 HG1 GLU 32 -7.712 -12.506 -0.123 901 H VAL 33 HN VAL 33 -7.006 -10.029 -0.927 902 HA VAL 33 HA VAL 33 -4.535 -9.825 -2.397 903 HB VAL 33 HB VAL 33 -4.385 -7.448 -2.356 904 HG11 VAL 33 HG11 VAL 33 -7.263 -8.035 -2.807 905 HG12 VAL 33 HG12 VAL 33 -5.993 -8.282 -4.023 906 HG13 VAL 33 HG13 VAL 33 -6.396 -6.645 -3.451 907 HG21 VAL 33 HG21 VAL 33 -5.116 -7.082 -0.062 908 HG22 VAL 33 HG22 VAL 33 -6.796 -7.354 -0.589 909 HG23 VAL 33 HG23 VAL 33 -5.894 -5.968 -1.190 910 H LYS 34 HN LYS 34 -2.685 -9.043 -1.303 911 HA LYS 34 HA LYS 34 -2.536 -9.929 1.436 912 HB2 LYS 34 HB2 LYS 34 -0.630 -9.304 -0.758 913 HB3 LYS 34 HB1 LYS 34 -0.063 -9.217 0.893 914 HG2 LYS 34 HG2 LYS 34 -0.574 -11.547 1.229 915 HG3 LYS 34 HG1 LYS 34 -1.313 -11.655 -0.366 916 HD2 LYS 34 HD2 LYS 34 1.002 -12.565 -0.315 917 HD3 LYS 34 HD1 LYS 34 0.828 -11.214 -1.430 918 HE2 LYS 34 HE2 LYS 34 2.900 -11.018 -0.191 919 HE3 LYS 34 HE1 LYS 34 1.819 -9.709 0.257 920 HZ1 LYS 34 HZ1 LYS 34 1.215 -11.127 2.253 921 HZ2 LYS 34 HZ2 LYS 34 2.741 -10.516 2.287 922 HZ3 LYS 34 HZ3 LYS 34 2.496 -12.137 1.855 923 H ILE 35 HN ILE 35 -3.180 -8.364 2.852 924 HA ILE 35 HA ILE 35 -2.114 -5.699 2.442 925 HB ILE 35 HB ILE 35 -3.878 -6.797 4.670 926 HG12 ILE 35 HG12 ILE 35 -5.495 -4.977 3.819 927 HG13 ILE 35 HG11 ILE 35 -4.485 -4.922 2.384 928 HG21 ILE 35 HG21 ILE 35 -2.418 -5.151 5.636 929 HG22 ILE 35 HG22 ILE 35 -4.045 -4.474 5.523 930 HG23 ILE 35 HG23 ILE 35 -2.805 -4.009 4.354 931 HD11 ILE 35 HD11 ILE 35 -6.023 -7.293 3.411 932 HD12 ILE 35 HD12 ILE 35 -4.957 -7.310 2.013 933 HD13 ILE 35 HD13 ILE 35 -6.411 -6.309 1.992 934 H ASP 36 HN ASP 36 -0.055 -5.735 2.770 935 HA ASP 36 HA ASP 36 1.063 -7.369 4.946 936 HB2 ASP 36 HB2 ASP 36 1.925 -6.862 2.297 937 HB3 ASP 36 HB1 ASP 36 2.937 -5.860 3.340 938 H LEU 37 HN LEU 37 1.540 -6.300 6.859 939 HA LEU 37 HA LEU 37 1.432 -3.480 6.784 940 HB2 LEU 37 HB2 LEU 37 -0.114 -4.959 8.175 941 HB3 LEU 37 HB1 LEU 37 1.364 -5.453 8.985 942 HG LEU 37 HG LEU 37 -0.140 -3.772 10.155 943 HD11 LEU 37 HD11 LEU 37 2.763 -3.271 9.781 944 HD12 LEU 37 HD12 LEU 37 2.019 -4.365 10.938 945 HD13 LEU 37 HD13 LEU 37 1.796 -2.611 11.121 946 HD21 LEU 37 HD21 LEU 37 0.145 -1.475 9.588 947 HD22 LEU 37 HD22 LEU 37 -0.401 -2.396 8.157 948 HD23 LEU 37 HD23 LEU 37 1.288 -1.917 8.314 949 H VAL 38 HN VAL 38 3.137 -2.471 7.190 950 HA VAL 38 HA VAL 38 5.536 -3.752 8.309 951 HB VAL 38 HB VAL 38 5.658 -2.165 5.712 952 HG11 VAL 38 HG11 VAL 38 7.851 -3.581 7.214 953 HG12 VAL 38 HG12 VAL 38 7.629 -1.838 7.098 954 HG13 VAL 38 HG13 VAL 38 8.026 -2.775 5.654 955 HG21 VAL 38 HG21 VAL 38 4.745 -4.395 5.299 956 HG22 VAL 38 HG22 VAL 38 6.101 -5.125 6.158 957 HG23 VAL 38 HG23 VAL 38 6.379 -4.268 4.642 958 H ASP 39 HN ASP 39 5.723 -2.510 10.090 959 HA ASP 39 HA ASP 39 6.331 -0.771 11.410 960 HB2 ASP 39 HB2 ASP 39 6.980 0.643 8.811 961 HB3 ASP 39 HB1 ASP 39 7.385 1.263 10.407 962 H GLY 40 HN GLY 40 3.700 -1.028 10.201 963 HA2 GLY 40 HA2 GLY 40 1.711 0.048 10.951 964 HA3 GLY 40 HA1 GLY 40 2.635 1.531 11.157 965 H LYS 41 HN LYS 41 3.694 0.551 8.279 966 HA LYS 41 HA LYS 41 1.833 2.240 6.849 967 HB2 LYS 41 HB2 LYS 41 4.273 2.548 6.716 968 HB3 LYS 41 HB1 LYS 41 4.435 0.904 6.127 969 HG2 LYS 41 HG2 LYS 41 2.972 1.637 4.176 970 HG3 LYS 41 HG1 LYS 41 3.276 3.289 4.729 971 HD2 LYS 41 HD2 LYS 41 5.377 1.255 4.125 972 HD3 LYS 41 HD1 LYS 41 4.889 2.525 2.984 973 HE2 LYS 41 HE2 LYS 41 6.113 2.941 5.732 974 HE3 LYS 41 HE1 LYS 41 6.987 3.020 4.210 975 HZ1 LYS 41 HZ1 LYS 41 4.766 4.863 5.000 976 HZ2 LYS 41 HZ2 LYS 41 5.658 4.923 3.572 977 HZ3 LYS 41 HZ3 LYS 41 6.416 5.189 5.036 978 H LEU 42 HN LEU 42 0.562 1.360 5.215 979 HA LEU 42 HA LEU 42 0.552 -1.540 5.130 980 HB2 LEU 42 HB2 LEU 42 -1.549 0.467 4.448 981 HB3 LEU 42 HB1 LEU 42 -1.667 -1.206 3.933 982 HG LEU 42 HG LEU 42 -1.456 -1.717 6.446 983 HD11 LEU 42 HD11 LEU 42 -2.339 1.152 6.594 984 HD12 LEU 42 HD12 LEU 42 -0.828 0.484 7.213 985 HD13 LEU 42 HD13 LEU 42 -2.366 -0.011 7.920 986 HD21 LEU 42 HD21 LEU 42 -3.322 -2.106 5.061 987 HD22 LEU 42 HD22 LEU 42 -3.909 -0.449 5.285 988 HD23 LEU 42 HD23 LEU 42 -3.864 -1.578 6.660 989 H ILE 43 HN ILE 43 0.543 -2.607 3.275 990 HA ILE 43 HA ILE 43 1.371 -1.089 0.893 991 HB ILE 43 HB ILE 43 2.298 -3.875 1.581 992 HG12 ILE 43 HG12 ILE 43 3.202 -2.298 3.238 993 HG13 ILE 43 HG11 ILE 43 4.475 -2.999 2.228 994 HG21 ILE 43 HG21 ILE 43 2.307 -3.346 -0.762 995 HG22 ILE 43 HG22 ILE 43 3.963 -3.513 -0.163 996 HG23 ILE 43 HG23 ILE 43 3.287 -1.908 -0.458 997 HD11 ILE 43 HD11 ILE 43 4.880 -0.640 2.660 998 HD12 ILE 43 HD12 ILE 43 3.294 -0.229 2.006 999 HD13 ILE 43 HD13 ILE 43 4.542 -0.901 0.949 1000 H ILE 44 HN ILE 44 0.318 -1.702 -0.893 1001 HA ILE 44 HA ILE 44 -1.599 -3.884 -0.586 1002 HB ILE 44 HB ILE 44 -1.881 -1.348 -2.201 1003 HG12 ILE 44 HG12 ILE 44 -2.399 -1.055 0.158 1004 HG13 ILE 44 HG11 ILE 44 -3.870 -0.935 -0.796 1005 HG21 ILE 44 HG21 ILE 44 -3.762 -3.712 -2.152 1006 HG22 ILE 44 HG22 ILE 44 -2.782 -3.184 -3.520 1007 HG23 ILE 44 HG23 ILE 44 -4.091 -2.161 -2.927 1008 HD11 ILE 44 HD11 ILE 44 -2.978 -3.242 0.930 1009 HD12 ILE 44 HD12 ILE 44 -4.344 -3.316 -0.170 1010 HD13 ILE 44 HD13 ILE 44 -4.368 -2.178 1.176 1011 H GLU 45 HN GLU 45 -0.887 -5.540 -1.492 1012 HA GLU 45 HA GLU 45 0.121 -5.475 -4.242 1013 HB2 GLU 45 HB2 GLU 45 1.952 -5.878 -2.550 1014 HB3 GLU 45 HB1 GLU 45 1.018 -7.201 -1.887 1015 HG2 GLU 45 HG2 GLU 45 2.781 -8.097 -3.183 1016 HG3 GLU 45 HG1 GLU 45 1.298 -8.391 -4.068 1017 HA PRO 46 HA PRO 46 -3.340 -8.128 -4.026 1018 HB2 PRO 46 HB2 PRO 46 -3.300 -8.985 -6.714 1019 HB3 PRO 46 HB1 PRO 46 -4.167 -7.595 -6.052 1020 HG2 PRO 46 HG2 PRO 46 -1.980 -7.613 -7.753 1021 HG3 PRO 46 HG1 PRO 46 -2.698 -6.184 -6.945 1022 HD2 PRO 46 HD2 PRO 46 -0.321 -7.834 -6.240 1023 HD3 PRO 46 HD1 PRO 46 -0.510 -6.133 -5.873 1024 H VAL 47 HN VAL 47 -3.870 -10.488 -4.639 1025 HA VAL 47 HA VAL 47 -1.382 -11.978 -4.345 1026 HB VAL 47 HB VAL 47 -4.161 -13.094 -4.063 1027 HG11 VAL 47 HG11 VAL 47 -1.491 -14.188 -3.309 1028 HG12 VAL 47 HG12 VAL 47 -2.448 -14.724 -4.714 1029 HG13 VAL 47 HG13 VAL 47 -3.031 -15.019 -3.057 1030 HG21 VAL 47 HG21 VAL 47 -3.575 -13.282 -1.615 1031 HG22 VAL 47 HG22 VAL 47 -3.870 -11.670 -2.225 1032 HG23 VAL 47 HG23 VAL 47 -2.195 -12.239 -1.975 1033 H ARG 48 HN ARG 48 -0.674 -12.010 -6.223 1034 HA ARG 48 HA ARG 48 -2.301 -12.753 -8.509 1035 HB2 ARG 48 HB2 ARG 48 0.643 -12.130 -8.362 1036 HB3 ARG 48 HB1 ARG 48 -0.286 -12.378 -9.822 1037 HG2 ARG 48 HG2 ARG 48 -1.598 -10.319 -9.210 1038 HG3 ARG 48 HG1 ARG 48 -0.426 -10.059 -7.908 1039 HD2 ARG 48 HD2 ARG 48 1.385 -10.172 -9.594 1040 HD3 ARG 48 HD1 ARG 48 0.156 -10.268 -10.847 1041 HE ARG 48 HE ARG 48 0.370 -7.942 -9.039 1042 HH11 ARG 48 HH11 ARG 48 0.053 -9.225 -12.355 1043 HH12 ARG 48 HH12 ARG 48 0.130 -7.696 -13.075 1044 HH21 ARG 48 HH21 ARG 48 0.503 -5.891 -10.066 1045 HH22 ARG 48 HH22 ARG 48 0.430 -5.750 -11.765 1046 H LYS 49 HN LYS 49 -2.235 -14.824 -9.344 1047 HA LYS 49 HA LYS 49 -0.132 -16.443 -8.445 1048 HB2 LYS 49 HB2 LYS 49 -1.704 -18.229 -8.039 1049 HB3 LYS 49 HB1 LYS 49 -1.893 -16.935 -6.876 1050 HG2 LYS 49 HG2 LYS 49 -4.102 -17.594 -7.330 1051 HG3 LYS 49 HG1 LYS 49 -3.888 -16.209 -8.395 1052 HD2 LYS 49 HD2 LYS 49 -5.019 -17.997 -9.593 1053 HD3 LYS 49 HD1 LYS 49 -3.403 -17.765 -10.262 1054 HE2 LYS 49 HE2 LYS 49 -2.594 -19.679 -8.926 1055 HE3 LYS 49 HE1 LYS 49 -4.226 -19.911 -8.303 1056 HZ1 LYS 49 HZ1 LYS 49 -3.793 -21.437 -10.069 1057 HZ2 LYS 49 HZ2 LYS 49 -3.284 -20.204 -11.091 1058 HZ3 LYS 49 HZ3 LYS 49 -4.918 -20.308 -10.637 1059 H GLU 50 HN GLU 50 0.390 -17.850 -9.892 1060 HA GLU 50 HA GLU 50 -0.804 -17.524 -12.540 1061 HB2 GLU 50 HB2 GLU 50 1.915 -18.610 -11.745 1062 HB3 GLU 50 HB1 GLU 50 1.320 -18.564 -13.391 1063 HG2 GLU 50 HG2 GLU 50 2.831 -16.738 -13.122 1064 HG3 GLU 50 HG1 GLU 50 1.214 -16.060 -13.202 Start of MODEL 11 1 H1 ASN -16 HT1 ASN -16 12.228 -25.069 -20.929 2 H2 ASN -16 HT2 ASN -16 10.624 -24.828 -21.369 3 H3 ASN -16 HT3 ASN -16 11.844 -24.571 -22.499 4 HA ASN -16 HA ASN -16 10.612 -26.603 -22.860 5 HB2 ASN -16 HB2 ASN -16 13.520 -27.076 -22.063 6 HB3 ASN -16 HB1 ASN -16 12.554 -28.112 -23.087 7 HD21 ASN -16 HD21 ASN -16 14.166 -27.822 -24.684 8 HD22 ASN -16 HD22 ASN -16 14.175 -26.410 -25.670 9 H HIS -15 HN HIS -15 12.808 -27.198 -20.080 10 HA HIS -15 HA HIS -15 10.831 -29.036 -19.103 11 HB2 HIS -15 HB2 HIS -15 12.472 -29.605 -17.303 12 HB3 HIS -15 HB1 HIS -15 13.151 -29.798 -18.899 13 HD1 HIS -15 HD1 HIS -15 15.291 -28.414 -19.422 14 HD2 HIS -15 HD2 HIS -15 13.564 -27.501 -15.751 15 HE1 HIS -15 HE1 HIS -15 16.974 -27.031 -18.179 16 H LYS -14 HN LYS -14 9.176 -28.251 -18.153 17 HA LYS -14 HA LYS -14 9.499 -25.769 -16.697 18 HB2 LYS -14 HB2 LYS -14 7.069 -25.527 -16.810 19 HB3 LYS -14 HB1 LYS -14 7.789 -25.705 -18.400 20 HG2 LYS -14 HG2 LYS -14 7.043 -27.969 -18.567 21 HG3 LYS -14 HG1 LYS -14 6.495 -27.961 -16.890 22 HD2 LYS -14 HD2 LYS -14 4.603 -27.709 -18.404 23 HD3 LYS -14 HD1 LYS -14 4.834 -26.250 -17.444 24 HE2 LYS -14 HE2 LYS -14 5.981 -25.198 -19.342 25 HE3 LYS -14 HE1 LYS -14 5.728 -26.655 -20.299 26 HZ1 LYS -14 HZ1 LYS -14 4.067 -25.013 -20.802 27 HZ2 LYS -14 HZ2 LYS -14 3.636 -24.871 -19.200 28 HZ3 LYS -14 HZ3 LYS -14 3.318 -26.310 -20.027 29 H VAL -13 HN VAL -13 8.532 -25.503 -14.668 30 HA VAL -13 HA VAL -13 8.107 -28.021 -13.291 31 HB VAL -13 HB VAL -13 8.707 -26.796 -11.161 32 HG11 VAL -13 HG11 VAL -13 11.132 -26.840 -11.563 33 HG12 VAL -13 HG12 VAL -13 10.831 -26.919 -13.299 34 HG13 VAL -13 HG13 VAL -13 10.320 -28.245 -12.250 35 HG21 VAL -13 HG21 VAL -13 8.337 -24.497 -11.950 36 HG22 VAL -13 HG22 VAL -13 9.695 -24.665 -13.064 37 HG23 VAL -13 HG23 VAL -13 9.973 -24.704 -11.326 38 H HIS -12 HN HIS -12 6.208 -28.395 -12.480 39 HA HIS -12 HA HIS -12 4.084 -26.465 -12.812 40 HB2 HIS -12 HB2 HIS -12 4.044 -29.237 -11.571 41 HB3 HIS -12 HB1 HIS -12 2.627 -28.243 -11.849 42 HD1 HIS -12 HD1 HIS -12 1.703 -30.224 -13.364 43 HD2 HIS -12 HD2 HIS -12 5.144 -28.380 -14.784 44 HE1 HIS -12 HE1 HIS -12 1.951 -30.955 -15.763 45 H HIS -11 HN HIS -11 6.096 -27.671 -10.362 46 HA HIS -11 HA HIS -11 4.948 -25.774 -8.469 47 HB2 HIS -11 HB2 HIS -11 6.196 -28.482 -7.953 48 HB3 HIS -11 HB1 HIS -11 6.061 -27.270 -6.692 49 HD1 HIS -11 HD1 HIS -11 3.816 -27.051 -5.537 50 HD2 HIS -11 HD2 HIS -11 3.722 -29.548 -8.857 51 HE1 HIS -11 HE1 HIS -11 1.579 -28.200 -5.479 52 H HIS -10 HN HIS -10 6.243 -24.084 -8.792 53 HA HIS -10 HA HIS -10 9.075 -24.496 -9.163 54 HB2 HIS -10 HB2 HIS -10 7.983 -22.707 -10.457 55 HB3 HIS -10 HB1 HIS -10 7.462 -21.928 -8.967 56 HD1 HIS -10 HD1 HIS -10 9.050 -20.173 -8.031 57 HD2 HIS -10 HD2 HIS -10 10.893 -22.685 -10.781 58 HE1 HIS -10 HE1 HIS -10 11.344 -19.234 -8.399 59 H HIS -9 HN HIS -9 7.196 -22.407 -6.999 60 HA HIS -9 HA HIS -9 7.563 -21.602 -4.969 61 HB2 HIS -9 HB2 HIS -9 8.645 -24.391 -4.375 62 HB3 HIS -9 HB1 HIS -9 8.163 -23.213 -3.164 63 HD1 HIS -9 HD1 HIS -9 5.686 -23.333 -2.434 64 HD2 HIS -9 HD2 HIS -9 6.451 -25.331 -6.001 65 HE1 HIS -9 HE1 HIS -9 3.559 -24.510 -3.051 66 H HIS -8 HN HIS -8 10.348 -23.647 -4.520 67 HA HIS -8 HA HIS -8 12.558 -23.354 -4.436 68 HB2 HIS -8 HB2 HIS -8 12.282 -22.748 -6.818 69 HB3 HIS -8 HB1 HIS -8 12.070 -21.069 -6.358 70 HD1 HIS -8 HD1 HIS -8 14.177 -19.721 -6.659 71 HD2 HIS -8 HD2 HIS -8 14.948 -23.724 -5.830 72 HE1 HIS -8 HE1 HIS -8 16.643 -19.993 -6.813 73 H HIS -7 HN HIS -7 11.203 -20.115 -4.434 74 HA HIS -7 HA HIS -7 13.051 -19.316 -2.313 75 HB2 HIS -7 HB2 HIS -7 11.052 -17.615 -3.843 76 HB3 HIS -7 HB1 HIS -7 12.323 -17.040 -2.781 77 HD1 HIS -7 HD1 HIS -7 14.702 -16.760 -3.842 78 HD2 HIS -7 HD2 HIS -7 11.876 -18.469 -6.372 79 HE1 HIS -7 HE1 HIS -7 15.728 -16.769 -6.127 80 H MET -6 HN MET -6 12.142 -18.399 -0.401 81 HA MET -6 HA MET -6 9.641 -19.579 0.332 82 HB2 MET -6 HB2 MET -6 11.461 -17.717 1.865 83 HB3 MET -6 HB1 MET -6 9.988 -18.401 2.529 84 HG2 MET -6 HG2 MET -6 12.398 -19.940 1.586 85 HG3 MET -6 HG1 MET -6 11.941 -19.640 3.260 86 HE1 MET -6 HE1 MET -6 9.816 -20.716 4.439 87 HE2 MET -6 HE2 MET -6 8.660 -21.758 3.615 88 HE3 MET -6 HE3 MET -6 8.760 -20.054 3.187 89 H SER -5 HN SER -5 8.390 -18.638 -1.227 90 HA SER -5 HA SER -5 7.598 -15.834 -0.756 91 HB2 SER -5 HB2 SER -5 6.969 -17.570 -3.128 92 HB3 SER -5 HB1 SER -5 6.827 -15.815 -2.975 93 HG SER -5 HG SER -5 9.225 -15.952 -2.559 94 H ASP -4 HN ASP -4 6.717 -18.983 -0.182 95 HA ASP -4 HA ASP -4 3.897 -18.871 -0.719 96 HB2 ASP -4 HB2 ASP -4 5.168 -20.990 -0.716 97 HB3 ASP -4 HB1 ASP -4 5.477 -20.785 1.003 98 H ASP -3 HN ASP -3 5.987 -18.377 1.880 99 HA ASP -3 HA ASP -3 3.949 -18.094 3.921 100 HB2 ASP -3 HB2 ASP -3 5.876 -17.673 5.413 101 HB3 ASP -3 HB1 ASP -3 6.069 -19.165 4.499 102 H ASP -2 HN ASP -2 4.997 -16.214 1.511 103 HA ASP -2 HA ASP -2 5.308 -13.702 2.822 104 HB2 ASP -2 HB2 ASP -2 6.311 -13.921 0.651 105 HB3 ASP -2 HB1 ASP -2 4.775 -14.388 -0.073 106 H ASP -1 HN ASP -1 2.636 -15.561 1.817 107 HA ASP -1 HA ASP -1 0.689 -13.462 1.995 108 HB2 ASP -1 HB2 ASP -1 0.159 -15.454 0.671 109 HB3 ASP -1 HB1 ASP -1 0.453 -16.487 2.056 110 H LYS 0 HN LYS 0 1.170 -12.431 3.868 111 HA LYS 0 HA LYS 0 0.798 -13.936 6.398 112 HB2 LYS 0 HB2 LYS 0 2.703 -12.901 7.338 113 HB3 LYS 0 HB1 LYS 0 3.198 -13.430 5.738 114 HG2 LYS 0 HG2 LYS 0 2.761 -11.059 4.942 115 HG3 LYS 0 HG1 LYS 0 2.577 -10.614 6.639 116 HD2 LYS 0 HD2 LYS 0 4.799 -10.116 6.242 117 HD3 LYS 0 HD1 LYS 0 4.923 -11.769 6.845 118 HE2 LYS 0 HE2 LYS 0 6.287 -11.606 4.903 119 HE3 LYS 0 HE1 LYS 0 4.860 -12.549 4.474 120 HZ1 LYS 0 HZ1 LYS 0 3.917 -10.378 3.541 121 HZ2 LYS 0 HZ2 LYS 0 5.223 -11.006 2.706 122 HZ3 LYS 0 HZ3 LYS 0 5.452 -9.721 3.759 123 H GLY 1 HN GLY 1 -0.287 -11.315 4.533 124 HA2 GLY 1 HA2 GLY 1 -0.602 -9.519 6.796 125 HA3 GLY 1 HA1 GLY 1 -0.874 -9.130 5.104 126 H ILE 2 HN ILE 2 -2.831 -8.240 5.664 127 HA ILE 2 HA ILE 2 -4.876 -9.930 6.813 128 HB ILE 2 HB ILE 2 -5.285 -7.234 5.438 129 HG12 ILE 2 HG12 ILE 2 -3.671 -6.968 7.291 130 HG13 ILE 2 HG11 ILE 2 -5.204 -6.198 7.668 131 HG21 ILE 2 HG21 ILE 2 -7.332 -7.130 6.763 132 HG22 ILE 2 HG22 ILE 2 -6.981 -8.729 7.414 133 HG23 ILE 2 HG23 ILE 2 -7.304 -8.530 5.691 134 HD11 ILE 2 HD11 ILE 2 -4.297 -7.335 9.605 135 HD12 ILE 2 HD12 ILE 2 -4.237 -8.857 8.718 136 HD13 ILE 2 HD13 ILE 2 -5.793 -8.115 9.092 137 H HIS 3 HN HIS 3 -5.939 -11.354 5.684 138 HA HIS 3 HA HIS 3 -5.526 -11.453 2.808 139 HB2 HIS 3 HB2 HIS 3 -7.049 -13.514 4.435 140 HB3 HIS 3 HB1 HIS 3 -6.223 -13.745 2.905 141 HD1 HIS 3 HD1 HIS 3 -3.455 -14.073 3.087 142 HD2 HIS 3 HD2 HIS 3 -5.575 -13.929 6.691 143 HE1 HIS 3 HE1 HIS 3 -1.899 -14.813 4.854 144 H SER 4 HN SER 4 -6.847 -9.762 2.215 145 HA SER 4 HA SER 4 -9.699 -10.011 2.828 146 HB2 SER 4 HB2 SER 4 -7.858 -7.782 2.390 147 HB3 SER 4 HB1 SER 4 -9.561 -7.484 2.056 148 HG SER 4 HG SER 4 -8.872 -8.750 4.466 149 H SER 5 HN SER 5 -10.704 -8.326 0.889 150 HA SER 5 HA SER 5 -9.799 -9.268 -1.641 151 HB2 SER 5 HB2 SER 5 -11.191 -11.121 -0.859 152 HB3 SER 5 HB1 SER 5 -12.489 -10.007 -0.460 153 HG SER 5 HG SER 5 -11.401 -10.342 -3.037 154 H VAL 6 HN VAL 6 -10.629 -7.977 -3.258 155 HA VAL 6 HA VAL 6 -11.603 -5.354 -2.459 156 HB VAL 6 HB VAL 6 -11.138 -6.463 -5.241 157 HG11 VAL 6 HG11 VAL 6 -12.529 -4.476 -5.216 158 HG12 VAL 6 HG12 VAL 6 -10.952 -4.129 -5.921 159 HG13 VAL 6 HG13 VAL 6 -11.316 -3.613 -4.271 160 HG21 VAL 6 HG21 VAL 6 -9.138 -6.643 -4.015 161 HG22 VAL 6 HG22 VAL 6 -9.314 -4.988 -3.411 162 HG23 VAL 6 HG23 VAL 6 -8.977 -5.275 -5.136 163 H LYS 7 HN LYS 7 -13.736 -4.867 -2.485 164 HA LYS 7 HA LYS 7 -15.418 -6.697 -4.035 165 HB2 LYS 7 HB2 LYS 7 -16.084 -5.397 -1.406 166 HB3 LYS 7 HB1 LYS 7 -17.179 -6.441 -2.352 167 HG2 LYS 7 HG2 LYS 7 -14.641 -7.193 -0.916 168 HG3 LYS 7 HG1 LYS 7 -16.279 -7.579 -0.419 169 HD2 LYS 7 HD2 LYS 7 -16.504 -8.904 -2.554 170 HD3 LYS 7 HD1 LYS 7 -14.774 -8.639 -2.808 171 HE2 LYS 7 HE2 LYS 7 -14.435 -9.584 -0.476 172 HE3 LYS 7 HE1 LYS 7 -16.115 -10.086 -0.546 173 HZ1 LYS 7 HZ1 LYS 7 -14.761 -11.899 -1.177 174 HZ2 LYS 7 HZ2 LYS 7 -13.889 -11.002 -2.260 175 HZ3 LYS 7 HZ3 LYS 7 -15.501 -11.396 -2.611 176 H ARG 8 HN ARG 8 -17.554 -5.610 -4.572 177 HA ARG 8 HA ARG 8 -16.853 -2.984 -5.636 178 HB2 ARG 8 HB2 ARG 8 -17.632 -4.760 -7.138 179 HB3 ARG 8 HB1 ARG 8 -19.202 -4.689 -6.329 180 HG2 ARG 8 HG2 ARG 8 -19.405 -2.349 -6.999 181 HG3 ARG 8 HG1 ARG 8 -17.850 -2.465 -7.831 182 HD2 ARG 8 HD2 ARG 8 -20.144 -4.210 -8.267 183 HD3 ARG 8 HD1 ARG 8 -19.888 -2.783 -9.289 184 HE ARG 8 HE ARG 8 -17.730 -3.873 -9.915 185 HH11 ARG 8 HH11 ARG 8 -20.365 -5.949 -8.785 186 HH12 ARG 8 HH12 ARG 8 -19.886 -7.321 -9.658 187 HH21 ARG 8 HH21 ARG 8 -17.044 -5.761 -11.144 188 HH22 ARG 8 HH22 ARG 8 -17.897 -7.223 -11.031 189 H TRP 9 HN TRP 9 -17.473 -1.293 -4.535 190 HA TRP 9 HA TRP 9 -19.968 -1.306 -2.986 191 HB2 TRP 9 HB2 TRP 9 -17.837 -0.712 -1.811 192 HB3 TRP 9 HB1 TRP 9 -17.610 0.583 -2.934 193 HD1 TRP 9 HD1 TRP 9 -21.161 0.327 -1.677 194 HE1 TRP 9 HE1 TRP 9 -21.571 2.134 0.054 195 HE3 TRP 9 HE3 TRP 9 -16.334 2.122 -0.986 196 HZ2 TRP 9 HZ2 TRP 9 -20.222 4.068 1.416 197 HZ3 TRP 9 HZ3 TRP 9 -16.055 3.958 0.523 198 HH2 TRP 9 HH2 TRP 9 -18.015 4.916 1.745 199 H GLY 10 HN GLY 10 -21.436 -0.879 -4.592 200 HA2 GLY 10 HA2 GLY 10 -22.631 0.435 -6.045 201 HA3 GLY 10 HA1 GLY 10 -21.493 1.747 -5.717 202 H ASN 11 HN ASN 11 -20.501 2.371 -7.476 203 HA ASN 11 HA ASN 11 -19.716 0.353 -9.488 204 HB2 ASN 11 HB2 ASN 11 -21.123 2.354 -10.171 205 HB3 ASN 11 HB1 ASN 11 -19.794 3.390 -9.691 206 HD21 ASN 11 HD21 ASN 11 -19.647 0.319 -11.516 207 HD22 ASN 11 HD22 ASN 11 -18.982 1.042 -12.924 208 H SER 12 HN SER 12 -18.230 0.716 -6.882 209 HA SER 12 HA SER 12 -15.760 1.766 -7.925 210 HB2 SER 12 HB2 SER 12 -16.785 3.574 -6.631 211 HB3 SER 12 HB1 SER 12 -17.077 2.451 -5.309 212 HG SER 12 HG SER 12 -14.489 2.994 -6.314 213 HA PRO 13 HA PRO 13 -14.508 -2.116 -5.924 214 HB2 PRO 13 HB2 PRO 13 -11.823 -1.701 -6.423 215 HB3 PRO 13 HB1 PRO 13 -12.922 -2.495 -7.551 216 HG2 PRO 13 HG2 PRO 13 -11.894 0.290 -7.545 217 HG3 PRO 13 HG1 PRO 13 -12.267 -0.768 -8.913 218 HD2 PRO 13 HD2 PRO 13 -13.854 1.273 -8.102 219 HD3 PRO 13 HD1 PRO 13 -14.488 -0.174 -8.907 220 H ALA 14 HN ALA 14 -14.319 -2.170 -3.784 221 HA ALA 14 HA ALA 14 -12.831 -0.028 -2.478 222 HB1 ALA 14 HB1 ALA 14 -14.442 -0.055 -0.714 223 HB2 ALA 14 HB2 ALA 14 -15.335 -1.362 -1.490 224 HB3 ALA 14 HB3 ALA 14 -15.260 0.228 -2.247 225 H VAL 15 HN VAL 15 -11.558 -0.566 -0.828 226 HA VAL 15 HA VAL 15 -11.208 -3.417 -0.240 227 HB VAL 15 HB VAL 15 -9.185 -1.150 -0.030 228 HG11 VAL 15 HG11 VAL 15 -7.549 -2.871 0.612 229 HG12 VAL 15 HG12 VAL 15 -8.824 -4.086 0.610 230 HG13 VAL 15 HG13 VAL 15 -8.862 -2.775 1.789 231 HG21 VAL 15 HG21 VAL 15 -7.970 -2.387 -1.754 232 HG22 VAL 15 HG22 VAL 15 -9.577 -1.913 -2.309 233 HG23 VAL 15 HG23 VAL 15 -9.269 -3.576 -1.810 234 H ARG 16 HN ARG 16 -11.648 -4.057 1.782 235 HA ARG 16 HA ARG 16 -12.615 -2.166 3.678 236 HB2 ARG 16 HB2 ARG 16 -12.345 -5.139 3.609 237 HB3 ARG 16 HB1 ARG 16 -12.930 -4.297 5.059 238 HG2 ARG 16 HG2 ARG 16 -14.705 -3.388 3.711 239 HG3 ARG 16 HG1 ARG 16 -14.165 -4.280 2.302 240 HD2 ARG 16 HD2 ARG 16 -14.439 -6.368 3.591 241 HD3 ARG 16 HD1 ARG 16 -15.080 -5.413 4.927 242 HE ARG 16 HE ARG 16 -16.379 -5.255 2.315 243 HH11 ARG 16 HH11 ARG 16 -16.560 -6.443 5.666 244 HH12 ARG 16 HH12 ARG 16 -18.238 -6.726 5.591 245 HH21 ARG 16 HH21 ARG 16 -18.682 -5.689 2.268 246 HH22 ARG 16 HH22 ARG 16 -19.453 -6.305 3.652 247 H ILE 17 HN ILE 17 -11.509 -1.250 5.218 248 HA ILE 17 HA ILE 17 -8.791 -2.142 5.811 249 HB ILE 17 HB ILE 17 -10.274 0.413 6.542 250 HG12 ILE 17 HG12 ILE 17 -9.784 0.293 4.185 251 HG13 ILE 17 HG11 ILE 17 -8.799 1.540 4.937 252 HG21 ILE 17 HG21 ILE 17 -7.368 -0.246 7.006 253 HG22 ILE 17 HG22 ILE 17 -8.609 -0.076 8.247 254 HG23 ILE 17 HG23 ILE 17 -8.120 1.323 7.287 255 HD11 ILE 17 HD11 ILE 17 -6.878 -0.006 4.870 256 HD12 ILE 17 HD12 ILE 17 -7.557 0.331 3.276 257 HD13 ILE 17 HD13 ILE 17 -7.901 -1.207 4.069 258 HA PRO 18 HA PRO 18 -10.464 -3.696 9.700 259 HB2 PRO 18 HB2 PRO 18 -7.740 -3.750 10.762 260 HB3 PRO 18 HB1 PRO 18 -8.811 -5.096 10.392 261 HG2 PRO 18 HG2 PRO 18 -6.570 -4.543 8.937 262 HG3 PRO 18 HG1 PRO 18 -7.999 -5.358 8.280 263 HD2 PRO 18 HD2 PRO 18 -7.137 -2.514 7.986 264 HD3 PRO 18 HD1 PRO 18 -7.906 -3.586 6.802 265 H ALA 19 HN ALA 19 -11.140 -2.568 11.414 266 HA ALA 19 HA ALA 19 -10.484 0.166 11.696 267 HB1 ALA 19 HB1 ALA 19 -11.977 -1.575 13.658 268 HB2 ALA 19 HB2 ALA 19 -12.687 -0.740 12.276 269 HB3 ALA 19 HB3 ALA 19 -11.986 0.190 13.598 270 H THR 20 HN THR 20 -9.246 -2.695 13.194 271 HA THR 20 HA THR 20 -7.836 -1.744 15.355 272 HB THR 20 HB THR 20 -6.813 -3.742 13.350 273 HG1 THR 20 HG1 THR 20 -8.346 -4.975 15.101 274 HG21 THR 20 HG21 THR 20 -6.051 -4.909 15.359 275 HG22 THR 20 HG22 THR 20 -6.795 -3.674 16.379 276 HG23 THR 20 HG23 THR 20 -5.424 -3.260 15.343 277 H LEU 21 HN LEU 21 -7.073 -1.747 11.889 278 HA LEU 21 HA LEU 21 -4.437 -0.678 12.228 279 HB2 LEU 21 HB2 LEU 21 -6.111 -1.476 9.926 280 HB3 LEU 21 HB1 LEU 21 -4.763 -0.395 9.649 281 HG LEU 21 HG LEU 21 -4.378 -2.755 9.242 282 HD11 LEU 21 HD11 LEU 21 -2.664 -1.483 11.426 283 HD12 LEU 21 HD12 LEU 21 -2.512 -1.153 9.706 284 HD13 LEU 21 HD13 LEU 21 -2.100 -2.750 10.334 285 HD21 LEU 21 HD21 LEU 21 -4.548 -2.915 12.215 286 HD22 LEU 21 HD22 LEU 21 -3.834 -4.209 11.232 287 HD23 LEU 21 HD23 LEU 21 -5.554 -3.794 11.062 288 H MET 22 HN MET 22 -7.507 0.434 11.326 289 HA MET 22 HA MET 22 -6.941 3.097 10.622 290 HB2 MET 22 HB2 MET 22 -9.191 2.249 12.442 291 HB3 MET 22 HB1 MET 22 -9.012 3.838 11.728 292 HG2 MET 22 HG2 MET 22 -9.312 2.839 9.505 293 HG3 MET 22 HG1 MET 22 -9.518 1.266 10.261 294 HE1 MET 22 HE1 MET 22 -11.021 4.954 10.004 295 HE2 MET 22 HE2 MET 22 -10.733 4.704 11.727 296 HE3 MET 22 HE3 MET 22 -12.369 4.799 11.132 297 H GLN 23 HN GLN 23 -7.402 1.807 13.808 298 HA GLN 23 HA GLN 23 -6.746 4.125 15.243 299 HB2 GLN 23 HB2 GLN 23 -6.510 1.233 16.013 300 HB3 GLN 23 HB1 GLN 23 -6.432 2.594 17.125 301 HG2 GLN 23 HG2 GLN 23 -8.659 3.199 16.607 302 HG3 GLN 23 HG1 GLN 23 -8.772 1.952 15.376 303 HE21 GLN 23 HE21 GLN 23 -8.941 -0.139 15.958 304 HE22 GLN 23 HE22 GLN 23 -9.355 -0.690 17.542 305 H ALA 24 HN ALA 24 -4.885 1.546 13.905 306 HA ALA 24 HA ALA 24 -2.488 2.099 15.388 307 HB1 ALA 24 HB1 ALA 24 -2.921 -0.122 14.420 308 HB2 ALA 24 HB2 ALA 24 -1.379 0.543 13.876 309 HB3 ALA 24 HB3 ALA 24 -2.778 0.567 12.802 310 H LEU 25 HN LEU 25 -3.765 3.107 12.323 311 HA LEU 25 HA LEU 25 -1.340 4.527 11.651 312 HB2 LEU 25 HB2 LEU 25 -3.949 4.286 10.217 313 HB3 LEU 25 HB1 LEU 25 -2.443 4.898 9.550 314 HG LEU 25 HG LEU 25 -2.968 2.071 10.459 315 HD11 LEU 25 HD11 LEU 25 -2.669 3.249 7.748 316 HD12 LEU 25 HD12 LEU 25 -4.125 2.563 8.472 317 HD13 LEU 25 HD13 LEU 25 -2.741 1.519 8.101 318 HD21 LEU 25 HD21 LEU 25 -0.778 1.541 9.461 319 HD22 LEU 25 HD22 LEU 25 -0.643 2.619 10.841 320 HD23 LEU 25 HD23 LEU 25 -0.485 3.262 9.208 321 H ASN 26 HN ASN 26 -4.065 5.004 13.440 322 HA ASN 26 HA ASN 26 -5.084 6.661 14.514 323 HB2 ASN 26 HB2 ASN 26 -2.792 8.392 13.559 324 HB3 ASN 26 HB1 ASN 26 -4.009 8.916 14.709 325 HD21 ASN 26 HD21 ASN 26 -1.183 7.087 14.206 326 HD22 ASN 26 HD22 ASN 26 -0.913 6.609 15.843 327 H LEU 27 HN LEU 27 -5.634 6.185 11.607 328 HA LEU 27 HA LEU 27 -6.520 8.809 10.840 329 HB2 LEU 27 HB2 LEU 27 -6.859 7.878 8.646 330 HB3 LEU 27 HB1 LEU 27 -5.221 7.611 9.196 331 HG LEU 27 HG LEU 27 -6.324 5.236 9.831 332 HD11 LEU 27 HD11 LEU 27 -7.774 6.197 7.409 333 HD12 LEU 27 HD12 LEU 27 -8.520 5.810 8.970 334 HD13 LEU 27 HD13 LEU 27 -7.751 4.534 7.987 335 HD21 LEU 27 HD21 LEU 27 -5.440 4.430 7.656 336 HD22 LEU 27 HD22 LEU 27 -4.341 5.423 8.585 337 HD23 LEU 27 HD23 LEU 27 -5.178 6.116 7.191 338 H ASN 28 HN ASN 28 -8.750 8.781 9.639 339 HA ASN 28 HA ASN 28 -10.709 7.332 11.331 340 HB2 ASN 28 HB2 ASN 28 -10.835 10.283 10.637 341 HB3 ASN 28 HB1 ASN 28 -12.059 9.388 11.512 342 HD21 ASN 28 HD21 ASN 28 -9.059 11.027 11.653 343 HD22 ASN 28 HD22 ASN 28 -8.807 10.912 13.349 344 H ILE 29 HN ILE 29 -13.010 7.951 10.434 345 HA ILE 29 HA ILE 29 -13.129 7.336 7.622 346 HB ILE 29 HB ILE 29 -15.293 8.025 9.645 347 HG12 ILE 29 HG12 ILE 29 -14.462 5.779 9.945 348 HG13 ILE 29 HG11 ILE 29 -16.072 5.711 9.270 349 HG21 ILE 29 HG21 ILE 29 -17.021 7.556 8.007 350 HG22 ILE 29 HG22 ILE 29 -15.792 7.301 6.767 351 HG23 ILE 29 HG23 ILE 29 -16.002 8.897 7.481 352 HD11 ILE 29 HD11 ILE 29 -15.108 5.293 7.049 353 HD12 ILE 29 HD12 ILE 29 -14.691 4.061 8.236 354 HD13 ILE 29 HD13 ILE 29 -13.497 5.271 7.772 355 H ASP 30 HN ASP 30 -13.590 8.686 6.003 356 HA ASP 30 HA ASP 30 -13.849 10.525 4.782 357 HB2 ASP 30 HB2 ASP 30 -15.796 11.011 6.358 358 HB3 ASP 30 HB1 ASP 30 -14.696 11.993 7.309 359 H ASP 31 HN ASP 31 -11.414 9.762 6.316 360 HA ASP 31 HA ASP 31 -10.124 12.362 6.495 361 HB2 ASP 31 HB2 ASP 31 -9.953 10.422 8.264 362 HB3 ASP 31 HB1 ASP 31 -8.825 9.717 7.111 363 H GLU 32 HN GLU 32 -8.472 12.777 5.105 364 HA GLU 32 HA GLU 32 -8.712 11.490 2.553 365 HB2 GLU 32 HB2 GLU 32 -8.732 13.873 2.659 366 HB3 GLU 32 HB1 GLU 32 -7.260 13.907 3.591 367 HG2 GLU 32 HG2 GLU 32 -6.013 13.144 1.691 368 HG3 GLU 32 HG1 GLU 32 -7.501 13.016 0.742 369 H VAL 33 HN VAL 33 -7.172 10.238 1.591 370 HA VAL 33 HA VAL 33 -4.691 9.885 3.023 371 HB VAL 33 HB VAL 33 -4.685 7.492 2.999 372 HG11 VAL 33 HG11 VAL 33 -6.539 6.891 4.374 373 HG12 VAL 33 HG12 VAL 33 -7.380 8.328 3.772 374 HG13 VAL 33 HG13 VAL 33 -5.907 8.521 4.779 375 HG21 VAL 33 HG21 VAL 33 -6.499 6.110 2.145 376 HG22 VAL 33 HG22 VAL 33 -5.732 7.052 0.875 377 HG23 VAL 33 HG23 VAL 33 -7.310 7.558 1.549 378 H LYS 34 HN LYS 34 -2.995 9.141 1.805 379 HA LYS 34 HA LYS 34 -3.299 9.622 -1.063 380 HB2 LYS 34 HB2 LYS 34 -0.911 9.025 0.564 381 HB3 LYS 34 HB1 LYS 34 -0.862 9.407 -1.143 382 HG2 LYS 34 HG2 LYS 34 -1.748 11.699 -0.491 383 HG3 LYS 34 HG1 LYS 34 -1.409 11.234 1.188 384 HD2 LYS 34 HD2 LYS 34 0.599 11.296 -1.078 385 HD3 LYS 34 HD1 LYS 34 0.493 12.437 0.268 386 HE2 LYS 34 HE2 LYS 34 1.233 10.858 1.824 387 HE3 LYS 34 HE1 LYS 34 0.823 9.508 0.783 388 HZ1 LYS 34 HZ1 LYS 34 2.672 10.127 -0.675 389 HZ2 LYS 34 HZ2 LYS 34 3.094 9.746 0.916 390 HZ3 LYS 34 HZ3 LYS 34 3.152 11.324 0.456 391 H ILE 35 HN ILE 35 -3.502 7.937 -2.339 392 HA ILE 35 HA ILE 35 -2.228 5.440 -1.520 393 HB ILE 35 HB ILE 35 -4.004 5.953 -3.968 394 HG12 ILE 35 HG12 ILE 35 -5.536 4.243 -2.880 395 HG13 ILE 35 HG11 ILE 35 -4.570 4.411 -1.424 396 HG21 ILE 35 HG21 ILE 35 -3.876 3.565 -4.386 397 HG22 ILE 35 HG22 ILE 35 -2.785 3.394 -3.008 398 HG23 ILE 35 HG23 ILE 35 -2.283 4.336 -4.415 399 HD11 ILE 35 HD11 ILE 35 -5.208 6.768 -1.310 400 HD12 ILE 35 HD12 ILE 35 -6.604 5.684 -1.286 401 HD13 ILE 35 HD13 ILE 35 -6.177 6.550 -2.769 402 H ASP 36 HN ASP 36 -0.143 5.676 -1.857 403 HA ASP 36 HA ASP 36 0.817 7.339 -4.102 404 HB2 ASP 36 HB2 ASP 36 1.552 7.352 -1.397 405 HB3 ASP 36 HB1 ASP 36 2.743 6.291 -2.095 406 H LEU 37 HN LEU 37 1.908 6.268 -5.879 407 HA LEU 37 HA LEU 37 1.957 3.480 -5.771 408 HB2 LEU 37 HB2 LEU 37 0.994 4.932 -7.618 409 HB3 LEU 37 HB1 LEU 37 2.649 5.459 -7.874 410 HG LEU 37 HG LEU 37 1.767 3.819 -9.537 411 HD11 LEU 37 HD11 LEU 37 4.083 4.197 -9.363 412 HD12 LEU 37 HD12 LEU 37 3.820 2.448 -9.597 413 HD13 LEU 37 HD13 LEU 37 4.184 3.119 -7.986 414 HD21 LEU 37 HD21 LEU 37 0.544 2.504 -7.959 415 HD22 LEU 37 HD22 LEU 37 2.057 1.894 -7.270 416 HD23 LEU 37 HD23 LEU 37 1.616 1.502 -8.943 417 H VAL 38 HN VAL 38 3.688 2.448 -5.623 418 HA VAL 38 HA VAL 38 6.375 3.495 -6.160 419 HB VAL 38 HB VAL 38 5.781 2.131 -3.506 420 HG11 VAL 38 HG11 VAL 38 8.312 3.364 -4.568 421 HG12 VAL 38 HG12 VAL 38 7.997 1.645 -4.321 422 HG13 VAL 38 HG13 VAL 38 8.103 2.737 -2.935 423 HG21 VAL 38 HG21 VAL 38 6.226 4.224 -2.361 424 HG22 VAL 38 HG22 VAL 38 4.933 4.487 -3.536 425 HG23 VAL 38 HG23 VAL 38 6.572 5.021 -3.889 426 H ASP 39 HN ASP 39 7.523 1.901 -7.203 427 HA ASP 39 HA ASP 39 8.169 -0.086 -8.096 428 HB2 ASP 39 HB2 ASP 39 7.131 -1.188 -5.486 429 HB3 ASP 39 HB1 ASP 39 7.941 -2.172 -6.692 430 H GLY 40 HN GLY 40 5.408 0.812 -8.517 431 HA2 GLY 40 HA2 GLY 40 3.604 0.072 -9.759 432 HA3 GLY 40 HA1 GLY 40 4.463 -1.447 -9.963 433 H LYS 41 HN LYS 41 3.930 -0.380 -6.710 434 HA LYS 41 HA LYS 41 1.543 -2.059 -6.507 435 HB2 LYS 41 HB2 LYS 41 2.314 -2.923 -4.357 436 HB3 LYS 41 HB1 LYS 41 3.555 -3.274 -5.559 437 HG2 LYS 41 HG2 LYS 41 4.350 -0.859 -4.485 438 HG3 LYS 41 HG1 LYS 41 3.606 -1.677 -3.134 439 HD2 LYS 41 HD2 LYS 41 5.036 -3.598 -3.368 440 HD3 LYS 41 HD1 LYS 41 5.753 -2.939 -4.840 441 HE2 LYS 41 HE2 LYS 41 6.538 -0.977 -3.467 442 HE3 LYS 41 HE1 LYS 41 5.978 -1.841 -2.042 443 HZ1 LYS 41 HZ1 LYS 41 8.096 -2.784 -3.916 444 HZ2 LYS 41 HZ2 LYS 41 7.566 -3.628 -2.566 445 HZ3 LYS 41 HZ3 LYS 41 8.336 -2.151 -2.390 446 H LEU 42 HN LEU 42 0.183 -1.373 -4.651 447 HA LEU 42 HA LEU 42 0.424 1.530 -4.458 448 HB2 LEU 42 HB2 LEU 42 -1.939 -0.224 -3.783 449 HB3 LEU 42 HB1 LEU 42 -1.915 1.521 -3.696 450 HG LEU 42 HG LEU 42 -1.441 -0.011 -6.167 451 HD11 LEU 42 HD11 LEU 42 -3.883 0.473 -6.715 452 HD12 LEU 42 HD12 LEU 42 -4.059 1.140 -5.093 453 HD13 LEU 42 HD13 LEU 42 -3.702 -0.573 -5.308 454 HD21 LEU 42 HD21 LEU 42 -0.755 2.290 -6.506 455 HD22 LEU 42 HD22 LEU 42 -2.217 2.863 -5.711 456 HD23 LEU 42 HD23 LEU 42 -2.324 2.093 -7.268 457 H ILE 43 HN ILE 43 0.718 2.530 -2.867 458 HA ILE 43 HA ILE 43 1.247 1.064 -0.364 459 HB ILE 43 HB ILE 43 2.400 3.709 -1.228 460 HG12 ILE 43 HG12 ILE 43 3.151 2.022 -2.763 461 HG13 ILE 43 HG11 ILE 43 4.490 2.547 -1.738 462 HG21 ILE 43 HG21 ILE 43 2.378 3.366 1.160 463 HG22 ILE 43 HG22 ILE 43 4.027 3.396 0.534 464 HG23 ILE 43 HG23 ILE 43 3.276 1.855 0.974 465 HD11 ILE 43 HD11 ILE 43 4.530 0.142 -2.154 466 HD12 ILE 43 HD12 ILE 43 2.923 -0.018 -1.463 467 HD13 ILE 43 HD13 ILE 43 4.281 0.502 -0.448 468 H ILE 44 HN ILE 44 0.278 1.792 1.438 469 HA ILE 44 HA ILE 44 -1.656 3.967 1.054 470 HB ILE 44 HB ILE 44 -1.750 1.659 2.994 471 HG12 ILE 44 HG12 ILE 44 -2.268 0.955 0.719 472 HG13 ILE 44 HG11 ILE 44 -3.713 0.880 1.720 473 HG21 ILE 44 HG21 ILE 44 -2.750 3.731 3.925 474 HG22 ILE 44 HG22 ILE 44 -3.938 2.455 3.701 475 HG23 ILE 44 HG23 ILE 44 -3.864 3.790 2.556 476 HD11 ILE 44 HD11 ILE 44 -4.465 3.005 0.729 477 HD12 ILE 44 HD12 ILE 44 -4.233 1.743 -0.477 478 HD13 ILE 44 HD13 ILE 44 -3.031 3.017 -0.299 479 H GLU 45 HN GLU 45 -0.860 5.720 1.814 480 HA GLU 45 HA GLU 45 0.335 5.671 4.436 481 HB2 GLU 45 HB2 GLU 45 2.164 5.871 2.965 482 HB3 GLU 45 HB1 GLU 45 1.348 7.015 1.920 483 HG2 GLU 45 HG2 GLU 45 1.633 8.724 3.647 484 HG3 GLU 45 HG1 GLU 45 2.354 7.519 4.722 485 HA PRO 46 HA PRO 46 -3.012 8.499 4.642 486 HB2 PRO 46 HB2 PRO 46 -2.607 9.054 7.412 487 HB3 PRO 46 HB1 PRO 46 -3.736 7.906 6.691 488 HG2 PRO 46 HG2 PRO 46 -1.575 7.313 8.190 489 HG3 PRO 46 HG1 PRO 46 -2.392 6.161 7.089 490 HD2 PRO 46 HD2 PRO 46 0.067 7.855 6.684 491 HD3 PRO 46 HD1 PRO 46 -0.110 6.201 6.121 492 H VAL 47 HN VAL 47 -3.461 10.680 5.577 493 HA VAL 47 HA VAL 47 -1.096 12.360 5.084 494 HB VAL 47 HB VAL 47 -3.927 13.349 4.917 495 HG11 VAL 47 HG11 VAL 47 -1.381 14.249 3.713 496 HG12 VAL 47 HG12 VAL 47 -2.145 14.951 5.168 497 HG13 VAL 47 HG13 VAL 47 -2.940 15.073 3.561 498 HG21 VAL 47 HG21 VAL 47 -2.273 12.202 2.700 499 HG22 VAL 47 HG22 VAL 47 -3.702 13.207 2.456 500 HG23 VAL 47 HG23 VAL 47 -3.860 11.652 3.292 501 H ARG 48 HN ARG 48 -0.326 12.856 6.939 502 HA ARG 48 HA ARG 48 -1.904 12.912 9.291 503 HB2 ARG 48 HB2 ARG 48 0.196 13.656 10.433 504 HB3 ARG 48 HB1 ARG 48 0.336 12.139 9.554 505 HG2 ARG 48 HG2 ARG 48 1.474 13.255 7.751 506 HG3 ARG 48 HG1 ARG 48 1.254 14.821 8.536 507 HD2 ARG 48 HD2 ARG 48 2.667 14.115 10.365 508 HD3 ARG 48 HD1 ARG 48 2.804 12.500 9.674 509 HE ARG 48 HE ARG 48 3.835 13.702 7.709 510 HH11 ARG 48 HH11 ARG 48 4.122 15.049 10.997 511 HH12 ARG 48 HH12 ARG 48 5.691 15.648 10.738 512 HH21 ARG 48 HH21 ARG 48 5.977 14.530 7.394 513 HH22 ARG 48 HH22 ARG 48 6.775 15.361 8.660 514 H LYS 49 HN LYS 49 -2.593 14.608 10.524 515 HA LYS 49 HA LYS 49 -2.763 17.101 9.092 516 HB2 LYS 49 HB2 LYS 49 -4.224 15.939 11.438 517 HB3 LYS 49 HB1 LYS 49 -4.235 17.678 11.200 518 HG2 LYS 49 HG2 LYS 49 -6.227 16.568 10.240 519 HG3 LYS 49 HG1 LYS 49 -5.280 17.426 9.031 520 HD2 LYS 49 HD2 LYS 49 -4.236 15.244 8.395 521 HD3 LYS 49 HD1 LYS 49 -5.310 14.445 9.528 522 HE2 LYS 49 HE2 LYS 49 -7.231 15.154 8.267 523 HE3 LYS 49 HE1 LYS 49 -6.234 16.172 7.230 524 HZ1 LYS 49 HZ1 LYS 49 -6.619 14.272 6.001 525 HZ2 LYS 49 HZ2 LYS 49 -6.442 13.222 7.289 526 HZ3 LYS 49 HZ3 LYS 49 -5.074 13.960 6.632 527 H GLU 50 HN GLU 50 -1.057 17.987 9.128 528 HA GLU 50 HA GLU 50 -0.082 19.424 11.399 529 HB2 GLU 50 HB2 GLU 50 1.639 17.350 10.017 530 HB3 GLU 50 HB1 GLU 50 2.333 18.716 10.861 531 HG2 GLU 50 HG2 GLU 50 1.222 17.918 12.936 532 HG3 GLU 50 HG1 GLU 50 0.675 16.498 12.043 533 H1 ASN -16 HT1 ASN -16 11.472 24.425 21.762 534 H2 ASN -16 HT2 ASN -16 12.303 24.186 23.189 535 H3 ASN -16 HT3 ASN -16 13.108 24.809 21.871 536 HA ASN -16 HA ASN -16 10.905 26.084 23.383 537 HB2 ASN -16 HB2 ASN -16 13.816 26.844 23.125 538 HB3 ASN -16 HB1 ASN -16 12.595 27.874 23.869 539 HD21 ASN -16 HD21 ASN -16 14.955 26.798 25.061 540 HD22 ASN -16 HD22 ASN -16 14.460 25.775 26.359 541 H HIS -15 HN HIS -15 13.234 26.604 20.662 542 HA HIS -15 HA HIS -15 11.392 28.624 19.810 543 HB2 HIS -15 HB2 HIS -15 13.045 29.217 18.035 544 HB3 HIS -15 HB1 HIS -15 13.720 29.333 19.647 545 HD1 HIS -15 HD1 HIS -15 15.916 28.013 20.035 546 HD2 HIS -15 HD2 HIS -15 14.012 27.043 16.466 547 HE1 HIS -15 HE1 HIS -15 17.528 26.605 18.748 548 H LYS -14 HN LYS -14 9.746 28.077 18.679 549 HA LYS -14 HA LYS -14 9.921 25.555 17.227 550 HB2 LYS -14 HB2 LYS -14 7.492 25.432 17.352 551 HB3 LYS -14 HB1 LYS -14 8.216 25.587 18.945 552 HG2 LYS -14 HG2 LYS -14 7.567 27.886 19.084 553 HG3 LYS -14 HG1 LYS -14 7.023 27.884 17.410 554 HD2 LYS -14 HD2 LYS -14 5.118 27.733 18.946 555 HD3 LYS -14 HD1 LYS -14 5.269 26.268 17.982 556 HE2 LYS -14 HE2 LYS -14 6.382 25.161 19.871 557 HE3 LYS -14 HE1 LYS -14 6.190 26.624 20.831 558 HZ1 LYS -14 HZ1 LYS -14 4.485 24.946 21.252 559 HZ2 LYS -14 HZ2 LYS -14 3.927 25.109 19.661 560 HZ3 LYS -14 HZ3 LYS -14 3.839 26.404 20.729 561 H VAL -13 HN VAL -13 9.130 25.347 15.190 562 HA VAL -13 HA VAL -13 8.733 27.852 13.796 563 HB VAL -13 HB VAL -13 9.386 26.630 11.685 564 HG11 VAL -13 HG11 VAL -13 11.802 26.634 12.153 565 HG12 VAL -13 HG12 VAL -13 11.453 26.702 13.881 566 HG13 VAL -13 HG13 VAL -13 10.992 28.045 12.836 567 HG21 VAL -13 HG21 VAL -13 8.959 24.327 12.463 568 HG22 VAL -13 HG22 VAL -13 10.312 24.474 13.591 569 HG23 VAL -13 HG23 VAL -13 10.605 24.518 11.860 570 H HIS -12 HN HIS -12 6.803 28.275 13.151 571 HA HIS -12 HA HIS -12 4.642 26.409 13.397 572 HB2 HIS -12 HB2 HIS -12 4.762 29.189 12.168 573 HB3 HIS -12 HB1 HIS -12 3.280 28.263 12.335 574 HD1 HIS -12 HD1 HIS -12 2.317 30.196 13.893 575 HD2 HIS -12 HD2 HIS -12 5.670 28.241 15.390 576 HE1 HIS -12 HE1 HIS -12 2.499 30.863 16.299 577 H HIS -11 HN HIS -11 6.655 27.620 10.901 578 HA HIS -11 HA HIS -11 5.497 25.679 9.046 579 HB2 HIS -11 HB2 HIS -11 6.994 28.258 8.506 580 HB3 HIS -11 HB1 HIS -11 6.690 27.059 7.263 581 HD1 HIS -11 HD1 HIS -11 4.385 27.090 6.169 582 HD2 HIS -11 HD2 HIS -11 4.704 29.613 9.457 583 HE1 HIS -11 HE1 HIS -11 2.321 28.541 6.145 584 H HIS -10 HN HIS -10 6.674 23.924 9.306 585 HA HIS -10 HA HIS -10 9.484 24.156 9.937 586 HB2 HIS -10 HB2 HIS -10 8.211 22.425 11.104 587 HB3 HIS -10 HB1 HIS -10 7.735 21.697 9.575 588 HD1 HIS -10 HD1 HIS -10 9.373 19.973 8.569 589 HD2 HIS -10 HD2 HIS -10 10.974 22.089 11.776 590 HE1 HIS -10 HE1 HIS -10 11.531 18.842 9.140 591 H HIS -9 HN HIS -9 7.605 22.342 7.572 592 HA HIS -9 HA HIS -9 8.128 21.396 5.620 593 HB2 HIS -9 HB2 HIS -9 9.273 24.159 5.045 594 HB3 HIS -9 HB1 HIS -9 8.878 22.962 3.813 595 HD1 HIS -9 HD1 HIS -9 6.409 22.928 3.011 596 HD2 HIS -9 HD2 HIS -9 7.033 25.264 6.396 597 HE1 HIS -9 HE1 HIS -9 4.255 24.180 3.412 598 H HIS -8 HN HIS -8 10.981 23.365 5.261 599 HA HIS -8 HA HIS -8 13.168 23.008 5.172 600 HB2 HIS -8 HB2 HIS -8 12.910 22.447 7.568 601 HB3 HIS -8 HB1 HIS -8 12.671 20.760 7.147 602 HD1 HIS -8 HD1 HIS -8 14.787 19.402 7.471 603 HD2 HIS -8 HD2 HIS -8 15.575 23.360 6.480 604 HE1 HIS -8 HE1 HIS -8 17.279 19.645 7.506 605 H HIS -7 HN HIS -7 11.653 19.854 5.111 606 HA HIS -7 HA HIS -7 13.562 18.960 3.059 607 HB2 HIS -7 HB2 HIS -7 11.487 17.361 4.593 608 HB3 HIS -7 HB1 HIS -7 12.718 16.718 3.518 609 HD1 HIS -7 HD1 HIS -7 15.070 16.364 4.524 610 HD2 HIS -7 HD2 HIS -7 12.384 18.198 7.103 611 HE1 HIS -7 HE1 HIS -7 16.184 16.399 6.766 612 H MET -6 HN MET -6 12.592 17.875 1.199 613 HA MET -6 HA MET -6 10.183 19.190 0.383 614 HB2 MET -6 HB2 MET -6 11.940 17.197 -1.063 615 HB3 MET -6 HB1 MET -6 10.500 17.913 -1.767 616 HG2 MET -6 HG2 MET -6 12.973 19.371 -0.879 617 HG3 MET -6 HG1 MET -6 12.478 19.063 -2.539 618 HE1 MET -6 HE1 MET -6 10.307 20.195 -3.667 619 HE2 MET -6 HE2 MET -6 9.242 21.313 -2.819 620 HE3 MET -6 HE3 MET -6 9.287 19.616 -2.348 621 H SER -5 HN SER -5 8.708 18.451 1.732 622 HA SER -5 HA SER -5 7.918 15.631 1.411 623 HB2 SER -5 HB2 SER -5 7.429 17.418 3.795 624 HB3 SER -5 HB1 SER -5 7.086 15.690 3.657 625 HG SER -5 HG SER -5 9.564 15.930 3.009 626 H ASP -4 HN ASP -4 7.116 18.871 0.941 627 HA ASP -4 HA ASP -4 4.296 18.845 1.314 628 HB2 ASP -4 HB2 ASP -4 5.728 20.867 1.310 629 HB3 ASP -4 HB1 ASP -4 6.028 20.623 -0.404 630 H ASP -3 HN ASP -3 6.447 18.218 -1.218 631 HA ASP -3 HA ASP -3 4.479 18.001 -3.343 632 HB2 ASP -3 HB2 ASP -3 6.441 17.548 -4.762 633 HB3 ASP -3 HB1 ASP -3 6.652 19.019 -3.815 634 H ASP -2 HN ASP -2 5.394 16.088 -0.901 635 HA ASP -2 HA ASP -2 5.695 13.592 -2.268 636 HB2 ASP -2 HB2 ASP -2 6.747 13.783 -0.111 637 HB3 ASP -2 HB1 ASP -2 5.223 14.213 0.653 638 H ASP -1 HN ASP -1 3.092 15.509 -1.284 639 HA ASP -1 HA ASP -1 1.111 13.419 -1.386 640 HB2 ASP -1 HB2 ASP -1 0.683 15.456 -0.050 641 HB3 ASP -1 HB1 ASP -1 0.833 16.447 -1.491 642 H LYS 0 HN LYS 0 1.598 12.405 -3.276 643 HA LYS 0 HA LYS 0 1.216 13.940 -5.784 644 HB2 LYS 0 HB2 LYS 0 3.087 12.873 -6.737 645 HB3 LYS 0 HB1 LYS 0 3.605 13.393 -5.138 646 HG2 LYS 0 HG2 LYS 0 3.110 11.030 -4.348 647 HG3 LYS 0 HG1 LYS 0 2.910 10.599 -6.045 648 HD2 LYS 0 HD2 LYS 0 5.115 10.042 -5.686 649 HD3 LYS 0 HD1 LYS 0 5.283 11.701 -6.261 650 HE2 LYS 0 HE2 LYS 0 6.668 11.448 -4.328 651 HE3 LYS 0 HE1 LYS 0 5.289 12.459 -3.899 652 HZ1 LYS 0 HZ1 LYS 0 4.221 10.434 -2.915 653 HZ2 LYS 0 HZ2 LYS 0 5.643 10.839 -2.138 654 HZ3 LYS 0 HZ3 LYS 0 5.613 9.565 -3.243 655 H GLY 1 HN GLY 1 0.042 11.365 -3.950 656 HA2 GLY 1 HA2 GLY 1 -0.226 9.567 -6.218 657 HA3 GLY 1 HA1 GLY 1 -0.563 9.172 -4.538 658 H ILE 2 HN ILE 2 -2.519 8.319 -5.082 659 HA ILE 2 HA ILE 2 -4.523 10.025 -6.299 660 HB ILE 2 HB ILE 2 -5.000 7.355 -4.904 661 HG12 ILE 2 HG12 ILE 2 -3.338 7.023 -6.704 662 HG13 ILE 2 HG11 ILE 2 -4.872 6.265 -7.099 663 HG21 ILE 2 HG21 ILE 2 -7.002 7.251 -6.295 664 HG22 ILE 2 HG22 ILE 2 -6.613 8.835 -6.967 665 HG23 ILE 2 HG23 ILE 2 -6.989 8.672 -5.252 666 HD11 ILE 2 HD11 ILE 2 -3.912 7.335 -9.049 667 HD12 ILE 2 HD12 ILE 2 -3.825 8.869 -8.188 668 HD13 ILE 2 HD13 ILE 2 -5.398 8.166 -8.578 669 H HIS 3 HN HIS 3 -5.646 11.448 -5.164 670 HA HIS 3 HA HIS 3 -5.208 11.567 -2.289 671 HB2 HIS 3 HB2 HIS 3 -6.655 13.619 -3.996 672 HB3 HIS 3 HB1 HIS 3 -5.904 13.865 -2.424 673 HD1 HIS 3 HD1 HIS 3 -3.159 14.047 -2.464 674 HD2 HIS 3 HD2 HIS 3 -5.063 13.995 -6.170 675 HE1 HIS 3 HE1 HIS 3 -1.457 14.765 -4.137 676 H SER 4 HN SER 4 -6.550 9.915 -1.703 677 HA SER 4 HA SER 4 -9.392 10.116 -2.394 678 HB2 SER 4 HB2 SER 4 -7.605 7.941 -1.563 679 HB3 SER 4 HB1 SER 4 -9.338 7.677 -1.615 680 HG SER 4 HG SER 4 -8.306 8.882 -3.850 681 H SER 5 HN SER 5 -10.459 8.554 -0.433 682 HA SER 5 HA SER 5 -9.591 9.484 2.111 683 HB2 SER 5 HB2 SER 5 -10.910 11.386 1.292 684 HB3 SER 5 HB1 SER 5 -12.245 10.312 0.906 685 HG SER 5 HG SER 5 -11.156 10.592 3.482 686 H VAL 6 HN VAL 6 -10.465 8.214 3.708 687 HA VAL 6 HA VAL 6 -11.504 5.639 2.893 688 HB VAL 6 HB VAL 6 -11.050 6.749 5.676 689 HG11 VAL 6 HG11 VAL 6 -12.517 4.817 5.648 690 HG12 VAL 6 HG12 VAL 6 -10.964 4.413 6.377 691 HG13 VAL 6 HG13 VAL 6 -11.326 3.900 4.725 692 HG21 VAL 6 HG21 VAL 6 -9.032 6.841 4.467 693 HG22 VAL 6 HG22 VAL 6 -9.272 5.192 3.873 694 HG23 VAL 6 HG23 VAL 6 -8.931 5.474 5.596 695 H LYS 7 HN LYS 7 -13.640 5.296 2.738 696 HA LYS 7 HA LYS 7 -15.325 7.104 4.307 697 HB2 LYS 7 HB2 LYS 7 -15.986 5.885 1.619 698 HB3 LYS 7 HB1 LYS 7 -17.064 6.928 2.573 699 HG2 LYS 7 HG2 LYS 7 -14.502 7.667 1.163 700 HG3 LYS 7 HG1 LYS 7 -16.135 8.115 0.691 701 HD2 LYS 7 HD2 LYS 7 -16.303 9.402 2.850 702 HD3 LYS 7 HD1 LYS 7 -14.588 9.058 3.111 703 HE2 LYS 7 HE2 LYS 7 -14.179 10.060 0.820 704 HE3 LYS 7 HE1 LYS 7 -15.831 10.633 0.861 705 HZ1 LYS 7 HZ1 LYS 7 -14.372 12.379 1.574 706 HZ2 LYS 7 HZ2 LYS 7 -13.605 11.398 2.654 707 HZ3 LYS 7 HZ3 LYS 7 -15.194 11.893 2.977 708 H ARG 8 HN ARG 8 -17.448 6.081 4.845 709 HA ARG 8 HA ARG 8 -16.834 3.430 5.883 710 HB2 ARG 8 HB2 ARG 8 -17.501 5.128 7.459 711 HB3 ARG 8 HB1 ARG 8 -19.037 5.341 6.615 712 HG2 ARG 8 HG2 ARG 8 -19.603 3.016 7.183 713 HG3 ARG 8 HG1 ARG 8 -18.078 2.887 8.060 714 HD2 ARG 8 HD2 ARG 8 -20.247 4.879 8.654 715 HD3 ARG 8 HD1 ARG 8 -20.007 3.355 9.503 716 HE ARG 8 HE ARG 8 -17.858 4.185 10.229 717 HH11 ARG 8 HH11 ARG 8 -20.073 6.688 9.026 718 HH12 ARG 8 HH12 ARG 8 -19.495 7.890 10.086 719 HH21 ARG 8 HH21 ARG 8 -17.098 5.860 11.700 720 HH22 ARG 8 HH22 ARG 8 -17.774 7.413 11.616 721 H TRP 9 HN TRP 9 -17.496 1.752 4.829 722 HA TRP 9 HA TRP 9 -19.969 1.805 3.262 723 HB2 TRP 9 HB2 TRP 9 -17.835 1.129 2.128 724 HB3 TRP 9 HB1 TRP 9 -17.658 -0.152 3.287 725 HD1 TRP 9 HD1 TRP 9 -21.165 0.166 1.996 726 HE1 TRP 9 HE1 TRP 9 -21.615 -1.623 0.273 727 HE3 TRP 9 HE3 TRP 9 -16.374 -1.722 1.331 728 HZ2 TRP 9 HZ2 TRP 9 -20.293 -3.595 -1.094 729 HZ3 TRP 9 HZ3 TRP 9 -16.121 -3.559 -0.166 730 HH2 TRP 9 HH2 TRP 9 -18.111 -4.485 -1.407 731 H GLY 10 HN GLY 10 -21.489 1.462 4.869 732 HA2 GLY 10 HA2 GLY 10 -22.750 0.219 6.309 733 HA3 GLY 10 HA1 GLY 10 -21.651 -1.136 6.037 734 H ASN 11 HN ASN 11 -20.755 -1.747 7.872 735 HA ASN 11 HA ASN 11 -19.855 0.311 9.770 736 HB2 ASN 11 HB2 ASN 11 -21.309 -1.467 10.687 737 HB3 ASN 11 HB1 ASN 11 -20.222 -2.695 10.081 738 HD21 ASN 11 HD21 ASN 11 -20.614 -0.170 12.507 739 HD22 ASN 11 HD22 ASN 11 -19.426 -0.788 13.581 740 H SER 12 HN SER 12 -18.386 -0.417 7.116 741 HA SER 12 HA SER 12 -15.946 -1.384 8.294 742 HB2 SER 12 HB2 SER 12 -17.000 -3.192 6.979 743 HB3 SER 12 HB1 SER 12 -17.196 -2.071 5.639 744 HG SER 12 HG SER 12 -14.617 -2.112 6.336 745 HA PRO 13 HA PRO 13 -14.584 2.438 6.287 746 HB2 PRO 13 HB2 PRO 13 -11.910 1.983 6.815 747 HB3 PRO 13 HB1 PRO 13 -13.008 2.774 7.939 748 HG2 PRO 13 HG2 PRO 13 -12.000 -0.014 7.924 749 HG3 PRO 13 HG1 PRO 13 -12.412 1.027 9.293 750 HD2 PRO 13 HD2 PRO 13 -13.992 -1.013 8.364 751 HD3 PRO 13 HD1 PRO 13 -14.628 0.387 9.238 752 H ALA 14 HN ALA 14 -14.290 2.542 4.137 753 HA ALA 14 HA ALA 14 -12.870 0.341 2.858 754 HB1 ALA 14 HB1 ALA 14 -14.457 0.418 1.075 755 HB2 ALA 14 HB2 ALA 14 -15.321 1.749 1.848 756 HB3 ALA 14 HB3 ALA 14 -15.294 0.155 2.603 757 H VAL 15 HN VAL 15 -11.525 0.845 1.269 758 HA VAL 15 HA VAL 15 -11.090 3.677 0.665 759 HB VAL 15 HB VAL 15 -9.129 1.353 0.479 760 HG11 VAL 15 HG11 VAL 15 -7.434 3.030 -0.130 761 HG12 VAL 15 HG12 VAL 15 -8.676 4.278 -0.147 762 HG13 VAL 15 HG13 VAL 15 -8.726 2.969 -1.329 763 HG21 VAL 15 HG21 VAL 15 -7.908 2.545 2.231 764 HG22 VAL 15 HG22 VAL 15 -9.542 2.127 2.757 765 HG23 VAL 15 HG23 VAL 15 -9.168 3.778 2.263 766 H ARG 16 HN ARG 16 -11.431 4.317 -1.361 767 HA ARG 16 HA ARG 16 -12.450 2.435 -3.257 768 HB2 ARG 16 HB2 ARG 16 -12.184 5.405 -3.180 769 HB3 ARG 16 HB1 ARG 16 -12.750 4.564 -4.628 770 HG2 ARG 16 HG2 ARG 16 -14.534 3.633 -3.358 771 HG3 ARG 16 HG1 ARG 16 -14.021 4.449 -1.888 772 HD2 ARG 16 HD2 ARG 16 -14.313 6.599 -3.013 773 HD3 ARG 16 HD1 ARG 16 -14.840 5.751 -4.466 774 HE ARG 16 HE ARG 16 -16.365 5.154 -2.102 775 HH11 ARG 16 HH11 ARG 16 -16.058 7.340 -4.872 776 HH12 ARG 16 HH12 ARG 16 -17.711 7.758 -4.909 777 HH21 ARG 16 HH21 ARG 16 -18.698 5.798 -2.151 778 HH22 ARG 16 HH22 ARG 16 -19.182 6.881 -3.366 779 H ILE 17 HN ILE 17 -11.333 1.483 -4.730 780 HA ILE 17 HA ILE 17 -8.595 2.317 -5.324 781 HB ILE 17 HB ILE 17 -10.151 -0.186 -6.066 782 HG12 ILE 17 HG12 ILE 17 -9.689 -0.122 -3.696 783 HG13 ILE 17 HG11 ILE 17 -8.709 -1.365 -4.455 784 HG21 ILE 17 HG21 ILE 17 -7.216 0.380 -6.501 785 HG22 ILE 17 HG22 ILE 17 -8.454 0.249 -7.749 786 HG23 ILE 17 HG23 ILE 17 -8.017 -1.167 -6.795 787 HD11 ILE 17 HD11 ILE 17 -6.772 0.145 -4.343 788 HD12 ILE 17 HD12 ILE 17 -7.489 -0.190 -2.759 789 HD13 ILE 17 HD13 ILE 17 -7.788 1.358 -3.547 790 HA PRO 18 HA PRO 18 -10.222 3.916 -9.220 791 HB2 PRO 18 HB2 PRO 18 -7.484 3.902 -10.259 792 HB3 PRO 18 HB1 PRO 18 -8.540 5.276 -9.921 793 HG2 PRO 18 HG2 PRO 18 -6.330 4.718 -8.430 794 HG3 PRO 18 HG1 PRO 18 -7.761 5.535 -7.790 795 HD2 PRO 18 HD2 PRO 18 -6.916 2.685 -7.497 796 HD3 PRO 18 HD1 PRO 18 -7.681 3.766 -6.313 797 H ALA 19 HN ALA 19 -10.888 2.847 -11.020 798 HA ALA 19 HA ALA 19 -10.347 0.084 -11.296 799 HB1 ALA 19 HB1 ALA 19 -11.685 1.924 -13.284 800 HB2 ALA 19 HB2 ALA 19 -12.484 1.082 -11.952 801 HB3 ALA 19 HB3 ALA 19 -11.759 0.158 -13.266 802 H THR 20 HN THR 20 -8.956 2.935 -12.712 803 HA THR 20 HA THR 20 -7.543 2.002 -14.864 804 HB THR 20 HB THR 20 -6.411 3.835 -12.782 805 HG1 THR 20 HG1 THR 20 -8.037 5.166 -14.433 806 HG21 THR 20 HG21 THR 20 -5.741 5.117 -14.778 807 HG22 THR 20 HG22 THR 20 -6.554 3.933 -15.807 808 HG23 THR 20 HG23 THR 20 -5.150 3.456 -14.853 809 H LEU 21 HN LEU 21 -6.816 1.948 -11.400 810 HA LEU 21 HA LEU 21 -4.224 0.792 -11.709 811 HB2 LEU 21 HB2 LEU 21 -5.900 1.635 -9.435 812 HB3 LEU 21 HB1 LEU 21 -4.591 0.509 -9.133 813 HG LEU 21 HG LEU 21 -4.133 2.857 -8.723 814 HD11 LEU 21 HD11 LEU 21 -2.422 1.546 -10.887 815 HD12 LEU 21 HD12 LEU 21 -2.314 1.195 -9.170 816 HD13 LEU 21 HD13 LEU 21 -1.848 2.787 -9.774 817 HD21 LEU 21 HD21 LEU 21 -4.253 3.028 -11.701 818 HD22 LEU 21 HD22 LEU 21 -3.531 4.298 -10.699 819 HD23 LEU 21 HD23 LEU 21 -5.261 3.920 -10.562 820 H MET 22 HN MET 22 -7.332 -0.246 -10.854 821 HA MET 22 HA MET 22 -6.840 -2.922 -10.131 822 HB2 MET 22 HB2 MET 22 -9.024 -2.055 -12.021 823 HB3 MET 22 HB1 MET 22 -8.900 -3.624 -11.253 824 HG2 MET 22 HG2 MET 22 -9.254 -2.557 -9.078 825 HG3 MET 22 HG1 MET 22 -9.390 -0.997 -9.885 826 HE1 MET 22 HE1 MET 22 -10.955 -4.633 -9.564 827 HE2 MET 22 HE2 MET 22 -10.628 -4.460 -11.294 828 HE3 MET 22 HE3 MET 22 -12.275 -4.500 -10.729 829 H GLN 23 HN GLN 23 -7.220 -1.619 -13.319 830 HA GLN 23 HA GLN 23 -6.617 -3.984 -14.726 831 HB2 GLN 23 HB2 GLN 23 -6.384 -1.111 -15.556 832 HB3 GLN 23 HB1 GLN 23 -6.347 -2.502 -16.635 833 HG2 GLN 23 HG2 GLN 23 -8.572 -3.099 -15.945 834 HG3 GLN 23 HG1 GLN 23 -8.631 -1.722 -14.857 835 HE21 GLN 23 HE21 GLN 23 -8.797 0.323 -15.682 836 HE22 GLN 23 HE22 GLN 23 -9.262 0.635 -17.317 837 H ALA 24 HN ALA 24 -4.733 -1.417 -13.400 838 HA ALA 24 HA ALA 24 -2.350 -2.050 -14.884 839 HB1 ALA 24 HB1 ALA 24 -2.742 0.207 -13.966 840 HB2 ALA 24 HB2 ALA 24 -1.205 -0.471 -13.432 841 HB3 ALA 24 HB3 ALA 24 -2.585 -0.448 -12.334 842 H LEU 25 HN LEU 25 -3.695 -3.004 -11.816 843 HA LEU 25 HA LEU 25 -1.285 -4.424 -11.074 844 HB2 LEU 25 HB2 LEU 25 -3.896 -4.111 -9.654 845 HB3 LEU 25 HB1 LEU 25 -2.413 -4.776 -8.984 846 HG LEU 25 HG LEU 25 -2.830 -1.934 -9.885 847 HD11 LEU 25 HD11 LEU 25 -2.631 -3.176 -7.195 848 HD12 LEU 25 HD12 LEU 25 -4.029 -2.374 -7.915 849 HD13 LEU 25 HD13 LEU 25 -2.579 -1.436 -7.502 850 HD21 LEU 25 HD21 LEU 25 -0.629 -1.510 -8.855 851 HD22 LEU 25 HD22 LEU 25 -0.527 -2.576 -10.248 852 HD23 LEU 25 HD23 LEU 25 -0.419 -3.246 -8.622 853 H ASN 26 HN ASN 26 -3.921 -4.962 -12.936 854 HA ASN 26 HA ASN 26 -4.881 -6.732 -13.959 855 HB2 ASN 26 HB2 ASN 26 -2.574 -8.289 -12.756 856 HB3 ASN 26 HB1 ASN 26 -3.744 -8.964 -13.877 857 HD21 ASN 26 HD21 ASN 26 -0.982 -6.888 -13.513 858 HD22 ASN 26 HD22 ASN 26 -0.693 -6.689 -15.196 859 H LEU 27 HN LEU 27 -5.618 -6.068 -11.112 860 HA LEU 27 HA LEU 27 -6.470 -8.686 -10.281 861 HB2 LEU 27 HB2 LEU 27 -6.901 -7.678 -8.128 862 HB3 LEU 27 HB1 LEU 27 -5.238 -7.463 -8.617 863 HG LEU 27 HG LEU 27 -6.294 -5.095 -9.394 864 HD11 LEU 27 HD11 LEU 27 -7.814 -5.963 -6.980 865 HD12 LEU 27 HD12 LEU 27 -8.515 -5.632 -8.566 866 HD13 LEU 27 HD13 LEU 27 -7.769 -4.320 -7.608 867 HD21 LEU 27 HD21 LEU 27 -5.391 -5.712 -6.586 868 HD22 LEU 27 HD22 LEU 27 -5.305 -4.155 -7.438 869 HD23 LEU 27 HD23 LEU 27 -4.327 -5.507 -7.978 870 H ASN 28 HN ASN 28 -8.772 -8.452 -9.047 871 HA ASN 28 HA ASN 28 -10.620 -7.020 -10.831 872 HB2 ASN 28 HB2 ASN 28 -10.782 -9.996 -10.286 873 HB3 ASN 28 HB1 ASN 28 -12.018 -9.060 -11.101 874 HD21 ASN 28 HD21 ASN 28 -9.061 -10.718 -11.371 875 HD22 ASN 28 HD22 ASN 28 -8.826 -10.496 -13.056 876 H ILE 29 HN ILE 29 -12.940 -7.574 -10.047 877 HA ILE 29 HA ILE 29 -13.163 -6.985 -7.239 878 HB ILE 29 HB ILE 29 -15.286 -7.673 -9.315 879 HG12 ILE 29 HG12 ILE 29 -14.448 -5.424 -9.664 880 HG13 ILE 29 HG11 ILE 29 -16.045 -5.341 -8.976 881 HG21 ILE 29 HG21 ILE 29 -17.031 -7.150 -7.727 882 HG22 ILE 29 HG22 ILE 29 -15.827 -6.846 -6.473 883 HG23 ILE 29 HG23 ILE 29 -16.027 -8.470 -7.124 884 HD11 ILE 29 HD11 ILE 29 -15.105 -4.880 -6.775 885 HD12 ILE 29 HD12 ILE 29 -14.641 -3.684 -7.977 886 HD13 ILE 29 HD13 ILE 29 -13.478 -4.909 -7.466 887 H ASP 30 HN ASP 30 -13.631 -8.338 -5.616 888 HA ASP 30 HA ASP 30 -14.019 -10.139 -4.410 889 HB2 ASP 30 HB2 ASP 30 -15.907 -10.586 -6.050 890 HB3 ASP 30 HB1 ASP 30 -14.788 -11.593 -6.954 891 H ASP 31 HN ASP 31 -11.505 -9.488 -5.970 892 HA ASP 31 HA ASP 31 -10.303 -12.111 -6.045 893 HB2 ASP 31 HB2 ASP 31 -9.931 -10.257 -7.839 894 HB3 ASP 31 HB1 ASP 31 -8.935 -9.483 -6.617 895 H GLU 32 HN GLU 32 -8.687 -12.583 -4.653 896 HA GLU 32 HA GLU 32 -8.899 -11.377 -2.071 897 HB2 GLU 32 HB2 GLU 32 -8.951 -13.736 -2.223 898 HB3 GLU 32 HB1 GLU 32 -7.498 -13.804 -3.188 899 HG2 GLU 32 HG2 GLU 32 -6.265 -12.936 -1.223 900 HG3 GLU 32 HG1 GLU 32 -7.758 -13.067 -0.288 901 H VAL 33 HN VAL 33 -7.398 -10.101 -1.143 902 HA VAL 33 HA VAL 33 -4.890 -9.819 -2.531 903 HB VAL 33 HB VAL 33 -4.860 -7.424 -2.571 904 HG11 VAL 33 HG11 VAL 33 -6.742 -6.798 -3.944 905 HG12 VAL 33 HG12 VAL 33 -7.595 -8.219 -3.351 906 HG13 VAL 33 HG13 VAL 33 -6.161 -8.428 -4.380 907 HG21 VAL 33 HG21 VAL 33 -6.636 -5.993 -1.699 908 HG22 VAL 33 HG22 VAL 33 -5.876 -6.944 -0.428 909 HG23 VAL 33 HG23 VAL 33 -7.469 -7.416 -1.073 910 H LYS 34 HN LYS 34 -3.136 -9.110 -1.218 911 HA LYS 34 HA LYS 34 -3.599 -9.560 1.622 912 HB2 LYS 34 HB2 LYS 34 -1.136 -9.006 0.097 913 HB3 LYS 34 HB1 LYS 34 -1.168 -9.423 1.796 914 HG2 LYS 34 HG2 LYS 34 -2.056 -11.694 1.061 915 HG3 LYS 34 HG1 LYS 34 -1.665 -11.191 -0.594 916 HD2 LYS 34 HD2 LYS 34 0.278 -11.362 1.726 917 HD3 LYS 34 HD1 LYS 34 0.212 -12.428 0.316 918 HE2 LYS 34 HE2 LYS 34 0.967 -10.736 -1.140 919 HE3 LYS 34 HE1 LYS 34 0.609 -9.468 0.021 920 HZ1 LYS 34 HZ1 LYS 34 2.882 -9.759 -0.129 921 HZ2 LYS 34 HZ2 LYS 34 2.875 -11.378 0.132 922 HZ3 LYS 34 HZ3 LYS 34 2.438 -10.293 1.402 923 H ILE 35 HN ILE 35 -3.769 -7.857 2.903 924 HA ILE 35 HA ILE 35 -2.415 -5.399 2.093 925 HB ILE 35 HB ILE 35 -4.220 -5.862 4.528 926 HG12 ILE 35 HG12 ILE 35 -5.698 -4.104 3.416 927 HG13 ILE 35 HG11 ILE 35 -4.738 -4.331 1.967 928 HG21 ILE 35 HG21 ILE 35 -4.043 -3.477 4.946 929 HG22 ILE 35 HG22 ILE 35 -2.933 -3.330 3.579 930 HG23 ILE 35 HG23 ILE 35 -2.471 -4.286 4.987 931 HD11 ILE 35 HD11 ILE 35 -5.445 -6.661 1.881 932 HD12 ILE 35 HD12 ILE 35 -6.823 -5.550 1.866 933 HD13 ILE 35 HD13 ILE 35 -6.382 -6.402 3.356 934 H ASP 36 HN ASP 36 -0.347 -5.672 2.445 935 HA ASP 36 HA ASP 36 0.536 -7.351 4.702 936 HB2 ASP 36 HB2 ASP 36 1.297 -7.403 2.013 937 HB3 ASP 36 HB1 ASP 36 2.519 -6.384 2.724 938 H LEU 37 HN LEU 37 1.844 -6.363 6.419 939 HA LEU 37 HA LEU 37 1.796 -3.558 6.355 940 HB2 LEU 37 HB2 LEU 37 0.833 -5.044 8.182 941 HB3 LEU 37 HB1 LEU 37 2.491 -5.545 8.453 942 HG LEU 37 HG LEU 37 1.559 -3.919 10.108 943 HD11 LEU 37 HD11 LEU 37 3.882 -4.283 9.976 944 HD12 LEU 37 HD12 LEU 37 3.604 -2.538 10.192 945 HD13 LEU 37 HD13 LEU 37 3.998 -3.217 8.590 946 HD21 LEU 37 HD21 LEU 37 0.364 -2.603 8.494 947 HD22 LEU 37 HD22 LEU 37 1.899 -1.986 7.858 948 HD23 LEU 37 HD23 LEU 37 1.406 -1.607 9.518 949 H VAL 38 HN VAL 38 3.546 -2.519 6.225 950 HA VAL 38 HA VAL 38 6.223 -3.606 6.734 951 HB VAL 38 HB VAL 38 5.662 -2.251 4.069 952 HG11 VAL 38 HG11 VAL 38 8.193 -3.489 5.133 953 HG12 VAL 38 HG12 VAL 38 7.882 -1.772 4.887 954 HG13 VAL 38 HG13 VAL 38 7.983 -2.857 3.502 955 HG21 VAL 38 HG21 VAL 38 4.770 -4.484 3.890 956 HG22 VAL 38 HG22 VAL 38 6.203 -5.165 4.638 957 HG23 VAL 38 HG23 VAL 38 6.312 -4.459 3.025 958 H ASP 39 HN ASP 39 7.335 -2.110 7.836 959 HA ASP 39 HA ASP 39 8.111 -0.152 8.709 960 HB2 ASP 39 HB2 ASP 39 7.064 1.068 6.141 961 HB3 ASP 39 HB1 ASP 39 8.012 1.931 7.338 962 H GLY 40 HN GLY 40 5.325 -1.019 9.060 963 HA2 GLY 40 HA2 GLY 40 3.556 -0.308 10.374 964 HA3 GLY 40 HA1 GLY 40 4.413 1.206 10.602 965 H LYS 41 HN LYS 41 3.896 0.278 7.310 966 HA LYS 41 HA LYS 41 1.501 1.953 7.183 967 HB2 LYS 41 HB2 LYS 41 2.260 2.851 5.036 968 HB3 LYS 41 HB1 LYS 41 3.512 3.170 6.237 969 HG2 LYS 41 HG2 LYS 41 4.334 0.805 5.142 970 HG3 LYS 41 HG1 LYS 41 3.495 1.556 3.810 971 HD2 LYS 41 HD2 LYS 41 4.838 3.540 3.923 972 HD3 LYS 41 HD1 LYS 41 5.646 2.964 5.383 973 HE2 LYS 41 HE2 LYS 41 6.512 1.032 4.072 974 HE3 LYS 41 HE1 LYS 41 5.804 1.742 2.628 975 HZ1 LYS 41 HZ1 LYS 41 7.924 3.004 4.299 976 HZ2 LYS 41 HZ2 LYS 41 7.223 3.669 2.907 977 HZ3 LYS 41 HZ3 LYS 41 8.136 2.273 2.798 978 H LEU 42 HN LEU 42 0.139 1.347 5.291 979 HA LEU 42 HA LEU 42 0.242 -1.545 5.123 980 HB2 LEU 42 HB2 LEU 42 -1.987 0.352 4.421 981 HB3 LEU 42 HB1 LEU 42 -2.062 -1.393 4.249 982 HG LEU 42 HG LEU 42 -1.532 0.052 6.757 983 HD11 LEU 42 HD11 LEU 42 -3.937 -0.512 7.345 984 HD12 LEU 42 HD12 LEU 42 -4.138 -1.145 5.710 985 HD13 LEU 42 HD13 LEU 42 -3.820 0.570 5.960 986 HD21 LEU 42 HD21 LEU 42 -0.720 -2.209 6.812 987 HD22 LEU 42 HD22 LEU 42 -2.288 -2.818 6.276 988 HD23 LEU 42 HD23 LEU 42 -2.129 -2.075 7.860 989 H ILE 43 HN ILE 43 0.562 -2.568 3.477 990 HA ILE 43 HA ILE 43 1.185 -1.109 0.988 991 HB ILE 43 HB ILE 43 2.256 -3.782 1.870 992 HG12 ILE 43 HG12 ILE 43 3.042 -2.121 3.420 993 HG13 ILE 43 HG11 ILE 43 4.369 -2.671 2.391 994 HG21 ILE 43 HG21 ILE 43 2.290 -3.463 -0.516 995 HG22 ILE 43 HG22 ILE 43 3.930 -3.503 0.134 996 HG23 ILE 43 HG23 ILE 43 3.204 -1.959 -0.335 997 HD11 ILE 43 HD11 ILE 43 4.465 -0.269 2.831 998 HD12 ILE 43 HD12 ILE 43 2.868 -0.064 2.137 999 HD13 ILE 43 HD13 ILE 43 4.219 -0.610 1.121 1000 H ILE 44 HN ILE 44 0.250 -1.811 -0.840 1001 HA ILE 44 HA ILE 44 -1.738 -3.946 -0.521 1002 HB ILE 44 HB ILE 44 -1.747 -1.604 -2.414 1003 HG12 ILE 44 HG12 ILE 44 -2.306 -0.940 -0.142 1004 HG13 ILE 44 HG11 ILE 44 -3.729 -0.813 -1.169 1005 HG21 ILE 44 HG21 ILE 44 -3.741 -3.854 -2.150 1006 HG22 ILE 44 HG22 ILE 44 -2.789 -3.417 -3.575 1007 HG23 ILE 44 HG23 ILE 44 -4.069 -2.353 -3.008 1008 HD11 ILE 44 HD11 ILE 44 -4.553 -2.937 -0.239 1009 HD12 ILE 44 HD12 ILE 44 -4.310 -1.708 1.002 1010 HD13 ILE 44 HD13 ILE 44 -3.137 -3.008 0.813 1011 H GLU 45 HN GLU 45 -0.936 -5.684 -1.223 1012 HA GLU 45 HA GLU 45 0.264 -5.703 -3.846 1013 HB2 GLU 45 HB2 GLU 45 2.076 -5.987 -2.376 1014 HB3 GLU 45 HB1 GLU 45 1.185 -7.047 -1.304 1015 HG2 GLU 45 HG2 GLU 45 1.342 -8.819 -2.977 1016 HG3 GLU 45 HG1 GLU 45 2.152 -7.703 -4.082 1017 HA PRO 46 HA PRO 46 -3.170 -8.408 -4.052 1018 HB2 PRO 46 HB2 PRO 46 -2.804 -8.982 -6.824 1019 HB3 PRO 46 HB1 PRO 46 -3.883 -7.787 -6.098 1020 HG2 PRO 46 HG2 PRO 46 -1.696 -7.283 -7.608 1021 HG3 PRO 46 HG1 PRO 46 -2.469 -6.095 -6.519 1022 HD2 PRO 46 HD2 PRO 46 -0.078 -7.879 -6.092 1023 HD3 PRO 46 HD1 PRO 46 -0.195 -6.217 -5.537 1024 H VAL 47 HN VAL 47 -3.672 -10.610 -4.991 1025 HA VAL 47 HA VAL 47 -1.325 -12.302 -4.492 1026 HB VAL 47 HB VAL 47 -4.172 -13.263 -4.380 1027 HG11 VAL 47 HG11 VAL 47 -1.655 -14.231 -3.157 1028 HG12 VAL 47 HG12 VAL 47 -2.393 -14.884 -4.648 1029 HG13 VAL 47 HG13 VAL 47 -3.227 -15.044 -3.069 1030 HG21 VAL 47 HG21 VAL 47 -2.519 -12.193 -2.116 1031 HG22 VAL 47 HG22 VAL 47 -3.970 -13.173 -1.910 1032 HG23 VAL 47 HG23 VAL 47 -4.088 -11.598 -2.709 1033 H ARG 48 HN ARG 48 -0.518 -12.832 -6.323 1034 HA ARG 48 HA ARG 48 -2.032 -12.865 -8.726 1035 HB2 ARG 48 HB2 ARG 48 0.067 -13.657 -9.794 1036 HB3 ARG 48 HB1 ARG 48 0.267 -12.184 -8.855 1037 HG2 ARG 48 HG2 ARG 48 1.283 -13.431 -7.056 1038 HG3 ARG 48 HG1 ARG 48 0.977 -14.951 -7.899 1039 HD2 ARG 48 HD2 ARG 48 2.441 -14.274 -9.696 1040 HD3 ARG 48 HD1 ARG 48 2.695 -12.708 -8.927 1041 HE ARG 48 HE ARG 48 3.564 -14.171 -7.006 1042 HH11 ARG 48 HH11 ARG 48 3.902 -15.154 -10.383 1043 HH12 ARG 48 HH12 ARG 48 5.498 -15.697 -10.210 1044 HH21 ARG 48 HH21 ARG 48 5.712 -14.952 -6.746 1045 HH22 ARG 48 HH22 ARG 48 6.573 -15.577 -8.081 1046 H LYS 49 HN LYS 49 -2.642 -14.599 -9.990 1047 HA LYS 49 HA LYS 49 -2.976 -17.025 -8.461 1048 HB2 LYS 49 HB2 LYS 49 -4.339 -15.891 -10.878 1049 HB3 LYS 49 HB1 LYS 49 -4.422 -17.620 -10.574 1050 HG2 LYS 49 HG2 LYS 49 -6.396 -16.395 -9.725 1051 HG3 LYS 49 HG1 LYS 49 -5.522 -17.232 -8.449 1052 HD2 LYS 49 HD2 LYS 49 -4.444 -15.106 -7.829 1053 HD3 LYS 49 HD1 LYS 49 -5.351 -14.283 -9.089 1054 HE2 LYS 49 HE2 LYS 49 -7.436 -14.825 -7.957 1055 HE3 LYS 49 HE1 LYS 49 -6.570 -15.800 -6.778 1056 HZ1 LYS 49 HZ1 LYS 49 -7.028 -13.787 -5.761 1057 HZ2 LYS 49 HZ2 LYS 49 -6.574 -12.831 -7.038 1058 HZ3 LYS 49 HZ3 LYS 49 -5.393 -13.657 -6.143 1059 H GLU 50 HN GLU 50 -1.231 -17.961 -8.460 1060 HA GLU 50 HA GLU 50 -0.371 -19.572 -10.657 1061 HB2 GLU 50 HB2 GLU 50 1.512 -17.516 -9.435 1062 HB3 GLU 50 HB1 GLU 50 2.083 -18.926 -10.302 1063 HG2 GLU 50 HG2 GLU 50 0.976 -18.106 -12.332 1064 HG3 GLU 50 HG1 GLU 50 0.417 -16.693 -11.442 Start of MODEL 12 1 H1 ASN -16 HT1 ASN -16 23.783 -26.061 -14.860 2 H2 ASN -16 HT2 ASN -16 22.622 -27.251 -15.193 3 H3 ASN -16 HT3 ASN -16 22.778 -26.661 -13.642 4 HA ASN -16 HA ASN -16 22.056 -24.485 -14.338 5 HB2 ASN -16 HB2 ASN -16 21.756 -25.801 -17.051 6 HB3 ASN -16 HB1 ASN -16 21.053 -24.251 -16.616 7 HD21 ASN -16 HD21 ASN -16 22.196 -23.215 -18.219 8 HD22 ASN -16 HD22 ASN -16 23.885 -22.897 -18.097 9 H HIS -15 HN HIS -15 20.227 -24.308 -13.317 10 HA HIS -15 HA HIS -15 18.266 -26.453 -13.557 11 HB2 HIS -15 HB2 HIS -15 18.339 -24.058 -11.695 12 HB3 HIS -15 HB1 HIS -15 17.153 -25.354 -11.651 13 HD1 HIS -15 HD1 HIS -15 19.767 -24.337 -9.650 14 HD2 HIS -15 HD2 HIS -15 18.937 -27.961 -11.515 15 HE1 HIS -15 HE1 HIS -15 21.040 -26.087 -8.378 16 H LYS -14 HN LYS -14 16.062 -25.913 -14.023 17 HA LYS -14 HA LYS -14 15.822 -23.409 -15.509 18 HB2 LYS -14 HB2 LYS -14 13.985 -24.607 -16.822 19 HB3 LYS -14 HB1 LYS -14 15.631 -25.104 -17.146 20 HG2 LYS -14 HG2 LYS -14 15.302 -27.084 -15.746 21 HG3 LYS -14 HG1 LYS -14 13.634 -26.584 -15.432 22 HD2 LYS -14 HD2 LYS -14 13.101 -26.772 -17.784 23 HD3 LYS -14 HD1 LYS -14 14.785 -27.104 -18.174 24 HE2 LYS -14 HE2 LYS -14 13.497 -29.153 -18.219 25 HE3 LYS -14 HE1 LYS -14 14.667 -29.201 -16.911 26 HZ1 LYS -14 HZ1 LYS -14 12.867 -28.696 -15.349 27 HZ2 LYS -14 HZ2 LYS -14 12.513 -30.069 -16.232 28 HZ3 LYS -14 HZ3 LYS -14 11.746 -28.637 -16.604 29 H VAL -13 HN VAL -13 15.351 -24.136 -12.710 30 HA VAL -13 HA VAL -13 12.506 -23.558 -12.396 31 HB VAL -13 HB VAL -13 14.611 -24.184 -10.301 32 HG11 VAL -13 HG11 VAL -13 11.611 -24.054 -10.037 33 HG12 VAL -13 HG12 VAL -13 12.756 -22.884 -9.392 34 HG13 VAL -13 HG13 VAL -13 12.736 -24.535 -8.768 35 HG21 VAL -13 HG21 VAL -13 12.496 -25.977 -11.490 36 HG22 VAL -13 HG22 VAL -13 13.556 -26.402 -10.146 37 HG23 VAL -13 HG23 VAL -13 14.235 -26.101 -11.747 38 H HIS -12 HN HIS -12 11.848 -21.544 -11.919 39 HA HIS -12 HA HIS -12 13.821 -19.478 -11.547 40 HB2 HIS -12 HB2 HIS -12 10.791 -19.296 -11.660 41 HB3 HIS -12 HB1 HIS -12 11.881 -17.921 -11.607 42 HD1 HIS -12 HD1 HIS -12 9.937 -19.746 -13.944 43 HD2 HIS -12 HD2 HIS -12 13.756 -18.110 -13.995 44 HE1 HIS -12 HE1 HIS -12 10.542 -19.454 -16.372 45 H HIS -11 HN HIS -11 14.653 -19.831 -9.576 46 HA HIS -11 HA HIS -11 12.802 -19.721 -7.282 47 HB2 HIS -11 HB2 HIS -11 13.925 -21.920 -7.532 48 HB3 HIS -11 HB1 HIS -11 15.488 -21.126 -7.496 49 HD1 HIS -11 HD1 HIS -11 12.583 -22.017 -5.193 50 HD2 HIS -11 HD2 HIS -11 16.503 -20.659 -5.000 51 HE1 HIS -11 HE1 HIS -11 13.236 -22.129 -2.776 52 H HIS -10 HN HIS -10 14.860 -17.876 -8.979 53 HA HIS -10 HA HIS -10 16.384 -16.804 -6.774 54 HB2 HIS -10 HB2 HIS -10 16.198 -15.800 -9.636 55 HB3 HIS -10 HB1 HIS -10 17.351 -15.269 -8.426 56 HD1 HIS -10 HD1 HIS -10 16.903 -17.769 -11.056 57 HD2 HIS -10 HD2 HIS -10 19.216 -17.338 -7.634 58 HE1 HIS -10 HE1 HIS -10 18.770 -19.464 -11.250 59 H HIS -9 HN HIS -9 15.661 -15.263 -5.513 60 HA HIS -9 HA HIS -9 13.137 -14.105 -6.193 61 HB2 HIS -9 HB2 HIS -9 13.186 -13.065 -3.885 62 HB3 HIS -9 HB1 HIS -9 13.216 -14.814 -3.918 63 HD1 HIS -9 HD1 HIS -9 15.221 -15.960 -2.763 64 HD2 HIS -9 HD2 HIS -9 15.575 -11.822 -3.008 65 HE1 HIS -9 HE1 HIS -9 17.146 -15.330 -1.276 66 H HIS -8 HN HIS -8 13.104 -12.612 -7.545 67 HA HIS -8 HA HIS -8 15.210 -10.620 -7.672 68 HB2 HIS -8 HB2 HIS -8 12.724 -10.950 -9.375 69 HB3 HIS -8 HB1 HIS -8 14.014 -9.794 -9.677 70 HD1 HIS -8 HD1 HIS -8 12.921 -12.768 -11.107 71 HD2 HIS -8 HD2 HIS -8 16.619 -11.535 -9.655 72 HE1 HIS -8 HE1 HIS -8 14.635 -14.216 -12.229 73 H HIS -7 HN HIS -7 12.118 -11.072 -6.439 74 HA HIS -7 HA HIS -7 11.701 -8.217 -5.982 75 HB2 HIS -7 HB2 HIS -7 9.799 -10.563 -5.681 76 HB3 HIS -7 HB1 HIS -7 9.373 -8.879 -5.388 77 HD1 HIS -7 HD1 HIS -7 9.823 -11.364 -8.134 78 HD2 HIS -7 HD2 HIS -7 9.239 -7.263 -7.729 79 HE1 HIS -7 HE1 HIS -7 9.207 -10.513 -10.424 80 H MET -6 HN MET -6 10.148 -8.373 -3.605 81 HA MET -6 HA MET -6 12.393 -8.812 -1.786 82 HB2 MET -6 HB2 MET -6 9.811 -7.289 -1.443 83 HB3 MET -6 HB1 MET -6 11.095 -7.387 -0.246 84 HG2 MET -6 HG2 MET -6 11.316 -6.164 -2.986 85 HG3 MET -6 HG1 MET -6 11.164 -5.279 -1.472 86 HE1 MET -6 HE1 MET -6 13.302 -3.847 -2.096 87 HE2 MET -6 HE2 MET -6 13.451 -4.735 -3.616 88 HE3 MET -6 HE3 MET -6 14.852 -4.552 -2.562 89 H SER -5 HN SER -5 10.767 -11.013 -2.780 90 HA SER -5 HA SER -5 9.601 -12.866 -2.126 91 HB2 SER -5 HB2 SER -5 10.612 -12.047 0.630 92 HB3 SER -5 HB1 SER -5 9.983 -13.643 0.208 93 HG SER -5 HG SER -5 12.455 -12.594 -0.185 94 H ASP -4 HN ASP -4 8.192 -10.642 -2.540 95 HA ASP -4 HA ASP -4 6.581 -9.609 -0.551 96 HB2 ASP -4 HB2 ASP -4 6.155 -9.724 -3.516 97 HB3 ASP -4 HB1 ASP -4 5.179 -8.763 -2.410 98 H ASP -3 HN ASP -3 6.150 -12.437 -2.378 99 HA ASP -3 HA ASP -3 3.333 -12.622 -1.620 100 HB2 ASP -3 HB2 ASP -3 4.022 -13.505 -3.858 101 HB3 ASP -3 HB1 ASP -3 4.994 -14.723 -3.042 102 H ASP -2 HN ASP -2 6.355 -13.655 -0.465 103 HA ASP -2 HA ASP -2 5.634 -16.015 0.896 104 HB2 ASP -2 HB2 ASP -2 7.970 -15.476 0.489 105 HB3 ASP -2 HB1 ASP -2 7.855 -14.069 1.544 106 H ASP -1 HN ASP -1 5.726 -12.672 2.028 107 HA ASP -1 HA ASP -1 4.487 -13.543 4.557 108 HB2 ASP -1 HB2 ASP -1 6.411 -11.824 4.472 109 HB3 ASP -1 HB1 ASP -1 5.215 -10.705 3.833 110 H LYS 0 HN LYS 0 2.475 -13.628 4.693 111 HA LYS 0 HA LYS 0 0.826 -11.796 3.148 112 HB2 LYS 0 HB2 LYS 0 0.205 -14.671 3.892 113 HB3 LYS 0 HB1 LYS 0 -0.928 -13.562 3.138 114 HG2 LYS 0 HG2 LYS 0 0.539 -13.439 1.171 115 HG3 LYS 0 HG1 LYS 0 1.630 -14.598 1.923 116 HD2 LYS 0 HD2 LYS 0 -0.150 -16.274 1.940 117 HD3 LYS 0 HD1 LYS 0 -1.276 -15.101 1.259 118 HE2 LYS 0 HE2 LYS 0 -0.478 -16.600 -0.486 119 HE3 LYS 0 HE1 LYS 0 0.122 -14.971 -0.777 120 HZ1 LYS 0 HZ1 LYS 0 1.671 -17.238 0.379 121 HZ2 LYS 0 HZ2 LYS 0 2.232 -15.662 0.224 122 HZ3 LYS 0 HZ3 LYS 0 1.903 -16.529 -1.143 123 H GLY 1 HN GLY 1 0.998 -10.427 4.862 124 HA2 GLY 1 HA2 GLY 1 0.364 -10.871 7.526 125 HA3 GLY 1 HA1 GLY 1 0.067 -9.362 6.681 126 H ILE 2 HN ILE 2 -1.969 -9.031 5.686 127 HA ILE 2 HA ILE 2 -4.067 -10.792 6.755 128 HB ILE 2 HB ILE 2 -4.291 -7.854 6.005 129 HG12 ILE 2 HG12 ILE 2 -4.242 -9.138 8.751 130 HG13 ILE 2 HG11 ILE 2 -2.942 -8.187 8.047 131 HG21 ILE 2 HG21 ILE 2 -6.530 -7.930 6.942 132 HG22 ILE 2 HG22 ILE 2 -6.309 -9.605 7.417 133 HG23 ILE 2 HG23 ILE 2 -6.384 -9.184 5.707 134 HD11 ILE 2 HD11 ILE 2 -4.512 -6.237 8.000 135 HD12 ILE 2 HD12 ILE 2 -4.107 -6.824 9.603 136 HD13 ILE 2 HD13 ILE 2 -5.670 -7.230 8.895 137 H HIS 3 HN HIS 3 -5.290 -11.794 5.195 138 HA HIS 3 HA HIS 3 -5.022 -10.653 2.535 139 HB2 HIS 3 HB2 HIS 3 -5.212 -12.891 1.457 140 HB3 HIS 3 HB1 HIS 3 -3.786 -12.746 2.462 141 HD1 HIS 3 HD1 HIS 3 -6.643 -14.946 1.802 142 HD2 HIS 3 HD2 HIS 3 -4.011 -14.240 4.956 143 HE1 HIS 3 HE1 HIS 3 -6.876 -16.889 3.380 144 H SER 4 HN SER 4 -6.615 -9.739 1.918 145 HA SER 4 HA SER 4 -9.335 -10.670 2.541 146 HB2 SER 4 HB2 SER 4 -8.091 -7.974 2.475 147 HB3 SER 4 HB1 SER 4 -9.825 -8.104 2.317 148 HG SER 4 HG SER 4 -8.938 -9.617 4.351 149 H SER 5 HN SER 5 -10.594 -8.744 0.772 150 HA SER 5 HA SER 5 -9.352 -9.156 -1.758 151 HB2 SER 5 HB2 SER 5 -11.546 -10.169 -2.660 152 HB3 SER 5 HB1 SER 5 -10.474 -11.226 -1.751 153 HG SER 5 HG SER 5 -12.144 -11.610 -0.643 154 H VAL 6 HN VAL 6 -10.151 -7.863 -3.365 155 HA VAL 6 HA VAL 6 -11.286 -5.362 -2.476 156 HB VAL 6 HB VAL 6 -10.766 -6.302 -5.304 157 HG11 VAL 6 HG11 VAL 6 -10.648 -3.925 -5.852 158 HG12 VAL 6 HG12 VAL 6 -11.049 -3.511 -4.186 159 HG13 VAL 6 HG13 VAL 6 -12.224 -4.361 -5.194 160 HG21 VAL 6 HG21 VAL 6 -9.016 -4.850 -3.385 161 HG22 VAL 6 HG22 VAL 6 -8.657 -5.075 -5.110 162 HG23 VAL 6 HG23 VAL 6 -8.782 -6.479 -4.028 163 H LYS 7 HN LYS 7 -13.431 -5.027 -2.321 164 HA LYS 7 HA LYS 7 -15.125 -6.792 -3.927 165 HB2 LYS 7 HB2 LYS 7 -15.680 -5.342 -1.355 166 HB3 LYS 7 HB1 LYS 7 -16.841 -6.351 -2.260 167 HG2 LYS 7 HG2 LYS 7 -14.273 -7.344 -1.058 168 HG3 LYS 7 HG1 LYS 7 -15.832 -7.402 -0.235 169 HD2 LYS 7 HD2 LYS 7 -16.710 -8.723 -2.149 170 HD3 LYS 7 HD1 LYS 7 -15.079 -8.777 -2.816 171 HE2 LYS 7 HE2 LYS 7 -14.259 -9.952 -0.884 172 HE3 LYS 7 HE1 LYS 7 -15.796 -9.743 -0.054 173 HZ1 LYS 7 HZ1 LYS 7 -15.308 -11.444 -2.462 174 HZ2 LYS 7 HZ2 LYS 7 -16.818 -11.146 -1.774 175 HZ3 LYS 7 HZ3 LYS 7 -15.648 -11.959 -0.898 176 H ARG 8 HN ARG 8 -17.307 -5.574 -4.375 177 HA ARG 8 HA ARG 8 -16.479 -2.956 -5.395 178 HB2 ARG 8 HB2 ARG 8 -17.067 -4.589 -7.115 179 HB3 ARG 8 HB1 ARG 8 -18.694 -4.672 -6.438 180 HG2 ARG 8 HG2 ARG 8 -19.047 -2.337 -6.912 181 HG3 ARG 8 HG1 ARG 8 -17.400 -2.195 -7.534 182 HD2 ARG 8 HD2 ARG 8 -19.277 -4.180 -8.513 183 HD3 ARG 8 HD1 ARG 8 -19.351 -2.545 -9.213 184 HE ARG 8 HE ARG 8 -16.788 -3.192 -9.580 185 HH11 ARG 8 HH11 ARG 8 -19.618 -5.298 -10.090 186 HH12 ARG 8 HH12 ARG 8 -18.954 -6.076 -11.444 187 HH21 ARG 8 HH21 ARG 8 -15.909 -4.285 -11.446 188 HH22 ARG 8 HH22 ARG 8 -16.822 -5.506 -12.219 189 H TRP 9 HN TRP 9 -17.255 -1.295 -4.392 190 HA TRP 9 HA TRP 9 -19.784 -1.441 -2.927 191 HB2 TRP 9 HB2 TRP 9 -17.789 -0.821 -1.642 192 HB3 TRP 9 HB1 TRP 9 -17.398 0.407 -2.790 193 HD1 TRP 9 HD1 TRP 9 -21.019 0.306 -1.606 194 HE1 TRP 9 HE1 TRP 9 -21.411 2.253 -0.024 195 HE3 TRP 9 HE3 TRP 9 -16.145 2.074 -0.994 196 HZ2 TRP 9 HZ2 TRP 9 -20.033 4.256 1.198 197 HZ3 TRP 9 HZ3 TRP 9 -15.856 3.976 0.336 198 HH2 TRP 9 HH2 TRP 9 -17.816 5.083 1.471 199 H GLY 10 HN GLY 10 -21.291 -0.978 -4.487 200 HA2 GLY 10 HA2 GLY 10 -22.474 0.307 -5.962 201 HA3 GLY 10 HA1 GLY 10 -21.362 1.636 -5.610 202 H ASN 11 HN ASN 11 -20.368 2.291 -7.404 203 HA ASN 11 HA ASN 11 -19.474 0.203 -9.267 204 HB2 ASN 11 HB2 ASN 11 -19.247 1.937 -10.947 205 HB3 ASN 11 HB1 ASN 11 -20.846 2.051 -10.223 206 HD21 ASN 11 HD21 ASN 11 -19.236 3.994 -11.656 207 HD22 ASN 11 HD22 ASN 11 -19.082 5.368 -10.638 208 H SER 12 HN SER 12 -18.047 0.809 -6.651 209 HA SER 12 HA SER 12 -15.596 1.780 -7.795 210 HB2 SER 12 HB2 SER 12 -16.644 3.584 -6.457 211 HB3 SER 12 HB1 SER 12 -16.813 2.456 -5.119 212 HG SER 12 HG SER 12 -14.258 2.475 -5.905 213 HA PRO 13 HA PRO 13 -14.337 -2.110 -5.891 214 HB2 PRO 13 HB2 PRO 13 -11.651 -1.139 -6.437 215 HB3 PRO 13 HB1 PRO 13 -12.456 -2.556 -7.092 216 HG2 PRO 13 HG2 PRO 13 -11.884 -0.219 -8.481 217 HG3 PRO 13 HG1 PRO 13 -13.016 -1.479 -8.998 218 HD2 PRO 13 HD2 PRO 13 -13.582 1.216 -7.962 219 HD3 PRO 13 HD1 PRO 13 -14.638 0.074 -8.801 220 H ALA 14 HN ALA 14 -14.049 -2.233 -3.765 221 HA ALA 14 HA ALA 14 -12.758 -0.011 -2.368 222 HB1 ALA 14 HB1 ALA 14 -14.488 -0.400 -0.612 223 HB2 ALA 14 HB2 ALA 14 -15.367 -1.379 -1.793 224 HB3 ALA 14 HB3 ALA 14 -15.051 0.329 -2.104 225 H VAL 15 HN VAL 15 -11.404 -0.610 -0.817 226 HA VAL 15 HA VAL 15 -11.143 -3.470 -0.226 227 HB VAL 15 HB VAL 15 -9.047 -1.288 0.125 228 HG11 VAL 15 HG11 VAL 15 -7.496 -3.221 0.524 229 HG12 VAL 15 HG12 VAL 15 -8.912 -4.277 0.609 230 HG13 VAL 15 HG13 VAL 15 -8.697 -2.985 1.783 231 HG21 VAL 15 HG21 VAL 15 -9.435 -1.805 -2.224 232 HG22 VAL 15 HG22 VAL 15 -9.221 -3.523 -1.883 233 HG23 VAL 15 HG23 VAL 15 -7.860 -2.414 -1.706 234 H ARG 16 HN ARG 16 -11.503 -4.147 1.764 235 HA ARG 16 HA ARG 16 -12.603 -2.304 3.639 236 HB2 ARG 16 HB2 ARG 16 -12.234 -5.271 3.660 237 HB3 ARG 16 HB1 ARG 16 -12.916 -4.391 5.031 238 HG2 ARG 16 HG2 ARG 16 -14.586 -3.502 3.550 239 HG3 ARG 16 HG1 ARG 16 -14.005 -4.485 2.226 240 HD2 ARG 16 HD2 ARG 16 -15.865 -5.542 3.217 241 HD3 ARG 16 HD1 ARG 16 -14.428 -6.493 3.619 242 HE ARG 16 HE ARG 16 -15.014 -4.589 5.633 243 HH11 ARG 16 HH11 ARG 16 -16.176 -7.661 4.353 244 HH12 ARG 16 HH12 ARG 16 -16.778 -8.251 5.833 245 HH21 ARG 16 HH21 ARG 16 -15.858 -5.415 7.756 246 HH22 ARG 16 HH22 ARG 16 -16.575 -6.948 7.787 247 H ILE 17 HN ILE 17 -11.458 -1.270 5.095 248 HA ILE 17 HA ILE 17 -8.854 -2.323 5.910 249 HB ILE 17 HB ILE 17 -10.127 0.340 6.615 250 HG12 ILE 17 HG12 ILE 17 -9.767 0.409 4.252 251 HG13 ILE 17 HG11 ILE 17 -8.529 1.383 5.010 252 HG21 ILE 17 HG21 ILE 17 -7.320 -0.665 6.988 253 HG22 ILE 17 HG22 ILE 17 -8.477 -0.203 8.241 254 HG23 ILE 17 HG23 ILE 17 -7.785 1.019 7.179 255 HD11 ILE 17 HD11 ILE 17 -7.568 0.179 3.224 256 HD12 ILE 17 HD12 ILE 17 -8.251 -1.337 3.790 257 HD13 ILE 17 HD13 ILE 17 -6.961 -0.558 4.718 258 HA PRO 18 HA PRO 18 -10.999 -3.806 9.588 259 HB2 PRO 18 HB2 PRO 18 -8.300 -3.802 10.802 260 HB3 PRO 18 HB1 PRO 18 -9.439 -5.134 10.624 261 HG2 PRO 18 HG2 PRO 18 -7.205 -4.976 9.135 262 HG3 PRO 18 HG1 PRO 18 -8.712 -5.668 8.511 263 HD2 PRO 18 HD2 PRO 18 -7.481 -3.004 7.980 264 HD3 PRO 18 HD1 PRO 18 -8.406 -4.068 6.896 265 H ALA 19 HN ALA 19 -11.864 -2.620 11.196 266 HA ALA 19 HA ALA 19 -11.257 0.089 11.580 267 HB1 ALA 19 HB1 ALA 19 -12.769 -1.765 13.430 268 HB2 ALA 19 HB2 ALA 19 -13.461 -0.880 12.072 269 HB3 ALA 19 HB3 ALA 19 -12.823 -0.002 13.462 270 H THR 20 HN THR 20 -10.092 -2.777 13.074 271 HA THR 20 HA THR 20 -8.849 -1.830 15.367 272 HB THR 20 HB THR 20 -7.817 -3.960 13.493 273 HG1 THR 20 HG1 THR 20 -9.846 -4.064 15.475 274 HG21 THR 20 HG21 THR 20 -7.078 -5.037 15.571 275 HG22 THR 20 HG22 THR 20 -7.768 -3.714 16.509 276 HG23 THR 20 HG23 THR 20 -6.392 -3.415 15.449 277 H LEU 21 HN LEU 21 -7.696 -1.966 11.989 278 HA LEU 21 HA LEU 21 -5.093 -0.934 12.574 279 HB2 LEU 21 HB2 LEU 21 -6.585 -1.653 10.127 280 HB3 LEU 21 HB1 LEU 21 -5.235 -0.552 9.960 281 HG LEU 21 HG LEU 21 -4.800 -2.925 9.541 282 HD11 LEU 21 HD11 LEU 21 -3.244 -1.586 11.791 283 HD12 LEU 21 HD12 LEU 21 -2.969 -1.346 10.068 284 HD13 LEU 21 HD13 LEU 21 -2.611 -2.907 10.810 285 HD21 LEU 21 HD21 LEU 21 -5.125 -3.087 12.501 286 HD22 LEU 21 HD22 LEU 21 -4.375 -4.378 11.542 287 HD23 LEU 21 HD23 LEU 21 -6.083 -3.952 11.298 288 H MET 22 HN MET 22 -8.011 0.285 11.395 289 HA MET 22 HA MET 22 -7.380 2.940 10.807 290 HB2 MET 22 HB2 MET 22 -9.799 1.930 12.305 291 HB3 MET 22 HB1 MET 22 -9.676 3.537 11.622 292 HG2 MET 22 HG2 MET 22 -9.507 1.011 9.998 293 HG3 MET 22 HG1 MET 22 -11.004 1.889 10.305 294 HE1 MET 22 HE1 MET 22 -11.569 4.221 9.439 295 HE2 MET 22 HE2 MET 22 -10.448 5.259 8.552 296 HE3 MET 22 HE3 MET 22 -10.134 4.859 10.241 297 H GLN 23 HN GLN 23 -8.369 1.677 13.861 298 HA GLN 23 HA GLN 23 -7.780 3.858 15.505 299 HB2 GLN 23 HB2 GLN 23 -7.817 0.909 16.071 300 HB3 GLN 23 HB1 GLN 23 -7.698 2.152 17.311 301 HG2 GLN 23 HG2 GLN 23 -9.757 3.039 16.729 302 HG3 GLN 23 HG1 GLN 23 -9.913 2.002 15.317 303 HE21 GLN 23 HE21 GLN 23 -10.352 -0.120 15.568 304 HE22 GLN 23 HE22 GLN 23 -11.030 -0.812 16.992 305 H ALA 24 HN ALA 24 -5.802 1.269 14.306 306 HA ALA 24 HA ALA 24 -3.631 1.702 16.160 307 HB1 ALA 24 HB1 ALA 24 -2.393 0.055 14.889 308 HB2 ALA 24 HB2 ALA 24 -3.560 0.163 13.576 309 HB3 ALA 24 HB3 ALA 24 -4.051 -0.506 15.134 310 H LEU 25 HN LEU 25 -4.416 2.905 13.046 311 HA LEU 25 HA LEU 25 -1.788 4.133 12.826 312 HB2 LEU 25 HB2 LEU 25 -3.934 3.578 10.840 313 HB3 LEU 25 HB1 LEU 25 -2.531 4.572 10.465 314 HG LEU 25 HG LEU 25 -2.160 1.807 11.575 315 HD11 LEU 25 HD11 LEU 25 -2.368 2.552 8.703 316 HD12 LEU 25 HD12 LEU 25 -3.675 1.774 9.604 317 HD13 LEU 25 HD13 LEU 25 -2.137 0.930 9.364 318 HD21 LEU 25 HD21 LEU 25 -0.265 3.352 11.485 319 HD22 LEU 25 HD22 LEU 25 -0.567 3.594 9.764 320 HD23 LEU 25 HD23 LEU 25 -0.059 2.013 10.350 321 H ASN 26 HN ASN 26 -4.577 4.881 14.140 322 HA ASN 26 HA ASN 26 -5.436 6.760 15.039 323 HB2 ASN 26 HB2 ASN 26 -2.985 8.098 13.876 324 HB3 ASN 26 HB1 ASN 26 -4.135 8.912 14.924 325 HD21 ASN 26 HD21 ASN 26 -1.501 6.647 14.750 326 HD22 ASN 26 HD22 ASN 26 -1.317 6.439 16.444 327 H LEU 27 HN LEU 27 -6.140 5.988 12.171 328 HA LEU 27 HA LEU 27 -6.969 8.627 11.300 329 HB2 LEU 27 HB2 LEU 27 -7.285 7.777 9.180 330 HB3 LEU 27 HB1 LEU 27 -5.670 7.319 9.661 331 HG LEU 27 HG LEU 27 -7.845 5.306 10.007 332 HD11 LEU 27 HD11 LEU 27 -8.231 6.380 7.856 333 HD12 LEU 27 HD12 LEU 27 -7.781 4.682 7.719 334 HD13 LEU 27 HD13 LEU 27 -6.598 5.942 7.331 335 HD21 LEU 27 HD21 LEU 27 -5.545 4.787 10.653 336 HD22 LEU 27 HD22 LEU 27 -4.998 5.181 9.025 337 HD23 LEU 27 HD23 LEU 27 -6.056 3.799 9.285 338 H ASN 28 HN ASN 28 -9.079 8.875 10.566 339 HA ASN 28 HA ASN 28 -11.003 6.936 11.626 340 HB2 ASN 28 HB2 ASN 28 -11.249 9.969 11.652 341 HB3 ASN 28 HB1 ASN 28 -12.530 8.859 12.103 342 HD21 ASN 28 HD21 ASN 28 -10.532 7.105 13.524 343 HD22 ASN 28 HD22 ASN 28 -10.200 7.919 14.996 344 H ILE 29 HN ILE 29 -13.285 7.934 10.548 345 HA ILE 29 HA ILE 29 -12.839 7.348 7.790 346 HB ILE 29 HB ILE 29 -15.377 8.050 9.295 347 HG12 ILE 29 HG12 ILE 29 -14.414 5.846 9.899 348 HG13 ILE 29 HG11 ILE 29 -15.937 5.676 9.055 349 HG21 ILE 29 HG21 ILE 29 -15.583 8.719 6.950 350 HG22 ILE 29 HG22 ILE 29 -16.640 7.366 7.334 351 HG23 ILE 29 HG23 ILE 29 -15.140 7.088 6.443 352 HD11 ILE 29 HD11 ILE 29 -13.211 5.327 7.817 353 HD12 ILE 29 HD12 ILE 29 -14.766 5.041 7.034 354 HD13 ILE 29 HD13 ILE 29 -14.260 4.037 8.384 355 H ASP 30 HN ASP 30 -12.969 8.611 6.104 356 HA ASP 30 HA ASP 30 -13.061 10.310 4.744 357 HB2 ASP 30 HB2 ASP 30 -15.092 11.128 5.971 358 HB3 ASP 30 HB1 ASP 30 -14.037 12.099 6.993 359 H ASP 31 HN ASP 31 -10.818 9.608 6.618 360 HA ASP 31 HA ASP 31 -9.378 12.101 6.634 361 HB2 ASP 31 HB2 ASP 31 -9.108 10.262 8.443 362 HB3 ASP 31 HB1 ASP 31 -8.201 9.376 7.225 363 H GLU 32 HN GLU 32 -7.984 12.635 5.168 364 HA GLU 32 HA GLU 32 -8.131 11.408 2.643 365 HB2 GLU 32 HB2 GLU 32 -8.057 13.770 2.768 366 HB3 GLU 32 HB1 GLU 32 -6.590 13.769 3.715 367 HG2 GLU 32 HG2 GLU 32 -5.335 13.005 1.833 368 HG3 GLU 32 HG1 GLU 32 -6.810 12.797 0.885 369 H VAL 33 HN VAL 33 -6.691 10.214 1.564 370 HA VAL 33 HA VAL 33 -4.195 9.500 2.905 371 HB VAL 33 HB VAL 33 -4.458 7.175 2.724 372 HG11 VAL 33 HG11 VAL 33 -5.781 8.145 4.492 373 HG12 VAL 33 HG12 VAL 33 -6.443 6.598 3.876 374 HG13 VAL 33 HG13 VAL 33 -7.159 8.140 3.362 375 HG21 VAL 33 HG21 VAL 33 -6.871 7.643 1.004 376 HG22 VAL 33 HG22 VAL 33 -6.387 6.071 1.621 377 HG23 VAL 33 HG23 VAL 33 -5.331 6.932 0.497 378 H LYS 34 HN LYS 34 -2.640 8.814 1.718 379 HA LYS 34 HA LYS 34 -2.792 9.567 -1.115 380 HB2 LYS 34 HB2 LYS 34 -0.372 8.809 0.533 381 HB3 LYS 34 HB1 LYS 34 -0.348 9.391 -1.121 382 HG2 LYS 34 HG2 LYS 34 -1.200 11.537 -0.405 383 HG3 LYS 34 HG1 LYS 34 -1.291 10.977 1.257 384 HD2 LYS 34 HD2 LYS 34 1.205 11.362 -0.408 385 HD3 LYS 34 HD1 LYS 34 0.697 12.310 0.988 386 HE2 LYS 34 HE2 LYS 34 2.205 10.969 2.009 387 HE3 LYS 34 HE1 LYS 34 0.793 9.929 2.147 388 HZ1 LYS 34 HZ1 LYS 34 3.018 9.733 0.201 389 HZ2 LYS 34 HZ2 LYS 34 1.653 8.804 0.000 390 HZ3 LYS 34 HZ3 LYS 34 2.608 8.652 1.413 391 H ILE 35 HN ILE 35 -3.056 8.066 -2.548 392 HA ILE 35 HA ILE 35 -2.287 5.311 -1.930 393 HB ILE 35 HB ILE 35 -4.000 6.332 -4.252 394 HG12 ILE 35 HG12 ILE 35 -5.776 4.804 -3.181 395 HG13 ILE 35 HG11 ILE 35 -4.748 4.822 -1.756 396 HG21 ILE 35 HG21 ILE 35 -4.338 4.037 -4.902 397 HG22 ILE 35 HG22 ILE 35 -3.377 3.481 -3.544 398 HG23 ILE 35 HG23 ILE 35 -2.606 4.386 -4.847 399 HD11 ILE 35 HD11 ILE 35 -6.067 7.181 -3.044 400 HD12 ILE 35 HD12 ILE 35 -4.981 7.244 -1.652 401 HD13 ILE 35 HD13 ILE 35 -6.528 6.398 -1.523 402 H ASP 36 HN ASP 36 -0.228 5.094 -2.423 403 HA ASP 36 HA ASP 36 0.676 6.322 -4.921 404 HB2 ASP 36 HB2 ASP 36 2.309 5.696 -2.426 405 HB3 ASP 36 HB1 ASP 36 2.978 6.285 -3.939 406 H LEU 37 HN LEU 37 1.541 4.942 -6.494 407 HA LEU 37 HA LEU 37 1.224 2.218 -5.932 408 HB2 LEU 37 HB2 LEU 37 0.384 3.588 -7.961 409 HB3 LEU 37 HB1 LEU 37 2.070 3.624 -8.425 410 HG LEU 37 HG LEU 37 0.811 1.963 -9.673 411 HD11 LEU 37 HD11 LEU 37 3.092 1.598 -9.421 412 HD12 LEU 37 HD12 LEU 37 2.273 0.017 -9.259 413 HD13 LEU 37 HD13 LEU 37 2.838 0.930 -7.824 414 HD21 LEU 37 HD21 LEU 37 0.420 0.552 -7.059 415 HD22 LEU 37 HD22 LEU 37 -0.129 0.022 -8.654 416 HD23 LEU 37 HD23 LEU 37 -0.798 1.489 -7.909 417 H VAL 38 HN VAL 38 2.838 1.041 -5.639 418 HA VAL 38 HA VAL 38 5.611 1.806 -6.264 419 HB VAL 38 HB VAL 38 4.851 0.939 -3.440 420 HG11 VAL 38 HG11 VAL 38 7.534 1.711 -4.570 421 HG12 VAL 38 HG12 VAL 38 7.023 0.092 -4.096 422 HG13 VAL 38 HG13 VAL 38 7.201 1.354 -2.874 423 HG21 VAL 38 HG21 VAL 38 5.594 3.167 -2.695 424 HG22 VAL 38 HG22 VAL 38 4.220 3.283 -3.798 425 HG23 VAL 38 HG23 VAL 38 5.845 3.642 -4.375 426 H ASP 39 HN ASP 39 6.370 0.141 -7.370 427 HA ASP 39 HA ASP 39 6.995 -1.906 -8.027 428 HB2 ASP 39 HB2 ASP 39 6.725 -2.409 -5.096 429 HB3 ASP 39 HB1 ASP 39 7.104 -3.740 -6.180 430 H GLY 40 HN GLY 40 4.150 -1.263 -8.045 431 HA2 GLY 40 HA2 GLY 40 2.517 -2.504 -9.264 432 HA3 GLY 40 HA1 GLY 40 3.299 -3.981 -8.724 433 H LYS 41 HN LYS 41 2.865 -1.870 -6.124 434 HA LYS 41 HA LYS 41 0.208 -2.904 -5.684 435 HB2 LYS 41 HB2 LYS 41 0.769 -2.974 -3.156 436 HB3 LYS 41 HB1 LYS 41 1.199 -4.304 -4.198 437 HG2 LYS 41 HG2 LYS 41 3.215 -2.197 -3.568 438 HG3 LYS 41 HG1 LYS 41 2.840 -3.454 -2.383 439 HD2 LYS 41 HD2 LYS 41 3.199 -5.110 -4.277 440 HD3 LYS 41 HD1 LYS 41 3.922 -3.767 -5.161 441 HE2 LYS 41 HE2 LYS 41 5.653 -3.553 -3.596 442 HE3 LYS 41 HE1 LYS 41 4.824 -4.572 -2.415 443 HZ1 LYS 41 HZ1 LYS 41 4.987 -6.375 -4.083 444 HZ2 LYS 41 HZ2 LYS 41 6.423 -5.938 -3.358 445 HZ3 LYS 41 HZ3 LYS 41 6.121 -5.451 -4.952 446 H LEU 42 HN LEU 42 -0.996 -1.867 -3.978 447 HA LEU 42 HA LEU 42 -0.784 0.995 -4.428 448 HB2 LEU 42 HB2 LEU 42 -3.058 -0.742 -3.485 449 HB3 LEU 42 HB1 LEU 42 -3.152 0.996 -3.697 450 HG LEU 42 HG LEU 42 -2.285 -0.646 -5.971 451 HD11 LEU 42 HD11 LEU 42 -5.174 -0.296 -5.073 452 HD12 LEU 42 HD12 LEU 42 -4.305 -1.832 -5.134 453 HD13 LEU 42 HD13 LEU 42 -4.700 -0.978 -6.627 454 HD21 LEU 42 HD21 LEU 42 -3.599 1.046 -7.245 455 HD22 LEU 42 HD22 LEU 42 -2.315 1.766 -6.301 456 HD23 LEU 42 HD23 LEU 42 -3.982 1.841 -5.729 457 H ILE 43 HN ILE 43 0.110 2.005 -3.013 458 HA ILE 43 HA ILE 43 0.186 1.100 -0.245 459 HB ILE 43 HB ILE 43 1.750 3.022 -1.867 460 HG12 ILE 43 HG12 ILE 43 3.712 1.896 -1.066 461 HG13 ILE 43 HG11 ILE 43 2.755 0.953 0.071 462 HG21 ILE 43 HG21 ILE 43 1.287 4.321 0.058 463 HG22 ILE 43 HG22 ILE 43 2.987 3.813 0.132 464 HG23 ILE 43 HG23 ILE 43 1.766 2.989 1.125 465 HD11 ILE 43 HD11 ILE 43 1.661 -0.116 -1.805 466 HD12 ILE 43 HD12 ILE 43 3.412 -0.398 -1.834 467 HD13 ILE 43 HD13 ILE 43 2.671 0.780 -2.941 468 H ILE 44 HN ILE 44 -1.178 1.776 0.939 469 HA ILE 44 HA ILE 44 -2.565 4.354 0.532 470 HB ILE 44 HB ILE 44 -3.548 1.832 1.920 471 HG12 ILE 44 HG12 ILE 44 -5.570 2.144 0.498 472 HG13 ILE 44 HG11 ILE 44 -4.833 3.557 -0.218 473 HG21 ILE 44 HG21 ILE 44 -5.556 3.031 2.694 474 HG22 ILE 44 HG22 ILE 44 -4.821 4.551 2.175 475 HG23 ILE 44 HG23 ILE 44 -4.077 3.607 3.466 476 HD11 ILE 44 HD11 ILE 44 -3.874 0.709 -0.472 477 HD12 ILE 44 HD12 ILE 44 -3.086 2.116 -1.175 478 HD13 ILE 44 HD13 ILE 44 -4.703 1.661 -1.701 479 H GLU 45 HN GLU 45 -1.562 5.861 1.610 480 HA GLU 45 HA GLU 45 -0.822 5.272 4.375 481 HB2 GLU 45 HB2 GLU 45 1.182 5.624 3.096 482 HB3 GLU 45 HB1 GLU 45 0.542 7.120 2.407 483 HG2 GLU 45 HG2 GLU 45 0.747 8.185 4.558 484 HG3 GLU 45 HG1 GLU 45 1.254 6.667 5.296 485 HA PRO 46 HA PRO 46 -3.908 8.445 5.374 486 HB2 PRO 46 HB2 PRO 46 -2.877 8.536 8.000 487 HB3 PRO 46 HB1 PRO 46 -4.284 7.627 7.462 488 HG2 PRO 46 HG2 PRO 46 -1.564 6.857 7.938 489 HG3 PRO 46 HG1 PRO 46 -3.082 5.909 8.051 490 HD2 PRO 46 HD2 PRO 46 -1.223 5.642 6.036 491 HD3 PRO 46 HD1 PRO 46 -2.978 5.352 5.721 492 H VAL 47 HN VAL 47 -3.743 10.436 5.845 493 HA VAL 47 HA VAL 47 -1.046 11.610 5.549 494 HB VAL 47 HB VAL 47 -3.625 13.072 4.956 495 HG11 VAL 47 HG11 VAL 47 -0.810 13.587 4.157 496 HG12 VAL 47 HG12 VAL 47 -1.681 14.480 5.435 497 HG13 VAL 47 HG13 VAL 47 -2.197 14.587 3.728 498 HG21 VAL 47 HG21 VAL 47 -3.490 11.287 3.431 499 HG22 VAL 47 HG22 VAL 47 -1.777 11.635 3.109 500 HG23 VAL 47 HG23 VAL 47 -3.029 12.758 2.557 501 H ARG 48 HN ARG 48 -0.260 12.296 7.299 502 HA ARG 48 HA ARG 48 -1.918 12.813 9.594 503 HB2 ARG 48 HB2 ARG 48 1.074 12.941 9.279 504 HB3 ARG 48 HB1 ARG 48 0.209 13.088 10.800 505 HG2 ARG 48 HG2 ARG 48 -0.640 10.800 10.536 506 HG3 ARG 48 HG1 ARG 48 0.247 10.662 9.013 507 HD2 ARG 48 HD2 ARG 48 1.420 11.134 11.736 508 HD3 ARG 48 HD1 ARG 48 1.485 9.620 10.832 509 HE ARG 48 HE ARG 48 2.570 11.459 9.158 510 HH11 ARG 48 HH11 ARG 48 3.383 10.414 12.412 511 HH12 ARG 48 HH12 ARG 48 5.045 10.746 12.277 512 HH21 ARG 48 HH21 ARG 48 4.747 11.990 8.948 513 HH22 ARG 48 HH22 ARG 48 5.853 11.778 10.235 514 H LYS 49 HN LYS 49 -2.180 14.720 10.629 515 HA LYS 49 HA LYS 49 -1.667 17.059 8.997 516 HB2 LYS 49 HB2 LYS 49 -3.669 16.467 11.166 517 HB3 LYS 49 HB1 LYS 49 -3.326 18.108 10.671 518 HG2 LYS 49 HG2 LYS 49 -5.358 17.252 9.614 519 HG3 LYS 49 HG1 LYS 49 -4.120 17.602 8.413 520 HD2 LYS 49 HD2 LYS 49 -3.597 15.291 8.197 521 HD3 LYS 49 HD1 LYS 49 -4.641 14.869 9.540 522 HE2 LYS 49 HE2 LYS 49 -6.587 15.670 8.207 523 HE3 LYS 49 HE1 LYS 49 -5.498 16.062 6.886 524 HZ1 LYS 49 HZ1 LYS 49 -6.148 13.324 7.915 525 HZ2 LYS 49 HZ2 LYS 49 -4.912 13.628 6.832 526 HZ3 LYS 49 HZ3 LYS 49 -6.501 13.996 6.412 527 H GLU 50 HN GLU 50 0.217 17.671 9.481 528 HA GLU 50 HA GLU 50 0.791 18.447 12.276 529 HB2 GLU 50 HB2 GLU 50 2.482 16.842 11.281 530 HB3 GLU 50 HB1 GLU 50 2.862 18.081 10.100 531 HG2 GLU 50 HG2 GLU 50 3.476 19.591 11.991 532 HG3 GLU 50 HG1 GLU 50 3.295 18.212 13.071 533 H1 ASN -16 HT1 ASN -16 24.052 25.983 15.927 534 H2 ASN -16 HT2 ASN -16 22.741 26.975 16.363 535 H3 ASN -16 HT3 ASN -16 23.117 26.741 14.751 536 HA ASN -16 HA ASN -16 22.514 24.472 14.815 537 HB2 ASN -16 HB2 ASN -16 21.823 25.053 17.708 538 HB3 ASN -16 HB1 ASN -16 21.303 23.614 16.843 539 HD21 ASN -16 HD21 ASN -16 22.891 23.743 19.198 540 HD22 ASN -16 HD22 ASN -16 24.401 23.008 18.829 541 H HIS -15 HN HIS -15 20.402 23.936 14.236 542 HA HIS -15 HA HIS -15 18.565 26.210 14.338 543 HB2 HIS -15 HB2 HIS -15 18.558 23.813 12.464 544 HB3 HIS -15 HB1 HIS -15 17.411 25.142 12.420 545 HD1 HIS -15 HD1 HIS -15 20.047 24.017 10.481 546 HD2 HIS -15 HD2 HIS -15 19.213 27.705 12.206 547 HE1 HIS -15 HE1 HIS -15 21.355 25.717 9.169 548 H LYS -14 HN LYS -14 16.287 25.628 14.641 549 HA LYS -14 HA LYS -14 15.947 23.158 16.187 550 HB2 LYS -14 HB2 LYS -14 14.113 24.424 17.422 551 HB3 LYS -14 HB1 LYS -14 15.761 24.911 17.772 552 HG2 LYS -14 HG2 LYS -14 15.483 26.838 16.255 553 HG3 LYS -14 HG1 LYS -14 13.807 26.356 15.983 554 HD2 LYS -14 HD2 LYS -14 13.259 26.711 18.285 555 HD3 LYS -14 HD1 LYS -14 14.952 26.919 18.711 556 HE2 LYS -14 HE2 LYS -14 13.825 29.065 18.642 557 HE3 LYS -14 HE1 LYS -14 15.043 28.966 17.376 558 HZ1 LYS -14 HZ1 LYS -14 13.223 28.513 15.778 559 HZ2 LYS -14 HZ2 LYS -14 13.054 29.977 16.578 560 HZ3 LYS -14 HZ3 LYS -14 12.103 28.683 17.040 561 H VAL -13 HN VAL -13 15.549 23.995 13.351 562 HA VAL -13 HA VAL -13 12.702 23.505 12.990 563 HB VAL -13 HB VAL -13 14.854 24.044 10.919 564 HG11 VAL -13 HG11 VAL -13 11.845 24.040 10.647 565 HG12 VAL -13 HG12 VAL -13 12.950 22.835 9.991 566 HG13 VAL -13 HG13 VAL -13 12.990 24.488 9.380 567 HG21 VAL -13 HG21 VAL -13 12.807 25.927 12.088 568 HG22 VAL -13 HG22 VAL -13 13.934 26.313 10.784 569 HG23 VAL -13 HG23 VAL -13 14.539 25.959 12.401 570 H HIS -12 HN HIS -12 11.981 21.524 12.543 571 HA HIS -12 HA HIS -12 13.897 19.386 12.301 572 HB2 HIS -12 HB2 HIS -12 10.868 19.305 12.428 573 HB3 HIS -12 HB1 HIS -12 11.900 17.886 12.396 574 HD1 HIS -12 HD1 HIS -12 10.106 19.896 14.744 575 HD2 HIS -12 HD2 HIS -12 13.834 18.042 14.713 576 HE1 HIS -12 HE1 HIS -12 10.811 19.694 17.149 577 H HIS -11 HN HIS -11 14.768 19.795 10.329 578 HA HIS -11 HA HIS -11 12.975 19.637 8.006 579 HB2 HIS -11 HB2 HIS -11 14.330 21.699 8.181 580 HB3 HIS -11 HB1 HIS -11 15.798 20.732 8.203 581 HD1 HIS -11 HD1 HIS -11 13.046 21.855 5.881 582 HD2 HIS -11 HD2 HIS -11 16.731 19.957 5.740 583 HE1 HIS -11 HE1 HIS -11 13.648 21.671 3.439 584 H HIS -10 HN HIS -10 15.149 17.786 9.761 585 HA HIS -10 HA HIS -10 16.533 16.569 7.576 586 HB2 HIS -10 HB2 HIS -10 16.385 15.692 10.475 587 HB3 HIS -10 HB1 HIS -10 17.505 15.074 9.270 588 HD1 HIS -10 HD1 HIS -10 17.472 17.439 11.945 589 HD2 HIS -10 HD2 HIS -10 19.058 17.385 8.106 590 HE1 HIS -10 HE1 HIS -10 19.241 19.220 11.896 591 H HIS -9 HN HIS -9 15.820 15.077 6.312 592 HA HIS -9 HA HIS -9 13.303 13.900 6.926 593 HB2 HIS -9 HB2 HIS -9 13.389 12.906 4.610 594 HB3 HIS -9 HB1 HIS -9 13.451 14.655 4.669 595 HD1 HIS -9 HD1 HIS -9 15.642 15.791 3.716 596 HD2 HIS -9 HD2 HIS -9 15.672 11.626 3.634 597 HE1 HIS -9 HE1 HIS -9 17.518 15.136 2.201 598 H HIS -8 HN HIS -8 13.330 12.478 8.371 599 HA HIS -8 HA HIS -8 15.272 10.325 8.383 600 HB2 HIS -8 HB2 HIS -8 12.934 10.879 10.234 601 HB3 HIS -8 HB1 HIS -8 14.130 9.610 10.465 602 HD1 HIS -8 HD1 HIS -8 13.402 12.646 11.956 603 HD2 HIS -8 HD2 HIS -8 16.869 11.135 10.244 604 HE1 HIS -8 HE1 HIS -8 15.300 13.949 12.963 605 H HIS -7 HN HIS -7 12.296 11.023 7.051 606 HA HIS -7 HA HIS -7 11.698 8.189 6.666 607 HB2 HIS -7 HB2 HIS -7 9.846 10.592 6.464 608 HB3 HIS -7 HB1 HIS -7 9.383 8.932 6.108 609 HD1 HIS -7 HD1 HIS -7 9.368 11.311 8.851 610 HD2 HIS -7 HD2 HIS -7 9.737 7.187 8.468 611 HE1 HIS -7 HE1 HIS -7 8.931 10.348 11.138 612 H MET -6 HN MET -6 10.220 8.286 4.327 613 HA MET -6 HA MET -6 12.468 8.778 2.529 614 HB2 MET -6 HB2 MET -6 9.917 7.212 2.148 615 HB3 MET -6 HB1 MET -6 11.206 7.342 0.961 616 HG2 MET -6 HG2 MET -6 11.389 6.083 3.685 617 HG3 MET -6 HG1 MET -6 11.354 5.244 2.137 618 HE1 MET -6 HE1 MET -6 13.489 3.903 2.816 619 HE2 MET -6 HE2 MET -6 13.559 4.736 4.368 620 HE3 MET -6 HE3 MET -6 15.002 4.625 3.359 621 H SER -5 HN SER -5 10.995 11.017 3.423 622 HA SER -5 HA SER -5 9.820 12.874 2.742 623 HB2 SER -5 HB2 SER -5 10.790 11.944 0.011 624 HB3 SER -5 HB1 SER -5 10.259 13.579 0.409 625 HG SER -5 HG SER -5 12.590 12.218 1.074 626 H ASP -4 HN ASP -4 8.306 10.728 3.232 627 HA ASP -4 HA ASP -4 6.724 9.662 1.199 628 HB2 ASP -4 HB2 ASP -4 6.197 9.868 4.158 629 HB3 ASP -4 HB1 ASP -4 5.238 8.898 3.051 630 H ASP -3 HN ASP -3 6.421 12.529 2.958 631 HA ASP -3 HA ASP -3 3.651 12.977 2.208 632 HB2 ASP -3 HB2 ASP -3 4.290 13.936 4.301 633 HB3 ASP -3 HB1 ASP -3 5.650 14.783 3.575 634 H ASP -2 HN ASP -2 6.733 13.693 0.909 635 HA ASP -2 HA ASP -2 6.135 16.008 -0.594 636 HB2 ASP -2 HB2 ASP -2 8.447 15.386 -0.235 637 HB3 ASP -2 HB1 ASP -2 8.208 13.867 -1.085 638 H ASP -1 HN ASP -1 5.918 12.604 -1.406 639 HA ASP -1 HA ASP -1 4.747 13.347 -3.991 640 HB2 ASP -1 HB2 ASP -1 6.635 11.740 -3.999 641 HB3 ASP -1 HB1 ASP -1 5.656 10.640 -3.036 642 H LYS 0 HN LYS 0 2.774 13.420 -4.223 643 HA LYS 0 HA LYS 0 1.043 11.690 -2.647 644 HB2 LYS 0 HB2 LYS 0 0.472 14.553 -3.483 645 HB3 LYS 0 HB1 LYS 0 -0.680 13.481 -2.713 646 HG2 LYS 0 HG2 LYS 0 0.749 13.397 -0.717 647 HG3 LYS 0 HG1 LYS 0 1.871 14.517 -1.489 648 HD2 LYS 0 HD2 LYS 0 0.156 16.233 -1.552 649 HD3 LYS 0 HD1 LYS 0 -1.041 15.095 -0.937 650 HE2 LYS 0 HE2 LYS 0 -0.311 16.540 0.859 651 HE3 LYS 0 HE1 LYS 0 0.253 14.900 1.157 652 HZ1 LYS 0 HZ1 LYS 0 1.867 17.202 0.187 653 HZ2 LYS 0 HZ2 LYS 0 2.446 15.625 0.247 654 HZ3 LYS 0 HZ3 LYS 0 1.996 16.382 1.660 655 H GLY 1 HN GLY 1 1.218 10.273 -4.318 656 HA2 GLY 1 HA2 GLY 1 0.752 10.715 -7.023 657 HA3 GLY 1 HA1 GLY 1 0.402 9.208 -6.193 658 H ILE 2 HN ILE 2 -1.663 9.302 -4.875 659 HA ILE 2 HA ILE 2 -3.731 10.920 -6.188 660 HB ILE 2 HB ILE 2 -3.915 7.948 -5.531 661 HG12 ILE 2 HG12 ILE 2 -4.099 9.321 -8.230 662 HG13 ILE 2 HG11 ILE 2 -2.693 8.455 -7.635 663 HG21 ILE 2 HG21 ILE 2 -6.039 8.935 -5.027 664 HG22 ILE 2 HG22 ILE 2 -6.204 8.095 -6.575 665 HG23 ILE 2 HG23 ILE 2 -6.034 9.845 -6.529 666 HD11 ILE 2 HD11 ILE 2 -5.397 7.203 -8.079 667 HD12 ILE 2 HD12 ILE 2 -3.890 6.365 -7.682 668 HD13 ILE 2 HD13 ILE 2 -4.076 7.173 -9.236 669 H HIS 3 HN HIS 3 -4.999 11.905 -4.650 670 HA HIS 3 HA HIS 3 -4.794 10.743 -2.006 671 HB2 HIS 3 HB2 HIS 3 -4.972 12.997 -0.932 672 HB3 HIS 3 HB1 HIS 3 -3.504 12.775 -1.855 673 HD1 HIS 3 HD1 HIS 3 -6.280 15.117 -1.363 674 HD2 HIS 3 HD2 HIS 3 -3.527 14.249 -4.373 675 HE1 HIS 3 HE1 HIS 3 -6.289 17.080 -2.922 676 H SER 4 HN SER 4 -6.412 9.848 -1.442 677 HA SER 4 HA SER 4 -9.107 10.822 -2.129 678 HB2 SER 4 HB2 SER 4 -7.953 8.095 -1.808 679 HB3 SER 4 HB1 SER 4 -9.675 8.310 -1.819 680 HG SER 4 HG SER 4 -8.192 9.500 -3.877 681 H SER 5 HN SER 5 -10.406 8.952 -0.289 682 HA SER 5 HA SER 5 -9.237 9.480 2.253 683 HB2 SER 5 HB2 SER 5 -11.481 10.473 3.010 684 HB3 SER 5 HB1 SER 5 -10.423 11.520 2.066 685 HG SER 5 HG SER 5 -11.986 11.720 0.754 686 H VAL 6 HN VAL 6 -10.073 8.139 3.837 687 HA VAL 6 HA VAL 6 -11.197 5.656 2.886 688 HB VAL 6 HB VAL 6 -10.733 6.572 5.735 689 HG11 VAL 6 HG11 VAL 6 -10.666 4.195 6.278 690 HG12 VAL 6 HG12 VAL 6 -11.026 3.788 4.602 691 HG13 VAL 6 HG13 VAL 6 -12.217 4.650 5.581 692 HG21 VAL 6 HG21 VAL 6 -8.969 5.109 3.840 693 HG22 VAL 6 HG22 VAL 6 -8.637 5.311 5.578 694 HG23 VAL 6 HG23 VAL 6 -8.723 6.728 4.510 695 H LYS 7 HN LYS 7 -13.348 5.345 2.675 696 HA LYS 7 HA LYS 7 -15.037 7.167 4.220 697 HB2 LYS 7 HB2 LYS 7 -15.583 5.674 1.677 698 HB3 LYS 7 HB1 LYS 7 -16.734 6.731 2.545 699 HG2 LYS 7 HG2 LYS 7 -14.137 7.641 1.345 700 HG3 LYS 7 HG1 LYS 7 -15.676 7.700 0.494 701 HD2 LYS 7 HD2 LYS 7 -16.557 9.096 2.375 702 HD3 LYS 7 HD1 LYS 7 -14.916 9.154 3.023 703 HE2 LYS 7 HE2 LYS 7 -14.097 10.195 1.007 704 HE3 LYS 7 HE1 LYS 7 -15.676 10.037 0.248 705 HZ1 LYS 7 HZ1 LYS 7 -15.035 11.760 2.598 706 HZ2 LYS 7 HZ2 LYS 7 -16.556 11.592 1.897 707 HZ3 LYS 7 HZ3 LYS 7 -15.295 12.256 1.013 708 H ARG 8 HN ARG 8 -17.279 5.988 4.592 709 HA ARG 8 HA ARG 8 -16.515 3.400 5.686 710 HB2 ARG 8 HB2 ARG 8 -17.079 4.920 7.429 711 HB3 ARG 8 HB1 ARG 8 -18.627 5.306 6.671 712 HG2 ARG 8 HG2 ARG 8 -19.385 3.040 7.068 713 HG3 ARG 8 HG1 ARG 8 -17.811 2.614 7.730 714 HD2 ARG 8 HD2 ARG 8 -19.508 4.797 8.848 715 HD3 ARG 8 HD1 ARG 8 -19.646 3.123 9.392 716 HE ARG 8 HE ARG 8 -17.093 3.471 9.759 717 HH11 ARG 8 HH11 ARG 8 -19.623 5.854 10.458 718 HH12 ARG 8 HH12 ARG 8 -18.865 6.476 11.845 719 HH21 ARG 8 HH21 ARG 8 -16.022 4.374 11.694 720 HH22 ARG 8 HH22 ARG 8 -16.803 5.606 12.551 721 H TRP 9 HN TRP 9 -17.316 1.714 4.735 722 HA TRP 9 HA TRP 9 -19.796 1.865 3.186 723 HB2 TRP 9 HB2 TRP 9 -17.749 1.201 1.983 724 HB3 TRP 9 HB1 TRP 9 -17.457 -0.044 3.141 725 HD1 TRP 9 HD1 TRP 9 -21.036 0.150 1.918 726 HE1 TRP 9 HE1 TRP 9 -21.460 -1.767 0.308 727 HE3 TRP 9 HE3 TRP 9 -16.201 -1.680 1.284 728 HZ2 TRP 9 HZ2 TRP 9 -20.114 -3.788 -0.947 729 HZ3 TRP 9 HZ3 TRP 9 -15.937 -3.583 -0.085 730 HH2 TRP 9 HH2 TRP 9 -17.906 -4.641 -1.232 731 H GLY 10 HN GLY 10 -21.299 1.502 4.777 732 HA2 GLY 10 HA2 GLY 10 -22.572 0.233 6.206 733 HA3 GLY 10 HA1 GLY 10 -21.500 -1.133 5.865 734 H ASN 11 HN ASN 11 -20.635 -1.839 7.720 735 HA ASN 11 HA ASN 11 -19.767 0.163 9.674 736 HB2 ASN 11 HB2 ASN 11 -19.527 -1.647 11.247 737 HB3 ASN 11 HB1 ASN 11 -21.075 -1.839 10.438 738 HD21 ASN 11 HD21 ASN 11 -19.368 -3.767 11.827 739 HD22 ASN 11 HD22 ASN 11 -19.048 -5.047 10.713 740 H SER 12 HN SER 12 -18.234 -0.539 6.951 741 HA SER 12 HA SER 12 -15.806 -1.387 8.227 742 HB2 SER 12 HB2 SER 12 -16.775 -3.230 6.896 743 HB3 SER 12 HB1 SER 12 -16.952 -2.112 5.551 744 HG SER 12 HG SER 12 -14.471 -1.926 5.996 745 HA PRO 13 HA PRO 13 -14.423 2.431 6.245 746 HB2 PRO 13 HB2 PRO 13 -11.770 1.366 6.790 747 HB3 PRO 13 HB1 PRO 13 -12.512 2.827 7.427 748 HG2 PRO 13 HG2 PRO 13 -12.019 0.510 8.859 749 HG3 PRO 13 HG1 PRO 13 -13.134 1.799 9.341 750 HD2 PRO 13 HD2 PRO 13 -13.757 -0.905 8.324 751 HD3 PRO 13 HD1 PRO 13 -14.774 0.265 9.171 752 H ALA 14 HN ALA 14 -14.043 2.565 4.103 753 HA ALA 14 HA ALA 14 -12.759 0.312 2.780 754 HB1 ALA 14 HB1 ALA 14 -15.172 1.751 1.723 755 HB2 ALA 14 HB2 ALA 14 -15.227 0.247 2.631 756 HB3 ALA 14 HB3 ALA 14 -14.382 0.300 1.090 757 H VAL 15 HN VAL 15 -11.375 0.856 1.223 758 HA VAL 15 HA VAL 15 -11.041 3.711 0.657 759 HB VAL 15 HB VAL 15 -9.000 1.484 0.266 760 HG11 VAL 15 HG11 VAL 15 -8.637 4.480 0.029 761 HG12 VAL 15 HG12 VAL 15 -8.804 3.388 -1.328 762 HG13 VAL 15 HG13 VAL 15 -7.407 3.246 -0.259 763 HG21 VAL 15 HG21 VAL 15 -9.390 1.958 2.629 764 HG22 VAL 15 HG22 VAL 15 -9.124 3.676 2.327 765 HG23 VAL 15 HG23 VAL 15 -7.795 2.531 2.131 766 H ARG 16 HN ARG 16 -11.360 4.410 -1.351 767 HA ARG 16 HA ARG 16 -12.487 2.620 -3.256 768 HB2 ARG 16 HB2 ARG 16 -11.964 5.565 -3.275 769 HB3 ARG 16 HB1 ARG 16 -12.662 4.713 -4.660 770 HG2 ARG 16 HG2 ARG 16 -14.424 3.935 -3.174 771 HG3 ARG 16 HG1 ARG 16 -13.798 4.945 -1.886 772 HD2 ARG 16 HD2 ARG 16 -15.582 6.053 -2.949 773 HD3 ARG 16 HD1 ARG 16 -14.084 6.908 -3.362 774 HE ARG 16 HE ARG 16 -14.836 4.936 -5.286 775 HH11 ARG 16 HH11 ARG 16 -15.453 8.288 -4.300 776 HH12 ARG 16 HH12 ARG 16 -15.993 8.808 -5.823 777 HH21 ARG 16 HH21 ARG 16 -15.590 5.653 -7.424 778 HH22 ARG 16 HH22 ARG 16 -16.093 7.250 -7.652 779 H ILE 17 HN ILE 17 -11.369 1.581 -4.754 780 HA ILE 17 HA ILE 17 -8.681 2.515 -5.476 781 HB ILE 17 HB ILE 17 -10.032 -0.112 -6.188 782 HG12 ILE 17 HG12 ILE 17 -9.753 -0.102 -3.797 783 HG13 ILE 17 HG11 ILE 17 -8.579 -1.197 -4.495 784 HG21 ILE 17 HG21 ILE 17 -8.212 0.586 -7.704 785 HG22 ILE 17 HG22 ILE 17 -7.854 -0.906 -6.855 786 HG23 ILE 17 HG23 ILE 17 -7.096 0.593 -6.334 787 HD11 ILE 17 HD11 ILE 17 -6.822 0.417 -4.127 788 HD12 ILE 17 HD12 ILE 17 -7.723 0.131 -2.629 789 HD13 ILE 17 HD13 ILE 17 -8.003 1.600 -3.560 790 HA PRO 18 HA PRO 18 -10.717 3.982 -9.211 791 HB2 PRO 18 HB2 PRO 18 -8.024 3.965 -10.423 792 HB3 PRO 18 HB1 PRO 18 -9.142 5.306 -10.191 793 HG2 PRO 18 HG2 PRO 18 -6.880 5.043 -8.720 794 HG3 PRO 18 HG1 PRO 18 -8.350 5.821 -8.112 795 HD2 PRO 18 HD2 PRO 18 -7.252 3.115 -7.527 796 HD3 PRO 18 HD1 PRO 18 -8.160 4.227 -6.481 797 H ALA 19 HN ALA 19 -11.545 2.827 -10.821 798 HA ALA 19 HA ALA 19 -10.998 0.087 -11.155 799 HB1 ALA 19 HB1 ALA 19 -12.507 1.950 -12.997 800 HB2 ALA 19 HB2 ALA 19 -13.195 1.062 -11.640 801 HB3 ALA 19 HB3 ALA 19 -12.566 0.188 -13.040 802 H THR 20 HN THR 20 -9.805 2.939 -12.709 803 HA THR 20 HA THR 20 -8.556 1.865 -14.942 804 HB THR 20 HB THR 20 -7.541 4.109 -13.182 805 HG1 THR 20 HG1 THR 20 -8.944 5.405 -14.391 806 HG21 THR 20 HG21 THR 20 -6.678 5.024 -15.277 807 HG22 THR 20 HG22 THR 20 -7.342 3.655 -16.168 808 HG23 THR 20 HG23 THR 20 -6.026 3.404 -15.015 809 H LEU 21 HN LEU 21 -7.473 2.048 -11.546 810 HA LEU 21 HA LEU 21 -4.860 1.005 -12.087 811 HB2 LEU 21 HB2 LEU 21 -6.381 1.794 -9.674 812 HB3 LEU 21 HB1 LEU 21 -5.053 0.673 -9.469 813 HG LEU 21 HG LEU 21 -4.581 3.037 -9.079 814 HD11 LEU 21 HD11 LEU 21 -3.022 1.626 -11.284 815 HD12 LEU 21 HD12 LEU 21 -2.774 1.414 -9.552 816 HD13 LEU 21 HD13 LEU 21 -2.367 2.950 -10.319 817 HD21 LEU 21 HD21 LEU 21 -4.850 3.175 -12.050 818 HD22 LEU 21 HD22 LEU 21 -4.088 4.457 -11.090 819 HD23 LEU 21 HD23 LEU 21 -5.808 4.076 -10.872 820 H MET 22 HN MET 22 -7.819 -0.151 -10.917 821 HA MET 22 HA MET 22 -7.240 -2.805 -10.288 822 HB2 MET 22 HB2 MET 22 -9.620 -1.760 -11.823 823 HB3 MET 22 HB1 MET 22 -9.535 -3.372 -11.144 824 HG2 MET 22 HG2 MET 22 -9.335 -0.858 -9.503 825 HG3 MET 22 HG1 MET 22 -10.847 -1.701 -9.840 826 HE1 MET 22 HE1 MET 22 -11.469 -4.031 -9.015 827 HE2 MET 22 HE2 MET 22 -10.395 -5.089 -8.098 828 HE3 MET 22 HE3 MET 22 -10.029 -4.701 -9.781 829 H GLN 23 HN GLN 23 -8.148 -1.563 -13.370 830 HA GLN 23 HA GLN 23 -7.578 -3.799 -14.960 831 HB2 GLN 23 HB2 GLN 23 -7.578 -0.868 -15.630 832 HB3 GLN 23 HB1 GLN 23 -7.556 -2.168 -16.813 833 HG2 GLN 23 HG2 GLN 23 -9.627 -2.968 -16.042 834 HG3 GLN 23 HG1 GLN 23 -9.690 -1.785 -14.751 835 HE21 GLN 23 HE21 GLN 23 -10.110 0.330 -15.221 836 HE22 GLN 23 HE22 GLN 23 -10.805 0.878 -16.704 837 H ALA 24 HN ALA 24 -5.586 -1.226 -13.775 838 HA ALA 24 HA ALA 24 -3.423 -1.661 -15.627 839 HB1 ALA 24 HB1 ALA 24 -2.156 -0.087 -14.276 840 HB2 ALA 24 HB2 ALA 24 -3.354 -0.201 -12.991 841 HB3 ALA 24 HB3 ALA 24 -3.790 0.524 -14.540 842 H LEU 25 HN LEU 25 -4.231 -2.826 -12.484 843 HA LEU 25 HA LEU 25 -1.667 -4.177 -12.233 844 HB2 LEU 25 HB2 LEU 25 -3.825 -3.505 -10.292 845 HB3 LEU 25 HB1 LEU 25 -2.449 -4.520 -9.879 846 HG LEU 25 HG LEU 25 -2.029 -1.775 -11.032 847 HD11 LEU 25 HD11 LEU 25 -2.207 -2.504 -8.158 848 HD12 LEU 25 HD12 LEU 25 -3.522 -1.707 -9.040 849 HD13 LEU 25 HD13 LEU 25 -1.965 -0.886 -8.824 850 HD21 LEU 25 HD21 LEU 25 -0.156 -3.351 -10.943 851 HD22 LEU 25 HD22 LEU 25 -0.460 -3.570 -9.220 852 HD23 LEU 25 HD23 LEU 25 0.073 -2.001 -9.821 853 H ASN 26 HN ASN 26 -4.424 -4.887 -13.622 854 HA ASN 26 HA ASN 26 -5.316 -6.771 -14.478 855 HB2 ASN 26 HB2 ASN 26 -2.902 -8.124 -13.257 856 HB3 ASN 26 HB1 ASN 26 -4.052 -8.926 -14.319 857 HD21 ASN 26 HD21 ASN 26 -1.407 -6.691 -14.119 858 HD22 ASN 26 HD22 ASN 26 -1.209 -6.477 -15.813 859 H LEU 27 HN LEU 27 -5.971 -5.979 -11.590 860 HA LEU 27 HA LEU 27 -6.884 -8.592 -10.715 861 HB2 LEU 27 HB2 LEU 27 -7.242 -7.695 -8.616 862 HB3 LEU 27 HB1 LEU 27 -5.609 -7.267 -9.066 863 HG LEU 27 HG LEU 27 -7.755 -5.242 -9.498 864 HD11 LEU 27 HD11 LEU 27 -8.206 -6.267 -7.346 865 HD12 LEU 27 HD12 LEU 27 -7.720 -4.577 -7.216 866 HD13 LEU 27 HD13 LEU 27 -6.574 -5.866 -6.793 867 HD21 LEU 27 HD21 LEU 27 -5.435 -4.734 -10.098 868 HD22 LEU 27 HD22 LEU 27 -4.930 -5.119 -8.455 869 HD23 LEU 27 HD23 LEU 27 -5.976 -3.735 -8.749 870 H ASN 28 HN ASN 28 -9.019 -8.787 -10.065 871 HA ASN 28 HA ASN 28 -10.867 -6.791 -11.184 872 HB2 ASN 28 HB2 ASN 28 -11.017 -9.818 -11.335 873 HB3 ASN 28 HB1 ASN 28 -12.450 -8.835 -11.474 874 HD21 ASN 28 HD21 ASN 28 -9.475 -7.672 -12.862 875 HD22 ASN 28 HD22 ASN 28 -9.856 -7.990 -14.501 876 H ILE 29 HN ILE 29 -13.177 -7.473 -10.155 877 HA ILE 29 HA ILE 29 -12.852 -7.017 -7.372 878 HB ILE 29 HB ILE 29 -15.277 -7.721 -9.021 879 HG12 ILE 29 HG12 ILE 29 -14.388 -5.513 -9.529 880 HG13 ILE 29 HG11 ILE 29 -15.914 -5.351 -8.682 881 HG21 ILE 29 HG21 ILE 29 -15.704 -8.474 -6.740 882 HG22 ILE 29 HG22 ILE 29 -16.711 -7.082 -7.126 883 HG23 ILE 29 HG23 ILE 29 -15.276 -6.880 -6.118 884 HD11 ILE 29 HD11 ILE 29 -14.600 -4.936 -6.597 885 HD12 ILE 29 HD12 ILE 29 -14.425 -3.723 -7.851 886 HD13 ILE 29 HD13 ILE 29 -13.141 -4.901 -7.596 887 H ASP 30 HN ASP 30 -13.125 -8.334 -5.672 888 HA ASP 30 HA ASP 30 -13.225 -10.092 -4.368 889 HB2 ASP 30 HB2 ASP 30 -15.256 -10.786 -5.683 890 HB3 ASP 30 HB1 ASP 30 -14.208 -11.735 -6.727 891 H ASP 31 HN ASP 31 -10.921 -9.336 -6.050 892 HA ASP 31 HA ASP 31 -9.499 -11.863 -6.138 893 HB2 ASP 31 HB2 ASP 31 -9.176 -10.050 -7.927 894 HB3 ASP 31 HB1 ASP 31 -8.355 -9.118 -6.685 895 H GLU 32 HN GLU 32 -8.163 -12.422 -4.635 896 HA GLU 32 HA GLU 32 -8.296 -11.177 -2.122 897 HB2 GLU 32 HB2 GLU 32 -8.294 -13.543 -2.262 898 HB3 GLU 32 HB1 GLU 32 -6.821 -13.582 -3.199 899 HG2 GLU 32 HG2 GLU 32 -5.588 -12.795 -1.261 900 HG3 GLU 32 HG1 GLU 32 -7.091 -12.711 -0.335 901 H VAL 33 HN VAL 33 -6.851 -9.982 -1.099 902 HA VAL 33 HA VAL 33 -4.307 -9.377 -2.396 903 HB VAL 33 HB VAL 33 -4.539 -7.026 -2.316 904 HG11 VAL 33 HG11 VAL 33 -5.956 -7.964 -4.102 905 HG12 VAL 33 HG12 VAL 33 -6.559 -6.416 -3.462 906 HG13 VAL 33 HG13 VAL 33 -7.296 -7.926 -2.935 907 HG21 VAL 33 HG21 VAL 33 -5.451 -6.874 -0.030 908 HG22 VAL 33 HG22 VAL 33 -7.066 -7.246 -0.697 909 HG23 VAL 33 HG23 VAL 33 -6.235 -5.780 -1.161 910 H LYS 34 HN LYS 34 -2.693 -8.776 -1.127 911 HA LYS 34 HA LYS 34 -2.998 -9.507 1.688 912 HB2 LYS 34 HB2 LYS 34 -0.522 -8.781 0.112 913 HB3 LYS 34 HB1 LYS 34 -0.546 -9.362 1.766 914 HG2 LYS 34 HG2 LYS 34 -1.353 -11.508 1.046 915 HG3 LYS 34 HG1 LYS 34 -1.482 -10.967 -0.617 916 HD2 LYS 34 HD2 LYS 34 1.042 -11.330 1.007 917 HD3 LYS 34 HD1 LYS 34 0.514 -12.254 -0.402 918 HE2 LYS 34 HE2 LYS 34 1.991 -10.890 -1.430 919 HE3 LYS 34 HE1 LYS 34 0.581 -9.844 -1.510 920 HZ1 LYS 34 HZ1 LYS 34 2.847 -9.715 0.380 921 HZ2 LYS 34 HZ2 LYS 34 1.502 -8.755 0.641 922 HZ3 LYS 34 HZ3 LYS 34 2.434 -8.595 -0.780 923 H ILE 35 HN ILE 35 -3.164 -8.016 3.180 924 HA ILE 35 HA ILE 35 -2.347 -5.279 2.557 925 HB ILE 35 HB ILE 35 -4.187 -6.223 4.807 926 HG12 ILE 35 HG12 ILE 35 -5.868 -4.648 3.627 927 HG13 ILE 35 HG11 ILE 35 -4.785 -4.746 2.249 928 HG21 ILE 35 HG21 ILE 35 -2.949 -4.382 5.629 929 HG22 ILE 35 HG22 ILE 35 -4.559 -3.778 5.226 930 HG23 ILE 35 HG23 ILE 35 -3.200 -3.469 4.149 931 HD11 ILE 35 HD11 ILE 35 -6.215 -7.039 3.551 932 HD12 ILE 35 HD12 ILE 35 -5.126 -7.157 2.165 933 HD13 ILE 35 HD13 ILE 35 -6.646 -6.268 2.020 934 H ASP 36 HN ASP 36 -0.325 -5.069 3.108 935 HA ASP 36 HA ASP 36 0.531 -6.299 5.618 936 HB2 ASP 36 HB2 ASP 36 2.229 -5.672 3.162 937 HB3 ASP 36 HB1 ASP 36 2.824 -6.351 4.667 938 H LEU 37 HN LEU 37 1.222 -4.853 7.221 939 HA LEU 37 HA LEU 37 1.048 -2.137 6.584 940 HB2 LEU 37 HB2 LEU 37 0.122 -3.420 8.621 941 HB3 LEU 37 HB1 LEU 37 1.798 -3.506 9.123 942 HG LEU 37 HG LEU 37 0.574 -1.777 10.308 943 HD11 LEU 37 HD11 LEU 37 2.867 -1.480 10.111 944 HD12 LEU 37 HD12 LEU 37 2.112 0.124 9.872 945 HD13 LEU 37 HD13 LEU 37 2.679 -0.855 8.488 946 HD21 LEU 37 HD21 LEU 37 0.277 -0.421 7.657 947 HD22 LEU 37 HD22 LEU 37 -0.269 0.173 9.233 948 HD23 LEU 37 HD23 LEU 37 -0.986 -1.286 8.522 949 H VAL 38 HN VAL 38 2.686 -1.019 6.281 950 HA VAL 38 HA VAL 38 5.432 -1.822 7.015 951 HB VAL 38 HB VAL 38 4.772 -0.979 4.160 952 HG11 VAL 38 HG11 VAL 38 7.388 -1.863 5.361 953 HG12 VAL 38 HG12 VAL 38 6.965 -0.228 4.858 954 HG13 VAL 38 HG13 VAL 38 7.107 -1.509 3.657 955 HG21 VAL 38 HG21 VAL 38 5.425 -3.247 3.462 956 HG22 VAL 38 HG22 VAL 38 4.018 -3.282 4.529 957 HG23 VAL 38 HG23 VAL 38 5.612 -3.710 5.152 958 H ASP 39 HN ASP 39 6.235 -0.128 8.072 959 HA ASP 39 HA ASP 39 6.858 1.968 8.680 960 HB2 ASP 39 HB2 ASP 39 6.743 2.287 5.690 961 HB3 ASP 39 HB1 ASP 39 7.182 3.632 6.731 962 H GLY 40 HN GLY 40 4.064 1.461 8.848 963 HA2 GLY 40 HA2 GLY 40 2.412 2.782 9.793 964 HA3 GLY 40 HA1 GLY 40 3.253 4.211 9.212 965 H LYS 41 HN LYS 41 2.765 1.914 6.763 966 HA LYS 41 HA LYS 41 0.163 3.015 6.197 967 HB2 LYS 41 HB2 LYS 41 0.787 2.965 3.684 968 HB3 LYS 41 HB1 LYS 41 1.195 4.336 4.685 969 HG2 LYS 41 HG2 LYS 41 3.221 2.197 4.180 970 HG3 LYS 41 HG1 LYS 41 2.896 3.430 2.954 971 HD2 LYS 41 HD2 LYS 41 3.200 5.128 4.820 972 HD3 LYS 41 HD1 LYS 41 3.871 3.803 5.764 973 HE2 LYS 41 HE2 LYS 41 5.674 3.543 4.276 974 HE3 LYS 41 HE1 LYS 41 4.914 4.562 3.052 975 HZ1 LYS 41 HZ1 LYS 41 4.972 6.351 4.764 976 HZ2 LYS 41 HZ2 LYS 41 6.418 5.983 4.039 977 HZ3 LYS 41 HZ3 LYS 41 6.113 5.440 5.634 978 H LEU 42 HN LEU 42 -1.028 1.952 4.544 979 HA LEU 42 HA LEU 42 -0.914 -0.898 5.059 980 HB2 LEU 42 HB2 LEU 42 -3.072 0.913 4.005 981 HB3 LEU 42 HB1 LEU 42 -3.238 -0.824 4.206 982 HG LEU 42 HG LEU 42 -2.402 0.840 6.477 983 HD11 LEU 42 HD11 LEU 42 -5.272 0.349 5.563 984 HD12 LEU 42 HD12 LEU 42 -4.467 1.917 5.605 985 HD13 LEU 42 HD13 LEU 42 -4.837 1.076 7.109 986 HD21 LEU 42 HD21 LEU 42 -3.563 -0.912 7.770 987 HD22 LEU 42 HD22 LEU 42 -2.302 -1.563 6.719 988 HD23 LEU 42 HD23 LEU 42 -3.997 -1.702 6.258 989 H ILE 43 HN ILE 43 0.032 -1.948 3.662 990 HA ILE 43 HA ILE 43 0.171 -1.080 0.891 991 HB ILE 43 HB ILE 43 1.681 -3.015 2.543 992 HG12 ILE 43 HG12 ILE 43 3.668 -1.931 1.759 993 HG13 ILE 43 HG11 ILE 43 2.745 -0.979 0.602 994 HG21 ILE 43 HG21 ILE 43 1.219 -4.318 0.620 995 HG22 ILE 43 HG22 ILE 43 2.931 -3.841 0.563 996 HG23 ILE 43 HG23 ILE 43 1.739 -3.001 -0.448 997 HD11 ILE 43 HD11 ILE 43 1.649 0.128 2.458 998 HD12 ILE 43 HD12 ILE 43 3.405 0.372 2.511 999 HD13 ILE 43 HD13 ILE 43 2.622 -0.784 3.610 1000 H ILE 44 HN ILE 44 -1.165 -1.726 -0.326 1001 HA ILE 44 HA ILE 44 -2.626 -4.267 0.040 1002 HB ILE 44 HB ILE 44 -3.517 -1.710 -1.348 1003 HG12 ILE 44 HG12 ILE 44 -5.583 -1.994 0.024 1004 HG13 ILE 44 HG11 ILE 44 -4.880 -3.422 0.750 1005 HG21 ILE 44 HG21 ILE 44 -5.542 -2.862 -2.162 1006 HG22 ILE 44 HG22 ILE 44 -4.819 -4.399 -1.677 1007 HG23 ILE 44 HG23 ILE 44 -4.058 -3.430 -2.931 1008 HD11 ILE 44 HD11 ILE 44 -3.876 -0.590 1.030 1009 HD12 ILE 44 HD12 ILE 44 -3.133 -2.018 1.744 1010 HD13 ILE 44 HD13 ILE 44 -4.752 -1.529 2.238 1011 H GLU 45 HN GLU 45 -1.664 -5.796 -1.040 1012 HA GLU 45 HA GLU 45 -0.837 -5.212 -3.785 1013 HB2 GLU 45 HB2 GLU 45 1.118 -5.538 -2.459 1014 HB3 GLU 45 HB1 GLU 45 0.468 -7.028 -1.753 1015 HG2 GLU 45 HG2 GLU 45 0.741 -8.110 -3.893 1016 HG3 GLU 45 HG1 GLU 45 1.290 -6.596 -4.613 1017 HA PRO 46 HA PRO 46 -3.927 -8.345 -4.825 1018 HB2 PRO 46 HB2 PRO 46 -2.824 -8.497 -7.434 1019 HB3 PRO 46 HB1 PRO 46 -4.233 -7.565 -6.933 1020 HG2 PRO 46 HG2 PRO 46 -1.498 -6.830 -7.362 1021 HG3 PRO 46 HG1 PRO 46 -2.998 -5.868 -7.509 1022 HD2 PRO 46 HD2 PRO 46 -1.176 -5.607 -5.464 1023 HD3 PRO 46 HD1 PRO 46 -2.931 -5.287 -5.191 1024 H VAL 47 HN VAL 47 -3.792 -10.374 -5.315 1025 HA VAL 47 HA VAL 47 -1.145 -11.618 -4.892 1026 HB VAL 47 HB VAL 47 -3.806 -12.994 -4.381 1027 HG11 VAL 47 HG11 VAL 47 -1.036 -13.623 -3.500 1028 HG12 VAL 47 HG12 VAL 47 -1.901 -14.483 -4.805 1029 HG13 VAL 47 HG13 VAL 47 -2.478 -14.562 -3.119 1030 HG21 VAL 47 HG21 VAL 47 -3.632 -11.204 -2.855 1031 HG22 VAL 47 HG22 VAL 47 -1.951 -11.634 -2.480 1032 HG23 VAL 47 HG23 VAL 47 -3.266 -12.697 -1.972 1033 H ARG 48 HN ARG 48 -0.307 -12.509 -6.546 1034 HA ARG 48 HA ARG 48 -1.898 -12.844 -8.936 1035 HB2 ARG 48 HB2 ARG 48 1.060 -13.138 -8.508 1036 HB3 ARG 48 HB1 ARG 48 0.244 -13.206 -10.058 1037 HG2 ARG 48 HG2 ARG 48 -0.515 -10.871 -9.701 1038 HG3 ARG 48 HG1 ARG 48 0.443 -10.828 -8.222 1039 HD2 ARG 48 HD2 ARG 48 1.459 -11.321 -11.006 1040 HD3 ARG 48 HD1 ARG 48 1.693 -9.843 -10.064 1041 HE ARG 48 HE ARG 48 2.683 -12.040 -8.621 1042 HH11 ARG 48 HH11 ARG 48 3.545 -10.100 -11.497 1043 HH12 ARG 48 HH12 ARG 48 5.194 -10.490 -11.367 1044 HH21 ARG 48 HH21 ARG 48 4.917 -12.546 -8.529 1045 HH22 ARG 48 HH22 ARG 48 5.985 -11.921 -9.724 1046 H LYS 49 HN LYS 49 -2.332 -14.697 -9.890 1047 HA LYS 49 HA LYS 49 -1.929 -17.052 -8.288 1048 HB2 LYS 49 HB2 LYS 49 -3.824 -16.403 -10.527 1049 HB3 LYS 49 HB1 LYS 49 -3.562 -18.051 -10.002 1050 HG2 LYS 49 HG2 LYS 49 -5.583 -17.106 -8.998 1051 HG3 LYS 49 HG1 LYS 49 -4.382 -17.474 -7.766 1052 HD2 LYS 49 HD2 LYS 49 -3.763 -15.167 -7.616 1053 HD3 LYS 49 HD1 LYS 49 -4.820 -14.742 -8.950 1054 HE2 LYS 49 HE2 LYS 49 -6.758 -15.461 -7.577 1055 HE3 LYS 49 HE1 LYS 49 -5.656 -15.885 -6.280 1056 HZ1 LYS 49 HZ1 LYS 49 -6.282 -13.134 -7.283 1057 HZ2 LYS 49 HZ2 LYS 49 -4.972 -13.457 -6.301 1058 HZ3 LYS 49 HZ3 LYS 49 -6.536 -13.792 -5.749 1059 H GLU 50 HN GLU 50 -0.108 -17.760 -8.671 1060 HA GLU 50 HA GLU 50 0.565 -18.530 -11.427 1061 HB2 GLU 50 HB2 GLU 50 2.250 -16.998 -10.381 1062 HB3 GLU 50 HB1 GLU 50 2.517 -18.195 -9.124 1063 HG2 GLU 50 HG2 GLU 50 3.348 -19.777 -10.769 1064 HG3 GLU 50 HG1 GLU 50 3.015 -18.625 -12.060 Start of MODEL 13 1 H1 ASN -16 HT1 ASN -16 15.330 -29.039 -9.290 2 H2 ASN -16 HT2 ASN -16 14.017 -28.321 -8.491 3 H3 ASN -16 HT3 ASN -16 13.878 -29.874 -9.104 4 HA ASN -16 HA ASN -16 15.431 -30.748 -7.589 5 HB2 ASN -16 HB2 ASN -16 16.334 -29.356 -5.767 6 HB3 ASN -16 HB1 ASN -16 16.818 -28.681 -7.314 7 HD21 ASN -16 HD21 ASN -16 15.192 -28.113 -4.348 8 HD22 ASN -16 HD22 ASN -16 14.667 -26.520 -4.747 9 H HIS -15 HN HIS -15 14.806 -30.934 -5.100 10 HA HIS -15 HA HIS -15 11.989 -30.230 -4.819 11 HB2 HIS -15 HB2 HIS -15 12.216 -32.618 -5.615 12 HB3 HIS -15 HB1 HIS -15 13.150 -32.961 -4.169 13 HD1 HIS -15 HD1 HIS -15 9.724 -33.019 -5.425 14 HD2 HIS -15 HD2 HIS -15 11.552 -32.574 -1.721 15 HE1 HIS -15 HE1 HIS -15 7.956 -33.500 -3.712 16 H LYS -14 HN LYS -14 11.963 -28.961 -3.096 17 HA LYS -14 HA LYS -14 13.912 -29.333 -1.011 18 HB2 LYS -14 HB2 LYS -14 13.304 -27.038 -1.679 19 HB3 LYS -14 HB1 LYS -14 11.635 -27.343 -1.240 20 HG2 LYS -14 HG2 LYS -14 12.777 -26.008 0.470 21 HG3 LYS -14 HG1 LYS -14 12.250 -27.561 1.105 22 HD2 LYS -14 HD2 LYS -14 14.470 -27.095 1.936 23 HD3 LYS -14 HD1 LYS -14 14.564 -28.425 0.796 24 HE2 LYS -14 HE2 LYS -14 16.417 -26.902 0.436 25 HE3 LYS -14 HE1 LYS -14 15.334 -26.858 -0.947 26 HZ1 LYS -14 HZ1 LYS -14 15.294 -24.825 1.237 27 HZ2 LYS -14 HZ2 LYS -14 14.469 -24.754 -0.226 28 HZ3 LYS -14 HZ3 LYS -14 16.134 -24.663 -0.205 29 H VAL -13 HN VAL -13 13.533 -31.142 -0.010 30 HA VAL -13 HA VAL -13 11.050 -32.274 0.480 31 HB VAL -13 HB VAL -13 12.210 -33.849 1.990 32 HG11 VAL -13 HG11 VAL -13 13.764 -34.775 0.314 33 HG12 VAL -13 HG12 VAL -13 13.663 -33.265 -0.586 34 HG13 VAL -13 HG13 VAL -13 12.229 -34.273 -0.390 35 HG21 VAL -13 HG21 VAL -13 13.809 -32.317 3.040 36 HG22 VAL -13 HG22 VAL -13 14.646 -32.118 1.501 37 HG23 VAL -13 HG23 VAL -13 14.652 -33.686 2.310 38 H HIS -12 HN HIS -12 9.605 -32.106 2.003 39 HA HIS -12 HA HIS -12 9.952 -30.079 4.013 40 HB2 HIS -12 HB2 HIS -12 7.813 -30.252 2.755 41 HB3 HIS -12 HB1 HIS -12 7.562 -31.859 3.417 42 HD1 HIS -12 HD1 HIS -12 6.356 -31.977 5.672 43 HD2 HIS -12 HD2 HIS -12 7.633 -28.138 4.705 44 HE1 HIS -12 HE1 HIS -12 5.347 -30.452 7.394 45 H HIS -11 HN HIS -11 11.528 -31.012 5.244 46 HA HIS -11 HA HIS -11 10.521 -33.045 7.092 47 HB2 HIS -11 HB2 HIS -11 12.213 -34.141 5.664 48 HB3 HIS -11 HB1 HIS -11 13.356 -32.849 6.002 49 HD1 HIS -11 HD1 HIS -11 11.941 -36.014 7.494 50 HD2 HIS -11 HD2 HIS -11 14.605 -32.980 8.497 51 HE1 HIS -11 HE1 HIS -11 13.175 -36.807 9.528 52 H HIS -10 HN HIS -10 9.961 -31.714 8.637 53 HA HIS -10 HA HIS -10 10.018 -30.272 10.366 54 HB2 HIS -10 HB2 HIS -10 13.025 -30.703 10.220 55 HB3 HIS -10 HB1 HIS -10 12.214 -29.857 11.529 56 HD1 HIS -10 HD1 HIS -10 13.795 -32.874 11.185 57 HD2 HIS -10 HD2 HIS -10 9.928 -31.914 12.365 58 HE1 HIS -10 HE1 HIS -10 12.965 -34.840 12.537 59 H HIS -9 HN HIS -9 10.282 -29.423 7.584 60 HA HIS -9 HA HIS -9 11.824 -26.999 7.519 61 HB2 HIS -9 HB2 HIS -9 11.314 -28.428 5.496 62 HB3 HIS -9 HB1 HIS -9 9.642 -27.905 5.619 63 HD1 HIS -9 HD1 HIS -9 9.083 -25.514 4.643 64 HD2 HIS -9 HD2 HIS -9 13.125 -26.496 4.657 65 HE1 HIS -9 HE1 HIS -9 10.226 -23.785 3.238 66 H HIS -8 HN HIS -8 11.132 -25.541 8.987 67 HA HIS -8 HA HIS -8 8.408 -24.576 8.710 68 HB2 HIS -8 HB2 HIS -8 8.277 -26.220 10.501 69 HB3 HIS -8 HB1 HIS -8 9.641 -25.484 11.318 70 HD1 HIS -8 HD1 HIS -8 9.014 -23.909 13.161 71 HD2 HIS -8 HD2 HIS -8 5.960 -24.363 10.382 72 HE1 HIS -8 HE1 HIS -8 7.044 -22.647 14.080 73 H HIS -7 HN HIS -7 8.602 -22.527 8.331 74 HA HIS -7 HA HIS -7 10.588 -20.938 9.778 75 HB2 HIS -7 HB2 HIS -7 8.966 -20.333 7.280 76 HB3 HIS -7 HB1 HIS -7 9.939 -19.136 8.115 77 HD1 HIS -7 HD1 HIS -7 12.407 -19.047 7.507 78 HD2 HIS -7 HD2 HIS -7 10.481 -22.413 6.005 79 HE1 HIS -7 HE1 HIS -7 14.014 -20.105 5.888 80 H MET -6 HN MET -6 9.804 -19.189 11.009 81 HA MET -6 HA MET -6 7.092 -19.684 11.829 82 HB2 MET -6 HB2 MET -6 9.162 -17.875 13.061 83 HB3 MET -6 HB1 MET -6 7.516 -18.019 13.657 84 HG2 MET -6 HG2 MET -6 7.918 -20.446 13.983 85 HG3 MET -6 HG1 MET -6 9.599 -20.179 13.537 86 HE1 MET -6 HE1 MET -6 9.857 -20.814 17.353 87 HE2 MET -6 HE2 MET -6 10.394 -21.297 15.742 88 HE3 MET -6 HE3 MET -6 8.724 -21.572 16.237 89 H SER -5 HN SER -5 6.424 -19.036 9.734 90 HA SER -5 HA SER -5 6.301 -16.299 9.038 91 HB2 SER -5 HB2 SER -5 4.589 -18.605 8.096 92 HB3 SER -5 HB1 SER -5 4.791 -17.047 7.286 93 HG SER -5 HG SER -5 7.060 -17.557 7.189 94 H ASP -4 HN ASP -4 4.714 -18.120 11.362 95 HA ASP -4 HA ASP -4 2.110 -17.077 11.349 96 HB2 ASP -4 HB2 ASP -4 2.005 -17.805 13.733 97 HB3 ASP -4 HB1 ASP -4 2.579 -19.056 12.641 98 H ASP -3 HN ASP -3 5.014 -15.828 12.549 99 HA ASP -3 HA ASP -3 3.716 -13.710 14.057 100 HB2 ASP -3 HB2 ASP -3 5.851 -14.541 14.890 101 HB3 ASP -3 HB1 ASP -3 6.637 -14.083 13.382 102 H ASP -2 HN ASP -2 5.367 -14.048 10.983 103 HA ASP -2 HA ASP -2 5.166 -11.226 10.392 104 HB2 ASP -2 HB2 ASP -2 7.085 -12.445 9.493 105 HB3 ASP -2 HB1 ASP -2 6.015 -13.529 8.615 106 H ASP -1 HN ASP -1 3.120 -13.862 10.162 107 HA ASP -1 HA ASP -1 1.662 -13.063 7.878 108 HB2 ASP -1 HB2 ASP -1 1.611 -15.393 8.729 109 HB3 ASP -1 HB1 ASP -1 0.747 -14.832 10.152 110 H LYS 0 HN LYS 0 1.411 -11.023 8.158 111 HA LYS 0 HA LYS 0 -0.589 -10.014 10.084 112 HB2 LYS 0 HB2 LYS 0 0.643 -7.909 10.072 113 HB3 LYS 0 HB1 LYS 0 1.730 -9.220 10.515 114 HG2 LYS 0 HG2 LYS 0 2.437 -9.251 8.045 115 HG3 LYS 0 HG1 LYS 0 1.575 -7.722 7.915 116 HD2 LYS 0 HD2 LYS 0 3.051 -6.786 9.611 117 HD3 LYS 0 HD1 LYS 0 3.869 -8.346 9.748 118 HE2 LYS 0 HE2 LYS 0 3.731 -6.593 7.296 119 HE3 LYS 0 HE1 LYS 0 5.144 -6.872 8.301 120 HZ1 LYS 0 HZ1 LYS 0 3.758 -8.832 6.556 121 HZ2 LYS 0 HZ2 LYS 0 5.041 -9.263 7.591 122 HZ3 LYS 0 HZ3 LYS 0 5.292 -8.198 6.339 123 H GLY 1 HN GLY 1 -0.005 -10.839 6.959 124 HA2 GLY 1 HA2 GLY 1 -1.190 -8.579 5.645 125 HA3 GLY 1 HA1 GLY 1 -0.668 -10.095 4.904 126 H ILE 2 HN ILE 2 -3.090 -8.472 6.613 127 HA ILE 2 HA ILE 2 -4.892 -10.562 7.050 128 HB ILE 2 HB ILE 2 -5.412 -7.596 6.692 129 HG12 ILE 2 HG12 ILE 2 -5.081 -9.266 9.197 130 HG13 ILE 2 HG11 ILE 2 -3.849 -8.222 8.506 131 HG21 ILE 2 HG21 ILE 2 -7.514 -8.044 7.975 132 HG22 ILE 2 HG22 ILE 2 -7.224 -9.774 7.761 133 HG23 ILE 2 HG23 ILE 2 -7.498 -8.741 6.361 134 HD11 ILE 2 HD11 ILE 2 -5.254 -6.284 8.925 135 HD12 ILE 2 HD12 ILE 2 -4.953 -7.190 10.406 136 HD13 ILE 2 HD13 ILE 2 -6.510 -7.328 9.590 137 H HIS 3 HN HIS 3 -6.074 -11.690 5.729 138 HA HIS 3 HA HIS 3 -6.061 -11.087 2.957 139 HB2 HIS 3 HB2 HIS 3 -7.135 -13.379 4.563 140 HB3 HIS 3 HB1 HIS 3 -7.574 -13.180 2.871 141 HD1 HIS 3 HD1 HIS 3 -5.001 -14.696 4.975 142 HD2 HIS 3 HD2 HIS 3 -5.231 -13.084 1.160 143 HE1 HIS 3 HE1 HIS 3 -3.047 -15.639 3.703 144 H SER 4 HN SER 4 -7.369 -10.023 1.943 145 HA SER 4 HA SER 4 -10.173 -9.993 2.589 146 HB2 SER 4 HB2 SER 4 -8.325 -7.686 2.506 147 HB3 SER 4 HB1 SER 4 -10.007 -7.398 2.031 148 HG SER 4 HG SER 4 -9.219 -8.714 4.412 149 H SER 5 HN SER 5 -10.882 -8.242 0.553 150 HA SER 5 HA SER 5 -9.537 -9.132 -1.830 151 HB2 SER 5 HB2 SER 5 -12.447 -9.808 -1.298 152 HB3 SER 5 HB1 SER 5 -11.570 -10.119 -2.797 153 HG SER 5 HG SER 5 -10.146 -11.167 -0.869 154 H VAL 6 HN VAL 6 -10.190 -7.915 -3.621 155 HA VAL 6 HA VAL 6 -11.137 -5.271 -2.987 156 HB VAL 6 HB VAL 6 -10.577 -6.522 -5.693 157 HG11 VAL 6 HG11 VAL 6 -10.927 -3.639 -4.867 158 HG12 VAL 6 HG12 VAL 6 -11.970 -4.575 -5.943 159 HG13 VAL 6 HG13 VAL 6 -10.333 -4.166 -6.437 160 HG21 VAL 6 HG21 VAL 6 -8.636 -6.573 -4.344 161 HG22 VAL 6 HG22 VAL 6 -8.907 -4.895 -3.859 162 HG23 VAL 6 HG23 VAL 6 -8.447 -5.266 -5.537 163 H LYS 7 HN LYS 7 -13.251 -5.016 -2.624 164 HA LYS 7 HA LYS 7 -15.039 -6.702 -4.174 165 HB2 LYS 7 HB2 LYS 7 -15.351 -5.315 -1.525 166 HB3 LYS 7 HB1 LYS 7 -16.647 -6.178 -2.414 167 HG2 LYS 7 HG2 LYS 7 -14.118 -7.499 -1.536 168 HG3 LYS 7 HG1 LYS 7 -15.533 -7.372 -0.491 169 HD2 LYS 7 HD2 LYS 7 -16.865 -8.420 -2.311 170 HD3 LYS 7 HD1 LYS 7 -15.365 -8.710 -3.184 171 HE2 LYS 7 HE2 LYS 7 -14.526 -10.102 -1.415 172 HE3 LYS 7 HE1 LYS 7 -15.897 -9.695 -0.392 173 HZ1 LYS 7 HZ1 LYS 7 -16.096 -11.865 -1.418 174 HZ2 LYS 7 HZ2 LYS 7 -16.089 -11.181 -2.964 175 HZ3 LYS 7 HZ3 LYS 7 -17.357 -10.844 -1.882 176 H ARG 8 HN ARG 8 -17.146 -5.572 -4.599 177 HA ARG 8 HA ARG 8 -16.517 -2.981 -5.799 178 HB2 ARG 8 HB2 ARG 8 -17.303 -4.785 -7.234 179 HB3 ARG 8 HB1 ARG 8 -18.807 -4.824 -6.318 180 HG2 ARG 8 HG2 ARG 8 -19.270 -2.534 -7.010 181 HG3 ARG 8 HG1 ARG 8 -17.764 -2.522 -7.934 182 HD2 ARG 8 HD2 ARG 8 -19.818 -4.562 -8.206 183 HD3 ARG 8 HD1 ARG 8 -19.894 -3.092 -9.216 184 HE ARG 8 HE ARG 8 -17.560 -3.877 -9.914 185 HH11 ARG 8 HH11 ARG 8 -20.143 -6.224 -9.090 186 HH12 ARG 8 HH12 ARG 8 -19.534 -7.414 -10.124 187 HH21 ARG 8 HH21 ARG 8 -16.781 -5.550 -11.334 188 HH22 ARG 8 HH22 ARG 8 -17.592 -7.046 -11.420 189 H TRP 9 HN TRP 9 -17.048 -1.311 -4.561 190 HA TRP 9 HA TRP 9 -19.456 -1.371 -2.894 191 HB2 TRP 9 HB2 TRP 9 -17.253 -0.652 -1.895 192 HB3 TRP 9 HB1 TRP 9 -17.195 0.626 -3.065 193 HD1 TRP 9 HD1 TRP 9 -20.647 0.350 -1.690 194 HE1 TRP 9 HE1 TRP 9 -21.052 2.141 0.049 195 HE3 TRP 9 HE3 TRP 9 -15.767 2.141 -0.916 196 HZ2 TRP 9 HZ2 TRP 9 -19.713 4.043 1.435 197 HZ3 TRP 9 HZ3 TRP 9 -15.543 3.899 0.596 198 HH2 TRP 9 HH2 TRP 9 -17.530 4.853 1.806 199 H GLY 10 HN GLY 10 -21.046 -1.124 -4.425 200 HA2 GLY 10 HA2 GLY 10 -22.470 0.164 -5.666 201 HA3 GLY 10 HA1 GLY 10 -21.326 1.509 -5.553 202 H ASN 11 HN ASN 11 -20.509 2.034 -7.441 203 HA ASN 11 HA ASN 11 -19.901 -0.150 -9.313 204 HB2 ASN 11 HB2 ASN 11 -20.307 2.805 -9.811 205 HB3 ASN 11 HB1 ASN 11 -19.788 1.662 -11.042 206 HD21 ASN 11 HD21 ASN 11 -22.159 3.331 -10.855 207 HD22 ASN 11 HD22 ASN 11 -23.525 2.281 -10.961 208 H SER 12 HN SER 12 -18.085 0.620 -6.944 209 HA SER 12 HA SER 12 -15.813 1.248 -8.547 210 HB2 SER 12 HB2 SER 12 -16.622 2.741 -6.059 211 HB3 SER 12 HB1 SER 12 -15.071 2.940 -6.885 212 HG SER 12 HG SER 12 -16.936 3.183 -8.697 213 HA PRO 13 HA PRO 13 -14.308 -2.122 -6.004 214 HB2 PRO 13 HB2 PRO 13 -11.633 -1.622 -6.506 215 HB3 PRO 13 HB1 PRO 13 -12.685 -2.592 -7.538 216 HG2 PRO 13 HG2 PRO 13 -11.828 0.239 -7.825 217 HG3 PRO 13 HG1 PRO 13 -12.094 -0.990 -9.075 218 HD2 PRO 13 HD2 PRO 13 -13.857 0.989 -8.569 219 HD3 PRO 13 HD1 PRO 13 -14.386 -0.612 -9.112 220 H ALA 14 HN ALA 14 -13.934 -2.149 -3.878 221 HA ALA 14 HA ALA 14 -12.283 -0.080 -2.678 222 HB1 ALA 14 HB1 ALA 14 -13.861 0.186 -0.850 223 HB2 ALA 14 HB2 ALA 14 -14.970 -0.950 -1.621 224 HB3 ALA 14 HB3 ALA 14 -14.626 0.602 -2.385 225 H VAL 15 HN VAL 15 -11.135 -0.776 -0.951 226 HA VAL 15 HA VAL 15 -11.309 -3.645 -0.330 227 HB VAL 15 HB VAL 15 -8.881 -1.803 -0.158 228 HG11 VAL 15 HG11 VAL 15 -8.855 -3.428 1.686 229 HG12 VAL 15 HG12 VAL 15 -7.596 -3.789 0.501 230 HG13 VAL 15 HG13 VAL 15 -9.082 -4.740 0.529 231 HG21 VAL 15 HG21 VAL 15 -7.927 -3.252 -1.874 232 HG22 VAL 15 HG22 VAL 15 -9.450 -2.542 -2.433 233 HG23 VAL 15 HG23 VAL 15 -9.404 -4.215 -1.879 234 H ARG 16 HN ARG 16 -11.531 -4.263 1.746 235 HA ARG 16 HA ARG 16 -12.469 -2.335 3.626 236 HB2 ARG 16 HB2 ARG 16 -12.128 -5.295 3.675 237 HB3 ARG 16 HB1 ARG 16 -12.625 -4.394 5.105 238 HG2 ARG 16 HG2 ARG 16 -14.549 -3.560 3.802 239 HG3 ARG 16 HG1 ARG 16 -14.055 -4.610 2.473 240 HD2 ARG 16 HD2 ARG 16 -14.304 -6.548 3.791 241 HD3 ARG 16 HD1 ARG 16 -14.552 -5.608 5.258 242 HE ARG 16 HE ARG 16 -16.503 -4.930 3.368 243 HH11 ARG 16 HH11 ARG 16 -15.670 -7.676 5.481 244 HH12 ARG 16 HH12 ARG 16 -17.276 -8.158 5.698 245 HH21 ARG 16 HH21 ARG 16 -18.708 -5.652 3.668 246 HH22 ARG 16 HH22 ARG 16 -19.027 -7.029 4.630 247 H ILE 17 HN ILE 17 -11.331 -1.408 5.199 248 HA ILE 17 HA ILE 17 -8.743 -2.530 5.914 249 HB ILE 17 HB ILE 17 -9.834 0.298 6.095 250 HG12 ILE 17 HG12 ILE 17 -7.555 0.843 5.099 251 HG13 ILE 17 HG11 ILE 17 -7.387 -0.890 4.845 252 HG21 ILE 17 HG21 ILE 17 -8.864 -0.084 8.259 253 HG22 ILE 17 HG22 ILE 17 -7.891 1.019 7.265 254 HG23 ILE 17 HG23 ILE 17 -7.368 -0.656 7.486 255 HD11 ILE 17 HD11 ILE 17 -8.127 0.303 2.873 256 HD12 ILE 17 HD12 ILE 17 -9.555 0.822 3.802 257 HD13 ILE 17 HD13 ILE 17 -9.298 -0.900 3.454 258 HA PRO 18 HA PRO 18 -10.803 -3.768 9.707 259 HB2 PRO 18 HB2 PRO 18 -8.097 -3.971 10.838 260 HB3 PRO 18 HB1 PRO 18 -9.314 -5.225 10.630 261 HG2 PRO 18 HG2 PRO 18 -7.074 -5.119 9.121 262 HG3 PRO 18 HG1 PRO 18 -8.612 -5.768 8.530 263 HD2 PRO 18 HD2 PRO 18 -7.317 -3.143 7.945 264 HD3 PRO 18 HD1 PRO 18 -8.312 -4.192 6.914 265 H ALA 19 HN ALA 19 -11.341 -2.698 11.559 266 HA ALA 19 HA ALA 19 -10.679 0.025 11.823 267 HB1 ALA 19 HB1 ALA 19 -12.041 -1.840 13.772 268 HB2 ALA 19 HB2 ALA 19 -12.821 -0.777 12.589 269 HB3 ALA 19 HB3 ALA 19 -11.934 -0.092 13.945 270 H THR 20 HN THR 20 -9.390 -2.879 13.236 271 HA THR 20 HA THR 20 -7.835 -1.884 15.295 272 HB THR 20 HB THR 20 -7.037 -4.053 13.353 273 HG1 THR 20 HG1 THR 20 -8.291 -5.360 14.868 274 HG21 THR 20 HG21 THR 20 -5.382 -3.489 15.082 275 HG22 THR 20 HG22 THR 20 -6.079 -5.085 15.373 276 HG23 THR 20 HG23 THR 20 -6.611 -3.702 16.329 277 H LEU 21 HN LEU 21 -7.257 -1.964 11.805 278 HA LEU 21 HA LEU 21 -4.529 -1.083 11.966 279 HB2 LEU 21 HB2 LEU 21 -6.444 -1.644 9.780 280 HB3 LEU 21 HB1 LEU 21 -5.036 -0.666 9.427 281 HG LEU 21 HG LEU 21 -4.906 -3.075 8.926 282 HD11 LEU 21 HD11 LEU 21 -2.882 -1.903 10.880 283 HD12 LEU 21 HD12 LEU 21 -2.888 -1.655 9.134 284 HD13 LEU 21 HD13 LEU 21 -2.539 -3.252 9.796 285 HD21 LEU 21 HD21 LEU 21 -4.339 -4.632 10.786 286 HD22 LEU 21 HD22 LEU 21 -5.966 -3.942 10.957 287 HD23 LEU 21 HD23 LEU 21 -4.637 -3.293 11.902 288 H MET 22 HN MET 22 -7.558 0.280 11.360 289 HA MET 22 HA MET 22 -6.867 2.935 10.733 290 HB2 MET 22 HB2 MET 22 -9.028 2.184 12.705 291 HB3 MET 22 HB1 MET 22 -8.851 3.723 11.894 292 HG2 MET 22 HG2 MET 22 -9.412 2.681 9.776 293 HG3 MET 22 HG1 MET 22 -9.495 1.111 10.564 294 HE1 MET 22 HE1 MET 22 -12.340 4.595 11.561 295 HE2 MET 22 HE2 MET 22 -11.053 4.713 10.354 296 HE3 MET 22 HE3 MET 22 -10.656 4.564 12.066 297 H GLN 23 HN GLN 23 -7.190 1.398 13.824 298 HA GLN 23 HA GLN 23 -6.416 3.601 15.410 299 HB2 GLN 23 HB2 GLN 23 -6.478 0.659 16.019 300 HB3 GLN 23 HB1 GLN 23 -6.349 1.955 17.207 301 HG2 GLN 23 HG2 GLN 23 -8.451 2.825 16.530 302 HG3 GLN 23 HG1 GLN 23 -8.619 1.598 15.295 303 HE21 GLN 23 HE21 GLN 23 -9.111 -0.461 15.844 304 HE22 GLN 23 HE22 GLN 23 -9.648 -0.933 17.416 305 H ALA 24 HN ALA 24 -4.739 1.115 13.763 306 HA ALA 24 HA ALA 24 -2.312 1.336 15.281 307 HB1 ALA 24 HB1 ALA 24 -2.856 -0.717 14.040 308 HB2 ALA 24 HB2 ALA 24 -1.300 -0.056 13.543 309 HB3 ALA 24 HB3 ALA 24 -2.721 0.173 12.524 310 H LEU 25 HN LEU 25 -3.692 2.988 12.577 311 HA LEU 25 HA LEU 25 -1.186 4.411 12.101 312 HB2 LEU 25 HB2 LEU 25 -3.645 4.072 10.440 313 HB3 LEU 25 HB1 LEU 25 -2.216 4.987 9.970 314 HG LEU 25 HG LEU 25 -2.146 2.051 10.633 315 HD11 LEU 25 HD11 LEU 25 -2.015 1.701 8.238 316 HD12 LEU 25 HD12 LEU 25 -2.353 3.426 7.991 317 HD13 LEU 25 HD13 LEU 25 -3.561 2.384 8.749 318 HD21 LEU 25 HD21 LEU 25 -0.210 3.897 9.265 319 HD22 LEU 25 HD22 LEU 25 -0.013 2.158 9.428 320 HD23 LEU 25 HD23 LEU 25 -0.011 3.185 10.866 321 H ASN 26 HN ASN 26 -3.803 4.676 13.910 322 HA ASN 26 HA ASN 26 -5.000 6.267 14.968 323 HB2 ASN 26 HB2 ASN 26 -2.648 7.996 14.168 324 HB3 ASN 26 HB1 ASN 26 -3.929 8.536 15.247 325 HD21 ASN 26 HD21 ASN 26 -1.145 6.531 14.888 326 HD22 ASN 26 HD22 ASN 26 -0.995 6.086 16.545 327 H LEU 27 HN LEU 27 -5.518 5.878 12.070 328 HA LEU 27 HA LEU 27 -6.459 8.515 11.381 329 HB2 LEU 27 HB2 LEU 27 -6.694 7.651 9.138 330 HB3 LEU 27 HB1 LEU 27 -5.051 7.491 9.712 331 HG LEU 27 HG LEU 27 -5.886 5.016 10.231 332 HD11 LEU 27 HD11 LEU 27 -8.181 5.344 9.544 333 HD12 LEU 27 HD12 LEU 27 -7.358 4.221 8.435 334 HD13 LEU 27 HD13 LEU 27 -7.621 5.894 7.964 335 HD21 LEU 27 HD21 LEU 27 -4.021 5.587 8.834 336 HD22 LEU 27 HD22 LEU 27 -5.103 5.992 7.490 337 HD23 LEU 27 HD23 LEU 27 -4.994 4.329 8.088 338 H ASN 28 HN ASN 28 -8.575 8.694 10.469 339 HA ASN 28 HA ASN 28 -10.530 6.892 11.758 340 HB2 ASN 28 HB2 ASN 28 -10.638 9.914 11.495 341 HB3 ASN 28 HB1 ASN 28 -11.898 8.889 12.158 342 HD21 ASN 28 HD21 ASN 28 -10.167 11.095 13.260 343 HD22 ASN 28 HD22 ASN 28 -9.532 10.434 14.716 344 H ILE 29 HN ILE 29 -12.848 7.819 10.777 345 HA ILE 29 HA ILE 29 -12.726 7.282 7.948 346 HB ILE 29 HB ILE 29 -15.064 8.062 9.749 347 HG12 ILE 29 HG12 ILE 29 -14.281 5.797 10.216 348 HG13 ILE 29 HG11 ILE 29 -15.836 5.747 9.415 349 HG21 ILE 29 HG21 ILE 29 -15.237 7.206 6.861 350 HG22 ILE 29 HG22 ILE 29 -15.508 8.838 7.468 351 HG23 ILE 29 HG23 ILE 29 -16.601 7.536 7.932 352 HD11 ILE 29 HD11 ILE 29 -14.718 5.209 7.305 353 HD12 ILE 29 HD12 ILE 29 -14.414 4.029 8.576 354 HD13 ILE 29 HD13 ILE 29 -13.165 5.197 8.148 355 H ASP 30 HN ASP 30 -13.070 8.712 6.335 356 HA ASP 30 HA ASP 30 -13.151 10.595 5.189 357 HB2 ASP 30 HB2 ASP 30 -14.144 11.779 7.758 358 HB3 ASP 30 HB1 ASP 30 -13.686 12.842 6.431 359 H ASP 31 HN ASP 31 -10.816 9.647 6.893 360 HA ASP 31 HA ASP 31 -9.192 12.026 6.902 361 HB2 ASP 31 HB2 ASP 31 -8.972 10.117 8.532 362 HB3 ASP 31 HB1 ASP 31 -8.349 9.123 7.214 363 H GLU 32 HN GLU 32 -8.085 12.613 5.201 364 HA GLU 32 HA GLU 32 -8.602 11.208 2.778 365 HB2 GLU 32 HB2 GLU 32 -7.453 13.048 1.623 366 HB3 GLU 32 HB1 GLU 32 -8.706 13.606 2.695 367 HG2 GLU 32 HG2 GLU 32 -5.861 13.571 3.571 368 HG3 GLU 32 HG1 GLU 32 -6.517 14.891 2.611 369 H VAL 33 HN VAL 33 -7.114 10.347 1.391 370 HA VAL 33 HA VAL 33 -4.530 9.788 2.542 371 HB VAL 33 HB VAL 33 -4.580 7.406 2.382 372 HG11 VAL 33 HG11 VAL 33 -5.667 8.272 4.376 373 HG12 VAL 33 HG12 VAL 33 -6.315 6.692 3.845 374 HG13 VAL 33 HG13 VAL 33 -7.205 8.177 3.481 375 HG21 VAL 33 HG21 VAL 33 -5.814 7.192 0.326 376 HG22 VAL 33 HG22 VAL 33 -7.324 7.580 1.213 377 HG23 VAL 33 HG23 VAL 33 -6.435 6.102 1.568 378 H LYS 34 HN LYS 34 -3.022 9.010 1.244 379 HA LYS 34 HA LYS 34 -3.347 9.740 -1.580 380 HB2 LYS 34 HB2 LYS 34 -0.991 9.526 0.268 381 HB3 LYS 34 HB1 LYS 34 -0.804 9.607 -1.475 382 HG2 LYS 34 HG2 LYS 34 -1.705 11.792 -1.561 383 HG3 LYS 34 HG1 LYS 34 -2.264 11.699 0.107 384 HD2 LYS 34 HD2 LYS 34 -0.158 13.061 -0.286 385 HD3 LYS 34 HD1 LYS 34 -0.052 11.821 0.964 386 HE2 LYS 34 HE2 LYS 34 1.951 11.884 -0.465 387 HE3 LYS 34 HE1 LYS 34 1.116 10.342 -0.566 388 HZ1 LYS 34 HZ1 LYS 34 0.050 11.267 -2.639 389 HZ2 LYS 34 HZ2 LYS 34 1.652 10.866 -2.720 390 HZ3 LYS 34 HZ3 LYS 34 1.190 12.511 -2.592 391 H ILE 35 HN ILE 35 -3.658 8.041 -2.893 392 HA ILE 35 HA ILE 35 -2.398 5.516 -2.165 393 HB ILE 35 HB ILE 35 -4.411 6.055 -4.397 394 HG12 ILE 35 HG12 ILE 35 -5.862 4.411 -3.016 395 HG13 ILE 35 HG11 ILE 35 -4.748 4.734 -1.699 396 HG21 ILE 35 HG21 ILE 35 -4.494 3.606 -4.686 397 HG22 ILE 35 HG22 ILE 35 -3.181 3.452 -3.519 398 HG23 ILE 35 HG23 ILE 35 -2.907 4.289 -5.042 399 HD11 ILE 35 HD11 ILE 35 -6.763 6.055 -1.499 400 HD12 ILE 35 HD12 ILE 35 -6.475 6.753 -3.096 401 HD13 ILE 35 HD13 ILE 35 -5.364 7.096 -1.770 402 H ASP 36 HN ASP 36 -0.328 5.722 -2.701 403 HA ASP 36 HA ASP 36 0.343 6.714 -5.380 404 HB2 ASP 36 HB2 ASP 36 1.965 6.444 -2.856 405 HB3 ASP 36 HB1 ASP 36 2.790 6.398 -4.407 406 H LEU 37 HN LEU 37 0.902 5.262 -6.986 407 HA LEU 37 HA LEU 37 1.170 2.581 -6.234 408 HB2 LEU 37 HB2 LEU 37 -0.225 3.524 -8.156 409 HB3 LEU 37 HB1 LEU 37 1.325 3.969 -8.855 410 HG LEU 37 HG LEU 37 0.242 1.934 -9.819 411 HD11 LEU 37 HD11 LEU 37 2.944 1.633 -8.640 412 HD12 LEU 37 HD12 LEU 37 2.542 2.457 -10.136 413 HD13 LEU 37 HD13 LEU 37 2.322 0.693 -10.015 414 HD21 LEU 37 HD21 LEU 37 0.327 -0.123 -8.640 415 HD22 LEU 37 HD22 LEU 37 -0.513 1.092 -7.636 416 HD23 LEU 37 HD23 LEU 37 1.156 0.649 -7.288 417 H VAL 38 HN VAL 38 3.030 1.769 -6.127 418 HA VAL 38 HA VAL 38 5.456 3.073 -7.180 419 HB VAL 38 HB VAL 38 5.278 2.292 -4.242 420 HG11 VAL 38 HG11 VAL 38 7.475 3.388 -4.023 421 HG12 VAL 38 HG12 VAL 38 7.525 3.583 -5.777 422 HG13 VAL 38 HG13 VAL 38 7.500 1.969 -5.063 423 HG21 VAL 38 HG21 VAL 38 5.490 4.683 -3.714 424 HG22 VAL 38 HG22 VAL 38 4.015 4.346 -4.625 425 HG23 VAL 38 HG23 VAL 38 5.411 5.060 -5.436 426 H ASP 39 HN ASP 39 6.519 1.535 -8.240 427 HA ASP 39 HA ASP 39 7.605 -0.404 -8.791 428 HB2 ASP 39 HB2 ASP 39 8.381 -0.169 -6.337 429 HB3 ASP 39 HB1 ASP 39 7.169 -1.381 -5.945 430 H GLY 40 HN GLY 40 4.710 -0.075 -8.834 431 HA2 GLY 40 HA2 GLY 40 2.872 -1.316 -9.533 432 HA3 GLY 40 HA1 GLY 40 3.934 -2.720 -9.601 433 H LYS 41 HN LYS 41 3.579 -0.807 -6.680 434 HA LYS 41 HA LYS 41 1.971 -2.910 -5.448 435 HB2 LYS 41 HB2 LYS 41 4.334 -2.962 -4.915 436 HB3 LYS 41 HB1 LYS 41 4.290 -1.265 -4.485 437 HG2 LYS 41 HG2 LYS 41 2.723 -1.891 -2.633 438 HG3 LYS 41 HG1 LYS 41 3.069 -3.583 -3.028 439 HD2 LYS 41 HD2 LYS 41 5.082 -1.491 -2.411 440 HD3 LYS 41 HD1 LYS 41 4.564 -2.708 -1.220 441 HE2 LYS 41 HE2 LYS 41 6.099 -3.122 -3.818 442 HE3 LYS 41 HE1 LYS 41 6.707 -3.323 -2.188 443 HZ1 LYS 41 HZ1 LYS 41 6.157 -5.395 -3.366 444 HZ2 LYS 41 HZ2 LYS 41 4.512 -5.004 -3.301 445 HZ3 LYS 41 HZ3 LYS 41 5.397 -5.240 -1.876 446 H LEU 42 HN LEU 42 0.378 -2.028 -4.015 447 HA LEU 42 HA LEU 42 -0.082 0.802 -4.396 448 HB2 LEU 42 HB2 LEU 42 -1.799 -1.368 -3.224 449 HB3 LEU 42 HB1 LEU 42 -2.238 0.325 -3.144 450 HG LEU 42 HG LEU 42 -1.679 -1.008 -5.725 451 HD11 LEU 42 HD11 LEU 42 -4.335 -0.864 -4.224 452 HD12 LEU 42 HD12 LEU 42 -3.442 -2.343 -4.576 453 HD13 LEU 42 HD13 LEU 42 -4.170 -1.419 -5.890 454 HD21 LEU 42 HD21 LEU 42 -3.386 0.671 -6.533 455 HD22 LEU 42 HD22 LEU 42 -1.902 1.386 -5.998 456 HD23 LEU 42 HD23 LEU 42 -3.327 1.408 -4.945 457 H ILE 43 HN ILE 43 0.623 2.122 -3.191 458 HA ILE 43 HA ILE 43 1.298 1.448 -0.421 459 HB ILE 43 HB ILE 43 2.084 3.785 -2.105 460 HG12 ILE 43 HG12 ILE 43 3.083 1.735 -2.874 461 HG13 ILE 43 HG11 ILE 43 4.326 2.815 -2.224 462 HG21 ILE 43 HG21 ILE 43 3.742 4.292 -0.298 463 HG22 ILE 43 HG22 ILE 43 2.988 3.014 0.668 464 HG23 ILE 43 HG23 ILE 43 2.057 4.436 0.210 465 HD11 ILE 43 HD11 ILE 43 4.322 1.450 -0.158 466 HD12 ILE 43 HD12 ILE 43 4.769 0.529 -1.590 467 HD13 ILE 43 HD13 ILE 43 3.150 0.367 -0.911 468 H ILE 44 HN ILE 44 -0.246 1.873 0.786 469 HA ILE 44 HA ILE 44 -1.832 4.267 0.307 470 HB ILE 44 HB ILE 44 -2.651 1.757 1.818 471 HG12 ILE 44 HG12 ILE 44 -4.701 1.956 0.382 472 HG13 ILE 44 HG11 ILE 44 -3.976 3.343 -0.403 473 HG21 ILE 44 HG21 ILE 44 -4.690 2.895 2.578 474 HG22 ILE 44 HG22 ILE 44 -4.086 4.416 1.926 475 HG23 ILE 44 HG23 ILE 44 -3.246 3.641 3.268 476 HD11 ILE 44 HD11 ILE 44 -2.133 1.798 -1.143 477 HD12 ILE 44 HD12 ILE 44 -3.712 1.528 -1.842 478 HD13 ILE 44 HD13 ILE 44 -3.137 0.457 -0.570 479 H GLU 45 HN GLU 45 -1.124 5.866 1.185 480 HA GLU 45 HA GLU 45 -0.047 5.796 3.909 481 HB2 GLU 45 HB2 GLU 45 0.475 7.495 1.483 482 HB3 GLU 45 HB1 GLU 45 0.785 8.140 3.080 483 HG2 GLU 45 HG2 GLU 45 2.006 5.571 2.137 484 HG3 GLU 45 HG1 GLU 45 2.740 7.140 1.806 485 HA PRO 46 HA PRO 46 -3.594 8.352 4.577 486 HB2 PRO 46 HB2 PRO 46 -2.799 9.157 7.173 487 HB3 PRO 46 HB1 PRO 46 -3.896 7.841 6.760 488 HG2 PRO 46 HG2 PRO 46 -1.425 7.657 7.878 489 HG3 PRO 46 HG1 PRO 46 -2.342 6.301 7.132 490 HD2 PRO 46 HD2 PRO 46 -0.126 8.013 6.023 491 HD3 PRO 46 HD1 PRO 46 -0.349 6.314 5.667 492 H VAL 47 HN VAL 47 -3.860 10.705 5.271 493 HA VAL 47 HA VAL 47 -1.344 12.043 4.602 494 HB VAL 47 HB VAL 47 -4.039 13.339 4.284 495 HG11 VAL 47 HG11 VAL 47 -2.127 14.880 4.569 496 HG12 VAL 47 HG12 VAL 47 -2.824 14.945 2.926 497 HG13 VAL 47 HG13 VAL 47 -1.343 14.025 3.218 498 HG21 VAL 47 HG21 VAL 47 -3.949 11.585 2.714 499 HG22 VAL 47 HG22 VAL 47 -2.290 12.018 2.259 500 HG23 VAL 47 HG23 VAL 47 -3.625 13.087 1.828 501 H ARG 48 HN ARG 48 -0.418 12.559 6.264 502 HA ARG 48 HA ARG 48 -1.766 13.360 8.658 503 HB2 ARG 48 HB2 ARG 48 1.179 13.511 7.929 504 HB3 ARG 48 HB1 ARG 48 0.505 13.871 9.512 505 HG2 ARG 48 HG2 ARG 48 -0.308 11.543 9.662 506 HG3 ARG 48 HG1 ARG 48 0.494 11.204 8.125 507 HD2 ARG 48 HD2 ARG 48 2.640 11.835 9.114 508 HD3 ARG 48 HD1 ARG 48 1.828 12.174 10.642 509 HE ARG 48 HE ARG 48 1.283 9.544 9.783 510 HH11 ARG 48 HH11 ARG 48 3.755 11.507 11.441 511 HH12 ARG 48 HH12 ARG 48 4.531 10.152 12.124 512 HH21 ARG 48 HH21 ARG 48 2.403 7.710 10.720 513 HH22 ARG 48 HH22 ARG 48 3.779 7.974 11.688 514 H LYS 49 HN LYS 49 -1.808 15.494 9.451 515 HA LYS 49 HA LYS 49 -2.277 17.132 7.204 516 HB2 LYS 49 HB2 LYS 49 -3.079 17.498 10.100 517 HB3 LYS 49 HB1 LYS 49 -3.494 18.600 8.800 518 HG2 LYS 49 HG2 LYS 49 -5.432 17.225 9.199 519 HG3 LYS 49 HG1 LYS 49 -4.720 16.667 7.682 520 HD2 LYS 49 HD2 LYS 49 -3.709 14.832 8.730 521 HD3 LYS 49 HD1 LYS 49 -4.108 15.425 10.339 522 HE2 LYS 49 HE2 LYS 49 -5.640 13.701 9.968 523 HE3 LYS 49 HE1 LYS 49 -6.574 15.088 9.413 524 HZ1 LYS 49 HZ1 LYS 49 -6.327 14.375 7.146 525 HZ2 LYS 49 HZ2 LYS 49 -6.425 12.937 8.014 526 HZ3 LYS 49 HZ3 LYS 49 -4.944 13.491 7.524 527 H GLU 50 HN GLU 50 -0.854 18.113 6.588 528 HA GLU 50 HA GLU 50 0.782 19.645 6.201 529 HB2 GLU 50 HB2 GLU 50 0.133 21.023 8.136 530 HB3 GLU 50 HB1 GLU 50 1.015 19.959 9.217 531 HG2 GLU 50 HG2 GLU 50 3.109 20.623 8.209 532 HG3 GLU 50 HG1 GLU 50 2.254 21.617 7.029 533 H1 ASN -16 HT1 ASN -16 15.934 28.660 10.134 534 H2 ASN -16 HT2 ASN -16 14.538 28.053 9.391 535 H3 ASN -16 HT3 ASN -16 14.522 29.603 10.050 536 HA ASN -16 HA ASN -16 16.047 30.369 8.430 537 HB2 ASN -16 HB2 ASN -16 16.715 28.958 6.547 538 HB3 ASN -16 HB1 ASN -16 17.236 28.194 8.037 539 HD21 ASN -16 HD21 ASN -16 16.663 27.085 5.353 540 HD22 ASN -16 HD22 ASN -16 15.477 25.853 5.631 541 H HIS -15 HN HIS -15 15.317 30.595 6.024 542 HA HIS -15 HA HIS -15 12.476 30.031 5.764 543 HB2 HIS -15 HB2 HIS -15 12.779 32.374 6.580 544 HB3 HIS -15 HB1 HIS -15 13.802 32.702 5.192 545 HD1 HIS -15 HD1 HIS -15 10.294 32.752 6.276 546 HD2 HIS -15 HD2 HIS -15 12.367 32.610 2.683 547 HE1 HIS -15 HE1 HIS -15 8.657 33.465 4.491 548 H LYS -14 HN LYS -14 12.517 28.687 4.076 549 HA LYS -14 HA LYS -14 14.477 29.053 1.995 550 HB2 LYS -14 HB2 LYS -14 13.810 26.757 2.629 551 HB3 LYS -14 HB1 LYS -14 12.159 27.096 2.141 552 HG2 LYS -14 HG2 LYS -14 13.290 25.783 0.444 553 HG3 LYS -14 HG1 LYS -14 12.901 27.383 -0.181 554 HD2 LYS -14 HD2 LYS -14 15.129 26.786 -0.902 555 HD3 LYS -14 HD1 LYS -14 15.257 28.078 0.278 556 HE2 LYS -14 HE2 LYS -14 16.962 26.416 0.700 557 HE3 LYS -14 HE1 LYS -14 15.801 26.389 2.021 558 HZ1 LYS -14 HZ1 LYS -14 14.745 24.459 0.921 559 HZ2 LYS -14 HZ2 LYS -14 16.300 24.148 1.392 560 HZ3 LYS -14 HZ3 LYS -14 15.963 24.439 -0.226 561 H VAL -13 HN VAL -13 14.136 30.874 1.000 562 HA VAL -13 HA VAL -13 11.690 32.059 0.426 563 HB VAL -13 HB VAL -13 12.912 33.579 -1.068 564 HG11 VAL -13 HG11 VAL -13 14.556 34.413 0.569 565 HG12 VAL -13 HG12 VAL -13 14.376 32.910 1.473 566 HG13 VAL -13 HG13 VAL -13 13.005 34.001 1.291 567 HG21 VAL -13 HG21 VAL -13 14.415 31.968 -2.155 568 HG22 VAL -13 HG22 VAL -13 15.279 31.752 -0.632 569 HG23 VAL -13 HG23 VAL -13 15.325 33.310 -1.456 570 H HIS -12 HN HIS -12 10.332 32.047 -1.233 571 HA HIS -12 HA HIS -12 10.671 29.898 -3.144 572 HB2 HIS -12 HB2 HIS -12 8.510 30.110 -1.893 573 HB3 HIS -12 HB1 HIS -12 8.264 31.681 -2.635 574 HD1 HIS -12 HD1 HIS -12 7.118 31.687 -4.921 575 HD2 HIS -12 HD2 HIS -12 8.387 27.915 -3.732 576 HE1 HIS -12 HE1 HIS -12 6.123 30.064 -6.564 577 H HIS -11 HN HIS -11 12.200 30.745 -4.452 578 HA HIS -11 HA HIS -11 11.256 32.811 -6.287 579 HB2 HIS -11 HB2 HIS -11 12.885 33.906 -4.777 580 HB3 HIS -11 HB1 HIS -11 14.052 32.634 -5.102 581 HD1 HIS -11 HD1 HIS -11 12.638 35.795 -6.560 582 HD2 HIS -11 HD2 HIS -11 15.364 32.826 -7.568 583 HE1 HIS -11 HE1 HIS -11 13.962 36.679 -8.519 584 H HIS -10 HN HIS -10 10.743 31.404 -7.845 585 HA HIS -10 HA HIS -10 10.912 29.945 -9.529 586 HB2 HIS -10 HB2 HIS -10 13.896 30.498 -9.303 587 HB3 HIS -10 HB1 HIS -10 13.163 29.577 -10.610 588 HD1 HIS -10 HD1 HIS -10 14.528 32.744 -10.234 589 HD2 HIS -10 HD2 HIS -10 10.848 31.424 -11.641 590 HE1 HIS -10 HE1 HIS -10 13.631 34.592 -11.680 591 H HIS -9 HN HIS -9 11.003 29.132 -6.791 592 HA HIS -9 HA HIS -9 12.577 26.705 -6.713 593 HB2 HIS -9 HB2 HIS -9 12.167 28.141 -4.661 594 HB3 HIS -9 HB1 HIS -9 10.476 27.669 -4.746 595 HD1 HIS -9 HD1 HIS -9 9.895 25.213 -3.946 596 HD2 HIS -9 HD2 HIS -9 13.926 26.211 -3.745 597 HE1 HIS -9 HE1 HIS -9 10.976 23.446 -2.538 598 H HIS -8 HN HIS -8 11.804 25.298 -8.163 599 HA HIS -8 HA HIS -8 9.071 24.408 -7.817 600 HB2 HIS -8 HB2 HIS -8 8.927 26.076 -9.604 601 HB3 HIS -8 HB1 HIS -8 10.227 25.273 -10.473 602 HD1 HIS -8 HD1 HIS -8 9.462 23.663 -12.243 603 HD2 HIS -8 HD2 HIS -8 6.562 24.314 -9.340 604 HE1 HIS -8 HE1 HIS -8 7.432 22.423 -13.010 605 H HIS -7 HN HIS -7 9.141 22.352 -7.588 606 HA HIS -7 HA HIS -7 11.178 20.767 -8.966 607 HB2 HIS -7 HB2 HIS -7 9.433 20.091 -6.557 608 HB3 HIS -7 HB1 HIS -7 10.521 18.971 -7.359 609 HD1 HIS -7 HD1 HIS -7 12.875 18.867 -6.469 610 HD2 HIS -7 HD2 HIS -7 10.839 22.285 -5.258 611 HE1 HIS -7 HE1 HIS -7 14.365 20.019 -4.797 612 H MET -6 HN MET -6 10.388 19.027 -10.236 613 HA MET -6 HA MET -6 7.712 19.544 -11.163 614 HB2 MET -6 HB2 MET -6 9.831 17.719 -12.293 615 HB3 MET -6 HB1 MET -6 8.213 17.873 -12.966 616 HG2 MET -6 HG2 MET -6 8.637 20.291 -13.302 617 HG3 MET -6 HG1 MET -6 10.285 20.031 -12.738 618 HE1 MET -6 HE1 MET -6 10.719 20.648 -16.594 619 HE2 MET -6 HE2 MET -6 11.183 21.179 -14.976 620 HE3 MET -6 HE3 MET -6 9.526 21.403 -15.535 621 H SER -5 HN SER -5 6.849 18.925 -9.214 622 HA SER -5 HA SER -5 6.866 16.190 -8.408 623 HB2 SER -5 HB2 SER -5 5.162 18.502 -7.478 624 HB3 SER -5 HB1 SER -5 5.444 16.979 -6.621 625 HG SER -5 HG SER -5 7.798 17.787 -7.092 626 H ASP -4 HN ASP -4 5.197 18.031 -10.700 627 HA ASP -4 HA ASP -4 2.611 16.939 -10.635 628 HB2 ASP -4 HB2 ASP -4 2.332 17.744 -12.897 629 HB3 ASP -4 HB1 ASP -4 3.270 18.928 -12.005 630 H ASP -3 HN ASP -3 5.519 15.703 -11.820 631 HA ASP -3 HA ASP -3 4.323 13.526 -13.316 632 HB2 ASP -3 HB2 ASP -3 6.491 14.333 -14.063 633 HB3 ASP -3 HB1 ASP -3 7.204 13.966 -12.497 634 H ASP -2 HN ASP -2 5.870 13.919 -10.190 635 HA ASP -2 HA ASP -2 5.587 11.109 -9.542 636 HB2 ASP -2 HB2 ASP -2 7.538 12.341 -8.679 637 HB3 ASP -2 HB1 ASP -2 6.472 13.430 -7.803 638 H ASP -1 HN ASP -1 3.604 13.720 -9.540 639 HA ASP -1 HA ASP -1 1.980 13.092 -7.294 640 HB2 ASP -1 HB2 ASP -1 2.054 15.373 -8.252 641 HB3 ASP -1 HB1 ASP -1 1.328 14.760 -9.733 642 H LYS 0 HN LYS 0 1.731 11.047 -7.502 643 HA LYS 0 HA LYS 0 -0.184 10.022 -9.508 644 HB2 LYS 0 HB2 LYS 0 1.036 7.908 -9.434 645 HB3 LYS 0 HB1 LYS 0 2.151 9.209 -9.843 646 HG2 LYS 0 HG2 LYS 0 2.725 9.265 -7.327 647 HG3 LYS 0 HG1 LYS 0 1.884 7.725 -7.250 648 HD2 LYS 0 HD2 LYS 0 3.454 6.804 -8.855 649 HD3 LYS 0 HD1 LYS 0 4.269 8.369 -8.960 650 HE2 LYS 0 HE2 LYS 0 4.021 6.615 -6.512 651 HE3 LYS 0 HE1 LYS 0 5.487 6.943 -7.428 652 HZ1 LYS 0 HZ1 LYS 0 5.405 8.229 -5.416 653 HZ2 LYS 0 HZ2 LYS 0 3.939 8.901 -5.810 654 HZ3 LYS 0 HZ3 LYS 0 5.343 9.291 -6.720 655 H GLY 1 HN GLY 1 0.232 10.936 -6.427 656 HA2 GLY 1 HA2 GLY 1 -0.902 8.638 -5.074 657 HA3 GLY 1 HA1 GLY 1 -0.362 10.143 -4.328 658 H ILE 2 HN ILE 2 -2.811 8.591 -6.108 659 HA ILE 2 HA ILE 2 -4.627 10.647 -6.531 660 HB ILE 2 HB ILE 2 -5.189 7.706 -6.044 661 HG12 ILE 2 HG12 ILE 2 -4.737 9.219 -8.625 662 HG13 ILE 2 HG11 ILE 2 -3.527 8.223 -7.830 663 HG21 ILE 2 HG21 ILE 2 -6.877 9.727 -7.545 664 HG22 ILE 2 HG22 ILE 2 -7.193 9.225 -5.897 665 HG23 ILE 2 HG23 ILE 2 -7.286 8.043 -7.200 666 HD11 ILE 2 HD11 ILE 2 -4.941 6.271 -8.149 667 HD12 ILE 2 HD12 ILE 2 -4.562 7.065 -9.679 668 HD13 ILE 2 HD13 ILE 2 -6.150 7.282 -8.943 669 H HIS 3 HN HIS 3 -5.768 11.815 -5.207 670 HA HIS 3 HA HIS 3 -5.799 11.253 -2.424 671 HB2 HIS 3 HB2 HIS 3 -6.781 13.553 -4.060 672 HB3 HIS 3 HB1 HIS 3 -7.230 13.395 -2.364 673 HD1 HIS 3 HD1 HIS 3 -4.619 14.797 -4.477 674 HD2 HIS 3 HD2 HIS 3 -4.873 13.195 -0.659 675 HE1 HIS 3 HE1 HIS 3 -2.649 15.705 -3.201 676 H SER 4 HN SER 4 -7.131 10.169 -1.451 677 HA SER 4 HA SER 4 -9.943 10.214 -2.141 678 HB2 SER 4 HB2 SER 4 -8.164 7.859 -1.772 679 HB3 SER 4 HB1 SER 4 -9.896 7.680 -1.581 680 HG SER 4 HG SER 4 -8.818 8.936 -3.858 681 H SER 5 HN SER 5 -10.714 8.494 -0.079 682 HA SER 5 HA SER 5 -9.380 9.334 2.318 683 HB2 SER 5 HB2 SER 5 -12.249 10.143 1.734 684 HB3 SER 5 HB1 SER 5 -11.464 10.283 3.304 685 HG SER 5 HG SER 5 -10.047 11.425 1.259 686 H VAL 6 HN VAL 6 -10.057 8.108 4.093 687 HA VAL 6 HA VAL 6 -11.069 5.496 3.445 688 HB VAL 6 HB VAL 6 -10.551 6.740 6.167 689 HG11 VAL 6 HG11 VAL 6 -12.037 4.736 6.161 690 HG12 VAL 6 HG12 VAL 6 -10.529 4.508 7.031 691 HG13 VAL 6 HG13 VAL 6 -10.726 3.816 5.419 692 HG21 VAL 6 HG21 VAL 6 -8.582 6.755 4.846 693 HG22 VAL 6 HG22 VAL 6 -8.877 5.084 4.364 694 HG23 VAL 6 HG23 VAL 6 -8.433 5.450 6.047 695 H LYS 7 HN LYS 7 -13.192 5.272 3.051 696 HA LYS 7 HA LYS 7 -14.968 7.000 4.581 697 HB2 LYS 7 HB2 LYS 7 -15.308 5.600 1.947 698 HB3 LYS 7 HB1 LYS 7 -16.579 6.506 2.828 699 HG2 LYS 7 HG2 LYS 7 -14.018 7.746 1.910 700 HG3 LYS 7 HG1 LYS 7 -15.455 7.669 0.887 701 HD2 LYS 7 HD2 LYS 7 -16.713 8.753 2.753 702 HD3 LYS 7 HD1 LYS 7 -15.170 9.015 3.565 703 HE2 LYS 7 HE2 LYS 7 -14.373 10.396 1.784 704 HE3 LYS 7 HE1 LYS 7 -15.757 9.989 0.772 705 HZ1 LYS 7 HZ1 LYS 7 -16.021 12.167 1.748 706 HZ2 LYS 7 HZ2 LYS 7 -15.869 11.536 3.319 707 HZ3 LYS 7 HZ3 LYS 7 -17.182 11.114 2.379 708 H ARG 8 HN ARG 8 -17.133 5.872 4.954 709 HA ARG 8 HA ARG 8 -16.480 3.279 6.146 710 HB2 ARG 8 HB2 ARG 8 -17.177 5.078 7.662 711 HB3 ARG 8 HB1 ARG 8 -18.698 5.207 6.795 712 HG2 ARG 8 HG2 ARG 8 -19.248 2.918 7.460 713 HG3 ARG 8 HG1 ARG 8 -17.736 2.836 8.370 714 HD2 ARG 8 HD2 ARG 8 -19.879 4.887 8.808 715 HD3 ARG 8 HD1 ARG 8 -19.740 3.395 9.742 716 HE ARG 8 HE ARG 8 -17.539 4.228 10.475 717 HH11 ARG 8 HH11 ARG 8 -19.843 6.674 9.261 718 HH12 ARG 8 HH12 ARG 8 -19.230 7.909 10.235 719 HH21 ARG 8 HH21 ARG 8 -16.751 5.954 11.821 720 HH22 ARG 8 HH22 ARG 8 -17.448 7.509 11.719 721 H TRP 9 HN TRP 9 -17.043 1.699 4.823 722 HA TRP 9 HA TRP 9 -19.458 1.822 3.170 723 HB2 TRP 9 HB2 TRP 9 -17.263 1.034 2.199 724 HB3 TRP 9 HB1 TRP 9 -17.255 -0.234 3.384 725 HD1 TRP 9 HD1 TRP 9 -20.676 0.075 1.952 726 HE1 TRP 9 HE1 TRP 9 -21.066 -1.682 0.205 727 HE3 TRP 9 HE3 TRP 9 -15.804 -1.757 1.249 728 HZ2 TRP 9 HZ2 TRP 9 -19.732 -3.600 -1.168 729 HZ3 TRP 9 HZ3 TRP 9 -15.573 -3.522 -0.274 730 HH2 TRP 9 HH2 TRP 9 -17.545 -4.441 -1.509 731 H GLY 10 HN GLY 10 -21.092 1.617 4.648 732 HA2 GLY 10 HA2 GLY 10 -22.561 0.412 5.921 733 HA3 GLY 10 HA1 GLY 10 -21.485 -0.989 5.784 734 H ASN 11 HN ASN 11 -20.753 -1.565 7.690 735 HA ASN 11 HA ASN 11 -19.978 0.581 9.529 736 HB2 ASN 11 HB2 ASN 11 -20.609 -2.319 10.051 737 HB3 ASN 11 HB1 ASN 11 -19.932 -1.255 11.273 738 HD21 ASN 11 HD21 ASN 11 -22.425 -2.639 11.243 739 HD22 ASN 11 HD22 ASN 11 -23.675 -1.448 11.387 740 H SER 12 HN SER 12 -18.219 -0.371 7.182 741 HA SER 12 HA SER 12 -15.963 -1.117 8.807 742 HB2 SER 12 HB2 SER 12 -16.750 -2.329 6.164 743 HB3 SER 12 HB1 SER 12 -15.304 -2.742 7.110 744 HG SER 12 HG SER 12 -16.885 -3.334 8.795 745 HA PRO 13 HA PRO 13 -14.386 2.366 6.410 746 HB2 PRO 13 HB2 PRO 13 -11.721 1.801 6.967 747 HB3 PRO 13 HB1 PRO 13 -12.771 2.806 7.959 748 HG2 PRO 13 HG2 PRO 13 -11.944 -0.013 8.322 749 HG3 PRO 13 HG1 PRO 13 -12.312 1.218 9.536 750 HD2 PRO 13 HD2 PRO 13 -13.997 -0.823 8.890 751 HD3 PRO 13 HD1 PRO 13 -14.576 0.743 9.483 752 H ALA 14 HN ALA 14 -13.929 2.438 4.283 753 HA ALA 14 HA ALA 14 -12.319 0.328 3.105 754 HB1 ALA 14 HB1 ALA 14 -13.879 0.076 1.259 755 HB2 ALA 14 HB2 ALA 14 -14.971 1.246 1.997 756 HB3 ALA 14 HB3 ALA 14 -14.677 -0.304 2.786 757 H VAL 15 HN VAL 15 -11.151 0.984 1.381 758 HA VAL 15 HA VAL 15 -11.244 3.851 0.744 759 HB VAL 15 HB VAL 15 -8.854 1.954 0.619 760 HG11 VAL 15 HG11 VAL 15 -8.756 3.570 -1.225 761 HG12 VAL 15 HG12 VAL 15 -7.518 3.918 -0.018 762 HG13 VAL 15 HG13 VAL 15 -8.984 4.895 -0.083 763 HG21 VAL 15 HG21 VAL 15 -7.894 3.382 2.350 764 HG22 VAL 15 HG22 VAL 15 -9.437 2.705 2.886 765 HG23 VAL 15 HG23 VAL 15 -9.348 4.377 2.337 766 H ARG 16 HN ARG 16 -11.483 4.441 -1.336 767 HA ARG 16 HA ARG 16 -12.386 2.506 -3.224 768 HB2 ARG 16 HB2 ARG 16 -11.978 5.457 -3.310 769 HB3 ARG 16 HB1 ARG 16 -12.435 4.550 -4.740 770 HG2 ARG 16 HG2 ARG 16 -14.458 3.810 -3.554 771 HG3 ARG 16 HG1 ARG 16 -13.985 4.812 -2.173 772 HD2 ARG 16 HD2 ARG 16 -14.044 6.780 -3.490 773 HD3 ARG 16 HD1 ARG 16 -14.307 5.863 -4.968 774 HE ARG 16 HE ARG 16 -16.377 5.313 -3.182 775 HH11 ARG 16 HH11 ARG 16 -15.194 7.958 -5.233 776 HH12 ARG 16 HH12 ARG 16 -16.706 8.711 -5.383 777 HH21 ARG 16 HH21 ARG 16 -18.466 6.355 -3.403 778 HH22 ARG 16 HH22 ARG 16 -18.629 7.770 -4.326 779 H ILE 17 HN ILE 17 -11.243 1.582 -4.791 780 HA ILE 17 HA ILE 17 -8.623 2.661 -5.434 781 HB ILE 17 HB ILE 17 -9.762 -0.146 -5.681 782 HG12 ILE 17 HG12 ILE 17 -7.507 -0.740 -4.655 783 HG13 ILE 17 HG11 ILE 17 -7.320 0.988 -4.377 784 HG21 ILE 17 HG21 ILE 17 -8.747 0.250 -7.824 785 HG22 ILE 17 HG22 ILE 17 -7.804 -0.881 -6.825 786 HG23 ILE 17 HG23 ILE 17 -7.258 0.788 -7.011 787 HD11 ILE 17 HD11 ILE 17 -8.103 -0.224 -2.432 788 HD12 ILE 17 HD12 ILE 17 -9.530 -0.703 -3.388 789 HD13 ILE 17 HD13 ILE 17 -9.246 1.006 -3.009 790 HA PRO 18 HA PRO 18 -10.544 4.020 -9.237 791 HB2 PRO 18 HB2 PRO 18 -7.801 4.149 -10.307 792 HB3 PRO 18 HB1 PRO 18 -8.993 5.431 -10.097 793 HG2 PRO 18 HG2 PRO 18 -6.810 5.254 -8.545 794 HG3 PRO 18 HG1 PRO 18 -8.356 5.893 -7.962 795 HD2 PRO 18 HD2 PRO 18 -7.105 3.227 -7.496 796 HD3 PRO 18 HD1 PRO 18 -8.059 4.258 -6.400 797 H ALA 19 HN ALA 19 -11.196 2.904 -11.001 798 HA ALA 19 HA ALA 19 -10.510 0.223 -11.387 799 HB1 ALA 19 HB1 ALA 19 -12.642 1.300 -12.105 800 HB2 ALA 19 HB2 ALA 19 -11.905 0.246 -13.299 801 HB3 ALA 19 HB3 ALA 19 -11.769 1.996 -13.477 802 H THR 20 HN THR 20 -9.143 3.109 -12.691 803 HA THR 20 HA THR 20 -7.635 2.107 -14.806 804 HB THR 20 HB THR 20 -6.826 4.286 -12.865 805 HG1 THR 20 HG1 THR 20 -8.511 4.479 -15.163 806 HG21 THR 20 HG21 THR 20 -5.136 3.682 -14.545 807 HG22 THR 20 HG22 THR 20 -5.793 5.289 -14.851 808 HG23 THR 20 HG23 THR 20 -6.325 3.919 -15.830 809 H LEU 21 HN LEU 21 -7.037 2.158 -11.311 810 HA LEU 21 HA LEU 21 -4.337 1.209 -11.479 811 HB2 LEU 21 HB2 LEU 21 -6.248 1.811 -9.309 812 HB3 LEU 21 HB1 LEU 21 -4.900 0.756 -8.945 813 HG LEU 21 HG LEU 21 -4.649 3.126 -8.406 814 HD11 LEU 21 HD11 LEU 21 -2.666 1.905 -10.366 815 HD12 LEU 21 HD12 LEU 21 -2.691 1.642 -8.624 816 HD13 LEU 21 HD13 LEU 21 -2.271 3.228 -9.270 817 HD21 LEU 21 HD21 LEU 21 -5.587 4.268 -10.260 818 HD22 LEU 21 HD22 LEU 21 -4.584 3.359 -11.377 819 HD23 LEU 21 HD23 LEU 21 -3.845 4.599 -10.356 820 H MET 22 HN MET 22 -7.389 -0.106 -10.922 821 HA MET 22 HA MET 22 -6.757 -2.782 -10.308 822 HB2 MET 22 HB2 MET 22 -8.887 -1.962 -12.287 823 HB3 MET 22 HB1 MET 22 -8.748 -3.520 -11.503 824 HG2 MET 22 HG2 MET 22 -9.265 -2.492 -9.361 825 HG3 MET 22 HG1 MET 22 -9.342 -0.913 -10.137 826 HE1 MET 22 HE1 MET 22 -12.241 -4.368 -11.103 827 HE2 MET 22 HE2 MET 22 -10.954 -4.502 -9.903 828 HE3 MET 22 HE3 MET 22 -10.561 -4.357 -11.614 829 H GLN 23 HN GLN 23 -7.051 -1.253 -13.406 830 HA GLN 23 HA GLN 23 -6.238 -3.444 -15.006 831 HB2 GLN 23 HB2 GLN 23 -6.307 -0.494 -15.528 832 HB3 GLN 23 HB1 GLN 23 -6.078 -1.733 -16.760 833 HG2 GLN 23 HG2 GLN 23 -8.187 -2.675 -16.254 834 HG3 GLN 23 HG1 GLN 23 -8.448 -1.528 -14.953 835 HE21 GLN 23 HE21 GLN 23 -8.964 0.543 -15.389 836 HE22 GLN 23 HE22 GLN 23 -9.452 1.123 -16.941 837 H ALA 24 HN ALA 24 -4.588 -0.981 -13.312 838 HA ALA 24 HA ALA 24 -2.107 -1.230 -14.740 839 HB1 ALA 24 HB1 ALA 24 -2.641 0.811 -13.461 840 HB2 ALA 24 HB2 ALA 24 -1.113 0.099 -12.949 841 HB3 ALA 24 HB3 ALA 24 -2.560 -0.121 -11.966 842 H LEU 25 HN LEU 25 -3.553 -2.810 -11.990 843 HA LEU 25 HA LEU 25 -1.110 -4.333 -11.556 844 HB2 LEU 25 HB2 LEU 25 -3.556 -3.934 -9.892 845 HB3 LEU 25 HB1 LEU 25 -2.175 -4.924 -9.440 846 HG LEU 25 HG LEU 25 -1.944 -1.988 -10.050 847 HD11 LEU 25 HD11 LEU 25 -1.830 -1.681 -7.651 848 HD12 LEU 25 HD12 LEU 25 -2.270 -3.387 -7.433 849 HD13 LEU 25 HD13 LEU 25 -3.404 -2.265 -8.196 850 HD21 LEU 25 HD21 LEU 25 -0.125 -3.952 -8.675 851 HD22 LEU 25 HD22 LEU 25 0.164 -2.227 -8.822 852 HD23 LEU 25 HD23 LEU 25 0.131 -3.235 -10.267 853 H ASN 26 HN ASN 26 -3.796 -4.537 -13.333 854 HA ASN 26 HA ASN 26 -4.966 -6.112 -14.426 855 HB2 ASN 26 HB2 ASN 26 -2.595 -7.846 -13.703 856 HB3 ASN 26 HB1 ASN 26 -3.866 -8.344 -14.813 857 HD21 ASN 26 HD21 ASN 26 -1.063 -6.368 -14.370 858 HD22 ASN 26 HD22 ASN 26 -0.937 -5.811 -15.986 859 H LEU 27 HN LEU 27 -5.493 -5.799 -11.548 860 HA LEU 27 HA LEU 27 -6.461 -8.449 -10.883 861 HB2 LEU 27 HB2 LEU 27 -6.706 -7.556 -8.631 862 HB3 LEU 27 HB1 LEU 27 -5.052 -7.475 -9.191 863 HG LEU 27 HG LEU 27 -5.771 -4.970 -9.752 864 HD11 LEU 27 HD11 LEU 27 -8.084 -5.176 -9.096 865 HD12 LEU 27 HD12 LEU 27 -7.223 -4.070 -8.002 866 HD13 LEU 27 HD13 LEU 27 -7.578 -5.716 -7.492 867 HD21 LEU 27 HD21 LEU 27 -3.950 -5.611 -8.317 868 HD22 LEU 27 HD22 LEU 27 -5.069 -5.919 -6.979 869 HD23 LEU 27 HD23 LEU 27 -4.867 -4.283 -7.623 870 H ASN 28 HN ASN 28 -8.648 -8.588 -9.997 871 HA ASN 28 HA ASN 28 -10.435 -6.557 -11.169 872 HB2 ASN 28 HB2 ASN 28 -10.936 -9.551 -11.185 873 HB3 ASN 28 HB1 ASN 28 -11.959 -8.312 -11.880 874 HD21 ASN 28 HD21 ASN 28 -9.159 -10.227 -12.272 875 HD22 ASN 28 HD22 ASN 28 -8.782 -9.790 -13.893 876 H ILE 29 HN ILE 29 -12.865 -7.533 -10.322 877 HA ILE 29 HA ILE 29 -12.798 -7.012 -7.493 878 HB ILE 29 HB ILE 29 -15.105 -7.772 -9.343 879 HG12 ILE 29 HG12 ILE 29 -14.264 -5.528 -9.829 880 HG13 ILE 29 HG11 ILE 29 -15.839 -5.435 -9.070 881 HG21 ILE 29 HG21 ILE 29 -15.317 -6.863 -6.472 882 HG22 ILE 29 HG22 ILE 29 -15.591 -8.498 -7.059 883 HG23 ILE 29 HG23 ILE 29 -16.664 -7.200 -7.567 884 HD11 ILE 29 HD11 ILE 29 -14.767 -4.876 -6.939 885 HD12 ILE 29 HD12 ILE 29 -14.391 -3.727 -8.219 886 HD13 ILE 29 HD13 ILE 29 -13.192 -4.927 -7.740 887 H ASP 30 HN ASP 30 -13.273 -8.448 -5.884 888 HA ASP 30 HA ASP 30 -13.420 -10.344 -4.732 889 HB2 ASP 30 HB2 ASP 30 -14.289 -11.528 -7.354 890 HB3 ASP 30 HB1 ASP 30 -13.936 -12.569 -5.982 891 H ASP 31 HN ASP 31 -11.004 -9.423 -6.344 892 HA ASP 31 HA ASP 31 -9.505 -11.886 -6.369 893 HB2 ASP 31 HB2 ASP 31 -9.223 -9.938 -8.014 894 HB3 ASP 31 HB1 ASP 31 -8.436 -9.077 -6.694 895 H GLU 32 HN GLU 32 -8.314 -12.468 -4.700 896 HA GLU 32 HA GLU 32 -8.772 -11.015 -2.292 897 HB2 GLU 32 HB2 GLU 32 -7.680 -12.852 -1.099 898 HB3 GLU 32 HB1 GLU 32 -8.948 -13.396 -2.156 899 HG2 GLU 32 HG2 GLU 32 -6.105 -13.482 -3.038 900 HG3 GLU 32 HG1 GLU 32 -6.801 -14.756 -2.042 901 H VAL 33 HN VAL 33 -7.268 -10.172 -0.921 902 HA VAL 33 HA VAL 33 -4.662 -9.722 -2.052 903 HB VAL 33 HB VAL 33 -4.655 -7.331 -1.970 904 HG11 VAL 33 HG11 VAL 33 -5.773 -8.181 -3.986 905 HG12 VAL 33 HG12 VAL 33 -6.388 -6.595 -3.473 906 HG13 VAL 33 HG13 VAL 33 -7.308 -8.050 -3.106 907 HG21 VAL 33 HG21 VAL 33 -5.873 -7.009 0.072 908 HG22 VAL 33 HG22 VAL 33 -7.399 -7.408 -0.783 909 HG23 VAL 33 HG23 VAL 33 -6.494 -5.955 -1.202 910 H LYS 34 HN LYS 34 -3.113 -9.000 -0.698 911 HA LYS 34 HA LYS 34 -3.571 -9.688 2.105 912 HB2 LYS 34 HB2 LYS 34 -1.152 -9.552 0.331 913 HB3 LYS 34 HB1 LYS 34 -1.026 -9.639 2.077 914 HG2 LYS 34 HG2 LYS 34 -1.983 -11.800 2.132 915 HG3 LYS 34 HG1 LYS 34 -2.500 -11.688 0.450 916 HD2 LYS 34 HD2 LYS 34 -0.434 -13.105 0.866 917 HD3 LYS 34 HD1 LYS 34 -0.260 -11.841 -0.347 918 HE2 LYS 34 HE2 LYS 34 1.691 -11.966 1.119 919 HE3 LYS 34 HE1 LYS 34 0.878 -10.417 1.254 920 HZ1 LYS 34 HZ1 LYS 34 -0.250 -11.473 3.297 921 HZ2 LYS 34 HZ2 LYS 34 1.300 -10.939 3.401 922 HZ3 LYS 34 HZ3 LYS 34 1.007 -12.614 3.246 923 H ILE 35 HN ILE 35 -3.868 -7.965 3.402 924 HA ILE 35 HA ILE 35 -2.503 -5.486 2.696 925 HB ILE 35 HB ILE 35 -4.575 -5.961 4.891 926 HG12 ILE 35 HG12 ILE 35 -5.942 -4.275 3.483 927 HG13 ILE 35 HG11 ILE 35 -4.817 -4.634 2.188 928 HG21 ILE 35 HG21 ILE 35 -4.603 -3.525 5.194 929 HG22 ILE 35 HG22 ILE 35 -3.266 -3.381 4.051 930 HG23 ILE 35 HG23 ILE 35 -3.036 -4.239 5.574 931 HD11 ILE 35 HD11 ILE 35 -6.870 -5.901 1.958 932 HD12 ILE 35 HD12 ILE 35 -6.620 -6.587 3.570 933 HD13 ILE 35 HD13 ILE 35 -5.505 -6.983 2.261 934 H ASP 36 HN ASP 36 -0.444 -5.803 3.250 935 HA ASP 36 HA ASP 36 0.190 -6.823 5.939 936 HB2 ASP 36 HB2 ASP 36 1.807 -6.623 3.403 937 HB3 ASP 36 HB1 ASP 36 2.658 -6.472 4.924 938 H LEU 37 HN LEU 37 0.686 -5.347 7.561 939 HA LEU 37 HA LEU 37 1.037 -2.682 6.800 940 HB2 LEU 37 HB2 LEU 37 -0.402 -3.586 8.720 941 HB3 LEU 37 HB1 LEU 37 1.133 -4.055 9.424 942 HG LEU 37 HG LEU 37 0.085 -2.003 10.376 943 HD11 LEU 37 HD11 LEU 37 2.802 -1.759 9.224 944 HD12 LEU 37 HD12 LEU 37 2.365 -2.557 10.729 945 HD13 LEU 37 HD13 LEU 37 2.183 -0.790 10.585 946 HD21 LEU 37 HD21 LEU 37 0.227 0.055 9.195 947 HD22 LEU 37 HD22 LEU 37 -0.651 -1.146 8.208 948 HD23 LEU 37 HD23 LEU 37 1.026 -0.748 7.841 949 H VAL 38 HN VAL 38 2.899 -1.904 6.694 950 HA VAL 38 HA VAL 38 5.291 -3.234 7.798 951 HB VAL 38 HB VAL 38 5.153 -2.440 4.862 952 HG11 VAL 38 HG11 VAL 38 7.385 -3.453 4.673 953 HG12 VAL 38 HG12 VAL 38 7.399 -3.717 6.415 954 HG13 VAL 38 HG13 VAL 38 7.361 -2.074 5.774 955 HG21 VAL 38 HG21 VAL 38 5.418 -4.840 4.352 956 HG22 VAL 38 HG22 VAL 38 3.927 -4.524 5.239 957 HG23 VAL 38 HG23 VAL 38 5.320 -5.206 6.074 958 H ASP 39 HN ASP 39 6.419 -1.722 8.850 959 HA ASP 39 HA ASP 39 7.479 0.237 9.416 960 HB2 ASP 39 HB2 ASP 39 8.405 0.021 7.083 961 HB3 ASP 39 HB1 ASP 39 7.072 0.997 6.495 962 H GLY 40 HN GLY 40 4.538 -0.030 9.414 963 HA2 GLY 40 HA2 GLY 40 2.778 1.284 10.196 964 HA3 GLY 40 HA1 GLY 40 3.868 2.666 10.178 965 H LYS 41 HN LYS 41 3.567 0.778 7.283 966 HA LYS 41 HA LYS 41 1.922 2.850 6.051 967 HB2 LYS 41 HB2 LYS 41 4.281 2.854 5.551 968 HB3 LYS 41 HB1 LYS 41 4.205 1.161 5.102 969 HG2 LYS 41 HG2 LYS 41 2.688 1.823 3.247 970 HG3 LYS 41 HG1 LYS 41 3.009 3.513 3.670 971 HD2 LYS 41 HD2 LYS 41 5.028 1.436 3.002 972 HD3 LYS 41 HD1 LYS 41 4.556 2.742 1.886 973 HE2 LYS 41 HE2 LYS 41 6.083 2.911 4.513 974 HE3 LYS 41 HE1 LYS 41 6.656 3.289 2.904 975 HZ1 LYS 41 HZ1 LYS 41 6.141 5.246 4.269 976 HZ2 LYS 41 HZ2 LYS 41 4.485 4.861 4.225 977 HZ3 LYS 41 HZ3 LYS 41 5.313 5.205 2.815 978 H LEU 42 HN LEU 42 0.319 2.000 4.645 979 HA LEU 42 HA LEU 42 -0.260 -0.794 5.026 980 HB2 LEU 42 HB2 LEU 42 -1.803 1.456 3.797 981 HB3 LEU 42 HB1 LEU 42 -2.324 -0.217 3.675 982 HG LEU 42 HG LEU 42 -1.760 1.114 6.250 983 HD11 LEU 42 HD11 LEU 42 -4.424 0.823 4.779 984 HD12 LEU 42 HD12 LEU 42 -3.594 2.345 5.100 985 HD13 LEU 42 HD13 LEU 42 -4.265 1.410 6.435 986 HD21 LEU 42 HD21 LEU 42 -3.220 -0.660 7.159 987 HD22 LEU 42 HD22 LEU 42 -1.787 -1.292 6.355 988 HD23 LEU 42 HD23 LEU 42 -3.350 -1.342 5.542 989 H ILE 43 HN ILE 43 0.502 -2.149 3.838 990 HA ILE 43 HA ILE 43 1.214 -1.507 1.072 991 HB ILE 43 HB ILE 43 1.969 -3.889 2.731 992 HG12 ILE 43 HG12 ILE 43 2.978 -1.834 3.551 993 HG13 ILE 43 HG11 ILE 43 4.206 -2.928 2.897 994 HG21 ILE 43 HG21 ILE 43 3.608 -4.356 0.944 995 HG22 ILE 43 HG22 ILE 43 2.911 -3.035 -0.003 996 HG23 ILE 43 HG23 ILE 43 1.935 -4.448 0.392 997 HD11 ILE 43 HD11 ILE 43 4.255 -1.537 0.856 998 HD12 ILE 43 HD12 ILE 43 4.679 -0.635 2.310 999 HD13 ILE 43 HD13 ILE 43 3.078 -0.449 1.597 1000 H ILE 44 HN ILE 44 -0.292 -1.914 -0.168 1001 HA ILE 44 HA ILE 44 -1.965 -4.263 0.283 1002 HB ILE 44 HB ILE 44 -2.627 -1.738 -1.280 1003 HG12 ILE 44 HG12 ILE 44 -4.699 -1.740 0.101 1004 HG13 ILE 44 HG11 ILE 44 -4.156 -3.206 0.891 1005 HG21 ILE 44 HG21 ILE 44 -4.701 -2.795 -2.062 1006 HG22 ILE 44 HG22 ILE 44 -4.174 -4.330 -1.373 1007 HG23 ILE 44 HG23 ILE 44 -3.273 -3.609 -2.706 1008 HD11 ILE 44 HD11 ILE 44 -2.722 -0.560 1.068 1009 HD12 ILE 44 HD12 ILE 44 -2.405 -2.023 2.002 1010 HD13 ILE 44 HD13 ILE 44 -3.913 -1.146 2.220 1011 H GLU 45 HN GLU 45 -1.209 -5.879 -0.584 1012 HA GLU 45 HA GLU 45 -0.106 -5.800 -3.298 1013 HB2 GLU 45 HB2 GLU 45 0.359 -7.544 -0.890 1014 HB3 GLU 45 HB1 GLU 45 0.675 -8.172 -2.492 1015 HG2 GLU 45 HG2 GLU 45 1.943 -5.651 -1.484 1016 HG3 GLU 45 HG1 GLU 45 2.626 -7.246 -1.170 1017 HA PRO 46 HA PRO 46 -3.682 -8.278 -4.047 1018 HB2 PRO 46 HB2 PRO 46 -2.802 -9.118 -6.604 1019 HB3 PRO 46 HB1 PRO 46 -3.908 -7.789 -6.245 1020 HG2 PRO 46 HG2 PRO 46 -1.410 -7.646 -7.285 1021 HG3 PRO 46 HG1 PRO 46 -2.318 -6.272 -6.561 1022 HD2 PRO 46 HD2 PRO 46 -0.170 -8.031 -5.398 1023 HD3 PRO 46 HD1 PRO 46 -0.372 -6.322 -5.052 1024 H VAL 47 HN VAL 47 -3.976 -10.650 -4.752 1025 HA VAL 47 HA VAL 47 -1.498 -12.049 -4.013 1026 HB VAL 47 HB VAL 47 -4.236 -13.267 -3.787 1027 HG11 VAL 47 HG11 VAL 47 -2.374 -14.873 -4.034 1028 HG12 VAL 47 HG12 VAL 47 -3.116 -14.927 -2.413 1029 HG13 VAL 47 HG13 VAL 47 -1.596 -14.058 -2.654 1030 HG21 VAL 47 HG21 VAL 47 -4.147 -11.542 -2.203 1031 HG22 VAL 47 HG22 VAL 47 -2.503 -12.004 -1.718 1032 HG23 VAL 47 HG23 VAL 47 -3.862 -13.052 -1.311 1033 H ARG 48 HN ARG 48 -0.529 -12.619 -5.669 1034 HA ARG 48 HA ARG 48 -1.847 -13.333 -8.102 1035 HB2 ARG 48 HB2 ARG 48 1.063 -13.597 -7.289 1036 HB3 ARG 48 HB1 ARG 48 0.449 -13.932 -8.904 1037 HG2 ARG 48 HG2 ARG 48 -0.276 -11.575 -9.076 1038 HG3 ARG 48 HG1 ARG 48 0.436 -11.268 -7.493 1039 HD2 ARG 48 HD2 ARG 48 2.639 -11.945 -8.380 1040 HD3 ARG 48 HD1 ARG 48 1.904 -12.193 -9.965 1041 HE ARG 48 HE ARG 48 1.402 -9.581 -8.960 1042 HH11 ARG 48 HH11 ARG 48 3.932 -11.477 -10.588 1043 HH12 ARG 48 HH12 ARG 48 4.674 -10.092 -11.268 1044 HH21 ARG 48 HH21 ARG 48 2.452 -7.738 -9.909 1045 HH22 ARG 48 HH22 ARG 48 3.825 -7.952 -10.890 1046 H LYS 49 HN LYS 49 -1.972 -15.438 -8.936 1047 HA LYS 49 HA LYS 49 -2.499 -17.141 -6.724 1048 HB2 LYS 49 HB2 LYS 49 -3.301 -17.428 -9.624 1049 HB3 LYS 49 HB1 LYS 49 -3.753 -18.525 -8.336 1050 HG2 LYS 49 HG2 LYS 49 -5.641 -17.102 -8.755 1051 HG3 LYS 49 HG1 LYS 49 -4.942 -16.581 -7.216 1052 HD2 LYS 49 HD2 LYS 49 -3.874 -14.762 -8.236 1053 HD3 LYS 49 HD1 LYS 49 -4.257 -15.339 -9.856 1054 HE2 LYS 49 HE2 LYS 49 -5.712 -13.564 -9.466 1055 HE3 LYS 49 HE1 LYS 49 -6.715 -14.950 -9.035 1056 HZ1 LYS 49 HZ1 LYS 49 -6.489 -14.399 -6.708 1057 HZ2 LYS 49 HZ2 LYS 49 -6.664 -12.934 -7.517 1058 HZ3 LYS 49 HZ3 LYS 49 -5.153 -13.431 -7.031 1059 H GLU 50 HN GLU 50 -1.041 -18.118 -6.147 1060 HA GLU 50 HA GLU 50 0.709 -19.542 -5.823 1061 HB2 GLU 50 HB2 GLU 50 -0.225 -21.047 -7.538 1062 HB3 GLU 50 HB1 GLU 50 0.568 -20.110 -8.799 1063 HG2 GLU 50 HG2 GLU 50 2.744 -20.754 -7.901 1064 HG3 GLU 50 HG1 GLU 50 1.951 -21.682 -6.633 Start of MODEL 14 1 H1 ASN -16 HT1 ASN -16 -2.884 18.273 22.363 2 H2 ASN -16 HT2 ASN -16 -3.451 18.993 20.937 3 H3 ASN -16 HT3 ASN -16 -1.789 18.955 21.288 4 HA ASN -16 HA ASN -16 -3.472 16.591 20.785 5 HB2 ASN -16 HB2 ASN -16 -3.003 18.032 18.777 6 HB3 ASN -16 HB1 ASN -16 -1.283 17.848 19.106 7 HD21 ASN -16 HD21 ASN -16 -0.815 16.831 17.233 8 HD22 ASN -16 HD22 ASN -16 -1.361 15.245 16.840 9 H HIS -15 HN HIS -15 -2.181 14.615 20.734 10 HA HIS -15 HA HIS -15 0.216 14.869 22.382 11 HB2 HIS -15 HB2 HIS -15 -1.580 12.456 21.933 12 HB3 HIS -15 HB1 HIS -15 -0.067 12.411 22.827 13 HD1 HIS -15 HD1 HIS -15 -0.095 13.443 25.246 14 HD2 HIS -15 HD2 HIS -15 -3.737 13.612 23.250 15 HE1 HIS -15 HE1 HIS -15 -1.807 14.055 26.966 16 H LYS -14 HN LYS -14 1.781 12.907 21.829 17 HA LYS -14 HA LYS -14 2.150 13.099 18.942 18 HB2 LYS -14 HB2 LYS -14 4.253 12.557 21.048 19 HB3 LYS -14 HB1 LYS -14 4.526 12.823 19.336 20 HG2 LYS -14 HG2 LYS -14 3.605 15.108 19.584 21 HG3 LYS -14 HG1 LYS -14 3.501 14.830 21.318 22 HD2 LYS -14 HD2 LYS -14 5.927 14.448 21.383 23 HD3 LYS -14 HD1 LYS -14 6.003 14.778 19.649 24 HE2 LYS -14 HE2 LYS -14 5.123 16.686 21.807 25 HE3 LYS -14 HE1 LYS -14 6.622 16.766 20.882 26 HZ1 LYS -14 HZ1 LYS -14 5.248 17.104 18.859 27 HZ2 LYS -14 HZ2 LYS -14 5.054 18.302 19.997 28 HZ3 LYS -14 HZ3 LYS -14 3.867 17.126 19.830 29 H VAL -13 HN VAL -13 3.277 11.207 18.031 30 HA VAL -13 HA VAL -13 1.881 8.844 18.916 31 HB VAL -13 HB VAL -13 3.797 9.175 16.580 32 HG11 VAL -13 HG11 VAL -13 2.826 7.075 15.751 33 HG12 VAL -13 HG12 VAL -13 1.864 6.945 17.223 34 HG13 VAL -13 HG13 VAL -13 3.622 6.850 17.310 35 HG21 VAL -13 HG21 VAL -13 1.787 9.233 15.178 36 HG22 VAL -13 HG22 VAL -13 1.807 10.571 16.327 37 HG23 VAL -13 HG23 VAL -13 0.779 9.170 16.623 38 H HIS -12 HN HIS -12 2.692 7.963 20.642 39 HA HIS -12 HA HIS -12 5.460 7.883 21.294 40 HB2 HIS -12 HB2 HIS -12 3.165 6.196 22.347 41 HB3 HIS -12 HB1 HIS -12 4.768 6.295 23.060 42 HD1 HIS -12 HD1 HIS -12 1.481 8.009 22.996 43 HD2 HIS -12 HD2 HIS -12 5.341 8.797 24.318 44 HE1 HIS -12 HE1 HIS -12 1.300 9.974 24.548 45 H HIS -11 HN HIS -11 6.939 6.528 20.585 46 HA HIS -11 HA HIS -11 8.002 4.847 19.566 47 HB2 HIS -11 HB2 HIS -11 5.352 3.377 19.597 48 HB3 HIS -11 HB1 HIS -11 6.871 2.677 19.063 49 HD1 HIS -11 HD1 HIS -11 4.744 2.622 21.863 50 HD2 HIS -11 HD2 HIS -11 8.833 2.978 21.346 51 HE1 HIS -11 HE1 HIS -11 5.786 1.931 24.063 52 H HIS -10 HN HIS -10 8.674 5.273 17.614 53 HA HIS -10 HA HIS -10 6.969 6.408 15.669 54 HB2 HIS -10 HB2 HIS -10 9.836 5.480 15.477 55 HB3 HIS -10 HB1 HIS -10 8.982 6.244 14.138 56 HD1 HIS -10 HD1 HIS -10 11.071 7.063 17.027 57 HD2 HIS -10 HD2 HIS -10 8.033 8.930 14.877 58 HE1 HIS -10 HE1 HIS -10 11.226 9.500 17.579 59 H HIS -9 HN HIS -9 8.870 3.388 15.302 60 HA HIS -9 HA HIS -9 6.556 2.457 13.758 61 HB2 HIS -9 HB2 HIS -9 9.458 1.766 13.247 62 HB3 HIS -9 HB1 HIS -9 8.106 0.950 12.480 63 HD1 HIS -9 HD1 HIS -9 10.404 2.871 11.100 64 HD2 HIS -9 HD2 HIS -9 6.392 3.721 11.786 65 HE1 HIS -9 HE1 HIS -9 9.757 4.621 9.418 66 H HIS -8 HN HIS -8 7.972 2.044 16.609 67 HA HIS -8 HA HIS -8 7.625 -0.812 16.721 68 HB2 HIS -8 HB2 HIS -8 9.415 0.178 18.096 69 HB3 HIS -8 HB1 HIS -8 8.248 1.172 18.948 70 HD1 HIS -8 HD1 HIS -8 7.777 0.242 21.240 71 HD2 HIS -8 HD2 HIS -8 8.623 -2.738 18.469 72 HE1 HIS -8 HE1 HIS -8 7.699 -1.925 22.500 73 H HIS -7 HN HIS -7 5.502 -0.731 15.968 74 HA HIS -7 HA HIS -7 3.640 -0.174 18.104 75 HB2 HIS -7 HB2 HIS -7 1.856 0.067 16.217 76 HB3 HIS -7 HB1 HIS -7 2.927 1.409 16.563 77 HD1 HIS -7 HD1 HIS -7 4.035 2.407 14.575 78 HD2 HIS -7 HD2 HIS -7 2.733 -1.459 13.824 79 HE1 HIS -7 HE1 HIS -7 4.458 1.993 12.125 80 H MET -6 HN MET -6 2.928 -1.787 19.006 81 HA MET -6 HA MET -6 3.260 -4.408 18.007 82 HB2 MET -6 HB2 MET -6 1.660 -3.451 20.392 83 HB3 MET -6 HB1 MET -6 2.059 -5.129 20.047 84 HG2 MET -6 HG2 MET -6 4.438 -4.611 20.267 85 HG3 MET -6 HG1 MET -6 4.047 -2.928 20.603 86 HE1 MET -6 HE1 MET -6 3.121 -6.494 23.396 87 HE2 MET -6 HE2 MET -6 3.967 -6.613 21.851 88 HE3 MET -6 HE3 MET -6 2.244 -6.230 21.893 89 H SER -5 HN SER -5 2.229 -5.024 16.430 90 HA SER -5 HA SER -5 -0.427 -5.654 16.148 91 HB2 SER -5 HB2 SER -5 -0.804 -3.134 16.140 92 HB3 SER -5 HB1 SER -5 0.177 -3.008 14.697 93 HG SER -5 HG SER -5 -1.332 -4.090 13.557 94 H ASP -4 HN ASP -4 2.450 -4.390 14.642 95 HA ASP -4 HA ASP -4 2.202 -5.648 12.083 96 HB2 ASP -4 HB2 ASP -4 3.493 -3.635 12.297 97 HB3 ASP -4 HB1 ASP -4 4.492 -4.334 13.553 98 H ASP -3 HN ASP -3 3.114 -6.709 15.099 99 HA ASP -3 HA ASP -3 5.238 -8.456 14.817 100 HB2 ASP -3 HB2 ASP -3 2.862 -8.912 16.610 101 HB3 ASP -3 HB1 ASP -3 4.508 -9.473 16.849 102 H ASP -2 HN ASP -2 1.830 -9.480 15.016 103 HA ASP -2 HA ASP -2 2.606 -11.721 13.295 104 HB2 ASP -2 HB2 ASP -2 2.100 -12.574 15.514 105 HB3 ASP -2 HB1 ASP -2 0.521 -11.796 15.477 106 H ASP -1 HN ASP -1 0.215 -9.276 13.867 107 HA ASP -1 HA ASP -1 -1.435 -10.198 11.680 108 HB2 ASP -1 HB2 ASP -1 -2.367 -8.959 13.650 109 HB3 ASP -1 HB1 ASP -1 -1.452 -7.547 13.160 110 H LYS 0 HN LYS 0 -0.120 -10.311 10.023 111 HA LYS 0 HA LYS 0 1.331 -7.897 9.125 112 HB2 LYS 0 HB2 LYS 0 3.324 -9.300 8.782 113 HB3 LYS 0 HB1 LYS 0 2.835 -9.266 10.474 114 HG2 LYS 0 HG2 LYS 0 1.616 -11.451 10.023 115 HG3 LYS 0 HG1 LYS 0 2.467 -11.491 8.482 116 HD2 LYS 0 HD2 LYS 0 4.589 -11.510 9.671 117 HD3 LYS 0 HD1 LYS 0 3.735 -11.409 11.215 118 HE2 LYS 0 HE2 LYS 0 3.530 -13.667 9.206 119 HE3 LYS 0 HE1 LYS 0 4.393 -13.726 10.739 120 HZ1 LYS 0 HZ1 LYS 0 2.196 -14.796 10.779 121 HZ2 LYS 0 HZ2 LYS 0 1.439 -13.338 10.484 122 HZ3 LYS 0 HZ3 LYS 0 2.265 -13.583 11.927 123 H GLY 1 HN GLY 1 -0.955 -9.938 8.292 124 HA2 GLY 1 HA2 GLY 1 -0.573 -9.650 5.504 125 HA3 GLY 1 HA1 GLY 1 -0.215 -11.302 6.005 126 H ILE 2 HN ILE 2 -2.598 -8.822 5.950 127 HA ILE 2 HA ILE 2 -4.659 -10.657 6.851 128 HB ILE 2 HB ILE 2 -4.889 -7.762 5.990 129 HG12 ILE 2 HG12 ILE 2 -4.673 -8.874 8.795 130 HG13 ILE 2 HG11 ILE 2 -3.338 -8.136 7.918 131 HG21 ILE 2 HG21 ILE 2 -7.023 -8.845 5.907 132 HG22 ILE 2 HG22 ILE 2 -6.989 -7.871 7.386 133 HG23 ILE 2 HG23 ILE 2 -6.753 -9.610 7.464 134 HD11 ILE 2 HD11 ILE 2 -4.409 -6.617 9.524 135 HD12 ILE 2 HD12 ILE 2 -5.913 -6.765 8.608 136 HD13 ILE 2 HD13 ILE 2 -4.495 -6.030 7.865 137 H HIS 3 HN HIS 3 -5.786 -11.832 5.439 138 HA HIS 3 HA HIS 3 -5.639 -11.106 2.638 139 HB2 HIS 3 HB2 HIS 3 -6.267 -13.708 3.996 140 HB3 HIS 3 HB1 HIS 3 -6.759 -13.425 2.331 141 HD1 HIS 3 HD1 HIS 3 -5.088 -14.403 0.719 142 HD2 HIS 3 HD2 HIS 3 -3.314 -12.999 4.222 143 HE1 HIS 3 HE1 HIS 3 -2.639 -14.834 0.485 144 H SER 4 HN SER 4 -6.987 -9.629 2.361 145 HA SER 4 HA SER 4 -9.823 -10.184 2.838 146 HB2 SER 4 HB2 SER 4 -8.234 -7.673 2.590 147 HB3 SER 4 HB1 SER 4 -9.975 -7.610 2.400 148 HG SER 4 HG SER 4 -9.166 -8.987 4.631 149 H SER 5 HN SER 5 -10.748 -8.340 0.863 150 HA SER 5 HA SER 5 -9.470 -9.037 -1.581 151 HB2 SER 5 HB2 SER 5 -11.606 -10.043 -2.522 152 HB3 SER 5 HB1 SER 5 -10.748 -11.055 -1.361 153 HG SER 5 HG SER 5 -12.197 -10.462 0.195 154 H VAL 6 HN VAL 6 -10.361 -7.910 -3.348 155 HA VAL 6 HA VAL 6 -11.372 -5.298 -2.587 156 HB VAL 6 HB VAL 6 -10.851 -6.377 -5.363 157 HG11 VAL 6 HG11 VAL 6 -11.024 -3.550 -4.334 158 HG12 VAL 6 HG12 VAL 6 -12.220 -4.377 -5.335 159 HG13 VAL 6 HG13 VAL 6 -10.622 -4.024 -5.986 160 HG21 VAL 6 HG21 VAL 6 -8.845 -6.612 -4.200 161 HG22 VAL 6 HG22 VAL 6 -9.079 -5.069 -3.391 162 HG23 VAL 6 HG23 VAL 6 -8.678 -5.095 -5.119 163 H LYS 7 HN LYS 7 -13.489 -4.963 -2.436 164 HA LYS 7 HA LYS 7 -15.183 -6.758 -4.003 165 HB2 LYS 7 HB2 LYS 7 -15.727 -5.323 -1.413 166 HB3 LYS 7 HB1 LYS 7 -16.916 -6.287 -2.342 167 HG2 LYS 7 HG2 LYS 7 -14.387 -7.340 -1.112 168 HG3 LYS 7 HG1 LYS 7 -15.978 -7.397 -0.351 169 HD2 LYS 7 HD2 LYS 7 -16.778 -8.651 -2.370 170 HD3 LYS 7 HD1 LYS 7 -15.096 -8.758 -2.889 171 HE2 LYS 7 HE2 LYS 7 -14.498 -9.928 -0.852 172 HE3 LYS 7 HE1 LYS 7 -16.139 -9.753 -0.242 173 HZ1 LYS 7 HZ1 LYS 7 -15.300 -11.415 -2.584 174 HZ2 LYS 7 HZ2 LYS 7 -16.879 -11.099 -2.146 175 HZ3 LYS 7 HZ3 LYS 7 -15.884 -11.931 -1.089 176 H ARG 8 HN ARG 8 -17.417 -5.560 -4.340 177 HA ARG 8 HA ARG 8 -16.667 -3.014 -5.561 178 HB2 ARG 8 HB2 ARG 8 -17.378 -4.745 -7.136 179 HB3 ARG 8 HB1 ARG 8 -18.923 -4.832 -6.286 180 HG2 ARG 8 HG2 ARG 8 -19.462 -2.577 -6.921 181 HG3 ARG 8 HG1 ARG 8 -17.847 -2.398 -7.629 182 HD2 ARG 8 HD2 ARG 8 -19.525 -4.599 -8.445 183 HD3 ARG 8 HD1 ARG 8 -19.926 -3.012 -9.145 184 HE ARG 8 HE ARG 8 -17.370 -3.133 -9.728 185 HH11 ARG 8 HH11 ARG 8 -19.575 -5.925 -9.859 186 HH12 ARG 8 HH12 ARG 8 -18.806 -6.617 -11.201 187 HH21 ARG 8 HH21 ARG 8 -16.340 -4.126 -11.562 188 HH22 ARG 8 HH22 ARG 8 -16.935 -5.614 -12.166 189 H TRP 9 HN TRP 9 -17.354 -1.317 -4.521 190 HA TRP 9 HA TRP 9 -19.794 -1.402 -2.894 191 HB2 TRP 9 HB2 TRP 9 -17.616 -0.705 -1.825 192 HB3 TRP 9 HB1 TRP 9 -17.499 0.562 -2.998 193 HD1 TRP 9 HD1 TRP 9 -20.995 0.386 -1.683 194 HE1 TRP 9 HE1 TRP 9 -21.357 2.163 0.050 195 HE3 TRP 9 HE3 TRP 9 -16.094 1.975 -0.887 196 HZ2 TRP 9 HZ2 TRP 9 -19.953 4.031 1.471 197 HZ3 TRP 9 HZ3 TRP 9 -15.779 3.762 0.638 198 HH2 TRP 9 HH2 TRP 9 -17.723 4.780 1.848 199 H GLY 10 HN GLY 10 -21.341 -1.082 -4.442 200 HA2 GLY 10 HA2 GLY 10 -22.672 0.238 -5.791 201 HA3 GLY 10 HA1 GLY 10 -21.473 1.527 -5.642 202 H ASN 11 HN ASN 11 -20.573 2.013 -7.474 203 HA ASN 11 HA ASN 11 -19.896 -0.199 -9.278 204 HB2 ASN 11 HB2 ASN 11 -20.518 2.694 -9.852 205 HB3 ASN 11 HB1 ASN 11 -19.721 1.658 -11.025 206 HD21 ASN 11 HD21 ASN 11 -20.881 0.033 -12.016 207 HD22 ASN 11 HD22 ASN 11 -22.601 -0.065 -11.941 208 H SER 12 HN SER 12 -18.195 0.633 -6.885 209 HA SER 12 HA SER 12 -15.873 1.301 -8.398 210 HB2 SER 12 HB2 SER 12 -16.785 2.610 -5.838 211 HB3 SER 12 HB1 SER 12 -15.178 2.809 -6.565 212 HG SER 12 HG SER 12 -17.684 3.508 -7.676 213 HA PRO 13 HA PRO 13 -14.456 -2.136 -5.948 214 HB2 PRO 13 HB2 PRO 13 -11.759 -1.642 -6.424 215 HB3 PRO 13 HB1 PRO 13 -12.805 -2.642 -7.427 216 HG2 PRO 13 HG2 PRO 13 -11.798 0.081 -7.893 217 HG3 PRO 13 HG1 PRO 13 -12.372 -1.128 -9.048 218 HD2 PRO 13 HD2 PRO 13 -13.794 1.137 -8.225 219 HD3 PRO 13 HD1 PRO 13 -14.476 -0.289 -9.024 220 H ALA 14 HN ALA 14 -14.100 -2.221 -3.838 221 HA ALA 14 HA ALA 14 -12.528 -0.136 -2.565 222 HB1 ALA 14 HB1 ALA 14 -14.881 0.534 -2.393 223 HB2 ALA 14 HB2 ALA 14 -14.189 0.148 -0.821 224 HB3 ALA 14 HB3 ALA 14 -15.258 -1.007 -1.620 225 H VAL 15 HN VAL 15 -11.374 -0.840 -0.893 226 HA VAL 15 HA VAL 15 -11.546 -3.701 -0.235 227 HB VAL 15 HB VAL 15 -9.194 -1.792 0.129 228 HG11 VAL 15 HG11 VAL 15 -7.894 -3.783 0.754 229 HG12 VAL 15 HG12 VAL 15 -9.352 -4.769 0.654 230 HG13 VAL 15 HG13 VAL 15 -9.223 -3.510 1.880 231 HG21 VAL 15 HG21 VAL 15 -9.573 -4.100 -1.748 232 HG22 VAL 15 HG22 VAL 15 -8.100 -3.136 -1.599 233 HG23 VAL 15 HG23 VAL 15 -9.588 -2.399 -2.205 234 H ARG 16 HN ARG 16 -11.947 -4.303 1.810 235 HA ARG 16 HA ARG 16 -12.846 -2.347 3.690 236 HB2 ARG 16 HB2 ARG 16 -12.554 -5.327 3.785 237 HB3 ARG 16 HB1 ARG 16 -13.218 -4.384 5.125 238 HG2 ARG 16 HG2 ARG 16 -14.966 -3.634 3.587 239 HG3 ARG 16 HG1 ARG 16 -14.331 -4.728 2.346 240 HD2 ARG 16 HD2 ARG 16 -14.647 -6.580 3.891 241 HD3 ARG 16 HD1 ARG 16 -15.314 -5.483 5.086 242 HE ARG 16 HE ARG 16 -16.532 -6.193 2.512 243 HH11 ARG 16 HH11 ARG 16 -16.938 -4.923 5.844 244 HH12 ARG 16 HH12 ARG 16 -18.624 -4.869 5.753 245 HH21 ARG 16 HH21 ARG 16 -18.887 -6.141 2.454 246 HH22 ARG 16 HH22 ARG 16 -19.760 -5.561 3.805 247 H ILE 17 HN ILE 17 -11.527 -1.364 5.104 248 HA ILE 17 HA ILE 17 -8.998 -2.656 5.755 249 HB ILE 17 HB ILE 17 -9.893 0.243 5.986 250 HG12 ILE 17 HG12 ILE 17 -7.663 0.645 4.813 251 HG13 ILE 17 HG11 ILE 17 -7.621 -1.090 4.538 252 HG21 ILE 17 HG21 ILE 17 -8.775 -0.224 8.065 253 HG22 ILE 17 HG22 ILE 17 -7.828 0.837 6.999 254 HG23 ILE 17 HG23 ILE 17 -7.382 -0.868 7.163 255 HD11 ILE 17 HD11 ILE 17 -9.638 -0.954 3.271 256 HD12 ILE 17 HD12 ILE 17 -8.428 0.191 2.643 257 HD13 ILE 17 HD13 ILE 17 -9.758 0.760 3.677 258 HA PRO 18 HA PRO 18 -10.832 -3.798 9.636 259 HB2 PRO 18 HB2 PRO 18 -8.479 -4.413 10.939 260 HB3 PRO 18 HB1 PRO 18 -9.338 -5.520 9.864 261 HG2 PRO 18 HG2 PRO 18 -6.930 -3.852 9.327 262 HG3 PRO 18 HG1 PRO 18 -7.366 -5.457 8.716 263 HD2 PRO 18 HD2 PRO 18 -7.579 -3.171 7.262 264 HD3 PRO 18 HD1 PRO 18 -8.592 -4.602 6.987 265 H ALA 19 HN ALA 19 -11.369 -2.687 11.409 266 HA ALA 19 HA ALA 19 -10.643 -0.026 11.808 267 HB1 ALA 19 HB1 ALA 19 -11.918 -0.156 13.885 268 HB2 ALA 19 HB2 ALA 19 -11.879 -1.917 13.814 269 HB3 ALA 19 HB3 ALA 19 -12.757 -1.005 12.586 270 H THR 20 HN THR 20 -9.320 -2.947 13.135 271 HA THR 20 HA THR 20 -7.839 -2.102 15.271 272 HB THR 20 HB THR 20 -6.878 -4.095 13.246 273 HG1 THR 20 HG1 THR 20 -8.448 -5.513 14.189 274 HG21 THR 20 HG21 THR 20 -7.068 -4.111 16.270 275 HG22 THR 20 HG22 THR 20 -5.632 -3.700 15.341 276 HG23 THR 20 HG23 THR 20 -6.286 -5.340 15.264 277 H LEU 21 HN LEU 21 -7.159 -1.894 11.800 278 HA LEU 21 HA LEU 21 -4.448 -0.958 12.169 279 HB2 LEU 21 HB2 LEU 21 -6.151 -1.686 9.848 280 HB3 LEU 21 HB1 LEU 21 -4.766 -0.651 9.586 281 HG LEU 21 HG LEU 21 -4.486 -3.043 9.163 282 HD11 LEU 21 HD11 LEU 21 -2.708 -1.766 11.278 283 HD12 LEU 21 HD12 LEU 21 -2.567 -1.527 9.537 284 HD13 LEU 21 HD13 LEU 21 -2.203 -3.104 10.245 285 HD21 LEU 21 HD21 LEU 21 -5.655 -4.035 11.020 286 HD22 LEU 21 HD22 LEU 21 -4.621 -3.176 12.146 287 HD23 LEU 21 HD23 LEU 21 -3.944 -4.495 11.172 288 H MET 22 HN MET 22 -7.506 0.156 11.309 289 HA MET 22 HA MET 22 -7.026 2.806 10.589 290 HB2 MET 22 HB2 MET 22 -9.238 1.721 12.321 291 HB3 MET 22 HB1 MET 22 -9.247 3.341 11.662 292 HG2 MET 22 HG2 MET 22 -9.169 0.842 9.991 293 HG3 MET 22 HG1 MET 22 -10.653 1.647 10.486 294 HE1 MET 22 HE1 MET 22 -11.393 3.997 9.742 295 HE2 MET 22 HE2 MET 22 -10.423 5.080 8.738 296 HE3 MET 22 HE3 MET 22 -9.887 4.664 10.367 297 H GLN 23 HN GLN 23 -7.618 1.556 13.758 298 HA GLN 23 HA GLN 23 -6.906 3.870 15.208 299 HB2 GLN 23 HB2 GLN 23 -6.680 1.015 16.105 300 HB3 GLN 23 HB1 GLN 23 -6.745 2.440 17.129 301 HG2 GLN 23 HG2 GLN 23 -8.982 2.900 16.279 302 HG3 GLN 23 HG1 GLN 23 -8.925 1.396 15.365 303 HE21 GLN 23 HE21 GLN 23 -10.723 2.095 17.484 304 HE22 GLN 23 HE22 GLN 23 -10.498 0.924 18.742 305 H ALA 24 HN ALA 24 -5.035 1.208 13.913 306 HA ALA 24 HA ALA 24 -2.736 1.527 15.576 307 HB1 ALA 24 HB1 ALA 24 -1.563 0.081 14.032 308 HB2 ALA 24 HB2 ALA 24 -2.791 0.359 12.802 309 HB3 ALA 24 HB3 ALA 24 -3.206 -0.530 14.266 310 H LEU 25 HN LEU 25 -3.670 2.942 12.577 311 HA LEU 25 HA LEU 25 -1.152 4.439 12.458 312 HB2 LEU 25 HB2 LEU 25 -3.216 3.767 10.417 313 HB3 LEU 25 HB1 LEU 25 -1.844 4.819 10.096 314 HG LEU 25 HG LEU 25 -1.320 2.092 11.231 315 HD11 LEU 25 HD11 LEU 25 -1.234 1.129 9.095 316 HD12 LEU 25 HD12 LEU 25 -1.441 2.694 8.346 317 HD13 LEU 25 HD13 LEU 25 -2.817 1.941 9.198 318 HD21 LEU 25 HD21 LEU 25 0.471 3.746 11.111 319 HD22 LEU 25 HD22 LEU 25 0.168 3.929 9.383 320 HD23 LEU 25 HD23 LEU 25 0.763 2.395 10.011 321 H ASN 26 HN ASN 26 -4.015 4.717 13.677 322 HA ASN 26 HA ASN 26 -5.523 6.197 14.260 323 HB2 ASN 26 HB2 ASN 26 -3.568 7.043 15.548 324 HB3 ASN 26 HB1 ASN 26 -3.247 8.192 14.251 325 HD21 ASN 26 HD21 ASN 26 -3.579 10.000 15.602 326 HD22 ASN 26 HD22 ASN 26 -5.162 10.419 16.152 327 H LEU 27 HN LEU 27 -6.273 5.816 11.947 328 HA LEU 27 HA LEU 27 -6.747 8.470 10.922 329 HB2 LEU 27 HB2 LEU 27 -7.274 7.457 8.835 330 HB3 LEU 27 HB1 LEU 27 -5.583 7.215 9.245 331 HG LEU 27 HG LEU 27 -7.488 5.021 9.875 332 HD11 LEU 27 HD11 LEU 27 -8.183 5.887 7.728 333 HD12 LEU 27 HD12 LEU 27 -7.490 4.264 7.589 334 HD13 LEU 27 HD13 LEU 27 -6.558 5.683 7.081 335 HD21 LEU 27 HD21 LEU 27 -4.749 5.159 8.642 336 HD22 LEU 27 HD22 LEU 27 -5.591 3.682 9.119 337 HD23 LEU 27 HD23 LEU 27 -5.093 4.857 10.345 338 H ASN 28 HN ASN 28 -8.886 8.745 10.093 339 HA ASN 28 HA ASN 28 -10.859 7.008 11.382 340 HB2 ASN 28 HB2 ASN 28 -10.873 10.042 11.326 341 HB3 ASN 28 HB1 ASN 28 -12.232 9.054 11.834 342 HD21 ASN 28 HD21 ASN 28 -9.127 10.302 12.688 343 HD22 ASN 28 HD22 ASN 28 -9.151 9.766 14.330 344 H ILE 29 HN ILE 29 -13.106 7.860 10.464 345 HA ILE 29 HA ILE 29 -12.980 7.344 7.660 346 HB ILE 29 HB ILE 29 -15.322 8.158 9.421 347 HG12 ILE 29 HG12 ILE 29 -14.460 5.942 9.955 348 HG13 ILE 29 HG11 ILE 29 -16.032 5.811 9.188 349 HG21 ILE 29 HG21 ILE 29 -15.447 7.204 6.561 350 HG22 ILE 29 HG22 ILE 29 -15.747 8.845 7.114 351 HG23 ILE 29 HG23 ILE 29 -16.829 7.545 7.610 352 HD11 ILE 29 HD11 ILE 29 -14.914 5.226 7.078 353 HD12 ILE 29 HD12 ILE 29 -14.560 4.104 8.386 354 HD13 ILE 29 HD13 ILE 29 -13.354 5.297 7.905 355 H ASP 30 HN ASP 30 -13.292 8.671 5.992 356 HA ASP 30 HA ASP 30 -13.522 10.451 4.703 357 HB2 ASP 30 HB2 ASP 30 -15.317 11.256 6.265 358 HB3 ASP 30 HB1 ASP 30 -14.087 12.112 7.182 359 H ASP 31 HN ASP 31 -11.100 9.636 6.419 360 HA ASP 31 HA ASP 31 -9.635 12.118 6.354 361 HB2 ASP 31 HB2 ASP 31 -9.500 10.194 8.182 362 HB3 ASP 31 HB1 ASP 31 -8.333 9.515 7.054 363 H GLU 32 HN GLU 32 -8.306 12.591 4.855 364 HA GLU 32 HA GLU 32 -8.421 11.181 2.395 365 HB2 GLU 32 HB2 GLU 32 -7.151 12.922 1.406 366 HB3 GLU 32 HB1 GLU 32 -8.303 13.667 2.510 367 HG2 GLU 32 HG2 GLU 32 -6.372 13.906 4.151 368 HG3 GLU 32 HG1 GLU 32 -5.367 13.263 2.878 369 H VAL 33 HN VAL 33 -6.830 10.236 1.213 370 HA VAL 33 HA VAL 33 -4.386 9.631 2.614 371 HB VAL 33 HB VAL 33 -4.428 7.249 2.382 372 HG11 VAL 33 HG11 VAL 33 -6.297 6.520 3.667 373 HG12 VAL 33 HG12 VAL 33 -7.182 7.952 3.149 374 HG13 VAL 33 HG13 VAL 33 -5.778 8.137 4.238 375 HG21 VAL 33 HG21 VAL 33 -6.183 5.984 1.308 376 HG22 VAL 33 HG22 VAL 33 -5.440 7.118 0.173 377 HG23 VAL 33 HG23 VAL 33 -7.019 7.484 0.915 378 H LYS 34 HN LYS 34 -2.732 8.924 1.487 379 HA LYS 34 HA LYS 34 -2.713 9.761 -1.299 380 HB2 LYS 34 HB2 LYS 34 -0.608 9.238 0.775 381 HB3 LYS 34 HB1 LYS 34 -0.197 9.326 -0.929 382 HG2 LYS 34 HG2 LYS 34 -0.864 11.586 -1.063 383 HG3 LYS 34 HG1 LYS 34 -1.646 11.521 0.512 384 HD2 LYS 34 HD2 LYS 34 0.564 12.711 0.486 385 HD3 LYS 34 HD1 LYS 34 0.456 11.391 1.637 386 HE2 LYS 34 HE2 LYS 34 2.631 11.496 0.420 387 HE3 LYS 34 HE1 LYS 34 1.790 9.968 0.231 388 HZ1 LYS 34 HZ1 LYS 34 1.505 12.080 -1.829 389 HZ2 LYS 34 HZ2 LYS 34 1.433 10.348 -1.983 390 HZ3 LYS 34 HZ3 LYS 34 2.871 11.117 -1.751 391 H ILE 35 HN ILE 35 -3.259 8.163 -2.651 392 HA ILE 35 HA ILE 35 -2.184 5.512 -2.142 393 HB ILE 35 HB ILE 35 -3.915 6.412 -4.497 394 HG12 ILE 35 HG12 ILE 35 -5.594 4.753 -3.460 395 HG13 ILE 35 HG11 ILE 35 -4.605 4.838 -2.015 396 HG21 ILE 35 HG21 ILE 35 -3.076 3.607 -3.791 397 HG22 ILE 35 HG22 ILE 35 -2.359 4.585 -5.056 398 HG23 ILE 35 HG23 ILE 35 -4.050 4.101 -5.179 399 HD11 ILE 35 HD11 ILE 35 -5.042 7.255 -1.900 400 HD12 ILE 35 HD12 ILE 35 -6.499 6.264 -1.808 401 HD13 ILE 35 HD13 ILE 35 -6.092 7.098 -3.314 402 H ASP 36 HN ASP 36 -0.152 5.534 -2.456 403 HA ASP 36 HA ASP 36 0.984 6.776 -4.858 404 HB2 ASP 36 HB2 ASP 36 2.027 6.159 -2.127 405 HB3 ASP 36 HB1 ASP 36 3.171 6.077 -3.475 406 H LEU 37 HN LEU 37 1.886 5.364 -6.440 407 HA LEU 37 HA LEU 37 1.764 2.610 -5.807 408 HB2 LEU 37 HB2 LEU 37 0.876 3.813 -7.869 409 HB3 LEU 37 HB1 LEU 37 2.561 4.015 -8.302 410 HG LEU 37 HG LEU 37 2.652 1.443 -7.946 411 HD11 LEU 37 HD11 LEU 37 -0.231 1.881 -8.484 412 HD12 LEU 37 HD12 LEU 37 0.496 1.261 -7.008 413 HD13 LEU 37 HD13 LEU 37 0.615 0.321 -8.511 414 HD21 LEU 37 HD21 LEU 37 1.422 2.833 -10.250 415 HD22 LEU 37 HD22 LEU 37 2.165 1.185 -10.247 416 HD23 LEU 37 HD23 LEU 37 3.120 2.628 -9.789 417 H VAL 38 HN VAL 38 3.576 1.539 -5.774 418 HA VAL 38 HA VAL 38 6.215 2.695 -6.335 419 HB VAL 38 HB VAL 38 5.597 1.542 -3.571 420 HG11 VAL 38 HG11 VAL 38 7.812 0.906 -4.319 421 HG12 VAL 38 HG12 VAL 38 7.904 2.059 -2.991 422 HG13 VAL 38 HG13 VAL 38 8.206 2.594 -4.644 423 HG21 VAL 38 HG21 VAL 38 6.200 3.745 -2.660 424 HG22 VAL 38 HG22 VAL 38 4.807 3.860 -3.734 425 HG23 VAL 38 HG23 VAL 38 6.400 4.367 -4.297 426 H ASP 39 HN ASP 39 7.098 1.197 -7.588 427 HA ASP 39 HA ASP 39 7.737 -0.784 -8.522 428 HB2 ASP 39 HB2 ASP 39 7.835 -1.546 -5.599 429 HB3 ASP 39 HB1 ASP 39 8.402 -2.608 -6.878 430 H GLY 40 HN GLY 40 5.037 -0.412 -8.592 431 HA2 GLY 40 HA2 GLY 40 3.174 -1.595 -9.296 432 HA3 GLY 40 HA1 GLY 40 4.161 -3.046 -9.196 433 H LYS 41 HN LYS 41 3.701 -0.977 -6.415 434 HA LYS 41 HA LYS 41 1.849 -2.956 -5.295 435 HB2 LYS 41 HB2 LYS 41 4.406 -2.320 -4.434 436 HB3 LYS 41 HB1 LYS 41 3.372 -1.310 -3.453 437 HG2 LYS 41 HG2 LYS 41 3.648 -3.251 -2.202 438 HG3 LYS 41 HG1 LYS 41 2.035 -3.366 -2.919 439 HD2 LYS 41 HD2 LYS 41 3.100 -5.517 -3.140 440 HD3 LYS 41 HD1 LYS 41 3.037 -4.771 -4.739 441 HE2 LYS 41 HE2 LYS 41 5.369 -4.104 -4.545 442 HE3 LYS 41 HE1 LYS 41 5.427 -4.724 -2.895 443 HZ1 LYS 41 HZ1 LYS 41 6.417 -6.274 -4.358 444 HZ2 LYS 41 HZ2 LYS 41 5.094 -6.249 -5.398 445 HZ3 LYS 41 HZ3 LYS 41 4.932 -6.947 -3.869 446 H LEU 42 HN LEU 42 0.170 -2.049 -3.997 447 HA LEU 42 HA LEU 42 -0.265 0.780 -4.455 448 HB2 LEU 42 HB2 LEU 42 -2.080 -1.397 -3.418 449 HB3 LEU 42 HB1 LEU 42 -2.542 0.291 -3.473 450 HG LEU 42 HG LEU 42 -1.625 -1.077 -5.920 451 HD11 LEU 42 HD11 LEU 42 -3.986 -1.757 -6.387 452 HD12 LEU 42 HD12 LEU 42 -4.495 -1.032 -4.873 453 HD13 LEU 42 HD13 LEU 42 -3.479 -2.473 -4.854 454 HD21 LEU 42 HD21 LEU 42 -3.511 1.224 -5.377 455 HD22 LEU 42 HD22 LEU 42 -3.331 0.482 -6.947 456 HD23 LEU 42 HD23 LEU 42 -1.966 1.303 -6.240 457 H ILE 43 HN ILE 43 0.618 1.937 -3.180 458 HA ILE 43 HA ILE 43 1.019 1.118 -0.400 459 HB ILE 43 HB ILE 43 2.178 3.450 -1.860 460 HG12 ILE 43 HG12 ILE 43 2.764 1.374 -2.944 461 HG13 ILE 43 HG11 ILE 43 4.191 2.186 -2.270 462 HG21 ILE 43 HG21 ILE 43 3.895 3.419 -0.080 463 HG22 ILE 43 HG22 ILE 43 3.045 2.083 0.689 464 HG23 ILE 43 HG23 ILE 43 2.272 3.665 0.568 465 HD11 ILE 43 HD11 ILE 43 2.756 -0.232 -1.177 466 HD12 ILE 43 HD12 ILE 43 4.132 0.581 -0.421 467 HD13 ILE 43 HD13 ILE 43 4.333 -0.215 -1.976 468 H ILE 44 HN ILE 44 -0.591 1.701 0.684 469 HA ILE 44 HA ILE 44 -1.906 4.261 0.198 470 HB ILE 44 HB ILE 44 -2.889 1.808 1.691 471 HG12 ILE 44 HG12 ILE 44 -4.912 2.102 0.225 472 HG13 ILE 44 HG11 ILE 44 -4.101 3.442 -0.556 473 HG21 ILE 44 HG21 ILE 44 -3.428 3.641 3.154 474 HG22 ILE 44 HG22 ILE 44 -4.904 3.052 2.390 475 HG23 ILE 44 HG23 ILE 44 -4.152 4.544 1.822 476 HD11 ILE 44 HD11 ILE 44 -3.999 1.453 -1.916 477 HD12 ILE 44 HD12 ILE 44 -3.236 0.556 -0.607 478 HD13 ILE 44 HD13 ILE 44 -2.384 1.895 -1.374 479 H GLU 45 HN GLU 45 -1.067 5.846 1.185 480 HA GLU 45 HA GLU 45 -0.192 5.464 3.944 481 HB2 GLU 45 HB2 GLU 45 1.676 6.008 2.479 482 HB3 GLU 45 HB1 GLU 45 0.811 7.394 1.842 483 HG2 GLU 45 HG2 GLU 45 0.923 8.495 4.003 484 HG3 GLU 45 HG1 GLU 45 1.740 7.095 4.691 485 HA PRO 46 HA PRO 46 -3.701 8.144 4.673 486 HB2 PRO 46 HB2 PRO 46 -3.114 8.367 7.384 487 HB3 PRO 46 HB1 PRO 46 -4.149 7.148 6.639 488 HG2 PRO 46 HG2 PRO 46 -1.385 7.061 7.474 489 HG3 PRO 46 HG1 PRO 46 -2.691 5.830 7.501 490 HD2 PRO 46 HD2 PRO 46 -0.641 5.877 5.623 491 HD3 PRO 46 HD1 PRO 46 -2.277 5.231 5.220 492 H VAL 47 HN VAL 47 -3.825 10.230 5.090 493 HA VAL 47 HA VAL 47 -1.248 11.622 5.063 494 HB VAL 47 HB VAL 47 -3.911 12.992 4.689 495 HG11 VAL 47 HG11 VAL 47 -1.131 13.701 3.937 496 HG12 VAL 47 HG12 VAL 47 -1.979 14.298 5.381 497 HG13 VAL 47 HG13 VAL 47 -2.550 14.748 3.741 498 HG21 VAL 47 HG21 VAL 47 -3.780 11.480 2.910 499 HG22 VAL 47 HG22 VAL 47 -2.048 11.811 2.681 500 HG23 VAL 47 HG23 VAL 47 -3.238 13.034 2.244 501 H ARG 48 HN ARG 48 -0.490 12.042 6.854 502 HA ARG 48 HA ARG 48 -1.848 11.644 9.192 503 HB2 ARG 48 HB2 ARG 48 0.128 12.415 10.375 504 HB3 ARG 48 HB1 ARG 48 0.541 11.337 9.051 505 HG2 ARG 48 HG2 ARG 48 1.233 13.240 7.696 506 HG3 ARG 48 HG1 ARG 48 0.740 14.342 8.980 507 HD2 ARG 48 HD2 ARG 48 3.124 14.032 9.086 508 HD3 ARG 48 HD1 ARG 48 2.351 13.272 10.478 509 HE ARG 48 HE ARG 48 2.796 11.504 8.269 510 HH11 ARG 48 HH11 ARG 48 4.204 12.845 11.279 511 HH12 ARG 48 HH12 ARG 48 5.337 11.590 11.456 512 HH21 ARG 48 HH21 ARG 48 4.402 9.770 8.549 513 HH22 ARG 48 HH22 ARG 48 5.452 9.793 9.871 514 H LYS 49 HN LYS 49 -2.828 12.826 10.650 515 HA LYS 49 HA LYS 49 -3.066 15.685 10.172 516 HB2 LYS 49 HB2 LYS 49 -4.696 13.793 11.911 517 HB3 LYS 49 HB1 LYS 49 -5.013 15.499 11.660 518 HG2 LYS 49 HG2 LYS 49 -5.147 13.429 9.461 519 HG3 LYS 49 HG1 LYS 49 -6.537 13.929 10.419 520 HD2 LYS 49 HD2 LYS 49 -6.220 16.252 9.611 521 HD3 LYS 49 HD1 LYS 49 -4.882 15.715 8.597 522 HE2 LYS 49 HE2 LYS 49 -7.697 14.714 8.383 523 HE3 LYS 49 HE1 LYS 49 -6.982 15.972 7.384 524 HZ1 LYS 49 HZ1 LYS 49 -6.219 13.091 7.478 525 HZ2 LYS 49 HZ2 LYS 49 -5.296 14.271 6.695 526 HZ3 LYS 49 HZ3 LYS 49 -6.883 13.972 6.210 527 H GLU 50 HN GLU 50 -1.360 16.464 11.021 528 HA GLU 50 HA GLU 50 -0.619 15.703 13.744 529 HB2 GLU 50 HB2 GLU 50 0.763 14.543 12.036 530 HB3 GLU 50 HB1 GLU 50 1.217 16.103 11.380 531 HG2 GLU 50 HG2 GLU 50 2.215 16.624 13.621 532 HG3 GLU 50 HG1 GLU 50 1.937 14.935 14.047 533 H1 ASN -16 HT1 ASN -16 -3.112 -18.134 -21.874 534 H2 ASN -16 HT2 ASN -16 -3.711 -18.952 -20.529 535 H3 ASN -16 HT3 ASN -16 -2.052 -18.939 -20.860 536 HA ASN -16 HA ASN -16 -3.636 -16.534 -20.231 537 HB2 ASN -16 HB2 ASN -16 -3.321 -18.069 -18.262 538 HB3 ASN -16 HB1 ASN -16 -1.584 -17.981 -18.524 539 HD21 ASN -16 HD21 ASN -16 -1.174 -17.056 -16.521 540 HD22 ASN -16 HD22 ASN -16 -1.621 -15.440 -16.140 541 H HIS -15 HN HIS -15 -2.389 -14.630 -20.288 542 HA HIS -15 HA HIS -15 0.107 -14.920 -21.799 543 HB2 HIS -15 HB2 HIS -15 -1.652 -12.489 -21.361 544 HB3 HIS -15 HB1 HIS -15 -0.091 -12.426 -22.165 545 HD1 HIS -15 HD1 HIS -15 0.011 -13.409 -24.619 546 HD2 HIS -15 HD2 HIS -15 -3.740 -13.518 -22.841 547 HE1 HIS -15 HE1 HIS -15 -1.615 -13.861 -26.459 548 H LYS -14 HN LYS -14 1.722 -13.050 -21.243 549 HA LYS -14 HA LYS -14 2.118 -13.196 -18.341 550 HB2 LYS -14 HB2 LYS -14 4.193 -12.653 -20.476 551 HB3 LYS -14 HB1 LYS -14 4.488 -12.918 -18.764 552 HG2 LYS -14 HG2 LYS -14 3.580 -15.218 -19.031 553 HG3 LYS -14 HG1 LYS -14 3.497 -14.930 -20.767 554 HD2 LYS -14 HD2 LYS -14 5.939 -14.443 -20.731 555 HD3 LYS -14 HD1 LYS -14 5.957 -14.912 -19.030 556 HE2 LYS -14 HE2 LYS -14 5.218 -16.638 -21.380 557 HE3 LYS -14 HE1 LYS -14 6.671 -16.773 -20.401 558 HZ1 LYS -14 HZ1 LYS -14 5.229 -17.366 -18.492 559 HZ2 LYS -14 HZ2 LYS -14 5.097 -18.434 -19.766 560 HZ3 LYS -14 HZ3 LYS -14 3.880 -17.318 -19.508 561 H VAL -13 HN VAL -13 3.275 -11.271 -17.442 562 HA VAL -13 HA VAL -13 1.944 -8.908 -18.404 563 HB VAL -13 HB VAL -13 3.792 -9.255 -16.018 564 HG11 VAL -13 HG11 VAL -13 2.872 -7.108 -15.265 565 HG12 VAL -13 HG12 VAL -13 1.953 -6.975 -16.764 566 HG13 VAL -13 HG13 VAL -13 3.715 -6.945 -16.805 567 HG21 VAL -13 HG21 VAL -13 1.743 -9.214 -14.667 568 HG22 VAL -13 HG22 VAL -13 1.749 -10.579 -15.785 569 HG23 VAL -13 HG23 VAL -13 0.775 -9.155 -16.139 570 H HIS -12 HN HIS -12 2.820 -7.887 -19.978 571 HA HIS -12 HA HIS -12 5.618 -8.015 -20.565 572 HB2 HIS -12 HB2 HIS -12 3.393 -6.374 -21.810 573 HB3 HIS -12 HB1 HIS -12 5.028 -6.504 -22.448 574 HD1 HIS -12 HD1 HIS -12 1.747 -8.228 -22.456 575 HD2 HIS -12 HD2 HIS -12 5.680 -9.082 -23.463 576 HE1 HIS -12 HE1 HIS -12 1.662 -10.309 -23.854 577 H HIS -11 HN HIS -11 7.098 -6.692 -19.867 578 HA HIS -11 HA HIS -11 8.200 -5.000 -18.905 579 HB2 HIS -11 HB2 HIS -11 5.618 -3.447 -19.040 580 HB3 HIS -11 HB1 HIS -11 7.158 -2.770 -18.548 581 HD1 HIS -11 HD1 HIS -11 4.997 -2.993 -21.363 582 HD2 HIS -11 HD2 HIS -11 9.109 -3.037 -20.817 583 HE1 HIS -11 HE1 HIS -11 6.008 -2.327 -23.578 584 H HIS -10 HN HIS -10 8.739 -5.664 -16.985 585 HA HIS -10 HA HIS -10 7.024 -6.574 -14.996 586 HB2 HIS -10 HB2 HIS -10 9.859 -5.560 -14.718 587 HB3 HIS -10 HB1 HIS -10 8.982 -6.364 -13.424 588 HD1 HIS -10 HD1 HIS -10 11.289 -7.108 -16.150 589 HD2 HIS -10 HD2 HIS -10 8.156 -9.083 -14.240 590 HE1 HIS -10 HE1 HIS -10 11.572 -9.519 -16.675 591 H HIS -9 HN HIS -9 8.941 -3.582 -14.591 592 HA HIS -9 HA HIS -9 6.635 -2.573 -13.091 593 HB2 HIS -9 HB2 HIS -9 9.552 -1.953 -12.661 594 HB3 HIS -9 HB1 HIS -9 8.240 -1.057 -11.904 595 HD1 HIS -9 HD1 HIS -9 10.458 -2.866 -10.473 596 HD2 HIS -9 HD2 HIS -9 6.490 -3.834 -11.146 597 HE1 HIS -9 HE1 HIS -9 9.871 -4.579 -8.746 598 H HIS -8 HN HIS -8 8.119 -2.237 -15.929 599 HA HIS -8 HA HIS -8 7.807 0.621 -16.087 600 HB2 HIS -8 HB2 HIS -8 9.638 -0.345 -17.403 601 HB3 HIS -8 HB1 HIS -8 8.532 -1.386 -18.273 602 HD1 HIS -8 HD1 HIS -8 8.214 -0.510 -20.621 603 HD2 HIS -8 HD2 HIS -8 8.711 2.556 -17.860 604 HE1 HIS -8 HE1 HIS -8 8.020 1.623 -21.912 605 H HIS -7 HN HIS -7 5.679 0.438 -15.326 606 HA HIS -7 HA HIS -7 3.813 -0.030 -17.495 607 HB2 HIS -7 HB2 HIS -7 2.045 -0.228 -15.589 608 HB3 HIS -7 HB1 HIS -7 3.091 -1.597 -15.914 609 HD1 HIS -7 HD1 HIS -7 4.277 -2.556 -13.888 610 HD2 HIS -7 HD2 HIS -7 2.879 1.308 -13.222 611 HE1 HIS -7 HE1 HIS -7 4.679 -2.074 -11.454 612 H MET -6 HN MET -6 3.138 1.631 -18.405 613 HA MET -6 HA MET -6 3.621 4.188 -17.317 614 HB2 MET -6 HB2 MET -6 2.138 3.380 -19.822 615 HB3 MET -6 HB1 MET -6 2.511 5.037 -19.369 616 HG2 MET -6 HG2 MET -6 4.888 4.563 -19.460 617 HG3 MET -6 HG1 MET -6 4.555 2.880 -19.855 618 HE1 MET -6 HE1 MET -6 3.601 6.427 -22.653 619 HE2 MET -6 HE2 MET -6 4.338 6.608 -21.060 620 HE3 MET -6 HE3 MET -6 2.657 6.090 -21.205 621 H SER -5 HN SER -5 2.598 4.777 -15.744 622 HA SER -5 HA SER -5 -0.043 5.593 -15.602 623 HB2 SER -5 HB2 SER -5 -0.517 3.095 -15.543 624 HB3 SER -5 HB1 SER -5 0.406 2.968 -14.060 625 HG SER -5 HG SER -5 -1.155 4.601 -13.222 626 H ASP -4 HN ASP -4 2.734 4.236 -14.043 627 HA ASP -4 HA ASP -4 2.555 5.464 -11.491 628 HB2 ASP -4 HB2 ASP -4 3.670 3.388 -11.773 629 HB3 ASP -4 HB1 ASP -4 4.644 4.020 -13.084 630 H ASP -3 HN ASP -3 3.438 6.584 -14.485 631 HA ASP -3 HA ASP -3 5.722 8.146 -14.139 632 HB2 ASP -3 HB2 ASP -3 3.426 8.713 -16.002 633 HB3 ASP -3 HB1 ASP -3 5.089 9.249 -16.188 634 H ASP -2 HN ASP -2 2.397 9.365 -14.421 635 HA ASP -2 HA ASP -2 3.205 11.566 -12.662 636 HB2 ASP -2 HB2 ASP -2 2.818 12.396 -14.924 637 HB3 ASP -2 HB1 ASP -2 1.208 11.686 -14.925 638 H ASP -1 HN ASP -1 0.778 9.166 -13.314 639 HA ASP -1 HA ASP -1 -0.903 10.183 -11.204 640 HB2 ASP -1 HB2 ASP -1 -1.829 8.995 -13.247 641 HB3 ASP -1 HB1 ASP -1 -1.069 7.521 -12.668 642 H LYS 0 HN LYS 0 0.167 10.140 -9.409 643 HA LYS 0 HA LYS 0 1.598 7.705 -8.524 644 HB2 LYS 0 HB2 LYS 0 3.586 9.069 -8.072 645 HB3 LYS 0 HB1 LYS 0 3.166 9.059 -9.783 646 HG2 LYS 0 HG2 LYS 0 1.930 11.260 -9.313 647 HG3 LYS 0 HG1 LYS 0 2.809 11.287 -7.788 648 HD2 LYS 0 HD2 LYS 0 4.915 11.246 -9.017 649 HD3 LYS 0 HD1 LYS 0 4.031 11.198 -10.543 650 HE2 LYS 0 HE2 LYS 0 3.946 13.425 -8.497 651 HE3 LYS 0 HE1 LYS 0 4.778 13.467 -10.045 652 HZ1 LYS 0 HZ1 LYS 0 2.640 14.621 -10.081 653 HZ2 LYS 0 HZ2 LYS 0 1.811 13.224 -9.722 654 HZ3 LYS 0 HZ3 LYS 0 2.607 13.371 -11.183 655 H GLY 1 HN GLY 1 -0.546 10.128 -7.729 656 HA2 GLY 1 HA2 GLY 1 -0.240 9.697 -4.915 657 HA3 GLY 1 HA1 GLY 1 0.164 11.333 -5.432 658 H ILE 2 HN ILE 2 -2.299 8.911 -5.460 659 HA ILE 2 HA ILE 2 -4.312 10.788 -6.359 660 HB ILE 2 HB ILE 2 -4.688 7.938 -5.406 661 HG12 ILE 2 HG12 ILE 2 -4.204 8.919 -8.231 662 HG13 ILE 2 HG11 ILE 2 -3.012 8.084 -7.250 663 HG21 ILE 2 HG21 ILE 2 -6.744 8.003 -6.667 664 HG22 ILE 2 HG22 ILE 2 -6.362 9.600 -7.283 665 HG23 ILE 2 HG23 ILE 2 -6.722 9.389 -5.571 666 HD11 ILE 2 HD11 ILE 2 -5.586 7.007 -8.341 667 HD12 ILE 2 HD12 ILE 2 -4.605 6.148 -7.167 668 HD13 ILE 2 HD13 ILE 2 -3.948 6.508 -8.765 669 H HIS 3 HN HIS 3 -5.384 12.019 -4.943 670 HA HIS 3 HA HIS 3 -5.302 11.273 -2.140 671 HB2 HIS 3 HB2 HIS 3 -5.845 13.901 -3.482 672 HB3 HIS 3 HB1 HIS 3 -6.370 13.623 -1.827 673 HD1 HIS 3 HD1 HIS 3 -4.695 14.488 -0.151 674 HD2 HIS 3 HD2 HIS 3 -2.897 13.193 -3.688 675 HE1 HIS 3 HE1 HIS 3 -2.228 14.847 0.137 676 H SER 4 HN SER 4 -6.693 9.849 -1.828 677 HA SER 4 HA SER 4 -9.517 10.424 -2.392 678 HB2 SER 4 HB2 SER 4 -8.015 7.879 -1.958 679 HB3 SER 4 HB1 SER 4 -9.760 7.902 -1.993 680 HG SER 4 HG SER 4 -8.898 9.220 -4.119 681 H SER 5 HN SER 5 -10.500 8.569 -0.433 682 HA SER 5 HA SER 5 -9.296 9.279 2.037 683 HB2 SER 5 HB2 SER 5 -11.512 10.274 2.855 684 HB3 SER 5 HB1 SER 5 -10.530 11.294 1.804 685 HG SER 5 HG SER 5 -11.871 10.889 0.134 686 H VAL 6 HN VAL 6 -10.209 8.127 3.762 687 HA VAL 6 HA VAL 6 -11.268 5.535 3.011 688 HB VAL 6 HB VAL 6 -10.738 6.699 5.757 689 HG11 VAL 6 HG11 VAL 6 -11.063 3.838 4.852 690 HG12 VAL 6 HG12 VAL 6 -12.221 4.773 5.803 691 HG13 VAL 6 HG13 VAL 6 -10.649 4.363 6.484 692 HG21 VAL 6 HG21 VAL 6 -8.619 5.574 5.672 693 HG22 VAL 6 HG22 VAL 6 -8.794 6.695 4.305 694 HG23 VAL 6 HG23 VAL 6 -9.024 4.955 4.066 695 H LYS 7 HN LYS 7 -13.419 5.201 2.870 696 HA LYS 7 HA LYS 7 -15.088 7.079 4.363 697 HB2 LYS 7 HB2 LYS 7 -15.597 5.645 1.782 698 HB3 LYS 7 HB1 LYS 7 -16.771 6.665 2.659 699 HG2 LYS 7 HG2 LYS 7 -14.151 7.611 1.547 700 HG3 LYS 7 HG1 LYS 7 -15.691 7.688 0.693 701 HD2 LYS 7 HD2 LYS 7 -16.583 9.015 2.612 702 HD3 LYS 7 HD1 LYS 7 -14.940 9.085 3.252 703 HE2 LYS 7 HE2 LYS 7 -14.142 10.173 1.239 704 HE3 LYS 7 HE1 LYS 7 -15.730 10.016 0.501 705 HZ1 LYS 7 HZ1 LYS 7 -15.145 11.712 2.901 706 HZ2 LYS 7 HZ2 LYS 7 -16.614 11.552 2.110 707 HZ3 LYS 7 HZ3 LYS 7 -15.317 12.225 1.317 708 H ARG 8 HN ARG 8 -17.322 6.009 4.757 709 HA ARG 8 HA ARG 8 -16.703 3.403 5.916 710 HB2 ARG 8 HB2 ARG 8 -17.329 5.064 7.543 711 HB3 ARG 8 HB1 ARG 8 -18.820 5.404 6.675 712 HG2 ARG 8 HG2 ARG 8 -19.689 3.237 7.229 713 HG3 ARG 8 HG1 ARG 8 -18.131 2.764 7.912 714 HD2 ARG 8 HD2 ARG 8 -19.700 5.089 8.939 715 HD3 ARG 8 HD1 ARG 8 -19.932 3.449 9.559 716 HE ARG 8 HE ARG 8 -17.338 3.673 9.861 717 HH11 ARG 8 HH11 ARG 8 -19.751 6.145 10.619 718 HH12 ARG 8 HH12 ARG 8 -18.875 6.790 11.922 719 HH21 ARG 8 HH21 ARG 8 -16.175 4.517 11.672 720 HH22 ARG 8 HH22 ARG 8 -16.798 5.847 12.552 721 H TRP 9 HN TRP 9 -17.418 1.704 4.922 722 HA TRP 9 HA TRP 9 -19.849 1.781 3.270 723 HB2 TRP 9 HB2 TRP 9 -17.664 1.106 2.192 724 HB3 TRP 9 HB1 TRP 9 -17.537 -0.174 3.349 725 HD1 TRP 9 HD1 TRP 9 -21.036 0.034 1.999 726 HE1 TRP 9 HE1 TRP 9 -21.391 -1.768 0.258 727 HE3 TRP 9 HE3 TRP 9 -16.139 -1.628 1.245 728 HZ2 TRP 9 HZ2 TRP 9 -20.016 -3.636 -1.126 729 HZ3 TRP 9 HZ3 TRP 9 -15.846 -3.427 -0.273 730 HH2 TRP 9 HH2 TRP 9 -17.805 -4.415 -1.489 731 H GLY 10 HN GLY 10 -21.442 1.377 4.806 732 HA2 GLY 10 HA2 GLY 10 -22.713 0.073 6.177 733 HA3 GLY 10 HA1 GLY 10 -21.514 -1.220 6.006 734 H ASN 11 HN ASN 11 -20.702 -1.692 7.912 735 HA ASN 11 HA ASN 11 -19.877 0.591 9.574 736 HB2 ASN 11 HB2 ASN 11 -20.540 -2.237 10.374 737 HB3 ASN 11 HB1 ASN 11 -19.626 -1.169 11.430 738 HD21 ASN 11 HD21 ASN 11 -20.636 0.661 12.265 739 HD22 ASN 11 HD22 ASN 11 -22.348 0.792 12.355 740 H SER 12 HN SER 12 -18.289 -0.325 7.230 741 HA SER 12 HA SER 12 -15.943 -1.053 8.705 742 HB2 SER 12 HB2 SER 12 -16.880 -2.164 6.074 743 HB3 SER 12 HB1 SER 12 -15.308 -2.485 6.850 744 HG SER 12 HG SER 12 -16.506 -3.353 8.603 745 HA PRO 13 HA PRO 13 -14.482 2.466 6.338 746 HB2 PRO 13 HB2 PRO 13 -11.804 1.927 6.850 747 HB3 PRO 13 HB1 PRO 13 -12.845 2.923 7.862 748 HG2 PRO 13 HG2 PRO 13 -11.912 0.158 8.262 749 HG3 PRO 13 HG1 PRO 13 -12.415 1.362 9.452 750 HD2 PRO 13 HD2 PRO 13 -13.926 -0.816 8.643 751 HD3 PRO 13 HD1 PRO 13 -14.581 0.635 9.411 752 H ALA 14 HN ALA 14 -14.123 2.527 4.228 753 HA ALA 14 HA ALA 14 -12.559 0.416 2.981 754 HB1 ALA 14 HB1 ALA 14 -14.930 -0.202 2.780 755 HB2 ALA 14 HB2 ALA 14 -14.196 0.153 1.220 756 HB3 ALA 14 HB3 ALA 14 -15.253 1.342 1.985 757 H VAL 15 HN VAL 15 -11.374 1.090 1.318 758 HA VAL 15 HA VAL 15 -11.457 3.955 0.661 759 HB VAL 15 HB VAL 15 -9.157 1.973 0.345 760 HG11 VAL 15 HG11 VAL 15 -7.782 3.914 -0.279 761 HG12 VAL 15 HG12 VAL 15 -9.208 4.948 -0.214 762 HG13 VAL 15 HG13 VAL 15 -9.104 3.668 -1.421 763 HG21 VAL 15 HG21 VAL 15 -9.483 4.313 2.202 764 HG22 VAL 15 HG22 VAL 15 -8.045 3.295 2.077 765 HG23 VAL 15 HG23 VAL 15 -9.566 2.615 2.668 766 H ARG 16 HN ARG 16 -11.810 4.556 -1.402 767 HA ARG 16 HA ARG 16 -12.702 2.600 -3.295 768 HB2 ARG 16 HB2 ARG 16 -12.403 5.579 -3.384 769 HB3 ARG 16 HB1 ARG 16 -13.038 4.634 -4.739 770 HG2 ARG 16 HG2 ARG 16 -14.825 3.891 -3.276 771 HG3 ARG 16 HG1 ARG 16 -14.204 4.934 -1.978 772 HD2 ARG 16 HD2 ARG 16 -14.463 6.839 -3.489 773 HD3 ARG 16 HD1 ARG 16 -15.134 5.768 -4.710 774 HE ARG 16 HE ARG 16 -16.382 6.324 -2.098 775 HH11 ARG 16 HH11 ARG 16 -16.731 5.576 -5.588 776 HH12 ARG 16 HH12 ARG 16 -18.410 5.744 -5.558 777 HH21 ARG 16 HH21 ARG 16 -18.707 6.499 -2.127 778 HH22 ARG 16 HH22 ARG 16 -19.552 6.272 -3.598 779 H ILE 17 HN ILE 17 -11.390 1.609 -4.681 780 HA ILE 17 HA ILE 17 -8.809 2.821 -5.278 781 HB ILE 17 HB ILE 17 -9.786 -0.049 -5.527 782 HG12 ILE 17 HG12 ILE 17 -7.597 -0.516 -4.308 783 HG13 ILE 17 HG11 ILE 17 -7.509 1.216 -4.035 784 HG21 ILE 17 HG21 ILE 17 -8.615 0.382 -7.582 785 HG22 ILE 17 HG22 ILE 17 -7.725 -0.709 -6.497 786 HG23 ILE 17 HG23 ILE 17 -7.218 0.978 -6.653 787 HD11 ILE 17 HD11 ILE 17 -9.548 1.146 -2.802 788 HD12 ILE 17 HD12 ILE 17 -8.395 -0.048 -2.159 789 HD13 ILE 17 HD13 ILE 17 -9.724 -0.561 -3.219 790 HA PRO 18 HA PRO 18 -10.544 4.052 -9.156 791 HB2 PRO 18 HB2 PRO 18 -8.153 4.558 -10.445 792 HB3 PRO 18 HB1 PRO 18 -8.975 5.697 -9.377 793 HG2 PRO 18 HG2 PRO 18 -6.639 3.938 -8.823 794 HG3 PRO 18 HG1 PRO 18 -7.016 5.549 -8.202 795 HD2 PRO 18 HD2 PRO 18 -7.333 3.251 -6.782 796 HD3 PRO 18 HD1 PRO 18 -8.273 4.724 -6.495 797 H ALA 19 HN ALA 19 -11.088 3.002 -10.956 798 HA ALA 19 HA ALA 19 -10.483 0.288 -11.332 799 HB1 ALA 19 HB1 ALA 19 -11.764 0.458 -13.401 800 HB2 ALA 19 HB2 ALA 19 -11.690 2.217 -13.318 801 HB3 ALA 19 HB3 ALA 19 -12.579 1.312 -12.091 802 H THR 20 HN THR 20 -9.096 3.175 -12.663 803 HA THR 20 HA THR 20 -7.639 2.273 -14.794 804 HB THR 20 HB THR 20 -6.647 4.267 -12.787 805 HG1 THR 20 HG1 THR 20 -8.229 5.680 -13.522 806 HG21 THR 20 HG21 THR 20 -6.806 4.251 -15.806 807 HG22 THR 20 HG22 THR 20 -5.388 3.809 -14.860 808 HG23 THR 20 HG23 THR 20 -6.003 5.466 -14.802 809 H LEU 21 HN LEU 21 -6.996 2.035 -11.315 810 HA LEU 21 HA LEU 21 -4.297 1.052 -11.692 811 HB2 LEU 21 HB2 LEU 21 -5.976 1.811 -9.366 812 HB3 LEU 21 HB1 LEU 21 -4.611 0.742 -9.115 813 HG LEU 21 HG LEU 21 -4.277 3.122 -8.678 814 HD11 LEU 21 HD11 LEU 21 -2.536 1.800 -10.799 815 HD12 LEU 21 HD12 LEU 21 -2.384 1.584 -9.055 816 HD13 LEU 21 HD13 LEU 21 -1.995 3.143 -9.788 817 HD21 LEU 21 HD21 LEU 21 -5.423 4.152 -10.531 818 HD22 LEU 21 HD22 LEU 21 -4.390 3.298 -11.663 819 HD23 LEU 21 HD23 LEU 21 -3.707 4.587 -10.655 820 H MET 22 HN MET 22 -7.380 0.002 -10.832 821 HA MET 22 HA MET 22 -6.971 -2.675 -10.149 822 HB2 MET 22 HB2 MET 22 -9.158 -1.529 -11.887 823 HB3 MET 22 HB1 MET 22 -9.199 -3.142 -11.217 824 HG2 MET 22 HG2 MET 22 -9.073 -0.634 -9.564 825 HG3 MET 22 HG1 MET 22 -10.571 -1.432 -10.034 826 HE1 MET 22 HE1 MET 22 -11.285 -3.799 -9.256 827 HE2 MET 22 HE2 MET 22 -10.291 -4.869 -8.260 828 HE3 MET 22 HE3 MET 22 -9.780 -4.451 -9.899 829 H GLN 23 HN GLN 23 -7.505 -1.342 -13.296 830 HA GLN 23 HA GLN 23 -6.859 -3.651 -14.780 831 HB2 GLN 23 HB2 GLN 23 -6.599 -0.783 -15.640 832 HB3 GLN 23 HB1 GLN 23 -6.676 -2.193 -16.687 833 HG2 GLN 23 HG2 GLN 23 -8.912 -2.660 -15.790 834 HG3 GLN 23 HG1 GLN 23 -8.843 -1.158 -14.886 835 HE21 GLN 23 HE21 GLN 23 -10.718 -1.875 -16.914 836 HE22 GLN 23 HE22 GLN 23 -10.590 -0.710 -18.186 837 H ALA 24 HN ALA 24 -4.915 -1.097 -13.417 838 HA ALA 24 HA ALA 24 -2.624 -1.434 -15.083 839 HB1 ALA 24 HB1 ALA 24 -1.427 -0.051 -13.521 840 HB2 ALA 24 HB2 ALA 24 -2.634 -0.359 -12.277 841 HB3 ALA 24 HB3 ALA 24 -3.068 0.586 -13.697 842 H LEU 25 HN LEU 25 -3.620 -2.895 -12.134 843 HA LEU 25 HA LEU 25 -1.122 -4.421 -12.005 844 HB2 LEU 25 HB2 LEU 25 -3.150 -3.688 -9.942 845 HB3 LEU 25 HB1 LEU 25 -1.839 -4.818 -9.635 846 HG LEU 25 HG LEU 25 -1.169 -2.109 -10.731 847 HD11 LEU 25 HD11 LEU 25 -1.051 -1.193 -8.557 848 HD12 LEU 25 HD12 LEU 25 -1.422 -2.755 -7.857 849 HD13 LEU 25 HD13 LEU 25 -2.689 -1.869 -8.742 850 HD21 LEU 25 HD21 LEU 25 0.525 -3.864 -10.579 851 HD22 LEU 25 HD22 LEU 25 0.184 -4.018 -8.855 852 HD23 LEU 25 HD23 LEU 25 0.869 -2.521 -9.482 853 H ASN 26 HN ASN 26 -3.984 -4.678 -13.244 854 HA ASN 26 HA ASN 26 -5.513 -6.161 -13.790 855 HB2 ASN 26 HB2 ASN 26 -3.618 -6.993 -15.117 856 HB3 ASN 26 HB1 ASN 26 -3.174 -8.079 -13.807 857 HD21 ASN 26 HD21 ASN 26 -3.395 -9.861 -15.169 858 HD22 ASN 26 HD22 ASN 26 -4.928 -10.483 -15.642 859 H LEU 27 HN LEU 27 -6.184 -5.731 -11.465 860 HA LEU 27 HA LEU 27 -6.738 -8.344 -10.384 861 HB2 LEU 27 HB2 LEU 27 -7.208 -7.284 -8.321 862 HB3 LEU 27 HB1 LEU 27 -5.523 -7.052 -8.749 863 HG LEU 27 HG LEU 27 -7.420 -4.863 -9.412 864 HD11 LEU 27 HD11 LEU 27 -8.121 -5.687 -7.245 865 HD12 LEU 27 HD12 LEU 27 -7.433 -4.061 -7.145 866 HD13 LEU 27 HD13 LEU 27 -6.498 -5.461 -6.599 867 HD21 LEU 27 HD21 LEU 27 -4.680 -4.991 -8.178 868 HD22 LEU 27 HD22 LEU 27 -5.522 -3.519 -8.671 869 HD23 LEU 27 HD23 LEU 27 -5.030 -4.711 -9.885 870 H ASN 28 HN ASN 28 -8.887 -8.530 -9.623 871 HA ASN 28 HA ASN 28 -10.759 -6.685 -10.923 872 HB2 ASN 28 HB2 ASN 28 -10.953 -9.714 -10.951 873 HB3 ASN 28 HB1 ASN 28 -12.174 -8.625 -11.582 874 HD21 ASN 28 HD21 ASN 28 -9.135 -10.150 -12.148 875 HD22 ASN 28 HD22 ASN 28 -8.952 -9.637 -13.778 876 H ILE 29 HN ILE 29 -13.100 -7.611 -10.101 877 HA ILE 29 HA ILE 29 -13.027 -7.104 -7.289 878 HB ILE 29 HB ILE 29 -15.349 -7.854 -9.103 879 HG12 ILE 29 HG12 ILE 29 -14.456 -5.624 -9.593 880 HG13 ILE 29 HG11 ILE 29 -16.034 -5.495 -8.838 881 HG21 ILE 29 HG21 ILE 29 -15.511 -6.957 -6.226 882 HG22 ILE 29 HG22 ILE 29 -15.865 -8.574 -6.827 883 HG23 ILE 29 HG23 ILE 29 -16.883 -7.219 -7.306 884 HD11 ILE 29 HD11 ILE 29 -14.935 -4.954 -6.710 885 HD12 ILE 29 HD12 ILE 29 -14.552 -3.819 -7.997 886 HD13 ILE 29 HD13 ILE 29 -13.367 -5.036 -7.518 887 H ASP 30 HN ASP 30 -13.299 -8.420 -5.637 888 HA ASP 30 HA ASP 30 -13.456 -10.193 -4.333 889 HB2 ASP 30 HB2 ASP 30 -15.419 -10.925 -5.679 890 HB3 ASP 30 HB1 ASP 30 -14.337 -11.768 -6.768 891 H ASP 31 HN ASP 31 -11.126 -9.438 -6.038 892 HA ASP 31 HA ASP 31 -9.628 -11.925 -6.057 893 HB2 ASP 31 HB2 ASP 31 -9.507 -9.943 -7.747 894 HB3 ASP 31 HB1 ASP 31 -8.455 -9.185 -6.561 895 H GLU 32 HN GLU 32 -8.397 -12.427 -4.441 896 HA GLU 32 HA GLU 32 -8.639 -10.966 -1.993 897 HB2 GLU 32 HB2 GLU 32 -7.473 -12.712 -0.885 898 HB3 GLU 32 HB1 GLU 32 -8.581 -13.470 -2.029 899 HG2 GLU 32 HG2 GLU 32 -6.561 -13.795 -3.543 900 HG3 GLU 32 HG1 GLU 32 -5.616 -13.145 -2.222 901 H VAL 33 HN VAL 33 -7.048 -10.028 -0.758 902 HA VAL 33 HA VAL 33 -4.538 -9.588 -2.109 903 HB VAL 33 HB VAL 33 -4.495 -7.207 -2.030 904 HG11 VAL 33 HG11 VAL 33 -6.384 -6.418 -3.293 905 HG12 VAL 33 HG12 VAL 33 -7.314 -7.796 -2.735 906 HG13 VAL 33 HG13 VAL 33 -5.955 -8.059 -3.850 907 HG21 VAL 33 HG21 VAL 33 -6.134 -5.793 -0.969 908 HG22 VAL 33 HG22 VAL 33 -5.444 -6.926 0.202 909 HG23 VAL 33 HG23 VAL 33 -7.059 -7.216 -0.501 910 H LYS 34 HN LYS 34 -2.829 -8.952 -0.933 911 HA LYS 34 HA LYS 34 -2.930 -9.718 1.849 912 HB2 LYS 34 HB2 LYS 34 -0.783 -9.222 -0.181 913 HB3 LYS 34 HB1 LYS 34 -0.411 -9.342 1.530 914 HG2 LYS 34 HG2 LYS 34 -1.106 -11.584 1.623 915 HG3 LYS 34 HG1 LYS 34 -1.883 -11.486 0.045 916 HD2 LYS 34 HD2 LYS 34 0.316 -12.706 0.083 917 HD3 LYS 34 HD1 LYS 34 0.199 -11.398 -1.082 918 HE2 LYS 34 HE2 LYS 34 2.387 -11.504 0.110 919 HE3 LYS 34 HE1 LYS 34 1.557 -9.966 0.280 920 HZ1 LYS 34 HZ1 LYS 34 1.380 -12.057 2.400 921 HZ2 LYS 34 HZ2 LYS 34 1.143 -10.345 2.503 922 HZ3 LYS 34 HZ3 LYS 34 2.639 -10.955 2.305 923 H ILE 35 HN ILE 35 -3.466 -8.093 3.169 924 HA ILE 35 HA ILE 35 -2.291 -5.483 2.652 925 HB ILE 35 HB ILE 35 -4.129 -6.300 4.953 926 HG12 ILE 35 HG12 ILE 35 -5.721 -4.592 3.845 927 HG13 ILE 35 HG11 ILE 35 -4.698 -4.746 2.427 928 HG21 ILE 35 HG21 ILE 35 -4.288 -3.848 5.412 929 HG22 ILE 35 HG22 ILE 35 -2.934 -3.621 4.299 930 HG23 ILE 35 HG23 ILE 35 -2.732 -4.587 5.755 931 HD11 ILE 35 HD11 ILE 35 -5.224 -7.136 2.336 932 HD12 ILE 35 HD12 ILE 35 -6.654 -6.117 2.214 933 HD13 ILE 35 HD13 ILE 35 -6.278 -6.935 3.737 934 H ASP 36 HN ASP 36 -0.257 -5.536 3.067 935 HA ASP 36 HA ASP 36 0.701 -6.755 5.557 936 HB2 ASP 36 HB2 ASP 36 2.011 -6.262 2.888 937 HB3 ASP 36 HB1 ASP 36 3.007 -6.388 4.337 938 H LEU 37 HN LEU 37 1.710 -5.371 7.108 939 HA LEU 37 HA LEU 37 1.636 -2.621 6.427 940 HB2 LEU 37 HB2 LEU 37 0.669 -3.778 8.474 941 HB3 LEU 37 HB1 LEU 37 2.335 -3.990 8.968 942 HG LEU 37 HG LEU 37 2.479 -1.433 8.595 943 HD11 LEU 37 HD11 LEU 37 -0.436 -1.826 9.008 944 HD12 LEU 37 HD12 LEU 37 0.356 -1.233 7.553 945 HD13 LEU 37 HD13 LEU 37 0.430 -0.276 9.050 946 HD21 LEU 37 HD21 LEU 37 1.082 -2.745 10.852 947 HD22 LEU 37 HD22 LEU 37 1.931 -1.145 10.858 948 HD23 LEU 37 HD23 LEU 37 2.807 -2.653 10.464 949 H VAL 38 HN VAL 38 3.453 -1.562 6.439 950 HA VAL 38 HA VAL 38 6.064 -2.805 7.024 951 HB VAL 38 HB VAL 38 5.531 -1.613 4.260 952 HG11 VAL 38 HG11 VAL 38 7.770 -1.090 5.056 953 HG12 VAL 38 HG12 VAL 38 7.821 -2.233 3.715 954 HG13 VAL 38 HG13 VAL 38 8.067 -2.803 5.363 955 HG21 VAL 38 HG21 VAL 38 6.047 -3.840 3.361 956 HG22 VAL 38 HG22 VAL 38 4.645 -3.899 4.437 957 HG23 VAL 38 HG23 VAL 38 6.216 -4.457 5.004 958 H ASP 39 HN ASP 39 6.907 -1.376 8.387 959 HA ASP 39 HA ASP 39 7.594 0.529 9.384 960 HB2 ASP 39 HB2 ASP 39 7.890 1.418 6.503 961 HB3 ASP 39 HB1 ASP 39 8.515 2.335 7.866 962 H GLY 40 HN GLY 40 4.948 0.249 9.344 963 HA2 GLY 40 HA2 GLY 40 3.039 1.423 9.907 964 HA3 GLY 40 HA1 GLY 40 4.035 2.868 9.923 965 H LYS 41 HN LYS 41 3.549 0.788 7.101 966 HA LYS 41 HA LYS 41 1.874 2.888 5.908 967 HB2 LYS 41 HB2 LYS 41 4.432 2.192 5.148 968 HB3 LYS 41 HB1 LYS 41 3.437 1.170 4.146 969 HG2 LYS 41 HG2 LYS 41 3.782 3.074 2.859 970 HG3 LYS 41 HG1 LYS 41 2.137 3.205 3.499 971 HD2 LYS 41 HD2 LYS 41 3.185 5.364 3.712 972 HD3 LYS 41 HD1 LYS 41 3.046 4.660 5.325 973 HE2 LYS 41 HE2 LYS 41 5.403 3.964 5.219 974 HE3 LYS 41 HE1 LYS 41 5.521 4.628 3.596 975 HZ1 LYS 41 HZ1 LYS 41 6.437 6.145 5.127 976 HZ2 LYS 41 HZ2 LYS 41 5.088 6.085 6.128 977 HZ3 LYS 41 HZ3 LYS 41 4.960 6.824 4.608 978 H LEU 42 HN LEU 42 0.205 2.041 4.553 979 HA LEU 42 HA LEU 42 -0.360 -0.751 5.018 980 HB2 LEU 42 HB2 LEU 42 -2.005 1.524 3.949 981 HB3 LEU 42 HB1 LEU 42 -2.550 -0.144 3.877 982 HG LEU 42 HG LEU 42 -1.697 1.108 6.409 983 HD11 LEU 42 HD11 LEU 42 -3.521 2.532 5.579 984 HD12 LEU 42 HD12 LEU 42 -4.221 1.476 6.810 985 HD13 LEU 42 HD13 LEU 42 -4.451 1.120 5.100 986 HD21 LEU 42 HD21 LEU 42 -3.492 -1.223 5.764 987 HD22 LEU 42 HD22 LEU 42 -3.215 -0.599 7.384 988 HD23 LEU 42 HD23 LEU 42 -1.874 -1.282 6.468 989 H ILE 43 HN ILE 43 0.577 -1.960 3.757 990 HA ILE 43 HA ILE 43 1.050 -1.189 0.965 991 HB ILE 43 HB ILE 43 2.129 -3.544 2.455 992 HG12 ILE 43 HG12 ILE 43 2.734 -1.480 3.560 993 HG13 ILE 43 HG11 ILE 43 4.158 -2.322 2.917 994 HG21 ILE 43 HG21 ILE 43 3.887 -3.557 0.709 995 HG22 ILE 43 HG22 ILE 43 3.091 -2.191 -0.069 996 HG23 ILE 43 HG23 ILE 43 2.268 -3.749 0.030 997 HD11 ILE 43 HD11 ILE 43 2.794 0.128 1.793 998 HD12 ILE 43 HD12 ILE 43 4.183 -0.700 1.077 999 HD13 ILE 43 HD13 ILE 43 4.344 0.092 2.640 1000 H ILE 44 HN ILE 44 -0.579 -1.715 -0.109 1001 HA ILE 44 HA ILE 44 -1.962 -4.244 0.339 1002 HB ILE 44 HB ILE 44 -2.855 -1.767 -1.183 1003 HG12 ILE 44 HG12 ILE 44 -4.901 -1.982 0.262 1004 HG13 ILE 44 HG11 ILE 44 -4.140 -3.339 1.065 1005 HG21 ILE 44 HG21 ILE 44 -3.436 -3.601 -2.629 1006 HG22 ILE 44 HG22 ILE 44 -4.898 -2.959 -1.881 1007 HG23 ILE 44 HG23 ILE 44 -4.192 -4.466 -1.292 1008 HD11 ILE 44 HD11 ILE 44 -4.006 -1.333 2.403 1009 HD12 ILE 44 HD12 ILE 44 -3.178 -0.483 1.101 1010 HD13 ILE 44 HD13 ILE 44 -2.395 -1.844 1.904 1011 H GLU 45 HN GLU 45 -1.135 -5.847 -0.633 1012 HA GLU 45 HA GLU 45 -0.204 -5.507 -3.385 1013 HB2 GLU 45 HB2 GLU 45 1.628 -6.089 -1.869 1014 HB3 GLU 45 HB1 GLU 45 0.715 -7.444 -1.240 1015 HG2 GLU 45 HG2 GLU 45 0.863 -8.591 -3.370 1016 HG3 GLU 45 HG1 GLU 45 1.692 -7.210 -4.083 1017 HA PRO 46 HA PRO 46 -3.813 -8.058 -4.116 1018 HB2 PRO 46 HB2 PRO 46 -3.212 -8.338 -6.819 1019 HB3 PRO 46 HB1 PRO 46 -4.203 -7.067 -6.094 1020 HG2 PRO 46 HG2 PRO 46 -1.424 -7.090 -6.911 1021 HG3 PRO 46 HG1 PRO 46 -2.681 -5.814 -6.963 1022 HD2 PRO 46 HD2 PRO 46 -0.666 -5.901 -5.064 1023 HD3 PRO 46 HD1 PRO 46 -2.282 -5.205 -4.680 1024 H VAL 47 HN VAL 47 -4.012 -10.182 -4.600 1025 HA VAL 47 HA VAL 47 -1.460 -11.611 -4.554 1026 HB VAL 47 HB VAL 47 -4.164 -12.912 -4.188 1027 HG11 VAL 47 HG11 VAL 47 -1.410 -13.760 -3.480 1028 HG12 VAL 47 HG12 VAL 47 -2.264 -14.289 -4.943 1029 HG13 VAL 47 HG13 VAL 47 -2.862 -14.764 -3.319 1030 HG21 VAL 47 HG21 VAL 47 -3.923 -11.453 -2.365 1031 HG22 VAL 47 HG22 VAL 47 -2.208 -11.863 -2.192 1032 HG23 VAL 47 HG23 VAL 47 -3.431 -13.045 -1.751 1033 H ARG 48 HN ARG 48 -0.687 -12.039 -6.314 1034 HA ARG 48 HA ARG 48 -2.000 -11.612 -8.695 1035 HB2 ARG 48 HB2 ARG 48 -0.002 -12.364 -9.848 1036 HB3 ARG 48 HB1 ARG 48 0.399 -11.302 -8.509 1037 HG2 ARG 48 HG2 ARG 48 1.109 -13.189 -7.172 1038 HG3 ARG 48 HG1 ARG 48 0.564 -14.309 -8.421 1039 HD2 ARG 48 HD2 ARG 48 2.952 -14.060 -8.585 1040 HD3 ARG 48 HD1 ARG 48 2.175 -13.310 -9.976 1041 HE ARG 48 HE ARG 48 2.702 -11.488 -7.833 1042 HH11 ARG 48 HH11 ARG 48 3.999 -12.874 -10.867 1043 HH12 ARG 48 HH12 ARG 48 5.276 -11.758 -10.961 1044 HH21 ARG 48 HH21 ARG 48 4.459 -9.934 -8.050 1045 HH22 ARG 48 HH22 ARG 48 5.509 -10.052 -9.391 1046 H LYS 49 HN LYS 49 -2.995 -12.797 -10.101 1047 HA LYS 49 HA LYS 49 -3.265 -15.652 -9.623 1048 HB2 LYS 49 HB2 LYS 49 -4.758 -13.734 -11.458 1049 HB3 LYS 49 HB1 LYS 49 -5.133 -15.433 -11.260 1050 HG2 LYS 49 HG2 LYS 49 -5.324 -13.422 -9.013 1051 HG3 LYS 49 HG1 LYS 49 -6.674 -13.822 -10.069 1052 HD2 LYS 49 HD2 LYS 49 -6.513 -16.185 -9.313 1053 HD3 LYS 49 HD1 LYS 49 -5.209 -15.739 -8.216 1054 HE2 LYS 49 HE2 LYS 49 -7.941 -14.537 -8.125 1055 HE3 LYS 49 HE1 LYS 49 -7.445 -15.933 -7.171 1056 HZ1 LYS 49 HZ1 LYS 49 -7.275 -14.022 -5.867 1057 HZ2 LYS 49 HZ2 LYS 49 -6.410 -13.129 -6.951 1058 HZ3 LYS 49 HZ3 LYS 49 -5.696 -14.479 -6.169 1059 H GLU 50 HN GLU 50 -1.533 -16.487 -10.339 1060 HA GLU 50 HA GLU 50 -0.703 -16.085 -13.091 1061 HB2 GLU 50 HB2 GLU 50 0.501 -14.417 -11.651 1062 HB3 GLU 50 HB1 GLU 50 1.100 -15.744 -10.680 1063 HG2 GLU 50 HG2 GLU 50 2.299 -16.605 -12.626 1064 HG3 GLU 50 HG1 GLU 50 1.737 -15.224 -13.572 Start of MODEL 15 1 H1 ASN -16 HT1 ASN -16 13.998 -9.167 3.336 2 H2 ASN -16 HT2 ASN -16 15.328 -9.216 2.318 3 H3 ASN -16 HT3 ASN -16 14.929 -7.769 3.088 4 HA ASN -16 HA ASN -16 16.836 -8.843 4.090 5 HB2 ASN -16 HB2 ASN -16 16.073 -8.916 6.428 6 HB3 ASN -16 HB1 ASN -16 15.279 -7.586 5.599 7 HD21 ASN -16 HD21 ASN -16 14.486 -8.997 8.002 8 HD22 ASN -16 HD22 ASN -16 12.917 -9.636 7.696 9 H HIS -15 HN HIS -15 16.995 -10.775 6.016 10 HA HIS -15 HA HIS -15 17.028 -13.053 4.328 11 HB2 HIS -15 HB2 HIS -15 18.854 -12.651 5.938 12 HB3 HIS -15 HB1 HIS -15 17.721 -12.822 7.270 13 HD1 HIS -15 HD1 HIS -15 18.373 -15.003 8.401 14 HD2 HIS -15 HD2 HIS -15 18.385 -15.317 4.258 15 HE1 HIS -15 HE1 HIS -15 18.883 -17.399 7.880 16 H LYS -14 HN LYS -14 15.353 -14.180 3.894 17 HA LYS -14 HA LYS -14 13.412 -14.862 5.944 18 HB2 LYS -14 HB2 LYS -14 13.620 -15.319 2.965 19 HB3 LYS -14 HB1 LYS -14 12.577 -16.353 3.922 20 HG2 LYS -14 HG2 LYS -14 12.329 -13.347 3.823 21 HG3 LYS -14 HG1 LYS -14 11.428 -14.443 2.773 22 HD2 LYS -14 HD2 LYS -14 10.523 -15.552 4.825 23 HD3 LYS -14 HD1 LYS -14 11.308 -14.319 5.793 24 HE2 LYS -14 HE2 LYS -14 9.207 -13.799 3.684 25 HE3 LYS -14 HE1 LYS -14 8.893 -13.906 5.409 26 HZ1 LYS -14 HZ1 LYS -14 10.496 -11.844 3.998 27 HZ2 LYS -14 HZ2 LYS -14 10.452 -12.014 5.680 28 HZ3 LYS -14 HZ3 LYS -14 9.031 -11.646 4.837 29 H VAL -13 HN VAL -13 14.223 -16.269 7.327 30 HA VAL -13 HA VAL -13 16.454 -17.786 6.977 31 HB VAL -13 HB VAL -13 15.699 -19.225 8.886 32 HG11 VAL -13 HG11 VAL -13 15.452 -16.243 9.253 33 HG12 VAL -13 HG12 VAL -13 16.949 -17.174 9.272 34 HG13 VAL -13 HG13 VAL -13 15.746 -17.413 10.538 35 HG21 VAL -13 HG21 VAL -13 13.298 -19.200 8.471 36 HG22 VAL -13 HG22 VAL -13 13.253 -17.459 8.781 37 HG23 VAL -13 HG23 VAL -13 13.690 -18.581 10.076 38 H HIS -12 HN HIS -12 17.045 -19.583 6.205 39 HA HIS -12 HA HIS -12 15.144 -21.263 4.768 40 HB2 HIS -12 HB2 HIS -12 17.233 -22.174 3.675 41 HB3 HIS -12 HB1 HIS -12 16.987 -20.457 3.411 42 HD1 HIS -12 HD1 HIS -12 18.841 -18.842 4.328 43 HD2 HIS -12 HD2 HIS -12 19.416 -22.852 5.300 44 HE1 HIS -12 HE1 HIS -12 21.146 -19.000 5.309 45 H HIS -11 HN HIS -11 15.378 -21.254 7.603 46 HA HIS -11 HA HIS -11 16.420 -23.941 8.191 47 HB2 HIS -11 HB2 HIS -11 15.974 -21.586 10.067 48 HB3 HIS -11 HB1 HIS -11 16.527 -23.177 10.549 49 HD1 HIS -11 HD1 HIS -11 18.997 -23.283 10.886 50 HD2 HIS -11 HD2 HIS -11 17.926 -20.335 8.159 51 HE1 HIS -11 HE1 HIS -11 21.142 -22.110 10.230 52 H HIS -10 HN HIS -10 14.909 -25.361 9.022 53 HA HIS -10 HA HIS -10 12.197 -24.357 9.083 54 HB2 HIS -10 HB2 HIS -10 13.305 -27.160 8.995 55 HB3 HIS -10 HB1 HIS -10 11.603 -26.831 9.313 56 HD1 HIS -10 HD1 HIS -10 13.386 -27.977 6.602 57 HD2 HIS -10 HD2 HIS -10 10.876 -24.706 7.104 58 HE1 HIS -10 HE1 HIS -10 12.543 -27.384 4.310 59 H HIS -9 HN HIS -9 10.833 -24.612 10.770 60 HA HIS -9 HA HIS -9 10.135 -24.513 12.877 61 HB2 HIS -9 HB2 HIS -9 12.636 -26.078 13.587 62 HB3 HIS -9 HB1 HIS -9 11.381 -25.653 14.744 63 HD1 HIS -9 HD1 HIS -9 12.390 -28.381 12.656 64 HD2 HIS -9 HD2 HIS -9 8.745 -26.762 13.806 65 HE1 HIS -9 HE1 HIS -9 10.691 -30.197 12.329 66 H HIS -8 HN HIS -8 13.486 -23.664 12.469 67 HA HIS -8 HA HIS -8 13.301 -21.560 14.430 68 HB2 HIS -8 HB2 HIS -8 15.451 -22.758 14.082 69 HB3 HIS -8 HB1 HIS -8 15.479 -22.226 12.409 70 HD1 HIS -8 HD1 HIS -8 16.412 -21.157 15.858 71 HD2 HIS -8 HD2 HIS -8 16.101 -19.461 12.067 72 HE1 HIS -8 HE1 HIS -8 17.662 -18.997 15.952 73 H HIS -7 HN HIS -7 11.553 -20.431 13.587 74 HA HIS -7 HA HIS -7 12.144 -18.951 11.134 75 HB2 HIS -7 HB2 HIS -7 9.451 -19.819 12.188 76 HB3 HIS -7 HB1 HIS -7 9.643 -18.599 10.938 77 HD1 HIS -7 HD1 HIS -7 9.856 -19.465 8.524 78 HD2 HIS -7 HD2 HIS -7 10.365 -22.418 11.419 79 HE1 HIS -7 HE1 HIS -7 9.980 -21.649 7.294 80 H MET -6 HN MET -6 12.444 -16.931 11.348 81 HA MET -6 HA MET -6 11.002 -15.423 13.382 82 HB2 MET -6 HB2 MET -6 13.059 -14.260 14.103 83 HB3 MET -6 HB1 MET -6 13.157 -15.980 14.447 84 HG2 MET -6 HG2 MET -6 14.574 -16.287 12.470 85 HG3 MET -6 HG1 MET -6 14.471 -14.561 12.131 86 HE1 MET -6 HE1 MET -6 17.095 -14.394 12.028 87 HE2 MET -6 HE2 MET -6 17.238 -16.120 12.360 88 HE3 MET -6 HE3 MET -6 18.173 -14.960 13.302 89 H SER -5 HN SER -5 11.088 -15.868 10.480 90 HA SER -5 HA SER -5 11.722 -13.139 9.548 91 HB2 SER -5 HB2 SER -5 11.971 -15.676 7.943 92 HB3 SER -5 HB1 SER -5 12.480 -14.049 7.490 93 HG SER -5 HG SER -5 14.021 -14.090 9.057 94 H ASP -4 HN ASP -4 9.561 -15.854 9.469 95 HA ASP -4 HA ASP -4 7.864 -14.748 7.395 96 HB2 ASP -4 HB2 ASP -4 7.513 -17.152 9.193 97 HB3 ASP -4 HB1 ASP -4 6.453 -16.732 7.853 98 H ASP -3 HN ASP -3 8.252 -14.666 10.687 99 HA ASP -3 HA ASP -3 5.759 -14.603 11.820 100 HB2 ASP -3 HB2 ASP -3 8.292 -13.253 12.717 101 HB3 ASP -3 HB1 ASP -3 6.865 -13.509 13.719 102 H ASP -2 HN ASP -2 7.655 -11.766 10.657 103 HA ASP -2 HA ASP -2 5.567 -10.049 11.560 104 HB2 ASP -2 HB2 ASP -2 8.238 -9.562 10.277 105 HB3 ASP -2 HB1 ASP -2 7.070 -8.291 10.567 106 H ASP -1 HN ASP -1 5.995 -11.854 8.865 107 HA ASP -1 HA ASP -1 4.553 -9.984 7.155 108 HB2 ASP -1 HB2 ASP -1 5.925 -12.610 6.651 109 HB3 ASP -1 HB1 ASP -1 4.635 -12.121 5.566 110 H LYS 0 HN LYS 0 2.620 -9.793 7.968 111 HA LYS 0 HA LYS 0 1.276 -12.082 9.064 112 HB2 LYS 0 HB2 LYS 0 1.103 -9.812 10.102 113 HB3 LYS 0 HB1 LYS 0 0.197 -9.278 8.702 114 HG2 LYS 0 HG2 LYS 0 -1.300 -9.775 10.549 115 HG3 LYS 0 HG1 LYS 0 -1.564 -10.912 9.224 116 HD2 LYS 0 HD2 LYS 0 -0.251 -12.611 10.375 117 HD3 LYS 0 HD1 LYS 0 0.133 -11.468 11.660 118 HE2 LYS 0 HE2 LYS 0 -2.628 -12.471 10.972 119 HE3 LYS 0 HE1 LYS 0 -1.638 -13.058 12.297 120 HZ1 LYS 0 HZ1 LYS 0 -2.747 -10.305 12.017 121 HZ2 LYS 0 HZ2 LYS 0 -1.663 -10.775 13.210 122 HZ3 LYS 0 HZ3 LYS 0 -3.178 -11.472 13.151 123 H GLY 1 HN GLY 1 0.964 -9.984 6.273 124 HA2 GLY 1 HA2 GLY 1 -0.203 -10.175 4.341 125 HA3 GLY 1 HA1 GLY 1 -0.051 -11.911 4.576 126 H ILE 2 HN ILE 2 -1.996 -9.128 5.653 127 HA ILE 2 HA ILE 2 -4.166 -10.855 6.397 128 HB ILE 2 HB ILE 2 -4.160 -7.811 6.067 129 HG12 ILE 2 HG12 ILE 2 -3.898 -9.478 8.580 130 HG13 ILE 2 HG11 ILE 2 -2.562 -8.662 7.777 131 HG21 ILE 2 HG21 ILE 2 -6.147 -9.606 7.447 132 HG22 ILE 2 HG22 ILE 2 -6.409 -8.749 5.929 133 HG23 ILE 2 HG23 ILE 2 -6.183 -7.843 7.425 134 HD11 ILE 2 HD11 ILE 2 -3.350 -7.406 9.707 135 HD12 ILE 2 HD12 ILE 2 -4.967 -7.328 9.008 136 HD13 ILE 2 HD13 ILE 2 -3.625 -6.505 8.216 137 H HIS 3 HN HIS 3 -5.255 -11.892 4.886 138 HA HIS 3 HA HIS 3 -5.383 -10.826 2.207 139 HB2 HIS 3 HB2 HIS 3 -6.177 -13.505 3.370 140 HB3 HIS 3 HB1 HIS 3 -6.603 -13.045 1.733 141 HD1 HIS 3 HD1 HIS 3 -5.012 -14.138 0.089 142 HD2 HIS 3 HD2 HIS 3 -3.101 -13.141 3.652 143 HE1 HIS 3 HE1 HIS 3 -2.628 -14.844 -0.167 144 H SER 4 HN SER 4 -6.925 -9.714 1.468 145 HA SER 4 HA SER 4 -9.485 -9.498 2.909 146 HB2 SER 4 HB2 SER 4 -9.532 -7.249 1.901 147 HB3 SER 4 HB1 SER 4 -8.012 -7.533 2.737 148 HG SER 4 HG SER 4 -6.948 -7.581 0.995 149 H SER 5 HN SER 5 -10.661 -8.092 0.718 150 HA SER 5 HA SER 5 -10.507 -9.593 -1.675 151 HB2 SER 5 HB2 SER 5 -13.113 -9.594 -0.114 152 HB3 SER 5 HB1 SER 5 -12.851 -10.258 -1.735 153 HG SER 5 HG SER 5 -11.054 -11.364 -0.263 154 H VAL 6 HN VAL 6 -11.005 -8.241 -3.290 155 HA VAL 6 HA VAL 6 -11.793 -5.526 -2.588 156 HB VAL 6 HB VAL 6 -11.129 -6.652 -5.319 157 HG11 VAL 6 HG11 VAL 6 -10.723 -4.305 -5.920 158 HG12 VAL 6 HG12 VAL 6 -11.229 -3.808 -4.305 159 HG13 VAL 6 HG13 VAL 6 -12.385 -4.573 -5.397 160 HG21 VAL 6 HG21 VAL 6 -8.911 -5.657 -4.994 161 HG22 VAL 6 HG22 VAL 6 -9.276 -6.949 -3.837 162 HG23 VAL 6 HG23 VAL 6 -9.390 -5.257 -3.335 163 H LYS 7 HN LYS 7 -13.849 -4.971 -2.656 164 HA LYS 7 HA LYS 7 -15.608 -6.566 -4.360 165 HB2 LYS 7 HB2 LYS 7 -16.122 -5.164 -1.749 166 HB3 LYS 7 HB1 LYS 7 -17.363 -5.956 -2.775 167 HG2 LYS 7 HG2 LYS 7 -15.027 -7.368 -1.537 168 HG3 LYS 7 HG1 LYS 7 -16.606 -7.227 -0.759 169 HD2 LYS 7 HD2 LYS 7 -17.594 -8.230 -2.820 170 HD3 LYS 7 HD1 LYS 7 -15.956 -8.553 -3.378 171 HE2 LYS 7 HE2 LYS 7 -15.504 -9.980 -1.516 172 HE3 LYS 7 HE1 LYS 7 -17.018 -9.526 -0.738 173 HZ1 LYS 7 HZ1 LYS 7 -17.117 -11.712 -1.814 174 HZ2 LYS 7 HZ2 LYS 7 -16.831 -10.997 -3.320 175 HZ3 LYS 7 HZ3 LYS 7 -18.229 -10.634 -2.467 176 H ARG 8 HN ARG 8 -17.561 -5.165 -5.035 177 HA ARG 8 HA ARG 8 -16.474 -2.569 -5.806 178 HB2 ARG 8 HB2 ARG 8 -17.150 -4.058 -7.628 179 HB3 ARG 8 HB1 ARG 8 -18.805 -4.011 -7.015 180 HG2 ARG 8 HG2 ARG 8 -18.903 -1.620 -7.386 181 HG3 ARG 8 HG1 ARG 8 -17.220 -1.629 -7.930 182 HD2 ARG 8 HD2 ARG 8 -19.282 -3.320 -9.080 183 HD3 ARG 8 HD1 ARG 8 -19.070 -1.676 -9.723 184 HE ARG 8 HE ARG 8 -16.685 -2.478 -10.165 185 HH11 ARG 8 HH11 ARG 8 -19.393 -4.754 -10.200 186 HH12 ARG 8 HH12 ARG 8 -18.674 -5.816 -11.323 187 HH21 ARG 8 HH21 ARG 8 -15.712 -3.938 -11.723 188 HH22 ARG 8 HH22 ARG 8 -16.566 -5.339 -12.213 189 H TRP 9 HN TRP 9 -17.221 -0.844 -4.829 190 HA TRP 9 HA TRP 9 -19.840 -0.937 -3.505 191 HB2 TRP 9 HB2 TRP 9 -17.867 -0.741 -2.022 192 HB3 TRP 9 HB1 TRP 9 -17.371 0.686 -2.814 193 HD1 TRP 9 HD1 TRP 9 -21.066 0.391 -1.876 194 HE1 TRP 9 HE1 TRP 9 -21.507 2.020 0.068 195 HE3 TRP 9 HE3 TRP 9 -16.252 1.988 -0.756 196 HZ2 TRP 9 HZ2 TRP 9 -20.214 3.737 1.669 197 HZ3 TRP 9 HZ3 TRP 9 -16.014 3.633 0.939 198 HH2 TRP 9 HH2 TRP 9 -18.015 4.483 2.195 199 H GLY 10 HN GLY 10 -21.143 -0.105 -5.012 200 HA2 GLY 10 HA2 GLY 10 -22.113 1.503 -6.246 201 HA3 GLY 10 HA1 GLY 10 -20.815 2.615 -5.787 202 H ASN 11 HN ASN 11 -19.722 3.248 -7.430 203 HA ASN 11 HA ASN 11 -19.318 1.368 -9.633 204 HB2 ASN 11 HB2 ASN 11 -18.634 3.330 -10.962 205 HB3 ASN 11 HB1 ASN 11 -20.243 3.526 -10.286 206 HD21 ASN 11 HD21 ASN 11 -20.200 5.741 -10.405 207 HD22 ASN 11 HD22 ASN 11 -19.199 6.740 -9.437 208 H SER 12 HN SER 12 -17.618 1.376 -6.913 209 HA SER 12 HA SER 12 -15.149 1.744 -8.296 210 HB2 SER 12 HB2 SER 12 -14.258 2.980 -6.349 211 HB3 SER 12 HB1 SER 12 -15.479 3.863 -7.230 212 HG SER 12 HG SER 12 -16.683 2.400 -5.309 213 HA PRO 13 HA PRO 13 -14.136 -1.993 -6.074 214 HB2 PRO 13 HB2 PRO 13 -11.368 -1.161 -6.316 215 HB3 PRO 13 HB1 PRO 13 -12.168 -2.521 -7.089 216 HG2 PRO 13 HG2 PRO 13 -11.340 -0.131 -8.311 217 HG3 PRO 13 HG1 PRO 13 -12.352 -1.389 -9.029 218 HD2 PRO 13 HD2 PRO 13 -13.121 1.278 -8.141 219 HD3 PRO 13 HD1 PRO 13 -14.069 0.065 -9.010 220 H ALA 14 HN ALA 14 -14.244 -2.034 -3.944 221 HA ALA 14 HA ALA 14 -12.672 -0.106 -2.444 222 HB1 ALA 14 HB1 ALA 14 -15.508 -0.942 -1.839 223 HB2 ALA 14 HB2 ALA 14 -14.999 0.628 -2.452 224 HB3 ALA 14 HB3 ALA 14 -14.504 0.111 -0.843 225 H VAL 15 HN VAL 15 -11.602 -0.930 -0.845 226 HA VAL 15 HA VAL 15 -11.859 -3.806 -0.348 227 HB VAL 15 HB VAL 15 -9.525 -1.969 0.304 228 HG11 VAL 15 HG11 VAL 15 -9.711 -4.980 0.377 229 HG12 VAL 15 HG12 VAL 15 -9.632 -3.912 1.774 230 HG13 VAL 15 HG13 VAL 15 -8.252 -4.034 0.680 231 HG21 VAL 15 HG21 VAL 15 -8.353 -3.071 -1.569 232 HG22 VAL 15 HG22 VAL 15 -9.775 -2.171 -2.103 233 HG23 VAL 15 HG23 VAL 15 -9.849 -3.925 -1.959 234 H ARG 16 HN ARG 16 -12.275 -4.490 1.674 235 HA ARG 16 HA ARG 16 -13.148 -2.547 3.592 236 HB2 ARG 16 HB2 ARG 16 -13.172 -5.542 3.540 237 HB3 ARG 16 HB1 ARG 16 -13.747 -4.620 4.943 238 HG2 ARG 16 HG2 ARG 16 -15.379 -3.566 3.537 239 HG3 ARG 16 HG1 ARG 16 -14.804 -4.467 2.124 240 HD2 ARG 16 HD2 ARG 16 -16.737 -5.433 2.941 241 HD3 ARG 16 HD1 ARG 16 -15.412 -6.520 3.416 242 HE ARG 16 HE ARG 16 -16.228 -4.546 5.352 243 HH11 ARG 16 HH11 ARG 16 -16.625 -7.887 4.235 244 HH12 ARG 16 HH12 ARG 16 -17.320 -8.440 5.681 245 HH21 ARG 16 HH21 ARG 16 -17.208 -5.376 7.408 246 HH22 ARG 16 HH22 ARG 16 -17.610 -7.025 7.473 247 H ILE 17 HN ILE 17 -11.554 -1.578 4.709 248 HA ILE 17 HA ILE 17 -9.123 -3.016 5.319 249 HB ILE 17 HB ILE 17 -9.901 -0.095 5.423 250 HG12 ILE 17 HG12 ILE 17 -7.640 0.141 4.238 251 HG13 ILE 17 HG11 ILE 17 -7.703 -1.603 4.047 252 HG21 ILE 17 HG21 ILE 17 -7.810 0.531 6.374 253 HG22 ILE 17 HG22 ILE 17 -7.433 -1.169 6.709 254 HG23 ILE 17 HG23 ILE 17 -8.801 -0.376 7.528 255 HD11 ILE 17 HD11 ILE 17 -8.455 -0.393 2.096 256 HD12 ILE 17 HD12 ILE 17 -9.722 0.347 3.095 257 HD13 ILE 17 HD13 ILE 17 -9.732 -1.402 2.794 258 HA PRO 18 HA PRO 18 -10.553 -4.002 9.400 259 HB2 PRO 18 HB2 PRO 18 -8.048 -4.261 10.566 260 HB3 PRO 18 HB1 PRO 18 -8.878 -5.546 9.686 261 HG2 PRO 18 HG2 PRO 18 -6.727 -3.697 8.760 262 HG3 PRO 18 HG1 PRO 18 -6.972 -5.409 8.379 263 HD2 PRO 18 HD2 PRO 18 -7.596 -3.447 6.654 264 HD3 PRO 18 HD1 PRO 18 -8.543 -4.945 6.746 265 H ALA 19 HN ALA 19 -11.229 -2.606 10.851 266 HA ALA 19 HA ALA 19 -10.444 0.087 10.977 267 HB1 ALA 19 HB1 ALA 19 -11.917 0.244 12.925 268 HB2 ALA 19 HB2 ALA 19 -11.990 -1.516 13.018 269 HB3 ALA 19 HB3 ALA 19 -12.679 -0.678 11.631 270 H THR 20 HN THR 20 -9.342 -2.727 12.606 271 HA THR 20 HA THR 20 -8.020 -1.810 14.829 272 HB THR 20 HB THR 20 -6.990 -3.908 12.919 273 HG1 THR 20 HG1 THR 20 -9.188 -3.990 14.733 274 HG21 THR 20 HG21 THR 20 -7.102 -3.755 15.938 275 HG22 THR 20 HG22 THR 20 -5.669 -3.449 14.953 276 HG23 THR 20 HG23 THR 20 -6.385 -5.062 14.994 277 H LEU 21 HN LEU 21 -7.049 -1.703 11.410 278 HA LEU 21 HA LEU 21 -4.377 -0.781 11.989 279 HB2 LEU 21 HB2 LEU 21 -5.905 -1.437 9.527 280 HB3 LEU 21 HB1 LEU 21 -4.485 -0.421 9.393 281 HG LEU 21 HG LEU 21 -4.199 -2.804 8.946 282 HD11 LEU 21 HD11 LEU 21 -2.281 -1.356 9.516 283 HD12 LEU 21 HD12 LEU 21 -2.028 -2.944 10.242 284 HD13 LEU 21 HD13 LEU 21 -2.594 -1.598 11.234 285 HD21 LEU 21 HD21 LEU 21 -4.573 -3.022 11.905 286 HD22 LEU 21 HD22 LEU 21 -3.885 -4.327 10.926 287 HD23 LEU 21 HD23 LEU 21 -5.561 -3.800 10.671 288 H MET 22 HN MET 22 -7.319 0.440 10.875 289 HA MET 22 HA MET 22 -6.664 3.119 10.325 290 HB2 MET 22 HB2 MET 22 -9.114 1.979 11.664 291 HB3 MET 22 HB1 MET 22 -9.006 3.644 11.135 292 HG2 MET 22 HG2 MET 22 -8.689 1.296 9.272 293 HG3 MET 22 HG1 MET 22 -10.239 2.062 9.624 294 HE1 MET 22 HE1 MET 22 -9.823 5.624 8.286 295 HE2 MET 22 HE2 MET 22 -9.474 5.069 9.922 296 HE3 MET 22 HE3 MET 22 -10.883 4.444 9.071 297 H GLN 23 HN GLN 23 -7.625 1.676 13.309 298 HA GLN 23 HA GLN 23 -7.119 3.804 15.071 299 HB2 GLN 23 HB2 GLN 23 -6.918 0.839 15.538 300 HB3 GLN 23 HB1 GLN 23 -6.974 2.071 16.791 301 HG2 GLN 23 HG2 GLN 23 -9.136 2.735 16.110 302 HG3 GLN 23 HG1 GLN 23 -9.112 1.639 14.742 303 HE21 GLN 23 HE21 GLN 23 -10.991 1.749 16.911 304 HE22 GLN 23 HE22 GLN 23 -10.962 0.210 17.699 305 H ALA 24 HN ALA 24 -5.056 1.345 13.729 306 HA ALA 24 HA ALA 24 -2.908 1.731 15.582 307 HB1 ALA 24 HB1 ALA 24 -3.194 -0.381 14.351 308 HB2 ALA 24 HB2 ALA 24 -1.579 0.294 14.148 309 HB3 ALA 24 HB3 ALA 24 -2.768 0.454 12.855 310 H LEU 25 HN LEU 25 -3.667 3.035 12.466 311 HA LEU 25 HA LEU 25 -1.188 4.554 12.468 312 HB2 LEU 25 HB2 LEU 25 -3.264 4.093 10.369 313 HB3 LEU 25 HB1 LEU 25 -1.867 5.138 10.145 314 HG LEU 25 HG LEU 25 -1.616 2.230 10.887 315 HD11 LEU 25 HD11 LEU 25 -1.615 3.520 8.189 316 HD12 LEU 25 HD12 LEU 25 -2.810 2.385 8.826 317 HD13 LEU 25 HD13 LEU 25 -1.149 1.848 8.527 318 HD21 LEU 25 HD21 LEU 25 0.644 2.510 10.006 319 HD22 LEU 25 HD22 LEU 25 0.349 3.646 11.322 320 HD23 LEU 25 HD23 LEU 25 0.300 4.197 9.643 321 H ASN 26 HN ASN 26 -4.165 4.878 13.661 322 HA ASN 26 HA ASN 26 -5.285 6.489 14.693 323 HB2 ASN 26 HB2 ASN 26 -2.777 8.075 14.212 324 HB3 ASN 26 HB1 ASN 26 -4.159 8.745 15.073 325 HD21 ASN 26 HD21 ASN 26 -1.531 6.501 15.188 326 HD22 ASN 26 HD22 ASN 26 -1.701 6.072 16.848 327 H LEU 27 HN LEU 27 -5.753 6.191 11.816 328 HA LEU 27 HA LEU 27 -6.651 8.880 11.221 329 HB2 LEU 27 HB2 LEU 27 -7.123 8.082 9.012 330 HB3 LEU 27 HB1 LEU 27 -5.419 7.953 9.395 331 HG LEU 27 HG LEU 27 -7.153 5.525 9.632 332 HD11 LEU 27 HD11 LEU 27 -6.024 6.669 7.083 333 HD12 LEU 27 HD12 LEU 27 -7.724 6.683 7.563 334 HD13 LEU 27 HD13 LEU 27 -6.916 5.135 7.267 335 HD21 LEU 27 HD21 LEU 27 -5.115 4.448 8.859 336 HD22 LEU 27 HD22 LEU 27 -4.747 5.466 10.249 337 HD23 LEU 27 HD23 LEU 27 -4.344 6.012 8.630 338 H ASN 28 HN ASN 28 -8.865 9.009 10.291 339 HA ASN 28 HA ASN 28 -10.688 7.081 11.606 340 HB2 ASN 28 HB2 ASN 28 -10.868 10.106 11.565 341 HB3 ASN 28 HB1 ASN 28 -12.252 9.097 11.824 342 HD21 ASN 28 HD21 ASN 28 -9.296 7.928 13.244 343 HD22 ASN 28 HD22 ASN 28 -9.668 8.427 14.855 344 H ILE 29 HN ILE 29 -13.041 7.600 10.713 345 HA ILE 29 HA ILE 29 -12.978 7.255 7.877 346 HB ILE 29 HB ILE 29 -15.251 7.661 9.845 347 HG12 ILE 29 HG12 ILE 29 -14.119 5.509 10.138 348 HG13 ILE 29 HG11 ILE 29 -15.732 5.261 9.494 349 HG21 ILE 29 HG21 ILE 29 -16.819 6.908 8.079 350 HG22 ILE 29 HG22 ILE 29 -15.497 6.924 6.921 351 HG23 ILE 29 HG23 ILE 29 -16.032 8.436 7.664 352 HD11 ILE 29 HD11 ILE 29 -13.152 5.162 7.956 353 HD12 ILE 29 HD12 ILE 29 -14.763 4.922 7.277 354 HD13 ILE 29 HD13 ILE 29 -14.129 3.792 8.479 355 H ASP 30 HN ASP 30 -13.612 8.703 6.333 356 HA ASP 30 HA ASP 30 -13.934 10.583 5.267 357 HB2 ASP 30 HB2 ASP 30 -14.824 11.654 7.927 358 HB3 ASP 30 HB1 ASP 30 -14.522 12.773 6.601 359 H ASP 31 HN ASP 31 -11.404 9.750 6.716 360 HA ASP 31 HA ASP 31 -10.019 12.285 6.532 361 HB2 ASP 31 HB2 ASP 31 -9.558 10.373 8.317 362 HB3 ASP 31 HB1 ASP 31 -8.666 9.624 7.000 363 H GLU 32 HN GLU 32 -7.845 11.844 5.301 364 HA GLU 32 HA GLU 32 -8.619 10.925 2.626 365 HB2 GLU 32 HB2 GLU 32 -8.723 13.284 2.757 366 HB3 GLU 32 HB1 GLU 32 -7.188 13.404 3.579 367 HG2 GLU 32 HG2 GLU 32 -6.060 12.696 1.597 368 HG3 GLU 32 HG1 GLU 32 -7.613 12.448 0.780 369 H VAL 33 HN VAL 33 -7.094 9.592 1.606 370 HA VAL 33 HA VAL 33 -4.472 9.512 2.884 371 HB VAL 33 HB VAL 33 -4.274 7.192 3.013 372 HG11 VAL 33 HG11 VAL 33 -5.822 8.026 4.595 373 HG12 VAL 33 HG12 VAL 33 -6.208 6.338 4.117 374 HG13 VAL 33 HG13 VAL 33 -7.126 7.706 3.430 375 HG21 VAL 33 HG21 VAL 33 -5.727 5.536 1.945 376 HG22 VAL 33 HG22 VAL 33 -4.984 6.598 0.741 377 HG23 VAL 33 HG23 VAL 33 -6.667 6.843 1.226 378 H LYS 34 HN LYS 34 -2.777 8.694 1.618 379 HA LYS 34 HA LYS 34 -3.182 9.301 -1.246 380 HB2 LYS 34 HB2 LYS 34 -0.557 8.894 0.180 381 HB3 LYS 34 HB1 LYS 34 -0.757 9.384 -1.489 382 HG2 LYS 34 HG2 LYS 34 -1.901 11.456 -0.574 383 HG3 LYS 34 HG1 LYS 34 -1.316 10.925 1.003 384 HD2 LYS 34 HD2 LYS 34 0.410 11.574 -1.403 385 HD3 LYS 34 HD1 LYS 34 0.189 12.597 0.002 386 HE2 LYS 34 HE2 LYS 34 2.279 11.570 0.350 387 HE3 LYS 34 HE1 LYS 34 1.182 10.623 1.349 388 HZ1 LYS 34 HZ1 LYS 34 2.232 9.879 -1.332 389 HZ2 LYS 34 HZ2 LYS 34 1.118 8.954 -0.465 390 HZ3 LYS 34 HZ3 LYS 34 2.658 9.145 0.122 391 H ILE 35 HN ILE 35 -3.434 7.682 -2.558 392 HA ILE 35 HA ILE 35 -2.139 5.113 -1.994 393 HB ILE 35 HB ILE 35 -4.084 5.822 -4.248 394 HG12 ILE 35 HG12 ILE 35 -5.604 4.092 -3.090 395 HG13 ILE 35 HG11 ILE 35 -4.573 4.291 -1.684 396 HG21 ILE 35 HG21 ILE 35 -2.893 3.158 -3.524 397 HG22 ILE 35 HG22 ILE 35 -2.544 4.124 -4.955 398 HG23 ILE 35 HG23 ILE 35 -4.143 3.412 -4.740 399 HD11 ILE 35 HD11 ILE 35 -6.597 5.645 -1.518 400 HD12 ILE 35 HD12 ILE 35 -6.169 6.432 -3.034 401 HD13 ILE 35 HD13 ILE 35 -5.157 6.661 -1.613 402 H ASP 36 HN ASP 36 -0.120 5.047 -2.765 403 HA ASP 36 HA ASP 36 0.378 6.543 -5.233 404 HB2 ASP 36 HB2 ASP 36 1.304 7.413 -2.870 405 HB3 ASP 36 HB1 ASP 36 2.507 6.190 -3.166 406 H LEU 37 HN LEU 37 1.260 5.263 -6.843 407 HA LEU 37 HA LEU 37 1.692 2.582 -6.186 408 HB2 LEU 37 HB2 LEU 37 0.246 3.562 -8.072 409 HB3 LEU 37 HB1 LEU 37 1.770 4.070 -8.768 410 HG LEU 37 HG LEU 37 0.749 2.047 -9.795 411 HD11 LEU 37 HD11 LEU 37 2.837 0.824 -9.951 412 HD12 LEU 37 HD12 LEU 37 3.438 1.847 -8.594 413 HD13 LEU 37 HD13 LEU 37 3.010 2.582 -10.126 414 HD21 LEU 37 HD21 LEU 37 -0.033 1.097 -7.685 415 HD22 LEU 37 HD22 LEU 37 1.641 0.681 -7.278 416 HD23 LEU 37 HD23 LEU 37 0.857 -0.051 -8.685 417 H VAL 38 HN VAL 38 3.588 1.800 -6.210 418 HA VAL 38 HA VAL 38 5.957 3.281 -7.174 419 HB VAL 38 HB VAL 38 5.961 2.058 -4.399 420 HG11 VAL 38 HG11 VAL 38 8.133 2.055 -5.421 421 HG12 VAL 38 HG12 VAL 38 8.097 3.236 -4.111 422 HG13 VAL 38 HG13 VAL 38 8.002 3.775 -5.787 423 HG21 VAL 38 HG21 VAL 38 5.790 5.000 -5.090 424 HG22 VAL 38 HG22 VAL 38 6.037 4.349 -3.475 425 HG23 VAL 38 HG23 VAL 38 4.529 4.034 -4.333 426 H ASP 39 HN ASP 39 6.673 1.791 -8.656 427 HA ASP 39 HA ASP 39 7.751 -0.064 -9.480 428 HB2 ASP 39 HB2 ASP 39 9.194 0.255 -7.445 429 HB3 ASP 39 HB1 ASP 39 8.136 -0.820 -6.549 430 H GLY 40 HN GLY 40 4.966 -0.078 -8.964 431 HA2 GLY 40 HA2 GLY 40 3.239 -1.568 -9.519 432 HA3 GLY 40 HA1 GLY 40 4.387 -2.891 -9.362 433 H LYS 41 HN LYS 41 4.551 -0.941 -6.658 434 HA LYS 41 HA LYS 41 2.942 -2.842 -5.121 435 HB2 LYS 41 HB2 LYS 41 5.429 -2.203 -4.690 436 HB3 LYS 41 HB1 LYS 41 4.762 -0.719 -4.064 437 HG2 LYS 41 HG2 LYS 41 5.104 -2.106 -2.181 438 HG3 LYS 41 HG1 LYS 41 3.366 -2.093 -2.486 439 HD2 LYS 41 HD2 LYS 41 3.998 -4.332 -2.026 440 HD3 LYS 41 HD1 LYS 41 3.675 -4.229 -3.764 441 HE2 LYS 41 HE2 LYS 41 6.178 -3.963 -4.095 442 HE3 LYS 41 HE1 LYS 41 6.351 -4.282 -2.377 443 HZ1 LYS 41 HZ1 LYS 41 6.699 -6.263 -3.658 444 HZ2 LYS 41 HZ2 LYS 41 5.216 -6.122 -4.399 445 HZ3 LYS 41 HZ3 LYS 41 5.291 -6.473 -2.756 446 H LEU 42 HN LEU 42 1.218 -2.063 -3.894 447 HA LEU 42 HA LEU 42 0.534 0.702 -4.371 448 HB2 LEU 42 HB2 LEU 42 -1.058 -1.592 -3.253 449 HB3 LEU 42 HB1 LEU 42 -1.626 0.062 -3.164 450 HG LEU 42 HG LEU 42 -0.896 -1.168 -5.759 451 HD11 LEU 42 HD11 LEU 42 -3.336 -1.779 -5.999 452 HD12 LEU 42 HD12 LEU 42 -3.591 -1.281 -4.329 453 HD13 LEU 42 HD13 LEU 42 -2.565 -2.673 -4.689 454 HD21 LEU 42 HD21 LEU 42 -2.761 1.072 -4.956 455 HD22 LEU 42 HD22 LEU 42 -2.723 0.380 -6.556 456 HD23 LEU 42 HD23 LEU 42 -1.318 1.224 -5.973 457 H ILE 43 HN ILE 43 1.411 1.959 -3.227 458 HA ILE 43 HA ILE 43 1.981 1.359 -0.429 459 HB ILE 43 HB ILE 43 2.840 3.643 -2.145 460 HG12 ILE 43 HG12 ILE 43 3.706 1.555 -2.930 461 HG13 ILE 43 HG11 ILE 43 5.019 2.577 -2.327 462 HG21 ILE 43 HG21 ILE 43 3.808 2.827 0.599 463 HG22 ILE 43 HG22 ILE 43 2.873 4.266 0.176 464 HG23 ILE 43 HG23 ILE 43 4.532 4.101 -0.393 465 HD11 ILE 43 HD11 ILE 43 3.773 0.196 -0.943 466 HD12 ILE 43 HD12 ILE 43 5.055 1.204 -0.268 467 HD13 ILE 43 HD13 ILE 43 5.355 0.240 -1.714 468 H ILE 44 HN ILE 44 0.400 1.811 0.706 469 HA ILE 44 HA ILE 44 -1.134 4.238 0.216 470 HB ILE 44 HB ILE 44 -1.915 1.730 1.741 471 HG12 ILE 44 HG12 ILE 44 -3.988 1.889 0.348 472 HG13 ILE 44 HG11 ILE 44 -3.320 3.311 -0.426 473 HG21 ILE 44 HG21 ILE 44 -3.350 4.380 1.904 474 HG22 ILE 44 HG22 ILE 44 -2.484 3.583 3.212 475 HG23 ILE 44 HG23 ILE 44 -3.945 2.848 2.547 476 HD11 ILE 44 HD11 ILE 44 -3.132 1.361 -1.841 477 HD12 ILE 44 HD12 ILE 44 -2.214 0.513 -0.599 478 HD13 ILE 44 HD13 ILE 44 -1.534 1.941 -1.378 479 H GLU 45 HN GLU 45 -0.961 5.874 1.429 480 HA GLU 45 HA GLU 45 0.402 5.647 4.018 481 HB2 GLU 45 HB2 GLU 45 0.914 7.742 1.868 482 HB3 GLU 45 HB1 GLU 45 1.564 7.802 3.495 483 HG2 GLU 45 HG2 GLU 45 2.866 5.828 3.072 484 HG3 GLU 45 HG1 GLU 45 2.242 5.675 1.438 485 HA PRO 46 HA PRO 46 -3.050 8.182 4.774 486 HB2 PRO 46 HB2 PRO 46 -2.346 9.012 7.336 487 HB3 PRO 46 HB1 PRO 46 -3.212 7.533 6.931 488 HG2 PRO 46 HG2 PRO 46 -0.670 7.793 7.996 489 HG3 PRO 46 HG1 PRO 46 -1.427 6.287 7.403 490 HD2 PRO 46 HD2 PRO 46 0.510 8.126 6.057 491 HD3 PRO 46 HD1 PRO 46 0.391 6.393 5.796 492 H VAL 47 HN VAL 47 -3.519 10.403 5.412 493 HA VAL 47 HA VAL 47 -1.221 12.103 4.785 494 HB VAL 47 HB VAL 47 -4.080 13.031 4.484 495 HG11 VAL 47 HG11 VAL 47 -3.046 14.753 3.125 496 HG12 VAL 47 HG12 VAL 47 -1.503 13.933 3.347 497 HG13 VAL 47 HG13 VAL 47 -2.294 14.709 4.751 498 HG21 VAL 47 HG21 VAL 47 -2.248 11.922 2.393 499 HG22 VAL 47 HG22 VAL 47 -3.722 12.810 2.036 500 HG23 VAL 47 HG23 VAL 47 -3.813 11.264 2.897 501 H ARG 48 HN ARG 48 -0.457 12.708 6.518 502 HA ARG 48 HA ARG 48 -2.071 12.748 8.858 503 HB2 ARG 48 HB2 ARG 48 0.858 13.267 8.512 504 HB3 ARG 48 HB1 ARG 48 0.028 13.240 10.063 505 HG2 ARG 48 HG2 ARG 48 -0.627 10.900 9.587 506 HG3 ARG 48 HG1 ARG 48 0.372 10.962 8.129 507 HD2 ARG 48 HD2 ARG 48 2.311 11.511 9.504 508 HD3 ARG 48 HD1 ARG 48 1.279 11.439 10.937 509 HE ARG 48 HE ARG 48 1.395 9.051 9.306 510 HH11 ARG 48 HH11 ARG 48 2.505 10.743 12.234 511 HH12 ARG 48 HH12 ARG 48 3.178 9.354 12.944 512 HH21 ARG 48 HH21 ARG 48 2.331 7.122 10.308 513 HH22 ARG 48 HH22 ARG 48 3.078 7.259 11.831 514 H LYS 49 HN LYS 49 -2.986 14.314 9.704 515 HA LYS 49 HA LYS 49 -2.575 16.993 8.745 516 HB2 LYS 49 HB2 LYS 49 -4.617 15.676 10.549 517 HB3 LYS 49 HB1 LYS 49 -4.483 17.421 10.470 518 HG2 LYS 49 HG2 LYS 49 -6.302 16.445 9.047 519 HG3 LYS 49 HG1 LYS 49 -5.157 17.457 8.178 520 HD2 LYS 49 HD2 LYS 49 -4.049 15.491 7.286 521 HD3 LYS 49 HD1 LYS 49 -5.077 14.440 8.254 522 HE2 LYS 49 HE2 LYS 49 -6.196 16.341 6.209 523 HE3 LYS 49 HE1 LYS 49 -5.670 14.713 5.792 524 HZ1 LYS 49 HZ1 LYS 49 -7.281 13.769 7.123 525 HZ2 LYS 49 HZ2 LYS 49 -8.114 15.061 6.383 526 HZ3 LYS 49 HZ3 LYS 49 -7.594 15.179 7.973 527 H GLU 50 HN GLU 50 -0.790 17.652 9.483 528 HA GLU 50 HA GLU 50 -0.321 17.757 12.358 529 HB2 GLU 50 HB2 GLU 50 0.952 15.879 11.237 530 HB3 GLU 50 HB1 GLU 50 1.744 17.085 10.242 531 HG2 GLU 50 HG2 GLU 50 2.700 18.088 12.278 532 HG3 GLU 50 HG1 GLU 50 1.937 16.814 13.230 533 H1 ASN -16 HT1 ASN -16 14.286 8.831 -2.551 534 H2 ASN -16 HT2 ASN -16 15.579 8.942 -1.484 535 H3 ASN -16 HT3 ASN -16 15.245 7.463 -2.232 536 HA ASN -16 HA ASN -16 17.135 8.560 -3.206 537 HB2 ASN -16 HB2 ASN -16 16.411 8.581 -5.559 538 HB3 ASN -16 HB1 ASN -16 15.652 7.245 -4.712 539 HD21 ASN -16 HD21 ASN -16 14.784 8.428 -7.153 540 HD22 ASN -16 HD22 ASN -16 13.198 9.022 -6.879 541 H HIS -15 HN HIS -15 17.481 10.407 -5.005 542 HA HIS -15 HA HIS -15 17.427 12.749 -3.458 543 HB2 HIS -15 HB2 HIS -15 19.295 12.243 -4.949 544 HB3 HIS -15 HB1 HIS -15 18.244 12.385 -6.347 545 HD1 HIS -15 HD1 HIS -15 18.823 14.559 -7.548 546 HD2 HIS -15 HD2 HIS -15 19.021 14.936 -3.410 547 HE1 HIS -15 HE1 HIS -15 19.416 16.946 -7.092 548 H LYS -14 HN LYS -14 15.696 13.770 -3.083 549 HA LYS -14 HA LYS -14 13.842 14.546 -5.173 550 HB2 LYS -14 HB2 LYS -14 13.981 14.923 -2.183 551 HB3 LYS -14 HB1 LYS -14 13.006 16.027 -3.136 552 HG2 LYS -14 HG2 LYS -14 12.634 13.037 -3.229 553 HG3 LYS -14 HG1 LYS -14 11.790 14.077 -2.076 554 HD2 LYS -14 HD2 LYS -14 10.887 15.390 -3.971 555 HD3 LYS -14 HD1 LYS -14 11.678 14.289 -5.089 556 HE2 LYS -14 HE2 LYS -14 9.602 13.459 -3.064 557 HE3 LYS -14 HE1 LYS -14 9.243 13.854 -4.741 558 HZ1 LYS -14 HZ1 LYS -14 10.899 11.574 -3.761 559 HZ2 LYS -14 HZ2 LYS -14 10.798 12.060 -5.364 560 HZ3 LYS -14 HZ3 LYS -14 9.418 11.525 -4.597 561 H VAL -13 HN VAL -13 14.664 15.976 -6.514 562 HA VAL -13 HA VAL -13 16.950 17.422 -6.121 563 HB VAL -13 HB VAL -13 16.304 18.847 -8.071 564 HG11 VAL -13 HG11 VAL -13 15.955 15.876 -8.412 565 HG12 VAL -13 HG12 VAL -13 17.481 16.757 -8.404 566 HG13 VAL -13 HG13 VAL -13 16.319 17.019 -9.704 567 HG21 VAL -13 HG21 VAL -13 13.884 18.914 -7.724 568 HG22 VAL -13 HG22 VAL -13 13.790 17.176 -8.042 569 HG23 VAL -13 HG23 VAL -13 14.302 18.283 -9.318 570 H HIS -12 HN HIS -12 17.566 19.242 -5.424 571 HA HIS -12 HA HIS -12 15.695 20.959 -3.982 572 HB2 HIS -12 HB2 HIS -12 17.822 21.827 -2.907 573 HB3 HIS -12 HB1 HIS -12 17.515 20.124 -2.611 574 HD1 HIS -12 HD1 HIS -12 19.311 18.429 -3.511 575 HD2 HIS -12 HD2 HIS -12 20.028 22.395 -4.564 576 HE1 HIS -12 HE1 HIS -12 21.626 18.500 -4.429 577 H HIS -11 HN HIS -11 15.878 20.923 -6.789 578 HA HIS -11 HA HIS -11 17.041 23.536 -7.445 579 HB2 HIS -11 HB2 HIS -11 16.535 21.151 -9.262 580 HB3 HIS -11 HB1 HIS -11 17.165 22.706 -9.776 581 HD1 HIS -11 HD1 HIS -11 19.707 22.935 -9.746 582 HD2 HIS -11 HD2 HIS -11 18.349 19.680 -7.544 583 HE1 HIS -11 HE1 HIS -11 21.739 21.643 -9.082 584 H HIS -10 HN HIS -10 15.581 24.978 -8.292 585 HA HIS -10 HA HIS -10 12.859 24.022 -8.390 586 HB2 HIS -10 HB2 HIS -10 13.997 26.811 -8.234 587 HB3 HIS -10 HB1 HIS -10 12.299 26.517 -8.594 588 HD1 HIS -10 HD1 HIS -10 13.868 27.689 -5.817 589 HD2 HIS -10 HD2 HIS -10 11.677 24.209 -6.436 590 HE1 HIS -10 HE1 HIS -10 13.047 26.970 -3.560 591 H HIS -9 HN HIS -9 11.529 24.348 -10.076 592 HA HIS -9 HA HIS -9 10.842 24.315 -12.198 593 HB2 HIS -9 HB2 HIS -9 13.486 25.597 -12.972 594 HB3 HIS -9 HB1 HIS -9 12.107 25.381 -14.046 595 HD1 HIS -9 HD1 HIS -9 13.610 27.922 -12.075 596 HD2 HIS -9 HD2 HIS -9 9.709 26.688 -12.775 597 HE1 HIS -9 HE1 HIS -9 12.125 29.819 -11.315 598 H HIS -8 HN HIS -8 14.218 23.373 -11.928 599 HA HIS -8 HA HIS -8 13.876 21.181 -13.754 600 HB2 HIS -8 HB2 HIS -8 16.082 22.290 -13.528 601 HB3 HIS -8 HB1 HIS -8 16.153 21.826 -11.835 602 HD1 HIS -8 HD1 HIS -8 17.025 20.641 -15.235 603 HD2 HIS -8 HD2 HIS -8 16.541 18.993 -11.444 604 HE1 HIS -8 HE1 HIS -8 18.146 18.387 -15.296 605 H HIS -7 HN HIS -7 12.129 20.138 -12.855 606 HA HIS -7 HA HIS -7 12.739 18.689 -10.396 607 HB2 HIS -7 HB2 HIS -7 10.067 19.576 -11.466 608 HB3 HIS -7 HB1 HIS -7 10.227 18.377 -10.189 609 HD1 HIS -7 HD1 HIS -7 10.365 19.316 -7.816 610 HD2 HIS -7 HD2 HIS -7 11.060 22.171 -10.762 611 HE1 HIS -7 HE1 HIS -7 10.535 21.520 -6.635 612 H MET -6 HN MET -6 13.081 16.669 -10.631 613 HA MET -6 HA MET -6 11.600 15.174 -12.663 614 HB2 MET -6 HB2 MET -6 13.622 13.899 -13.256 615 HB3 MET -6 HB1 MET -6 13.800 15.598 -13.650 616 HG2 MET -6 HG2 MET -6 15.163 15.925 -11.650 617 HG3 MET -6 HG1 MET -6 14.966 14.221 -11.239 618 HE1 MET -6 HE1 MET -6 17.641 14.059 -11.047 619 HE2 MET -6 HE2 MET -6 17.782 15.753 -11.516 620 HE3 MET -6 HE3 MET -6 18.737 14.530 -12.348 621 H SER -5 HN SER -5 11.679 15.660 -9.737 622 HA SER -5 HA SER -5 12.162 12.905 -8.845 623 HB2 SER -5 HB2 SER -5 12.511 15.418 -7.242 624 HB3 SER -5 HB1 SER -5 12.853 13.767 -6.717 625 HG SER -5 HG SER -5 14.579 13.707 -7.860 626 H ASP -4 HN ASP -4 10.042 15.660 -8.726 627 HA ASP -4 HA ASP -4 8.344 14.525 -6.649 628 HB2 ASP -4 HB2 ASP -4 7.970 16.991 -8.355 629 HB3 ASP -4 HB1 ASP -4 6.948 16.516 -7.007 630 H ASP -3 HN ASP -3 8.681 14.502 -9.941 631 HA ASP -3 HA ASP -3 6.168 14.634 -11.022 632 HB2 ASP -3 HB2 ASP -3 8.545 13.113 -12.081 633 HB3 ASP -3 HB1 ASP -3 7.191 13.740 -13.015 634 H ASP -2 HN ASP -2 7.937 11.620 -10.038 635 HA ASP -2 HA ASP -2 5.757 10.092 -11.023 636 HB2 ASP -2 HB2 ASP -2 8.381 9.360 -9.774 637 HB3 ASP -2 HB1 ASP -2 7.141 8.179 -10.149 638 H ASP -1 HN ASP -1 6.549 11.494 -8.062 639 HA ASP -1 HA ASP -1 4.885 9.720 -6.494 640 HB2 ASP -1 HB2 ASP -1 6.094 12.438 -5.882 641 HB3 ASP -1 HB1 ASP -1 4.975 11.661 -4.775 642 H LYS 0 HN LYS 0 2.979 9.646 -7.537 643 HA LYS 0 HA LYS 0 1.709 11.991 -8.524 644 HB2 LYS 0 HB2 LYS 0 1.432 9.768 -9.604 645 HB3 LYS 0 HB1 LYS 0 0.522 9.216 -8.216 646 HG2 LYS 0 HG2 LYS 0 -0.997 9.790 -9.989 647 HG3 LYS 0 HG1 LYS 0 -1.179 10.957 -8.679 648 HD2 LYS 0 HD2 LYS 0 0.248 12.543 -9.899 649 HD3 LYS 0 HD1 LYS 0 0.431 11.375 -11.202 650 HE2 LYS 0 HE2 LYS 0 -2.169 12.618 -10.300 651 HE3 LYS 0 HE1 LYS 0 -1.242 13.110 -11.710 652 HZ1 LYS 0 HZ1 LYS 0 -2.564 10.485 -11.293 653 HZ2 LYS 0 HZ2 LYS 0 -1.590 10.846 -12.602 654 HZ3 LYS 0 HZ3 LYS 0 -3.032 11.693 -12.362 655 H GLY 1 HN GLY 1 1.199 9.885 -5.775 656 HA2 GLY 1 HA2 GLY 1 0.034 10.171 -3.832 657 HA3 GLY 1 HA1 GLY 1 0.234 11.896 -4.095 658 H ILE 2 HN ILE 2 -1.785 9.125 -5.074 659 HA ILE 2 HA ILE 2 -3.890 10.902 -5.887 660 HB ILE 2 HB ILE 2 -3.952 7.872 -5.524 661 HG12 ILE 2 HG12 ILE 2 -3.577 9.519 -8.039 662 HG13 ILE 2 HG11 ILE 2 -2.304 8.636 -7.214 663 HG21 ILE 2 HG21 ILE 2 -5.863 9.715 -6.970 664 HG22 ILE 2 HG22 ILE 2 -6.185 8.882 -5.450 665 HG23 ILE 2 HG23 ILE 2 -5.964 7.954 -6.934 666 HD11 ILE 2 HD11 ILE 2 -3.098 7.435 -9.169 667 HD12 ILE 2 HD12 ILE 2 -4.736 7.425 -8.516 668 HD13 ILE 2 HD13 ILE 2 -3.455 6.532 -7.698 669 H HIS 3 HN HIS 3 -4.968 11.951 -4.403 670 HA HIS 3 HA HIS 3 -5.161 10.915 -1.716 671 HB2 HIS 3 HB2 HIS 3 -5.844 13.595 -2.916 672 HB3 HIS 3 HB1 HIS 3 -6.338 13.164 -1.286 673 HD1 HIS 3 HD1 HIS 3 -4.769 14.183 0.392 674 HD2 HIS 3 HD2 HIS 3 -2.792 13.112 -3.113 675 HE1 HIS 3 HE1 HIS 3 -2.365 14.747 0.737 676 H SER 4 HN SER 4 -6.734 9.884 -0.984 677 HA SER 4 HA SER 4 -9.272 9.660 -2.465 678 HB2 SER 4 HB2 SER 4 -9.308 7.434 -1.290 679 HB3 SER 4 HB1 SER 4 -7.861 7.682 -2.271 680 HG SER 4 HG SER 4 -6.689 7.859 -0.596 681 H SER 5 HN SER 5 -10.534 8.340 -0.314 682 HA SER 5 HA SER 5 -10.305 9.812 2.089 683 HB2 SER 5 HB2 SER 5 -12.905 9.890 0.530 684 HB3 SER 5 HB1 SER 5 -12.640 10.487 2.178 685 HG SER 5 HG SER 5 -10.817 11.555 0.621 686 H VAL 6 HN VAL 6 -10.841 8.498 3.715 687 HA VAL 6 HA VAL 6 -11.670 5.796 3.033 688 HB VAL 6 HB VAL 6 -11.022 6.924 5.768 689 HG11 VAL 6 HG11 VAL 6 -10.690 4.579 6.392 690 HG12 VAL 6 HG12 VAL 6 -11.149 4.079 4.764 691 HG13 VAL 6 HG13 VAL 6 -12.332 4.861 5.811 692 HG21 VAL 6 HG21 VAL 6 -8.822 5.874 5.468 693 HG22 VAL 6 HG22 VAL 6 -9.151 7.179 4.312 694 HG23 VAL 6 HG23 VAL 6 -9.297 5.491 3.802 695 H LYS 7 HN LYS 7 -13.748 5.321 3.016 696 HA LYS 7 HA LYS 7 -15.508 6.952 4.684 697 HB2 LYS 7 HB2 LYS 7 -15.977 5.523 2.076 698 HB3 LYS 7 HB1 LYS 7 -17.210 6.402 3.025 699 HG2 LYS 7 HG2 LYS 7 -14.756 7.694 1.880 700 HG3 LYS 7 HG1 LYS 7 -16.282 7.575 1.000 701 HD2 LYS 7 HD2 LYS 7 -17.385 8.693 2.899 702 HD3 LYS 7 HD1 LYS 7 -15.808 8.934 3.645 703 HE2 LYS 7 HE2 LYS 7 -15.090 10.352 1.875 704 HE3 LYS 7 HE1 LYS 7 -16.482 9.923 0.882 705 HZ1 LYS 7 HZ1 LYS 7 -16.702 12.109 1.926 706 HZ2 LYS 7 HZ2 LYS 7 -16.679 11.387 3.472 707 HZ3 LYS 7 HZ3 LYS 7 -17.916 11.042 2.382 708 H ARG 8 HN ARG 8 -17.498 5.565 5.335 709 HA ARG 8 HA ARG 8 -16.435 2.965 6.096 710 HB2 ARG 8 HB2 ARG 8 -17.096 4.385 7.974 711 HB3 ARG 8 HB1 ARG 8 -18.726 4.502 7.321 712 HG2 ARG 8 HG2 ARG 8 -19.024 2.100 7.590 713 HG3 ARG 8 HG1 ARG 8 -17.377 1.981 8.217 714 HD2 ARG 8 HD2 ARG 8 -19.483 3.697 9.451 715 HD3 ARG 8 HD1 ARG 8 -19.228 2.016 9.925 716 HE ARG 8 HE ARG 8 -16.913 2.714 10.457 717 HH11 ARG 8 HH11 ARG 8 -19.545 5.099 10.582 718 HH12 ARG 8 HH12 ARG 8 -18.798 6.062 11.763 719 HH21 ARG 8 HH21 ARG 8 -15.918 4.047 12.153 720 HH22 ARG 8 HH22 ARG 8 -16.725 5.455 12.678 721 H TRP 9 HN TRP 9 -17.266 1.222 5.179 722 HA TRP 9 HA TRP 9 -19.849 1.410 3.783 723 HB2 TRP 9 HB2 TRP 9 -17.845 1.114 2.352 724 HB3 TRP 9 HB1 TRP 9 -17.437 -0.323 3.177 725 HD1 TRP 9 HD1 TRP 9 -21.105 0.055 2.173 726 HE1 TRP 9 HE1 TRP 9 -21.552 -1.556 0.240 727 HE3 TRP 9 HE3 TRP 9 -16.303 -1.602 1.102 728 HZ2 TRP 9 HZ2 TRP 9 -20.264 -3.292 -1.357 729 HZ3 TRP 9 HZ3 TRP 9 -16.079 -3.253 -0.605 730 HH2 TRP 9 HH2 TRP 9 -18.090 -4.063 -1.868 731 H GLY 10 HN GLY 10 -21.199 0.651 5.274 732 HA2 GLY 10 HA2 GLY 10 -22.253 -0.867 6.581 733 HA3 GLY 10 HA1 GLY 10 -21.069 -2.081 6.086 734 H ASN 11 HN ASN 11 -19.951 -2.806 7.723 735 HA ASN 11 HA ASN 11 -19.379 -0.982 9.946 736 HB2 ASN 11 HB2 ASN 11 -18.722 -3.002 11.225 737 HB3 ASN 11 HB1 ASN 11 -20.388 -3.063 10.678 738 HD21 ASN 11 HD21 ASN 11 -21.014 -4.713 9.383 739 HD22 ASN 11 HD22 ASN 11 -19.982 -5.988 8.862 740 H SER 12 HN SER 12 -17.731 -1.029 7.233 741 HA SER 12 HA SER 12 -15.266 -1.458 8.620 742 HB2 SER 12 HB2 SER 12 -14.382 -2.703 6.689 743 HB3 SER 12 HB1 SER 12 -15.655 -3.553 7.535 744 HG SER 12 HG SER 12 -16.550 -1.931 5.505 745 HA PRO 13 HA PRO 13 -14.204 2.299 6.437 746 HB2 PRO 13 HB2 PRO 13 -11.448 1.422 6.699 747 HB3 PRO 13 HB1 PRO 13 -12.232 2.798 7.460 748 HG2 PRO 13 HG2 PRO 13 -11.456 0.403 8.695 749 HG3 PRO 13 HG1 PRO 13 -12.467 1.672 9.400 750 HD2 PRO 13 HD2 PRO 13 -13.244 -0.989 8.505 751 HD3 PRO 13 HD1 PRO 13 -14.191 0.232 9.360 752 H ALA 14 HN ALA 14 -14.237 2.392 4.292 753 HA ALA 14 HA ALA 14 -12.709 0.420 2.809 754 HB1 ALA 14 HB1 ALA 14 -15.515 1.318 2.170 755 HB2 ALA 14 HB2 ALA 14 -15.047 -0.263 2.788 756 HB3 ALA 14 HB3 ALA 14 -14.520 0.245 1.184 757 H VAL 15 HN VAL 15 -11.581 1.223 1.258 758 HA VAL 15 HA VAL 15 -11.775 4.099 0.739 759 HB VAL 15 HB VAL 15 -9.466 2.207 0.148 760 HG11 VAL 15 HG11 VAL 15 -9.589 5.220 0.034 761 HG12 VAL 15 HG12 VAL 15 -9.502 4.127 -1.347 762 HG13 VAL 15 HG13 VAL 15 -8.147 4.238 -0.225 763 HG21 VAL 15 HG21 VAL 15 -8.312 3.304 2.030 764 HG22 VAL 15 HG22 VAL 15 -9.763 2.443 2.549 765 HG23 VAL 15 HG23 VAL 15 -9.792 4.197 2.379 766 H ARG 16 HN ARG 16 -12.159 4.781 -1.311 767 HA ARG 16 HA ARG 16 -13.020 2.821 -3.217 768 HB2 ARG 16 HB2 ARG 16 -12.998 5.808 -3.202 769 HB3 ARG 16 HB1 ARG 16 -13.572 4.881 -4.607 770 HG2 ARG 16 HG2 ARG 16 -15.248 3.890 -3.213 771 HG3 ARG 16 HG1 ARG 16 -14.652 4.783 -1.802 772 HD2 ARG 16 HD2 ARG 16 -16.529 5.819 -2.597 773 HD3 ARG 16 HD1 ARG 16 -15.180 6.847 -3.127 774 HE ARG 16 HE ARG 16 -16.006 4.899 -5.044 775 HH11 ARG 16 HH11 ARG 16 -16.752 8.109 -3.781 776 HH12 ARG 16 HH12 ARG 16 -17.528 8.663 -5.188 777 HH21 ARG 16 HH21 ARG 16 -17.147 5.670 -7.021 778 HH22 ARG 16 HH22 ARG 16 -17.738 7.249 -7.063 779 H ILE 17 HN ILE 17 -11.448 1.839 -4.327 780 HA ILE 17 HA ILE 17 -8.968 3.210 -4.881 781 HB ILE 17 HB ILE 17 -9.824 0.315 -5.020 782 HG12 ILE 17 HG12 ILE 17 -7.594 0.003 -3.807 783 HG13 ILE 17 HG11 ILE 17 -7.589 1.747 -3.624 784 HG21 ILE 17 HG21 ILE 17 -7.740 -0.366 -5.948 785 HG22 ILE 17 HG22 ILE 17 -7.320 1.323 -6.281 786 HG23 ILE 17 HG23 ILE 17 -8.703 0.565 -7.108 787 HD11 ILE 17 HD11 ILE 17 -8.408 0.584 -1.675 788 HD12 ILE 17 HD12 ILE 17 -9.694 -0.113 -2.680 789 HD13 ILE 17 HD13 ILE 17 -9.638 1.636 -2.395 790 HA PRO 18 HA PRO 18 -10.237 4.251 -9.014 791 HB2 PRO 18 HB2 PRO 18 -7.684 4.400 -10.088 792 HB3 PRO 18 HB1 PRO 18 -8.498 5.724 -9.251 793 HG2 PRO 18 HG2 PRO 18 -6.451 3.812 -8.230 794 HG3 PRO 18 HG1 PRO 18 -6.657 5.536 -7.871 795 HD2 PRO 18 HD2 PRO 18 -7.408 3.602 -6.160 796 HD3 PRO 18 HD1 PRO 18 -8.300 5.133 -6.293 797 H ALA 19 HN ALA 19 -10.971 2.842 -10.402 798 HA ALA 19 HA ALA 19 -10.264 0.150 -10.551 799 HB1 ALA 19 HB1 ALA 19 -11.732 0.052 -12.487 800 HB2 ALA 19 HB2 ALA 19 -11.726 1.813 -12.599 801 HB3 ALA 19 HB3 ALA 19 -12.461 1.020 -11.206 802 H THR 20 HN THR 20 -9.048 2.935 -12.199 803 HA THR 20 HA THR 20 -7.755 1.886 -14.397 804 HB THR 20 HB THR 20 -6.618 4.000 -12.568 805 HG1 THR 20 HG1 THR 20 -8.798 4.105 -14.406 806 HG21 THR 20 HG21 THR 20 -6.632 3.697 -15.581 807 HG22 THR 20 HG22 THR 20 -5.265 3.334 -14.529 808 HG23 THR 20 HG23 THR 20 -5.853 4.990 -14.668 809 H LEU 21 HN LEU 21 -6.805 1.822 -10.978 810 HA LEU 21 HA LEU 21 -4.165 0.797 -11.511 811 HB2 LEU 21 HB2 LEU 21 -5.698 1.519 -9.064 812 HB3 LEU 21 HB1 LEU 21 -4.302 0.471 -8.916 813 HG LEU 21 HG LEU 21 -3.958 2.842 -8.474 814 HD11 LEU 21 HD11 LEU 21 -2.078 1.361 -9.047 815 HD12 LEU 21 HD12 LEU 21 -1.791 2.939 -9.784 816 HD13 LEU 21 HD13 LEU 21 -2.391 1.599 -10.764 817 HD21 LEU 21 HD21 LEU 21 -4.338 3.070 -11.428 818 HD22 LEU 21 HD22 LEU 21 -3.615 4.361 -10.450 819 HD23 LEU 21 HD23 LEU 21 -5.303 3.873 -10.190 820 H MET 22 HN MET 22 -7.157 -0.326 -10.409 821 HA MET 22 HA MET 22 -6.598 -3.019 -9.815 822 HB2 MET 22 HB2 MET 22 -8.987 -1.826 -11.214 823 HB3 MET 22 HB1 MET 22 -8.940 -3.482 -10.648 824 HG2 MET 22 HG2 MET 22 -8.580 -1.104 -8.837 825 HG3 MET 22 HG1 MET 22 -10.144 -1.840 -9.190 826 HE1 MET 22 HE1 MET 22 -9.847 -5.371 -7.760 827 HE2 MET 22 HE2 MET 22 -9.452 -4.870 -9.401 828 HE3 MET 22 HE3 MET 22 -10.855 -4.177 -8.588 829 H GLN 23 HN GLN 23 -7.485 -1.600 -12.827 830 HA GLN 23 HA GLN 23 -7.043 -3.748 -14.576 831 HB2 GLN 23 HB2 GLN 23 -6.627 -0.812 -15.003 832 HB3 GLN 23 HB1 GLN 23 -6.715 -2.020 -16.276 833 HG2 GLN 23 HG2 GLN 23 -8.974 -2.487 -15.711 834 HG3 GLN 23 HG1 GLN 23 -8.908 -1.407 -14.325 835 HE21 GLN 23 HE21 GLN 23 -10.642 -1.276 -16.654 836 HE22 GLN 23 HE22 GLN 23 -10.383 0.258 -17.381 837 H ALA 24 HN ALA 24 -4.890 -1.333 -13.227 838 HA ALA 24 HA ALA 24 -2.737 -1.822 -15.044 839 HB1 ALA 24 HB1 ALA 24 -2.984 0.320 -13.853 840 HB2 ALA 24 HB2 ALA 24 -1.385 -0.387 -13.630 841 HB3 ALA 24 HB3 ALA 24 -2.580 -0.494 -12.340 842 H LEU 25 HN LEU 25 -3.498 -3.008 -11.882 843 HA LEU 25 HA LEU 25 -1.042 -4.547 -11.837 844 HB2 LEU 25 HB2 LEU 25 -3.171 -4.080 -9.799 845 HB3 LEU 25 HB1 LEU 25 -1.775 -5.114 -9.529 846 HG LEU 25 HG LEU 25 -1.515 -2.214 -10.302 847 HD11 LEU 25 HD11 LEU 25 -1.546 -3.469 -7.588 848 HD12 LEU 25 HD12 LEU 25 -2.741 -2.357 -8.256 849 HD13 LEU 25 HD13 LEU 25 -1.086 -1.801 -7.951 850 HD21 LEU 25 HD21 LEU 25 0.730 -2.482 -9.389 851 HD22 LEU 25 HD22 LEU 25 0.453 -3.627 -10.700 852 HD23 LEU 25 HD23 LEU 25 0.388 -4.168 -9.018 853 H ASN 26 HN ASN 26 -4.028 -4.883 -13.012 854 HA ASN 26 HA ASN 26 -5.257 -6.478 -13.892 855 HB2 ASN 26 HB2 ASN 26 -2.743 -8.122 -13.676 856 HB3 ASN 26 HB1 ASN 26 -4.203 -8.687 -14.473 857 HD21 ASN 26 HD21 ASN 26 -1.516 -6.500 -14.651 858 HD22 ASN 26 HD22 ASN 26 -1.772 -6.036 -16.293 859 H LEU 27 HN LEU 27 -6.084 -6.112 -11.485 860 HA LEU 27 HA LEU 27 -6.814 -8.790 -10.720 861 HB2 LEU 27 HB2 LEU 27 -7.242 -7.959 -8.538 862 HB3 LEU 27 HB1 LEU 27 -5.525 -7.904 -8.906 863 HG LEU 27 HG LEU 27 -7.193 -5.428 -9.173 864 HD11 LEU 27 HD11 LEU 27 -6.048 -6.535 -6.616 865 HD12 LEU 27 HD12 LEU 27 -7.747 -6.539 -7.092 866 HD13 LEU 27 HD13 LEU 27 -6.923 -4.991 -6.831 867 HD21 LEU 27 HD21 LEU 27 -5.100 -4.390 -8.469 868 HD22 LEU 27 HD22 LEU 27 -4.844 -5.430 -9.869 869 HD23 LEU 27 HD23 LEU 27 -4.365 -5.982 -8.266 870 H ASN 28 HN ASN 28 -9.010 -8.840 -9.838 871 HA ASN 28 HA ASN 28 -10.667 -6.780 -11.119 872 HB2 ASN 28 HB2 ASN 28 -11.159 -9.772 -11.172 873 HB3 ASN 28 HB1 ASN 28 -12.328 -8.580 -11.694 874 HD21 ASN 28 HD21 ASN 28 -10.043 -6.974 -12.957 875 HD22 ASN 28 HD22 ASN 28 -9.703 -7.839 -14.406 876 H ILE 29 HN ILE 29 -13.080 -7.277 -10.318 877 HA ILE 29 HA ILE 29 -13.011 -6.960 -7.494 878 HB ILE 29 HB ILE 29 -15.341 -7.311 -9.423 879 HG12 ILE 29 HG12 ILE 29 -14.125 -5.207 -9.764 880 HG13 ILE 29 HG11 ILE 29 -15.714 -4.907 -9.092 881 HG21 ILE 29 HG21 ILE 29 -16.833 -6.535 -7.658 882 HG22 ILE 29 HG22 ILE 29 -15.488 -6.509 -6.524 883 HG23 ILE 29 HG23 ILE 29 -16.039 -8.045 -7.198 884 HD11 ILE 29 HD11 ILE 29 -13.110 -4.877 -7.593 885 HD12 ILE 29 HD12 ILE 29 -14.708 -4.580 -6.902 886 HD13 ILE 29 HD13 ILE 29 -14.049 -3.479 -8.118 887 H ASP 30 HN ASP 30 -13.699 -8.353 -5.935 888 HA ASP 30 HA ASP 30 -14.090 -10.197 -4.834 889 HB2 ASP 30 HB2 ASP 30 -14.904 -11.332 -7.494 890 HB3 ASP 30 HB1 ASP 30 -14.822 -12.349 -6.058 891 H ASP 31 HN ASP 31 -11.519 -9.481 -6.266 892 HA ASP 31 HA ASP 31 -10.250 -12.083 -6.051 893 HB2 ASP 31 HB2 ASP 31 -9.725 -10.244 -7.903 894 HB3 ASP 31 HB1 ASP 31 -8.760 -9.521 -6.625 895 H GLU 32 HN GLU 32 -8.157 -11.881 -4.819 896 HA GLU 32 HA GLU 32 -8.824 -10.749 -2.200 897 HB2 GLU 32 HB2 GLU 32 -8.969 -13.104 -2.194 898 HB3 GLU 32 HB1 GLU 32 -7.450 -13.302 -3.038 899 HG2 GLU 32 HG2 GLU 32 -6.298 -12.413 -1.101 900 HG3 GLU 32 HG1 GLU 32 -7.848 -12.224 -0.276 901 H VAL 33 HN VAL 33 -7.277 -9.461 -1.184 902 HA VAL 33 HA VAL 33 -4.633 -9.437 -2.421 903 HB VAL 33 HB VAL 33 -4.393 -7.111 -2.563 904 HG11 VAL 33 HG11 VAL 33 -5.949 -7.852 -4.240 905 HG12 VAL 33 HG12 VAL 33 -6.331 -6.196 -3.695 906 HG13 VAL 33 HG13 VAL 33 -7.256 -7.566 -3.079 907 HG21 VAL 33 HG21 VAL 33 -5.838 -5.424 -1.515 908 HG22 VAL 33 HG22 VAL 33 -5.116 -6.496 -0.310 909 HG23 VAL 33 HG23 VAL 33 -6.800 -6.716 -0.796 910 H LYS 34 HN LYS 34 -2.859 -8.717 -1.045 911 HA LYS 34 HA LYS 34 -3.439 -9.266 1.771 912 HB2 LYS 34 HB2 LYS 34 -0.783 -8.887 0.426 913 HB3 LYS 34 HB1 LYS 34 -1.026 -9.340 2.101 914 HG2 LYS 34 HG2 LYS 34 -2.142 -11.427 1.181 915 HG3 LYS 34 HG1 LYS 34 -1.476 -10.940 -0.378 916 HD2 LYS 34 HD2 LYS 34 0.118 -11.516 2.141 917 HD3 LYS 34 HD1 LYS 34 -0.011 -12.565 0.739 918 HE2 LYS 34 HE2 LYS 34 2.102 -11.507 0.576 919 HE3 LYS 34 HE1 LYS 34 1.078 -10.688 -0.596 920 HZ1 LYS 34 HZ1 LYS 34 1.805 -9.593 2.120 921 HZ2 LYS 34 HZ2 LYS 34 0.853 -8.832 0.986 922 HZ3 LYS 34 HZ3 LYS 34 2.447 -9.109 0.640 923 H ILE 35 HN ILE 35 -3.528 -7.710 3.150 924 HA ILE 35 HA ILE 35 -2.237 -5.141 2.563 925 HB ILE 35 HB ILE 35 -4.238 -5.792 4.786 926 HG12 ILE 35 HG12 ILE 35 -5.680 -4.020 3.596 927 HG13 ILE 35 HG11 ILE 35 -4.616 -4.237 2.218 928 HG21 ILE 35 HG21 ILE 35 -2.968 -3.153 4.105 929 HG22 ILE 35 HG22 ILE 35 -2.671 -4.133 5.540 930 HG23 ILE 35 HG23 ILE 35 -4.253 -3.390 5.289 931 HD11 ILE 35 HD11 ILE 35 -6.673 -5.534 1.993 932 HD12 ILE 35 HD12 ILE 35 -6.293 -6.351 3.509 933 HD13 ILE 35 HD13 ILE 35 -5.259 -6.586 2.107 934 H ASP 36 HN ASP 36 -0.209 -5.129 3.292 935 HA ASP 36 HA ASP 36 0.298 -6.438 5.853 936 HB2 ASP 36 HB2 ASP 36 1.878 -6.468 3.349 937 HB3 ASP 36 HB1 ASP 36 2.805 -6.260 4.829 938 H LEU 37 HN LEU 37 1.141 -5.223 7.491 939 HA LEU 37 HA LEU 37 1.572 -2.514 6.887 940 HB2 LEU 37 HB2 LEU 37 0.044 -3.465 8.718 941 HB3 LEU 37 HB1 LEU 37 1.543 -4.013 9.451 942 HG LEU 37 HG LEU 37 0.543 -1.957 10.447 943 HD11 LEU 37 HD11 LEU 37 2.678 -0.798 10.674 944 HD12 LEU 37 HD12 LEU 37 3.277 -1.827 9.333 945 HD13 LEU 37 HD13 LEU 37 2.788 -2.564 10.847 946 HD21 LEU 37 HD21 LEU 37 -0.125 -1.023 8.287 947 HD22 LEU 37 HD22 LEU 37 1.578 -0.615 7.980 948 HD23 LEU 37 HD23 LEU 37 0.714 0.120 9.337 949 H VAL 38 HN VAL 38 3.487 -1.826 6.882 950 HA VAL 38 HA VAL 38 5.776 -3.356 7.929 951 HB VAL 38 HB VAL 38 5.796 -2.369 5.054 952 HG11 VAL 38 HG11 VAL 38 7.985 -2.258 6.081 953 HG12 VAL 38 HG12 VAL 38 7.942 -3.531 4.862 954 HG13 VAL 38 HG13 VAL 38 7.866 -3.948 6.573 955 HG21 VAL 38 HG21 VAL 38 5.679 -5.222 6.061 956 HG22 VAL 38 HG22 VAL 38 5.883 -4.740 4.378 957 HG23 VAL 38 HG23 VAL 38 4.386 -4.361 5.226 958 H ASP 39 HN ASP 39 6.545 -1.833 9.323 959 HA ASP 39 HA ASP 39 7.666 -0.008 10.088 960 HB2 ASP 39 HB2 ASP 39 9.098 -0.427 8.046 961 HB3 ASP 39 HB1 ASP 39 8.103 0.721 7.165 962 H GLY 40 HN GLY 40 4.925 0.037 9.683 963 HA2 GLY 40 HA2 GLY 40 3.201 1.551 10.149 964 HA3 GLY 40 HA1 GLY 40 4.378 2.850 10.031 965 H LYS 41 HN LYS 41 4.459 0.852 7.331 966 HA LYS 41 HA LYS 41 2.940 2.806 5.764 967 HB2 LYS 41 HB2 LYS 41 5.422 2.159 5.362 968 HB3 LYS 41 HB1 LYS 41 4.771 0.664 4.735 969 HG2 LYS 41 HG2 LYS 41 5.120 2.015 2.845 970 HG3 LYS 41 HG1 LYS 41 3.381 2.069 3.150 971 HD2 LYS 41 HD2 LYS 41 4.063 4.284 2.688 972 HD3 LYS 41 HD1 LYS 41 3.792 4.192 4.437 973 HE2 LYS 41 HE2 LYS 41 6.287 3.858 4.699 974 HE3 LYS 41 HE1 LYS 41 6.428 4.142 2.973 975 HZ1 LYS 41 HZ1 LYS 41 6.878 6.156 4.185 976 HZ2 LYS 41 HZ2 LYS 41 5.414 6.062 4.983 977 HZ3 LYS 41 HZ3 LYS 41 5.435 6.370 3.336 978 H LEU 42 HN LEU 42 1.222 2.045 4.499 979 HA LEU 42 HA LEU 42 0.431 -0.690 4.989 980 HB2 LEU 42 HB2 LEU 42 -1.004 1.675 3.838 981 HB3 LEU 42 HB1 LEU 42 -1.644 0.050 3.686 982 HG LEU 42 HG LEU 42 -0.926 1.258 6.296 983 HD11 LEU 42 HD11 LEU 42 -3.389 1.724 6.551 984 HD12 LEU 42 HD12 LEU 42 -3.635 1.201 4.886 985 HD13 LEU 42 HD13 LEU 42 -2.689 2.651 5.227 986 HD21 LEU 42 HD21 LEU 42 -2.687 -1.065 5.533 987 HD22 LEU 42 HD22 LEU 42 -2.501 -0.444 7.169 988 HD23 LEU 42 HD23 LEU 42 -1.115 -1.144 6.332 989 H ILE 43 HN ILE 43 1.285 -2.001 3.837 990 HA ILE 43 HA ILE 43 1.956 -1.413 1.049 991 HB ILE 43 HB ILE 43 2.736 -3.774 2.730 992 HG12 ILE 43 HG12 ILE 43 3.613 -1.691 3.618 993 HG13 ILE 43 HG11 ILE 43 4.920 -2.731 3.028 994 HG21 ILE 43 HG21 ILE 43 3.812 -2.817 0.072 995 HG22 ILE 43 HG22 ILE 43 2.806 -4.237 0.346 996 HG23 ILE 43 HG23 ILE 43 4.445 -4.184 0.992 997 HD11 ILE 43 HD11 ILE 43 3.759 -0.290 1.680 998 HD12 ILE 43 HD12 ILE 43 5.026 -1.307 1.000 999 HD13 ILE 43 HD13 ILE 43 5.323 -0.394 2.481 1000 H ILE 44 HN ILE 44 0.385 -1.823 -0.113 1001 HA ILE 44 HA ILE 44 -1.206 -4.221 0.352 1002 HB ILE 44 HB ILE 44 -1.924 -1.700 -1.182 1003 HG12 ILE 44 HG12 ILE 44 -4.023 -1.834 0.192 1004 HG13 ILE 44 HG11 ILE 44 -3.359 -3.248 0.988 1005 HG21 ILE 44 HG21 ILE 44 -3.418 -4.319 -1.346 1006 HG22 ILE 44 HG22 ILE 44 -2.517 -3.548 -2.650 1007 HG23 ILE 44 HG23 ILE 44 -3.967 -2.774 -2.006 1008 HD11 ILE 44 HD11 ILE 44 -3.176 -1.272 2.372 1009 HD12 ILE 44 HD12 ILE 44 -2.239 -0.455 1.125 1010 HD13 ILE 44 HD13 ILE 44 -1.580 -1.876 1.933 1011 H GLU 45 HN GLU 45 -1.031 -5.861 -0.845 1012 HA GLU 45 HA GLU 45 0.353 -5.662 -3.426 1013 HB2 GLU 45 HB2 GLU 45 0.793 -7.789 -1.286 1014 HB3 GLU 45 HB1 GLU 45 1.459 -7.847 -2.904 1015 HG2 GLU 45 HG2 GLU 45 2.791 -5.875 -2.423 1016 HG3 GLU 45 HG1 GLU 45 2.181 -5.804 -0.776 1017 HA PRO 46 HA PRO 46 -3.168 -8.065 -4.222 1018 HB2 PRO 46 HB2 PRO 46 -2.408 -8.990 -6.760 1019 HB3 PRO 46 HB1 PRO 46 -3.282 -7.499 -6.406 1020 HG2 PRO 46 HG2 PRO 46 -0.742 -7.771 -7.419 1021 HG3 PRO 46 HG1 PRO 46 -1.472 -6.258 -6.815 1022 HD2 PRO 46 HD2 PRO 46 0.405 -8.162 -5.462 1023 HD3 PRO 46 HD1 PRO 46 0.345 -6.424 -5.205 1024 H VAL 47 HN VAL 47 -3.695 -10.323 -4.874 1025 HA VAL 47 HA VAL 47 -1.451 -12.082 -4.201 1026 HB VAL 47 HB VAL 47 -4.359 -12.909 -3.955 1027 HG11 VAL 47 HG11 VAL 47 -3.442 -14.730 -2.636 1028 HG12 VAL 47 HG12 VAL 47 -1.852 -13.990 -2.794 1029 HG13 VAL 47 HG13 VAL 47 -2.644 -14.679 -4.236 1030 HG21 VAL 47 HG21 VAL 47 -2.505 -11.912 -1.823 1031 HG22 VAL 47 HG22 VAL 47 -3.992 -12.784 -1.491 1032 HG23 VAL 47 HG23 VAL 47 -4.063 -11.217 -2.309 1033 H ARG 48 HN ARG 48 -0.674 -12.813 -5.912 1034 HA ARG 48 HA ARG 48 -2.255 -12.733 -8.289 1035 HB2 ARG 48 HB2 ARG 48 0.642 -13.418 -7.896 1036 HB3 ARG 48 HB1 ARG 48 -0.166 -13.347 -9.452 1037 HG2 ARG 48 HG2 ARG 48 -0.690 -10.965 -9.025 1038 HG3 ARG 48 HG1 ARG 48 0.253 -11.067 -7.535 1039 HD2 ARG 48 HD2 ARG 48 2.220 -11.684 -8.796 1040 HD3 ARG 48 HD1 ARG 48 1.270 -11.678 -10.281 1041 HE ARG 48 HE ARG 48 1.508 -9.207 -8.717 1042 HH11 ARG 48 HH11 ARG 48 2.276 -11.003 -11.678 1043 HH12 ARG 48 HH12 ARG 48 2.865 -9.651 -12.510 1044 HH21 ARG 48 HH21 ARG 48 2.307 -7.356 -9.858 1045 HH22 ARG 48 HH22 ARG 48 2.844 -7.482 -11.468 1046 H LYS 49 HN LYS 49 -3.211 -14.286 -9.164 1047 HA LYS 49 HA LYS 49 -2.864 -16.954 -8.120 1048 HB2 LYS 49 HB2 LYS 49 -4.907 -15.640 -9.922 1049 HB3 LYS 49 HB1 LYS 49 -4.786 -17.387 -9.845 1050 HG2 LYS 49 HG2 LYS 49 -6.585 -16.413 -8.404 1051 HG3 LYS 49 HG1 LYS 49 -5.430 -17.411 -7.532 1052 HD2 LYS 49 HD2 LYS 49 -4.315 -15.419 -6.696 1053 HD3 LYS 49 HD1 LYS 49 -5.388 -14.396 -7.638 1054 HE2 LYS 49 HE2 LYS 49 -6.367 -16.308 -5.519 1055 HE3 LYS 49 HE1 LYS 49 -5.929 -14.638 -5.163 1056 HZ1 LYS 49 HZ1 LYS 49 -7.637 -13.857 -6.555 1057 HZ2 LYS 49 HZ2 LYS 49 -8.334 -14.996 -5.538 1058 HZ3 LYS 49 HZ3 LYS 49 -8.019 -15.386 -7.153 1059 H GLU 50 HN GLU 50 -1.067 -17.627 -8.852 1060 HA GLU 50 HA GLU 50 -0.632 -17.826 -11.725 1061 HB2 GLU 50 HB2 GLU 50 0.465 -15.750 -10.777 1062 HB3 GLU 50 HB1 GLU 50 1.431 -16.807 -9.767 1063 HG2 GLU 50 HG2 GLU 50 2.438 -17.797 -11.741 1064 HG3 GLU 50 HG1 GLU 50 1.443 -16.767 -12.769 Start of MODEL 16 1 H1 ASN -16 HT1 ASN -16 -2.860 -12.646 8.035 2 H2 ASN -16 HT2 ASN -16 -2.724 -12.686 9.687 3 H3 ASN -16 HT3 ASN -16 -4.245 -12.931 8.977 4 HA ASN -16 HA ASN -16 -3.369 -14.978 7.953 5 HB2 ASN -16 HB2 ASN -16 -0.997 -14.338 7.934 6 HB3 ASN -16 HB1 ASN -16 -0.979 -14.340 9.691 7 HD21 ASN -16 HD21 ASN -16 0.593 -15.901 9.848 8 HD22 ASN -16 HD22 ASN -16 0.367 -17.553 9.426 9 H HIS -15 HN HIS -15 -4.396 -16.580 8.834 10 HA HIS -15 HA HIS -15 -5.460 -17.953 10.256 11 HB2 HIS -15 HB2 HIS -15 -3.091 -18.387 11.007 12 HB3 HIS -15 HB1 HIS -15 -3.335 -17.215 12.291 13 HD1 HIS -15 HD1 HIS -15 -4.691 -18.045 14.402 14 HD2 HIS -15 HD2 HIS -15 -4.466 -20.807 11.296 15 HE1 HIS -15 HE1 HIS -15 -5.474 -20.225 15.343 16 H LYS -14 HN LYS -14 -7.350 -16.927 10.455 17 HA LYS -14 HA LYS -14 -7.756 -15.392 12.919 18 HB2 LYS -14 HB2 LYS -14 -7.690 -13.956 10.844 19 HB3 LYS -14 HB1 LYS -14 -9.046 -14.873 10.228 20 HG2 LYS -14 HG2 LYS -14 -10.455 -14.046 12.024 21 HG3 LYS -14 HG1 LYS -14 -9.083 -13.168 12.711 22 HD2 LYS -14 HD2 LYS -14 -8.866 -11.936 10.563 23 HD3 LYS -14 HD1 LYS -14 -10.334 -12.726 10.002 24 HE2 LYS -14 HE2 LYS -14 -11.593 -11.704 11.829 25 HE3 LYS -14 HE1 LYS -14 -10.118 -10.942 12.420 26 HZ1 LYS -14 HZ1 LYS -14 -11.469 -10.398 9.819 27 HZ2 LYS -14 HZ2 LYS -14 -9.975 -9.791 10.246 28 HZ3 LYS -14 HZ3 LYS -14 -11.336 -9.347 11.131 29 H VAL -13 HN VAL -13 -8.541 -17.206 13.969 30 HA VAL -13 HA VAL -13 -10.718 -18.669 12.680 31 HB VAL -13 HB VAL -13 -10.427 -20.378 14.425 32 HG11 VAL -13 HG11 VAL -13 -9.202 -20.587 12.333 33 HG12 VAL -13 HG12 VAL -13 -8.245 -21.208 13.679 34 HG13 VAL -13 HG13 VAL -13 -7.882 -19.623 12.998 35 HG21 VAL -13 HG21 VAL -13 -8.493 -20.279 15.935 36 HG22 VAL -13 HG22 VAL -13 -9.621 -18.957 16.244 37 HG23 VAL -13 HG23 VAL -13 -8.132 -18.654 15.350 38 H HIS -12 HN HIS -12 -10.437 -16.164 14.744 39 HA HIS -12 HA HIS -12 -11.842 -15.031 16.107 40 HB2 HIS -12 HB2 HIS -12 -13.928 -16.790 14.807 41 HB3 HIS -12 HB1 HIS -12 -14.307 -15.428 15.858 42 HD1 HIS -12 HD1 HIS -12 -14.020 -16.167 12.385 43 HD2 HIS -12 HD2 HIS -12 -12.891 -12.984 14.796 44 HE1 HIS -12 HE1 HIS -12 -13.767 -14.181 10.849 45 H HIS -11 HN HIS -11 -13.902 -15.515 17.734 46 HA HIS -11 HA HIS -11 -14.557 -16.299 19.713 47 HB2 HIS -11 HB2 HIS -11 -14.722 -18.560 18.692 48 HB3 HIS -11 HB1 HIS -11 -13.025 -18.844 19.055 49 HD1 HIS -11 HD1 HIS -11 -13.023 -20.583 20.888 50 HD2 HIS -11 HD2 HIS -11 -15.927 -17.678 21.477 51 HE1 HIS -11 HE1 HIS -11 -14.084 -21.106 23.103 52 H HIS -10 HN HIS -10 -11.185 -17.161 19.269 53 HA HIS -10 HA HIS -10 -10.623 -15.820 21.840 54 HB2 HIS -10 HB2 HIS -10 -8.994 -17.943 20.411 55 HB3 HIS -10 HB1 HIS -10 -8.508 -17.117 21.884 56 HD1 HIS -10 HD1 HIS -10 -10.355 -17.566 23.986 57 HD2 HIS -10 HD2 HIS -10 -10.211 -20.269 20.824 58 HE1 HIS -10 HE1 HIS -10 -11.424 -19.668 24.814 59 H HIS -9 HN HIS -9 -11.025 -14.707 19.223 60 HA HIS -9 HA HIS -9 -8.435 -13.921 18.215 61 HB2 HIS -9 HB2 HIS -9 -10.265 -14.282 16.704 62 HB3 HIS -9 HB1 HIS -9 -11.239 -13.017 17.461 63 HD1 HIS -9 HD1 HIS -9 -10.714 -10.589 16.643 64 HD2 HIS -9 HD2 HIS -9 -8.238 -13.520 15.059 65 HE1 HIS -9 HE1 HIS -9 -9.461 -9.505 14.738 66 H HIS -8 HN HIS -8 -7.413 -12.774 19.696 67 HA HIS -8 HA HIS -8 -8.718 -10.365 20.789 68 HB2 HIS -8 HB2 HIS -8 -6.426 -11.965 21.956 69 HB3 HIS -8 HB1 HIS -8 -7.148 -10.530 22.664 70 HD1 HIS -8 HD1 HIS -8 -7.317 -14.139 22.816 71 HD2 HIS -8 HD2 HIS -8 -9.998 -11.005 23.291 72 HE1 HIS -8 HE1 HIS -8 -9.235 -15.064 24.129 73 H HIS -7 HN HIS -7 -5.698 -11.770 19.640 74 HA HIS -7 HA HIS -7 -4.806 -9.115 18.858 75 HB2 HIS -7 HB2 HIS -7 -3.789 -9.585 21.011 76 HB3 HIS -7 HB1 HIS -7 -3.268 -11.166 20.466 77 HD1 HIS -7 HD1 HIS -7 -2.544 -7.485 19.664 78 HD2 HIS -7 HD2 HIS -7 -0.744 -11.222 19.625 79 HE1 HIS -7 HE1 HIS -7 -0.113 -7.094 19.125 80 H MET -6 HN MET -6 -4.363 -9.129 16.776 81 HA MET -6 HA MET -6 -4.097 -11.595 15.297 82 HB2 MET -6 HB2 MET -6 -3.900 -8.720 14.389 83 HB3 MET -6 HB1 MET -6 -3.901 -10.101 13.314 84 HG2 MET -6 HG2 MET -6 -6.168 -10.663 14.096 85 HG3 MET -6 HG1 MET -6 -6.149 -9.219 15.105 86 HE1 MET -6 HE1 MET -6 -5.887 -6.769 14.133 87 HE2 MET -6 HE2 MET -6 -6.035 -6.348 12.438 88 HE3 MET -6 HE3 MET -6 -4.568 -7.131 13.015 89 H SER -5 HN SER -5 -2.006 -9.655 16.979 90 HA SER -5 HA SER -5 0.184 -9.325 17.109 91 HB2 SER -5 HB2 SER -5 0.246 -11.890 16.795 92 HB3 SER -5 HB1 SER -5 0.556 -11.589 15.090 93 HG SER -5 HG SER -5 2.464 -11.872 15.999 94 H ASP -4 HN ASP -4 -0.550 -7.436 16.162 95 HA ASP -4 HA ASP -4 -0.959 -6.888 13.467 96 HB2 ASP -4 HB2 ASP -4 -0.206 -4.901 15.610 97 HB3 ASP -4 HB1 ASP -4 -1.093 -4.581 14.132 98 H ASP -3 HN ASP -3 1.938 -7.116 15.145 99 HA ASP -3 HA ASP -3 3.410 -5.543 13.128 100 HB2 ASP -3 HB2 ASP -3 4.287 -6.570 15.825 101 HB3 ASP -3 HB1 ASP -3 5.327 -5.719 14.697 102 H ASP -2 HN ASP -2 2.739 -8.757 14.046 103 HA ASP -2 HA ASP -2 5.183 -9.702 12.685 104 HB2 ASP -2 HB2 ASP -2 5.101 -10.158 15.135 105 HB3 ASP -2 HB1 ASP -2 3.657 -11.116 14.873 106 H ASP -1 HN ASP -1 1.911 -9.457 12.311 107 HA ASP -1 HA ASP -1 1.226 -12.014 11.379 108 HB2 ASP -1 HB2 ASP -1 -0.454 -10.240 12.003 109 HB3 ASP -1 HB1 ASP -1 -0.084 -9.431 10.481 110 H LYS 0 HN LYS 0 1.225 -12.932 9.431 111 HA LYS 0 HA LYS 0 3.275 -11.945 7.641 112 HB2 LYS 0 HB2 LYS 0 1.812 -14.569 7.662 113 HB3 LYS 0 HB1 LYS 0 3.174 -14.157 6.621 114 HG2 LYS 0 HG2 LYS 0 4.558 -13.803 8.595 115 HG3 LYS 0 HG1 LYS 0 3.212 -14.265 9.623 116 HD2 LYS 0 HD2 LYS 0 4.700 -16.151 9.368 117 HD3 LYS 0 HD1 LYS 0 3.177 -16.484 8.552 118 HE2 LYS 0 HE2 LYS 0 4.181 -15.951 6.401 119 HE3 LYS 0 HE1 LYS 0 5.693 -15.507 7.199 120 HZ1 LYS 0 HZ1 LYS 0 4.464 -18.209 7.164 121 HZ2 LYS 0 HZ2 LYS 0 5.875 -17.792 7.961 122 HZ3 LYS 0 HZ3 LYS 0 5.823 -17.733 6.287 123 H GLY 1 HN GLY 1 0.119 -11.312 7.713 124 HA2 GLY 1 HA2 GLY 1 -0.194 -9.877 5.584 125 HA3 GLY 1 HA1 GLY 1 -0.180 -11.457 4.812 126 H ILE 2 HN ILE 2 -2.110 -9.117 5.977 127 HA ILE 2 HA ILE 2 -4.212 -10.879 6.879 128 HB ILE 2 HB ILE 2 -4.240 -7.871 6.414 129 HG12 ILE 2 HG12 ILE 2 -4.011 -9.437 9.002 130 HG13 ILE 2 HG11 ILE 2 -2.697 -8.574 8.222 131 HG21 ILE 2 HG21 ILE 2 -6.334 -7.884 7.729 132 HG22 ILE 2 HG22 ILE 2 -6.266 -9.644 7.805 133 HG23 ILE 2 HG23 ILE 2 -6.481 -8.836 6.251 134 HD11 ILE 2 HD11 ILE 2 -3.595 -7.320 10.097 135 HD12 ILE 2 HD12 ILE 2 -5.198 -7.335 9.358 136 HD13 ILE 2 HD13 ILE 2 -3.879 -6.460 8.583 137 H HIS 3 HN HIS 3 -5.251 -11.954 5.364 138 HA HIS 3 HA HIS 3 -5.292 -10.911 2.666 139 HB2 HIS 3 HB2 HIS 3 -6.029 -13.603 3.801 140 HB3 HIS 3 HB1 HIS 3 -6.475 -13.149 2.161 141 HD1 HIS 3 HD1 HIS 3 -4.883 -14.406 0.650 142 HD2 HIS 3 HD2 HIS 3 -2.963 -12.783 3.975 143 HE1 HIS 3 HE1 HIS 3 -2.442 -14.888 0.362 144 H SER 4 HN SER 4 -6.925 -10.171 1.631 145 HA SER 4 HA SER 4 -9.626 -10.406 2.601 146 HB2 SER 4 HB2 SER 4 -8.013 -7.927 2.476 147 HB3 SER 4 HB1 SER 4 -9.757 -7.799 2.268 148 HG SER 4 HG SER 4 -8.586 -9.255 4.366 149 H SER 5 HN SER 5 -10.664 -8.448 0.782 150 HA SER 5 HA SER 5 -9.540 -9.122 -1.751 151 HB2 SER 5 HB2 SER 5 -11.803 -10.000 -2.534 152 HB3 SER 5 HB1 SER 5 -10.876 -11.082 -1.492 153 HG SER 5 HG SER 5 -12.144 -10.610 0.169 154 H VAL 6 HN VAL 6 -10.600 -7.970 -3.443 155 HA VAL 6 HA VAL 6 -11.529 -5.353 -2.566 156 HB VAL 6 HB VAL 6 -11.112 -6.372 -5.381 157 HG11 VAL 6 HG11 VAL 6 -10.893 -4.014 -5.956 158 HG12 VAL 6 HG12 VAL 6 -11.232 -3.567 -4.282 159 HG13 VAL 6 HG13 VAL 6 -12.468 -4.371 -5.253 160 HG21 VAL 6 HG21 VAL 6 -8.929 -5.236 -5.274 161 HG22 VAL 6 HG22 VAL 6 -9.104 -6.637 -4.204 162 HG23 VAL 6 HG23 VAL 6 -9.223 -4.998 -3.536 163 H LYS 7 HN LYS 7 -13.645 -4.943 -2.485 164 HA LYS 7 HA LYS 7 -15.390 -6.745 -3.994 165 HB2 LYS 7 HB2 LYS 7 -15.910 -5.217 -1.438 166 HB3 LYS 7 HB1 LYS 7 -17.112 -6.217 -2.303 167 HG2 LYS 7 HG2 LYS 7 -14.563 -7.203 -1.050 168 HG3 LYS 7 HG1 LYS 7 -16.144 -7.239 -0.279 169 HD2 LYS 7 HD2 LYS 7 -16.955 -8.627 -2.187 170 HD3 LYS 7 HD1 LYS 7 -15.297 -8.699 -2.781 171 HE2 LYS 7 HE2 LYS 7 -14.549 -9.738 -0.727 172 HE3 LYS 7 HE1 LYS 7 -16.161 -9.596 -0.035 173 HZ1 LYS 7 HZ1 LYS 7 -16.958 -11.155 -1.726 174 HZ2 LYS 7 HZ2 LYS 7 -15.755 -11.812 -0.781 175 HZ3 LYS 7 HZ3 LYS 7 -15.407 -11.350 -2.348 176 H ARG 8 HN ARG 8 -17.606 -5.421 -4.355 177 HA ARG 8 HA ARG 8 -16.753 -2.938 -5.726 178 HB2 ARG 8 HB2 ARG 8 -17.832 -4.992 -6.946 179 HB3 ARG 8 HB1 ARG 8 -19.304 -4.295 -6.264 180 HG2 ARG 8 HG2 ARG 8 -18.834 -2.188 -7.347 181 HG3 ARG 8 HG1 ARG 8 -17.380 -2.887 -8.069 182 HD2 ARG 8 HD2 ARG 8 -20.129 -3.872 -8.338 183 HD3 ARG 8 HD1 ARG 8 -19.341 -2.911 -9.606 184 HE ARG 8 HE ARG 8 -18.714 -5.705 -8.804 185 HH11 ARG 8 HH11 ARG 8 -18.375 -3.110 -11.198 186 HH12 ARG 8 HH12 ARG 8 -17.672 -4.105 -12.370 187 HH21 ARG 8 HH21 ARG 8 -17.845 -7.067 -10.435 188 HH22 ARG 8 HH22 ARG 8 -17.377 -6.422 -11.950 189 H TRP 9 HN TRP 9 -17.389 -1.131 -4.754 190 HA TRP 9 HA TRP 9 -19.897 -1.143 -3.201 191 HB2 TRP 9 HB2 TRP 9 -17.732 -0.710 -1.959 192 HB3 TRP 9 HB1 TRP 9 -17.495 0.670 -2.963 193 HD1 TRP 9 HD1 TRP 9 -21.065 0.420 -1.784 194 HE1 TRP 9 HE1 TRP 9 -21.421 2.083 0.103 195 HE3 TRP 9 HE3 TRP 9 -16.187 1.860 -0.804 196 HZ2 TRP 9 HZ2 TRP 9 -20.034 3.791 1.669 197 HZ3 TRP 9 HZ3 TRP 9 -15.856 3.519 0.855 198 HH2 TRP 9 HH2 TRP 9 -17.794 4.463 2.141 199 H GLY 10 HN GLY 10 -21.308 -0.544 -4.769 200 HA2 GLY 10 HA2 GLY 10 -22.336 0.816 -6.264 201 HA3 GLY 10 HA1 GLY 10 -21.146 2.070 -5.885 202 H ASN 11 HN ASN 11 -20.260 2.645 -7.735 203 HA ASN 11 HA ASN 11 -19.541 0.595 -9.684 204 HB2 ASN 11 HB2 ASN 11 -20.757 2.678 -10.391 205 HB3 ASN 11 HB1 ASN 11 -19.386 3.622 -9.845 206 HD21 ASN 11 HD21 ASN 11 -20.567 1.422 -12.265 207 HD22 ASN 11 HD22 ASN 11 -19.359 1.746 -13.447 208 H SER 12 HN SER 12 -17.992 1.070 -6.938 209 HA SER 12 HA SER 12 -15.504 1.592 -8.234 210 HB2 SER 12 HB2 SER 12 -14.728 2.856 -6.282 211 HB3 SER 12 HB1 SER 12 -15.991 3.691 -7.136 212 HG SER 12 HG SER 12 -17.241 2.238 -5.295 213 HA PRO 13 HA PRO 13 -14.357 -2.136 -6.090 214 HB2 PRO 13 HB2 PRO 13 -11.613 -1.317 -6.479 215 HB3 PRO 13 HB1 PRO 13 -12.474 -2.637 -7.259 216 HG2 PRO 13 HG2 PRO 13 -11.683 -0.187 -8.413 217 HG3 PRO 13 HG1 PRO 13 -12.690 -1.441 -9.147 218 HD2 PRO 13 HD2 PRO 13 -13.487 1.178 -8.177 219 HD3 PRO 13 HD1 PRO 13 -14.433 -0.045 -9.032 220 H ALA 14 HN ALA 14 -14.232 -2.229 -3.930 221 HA ALA 14 HA ALA 14 -12.619 -0.249 -2.541 222 HB1 ALA 14 HB1 ALA 14 -14.392 0.076 -0.873 223 HB2 ALA 14 HB2 ALA 14 -15.475 -0.931 -1.843 224 HB3 ALA 14 HB3 ALA 14 -14.887 0.594 -2.481 225 H VAL 15 HN VAL 15 -11.581 -1.009 -0.835 226 HA VAL 15 HA VAL 15 -11.867 -3.872 -0.241 227 HB VAL 15 HB VAL 15 -9.529 -2.040 0.410 228 HG11 VAL 15 HG11 VAL 15 -8.276 -4.106 0.851 229 HG12 VAL 15 HG12 VAL 15 -9.737 -5.049 0.552 230 HG13 VAL 15 HG13 VAL 15 -9.671 -3.935 1.917 231 HG21 VAL 15 HG21 VAL 15 -8.329 -3.291 -1.407 232 HG22 VAL 15 HG22 VAL 15 -9.612 -2.227 -1.963 233 HG23 VAL 15 HG23 VAL 15 -9.893 -3.962 -1.879 234 H ARG 16 HN ARG 16 -12.288 -4.502 1.810 235 HA ARG 16 HA ARG 16 -13.258 -2.510 3.638 236 HB2 ARG 16 HB2 ARG 16 -13.183 -5.506 3.749 237 HB3 ARG 16 HB1 ARG 16 -13.863 -4.521 5.058 238 HG2 ARG 16 HG2 ARG 16 -15.457 -3.632 3.499 239 HG3 ARG 16 HG1 ARG 16 -14.790 -4.608 2.193 240 HD2 ARG 16 HD2 ARG 16 -16.650 -5.651 2.929 241 HD3 ARG 16 HD1 ARG 16 -15.345 -6.563 3.721 242 HE ARG 16 HE ARG 16 -16.476 -4.375 5.212 243 HH11 ARG 16 HH11 ARG 16 -16.578 -7.892 4.678 244 HH12 ARG 16 HH12 ARG 16 -17.474 -8.220 6.091 245 HH21 ARG 16 HH21 ARG 16 -17.701 -4.815 7.114 246 HH22 ARG 16 HH22 ARG 16 -18.147 -6.407 7.512 247 H ILE 17 HN ILE 17 -11.682 -1.473 4.808 248 HA ILE 17 HA ILE 17 -9.278 -2.914 5.522 249 HB ILE 17 HB ILE 17 -10.009 0.026 5.622 250 HG12 ILE 17 HG12 ILE 17 -7.723 0.214 4.452 251 HG13 ILE 17 HG11 ILE 17 -7.849 -1.524 4.227 252 HG21 ILE 17 HG21 ILE 17 -8.940 -0.320 7.726 253 HG22 ILE 17 HG22 ILE 17 -7.908 0.586 6.600 254 HG23 ILE 17 HG23 ILE 17 -7.578 -1.125 6.916 255 HD11 ILE 17 HD11 ILE 17 -9.862 -1.209 2.948 256 HD12 ILE 17 HD12 ILE 17 -8.529 -0.228 2.301 257 HD13 ILE 17 HD13 ILE 17 -9.780 0.522 3.309 258 HA PRO 18 HA PRO 18 -10.864 -3.957 9.534 259 HB2 PRO 18 HB2 PRO 18 -8.381 -4.230 10.775 260 HB3 PRO 18 HB1 PRO 18 -9.219 -5.503 9.888 261 HG2 PRO 18 HG2 PRO 18 -7.006 -3.722 8.995 262 HG3 PRO 18 HG1 PRO 18 -7.314 -5.419 8.596 263 HD2 PRO 18 HD2 PRO 18 -7.824 -3.410 6.886 264 HD3 PRO 18 HD1 PRO 18 -8.819 -4.877 6.930 265 H ALA 19 HN ALA 19 -11.491 -2.740 11.168 266 HA ALA 19 HA ALA 19 -10.844 -0.007 11.324 267 HB1 ALA 19 HB1 ALA 19 -13.043 -0.937 11.942 268 HB2 ALA 19 HB2 ALA 19 -12.348 0.051 13.219 269 HB3 ALA 19 HB3 ALA 19 -12.303 -1.711 13.347 270 H THR 20 HN THR 20 -9.705 -2.848 13.002 271 HA THR 20 HA THR 20 -8.317 -1.802 15.122 272 HB THR 20 HB THR 20 -7.309 -3.998 13.295 273 HG1 THR 20 HG1 THR 20 -8.690 -5.083 15.205 274 HG21 THR 20 HG21 THR 20 -6.349 -4.916 15.298 275 HG22 THR 20 HG22 THR 20 -7.166 -3.722 16.296 276 HG23 THR 20 HG23 THR 20 -5.873 -3.216 15.208 277 H LEU 21 HN LEU 21 -7.404 -1.978 11.696 278 HA LEU 21 HA LEU 21 -4.734 -1.010 12.099 279 HB2 LEU 21 HB2 LEU 21 -6.377 -1.710 9.726 280 HB3 LEU 21 HB1 LEU 21 -4.966 -0.700 9.500 281 HG LEU 21 HG LEU 21 -4.706 -3.102 9.092 282 HD11 LEU 21 HD11 LEU 21 -2.763 -1.636 9.517 283 HD12 LEU 21 HD12 LEU 21 -2.466 -3.216 10.242 284 HD13 LEU 21 HD13 LEU 21 -2.960 -1.857 11.255 285 HD21 LEU 21 HD21 LEU 21 -4.904 -3.246 12.076 286 HD22 LEU 21 HD22 LEU 21 -4.287 -4.575 11.079 287 HD23 LEU 21 HD23 LEU 21 -5.970 -4.043 10.920 288 H MET 22 HN MET 22 -7.693 0.260 11.039 289 HA MET 22 HA MET 22 -7.020 2.922 10.440 290 HB2 MET 22 HB2 MET 22 -9.401 1.839 11.927 291 HB3 MET 22 HB1 MET 22 -9.293 3.501 11.390 292 HG2 MET 22 HG2 MET 22 -9.121 1.137 9.526 293 HG3 MET 22 HG1 MET 22 -10.627 1.963 9.937 294 HE1 MET 22 HE1 MET 22 -9.772 4.917 10.179 295 HE2 MET 22 HE2 MET 22 -11.225 4.341 9.372 296 HE3 MET 22 HE3 MET 22 -10.156 5.488 8.552 297 H GLN 23 HN GLN 23 -7.761 1.552 13.522 298 HA GLN 23 HA GLN 23 -7.030 3.832 15.065 299 HB2 GLN 23 HB2 GLN 23 -7.123 0.952 15.911 300 HB3 GLN 23 HB1 GLN 23 -7.086 2.353 16.975 301 HG2 GLN 23 HG2 GLN 23 -9.166 3.106 15.986 302 HG3 GLN 23 HG1 GLN 23 -9.242 1.643 15.024 303 HE21 GLN 23 HE21 GLN 23 -11.110 0.966 15.935 304 HE22 GLN 23 HE22 GLN 23 -11.217 0.308 17.528 305 H ALA 24 HN ALA 24 -5.241 1.184 13.747 306 HA ALA 24 HA ALA 24 -2.980 1.466 15.518 307 HB1 ALA 24 HB1 ALA 24 -1.869 -0.180 14.140 308 HB2 ALA 24 HB2 ALA 24 -3.073 0.032 12.873 309 HB3 ALA 24 HB3 ALA 24 -3.539 -0.682 14.420 310 H LEU 25 HN LEU 25 -3.900 2.757 12.472 311 HA LEU 25 HA LEU 25 -1.274 3.984 12.055 312 HB2 LEU 25 HB2 LEU 25 -3.727 3.919 10.341 313 HB3 LEU 25 HB1 LEU 25 -2.169 4.577 9.873 314 HG LEU 25 HG LEU 25 -2.669 1.687 10.570 315 HD11 LEU 25 HD11 LEU 25 -2.450 1.308 8.185 316 HD12 LEU 25 HD12 LEU 25 -2.366 3.062 7.943 317 HD13 LEU 25 HD13 LEU 25 -3.839 2.329 8.580 318 HD21 LEU 25 HD21 LEU 25 -0.473 1.353 9.562 319 HD22 LEU 25 HD22 LEU 25 -0.376 2.398 10.979 320 HD23 LEU 25 HD23 LEU 25 -0.307 3.090 9.351 321 H ASN 26 HN ASN 26 -4.215 4.546 13.387 322 HA ASN 26 HA ASN 26 -5.378 6.171 14.235 323 HB2 ASN 26 HB2 ASN 26 -3.285 6.649 15.479 324 HB3 ASN 26 HB1 ASN 26 -2.843 7.820 14.243 325 HD21 ASN 26 HD21 ASN 26 -3.807 9.818 14.259 326 HD22 ASN 26 HD22 ASN 26 -4.830 10.376 15.538 327 H LEU 27 HN LEU 27 -6.396 6.047 12.103 328 HA LEU 27 HA LEU 27 -6.809 8.758 11.252 329 HB2 LEU 27 HB2 LEU 27 -7.371 7.933 9.110 330 HB3 LEU 27 HB1 LEU 27 -5.656 7.664 9.431 331 HG LEU 27 HG LEU 27 -7.694 5.473 9.734 332 HD11 LEU 27 HD11 LEU 27 -7.984 6.581 7.605 333 HD12 LEU 27 HD12 LEU 27 -7.378 4.925 7.438 334 HD13 LEU 27 HD13 LEU 27 -6.275 6.321 7.224 335 HD21 LEU 27 HD21 LEU 27 -5.417 5.103 10.531 336 HD22 LEU 27 HD22 LEU 27 -4.793 5.532 8.934 337 HD23 LEU 27 HD23 LEU 27 -5.785 4.089 9.133 338 H ASN 28 HN ASN 28 -9.057 8.908 10.396 339 HA ASN 28 HA ASN 28 -10.864 6.885 11.500 340 HB2 ASN 28 HB2 ASN 28 -11.014 9.875 11.858 341 HB3 ASN 28 HB1 ASN 28 -12.476 8.923 11.849 342 HD21 ASN 28 HD21 ASN 28 -9.455 7.839 13.322 343 HD22 ASN 28 HD22 ASN 28 -9.995 7.969 14.956 344 H ILE 29 HN ILE 29 -13.204 7.659 10.595 345 HA ILE 29 HA ILE 29 -13.043 7.261 7.809 346 HB ILE 29 HB ILE 29 -15.387 8.056 9.561 347 HG12 ILE 29 HG12 ILE 29 -14.522 5.806 10.051 348 HG13 ILE 29 HG11 ILE 29 -16.105 5.708 9.295 349 HG21 ILE 29 HG21 ILE 29 -16.892 7.545 7.741 350 HG22 ILE 29 HG22 ILE 29 -15.534 7.115 6.701 351 HG23 ILE 29 HG23 ILE 29 -15.747 8.783 7.221 352 HD11 ILE 29 HD11 ILE 29 -14.624 4.002 8.455 353 HD12 ILE 29 HD12 ILE 29 -13.448 5.217 7.968 354 HD13 ILE 29 HD13 ILE 29 -15.019 5.142 7.168 355 H ASP 30 HN ASP 30 -13.284 8.556 6.161 356 HA ASP 30 HA ASP 30 -13.385 10.247 4.820 357 HB2 ASP 30 HB2 ASP 30 -15.441 10.925 6.159 358 HB3 ASP 30 HB1 ASP 30 -14.397 12.036 7.042 359 H ASP 31 HN ASP 31 -11.073 9.684 6.664 360 HA ASP 31 HA ASP 31 -9.839 12.282 6.526 361 HB2 ASP 31 HB2 ASP 31 -9.463 10.576 8.466 362 HB3 ASP 31 HB1 ASP 31 -8.420 9.745 7.316 363 H GLU 32 HN GLU 32 -8.027 12.535 5.320 364 HA GLU 32 HA GLU 32 -8.420 11.344 2.736 365 HB2 GLU 32 HB2 GLU 32 -8.473 13.726 2.969 366 HB3 GLU 32 HB1 GLU 32 -6.874 13.782 3.660 367 HG2 GLU 32 HG2 GLU 32 -5.974 12.973 1.560 368 HG3 GLU 32 HG1 GLU 32 -7.609 12.875 0.897 369 H VAL 33 HN VAL 33 -6.952 10.154 1.678 370 HA VAL 33 HA VAL 33 -4.417 9.632 3.014 371 HB VAL 33 HB VAL 33 -4.507 7.262 2.732 372 HG11 VAL 33 HG11 VAL 33 -6.380 6.583 4.023 373 HG12 VAL 33 HG12 VAL 33 -7.204 8.069 3.542 374 HG13 VAL 33 HG13 VAL 33 -5.751 8.163 4.595 375 HG21 VAL 33 HG21 VAL 33 -5.552 7.164 0.538 376 HG22 VAL 33 HG22 VAL 33 -7.122 7.570 1.287 377 HG23 VAL 33 HG23 VAL 33 -6.321 6.052 1.674 378 H LYS 34 HN LYS 34 -2.779 8.797 1.631 379 HA LYS 34 HA LYS 34 -3.162 9.607 -1.174 380 HB2 LYS 34 HB2 LYS 34 -0.694 8.949 0.350 381 HB3 LYS 34 HB1 LYS 34 -0.708 9.328 -1.359 382 HG2 LYS 34 HG2 LYS 34 -1.611 11.600 -0.715 383 HG3 LYS 34 HG1 LYS 34 -1.251 11.149 0.961 384 HD2 LYS 34 HD2 LYS 34 0.755 11.150 -1.296 385 HD3 LYS 34 HD1 LYS 34 0.598 12.420 -0.083 386 HE2 LYS 34 HE2 LYS 34 1.341 11.016 1.646 387 HE3 LYS 34 HE1 LYS 34 1.029 9.560 0.716 388 HZ1 LYS 34 HZ1 LYS 34 3.341 10.033 0.915 389 HZ2 LYS 34 HZ2 LYS 34 3.162 11.519 0.105 390 HZ3 LYS 34 HZ3 LYS 34 2.830 10.040 -0.693 391 H ILE 35 HN ILE 35 -3.256 8.114 -2.698 392 HA ILE 35 HA ILE 35 -2.282 5.446 -2.063 393 HB ILE 35 HB ILE 35 -4.034 6.387 -4.384 394 HG12 ILE 35 HG12 ILE 35 -5.673 4.662 -3.448 395 HG13 ILE 35 HG11 ILE 35 -4.665 4.606 -2.014 396 HG21 ILE 35 HG21 ILE 35 -2.521 4.690 -5.184 397 HG22 ILE 35 HG22 ILE 35 -4.160 4.046 -5.099 398 HG23 ILE 35 HG23 ILE 35 -2.978 3.621 -3.859 399 HD11 ILE 35 HD11 ILE 35 -6.598 6.022 -1.673 400 HD12 ILE 35 HD12 ILE 35 -6.143 6.997 -3.069 401 HD13 ILE 35 HD13 ILE 35 -5.120 6.988 -1.631 402 H ASP 36 HN ASP 36 -0.136 5.534 -2.370 403 HA ASP 36 HA ASP 36 0.837 6.775 -4.829 404 HB2 ASP 36 HB2 ASP 36 2.196 6.181 -2.191 405 HB3 ASP 36 HB1 ASP 36 3.176 6.323 -3.657 406 H LEU 37 HN LEU 37 1.807 5.479 -6.448 407 HA LEU 37 HA LEU 37 1.493 2.705 -6.004 408 HB2 LEU 37 HB2 LEU 37 0.422 4.095 -7.886 409 HB3 LEU 37 HB1 LEU 37 2.062 4.267 -8.477 410 HG LEU 37 HG LEU 37 0.696 2.558 -9.659 411 HD11 LEU 37 HD11 LEU 37 2.467 0.861 -9.708 412 HD12 LEU 37 HD12 LEU 37 3.153 1.669 -8.267 413 HD13 LEU 37 HD13 LEU 37 3.063 2.535 -9.786 414 HD21 LEU 37 HD21 LEU 37 0.079 0.572 -8.655 415 HD22 LEU 37 HD22 LEU 37 -0.347 1.840 -7.471 416 HD23 LEU 37 HD23 LEU 37 1.102 0.862 -7.251 417 H VAL 38 HN VAL 38 3.186 1.550 -5.935 418 HA VAL 38 HA VAL 38 5.854 2.475 -6.766 419 HB VAL 38 HB VAL 38 5.338 1.464 -3.942 420 HG11 VAL 38 HG11 VAL 38 7.724 1.825 -3.546 421 HG12 VAL 38 HG12 VAL 38 7.929 2.250 -5.247 422 HG13 VAL 38 HG13 VAL 38 7.438 0.617 -4.802 423 HG21 VAL 38 HG21 VAL 38 6.175 3.656 -3.188 424 HG22 VAL 38 HG22 VAL 38 4.720 3.820 -4.171 425 HG23 VAL 38 HG23 VAL 38 6.297 4.177 -4.868 426 H ASP 39 HN ASP 39 6.596 0.906 -8.015 427 HA ASP 39 HA ASP 39 7.280 -1.124 -8.845 428 HB2 ASP 39 HB2 ASP 39 6.942 -2.078 -6.005 429 HB3 ASP 39 HB1 ASP 39 7.719 -2.982 -7.288 430 H GLY 40 HN GLY 40 4.335 -0.570 -8.515 431 HA2 GLY 40 HA2 GLY 40 2.562 -1.777 -9.470 432 HA3 GLY 40 HA1 GLY 40 3.523 -3.240 -9.325 433 H LYS 41 HN LYS 41 3.496 -1.536 -6.366 434 HA LYS 41 HA LYS 41 1.068 -2.958 -5.627 435 HB2 LYS 41 HB2 LYS 41 1.882 -3.350 -3.356 436 HB3 LYS 41 HB1 LYS 41 2.983 -4.072 -4.509 437 HG2 LYS 41 HG2 LYS 41 3.686 -1.359 -3.610 438 HG3 LYS 41 HG1 LYS 41 3.720 -2.597 -2.363 439 HD2 LYS 41 HD2 LYS 41 5.276 -3.922 -3.760 440 HD3 LYS 41 HD1 LYS 41 5.240 -2.638 -4.976 441 HE2 LYS 41 HE2 LYS 41 6.218 -1.068 -3.462 442 HE3 LYS 41 HE1 LYS 41 6.071 -2.181 -2.101 443 HZ1 LYS 41 HZ1 LYS 41 7.696 -3.609 -3.449 444 HZ2 LYS 41 HZ2 LYS 41 8.262 -2.221 -2.709 445 HZ3 LYS 41 HZ3 LYS 41 7.998 -2.200 -4.362 446 H LEU 42 HN LEU 42 -0.182 -1.983 -3.900 447 HA LEU 42 HA LEU 42 -0.233 0.891 -4.313 448 HB2 LEU 42 HB2 LEU 42 -2.177 -1.018 -3.052 449 HB3 LEU 42 HB1 LEU 42 -2.457 0.707 -3.110 450 HG LEU 42 HG LEU 42 -1.980 -0.895 -5.534 451 HD11 LEU 42 HD11 LEU 42 -4.648 -0.364 -4.131 452 HD12 LEU 42 HD12 LEU 42 -3.888 -1.946 -4.302 453 HD13 LEU 42 HD13 LEU 42 -4.507 -1.104 -5.724 454 HD21 LEU 42 HD21 LEU 42 -1.976 1.491 -6.004 455 HD22 LEU 42 HD22 LEU 42 -3.421 1.704 -5.031 456 HD23 LEU 42 HD23 LEU 42 -3.516 0.845 -6.552 457 H ILE 43 HN ILE 43 0.671 2.060 -3.075 458 HA ILE 43 HA ILE 43 1.259 1.207 -0.325 459 HB ILE 43 HB ILE 43 2.411 3.484 -1.877 460 HG12 ILE 43 HG12 ILE 43 2.910 1.373 -2.912 461 HG13 ILE 43 HG11 ILE 43 4.380 2.145 -2.279 462 HG21 ILE 43 HG21 ILE 43 3.385 2.152 0.661 463 HG22 ILE 43 HG22 ILE 43 2.575 3.710 0.555 464 HG23 ILE 43 HG23 ILE 43 4.183 3.508 -0.150 465 HD11 ILE 43 HD11 ILE 43 4.290 0.621 -0.373 466 HD12 ILE 43 HD12 ILE 43 4.390 -0.262 -1.898 467 HD13 ILE 43 HD13 ILE 43 2.851 -0.143 -1.047 468 H ILE 44 HN ILE 44 -0.310 1.795 0.797 469 HA ILE 44 HA ILE 44 -1.494 4.439 0.426 470 HB ILE 44 HB ILE 44 -2.641 2.037 1.873 471 HG12 ILE 44 HG12 ILE 44 -3.487 3.483 -0.645 472 HG13 ILE 44 HG11 ILE 44 -2.743 1.895 -0.561 473 HG21 ILE 44 HG21 ILE 44 -3.850 4.796 1.570 474 HG22 ILE 44 HG22 ILE 44 -3.280 4.067 3.074 475 HG23 ILE 44 HG23 ILE 44 -4.667 3.379 2.232 476 HD11 ILE 44 HD11 ILE 44 -4.719 1.056 0.627 477 HD12 ILE 44 HD12 ILE 44 -5.112 1.696 -0.966 478 HD13 ILE 44 HD13 ILE 44 -5.463 2.649 0.483 479 H GLU 45 HN GLU 45 -0.518 5.810 1.461 480 HA GLU 45 HA GLU 45 0.371 5.393 4.227 481 HB2 GLU 45 HB2 GLU 45 2.230 5.782 2.766 482 HB3 GLU 45 HB1 GLU 45 1.406 7.057 1.893 483 HG2 GLU 45 HG2 GLU 45 1.745 8.508 3.866 484 HG3 GLU 45 HG1 GLU 45 2.575 7.158 4.676 485 HA PRO 46 HA PRO 46 -2.903 8.213 4.787 486 HB2 PRO 46 HB2 PRO 46 -2.201 8.863 7.485 487 HB3 PRO 46 HB1 PRO 46 -3.421 7.719 6.931 488 HG2 PRO 46 HG2 PRO 46 -1.122 7.135 8.200 489 HG3 PRO 46 HG1 PRO 46 -2.021 5.928 7.243 490 HD2 PRO 46 HD2 PRO 46 0.360 7.575 6.597 491 HD3 PRO 46 HD1 PRO 46 0.090 5.915 6.055 492 H VAL 47 HN VAL 47 -3.223 10.457 5.612 493 HA VAL 47 HA VAL 47 -0.861 11.959 4.753 494 HB VAL 47 HB VAL 47 -3.703 13.025 4.748 495 HG11 VAL 47 HG11 VAL 47 -1.889 14.723 4.866 496 HG12 VAL 47 HG12 VAL 47 -2.800 14.751 3.331 497 HG13 VAL 47 HG13 VAL 47 -1.225 13.959 3.402 498 HG21 VAL 47 HG21 VAL 47 -3.486 11.243 3.198 499 HG22 VAL 47 HG22 VAL 47 -2.041 12.006 2.494 500 HG23 VAL 47 HG23 VAL 47 -3.616 12.765 2.310 501 H ARG 48 HN ARG 48 0.183 12.842 6.240 502 HA ARG 48 HA ARG 48 -0.945 13.131 8.851 503 HB2 ARG 48 HB2 ARG 48 1.280 13.995 9.504 504 HB3 ARG 48 HB1 ARG 48 1.342 12.401 8.773 505 HG2 ARG 48 HG2 ARG 48 2.138 13.348 6.707 506 HG3 ARG 48 HG1 ARG 48 1.990 14.982 7.370 507 HD2 ARG 48 HD2 ARG 48 3.639 12.844 8.624 508 HD3 ARG 48 HD1 ARG 48 4.306 13.931 7.388 509 HE ARG 48 HE ARG 48 3.320 15.642 9.203 510 HH11 ARG 48 HH11 ARG 48 5.346 12.759 9.720 511 HH12 ARG 48 HH12 ARG 48 6.184 13.443 11.033 512 HH21 ARG 48 HH21 ARG 48 4.394 16.507 11.008 513 HH22 ARG 48 HH22 ARG 48 5.651 15.650 11.790 514 H LYS 49 HN LYS 49 -1.075 15.028 9.961 515 HA LYS 49 HA LYS 49 -1.505 17.381 8.278 516 HB2 LYS 49 HB2 LYS 49 -2.731 16.749 10.969 517 HB3 LYS 49 HB1 LYS 49 -3.235 17.955 9.802 518 HG2 LYS 49 HG2 LYS 49 -3.527 14.959 9.446 519 HG3 LYS 49 HG1 LYS 49 -4.817 16.048 9.940 520 HD2 LYS 49 HD2 LYS 49 -4.810 17.117 7.766 521 HD3 LYS 49 HD1 LYS 49 -3.370 16.240 7.263 522 HE2 LYS 49 HE2 LYS 49 -5.310 15.252 6.263 523 HE3 LYS 49 HE1 LYS 49 -4.593 14.136 7.418 524 HZ1 LYS 49 HZ1 LYS 49 -6.332 14.820 9.020 525 HZ2 LYS 49 HZ2 LYS 49 -6.919 14.096 7.640 526 HZ3 LYS 49 HZ3 LYS 49 -7.038 15.773 7.803 527 H GLU 50 HN GLU 50 0.213 18.433 8.384 528 HA GLU 50 HA GLU 50 1.915 19.684 9.116 529 HB2 GLU 50 HB2 GLU 50 0.432 20.457 10.969 530 HB3 GLU 50 HB1 GLU 50 0.902 19.058 11.911 531 HG2 GLU 50 HG2 GLU 50 3.236 19.924 11.881 532 HG3 GLU 50 HG1 GLU 50 2.622 21.382 11.106 533 H1 ASN -16 HT1 ASN -16 -3.843 13.105 -8.287 534 H2 ASN -16 HT2 ASN -16 -2.326 12.679 -7.625 535 H3 ASN -16 HT3 ASN -16 -2.502 12.837 -9.252 536 HA ASN -16 HA ASN -16 -2.873 15.099 -7.425 537 HB2 ASN -16 HB2 ASN -16 -0.543 14.312 -7.394 538 HB3 ASN -16 HB1 ASN -16 -0.507 14.355 -9.151 539 HD21 ASN -16 HD21 ASN -16 1.158 15.842 -9.264 540 HD22 ASN -16 HD22 ASN -16 0.988 17.486 -8.799 541 H HIS -15 HN HIS -15 -3.934 16.689 -8.343 542 HA HIS -15 HA HIS -15 -4.907 18.093 -9.786 543 HB2 HIS -15 HB2 HIS -15 -2.518 18.488 -10.484 544 HB3 HIS -15 HB1 HIS -15 -2.753 17.307 -11.762 545 HD1 HIS -15 HD1 HIS -15 -3.805 18.178 -13.946 546 HD2 HIS -15 HD2 HIS -15 -4.010 20.895 -10.808 547 HE1 HIS -15 HE1 HIS -15 -4.645 20.327 -14.937 548 H LYS -14 HN LYS -14 -6.812 17.074 -9.971 549 HA LYS -14 HA LYS -14 -7.251 15.625 -12.479 550 HB2 LYS -14 HB2 LYS -14 -7.256 14.158 -10.432 551 HB3 LYS -14 HB1 LYS -14 -8.594 15.110 -9.826 552 HG2 LYS -14 HG2 LYS -14 -9.994 14.354 -11.657 553 HG3 LYS -14 HG1 LYS -14 -8.641 13.436 -12.328 554 HD2 LYS -14 HD2 LYS -14 -8.514 12.149 -10.217 555 HD3 LYS -14 HD1 LYS -14 -9.944 13.004 -9.640 556 HE2 LYS -14 HE2 LYS -14 -11.223 12.099 -11.524 557 HE3 LYS -14 HE1 LYS -14 -9.783 11.245 -12.079 558 HZ1 LYS -14 HZ1 LYS -14 -11.244 9.787 -10.838 559 HZ2 LYS -14 HZ2 LYS -14 -11.164 10.793 -9.483 560 HZ3 LYS -14 HZ3 LYS -14 -9.792 9.988 -10.013 561 H VAL -13 HN VAL -13 -8.050 17.381 -13.559 562 HA VAL -13 HA VAL -13 -10.119 18.984 -12.275 563 HB VAL -13 HB VAL -13 -9.811 20.601 -14.121 564 HG11 VAL -13 HG11 VAL -13 -8.550 20.881 -12.080 565 HG12 VAL -13 HG12 VAL -13 -7.577 21.377 -13.461 566 HG13 VAL -13 HG13 VAL -13 -7.280 19.822 -12.688 567 HG21 VAL -13 HG21 VAL -13 -7.918 20.375 -15.664 568 HG22 VAL -13 HG22 VAL -13 -9.074 19.061 -15.887 569 HG23 VAL -13 HG23 VAL -13 -7.568 18.778 -15.008 570 H HIS -12 HN HIS -12 -9.765 16.535 -14.563 571 HA HIS -12 HA HIS -12 -11.222 15.340 -15.800 572 HB2 HIS -12 HB2 HIS -12 -13.349 17.023 -14.453 573 HB3 HIS -12 HB1 HIS -12 -13.709 15.697 -15.551 574 HD1 HIS -12 HD1 HIS -12 -13.534 16.346 -12.073 575 HD2 HIS -12 HD2 HIS -12 -12.312 13.202 -14.489 576 HE1 HIS -12 HE1 HIS -12 -13.318 14.347 -10.563 577 H HIS -11 HN HIS -11 -13.189 15.720 -17.472 578 HA HIS -11 HA HIS -11 -13.912 16.568 -19.394 579 HB2 HIS -11 HB2 HIS -11 -14.169 18.804 -18.370 580 HB3 HIS -11 HB1 HIS -11 -12.468 19.142 -18.642 581 HD1 HIS -11 HD1 HIS -11 -12.466 20.996 -20.372 582 HD2 HIS -11 HD2 HIS -11 -15.185 17.982 -21.291 583 HE1 HIS -11 HE1 HIS -11 -13.458 21.605 -22.586 584 H HIS -10 HN HIS -10 -10.557 17.326 -18.799 585 HA HIS -10 HA HIS -10 -9.919 16.100 -21.408 586 HB2 HIS -10 HB2 HIS -10 -8.371 18.224 -19.897 587 HB3 HIS -10 HB1 HIS -10 -7.800 17.423 -21.350 588 HD1 HIS -10 HD1 HIS -10 -9.687 17.769 -23.478 589 HD2 HIS -10 HD2 HIS -10 -9.545 20.561 -20.403 590 HE1 HIS -10 HE1 HIS -10 -10.784 19.826 -24.363 591 H HIS -9 HN HIS -9 -10.389 14.848 -18.868 592 HA HIS -9 HA HIS -9 -7.796 14.067 -17.826 593 HB2 HIS -9 HB2 HIS -9 -9.642 14.459 -16.296 594 HB3 HIS -9 HB1 HIS -9 -10.615 13.214 -17.073 595 HD1 HIS -9 HD1 HIS -9 -10.069 10.740 -16.350 596 HD2 HIS -9 HD2 HIS -9 -7.667 13.634 -14.578 597 HE1 HIS -9 HE1 HIS -9 -8.939 9.635 -14.394 598 H HIS -8 HN HIS -8 -6.857 12.980 -19.460 599 HA HIS -8 HA HIS -8 -8.246 10.586 -20.476 600 HB2 HIS -8 HB2 HIS -8 -5.845 11.993 -21.660 601 HB3 HIS -8 HB1 HIS -8 -6.720 10.649 -22.378 602 HD1 HIS -8 HD1 HIS -8 -6.438 14.176 -22.662 603 HD2 HIS -8 HD2 HIS -8 -9.582 11.478 -22.791 604 HE1 HIS -8 HE1 HIS -8 -8.342 15.382 -23.803 605 H HIS -7 HN HIS -7 -5.264 11.798 -19.137 606 HA HIS -7 HA HIS -7 -4.521 9.101 -18.360 607 HB2 HIS -7 HB2 HIS -7 -3.433 9.543 -20.521 608 HB3 HIS -7 HB1 HIS -7 -2.798 11.053 -19.902 609 HD1 HIS -7 HD1 HIS -7 -2.411 7.279 -19.205 610 HD2 HIS -7 HD2 HIS -7 -0.326 10.872 -18.954 611 HE1 HIS -7 HE1 HIS -7 -0.063 6.687 -18.577 612 H MET -6 HN MET -6 -3.856 9.132 -16.282 613 HA MET -6 HA MET -6 -3.667 11.685 -14.901 614 HB2 MET -6 HB2 MET -6 -3.455 8.865 -13.840 615 HB3 MET -6 HB1 MET -6 -3.481 10.310 -12.854 616 HG2 MET -6 HG2 MET -6 -5.755 10.788 -13.648 617 HG3 MET -6 HG1 MET -6 -5.716 9.300 -14.590 618 HE1 MET -6 HE1 MET -6 -4.152 7.314 -12.700 619 HE2 MET -6 HE2 MET -6 -5.667 6.806 -13.447 620 HE3 MET -6 HE3 MET -6 -5.421 6.594 -11.720 621 H SER -5 HN SER -5 -1.596 9.662 -16.499 622 HA SER -5 HA SER -5 0.586 9.258 -16.580 623 HB2 SER -5 HB2 SER -5 0.722 11.832 -16.376 624 HB3 SER -5 HB1 SER -5 0.999 11.591 -14.657 625 HG SER -5 HG SER -5 2.950 11.789 -15.659 626 H ASP -4 HN ASP -4 -0.335 7.462 -15.485 627 HA ASP -4 HA ASP -4 -0.730 7.063 -12.791 628 HB2 ASP -4 HB2 ASP -4 0.080 4.966 -14.802 629 HB3 ASP -4 HB1 ASP -4 -0.796 4.700 -13.304 630 H ASP -3 HN ASP -3 2.132 6.845 -14.557 631 HA ASP -3 HA ASP -3 3.606 5.489 -12.439 632 HB2 ASP -3 HB2 ASP -3 4.377 6.414 -15.174 633 HB3 ASP -3 HB1 ASP -3 5.581 5.858 -14.032 634 H ASP -2 HN ASP -2 3.043 8.709 -13.444 635 HA ASP -2 HA ASP -2 5.477 9.628 -12.057 636 HB2 ASP -2 HB2 ASP -2 5.369 10.201 -14.446 637 HB3 ASP -2 HB1 ASP -2 3.848 11.033 -14.177 638 H ASP -1 HN ASP -1 2.117 9.503 -11.798 639 HA ASP -1 HA ASP -1 1.483 11.985 -10.763 640 HB2 ASP -1 HB2 ASP -1 -0.193 10.254 -11.421 641 HB3 ASP -1 HB1 ASP -1 0.162 9.405 -9.915 642 H LYS 0 HN LYS 0 1.664 12.945 -8.934 643 HA LYS 0 HA LYS 0 3.561 11.897 -7.050 644 HB2 LYS 0 HB2 LYS 0 2.216 14.576 -7.194 645 HB3 LYS 0 HB1 LYS 0 3.517 14.145 -6.086 646 HG2 LYS 0 HG2 LYS 0 4.963 13.654 -7.986 647 HG3 LYS 0 HG1 LYS 0 3.679 14.125 -9.087 648 HD2 LYS 0 HD2 LYS 0 5.245 15.969 -8.840 649 HD3 LYS 0 HD1 LYS 0 3.687 16.390 -8.126 650 HE2 LYS 0 HE2 LYS 0 4.549 15.930 -5.900 651 HE3 LYS 0 HE1 LYS 0 6.077 15.392 -6.590 652 HZ1 LYS 0 HZ1 LYS 0 4.987 18.135 -6.841 653 HZ2 LYS 0 HZ2 LYS 0 6.501 17.595 -7.363 654 HZ3 LYS 0 HZ3 LYS 0 6.147 17.647 -5.723 655 H GLY 1 HN GLY 1 0.478 11.204 -7.137 656 HA2 GLY 1 HA2 GLY 1 0.083 9.882 -4.995 657 HA3 GLY 1 HA1 GLY 1 0.144 11.466 -4.237 658 H ILE 2 HN ILE 2 -1.843 9.163 -5.439 659 HA ILE 2 HA ILE 2 -3.901 10.988 -6.308 660 HB ILE 2 HB ILE 2 -4.005 7.975 -5.872 661 HG12 ILE 2 HG12 ILE 2 -3.727 9.546 -8.452 662 HG13 ILE 2 HG11 ILE 2 -2.430 8.657 -7.668 663 HG21 ILE 2 HG21 ILE 2 -6.086 8.062 -7.203 664 HG22 ILE 2 HG22 ILE 2 -5.967 9.817 -7.267 665 HG23 ILE 2 HG23 ILE 2 -6.223 9.008 -5.721 666 HD11 ILE 2 HD11 ILE 2 -3.344 7.428 -9.552 667 HD12 ILE 2 HD12 ILE 2 -4.948 7.477 -8.826 668 HD13 ILE 2 HD13 ILE 2 -3.654 6.569 -8.043 669 H HIS 3 HN HIS 3 -4.833 12.083 -4.755 670 HA HIS 3 HA HIS 3 -4.954 10.990 -2.083 671 HB2 HIS 3 HB2 HIS 3 -5.592 13.713 -3.184 672 HB3 HIS 3 HB1 HIS 3 -6.063 13.264 -1.552 673 HD1 HIS 3 HD1 HIS 3 -4.481 14.496 -0.066 674 HD2 HIS 3 HD2 HIS 3 -2.540 12.810 -3.339 675 HE1 HIS 3 HE1 HIS 3 -2.018 14.966 0.247 676 H SER 4 HN SER 4 -6.633 10.308 -1.082 677 HA SER 4 HA SER 4 -9.313 10.545 -2.179 678 HB2 SER 4 HB2 SER 4 -7.736 8.085 -1.728 679 HB3 SER 4 HB1 SER 4 -9.479 7.986 -1.737 680 HG SER 4 HG SER 4 -8.234 9.357 -3.819 681 H SER 5 HN SER 5 -10.481 8.729 -0.381 682 HA SER 5 HA SER 5 -9.503 9.420 2.220 683 HB2 SER 5 HB2 SER 5 -11.795 10.339 2.834 684 HB3 SER 5 HB1 SER 5 -10.778 11.378 1.838 685 HG SER 5 HG SER 5 -11.989 10.243 0.022 686 H VAL 6 HN VAL 6 -10.473 8.212 3.840 687 HA VAL 6 HA VAL 6 -11.474 5.626 2.963 688 HB VAL 6 HB VAL 6 -11.040 6.642 5.784 689 HG11 VAL 6 HG11 VAL 6 -10.927 4.273 6.381 690 HG12 VAL 6 HG12 VAL 6 -11.263 3.834 4.707 691 HG13 VAL 6 HG13 VAL 6 -12.479 4.685 5.657 692 HG21 VAL 6 HG21 VAL 6 -8.902 5.437 5.691 693 HG22 VAL 6 HG22 VAL 6 -9.011 6.800 4.562 694 HG23 VAL 6 HG23 VAL 6 -9.210 5.142 3.969 695 H LYS 7 HN LYS 7 -13.598 5.226 2.853 696 HA LYS 7 HA LYS 7 -15.341 7.077 4.303 697 HB2 LYS 7 HB2 LYS 7 -15.844 5.534 1.754 698 HB3 LYS 7 HB1 LYS 7 -17.033 6.581 2.576 699 HG2 LYS 7 HG2 LYS 7 -14.439 7.452 1.336 700 HG3 LYS 7 HG1 LYS 7 -16.017 7.552 0.562 701 HD2 LYS 7 HD2 LYS 7 -16.761 9.013 2.442 702 HD3 LYS 7 HD1 LYS 7 -15.105 8.998 3.049 703 HE2 LYS 7 HE2 LYS 7 -14.298 9.940 0.947 704 HE3 LYS 7 HE1 LYS 7 -15.935 9.934 0.306 705 HZ1 LYS 7 HZ1 LYS 7 -15.035 11.551 2.653 706 HZ2 LYS 7 HZ2 LYS 7 -16.550 11.610 1.914 707 HZ3 LYS 7 HZ3 LYS 7 -15.190 12.102 1.085 708 H ARG 8 HN ARG 8 -17.615 5.766 4.593 709 HA ARG 8 HA ARG 8 -16.749 3.313 5.974 710 HB2 ARG 8 HB2 ARG 8 -17.698 5.266 7.327 711 HB3 ARG 8 HB1 ARG 8 -19.257 4.843 6.623 712 HG2 ARG 8 HG2 ARG 8 -18.999 2.575 7.572 713 HG3 ARG 8 HG1 ARG 8 -17.504 3.105 8.338 714 HD2 ARG 8 HD2 ARG 8 -20.289 4.111 8.836 715 HD3 ARG 8 HD1 ARG 8 -19.262 3.227 9.957 716 HE ARG 8 HE ARG 8 -18.821 5.999 9.061 717 HH11 ARG 8 HH11 ARG 8 -18.148 3.470 11.451 718 HH12 ARG 8 HH12 ARG 8 -17.751 4.560 12.691 719 HH21 ARG 8 HH21 ARG 8 -18.250 7.484 10.757 720 HH22 ARG 8 HH22 ARG 8 -17.814 6.915 12.294 721 H TRP 9 HN TRP 9 -17.456 1.480 5.098 722 HA TRP 9 HA TRP 9 -19.917 1.528 3.486 723 HB2 TRP 9 HB2 TRP 9 -17.742 1.032 2.301 724 HB3 TRP 9 HB1 TRP 9 -17.550 -0.342 3.329 725 HD1 TRP 9 HD1 TRP 9 -21.099 -0.058 2.117 726 HE1 TRP 9 HE1 TRP 9 -21.464 -1.700 0.225 727 HE3 TRP 9 HE3 TRP 9 -16.230 -1.538 1.145 728 HZ2 TRP 9 HZ2 TRP 9 -20.084 -3.427 -1.346 729 HZ3 TRP 9 HZ3 TRP 9 -15.911 -3.205 -0.518 730 HH2 TRP 9 HH2 TRP 9 -17.858 -4.122 -1.809 731 H GLY 10 HN GLY 10 -21.353 1.017 5.065 732 HA2 GLY 10 HA2 GLY 10 -22.482 -0.359 6.488 733 HA3 GLY 10 HA1 GLY 10 -21.265 -1.609 6.188 734 H ASN 11 HN ASN 11 -20.530 -2.135 8.117 735 HA ASN 11 HA ASN 11 -19.744 -0.039 9.977 736 HB2 ASN 11 HB2 ASN 11 -20.993 -2.061 10.764 737 HB3 ASN 11 HB1 ASN 11 -19.649 -3.061 10.246 738 HD21 ASN 11 HD21 ASN 11 -20.739 -0.732 12.583 739 HD22 ASN 11 HD22 ASN 11 -19.518 -1.026 13.769 740 H SER 12 HN SER 12 -18.162 -0.857 7.225 741 HA SER 12 HA SER 12 -15.691 -1.277 8.609 742 HB2 SER 12 HB2 SER 12 -14.896 -2.529 6.663 743 HB3 SER 12 HB1 SER 12 -16.153 -3.379 7.504 744 HG SER 12 HG SER 12 -17.291 -1.841 5.592 745 HA PRO 13 HA PRO 13 -14.444 2.423 6.463 746 HB2 PRO 13 HB2 PRO 13 -11.722 1.573 6.907 747 HB3 PRO 13 HB1 PRO 13 -12.578 2.901 7.671 748 HG2 PRO 13 HG2 PRO 13 -11.855 0.416 8.822 749 HG3 PRO 13 HG1 PRO 13 -12.807 1.708 9.563 750 HD2 PRO 13 HD2 PRO 13 -13.716 -0.872 8.628 751 HD3 PRO 13 HD1 PRO 13 -14.639 0.408 9.421 752 H ALA 14 HN ALA 14 -14.256 2.521 4.303 753 HA ALA 14 HA ALA 14 -12.641 0.519 2.949 754 HB1 ALA 14 HB1 ALA 14 -14.378 0.214 1.248 755 HB2 ALA 14 HB2 ALA 14 -15.475 1.231 2.190 756 HB3 ALA 14 HB3 ALA 14 -14.915 -0.305 2.843 757 H VAL 15 HN VAL 15 -11.587 1.274 1.233 758 HA VAL 15 HA VAL 15 -11.821 4.145 0.645 759 HB VAL 15 HB VAL 15 -9.522 2.236 0.053 760 HG11 VAL 15 HG11 VAL 15 -8.218 4.250 -0.466 761 HG12 VAL 15 HG12 VAL 15 -9.650 5.246 -0.194 762 HG13 VAL 15 HG13 VAL 15 -9.618 4.097 -1.531 763 HG21 VAL 15 HG21 VAL 15 -9.657 4.402 2.135 764 HG22 VAL 15 HG22 VAL 15 -8.318 3.274 1.872 765 HG23 VAL 15 HG23 VAL 15 -9.870 2.692 2.471 766 H ARG 16 HN ARG 16 -12.256 4.776 -1.417 767 HA ARG 16 HA ARG 16 -13.226 2.797 -3.264 768 HB2 ARG 16 HB2 ARG 16 -13.082 5.789 -3.389 769 HB3 ARG 16 HB1 ARG 16 -13.770 4.810 -4.698 770 HG2 ARG 16 HG2 ARG 16 -15.408 3.982 -3.142 771 HG3 ARG 16 HG1 ARG 16 -14.719 4.965 -1.845 772 HD2 ARG 16 HD2 ARG 16 -16.536 6.044 -2.602 773 HD3 ARG 16 HD1 ARG 16 -15.216 6.911 -3.415 774 HE ARG 16 HE ARG 16 -16.437 4.734 -4.875 775 HH11 ARG 16 HH11 ARG 16 -16.346 8.251 -4.403 776 HH12 ARG 16 HH12 ARG 16 -17.311 8.603 -5.753 777 HH21 ARG 16 HH21 ARG 16 -17.793 5.229 -6.742 778 HH22 ARG 16 HH22 ARG 16 -18.132 6.840 -7.139 779 H ILE 17 HN ILE 17 -11.636 1.737 -4.411 780 HA ILE 17 HA ILE 17 -9.203 3.148 -5.093 781 HB ILE 17 HB ILE 17 -9.972 0.217 -5.197 782 HG12 ILE 17 HG12 ILE 17 -7.699 -0.007 -4.023 783 HG13 ILE 17 HG11 ILE 17 -7.784 1.733 -3.810 784 HG21 ILE 17 HG21 ILE 17 -8.883 0.535 -7.301 785 HG22 ILE 17 HG22 ILE 17 -7.874 -0.376 -6.155 786 HG23 ILE 17 HG23 ILE 17 -7.514 1.325 -6.482 787 HD11 ILE 17 HD11 ILE 17 -9.804 1.486 -2.530 788 HD12 ILE 17 HD12 ILE 17 -8.505 0.464 -1.876 789 HD13 ILE 17 HD13 ILE 17 -9.778 -0.248 -2.884 790 HA PRO 18 HA PRO 18 -10.704 4.209 -9.121 791 HB2 PRO 18 HB2 PRO 18 -8.208 4.484 -10.322 792 HB3 PRO 18 HB1 PRO 18 -9.034 5.750 -9.412 793 HG2 PRO 18 HG2 PRO 18 -6.867 3.899 -8.538 794 HG3 PRO 18 HG1 PRO 18 -7.124 5.603 -8.127 795 HD2 PRO 18 HD2 PRO 18 -7.709 3.603 -6.430 796 HD3 PRO 18 HD1 PRO 18 -8.667 5.095 -6.481 797 H ALA 19 HN ALA 19 -11.361 2.952 -10.694 798 HA ALA 19 HA ALA 19 -10.710 0.230 -10.937 799 HB1 ALA 19 HB1 ALA 19 -12.865 1.215 -11.627 800 HB2 ALA 19 HB2 ALA 19 -12.143 0.229 -12.893 801 HB3 ALA 19 HB3 ALA 19 -12.057 1.990 -12.990 802 H THR 20 HN THR 20 -9.444 3.046 -12.467 803 HA THR 20 HA THR 20 -8.073 2.041 -14.644 804 HB THR 20 HB THR 20 -7.086 4.198 -12.770 805 HG1 THR 20 HG1 THR 20 -8.677 4.906 -14.902 806 HG21 THR 20 HG21 THR 20 -5.544 3.716 -14.574 807 HG22 THR 20 HG22 THR 20 -6.370 5.231 -14.964 808 HG23 THR 20 HG23 THR 20 -6.846 3.730 -15.748 809 H LEU 21 HN LEU 21 -7.199 2.099 -11.201 810 HA LEU 21 HA LEU 21 -4.529 1.120 -11.605 811 HB2 LEU 21 HB2 LEU 21 -6.202 1.821 -9.255 812 HB3 LEU 21 HB1 LEU 21 -4.825 0.767 -9.011 813 HG LEU 21 HG LEU 21 -4.509 3.152 -8.559 814 HD11 LEU 21 HD11 LEU 21 -2.597 1.651 -8.957 815 HD12 LEU 21 HD12 LEU 21 -2.243 3.221 -9.679 816 HD13 LEU 21 HD13 LEU 21 -2.761 1.873 -10.696 817 HD21 LEU 21 HD21 LEU 21 -4.630 3.343 -11.543 818 HD22 LEU 21 HD22 LEU 21 -4.004 4.644 -10.514 819 HD23 LEU 21 HD23 LEU 21 -5.707 4.153 -10.405 820 H MET 22 HN MET 22 -7.531 -0.102 -10.633 821 HA MET 22 HA MET 22 -6.913 -2.772 -10.006 822 HB2 MET 22 HB2 MET 22 -9.273 -1.658 -11.509 823 HB3 MET 22 HB1 MET 22 -9.192 -3.319 -10.955 824 HG2 MET 22 HG2 MET 22 -8.981 -0.946 -9.109 825 HG3 MET 22 HG1 MET 22 -10.504 -1.738 -9.524 826 HE1 MET 22 HE1 MET 22 -9.727 -4.711 -9.742 827 HE2 MET 22 HE2 MET 22 -11.164 -4.086 -8.947 828 HE3 MET 22 HE3 MET 22 -10.134 -5.262 -8.113 829 H GLN 23 HN GLN 23 -7.616 -1.408 -13.082 830 HA GLN 23 HA GLN 23 -6.936 -3.653 -14.665 831 HB2 GLN 23 HB2 GLN 23 -6.869 -0.731 -15.327 832 HB3 GLN 23 HB1 GLN 23 -6.745 -2.046 -16.492 833 HG2 GLN 23 HG2 GLN 23 -8.894 -2.836 -15.865 834 HG3 GLN 23 HG1 GLN 23 -9.060 -1.586 -14.644 835 HE21 GLN 23 HE21 GLN 23 -10.886 -0.748 -15.579 836 HE22 GLN 23 HE22 GLN 23 -10.853 0.176 -17.030 837 H ALA 24 HN ALA 24 -5.062 -1.064 -13.321 838 HA ALA 24 HA ALA 24 -2.756 -1.451 -15.006 839 HB1 ALA 24 HB1 ALA 24 -1.622 0.163 -13.616 840 HB2 ALA 24 HB2 ALA 24 -2.841 -0.011 -12.361 841 HB3 ALA 24 HB3 ALA 24 -3.273 0.720 -13.909 842 H LEU 25 HN LEU 25 -3.705 -2.577 -11.890 843 HA LEU 25 HA LEU 25 -1.155 -3.914 -11.423 844 HB2 LEU 25 HB2 LEU 25 -3.670 -3.821 -9.806 845 HB3 LEU 25 HB1 LEU 25 -2.136 -4.500 -9.285 846 HG LEU 25 HG LEU 25 -2.583 -1.606 -9.985 847 HD11 LEU 25 HD11 LEU 25 -2.424 -1.239 -7.600 848 HD12 LEU 25 HD12 LEU 25 -2.355 -2.993 -7.354 849 HD13 LEU 25 HD13 LEU 25 -3.810 -2.250 -8.027 850 HD21 LEU 25 HD21 LEU 25 -0.407 -1.305 -8.913 851 HD22 LEU 25 HD22 LEU 25 -0.292 -2.335 -10.340 852 HD23 LEU 25 HD23 LEU 25 -0.269 -3.049 -8.724 853 H ASN 26 HN ASN 26 -4.114 -4.430 -12.781 854 HA ASN 26 HA ASN 26 -5.203 -6.051 -13.773 855 HB2 ASN 26 HB2 ASN 26 -2.991 -6.574 -14.792 856 HB3 ASN 26 HB1 ASN 26 -2.706 -7.747 -13.518 857 HD21 ASN 26 HD21 ASN 26 -3.801 -9.701 -13.588 858 HD22 ASN 26 HD22 ASN 26 -4.681 -10.243 -14.965 859 H LEU 27 HN LEU 27 -6.337 -5.870 -11.623 860 HA LEU 27 HA LEU 27 -6.776 -8.581 -10.793 861 HB2 LEU 27 HB2 LEU 27 -7.387 -7.769 -8.662 862 HB3 LEU 27 HB1 LEU 27 -5.664 -7.522 -8.947 863 HG LEU 27 HG LEU 27 -7.671 -5.302 -9.263 864 HD11 LEU 27 HD11 LEU 27 -7.977 -6.414 -7.135 865 HD12 LEU 27 HD12 LEU 27 -7.365 -4.763 -6.972 866 HD13 LEU 27 HD13 LEU 27 -6.266 -6.164 -6.753 867 HD21 LEU 27 HD21 LEU 27 -5.401 -4.930 -10.053 868 HD22 LEU 27 HD22 LEU 27 -4.771 -5.411 -8.476 869 HD23 LEU 27 HD23 LEU 27 -5.741 -3.947 -8.624 870 H ASN 28 HN ASN 28 -8.995 -8.749 -9.936 871 HA ASN 28 HA ASN 28 -10.862 -6.826 -11.155 872 HB2 ASN 28 HB2 ASN 28 -10.928 -9.847 -11.252 873 HB3 ASN 28 HB1 ASN 28 -12.407 -8.928 -11.325 874 HD21 ASN 28 HD21 ASN 28 -9.555 -7.635 -12.830 875 HD22 ASN 28 HD22 ASN 28 -10.044 -7.934 -14.457 876 H ILE 29 HN ILE 29 -13.153 -7.478 -10.189 877 HA ILE 29 HA ILE 29 -13.000 -7.006 -7.398 878 HB ILE 29 HB ILE 29 -15.322 -7.763 -9.181 879 HG12 ILE 29 HG12 ILE 29 -14.407 -5.537 -9.678 880 HG13 ILE 29 HG11 ILE 29 -15.998 -5.396 -8.952 881 HG21 ILE 29 HG21 ILE 29 -16.854 -7.185 -7.392 882 HG22 ILE 29 HG22 ILE 29 -15.509 -6.769 -6.332 883 HG23 ILE 29 HG23 ILE 29 -15.752 -8.442 -6.831 884 HD11 ILE 29 HD11 ILE 29 -14.488 -3.714 -8.102 885 HD12 ILE 29 HD12 ILE 29 -13.358 -4.953 -7.573 886 HD13 ILE 29 HD13 ILE 29 -14.946 -4.827 -6.814 887 H ASP 30 HN ASP 30 -13.358 -8.322 -5.710 888 HA ASP 30 HA ASP 30 -13.620 -10.048 -4.402 889 HB2 ASP 30 HB2 ASP 30 -15.535 -10.779 -5.820 890 HB3 ASP 30 HB1 ASP 30 -14.422 -11.707 -6.814 891 H ASP 31 HN ASP 31 -11.189 -9.518 -6.287 892 HA ASP 31 HA ASP 31 -9.911 -12.072 -6.101 893 HB2 ASP 31 HB2 ASP 31 -9.567 -10.340 -8.008 894 HB3 ASP 31 HB1 ASP 31 -8.587 -9.464 -6.841 895 H GLU 32 HN GLU 32 -8.295 -12.470 -4.756 896 HA GLU 32 HA GLU 32 -8.607 -11.185 -2.229 897 HB2 GLU 32 HB2 GLU 32 -8.689 -13.600 -2.384 898 HB3 GLU 32 HB1 GLU 32 -7.079 -13.686 -3.050 899 HG2 GLU 32 HG2 GLU 32 -6.183 -12.815 -0.984 900 HG3 GLU 32 HG1 GLU 32 -7.816 -12.646 -0.334 901 H VAL 33 HN VAL 33 -7.138 -9.998 -1.190 902 HA VAL 33 HA VAL 33 -4.566 -9.525 -2.480 903 HB VAL 33 HB VAL 33 -4.688 -7.157 -2.365 904 HG11 VAL 33 HG11 VAL 33 -6.638 -6.488 -3.607 905 HG12 VAL 33 HG12 VAL 33 -7.448 -7.948 -3.073 906 HG13 VAL 33 HG13 VAL 33 -6.063 -8.074 -4.189 907 HG21 VAL 33 HG21 VAL 33 -5.638 -6.947 -0.125 908 HG22 VAL 33 HG22 VAL 33 -7.248 -7.340 -0.803 909 HG23 VAL 33 HG23 VAL 33 -6.423 -5.863 -1.277 910 H LYS 34 HN LYS 34 -2.905 -8.763 -1.019 911 HA LYS 34 HA LYS 34 -3.474 -9.503 1.754 912 HB2 LYS 34 HB2 LYS 34 -0.937 -8.938 0.328 913 HB3 LYS 34 HB1 LYS 34 -1.027 -9.339 2.028 914 HG2 LYS 34 HG2 LYS 34 -1.983 -11.564 1.347 915 HG3 LYS 34 HG1 LYS 34 -1.609 -11.120 -0.325 916 HD2 LYS 34 HD2 LYS 34 0.389 -11.222 1.934 917 HD3 LYS 34 HD1 LYS 34 0.197 -12.459 0.689 918 HE2 LYS 34 HE2 LYS 34 0.978 -11.034 -1.001 919 HE3 LYS 34 HE1 LYS 34 0.748 -9.589 -0.029 920 HZ1 LYS 34 HZ1 LYS 34 3.000 -10.145 -0.239 921 HZ2 LYS 34 HZ2 LYS 34 2.768 -11.681 0.485 922 HZ3 LYS 34 HZ3 LYS 34 2.502 -10.243 1.372 923 H ILE 35 HN ILE 35 -3.482 -8.023 3.290 924 HA ILE 35 HA ILE 35 -2.442 -5.382 2.660 925 HB ILE 35 HB ILE 35 -4.269 -6.261 4.946 926 HG12 ILE 35 HG12 ILE 35 -5.844 -4.503 3.947 927 HG13 ILE 35 HG11 ILE 35 -4.802 -4.502 2.536 928 HG21 ILE 35 HG21 ILE 35 -2.735 -4.590 5.760 929 HG22 ILE 35 HG22 ILE 35 -4.358 -3.904 5.630 930 HG23 ILE 35 HG23 ILE 35 -3.139 -3.526 4.413 931 HD11 ILE 35 HD11 ILE 35 -6.778 -5.877 2.197 932 HD12 ILE 35 HD12 ILE 35 -6.339 -6.846 3.608 933 HD13 ILE 35 HD13 ILE 35 -5.316 -6.867 2.170 934 H ASP 36 HN ASP 36 -0.320 -5.548 2.993 935 HA ASP 36 HA ASP 36 0.580 -6.774 5.489 936 HB2 ASP 36 HB2 ASP 36 1.994 -6.252 2.874 937 HB3 ASP 36 HB1 ASP 36 2.952 -6.365 4.353 938 H LEU 37 HN LEU 37 1.713 -5.509 7.083 939 HA LEU 37 HA LEU 37 1.384 -2.752 6.624 940 HB2 LEU 37 HB2 LEU 37 0.290 -4.118 8.511 941 HB3 LEU 37 HB1 LEU 37 1.921 -4.274 9.126 942 HG LEU 37 HG LEU 37 0.556 -2.571 10.273 943 HD11 LEU 37 HD11 LEU 37 2.289 -0.830 10.284 944 HD12 LEU 37 HD12 LEU 37 2.982 -1.656 8.850 945 HD13 LEU 37 HD13 LEU 37 2.910 -2.495 10.384 946 HD21 LEU 37 HD21 LEU 37 -0.628 -1.869 8.268 947 HD22 LEU 37 HD22 LEU 37 0.826 -0.998 7.734 948 HD23 LEU 37 HD23 LEU 37 0.003 -0.529 9.223 949 H VAL 38 HN VAL 38 3.079 -1.580 6.590 950 HA VAL 38 HA VAL 38 5.737 -2.477 7.454 951 HB VAL 38 HB VAL 38 5.265 -1.506 4.601 952 HG11 VAL 38 HG11 VAL 38 7.662 -1.846 4.239 953 HG12 VAL 38 HG12 VAL 38 7.850 -2.272 5.935 954 HG13 VAL 38 HG13 VAL 38 7.352 -0.637 5.488 955 HG21 VAL 38 HG21 VAL 38 6.130 -3.697 3.879 956 HG22 VAL 38 HG22 VAL 38 4.661 -3.870 4.843 957 HG23 VAL 38 HG23 VAL 38 6.231 -4.207 5.564 958 H ASP 39 HN ASP 39 6.473 -0.875 8.660 959 HA ASP 39 HA ASP 39 7.088 1.143 9.488 960 HB2 ASP 39 HB2 ASP 39 6.799 2.091 6.644 961 HB3 ASP 39 HB1 ASP 39 7.519 3.022 7.943 962 H GLY 40 HN GLY 40 4.166 0.582 9.165 963 HA2 GLY 40 HA2 GLY 40 2.369 1.788 10.058 964 HA3 GLY 40 HA1 GLY 40 3.344 3.247 9.961 965 H LYS 41 HN LYS 41 3.321 1.512 6.996 966 HA LYS 41 HA LYS 41 0.933 2.960 6.216 967 HB2 LYS 41 HB2 LYS 41 1.782 3.330 3.943 968 HB3 LYS 41 HB1 LYS 41 2.818 4.097 5.120 969 HG2 LYS 41 HG2 LYS 41 3.635 1.400 4.268 970 HG3 LYS 41 HG1 LYS 41 3.682 2.639 3.016 971 HD2 LYS 41 HD2 LYS 41 5.054 4.031 4.555 972 HD3 LYS 41 HD1 LYS 41 5.106 2.663 5.675 973 HE2 LYS 41 HE2 LYS 41 6.242 1.299 4.048 974 HE3 LYS 41 HE1 LYS 41 6.051 2.528 2.802 975 HZ1 LYS 41 HZ1 LYS 41 7.483 3.971 4.323 976 HZ2 LYS 41 HZ2 LYS 41 8.191 2.718 3.485 977 HZ3 LYS 41 HZ3 LYS 41 7.929 2.513 5.120 978 H LEU 42 HN LEU 42 -0.240 2.025 4.431 979 HA LEU 42 HA LEU 42 -0.388 -0.826 4.874 980 HB2 LEU 42 HB2 LEU 42 -2.204 1.150 3.562 981 HB3 LEU 42 HB1 LEU 42 -2.539 -0.576 3.576 982 HG LEU 42 HG LEU 42 -2.080 1.047 5.997 983 HD11 LEU 42 HD11 LEU 42 -4.727 0.310 4.654 984 HD12 LEU 42 HD12 LEU 42 -4.066 1.940 4.783 985 HD13 LEU 42 HD13 LEU 42 -4.605 1.092 6.229 986 HD21 LEU 42 HD21 LEU 42 -1.830 -1.305 6.377 987 HD22 LEU 42 HD22 LEU 42 -3.366 -1.639 5.582 988 HD23 LEU 42 HD23 LEU 42 -3.341 -0.783 7.121 989 H ILE 43 HN ILE 43 0.529 -2.043 3.663 990 HA ILE 43 HA ILE 43 1.241 -1.231 0.929 991 HB ILE 43 HB ILE 43 2.273 -3.557 2.499 992 HG12 ILE 43 HG12 ILE 43 2.781 -1.466 3.599 993 HG13 ILE 43 HG11 ILE 43 4.253 -2.285 3.036 994 HG21 ILE 43 HG21 ILE 43 3.374 -2.205 0.026 995 HG22 ILE 43 HG22 ILE 43 2.533 -3.748 0.071 996 HG23 ILE 43 HG23 ILE 43 4.114 -3.586 0.846 997 HD11 ILE 43 HD11 ILE 43 4.309 -0.711 1.151 998 HD12 ILE 43 HD12 ILE 43 4.397 0.113 2.709 999 HD13 ILE 43 HD13 ILE 43 2.886 0.107 1.801 1000 H ILE 44 HN ILE 44 -0.340 -1.760 -0.212 1001 HA ILE 44 HA ILE 44 -1.614 -4.367 0.120 1002 HB ILE 44 HB ILE 44 -2.637 -1.931 -1.363 1003 HG12 ILE 44 HG12 ILE 44 -3.593 -3.345 1.140 1004 HG13 ILE 44 HG11 ILE 44 -2.814 -1.774 1.068 1005 HG21 ILE 44 HG21 ILE 44 -3.944 -4.651 -1.098 1006 HG22 ILE 44 HG22 ILE 44 -3.296 -3.938 -2.579 1007 HG23 ILE 44 HG23 ILE 44 -4.691 -3.205 -1.792 1008 HD11 ILE 44 HD11 ILE 44 -4.743 -0.900 -0.181 1009 HD12 ILE 44 HD12 ILE 44 -5.189 -1.526 1.407 1010 HD13 ILE 44 HD13 ILE 44 -5.523 -2.477 -0.039 1011 H GLU 45 HN GLU 45 -0.675 -5.781 -0.894 1012 HA GLU 45 HA GLU 45 0.316 -5.398 -3.633 1013 HB2 GLU 45 HB2 GLU 45 2.120 -5.867 -2.113 1014 HB3 GLU 45 HB1 GLU 45 1.204 -7.096 -1.269 1015 HG2 GLU 45 HG2 GLU 45 1.496 -8.560 -3.244 1016 HG3 GLU 45 HG1 GLU 45 2.454 -7.268 -4.008 1017 HA PRO 46 HA PRO 46 -3.047 -8.139 -4.280 1018 HB2 PRO 46 HB2 PRO 46 -2.291 -8.809 -6.959 1019 HB3 PRO 46 HB1 PRO 46 -3.501 -7.638 -6.432 1020 HG2 PRO 46 HG2 PRO 46 -1.166 -7.104 -7.655 1021 HG3 PRO 46 HG1 PRO 46 -2.064 -5.881 -6.713 1022 HD2 PRO 46 HD2 PRO 46 0.279 -7.572 -6.005 1023 HD3 PRO 46 HD1 PRO 46 0.031 -5.909 -5.473 1024 H VAL 47 HN VAL 47 -3.393 -10.391 -5.113 1025 HA VAL 47 HA VAL 47 -1.040 -11.913 -4.260 1026 HB VAL 47 HB VAL 47 -3.860 -13.014 -4.222 1027 HG11 VAL 47 HG11 VAL 47 -2.040 -14.667 -4.303 1028 HG12 VAL 47 HG12 VAL 47 -2.906 -14.674 -2.740 1029 HG13 VAL 47 HG13 VAL 47 -1.346 -13.857 -2.879 1030 HG21 VAL 47 HG21 VAL 47 -2.280 -11.657 -2.099 1031 HG22 VAL 47 HG22 VAL 47 -3.545 -12.805 -1.709 1032 HG23 VAL 47 HG23 VAL 47 -3.953 -11.335 -2.609 1033 H ARG 48 HN ARG 48 0.001 -12.756 -5.744 1034 HA ARG 48 HA ARG 48 -1.066 -13.087 -8.361 1035 HB2 ARG 48 HB2 ARG 48 1.145 -14.001 -8.939 1036 HB3 ARG 48 HB1 ARG 48 1.253 -12.437 -8.146 1037 HG2 ARG 48 HG2 ARG 48 1.900 -13.504 -6.073 1038 HG3 ARG 48 HG1 ARG 48 1.704 -15.097 -6.813 1039 HD2 ARG 48 HD2 ARG 48 3.537 -12.999 -7.867 1040 HD3 ARG 48 HD1 ARG 48 4.068 -14.212 -6.685 1041 HE ARG 48 HE ARG 48 3.169 -15.794 -8.589 1042 HH11 ARG 48 HH11 ARG 48 5.060 -12.821 -9.037 1043 HH12 ARG 48 HH12 ARG 48 5.860 -13.383 -10.419 1044 HH21 ARG 48 HH21 ARG 48 4.210 -16.537 -10.458 1045 HH22 ARG 48 HH22 ARG 48 5.394 -15.580 -11.261 1046 H LYS 49 HN LYS 49 -1.206 -15.012 -9.465 1047 HA LYS 49 HA LYS 49 -1.795 -17.311 -7.752 1048 HB2 LYS 49 HB2 LYS 49 -2.903 -16.699 -10.499 1049 HB3 LYS 49 HB1 LYS 49 -3.474 -17.871 -9.328 1050 HG2 LYS 49 HG2 LYS 49 -3.676 -14.869 -8.980 1051 HG3 LYS 49 HG1 LYS 49 -4.969 -15.894 -9.589 1052 HD2 LYS 49 HD2 LYS 49 -5.145 -17.019 -7.437 1053 HD3 LYS 49 HD1 LYS 49 -3.731 -16.160 -6.826 1054 HE2 LYS 49 HE2 LYS 49 -5.787 -15.176 -5.981 1055 HE3 LYS 49 HE1 LYS 49 -4.886 -14.049 -6.980 1056 HZ1 LYS 49 HZ1 LYS 49 -6.431 -14.568 -8.820 1057 HZ2 LYS 49 HZ2 LYS 49 -7.177 -13.888 -7.483 1058 HZ3 LYS 49 HZ3 LYS 49 -7.337 -15.546 -7.777 1059 H GLU 50 HN GLU 50 -0.050 -18.395 -7.811 1060 HA GLU 50 HA GLU 50 1.633 -19.644 -8.452 1061 HB2 GLU 50 HB2 GLU 50 0.126 -20.571 -10.229 1062 HB3 GLU 50 HB1 GLU 50 0.652 -19.303 -11.310 1063 HG2 GLU 50 HG2 GLU 50 2.961 -20.190 -11.136 1064 HG3 GLU 50 HG1 GLU 50 2.330 -21.516 -10.164 Start of MODEL 17 1 H1 ASN -16 HT1 ASN -16 8.854 1.740 33.496 2 H2 ASN -16 HT2 ASN -16 8.260 0.254 32.990 3 H3 ASN -16 HT3 ASN -16 9.614 0.310 34.005 4 HA ASN -16 HA ASN -16 7.652 -0.338 35.206 5 HB2 ASN -16 HB2 ASN -16 9.293 1.033 36.434 6 HB3 ASN -16 HB1 ASN -16 8.479 2.494 35.875 7 HD21 ASN -16 HD21 ASN -16 7.842 3.234 37.896 8 HD22 ASN -16 HD22 ASN -16 6.676 2.399 38.855 9 H HIS -15 HN HIS -15 5.592 -0.481 34.670 10 HA HIS -15 HA HIS -15 4.190 1.752 33.570 11 HB2 HIS -15 HB2 HIS -15 3.231 -0.982 34.457 12 HB3 HIS -15 HB1 HIS -15 2.172 0.230 33.751 13 HD1 HIS -15 HD1 HIS -15 4.493 -2.460 32.832 14 HD2 HIS -15 HD2 HIS -15 2.836 0.888 31.031 15 HE1 HIS -15 HE1 HIS -15 4.852 -2.750 30.347 16 H LYS -14 HN LYS -14 3.855 3.386 34.774 17 HA LYS -14 HA LYS -14 3.342 3.056 37.623 18 HB2 LYS -14 HB2 LYS -14 5.109 4.619 37.029 19 HB3 LYS -14 HB1 LYS -14 4.007 5.525 36.009 20 HG2 LYS -14 HG2 LYS -14 4.362 6.712 38.079 21 HG3 LYS -14 HG1 LYS -14 2.697 6.140 38.001 22 HD2 LYS -14 HD2 LYS -14 3.313 4.238 39.450 23 HD3 LYS -14 HD1 LYS -14 4.958 4.868 39.553 24 HE2 LYS -14 HE2 LYS -14 3.695 5.505 41.529 25 HE3 LYS -14 HE1 LYS -14 4.090 6.931 40.575 26 HZ1 LYS -14 HZ1 LYS -14 1.822 7.064 41.313 27 HZ2 LYS -14 HZ2 LYS -14 1.447 5.555 40.715 28 HZ3 LYS -14 HZ3 LYS -14 1.784 6.815 39.655 29 H VAL -13 HN VAL -13 1.927 4.591 34.767 30 HA VAL -13 HA VAL -13 -0.345 5.626 36.171 31 HB VAL -13 HB VAL -13 -0.047 5.119 33.191 32 HG11 VAL -13 HG11 VAL -13 -1.898 6.964 34.694 33 HG12 VAL -13 HG12 VAL -13 -2.352 5.480 33.855 34 HG13 VAL -13 HG13 VAL -13 -1.751 6.864 32.939 35 HG21 VAL -13 HG21 VAL -13 0.594 7.582 34.787 36 HG22 VAL -13 HG22 VAL -13 0.599 7.490 33.026 37 HG23 VAL -13 HG23 VAL -13 1.760 6.547 33.967 38 H HIS -12 HN HIS -12 0.320 2.908 34.089 39 HA HIS -12 HA HIS -12 -2.298 1.795 34.727 40 HB2 HIS -12 HB2 HIS -12 -0.258 0.903 32.662 41 HB3 HIS -12 HB1 HIS -12 -1.838 0.179 32.916 42 HD1 HIS -12 HD1 HIS -12 -3.922 1.569 32.041 43 HD2 HIS -12 HD2 HIS -12 -0.209 3.221 31.177 44 HE1 HIS -12 HE1 HIS -12 -4.322 3.309 30.264 45 H HIS -11 HN HIS -11 -2.375 0.260 36.220 46 HA HIS -11 HA HIS -11 0.102 -0.858 37.263 47 HB2 HIS -11 HB2 HIS -11 -2.797 -1.085 38.131 48 HB3 HIS -11 HB1 HIS -11 -1.499 -1.964 38.920 49 HD1 HIS -11 HD1 HIS -11 -0.865 -0.820 41.048 50 HD2 HIS -11 HD2 HIS -11 -2.008 1.894 38.121 51 HE1 HIS -11 HE1 HIS -11 -0.710 1.448 42.112 52 H HIS -10 HN HIS -10 -0.287 -1.534 34.719 53 HA HIS -10 HA HIS -10 -0.808 -4.385 34.739 54 HB2 HIS -10 HB2 HIS -10 -2.952 -3.409 34.043 55 HB3 HIS -10 HB1 HIS -10 -2.124 -2.395 32.874 56 HD1 HIS -10 HD1 HIS -10 -2.137 -3.292 30.535 57 HD2 HIS -10 HD2 HIS -10 -2.560 -6.294 33.381 58 HE1 HIS -10 HE1 HIS -10 -2.503 -5.419 29.258 59 H HIS -9 HN HIS -9 0.772 -5.323 33.606 60 HA HIS -9 HA HIS -9 2.549 -3.673 32.047 61 HB2 HIS -9 HB2 HIS -9 3.920 -5.742 31.762 62 HB3 HIS -9 HB1 HIS -9 3.622 -5.377 33.449 63 HD1 HIS -9 HD1 HIS -9 3.467 -8.100 31.056 64 HD2 HIS -9 HD2 HIS -9 1.488 -7.077 34.547 65 HE1 HIS -9 HE1 HIS -9 2.415 -10.217 31.923 66 H HIS -8 HN HIS -8 2.229 -3.279 30.020 67 HA HIS -8 HA HIS -8 0.114 -4.521 28.585 68 HB2 HIS -8 HB2 HIS -8 2.223 -2.540 27.696 69 HB3 HIS -8 HB1 HIS -8 0.906 -3.088 26.667 70 HD1 HIS -8 HD1 HIS -8 -1.039 -1.439 26.655 71 HD2 HIS -8 HD2 HIS -8 1.082 -1.372 30.238 72 HE1 HIS -8 HE1 HIS -8 -2.111 0.315 28.076 73 H HIS -7 HN HIS -7 0.147 -6.037 27.105 74 HA HIS -7 HA HIS -7 2.619 -7.524 26.714 75 HB2 HIS -7 HB2 HIS -7 -0.260 -8.229 26.073 76 HB3 HIS -7 HB1 HIS -7 1.117 -9.277 25.775 77 HD1 HIS -7 HD1 HIS -7 -1.114 -8.045 28.530 78 HD2 HIS -7 HD2 HIS -7 2.215 -10.485 28.033 79 HE1 HIS -7 HE1 HIS -7 -0.847 -9.300 30.681 80 H MET -6 HN MET -6 3.398 -7.976 24.677 81 HA MET -6 HA MET -6 2.195 -6.462 22.490 82 HB2 MET -6 HB2 MET -6 5.145 -6.743 23.104 83 HB3 MET -6 HB1 MET -6 4.488 -6.026 21.645 84 HG2 MET -6 HG2 MET -6 3.413 -4.287 23.026 85 HG3 MET -6 HG1 MET -6 4.180 -4.990 24.450 86 HE1 MET -6 HE1 MET -6 4.712 -3.087 21.053 87 HE2 MET -6 HE2 MET -6 5.657 -4.558 20.795 88 HE3 MET -6 HE3 MET -6 6.470 -3.010 20.953 89 H SER -5 HN SER -5 1.374 -8.005 21.282 90 HA SER -5 HA SER -5 3.186 -9.992 20.179 91 HB2 SER -5 HB2 SER -5 0.455 -10.671 21.340 92 HB3 SER -5 HB1 SER -5 1.534 -11.796 20.510 93 HG SER -5 HG SER -5 2.874 -10.534 22.416 94 H ASP -4 HN ASP -4 1.729 -7.473 19.499 95 HA ASP -4 HA ASP -4 -0.283 -8.209 17.533 96 HB2 ASP -4 HB2 ASP -4 -0.731 -6.294 18.942 97 HB3 ASP -4 HB1 ASP -4 0.784 -5.543 18.461 98 H ASP -3 HN ASP -3 2.977 -7.476 17.642 99 HA ASP -3 HA ASP -3 3.294 -6.233 15.088 100 HB2 ASP -3 HB2 ASP -3 5.310 -7.302 17.036 101 HB3 ASP -3 HB1 ASP -3 5.777 -6.677 15.465 102 H ASP -2 HN ASP -2 3.202 -9.556 15.952 103 HA ASP -2 HA ASP -2 4.865 -10.428 13.803 104 HB2 ASP -2 HB2 ASP -2 4.643 -11.898 15.691 105 HB3 ASP -2 HB1 ASP -2 2.908 -12.029 15.443 106 H ASP -1 HN ASP -1 1.328 -10.697 14.185 107 HA ASP -1 HA ASP -1 1.139 -11.472 11.402 108 HB2 ASP -1 HB2 ASP -1 -0.342 -12.545 13.102 109 HB3 ASP -1 HB1 ASP -1 -1.109 -10.983 13.372 110 H LYS 0 HN LYS 0 1.579 -9.856 10.113 111 HA LYS 0 HA LYS 0 0.027 -7.375 10.469 112 HB2 LYS 0 HB2 LYS 0 1.900 -6.122 9.629 113 HB3 LYS 0 HB1 LYS 0 2.423 -7.109 10.985 114 HG2 LYS 0 HG2 LYS 0 3.325 -8.762 9.377 115 HG3 LYS 0 HG1 LYS 0 2.907 -7.655 8.066 116 HD2 LYS 0 HD2 LYS 0 4.326 -5.931 9.241 117 HD3 LYS 0 HD1 LYS 0 4.877 -7.238 10.294 118 HE2 LYS 0 HE2 LYS 0 6.467 -6.928 8.516 119 HE3 LYS 0 HE1 LYS 0 5.644 -8.477 8.316 120 HZ1 LYS 0 HZ1 LYS 0 4.929 -5.981 6.873 121 HZ2 LYS 0 HZ2 LYS 0 4.258 -7.490 6.554 122 HZ3 LYS 0 HZ3 LYS 0 5.889 -7.204 6.239 123 H GLY 1 HN GLY 1 0.251 -10.031 8.591 124 HA2 GLY 1 HA2 GLY 1 -0.263 -8.580 6.083 125 HA3 GLY 1 HA1 GLY 1 0.291 -10.249 6.190 126 H ILE 2 HN ILE 2 -2.380 -8.192 6.083 127 HA ILE 2 HA ILE 2 -4.246 -10.243 7.008 128 HB ILE 2 HB ILE 2 -4.689 -7.324 6.305 129 HG12 ILE 2 HG12 ILE 2 -4.530 -8.659 9.018 130 HG13 ILE 2 HG11 ILE 2 -3.260 -7.679 8.300 131 HG21 ILE 2 HG21 ILE 2 -6.724 -8.658 5.994 132 HG22 ILE 2 HG22 ILE 2 -6.879 -7.593 7.389 133 HG23 ILE 2 HG23 ILE 2 -6.558 -9.308 7.628 134 HD11 ILE 2 HD11 ILE 2 -4.745 -5.743 8.342 135 HD12 ILE 2 HD12 ILE 2 -4.523 -6.432 9.950 136 HD13 ILE 2 HD13 ILE 2 -6.012 -6.739 9.055 137 H HIS 3 HN HIS 3 -5.505 -11.299 5.608 138 HA HIS 3 HA HIS 3 -5.263 -10.572 2.793 139 HB2 HIS 3 HB2 HIS 3 -6.175 -13.143 4.088 140 HB3 HIS 3 HB1 HIS 3 -6.104 -12.870 2.353 141 HD1 HIS 3 HD1 HIS 3 -4.077 -14.019 5.193 142 HD2 HIS 3 HD2 HIS 3 -3.403 -12.455 1.409 143 HE1 HIS 3 HE1 HIS 3 -1.682 -14.574 4.631 144 H SER 4 HN SER 4 -6.972 -10.039 1.649 145 HA SER 4 HA SER 4 -9.663 -10.465 2.549 146 HB2 SER 4 HB2 SER 4 -8.383 -7.774 2.387 147 HB3 SER 4 HB1 SER 4 -10.104 -7.906 2.136 148 HG SER 4 HG SER 4 -9.000 -9.210 4.329 149 H SER 5 HN SER 5 -10.846 -8.697 0.654 150 HA SER 5 HA SER 5 -9.561 -9.341 -1.825 151 HB2 SER 5 HB2 SER 5 -11.715 -10.318 -2.698 152 HB3 SER 5 HB1 SER 5 -10.896 -11.327 -1.508 153 HG SER 5 HG SER 5 -12.358 -10.845 -0.033 154 H VAL 6 HN VAL 6 -10.409 -8.132 -3.533 155 HA VAL 6 HA VAL 6 -11.395 -5.556 -2.741 156 HB VAL 6 HB VAL 6 -11.054 -6.672 -5.537 157 HG11 VAL 6 HG11 VAL 6 -12.469 -4.695 -5.449 158 HG12 VAL 6 HG12 VAL 6 -10.921 -4.322 -6.208 159 HG13 VAL 6 HG13 VAL 6 -11.225 -3.832 -4.544 160 HG21 VAL 6 HG21 VAL 6 -8.978 -6.799 -4.365 161 HG22 VAL 6 HG22 VAL 6 -9.166 -5.134 -3.807 162 HG23 VAL 6 HG23 VAL 6 -8.906 -5.465 -5.530 163 H LYS 7 HN LYS 7 -13.449 -5.087 -2.549 164 HA LYS 7 HA LYS 7 -15.356 -6.760 -3.957 165 HB2 LYS 7 HB2 LYS 7 -15.525 -5.513 -1.209 166 HB3 LYS 7 HB1 LYS 7 -16.953 -6.095 -2.090 167 HG2 LYS 7 HG2 LYS 7 -14.608 -7.825 -1.401 168 HG3 LYS 7 HG1 LYS 7 -16.043 -7.647 -0.383 169 HD2 LYS 7 HD2 LYS 7 -17.360 -8.178 -2.477 170 HD3 LYS 7 HD1 LYS 7 -15.842 -8.744 -3.160 171 HE2 LYS 7 HE2 LYS 7 -16.904 -9.788 -0.541 172 HE3 LYS 7 HE1 LYS 7 -17.296 -10.533 -2.085 173 HZ1 LYS 7 HZ1 LYS 7 -14.480 -10.220 -1.108 174 HZ2 LYS 7 HZ2 LYS 7 -15.083 -11.118 -2.432 175 HZ3 LYS 7 HZ3 LYS 7 -15.463 -11.568 -0.878 176 H ARG 8 HN ARG 8 -17.502 -5.494 -4.239 177 HA ARG 8 HA ARG 8 -16.677 -3.031 -5.630 178 HB2 ARG 8 HB2 ARG 8 -17.559 -4.971 -6.929 179 HB3 ARG 8 HB1 ARG 8 -19.123 -4.648 -6.182 180 HG2 ARG 8 HG2 ARG 8 -19.084 -2.385 -7.097 181 HG3 ARG 8 HG1 ARG 8 -17.545 -2.738 -7.889 182 HD2 ARG 8 HD2 ARG 8 -20.031 -4.242 -8.190 183 HD3 ARG 8 HD1 ARG 8 -19.559 -2.992 -9.369 184 HE ARG 8 HE ARG 8 -17.815 -5.296 -8.825 185 HH11 ARG 8 HH11 ARG 8 -19.926 -3.650 -11.153 186 HH12 ARG 8 HH12 ARG 8 -19.447 -4.612 -12.476 187 HH21 ARG 8 HH21 ARG 8 -17.127 -6.610 -10.697 188 HH22 ARG 8 HH22 ARG 8 -17.800 -6.293 -12.211 189 H TRP 9 HN TRP 9 -17.223 -1.218 -4.760 190 HA TRP 9 HA TRP 9 -19.636 -0.956 -3.080 191 HB2 TRP 9 HB2 TRP 9 -17.168 -0.388 -2.274 192 HB3 TRP 9 HB1 TRP 9 -17.348 0.976 -3.342 193 HD1 TRP 9 HD1 TRP 9 -20.643 0.612 -1.743 194 HE1 TRP 9 HE1 TRP 9 -20.847 2.093 0.279 195 HE3 TRP 9 HE3 TRP 9 -15.632 2.028 -0.989 196 HZ2 TRP 9 HZ2 TRP 9 -19.316 3.688 1.879 197 HZ3 TRP 9 HZ3 TRP 9 -15.231 3.481 0.789 198 HH2 TRP 9 HH2 TRP 9 -17.031 4.284 2.252 199 H GLY 10 HN GLY 10 -21.194 -0.580 -4.589 200 HA2 GLY 10 HA2 GLY 10 -22.372 0.624 -6.121 201 HA3 GLY 10 HA1 GLY 10 -21.077 1.836 -6.122 202 H ASN 11 HN ASN 11 -20.496 1.999 -8.200 203 HA ASN 11 HA ASN 11 -19.899 -0.471 -9.654 204 HB2 ASN 11 HB2 ASN 11 -19.507 0.991 -11.630 205 HB3 ASN 11 HB1 ASN 11 -21.115 1.178 -10.961 206 HD21 ASN 11 HD21 ASN 11 -21.104 3.139 -12.179 207 HD22 ASN 11 HD22 ASN 11 -20.394 4.581 -11.549 208 H SER 12 HN SER 12 -18.138 0.652 -7.313 209 HA SER 12 HA SER 12 -15.749 1.003 -8.871 210 HB2 SER 12 HB2 SER 12 -16.555 2.492 -6.383 211 HB3 SER 12 HB1 SER 12 -15.057 2.678 -7.332 212 HG SER 12 HG SER 12 -17.362 2.996 -8.798 213 HA PRO 13 HA PRO 13 -14.401 -2.251 -6.077 214 HB2 PRO 13 HB2 PRO 13 -11.713 -1.914 -6.608 215 HB3 PRO 13 HB1 PRO 13 -12.814 -2.889 -7.580 216 HG2 PRO 13 HG2 PRO 13 -11.742 -0.172 -8.101 217 HG3 PRO 13 HG1 PRO 13 -12.222 -1.450 -9.232 218 HD2 PRO 13 HD2 PRO 13 -13.732 0.780 -8.671 219 HD3 PRO 13 HD1 PRO 13 -14.386 -0.733 -9.305 220 H ALA 14 HN ALA 14 -13.937 -2.206 -3.918 221 HA ALA 14 HA ALA 14 -12.206 -0.101 -2.934 222 HB1 ALA 14 HB1 ALA 14 -14.892 -0.825 -1.759 223 HB2 ALA 14 HB2 ALA 14 -14.483 0.685 -2.569 224 HB3 ALA 14 HB3 ALA 14 -13.720 0.274 -1.034 225 H VAL 15 HN VAL 15 -11.002 -0.699 -1.215 226 HA VAL 15 HA VAL 15 -11.059 -3.543 -0.539 227 HB VAL 15 HB VAL 15 -8.782 -1.527 -0.281 228 HG11 VAL 15 HG11 VAL 15 -8.724 -3.129 1.587 229 HG12 VAL 15 HG12 VAL 15 -7.390 -3.412 0.469 230 HG13 VAL 15 HG13 VAL 15 -8.801 -4.468 0.441 231 HG21 VAL 15 HG21 VAL 15 -7.654 -2.909 -1.941 232 HG22 VAL 15 HG22 VAL 15 -9.208 -2.350 -2.573 233 HG23 VAL 15 HG23 VAL 15 -9.037 -3.999 -1.986 234 H ARG 16 HN ARG 16 -11.487 -4.142 1.477 235 HA ARG 16 HA ARG 16 -12.540 -2.164 3.284 236 HB2 ARG 16 HB2 ARG 16 -13.556 -4.435 2.710 237 HB3 ARG 16 HB1 ARG 16 -12.233 -5.096 3.672 238 HG2 ARG 16 HG2 ARG 16 -12.982 -3.812 5.587 239 HG3 ARG 16 HG1 ARG 16 -14.349 -3.238 4.624 240 HD2 ARG 16 HD2 ARG 16 -15.105 -5.542 4.308 241 HD3 ARG 16 HD1 ARG 16 -13.738 -6.101 5.283 242 HE ARG 16 HE ARG 16 -15.746 -4.262 6.350 243 HH11 ARG 16 HH11 ARG 16 -14.209 -7.465 6.542 244 HH12 ARG 16 HH12 ARG 16 -14.727 -7.787 8.118 245 HH21 ARG 16 HH21 ARG 16 -16.495 -4.727 8.534 246 HH22 ARG 16 HH22 ARG 16 -16.104 -6.204 9.281 247 H ILE 17 HN ILE 17 -11.433 -1.448 5.061 248 HA ILE 17 HA ILE 17 -8.944 -2.784 5.785 249 HB ILE 17 HB ILE 17 -9.700 0.145 5.805 250 HG12 ILE 17 HG12 ILE 17 -7.299 0.327 4.911 251 HG13 ILE 17 HG11 ILE 17 -7.423 -1.425 4.729 252 HG21 ILE 17 HG21 ILE 17 -8.870 -0.227 8.033 253 HG22 ILE 17 HG22 ILE 17 -7.768 0.741 7.029 254 HG23 ILE 17 HG23 ILE 17 -7.398 -0.959 7.353 255 HD11 ILE 17 HD11 ILE 17 -7.866 -0.170 2.693 256 HD12 ILE 17 HD12 ILE 17 -9.268 0.547 3.529 257 HD13 ILE 17 HD13 ILE 17 -9.202 -1.200 3.228 258 HA PRO 18 HA PRO 18 -10.978 -3.680 9.655 259 HB2 PRO 18 HB2 PRO 18 -8.412 -3.982 10.961 260 HB3 PRO 18 HB1 PRO 18 -9.582 -5.224 10.538 261 HG2 PRO 18 HG2 PRO 18 -7.116 -4.857 9.329 262 HG3 PRO 18 HG1 PRO 18 -8.466 -5.782 8.665 263 HD2 PRO 18 HD2 PRO 18 -7.448 -3.119 7.918 264 HD3 PRO 18 HD1 PRO 18 -8.383 -4.289 6.965 265 H ALA 19 HN ALA 19 -11.606 -2.438 11.305 266 HA ALA 19 HA ALA 19 -10.824 0.223 11.601 267 HB1 ALA 19 HB1 ALA 19 -13.007 -0.640 12.308 268 HB2 ALA 19 HB2 ALA 19 -12.202 0.244 13.605 269 HB3 ALA 19 HB3 ALA 19 -12.228 -1.521 13.623 270 H THR 20 HN THR 20 -9.582 -2.675 13.066 271 HA THR 20 HA THR 20 -8.233 -1.729 15.262 272 HB THR 20 HB THR 20 -7.138 -3.829 13.424 273 HG1 THR 20 HG1 THR 20 -8.770 -5.191 14.416 274 HG21 THR 20 HG21 THR 20 -6.726 -4.961 15.569 275 HG22 THR 20 HG22 THR 20 -7.513 -3.638 16.426 276 HG23 THR 20 HG23 THR 20 -5.997 -3.355 15.564 277 H LEU 21 HN LEU 21 -7.285 -1.800 11.818 278 HA LEU 21 HA LEU 21 -4.625 -0.854 12.342 279 HB2 LEU 21 HB2 LEU 21 -6.194 -1.466 9.887 280 HB3 LEU 21 HB1 LEU 21 -4.755 -0.478 9.754 281 HG LEU 21 HG LEU 21 -4.505 -2.860 9.279 282 HD11 LEU 21 HD11 LEU 21 -2.882 -1.735 11.598 283 HD12 LEU 21 HD12 LEU 21 -2.564 -1.444 9.889 284 HD13 LEU 21 HD13 LEU 21 -2.342 -3.060 10.568 285 HD21 LEU 21 HD21 LEU 21 -5.888 -3.856 10.971 286 HD22 LEU 21 HD22 LEU 21 -4.930 -3.081 12.225 287 HD23 LEU 21 HD23 LEU 21 -4.219 -4.397 11.272 288 H MET 22 HN MET 22 -7.557 0.416 11.287 289 HA MET 22 HA MET 22 -6.871 3.071 10.723 290 HB2 MET 22 HB2 MET 22 -9.309 2.001 12.125 291 HB3 MET 22 HB1 MET 22 -9.180 3.645 11.529 292 HG2 MET 22 HG2 MET 22 -8.913 1.214 9.778 293 HG3 MET 22 HG1 MET 22 -10.436 2.044 10.095 294 HE1 MET 22 HE1 MET 22 -9.649 4.997 10.240 295 HE2 MET 22 HE2 MET 22 -11.043 4.363 9.379 296 HE3 MET 22 HE3 MET 22 -9.949 5.502 8.576 297 H GLN 23 HN GLN 23 -7.802 1.680 13.736 298 HA GLN 23 HA GLN 23 -7.171 3.844 15.416 299 HB2 GLN 23 HB2 GLN 23 -7.154 0.903 16.004 300 HB3 GLN 23 HB1 GLN 23 -7.039 2.186 17.201 301 HG2 GLN 23 HG2 GLN 23 -9.178 3.027 16.464 302 HG3 GLN 23 HG1 GLN 23 -9.322 1.705 15.316 303 HE21 GLN 23 HE21 GLN 23 -9.688 -0.379 16.059 304 HE22 GLN 23 HE22 GLN 23 -10.228 -0.703 17.674 305 H ALA 24 HN ALA 24 -5.209 1.295 14.095 306 HA ALA 24 HA ALA 24 -3.007 1.662 15.915 307 HB1 ALA 24 HB1 ALA 24 -3.370 -0.471 14.730 308 HB2 ALA 24 HB2 ALA 24 -1.744 0.159 14.473 309 HB3 ALA 24 HB3 ALA 24 -2.963 0.325 13.207 310 H LEU 25 HN LEU 25 -3.756 2.817 12.754 311 HA LEU 25 HA LEU 25 -1.237 4.261 12.532 312 HB2 LEU 25 HB2 LEU 25 -3.540 3.948 10.656 313 HB3 LEU 25 HB1 LEU 25 -2.064 4.819 10.284 314 HG LEU 25 HG LEU 25 -2.106 1.893 11.016 315 HD11 LEU 25 HD11 LEU 25 -1.829 1.508 8.619 316 HD12 LEU 25 HD12 LEU 25 -2.105 3.247 8.353 317 HD13 LEU 25 HD13 LEU 25 -3.386 2.242 9.028 318 HD21 LEU 25 HD21 LEU 25 -0.035 3.660 9.722 319 HD22 LEU 25 HD22 LEU 25 0.117 1.925 9.982 320 HD23 LEU 25 HD23 LEU 25 0.035 3.017 11.365 321 H ASN 26 HN ASN 26 -4.257 4.739 13.742 322 HA ASN 26 HA ASN 26 -5.465 6.389 14.518 323 HB2 ASN 26 HB2 ASN 26 -3.461 6.980 15.796 324 HB3 ASN 26 HB1 ASN 26 -2.875 7.967 14.467 325 HD21 ASN 26 HD21 ASN 26 -3.595 10.022 14.284 326 HD22 ASN 26 HD22 ASN 26 -4.707 10.791 15.354 327 H LEU 27 HN LEU 27 -6.423 6.120 12.289 328 HA LEU 27 HA LEU 27 -6.924 8.802 11.417 329 HB2 LEU 27 HB2 LEU 27 -7.352 7.963 9.248 330 HB3 LEU 27 HB1 LEU 27 -5.645 7.818 9.659 331 HG LEU 27 HG LEU 27 -7.497 5.458 9.880 332 HD11 LEU 27 HD11 LEU 27 -6.071 6.399 7.408 333 HD12 LEU 27 HD12 LEU 27 -7.798 6.540 7.746 334 HD13 LEU 27 HD13 LEU 27 -7.071 4.929 7.595 335 HD21 LEU 27 HD21 LEU 27 -5.225 5.286 10.767 336 HD22 LEU 27 HD22 LEU 27 -4.572 5.773 9.204 337 HD23 LEU 27 HD23 LEU 27 -5.442 4.244 9.360 338 H ASN 28 HN ASN 28 -9.152 8.891 10.382 339 HA ASN 28 HA ASN 28 -10.939 6.830 11.409 340 HB2 ASN 28 HB2 ASN 28 -11.282 9.829 11.790 341 HB3 ASN 28 HB1 ASN 28 -12.566 8.658 12.053 342 HD21 ASN 28 HD21 ASN 28 -9.698 10.077 13.300 343 HD22 ASN 28 HD22 ASN 28 -9.741 9.357 14.855 344 H ILE 29 HN ILE 29 -13.311 7.897 10.486 345 HA ILE 29 HA ILE 29 -13.021 7.507 7.681 346 HB ILE 29 HB ILE 29 -15.458 8.411 9.276 347 HG12 ILE 29 HG12 ILE 29 -14.671 6.196 9.976 348 HG13 ILE 29 HG11 ILE 29 -16.206 6.076 9.125 349 HG21 ILE 29 HG21 ILE 29 -15.672 8.992 6.903 350 HG22 ILE 29 HG22 ILE 29 -16.807 7.722 7.366 351 HG23 ILE 29 HG23 ILE 29 -15.348 7.311 6.470 352 HD11 ILE 29 HD11 ILE 29 -13.479 5.438 8.017 353 HD12 ILE 29 HD12 ILE 29 -14.990 5.354 7.115 354 HD13 ILE 29 HD13 ILE 29 -14.725 4.279 8.488 355 H ASP 30 HN ASP 30 -13.102 8.932 6.080 356 HA ASP 30 HA ASP 30 -13.042 10.732 4.894 357 HB2 ASP 30 HB2 ASP 30 -14.293 12.023 7.239 358 HB3 ASP 30 HB1 ASP 30 -13.516 13.082 6.065 359 H ASP 31 HN ASP 31 -10.852 9.889 6.899 360 HA ASP 31 HA ASP 31 -9.173 12.180 6.645 361 HB2 ASP 31 HB2 ASP 31 -8.676 9.341 7.532 362 HB3 ASP 31 HB1 ASP 31 -7.327 10.407 7.171 363 H GLU 32 HN GLU 32 -8.139 12.736 4.979 364 HA GLU 32 HA GLU 32 -8.301 11.369 2.551 365 HB2 GLU 32 HB2 GLU 32 -8.212 13.738 2.559 366 HB3 GLU 32 HB1 GLU 32 -6.719 13.787 3.468 367 HG2 GLU 32 HG2 GLU 32 -5.544 12.838 1.570 368 HG3 GLU 32 HG1 GLU 32 -7.060 12.722 0.675 369 H VAL 33 HN VAL 33 -6.845 10.113 1.526 370 HA VAL 33 HA VAL 33 -4.403 9.521 2.985 371 HB VAL 33 HB VAL 33 -4.562 7.161 2.729 372 HG11 VAL 33 HG11 VAL 33 -6.520 6.570 3.965 373 HG12 VAL 33 HG12 VAL 33 -7.273 8.065 3.428 374 HG13 VAL 33 HG13 VAL 33 -5.871 8.137 4.541 375 HG21 VAL 33 HG21 VAL 33 -5.533 7.073 0.499 376 HG22 VAL 33 HG22 VAL 33 -7.105 7.545 1.185 377 HG23 VAL 33 HG23 VAL 33 -6.378 6.000 1.617 378 H LYS 34 HN LYS 34 -2.743 8.756 1.830 379 HA LYS 34 HA LYS 34 -2.699 9.540 -0.981 380 HB2 LYS 34 HB2 LYS 34 -0.617 9.033 1.099 381 HB3 LYS 34 HB1 LYS 34 -0.199 8.973 -0.605 382 HG2 LYS 34 HG2 LYS 34 -0.777 11.251 -0.909 383 HG3 LYS 34 HG1 LYS 34 -1.512 11.344 0.688 384 HD2 LYS 34 HD2 LYS 34 0.800 12.361 0.459 385 HD3 LYS 34 HD1 LYS 34 0.583 11.214 1.780 386 HE2 LYS 34 HE2 LYS 34 2.698 10.884 0.671 387 HE3 LYS 34 HE1 LYS 34 1.659 9.485 0.457 388 HZ1 LYS 34 HZ1 LYS 34 2.750 9.976 -1.663 389 HZ2 LYS 34 HZ2 LYS 34 2.286 11.573 -1.576 390 HZ3 LYS 34 HZ3 LYS 34 1.140 10.416 -1.854 391 H ILE 35 HN ILE 35 -3.255 7.968 -2.342 392 HA ILE 35 HA ILE 35 -2.283 5.257 -1.857 393 HB ILE 35 HB ILE 35 -4.091 6.269 -4.104 394 HG12 ILE 35 HG12 ILE 35 -5.852 4.753 -2.957 395 HG13 ILE 35 HG11 ILE 35 -4.821 4.859 -1.542 396 HG21 ILE 35 HG21 ILE 35 -3.359 3.452 -3.359 397 HG22 ILE 35 HG22 ILE 35 -2.815 4.349 -4.776 398 HG23 ILE 35 HG23 ILE 35 -4.517 3.916 -4.608 399 HD11 ILE 35 HD11 ILE 35 -5.115 7.279 -1.514 400 HD12 ILE 35 HD12 ILE 35 -6.646 6.414 -1.425 401 HD13 ILE 35 HD13 ILE 35 -6.142 7.166 -2.943 402 H ASP 36 HN ASP 36 -0.190 5.310 -2.379 403 HA ASP 36 HA ASP 36 0.628 6.732 -4.857 404 HB2 ASP 36 HB2 ASP 36 1.638 7.000 -2.259 405 HB3 ASP 36 HB1 ASP 36 2.727 5.848 -3.001 406 H LEU 37 HN LEU 37 1.408 5.350 -6.551 407 HA LEU 37 HA LEU 37 1.557 2.615 -5.967 408 HB2 LEU 37 HB2 LEU 37 0.533 3.799 -8.036 409 HB3 LEU 37 HB1 LEU 37 2.202 4.117 -8.464 410 HG LEU 37 HG LEU 37 1.263 2.258 -9.729 411 HD11 LEU 37 HD11 LEU 37 3.065 0.650 -9.356 412 HD12 LEU 37 HD12 LEU 37 3.427 1.576 -7.864 413 HD13 LEU 37 HD13 LEU 37 3.560 2.358 -9.423 414 HD21 LEU 37 HD21 LEU 37 0.701 0.173 -8.703 415 HD22 LEU 37 HD22 LEU 37 -0.247 1.493 -7.971 416 HD23 LEU 37 HD23 LEU 37 1.134 0.817 -7.116 417 H VAL 38 HN VAL 38 3.328 1.713 -5.634 418 HA VAL 38 HA VAL 38 5.953 2.887 -6.236 419 HB VAL 38 HB VAL 38 5.226 2.097 -3.400 420 HG11 VAL 38 HG11 VAL 38 7.480 2.923 -2.780 421 HG12 VAL 38 HG12 VAL 38 7.859 3.085 -4.496 422 HG13 VAL 38 HG13 VAL 38 7.497 1.498 -3.808 423 HG21 VAL 38 HG21 VAL 38 5.668 4.453 -2.783 424 HG22 VAL 38 HG22 VAL 38 4.317 4.296 -3.902 425 HG23 VAL 38 HG23 VAL 38 5.885 4.843 -4.490 426 H ASP 39 HN ASP 39 7.095 1.353 -7.138 427 HA ASP 39 HA ASP 39 8.136 -0.579 -7.620 428 HB2 ASP 39 HB2 ASP 39 8.842 -0.313 -5.230 429 HB3 ASP 39 HB1 ASP 39 7.515 -1.370 -4.753 430 H GLY 40 HN GLY 40 5.395 -0.345 -8.166 431 HA2 GLY 40 HA2 GLY 40 3.992 -1.735 -9.378 432 HA3 GLY 40 HA1 GLY 40 4.880 -3.120 -8.770 433 H LYS 41 HN LYS 41 4.015 -1.276 -6.094 434 HA LYS 41 HA LYS 41 1.429 -2.601 -5.998 435 HB2 LYS 41 HB2 LYS 41 1.715 -3.019 -3.553 436 HB3 LYS 41 HB1 LYS 41 2.756 -3.986 -4.580 437 HG2 LYS 41 HG2 LYS 41 3.908 -1.488 -3.497 438 HG3 LYS 41 HG1 LYS 41 3.547 -2.756 -2.328 439 HD2 LYS 41 HD2 LYS 41 4.876 -4.335 -3.758 440 HD3 LYS 41 HD1 LYS 41 5.341 -2.954 -4.752 441 HE2 LYS 41 HE2 LYS 41 6.452 -1.911 -2.894 442 HE3 LYS 41 HE1 LYS 41 5.821 -3.119 -1.778 443 HZ1 LYS 41 HZ1 LYS 41 7.127 -4.794 -2.984 444 HZ2 LYS 41 HZ2 LYS 41 8.071 -3.654 -2.249 445 HZ3 LYS 41 HZ3 LYS 41 7.859 -3.589 -3.921 446 H LEU 42 HN LEU 42 0.000 -1.718 -4.239 447 HA LEU 42 HA LEU 42 0.165 1.173 -4.473 448 HB2 LEU 42 HB2 LEU 42 -2.110 -0.651 -3.708 449 HB3 LEU 42 HB1 LEU 42 -2.222 1.092 -3.622 450 HG LEU 42 HG LEU 42 -1.515 -0.277 -6.149 451 HD11 LEU 42 HD11 LEU 42 -3.974 -0.279 -6.706 452 HD12 LEU 42 HD12 LEU 42 -4.318 0.296 -5.077 453 HD13 LEU 42 HD13 LEU 42 -3.633 -1.312 -5.318 454 HD21 LEU 42 HD21 LEU 42 -1.307 2.174 -6.227 455 HD22 LEU 42 HD22 LEU 42 -2.912 2.325 -5.531 456 HD23 LEU 42 HD23 LEU 42 -2.722 1.673 -7.143 457 H ILE 43 HN ILE 43 0.674 2.318 -2.978 458 HA ILE 43 HA ILE 43 1.036 1.147 -0.309 459 HB ILE 43 HB ILE 43 2.126 3.762 -1.303 460 HG12 ILE 43 HG12 ILE 43 2.920 1.998 -2.746 461 HG13 ILE 43 HG11 ILE 43 4.230 2.669 -1.758 462 HG21 ILE 43 HG21 ILE 43 3.005 1.986 0.954 463 HG22 ILE 43 HG22 ILE 43 2.037 3.449 1.102 464 HG23 ILE 43 HG23 ILE 43 3.701 3.555 0.519 465 HD11 ILE 43 HD11 ILE 43 4.414 0.247 -2.029 466 HD12 ILE 43 HD12 ILE 43 2.811 0.035 -1.329 467 HD13 ILE 43 HD13 ILE 43 4.131 0.696 -0.351 468 H ILE 44 HN ILE 44 -0.308 1.719 1.126 469 HA ILE 44 HA ILE 44 -1.980 4.093 0.727 470 HB ILE 44 HB ILE 44 -2.440 1.722 2.550 471 HG12 ILE 44 HG12 ILE 44 -2.743 1.114 0.205 472 HG13 ILE 44 HG11 ILE 44 -4.290 1.114 1.047 473 HG21 ILE 44 HG21 ILE 44 -3.442 3.635 3.566 474 HG22 ILE 44 HG22 ILE 44 -4.752 2.705 2.825 475 HG23 ILE 44 HG23 ILE 44 -4.140 4.155 2.040 476 HD11 ILE 44 HD11 ILE 44 -4.500 2.051 -1.171 477 HD12 ILE 44 HD12 ILE 44 -3.250 3.237 -0.815 478 HD13 ILE 44 HD13 ILE 44 -4.792 3.298 0.044 479 H GLU 45 HN GLU 45 -1.090 5.726 1.644 480 HA GLU 45 HA GLU 45 0.056 5.410 4.333 481 HB2 GLU 45 HB2 GLU 45 0.788 7.356 2.137 482 HB3 GLU 45 HB1 GLU 45 1.335 7.533 3.797 483 HG2 GLU 45 HG2 GLU 45 2.538 5.397 3.581 484 HG3 GLU 45 HG1 GLU 45 2.067 5.276 1.898 485 HA PRO 46 HA PRO 46 -3.150 8.281 5.093 486 HB2 PRO 46 HB2 PRO 46 -2.381 8.940 7.693 487 HB3 PRO 46 HB1 PRO 46 -3.430 7.601 7.222 488 HG2 PRO 46 HG2 PRO 46 -0.932 7.470 8.348 489 HG3 PRO 46 HG1 PRO 46 -1.809 6.097 7.621 490 HD2 PRO 46 HD2 PRO 46 0.345 7.834 6.463 491 HD3 PRO 46 HD1 PRO 46 0.090 6.126 6.114 492 H VAL 47 HN VAL 47 -3.461 10.423 5.728 493 HA VAL 47 HA VAL 47 -1.081 12.067 5.291 494 HB VAL 47 HB VAL 47 -3.913 12.989 4.713 495 HG11 VAL 47 HG11 VAL 47 -2.843 14.756 3.523 496 HG12 VAL 47 HG12 VAL 47 -1.291 13.961 3.802 497 HG13 VAL 47 HG13 VAL 47 -2.174 14.675 5.189 498 HG21 VAL 47 HG21 VAL 47 -3.490 11.272 3.189 499 HG22 VAL 47 HG22 VAL 47 -1.854 11.881 2.848 500 HG23 VAL 47 HG23 VAL 47 -3.266 12.787 2.298 501 H ARG 48 HN ARG 48 -0.562 12.916 7.178 502 HA ARG 48 HA ARG 48 -2.374 12.703 9.327 503 HB2 ARG 48 HB2 ARG 48 0.455 13.682 9.234 504 HB3 ARG 48 HB1 ARG 48 -0.493 13.668 10.713 505 HG2 ARG 48 HG2 ARG 48 -0.781 11.245 10.500 506 HG3 ARG 48 HG1 ARG 48 0.184 11.267 9.023 507 HD2 ARG 48 HD2 ARG 48 2.105 12.053 10.243 508 HD3 ARG 48 HD1 ARG 48 1.154 12.189 11.722 509 HE ARG 48 HE ARG 48 0.889 9.587 10.999 510 HH11 ARG 48 HH11 ARG 48 3.675 11.659 11.568 511 HH12 ARG 48 HH12 ARG 48 4.676 10.435 12.186 512 HH21 ARG 48 HH21 ARG 48 2.258 7.842 11.845 513 HH22 ARG 48 HH22 ARG 48 3.821 8.211 12.389 514 H LYS 49 HN LYS 49 -3.447 14.137 10.423 515 HA LYS 49 HA LYS 49 -3.740 16.773 9.295 516 HB2 LYS 49 HB2 LYS 49 -5.302 15.169 11.296 517 HB3 LYS 49 HB1 LYS 49 -5.501 16.909 11.229 518 HG2 LYS 49 HG2 LYS 49 -7.224 15.684 9.972 519 HG3 LYS 49 HG1 LYS 49 -6.291 16.787 8.970 520 HD2 LYS 49 HD2 LYS 49 -4.982 14.935 8.121 521 HD3 LYS 49 HD1 LYS 49 -5.840 13.815 9.174 522 HE2 LYS 49 HE2 LYS 49 -7.077 15.498 6.997 523 HE3 LYS 49 HE1 LYS 49 -6.694 13.782 6.858 524 HZ1 LYS 49 HZ1 LYS 49 -8.625 14.955 8.797 525 HZ2 LYS 49 HZ2 LYS 49 -8.224 13.337 8.649 526 HZ3 LYS 49 HZ3 LYS 49 -9.018 14.146 7.370 527 H GLU 50 HN GLU 50 -2.090 17.845 9.808 528 HA GLU 50 HA GLU 50 -1.806 18.634 12.586 529 HB2 GLU 50 HB2 GLU 50 -0.153 16.792 12.024 530 HB3 GLU 50 HB1 GLU 50 0.555 17.896 10.855 531 HG2 GLU 50 HG2 GLU 50 1.075 19.451 12.657 532 HG3 GLU 50 HG1 GLU 50 0.389 18.323 13.824 533 H1 ASN -16 HT1 ASN -16 9.271 -2.024 -32.928 534 H2 ASN -16 HT2 ASN -16 8.784 -0.502 -32.381 535 H3 ASN -16 HT3 ASN -16 10.110 -0.632 -33.411 536 HA ASN -16 HA ASN -16 8.146 0.163 -34.549 537 HB2 ASN -16 HB2 ASN -16 9.743 -1.239 -35.819 538 HB3 ASN -16 HB1 ASN -16 8.844 -2.678 -35.343 539 HD21 ASN -16 HD21 ASN -16 8.272 -3.233 -37.474 540 HD22 ASN -16 HD22 ASN -16 7.141 -2.290 -38.368 541 H HIS -15 HN HIS -15 6.063 0.361 -34.076 542 HA HIS -15 HA HIS -15 4.622 -1.827 -32.921 543 HB2 HIS -15 HB2 HIS -15 3.762 0.959 -33.763 544 HB3 HIS -15 HB1 HIS -15 2.641 -0.225 -33.108 545 HD1 HIS -15 HD1 HIS -15 5.036 2.379 -32.041 546 HD2 HIS -15 HD2 HIS -15 3.254 -0.996 -30.385 547 HE1 HIS -15 HE1 HIS -15 5.339 2.575 -29.553 548 H LYS -14 HN LYS -14 4.275 -3.430 -34.168 549 HA LYS -14 HA LYS -14 3.805 -3.075 -37.019 550 HB2 LYS -14 HB2 LYS -14 5.527 -4.659 -36.394 551 HB3 LYS -14 HB1 LYS -14 4.410 -5.521 -35.354 552 HG2 LYS -14 HG2 LYS -14 4.818 -6.745 -37.416 553 HG3 LYS -14 HG1 LYS -14 3.135 -6.238 -37.303 554 HD2 LYS -14 HD2 LYS -14 3.575 -4.383 -38.827 555 HD3 LYS -14 HD1 LYS -14 5.278 -4.842 -38.910 556 HE2 LYS -14 HE2 LYS -14 4.012 -5.640 -40.864 557 HE3 LYS -14 HE1 LYS -14 4.685 -6.966 -39.921 558 HZ1 LYS -14 HZ1 LYS -14 2.504 -7.372 -38.969 559 HZ2 LYS -14 HZ2 LYS -14 2.386 -7.358 -40.642 560 HZ3 LYS -14 HZ3 LYS -14 1.864 -6.034 -39.768 561 H VAL -13 HN VAL -13 2.297 -4.558 -34.200 562 HA VAL -13 HA VAL -13 0.042 -5.555 -35.671 563 HB VAL -13 HB VAL -13 0.293 -5.163 -32.677 564 HG11 VAL -13 HG11 VAL -13 -1.496 -6.981 -34.287 565 HG12 VAL -13 HG12 VAL -13 -1.991 -5.535 -33.405 566 HG13 VAL -13 HG13 VAL -13 -1.387 -6.942 -32.529 567 HG21 VAL -13 HG21 VAL -13 1.019 -7.554 -34.352 568 HG22 VAL -13 HG22 VAL -13 0.995 -7.520 -32.590 569 HG23 VAL -13 HG23 VAL -13 2.144 -6.516 -33.478 570 H HIS -12 HN HIS -12 0.728 -2.878 -33.550 571 HA HIS -12 HA HIS -12 -1.899 -1.720 -34.123 572 HB2 HIS -12 HB2 HIS -12 0.182 -0.923 -32.067 573 HB3 HIS -12 HB1 HIS -12 -1.370 -0.139 -32.294 574 HD1 HIS -12 HD1 HIS -12 -3.435 -1.314 -31.264 575 HD2 HIS -12 HD2 HIS -12 0.125 -3.388 -30.769 576 HE1 HIS -12 HE1 HIS -12 -3.900 -3.108 -29.546 577 H HIS -11 HN HIS -11 -1.937 -0.257 -35.678 578 HA HIS -11 HA HIS -11 0.535 0.989 -36.574 579 HB2 HIS -11 HB2 HIS -11 -2.305 1.156 -37.634 580 HB3 HIS -11 HB1 HIS -11 -0.958 2.055 -38.325 581 HD1 HIS -11 HD1 HIS -11 -0.178 0.921 -40.418 582 HD2 HIS -11 HD2 HIS -11 -1.478 -1.804 -37.564 583 HE1 HIS -11 HE1 HIS -11 0.077 -1.335 -41.448 584 H HIS -10 HN HIS -10 0.425 1.781 -34.251 585 HA HIS -10 HA HIS -10 -0.311 4.553 -34.178 586 HB2 HIS -10 HB2 HIS -10 -2.424 3.568 -33.483 587 HB3 HIS -10 HB1 HIS -10 -1.609 2.484 -32.369 588 HD1 HIS -10 HD1 HIS -10 -1.633 3.271 -29.960 589 HD2 HIS -10 HD2 HIS -10 -2.119 6.383 -32.672 590 HE1 HIS -10 HE1 HIS -10 -2.060 5.330 -28.590 591 H HIS -9 HN HIS -9 1.172 5.545 -32.857 592 HA HIS -9 HA HIS -9 2.941 3.763 -31.417 593 HB2 HIS -9 HB2 HIS -9 4.439 5.751 -31.111 594 HB3 HIS -9 HB1 HIS -9 4.166 5.329 -32.790 595 HD1 HIS -9 HD1 HIS -9 4.031 8.161 -30.458 596 HD2 HIS -9 HD2 HIS -9 2.352 7.138 -34.114 597 HE1 HIS -9 HE1 HIS -9 3.251 10.304 -31.496 598 H HIS -8 HN HIS -8 2.711 3.401 -29.425 599 HA HIS -8 HA HIS -8 0.612 4.642 -27.993 600 HB2 HIS -8 HB2 HIS -8 2.629 2.545 -27.166 601 HB3 HIS -8 HB1 HIS -8 1.321 3.098 -26.127 602 HD1 HIS -8 HD1 HIS -8 -0.672 1.566 -26.231 603 HD2 HIS -8 HD2 HIS -8 1.451 1.605 -29.795 604 HE1 HIS -8 HE1 HIS -8 -1.875 -0.007 -27.789 605 H HIS -7 HN HIS -7 0.623 6.065 -26.422 606 HA HIS -7 HA HIS -7 3.106 7.549 -26.013 607 HB2 HIS -7 HB2 HIS -7 0.233 8.333 -25.446 608 HB3 HIS -7 HB1 HIS -7 1.631 9.375 -25.239 609 HD1 HIS -7 HD1 HIS -7 -0.808 8.237 -27.783 610 HD2 HIS -7 HD2 HIS -7 2.878 10.141 -27.689 611 HE1 HIS -7 HE1 HIS -7 -0.490 9.267 -30.057 612 H MET -6 HN MET -6 3.947 7.837 -24.022 613 HA MET -6 HA MET -6 2.622 6.474 -21.784 614 HB2 MET -6 HB2 MET -6 5.590 6.721 -22.302 615 HB3 MET -6 HB1 MET -6 4.868 6.026 -20.863 616 HG2 MET -6 HG2 MET -6 3.879 4.246 -22.233 617 HG3 MET -6 HG1 MET -6 4.627 4.947 -23.666 618 HE1 MET -6 HE1 MET -6 5.190 3.072 -20.275 619 HE2 MET -6 HE2 MET -6 6.113 4.551 -19.989 620 HE3 MET -6 HE3 MET -6 6.950 3.009 -20.165 621 H SER -5 HN SER -5 1.776 8.070 -20.618 622 HA SER -5 HA SER -5 3.651 10.028 -19.504 623 HB2 SER -5 HB2 SER -5 0.871 10.677 -20.497 624 HB3 SER -5 HB1 SER -5 2.016 11.818 -19.783 625 HG SER -5 HG SER -5 3.264 10.664 -21.767 626 H ASP -4 HN ASP -4 1.988 7.478 -18.860 627 HA ASP -4 HA ASP -4 0.144 8.370 -16.820 628 HB2 ASP -4 HB2 ASP -4 -0.466 6.507 -18.296 629 HB3 ASP -4 HB1 ASP -4 0.892 5.574 -17.684 630 H ASP -3 HN ASP -3 3.376 7.591 -16.947 631 HA ASP -3 HA ASP -3 3.627 6.173 -14.456 632 HB2 ASP -3 HB2 ASP -3 5.729 7.427 -16.207 633 HB3 ASP -3 HB1 ASP -3 6.070 6.446 -14.794 634 H ASP -2 HN ASP -2 3.541 9.419 -15.378 635 HA ASP -2 HA ASP -2 5.236 10.489 -13.369 636 HB2 ASP -2 HB2 ASP -2 4.725 11.627 -15.510 637 HB3 ASP -2 HB1 ASP -2 3.094 11.938 -14.920 638 H ASP -1 HN ASP -1 1.665 10.624 -13.668 639 HA ASP -1 HA ASP -1 1.563 11.436 -10.896 640 HB2 ASP -1 HB2 ASP -1 0.062 12.597 -12.464 641 HB3 ASP -1 HB1 ASP -1 -0.671 11.066 -12.915 642 H LYS 0 HN LYS 0 1.721 9.939 -9.457 643 HA LYS 0 HA LYS 0 0.281 7.406 -9.881 644 HB2 LYS 0 HB2 LYS 0 2.142 6.112 -9.084 645 HB3 LYS 0 HB1 LYS 0 2.686 7.123 -10.409 646 HG2 LYS 0 HG2 LYS 0 3.620 8.711 -8.719 647 HG3 LYS 0 HG1 LYS 0 3.203 7.536 -7.470 648 HD2 LYS 0 HD2 LYS 0 4.568 5.858 -8.741 649 HD3 LYS 0 HD1 LYS 0 5.119 7.183 -9.765 650 HE2 LYS 0 HE2 LYS 0 6.776 6.831 -8.092 651 HE3 LYS 0 HE1 LYS 0 5.933 8.323 -7.696 652 HZ1 LYS 0 HZ1 LYS 0 5.257 5.705 -6.504 653 HZ2 LYS 0 HZ2 LYS 0 4.723 7.187 -5.923 654 HZ3 LYS 0 HZ3 LYS 0 6.353 6.744 -5.806 655 H GLY 1 HN GLY 1 0.464 10.047 -8.067 656 HA2 GLY 1 HA2 GLY 1 -0.063 8.662 -5.542 657 HA3 GLY 1 HA1 GLY 1 0.465 10.338 -5.692 658 H ILE 2 HN ILE 2 -2.141 8.301 -5.424 659 HA ILE 2 HA ILE 2 -4.010 10.292 -6.490 660 HB ILE 2 HB ILE 2 -4.489 7.399 -5.715 661 HG12 ILE 2 HG12 ILE 2 -4.228 8.649 -8.463 662 HG13 ILE 2 HG11 ILE 2 -3.005 7.657 -7.680 663 HG21 ILE 2 HG21 ILE 2 -6.505 8.759 -5.496 664 HG22 ILE 2 HG22 ILE 2 -6.646 7.673 -6.880 665 HG23 ILE 2 HG23 ILE 2 -6.282 9.380 -7.131 666 HD11 ILE 2 HD11 ILE 2 -4.545 5.761 -7.724 667 HD12 ILE 2 HD12 ILE 2 -4.248 6.410 -9.339 668 HD13 ILE 2 HD13 ILE 2 -5.754 6.783 -8.497 669 H HIS 3 HN HIS 3 -5.201 11.450 -5.112 670 HA HIS 3 HA HIS 3 -5.088 10.771 -2.295 671 HB2 HIS 3 HB2 HIS 3 -5.899 13.303 -3.728 672 HB3 HIS 3 HB1 HIS 3 -6.117 13.061 -2.001 673 HD1 HIS 3 HD1 HIS 3 -3.654 14.309 -4.399 674 HD2 HIS 3 HD2 HIS 3 -3.620 12.524 -0.654 675 HE1 HIS 3 HE1 HIS 3 -1.447 14.884 -3.395 676 H SER 4 HN SER 4 -6.800 10.228 -1.173 677 HA SER 4 HA SER 4 -9.491 10.553 -2.141 678 HB2 SER 4 HB2 SER 4 -8.178 7.910 -1.677 679 HB3 SER 4 HB1 SER 4 -9.905 8.043 -1.698 680 HG SER 4 HG SER 4 -8.671 9.246 -3.838 681 H SER 5 HN SER 5 -10.643 8.861 -0.227 682 HA SER 5 HA SER 5 -9.424 9.531 2.282 683 HB2 SER 5 HB2 SER 5 -11.583 10.596 3.084 684 HB3 SER 5 HB1 SER 5 -10.652 11.560 1.939 685 HG SER 5 HG SER 5 -12.059 11.152 0.388 686 H VAL 6 HN VAL 6 -10.236 8.322 3.959 687 HA VAL 6 HA VAL 6 -11.315 5.791 3.183 688 HB VAL 6 HB VAL 6 -10.947 6.915 5.972 689 HG11 VAL 6 HG11 VAL 6 -12.446 4.991 5.891 690 HG12 VAL 6 HG12 VAL 6 -10.921 4.568 6.668 691 HG13 VAL 6 HG13 VAL 6 -11.229 4.070 5.007 692 HG21 VAL 6 HG21 VAL 6 -8.873 6.942 4.793 693 HG22 VAL 6 HG22 VAL 6 -9.132 5.278 4.257 694 HG23 VAL 6 HG23 VAL 6 -8.850 5.619 5.972 695 H LYS 7 HN LYS 7 -13.379 5.419 2.889 696 HA LYS 7 HA LYS 7 -15.267 7.113 4.306 697 HB2 LYS 7 HB2 LYS 7 -15.436 5.854 1.557 698 HB3 LYS 7 HB1 LYS 7 -16.855 6.476 2.425 699 HG2 LYS 7 HG2 LYS 7 -14.464 8.136 1.728 700 HG3 LYS 7 HG1 LYS 7 -15.906 7.994 0.715 701 HD2 LYS 7 HD2 LYS 7 -17.196 8.605 2.824 702 HD3 LYS 7 HD1 LYS 7 -15.647 9.118 3.478 703 HE2 LYS 7 HE2 LYS 7 -16.728 10.164 0.864 704 HE3 LYS 7 HE1 LYS 7 -17.043 10.950 2.405 705 HZ1 LYS 7 HZ1 LYS 7 -14.291 10.467 1.352 706 HZ2 LYS 7 HZ2 LYS 7 -14.790 11.432 2.684 707 HZ3 LYS 7 HZ3 LYS 7 -15.193 11.868 1.125 708 H ARG 8 HN ARG 8 -17.441 5.875 4.547 709 HA ARG 8 HA ARG 8 -16.658 3.428 5.978 710 HB2 ARG 8 HB2 ARG 8 -17.519 5.296 7.322 711 HB3 ARG 8 HB1 ARG 8 -19.040 5.208 6.439 712 HG2 ARG 8 HG2 ARG 8 -19.370 2.933 7.255 713 HG3 ARG 8 HG1 ARG 8 -17.861 3.043 8.157 714 HD2 ARG 8 HD2 ARG 8 -20.276 4.797 8.531 715 HD3 ARG 8 HD1 ARG 8 -19.820 3.441 9.562 716 HE ARG 8 HE ARG 8 -17.958 5.664 9.247 717 HH11 ARG 8 HH11 ARG 8 -20.256 3.922 11.326 718 HH12 ARG 8 HH12 ARG 8 -19.724 4.645 12.764 719 HH21 ARG 8 HH21 ARG 8 -17.228 6.696 11.279 720 HH22 ARG 8 HH22 ARG 8 -17.994 6.269 12.723 721 H TRP 9 HN TRP 9 -17.223 1.594 5.115 722 HA TRP 9 HA TRP 9 -19.602 1.357 3.366 723 HB2 TRP 9 HB2 TRP 9 -17.122 0.743 2.641 724 HB3 TRP 9 HB1 TRP 9 -17.385 -0.613 3.695 725 HD1 TRP 9 HD1 TRP 9 -20.631 -0.228 2.056 726 HE1 TRP 9 HE1 TRP 9 -20.820 -1.701 0.029 727 HE3 TRP 9 HE3 TRP 9 -15.622 -1.670 1.353 728 HZ2 TRP 9 HZ2 TRP 9 -19.279 -3.274 -1.567 729 HZ3 TRP 9 HZ3 TRP 9 -15.220 -3.116 -0.435 730 HH2 TRP 9 HH2 TRP 9 -17.009 -3.887 -1.919 731 H GLY 10 HN GLY 10 -21.160 1.041 4.855 732 HA2 GLY 10 HA2 GLY 10 -22.424 -0.265 6.269 733 HA3 GLY 10 HA1 GLY 10 -21.087 -1.427 6.301 734 H ASN 11 HN ASN 11 -20.495 -1.658 8.356 735 HA ASN 11 HA ASN 11 -20.029 0.802 9.897 736 HB2 ASN 11 HB2 ASN 11 -20.091 -0.582 11.900 737 HB3 ASN 11 HB1 ASN 11 -21.540 -0.868 10.956 738 HD21 ASN 11 HD21 ASN 11 -20.555 -2.522 12.953 739 HD22 ASN 11 HD22 ASN 11 -20.123 -4.045 12.256 740 H SER 12 HN SER 12 -18.146 -0.139 7.734 741 HA SER 12 HA SER 12 -15.865 -0.525 9.378 742 HB2 SER 12 HB2 SER 12 -16.638 -2.231 7.028 743 HB3 SER 12 HB1 SER 12 -15.101 -2.327 7.908 744 HG SER 12 HG SER 12 -17.158 -2.439 9.590 745 HA PRO 13 HA PRO 13 -14.451 2.512 6.454 746 HB2 PRO 13 HB2 PRO 13 -11.776 2.225 6.956 747 HB3 PRO 13 HB1 PRO 13 -12.882 3.135 7.986 748 HG2 PRO 13 HG2 PRO 13 -11.729 0.429 8.386 749 HG3 PRO 13 HG1 PRO 13 -12.212 1.655 9.572 750 HD2 PRO 13 HD2 PRO 13 -13.706 -0.596 8.950 751 HD3 PRO 13 HD1 PRO 13 -14.321 0.886 9.692 752 H ALA 14 HN ALA 14 -13.966 2.476 4.300 753 HA ALA 14 HA ALA 14 -12.281 0.326 3.318 754 HB1 ALA 14 HB1 ALA 14 -14.906 1.171 2.091 755 HB2 ALA 14 HB2 ALA 14 -14.594 -0.353 2.922 756 HB3 ALA 14 HB3 ALA 14 -13.771 0.008 1.405 757 H VAL 15 HN VAL 15 -10.995 0.906 1.671 758 HA VAL 15 HA VAL 15 -10.964 3.750 0.994 759 HB VAL 15 HB VAL 15 -8.741 1.667 0.784 760 HG11 VAL 15 HG11 VAL 15 -8.606 3.247 -1.106 761 HG12 VAL 15 HG12 VAL 15 -7.283 3.506 0.035 762 HG13 VAL 15 HG13 VAL 15 -8.666 4.599 0.024 763 HG21 VAL 15 HG21 VAL 15 -7.607 3.039 2.446 764 HG22 VAL 15 HG22 VAL 15 -9.192 2.540 3.054 765 HG23 VAL 15 HG23 VAL 15 -8.953 4.173 2.439 766 H ARG 16 HN ARG 16 -11.331 4.382 -1.013 767 HA ARG 16 HA ARG 16 -12.428 2.445 -2.822 768 HB2 ARG 16 HB2 ARG 16 -13.401 4.722 -2.243 769 HB3 ARG 16 HB1 ARG 16 -12.058 5.365 -3.195 770 HG2 ARG 16 HG2 ARG 16 -12.807 4.099 -5.111 771 HG3 ARG 16 HG1 ARG 16 -14.166 3.525 -4.112 772 HD2 ARG 16 HD2 ARG 16 -14.968 5.787 -3.852 773 HD3 ARG 16 HD1 ARG 16 -13.585 6.398 -4.758 774 HE ARG 16 HE ARG 16 -15.570 4.604 -5.974 775 HH11 ARG 16 HH11 ARG 16 -13.780 7.657 -6.020 776 HH12 ARG 16 HH12 ARG 16 -14.159 8.038 -7.623 777 HH21 ARG 16 HH21 ARG 16 -16.154 5.103 -8.174 778 HH22 ARG 16 HH22 ARG 16 -15.617 6.547 -8.890 779 H ILE 17 HN ILE 17 -11.332 1.687 -4.570 780 HA ILE 17 HA ILE 17 -8.817 2.956 -5.289 781 HB ILE 17 HB ILE 17 -9.676 0.055 -5.323 782 HG12 ILE 17 HG12 ILE 17 -7.283 -0.215 -4.439 783 HG13 ILE 17 HG11 ILE 17 -7.326 1.537 -4.256 784 HG21 ILE 17 HG21 ILE 17 -8.844 0.397 -7.554 785 HG22 ILE 17 HG22 ILE 17 -7.772 -0.607 -6.552 786 HG23 ILE 17 HG23 ILE 17 -7.343 1.077 -6.883 787 HD11 ILE 17 HD11 ILE 17 -7.814 0.314 -2.218 788 HD12 ILE 17 HD12 ILE 17 -9.246 -0.353 -3.041 789 HD13 ILE 17 HD13 ILE 17 -9.118 1.390 -2.747 790 HA PRO 18 HA PRO 18 -10.782 3.906 -9.178 791 HB2 PRO 18 HB2 PRO 18 -8.179 4.135 -10.439 792 HB3 PRO 18 HB1 PRO 18 -9.331 5.409 -10.063 793 HG2 PRO 18 HG2 PRO 18 -6.922 5.050 -8.793 794 HG3 PRO 18 HG1 PRO 18 -8.302 5.932 -8.127 795 HD2 PRO 18 HD2 PRO 18 -7.278 3.226 -7.469 796 HD3 PRO 18 HD1 PRO 18 -8.161 4.393 -6.463 797 H ALA 19 HN ALA 19 -11.389 2.703 -10.911 798 HA ALA 19 HA ALA 19 -10.587 0.028 -11.125 799 HB1 ALA 19 HB1 ALA 19 -12.811 0.799 -11.811 800 HB2 ALA 19 HB2 ALA 19 -12.011 -0.066 -13.122 801 HB3 ALA 19 HB3 ALA 19 -12.096 1.693 -13.150 802 H THR 20 HN THR 20 -9.359 2.913 -12.592 803 HA THR 20 HA THR 20 -7.966 2.012 -14.778 804 HB THR 20 HB THR 20 -6.782 3.991 -12.852 805 HG1 THR 20 HG1 THR 20 -9.070 4.425 -14.507 806 HG21 THR 20 HG21 THR 20 -6.352 5.223 -14.932 807 HG22 THR 20 HG22 THR 20 -7.232 4.000 -15.849 808 HG23 THR 20 HG23 THR 20 -5.718 3.580 -15.052 809 H LEU 21 HN LEU 21 -7.052 1.999 -11.319 810 HA LEU 21 HA LEU 21 -4.433 0.925 -11.799 811 HB2 LEU 21 HB2 LEU 21 -6.023 1.547 -9.356 812 HB3 LEU 21 HB1 LEU 21 -4.604 0.531 -9.228 813 HG LEU 21 HG LEU 21 -4.298 2.882 -8.694 814 HD11 LEU 21 HD11 LEU 21 -2.711 1.827 -11.068 815 HD12 LEU 21 HD12 LEU 21 -2.387 1.455 -9.380 816 HD13 LEU 21 HD13 LEU 21 -2.146 3.098 -9.984 817 HD21 LEU 21 HD21 LEU 21 -5.692 3.947 -10.326 818 HD22 LEU 21 HD22 LEU 21 -4.758 3.199 -11.616 819 HD23 LEU 21 HD23 LEU 21 -4.017 4.477 -10.632 820 H MET 22 HN MET 22 -7.434 -0.223 -10.852 821 HA MET 22 HA MET 22 -6.849 -2.906 -10.273 822 HB2 MET 22 HB2 MET 22 -9.236 -1.750 -11.688 823 HB3 MET 22 HB1 MET 22 -9.173 -3.403 -11.107 824 HG2 MET 22 HG2 MET 22 -8.842 -0.990 -9.338 825 HG3 MET 22 HG1 MET 22 -10.384 -1.793 -9.647 826 HE1 MET 22 HE1 MET 22 -9.612 -4.753 -9.813 827 HE2 MET 22 HE2 MET 22 -11.010 -4.114 -8.954 828 HE3 MET 22 HE3 MET 22 -9.931 -5.266 -8.152 829 H GLN 23 HN GLN 23 -7.659 -1.479 -13.310 830 HA GLN 23 HA GLN 23 -7.039 -3.670 -14.970 831 HB2 GLN 23 HB2 GLN 23 -6.917 -0.723 -15.536 832 HB3 GLN 23 HB1 GLN 23 -6.685 -1.970 -16.755 833 HG2 GLN 23 HG2 GLN 23 -8.895 -2.815 -16.252 834 HG3 GLN 23 HG1 GLN 23 -9.153 -1.501 -15.112 835 HE21 GLN 23 HE21 GLN 23 -9.446 0.598 -15.874 836 HE22 GLN 23 HE22 GLN 23 -9.768 0.960 -17.514 837 H ALA 24 HN ALA 24 -5.070 -1.150 -13.608 838 HA ALA 24 HA ALA 24 -2.801 -1.548 -15.311 839 HB1 ALA 24 HB1 ALA 24 -3.217 0.543 -14.080 840 HB2 ALA 24 HB2 ALA 24 -1.588 -0.083 -13.847 841 HB3 ALA 24 HB3 ALA 24 -2.802 -0.284 -12.579 842 H LEU 25 HN LEU 25 -3.673 -2.774 -12.189 843 HA LEU 25 HA LEU 25 -1.177 -4.251 -11.980 844 HB2 LEU 25 HB2 LEU 25 -3.488 -3.920 -10.118 845 HB3 LEU 25 HB1 LEU 25 -2.024 -4.810 -9.744 846 HG LEU 25 HG LEU 25 -2.021 -1.882 -10.462 847 HD11 LEU 25 HD11 LEU 25 -1.774 -1.508 -8.059 848 HD12 LEU 25 HD12 LEU 25 -2.105 -3.239 -7.803 849 HD13 LEU 25 HD13 LEU 25 -3.339 -2.196 -8.509 850 HD21 LEU 25 HD21 LEU 25 0.000 -3.682 -9.136 851 HD22 LEU 25 HD22 LEU 25 0.180 -1.947 -9.381 852 HD23 LEU 25 HD23 LEU 25 0.109 -3.030 -10.773 853 H ASN 26 HN ASN 26 -4.202 -4.619 -13.204 854 HA ASN 26 HA ASN 26 -5.460 -6.225 -14.046 855 HB2 ASN 26 HB2 ASN 26 -3.414 -6.909 -15.247 856 HB3 ASN 26 HB1 ASN 26 -3.003 -7.994 -13.921 857 HD21 ASN 26 HD21 ASN 26 -3.116 -9.859 -15.109 858 HD22 ASN 26 HD22 ASN 26 -4.572 -10.492 -15.769 859 H LEU 27 HN LEU 27 -6.431 -5.964 -11.808 860 HA LEU 27 HA LEU 27 -7.000 -8.648 -10.958 861 HB2 LEU 27 HB2 LEU 27 -7.426 -7.793 -8.785 862 HB3 LEU 27 HB1 LEU 27 -5.715 -7.701 -9.185 863 HG LEU 27 HG LEU 27 -7.484 -5.287 -9.431 864 HD11 LEU 27 HD11 LEU 27 -6.111 -6.243 -6.932 865 HD12 LEU 27 HD12 LEU 27 -7.840 -6.374 -7.293 866 HD13 LEU 27 HD13 LEU 27 -7.103 -4.766 -7.149 867 HD21 LEU 27 HD21 LEU 27 -5.193 -5.204 -10.278 868 HD22 LEU 27 HD22 LEU 27 -4.587 -5.694 -8.698 869 HD23 LEU 27 HD23 LEU 27 -5.405 -4.141 -8.886 870 H ASN 28 HN ASN 28 -9.232 -8.676 -9.940 871 HA ASN 28 HA ASN 28 -10.957 -6.566 -10.969 872 HB2 ASN 28 HB2 ASN 28 -11.389 -9.558 -11.313 873 HB3 ASN 28 HB1 ASN 28 -12.623 -8.346 -11.608 874 HD21 ASN 28 HD21 ASN 28 -9.783 -9.896 -12.836 875 HD22 ASN 28 HD22 ASN 28 -9.818 -9.164 -14.385 876 H ILE 29 HN ILE 29 -13.356 -7.702 -10.030 877 HA ILE 29 HA ILE 29 -13.032 -7.247 -7.224 878 HB ILE 29 HB ILE 29 -15.500 -8.106 -8.799 879 HG12 ILE 29 HG12 ILE 29 -14.681 -5.912 -9.538 880 HG13 ILE 29 HG11 ILE 29 -16.198 -5.748 -8.667 881 HG21 ILE 29 HG21 ILE 29 -15.708 -8.651 -6.417 882 HG22 ILE 29 HG22 ILE 29 -16.825 -7.378 -6.901 883 HG23 ILE 29 HG23 ILE 29 -15.356 -6.966 -6.016 884 HD11 ILE 29 HD11 ILE 29 -13.447 -5.155 -7.602 885 HD12 ILE 29 HD12 ILE 29 -14.950 -5.023 -6.688 886 HD13 ILE 29 HD13 ILE 29 -14.673 -3.982 -8.082 887 H ASP 30 HN ASP 30 -13.199 -8.710 -5.619 888 HA ASP 30 HA ASP 30 -13.144 -10.560 -4.484 889 HB2 ASP 30 HB2 ASP 30 -14.298 -11.823 -6.917 890 HB3 ASP 30 HB1 ASP 30 -13.598 -12.870 -5.684 891 H ASP 31 HN ASP 31 -10.957 -9.680 -6.537 892 HA ASP 31 HA ASP 31 -9.267 -11.947 -6.236 893 HB2 ASP 31 HB2 ASP 31 -8.741 -9.109 -7.124 894 HB3 ASP 31 HB1 ASP 31 -7.412 -10.213 -6.789 895 H GLU 32 HN GLU 32 -8.286 -12.515 -4.566 896 HA GLU 32 HA GLU 32 -8.531 -11.119 -2.148 897 HB2 GLU 32 HB2 GLU 32 -8.633 -13.532 -2.231 898 HB3 GLU 32 HB1 GLU 32 -7.035 -13.641 -2.925 899 HG2 GLU 32 HG2 GLU 32 -6.028 -12.986 -0.912 900 HG3 GLU 32 HG1 GLU 32 -7.570 -12.445 -0.238 901 H VAL 33 HN VAL 33 -7.032 -9.963 -1.068 902 HA VAL 33 HA VAL 33 -4.542 -9.486 -2.476 903 HB VAL 33 HB VAL 33 -4.662 -7.107 -2.326 904 HG11 VAL 33 HG11 VAL 33 -6.623 -6.494 -3.577 905 HG12 VAL 33 HG12 VAL 33 -7.414 -7.954 -3.019 906 HG13 VAL 33 HG13 VAL 33 -6.040 -8.083 -4.143 907 HG21 VAL 33 HG21 VAL 33 -5.619 -6.918 -0.095 908 HG22 VAL 33 HG22 VAL 33 -7.207 -7.371 -0.762 909 HG23 VAL 33 HG23 VAL 33 -6.443 -5.865 -1.250 910 H LYS 34 HN LYS 34 -2.838 -8.775 -1.255 911 HA LYS 34 HA LYS 34 -2.933 -9.479 1.551 912 HB2 LYS 34 HB2 LYS 34 -0.772 -8.962 -0.455 913 HB3 LYS 34 HB1 LYS 34 -0.423 -8.983 1.264 914 HG2 LYS 34 HG2 LYS 34 -1.021 -11.254 1.453 915 HG3 LYS 34 HG1 LYS 34 -1.760 -11.269 -0.146 916 HD2 LYS 34 HD2 LYS 34 0.498 -12.364 -0.018 917 HD3 LYS 34 HD1 LYS 34 0.348 -11.093 -1.217 918 HE2 LYS 34 HE2 LYS 34 2.464 -10.984 -0.049 919 HE3 LYS 34 HE1 LYS 34 1.502 -9.536 0.214 920 HZ1 LYS 34 HZ1 LYS 34 2.572 -10.298 2.291 921 HZ2 LYS 34 HZ2 LYS 34 1.803 -11.779 2.199 922 HZ3 LYS 34 HZ3 LYS 34 0.929 -10.369 2.461 923 H ILE 35 HN ILE 35 -3.458 -7.896 2.903 924 HA ILE 35 HA ILE 35 -2.499 -5.188 2.382 925 HB ILE 35 HB ILE 35 -4.370 -6.170 4.592 926 HG12 ILE 35 HG12 ILE 35 -6.071 -4.637 3.377 927 HG13 ILE 35 HG11 ILE 35 -4.996 -4.779 1.996 928 HG21 ILE 35 HG21 ILE 35 -3.572 -3.363 3.873 929 HG22 ILE 35 HG22 ILE 35 -3.094 -4.272 5.304 930 HG23 ILE 35 HG23 ILE 35 -4.784 -3.806 5.078 931 HD11 ILE 35 HD11 ILE 35 -6.776 -6.335 1.775 932 HD12 ILE 35 HD12 ILE 35 -6.476 -6.971 3.396 933 HD13 ILE 35 HD13 ILE 35 -5.299 -7.246 2.116 934 H ASP 36 HN ASP 36 -0.435 -5.245 2.945 935 HA ASP 36 HA ASP 36 0.298 -6.615 5.465 936 HB2 ASP 36 HB2 ASP 36 1.364 -6.882 2.876 937 HB3 ASP 36 HB1 ASP 36 2.538 -5.934 3.775 938 H LEU 37 HN LEU 37 1.122 -5.357 7.132 939 HA LEU 37 HA LEU 37 1.375 -2.622 6.612 940 HB2 LEU 37 HB2 LEU 37 0.316 -3.812 8.662 941 HB3 LEU 37 HB1 LEU 37 1.974 -4.193 9.073 942 HG LEU 37 HG LEU 37 1.090 -2.325 10.370 943 HD11 LEU 37 HD11 LEU 37 2.981 -0.806 10.058 944 HD12 LEU 37 HD12 LEU 37 3.302 -1.694 8.534 945 HD13 LEU 37 HD13 LEU 37 3.404 -2.538 10.064 946 HD21 LEU 37 HD21 LEU 37 0.626 -0.207 9.386 947 HD22 LEU 37 HD22 LEU 37 -0.350 -1.460 8.576 948 HD23 LEU 37 HD23 LEU 37 1.083 -0.813 7.793 949 H VAL 38 HN VAL 38 3.164 -1.786 6.276 950 HA VAL 38 HA VAL 38 5.754 -3.035 6.858 951 HB VAL 38 HB VAL 38 5.066 -2.196 4.024 952 HG11 VAL 38 HG11 VAL 38 7.267 -3.131 3.413 953 HG12 VAL 38 HG12 VAL 38 7.616 -3.344 5.130 954 HG13 VAL 38 HG13 VAL 38 7.361 -1.724 4.469 955 HG21 VAL 38 HG21 VAL 38 5.357 -4.557 3.391 956 HG22 VAL 38 HG22 VAL 38 4.025 -4.340 4.526 957 HG23 VAL 38 HG23 VAL 38 5.567 -4.978 5.091 958 H ASP 39 HN ASP 39 6.940 -1.547 7.720 959 HA ASP 39 HA ASP 39 7.996 0.378 8.246 960 HB2 ASP 39 HB2 ASP 39 8.631 0.186 5.806 961 HB3 ASP 39 HB1 ASP 39 7.321 1.306 5.434 962 H GLY 40 HN GLY 40 5.146 0.125 8.677 963 HA2 GLY 40 HA2 GLY 40 3.764 1.517 9.977 964 HA3 GLY 40 HA1 GLY 40 4.730 2.882 9.451 965 H LYS 41 HN LYS 41 3.820 1.104 6.746 966 HA LYS 41 HA LYS 41 1.303 2.538 6.588 967 HB2 LYS 41 HB2 LYS 41 1.669 2.965 4.154 968 HB3 LYS 41 HB1 LYS 41 2.724 3.888 5.211 969 HG2 LYS 41 HG2 LYS 41 3.803 1.351 4.154 970 HG3 LYS 41 HG1 LYS 41 3.512 2.627 2.974 971 HD2 LYS 41 HD2 LYS 41 4.867 4.161 4.393 972 HD3 LYS 41 HD1 LYS 41 5.240 2.792 5.444 973 HE2 LYS 41 HE2 LYS 41 6.352 1.640 3.647 974 HE3 LYS 41 HE1 LYS 41 5.818 2.848 2.489 975 HZ1 LYS 41 HZ1 LYS 41 7.696 3.425 4.748 976 HZ2 LYS 41 HZ2 LYS 41 7.244 4.475 3.513 977 HZ3 LYS 41 HZ3 LYS 41 8.151 3.136 3.165 978 H LEU 42 HN LEU 42 -0.091 1.698 4.783 979 HA LEU 42 HA LEU 42 -0.044 -1.190 5.055 980 HB2 LEU 42 HB2 LEU 42 -2.193 0.740 4.242 981 HB3 LEU 42 HB1 LEU 42 -2.376 -1.005 4.115 982 HG LEU 42 HG LEU 42 -1.667 0.367 6.636 983 HD11 LEU 42 HD11 LEU 42 -4.118 0.200 7.224 984 HD12 LEU 42 HD12 LEU 42 -4.438 -0.377 5.587 985 HD13 LEU 42 HD13 LEU 42 -3.848 1.265 5.846 986 HD21 LEU 42 HD21 LEU 42 -1.243 -2.002 6.611 987 HD22 LEU 42 HD22 LEU 42 -2.885 -2.318 6.050 988 HD23 LEU 42 HD23 LEU 42 -2.618 -1.670 7.666 989 H ILE 43 HN ILE 43 0.558 -2.328 3.573 990 HA ILE 43 HA ILE 43 0.978 -1.195 0.899 991 HB ILE 43 HB ILE 43 2.032 -3.811 1.959 992 HG12 ILE 43 HG12 ILE 43 2.826 -2.015 3.354 993 HG13 ILE 43 HG11 ILE 43 4.134 -2.706 2.369 994 HG21 ILE 43 HG21 ILE 43 2.936 -2.086 -0.341 995 HG22 ILE 43 HG22 ILE 43 1.964 -3.545 -0.471 996 HG23 ILE 43 HG23 ILE 43 3.625 -3.645 0.134 997 HD11 ILE 43 HD11 ILE 43 4.314 -0.276 2.586 998 HD12 ILE 43 HD12 ILE 43 2.706 -0.088 1.890 999 HD13 ILE 43 HD13 ILE 43 4.021 -0.771 0.922 1000 H ILE 44 HN ILE 44 -0.348 -1.727 -0.553 1001 HA ILE 44 HA ILE 44 -2.094 -4.051 -0.186 1002 HB ILE 44 HB ILE 44 -2.412 -1.685 -2.053 1003 HG12 ILE 44 HG12 ILE 44 -2.771 -1.039 0.274 1004 HG13 ILE 44 HG11 ILE 44 -4.290 -1.005 -0.615 1005 HG21 ILE 44 HG21 ILE 44 -4.604 -2.544 -2.610 1006 HG22 ILE 44 HG22 ILE 44 -4.406 -3.874 -1.481 1007 HG23 ILE 44 HG23 ILE 44 -3.400 -3.798 -2.928 1008 HD11 ILE 44 HD11 ILE 44 -4.604 -1.911 1.602 1009 HD12 ILE 44 HD12 ILE 44 -3.378 -3.138 1.305 1010 HD13 ILE 44 HD13 ILE 44 -4.889 -3.162 0.393 1011 H GLU 45 HN GLU 45 -1.206 -5.717 -1.059 1012 HA GLU 45 HA GLU 45 -0.056 -5.442 -3.739 1013 HB2 GLU 45 HB2 GLU 45 0.696 -7.408 -1.558 1014 HB3 GLU 45 HB1 GLU 45 1.214 -7.563 -3.224 1015 HG2 GLU 45 HG2 GLU 45 2.362 -5.373 -3.000 1016 HG3 GLU 45 HG1 GLU 45 1.981 -5.372 -1.283 1017 HA PRO 46 HA PRO 46 -3.299 -8.215 -4.527 1018 HB2 PRO 46 HB2 PRO 46 -2.480 -8.944 -7.115 1019 HB3 PRO 46 HB1 PRO 46 -3.524 -7.593 -6.684 1020 HG2 PRO 46 HG2 PRO 46 -1.004 -7.473 -7.756 1021 HG3 PRO 46 HG1 PRO 46 -1.881 -6.100 -7.035 1022 HD2 PRO 46 HD2 PRO 46 0.231 -7.861 -5.844 1023 HD3 PRO 46 HD1 PRO 46 -0.009 -6.152 -5.513 1024 H VAL 47 HN VAL 47 -3.614 -10.430 -5.263 1025 HA VAL 47 HA VAL 47 -1.257 -12.075 -4.705 1026 HB VAL 47 HB VAL 47 -4.122 -12.970 -4.167 1027 HG11 VAL 47 HG11 VAL 47 -3.099 -14.747 -2.941 1028 HG12 VAL 47 HG12 VAL 47 -1.528 -14.001 -3.219 1029 HG13 VAL 47 HG13 VAL 47 -2.420 -14.711 -4.601 1030 HG21 VAL 47 HG21 VAL 47 -3.678 -11.248 -2.648 1031 HG22 VAL 47 HG22 VAL 47 -2.071 -11.910 -2.261 1032 HG23 VAL 47 HG23 VAL 47 -3.530 -12.770 -1.757 1033 H ARG 48 HN ARG 48 -0.727 -13.135 -6.521 1034 HA ARG 48 HA ARG 48 -2.492 -12.797 -8.728 1035 HB2 ARG 48 HB2 ARG 48 0.330 -13.788 -8.566 1036 HB3 ARG 48 HB1 ARG 48 -0.582 -13.830 -10.064 1037 HG2 ARG 48 HG2 ARG 48 -0.873 -11.379 -9.931 1038 HG3 ARG 48 HG1 ARG 48 0.083 -11.367 -8.450 1039 HD2 ARG 48 HD2 ARG 48 1.998 -12.233 -9.638 1040 HD3 ARG 48 HD1 ARG 48 1.058 -12.370 -11.120 1041 HE ARG 48 HE ARG 48 0.841 -9.766 -10.577 1042 HH11 ARG 48 HH11 ARG 48 3.680 -11.867 -10.643 1043 HH12 ARG 48 HH12 ARG 48 4.749 -10.677 -11.212 1044 HH21 ARG 48 HH21 ARG 48 2.352 -8.082 -11.345 1045 HH22 ARG 48 HH22 ARG 48 3.985 -8.487 -11.597 1046 H LYS 49 HN LYS 49 -3.595 -14.185 -9.811 1047 HA LYS 49 HA LYS 49 -3.949 -16.822 -8.721 1048 HB2 LYS 49 HB2 LYS 49 -5.482 -15.162 -10.700 1049 HB3 LYS 49 HB1 LYS 49 -5.729 -16.892 -10.627 1050 HG2 LYS 49 HG2 LYS 49 -7.426 -15.693 -9.368 1051 HG3 LYS 49 HG1 LYS 49 -6.455 -16.711 -8.318 1052 HD2 LYS 49 HD2 LYS 49 -5.244 -14.831 -7.497 1053 HD3 LYS 49 HD1 LYS 49 -5.978 -13.767 -8.693 1054 HE2 LYS 49 HE2 LYS 49 -7.457 -15.234 -6.504 1055 HE3 LYS 49 HE1 LYS 49 -7.005 -13.533 -6.452 1056 HZ1 LYS 49 HZ1 LYS 49 -8.782 -14.731 -8.517 1057 HZ2 LYS 49 HZ2 LYS 49 -8.357 -13.121 -8.379 1058 HZ3 LYS 49 HZ3 LYS 49 -9.334 -13.844 -7.193 1059 H GLU 50 HN GLU 50 -2.366 -17.928 -9.290 1060 HA GLU 50 HA GLU 50 -2.025 -18.532 -12.111 1061 HB2 GLU 50 HB2 GLU 50 -0.275 -16.893 -11.366 1062 HB3 GLU 50 HB1 GLU 50 0.261 -18.058 -10.176 1063 HG2 GLU 50 HG2 GLU 50 0.959 -19.575 -11.928 1064 HG3 GLU 50 HG1 GLU 50 0.317 -18.478 -13.151 Start of MODEL 18 1 H1 ASN -16 HT1 ASN -16 5.983 -20.295 20.993 2 H2 ASN -16 HT2 ASN -16 6.460 -18.901 21.837 3 H3 ASN -16 HT3 ASN -16 7.530 -20.163 21.645 4 HA ASN -16 HA ASN -16 7.625 -19.862 19.299 5 HB2 ASN -16 HB2 ASN -16 6.621 -17.829 18.280 6 HB3 ASN -16 HB1 ASN -16 5.387 -18.893 18.926 7 HD21 ASN -16 HD21 ASN -16 3.949 -17.094 18.923 8 HD22 ASN -16 HD22 ASN -16 4.037 -15.902 20.162 9 H HIS -15 HN HIS -15 8.771 -17.766 18.332 10 HA HIS -15 HA HIS -15 10.503 -16.782 20.427 11 HB2 HIS -15 HB2 HIS -15 10.682 -16.494 17.417 12 HB3 HIS -15 HB1 HIS -15 11.783 -15.713 18.540 13 HD1 HIS -15 HD1 HIS -15 12.286 -18.112 16.296 14 HD2 HIS -15 HD2 HIS -15 12.389 -18.312 20.447 15 HE1 HIS -15 HE1 HIS -15 13.789 -20.022 16.855 16 H LYS -14 HN LYS -14 9.185 -15.404 21.493 17 HA LYS -14 HA LYS -14 8.605 -12.938 20.006 18 HB2 LYS -14 HB2 LYS -14 6.536 -14.063 20.853 19 HB3 LYS -14 HB1 LYS -14 7.169 -13.909 22.489 20 HG2 LYS -14 HG2 LYS -14 7.203 -11.487 22.243 21 HG3 LYS -14 HG1 LYS -14 6.523 -11.646 20.626 22 HD2 LYS -14 HD2 LYS -14 4.526 -12.682 21.577 23 HD3 LYS -14 HD1 LYS -14 5.221 -12.541 23.196 24 HE2 LYS -14 HE2 LYS -14 4.550 -10.275 21.329 25 HE3 LYS -14 HE1 LYS -14 3.655 -10.735 22.776 26 HZ1 LYS -14 HZ1 LYS -14 5.618 -10.178 24.109 27 HZ2 LYS -14 HZ2 LYS -14 5.104 -8.859 23.207 28 HZ3 LYS -14 HZ3 LYS -14 6.454 -9.710 22.716 29 H VAL -13 HN VAL -13 9.541 -14.330 23.113 30 HA VAL -13 HA VAL -13 10.628 -11.833 24.063 31 HB VAL -13 HB VAL -13 10.954 -14.653 25.168 32 HG11 VAL -13 HG11 VAL -13 12.676 -13.146 25.986 33 HG12 VAL -13 HG12 VAL -13 11.541 -13.549 27.279 34 HG13 VAL -13 HG13 VAL -13 11.443 -11.985 26.474 35 HG21 VAL -13 HG21 VAL -13 9.199 -14.050 26.777 36 HG22 VAL -13 HG22 VAL -13 8.602 -14.007 25.116 37 HG23 VAL -13 HG23 VAL -13 8.987 -12.504 25.955 38 H HIS -12 HN HIS -12 11.710 -14.861 22.732 39 HA HIS -12 HA HIS -12 14.491 -13.952 22.598 40 HB2 HIS -12 HB2 HIS -12 13.245 -16.625 21.869 41 HB3 HIS -12 HB1 HIS -12 14.968 -16.270 21.858 42 HD1 HIS -12 HD1 HIS -12 12.576 -17.909 23.897 43 HD2 HIS -12 HD2 HIS -12 15.746 -15.324 24.634 44 HE1 HIS -12 HE1 HIS -12 13.144 -18.176 26.329 45 H HIS -11 HN HIS -11 12.252 -12.850 21.026 46 HA HIS -11 HA HIS -11 12.404 -13.781 18.339 47 HB2 HIS -11 HB2 HIS -11 10.500 -12.499 19.367 48 HB3 HIS -11 HB1 HIS -11 11.508 -11.064 19.304 49 HD1 HIS -11 HD1 HIS -11 9.282 -13.177 17.261 50 HD2 HIS -11 HD2 HIS -11 12.029 -10.138 16.675 51 HE1 HIS -11 HE1 HIS -11 8.824 -12.258 14.951 52 H HIS -10 HN HIS -10 13.849 -11.036 20.088 53 HA HIS -10 HA HIS -10 15.789 -9.918 19.830 54 HB2 HIS -10 HB2 HIS -10 16.637 -12.297 19.787 55 HB3 HIS -10 HB1 HIS -10 16.557 -12.248 18.038 56 HD1 HIS -10 HD1 HIS -10 18.755 -11.726 16.953 57 HD2 HIS -10 HD2 HIS -10 18.519 -10.266 20.839 58 HE1 HIS -10 HE1 HIS -10 21.011 -10.748 17.471 59 H HIS -9 HN HIS -9 13.529 -9.573 17.898 60 HA HIS -9 HA HIS -9 12.928 -8.462 16.008 61 HB2 HIS -9 HB2 HIS -9 15.651 -7.193 16.405 62 HB3 HIS -9 HB1 HIS -9 14.512 -6.657 15.176 63 HD1 HIS -9 HD1 HIS -9 15.534 -5.783 18.466 64 HD2 HIS -9 HD2 HIS -9 11.895 -6.012 16.491 65 HE1 HIS -9 HE1 HIS -9 13.905 -4.406 19.825 66 H HIS -8 HN HIS -8 14.401 -11.012 15.784 67 HA HIS -8 HA HIS -8 15.861 -10.874 13.315 68 HB2 HIS -8 HB2 HIS -8 16.426 -12.455 15.099 69 HB3 HIS -8 HB1 HIS -8 14.865 -13.232 14.917 70 HD1 HIS -8 HD1 HIS -8 14.593 -14.868 12.900 71 HD2 HIS -8 HD2 HIS -8 18.333 -13.081 13.174 72 HE1 HIS -8 HE1 HIS -8 16.092 -16.182 11.388 73 H HIS -7 HN HIS -7 12.621 -11.686 14.352 74 HA HIS -7 HA HIS -7 10.718 -12.251 13.318 75 HB2 HIS -7 HB2 HIS -7 12.085 -10.899 10.974 76 HB3 HIS -7 HB1 HIS -7 10.457 -11.548 10.858 77 HD1 HIS -7 HD1 HIS -7 8.587 -10.038 11.620 78 HD2 HIS -7 HD2 HIS -7 12.337 -8.738 12.885 79 HE1 HIS -7 HE1 HIS -7 8.242 -7.749 12.633 80 H MET -6 HN MET -6 9.969 -13.363 11.007 81 HA MET -6 HA MET -6 11.789 -15.645 10.645 82 HB2 MET -6 HB2 MET -6 9.673 -16.185 11.876 83 HB3 MET -6 HB1 MET -6 8.750 -15.605 10.504 84 HG2 MET -6 HG2 MET -6 9.748 -17.387 9.122 85 HG3 MET -6 HG1 MET -6 10.599 -17.983 10.544 86 HE1 MET -6 HE1 MET -6 7.852 -20.721 10.033 87 HE2 MET -6 HE2 MET -6 9.575 -20.400 10.238 88 HE3 MET -6 HE3 MET -6 8.741 -19.848 8.786 89 H SER -5 HN SER -5 10.398 -12.918 9.395 90 HA SER -5 HA SER -5 10.368 -11.876 7.454 91 HB2 SER -5 HB2 SER -5 11.771 -14.312 6.309 92 HB3 SER -5 HB1 SER -5 11.540 -12.782 5.457 93 HG SER -5 HG SER -5 12.750 -11.761 7.064 94 H ASP -4 HN ASP -4 9.342 -15.175 7.313 95 HA ASP -4 HA ASP -4 7.379 -15.000 5.297 96 HB2 ASP -4 HB2 ASP -4 8.232 -17.122 6.261 97 HB3 ASP -4 HB1 ASP -4 7.430 -16.742 7.776 98 H ASP -3 HN ASP -3 7.507 -13.932 8.483 99 HA ASP -3 HA ASP -3 4.668 -13.551 8.931 100 HB2 ASP -3 HB2 ASP -3 5.315 -12.575 11.047 101 HB3 ASP -3 HB1 ASP -3 6.289 -14.016 10.793 102 H ASP -2 HN ASP -2 7.163 -11.945 7.363 103 HA ASP -2 HA ASP -2 6.105 -9.268 7.763 104 HB2 ASP -2 HB2 ASP -2 8.485 -9.467 7.962 105 HB3 ASP -2 HB1 ASP -2 8.596 -10.301 6.419 106 H ASP -1 HN ASP -1 6.420 -11.713 5.221 107 HA ASP -1 HA ASP -1 5.251 -9.841 3.326 108 HB2 ASP -1 HB2 ASP -1 5.749 -11.408 1.607 109 HB3 ASP -1 HB1 ASP -1 7.169 -11.308 2.625 110 H LYS 0 HN LYS 0 4.048 -11.745 5.646 111 HA LYS 0 HA LYS 0 1.597 -12.192 4.127 112 HB2 LYS 0 HB2 LYS 0 2.800 -14.185 6.055 113 HB3 LYS 0 HB1 LYS 0 1.230 -14.346 5.279 114 HG2 LYS 0 HG2 LYS 0 2.290 -14.490 3.110 115 HG3 LYS 0 HG1 LYS 0 3.872 -14.235 3.841 116 HD2 LYS 0 HD2 LYS 0 3.566 -16.314 5.131 117 HD3 LYS 0 HD1 LYS 0 2.028 -16.576 4.306 118 HE2 LYS 0 HE2 LYS 0 3.754 -17.880 3.249 119 HE3 LYS 0 HE1 LYS 0 3.228 -16.609 2.148 120 HZ1 LYS 0 HZ1 LYS 0 5.628 -16.831 2.148 121 HZ2 LYS 0 HZ2 LYS 0 5.679 -16.642 3.802 122 HZ3 LYS 0 HZ3 LYS 0 5.224 -15.325 2.811 123 H GLY 1 HN GLY 1 0.976 -10.239 5.092 124 HA2 GLY 1 HA2 GLY 1 0.566 -10.166 7.932 125 HA3 GLY 1 HA1 GLY 1 0.085 -8.953 6.758 126 H ILE 2 HN ILE 2 -1.945 -8.922 5.989 127 HA ILE 2 HA ILE 2 -3.788 -10.936 7.089 128 HB ILE 2 HB ILE 2 -4.281 -7.958 6.676 129 HG12 ILE 2 HG12 ILE 2 -4.043 -9.534 9.256 130 HG13 ILE 2 HG11 ILE 2 -2.810 -8.463 8.607 131 HG21 ILE 2 HG21 ILE 2 -6.439 -8.338 7.785 132 HG22 ILE 2 HG22 ILE 2 -6.101 -10.068 7.853 133 HG23 ILE 2 HG23 ILE 2 -6.307 -9.271 6.294 134 HD11 ILE 2 HD11 ILE 2 -5.564 -7.645 9.513 135 HD12 ILE 2 HD12 ILE 2 -4.330 -6.566 8.865 136 HD13 ILE 2 HD13 ILE 2 -4.058 -7.396 10.396 137 H HIS 3 HN HIS 3 -5.271 -11.751 5.646 138 HA HIS 3 HA HIS 3 -4.979 -10.894 2.885 139 HB2 HIS 3 HB2 HIS 3 -6.268 -12.966 2.328 140 HB3 HIS 3 HB1 HIS 3 -4.791 -13.296 3.216 141 HD1 HIS 3 HD1 HIS 3 -5.061 -14.281 5.629 142 HD2 HIS 3 HD2 HIS 3 -8.644 -13.610 3.633 143 HE1 HIS 3 HE1 HIS 3 -6.836 -15.468 6.962 144 H SER 4 HN SER 4 -6.675 -10.126 1.665 145 HA SER 4 HA SER 4 -9.296 -9.894 2.790 146 HB2 SER 4 HB2 SER 4 -7.439 -7.588 2.475 147 HB3 SER 4 HB1 SER 4 -9.175 -7.300 2.262 148 HG SER 4 HG SER 4 -8.207 -8.752 4.446 149 H SER 5 HN SER 5 -10.351 -8.061 0.960 150 HA SER 5 HA SER 5 -9.536 -8.962 -1.629 151 HB2 SER 5 HB2 SER 5 -11.874 -9.866 -2.074 152 HB3 SER 5 HB1 SER 5 -10.839 -10.863 -1.050 153 HG SER 5 HG SER 5 -11.911 -9.682 0.748 154 H VAL 6 HN VAL 6 -10.581 -7.861 -3.288 155 HA VAL 6 HA VAL 6 -11.558 -5.204 -2.570 156 HB VAL 6 HB VAL 6 -10.952 -6.416 -5.283 157 HG11 VAL 6 HG11 VAL 6 -10.979 -4.109 -6.110 158 HG12 VAL 6 HG12 VAL 6 -11.493 -3.544 -4.515 159 HG13 VAL 6 HG13 VAL 6 -12.543 -4.602 -5.462 160 HG21 VAL 6 HG21 VAL 6 -8.934 -5.026 -5.200 161 HG22 VAL 6 HG22 VAL 6 -8.998 -6.278 -3.949 162 HG23 VAL 6 HG23 VAL 6 -9.359 -4.592 -3.531 163 H LYS 7 HN LYS 7 -13.698 -4.825 -2.490 164 HA LYS 7 HA LYS 7 -15.420 -6.682 -3.949 165 HB2 LYS 7 HB2 LYS 7 -15.895 -5.210 -1.350 166 HB3 LYS 7 HB1 LYS 7 -17.063 -6.287 -2.170 167 HG2 LYS 7 HG2 LYS 7 -14.392 -7.138 -1.095 168 HG3 LYS 7 HG1 LYS 7 -15.892 -7.213 -0.175 169 HD2 LYS 7 HD2 LYS 7 -16.845 -8.650 -1.922 170 HD3 LYS 7 HD1 LYS 7 -15.304 -8.624 -2.771 171 HE2 LYS 7 HE2 LYS 7 -14.176 -9.701 -0.957 172 HE3 LYS 7 HE1 LYS 7 -15.586 -9.546 0.081 173 HZ1 LYS 7 HZ1 LYS 7 -15.589 -11.209 -2.402 174 HZ2 LYS 7 HZ2 LYS 7 -16.719 -11.174 -1.139 175 HZ3 LYS 7 HZ3 LYS 7 -15.187 -11.774 -0.871 176 H ARG 8 HN ARG 8 -17.569 -5.530 -4.496 177 HA ARG 8 HA ARG 8 -16.847 -2.898 -5.553 178 HB2 ARG 8 HB2 ARG 8 -17.530 -4.524 -7.202 179 HB3 ARG 8 HB1 ARG 8 -19.099 -4.676 -6.386 180 HG2 ARG 8 HG2 ARG 8 -19.554 -2.339 -6.859 181 HG3 ARG 8 HG1 ARG 8 -17.971 -2.213 -7.638 182 HD2 ARG 8 HD2 ARG 8 -19.890 -4.252 -8.392 183 HD3 ARG 8 HD1 ARG 8 -20.059 -2.630 -9.107 184 HE ARG 8 HE ARG 8 -17.528 -3.177 -9.631 185 HH11 ARG 8 HH11 ARG 8 -20.217 -5.521 -9.922 186 HH12 ARG 8 HH12 ARG 8 -19.632 -6.164 -11.374 187 HH21 ARG 8 HH21 ARG 8 -16.754 -4.153 -11.626 188 HH22 ARG 8 HH22 ARG 8 -17.630 -5.437 -12.321 189 H TRP 9 HN TRP 9 -17.557 -1.226 -4.546 190 HA TRP 9 HA TRP 9 -20.028 -1.324 -2.962 191 HB2 TRP 9 HB2 TRP 9 -17.900 -0.705 -1.817 192 HB3 TRP 9 HB1 TRP 9 -17.691 0.589 -2.947 193 HD1 TRP 9 HD1 TRP 9 -21.232 0.431 -1.725 194 HE1 TRP 9 HE1 TRP 9 -21.593 2.171 0.067 195 HE3 TRP 9 HE3 TRP 9 -16.335 1.899 -0.839 196 HZ2 TRP 9 HZ2 TRP 9 -20.162 3.985 1.545 197 HZ3 TRP 9 HZ3 TRP 9 -15.988 3.620 0.755 198 HH2 TRP 9 HH2 TRP 9 -17.909 4.658 1.975 199 H GLY 10 HN GLY 10 -21.534 -0.976 -4.539 200 HA2 GLY 10 HA2 GLY 10 -22.809 0.276 -5.980 201 HA3 GLY 10 HA1 GLY 10 -21.750 1.652 -5.646 202 H ASN 11 HN ASN 11 -20.709 2.348 -7.372 203 HA ASN 11 HA ASN 11 -19.867 0.369 -9.398 204 HB2 ASN 11 HB2 ASN 11 -20.329 3.342 -9.544 205 HB3 ASN 11 HB1 ASN 11 -19.473 2.458 -10.800 206 HD21 ASN 11 HD21 ASN 11 -22.056 3.902 -10.665 207 HD22 ASN 11 HD22 ASN 11 -23.207 2.788 -11.315 208 H SER 12 HN SER 12 -18.365 0.816 -6.825 209 HA SER 12 HA SER 12 -15.951 1.859 -7.982 210 HB2 SER 12 HB2 SER 12 -16.864 3.683 -6.684 211 HB3 SER 12 HB1 SER 12 -17.217 2.590 -5.354 212 HG SER 12 HG SER 12 -14.603 2.417 -5.924 213 HA PRO 13 HA PRO 13 -14.593 -1.939 -5.991 214 HB2 PRO 13 HB2 PRO 13 -11.936 -1.544 -6.555 215 HB3 PRO 13 HB1 PRO 13 -13.069 -2.256 -7.701 216 HG2 PRO 13 HG2 PRO 13 -12.004 0.516 -7.565 217 HG3 PRO 13 HG1 PRO 13 -12.385 -0.472 -8.980 218 HD2 PRO 13 HD2 PRO 13 -13.981 1.529 -8.050 219 HD3 PRO 13 HD1 PRO 13 -14.606 0.133 -8.945 220 H ALA 14 HN ALA 14 -14.262 -2.044 -3.871 221 HA ALA 14 HA ALA 14 -12.595 -0.016 -2.616 222 HB1 ALA 14 HB1 ALA 14 -15.300 -0.886 -1.598 223 HB2 ALA 14 HB2 ALA 14 -14.942 0.657 -2.367 224 HB3 ALA 14 HB3 ALA 14 -14.200 0.257 -0.820 225 H VAL 15 HN VAL 15 -11.471 -0.737 -0.911 226 HA VAL 15 HA VAL 15 -11.733 -3.602 -0.361 227 HB VAL 15 HB VAL 15 -9.557 -3.012 -1.467 228 HG11 VAL 15 HG11 VAL 15 -8.946 -1.475 1.039 229 HG12 VAL 15 HG12 VAL 15 -9.220 -0.804 -0.568 230 HG13 VAL 15 HG13 VAL 15 -7.815 -1.823 -0.274 231 HG21 VAL 15 HG21 VAL 15 -9.655 -5.004 -0.090 232 HG22 VAL 15 HG22 VAL 15 -9.291 -4.055 1.352 233 HG23 VAL 15 HG23 VAL 15 -8.077 -4.232 0.084 234 H ARG 16 HN ARG 16 -11.767 -4.285 1.699 235 HA ARG 16 HA ARG 16 -12.663 -2.297 3.561 236 HB2 ARG 16 HB2 ARG 16 -12.750 -5.277 3.483 237 HB3 ARG 16 HB1 ARG 16 -13.226 -4.364 4.922 238 HG2 ARG 16 HG2 ARG 16 -14.815 -3.150 3.620 239 HG3 ARG 16 HG1 ARG 16 -14.384 -4.039 2.174 240 HD2 ARG 16 HD2 ARG 16 -15.178 -6.082 3.097 241 HD3 ARG 16 HD1 ARG 16 -15.435 -5.329 4.669 242 HE ARG 16 HE ARG 16 -16.954 -3.835 3.064 243 HH11 ARG 16 HH11 ARG 16 -16.813 -7.359 3.512 244 HH12 ARG 16 HH12 ARG 16 -18.427 -7.623 3.086 245 HH21 ARG 16 HH21 ARG 16 -19.256 -4.212 2.525 246 HH22 ARG 16 HH22 ARG 16 -19.845 -5.793 2.540 247 H ILE 17 HN ILE 17 -11.465 -1.464 5.042 248 HA ILE 17 HA ILE 17 -8.893 -2.663 5.695 249 HB ILE 17 HB ILE 17 -10.040 0.122 6.087 250 HG12 ILE 17 HG12 ILE 17 -7.811 0.810 5.044 251 HG13 ILE 17 HG11 ILE 17 -7.604 -0.887 4.643 252 HG21 ILE 17 HG21 ILE 17 -8.084 0.848 7.221 253 HG22 ILE 17 HG22 ILE 17 -7.501 -0.820 7.331 254 HG23 ILE 17 HG23 ILE 17 -8.986 -0.334 8.185 255 HD11 ILE 17 HD11 ILE 17 -9.856 0.851 3.836 256 HD12 ILE 17 HD12 ILE 17 -9.535 -0.827 3.290 257 HD13 ILE 17 HD13 ILE 17 -8.429 0.489 2.863 258 HA PRO 18 HA PRO 18 -10.725 -4.039 9.550 259 HB2 PRO 18 HB2 PRO 18 -8.072 -4.178 10.736 260 HB3 PRO 18 HB1 PRO 18 -9.162 -5.492 10.304 261 HG2 PRO 18 HG2 PRO 18 -6.800 -4.919 8.989 262 HG3 PRO 18 HG1 PRO 18 -8.142 -5.867 8.341 263 HD2 PRO 18 HD2 PRO 18 -7.326 -3.091 7.714 264 HD3 PRO 18 HD1 PRO 18 -8.213 -4.274 6.735 265 H ALA 19 HN ALA 19 -11.373 -2.920 11.337 266 HA ALA 19 HA ALA 19 -10.788 -0.183 11.550 267 HB1 ALA 19 HB1 ALA 19 -12.886 -1.195 12.296 268 HB2 ALA 19 HB2 ALA 19 -12.137 -0.179 13.523 269 HB3 ALA 19 HB3 ALA 19 -12.040 -1.943 13.661 270 H THR 20 HN THR 20 -9.443 -2.972 13.112 271 HA THR 20 HA THR 20 -7.992 -1.938 15.197 272 HB THR 20 HB THR 20 -7.036 -4.031 13.257 273 HG1 THR 20 HG1 THR 20 -8.983 -4.226 15.315 274 HG21 THR 20 HG21 THR 20 -6.881 -3.796 16.269 275 HG22 THR 20 HG22 THR 20 -5.554 -3.479 15.149 276 HG23 THR 20 HG23 THR 20 -6.211 -5.109 15.301 277 H LEU 21 HN LEU 21 -7.291 -2.001 11.731 278 HA LEU 21 HA LEU 21 -4.623 -1.023 12.031 279 HB2 LEU 21 HB2 LEU 21 -6.377 -1.668 9.733 280 HB3 LEU 21 HB1 LEU 21 -4.967 -0.665 9.467 281 HG LEU 21 HG LEU 21 -4.719 -3.045 9.002 282 HD11 LEU 21 HD11 LEU 21 -2.452 -3.196 10.107 283 HD12 LEU 21 HD12 LEU 21 -2.930 -1.871 11.172 284 HD13 LEU 21 HD13 LEU 21 -2.759 -1.590 9.443 285 HD21 LEU 21 HD21 LEU 21 -5.932 -4.054 10.813 286 HD22 LEU 21 HD22 LEU 21 -4.897 -3.240 11.973 287 HD23 LEU 21 HD23 LEU 21 -4.233 -4.555 10.981 288 H MET 22 HN MET 22 -7.650 0.238 11.214 289 HA MET 22 HA MET 22 -7.013 2.914 10.562 290 HB2 MET 22 HB2 MET 22 -9.248 2.127 12.428 291 HB3 MET 22 HB1 MET 22 -9.083 3.652 11.586 292 HG2 MET 22 HG2 MET 22 -9.493 2.549 9.480 293 HG3 MET 22 HG1 MET 22 -9.547 0.986 10.297 294 HE1 MET 22 HE1 MET 22 -10.927 4.383 11.722 295 HE2 MET 22 HE2 MET 22 -12.581 4.347 11.153 296 HE3 MET 22 HE3 MET 22 -11.257 4.535 9.995 297 H GLN 23 HN GLN 23 -7.563 1.491 13.665 298 HA GLN 23 HA GLN 23 -6.895 3.724 15.235 299 HB2 GLN 23 HB2 GLN 23 -6.904 0.782 15.862 300 HB3 GLN 23 HB1 GLN 23 -6.816 2.089 17.043 301 HG2 GLN 23 HG2 GLN 23 -8.934 2.916 16.352 302 HG3 GLN 23 HG1 GLN 23 -9.046 1.731 15.069 303 HE21 GLN 23 HE21 GLN 23 -10.855 2.208 17.303 304 HE22 GLN 23 HE22 GLN 23 -10.985 0.692 18.129 305 H ALA 24 HN ALA 24 -5.083 1.159 13.812 306 HA ALA 24 HA ALA 24 -2.743 1.566 15.433 307 HB1 ALA 24 HB1 ALA 24 -1.626 -0.019 13.966 308 HB2 ALA 24 HB2 ALA 24 -2.939 0.104 12.801 309 HB3 ALA 24 HB3 ALA 24 -3.233 -0.616 14.385 310 H LEU 25 HN LEU 25 -3.876 2.777 12.384 311 HA LEU 25 HA LEU 25 -1.325 4.022 11.770 312 HB2 LEU 25 HB2 LEU 25 -3.937 4.086 10.319 313 HB3 LEU 25 HB1 LEU 25 -2.389 4.632 9.701 314 HG LEU 25 HG LEU 25 -3.078 1.789 10.420 315 HD11 LEU 25 HD11 LEU 25 -3.013 1.401 8.050 316 HD12 LEU 25 HD12 LEU 25 -2.777 3.141 7.785 317 HD13 LEU 25 HD13 LEU 25 -4.273 2.547 8.510 318 HD21 LEU 25 HD21 LEU 25 -0.971 1.241 9.280 319 HD22 LEU 25 HD22 LEU 25 -0.719 2.204 10.733 320 HD23 LEU 25 HD23 LEU 25 -0.613 2.961 9.142 321 H ASN 26 HN ASN 26 -4.244 4.659 13.268 322 HA ASN 26 HA ASN 26 -5.270 6.329 14.263 323 HB2 ASN 26 HB2 ASN 26 -2.959 6.893 15.173 324 HB3 ASN 26 HB1 ASN 26 -2.824 8.084 13.886 325 HD21 ASN 26 HD21 ASN 26 -4.131 9.962 13.995 326 HD22 ASN 26 HD22 ASN 26 -4.929 10.436 15.457 327 H LEU 27 HN LEU 27 -6.311 6.006 12.053 328 HA LEU 27 HA LEU 27 -6.835 8.656 11.115 329 HB2 LEU 27 HB2 LEU 27 -7.156 7.687 8.910 330 HB3 LEU 27 HB1 LEU 27 -5.471 7.679 9.415 331 HG LEU 27 HG LEU 27 -6.260 5.163 10.082 332 HD11 LEU 27 HD11 LEU 27 -7.558 4.249 8.264 333 HD12 LEU 27 HD12 LEU 27 -7.741 5.866 7.590 334 HD13 LEU 27 HD13 LEU 27 -8.499 5.474 9.144 335 HD21 LEU 27 HD21 LEU 27 -4.284 5.719 8.852 336 HD22 LEU 27 HD22 LEU 27 -5.234 6.090 7.406 337 HD23 LEU 27 HD23 LEU 27 -5.168 4.437 8.039 338 H ASN 28 HN ASN 28 -9.026 8.806 10.267 339 HA ASN 28 HA ASN 28 -10.875 6.902 11.594 340 HB2 ASN 28 HB2 ASN 28 -11.102 9.907 11.337 341 HB3 ASN 28 HB1 ASN 28 -12.397 8.877 11.910 342 HD21 ASN 28 HD21 ASN 28 -10.703 7.139 13.544 343 HD22 ASN 28 HD22 ASN 28 -10.185 8.114 14.857 344 H ILE 29 HN ILE 29 -13.244 7.527 10.712 345 HA ILE 29 HA ILE 29 -13.282 7.000 7.921 346 HB ILE 29 HB ILE 29 -15.476 7.766 9.871 347 HG12 ILE 29 HG12 ILE 29 -14.741 5.491 10.200 348 HG13 ILE 29 HG11 ILE 29 -16.306 5.468 9.433 349 HG21 ILE 29 HG21 ILE 29 -17.178 7.324 8.183 350 HG22 ILE 29 HG22 ILE 29 -15.915 7.112 6.966 351 HG23 ILE 29 HG23 ILE 29 -16.142 8.679 7.730 352 HD11 ILE 29 HD11 ILE 29 -14.894 3.788 8.473 353 HD12 ILE 29 HD12 ILE 29 -13.666 4.985 8.077 354 HD13 ILE 29 HD13 ILE 29 -15.233 5.028 7.265 355 H ASP 30 HN ASP 30 -13.640 8.282 6.234 356 HA ASP 30 HA ASP 30 -13.875 10.008 4.906 357 HB2 ASP 30 HB2 ASP 30 -15.846 10.616 6.340 358 HB3 ASP 30 HB1 ASP 30 -14.777 11.598 7.328 359 H ASP 31 HN ASP 31 -11.446 9.366 6.487 360 HA ASP 31 HA ASP 31 -10.207 11.978 6.622 361 HB2 ASP 31 HB2 ASP 31 -9.989 10.058 8.392 362 HB3 ASP 31 HB1 ASP 31 -8.826 9.380 7.260 363 H GLU 32 HN GLU 32 -8.417 12.346 5.387 364 HA GLU 32 HA GLU 32 -8.670 11.235 2.736 365 HB2 GLU 32 HB2 GLU 32 -8.820 13.604 3.047 366 HB3 GLU 32 HB1 GLU 32 -7.307 13.663 3.900 367 HG2 GLU 32 HG2 GLU 32 -6.124 13.127 1.899 368 HG3 GLU 32 HG1 GLU 32 -7.640 12.881 1.021 369 H VAL 33 HN VAL 33 -7.083 10.060 1.764 370 HA VAL 33 HA VAL 33 -4.647 9.690 3.276 371 HB VAL 33 HB VAL 33 -4.559 7.307 2.954 372 HG11 VAL 33 HG11 VAL 33 -7.325 8.016 3.648 373 HG12 VAL 33 HG12 VAL 33 -5.933 8.080 4.774 374 HG13 VAL 33 HG13 VAL 33 -6.505 6.516 4.104 375 HG21 VAL 33 HG21 VAL 33 -7.079 7.541 1.357 376 HG22 VAL 33 HG22 VAL 33 -6.272 6.033 1.818 377 HG23 VAL 33 HG23 VAL 33 -5.456 7.171 0.733 378 H LYS 34 HN LYS 34 -2.849 8.868 2.011 379 HA LYS 34 HA LYS 34 -3.010 9.928 -0.704 380 HB2 LYS 34 HB2 LYS 34 -1.352 10.850 1.035 381 HB3 LYS 34 HB1 LYS 34 -0.529 9.316 0.876 382 HG2 LYS 34 HG2 LYS 34 0.122 9.777 -1.327 383 HG3 LYS 34 HG1 LYS 34 -1.095 11.066 -1.449 384 HD2 LYS 34 HD2 LYS 34 1.206 11.965 -1.197 385 HD3 LYS 34 HD1 LYS 34 0.106 12.454 0.088 386 HE2 LYS 34 HE2 LYS 34 2.206 11.898 1.085 387 HE3 LYS 34 HE1 LYS 34 1.067 10.633 1.504 388 HZ1 LYS 34 HZ1 LYS 34 2.036 9.318 -0.389 389 HZ2 LYS 34 HZ2 LYS 34 3.081 9.612 0.883 390 HZ3 LYS 34 HZ3 LYS 34 3.182 10.533 -0.550 391 H ILE 35 HN ILE 35 -2.951 8.587 -2.334 392 HA ILE 35 HA ILE 35 -2.393 5.748 -1.881 393 HB ILE 35 HB ILE 35 -3.686 7.075 -4.270 394 HG12 ILE 35 HG12 ILE 35 -5.058 7.552 -2.311 395 HG13 ILE 35 HG11 ILE 35 -5.876 6.455 -3.410 396 HG21 ILE 35 HG21 ILE 35 -2.811 4.873 -4.699 397 HG22 ILE 35 HG22 ILE 35 -4.582 4.858 -4.711 398 HG23 ILE 35 HG23 ILE 35 -3.707 4.237 -3.311 399 HD11 ILE 35 HD11 ILE 35 -4.499 5.706 -0.843 400 HD12 ILE 35 HD12 ILE 35 -5.329 4.588 -1.932 401 HD13 ILE 35 HD13 ILE 35 -6.240 5.850 -1.094 402 H ASP 36 HN ASP 36 -0.290 5.384 -2.380 403 HA ASP 36 HA ASP 36 0.750 6.714 -4.781 404 HB2 ASP 36 HB2 ASP 36 2.235 5.933 -2.255 405 HB3 ASP 36 HB1 ASP 36 3.078 6.327 -3.747 406 H LEU 37 HN LEU 37 1.797 5.427 -6.386 407 HA LEU 37 HA LEU 37 1.420 2.654 -5.996 408 HB2 LEU 37 HB2 LEU 37 0.543 4.085 -7.978 409 HB3 LEU 37 HB1 LEU 37 2.236 4.192 -8.412 410 HG LEU 37 HG LEU 37 1.053 2.538 -9.741 411 HD11 LEU 37 HD11 LEU 37 3.354 2.280 -9.470 412 HD12 LEU 37 HD12 LEU 37 2.598 0.660 -9.417 413 HD13 LEU 37 HD13 LEU 37 3.113 1.494 -7.925 414 HD21 LEU 37 HD21 LEU 37 0.742 0.975 -7.214 415 HD22 LEU 37 HD22 LEU 37 0.105 0.586 -8.831 416 HD23 LEU 37 HD23 LEU 37 -0.498 1.988 -7.926 417 H VAL 38 HN VAL 38 3.106 1.526 -5.731 418 HA VAL 38 HA VAL 38 5.828 2.399 -6.384 419 HB VAL 38 HB VAL 38 5.228 1.432 -3.591 420 HG11 VAL 38 HG11 VAL 38 7.707 2.635 -4.782 421 HG12 VAL 38 HG12 VAL 38 7.466 0.971 -4.247 422 HG13 VAL 38 HG13 VAL 38 7.493 2.283 -3.072 423 HG21 VAL 38 HG21 VAL 38 5.650 3.738 -2.743 424 HG22 VAL 38 HG22 VAL 38 4.190 3.620 -3.725 425 HG23 VAL 38 HG23 VAL 38 5.657 4.312 -4.413 426 H ASP 39 HN ASP 39 6.911 0.677 -7.115 427 HA ASP 39 HA ASP 39 7.645 -1.432 -7.551 428 HB2 ASP 39 HB2 ASP 39 7.848 -1.512 -5.006 429 HB3 ASP 39 HB1 ASP 39 6.272 -2.291 -4.984 430 H GLY 40 HN GLY 40 4.967 -0.462 -8.303 431 HA2 GLY 40 HA2 GLY 40 3.325 -1.283 -9.693 432 HA3 GLY 40 HA1 GLY 40 4.044 -2.876 -9.523 433 H LYS 41 HN LYS 41 3.157 -1.149 -6.613 434 HA LYS 41 HA LYS 41 0.595 -2.485 -6.568 435 HB2 LYS 41 HB2 LYS 41 1.016 -3.335 -4.274 436 HB3 LYS 41 HB1 LYS 41 2.022 -4.124 -5.488 437 HG2 LYS 41 HG2 LYS 41 3.624 -2.103 -4.555 438 HG3 LYS 41 HG1 LYS 41 2.682 -2.538 -3.139 439 HD2 LYS 41 HD2 LYS 41 3.236 -4.903 -3.456 440 HD3 LYS 41 HD1 LYS 41 4.235 -4.479 -4.843 441 HE2 LYS 41 HE2 LYS 41 5.590 -3.034 -3.286 442 HE3 LYS 41 HE1 LYS 41 4.657 -3.721 -1.967 443 HZ1 LYS 41 HZ1 LYS 41 6.449 -5.135 -3.826 444 HZ2 LYS 41 HZ2 LYS 41 5.387 -5.945 -2.793 445 HZ3 LYS 41 HZ3 LYS 41 6.632 -4.992 -2.149 446 H LEU 42 HN LEU 42 -0.695 -1.761 -4.618 447 HA LEU 42 HA LEU 42 -0.417 1.118 -4.580 448 HB2 LEU 42 HB2 LEU 42 -2.677 -0.679 -3.741 449 HB3 LEU 42 HB1 LEU 42 -2.682 1.043 -3.424 450 HG LEU 42 HG LEU 42 -2.422 -0.094 -6.159 451 HD11 LEU 42 HD11 LEU 42 -4.958 0.692 -4.665 452 HD12 LEU 42 HD12 LEU 42 -4.526 -0.947 -5.156 453 HD13 LEU 42 HD13 LEU 42 -4.900 0.271 -6.375 454 HD21 LEU 42 HD21 LEU 42 -3.252 2.610 -5.112 455 HD22 LEU 42 HD22 LEU 42 -3.564 2.081 -6.744 456 HD23 LEU 42 HD23 LEU 42 -1.914 2.269 -6.231 457 H ILE 43 HN ILE 43 0.048 2.234 -3.048 458 HA ILE 43 HA ILE 43 0.692 0.946 -0.494 459 HB ILE 43 HB ILE 43 1.935 3.270 -1.903 460 HG12 ILE 43 HG12 ILE 43 2.462 1.315 -3.098 461 HG13 ILE 43 HG11 ILE 43 3.902 1.872 -2.227 462 HG21 ILE 43 HG21 ILE 43 2.848 1.914 0.611 463 HG22 ILE 43 HG22 ILE 43 2.127 3.525 0.464 464 HG23 ILE 43 HG23 ILE 43 3.709 3.199 -0.261 465 HD11 ILE 43 HD11 ILE 43 3.773 0.032 -0.732 466 HD12 ILE 43 HD12 ILE 43 3.494 -0.640 -2.349 467 HD13 ILE 43 HD13 ILE 43 2.146 -0.372 -1.269 468 H ILE 44 HN ILE 44 -0.250 1.832 1.201 469 HA ILE 44 HA ILE 44 -1.965 4.189 0.726 470 HB ILE 44 HB ILE 44 -2.461 1.960 2.708 471 HG12 ILE 44 HG12 ILE 44 -2.707 1.068 0.444 472 HG13 ILE 44 HG11 ILE 44 -4.276 1.177 1.226 473 HG21 ILE 44 HG21 ILE 44 -4.241 4.231 1.825 474 HG22 ILE 44 HG22 ILE 44 -3.455 4.064 3.394 475 HG23 ILE 44 HG23 ILE 44 -4.717 2.928 2.915 476 HD11 ILE 44 HD11 ILE 44 -3.173 3.070 -0.839 477 HD12 ILE 44 HD12 ILE 44 -4.749 3.207 -0.059 478 HD13 ILE 44 HD13 ILE 44 -4.398 1.830 -1.101 479 H GLU 45 HN GLU 45 -0.942 5.808 1.612 480 HA GLU 45 HA GLU 45 0.221 5.476 4.279 481 HB2 GLU 45 HB2 GLU 45 1.861 5.846 2.437 482 HB3 GLU 45 HB1 GLU 45 1.009 7.302 1.975 483 HG2 GLU 45 HG2 GLU 45 1.727 8.390 4.004 484 HG3 GLU 45 HG1 GLU 45 2.468 6.882 4.576 485 HA PRO 46 HA PRO 46 -3.096 8.272 4.961 486 HB2 PRO 46 HB2 PRO 46 -2.151 8.967 7.615 487 HB3 PRO 46 HB1 PRO 46 -3.529 7.961 7.154 488 HG2 PRO 46 HG2 PRO 46 -1.332 7.101 8.298 489 HG3 PRO 46 HG1 PRO 46 -2.336 6.051 7.239 490 HD2 PRO 46 HD2 PRO 46 0.200 7.587 6.654 491 HD3 PRO 46 HD1 PRO 46 -0.123 5.953 6.089 492 H VAL 47 HN VAL 47 -3.422 10.512 5.811 493 HA VAL 47 HA VAL 47 -1.146 12.117 4.871 494 HB VAL 47 HB VAL 47 -4.003 13.121 4.927 495 HG11 VAL 47 HG11 VAL 47 -2.252 14.847 5.057 496 HG12 VAL 47 HG12 VAL 47 -3.135 14.882 3.505 497 HG13 VAL 47 HG13 VAL 47 -1.541 14.126 3.594 498 HG21 VAL 47 HG21 VAL 47 -3.871 11.411 3.277 499 HG22 VAL 47 HG22 VAL 47 -2.377 12.135 2.626 500 HG23 VAL 47 HG23 VAL 47 -3.906 12.976 2.454 501 H ARG 48 HN ARG 48 -0.099 12.935 6.364 502 HA ARG 48 HA ARG 48 -1.050 13.406 9.033 503 HB2 ARG 48 HB2 ARG 48 1.329 14.553 7.609 504 HB3 ARG 48 HB1 ARG 48 1.018 14.623 9.327 505 HG2 ARG 48 HG2 ARG 48 1.372 12.254 9.519 506 HG3 ARG 48 HG1 ARG 48 1.557 12.120 7.761 507 HD2 ARG 48 HD2 ARG 48 3.192 13.903 9.500 508 HD3 ARG 48 HD1 ARG 48 3.733 12.288 9.009 509 HE ARG 48 HE ARG 48 3.873 13.024 6.796 510 HH11 ARG 48 HH11 ARG 48 3.112 15.743 8.981 511 HH12 ARG 48 HH12 ARG 48 3.542 16.978 7.908 512 HH21 ARG 48 HH21 ARG 48 4.578 14.778 5.283 513 HH22 ARG 48 HH22 ARG 48 4.474 16.399 5.784 514 H LYS 49 HN LYS 49 -1.849 15.340 9.791 515 HA LYS 49 HA LYS 49 -2.386 17.305 7.698 516 HB2 LYS 49 HB2 LYS 49 -3.419 17.312 10.533 517 HB3 LYS 49 HB1 LYS 49 -4.063 18.150 9.137 518 HG2 LYS 49 HG2 LYS 49 -4.210 15.178 9.678 519 HG3 LYS 49 HG1 LYS 49 -5.536 16.326 9.762 520 HD2 LYS 49 HD2 LYS 49 -5.299 16.703 7.296 521 HD3 LYS 49 HD1 LYS 49 -4.029 15.474 7.270 522 HE2 LYS 49 HE2 LYS 49 -6.911 15.062 8.022 523 HE3 LYS 49 HE1 LYS 49 -6.115 14.519 6.556 524 HZ1 LYS 49 HZ1 LYS 49 -5.560 13.556 9.320 525 HZ2 LYS 49 HZ2 LYS 49 -4.666 13.092 7.962 526 HZ3 LYS 49 HZ3 LYS 49 -6.305 12.703 8.073 527 H GLU 50 HN GLU 50 -0.515 18.195 7.434 528 HA GLU 50 HA GLU 50 0.300 20.475 8.330 529 HB2 GLU 50 HB2 GLU 50 0.669 19.370 10.659 530 HB3 GLU 50 HB1 GLU 50 1.950 18.437 9.897 531 HG2 GLU 50 HG2 GLU 50 3.112 20.526 9.334 532 HG3 GLU 50 HG1 GLU 50 1.839 21.436 10.134 533 H1 ASN -16 HT1 ASN -16 7.238 20.491 -20.291 534 H2 ASN -16 HT2 ASN -16 7.684 19.098 -21.189 535 H3 ASN -16 HT3 ASN -16 8.852 20.182 -20.700 536 HA ASN -16 HA ASN -16 8.562 19.644 -18.435 537 HB2 ASN -16 HB2 ASN -16 7.066 17.825 -17.732 538 HB3 ASN -16 HB1 ASN -16 6.119 19.084 -18.501 539 HD21 ASN -16 HD21 ASN -16 5.483 16.265 -18.093 540 HD22 ASN -16 HD22 ASN -16 5.185 15.624 -19.667 541 H HIS -15 HN HIS -15 9.448 17.479 -17.532 542 HA HIS -15 HA HIS -15 11.146 16.462 -19.646 543 HB2 HIS -15 HB2 HIS -15 11.349 16.128 -16.651 544 HB3 HIS -15 HB1 HIS -15 12.428 15.354 -17.802 545 HD1 HIS -15 HD1 HIS -15 12.983 17.682 -15.542 546 HD2 HIS -15 HD2 HIS -15 13.006 17.980 -19.676 547 HE1 HIS -15 HE1 HIS -15 14.472 19.647 -16.098 548 H LYS -14 HN LYS -14 9.810 15.145 -20.735 549 HA LYS -14 HA LYS -14 9.190 12.692 -19.269 550 HB2 LYS -14 HB2 LYS -14 7.129 13.858 -20.098 551 HB3 LYS -14 HB1 LYS -14 7.731 13.661 -21.741 552 HG2 LYS -14 HG2 LYS -14 7.733 11.261 -21.474 553 HG3 LYS -14 HG1 LYS -14 7.121 11.428 -19.833 554 HD2 LYS -14 HD2 LYS -14 5.087 12.448 -20.702 555 HD3 LYS -14 HD1 LYS -14 5.716 12.316 -22.347 556 HE2 LYS -14 HE2 LYS -14 5.133 10.034 -20.461 557 HE3 LYS -14 HE1 LYS -14 4.189 10.474 -21.880 558 HZ1 LYS -14 HZ1 LYS -14 6.186 9.981 -23.245 559 HZ2 LYS -14 HZ2 LYS -14 5.614 8.647 -22.409 560 HZ3 LYS -14 HZ3 LYS -14 6.984 9.434 -21.864 561 H VAL -13 HN VAL -13 10.136 14.004 -22.426 562 HA VAL -13 HA VAL -13 11.230 11.472 -23.232 563 HB VAL -13 HB VAL -13 11.711 14.225 -24.440 564 HG11 VAL -13 HG11 VAL -13 13.407 12.614 -25.111 565 HG12 VAL -13 HG12 VAL -13 12.333 12.984 -26.466 566 HG13 VAL -13 HG13 VAL -13 12.150 11.471 -25.587 567 HG21 VAL -13 HG21 VAL -13 10.013 13.597 -26.090 568 HG22 VAL -13 HG22 VAL -13 9.348 13.662 -24.459 569 HG23 VAL -13 HG23 VAL -13 9.711 12.105 -25.202 570 H HIS -12 HN HIS -12 12.442 14.566 -22.091 571 HA HIS -12 HA HIS -12 15.151 13.548 -21.793 572 HB2 HIS -12 HB2 HIS -12 13.929 16.248 -21.139 573 HB3 HIS -12 HB1 HIS -12 15.629 15.856 -20.938 574 HD1 HIS -12 HD1 HIS -12 13.271 17.203 -23.392 575 HD2 HIS -12 HD2 HIS -12 16.940 15.252 -23.476 576 HE1 HIS -12 HE1 HIS -12 14.251 17.665 -25.651 577 H HIS -11 HN HIS -11 12.817 12.550 -20.267 578 HA HIS -11 HA HIS -11 12.946 13.373 -17.556 579 HB2 HIS -11 HB2 HIS -11 11.040 12.141 -18.642 580 HB3 HIS -11 HB1 HIS -11 12.037 10.698 -18.636 581 HD1 HIS -11 HD1 HIS -11 10.208 13.021 -16.284 582 HD2 HIS -11 HD2 HIS -11 12.096 9.334 -16.286 583 HE1 HIS -11 HE1 HIS -11 9.641 11.953 -14.079 584 H HIS -10 HN HIS -10 14.362 10.630 -19.338 585 HA HIS -10 HA HIS -10 16.254 9.423 -19.059 586 HB2 HIS -10 HB2 HIS -10 17.154 11.810 -18.995 587 HB3 HIS -10 HB1 HIS -10 17.144 11.692 -17.246 588 HD1 HIS -10 HD1 HIS -10 19.400 11.091 -16.305 589 HD2 HIS -10 HD2 HIS -10 18.858 9.645 -20.157 590 HE1 HIS -10 HE1 HIS -10 21.597 10.113 -16.992 591 H HIS -9 HN HIS -9 13.986 9.216 -17.161 592 HA HIS -9 HA HIS -9 13.282 8.208 -15.248 593 HB2 HIS -9 HB2 HIS -9 15.924 6.764 -15.535 594 HB3 HIS -9 HB1 HIS -9 14.694 6.322 -14.356 595 HD1 HIS -9 HD1 HIS -9 15.711 5.678 -17.800 596 HD2 HIS -9 HD2 HIS -9 12.178 5.547 -15.625 597 HE1 HIS -9 HE1 HIS -9 14.116 4.265 -19.138 598 H HIS -8 HN HIS -8 14.910 10.680 -15.071 599 HA HIS -8 HA HIS -8 16.326 10.555 -12.594 600 HB2 HIS -8 HB2 HIS -8 16.863 12.222 -14.347 601 HB3 HIS -8 HB1 HIS -8 15.277 12.937 -14.142 602 HD1 HIS -8 HD1 HIS -8 14.918 14.423 -11.969 603 HD2 HIS -8 HD2 HIS -8 18.770 12.928 -12.456 604 HE1 HIS -8 HE1 HIS -8 16.375 15.739 -10.420 605 H HIS -7 HN HIS -7 13.110 11.487 -13.619 606 HA HIS -7 HA HIS -7 11.196 12.031 -12.568 607 HB2 HIS -7 HB2 HIS -7 12.511 10.644 -10.205 608 HB3 HIS -7 HB1 HIS -7 10.892 11.312 -10.128 609 HD1 HIS -7 HD1 HIS -7 9.020 9.812 -10.901 610 HD2 HIS -7 HD2 HIS -7 12.775 8.456 -12.074 611 HE1 HIS -7 HE1 HIS -7 8.673 7.507 -11.883 612 H MET -6 HN MET -6 10.401 13.214 -10.396 613 HA MET -6 HA MET -6 12.313 15.397 -9.941 614 HB2 MET -6 HB2 MET -6 10.202 16.013 -11.151 615 HB3 MET -6 HB1 MET -6 9.280 15.427 -9.780 616 HG2 MET -6 HG2 MET -6 10.305 17.172 -8.379 617 HG3 MET -6 HG1 MET -6 11.184 17.765 -9.786 618 HE1 MET -6 HE1 MET -6 8.510 20.562 -9.218 619 HE2 MET -6 HE2 MET -6 10.226 20.200 -9.396 620 HE3 MET -6 HE3 MET -6 9.350 19.632 -7.975 621 H SER -5 HN SER -5 10.958 12.674 -8.766 622 HA SER -5 HA SER -5 10.828 11.589 -6.843 623 HB2 SER -5 HB2 SER -5 12.340 13.947 -5.674 624 HB3 SER -5 HB1 SER -5 12.054 12.423 -4.827 625 HG SER -5 HG SER -5 13.118 11.387 -6.585 626 H ASP -4 HN ASP -4 9.859 14.885 -6.667 627 HA ASP -4 HA ASP -4 7.936 14.736 -4.608 628 HB2 ASP -4 HB2 ASP -4 8.823 16.850 -5.566 629 HB3 ASP -4 HB1 ASP -4 7.977 16.506 -7.065 630 H ASP -3 HN ASP -3 7.948 13.762 -7.831 631 HA ASP -3 HA ASP -3 5.096 13.383 -8.153 632 HB2 ASP -3 HB2 ASP -3 5.638 12.348 -10.300 633 HB3 ASP -3 HB1 ASP -3 6.530 13.850 -10.116 634 H ASP -2 HN ASP -2 7.548 11.754 -6.627 635 HA ASP -2 HA ASP -2 6.495 9.087 -7.078 636 HB2 ASP -2 HB2 ASP -2 8.870 9.239 -7.216 637 HB3 ASP -2 HB1 ASP -2 8.965 10.116 -5.696 638 H ASP -1 HN ASP -1 6.814 11.481 -4.487 639 HA ASP -1 HA ASP -1 5.540 9.642 -2.619 640 HB2 ASP -1 HB2 ASP -1 6.003 11.267 -0.913 641 HB3 ASP -1 HB1 ASP -1 7.464 11.010 -1.857 642 H LYS 0 HN LYS 0 4.431 11.577 -4.950 643 HA LYS 0 HA LYS 0 1.965 12.108 -3.465 644 HB2 LYS 0 HB2 LYS 0 3.267 14.038 -5.387 645 HB3 LYS 0 HB1 LYS 0 1.678 14.249 -4.668 646 HG2 LYS 0 HG2 LYS 0 2.672 14.429 -2.469 647 HG3 LYS 0 HG1 LYS 0 4.271 14.115 -3.143 648 HD2 LYS 0 HD2 LYS 0 4.080 16.151 -4.499 649 HD3 LYS 0 HD1 LYS 0 2.496 16.463 -3.790 650 HE2 LYS 0 HE2 LYS 0 4.152 17.801 -2.663 651 HE3 LYS 0 HE1 LYS 0 3.550 16.559 -1.571 652 HZ1 LYS 0 HZ1 LYS 0 5.909 16.736 -1.376 653 HZ2 LYS 0 HZ2 LYS 0 6.133 16.579 -3.025 654 HZ3 LYS 0 HZ3 LYS 0 5.601 15.242 -2.110 655 H GLY 1 HN GLY 1 1.321 10.142 -4.474 656 HA2 GLY 1 HA2 GLY 1 0.970 10.118 -7.333 657 HA3 GLY 1 HA1 GLY 1 0.435 8.895 -6.195 658 H ILE 2 HN ILE 2 -1.621 8.966 -5.379 659 HA ILE 2 HA ILE 2 -3.415 10.967 -6.582 660 HB ILE 2 HB ILE 2 -3.912 7.992 -6.108 661 HG12 ILE 2 HG12 ILE 2 -3.655 9.529 -8.708 662 HG13 ILE 2 HG11 ILE 2 -2.448 8.442 -8.042 663 HG21 ILE 2 HG21 ILE 2 -6.069 8.308 -7.212 664 HG22 ILE 2 HG22 ILE 2 -5.749 10.031 -7.358 665 HG23 ILE 2 HG23 ILE 2 -5.956 9.310 -5.760 666 HD11 ILE 2 HD11 ILE 2 -5.214 7.663 -8.950 667 HD12 ILE 2 HD12 ILE 2 -3.993 6.565 -8.304 668 HD13 ILE 2 HD13 ILE 2 -3.712 7.394 -9.836 669 H HIS 3 HN HIS 3 -5.093 11.700 -5.176 670 HA HIS 3 HA HIS 3 -4.723 10.856 -2.411 671 HB2 HIS 3 HB2 HIS 3 -5.793 13.005 -1.728 672 HB3 HIS 3 HB1 HIS 3 -4.316 13.241 -2.639 673 HD1 HIS 3 HD1 HIS 3 -4.534 14.475 -4.937 674 HD2 HIS 3 HD2 HIS 3 -8.137 13.892 -2.947 675 HE1 HIS 3 HE1 HIS 3 -6.217 15.938 -6.101 676 H SER 4 HN SER 4 -6.386 10.131 -1.223 677 HA SER 4 HA SER 4 -9.027 10.032 -2.384 678 HB2 SER 4 HB2 SER 4 -7.294 7.675 -1.804 679 HB3 SER 4 HB1 SER 4 -9.038 7.494 -1.838 680 HG SER 4 HG SER 4 -7.934 8.871 -3.963 681 H SER 5 HN SER 5 -10.101 8.179 -0.490 682 HA SER 5 HA SER 5 -9.398 9.190 2.087 683 HB2 SER 5 HB2 SER 5 -11.809 10.006 2.364 684 HB3 SER 5 HB1 SER 5 -10.706 11.027 1.436 685 HG SER 5 HG SER 5 -12.001 10.852 -0.126 686 H VAL 6 HN VAL 6 -10.445 8.065 3.734 687 HA VAL 6 HA VAL 6 -11.434 5.416 3.009 688 HB VAL 6 HB VAL 6 -10.831 6.624 5.727 689 HG11 VAL 6 HG11 VAL 6 -10.944 4.317 6.562 690 HG12 VAL 6 HG12 VAL 6 -11.432 3.760 4.961 691 HG13 VAL 6 HG13 VAL 6 -12.483 4.843 5.881 692 HG21 VAL 6 HG21 VAL 6 -8.858 5.169 5.671 693 HG22 VAL 6 HG22 VAL 6 -8.871 6.412 4.406 694 HG23 VAL 6 HG23 VAL 6 -9.290 4.736 4.004 695 H LYS 7 HN LYS 7 -13.591 5.133 2.829 696 HA LYS 7 HA LYS 7 -15.261 7.018 4.315 697 HB2 LYS 7 HB2 LYS 7 -15.793 5.563 1.721 698 HB3 LYS 7 HB1 LYS 7 -16.928 6.656 2.551 699 HG2 LYS 7 HG2 LYS 7 -14.246 7.462 1.467 700 HG3 LYS 7 HG1 LYS 7 -15.747 7.572 0.553 701 HD2 LYS 7 HD2 LYS 7 -16.665 9.015 2.304 702 HD3 LYS 7 HD1 LYS 7 -15.118 8.965 3.153 703 HE2 LYS 7 HE2 LYS 7 -13.985 10.017 1.323 704 HE3 LYS 7 HE1 LYS 7 -15.409 9.887 0.308 705 HZ1 LYS 7 HZ1 LYS 7 -15.286 11.592 2.759 706 HZ2 LYS 7 HZ2 LYS 7 -16.501 11.554 1.599 707 HZ3 LYS 7 HZ3 LYS 7 -14.962 12.103 1.199 708 H ARG 8 HN ARG 8 -17.464 5.914 4.788 709 HA ARG 8 HA ARG 8 -16.791 3.282 5.843 710 HB2 ARG 8 HB2 ARG 8 -17.447 4.842 7.542 711 HB3 ARG 8 HB1 ARG 8 -18.974 5.168 6.707 712 HG2 ARG 8 HG2 ARG 8 -19.640 2.847 7.082 713 HG3 ARG 8 HG1 ARG 8 -18.090 2.547 7.871 714 HD2 ARG 8 HD2 ARG 8 -20.069 4.589 8.797 715 HD3 ARG 8 HD1 ARG 8 -20.010 2.929 9.388 716 HE ARG 8 HE ARG 8 -17.605 3.534 9.971 717 HH11 ARG 8 HH11 ARG 8 -20.168 5.954 10.034 718 HH12 ARG 8 HH12 ARG 8 -19.628 6.686 11.472 719 HH21 ARG 8 HH21 ARG 8 -16.859 4.533 11.917 720 HH22 ARG 8 HH22 ARG 8 -17.660 5.895 12.544 721 H TRP 9 HN TRP 9 -17.595 1.593 4.923 722 HA TRP 9 HA TRP 9 -20.027 1.736 3.273 723 HB2 TRP 9 HB2 TRP 9 -17.881 1.068 2.164 724 HB3 TRP 9 HB1 TRP 9 -17.728 -0.224 3.302 725 HD1 TRP 9 HD1 TRP 9 -21.267 -0.071 2.055 726 HE1 TRP 9 HE1 TRP 9 -21.596 -1.813 0.252 727 HE3 TRP 9 HE3 TRP 9 -16.356 -1.494 1.155 728 HZ2 TRP 9 HZ2 TRP 9 -20.172 -3.585 -1.240 729 HZ3 TRP 9 HZ3 TRP 9 -16.006 -3.203 -0.458 730 HH2 TRP 9 HH2 TRP 9 -17.929 -4.236 -1.684 731 H GLY 10 HN GLY 10 -21.572 1.370 4.818 732 HA2 GLY 10 HA2 GLY 10 -22.890 0.072 6.176 733 HA3 GLY 10 HA1 GLY 10 -21.780 -1.268 5.903 734 H ASN 11 HN ASN 11 -20.843 -1.939 7.684 735 HA ASN 11 HA ASN 11 -19.998 0.075 9.661 736 HB2 ASN 11 HB2 ASN 11 -20.587 -2.880 9.964 737 HB3 ASN 11 HB1 ASN 11 -19.827 -1.917 11.225 738 HD21 ASN 11 HD21 ASN 11 -22.407 -3.354 11.162 739 HD22 ASN 11 HD22 ASN 11 -23.586 -2.179 11.566 740 H SER 12 HN SER 12 -18.470 -0.514 7.142 741 HA SER 12 HA SER 12 -16.105 -1.584 8.357 742 HB2 SER 12 HB2 SER 12 -17.067 -3.368 7.023 743 HB3 SER 12 HB1 SER 12 -17.358 -2.249 5.703 744 HG SER 12 HG SER 12 -14.758 -2.155 6.291 745 HA PRO 13 HA PRO 13 -14.663 2.213 6.375 746 HB2 PRO 13 HB2 PRO 13 -12.017 1.789 6.954 747 HB3 PRO 13 HB1 PRO 13 -13.154 2.498 8.109 748 HG2 PRO 13 HG2 PRO 13 -12.109 -0.284 7.938 749 HG3 PRO 13 HG1 PRO 13 -12.488 0.688 9.366 750 HD2 PRO 13 HD2 PRO 13 -14.103 -1.289 8.388 751 HD3 PRO 13 HD1 PRO 13 -14.712 0.095 9.313 752 H ALA 14 HN ALA 14 -14.269 2.348 4.250 753 HA ALA 14 HA ALA 14 -12.635 0.285 3.016 754 HB1 ALA 14 HB1 ALA 14 -15.308 1.209 1.964 755 HB2 ALA 14 HB2 ALA 14 -14.991 -0.342 2.736 756 HB3 ALA 14 HB3 ALA 14 -14.222 0.045 1.198 757 H VAL 15 HN VAL 15 -11.434 1.004 1.369 758 HA VAL 15 HA VAL 15 -11.658 3.865 0.795 759 HB VAL 15 HB VAL 15 -9.507 3.244 1.937 760 HG11 VAL 15 HG11 VAL 15 -8.889 1.681 -0.551 761 HG12 VAL 15 HG12 VAL 15 -9.202 1.022 1.054 762 HG13 VAL 15 HG13 VAL 15 -7.772 2.016 0.775 763 HG21 VAL 15 HG21 VAL 15 -9.550 5.226 0.545 764 HG22 VAL 15 HG22 VAL 15 -9.183 4.261 -0.883 765 HG23 VAL 15 HG23 VAL 15 -7.983 4.426 0.400 766 H ARG 16 HN ARG 16 -11.672 4.553 -1.259 767 HA ARG 16 HA ARG 16 -12.559 2.594 -3.140 768 HB2 ARG 16 HB2 ARG 16 -12.552 5.580 -3.084 769 HB3 ARG 16 HB1 ARG 16 -13.012 4.676 -4.530 770 HG2 ARG 16 HG2 ARG 16 -14.676 3.510 -3.269 771 HG3 ARG 16 HG1 ARG 16 -14.271 4.398 -1.817 772 HD2 ARG 16 HD2 ARG 16 -14.984 6.454 -2.781 773 HD3 ARG 16 HD1 ARG 16 -15.208 5.693 -4.359 774 HE ARG 16 HE ARG 16 -16.849 4.243 -2.931 775 HH11 ARG 16 HH11 ARG 16 -16.509 7.784 -2.877 776 HH12 ARG 16 HH12 ARG 16 -18.104 8.060 -2.381 777 HH21 ARG 16 HH21 ARG 16 -19.094 4.672 -2.297 778 HH22 ARG 16 HH22 ARG 16 -19.587 6.274 -2.034 779 H ILE 17 HN ILE 17 -11.376 1.732 -4.636 780 HA ILE 17 HA ILE 17 -8.752 2.848 -5.239 781 HB ILE 17 HB ILE 17 -9.963 0.091 -5.647 782 HG12 ILE 17 HG12 ILE 17 -7.752 -0.638 -4.557 783 HG13 ILE 17 HG11 ILE 17 -7.560 1.052 -4.121 784 HG21 ILE 17 HG21 ILE 17 -7.989 -0.685 -6.730 785 HG22 ILE 17 HG22 ILE 17 -7.373 0.971 -6.841 786 HG23 ILE 17 HG23 ILE 17 -8.847 0.505 -7.720 787 HD11 ILE 17 HD11 ILE 17 -9.846 -0.687 -3.423 788 HD12 ILE 17 HD12 ILE 17 -9.534 0.977 -2.832 789 HD13 ILE 17 HD13 ILE 17 -8.452 -0.359 -2.395 790 HA PRO 18 HA PRO 18 -10.512 4.259 -9.100 791 HB2 PRO 18 HB2 PRO 18 -7.832 4.340 -10.247 792 HB3 PRO 18 HB1 PRO 18 -8.919 5.676 -9.867 793 HG2 PRO 18 HG2 PRO 18 -6.600 5.116 -8.491 794 HG3 PRO 18 HG1 PRO 18 -7.963 6.050 -7.865 795 HD2 PRO 18 HD2 PRO 18 -7.154 3.262 -7.264 796 HD3 PRO 18 HD1 PRO 18 -8.039 4.442 -6.263 797 H ALA 19 HN ALA 19 -11.220 3.089 -10.804 798 HA ALA 19 HA ALA 19 -10.602 0.367 -11.067 799 HB1 ALA 19 HB1 ALA 19 -12.743 1.347 -11.781 800 HB2 ALA 19 HB2 ALA 19 -11.999 0.357 -13.033 801 HB3 ALA 19 HB3 ALA 19 -11.914 2.119 -13.140 802 H THR 20 HN THR 20 -9.269 3.150 -12.584 803 HA THR 20 HA THR 20 -7.875 2.080 -14.730 804 HB THR 20 HB THR 20 -7.034 4.297 -12.862 805 HG1 THR 20 HG1 THR 20 -9.040 4.028 -14.797 806 HG21 THR 20 HG21 THR 20 -6.612 3.925 -15.843 807 HG22 THR 20 HG22 THR 20 -5.387 3.661 -14.608 808 HG23 THR 20 HG23 THR 20 -6.034 5.278 -14.873 809 H LEU 21 HN LEU 21 -7.124 2.177 -11.262 810 HA LEU 21 HA LEU 21 -4.462 1.180 -11.574 811 HB2 LEU 21 HB2 LEU 21 -6.209 1.866 -9.288 812 HB3 LEU 21 HB1 LEU 21 -4.842 0.812 -9.003 813 HG LEU 21 HG LEU 21 -4.525 3.189 -8.532 814 HD11 LEU 21 HD11 LEU 21 -2.225 3.253 -9.575 815 HD12 LEU 21 HD12 LEU 21 -2.716 1.945 -10.648 816 HD13 LEU 21 HD13 LEU 21 -2.607 1.665 -8.913 817 HD21 LEU 21 HD21 LEU 21 -5.650 4.229 -10.375 818 HD22 LEU 21 HD22 LEU 21 -4.614 3.367 -11.504 819 HD23 LEU 21 HD23 LEU 21 -3.929 4.663 -10.503 820 H MET 22 HN MET 22 -7.504 -0.067 -10.718 821 HA MET 22 HA MET 22 -6.892 -2.758 -10.084 822 HB2 MET 22 HB2 MET 22 -9.103 -1.949 -11.970 823 HB3 MET 22 HB1 MET 22 -8.957 -3.474 -11.128 824 HG2 MET 22 HG2 MET 22 -9.377 -2.376 -9.027 825 HG3 MET 22 HG1 MET 22 -9.414 -0.806 -9.835 826 HE1 MET 22 HE1 MET 22 -10.785 -4.242 -11.163 827 HE2 MET 22 HE2 MET 22 -12.465 -4.154 -10.681 828 HE3 MET 22 HE3 MET 22 -11.203 -4.307 -9.449 829 H GLN 23 HN GLN 23 -7.391 -1.326 -13.205 830 HA GLN 23 HA GLN 23 -6.738 -3.583 -14.763 831 HB2 GLN 23 HB2 GLN 23 -6.597 -0.669 -15.468 832 HB3 GLN 23 HB1 GLN 23 -6.638 -2.031 -16.586 833 HG2 GLN 23 HG2 GLN 23 -8.827 -2.635 -15.772 834 HG3 GLN 23 HG1 GLN 23 -8.806 -1.299 -14.637 835 HE21 GLN 23 HE21 GLN 23 -10.707 -1.778 -16.752 836 HE22 GLN 23 HE22 GLN 23 -10.654 -0.415 -17.794 837 H ALA 24 HN ALA 24 -4.891 -1.071 -13.281 838 HA ALA 24 HA ALA 24 -2.536 -1.501 -14.889 839 HB1 ALA 24 HB1 ALA 24 -1.426 0.065 -13.400 840 HB2 ALA 24 HB2 ALA 24 -2.773 -0.026 -12.268 841 HB3 ALA 24 HB3 ALA 24 -3.011 0.693 -13.862 842 H LEU 25 HN LEU 25 -3.764 -2.688 -11.869 843 HA LEU 25 HA LEU 25 -1.246 -3.978 -11.186 844 HB2 LEU 25 HB2 LEU 25 -3.900 -3.991 -9.809 845 HB3 LEU 25 HB1 LEU 25 -2.386 -4.578 -9.146 846 HG LEU 25 HG LEU 25 -2.999 -1.714 -9.857 847 HD11 LEU 25 HD11 LEU 25 -2.965 -1.350 -7.487 848 HD12 LEU 25 HD12 LEU 25 -2.738 -3.086 -7.226 849 HD13 LEU 25 HD13 LEU 25 -4.231 -2.484 -7.962 850 HD21 LEU 25 HD21 LEU 25 -0.908 -1.213 -8.690 851 HD22 LEU 25 HD22 LEU 25 -0.645 -2.181 -10.140 852 HD23 LEU 25 HD23 LEU 25 -0.578 -2.939 -8.548 853 H ASN 26 HN ASN 26 -4.240 -4.558 -12.626 854 HA ASN 26 HA ASN 26 -5.241 -6.195 -13.693 855 HB2 ASN 26 HB2 ASN 26 -2.957 -6.802 -14.608 856 HB3 ASN 26 HB1 ASN 26 -2.811 -7.946 -13.283 857 HD21 ASN 26 HD21 ASN 26 -3.943 -9.861 -13.365 858 HD22 ASN 26 HD22 ASN 26 -4.816 -10.399 -14.755 859 H LEU 27 HN LEU 27 -6.316 -5.865 -11.512 860 HA LEU 27 HA LEU 27 -6.852 -8.501 -10.574 861 HB2 LEU 27 HB2 LEU 27 -7.144 -7.574 -8.371 862 HB3 LEU 27 HB1 LEU 27 -5.459 -7.515 -8.887 863 HG LEU 27 HG LEU 27 -6.343 -5.019 -9.506 864 HD11 LEU 27 HD11 LEU 27 -7.632 -4.188 -7.639 865 HD12 LEU 27 HD12 LEU 27 -7.717 -5.828 -6.990 866 HD13 LEU 27 HD13 LEU 27 -8.540 -5.449 -8.509 867 HD21 LEU 27 HD21 LEU 27 -4.314 -5.540 -8.341 868 HD22 LEU 27 HD22 LEU 27 -5.218 -5.961 -6.877 869 HD23 LEU 27 HD23 LEU 27 -5.210 -4.296 -7.478 870 H ASN 28 HN ASN 28 -9.063 -8.557 -9.661 871 HA ASN 28 HA ASN 28 -10.809 -6.645 -11.087 872 HB2 ASN 28 HB2 ASN 28 -11.166 -9.648 -10.879 873 HB3 ASN 28 HB1 ASN 28 -12.327 -8.541 -11.589 874 HD21 ASN 28 HD21 ASN 28 -10.311 -6.923 -12.982 875 HD22 ASN 28 HD22 ASN 28 -9.715 -7.903 -14.251 876 H ILE 29 HN ILE 29 -13.245 -7.309 -10.298 877 HA ILE 29 HA ILE 29 -13.343 -6.750 -7.500 878 HB ILE 29 HB ILE 29 -15.508 -7.447 -9.505 879 HG12 ILE 29 HG12 ILE 29 -14.710 -5.186 -9.825 880 HG13 ILE 29 HG11 ILE 29 -16.292 -5.125 -9.095 881 HG21 ILE 29 HG21 ILE 29 -17.236 -6.970 -7.863 882 HG22 ILE 29 HG22 ILE 29 -15.995 -6.762 -6.616 883 HG23 ILE 29 HG23 ILE 29 -16.231 -8.332 -7.370 884 HD11 ILE 29 HD11 ILE 29 -14.863 -3.480 -8.102 885 HD12 ILE 29 HD12 ILE 29 -13.677 -4.702 -7.672 886 HD13 ILE 29 HD13 ILE 29 -15.269 -4.709 -6.903 887 H ASP 30 HN ASP 30 -13.719 -8.053 -5.845 888 HA ASP 30 HA ASP 30 -14.049 -9.797 -4.556 889 HB2 ASP 30 HB2 ASP 30 -16.000 -10.324 -6.115 890 HB3 ASP 30 HB1 ASP 30 -14.927 -11.421 -6.971 891 H ASP 31 HN ASP 31 -11.587 -9.181 -6.042 892 HA ASP 31 HA ASP 31 -10.439 -11.832 -6.096 893 HB2 ASP 31 HB2 ASP 31 -10.060 -10.056 -7.994 894 HB3 ASP 31 HB1 ASP 31 -8.932 -9.352 -6.847 895 H GLU 32 HN GLU 32 -8.731 -12.283 -4.846 896 HA GLU 32 HA GLU 32 -8.841 -11.061 -2.270 897 HB2 GLU 32 HB2 GLU 32 -8.996 -13.426 -2.460 898 HB3 GLU 32 HB1 GLU 32 -7.536 -13.520 -3.419 899 HG2 GLU 32 HG2 GLU 32 -6.237 -12.834 -1.481 900 HG3 GLU 32 HG1 GLU 32 -7.722 -12.696 -0.536 901 H VAL 33 HN VAL 33 -7.234 -9.911 -1.333 902 HA VAL 33 HA VAL 33 -4.789 -9.609 -2.822 903 HB VAL 33 HB VAL 33 -4.674 -7.218 -2.615 904 HG11 VAL 33 HG11 VAL 33 -7.481 -7.872 -3.302 905 HG12 VAL 33 HG12 VAL 33 -6.112 -7.968 -4.435 906 HG13 VAL 33 HG13 VAL 33 -6.640 -6.400 -3.771 907 HG21 VAL 33 HG21 VAL 33 -7.175 -7.321 -0.964 908 HG22 VAL 33 HG22 VAL 33 -6.339 -5.853 -1.493 909 HG23 VAL 33 HG23 VAL 33 -5.534 -6.969 -0.381 910 H LYS 34 HN LYS 34 -2.932 -8.843 -1.463 911 HA LYS 34 HA LYS 34 -3.265 -9.876 1.236 912 HB2 LYS 34 HB2 LYS 34 -1.583 -10.837 -0.461 913 HB3 LYS 34 HB1 LYS 34 -0.715 -9.332 -0.263 914 HG2 LYS 34 HG2 LYS 34 -0.134 -9.844 1.947 915 HG3 LYS 34 HG1 LYS 34 -1.393 -11.096 2.026 916 HD2 LYS 34 HD2 LYS 34 0.895 -12.050 1.805 917 HD3 LYS 34 HD1 LYS 34 -0.202 -12.516 0.509 918 HE2 LYS 34 HE2 LYS 34 1.938 -12.006 -0.450 919 HE3 LYS 34 HE1 LYS 34 0.821 -10.726 -0.899 920 HZ1 LYS 34 HZ1 LYS 34 1.774 -9.408 0.986 921 HZ2 LYS 34 HZ2 LYS 34 2.852 -9.741 -0.246 922 HZ3 LYS 34 HZ3 LYS 34 2.888 -10.642 1.208 923 H ILE 35 HN ILE 35 -3.218 -8.523 2.881 924 HA ILE 35 HA ILE 35 -2.579 -5.701 2.442 925 HB ILE 35 HB ILE 35 -3.942 -6.982 4.822 926 HG12 ILE 35 HG12 ILE 35 -5.281 -7.483 2.849 927 HG13 ILE 35 HG11 ILE 35 -6.115 -6.360 3.913 928 HG21 ILE 35 HG21 ILE 35 -3.063 -4.779 5.230 929 HG22 ILE 35 HG22 ILE 35 -4.833 -4.751 5.216 930 HG23 ILE 35 HG23 ILE 35 -3.934 -4.155 3.822 931 HD11 ILE 35 HD11 ILE 35 -4.695 -5.684 1.347 932 HD12 ILE 35 HD12 ILE 35 -5.512 -4.528 2.403 933 HD13 ILE 35 HD13 ILE 35 -6.442 -5.791 1.586 934 H ASP 36 HN ASP 36 -0.468 -5.416 2.958 935 HA ASP 36 HA ASP 36 0.505 -6.776 5.368 936 HB2 ASP 36 HB2 ASP 36 2.029 -6.016 2.857 937 HB3 ASP 36 HB1 ASP 36 2.846 -6.469 4.349 938 H LEU 37 HN LEU 37 1.646 -5.507 6.964 939 HA LEU 37 HA LEU 37 1.325 -2.727 6.577 940 HB2 LEU 37 HB2 LEU 37 0.366 -4.134 8.529 941 HB3 LEU 37 HB1 LEU 37 2.046 -4.290 9.003 942 HG LEU 37 HG LEU 37 0.873 -2.612 10.308 943 HD11 LEU 37 HD11 LEU 37 3.185 -2.417 10.112 944 HD12 LEU 37 HD12 LEU 37 2.487 -0.776 10.039 945 HD13 LEU 37 HD13 LEU 37 3.020 -1.622 8.561 946 HD21 LEU 37 HD21 LEU 37 0.676 -1.027 7.783 947 HD22 LEU 37 HD22 LEU 37 0.014 -0.619 9.382 948 HD23 LEU 37 HD23 LEU 37 -0.612 -2.003 8.457 949 H VAL 38 HN VAL 38 3.038 -1.634 6.356 950 HA VAL 38 HA VAL 38 5.729 -2.548 7.065 951 HB VAL 38 HB VAL 38 5.105 -1.618 4.263 952 HG11 VAL 38 HG11 VAL 38 7.664 -2.646 5.464 953 HG12 VAL 38 HG12 VAL 38 7.329 -1.016 4.875 954 HG13 VAL 38 HG13 VAL 38 7.434 -2.361 3.742 955 HG21 VAL 38 HG21 VAL 38 5.658 -3.900 3.436 956 HG22 VAL 38 HG22 VAL 38 4.222 -3.878 4.461 957 HG23 VAL 38 HG23 VAL 38 5.757 -4.449 5.111 958 H ASP 39 HN ASP 39 6.856 -0.817 7.795 959 HA ASP 39 HA ASP 39 7.559 1.273 8.277 960 HB2 ASP 39 HB2 ASP 39 7.903 1.378 5.785 961 HB3 ASP 39 HB1 ASP 39 6.296 2.090 5.644 962 H GLY 40 HN GLY 40 4.839 0.370 8.962 963 HA2 GLY 40 HA2 GLY 40 3.182 1.239 10.313 964 HA3 GLY 40 HA1 GLY 40 3.962 2.805 10.174 965 H LYS 41 HN LYS 41 3.067 1.089 7.240 966 HA LYS 41 HA LYS 41 0.560 2.514 7.133 967 HB2 LYS 41 HB2 LYS 41 1.048 3.324 4.845 968 HB3 LYS 41 HB1 LYS 41 2.072 4.085 6.065 969 HG2 LYS 41 HG2 LYS 41 3.624 2.009 5.186 970 HG3 LYS 41 HG1 LYS 41 2.703 2.411 3.753 971 HD2 LYS 41 HD2 LYS 41 3.306 4.771 3.964 972 HD3 LYS 41 HD1 LYS 41 4.259 4.397 5.395 973 HE2 LYS 41 HE2 LYS 41 5.665 2.895 3.967 974 HE3 LYS 41 HE1 LYS 41 4.772 3.483 2.572 975 HZ1 LYS 41 HZ1 LYS 41 6.483 5.041 4.393 976 HZ2 LYS 41 HZ2 LYS 41 5.430 5.754 3.275 977 HZ3 LYS 41 HZ3 LYS 41 6.703 4.806 2.720 978 H LEU 42 HN LEU 42 -0.717 1.800 5.173 979 HA LEU 42 HA LEU 42 -0.557 -1.079 5.199 980 HB2 LEU 42 HB2 LEU 42 -2.703 0.823 4.340 981 HB3 LEU 42 HB1 LEU 42 -2.772 -0.885 3.939 982 HG LEU 42 HG LEU 42 -2.506 0.161 6.705 983 HD11 LEU 42 HD11 LEU 42 -5.004 -0.705 5.201 984 HD12 LEU 42 HD12 LEU 42 -4.637 0.942 5.722 985 HD13 LEU 42 HD13 LEU 42 -4.957 -0.309 6.919 986 HD21 LEU 42 HD21 LEU 42 -3.279 -2.531 5.616 987 HD22 LEU 42 HD22 LEU 42 -3.358 -2.084 7.316 988 HD23 LEU 42 HD23 LEU 42 -1.800 -2.128 6.492 989 H ILE 43 HN ILE 43 -0.012 -2.234 3.679 990 HA ILE 43 HA ILE 43 0.670 -0.978 1.125 991 HB ILE 43 HB ILE 43 1.834 -3.339 2.537 992 HG12 ILE 43 HG12 ILE 43 2.494 -1.442 3.716 993 HG13 ILE 43 HG11 ILE 43 3.881 -1.989 2.757 994 HG21 ILE 43 HG21 ILE 43 2.793 -2.029 0.009 995 HG22 ILE 43 HG22 ILE 43 1.985 -3.598 0.156 996 HG23 ILE 43 HG23 ILE 43 3.587 -3.361 0.874 997 HD11 ILE 43 HD11 ILE 43 3.841 0.399 2.724 998 HD12 ILE 43 HD12 ILE 43 2.138 0.428 2.354 999 HD13 ILE 43 HD13 ILE 43 3.288 -0.143 1.135 1000 H ILE 44 HN ILE 44 -0.266 -1.846 -0.602 1001 HA ILE 44 HA ILE 44 -2.047 -4.163 -0.169 1002 HB ILE 44 HB ILE 44 -2.437 -1.898 -2.137 1003 HG12 ILE 44 HG12 ILE 44 -2.744 -1.050 0.136 1004 HG13 ILE 44 HG11 ILE 44 -4.286 -1.112 -0.707 1005 HG21 ILE 44 HG21 ILE 44 -4.298 -4.147 -1.365 1006 HG22 ILE 44 HG22 ILE 44 -3.447 -3.967 -2.899 1007 HG23 ILE 44 HG23 ILE 44 -4.700 -2.812 -2.448 1008 HD11 ILE 44 HD11 ILE 44 -3.296 -3.062 1.366 1009 HD12 ILE 44 HD12 ILE 44 -4.836 -3.169 0.513 1010 HD13 ILE 44 HD13 ILE 44 -4.520 -1.813 1.596 1011 H GLU 45 HN GLU 45 -1.021 -5.810 -1.033 1012 HA GLU 45 HA GLU 45 0.196 -5.499 -3.683 1013 HB2 GLU 45 HB2 GLU 45 1.819 -5.898 -1.835 1014 HB3 GLU 45 HB1 GLU 45 0.920 -7.318 -1.348 1015 HG2 GLU 45 HG2 GLU 45 1.638 -8.479 -3.324 1016 HG3 GLU 45 HG1 GLU 45 2.403 -7.008 -3.951 1017 HA PRO 46 HA PRO 46 -3.160 -8.209 -4.429 1018 HB2 PRO 46 HB2 PRO 46 -2.177 -8.908 -7.065 1019 HB3 PRO 46 HB1 PRO 46 -3.548 -7.888 -6.617 1020 HG2 PRO 46 HG2 PRO 46 -1.334 -7.057 -7.724 1021 HG3 PRO 46 HG1 PRO 46 -2.339 -5.999 -6.673 1022 HD2 PRO 46 HD2 PRO 46 0.170 -7.570 -6.061 1023 HD3 PRO 46 HD1 PRO 46 -0.138 -5.934 -5.488 1024 H VAL 47 HN VAL 47 -3.532 -10.448 -5.291 1025 HA VAL 47 HA VAL 47 -1.325 -12.102 -4.278 1026 HB VAL 47 HB VAL 47 -4.215 -13.008 -4.427 1027 HG11 VAL 47 HG11 VAL 47 -2.538 -14.803 -4.521 1028 HG12 VAL 47 HG12 VAL 47 -3.471 -14.816 -3.002 1029 HG13 VAL 47 HG13 VAL 47 -1.840 -14.134 -3.028 1030 HG21 VAL 47 HG21 VAL 47 -4.120 -11.347 -2.753 1031 HG22 VAL 47 HG22 VAL 47 -2.616 -12.053 -2.108 1032 HG23 VAL 47 HG23 VAL 47 -4.127 -12.917 -1.933 1033 H ARG 48 HN ARG 48 -0.270 -12.945 -5.759 1034 HA ARG 48 HA ARG 48 -1.182 -13.337 -8.447 1035 HB2 ARG 48 HB2 ARG 48 1.107 -14.592 -6.986 1036 HB3 ARG 48 HB1 ARG 48 0.843 -14.604 -8.712 1037 HG2 ARG 48 HG2 ARG 48 1.290 -12.262 -8.844 1038 HG3 ARG 48 HG1 ARG 48 1.391 -12.154 -7.074 1039 HD2 ARG 48 HD2 ARG 48 3.069 -13.938 -8.775 1040 HD3 ARG 48 HD1 ARG 48 3.616 -12.352 -8.194 1041 HE ARG 48 HE ARG 48 3.663 -13.194 -5.996 1042 HH11 ARG 48 HH11 ARG 48 2.903 -15.787 -8.319 1043 HH12 ARG 48 HH12 ARG 48 3.134 -17.060 -7.232 1044 HH21 ARG 48 HH21 ARG 48 4.074 -14.954 -4.491 1045 HH22 ARG 48 HH22 ARG 48 3.874 -16.562 -4.989 1046 H LYS 49 HN LYS 49 -1.980 -15.287 -9.249 1047 HA LYS 49 HA LYS 49 -2.571 -17.215 -7.142 1048 HB2 LYS 49 HB2 LYS 49 -3.655 -17.220 -9.962 1049 HB3 LYS 49 HB1 LYS 49 -4.280 -18.030 -8.543 1050 HG2 LYS 49 HG2 LYS 49 -4.381 -15.061 -9.097 1051 HG3 LYS 49 HG1 LYS 49 -5.735 -16.179 -9.162 1052 HD2 LYS 49 HD2 LYS 49 -5.473 -16.560 -6.699 1053 HD3 LYS 49 HD1 LYS 49 -4.177 -15.357 -6.692 1054 HE2 LYS 49 HE2 LYS 49 -7.053 -14.866 -7.429 1055 HE3 LYS 49 HE1 LYS 49 -6.258 -14.384 -5.935 1056 HZ1 LYS 49 HZ1 LYS 49 -4.766 -12.960 -7.298 1057 HZ2 LYS 49 HZ2 LYS 49 -6.376 -12.503 -7.405 1058 HZ3 LYS 49 HZ3 LYS 49 -5.678 -13.365 -8.659 1059 H GLU 50 HN GLU 50 -0.736 -18.157 -6.874 1060 HA GLU 50 HA GLU 50 0.016 -20.439 -7.833 1061 HB2 GLU 50 HB2 GLU 50 0.489 -19.194 -10.088 1062 HB3 GLU 50 HB1 GLU 50 1.788 -18.382 -9.229 1063 HG2 GLU 50 HG2 GLU 50 2.829 -20.571 -8.786 1064 HG3 GLU 50 HG1 GLU 50 1.540 -21.341 -9.706 Start of MODEL 19 1 H1 ASN -16 HT1 ASN -16 -20.257 -6.755 12.883 2 H2 ASN -16 HT2 ASN -16 -20.585 -7.338 14.433 3 H3 ASN -16 HT3 ASN -16 -21.447 -7.915 13.112 4 HA ASN -16 HA ASN -16 -19.800 -9.502 13.854 5 HB2 ASN -16 HB2 ASN -16 -19.205 -8.248 11.149 6 HB3 ASN -16 HB1 ASN -16 -18.730 -9.862 11.654 7 HD21 ASN -16 HD21 ASN -16 -19.819 -10.781 9.926 8 HD22 ASN -16 HD22 ASN -16 -21.538 -10.885 9.870 9 H HIS -15 HN HIS -15 -18.065 -9.394 15.164 10 HA HIS -15 HA HIS -15 -16.192 -7.228 14.813 11 HB2 HIS -15 HB2 HIS -15 -16.319 -9.473 16.841 12 HB3 HIS -15 HB1 HIS -15 -14.974 -8.337 16.767 13 HD1 HIS -15 HD1 HIS -15 -18.549 -8.585 17.868 14 HD2 HIS -15 HD2 HIS -15 -15.581 -5.706 17.514 15 HE1 HIS -15 HE1 HIS -15 -19.341 -6.597 19.192 16 H LYS -14 HN LYS -14 -16.326 -10.660 14.308 17 HA LYS -14 HA LYS -14 -14.028 -10.297 12.561 18 HB2 LYS -14 HB2 LYS -14 -13.722 -12.788 12.597 19 HB3 LYS -14 HB1 LYS -14 -13.474 -12.057 14.166 20 HG2 LYS -14 HG2 LYS -14 -15.603 -12.891 14.942 21 HG3 LYS -14 HG1 LYS -14 -15.999 -13.481 13.323 22 HD2 LYS -14 HD2 LYS -14 -14.114 -15.031 13.407 23 HD3 LYS -14 HD1 LYS -14 -13.652 -14.408 14.987 24 HE2 LYS -14 HE2 LYS -14 -16.287 -15.759 14.405 25 HE3 LYS -14 HE1 LYS -14 -14.872 -16.591 15.040 26 HZ1 LYS -14 HZ1 LYS -14 -14.973 -15.150 16.993 27 HZ2 LYS -14 HZ2 LYS -14 -16.398 -16.001 16.769 28 HZ3 LYS -14 HZ3 LYS -14 -16.356 -14.385 16.383 29 H VAL -13 HN VAL -13 -14.346 -10.661 10.450 30 HA VAL -13 HA VAL -13 -17.085 -10.482 9.615 31 HB VAL -13 HB VAL -13 -14.636 -10.801 7.848 32 HG11 VAL -13 HG11 VAL -13 -16.019 -9.760 6.105 33 HG12 VAL -13 HG12 VAL -13 -17.388 -9.734 7.216 34 HG13 VAL -13 HG13 VAL -13 -16.721 -11.276 6.679 35 HG21 VAL -13 HG21 VAL -13 -14.691 -8.351 7.620 36 HG22 VAL -13 HG22 VAL -13 -14.400 -8.847 9.291 37 HG23 VAL -13 HG23 VAL -13 -15.996 -8.280 8.805 38 H HIS -12 HN HIS -12 -14.583 -12.910 9.420 39 HA HIS -12 HA HIS -12 -16.492 -14.760 8.235 40 HB2 HIS -12 HB2 HIS -12 -13.516 -15.063 8.727 41 HB3 HIS -12 HB1 HIS -12 -14.537 -16.272 7.952 42 HD1 HIS -12 HD1 HIS -12 -12.013 -14.246 6.852 43 HD2 HIS -12 HD2 HIS -12 -16.028 -14.468 5.758 44 HE1 HIS -12 HE1 HIS -12 -12.171 -13.260 4.551 45 H HIS -11 HN HIS -11 -17.787 -15.363 9.846 46 HA HIS -11 HA HIS -11 -16.934 -15.754 12.522 47 HB2 HIS -11 HB2 HIS -11 -19.497 -16.515 11.123 48 HB3 HIS -11 HB1 HIS -11 -19.210 -16.850 12.819 49 HD1 HIS -11 HD1 HIS -11 -20.253 -15.126 14.286 50 HD2 HIS -11 HD2 HIS -11 -19.047 -13.556 10.639 51 HE1 HIS -11 HE1 HIS -11 -20.971 -12.726 14.287 52 H HIS -10 HN HIS -10 -17.437 -17.870 9.816 53 HA HIS -10 HA HIS -10 -17.125 -20.291 11.311 54 HB2 HIS -10 HB2 HIS -10 -17.005 -21.414 9.079 55 HB3 HIS -10 HB1 HIS -10 -18.417 -20.390 9.268 56 HD1 HIS -10 HD1 HIS -10 -18.793 -18.686 7.412 57 HD2 HIS -10 HD2 HIS -10 -14.925 -20.210 7.420 58 HE1 HIS -10 HE1 HIS -10 -17.684 -17.767 5.375 59 H HIS -9 HN HIS -9 -14.958 -17.996 10.519 60 HA HIS -9 HA HIS -9 -12.724 -19.860 10.229 61 HB2 HIS -9 HB2 HIS -9 -12.901 -18.228 8.400 62 HB3 HIS -9 HB1 HIS -9 -12.983 -16.920 9.561 63 HD1 HIS -9 HD1 HIS -9 -10.532 -19.140 7.777 64 HD2 HIS -9 HD2 HIS -9 -10.538 -16.124 10.634 65 HE1 HIS -9 HE1 HIS -9 -8.152 -18.343 7.958 66 H HIS -8 HN HIS -8 -12.283 -20.380 12.314 67 HA HIS -8 HA HIS -8 -12.251 -18.369 14.347 68 HB2 HIS -8 HB2 HIS -8 -11.310 -21.242 14.386 69 HB3 HIS -8 HB1 HIS -8 -11.247 -20.179 15.787 70 HD1 HIS -8 HD1 HIS -8 -13.361 -22.588 14.184 71 HD2 HIS -8 HD2 HIS -8 -13.943 -19.195 16.482 72 HE1 HIS -8 HE1 HIS -8 -15.710 -22.768 15.107 73 H HIS -7 HN HIS -7 -10.951 -16.895 13.607 74 HA HIS -7 HA HIS -7 -8.386 -17.264 12.647 75 HB2 HIS -7 HB2 HIS -7 -8.057 -14.809 13.015 76 HB3 HIS -7 HB1 HIS -7 -9.484 -15.213 12.096 77 HD1 HIS -7 HD1 HIS -7 -9.224 -12.467 13.420 78 HD2 HIS -7 HD2 HIS -7 -11.087 -15.705 15.228 79 HE1 HIS -7 HE1 HIS -7 -10.840 -11.500 15.098 80 H MET -6 HN MET -6 -6.416 -17.142 13.438 81 HA MET -6 HA MET -6 -6.023 -17.137 16.331 82 HB2 MET -6 HB2 MET -6 -6.226 -19.486 15.591 83 HB3 MET -6 HB1 MET -6 -5.028 -19.200 14.341 84 HG2 MET -6 HG2 MET -6 -3.350 -18.767 16.092 85 HG3 MET -6 HG1 MET -6 -4.562 -19.147 17.317 86 HE1 MET -6 HE1 MET -6 -2.955 -21.005 18.373 87 HE2 MET -6 HE2 MET -6 -1.726 -20.632 17.162 88 HE3 MET -6 HE3 MET -6 -2.221 -22.303 17.431 89 H SER -5 HN SER -5 -4.191 -15.979 16.809 90 HA SER -5 HA SER -5 -2.373 -14.660 16.566 91 HB2 SER -5 HB2 SER -5 -1.901 -16.302 14.070 92 HB3 SER -5 HB1 SER -5 -0.706 -15.256 14.831 93 HG SER -5 HG SER -5 -0.236 -17.125 15.678 94 H ASP -4 HN ASP -4 -4.907 -13.934 15.502 95 HA ASP -4 HA ASP -4 -4.813 -12.751 12.938 96 HB2 ASP -4 HB2 ASP -4 -6.910 -13.358 14.029 97 HB3 ASP -4 HB1 ASP -4 -6.601 -12.200 15.308 98 H ASP -3 HN ASP -3 -4.100 -11.639 16.060 99 HA ASP -3 HA ASP -3 -3.654 -8.865 15.265 100 HB2 ASP -3 HB2 ASP -3 -3.227 -10.293 17.883 101 HB3 ASP -3 HB1 ASP -3 -2.670 -8.648 17.626 102 H ASP -2 HN ASP -2 -1.853 -11.695 15.372 103 HA ASP -2 HA ASP -2 0.718 -10.351 15.647 104 HB2 ASP -2 HB2 ASP -2 0.407 -12.467 16.833 105 HB3 ASP -2 HB1 ASP -2 0.058 -13.282 15.317 106 H ASP -1 HN ASP -1 -1.135 -12.170 13.269 107 HA ASP -1 HA ASP -1 0.853 -11.963 11.240 108 HB2 ASP -1 HB2 ASP -1 -0.819 -13.760 11.180 109 HB3 ASP -1 HB1 ASP -1 -2.104 -12.572 11.024 110 H LYS 0 HN LYS 0 1.293 -10.318 9.994 111 HA LYS 0 HA LYS 0 -0.396 -7.945 10.266 112 HB2 LYS 0 HB2 LYS 0 1.552 -6.652 9.647 113 HB3 LYS 0 HB1 LYS 0 1.966 -7.752 10.956 114 HG2 LYS 0 HG2 LYS 0 2.986 -9.277 9.301 115 HG3 LYS 0 HG1 LYS 0 2.627 -8.104 8.039 116 HD2 LYS 0 HD2 LYS 0 4.007 -6.450 9.256 117 HD3 LYS 0 HD1 LYS 0 4.431 -7.708 10.421 118 HE2 LYS 0 HE2 LYS 0 6.191 -7.513 8.796 119 HE3 LYS 0 HE1 LYS 0 5.363 -9.049 8.556 120 HZ1 LYS 0 HZ1 LYS 0 5.794 -7.953 6.450 121 HZ2 LYS 0 HZ2 LYS 0 4.956 -6.577 6.959 122 HZ3 LYS 0 HZ3 LYS 0 4.126 -7.996 6.688 123 H GLY 1 HN GLY 1 -0.176 -10.398 8.161 124 HA2 GLY 1 HA2 GLY 1 -0.493 -8.669 5.792 125 HA3 GLY 1 HA1 GLY 1 0.014 -10.354 5.729 126 H ILE 2 HN ILE 2 -2.601 -8.209 6.307 127 HA ILE 2 HA ILE 2 -4.511 -10.295 6.818 128 HB ILE 2 HB ILE 2 -4.955 -7.342 6.288 129 HG12 ILE 2 HG12 ILE 2 -4.729 -8.832 8.910 130 HG13 ILE 2 HG11 ILE 2 -3.445 -7.856 8.213 131 HG21 ILE 2 HG21 ILE 2 -6.752 -9.424 7.559 132 HG22 ILE 2 HG22 ILE 2 -6.990 -8.682 5.978 133 HG23 ILE 2 HG23 ILE 2 -7.105 -7.700 7.440 134 HD11 ILE 2 HD11 ILE 2 -4.871 -5.880 8.423 135 HD12 ILE 2 HD12 ILE 2 -4.610 -6.676 9.976 136 HD13 ILE 2 HD13 ILE 2 -6.139 -6.885 9.124 137 H HIS 3 HN HIS 3 -5.388 -11.488 5.280 138 HA HIS 3 HA HIS 3 -5.333 -10.633 2.510 139 HB2 HIS 3 HB2 HIS 3 -6.014 -13.252 3.832 140 HB3 HIS 3 HB1 HIS 3 -6.365 -12.969 2.133 141 HD1 HIS 3 HD1 HIS 3 -4.634 -14.215 0.800 142 HD2 HIS 3 HD2 HIS 3 -2.985 -12.388 4.169 143 HE1 HIS 3 HE1 HIS 3 -2.177 -14.696 0.728 144 H SER 4 HN SER 4 -6.857 -9.399 1.818 145 HA SER 4 HA SER 4 -9.609 -9.563 2.878 146 HB2 SER 4 HB2 SER 4 -9.765 -7.241 2.080 147 HB3 SER 4 HB1 SER 4 -8.317 -7.451 3.060 148 HG SER 4 HG SER 4 -7.097 -7.113 1.448 149 H SER 5 HN SER 5 -10.604 -8.047 0.646 150 HA SER 5 HA SER 5 -10.001 -9.296 -1.838 151 HB2 SER 5 HB2 SER 5 -12.741 -9.763 -0.628 152 HB3 SER 5 HB1 SER 5 -12.269 -10.155 -2.276 153 HG SER 5 HG SER 5 -10.522 -11.237 -0.568 154 H VAL 6 HN VAL 6 -10.341 -7.805 -3.329 155 HA VAL 6 HA VAL 6 -11.477 -5.272 -2.639 156 HB VAL 6 HB VAL 6 -10.802 -6.362 -5.395 157 HG11 VAL 6 HG11 VAL 6 -10.700 -4.005 -6.069 158 HG12 VAL 6 HG12 VAL 6 -11.207 -3.514 -4.451 159 HG13 VAL 6 HG13 VAL 6 -12.307 -4.428 -5.480 160 HG21 VAL 6 HG21 VAL 6 -9.234 -4.697 -3.489 161 HG22 VAL 6 HG22 VAL 6 -8.717 -5.109 -5.138 162 HG23 VAL 6 HG23 VAL 6 -8.906 -6.377 -3.909 163 H LYS 7 HN LYS 7 -13.605 -5.041 -2.388 164 HA LYS 7 HA LYS 7 -15.315 -6.729 -4.034 165 HB2 LYS 7 HB2 LYS 7 -15.764 -5.409 -1.368 166 HB3 LYS 7 HB1 LYS 7 -17.034 -6.170 -2.370 167 HG2 LYS 7 HG2 LYS 7 -14.637 -7.657 -1.374 168 HG3 LYS 7 HG1 LYS 7 -16.144 -7.533 -0.458 169 HD2 LYS 7 HD2 LYS 7 -17.312 -8.349 -2.530 170 HD3 LYS 7 HD1 LYS 7 -15.724 -8.734 -3.177 171 HE2 LYS 7 HE2 LYS 7 -15.285 -10.278 -1.387 172 HE3 LYS 7 HE1 LYS 7 -16.770 -9.808 -0.562 173 HZ1 LYS 7 HZ1 LYS 7 -17.030 -11.899 -1.768 174 HZ2 LYS 7 HZ2 LYS 7 -16.608 -11.155 -3.208 175 HZ3 LYS 7 HZ3 LYS 7 -18.036 -10.711 -2.421 176 H ARG 8 HN ARG 8 -17.449 -5.588 -4.529 177 HA ARG 8 HA ARG 8 -16.710 -2.976 -5.580 178 HB2 ARG 8 HB2 ARG 8 -17.385 -4.677 -7.206 179 HB3 ARG 8 HB1 ARG 8 -18.954 -4.756 -6.406 180 HG2 ARG 8 HG2 ARG 8 -19.461 -2.519 -7.000 181 HG3 ARG 8 HG1 ARG 8 -17.823 -2.292 -7.634 182 HD2 ARG 8 HD2 ARG 8 -19.508 -4.458 -8.571 183 HD3 ARG 8 HD1 ARG 8 -19.776 -2.847 -9.288 184 HE ARG 8 HE ARG 8 -17.160 -3.163 -9.570 185 HH11 ARG 8 HH11 ARG 8 -19.732 -5.495 -10.292 186 HH12 ARG 8 HH12 ARG 8 -18.922 -6.194 -11.616 187 HH21 ARG 8 HH21 ARG 8 -16.044 -4.146 -11.415 188 HH22 ARG 8 HH22 ARG 8 -16.794 -5.431 -12.245 189 H TRP 9 HN TRP 9 -17.447 -1.297 -4.577 190 HA TRP 9 HA TRP 9 -19.884 -1.408 -2.951 191 HB2 TRP 9 HB2 TRP 9 -17.718 -0.751 -1.856 192 HB3 TRP 9 HB1 TRP 9 -17.562 0.532 -3.011 193 HD1 TRP 9 HD1 TRP 9 -21.037 0.257 -1.701 194 HE1 TRP 9 HE1 TRP 9 -21.445 2.034 0.050 195 HE3 TRP 9 HE3 TRP 9 -16.189 2.070 -0.972 196 HZ2 TRP 9 HZ2 TRP 9 -20.111 3.949 1.431 197 HZ3 TRP 9 HZ3 TRP 9 -15.943 3.855 0.544 198 HH2 TRP 9 HH2 TRP 9 -17.918 4.793 1.773 199 H GLY 10 HN GLY 10 -21.424 -1.038 -4.569 200 HA2 GLY 10 HA2 GLY 10 -22.691 0.281 -5.949 201 HA3 GLY 10 HA1 GLY 10 -21.548 1.605 -5.681 202 H ASN 11 HN ASN 11 -20.648 2.192 -7.549 203 HA ASN 11 HA ASN 11 -19.820 0.015 -9.354 204 HB2 ASN 11 HB2 ASN 11 -19.653 1.688 -11.158 205 HB3 ASN 11 HB1 ASN 11 -21.252 1.703 -10.441 206 HD21 ASN 11 HD21 ASN 11 -21.889 3.491 -9.262 207 HD22 ASN 11 HD22 ASN 11 -21.055 5.002 -9.334 208 H SER 12 HN SER 12 -18.301 0.745 -6.860 209 HA SER 12 HA SER 12 -15.889 1.720 -8.070 210 HB2 SER 12 HB2 SER 12 -16.931 3.578 -6.802 211 HB3 SER 12 HB1 SER 12 -17.138 2.511 -5.430 212 HG SER 12 HG SER 12 -14.668 2.340 -5.744 213 HA PRO 13 HA PRO 13 -14.572 -2.047 -5.952 214 HB2 PRO 13 HB2 PRO 13 -11.864 -1.163 -6.418 215 HB3 PRO 13 HB1 PRO 13 -12.705 -2.512 -7.164 216 HG2 PRO 13 HG2 PRO 13 -11.991 -0.112 -8.414 217 HG3 PRO 13 HG1 PRO 13 -13.093 -1.341 -9.049 218 HD2 PRO 13 HD2 PRO 13 -13.747 1.319 -7.936 219 HD3 PRO 13 HD1 PRO 13 -14.713 0.197 -8.896 220 H ALA 14 HN ALA 14 -14.186 -2.221 -3.787 221 HA ALA 14 HA ALA 14 -12.833 -0.015 -2.460 222 HB1 ALA 14 HB1 ALA 14 -14.458 -0.073 -0.700 223 HB2 ALA 14 HB2 ALA 14 -15.349 -1.359 -1.513 224 HB3 ALA 14 HB3 ALA 14 -15.254 0.246 -2.240 225 H VAL 15 HN VAL 15 -11.537 -0.593 -0.839 226 HA VAL 15 HA VAL 15 -11.250 -3.452 -0.244 227 HB VAL 15 HB VAL 15 -9.180 -1.227 -0.011 228 HG11 VAL 15 HG11 VAL 15 -8.886 -4.180 0.585 229 HG12 VAL 15 HG12 VAL 15 -8.877 -2.880 1.776 230 HG13 VAL 15 HG13 VAL 15 -7.579 -2.995 0.589 231 HG21 VAL 15 HG21 VAL 15 -9.321 -3.618 -1.821 232 HG22 VAL 15 HG22 VAL 15 -7.994 -2.455 -1.764 233 HG23 VAL 15 HG23 VAL 15 -9.598 -1.948 -2.308 234 H ARG 16 HN ARG 16 -11.619 -4.078 1.830 235 HA ARG 16 HA ARG 16 -12.613 -2.157 3.698 236 HB2 ARG 16 HB2 ARG 16 -12.221 -5.104 3.719 237 HB3 ARG 16 HB1 ARG 16 -12.776 -4.238 5.159 238 HG2 ARG 16 HG2 ARG 16 -14.685 -3.494 3.858 239 HG3 ARG 16 HG1 ARG 16 -14.132 -4.418 2.474 240 HD2 ARG 16 HD2 ARG 16 -14.173 -6.457 3.809 241 HD3 ARG 16 HD1 ARG 16 -14.758 -5.536 5.190 242 HE ARG 16 HE ARG 16 -16.644 -4.976 3.505 243 HH11 ARG 16 HH11 ARG 16 -15.057 -8.141 3.915 244 HH12 ARG 16 HH12 ARG 16 -16.464 -9.027 3.528 245 HH21 ARG 16 HH21 ARG 16 -18.513 -6.201 2.964 246 HH22 ARG 16 HH22 ARG 16 -18.475 -7.918 2.977 247 H ILE 17 HN ILE 17 -11.534 -1.234 5.272 248 HA ILE 17 HA ILE 17 -8.822 -2.159 5.889 249 HB ILE 17 HB ILE 17 -10.190 0.447 6.656 250 HG12 ILE 17 HG12 ILE 17 -9.808 0.372 4.267 251 HG13 ILE 17 HG11 ILE 17 -8.735 1.548 5.007 252 HG21 ILE 17 HG21 ILE 17 -8.474 -0.171 8.259 253 HG22 ILE 17 HG22 ILE 17 -7.956 1.231 7.323 254 HG23 ILE 17 HG23 ILE 17 -7.300 -0.365 6.957 255 HD11 ILE 17 HD11 ILE 17 -7.992 -1.224 4.069 256 HD12 ILE 17 HD12 ILE 17 -6.888 -0.060 4.815 257 HD13 ILE 17 HD13 ILE 17 -7.638 0.300 3.257 258 HA PRO 18 HA PRO 18 -10.652 -3.887 9.622 259 HB2 PRO 18 HB2 PRO 18 -7.893 -3.808 10.686 260 HB3 PRO 18 HB1 PRO 18 -8.973 -5.181 10.476 261 HG2 PRO 18 HG2 PRO 18 -6.840 -4.804 8.882 262 HG3 PRO 18 HG1 PRO 18 -8.344 -5.547 8.311 263 HD2 PRO 18 HD2 PRO 18 -7.296 -2.790 7.862 264 HD3 PRO 18 HD1 PRO 18 -8.211 -3.858 6.774 265 H ALA 19 HN ALA 19 -11.369 -2.958 11.443 266 HA ALA 19 HA ALA 19 -10.985 -0.197 11.885 267 HB1 ALA 19 HB1 ALA 19 -12.217 -2.250 13.725 268 HB2 ALA 19 HB2 ALA 19 -13.067 -1.362 12.462 269 HB3 ALA 19 HB3 ALA 19 -12.405 -0.501 13.850 270 H THR 20 HN THR 20 -9.491 -3.061 13.169 271 HA THR 20 HA THR 20 -8.165 -2.106 15.379 272 HB THR 20 HB THR 20 -7.092 -4.041 13.320 273 HG1 THR 20 HG1 THR 20 -8.843 -4.649 15.476 274 HG21 THR 20 HG21 THR 20 -6.885 -3.985 16.339 275 HG22 THR 20 HG22 THR 20 -5.612 -3.468 15.235 276 HG23 THR 20 HG23 THR 20 -6.127 -5.160 15.261 277 H LEU 21 HN LEU 21 -7.294 -1.970 11.913 278 HA LEU 21 HA LEU 21 -4.742 -0.761 12.366 279 HB2 LEU 21 HB2 LEU 21 -6.334 -1.515 9.990 280 HB3 LEU 21 HB1 LEU 21 -5.087 -0.303 9.786 281 HG LEU 21 HG LEU 21 -4.492 -2.608 9.244 282 HD11 LEU 21 HD11 LEU 21 -2.916 -1.263 11.482 283 HD12 LEU 21 HD12 LEU 21 -2.772 -0.892 9.768 284 HD13 LEU 21 HD13 LEU 21 -2.236 -2.460 10.379 285 HD21 LEU 21 HD21 LEU 21 -5.583 -3.825 10.994 286 HD22 LEU 21 HD22 LEU 21 -4.683 -2.912 12.200 287 HD23 LEU 21 HD23 LEU 21 -3.832 -4.095 11.184 288 H MET 22 HN MET 22 -7.822 0.270 11.389 289 HA MET 22 HA MET 22 -7.434 2.999 10.887 290 HB2 MET 22 HB2 MET 22 -9.671 1.699 12.442 291 HB3 MET 22 HB1 MET 22 -9.724 3.345 11.849 292 HG2 MET 22 HG2 MET 22 -9.382 0.975 10.045 293 HG3 MET 22 HG1 MET 22 -10.964 1.600 10.517 294 HE1 MET 22 HE1 MET 22 -10.950 5.158 9.007 295 HE2 MET 22 HE2 MET 22 -10.406 4.706 10.622 296 HE3 MET 22 HE3 MET 22 -11.845 3.949 9.938 297 H GLN 23 HN GLN 23 -8.109 1.525 13.933 298 HA GLN 23 HA GLN 23 -7.598 3.791 15.537 299 HB2 GLN 23 HB2 GLN 23 -7.530 0.876 16.213 300 HB3 GLN 23 HB1 GLN 23 -7.526 2.196 17.379 301 HG2 GLN 23 HG2 GLN 23 -9.624 2.937 16.591 302 HG3 GLN 23 HG1 GLN 23 -9.664 1.702 15.347 303 HE21 GLN 23 HE21 GLN 23 -9.922 -0.423 15.912 304 HE22 GLN 23 HE22 GLN 23 -10.576 -0.927 17.433 305 H ALA 24 HN ALA 24 -5.580 1.295 14.246 306 HA ALA 24 HA ALA 24 -3.420 1.671 16.118 307 HB1 ALA 24 HB1 ALA 24 -2.074 0.266 14.649 308 HB2 ALA 24 HB2 ALA 24 -3.271 0.433 13.370 309 HB3 ALA 24 HB3 ALA 24 -3.682 -0.440 14.849 310 H LEU 25 HN LEU 25 -4.211 2.906 13.012 311 HA LEU 25 HA LEU 25 -1.777 4.478 12.867 312 HB2 LEU 25 HB2 LEU 25 -4.059 4.077 10.982 313 HB3 LEU 25 HB1 LEU 25 -2.650 5.072 10.638 314 HG LEU 25 HG LEU 25 -2.469 2.133 11.288 315 HD11 LEU 25 HD11 LEU 25 -2.593 3.521 8.652 316 HD12 LEU 25 HD12 LEU 25 -3.780 2.396 9.323 317 HD13 LEU 25 HD13 LEU 25 -2.161 1.823 8.887 318 HD21 LEU 25 HD21 LEU 25 -0.535 4.080 10.038 319 HD22 LEU 25 HD22 LEU 25 -0.257 2.353 10.238 320 HD23 LEU 25 HD23 LEU 25 -0.407 3.390 11.657 321 H ASN 26 HN ASN 26 -4.757 4.709 14.195 322 HA ASN 26 HA ASN 26 -6.057 6.273 15.103 323 HB2 ASN 26 HB2 ASN 26 -3.519 7.901 14.942 324 HB3 ASN 26 HB1 ASN 26 -4.978 8.478 15.744 325 HD21 ASN 26 HD21 ASN 26 -2.330 6.271 15.873 326 HD22 ASN 26 HD22 ASN 26 -2.602 5.709 17.485 327 H LEU 27 HN LEU 27 -6.166 5.996 12.264 328 HA LEU 27 HA LEU 27 -6.894 8.676 11.499 329 HB2 LEU 27 HB2 LEU 27 -6.877 7.894 9.260 330 HB3 LEU 27 HB1 LEU 27 -5.343 7.500 10.002 331 HG LEU 27 HG LEU 27 -6.738 5.145 10.269 332 HD11 LEU 27 HD11 LEU 27 -7.567 6.386 7.673 333 HD12 LEU 27 HD12 LEU 27 -8.637 6.037 9.037 334 HD13 LEU 27 HD13 LEU 27 -7.847 4.718 8.163 335 HD21 LEU 27 HD21 LEU 27 -4.462 5.422 9.395 336 HD22 LEU 27 HD22 LEU 27 -5.130 5.996 7.863 337 HD23 LEU 27 HD23 LEU 27 -5.439 4.345 8.404 338 H ASN 28 HN ASN 28 -8.953 8.889 10.387 339 HA ASN 28 HA ASN 28 -10.916 6.950 11.379 340 HB2 ASN 28 HB2 ASN 28 -11.113 9.963 11.615 341 HB3 ASN 28 HB1 ASN 28 -12.471 8.871 11.846 342 HD21 ASN 28 HD21 ASN 28 -9.567 10.146 13.201 343 HD22 ASN 28 HD22 ASN 28 -9.736 9.442 14.759 344 H ILE 29 HN ILE 29 -13.179 7.776 10.401 345 HA ILE 29 HA ILE 29 -12.935 7.329 7.617 346 HB ILE 29 HB ILE 29 -15.330 8.199 9.295 347 HG12 ILE 29 HG12 ILE 29 -14.500 5.976 9.936 348 HG13 ILE 29 HG11 ILE 29 -16.052 5.849 9.133 349 HG21 ILE 29 HG21 ILE 29 -15.745 8.814 6.975 350 HG22 ILE 29 HG22 ILE 29 -16.761 7.446 7.454 351 HG23 ILE 29 HG23 ILE 29 -15.330 7.173 6.469 352 HD11 ILE 29 HD11 ILE 29 -14.909 5.168 7.075 353 HD12 ILE 29 HD12 ILE 29 -14.567 4.090 8.425 354 HD13 ILE 29 HD13 ILE 29 -13.358 5.267 7.915 355 H ASP 30 HN ASP 30 -13.209 8.717 5.949 356 HA ASP 30 HA ASP 30 -13.149 10.562 4.713 357 HB2 ASP 30 HB2 ASP 30 -14.078 11.909 7.213 358 HB3 ASP 30 HB1 ASP 30 -13.522 12.881 5.859 359 H ASP 31 HN ASP 31 -10.944 9.482 6.384 360 HA ASP 31 HA ASP 31 -9.169 11.740 6.408 361 HB2 ASP 31 HB2 ASP 31 -9.020 9.808 8.064 362 HB3 ASP 31 HB1 ASP 31 -8.406 8.840 6.728 363 H GLU 32 HN GLU 32 -8.114 12.327 4.725 364 HA GLU 32 HA GLU 32 -8.336 10.999 2.236 365 HB2 GLU 32 HB2 GLU 32 -8.394 13.378 2.339 366 HB3 GLU 32 HB1 GLU 32 -6.882 13.474 3.207 367 HG2 GLU 32 HG2 GLU 32 -5.723 12.640 1.234 368 HG3 GLU 32 HG1 GLU 32 -7.263 12.510 0.383 369 H VAL 33 HN VAL 33 -6.905 9.615 1.311 370 HA VAL 33 HA VAL 33 -4.291 9.452 2.583 371 HB VAL 33 HB VAL 33 -4.216 7.160 2.834 372 HG11 VAL 33 HG11 VAL 33 -5.836 8.037 4.322 373 HG12 VAL 33 HG12 VAL 33 -6.208 6.346 3.855 374 HG13 VAL 33 HG13 VAL 33 -7.085 7.696 3.100 375 HG21 VAL 33 HG21 VAL 33 -6.480 6.808 0.877 376 HG22 VAL 33 HG22 VAL 33 -5.647 5.496 1.717 377 HG23 VAL 33 HG23 VAL 33 -4.775 6.498 0.553 378 H LYS 34 HN LYS 34 -2.688 8.625 1.416 379 HA LYS 34 HA LYS 34 -2.927 9.217 -1.455 380 HB2 LYS 34 HB2 LYS 34 -0.474 8.515 0.158 381 HB3 LYS 34 HB1 LYS 34 -0.483 8.911 -1.543 382 HG2 LYS 34 HG2 LYS 34 -1.266 11.183 -0.967 383 HG3 LYS 34 HG1 LYS 34 -1.133 10.750 0.745 384 HD2 LYS 34 HD2 LYS 34 1.229 10.204 0.421 385 HD3 LYS 34 HD1 LYS 34 1.112 10.673 -1.272 386 HE2 LYS 34 HE2 LYS 34 0.534 12.966 -0.556 387 HE3 LYS 34 HE1 LYS 34 0.740 12.467 1.125 388 HZ1 LYS 34 HZ1 LYS 34 3.085 11.897 0.569 389 HZ2 LYS 34 HZ2 LYS 34 2.752 13.522 0.340 390 HZ3 LYS 34 HZ3 LYS 34 2.849 12.517 -0.978 391 H ILE 35 HN ILE 35 -3.430 7.577 -2.776 392 HA ILE 35 HA ILE 35 -2.287 4.935 -2.217 393 HB ILE 35 HB ILE 35 -4.083 5.731 -4.571 394 HG12 ILE 35 HG12 ILE 35 -5.778 4.136 -3.493 395 HG13 ILE 35 HG11 ILE 35 -4.815 4.260 -2.031 396 HG21 ILE 35 HG21 ILE 35 -4.260 3.310 -5.003 397 HG22 ILE 35 HG22 ILE 35 -3.107 3.024 -3.702 398 HG23 ILE 35 HG23 ILE 35 -2.612 3.925 -5.133 399 HD11 ILE 35 HD11 ILE 35 -5.230 6.658 -1.979 400 HD12 ILE 35 HD12 ILE 35 -6.730 5.740 -1.959 401 HD13 ILE 35 HD13 ILE 35 -6.185 6.515 -3.448 402 H ASP 36 HN ASP 36 -0.204 5.199 -2.651 403 HA ASP 36 HA ASP 36 0.474 6.569 -5.157 404 HB2 ASP 36 HB2 ASP 36 1.242 7.782 -3.209 405 HB3 ASP 36 HB1 ASP 36 2.093 6.426 -2.574 406 H LEU 37 HN LEU 37 1.773 5.535 -6.659 407 HA LEU 37 HA LEU 37 2.071 2.790 -6.194 408 HB2 LEU 37 HB2 LEU 37 0.915 3.906 -8.183 409 HB3 LEU 37 HB1 LEU 37 2.515 4.485 -8.596 410 HG LEU 37 HG LEU 37 1.683 2.543 -9.927 411 HD11 LEU 37 HD11 LEU 37 3.858 1.326 -9.816 412 HD12 LEU 37 HD12 LEU 37 4.237 2.405 -8.437 413 HD13 LEU 37 HD13 LEU 37 3.936 3.083 -10.021 414 HD21 LEU 37 HD21 LEU 37 1.710 0.359 -8.981 415 HD22 LEU 37 HD22 LEU 37 0.683 1.420 -7.980 416 HD23 LEU 37 HD23 LEU 37 2.311 1.001 -7.450 417 H VAL 38 HN VAL 38 3.920 1.981 -5.973 418 HA VAL 38 HA VAL 38 6.465 3.201 -6.765 419 HB VAL 38 HB VAL 38 6.050 2.334 -3.862 420 HG11 VAL 38 HG11 VAL 38 8.517 3.411 -5.216 421 HG12 VAL 38 HG12 VAL 38 8.261 1.760 -4.654 422 HG13 VAL 38 HG13 VAL 38 8.359 3.080 -3.490 423 HG21 VAL 38 HG21 VAL 38 6.561 4.644 -3.228 424 HG22 VAL 38 HG22 VAL 38 5.108 4.558 -4.228 425 HG23 VAL 38 HG23 VAL 38 6.632 5.094 -4.931 426 H ASP 39 HN ASP 39 7.525 1.526 -7.790 427 HA ASP 39 HA ASP 39 8.460 -0.519 -8.178 428 HB2 ASP 39 HB2 ASP 39 9.226 -0.435 -5.838 429 HB3 ASP 39 HB1 ASP 39 7.671 -1.023 -5.286 430 H GLY 40 HN GLY 40 5.639 0.083 -8.573 431 HA2 GLY 40 HA2 GLY 40 3.788 -0.972 -9.509 432 HA3 GLY 40 HA1 GLY 40 4.717 -2.467 -9.475 433 H LYS 41 HN LYS 41 4.596 -0.964 -6.460 434 HA LYS 41 HA LYS 41 2.654 -2.884 -5.466 435 HB2 LYS 41 HB2 LYS 41 5.037 -2.903 -4.738 436 HB3 LYS 41 HB1 LYS 41 4.843 -1.253 -4.195 437 HG2 LYS 41 HG2 LYS 41 3.065 -2.112 -2.643 438 HG3 LYS 41 HG1 LYS 41 3.618 -3.737 -3.072 439 HD2 LYS 41 HD2 LYS 41 5.318 -1.537 -2.001 440 HD3 LYS 41 HD1 LYS 41 4.715 -2.876 -1.012 441 HE2 LYS 41 HE2 LYS 41 6.668 -2.999 -3.321 442 HE3 LYS 41 HE1 LYS 41 7.043 -3.218 -1.621 443 HZ1 LYS 41 HZ1 LYS 41 5.452 -5.244 -1.773 444 HZ2 LYS 41 HZ2 LYS 41 6.959 -5.326 -2.478 445 HZ3 LYS 41 HZ3 LYS 41 5.631 -5.058 -3.452 446 H LEU 42 HN LEU 42 0.966 -1.947 -4.117 447 HA LEU 42 HA LEU 42 0.703 0.905 -4.498 448 HB2 LEU 42 HB2 LEU 42 -1.251 -1.164 -3.539 449 HB3 LEU 42 HB1 LEU 42 -1.603 0.555 -3.547 450 HG LEU 42 HG LEU 42 -0.829 -0.924 -5.992 451 HD11 LEU 42 HD11 LEU 42 -3.626 -0.478 -4.853 452 HD12 LEU 42 HD12 LEU 42 -2.831 -2.044 -5.034 453 HD13 LEU 42 HD13 LEU 42 -3.308 -1.123 -6.462 454 HD21 LEU 42 HD21 LEU 42 -2.312 1.668 -5.528 455 HD22 LEU 42 HD22 LEU 42 -2.295 0.841 -7.060 456 HD23 LEU 42 HD23 LEU 42 -0.796 1.458 -6.427 457 H ILE 43 HN ILE 43 1.127 2.219 -3.170 458 HA ILE 43 HA ILE 43 1.778 1.390 -0.456 459 HB ILE 43 HB ILE 43 2.447 3.770 -2.094 460 HG12 ILE 43 HG12 ILE 43 3.737 1.882 -2.747 461 HG13 ILE 43 HG11 ILE 43 4.803 3.014 -1.912 462 HG21 ILE 43 HG21 ILE 43 3.972 4.484 -0.216 463 HG22 ILE 43 HG22 ILE 43 3.126 3.296 0.798 464 HG23 ILE 43 HG23 ILE 43 2.243 4.638 0.079 465 HD11 ILE 43 HD11 ILE 43 4.538 1.579 0.123 466 HD12 ILE 43 HD12 ILE 43 5.369 0.826 -1.224 467 HD13 ILE 43 HD13 ILE 43 3.692 0.410 -0.893 468 H ILE 44 HN ILE 44 0.451 1.861 1.015 469 HA ILE 44 HA ILE 44 -1.494 4.021 0.617 470 HB ILE 44 HB ILE 44 -1.813 1.472 2.220 471 HG12 ILE 44 HG12 ILE 44 -2.158 1.144 -0.172 472 HG13 ILE 44 HG11 ILE 44 -3.677 0.993 0.708 473 HG21 ILE 44 HG21 ILE 44 -2.842 3.287 3.448 474 HG22 ILE 44 HG22 ILE 44 -4.089 2.242 2.771 475 HG23 ILE 44 HG23 ILE 44 -3.734 3.796 2.011 476 HD11 ILE 44 HD11 ILE 44 -4.291 3.250 -0.004 477 HD12 ILE 44 HD12 ILE 44 -3.990 2.174 -1.368 478 HD13 ILE 44 HD13 ILE 44 -2.777 3.366 -0.905 479 H GLU 45 HN GLU 45 -1.034 5.671 1.725 480 HA GLU 45 HA GLU 45 -0.178 5.373 4.491 481 HB2 GLU 45 HB2 GLU 45 1.000 7.245 2.420 482 HB3 GLU 45 HB1 GLU 45 1.219 7.456 4.150 483 HG2 GLU 45 HG2 GLU 45 2.332 5.301 4.271 484 HG3 GLU 45 HG1 GLU 45 2.115 5.090 2.535 485 HA PRO 46 HA PRO 46 -3.447 8.206 4.794 486 HB2 PRO 46 HB2 PRO 46 -2.763 9.191 7.364 487 HB3 PRO 46 HB1 PRO 46 -3.872 7.875 6.986 488 HG2 PRO 46 HG2 PRO 46 -1.465 7.706 8.250 489 HG3 PRO 46 HG1 PRO 46 -2.362 6.316 7.554 490 HD2 PRO 46 HD2 PRO 46 -0.060 7.904 6.458 491 HD3 PRO 46 HD1 PRO 46 -0.321 6.188 6.214 492 H VAL 47 HN VAL 47 -3.749 10.554 5.336 493 HA VAL 47 HA VAL 47 -1.257 11.975 4.767 494 HB VAL 47 HB VAL 47 -3.999 13.103 4.117 495 HG11 VAL 47 HG11 VAL 47 -2.750 14.747 2.882 496 HG12 VAL 47 HG12 VAL 47 -1.288 13.808 3.188 497 HG13 VAL 47 HG13 VAL 47 -2.087 14.642 4.550 498 HG21 VAL 47 HG21 VAL 47 -1.999 11.785 2.311 499 HG22 VAL 47 HG22 VAL 47 -3.364 12.745 1.740 500 HG23 VAL 47 HG23 VAL 47 -3.656 11.257 2.658 501 H ARG 48 HN ARG 48 -0.536 12.860 6.415 502 HA ARG 48 HA ARG 48 -2.091 12.875 8.777 503 HB2 ARG 48 HB2 ARG 48 -0.135 13.410 9.977 504 HB3 ARG 48 HB1 ARG 48 0.352 12.298 8.710 505 HG2 ARG 48 HG2 ARG 48 1.206 14.205 7.409 506 HG3 ARG 48 HG1 ARG 48 0.733 15.285 8.720 507 HD2 ARG 48 HD2 ARG 48 2.185 13.914 10.236 508 HD3 ARG 48 HD1 ARG 48 2.783 13.094 8.790 509 HE ARG 48 HE ARG 48 2.952 16.002 9.098 510 HH11 ARG 48 HH11 ARG 48 4.589 12.881 8.473 511 HH12 ARG 48 HH12 ARG 48 6.105 13.592 8.181 512 HH21 ARG 48 HH21 ARG 48 5.097 16.932 8.758 513 HH22 ARG 48 HH22 ARG 48 6.410 15.894 8.399 514 H LYS 49 HN LYS 49 -2.434 14.614 10.169 515 HA LYS 49 HA LYS 49 -2.887 17.051 8.721 516 HB2 LYS 49 HB2 LYS 49 -4.073 15.885 11.230 517 HB3 LYS 49 HB1 LYS 49 -4.186 17.609 10.915 518 HG2 LYS 49 HG2 LYS 49 -6.214 16.348 10.240 519 HG3 LYS 49 HG1 LYS 49 -5.479 17.228 8.912 520 HD2 LYS 49 HD2 LYS 49 -4.408 15.150 8.149 521 HD3 LYS 49 HD1 LYS 49 -5.177 14.271 9.461 522 HE2 LYS 49 HE2 LYS 49 -7.367 14.757 8.520 523 HE3 LYS 49 HE1 LYS 49 -6.640 15.791 7.290 524 HZ1 LYS 49 HZ1 LYS 49 -7.113 13.749 6.291 525 HZ2 LYS 49 HZ2 LYS 49 -6.456 12.827 7.525 526 HZ3 LYS 49 HZ3 LYS 49 -5.440 13.727 6.510 527 H GLU 50 HN GLU 50 -1.164 18.030 8.639 528 HA GLU 50 HA GLU 50 0.552 19.376 9.109 529 HB2 GLU 50 HB2 GLU 50 -0.833 20.396 10.860 530 HB3 GLU 50 HB1 GLU 50 -0.336 19.150 11.989 531 HG2 GLU 50 HG2 GLU 50 1.973 19.962 11.840 532 HG3 GLU 50 HG1 GLU 50 1.432 21.235 10.747 533 H1 ASN -16 HT1 ASN -16 -20.413 7.672 -13.763 534 H2 ASN -16 HT2 ASN -16 -21.249 8.444 -12.507 535 H3 ASN -16 HT3 ASN -16 -20.033 7.326 -12.160 536 HA ASN -16 HA ASN -16 -19.585 9.907 -13.500 537 HB2 ASN -16 HB2 ASN -16 -18.783 8.956 -10.717 538 HB3 ASN -16 HB1 ASN -16 -18.451 10.526 -11.412 539 HD21 ASN -16 HD21 ASN -16 -19.472 11.532 -9.638 540 HD22 ASN -16 HD22 ASN -16 -21.182 11.545 -9.455 541 H HIS -15 HN HIS -15 -17.665 9.856 -14.666 542 HA HIS -15 HA HIS -15 -15.996 7.521 -14.284 543 HB2 HIS -15 HB2 HIS -15 -15.960 9.686 -16.405 544 HB3 HIS -15 HB1 HIS -15 -14.646 8.526 -16.241 545 HD1 HIS -15 HD1 HIS -15 -17.960 8.905 -17.805 546 HD2 HIS -15 HD2 HIS -15 -15.496 5.800 -16.560 547 HE1 HIS -15 HE1 HIS -15 -18.812 6.842 -18.941 548 H LYS -14 HN LYS -14 -15.908 10.972 -13.898 549 HA LYS -14 HA LYS -14 -13.687 10.526 -12.073 550 HB2 LYS -14 HB2 LYS -14 -13.361 13.011 -12.085 551 HB3 LYS -14 HB1 LYS -14 -13.124 12.314 -13.673 552 HG2 LYS -14 HG2 LYS -14 -15.279 13.144 -14.398 553 HG3 LYS -14 HG1 LYS -14 -15.630 13.743 -12.772 554 HD2 LYS -14 HD2 LYS -14 -13.785 15.305 -12.924 555 HD3 LYS -14 HD1 LYS -14 -13.309 14.647 -14.484 556 HE2 LYS -14 HE2 LYS -14 -15.931 16.053 -13.902 557 HE3 LYS -14 HE1 LYS -14 -14.535 16.775 -14.695 558 HZ1 LYS -14 HZ1 LYS -14 -14.789 15.140 -16.477 559 HZ2 LYS -14 HZ2 LYS -14 -16.168 16.075 -16.286 560 HZ3 LYS -14 HZ3 LYS -14 -16.163 14.508 -15.724 561 H VAL -13 HN VAL -13 -14.085 10.975 -9.908 562 HA VAL -13 HA VAL -13 -16.887 10.812 -9.283 563 HB VAL -13 HB VAL -13 -14.570 11.048 -7.332 564 HG11 VAL -13 HG11 VAL -13 -16.112 9.978 -5.745 565 HG12 VAL -13 HG12 VAL -13 -17.387 10.042 -6.958 566 HG13 VAL -13 HG13 VAL -13 -16.704 11.536 -6.316 567 HG21 VAL -13 HG21 VAL -13 -14.654 8.594 -7.166 568 HG22 VAL -13 HG22 VAL -13 -14.238 9.121 -8.797 569 HG23 VAL -13 HG23 VAL -13 -15.870 8.556 -8.443 570 H HIS -12 HN HIS -12 -14.294 13.110 -8.897 571 HA HIS -12 HA HIS -12 -16.149 15.077 -7.840 572 HB2 HIS -12 HB2 HIS -12 -13.181 15.273 -8.384 573 HB3 HIS -12 HB1 HIS -12 -14.158 16.518 -7.616 574 HD1 HIS -12 HD1 HIS -12 -11.655 14.567 -6.523 575 HD2 HIS -12 HD2 HIS -12 -15.653 14.691 -5.393 576 HE1 HIS -12 HE1 HIS -12 -11.754 13.662 -4.179 577 H HIS -11 HN HIS -11 -17.394 15.837 -9.384 578 HA HIS -11 HA HIS -11 -16.466 16.169 -12.062 579 HB2 HIS -11 HB2 HIS -11 -19.100 16.753 -10.744 580 HB3 HIS -11 HB1 HIS -11 -18.765 17.260 -12.393 581 HD1 HIS -11 HD1 HIS -11 -19.343 15.577 -14.152 582 HD2 HIS -11 HD2 HIS -11 -18.823 13.839 -10.419 583 HE1 HIS -11 HE1 HIS -11 -19.961 13.155 -14.420 584 H HIS -10 HN HIS -10 -16.955 18.200 -9.305 585 HA HIS -10 HA HIS -10 -16.608 20.630 -10.819 586 HB2 HIS -10 HB2 HIS -10 -16.577 21.802 -8.624 587 HB3 HIS -10 HB1 HIS -10 -17.979 20.764 -8.815 588 HD1 HIS -10 HD1 HIS -10 -18.473 19.336 -6.805 589 HD2 HIS -10 HD2 HIS -10 -14.484 20.491 -6.957 590 HE1 HIS -10 HE1 HIS -10 -17.433 18.498 -4.702 591 H HIS -9 HN HIS -9 -14.545 18.308 -10.009 592 HA HIS -9 HA HIS -9 -12.271 20.103 -9.630 593 HB2 HIS -9 HB2 HIS -9 -12.521 18.401 -7.880 594 HB3 HIS -9 HB1 HIS -9 -12.600 17.142 -9.097 595 HD1 HIS -9 HD1 HIS -9 -10.210 19.042 -7.020 596 HD2 HIS -9 HD2 HIS -9 -10.115 16.592 -10.359 597 HE1 HIS -9 HE1 HIS -9 -7.812 18.297 -7.272 598 H HIS -8 HN HIS -8 -11.582 20.642 -11.590 599 HA HIS -8 HA HIS -8 -11.657 18.711 -13.700 600 HB2 HIS -8 HB2 HIS -8 -10.694 21.574 -13.645 601 HB3 HIS -8 HB1 HIS -8 -10.548 20.544 -15.067 602 HD1 HIS -8 HD1 HIS -8 -12.868 22.861 -13.482 603 HD2 HIS -8 HD2 HIS -8 -13.131 19.531 -15.949 604 HE1 HIS -8 HE1 HIS -8 -15.164 22.919 -14.492 605 H HIS -7 HN HIS -7 -10.462 17.167 -13.003 606 HA HIS -7 HA HIS -7 -7.887 17.396 -12.010 607 HB2 HIS -7 HB2 HIS -7 -7.642 14.951 -12.456 608 HB3 HIS -7 HB1 HIS -7 -9.061 15.362 -11.534 609 HD1 HIS -7 HD1 HIS -7 -8.881 12.660 -12.931 610 HD2 HIS -7 HD2 HIS -7 -10.615 16.013 -14.674 611 HE1 HIS -7 HE1 HIS -7 -10.501 11.800 -14.664 612 H MET -6 HN MET -6 -5.979 17.374 -12.764 613 HA MET -6 HA MET -6 -5.494 17.318 -15.645 614 HB2 MET -6 HB2 MET -6 -5.695 19.661 -14.935 615 HB3 MET -6 HB1 MET -6 -4.602 19.367 -13.601 616 HG2 MET -6 HG2 MET -6 -2.776 18.983 -15.195 617 HG3 MET -6 HG1 MET -6 -3.883 19.313 -16.527 618 HE1 MET -6 HE1 MET -6 -2.180 21.224 -17.397 619 HE2 MET -6 HE2 MET -6 -1.111 20.880 -16.040 620 HE3 MET -6 HE3 MET -6 -1.605 22.540 -16.378 621 H SER -5 HN SER -5 -3.651 16.173 -16.070 622 HA SER -5 HA SER -5 -1.851 14.869 -15.798 623 HB2 SER -5 HB2 SER -5 -1.428 16.273 -13.144 624 HB3 SER -5 HB1 SER -5 -0.211 15.431 -14.107 625 HG SER -5 HG SER -5 -0.030 17.063 -15.369 626 H ASP -4 HN ASP -4 -4.473 14.169 -14.805 627 HA ASP -4 HA ASP -4 -4.541 12.857 -12.328 628 HB2 ASP -4 HB2 ASP -4 -6.542 13.494 -13.549 629 HB3 ASP -4 HB1 ASP -4 -6.138 12.374 -14.833 630 H ASP -3 HN ASP -3 -3.593 11.765 -15.408 631 HA ASP -3 HA ASP -3 -3.297 9.012 -14.487 632 HB2 ASP -3 HB2 ASP -3 -2.836 10.211 -17.219 633 HB3 ASP -3 HB1 ASP -3 -2.588 8.519 -16.832 634 H ASP -2 HN ASP -2 -1.406 11.779 -14.753 635 HA ASP -2 HA ASP -2 1.102 10.300 -14.947 636 HB2 ASP -2 HB2 ASP -2 0.959 12.446 -16.153 637 HB3 ASP -2 HB1 ASP -2 0.648 13.278 -14.633 638 H ASP -1 HN ASP -1 -0.722 12.190 -12.652 639 HA ASP -1 HA ASP -1 1.192 11.993 -10.553 640 HB2 ASP -1 HB2 ASP -1 -0.469 13.806 -10.634 641 HB3 ASP -1 HB1 ASP -1 -1.767 12.634 -10.482 642 H LYS 0 HN LYS 0 1.638 10.268 -9.421 643 HA LYS 0 HA LYS 0 -0.109 7.974 -9.716 644 HB2 LYS 0 HB2 LYS 0 1.764 6.621 -8.956 645 HB3 LYS 0 HB1 LYS 0 2.229 7.653 -10.297 646 HG2 LYS 0 HG2 LYS 0 3.310 9.196 -8.716 647 HG3 LYS 0 HG1 LYS 0 2.865 8.125 -7.388 648 HD2 LYS 0 HD2 LYS 0 4.167 6.323 -8.454 649 HD3 LYS 0 HD1 LYS 0 4.656 7.444 -9.721 650 HE2 LYS 0 HE2 LYS 0 6.416 7.299 -8.088 651 HE3 LYS 0 HE1 LYS 0 5.669 8.889 -7.990 652 HZ1 LYS 0 HZ1 LYS 0 6.040 7.997 -5.797 653 HZ2 LYS 0 HZ2 LYS 0 5.144 6.610 -6.150 654 HZ3 LYS 0 HZ3 LYS 0 4.375 8.059 -6.029 655 H GLY 1 HN GLY 1 0.625 10.311 -7.381 656 HA2 GLY 1 HA2 GLY 1 -0.105 8.598 -5.131 657 HA3 GLY 1 HA1 GLY 1 0.465 10.262 -5.042 658 H ILE 2 HN ILE 2 -2.224 8.221 -5.768 659 HA ILE 2 HA ILE 2 -4.053 10.367 -6.308 660 HB ILE 2 HB ILE 2 -4.581 7.419 -5.846 661 HG12 ILE 2 HG12 ILE 2 -4.318 8.995 -8.420 662 HG13 ILE 2 HG11 ILE 2 -3.090 7.928 -7.761 663 HG21 ILE 2 HG21 ILE 2 -6.363 9.553 -7.039 664 HG22 ILE 2 HG22 ILE 2 -6.589 8.782 -5.470 665 HG23 ILE 2 HG23 ILE 2 -6.738 7.832 -6.949 666 HD11 ILE 2 HD11 ILE 2 -4.603 6.031 -8.030 667 HD12 ILE 2 HD12 ILE 2 -4.319 6.864 -9.559 668 HD13 ILE 2 HD13 ILE 2 -5.832 7.113 -8.686 669 H HIS 3 HN HIS 3 -5.084 11.538 -4.836 670 HA HIS 3 HA HIS 3 -5.078 10.659 -2.070 671 HB2 HIS 3 HB2 HIS 3 -5.767 13.299 -3.371 672 HB3 HIS 3 HB1 HIS 3 -6.149 12.981 -1.687 673 HD1 HIS 3 HD1 HIS 3 -4.445 14.204 -0.276 674 HD2 HIS 3 HD2 HIS 3 -2.730 12.492 -3.676 675 HE1 HIS 3 HE1 HIS 3 -1.987 14.673 -0.147 676 H SER 4 HN SER 4 -6.689 9.753 -1.132 677 HA SER 4 HA SER 4 -9.348 9.698 -2.417 678 HB2 SER 4 HB2 SER 4 -9.457 7.393 -1.459 679 HB3 SER 4 HB1 SER 4 -8.080 7.611 -2.545 680 HG SER 4 HG SER 4 -6.753 7.517 -0.959 681 H SER 5 HN SER 5 -10.487 8.265 -0.239 682 HA SER 5 HA SER 5 -9.926 9.536 2.244 683 HB2 SER 5 HB2 SER 5 -12.664 9.874 0.973 684 HB3 SER 5 HB1 SER 5 -12.196 10.381 2.593 685 HG SER 5 HG SER 5 -10.469 11.481 0.924 686 H VAL 6 HN VAL 6 -10.318 8.044 3.769 687 HA VAL 6 HA VAL 6 -11.451 5.502 3.035 688 HB VAL 6 HB VAL 6 -10.778 6.560 5.806 689 HG11 VAL 6 HG11 VAL 6 -10.707 4.192 6.463 690 HG12 VAL 6 HG12 VAL 6 -11.190 3.725 4.835 691 HG13 VAL 6 HG13 VAL 6 -12.302 4.637 5.855 692 HG21 VAL 6 HG21 VAL 6 -9.202 4.904 3.895 693 HG22 VAL 6 HG22 VAL 6 -8.702 5.276 5.557 694 HG23 VAL 6 HG23 VAL 6 -8.857 6.572 4.351 695 H LYS 7 HN LYS 7 -13.570 5.310 2.785 696 HA LYS 7 HA LYS 7 -15.262 7.046 4.406 697 HB2 LYS 7 HB2 LYS 7 -15.735 5.668 1.778 698 HB3 LYS 7 HB1 LYS 7 -16.986 6.512 2.739 699 HG2 LYS 7 HG2 LYS 7 -14.515 7.841 1.700 700 HG3 LYS 7 HG1 LYS 7 -16.017 7.752 0.779 701 HD2 LYS 7 HD2 LYS 7 -17.150 8.758 2.787 702 HD3 LYS 7 HD1 LYS 7 -15.546 9.080 3.437 703 HE2 LYS 7 HE2 LYS 7 -14.971 10.440 1.542 704 HE3 LYS 7 HE1 LYS 7 -16.479 10.032 0.733 705 HZ1 LYS 7 HZ1 LYS 7 -16.576 12.208 1.710 706 HZ2 LYS 7 HZ2 LYS 7 -16.212 11.633 3.235 707 HZ3 LYS 7 HZ3 LYS 7 -17.678 11.213 2.497 708 H ARG 8 HN ARG 8 -17.450 5.923 4.836 709 HA ARG 8 HA ARG 8 -16.737 3.326 5.946 710 HB2 ARG 8 HB2 ARG 8 -17.344 4.990 7.600 711 HB3 ARG 8 HB1 ARG 8 -18.890 5.240 6.802 712 HG2 ARG 8 HG2 ARG 8 -19.604 3.025 7.356 713 HG3 ARG 8 HG1 ARG 8 -17.999 2.647 7.995 714 HD2 ARG 8 HD2 ARG 8 -19.722 4.842 9.080 715 HD3 ARG 8 HD1 ARG 8 -19.776 3.184 9.697 716 HE ARG 8 HE ARG 8 -17.198 3.677 9.887 717 HH11 ARG 8 HH11 ARG 8 -19.839 5.861 10.791 718 HH12 ARG 8 HH12 ARG 8 -19.037 6.487 12.150 719 HH21 ARG 8 HH21 ARG 8 -16.101 4.551 11.747 720 HH22 ARG 8 HH22 ARG 8 -16.853 5.740 12.701 721 H TRP 9 HN TRP 9 -17.465 1.638 4.920 722 HA TRP 9 HA TRP 9 -19.893 1.765 3.293 723 HB2 TRP 9 HB2 TRP 9 -17.732 1.072 2.219 724 HB3 TRP 9 HB1 TRP 9 -17.597 -0.211 3.381 725 HD1 TRP 9 HD1 TRP 9 -21.058 0.100 2.023 726 HE1 TRP 9 HE1 TRP 9 -21.463 -1.681 0.280 727 HE3 TRP 9 HE3 TRP 9 -16.211 -1.781 1.373 728 HZ2 TRP 9 HZ2 TRP 9 -20.123 -3.616 -1.078 729 HZ3 TRP 9 HZ3 TRP 9 -15.965 -3.577 -0.120 730 HH2 TRP 9 HH2 TRP 9 -17.943 -4.492 -1.378 731 H GLY 10 HN GLY 10 -21.468 1.433 4.874 732 HA2 GLY 10 HA2 GLY 10 -22.784 0.182 6.272 733 HA3 GLY 10 HA1 GLY 10 -21.708 -1.189 5.977 734 H ASN 11 HN ASN 11 -20.851 -1.869 7.845 735 HA ASN 11 HA ASN 11 -19.986 0.194 9.756 736 HB2 ASN 11 HB2 ASN 11 -19.843 -1.555 11.437 737 HB3 ASN 11 HB1 ASN 11 -21.402 -1.663 10.637 738 HD21 ASN 11 HD21 ASN 11 -21.836 -3.462 9.338 739 HD22 ASN 11 HD22 ASN 11 -20.835 -4.872 9.375 740 H SER 12 HN SER 12 -18.437 -0.605 7.135 741 HA SER 12 HA SER 12 -16.018 -1.482 8.415 742 HB2 SER 12 HB2 SER 12 -16.949 -3.359 7.156 743 HB3 SER 12 HB1 SER 12 -17.246 -2.311 5.780 744 HG SER 12 HG SER 12 -14.715 -2.059 6.199 745 HA PRO 13 HA PRO 13 -14.635 2.321 6.375 746 HB2 PRO 13 HB2 PRO 13 -11.951 1.397 6.892 747 HB3 PRO 13 HB1 PRO 13 -12.783 2.756 7.626 748 HG2 PRO 13 HG2 PRO 13 -12.138 0.311 8.856 749 HG3 PRO 13 HG1 PRO 13 -13.172 1.586 9.506 750 HD2 PRO 13 HD2 PRO 13 -13.959 -1.037 8.457 751 HD3 PRO 13 HD1 PRO 13 -14.910 0.174 9.321 752 H ALA 14 HN ALA 14 -14.213 2.490 4.209 753 HA ALA 14 HA ALA 14 -12.871 0.254 2.907 754 HB1 ALA 14 HB1 ALA 14 -14.473 0.310 1.133 755 HB2 ALA 14 HB2 ALA 14 -15.350 1.624 1.913 756 HB3 ALA 14 HB3 ALA 14 -15.297 0.029 2.665 757 H VAL 15 HN VAL 15 -11.542 0.792 1.302 758 HA VAL 15 HA VAL 15 -11.199 3.641 0.690 759 HB VAL 15 HB VAL 15 -9.171 1.379 0.456 760 HG11 VAL 15 HG11 VAL 15 -8.826 4.335 -0.100 761 HG12 VAL 15 HG12 VAL 15 -8.834 3.054 -1.310 762 HG13 VAL 15 HG13 VAL 15 -7.539 3.128 -0.113 763 HG21 VAL 15 HG21 VAL 15 -9.285 3.750 2.293 764 HG22 VAL 15 HG22 VAL 15 -7.976 2.567 2.227 765 HG23 VAL 15 HG23 VAL 15 -9.590 2.076 2.754 766 H ARG 16 HN ARG 16 -11.620 4.268 -1.338 767 HA ARG 16 HA ARG 16 -12.581 2.398 -3.264 768 HB2 ARG 16 HB2 ARG 16 -12.181 5.356 -3.238 769 HB3 ARG 16 HB1 ARG 16 -12.706 4.514 -4.693 770 HG2 ARG 16 HG2 ARG 16 -14.644 3.729 -3.477 771 HG3 ARG 16 HG1 ARG 16 -14.168 4.605 -2.044 772 HD2 ARG 16 HD2 ARG 16 -14.162 6.688 -3.323 773 HD3 ARG 16 HD1 ARG 16 -14.692 5.807 -4.743 774 HE ARG 16 HE ARG 16 -16.659 5.224 -3.092 775 HH11 ARG 16 HH11 ARG 16 -15.032 8.367 -3.500 776 HH12 ARG 16 HH12 ARG 16 -16.432 9.275 -3.243 777 HH21 ARG 16 HH21 ARG 16 -18.632 6.556 -2.689 778 HH22 ARG 16 HH22 ARG 16 -18.479 8.246 -2.786 779 H ILE 17 HN ILE 17 -11.442 1.426 -4.775 780 HA ILE 17 HA ILE 17 -8.727 2.348 -5.363 781 HB ILE 17 HB ILE 17 -10.110 -0.235 -6.181 782 HG12 ILE 17 HG12 ILE 17 -9.761 -0.194 -3.784 783 HG13 ILE 17 HG11 ILE 17 -8.685 -1.365 -4.524 784 HG21 ILE 17 HG21 ILE 17 -8.367 0.380 -7.758 785 HG22 ILE 17 HG22 ILE 17 -7.883 -1.039 -6.829 786 HG23 ILE 17 HG23 ILE 17 -7.204 0.543 -6.440 787 HD11 ILE 17 HD11 ILE 17 -7.930 1.389 -3.548 788 HD12 ILE 17 HD12 ILE 17 -6.827 0.216 -4.282 789 HD13 ILE 17 HD13 ILE 17 -7.611 -0.143 -2.737 790 HA PRO 18 HA PRO 18 -10.447 4.161 -9.113 791 HB2 PRO 18 HB2 PRO 18 -7.668 4.010 -10.121 792 HB3 PRO 18 HB1 PRO 18 -8.716 5.410 -9.930 793 HG2 PRO 18 HG2 PRO 18 -6.631 4.976 -8.292 794 HG3 PRO 18 HG1 PRO 18 -8.133 5.749 -7.756 795 HD2 PRO 18 HD2 PRO 18 -7.165 2.962 -7.303 796 HD3 PRO 18 HD1 PRO 18 -8.080 4.046 -6.222 797 H ALA 19 HN ALA 19 -11.184 3.244 -10.934 798 HA ALA 19 HA ALA 19 -10.840 0.491 -11.431 799 HB1 ALA 19 HB1 ALA 19 -12.004 2.613 -13.248 800 HB2 ALA 19 HB2 ALA 19 -12.889 1.721 -12.011 801 HB3 ALA 19 HB3 ALA 19 -12.237 0.868 -13.406 802 H THR 20 HN THR 20 -9.269 3.333 -12.613 803 HA THR 20 HA THR 20 -7.904 2.445 -14.838 804 HB THR 20 HB THR 20 -6.745 4.220 -12.687 805 HG1 THR 20 HG1 THR 20 -8.227 5.438 -14.643 806 HG21 THR 20 HG21 THR 20 -6.629 4.342 -15.713 807 HG22 THR 20 HG22 THR 20 -5.342 3.729 -14.678 808 HG23 THR 20 HG23 THR 20 -5.802 5.429 -14.595 809 H LEU 21 HN LEU 21 -7.094 2.151 -11.365 810 HA LEU 21 HA LEU 21 -4.572 0.893 -11.833 811 HB2 LEU 21 HB2 LEU 21 -6.159 1.621 -9.439 812 HB3 LEU 21 HB1 LEU 21 -4.917 0.399 -9.269 813 HG LEU 21 HG LEU 21 -4.304 2.677 -8.666 814 HD11 LEU 21 HD11 LEU 21 -2.754 1.398 -10.960 815 HD12 LEU 21 HD12 LEU 21 -2.588 0.983 -9.258 816 HD13 LEU 21 HD13 LEU 21 -2.065 2.570 -9.833 817 HD21 LEU 21 HD21 LEU 21 -5.401 3.967 -10.360 818 HD22 LEU 21 HD22 LEU 21 -4.530 3.084 -11.608 819 HD23 LEU 21 HD23 LEU 21 -3.650 4.221 -10.567 820 H MET 22 HN MET 22 -7.678 -0.087 -10.898 821 HA MET 22 HA MET 22 -7.371 -2.839 -10.453 822 HB2 MET 22 HB2 MET 22 -9.544 -1.448 -12.017 823 HB3 MET 22 HB1 MET 22 -9.660 -3.102 -11.451 824 HG2 MET 22 HG2 MET 22 -9.282 -0.749 -9.620 825 HG3 MET 22 HG1 MET 22 -10.869 -1.361 -10.101 826 HE1 MET 22 HE1 MET 22 -10.865 -4.925 -8.596 827 HE2 MET 22 HE2 MET 22 -10.309 -4.465 -10.206 828 HE3 MET 22 HE3 MET 22 -11.755 -3.711 -9.529 829 H GLN 23 HN GLN 23 -7.928 -1.258 -13.463 830 HA GLN 23 HA GLN 23 -7.451 -3.494 -15.134 831 HB2 GLN 23 HB2 GLN 23 -7.298 -0.555 -15.706 832 HB3 GLN 23 HB1 GLN 23 -7.266 -1.833 -16.918 833 HG2 GLN 23 HG2 GLN 23 -9.411 -2.557 -16.258 834 HG3 GLN 23 HG1 GLN 23 -9.482 -1.389 -14.953 835 HE21 GLN 23 HE21 GLN 23 -9.729 0.768 -15.410 836 HE22 GLN 23 HE22 GLN 23 -10.356 1.361 -16.903 837 H ALA 24 HN ALA 24 -5.402 -1.124 -13.713 838 HA ALA 24 HA ALA 24 -3.176 -1.476 -15.511 839 HB1 ALA 24 HB1 ALA 24 -1.872 -0.190 -13.915 840 HB2 ALA 24 HB2 ALA 24 -3.130 -0.388 -12.699 841 HB3 ALA 24 HB3 ALA 24 -3.450 0.567 -14.150 842 H LEU 25 HN LEU 25 -4.106 -2.796 -12.468 843 HA LEU 25 HA LEU 25 -1.705 -4.418 -12.292 844 HB2 LEU 25 HB2 LEU 25 -4.004 -3.964 -10.445 845 HB3 LEU 25 HB1 LEU 25 -2.615 -4.982 -10.081 846 HG LEU 25 HG LEU 25 -2.368 -2.053 -10.747 847 HD11 LEU 25 HD11 LEU 25 -2.560 -3.414 -8.098 848 HD12 LEU 25 HD12 LEU 25 -3.707 -2.265 -8.795 849 HD13 LEU 25 HD13 LEU 25 -2.080 -1.733 -8.342 850 HD21 LEU 25 HD21 LEU 25 -0.488 -4.029 -9.453 851 HD22 LEU 25 HD22 LEU 25 -0.178 -2.307 -9.661 852 HD23 LEU 25 HD23 LEU 25 -0.329 -3.349 -11.075 853 H ASN 26 HN ASN 26 -4.606 -4.579 -13.725 854 HA ASN 26 HA ASN 26 -5.905 -6.113 -14.710 855 HB2 ASN 26 HB2 ASN 26 -3.476 -7.869 -14.310 856 HB3 ASN 26 HB1 ASN 26 -4.889 -8.377 -15.222 857 HD21 ASN 26 HD21 ASN 26 -2.069 -6.389 -15.201 858 HD22 ASN 26 HD22 ASN 26 -2.159 -5.854 -16.829 859 H LEU 27 HN LEU 27 -6.028 -5.846 -11.765 860 HA LEU 27 HA LEU 27 -6.888 -8.493 -11.030 861 HB2 LEU 27 HB2 LEU 27 -6.869 -7.731 -8.794 862 HB3 LEU 27 HB1 LEU 27 -5.332 -7.334 -9.523 863 HG LEU 27 HG LEU 27 -6.704 -4.969 -9.771 864 HD11 LEU 27 HD11 LEU 27 -7.596 -6.230 -7.202 865 HD12 LEU 27 HD12 LEU 27 -8.633 -5.870 -8.584 866 HD13 LEU 27 HD13 LEU 27 -7.858 -4.555 -7.687 867 HD21 LEU 27 HD21 LEU 27 -4.446 -5.275 -8.850 868 HD22 LEU 27 HD22 LEU 27 -5.158 -5.851 -7.338 869 HD23 LEU 27 HD23 LEU 27 -5.443 -4.194 -7.880 870 H ASN 28 HN ASN 28 -8.945 -8.699 -10.026 871 HA ASN 28 HA ASN 28 -10.881 -6.692 -10.959 872 HB2 ASN 28 HB2 ASN 28 -11.045 -9.681 -11.293 873 HB3 ASN 28 HB1 ASN 28 -12.464 -8.651 -11.389 874 HD21 ASN 28 HD21 ASN 28 -9.566 -9.659 -12.928 875 HD22 ASN 28 HD22 ASN 28 -9.850 -8.910 -14.448 876 H ILE 29 HN ILE 29 -13.144 -7.331 -10.020 877 HA ILE 29 HA ILE 29 -12.979 -7.027 -7.233 878 HB ILE 29 HB ILE 29 -15.354 -7.847 -8.955 879 HG12 ILE 29 HG12 ILE 29 -14.473 -5.629 -9.559 880 HG13 ILE 29 HG11 ILE 29 -16.042 -5.487 -8.792 881 HG21 ILE 29 HG21 ILE 29 -15.756 -8.468 -6.632 882 HG22 ILE 29 HG22 ILE 29 -16.790 -7.116 -7.111 883 HG23 ILE 29 HG23 ILE 29 -15.362 -6.822 -6.124 884 HD11 ILE 29 HD11 ILE 29 -14.927 -4.836 -6.703 885 HD12 ILE 29 HD12 ILE 29 -14.548 -3.756 -8.042 886 HD13 ILE 29 HD13 ILE 29 -13.365 -4.950 -7.517 887 H ASP 30 HN ASP 30 -13.241 -8.400 -5.604 888 HA ASP 30 HA ASP 30 -13.186 -10.199 -4.363 889 HB2 ASP 30 HB2 ASP 30 -14.503 -11.394 -6.685 890 HB3 ASP 30 HB1 ASP 30 -13.558 -12.546 -5.745 891 H ASP 31 HN ASP 31 -10.955 -9.231 -6.140 892 HA ASP 31 HA ASP 31 -9.275 -11.552 -6.033 893 HB2 ASP 31 HB2 ASP 31 -9.011 -9.678 -7.748 894 HB3 ASP 31 HB1 ASP 31 -8.350 -8.701 -6.439 895 H GLU 32 HN GLU 32 -8.282 -12.144 -4.328 896 HA GLU 32 HA GLU 32 -8.548 -10.793 -1.872 897 HB2 GLU 32 HB2 GLU 32 -8.623 -13.162 -1.928 898 HB3 GLU 32 HB1 GLU 32 -7.091 -13.303 -2.745 899 HG2 GLU 32 HG2 GLU 32 -5.971 -12.438 -0.767 900 HG3 GLU 32 HG1 GLU 32 -7.534 -12.244 0.033 901 H VAL 33 HN VAL 33 -7.075 -9.493 -0.814 902 HA VAL 33 HA VAL 33 -4.447 -9.302 -2.043 903 HB VAL 33 HB VAL 33 -4.383 -7.014 -2.337 904 HG11 VAL 33 HG11 VAL 33 -6.036 -7.825 -3.881 905 HG12 VAL 33 HG12 VAL 33 -6.412 -6.167 -3.357 906 HG13 VAL 33 HG13 VAL 33 -7.275 -7.535 -2.647 907 HG21 VAL 33 HG21 VAL 33 -6.632 -6.619 -0.361 908 HG22 VAL 33 HG22 VAL 33 -5.795 -5.329 -1.226 909 HG23 VAL 33 HG23 VAL 33 -4.918 -6.330 -0.066 910 H LYS 34 HN LYS 34 -2.794 -8.624 -0.797 911 HA LYS 34 HA LYS 34 -3.152 -9.156 2.035 912 HB2 LYS 34 HB2 LYS 34 -0.688 -8.447 0.456 913 HB3 LYS 34 HB1 LYS 34 -0.714 -8.849 2.158 914 HG2 LYS 34 HG2 LYS 34 -1.450 -11.114 1.593 915 HG3 LYS 34 HG1 LYS 34 -1.390 -10.699 -0.125 916 HD2 LYS 34 HD2 LYS 34 0.982 -10.118 0.109 917 HD3 LYS 34 HD1 LYS 34 0.920 -10.583 1.805 918 HE2 LYS 34 HE2 LYS 34 0.356 -12.859 1.154 919 HE3 LYS 34 HE1 LYS 34 0.405 -12.393 -0.545 920 HZ1 LYS 34 HZ1 LYS 34 2.743 -11.771 -0.230 921 HZ2 LYS 34 HZ2 LYS 34 2.463 -13.399 0.033 922 HZ3 LYS 34 HZ3 LYS 34 2.688 -12.353 1.355 923 H ILE 35 HN ILE 35 -3.625 -7.523 3.370 924 HA ILE 35 HA ILE 35 -2.445 -4.892 2.846 925 HB ILE 35 HB ILE 35 -4.307 -5.704 5.145 926 HG12 ILE 35 HG12 ILE 35 -5.948 -4.056 4.069 927 HG13 ILE 35 HG11 ILE 35 -4.941 -4.140 2.635 928 HG21 ILE 35 HG21 ILE 35 -4.456 -3.309 5.657 929 HG22 ILE 35 HG22 ILE 35 -3.276 -2.985 4.388 930 HG23 ILE 35 HG23 ILE 35 -2.812 -3.938 5.798 931 HD11 ILE 35 HD11 ILE 35 -5.393 -6.523 2.472 932 HD12 ILE 35 HD12 ILE 35 -6.881 -5.581 2.459 933 HD13 ILE 35 HD13 ILE 35 -6.384 -6.429 3.921 934 H ASP 36 HN ASP 36 -0.369 -5.220 3.276 935 HA ASP 36 HA ASP 36 0.292 -6.638 5.763 936 HB2 ASP 36 HB2 ASP 36 1.012 -7.836 3.760 937 HB3 ASP 36 HB1 ASP 36 1.904 -6.489 3.174 938 H LEU 37 HN LEU 37 1.440 -5.568 7.315 939 HA LEU 37 HA LEU 37 1.904 -2.852 6.842 940 HB2 LEU 37 HB2 LEU 37 0.692 -3.943 8.808 941 HB3 LEU 37 HB1 LEU 37 2.273 -4.567 9.237 942 HG LEU 37 HG LEU 37 1.488 -2.622 10.582 943 HD11 LEU 37 HD11 LEU 37 4.013 -2.135 9.089 944 HD12 LEU 37 HD12 LEU 37 3.798 -3.348 10.322 945 HD13 LEU 37 HD13 LEU 37 3.641 -1.628 10.759 946 HD21 LEU 37 HD21 LEU 37 1.549 -0.425 9.653 947 HD22 LEU 37 HD22 LEU 37 0.480 -1.457 8.664 948 HD23 LEU 37 HD23 LEU 37 2.104 -1.068 8.105 949 H VAL 38 HN VAL 38 3.767 -2.102 6.640 950 HA VAL 38 HA VAL 38 6.278 -3.382 7.428 951 HB VAL 38 HB VAL 38 5.856 -2.547 4.514 952 HG11 VAL 38 HG11 VAL 38 8.322 -3.659 5.837 953 HG12 VAL 38 HG12 VAL 38 8.096 -2.009 5.255 954 HG13 VAL 38 HG13 VAL 38 8.135 -3.349 4.111 955 HG21 VAL 38 HG21 VAL 38 6.294 -4.868 3.915 956 HG22 VAL 38 HG22 VAL 38 4.864 -4.735 4.939 957 HG23 VAL 38 HG23 VAL 38 6.390 -5.301 5.622 958 H ASP 39 HN ASP 39 7.524 -1.756 8.304 959 HA ASP 39 HA ASP 39 8.477 0.305 8.686 960 HB2 ASP 39 HB2 ASP 39 9.091 0.215 6.329 961 HB3 ASP 39 HB1 ASP 39 7.495 0.752 5.837 962 H GLY 40 HN GLY 40 5.596 -0.270 9.200 963 HA2 GLY 40 HA2 GLY 40 3.773 0.823 10.164 964 HA3 GLY 40 HA1 GLY 40 4.753 2.283 10.180 965 H LYS 41 HN LYS 41 4.488 0.780 7.130 966 HA LYS 41 HA LYS 41 2.635 2.802 6.157 967 HB2 LYS 41 HB2 LYS 41 5.053 2.764 5.481 968 HB3 LYS 41 HB1 LYS 41 4.804 1.146 4.872 969 HG2 LYS 41 HG2 LYS 41 3.128 2.113 3.294 970 HG3 LYS 41 HG1 LYS 41 3.669 3.710 3.830 971 HD2 LYS 41 HD2 LYS 41 5.413 1.560 2.729 972 HD3 LYS 41 HD1 LYS 41 4.852 2.944 1.767 973 HE2 LYS 41 HE2 LYS 41 6.761 2.907 4.131 974 HE3 LYS 41 HE1 LYS 41 7.144 3.302 2.464 975 HZ1 LYS 41 HZ1 LYS 41 5.548 5.274 2.787 976 HZ2 LYS 41 HZ2 LYS 41 7.029 5.327 3.544 977 HZ3 LYS 41 HZ3 LYS 41 5.676 4.944 4.447 978 H LEU 42 HN LEU 42 0.954 1.910 4.738 979 HA LEU 42 HA LEU 42 0.567 -0.921 5.137 980 HB2 LEU 42 HB2 LEU 42 -1.242 1.242 4.138 981 HB3 LEU 42 HB1 LEU 42 -1.676 -0.460 4.065 982 HG LEU 42 HG LEU 42 -0.913 0.966 6.544 983 HD11 LEU 42 HD11 LEU 42 -3.689 0.357 5.428 984 HD12 LEU 42 HD12 LEU 42 -2.988 1.964 5.597 985 HD13 LEU 42 HD13 LEU 42 -3.394 1.022 7.033 986 HD21 LEU 42 HD21 LEU 42 -2.281 -1.676 6.077 987 HD22 LEU 42 HD22 LEU 42 -2.084 -0.922 7.655 988 HD23 LEU 42 HD23 LEU 42 -0.664 -1.411 6.734 989 H ILE 43 HN ILE 43 1.003 -2.266 3.784 990 HA ILE 43 HA ILE 43 1.715 -1.441 1.075 991 HB ILE 43 HB ILE 43 2.327 -3.844 2.704 992 HG12 ILE 43 HG12 ILE 43 3.591 -1.937 3.409 993 HG13 ILE 43 HG11 ILE 43 4.674 -3.114 2.665 994 HG21 ILE 43 HG21 ILE 43 3.912 -4.506 0.838 995 HG22 ILE 43 HG22 ILE 43 3.027 -3.333 -0.163 996 HG23 ILE 43 HG23 ILE 43 2.189 -4.703 0.552 997 HD11 ILE 43 HD11 ILE 43 3.621 -0.627 1.329 998 HD12 ILE 43 HD12 ILE 43 4.847 -1.735 0.697 999 HD13 ILE 43 HD13 ILE 43 5.180 -0.764 2.120 1000 H ILE 44 HN ILE 44 0.393 -1.888 -0.408 1001 HA ILE 44 HA ILE 44 -1.585 -4.026 -0.048 1002 HB ILE 44 HB ILE 44 -1.837 -1.473 -1.652 1003 HG12 ILE 44 HG12 ILE 44 -2.213 -1.135 0.733 1004 HG13 ILE 44 HG11 ILE 44 -3.714 -0.963 -0.163 1005 HG21 ILE 44 HG21 ILE 44 -2.872 -3.281 -2.892 1006 HG22 ILE 44 HG22 ILE 44 -4.113 -2.204 -2.247 1007 HG23 ILE 44 HG23 ILE 44 -3.804 -3.759 -1.473 1008 HD11 ILE 44 HD11 ILE 44 -4.373 -3.213 0.538 1009 HD12 ILE 44 HD12 ILE 44 -4.078 -2.139 1.903 1010 HD13 ILE 44 HD13 ILE 44 -2.874 -3.348 1.462 1011 H GLU 45 HN GLU 45 -1.151 -5.688 -1.166 1012 HA GLU 45 HA GLU 45 -0.238 -5.383 -3.909 1013 HB2 GLU 45 HB2 GLU 45 0.932 -7.290 -1.858 1014 HB3 GLU 45 HB1 GLU 45 1.206 -7.433 -3.587 1015 HG2 GLU 45 HG2 GLU 45 2.234 -5.221 -3.591 1016 HG3 GLU 45 HG1 GLU 45 2.011 -5.122 -1.847 1017 HA PRO 46 HA PRO 46 -3.510 -8.207 -4.281 1018 HB2 PRO 46 HB2 PRO 46 -2.951 -9.029 -6.896 1019 HB3 PRO 46 HB1 PRO 46 -3.958 -7.662 -6.417 1020 HG2 PRO 46 HG2 PRO 46 -1.533 -7.640 -7.712 1021 HG3 PRO 46 HG1 PRO 46 -2.393 -6.213 -7.040 1022 HD2 PRO 46 HD2 PRO 46 -0.122 -7.828 -5.935 1023 HD3 PRO 46 HD1 PRO 46 -0.389 -6.126 -5.636 1024 H VAL 47 HN VAL 47 -3.866 -10.422 -4.741 1025 HA VAL 47 HA VAL 47 -1.416 -11.978 -4.277 1026 HB VAL 47 HB VAL 47 -4.205 -12.993 -3.649 1027 HG11 VAL 47 HG11 VAL 47 -3.033 -14.659 -2.380 1028 HG12 VAL 47 HG12 VAL 47 -1.527 -13.801 -2.698 1029 HG13 VAL 47 HG13 VAL 47 -2.366 -14.623 -4.044 1030 HG21 VAL 47 HG21 VAL 47 -2.185 -11.721 -1.830 1031 HG22 VAL 47 HG22 VAL 47 -3.580 -12.635 -1.271 1032 HG23 VAL 47 HG23 VAL 47 -3.820 -11.145 -2.205 1033 H ARG 48 HN ARG 48 -0.732 -12.920 -5.935 1034 HA ARG 48 HA ARG 48 -2.340 -12.865 -8.268 1035 HB2 ARG 48 HB2 ARG 48 -0.411 -13.347 -9.520 1036 HB3 ARG 48 HB1 ARG 48 0.094 -12.252 -8.252 1037 HG2 ARG 48 HG2 ARG 48 0.983 -14.191 -6.985 1038 HG3 ARG 48 HG1 ARG 48 0.530 -15.233 -8.328 1039 HD2 ARG 48 HD2 ARG 48 1.967 -13.738 -9.789 1040 HD3 ARG 48 HD1 ARG 48 2.580 -13.032 -8.294 1041 HE ARG 48 HE ARG 48 2.684 -15.922 -8.679 1042 HH11 ARG 48 HH11 ARG 48 4.463 -12.869 -8.247 1043 HH12 ARG 48 HH12 ARG 48 5.998 -13.593 -8.251 1044 HH21 ARG 48 HH21 ARG 48 4.791 -16.898 -8.648 1045 HH22 ARG 48 HH22 ARG 48 6.200 -15.951 -8.516 1046 H LYS 49 HN LYS 49 -2.830 -14.544 -9.591 1047 HA LYS 49 HA LYS 49 -3.181 -17.034 -8.206 1048 HB2 LYS 49 HB2 LYS 49 -4.361 -15.829 -10.697 1049 HB3 LYS 49 HB1 LYS 49 -4.488 -17.554 -10.428 1050 HG2 LYS 49 HG2 LYS 49 -6.514 -16.315 -9.707 1051 HG3 LYS 49 HG1 LYS 49 -5.753 -17.187 -8.379 1052 HD2 LYS 49 HD2 LYS 49 -4.685 -15.111 -7.643 1053 HD3 LYS 49 HD1 LYS 49 -5.446 -14.248 -8.967 1054 HE2 LYS 49 HE2 LYS 49 -7.632 -14.689 -8.024 1055 HE3 LYS 49 HE1 LYS 49 -6.906 -15.690 -6.767 1056 HZ1 LYS 49 HZ1 LYS 49 -7.345 -13.579 -5.857 1057 HZ2 LYS 49 HZ2 LYS 49 -6.611 -12.756 -7.116 1058 HZ3 LYS 49 HZ3 LYS 49 -5.668 -13.669 -6.041 1059 H GLU 50 HN GLU 50 -1.409 -17.958 -8.148 1060 HA GLU 50 HA GLU 50 0.326 -19.278 -8.615 1061 HB2 GLU 50 HB2 GLU 50 -1.080 -20.382 -10.338 1062 HB3 GLU 50 HB1 GLU 50 -0.566 -19.182 -11.513 1063 HG2 GLU 50 HG2 GLU 50 1.724 -19.981 -11.356 1064 HG3 GLU 50 HG1 GLU 50 1.243 -21.150 -10.129 Start of MODEL 20 1 H1 ASN -16 HT1 ASN -16 13.700 -22.558 0.522 2 H2 ASN -16 HT2 ASN -16 14.000 -22.100 2.116 3 H3 ASN -16 HT3 ASN -16 14.210 -23.700 1.631 4 HA ASN -16 HA ASN -16 15.786 -21.444 0.575 5 HB2 ASN -16 HB2 ASN -16 16.506 -23.521 2.664 6 HB3 ASN -16 HB1 ASN -16 17.669 -22.444 1.904 7 HD21 ASN -16 HD21 ASN -16 18.194 -21.668 3.961 8 HD22 ASN -16 HD22 ASN -16 17.180 -20.557 4.805 9 H HIS -15 HN HIS -15 16.294 -24.905 1.282 10 HA HIS -15 HA HIS -15 16.936 -25.274 -1.530 11 HB2 HIS -15 HB2 HIS -15 17.438 -27.018 0.914 12 HB3 HIS -15 HB1 HIS -15 17.712 -27.577 -0.729 13 HD1 HIS -15 HD1 HIS -15 20.141 -27.475 -1.286 14 HD2 HIS -15 HD2 HIS -15 19.003 -24.388 1.253 15 HE1 HIS -15 HE1 HIS -15 22.217 -26.106 -0.862 16 H LYS -14 HN LYS -14 15.015 -25.146 -2.319 17 HA LYS -14 HA LYS -14 13.015 -25.597 -3.079 18 HB2 LYS -14 HB2 LYS -14 11.896 -27.680 -2.881 19 HB3 LYS -14 HB1 LYS -14 13.563 -28.130 -2.592 20 HG2 LYS -14 HG2 LYS -14 13.126 -28.141 -0.171 21 HG3 LYS -14 HG1 LYS -14 11.442 -27.723 -0.476 22 HD2 LYS -14 HD2 LYS -14 11.666 -30.113 -0.084 23 HD3 LYS -14 HD1 LYS -14 11.193 -29.816 -1.759 24 HE2 LYS -14 HE2 LYS -14 12.919 -31.540 -1.606 25 HE3 LYS -14 HE1 LYS -14 13.500 -30.136 -2.479 26 HZ1 LYS -14 HZ1 LYS -14 14.643 -29.407 -0.450 27 HZ2 LYS -14 HZ2 LYS -14 15.157 -30.914 -0.954 28 HZ3 LYS -14 HZ3 LYS -14 14.101 -30.793 0.359 29 H VAL -13 HN VAL -13 10.673 -25.514 -2.282 30 HA VAL -13 HA VAL -13 10.679 -23.533 -0.209 31 HB VAL -13 HB VAL -13 8.307 -24.759 -1.646 32 HG11 VAL -13 HG11 VAL -13 8.538 -22.204 -0.052 33 HG12 VAL -13 HG12 VAL -13 7.671 -23.658 0.432 34 HG13 VAL -13 HG13 VAL -13 7.115 -22.718 -0.955 35 HG21 VAL -13 HG21 VAL -13 8.347 -22.767 -3.070 36 HG22 VAL -13 HG22 VAL -13 9.835 -23.706 -3.229 37 HG23 VAL -13 HG23 VAL -13 9.819 -22.229 -2.264 38 H HIS -12 HN HIS -12 10.958 -24.258 1.762 39 HA HIS -12 HA HIS -12 9.788 -26.744 2.644 40 HB2 HIS -12 HB2 HIS -12 12.099 -25.876 3.305 41 HB3 HIS -12 HB1 HIS -12 11.275 -24.652 4.256 42 HD1 HIS -12 HD1 HIS -12 12.661 -27.991 4.483 43 HD2 HIS -12 HD2 HIS -12 9.662 -25.856 6.397 44 HE1 HIS -12 HE1 HIS -12 12.270 -29.164 6.673 45 H HIS -11 HN HIS -11 7.663 -26.654 3.032 46 HA HIS -11 HA HIS -11 6.435 -24.152 3.793 47 HB2 HIS -11 HB2 HIS -11 5.367 -25.564 2.042 48 HB3 HIS -11 HB1 HIS -11 5.145 -26.838 3.232 49 HD1 HIS -11 HD1 HIS -11 2.946 -26.759 4.528 50 HD2 HIS -11 HD2 HIS -11 3.864 -23.154 2.676 51 HE1 HIS -11 HE1 HIS -11 0.952 -25.270 4.862 52 H HIS -10 HN HIS -10 6.847 -23.758 5.853 53 HA HIS -10 HA HIS -10 6.359 -25.905 7.766 54 HB2 HIS -10 HB2 HIS -10 8.637 -25.054 7.901 55 HB3 HIS -10 HB1 HIS -10 8.061 -23.412 8.075 56 HD1 HIS -10 HD1 HIS -10 8.386 -26.663 10.044 57 HD2 HIS -10 HD2 HIS -10 7.468 -22.648 10.645 58 HE1 HIS -10 HE1 HIS -10 8.407 -26.299 12.519 59 H HIS -9 HN HIS -9 4.183 -25.719 7.829 60 HA HIS -9 HA HIS -9 3.093 -23.265 9.006 61 HB2 HIS -9 HB2 HIS -9 1.996 -24.284 6.932 62 HB3 HIS -9 HB1 HIS -9 1.615 -25.687 7.919 63 HD1 HIS -9 HD1 HIS -9 -0.444 -25.480 9.486 64 HD2 HIS -9 HD2 HIS -9 0.538 -21.963 7.512 65 HE1 HIS -9 HE1 HIS -9 -2.411 -23.955 9.778 66 H HIS -8 HN HIS -8 3.842 -23.573 11.036 67 HA HIS -8 HA HIS -8 3.670 -26.156 12.286 68 HB2 HIS -8 HB2 HIS -8 5.697 -24.875 12.612 69 HB3 HIS -8 HB1 HIS -8 4.780 -23.528 13.251 70 HD1 HIS -8 HD1 HIS -8 5.713 -23.400 15.596 71 HD2 HIS -8 HD2 HIS -8 4.595 -27.257 14.546 72 HE1 HIS -8 HE1 HIS -8 5.939 -24.792 17.691 73 H HIS -7 HN HIS -7 2.857 -23.081 13.813 74 HA HIS -7 HA HIS -7 0.156 -23.807 14.354 75 HB2 HIS -7 HB2 HIS -7 1.413 -25.385 15.890 76 HB3 HIS -7 HB1 HIS -7 2.079 -23.975 16.696 77 HD1 HIS -7 HD1 HIS -7 -0.935 -26.163 16.604 78 HD2 HIS -7 HD2 HIS -7 0.170 -22.485 18.202 79 HE1 HIS -7 HE1 HIS -7 -2.638 -25.628 18.364 80 H MET -6 HN MET -6 3.035 -21.990 15.255 81 HA MET -6 HA MET -6 1.366 -19.652 15.722 82 HB2 MET -6 HB2 MET -6 3.023 -20.204 17.490 83 HB3 MET -6 HB1 MET -6 4.316 -20.129 16.311 84 HG2 MET -6 HG2 MET -6 3.882 -17.735 15.989 85 HG3 MET -6 HG1 MET -6 2.580 -17.810 17.172 86 HE1 MET -6 HE1 MET -6 4.482 -18.515 20.496 87 HE2 MET -6 HE2 MET -6 3.785 -19.721 19.423 88 HE3 MET -6 HE3 MET -6 2.925 -18.214 19.724 89 H SER -5 HN SER -5 1.100 -20.174 13.303 90 HA SER -5 HA SER -5 3.249 -19.434 11.558 91 HB2 SER -5 HB2 SER -5 0.309 -19.847 10.964 92 HB3 SER -5 HB1 SER -5 1.631 -19.880 9.796 93 HG SER -5 HG SER -5 0.695 -21.864 11.331 94 H ASP -4 HN ASP -4 1.367 -17.746 13.532 95 HA ASP -4 HA ASP -4 0.420 -15.510 12.117 96 HB2 ASP -4 HB2 ASP -4 1.244 -15.671 15.022 97 HB3 ASP -4 HB1 ASP -4 0.237 -14.422 14.303 98 H ASP -3 HN ASP -3 3.479 -16.503 12.962 99 HA ASP -3 HA ASP -3 4.826 -14.068 13.487 100 HB2 ASP -3 HB2 ASP -3 5.800 -16.225 14.086 101 HB3 ASP -3 HB1 ASP -3 5.924 -16.658 12.386 102 H ASP -2 HN ASP -2 4.489 -15.965 10.525 103 HA ASP -2 HA ASP -2 5.835 -13.885 8.974 104 HB2 ASP -2 HB2 ASP -2 6.147 -16.387 8.616 105 HB3 ASP -2 HB1 ASP -2 4.523 -16.398 7.937 106 H ASP -1 HN ASP -1 2.779 -14.787 9.957 107 HA ASP -1 HA ASP -1 1.247 -13.763 7.765 108 HB2 ASP -1 HB2 ASP -1 0.405 -15.572 9.277 109 HB3 ASP -1 HB1 ASP -1 0.399 -14.388 10.581 110 H LYS 0 HN LYS 0 1.986 -11.711 7.514 111 HA LYS 0 HA LYS 0 0.906 -9.772 9.447 112 HB2 LYS 0 HB2 LYS 0 2.757 -8.224 8.720 113 HB3 LYS 0 HB1 LYS 0 3.308 -9.625 9.626 114 HG2 LYS 0 HG2 LYS 0 4.067 -10.699 7.634 115 HG3 LYS 0 HG1 LYS 0 3.346 -9.442 6.628 116 HD2 LYS 0 HD2 LYS 0 4.873 -7.803 7.535 117 HD3 LYS 0 HD1 LYS 0 5.558 -9.008 8.629 118 HE2 LYS 0 HE2 LYS 0 6.925 -8.593 6.582 119 HE3 LYS 0 HE1 LYS 0 6.427 -10.272 6.793 120 HZ1 LYS 0 HZ1 LYS 0 6.158 -9.384 4.475 121 HZ2 LYS 0 HZ2 LYS 0 4.919 -8.373 5.059 122 HZ3 LYS 0 HZ3 LYS 0 4.760 -10.011 5.146 123 H GLY 1 HN GLY 1 0.202 -11.184 6.847 124 HA2 GLY 1 HA2 GLY 1 -0.577 -8.800 5.342 125 HA3 GLY 1 HA1 GLY 1 0.000 -10.260 4.537 126 H ILE 2 HN ILE 2 -2.579 -8.623 5.803 127 HA ILE 2 HA ILE 2 -4.322 -10.833 6.347 128 HB ILE 2 HB ILE 2 -5.028 -7.930 5.794 129 HG12 ILE 2 HG12 ILE 2 -4.567 -9.297 8.461 130 HG13 ILE 2 HG11 ILE 2 -3.429 -8.203 7.686 131 HG21 ILE 2 HG21 ILE 2 -7.092 -8.426 7.032 132 HG22 ILE 2 HG22 ILE 2 -6.596 -10.113 7.175 133 HG23 ILE 2 HG23 ILE 2 -6.941 -9.426 5.586 134 HD11 ILE 2 HD11 ILE 2 -6.198 -7.493 8.631 135 HD12 ILE 2 HD12 ILE 2 -5.056 -6.391 7.863 136 HD13 ILE 2 HD13 ILE 2 -4.682 -7.087 9.438 137 H HIS 3 HN HIS 3 -5.176 -12.055 4.797 138 HA HIS 3 HA HIS 3 -5.173 -11.189 2.072 139 HB2 HIS 3 HB2 HIS 3 -6.192 -13.723 3.376 140 HB3 HIS 3 HB1 HIS 3 -6.304 -13.417 1.651 141 HD1 HIS 3 HD1 HIS 3 -4.093 -14.924 4.099 142 HD2 HIS 3 HD2 HIS 3 -3.640 -12.965 0.467 143 HE1 HIS 3 HE1 HIS 3 -1.811 -15.535 3.258 144 H SER 4 HN SER 4 -6.520 -9.770 1.505 145 HA SER 4 HA SER 4 -9.151 -9.519 2.746 146 HB2 SER 4 HB2 SER 4 -9.061 -7.272 1.694 147 HB3 SER 4 HB1 SER 4 -7.596 -7.598 2.616 148 HG SER 4 HG SER 4 -6.469 -7.945 0.832 149 H SER 5 HN SER 5 -10.274 -8.108 0.572 150 HA SER 5 HA SER 5 -10.082 -9.407 -1.876 151 HB2 SER 5 HB2 SER 5 -12.463 -10.257 -1.934 152 HB3 SER 5 HB1 SER 5 -11.377 -11.192 -0.906 153 HG SER 5 HG SER 5 -12.298 -10.347 0.859 154 H VAL 6 HN VAL 6 -10.567 -7.927 -3.276 155 HA VAL 6 HA VAL 6 -11.642 -5.405 -2.392 156 HB VAL 6 HB VAL 6 -11.055 -6.332 -5.223 157 HG11 VAL 6 HG11 VAL 6 -11.413 -3.547 -4.106 158 HG12 VAL 6 HG12 VAL 6 -12.550 -4.398 -5.157 159 HG13 VAL 6 HG13 VAL 6 -10.960 -3.946 -5.764 160 HG21 VAL 6 HG21 VAL 6 -9.408 -4.822 -3.246 161 HG22 VAL 6 HG22 VAL 6 -8.960 -5.078 -4.946 162 HG23 VAL 6 HG23 VAL 6 -9.112 -6.460 -3.839 163 H LYS 7 HN LYS 7 -13.771 -4.982 -2.231 164 HA LYS 7 HA LYS 7 -15.513 -6.812 -3.676 165 HB2 LYS 7 HB2 LYS 7 -15.965 -5.305 -1.089 166 HB3 LYS 7 HB1 LYS 7 -17.184 -6.291 -1.933 167 HG2 LYS 7 HG2 LYS 7 -14.599 -7.342 -0.837 168 HG3 LYS 7 HG1 LYS 7 -16.132 -7.354 0.037 169 HD2 LYS 7 HD2 LYS 7 -17.100 -8.622 -1.892 170 HD3 LYS 7 HD1 LYS 7 -15.462 -8.777 -2.535 171 HE2 LYS 7 HE2 LYS 7 -14.760 -9.935 -0.517 172 HE3 LYS 7 HE1 LYS 7 -16.360 -9.715 0.188 173 HZ1 LYS 7 HZ1 LYS 7 -17.231 -11.094 -1.703 174 HZ2 LYS 7 HZ2 LYS 7 -16.231 -11.897 -0.636 175 HZ3 LYS 7 HZ3 LYS 7 -15.626 -11.452 -2.125 176 H ARG 8 HN ARG 8 -17.712 -5.715 -4.079 177 HA ARG 8 HA ARG 8 -17.094 -3.244 -5.524 178 HB2 ARG 8 HB2 ARG 8 -17.793 -5.123 -6.848 179 HB3 ARG 8 HB1 ARG 8 -19.298 -5.215 -5.931 180 HG2 ARG 8 HG2 ARG 8 -19.975 -3.073 -6.804 181 HG3 ARG 8 HG1 ARG 8 -18.418 -2.916 -7.639 182 HD2 ARG 8 HD2 ARG 8 -20.126 -5.240 -7.963 183 HD3 ARG 8 HD1 ARG 8 -20.428 -3.809 -8.992 184 HE ARG 8 HE ARG 8 -17.948 -4.170 -9.550 185 HH11 ARG 8 HH11 ARG 8 -20.090 -6.893 -8.837 186 HH12 ARG 8 HH12 ARG 8 -19.326 -7.966 -9.923 187 HH21 ARG 8 HH21 ARG 8 -16.901 -5.657 -11.055 188 HH22 ARG 8 HH22 ARG 8 -17.445 -7.252 -11.191 189 H TRP 9 HN TRP 9 -17.715 -1.475 -4.519 190 HA TRP 9 HA TRP 9 -20.177 -1.419 -2.900 191 HB2 TRP 9 HB2 TRP 9 -17.981 -0.734 -1.845 192 HB3 TRP 9 HB1 TRP 9 -17.859 0.515 -3.038 193 HD1 TRP 9 HD1 TRP 9 -21.364 0.452 -1.789 194 HE1 TRP 9 HE1 TRP 9 -21.696 2.235 -0.048 195 HE3 TRP 9 HE3 TRP 9 -16.444 1.800 -0.829 196 HZ2 TRP 9 HZ2 TRP 9 -20.260 4.031 1.428 197 HZ3 TRP 9 HZ3 TRP 9 -16.088 3.554 0.735 198 HH2 TRP 9 HH2 TRP 9 -18.000 4.649 1.894 199 H GLY 10 HN GLY 10 -21.686 -1.194 -4.428 200 HA2 GLY 10 HA2 GLY 10 -23.038 0.029 -5.822 201 HA3 GLY 10 HA1 GLY 10 -21.832 1.321 -5.814 202 H ASN 11 HN ASN 11 -20.904 1.619 -7.663 203 HA ASN 11 HA ASN 11 -20.302 -0.742 -9.318 204 HB2 ASN 11 HB2 ASN 11 -20.735 2.149 -10.098 205 HB3 ASN 11 HB1 ASN 11 -20.061 0.950 -11.191 206 HD21 ASN 11 HD21 ASN 11 -22.930 2.073 -9.593 207 HD22 ASN 11 HD22 ASN 11 -24.019 1.049 -10.461 208 H SER 12 HN SER 12 -18.570 0.177 -6.985 209 HA SER 12 HA SER 12 -16.288 0.970 -8.515 210 HB2 SER 12 HB2 SER 12 -17.265 2.253 -5.963 211 HB3 SER 12 HB1 SER 12 -15.745 2.624 -6.793 212 HG SER 12 HG SER 12 -16.839 3.975 -7.881 213 HA PRO 13 HA PRO 13 -14.634 -2.291 -5.966 214 HB2 PRO 13 HB2 PRO 13 -11.983 -1.694 -6.471 215 HB3 PRO 13 HB1 PRO 13 -12.996 -2.689 -7.518 216 HG2 PRO 13 HG2 PRO 13 -12.165 0.138 -7.824 217 HG3 PRO 13 HG1 PRO 13 -12.514 -1.075 -9.062 218 HD2 PRO 13 HD2 PRO 13 -14.230 0.964 -8.347 219 HD3 PRO 13 HD1 PRO 13 -14.750 -0.551 -9.098 220 H ALA 14 HN ALA 14 -14.392 -2.240 -3.857 221 HA ALA 14 HA ALA 14 -12.859 -0.113 -2.613 222 HB1 ALA 14 HB1 ALA 14 -15.628 -0.948 -1.750 223 HB2 ALA 14 HB2 ALA 14 -15.207 0.581 -2.518 224 HB3 ALA 14 HB3 ALA 14 -14.583 0.199 -0.913 225 H VAL 15 HN VAL 15 -11.698 -0.844 -0.926 226 HA VAL 15 HA VAL 15 -12.137 -3.643 -0.204 227 HB VAL 15 HB VAL 15 -9.923 -3.186 -1.323 228 HG11 VAL 15 HG11 VAL 15 -9.258 -1.632 1.164 229 HG12 VAL 15 HG12 VAL 15 -9.507 -0.964 -0.442 230 HG13 VAL 15 HG13 VAL 15 -8.140 -2.040 -0.143 231 HG21 VAL 15 HG21 VAL 15 -9.642 -4.123 1.532 232 HG22 VAL 15 HG22 VAL 15 -8.574 -4.524 0.185 233 HG23 VAL 15 HG23 VAL 15 -10.234 -5.105 0.201 234 H ARG 16 HN ARG 16 -12.283 -4.192 1.898 235 HA ARG 16 HA ARG 16 -12.998 -2.080 3.701 236 HB2 ARG 16 HB2 ARG 16 -13.081 -5.072 3.884 237 HB3 ARG 16 HB1 ARG 16 -13.580 -4.016 5.210 238 HG2 ARG 16 HG2 ARG 16 -15.257 -3.056 3.823 239 HG3 ARG 16 HG1 ARG 16 -14.719 -4.034 2.440 240 HD2 ARG 16 HD2 ARG 16 -15.324 -6.035 3.625 241 HD3 ARG 16 HD1 ARG 16 -15.810 -5.095 5.039 242 HE ARG 16 HE ARG 16 -17.218 -4.130 2.855 243 HH11 ARG 16 HH11 ARG 16 -17.018 -7.185 4.615 244 HH12 ARG 16 HH12 ARG 16 -18.659 -7.580 4.422 245 HH21 ARG 16 HH21 ARG 16 -19.540 -4.674 2.594 246 HH22 ARG 16 HH22 ARG 16 -20.113 -6.111 3.285 247 H ILE 17 HN ILE 17 -11.657 -1.207 5.063 248 HA ILE 17 HA ILE 17 -9.106 -2.507 5.569 249 HB ILE 17 HB ILE 17 -10.042 0.353 6.036 250 HG12 ILE 17 HG12 ILE 17 -7.840 0.837 4.747 251 HG13 ILE 17 HG11 ILE 17 -7.934 -0.848 4.270 252 HG21 ILE 17 HG21 ILE 17 -7.418 -0.796 6.917 253 HG22 ILE 17 HG22 ILE 17 -8.745 -0.271 7.972 254 HG23 ILE 17 HG23 ILE 17 -7.893 0.908 6.939 255 HD11 ILE 17 HD11 ILE 17 -8.786 0.720 2.667 256 HD12 ILE 17 HD12 ILE 17 -10.032 1.195 3.839 257 HD13 ILE 17 HD13 ILE 17 -9.988 -0.465 3.181 258 HA PRO 18 HA PRO 18 -10.675 -3.912 9.502 259 HB2 PRO 18 HB2 PRO 18 -8.186 -4.202 10.711 260 HB3 PRO 18 HB1 PRO 18 -8.978 -5.434 9.723 261 HG2 PRO 18 HG2 PRO 18 -6.836 -3.504 8.973 262 HG3 PRO 18 HG1 PRO 18 -7.066 -5.182 8.465 263 HD2 PRO 18 HD2 PRO 18 -7.666 -3.103 6.880 264 HD3 PRO 18 HD1 PRO 18 -8.605 -4.609 6.842 265 H ALA 19 HN ALA 19 -11.427 -2.662 11.064 266 HA ALA 19 HA ALA 19 -10.755 0.013 11.417 267 HB1 ALA 19 HB1 ALA 19 -12.925 -0.919 12.030 268 HB2 ALA 19 HB2 ALA 19 -12.190 -0.062 13.390 269 HB3 ALA 19 HB3 ALA 19 -12.168 -1.823 13.341 270 H THR 20 HN THR 20 -9.549 -2.857 12.983 271 HA THR 20 HA THR 20 -8.220 -1.853 15.164 272 HB THR 20 HB THR 20 -7.257 -4.025 13.294 273 HG1 THR 20 HG1 THR 20 -8.645 -5.285 14.841 274 HG21 THR 20 HG21 THR 20 -6.432 -5.059 15.344 275 HG22 THR 20 HG22 THR 20 -7.100 -3.737 16.299 276 HG23 THR 20 HG23 THR 20 -5.758 -3.434 15.194 277 H LEU 21 HN LEU 21 -7.296 -1.835 11.729 278 HA LEU 21 HA LEU 21 -4.639 -0.838 12.218 279 HB2 LEU 21 HB2 LEU 21 -6.207 -1.565 9.801 280 HB3 LEU 21 HB1 LEU 21 -4.812 -0.528 9.626 281 HG LEU 21 HG LEU 21 -4.484 -2.897 9.192 282 HD11 LEU 21 HD11 LEU 21 -2.586 -1.388 9.751 283 HD12 LEU 21 HD12 LEU 21 -2.278 -2.993 10.410 284 HD13 LEU 21 HD13 LEU 21 -2.846 -1.700 11.465 285 HD21 LEU 21 HD21 LEU 21 -4.110 -4.415 11.165 286 HD22 LEU 21 HD22 LEU 21 -5.793 -3.910 10.925 287 HD23 LEU 21 HD23 LEU 21 -4.799 -3.114 12.153 288 H MET 22 HN MET 22 -7.647 0.306 11.146 289 HA MET 22 HA MET 22 -7.072 2.962 10.465 290 HB2 MET 22 HB2 MET 22 -9.429 1.911 12.029 291 HB3 MET 22 HB1 MET 22 -9.362 3.535 11.386 292 HG2 MET 22 HG2 MET 22 -9.219 1.036 9.714 293 HG3 MET 22 HG1 MET 22 -10.702 1.927 10.059 294 HE1 MET 22 HE1 MET 22 -10.189 5.304 8.362 295 HE2 MET 22 HE2 MET 22 -9.797 4.868 10.029 296 HE3 MET 22 HE3 MET 22 -11.269 4.250 9.286 297 H GLN 23 HN GLN 23 -7.814 1.649 13.527 298 HA GLN 23 HA GLN 23 -7.220 3.878 15.159 299 HB2 GLN 23 HB2 GLN 23 -7.074 0.942 15.790 300 HB3 GLN 23 HB1 GLN 23 -7.104 2.253 16.963 301 HG2 GLN 23 HG2 GLN 23 -9.268 2.896 16.256 302 HG3 GLN 23 HG1 GLN 23 -9.265 1.719 14.960 303 HE21 GLN 23 HE21 GLN 23 -11.120 1.988 17.194 304 HE22 GLN 23 HE22 GLN 23 -11.143 0.438 17.960 305 H ALA 24 HN ALA 24 -5.278 1.315 13.837 306 HA ALA 24 HA ALA 24 -3.021 1.683 15.601 307 HB1 ALA 24 HB1 ALA 24 -3.491 -0.488 14.513 308 HB2 ALA 24 HB2 ALA 24 -1.844 0.082 14.239 309 HB3 ALA 24 HB3 ALA 24 -3.047 0.231 12.963 310 H LEU 25 HN LEU 25 -3.889 2.933 12.523 311 HA LEU 25 HA LEU 25 -1.288 4.263 12.241 312 HB2 LEU 25 HB2 LEU 25 -3.602 4.045 10.352 313 HB3 LEU 25 HB1 LEU 25 -2.051 4.776 9.984 314 HG LEU 25 HG LEU 25 -2.438 1.876 10.708 315 HD11 LEU 25 HD11 LEU 25 -2.050 1.485 8.329 316 HD12 LEU 25 HD12 LEU 25 -2.116 3.244 8.078 317 HD13 LEU 25 HD13 LEU 25 -3.538 2.382 8.661 318 HD21 LEU 25 HD21 LEU 25 -0.169 1.637 9.822 319 HD22 LEU 25 HD22 LEU 25 -0.206 2.724 11.210 320 HD23 LEU 25 HD23 LEU 25 -0.088 3.380 9.574 321 H ASN 26 HN ASN 26 -4.314 4.712 13.403 322 HA ASN 26 HA ASN 26 -5.639 6.287 14.130 323 HB2 ASN 26 HB2 ASN 26 -3.648 6.989 15.435 324 HB3 ASN 26 HB1 ASN 26 -3.239 8.131 14.157 325 HD21 ASN 26 HD21 ASN 26 -3.471 9.948 15.449 326 HD22 ASN 26 HD22 ASN 26 -4.994 10.511 16.002 327 H LEU 27 HN LEU 27 -6.554 6.052 11.935 328 HA LEU 27 HA LEU 27 -6.921 8.717 10.922 329 HB2 LEU 27 HB2 LEU 27 -7.368 7.768 8.797 330 HB3 LEU 27 HB1 LEU 27 -5.676 7.561 9.233 331 HG LEU 27 HG LEU 27 -7.597 5.301 9.648 332 HD11 LEU 27 HD11 LEU 27 -7.287 4.615 7.370 333 HD12 LEU 27 HD12 LEU 27 -6.309 6.077 7.049 334 HD13 LEU 27 HD13 LEU 27 -8.029 6.219 7.448 335 HD21 LEU 27 HD21 LEU 27 -5.296 5.139 10.403 336 HD22 LEU 27 HD22 LEU 27 -4.721 5.503 8.776 337 HD23 LEU 27 HD23 LEU 27 -5.609 4.006 9.087 338 H ASN 28 HN ASN 28 -9.019 8.861 9.932 339 HA ASN 28 HA ASN 28 -10.988 7.100 11.251 340 HB2 ASN 28 HB2 ASN 28 -11.057 10.115 11.043 341 HB3 ASN 28 HB1 ASN 28 -12.429 9.142 11.525 342 HD21 ASN 28 HD21 ASN 28 -10.722 7.280 13.097 343 HD22 ASN 28 HD22 ASN 28 -10.316 8.165 14.509 344 H ILE 29 HN ILE 29 -13.297 8.126 10.237 345 HA ILE 29 HA ILE 29 -13.141 7.391 7.478 346 HB ILE 29 HB ILE 29 -15.443 8.308 9.238 347 HG12 ILE 29 HG12 ILE 29 -14.627 6.051 9.755 348 HG13 ILE 29 HG11 ILE 29 -16.233 5.993 9.052 349 HG21 ILE 29 HG21 ILE 29 -15.900 9.023 6.957 350 HG22 ILE 29 HG22 ILE 29 -17.011 7.772 7.478 351 HG23 ILE 29 HG23 ILE 29 -15.678 7.370 6.384 352 HD11 ILE 29 HD11 ILE 29 -13.642 5.375 7.653 353 HD12 ILE 29 HD12 ILE 29 -15.242 5.358 6.910 354 HD13 ILE 29 HD13 ILE 29 -14.862 4.225 8.208 355 H ASP 30 HN ASP 30 -13.506 8.692 5.766 356 HA ASP 30 HA ASP 30 -13.526 10.494 4.437 357 HB2 ASP 30 HB2 ASP 30 -15.487 11.185 5.879 358 HB3 ASP 30 HB1 ASP 30 -14.366 12.093 6.879 359 H ASP 31 HN ASP 31 -11.265 9.589 5.964 360 HA ASP 31 HA ASP 31 -9.714 12.017 6.326 361 HB2 ASP 31 HB2 ASP 31 -9.876 10.108 8.014 362 HB3 ASP 31 HB1 ASP 31 -8.868 9.178 6.914 363 H GLU 32 HN GLU 32 -8.045 12.371 5.051 364 HA GLU 32 HA GLU 32 -8.161 11.207 2.410 365 HB2 GLU 32 HB2 GLU 32 -8.310 13.560 2.601 366 HB3 GLU 32 HB1 GLU 32 -6.930 13.642 3.668 367 HG2 GLU 32 HG2 GLU 32 -5.488 13.000 1.806 368 HG3 GLU 32 HG1 GLU 32 -6.903 12.951 0.749 369 H VAL 33 HN VAL 33 -6.677 9.702 1.753 370 HA VAL 33 HA VAL 33 -4.087 9.819 3.076 371 HB VAL 33 HB VAL 33 -3.824 7.507 3.308 372 HG11 VAL 33 HG11 VAL 33 -5.743 6.637 4.428 373 HG12 VAL 33 HG12 VAL 33 -6.699 7.902 3.628 374 HG13 VAL 33 HG13 VAL 33 -5.433 8.362 4.809 375 HG21 VAL 33 HG21 VAL 33 -5.218 5.764 2.277 376 HG22 VAL 33 HG22 VAL 33 -4.428 6.782 1.068 377 HG23 VAL 33 HG23 VAL 33 -6.137 7.018 1.439 378 H LYS 34 HN LYS 34 -2.359 8.987 1.793 379 HA LYS 34 HA LYS 34 -2.912 9.549 -1.024 380 HB2 LYS 34 HB2 LYS 34 -0.261 9.198 0.344 381 HB3 LYS 34 HB1 LYS 34 -0.438 9.269 -1.395 382 HG2 LYS 34 HG2 LYS 34 -1.679 11.543 -0.776 383 HG3 LYS 34 HG1 LYS 34 -0.601 11.422 0.622 384 HD2 LYS 34 HD2 LYS 34 0.236 11.311 -2.287 385 HD3 LYS 34 HD1 LYS 34 0.473 12.666 -1.193 386 HE2 LYS 34 HE2 LYS 34 2.034 11.448 0.117 387 HE3 LYS 34 HE1 LYS 34 1.626 9.930 -0.674 388 HZ1 LYS 34 HZ1 LYS 34 2.804 12.198 -2.185 389 HZ2 LYS 34 HZ2 LYS 34 2.791 10.542 -2.608 390 HZ3 LYS 34 HZ3 LYS 34 3.745 11.099 -1.349 391 H ILE 35 HN ILE 35 -3.399 8.039 -2.323 392 HA ILE 35 HA ILE 35 -2.441 5.320 -1.886 393 HB ILE 35 HB ILE 35 -3.806 6.340 -4.394 394 HG12 ILE 35 HG12 ILE 35 -5.264 7.086 -2.556 395 HG13 ILE 35 HG11 ILE 35 -6.034 5.842 -3.521 396 HG21 ILE 35 HG21 ILE 35 -4.644 4.078 -4.556 397 HG22 ILE 35 HG22 ILE 35 -3.863 3.689 -3.020 398 HG23 ILE 35 HG23 ILE 35 -2.878 4.138 -4.423 399 HD11 ILE 35 HD11 ILE 35 -5.578 4.207 -1.753 400 HD12 ILE 35 HD12 ILE 35 -6.493 5.599 -1.148 401 HD13 ILE 35 HD13 ILE 35 -4.769 5.466 -0.812 402 H ASP 36 HN ASP 36 -0.197 5.570 -2.182 403 HA ASP 36 HA ASP 36 0.679 7.152 -4.516 404 HB2 ASP 36 HB2 ASP 36 1.398 7.805 -2.091 405 HB3 ASP 36 HB1 ASP 36 2.371 6.387 -2.096 406 H LEU 37 HN LEU 37 1.533 6.034 -6.232 407 HA LEU 37 HA LEU 37 1.730 3.275 -5.924 408 HB2 LEU 37 HB2 LEU 37 0.567 4.612 -7.779 409 HB3 LEU 37 HB1 LEU 37 2.198 5.037 -8.261 410 HG LEU 37 HG LEU 37 1.146 3.271 -9.641 411 HD11 LEU 37 HD11 LEU 37 3.109 1.795 -9.698 412 HD12 LEU 37 HD12 LEU 37 3.611 2.585 -8.170 413 HD13 LEU 37 HD13 LEU 37 3.468 3.536 -9.635 414 HD21 LEU 37 HD21 LEU 37 -0.029 2.203 -7.804 415 HD22 LEU 37 HD22 LEU 37 1.508 1.536 -7.225 416 HD23 LEU 37 HD23 LEU 37 0.867 1.061 -8.805 417 H VAL 38 HN VAL 38 3.476 2.333 -5.787 418 HA VAL 38 HA VAL 38 6.087 3.471 -6.496 419 HB VAL 38 HB VAL 38 5.582 2.293 -3.736 420 HG11 VAL 38 HG11 VAL 38 8.129 3.392 -4.909 421 HG12 VAL 38 HG12 VAL 38 7.788 1.698 -4.544 422 HG13 VAL 38 HG13 VAL 38 7.913 2.876 -3.237 423 HG21 VAL 38 HG21 VAL 38 6.284 5.131 -4.493 424 HG22 VAL 38 HG22 VAL 38 6.174 4.504 -2.844 425 HG23 VAL 38 HG23 VAL 38 4.736 4.574 -3.858 426 H ASP 39 HN ASP 39 7.135 1.997 -7.607 427 HA ASP 39 HA ASP 39 7.904 0.087 -8.520 428 HB2 ASP 39 HB2 ASP 39 8.940 -0.060 -6.265 429 HB3 ASP 39 HB1 ASP 39 7.579 -1.028 -5.721 430 H GLY 40 HN GLY 40 4.998 0.448 -8.422 431 HA2 GLY 40 HA2 GLY 40 3.384 -0.716 -9.656 432 HA3 GLY 40 HA1 GLY 40 4.392 -2.153 -9.541 433 H LYS 41 HN LYS 41 3.912 -0.706 -6.500 434 HA LYS 41 HA LYS 41 1.487 -2.271 -6.138 435 HB2 LYS 41 HB2 LYS 41 2.107 -2.763 -3.796 436 HB3 LYS 41 HB1 LYS 41 3.188 -3.531 -4.925 437 HG2 LYS 41 HG2 LYS 41 3.960 -0.902 -3.751 438 HG3 LYS 41 HG1 LYS 41 4.029 -2.325 -2.721 439 HD2 LYS 41 HD2 LYS 41 5.450 -2.040 -5.378 440 HD3 LYS 41 HD1 LYS 41 6.198 -1.762 -3.805 441 HE2 LYS 41 HE2 LYS 41 5.587 -4.093 -3.189 442 HE3 LYS 41 HE1 LYS 41 5.056 -4.367 -4.836 443 HZ1 LYS 41 HZ1 LYS 41 7.799 -3.806 -3.891 444 HZ2 LYS 41 HZ2 LYS 41 7.422 -3.709 -5.510 445 HZ3 LYS 41 HZ3 LYS 41 7.242 -5.173 -4.691 446 H LEU 42 HN LEU 42 0.140 -1.497 -4.352 447 HA LEU 42 HA LEU 42 0.237 1.401 -4.450 448 HB2 LEU 42 HB2 LEU 42 -2.003 -0.442 -3.592 449 HB3 LEU 42 HB1 LEU 42 -2.093 1.304 -3.538 450 HG LEU 42 HG LEU 42 -1.511 -0.127 -6.054 451 HD11 LEU 42 HD11 LEU 42 -4.254 0.488 -4.859 452 HD12 LEU 42 HD12 LEU 42 -3.603 -1.126 -5.138 453 HD13 LEU 42 HD13 LEU 42 -4.006 -0.087 -6.504 454 HD21 LEU 42 HD21 LEU 42 -1.292 2.338 -6.171 455 HD22 LEU 42 HD22 LEU 42 -2.908 2.486 -5.485 456 HD23 LEU 42 HD23 LEU 42 -2.698 1.795 -7.072 457 H ILE 43 HN ILE 43 0.900 2.454 -3.023 458 HA ILE 43 HA ILE 43 1.507 1.248 -0.429 459 HB ILE 43 HB ILE 43 2.500 3.699 -1.787 460 HG12 ILE 43 HG12 ILE 43 3.287 1.782 -2.885 461 HG13 ILE 43 HG11 ILE 43 4.631 2.549 -2.018 462 HG21 ILE 43 HG21 ILE 43 2.580 4.084 0.519 463 HG22 ILE 43 HG22 ILE 43 4.238 3.831 -0.038 464 HG23 ILE 43 HG23 ILE 43 3.385 2.543 0.846 465 HD11 ILE 43 HD11 ILE 43 4.760 0.112 -1.881 466 HD12 ILE 43 HD12 ILE 43 3.142 0.056 -1.199 467 HD13 ILE 43 HD13 ILE 43 4.456 0.818 -0.295 468 H ILE 44 HN ILE 44 0.345 1.818 1.192 469 HA ILE 44 HA ILE 44 -1.358 4.195 0.960 470 HB ILE 44 HB ILE 44 -1.674 1.824 2.784 471 HG12 ILE 44 HG12 ILE 44 -2.093 1.141 0.487 472 HG13 ILE 44 HG11 ILE 44 -3.611 1.175 1.374 473 HG21 ILE 44 HG21 ILE 44 -3.936 2.722 3.265 474 HG22 ILE 44 HG22 ILE 44 -3.556 4.135 2.278 475 HG23 ILE 44 HG23 ILE 44 -2.651 3.827 3.761 476 HD11 ILE 44 HD11 ILE 44 -2.631 3.248 -0.579 477 HD12 ILE 44 HD12 ILE 44 -4.136 3.335 0.336 478 HD13 ILE 44 HD13 ILE 44 -3.902 2.056 -0.855 479 H GLU 45 HN GLU 45 -0.309 5.784 1.800 480 HA GLU 45 HA GLU 45 0.783 5.590 4.527 481 HB2 GLU 45 HB2 GLU 45 2.550 6.092 2.864 482 HB3 GLU 45 HB1 GLU 45 1.571 7.379 2.169 483 HG2 GLU 45 HG2 GLU 45 3.300 8.393 3.389 484 HG3 GLU 45 HG1 GLU 45 1.866 8.562 4.386 485 HA PRO 46 HA PRO 46 -2.650 8.298 4.803 486 HB2 PRO 46 HB2 PRO 46 -2.157 9.037 7.519 487 HB3 PRO 46 HB1 PRO 46 -3.280 7.819 6.916 488 HG2 PRO 46 HG2 PRO 46 -1.059 7.376 8.353 489 HG3 PRO 46 HG1 PRO 46 -1.842 6.117 7.369 490 HD2 PRO 46 HD2 PRO 46 0.531 7.848 6.750 491 HD3 PRO 46 HD1 PRO 46 0.355 6.166 6.281 492 H VAL 47 HN VAL 47 -3.061 10.537 5.473 493 HA VAL 47 HA VAL 47 -0.704 12.126 4.735 494 HB VAL 47 HB VAL 47 -3.554 13.144 4.782 495 HG11 VAL 47 HG11 VAL 47 -1.815 14.859 5.010 496 HG12 VAL 47 HG12 VAL 47 -2.678 14.965 3.453 497 HG13 VAL 47 HG13 VAL 47 -1.077 14.206 3.528 498 HG21 VAL 47 HG21 VAL 47 -3.506 11.568 3.054 499 HG22 VAL 47 HG22 VAL 47 -1.924 12.140 2.480 500 HG23 VAL 47 HG23 VAL 47 -3.354 13.145 2.279 501 H ARG 48 HN ARG 48 0.306 12.718 6.353 502 HA ARG 48 HA ARG 48 -0.986 12.813 8.904 503 HB2 ARG 48 HB2 ARG 48 1.919 13.247 8.251 504 HB3 ARG 48 HB1 ARG 48 1.232 12.917 9.842 505 HG2 ARG 48 HG2 ARG 48 0.427 10.722 8.984 506 HG3 ARG 48 HG1 ARG 48 1.261 11.044 7.480 507 HD2 ARG 48 HD2 ARG 48 3.367 11.259 8.815 508 HD3 ARG 48 HD1 ARG 48 2.435 10.692 10.206 509 HE ARG 48 HE ARG 48 2.522 9.079 7.758 510 HH11 ARG 48 HH11 ARG 48 3.421 9.365 11.184 511 HH12 ARG 48 HH12 ARG 48 3.845 7.711 11.298 512 HH21 ARG 48 HH21 ARG 48 3.146 6.926 7.943 513 HH22 ARG 48 HH22 ARG 48 3.689 6.287 9.458 514 H LYS 49 HN LYS 49 -1.388 14.479 10.057 515 HA LYS 49 HA LYS 49 -1.542 16.974 8.677 516 HB2 LYS 49 HB2 LYS 49 -2.698 16.011 11.287 517 HB3 LYS 49 HB1 LYS 49 -2.796 17.684 10.790 518 HG2 LYS 49 HG2 LYS 49 -4.877 16.487 10.309 519 HG3 LYS 49 HG1 LYS 49 -4.110 17.021 8.815 520 HD2 LYS 49 HD2 LYS 49 -3.246 14.831 8.427 521 HD3 LYS 49 HD1 LYS 49 -3.824 14.265 9.977 522 HE2 LYS 49 HE2 LYS 49 -6.155 14.627 9.184 523 HE3 LYS 49 HE1 LYS 49 -5.517 15.189 7.638 524 HZ1 LYS 49 HZ1 LYS 49 -5.122 12.507 8.801 525 HZ2 LYS 49 HZ2 LYS 49 -4.469 12.995 7.359 526 HZ3 LYS 49 HZ3 LYS 49 -6.146 12.811 7.512 527 H GLU 50 HN GLU 50 0.295 17.774 8.606 528 HA GLU 50 HA GLU 50 1.425 18.823 11.100 529 HB2 GLU 50 HB2 GLU 50 2.936 17.063 10.126 530 HB3 GLU 50 HB1 GLU 50 3.049 18.015 8.659 531 HG2 GLU 50 HG2 GLU 50 4.113 19.829 9.892 532 HG3 GLU 50 HG1 GLU 50 3.961 18.917 11.389 533 H1 ASN -16 HT1 ASN -16 14.238 22.162 -0.004 534 H2 ASN -16 HT2 ASN -16 14.596 21.529 -1.512 535 H3 ASN -16 HT3 ASN -16 14.795 23.173 -1.220 536 HA ASN -16 HA ASN -16 16.276 20.978 0.107 537 HB2 ASN -16 HB2 ASN -16 17.299 23.000 -1.937 538 HB3 ASN -16 HB1 ASN -16 18.270 21.775 -1.143 539 HD21 ASN -16 HD21 ASN -16 18.898 20.725 -3.000 540 HD22 ASN -16 HD22 ASN -16 17.793 19.863 -4.012 541 H HIS -15 HN HIS -15 16.923 24.383 -0.692 542 HA HIS -15 HA HIS -15 17.351 24.869 2.145 543 HB2 HIS -15 HB2 HIS -15 17.939 26.587 -0.311 544 HB3 HIS -15 HB1 HIS -15 18.213 27.112 1.344 545 HD1 HIS -15 HD1 HIS -15 20.474 26.494 2.373 546 HD2 HIS -15 HD2 HIS -15 19.637 24.389 -1.113 547 HE1 HIS -15 HE1 HIS -15 22.583 25.285 1.766 548 H LYS -14 HN LYS -14 15.484 25.028 3.009 549 HA LYS -14 HA LYS -14 13.431 25.436 3.585 550 HB2 LYS -14 HB2 LYS -14 12.293 27.486 3.194 551 HB3 LYS -14 HB1 LYS -14 13.986 27.928 3.096 552 HG2 LYS -14 HG2 LYS -14 13.838 28.016 0.663 553 HG3 LYS -14 HG1 LYS -14 12.181 27.432 0.726 554 HD2 LYS -14 HD2 LYS -14 12.230 29.847 0.378 555 HD3 LYS -14 HD1 LYS -14 11.506 29.450 1.935 556 HE2 LYS -14 HE2 LYS -14 12.990 31.347 2.162 557 HE3 LYS -14 HE1 LYS -14 13.640 29.970 3.038 558 HZ1 LYS -14 HZ1 LYS -14 15.132 29.562 1.161 559 HZ2 LYS -14 HZ2 LYS -14 15.366 31.058 1.851 560 HZ3 LYS -14 HZ3 LYS -14 14.556 30.946 0.378 561 H VAL -13 HN VAL -13 11.147 25.310 2.830 562 HA VAL -13 HA VAL -13 11.061 23.335 0.755 563 HB VAL -13 HB VAL -13 8.753 24.634 2.245 564 HG11 VAL -13 HG11 VAL -13 8.831 22.145 0.547 565 HG12 VAL -13 HG12 VAL -13 8.020 23.661 0.146 566 HG13 VAL -13 HG13 VAL -13 7.445 22.684 1.496 567 HG21 VAL -13 HG21 VAL -13 8.716 22.565 3.579 568 HG22 VAL -13 HG22 VAL -13 10.236 23.440 3.761 569 HG23 VAL -13 HG23 VAL -13 10.162 22.011 2.733 570 H HIS -12 HN HIS -12 11.423 24.108 -1.211 571 HA HIS -12 HA HIS -12 10.205 26.579 -2.058 572 HB2 HIS -12 HB2 HIS -12 12.547 25.899 -2.746 573 HB3 HIS -12 HB1 HIS -12 11.828 24.586 -3.664 574 HD1 HIS -12 HD1 HIS -12 13.062 27.925 -4.109 575 HD2 HIS -12 HD2 HIS -12 9.971 25.697 -5.746 576 HE1 HIS -12 HE1 HIS -12 12.540 28.998 -6.309 577 H HIS -11 HN HIS -11 8.094 26.372 -2.322 578 HA HIS -11 HA HIS -11 6.866 23.961 -3.285 579 HB2 HIS -11 HB2 HIS -11 5.735 25.409 -1.606 580 HB3 HIS -11 HB1 HIS -11 5.664 26.711 -2.788 581 HD1 HIS -11 HD1 HIS -11 3.361 26.879 -3.874 582 HD2 HIS -11 HD2 HIS -11 4.284 23.003 -2.659 583 HE1 HIS -11 HE1 HIS -11 1.365 25.474 -4.425 584 H HIS -10 HN HIS -10 7.028 23.484 -5.342 585 HA HIS -10 HA HIS -10 6.891 25.701 -7.237 586 HB2 HIS -10 HB2 HIS -10 9.139 24.677 -7.244 587 HB3 HIS -10 HB1 HIS -10 8.427 23.108 -7.583 588 HD1 HIS -10 HD1 HIS -10 9.001 26.496 -9.257 589 HD2 HIS -10 HD2 HIS -10 7.988 22.585 -10.225 590 HE1 HIS -10 HE1 HIS -10 9.100 26.350 -11.751 591 H HIS -9 HN HIS -9 4.700 25.576 -7.346 592 HA HIS -9 HA HIS -9 3.612 23.176 -8.593 593 HB2 HIS -9 HB2 HIS -9 2.414 24.247 -6.614 594 HB3 HIS -9 HB1 HIS -9 2.160 25.665 -7.622 595 HD1 HIS -9 HD1 HIS -9 0.089 25.630 -9.108 596 HD2 HIS -9 HD2 HIS -9 1.052 21.905 -7.539 597 HE1 HIS -9 HE1 HIS -9 -1.836 24.111 -9.678 598 H HIS -8 HN HIS -8 4.433 23.386 -10.595 599 HA HIS -8 HA HIS -8 4.527 25.963 -11.873 600 HB2 HIS -8 HB2 HIS -8 6.395 24.420 -12.177 601 HB3 HIS -8 HB1 HIS -8 5.330 23.234 -12.913 602 HD1 HIS -8 HD1 HIS -8 6.531 23.186 -15.197 603 HD2 HIS -8 HD2 HIS -8 5.363 26.994 -14.016 604 HE1 HIS -8 HE1 HIS -8 6.866 24.668 -17.199 605 H HIS -7 HN HIS -7 3.387 22.946 -13.239 606 HA HIS -7 HA HIS -7 0.785 23.832 -13.893 607 HB2 HIS -7 HB2 HIS -7 2.177 25.255 -15.473 608 HB3 HIS -7 HB1 HIS -7 2.791 23.772 -16.179 609 HD1 HIS -7 HD1 HIS -7 -0.065 26.115 -16.307 610 HD2 HIS -7 HD2 HIS -7 0.832 22.293 -17.652 611 HE1 HIS -7 HE1 HIS -7 -1.733 25.605 -18.111 612 H MET -6 HN MET -6 3.514 22.023 -15.185 613 HA MET -6 HA MET -6 1.907 19.625 -15.298 614 HB2 MET -6 HB2 MET -6 3.502 20.106 -17.133 615 HB3 MET -6 HB1 MET -6 4.825 20.115 -15.984 616 HG2 MET -6 HG2 MET -6 4.492 17.742 -15.552 617 HG3 MET -6 HG1 MET -6 3.124 17.722 -16.663 618 HE1 MET -6 HE1 MET -6 4.784 18.301 -20.139 619 HE2 MET -6 HE2 MET -6 4.065 19.526 -19.099 620 HE3 MET -6 HE3 MET -6 3.291 17.946 -19.264 621 H SER -5 HN SER -5 1.515 19.833 -12.975 622 HA SER -5 HA SER -5 3.724 19.280 -11.193 623 HB2 SER -5 HB2 SER -5 0.767 19.548 -10.569 624 HB3 SER -5 HB1 SER -5 2.126 19.753 -9.460 625 HG SER -5 HG SER -5 0.983 21.668 -10.629 626 H ASP -4 HN ASP -4 1.997 17.585 -13.239 627 HA ASP -4 HA ASP -4 0.979 15.314 -11.929 628 HB2 ASP -4 HB2 ASP -4 2.037 15.551 -14.761 629 HB3 ASP -4 HB1 ASP -4 0.999 14.273 -14.153 630 H ASP -3 HN ASP -3 4.093 16.346 -12.496 631 HA ASP -3 HA ASP -3 5.514 13.900 -12.828 632 HB2 ASP -3 HB2 ASP -3 6.531 16.054 -13.400 633 HB3 ASP -3 HB1 ASP -3 6.467 16.545 -11.716 634 H ASP -2 HN ASP -2 4.935 15.921 -9.972 635 HA ASP -2 HA ASP -2 6.147 13.962 -8.209 636 HB2 ASP -2 HB2 ASP -2 6.413 16.344 -7.742 637 HB3 ASP -2 HB1 ASP -2 4.671 16.538 -7.621 638 H ASP -1 HN ASP -1 3.074 14.769 -9.392 639 HA ASP -1 HA ASP -1 1.594 13.672 -7.215 640 HB2 ASP -1 HB2 ASP -1 0.683 15.511 -8.594 641 HB3 ASP -1 HB1 ASP -1 0.584 14.400 -9.957 642 H LYS 0 HN LYS 0 2.307 11.632 -7.017 643 HA LYS 0 HA LYS 0 1.099 9.725 -8.916 644 HB2 LYS 0 HB2 LYS 0 2.893 8.110 -8.255 645 HB3 LYS 0 HB1 LYS 0 3.493 9.495 -9.152 646 HG2 LYS 0 HG2 LYS 0 4.351 10.494 -7.167 647 HG3 LYS 0 HG1 LYS 0 3.565 9.280 -6.155 648 HD2 LYS 0 HD2 LYS 0 4.977 7.554 -7.048 649 HD3 LYS 0 HD1 LYS 0 5.680 8.681 -8.207 650 HE2 LYS 0 HE2 LYS 0 7.130 8.272 -6.250 651 HE3 LYS 0 HE1 LYS 0 6.669 9.958 -6.448 652 HZ1 LYS 0 HZ1 LYS 0 6.548 9.153 -4.137 653 HZ2 LYS 0 HZ2 LYS 0 5.261 8.118 -4.561 654 HZ3 LYS 0 HZ3 LYS 0 5.098 9.761 -4.708 655 H GLY 1 HN GLY 1 0.521 11.155 -6.289 656 HA2 GLY 1 HA2 GLY 1 -0.314 8.764 -4.820 657 HA3 GLY 1 HA1 GLY 1 0.249 10.226 -4.004 658 H ILE 2 HN ILE 2 -2.331 8.561 -5.204 659 HA ILE 2 HA ILE 2 -4.028 10.792 -5.818 660 HB ILE 2 HB ILE 2 -4.800 7.901 -5.278 661 HG12 ILE 2 HG12 ILE 2 -4.244 9.296 -7.912 662 HG13 ILE 2 HG11 ILE 2 -3.172 8.140 -7.137 663 HG21 ILE 2 HG21 ILE 2 -6.840 8.445 -6.534 664 HG22 ILE 2 HG22 ILE 2 -6.302 10.116 -6.679 665 HG23 ILE 2 HG23 ILE 2 -6.684 9.449 -5.092 666 HD11 ILE 2 HD11 ILE 2 -5.941 7.567 -8.177 667 HD12 ILE 2 HD12 ILE 2 -4.866 6.397 -7.406 668 HD13 ILE 2 HD13 ILE 2 -4.422 7.119 -8.954 669 H HIS 3 HN HIS 3 -4.851 12.068 -4.305 670 HA HIS 3 HA HIS 3 -4.908 11.291 -1.557 671 HB2 HIS 3 HB2 HIS 3 -5.912 13.776 -2.974 672 HB3 HIS 3 HB1 HIS 3 -5.985 13.554 -1.231 673 HD1 HIS 3 HD1 HIS 3 -3.742 14.727 -3.911 674 HD2 HIS 3 HD2 HIS 3 -3.381 13.401 0.013 675 HE1 HIS 3 HE1 HIS 3 -1.458 15.459 -3.132 676 H SER 4 HN SER 4 -6.307 9.979 -0.900 677 HA SER 4 HA SER 4 -8.894 9.668 -2.222 678 HB2 SER 4 HB2 SER 4 -8.788 7.441 -1.048 679 HB3 SER 4 HB1 SER 4 -7.388 7.739 -2.079 680 HG SER 4 HG SER 4 -6.172 8.092 -0.415 681 H SER 5 HN SER 5 -10.093 8.305 -0.119 682 HA SER 5 HA SER 5 -10.008 9.625 2.310 683 HB2 SER 5 HB2 SER 5 -12.430 10.428 2.176 684 HB3 SER 5 HB1 SER 5 -11.249 11.392 1.294 685 HG SER 5 HG SER 5 -12.025 10.693 -0.574 686 H VAL 6 HN VAL 6 -10.508 8.140 3.685 687 HA VAL 6 HA VAL 6 -11.588 5.616 2.790 688 HB VAL 6 HB VAL 6 -10.957 6.532 5.615 689 HG11 VAL 6 HG11 VAL 6 -11.365 3.751 4.502 690 HG12 VAL 6 HG12 VAL 6 -12.483 4.619 5.554 691 HG13 VAL 6 HG13 VAL 6 -10.893 4.146 6.157 692 HG21 VAL 6 HG21 VAL 6 -9.350 4.993 3.623 693 HG22 VAL 6 HG22 VAL 6 -8.876 5.259 5.313 694 HG23 VAL 6 HG23 VAL 6 -9.028 6.632 4.194 695 H LYS 7 HN LYS 7 -13.700 5.338 2.543 696 HA LYS 7 HA LYS 7 -15.423 7.146 4.036 697 HB2 LYS 7 HB2 LYS 7 -15.897 5.643 1.452 698 HB3 LYS 7 HB1 LYS 7 -17.098 6.650 2.296 699 HG2 LYS 7 HG2 LYS 7 -14.489 7.671 1.228 700 HG3 LYS 7 HG1 LYS 7 -15.996 7.683 0.316 701 HD2 LYS 7 HD2 LYS 7 -17.012 9.002 2.179 702 HD3 LYS 7 HD1 LYS 7 -15.412 9.106 2.912 703 HE2 LYS 7 HE2 LYS 7 -14.535 10.259 0.978 704 HE3 LYS 7 HE1 LYS 7 -16.062 10.054 0.125 705 HZ1 LYS 7 HZ1 LYS 7 -17.120 11.493 1.759 706 HZ2 LYS 7 HZ2 LYS 7 -15.860 12.263 0.994 707 HZ3 LYS 7 HZ3 LYS 7 -15.653 11.754 2.568 708 H ARG 8 HN ARG 8 -17.702 6.013 4.279 709 HA ARG 8 HA ARG 8 -17.100 3.583 5.789 710 HB2 ARG 8 HB2 ARG 8 -17.732 5.390 7.196 711 HB3 ARG 8 HB1 ARG 8 -19.172 5.716 6.236 712 HG2 ARG 8 HG2 ARG 8 -20.134 3.625 6.971 713 HG3 ARG 8 HG1 ARG 8 -18.648 3.235 7.844 714 HD2 ARG 8 HD2 ARG 8 -20.249 5.705 8.349 715 HD3 ARG 8 HD1 ARG 8 -20.509 4.194 9.233 716 HE ARG 8 HE ARG 8 -18.094 4.414 9.877 717 HH11 ARG 8 HH11 ARG 8 -19.872 7.407 9.063 718 HH12 ARG 8 HH12 ARG 8 -19.028 8.321 10.211 719 HH21 ARG 8 HH21 ARG 8 -16.991 5.723 11.422 720 HH22 ARG 8 HH22 ARG 8 -17.392 7.379 11.570 721 H TRP 9 HN TRP 9 -17.771 1.824 4.808 722 HA TRP 9 HA TRP 9 -20.227 1.806 3.183 723 HB2 TRP 9 HB2 TRP 9 -18.015 1.086 2.167 724 HB3 TRP 9 HB1 TRP 9 -17.953 -0.168 3.355 725 HD1 TRP 9 HD1 TRP 9 -21.440 -0.030 2.005 726 HE1 TRP 9 HE1 TRP 9 -21.750 -1.819 0.255 727 HE3 TRP 9 HE3 TRP 9 -16.514 -1.477 1.187 728 HZ2 TRP 9 HZ2 TRP 9 -20.308 -3.645 -1.162 729 HZ3 TRP 9 HZ3 TRP 9 -16.146 -3.236 -0.354 730 HH2 TRP 9 HH2 TRP 9 -18.054 -4.299 -1.568 731 H GLY 10 HN GLY 10 -21.796 1.529 4.681 732 HA2 GLY 10 HA2 GLY 10 -23.116 0.330 6.115 733 HA3 GLY 10 HA1 GLY 10 -21.904 -0.962 6.116 734 H ASN 11 HN ASN 11 -21.056 -1.222 8.065 735 HA ASN 11 HA ASN 11 -20.343 1.231 9.500 736 HB2 ASN 11 HB2 ASN 11 -20.931 -1.525 10.619 737 HB3 ASN 11 HB1 ASN 11 -20.269 -0.202 11.574 738 HD21 ASN 11 HD21 ASN 11 -23.062 -1.554 10.130 739 HD22 ASN 11 HD22 ASN 11 -24.208 -0.421 10.730 740 H SER 12 HN SER 12 -18.658 0.095 7.306 741 HA SER 12 HA SER 12 -16.391 -0.610 8.889 742 HB2 SER 12 HB2 SER 12 -17.347 -1.997 6.386 743 HB3 SER 12 HB1 SER 12 -15.782 -2.279 7.174 744 HG SER 12 HG SER 12 -16.797 -3.169 8.879 745 HA PRO 13 HA PRO 13 -14.663 2.580 6.317 746 HB2 PRO 13 HB2 PRO 13 -12.028 1.948 6.868 747 HB3 PRO 13 HB1 PRO 13 -13.041 2.971 7.886 748 HG2 PRO 13 HG2 PRO 13 -12.262 0.131 8.238 749 HG3 PRO 13 HG1 PRO 13 -12.603 1.367 9.458 750 HD2 PRO 13 HD2 PRO 13 -14.348 -0.650 8.754 751 HD3 PRO 13 HD1 PRO 13 -14.850 0.891 9.468 752 H ALA 14 HN ALA 14 -14.356 2.538 4.229 753 HA ALA 14 HA ALA 14 -12.862 0.376 3.004 754 HB1 ALA 14 HB1 ALA 14 -15.612 1.258 2.120 755 HB2 ALA 14 HB2 ALA 14 -15.217 -0.282 2.882 756 HB3 ALA 14 HB3 ALA 14 -14.581 0.095 1.281 757 H VAL 15 HN VAL 15 -11.673 1.088 1.313 758 HA VAL 15 HA VAL 15 -12.013 3.914 0.613 759 HB VAL 15 HB VAL 15 -9.823 3.330 1.716 760 HG11 VAL 15 HG11 VAL 15 -9.235 1.781 -0.790 761 HG12 VAL 15 HG12 VAL 15 -9.486 1.114 0.821 762 HG13 VAL 15 HG13 VAL 15 -8.089 2.142 0.507 763 HG21 VAL 15 HG21 VAL 15 -8.368 4.496 0.029 764 HG22 VAL 15 HG22 VAL 15 -9.860 5.319 0.437 765 HG23 VAL 15 HG23 VAL 15 -9.736 4.436 -1.085 766 H ARG 16 HN ARG 16 -12.114 4.491 -1.492 767 HA ARG 16 HA ARG 16 -12.928 2.410 -3.294 768 HB2 ARG 16 HB2 ARG 16 -12.946 5.402 -3.428 769 HB3 ARG 16 HB1 ARG 16 -13.444 4.385 -4.791 770 HG2 ARG 16 HG2 ARG 16 -15.141 3.402 -3.444 771 HG3 ARG 16 HG1 ARG 16 -14.614 4.353 -2.033 772 HD2 ARG 16 HD2 ARG 16 -15.221 6.375 -3.180 773 HD3 ARG 16 HD1 ARG 16 -15.665 5.462 -4.620 774 HE ARG 16 HE ARG 16 -17.108 4.444 -2.471 775 HH11 ARG 16 HH11 ARG 16 -16.971 7.504 -4.231 776 HH12 ARG 16 HH12 ARG 16 -18.642 7.825 -4.062 777 HH21 ARG 16 HH21 ARG 16 -19.462 4.926 -2.256 778 HH22 ARG 16 HH22 ARG 16 -20.040 6.352 -2.960 779 H ILE 17 HN ILE 17 -11.620 1.489 -4.686 780 HA ILE 17 HA ILE 17 -9.034 2.712 -5.176 781 HB ILE 17 HB ILE 17 -10.026 -0.130 -5.621 782 HG12 ILE 17 HG12 ILE 17 -7.833 -0.632 -4.316 783 HG13 ILE 17 HG11 ILE 17 -7.921 1.054 -3.843 784 HG21 ILE 17 HG21 ILE 17 -7.372 0.951 -6.503 785 HG22 ILE 17 HG22 ILE 17 -8.703 0.440 -7.554 786 HG23 ILE 17 HG23 ILE 17 -7.883 -0.741 -6.502 787 HD11 ILE 17 HD11 ILE 17 -8.805 -0.500 -2.246 788 HD12 ILE 17 HD12 ILE 17 -10.034 -0.978 -3.435 789 HD13 ILE 17 HD13 ILE 17 -9.994 0.688 -2.785 790 HA PRO 18 HA PRO 18 -10.515 4.125 -9.140 791 HB2 PRO 18 HB2 PRO 18 -7.993 4.331 -10.315 792 HB3 PRO 18 HB1 PRO 18 -8.769 5.599 -9.364 793 HG2 PRO 18 HG2 PRO 18 -6.706 3.614 -8.541 794 HG3 PRO 18 HG1 PRO 18 -6.892 5.308 -8.055 795 HD2 PRO 18 HD2 PRO 18 -7.588 3.252 -6.468 796 HD3 PRO 18 HD1 PRO 18 -8.485 4.788 -6.455 797 H ALA 19 HN ALA 19 -11.265 2.917 -10.701 798 HA ALA 19 HA ALA 19 -10.715 0.200 -11.046 799 HB1 ALA 19 HB1 ALA 19 -12.825 1.258 -11.726 800 HB2 ALA 19 HB2 ALA 19 -12.108 0.325 -13.040 801 HB3 ALA 19 HB3 ALA 19 -11.978 2.084 -13.036 802 H THR 20 HN THR 20 -9.290 2.992 -12.504 803 HA THR 20 HA THR 20 -7.980 1.941 -14.705 804 HB THR 20 HB THR 20 -6.870 4.029 -12.825 805 HG1 THR 20 HG1 THR 20 -8.686 4.656 -14.918 806 HG21 THR 20 HG21 THR 20 -6.083 5.052 -14.908 807 HG22 THR 20 HG22 THR 20 -6.809 3.737 -15.839 808 HG23 THR 20 HG23 THR 20 -5.465 3.410 -14.736 809 H LEU 21 HN LEU 21 -7.092 1.931 -11.259 810 HA LEU 21 HA LEU 21 -4.468 0.828 -11.701 811 HB2 LEU 21 HB2 LEU 21 -6.059 1.569 -9.298 812 HB3 LEU 21 HB1 LEU 21 -4.673 0.517 -9.119 813 HG LEU 21 HG LEU 21 -4.328 2.880 -8.656 814 HD11 LEU 21 HD11 LEU 21 -2.439 1.370 -9.230 815 HD12 LEU 21 HD12 LEU 21 -2.127 2.983 -9.869 816 HD13 LEU 21 HD13 LEU 21 -2.692 1.702 -10.942 817 HD21 LEU 21 HD21 LEU 21 -3.974 4.427 -10.579 818 HD22 LEU 21 HD22 LEU 21 -5.655 3.879 -10.410 819 HD23 LEU 21 HD23 LEU 21 -4.605 3.139 -11.619 820 H MET 22 HN MET 22 -7.527 -0.205 -10.735 821 HA MET 22 HA MET 22 -7.053 -2.868 -10.004 822 HB2 MET 22 HB2 MET 22 -9.347 -1.752 -11.614 823 HB3 MET 22 HB1 MET 22 -9.335 -3.380 -10.971 824 HG2 MET 22 HG2 MET 22 -9.134 -0.893 -9.290 825 HG3 MET 22 HG1 MET 22 -10.642 -1.730 -9.658 826 HE1 MET 22 HE1 MET 22 -10.239 -5.146 -7.977 827 HE2 MET 22 HE2 MET 22 -9.811 -4.710 -9.634 828 HE3 MET 22 HE3 MET 22 -11.280 -4.060 -8.912 829 H GLN 23 HN GLN 23 -7.673 -1.578 -13.112 830 HA GLN 23 HA GLN 23 -7.074 -3.892 -14.629 831 HB2 GLN 23 HB2 GLN 23 -6.967 -0.995 -15.389 832 HB3 GLN 23 HB1 GLN 23 -6.914 -2.358 -16.502 833 HG2 GLN 23 HG2 GLN 23 -9.081 -3.053 -15.754 834 HG3 GLN 23 HG1 GLN 23 -9.157 -1.718 -14.617 835 HE21 GLN 23 HE21 GLN 23 -10.939 -2.297 -16.802 836 HE22 GLN 23 HE22 GLN 23 -10.925 -0.934 -17.857 837 H ALA 24 HN ALA 24 -5.139 -1.290 -13.372 838 HA ALA 24 HA ALA 24 -2.888 -1.721 -15.115 839 HB1 ALA 24 HB1 ALA 24 -3.292 0.455 -14.004 840 HB2 ALA 24 HB2 ALA 24 -1.661 -0.157 -13.741 841 HB3 ALA 24 HB3 ALA 24 -2.865 -0.289 -12.459 842 H LEU 25 HN LEU 25 -3.736 -2.840 -11.975 843 HA LEU 25 HA LEU 25 -1.189 -4.237 -11.633 844 HB2 LEU 25 HB2 LEU 25 -3.579 -4.009 -9.850 845 HB3 LEU 25 HB1 LEU 25 -2.047 -4.749 -9.417 846 HG LEU 25 HG LEU 25 -2.401 -1.850 -10.155 847 HD11 LEU 25 HD11 LEU 25 -2.070 -1.470 -7.761 848 HD12 LEU 25 HD12 LEU 25 -2.184 -3.231 -7.521 849 HD13 LEU 25 HD13 LEU 25 -3.563 -2.335 -8.148 850 HD21 LEU 25 HD21 LEU 25 -0.152 -1.621 -9.202 851 HD22 LEU 25 HD22 LEU 25 -0.160 -2.699 -10.598 852 HD23 LEU 25 HD23 LEU 25 -0.092 -3.366 -8.965 853 H ASN 26 HN ASN 26 -4.290 -4.712 -12.749 854 HA ASN 26 HA ASN 26 -5.515 -6.332 -13.535 855 HB2 ASN 26 HB2 ASN 26 -3.487 -7.053 -14.776 856 HB3 ASN 26 HB1 ASN 26 -3.078 -8.134 -13.449 857 HD21 ASN 26 HD21 ASN 26 -3.242 -9.994 -14.732 858 HD22 ASN 26 HD22 ASN 26 -4.764 -10.566 -15.305 859 H LEU 27 HN LEU 27 -6.532 -6.029 -11.426 860 HA LEU 27 HA LEU 27 -6.936 -8.643 -10.334 861 HB2 LEU 27 HB2 LEU 27 -7.443 -7.642 -8.260 862 HB3 LEU 27 HB1 LEU 27 -5.734 -7.452 -8.642 863 HG LEU 27 HG LEU 27 -7.644 -5.197 -9.150 864 HD11 LEU 27 HD11 LEU 27 -7.348 -4.464 -6.882 865 HD12 LEU 27 HD12 LEU 27 -6.383 -5.926 -6.524 866 HD13 LEU 27 HD13 LEU 27 -8.100 -6.064 -6.939 867 HD21 LEU 27 HD21 LEU 27 -5.328 -5.049 -9.880 868 HD22 LEU 27 HD22 LEU 27 -4.785 -5.375 -8.231 869 HD23 LEU 27 HD23 LEU 27 -5.662 -3.888 -8.591 870 H ASN 28 HN ASN 28 -9.070 -8.756 -9.429 871 HA ASN 28 HA ASN 28 -10.998 -7.040 -10.848 872 HB2 ASN 28 HB2 ASN 28 -11.146 -10.050 -10.501 873 HB3 ASN 28 HB1 ASN 28 -12.419 -9.050 -11.179 874 HD21 ASN 28 HD21 ASN 28 -10.401 -7.397 -12.681 875 HD22 ASN 28 HD22 ASN 28 -9.928 -8.390 -13.993 876 H ILE 29 HN ILE 29 -13.319 -7.928 -9.847 877 HA ILE 29 HA ILE 29 -13.188 -7.234 -7.075 878 HB ILE 29 HB ILE 29 -15.505 -8.086 -8.843 879 HG12 ILE 29 HG12 ILE 29 -14.569 -5.863 -9.347 880 HG13 ILE 29 HG11 ILE 29 -16.206 -5.750 -8.719 881 HG21 ILE 29 HG21 ILE 29 -15.967 -8.750 -6.530 882 HG22 ILE 29 HG22 ILE 29 -17.044 -7.485 -7.094 883 HG23 ILE 29 HG23 ILE 29 -15.709 -7.084 -6.005 884 HD11 ILE 29 HD11 ILE 29 -13.654 -5.178 -7.219 885 HD12 ILE 29 HD12 ILE 29 -15.280 -5.121 -6.534 886 HD13 ILE 29 HD13 ILE 29 -14.831 -4.004 -7.820 887 H ASP 30 HN ASP 30 -13.564 -8.493 -5.355 888 HA ASP 30 HA ASP 30 -13.584 -10.223 -3.970 889 HB2 ASP 30 HB2 ASP 30 -15.568 -11.018 -5.362 890 HB3 ASP 30 HB1 ASP 30 -14.442 -12.020 -6.259 891 H ASP 31 HN ASP 31 -11.354 -9.425 -5.579 892 HA ASP 31 HA ASP 31 -9.821 -11.872 -5.837 893 HB2 ASP 31 HB2 ASP 31 -9.886 -10.044 -7.553 894 HB3 ASP 31 HB1 ASP 31 -8.942 -9.046 -6.447 895 H GLU 32 HN GLU 32 -8.304 -12.320 -4.472 896 HA GLU 32 HA GLU 32 -8.359 -11.059 -1.912 897 HB2 GLU 32 HB2 GLU 32 -8.532 -13.404 -2.020 898 HB3 GLU 32 HB1 GLU 32 -7.161 -13.556 -3.086 899 HG2 GLU 32 HG2 GLU 32 -5.744 -12.749 -1.197 900 HG3 GLU 32 HG1 GLU 32 -7.186 -12.833 -0.179 901 H VAL 33 HN VAL 33 -6.868 -9.608 -1.252 902 HA VAL 33 HA VAL 33 -4.274 -9.732 -2.542 903 HB VAL 33 HB VAL 33 -4.050 -7.426 -2.887 904 HG11 VAL 33 HG11 VAL 33 -6.015 -6.526 -3.956 905 HG12 VAL 33 HG12 VAL 33 -6.974 -7.763 -3.146 906 HG13 VAL 33 HG13 VAL 33 -5.781 -8.244 -4.369 907 HG21 VAL 33 HG21 VAL 33 -5.365 -5.640 -1.824 908 HG22 VAL 33 HG22 VAL 33 -4.541 -6.649 -0.634 909 HG23 VAL 33 HG23 VAL 33 -6.266 -6.857 -0.920 910 H LYS 34 HN LYS 34 -2.467 -9.025 -1.147 911 HA LYS 34 HA LYS 34 -3.178 -9.496 1.615 912 HB2 LYS 34 HB2 LYS 34 -0.488 -9.044 0.363 913 HB3 LYS 34 HB1 LYS 34 -0.752 -9.233 2.082 914 HG2 LYS 34 HG2 LYS 34 -1.851 -11.490 1.336 915 HG3 LYS 34 HG1 LYS 34 -0.845 -11.247 -0.096 916 HD2 LYS 34 HD2 LYS 34 0.102 -11.301 2.776 917 HD3 LYS 34 HD1 LYS 34 0.356 -12.545 1.561 918 HE2 LYS 34 HE2 LYS 34 1.811 -11.131 0.296 919 HE3 LYS 34 HE1 LYS 34 1.379 -9.720 1.256 920 HZ1 LYS 34 HZ1 LYS 34 2.531 -10.630 3.140 921 HZ2 LYS 34 HZ2 LYS 34 3.562 -10.651 1.824 922 HZ3 LYS 34 HZ3 LYS 34 2.833 -12.089 2.327 923 H ILE 35 HN ILE 35 -3.600 -7.989 2.954 924 HA ILE 35 HA ILE 35 -2.640 -5.261 2.517 925 HB ILE 35 HB ILE 35 -4.074 -6.296 4.981 926 HG12 ILE 35 HG12 ILE 35 -5.492 -6.993 3.108 927 HG13 ILE 35 HG11 ILE 35 -6.274 -5.746 4.058 928 HG21 ILE 35 HG21 ILE 35 -4.892 -4.023 5.167 929 HG22 ILE 35 HG22 ILE 35 -4.059 -3.615 3.662 930 HG23 ILE 35 HG23 ILE 35 -3.125 -4.113 5.084 931 HD11 ILE 35 HD11 ILE 35 -5.720 -4.102 2.318 932 HD12 ILE 35 HD12 ILE 35 -6.665 -5.460 1.686 933 HD13 ILE 35 HD13 ILE 35 -4.933 -5.380 1.385 934 H ASP 36 HN ASP 36 -0.407 -5.526 2.854 935 HA ASP 36 HA ASP 36 0.396 -7.128 5.194 936 HB2 ASP 36 HB2 ASP 36 1.145 -7.787 2.771 937 HB3 ASP 36 HB1 ASP 36 2.157 -6.400 2.813 938 H LEU 37 HN LEU 37 1.310 -6.042 6.924 939 HA LEU 37 HA LEU 37 1.546 -3.275 6.631 940 HB2 LEU 37 HB2 LEU 37 0.360 -4.578 8.488 941 HB3 LEU 37 HB1 LEU 37 1.984 -5.043 8.969 942 HG LEU 37 HG LEU 37 0.973 -3.234 10.338 943 HD11 LEU 37 HD11 LEU 37 2.996 -1.844 10.411 944 HD12 LEU 37 HD12 LEU 37 3.471 -2.632 8.873 945 HD13 LEU 37 HD13 LEU 37 3.313 -3.595 10.326 946 HD21 LEU 37 HD21 LEU 37 -0.132 -2.154 8.455 947 HD22 LEU 37 HD22 LEU 37 1.436 -1.515 7.927 948 HD23 LEU 37 HD23 LEU 37 0.755 -1.032 9.487 949 H VAL 38 HN VAL 38 3.297 -2.376 6.457 950 HA VAL 38 HA VAL 38 5.885 -3.568 7.157 951 HB VAL 38 HB VAL 38 5.407 -2.380 4.397 952 HG11 VAL 38 HG11 VAL 38 7.909 -3.563 5.582 953 HG12 VAL 38 HG12 VAL 38 7.627 -1.871 5.144 954 HG13 VAL 38 HG13 VAL 38 7.704 -3.104 3.891 955 HG21 VAL 38 HG21 VAL 38 5.986 -5.245 5.146 956 HG22 VAL 38 HG22 VAL 38 5.900 -4.615 3.501 957 HG23 VAL 38 HG23 VAL 38 4.460 -4.625 4.520 958 H ASP 39 HN ASP 39 6.949 -2.133 8.310 959 HA ASP 39 HA ASP 39 7.836 -0.231 9.153 960 HB2 ASP 39 HB2 ASP 39 8.787 -0.209 6.862 961 HB3 ASP 39 HB1 ASP 39 7.464 0.832 6.337 962 H GLY 40 HN GLY 40 4.848 -0.470 9.072 963 HA2 GLY 40 HA2 GLY 40 3.317 0.792 10.300 964 HA3 GLY 40 HA1 GLY 40 4.376 2.182 10.154 965 H LYS 41 HN LYS 41 3.792 0.653 7.147 966 HA LYS 41 HA LYS 41 1.412 2.274 6.768 967 HB2 LYS 41 HB2 LYS 41 2.048 2.781 4.440 968 HB3 LYS 41 HB1 LYS 41 3.161 3.495 5.584 969 HG2 LYS 41 HG2 LYS 41 3.836 0.860 4.358 970 HG3 LYS 41 HG1 LYS 41 3.956 2.299 3.356 971 HD2 LYS 41 HD2 LYS 41 5.364 1.921 6.007 972 HD3 LYS 41 HD1 LYS 41 6.102 1.632 4.431 973 HE2 LYS 41 HE2 LYS 41 5.608 3.992 3.837 974 HE3 LYS 41 HE1 LYS 41 5.051 4.261 5.486 975 HZ1 LYS 41 HZ1 LYS 41 7.780 3.566 4.592 976 HZ2 LYS 41 HZ2 LYS 41 7.344 3.517 6.195 977 HZ3 LYS 41 HZ3 LYS 41 7.279 4.983 5.356 978 H LEU 42 HN LEU 42 0.059 1.508 4.984 979 HA LEU 42 HA LEU 42 0.067 -1.389 5.093 980 HB2 LEU 42 HB2 LEU 42 -2.072 0.541 4.183 981 HB3 LEU 42 HB1 LEU 42 -2.215 -1.201 4.092 982 HG LEU 42 HG LEU 42 -1.639 0.221 6.608 983 HD11 LEU 42 HD11 LEU 42 -4.353 -0.574 5.445 984 HD12 LEU 42 HD12 LEU 42 -3.795 1.081 5.700 985 HD13 LEU 42 HD13 LEU 42 -4.120 0.037 7.083 986 HD21 LEU 42 HD21 LEU 42 -1.205 -2.167 6.606 987 HD22 LEU 42 HD22 LEU 42 -2.857 -2.467 6.049 988 HD23 LEU 42 HD23 LEU 42 -2.579 -1.791 7.646 989 H ILE 43 HN ILE 43 0.746 -2.470 3.642 990 HA ILE 43 HA ILE 43 1.407 -1.271 1.048 991 HB ILE 43 HB ILE 43 2.344 -3.733 2.421 992 HG12 ILE 43 HG12 ILE 43 3.176 -1.846 3.524 993 HG13 ILE 43 HG11 ILE 43 4.507 -2.602 2.634 994 HG21 ILE 43 HG21 ILE 43 2.447 -4.146 0.106 995 HG22 ILE 43 HG22 ILE 43 4.099 -3.908 0.678 996 HG23 ILE 43 HG23 ILE 43 3.278 -2.619 -0.223 997 HD11 ILE 43 HD11 ILE 43 4.641 -0.175 2.518 998 HD12 ILE 43 HD12 ILE 43 3.014 -0.098 1.858 999 HD13 ILE 43 HD13 ILE 43 4.311 -0.859 0.928 1000 H ILE 44 HN ILE 44 0.311 -1.861 -0.629 1001 HA ILE 44 HA ILE 44 -1.461 -4.187 -0.404 1002 HB ILE 44 HB ILE 44 -1.704 -1.800 -2.220 1003 HG12 ILE 44 HG12 ILE 44 -2.151 -1.122 0.070 1004 HG13 ILE 44 HG11 ILE 44 -3.655 -1.133 -0.837 1005 HG21 ILE 44 HG21 ILE 44 -3.967 -2.647 -2.745 1006 HG22 ILE 44 HG22 ILE 44 -3.636 -4.081 -1.774 1007 HG23 ILE 44 HG23 ILE 44 -2.696 -3.769 -3.233 1008 HD11 ILE 44 HD11 ILE 44 -2.732 -3.230 1.116 1009 HD12 ILE 44 HD12 ILE 44 -4.231 -3.288 0.188 1010 HD13 ILE 44 HD13 ILE 44 -3.985 -2.017 1.386 1011 H GLU 45 HN GLU 45 -0.425 -5.795 -1.227 1012 HA GLU 45 HA GLU 45 0.661 -5.628 -3.958 1013 HB2 GLU 45 HB2 GLU 45 2.421 -6.156 -2.276 1014 HB3 GLU 45 HB1 GLU 45 1.427 -7.453 -1.625 1015 HG2 GLU 45 HG2 GLU 45 3.109 -8.469 -2.872 1016 HG3 GLU 45 HG1 GLU 45 1.693 -8.570 -3.892 1017 HA PRO 46 HA PRO 46 -2.856 -8.210 -4.213 1018 HB2 PRO 46 HB2 PRO 46 -2.393 -9.003 -6.922 1019 HB3 PRO 46 HB1 PRO 46 -3.488 -7.754 -6.324 1020 HG2 PRO 46 HG2 PRO 46 -1.252 -7.394 -7.758 1021 HG3 PRO 46 HG1 PRO 46 -2.019 -6.097 -6.792 1022 HD2 PRO 46 HD2 PRO 46 0.306 -7.873 -6.189 1023 HD3 PRO 46 HD1 PRO 46 0.193 -6.195 -5.709 1024 H VAL 47 HN VAL 47 -3.345 -10.477 -4.821 1025 HA VAL 47 HA VAL 47 -0.984 -12.095 -4.144 1026 HB VAL 47 HB VAL 47 -3.851 -13.114 -4.169 1027 HG11 VAL 47 HG11 VAL 47 -2.113 -14.834 -4.450 1028 HG12 VAL 47 HG12 VAL 47 -2.958 -14.964 -2.888 1029 HG13 VAL 47 HG13 VAL 47 -1.356 -14.214 -2.965 1030 HG21 VAL 47 HG21 VAL 47 -3.740 -11.539 -2.423 1031 HG22 VAL 47 HG22 VAL 47 -2.165 -12.161 -1.884 1032 HG23 VAL 47 HG23 VAL 47 -3.615 -13.136 -1.678 1033 H ARG 48 HN ARG 48 0.009 -12.921 -5.706 1034 HA ARG 48 HA ARG 48 -1.262 -12.823 -8.291 1035 HB2 ARG 48 HB2 ARG 48 1.610 -13.378 -7.615 1036 HB3 ARG 48 HB1 ARG 48 0.963 -12.993 -9.204 1037 HG2 ARG 48 HG2 ARG 48 0.241 -10.794 -8.361 1038 HG3 ARG 48 HG1 ARG 48 0.973 -11.175 -6.808 1039 HD2 ARG 48 HD2 ARG 48 3.144 -11.445 -8.002 1040 HD3 ARG 48 HD1 ARG 48 2.331 -10.849 -9.456 1041 HE ARG 48 HE ARG 48 2.246 -9.234 -7.028 1042 HH11 ARG 48 HH11 ARG 48 3.484 -9.591 -10.322 1043 HH12 ARG 48 HH12 ARG 48 4.043 -7.983 -10.404 1044 HH21 ARG 48 HH21 ARG 48 2.982 -7.070 -7.188 1045 HH22 ARG 48 HH22 ARG 48 3.717 -6.516 -8.623 1046 H LYS 49 HN LYS 49 -1.620 -14.498 -9.532 1047 HA LYS 49 HA LYS 49 -1.900 -16.954 -8.099 1048 HB2 LYS 49 HB2 LYS 49 -3.001 -15.982 -10.721 1049 HB3 LYS 49 HB1 LYS 49 -3.173 -17.644 -10.204 1050 HG2 LYS 49 HG2 LYS 49 -5.198 -16.374 -9.719 1051 HG3 LYS 49 HG1 LYS 49 -4.430 -16.889 -8.220 1052 HD2 LYS 49 HD2 LYS 49 -3.485 -14.706 -7.910 1053 HD3 LYS 49 HD1 LYS 49 -4.100 -14.165 -9.458 1054 HE2 LYS 49 HE2 LYS 49 -6.410 -14.484 -8.585 1055 HE3 LYS 49 HE1 LYS 49 -5.719 -15.005 -7.048 1056 HZ1 LYS 49 HZ1 LYS 49 -5.451 -12.317 -8.275 1057 HZ2 LYS 49 HZ2 LYS 49 -4.652 -12.794 -6.896 1058 HZ3 LYS 49 HZ3 LYS 49 -6.342 -12.675 -6.894 1059 H GLU 50 HN GLU 50 -0.167 -17.849 -7.974 1060 HA GLU 50 HA GLU 50 1.005 -19.118 -10.346 1061 HB2 GLU 50 HB2 GLU 50 2.506 -17.226 -9.611 1062 HB3 GLU 50 HB1 GLU 50 2.606 -17.982 -8.034 1063 HG2 GLU 50 HG2 GLU 50 3.623 -19.978 -9.111 1064 HG3 GLU 50 HG1 GLU 50 3.645 -19.085 -10.631
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