NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
549356 | 2lqo | 18322 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 10.886 11.969 8.224 2 H2 MET 1 HT2 MET 1 9.782 10.994 7.448 3 H3 MET 1 HT3 MET 1 11.436 10.811 7.156 4 HA MET 1 HA MET 1 11.819 10.154 9.438 5 HB2 MET 1 HB2 MET 1 8.799 10.169 9.624 6 HB3 MET 1 HB1 MET 1 9.877 9.491 10.831 7 HG2 MET 1 HG2 MET 1 10.828 11.755 11.166 8 HG3 MET 1 HG1 MET 1 9.625 12.375 10.038 9 HE1 MET 1 HE1 MET 1 6.995 12.390 10.535 10 HE2 MET 1 HE2 MET 1 6.266 11.708 11.989 11 HE3 MET 1 HE3 MET 1 7.018 10.647 10.799 12 H VAL 2 HN VAL 2 9.759 9.211 6.797 13 HA VAL 2 HA VAL 2 9.078 7.362 5.905 14 HB VAL 2 HB VAL 2 10.708 5.606 5.381 15 HG11 VAL 2 HG11 VAL 2 11.780 8.391 5.152 16 HG12 VAL 2 HG12 VAL 2 10.702 7.559 4.030 17 HG13 VAL 2 HG13 VAL 2 12.365 7.006 4.233 18 HG21 VAL 2 HG21 VAL 2 13.052 5.747 6.161 19 HG22 VAL 2 HG22 VAL 2 11.938 5.412 7.484 20 HG23 VAL 2 HG23 VAL 2 12.590 7.036 7.273 21 H THR 3 HN THR 3 8.546 7.494 8.787 22 HA THR 3 HA THR 3 8.374 4.755 9.592 23 HB THR 3 HB THR 3 8.546 6.423 11.368 24 HG1 THR 3 HG1 THR 3 6.422 5.981 12.465 25 HG21 THR 3 HG21 THR 3 6.736 8.043 11.847 26 HG22 THR 3 HG22 THR 3 5.939 7.569 10.344 27 HG23 THR 3 HG23 THR 3 7.522 8.349 10.302 28 H ALA 4 HN ALA 4 6.350 7.106 8.029 29 HA ALA 4 HA ALA 4 4.301 5.088 7.636 30 HB1 ALA 4 HB1 ALA 4 3.014 6.899 6.547 31 HB2 ALA 4 HB2 ALA 4 4.376 7.993 6.769 32 HB3 ALA 4 HB3 ALA 4 3.512 7.368 8.173 33 H ALA 5 HN ALA 5 5.696 3.782 6.515 34 HA ALA 5 HA ALA 5 7.128 4.522 4.194 35 HB1 ALA 5 HB1 ALA 5 7.364 2.080 3.860 36 HB2 ALA 5 HB2 ALA 5 6.191 1.815 5.151 37 HB3 ALA 5 HB3 ALA 5 7.738 2.576 5.508 38 H LEU 6 HN LEU 6 4.125 2.683 4.614 39 HA LEU 6 HA LEU 6 2.980 3.951 2.343 40 HB2 LEU 6 HB2 LEU 6 2.353 1.910 1.155 41 HB3 LEU 6 HB1 LEU 6 4.086 2.078 1.221 42 HG LEU 6 HG LEU 6 2.629 0.262 3.141 43 HD11 LEU 6 HD11 LEU 6 3.181 -1.566 1.567 44 HD12 LEU 6 HD12 LEU 6 3.640 -0.332 0.375 45 HD13 LEU 6 HD13 LEU 6 1.977 -0.440 0.942 46 HD21 LEU 6 HD21 LEU 6 4.952 0.808 3.658 47 HD22 LEU 6 HD22 LEU 6 5.436 0.296 2.043 48 HD23 LEU 6 HD23 LEU 6 4.794 -0.885 3.187 49 H THR 7 HN THR 7 0.896 4.126 2.573 50 HA THR 7 HA THR 7 -0.349 2.911 4.921 51 HB THR 7 HB THR 7 -1.433 5.093 3.169 52 HG1 THR 7 HG1 THR 7 0.048 5.414 5.604 53 HG21 THR 7 HG21 THR 7 -2.709 5.686 5.205 54 HG22 THR 7 HG22 THR 7 -1.958 4.331 6.050 55 HG23 THR 7 HG23 THR 7 -3.032 4.031 4.684 56 H ILE 8 HN ILE 8 -1.658 1.298 4.560 57 HA ILE 8 HA ILE 8 -2.587 0.632 1.900 58 HB ILE 8 HB ILE 8 -2.678 -0.838 4.533 59 HG12 ILE 8 HG12 ILE 8 -1.406 -1.567 1.910 60 HG13 ILE 8 HG11 ILE 8 -0.520 -0.866 3.282 61 HG21 ILE 8 HG21 ILE 8 -3.722 -2.724 3.369 62 HG22 ILE 8 HG22 ILE 8 -3.939 -1.700 1.938 63 HG23 ILE 8 HG23 ILE 8 -4.739 -1.285 3.464 64 HD11 ILE 8 HD11 ILE 8 -1.113 -2.876 4.564 65 HD12 ILE 8 HD12 ILE 8 -0.187 -3.248 3.109 66 HD13 ILE 8 HD13 ILE 8 -1.928 -3.524 3.140 67 H TYR 9 HN TYR 9 -4.360 1.334 1.179 68 HA TYR 9 HA TYR 9 -6.597 1.887 2.976 69 HB2 TYR 9 HB2 TYR 9 -6.081 2.641 0.094 70 HB3 TYR 9 HB1 TYR 9 -7.572 2.992 0.945 71 HD1 TYR 9 HD1 TYR 9 -6.769 4.097 3.462 72 HD2 TYR 9 HD2 TYR 9 -4.933 4.569 -0.338 73 HE1 TYR 9 HE1 TYR 9 -5.888 6.267 4.175 74 HE2 TYR 9 HE2 TYR 9 -4.035 6.737 0.356 75 HH TYR 9 HH TYR 9 -4.765 8.524 2.056 76 H THR 10 HN THR 10 -8.013 0.275 3.180 77 HA THR 10 HA THR 10 -8.966 -1.143 0.893 78 HB THR 10 HB THR 10 -6.895 -2.469 1.399 79 HG1 THR 10 HG1 THR 10 -9.114 -4.015 2.238 80 HG21 THR 10 HG21 THR 10 -6.745 -1.998 3.811 81 HG22 THR 10 HG22 THR 10 -6.723 -3.731 3.490 82 HG23 THR 10 HG23 THR 10 -8.196 -2.961 4.084 83 H THR 11 HN THR 11 -10.729 -2.646 1.578 84 HA THR 11 HA THR 11 -12.005 -1.866 4.068 85 HB THR 11 HB THR 11 -13.851 -3.313 2.991 86 HG1 THR 11 HG1 THR 11 -13.612 -3.426 0.652 87 HG21 THR 11 HG21 THR 11 -13.006 -0.768 1.609 88 HG22 THR 11 HG22 THR 11 -13.983 -0.867 3.073 89 HG23 THR 11 HG23 THR 11 -14.616 -1.483 1.546 90 H SER 12 HN SER 12 -12.823 -3.643 5.376 91 HA SER 12 HA SER 12 -10.960 -5.751 5.707 92 HB2 SER 12 HB2 SER 12 -12.352 -4.651 7.531 93 HB3 SER 12 HB1 SER 12 -13.747 -5.494 6.878 94 HG SER 12 HG SER 12 -11.436 -6.562 8.072 95 H TRP 13 HN TRP 13 -13.983 -5.319 4.064 96 HA TRP 13 HA TRP 13 -14.358 -8.147 3.604 97 HB2 TRP 13 HB2 TRP 13 -16.461 -7.456 2.459 98 HB3 TRP 13 HB1 TRP 13 -16.356 -6.952 4.138 99 HD1 TRP 13 HD1 TRP 13 -16.070 -4.292 4.585 100 HE1 TRP 13 HE1 TRP 13 -16.722 -2.253 3.140 101 HE3 TRP 13 HE3 TRP 13 -16.624 -6.611 0.054 102 HZ2 TRP 13 HZ2 TRP 13 -17.376 -1.706 0.484 103 HZ3 TRP 13 HZ3 TRP 13 -17.273 -5.245 -1.885 104 HH2 TRP 13 HH2 TRP 13 -17.642 -2.836 -1.665 105 H CYS 14 HN CYS 14 -12.205 -6.338 2.273 106 HA CYS 14 HA CYS 14 -12.825 -6.715 -0.516 107 HB2 CYS 14 HB2 CYS 14 -11.373 -4.816 0.209 108 HB3 CYS 14 HB1 CYS 14 -10.190 -5.959 0.814 109 HG CYS 14 HG CYS 14 -10.821 -4.998 -2.360 110 H GLY 15 HN GLY 15 -11.557 -8.186 -1.899 111 HA2 GLY 15 HA2 GLY 15 -11.132 -10.703 -0.565 112 HA3 GLY 15 HA1 GLY 15 -11.042 -10.398 -2.296 113 H TYR 16 HN TYR 16 -9.213 -8.244 -2.123 114 HA TYR 16 HA TYR 16 -6.839 -9.861 -2.035 115 HB2 TYR 16 HB2 TYR 16 -7.300 -7.075 -2.948 116 HB3 TYR 16 HB1 TYR 16 -5.695 -7.797 -2.888 117 HD1 TYR 16 HD2 TYR 16 -5.808 -10.343 -4.018 118 HD2 TYR 16 HD1 TYR 16 -8.218 -6.987 -5.047 119 HE1 TYR 16 HE2 TYR 16 -6.194 -11.304 -6.250 120 HE2 TYR 16 HE1 TYR 16 -8.617 -7.942 -7.270 121 HH TYR 16 HH TYR 16 -7.559 -9.474 -8.777 122 H CYS 17 HN CYS 17 -8.289 -8.017 0.333 123 HA CYS 17 HA CYS 17 -6.161 -6.507 1.312 124 HB2 CYS 17 HB2 CYS 17 -7.385 -6.518 3.504 125 HB3 CYS 17 HB1 CYS 17 -8.372 -6.049 2.127 126 HG CYS 17 HG CYS 17 -9.954 -7.565 3.871 127 H LEU 18 HN LEU 18 -7.262 -9.635 2.615 128 HA LEU 18 HA LEU 18 -4.962 -9.971 4.247 129 HB2 LEU 18 HB2 LEU 18 -5.777 -12.133 4.840 130 HB3 LEU 18 HB1 LEU 18 -7.149 -11.062 4.730 131 HG LEU 18 HG LEU 18 -6.384 -13.105 2.627 132 HD11 LEU 18 HD11 LEU 18 -8.285 -14.384 3.446 133 HD12 LEU 18 HD12 LEU 18 -8.513 -13.211 4.745 134 HD13 LEU 18 HD13 LEU 18 -7.042 -14.184 4.680 135 HD21 LEU 18 HD21 LEU 18 -8.892 -11.440 2.941 136 HD22 LEU 18 HD22 LEU 18 -8.645 -12.720 1.752 137 HD23 LEU 18 HD23 LEU 18 -7.660 -11.261 1.686 138 H ARG 19 HN ARG 19 -5.533 -10.612 0.960 139 HA ARG 19 HA ARG 19 -3.682 -12.733 0.553 140 HB2 ARG 19 HB2 ARG 19 -4.417 -10.606 -1.469 141 HB3 ARG 19 HB1 ARG 19 -3.797 -12.209 -1.810 142 HG2 ARG 19 HG2 ARG 19 -6.506 -11.548 -0.672 143 HG3 ARG 19 HG1 ARG 19 -6.162 -12.049 -2.323 144 HD2 ARG 19 HD2 ARG 19 -5.403 -14.213 -1.509 145 HD3 ARG 19 HD1 ARG 19 -5.692 -13.693 0.154 146 HE ARG 19 HE ARG 19 -8.026 -13.381 -1.396 147 HH11 ARG 19 HH11 ARG 19 -6.101 -15.916 0.166 148 HH12 ARG 19 HH12 ARG 19 -7.417 -16.975 0.380 149 HH21 ARG 19 HH21 ARG 19 -9.806 -14.846 -1.158 150 HH22 ARG 19 HH22 ARG 19 -9.594 -16.361 -0.442 151 H LEU 20 HN LEU 20 -3.583 -9.252 0.101 152 HA LEU 20 HA LEU 20 -0.892 -9.088 -0.651 153 HB2 LEU 20 HB2 LEU 20 -2.521 -7.478 -1.367 154 HB3 LEU 20 HB1 LEU 20 -2.884 -7.051 0.285 155 HG LEU 20 HG LEU 20 -0.773 -6.008 0.552 156 HD11 LEU 20 HD11 LEU 20 0.652 -7.380 -0.891 157 HD12 LEU 20 HD12 LEU 20 0.775 -5.693 -1.378 158 HD13 LEU 20 HD13 LEU 20 -0.215 -6.809 -2.317 159 HD21 LEU 20 HD21 LEU 20 -1.033 -4.172 -1.058 160 HD22 LEU 20 HD22 LEU 20 -2.547 -4.652 -0.285 161 HD23 LEU 20 HD23 LEU 20 -2.201 -5.151 -1.945 162 H LYS 21 HN LYS 21 -2.537 -8.753 2.446 163 HA LYS 21 HA LYS 21 -0.529 -7.619 4.041 164 HB2 LYS 21 HB2 LYS 21 -2.430 -9.825 4.830 165 HB3 LYS 21 HB1 LYS 21 -1.523 -8.821 5.943 166 HG2 LYS 21 HG2 LYS 21 -3.579 -7.809 4.012 167 HG3 LYS 21 HG1 LYS 21 -3.900 -8.216 5.694 168 HD2 LYS 21 HD2 LYS 21 -2.345 -6.487 6.417 169 HD3 LYS 21 HD1 LYS 21 -1.969 -6.111 4.729 170 HE2 LYS 21 HE2 LYS 21 -4.125 -5.367 4.292 171 HE3 LYS 21 HE1 LYS 21 -4.760 -6.040 5.804 172 HZ1 LYS 21 HZ1 LYS 21 -3.458 -4.382 6.984 173 HZ2 LYS 21 HZ2 LYS 21 -4.589 -3.739 5.972 174 HZ3 LYS 21 HZ3 LYS 21 -2.938 -3.707 5.509 175 H THR 22 HN THR 22 -1.096 -10.972 3.205 176 HA THR 22 HA THR 22 0.938 -12.082 4.773 177 HB THR 22 HB THR 22 -0.272 -13.216 2.247 178 HG1 THR 22 HG1 THR 22 -2.075 -12.930 3.405 179 HG21 THR 22 HG21 THR 22 0.132 -15.369 3.367 180 HG22 THR 22 HG22 THR 22 0.799 -14.521 4.761 181 HG23 THR 22 HG23 THR 22 1.640 -14.463 3.212 182 H ALA 23 HN ALA 23 0.829 -10.968 1.413 183 HA ALA 23 HA ALA 23 3.366 -11.920 0.643 184 HB1 ALA 23 HB1 ALA 23 3.146 -10.404 -1.266 185 HB2 ALA 23 HB2 ALA 23 1.810 -9.576 -0.469 186 HB3 ALA 23 HB3 ALA 23 1.630 -11.257 -0.970 187 H LEU 24 HN LEU 24 2.280 -8.848 2.006 188 HA LEU 24 HA LEU 24 4.851 -7.610 1.906 189 HB2 LEU 24 HB2 LEU 24 2.552 -6.982 3.745 190 HB3 LEU 24 HB1 LEU 24 3.941 -5.964 3.490 191 HG LEU 24 HG LEU 24 1.720 -6.544 1.540 192 HD11 LEU 24 HD11 LEU 24 1.119 -4.977 3.271 193 HD12 LEU 24 HD12 LEU 24 1.403 -4.050 1.776 194 HD13 LEU 24 HD13 LEU 24 2.617 -4.100 3.031 195 HD21 LEU 24 HD21 LEU 24 2.801 -4.847 0.099 196 HD22 LEU 24 HD22 LEU 24 3.718 -6.322 0.200 197 HD23 LEU 24 HD23 LEU 24 4.221 -4.893 1.131 198 H THR 25 HN THR 25 3.150 -9.368 4.416 199 HA THR 25 HA THR 25 5.019 -8.975 6.447 200 HB THR 25 HB THR 25 3.133 -11.314 6.027 201 HG1 THR 25 HG1 THR 25 1.891 -9.515 6.118 202 HG21 THR 25 HG21 THR 25 3.235 -11.562 8.475 203 HG22 THR 25 HG22 THR 25 4.404 -10.248 8.566 204 HG23 THR 25 HG23 THR 25 4.838 -11.760 7.765 205 H ALA 26 HN ALA 26 4.841 -11.446 3.909 206 HA ALA 26 HA ALA 26 6.964 -13.052 4.865 207 HB1 ALA 26 HB1 ALA 26 6.913 -14.095 2.672 208 HB2 ALA 26 HB2 ALA 26 5.934 -12.770 2.047 209 HB3 ALA 26 HB3 ALA 26 5.274 -13.850 3.275 210 H ASN 27 HN ASN 27 6.950 -10.027 3.358 211 HA ASN 27 HA ASN 27 9.777 -10.303 2.639 212 HB2 ASN 27 HB2 ASN 27 7.631 -8.521 1.521 213 HB3 ASN 27 HB1 ASN 27 9.341 -8.157 1.305 214 HD21 ASN 27 HD21 ASN 27 6.738 -10.361 0.482 215 HD22 ASN 27 HD22 ASN 27 7.587 -11.160 -0.784 216 H ARG 28 HN ARG 28 8.112 -9.569 5.145 217 HA ARG 28 HA ARG 28 8.269 -8.336 6.981 218 HB2 ARG 28 HB2 ARG 28 11.125 -8.022 6.052 219 HB3 ARG 28 HB1 ARG 28 10.553 -7.604 7.660 220 HG2 ARG 28 HG2 ARG 28 9.869 -9.976 7.965 221 HG3 ARG 28 HG1 ARG 28 10.611 -10.340 6.407 222 HD2 ARG 28 HD2 ARG 28 12.766 -9.510 7.263 223 HD3 ARG 28 HD1 ARG 28 12.007 -9.190 8.816 224 HE ARG 28 HE ARG 28 11.676 -11.880 7.951 225 HH11 ARG 28 HH11 ARG 28 13.920 -9.686 9.569 226 HH12 ARG 28 HH12 ARG 28 14.748 -10.892 10.439 227 HH21 ARG 28 HH21 ARG 28 12.780 -13.569 9.133 228 HH22 ARG 28 HH22 ARG 28 14.070 -13.202 10.183 229 H ILE 29 HN ILE 29 7.300 -6.934 4.724 230 HA ILE 29 HA ILE 29 8.508 -4.329 4.658 231 HB ILE 29 HB ILE 29 5.836 -5.225 3.529 232 HG12 ILE 29 HG12 ILE 29 8.472 -4.910 2.062 233 HG13 ILE 29 HG11 ILE 29 7.899 -6.461 2.685 234 HG21 ILE 29 HG21 ILE 29 6.009 -3.210 2.122 235 HG22 ILE 29 HG22 ILE 29 7.552 -2.816 2.890 236 HG23 ILE 29 HG23 ILE 29 6.079 -2.773 3.838 237 HD11 ILE 29 HD11 ILE 29 5.942 -6.183 1.200 238 HD12 ILE 29 HD12 ILE 29 7.494 -6.306 0.394 239 HD13 ILE 29 HD13 ILE 29 6.708 -4.725 0.548 240 H ALA 30 HN ALA 30 8.068 -2.667 5.901 241 HA ALA 30 HA ALA 30 6.167 -2.869 8.062 242 HB1 ALA 30 HB1 ALA 30 8.093 -0.743 7.209 243 HB2 ALA 30 HB2 ALA 30 8.400 -1.973 8.441 244 HB3 ALA 30 HB3 ALA 30 7.185 -0.711 8.719 245 H TYR 31 HN TYR 31 4.129 -2.077 7.889 246 HA TYR 31 HA TYR 31 3.677 0.141 6.055 247 HB2 TYR 31 HB2 TYR 31 1.686 -0.943 5.089 248 HB3 TYR 31 HB1 TYR 31 3.172 -1.795 4.705 249 HD1 TYR 31 HD2 TYR 31 3.615 -4.004 5.695 250 HD2 TYR 31 HD1 TYR 31 -0.043 -1.969 6.434 251 HE1 TYR 31 HE2 TYR 31 2.600 -6.115 6.453 252 HE2 TYR 31 HE1 TYR 31 -1.073 -4.080 7.186 253 HH TYR 31 HH TYR 31 0.725 -6.837 7.894 254 H ASP 32 HN ASP 32 1.532 1.083 6.262 255 HA ASP 32 HA ASP 32 0.388 0.825 8.955 256 HB2 ASP 32 HB2 ASP 32 1.560 2.981 8.750 257 HB3 ASP 32 HB1 ASP 32 0.756 3.299 7.221 258 H GLU 33 HN GLU 33 -1.907 0.770 8.965 259 HA GLU 33 HA GLU 33 -3.165 0.831 6.307 260 HB2 GLU 33 HB2 GLU 33 -4.542 -1.082 6.960 261 HB3 GLU 33 HB1 GLU 33 -2.835 -1.493 6.801 262 HG2 GLU 33 HG2 GLU 33 -2.591 -1.646 9.151 263 HG3 GLU 33 HG1 GLU 33 -4.165 -0.896 9.431 264 H VAL 34 HN VAL 34 -5.176 1.677 6.243 265 HA VAL 34 HA VAL 34 -6.601 1.976 8.702 266 HB VAL 34 HB VAL 34 -5.502 4.166 8.403 267 HG11 VAL 34 HG11 VAL 34 -6.904 4.342 5.760 268 HG12 VAL 34 HG12 VAL 34 -5.161 4.165 6.018 269 HG13 VAL 34 HG13 VAL 34 -5.989 5.632 6.536 270 HG21 VAL 34 HG21 VAL 34 -7.685 4.187 9.427 271 HG22 VAL 34 HG22 VAL 34 -8.448 4.257 7.837 272 HG23 VAL 34 HG23 VAL 34 -7.489 5.618 8.407 273 H ASP 35 HN ASP 35 -8.839 1.780 8.421 274 HA ASP 35 HA ASP 35 -9.547 0.425 5.985 275 HB2 ASP 35 HB2 ASP 35 -10.454 -0.316 8.150 276 HB3 ASP 35 HB1 ASP 35 -11.250 1.240 8.349 277 H ILE 36 HN ILE 36 -10.928 1.134 4.425 278 HA ILE 36 HA ILE 36 -10.866 3.996 4.162 279 HB ILE 36 HB ILE 36 -11.526 3.765 1.868 280 HG12 ILE 36 HG12 ILE 36 -11.694 0.789 2.373 281 HG13 ILE 36 HG11 ILE 36 -13.100 1.831 2.179 282 HG21 ILE 36 HG21 ILE 36 -9.614 2.260 1.177 283 HG22 ILE 36 HG22 ILE 36 -9.420 1.901 2.887 284 HG23 ILE 36 HG23 ILE 36 -9.235 3.557 2.309 285 HD11 ILE 36 HD11 ILE 36 -12.360 2.369 -0.094 286 HD12 ILE 36 HD12 ILE 36 -12.617 0.640 0.117 287 HD13 ILE 36 HD13 ILE 36 -10.976 1.295 0.105 288 H GLU 37 HN GLU 37 -13.372 1.741 4.978 289 HA GLU 37 HA GLU 37 -15.223 3.740 4.107 290 HB2 GLU 37 HB2 GLU 37 -17.028 2.151 4.952 291 HB3 GLU 37 HB1 GLU 37 -16.114 1.695 3.528 292 HG2 GLU 37 HG2 GLU 37 -14.721 0.246 4.980 293 HG3 GLU 37 HG1 GLU 37 -15.802 0.634 6.317 294 H HIS 38 HN HIS 38 -13.525 3.085 6.805 295 HA HIS 38 HA HIS 38 -15.303 4.561 8.542 296 HB2 HIS 38 HB2 HIS 38 -13.713 2.910 9.502 297 HB3 HIS 38 HB1 HIS 38 -12.368 3.877 8.906 298 HD1 HIS 38 HD1 HIS 38 -11.616 5.851 10.375 299 HD2 HIS 38 HD2 HIS 38 -15.175 4.102 11.637 300 HE1 HIS 38 HE1 HIS 38 -12.138 6.869 12.613 301 H ASN 39 HN ASN 39 -12.237 5.140 6.846 302 HA ASN 39 HA ASN 39 -12.457 7.969 7.408 303 HB2 ASN 39 HB2 ASN 39 -10.261 6.323 6.149 304 HB3 ASN 39 HB1 ASN 39 -10.241 8.082 6.151 305 HD21 ASN 39 HD21 ASN 39 -8.373 8.056 7.333 306 HD22 ASN 39 HD22 ASN 39 -8.369 7.637 9.018 307 H ARG 40 HN ARG 40 -13.990 8.796 6.222 308 HA ARG 40 HA ARG 40 -14.787 8.065 3.661 309 HB2 ARG 40 HB2 ARG 40 -16.127 9.362 5.283 310 HB3 ARG 40 HB1 ARG 40 -15.098 10.750 4.989 311 HG2 ARG 40 HG2 ARG 40 -15.821 10.809 2.663 312 HG3 ARG 40 HG1 ARG 40 -16.841 9.395 2.945 313 HD2 ARG 40 HD2 ARG 40 -17.088 12.080 4.289 314 HD3 ARG 40 HD1 ARG 40 -18.160 11.443 3.045 315 HE ARG 40 HE ARG 40 -18.373 9.554 4.873 316 HH11 ARG 40 HH11 ARG 40 -18.440 13.077 5.310 317 HH12 ARG 40 HH12 ARG 40 -19.500 13.050 6.631 318 HH21 ARG 40 HH21 ARG 40 -19.810 9.505 6.725 319 HH22 ARG 40 HH22 ARG 40 -20.311 10.957 7.463 320 H ALA 41 HN ALA 41 -12.469 10.527 4.667 321 HA ALA 41 HA ALA 41 -12.094 11.655 2.076 322 HB1 ALA 41 HB1 ALA 41 -11.445 12.874 4.105 323 HB2 ALA 41 HB2 ALA 41 -10.068 12.663 3.017 324 HB3 ALA 41 HB3 ALA 41 -10.223 11.647 4.442 325 H ALA 42 HN ALA 42 -10.653 8.994 3.802 326 HA ALA 42 HA ALA 42 -8.560 8.573 1.914 327 HB1 ALA 42 HB1 ALA 42 -9.726 6.635 3.912 328 HB2 ALA 42 HB2 ALA 42 -8.384 7.743 4.217 329 HB3 ALA 42 HB3 ALA 42 -8.209 6.454 3.026 330 H ALA 43 HN ALA 43 -11.747 7.186 2.504 331 HA ALA 43 HA ALA 43 -11.865 5.251 0.513 332 HB1 ALA 43 HB1 ALA 43 -14.079 7.047 1.477 333 HB2 ALA 43 HB2 ALA 43 -13.564 5.545 2.241 334 HB3 ALA 43 HB3 ALA 43 -14.278 5.513 0.627 335 H GLU 44 HN GLU 44 -12.674 8.658 0.378 336 HA GLU 44 HA GLU 44 -13.542 8.742 -2.274 337 HB2 GLU 44 HB2 GLU 44 -13.784 10.504 -0.486 338 HB3 GLU 44 HB1 GLU 44 -12.105 10.932 -0.784 339 HG2 GLU 44 HG2 GLU 44 -13.549 12.420 -1.941 340 HG3 GLU 44 HG1 GLU 44 -12.670 11.429 -3.113 341 H PHE 45 HN PHE 45 -10.388 9.317 -0.814 342 HA PHE 45 HA PHE 45 -8.935 9.948 -3.112 343 HB2 PHE 45 HB2 PHE 45 -8.106 10.393 -0.861 344 HB3 PHE 45 HB1 PHE 45 -8.053 8.673 -0.523 345 HD1 PHE 45 HD2 PHE 45 -6.581 11.293 -2.679 346 HD2 PHE 45 HD1 PHE 45 -6.157 7.414 -0.984 347 HE1 PHE 45 HE2 PHE 45 -4.253 11.207 -3.470 348 HE2 PHE 45 HE1 PHE 45 -3.833 7.327 -1.765 349 HZ PHE 45 HZ PHE 45 -2.878 9.222 -3.013 350 H VAL 46 HN VAL 46 -9.118 6.817 -1.407 351 HA VAL 46 HA VAL 46 -7.635 5.400 -3.358 352 HB VAL 46 HB VAL 46 -7.746 4.491 -1.105 353 HG11 VAL 46 HG11 VAL 46 -9.730 3.483 -0.265 354 HG12 VAL 46 HG12 VAL 46 -10.648 4.110 -1.652 355 HG13 VAL 46 HG13 VAL 46 -9.911 5.231 -0.469 356 HG21 VAL 46 HG21 VAL 46 -7.552 2.965 -2.998 357 HG22 VAL 46 HG22 VAL 46 -9.297 2.628 -2.824 358 HG23 VAL 46 HG23 VAL 46 -8.175 2.231 -1.515 359 H GLY 47 HN GLY 47 -11.085 5.995 -3.060 360 HA2 GLY 47 HA2 GLY 47 -11.888 4.196 -5.075 361 HA3 GLY 47 HA1 GLY 47 -12.784 5.606 -4.526 362 H SER 48 HN SER 48 -10.473 7.350 -5.193 363 HA SER 48 HA SER 48 -11.230 7.886 -7.913 364 HB2 SER 48 HB2 SER 48 -9.130 9.232 -6.199 365 HB3 SER 48 HB1 SER 48 -9.824 9.857 -7.694 366 HG SER 48 HG SER 48 -11.105 9.462 -5.191 367 H VAL 49 HN VAL 49 -8.410 6.628 -6.222 368 HA VAL 49 HA VAL 49 -6.867 6.467 -8.707 369 HB VAL 49 HB VAL 49 -4.972 5.777 -7.275 370 HG11 VAL 49 HG11 VAL 49 -6.438 8.191 -6.287 371 HG12 VAL 49 HG12 VAL 49 -5.326 8.136 -7.669 372 HG13 VAL 49 HG13 VAL 49 -4.723 7.865 -6.024 373 HG21 VAL 49 HG21 VAL 49 -5.163 5.783 -4.856 374 HG22 VAL 49 HG22 VAL 49 -6.308 4.611 -5.545 375 HG23 VAL 49 HG23 VAL 49 -6.871 6.185 -4.990 376 H ASN 50 HN ASN 50 -9.130 4.680 -7.447 377 HA ASN 50 HA ASN 50 -7.851 2.109 -7.470 378 HB2 ASN 50 HB2 ASN 50 -10.260 3.145 -6.431 379 HB3 ASN 50 HB1 ASN 50 -10.736 1.959 -7.638 380 HD21 ASN 50 HD21 ASN 50 -7.888 1.934 -5.566 381 HD22 ASN 50 HD22 ASN 50 -8.355 0.509 -4.717 382 H GLY 51 HN GLY 51 -9.337 0.408 -8.770 383 HA2 GLY 51 HA2 GLY 51 -9.115 1.138 -11.545 384 HA3 GLY 51 HA1 GLY 51 -9.584 -0.440 -10.904 385 H GLY 52 HN GLY 52 -10.695 2.829 -11.405 386 HA2 GLY 52 HA2 GLY 52 -12.750 3.459 -12.355 387 HA3 GLY 52 HA1 GLY 52 -13.330 1.814 -12.123 388 H ASN 53 HN ASN 53 -13.358 1.229 -9.668 389 HA ASN 53 HA ASN 53 -14.443 3.449 -8.106 390 HB2 ASN 53 HB2 ASN 53 -16.446 2.175 -7.500 391 HB3 ASN 53 HB1 ASN 53 -16.387 2.402 -9.246 392 HD21 ASN 53 HD21 ASN 53 -16.041 0.602 -10.560 393 HD22 ASN 53 HD22 ASN 53 -16.165 -1.012 -9.965 394 H ARG 54 HN ARG 54 -14.941 2.627 -5.864 395 HA ARG 54 HA ARG 54 -12.636 1.565 -4.676 396 HB2 ARG 54 HB2 ARG 54 -13.957 1.630 -2.584 397 HB3 ARG 54 HB1 ARG 54 -14.135 3.105 -3.521 398 HG2 ARG 54 HG2 ARG 54 -16.281 2.052 -4.444 399 HG3 ARG 54 HG1 ARG 54 -16.120 0.886 -3.139 400 HD2 ARG 54 HD2 ARG 54 -16.275 3.857 -2.832 401 HD3 ARG 54 HD1 ARG 54 -17.622 2.745 -2.608 402 HE ARG 54 HE ARG 54 -15.992 1.800 -0.793 403 HH11 ARG 54 HH11 ARG 54 -16.520 5.201 -1.623 404 HH12 ARG 54 HH12 ARG 54 -16.340 5.784 -0.051 405 HH21 ARG 54 HH21 ARG 54 -15.776 2.580 1.398 406 HH22 ARG 54 HH22 ARG 54 -15.924 4.254 1.742 407 H THR 55 HN THR 55 -11.978 -0.459 -4.987 408 HA THR 55 HA THR 55 -13.612 -2.571 -3.982 409 HB THR 55 HB THR 55 -14.488 -2.593 -6.232 410 HG1 THR 55 HG1 THR 55 -14.004 -4.667 -6.853 411 HG21 THR 55 HG21 THR 55 -13.063 -2.975 -8.226 412 HG22 THR 55 HG22 THR 55 -11.630 -2.821 -7.205 413 HG23 THR 55 HG23 THR 55 -12.706 -1.444 -7.425 414 H VAL 56 HN VAL 56 -10.553 -1.590 -5.392 415 HA VAL 56 HA VAL 56 -9.373 -3.950 -4.158 416 HB VAL 56 HB VAL 56 -7.414 -3.506 -5.660 417 HG11 VAL 56 HG11 VAL 56 -10.058 -4.183 -6.976 418 HG12 VAL 56 HG12 VAL 56 -9.005 -5.313 -6.132 419 HG13 VAL 56 HG13 VAL 56 -8.475 -4.574 -7.641 420 HG21 VAL 56 HG21 VAL 56 -7.821 -2.242 -7.743 421 HG22 VAL 56 HG22 VAL 56 -7.874 -1.219 -6.305 422 HG23 VAL 56 HG23 VAL 56 -9.372 -1.717 -7.090 423 HA PRO 57 HA PRO 57 -7.174 -1.464 -1.283 424 HB2 PRO 57 HB2 PRO 57 -4.822 -2.895 -1.088 425 HB3 PRO 57 HB1 PRO 57 -6.321 -3.367 -0.286 426 HG2 PRO 57 HG2 PRO 57 -5.142 -4.382 -2.825 427 HG3 PRO 57 HG1 PRO 57 -5.952 -5.270 -1.524 428 HD2 PRO 57 HD2 PRO 57 -7.189 -4.647 -3.834 429 HD3 PRO 57 HD1 PRO 57 -8.061 -4.721 -2.287 430 H THR 58 HN THR 58 -5.532 0.071 -1.217 431 HA THR 58 HA THR 58 -3.824 0.229 -3.552 432 HB THR 58 HB THR 58 -5.440 2.567 -2.483 433 HG1 THR 58 HG1 THR 58 -6.089 0.559 -4.040 434 HG21 THR 58 HG21 THR 58 -4.739 3.688 -4.546 435 HG22 THR 58 HG22 THR 58 -3.720 2.324 -4.964 436 HG23 THR 58 HG23 THR 58 -3.345 3.306 -3.529 437 H VAL 59 HN VAL 59 -1.770 1.158 -2.998 438 HA VAL 59 HA VAL 59 -1.457 1.784 -0.156 439 HB VAL 59 HB VAL 59 0.957 1.237 -0.427 440 HG11 VAL 59 HG11 VAL 59 -0.996 -0.899 -1.199 441 HG12 VAL 59 HG12 VAL 59 -0.410 -0.497 0.437 442 HG13 VAL 59 HG13 VAL 59 0.678 -1.205 -0.750 443 HG21 VAL 59 HG21 VAL 59 0.143 0.306 -3.171 444 HG22 VAL 59 HG22 VAL 59 1.719 0.039 -2.413 445 HG23 VAL 59 HG23 VAL 59 1.191 1.678 -2.805 446 H LYS 60 HN LYS 60 -0.814 3.686 0.438 447 HA LYS 60 HA LYS 60 0.027 5.649 -1.600 448 HB2 LYS 60 HB2 LYS 60 -1.964 6.179 -0.130 449 HB3 LYS 60 HB1 LYS 60 -0.881 6.105 1.248 450 HG2 LYS 60 HG2 LYS 60 0.429 7.978 0.274 451 HG3 LYS 60 HG1 LYS 60 -0.751 8.082 -1.028 452 HD2 LYS 60 HD2 LYS 60 -1.299 9.753 0.615 453 HD3 LYS 60 HD1 LYS 60 -2.519 8.483 0.704 454 HE2 LYS 60 HE2 LYS 60 -1.290 7.501 2.630 455 HE3 LYS 60 HE1 LYS 60 -0.149 8.839 2.538 456 HZ1 LYS 60 HZ1 LYS 60 -3.051 9.020 3.129 457 HZ2 LYS 60 HZ2 LYS 60 -2.009 10.345 2.991 458 HZ3 LYS 60 HZ3 LYS 60 -1.796 9.230 4.235 459 H PHE 61 HN PHE 61 2.149 6.026 -1.631 460 HA PHE 61 HA PHE 61 3.801 4.855 0.438 461 HB2 PHE 61 HB2 PHE 61 4.521 6.226 -2.139 462 HB3 PHE 61 HB1 PHE 61 5.688 5.542 -1.023 463 HD1 PHE 61 HD2 PHE 61 2.950 4.779 -3.325 464 HD2 PHE 61 HD1 PHE 61 6.106 3.219 -0.948 465 HE1 PHE 61 HE2 PHE 61 2.712 2.638 -4.437 466 HE2 PHE 61 HE1 PHE 61 5.883 1.045 -2.069 467 HZ PHE 61 HZ PHE 61 4.186 0.754 -3.832 468 H ALA 62 HN ALA 62 5.737 6.025 1.086 469 HA ALA 62 HA ALA 62 5.245 8.324 2.579 470 HB1 ALA 62 HB1 ALA 62 6.973 6.695 3.115 471 HB2 ALA 62 HB2 ALA 62 7.654 8.320 3.002 472 HB3 ALA 62 HB3 ALA 62 7.881 7.174 1.683 473 H ASP 63 HN ASP 63 5.834 8.085 -0.727 474 HA ASP 63 HA ASP 63 6.958 10.767 -0.926 475 HB2 ASP 63 HB2 ASP 63 7.299 10.376 -3.253 476 HB3 ASP 63 HB1 ASP 63 7.822 8.920 -2.420 477 H GLY 64 HN GLY 64 3.927 9.264 -0.849 478 HA2 GLY 64 HA2 GLY 64 1.979 10.582 -0.725 479 HA3 GLY 64 HA1 GLY 64 2.699 11.729 -1.840 480 H SER 65 HN SER 65 3.525 9.280 -3.591 481 HA SER 65 HA SER 65 1.033 9.268 -5.041 482 HB2 SER 65 HB2 SER 65 3.636 7.904 -5.730 483 HB3 SER 65 HB1 SER 65 2.283 8.227 -6.821 484 HG SER 65 HG SER 65 4.084 9.989 -5.614 485 H THR 66 HN THR 66 0.163 7.241 -5.916 486 HA THR 66 HA THR 66 0.184 5.164 -3.865 487 HB THR 66 HB THR 66 -2.070 4.679 -5.007 488 HG1 THR 66 HG1 THR 66 -1.838 6.099 -6.778 489 HG21 THR 66 HG21 THR 66 -3.206 6.319 -3.575 490 HG22 THR 66 HG22 THR 66 -1.672 7.168 -3.339 491 HG23 THR 66 HG23 THR 66 -1.883 5.519 -2.737 492 H LEU 67 HN LEU 67 -0.260 3.041 -4.646 493 HA LEU 67 HA LEU 67 -0.168 2.602 -7.504 494 HB2 LEU 67 HB2 LEU 67 1.485 0.990 -5.503 495 HB3 LEU 67 HB1 LEU 67 1.104 0.424 -7.106 496 HG LEU 67 HG LEU 67 2.846 2.818 -6.451 497 HD11 LEU 67 HD11 LEU 67 3.885 0.608 -5.952 498 HD12 LEU 67 HD12 LEU 67 4.674 1.470 -7.262 499 HD13 LEU 67 HD13 LEU 67 3.582 0.139 -7.625 500 HD21 LEU 67 HD21 LEU 67 3.370 2.800 -8.854 501 HD22 LEU 67 HD22 LEU 67 1.684 3.177 -8.550 502 HD23 LEU 67 HD23 LEU 67 2.139 1.562 -9.106 503 H THR 68 HN THR 68 -2.006 1.768 -7.995 504 HA THR 68 HA THR 68 -3.887 0.729 -6.208 505 HB THR 68 HB THR 68 -3.662 0.165 -9.170 506 HG1 THR 68 HG1 THR 68 -5.081 2.445 -8.581 507 HG21 THR 68 HG21 THR 68 -6.128 0.332 -9.068 508 HG22 THR 68 HG22 THR 68 -6.030 0.664 -7.337 509 HG23 THR 68 HG23 THR 68 -5.535 -0.906 -7.964 510 H ASN 69 HN ASN 69 -4.364 -1.410 -5.683 511 HA ASN 69 HA ASN 69 -2.967 -3.083 -4.576 512 HB2 ASN 69 HB2 ASN 69 -5.132 -3.688 -5.038 513 HB3 ASN 69 HB1 ASN 69 -4.798 -4.080 -6.744 514 HD21 ASN 69 HD21 ASN 69 -5.382 -6.202 -6.680 515 HD22 ASN 69 HD22 ASN 69 -4.593 -7.398 -5.718 516 HA PRO 70 HA PRO 70 0.464 -4.368 -7.205 517 HB2 PRO 70 HB2 PRO 70 2.344 -3.325 -5.557 518 HB3 PRO 70 HB1 PRO 70 1.577 -2.403 -6.850 519 HG2 PRO 70 HG2 PRO 70 1.322 -2.019 -3.993 520 HG3 PRO 70 HG1 PRO 70 0.624 -1.051 -5.300 521 HD2 PRO 70 HD2 PRO 70 -0.605 -3.179 -3.666 522 HD3 PRO 70 HD1 PRO 70 -1.359 -1.865 -4.595 523 H SER 71 HN SER 71 2.126 -5.819 -6.736 524 HA SER 71 HA SER 71 1.539 -7.584 -4.514 525 HB2 SER 71 HB2 SER 71 3.672 -7.878 -6.613 526 HB3 SER 71 HB1 SER 71 2.816 -9.152 -5.730 527 HG SER 71 HG SER 71 1.843 -7.414 -7.706 528 H ALA 72 HN ALA 72 3.690 -8.488 -3.419 529 HA ALA 72 HA ALA 72 4.840 -6.379 -1.911 530 HB1 ALA 72 HB1 ALA 72 4.557 -8.646 -1.061 531 HB2 ALA 72 HB2 ALA 72 6.227 -8.103 -0.930 532 HB3 ALA 72 HB3 ALA 72 5.765 -9.235 -2.205 533 H ASP 73 HN ASP 73 6.047 -8.194 -4.652 534 HA ASP 73 HA ASP 73 8.689 -7.211 -4.646 535 HB2 ASP 73 HB2 ASP 73 6.980 -8.059 -6.987 536 HB3 ASP 73 HB1 ASP 73 8.693 -7.695 -7.108 537 H GLU 74 HN GLU 74 5.823 -6.061 -6.260 538 HA GLU 74 HA GLU 74 6.953 -3.929 -7.681 539 HB2 GLU 74 HB2 GLU 74 4.120 -4.256 -6.693 540 HB3 GLU 74 HB1 GLU 74 4.644 -3.160 -7.965 541 HG2 GLU 74 HG2 GLU 74 5.308 -5.040 -9.351 542 HG3 GLU 74 HG1 GLU 74 4.867 -6.161 -8.066 543 H VAL 75 HN VAL 75 5.418 -4.044 -4.483 544 HA VAL 75 HA VAL 75 5.764 -1.249 -4.110 545 HB VAL 75 HB VAL 75 5.274 -1.708 -1.656 546 HG11 VAL 75 HG11 VAL 75 3.546 -0.951 -3.220 547 HG12 VAL 75 HG12 VAL 75 2.874 -2.150 -2.108 548 HG13 VAL 75 HG13 VAL 75 3.316 -2.618 -3.750 549 HG21 VAL 75 HG21 VAL 75 4.558 -4.386 -2.756 550 HG22 VAL 75 HG22 VAL 75 4.233 -3.830 -1.115 551 HG23 VAL 75 HG23 VAL 75 5.906 -4.079 -1.658 552 H LYS 76 HN LYS 76 7.672 -4.041 -3.068 553 HA LYS 76 HA LYS 76 9.538 -2.733 -1.431 554 HB2 LYS 76 HB2 LYS 76 9.875 -5.067 -3.311 555 HB3 LYS 76 HB1 LYS 76 11.143 -4.512 -2.233 556 HG2 LYS 76 HG2 LYS 76 9.942 -5.153 -0.322 557 HG3 LYS 76 HG1 LYS 76 8.441 -5.320 -1.239 558 HD2 LYS 76 HD2 LYS 76 9.373 -7.512 -0.723 559 HD3 LYS 76 HD1 LYS 76 9.387 -7.215 -2.452 560 HE2 LYS 76 HE2 LYS 76 11.790 -6.579 -2.261 561 HE3 LYS 76 HE1 LYS 76 11.726 -7.037 -0.559 562 HZ1 LYS 76 HZ1 LYS 76 12.573 -8.850 -1.921 563 HZ2 LYS 76 HZ2 LYS 76 11.203 -8.804 -2.869 564 HZ3 LYS 76 HZ3 LYS 76 11.066 -9.293 -1.269 565 H ALA 77 HN ALA 77 9.425 -3.212 -4.884 566 HA ALA 77 HA ALA 77 11.902 -2.170 -5.595 567 HB1 ALA 77 HB1 ALA 77 10.483 -3.478 -7.099 568 HB2 ALA 77 HB2 ALA 77 10.978 -1.950 -7.835 569 HB3 ALA 77 HB3 ALA 77 9.349 -2.132 -7.190 570 H LYS 78 HN LYS 78 8.834 -0.537 -5.020 571 HA LYS 78 HA LYS 78 9.926 1.949 -5.989 572 HB2 LYS 78 HB2 LYS 78 7.404 1.188 -6.029 573 HB3 LYS 78 HB1 LYS 78 7.393 1.861 -4.401 574 HG2 LYS 78 HG2 LYS 78 8.544 3.908 -5.555 575 HG3 LYS 78 HG1 LYS 78 7.835 3.208 -6.999 576 HD2 LYS 78 HD2 LYS 78 5.617 3.334 -5.963 577 HD3 LYS 78 HD1 LYS 78 6.342 4.101 -4.546 578 HE2 LYS 78 HE2 LYS 78 7.338 5.788 -6.198 579 HE3 LYS 78 HE1 LYS 78 6.213 5.119 -7.354 580 HZ1 LYS 78 HZ1 LYS 78 4.382 5.739 -5.875 581 HZ2 LYS 78 HZ2 LYS 78 5.318 7.018 -6.421 582 HZ3 LYS 78 HZ3 LYS 78 5.514 6.515 -4.832 583 H LEU 79 HN LEU 79 8.868 0.585 -2.919 584 HA LEU 79 HA LEU 79 9.169 2.782 -1.269 585 HB2 LEU 79 HB2 LEU 79 7.945 0.795 -0.643 586 HB3 LEU 79 HB1 LEU 79 9.421 -0.144 -0.622 587 HG LEU 79 HG LEU 79 10.229 1.198 1.272 588 HD11 LEU 79 HD11 LEU 79 8.981 3.256 0.820 589 HD12 LEU 79 HD12 LEU 79 8.725 2.686 2.460 590 HD13 LEU 79 HD13 LEU 79 7.475 2.432 1.237 591 HD21 LEU 79 HD21 LEU 79 9.104 -0.908 1.680 592 HD22 LEU 79 HD22 LEU 79 7.537 -0.100 1.670 593 HD23 LEU 79 HD23 LEU 79 8.698 0.248 2.949 594 H VAL 80 HN VAL 80 11.563 0.351 -2.156 595 HA VAL 80 HA VAL 80 13.547 1.080 -0.304 596 HB VAL 80 HB VAL 80 13.551 -1.025 -1.650 597 HG11 VAL 80 HG11 VAL 80 12.968 -0.206 -3.817 598 HG12 VAL 80 HG12 VAL 80 14.509 -1.068 -3.880 599 HG13 VAL 80 HG13 VAL 80 14.482 0.695 -3.913 600 HG21 VAL 80 HG21 VAL 80 15.506 -0.407 -0.446 601 HG22 VAL 80 HG22 VAL 80 16.047 0.640 -1.762 602 HG23 VAL 80 HG23 VAL 80 15.999 -1.114 -1.989 603 H LYS 81 HN LYS 81 12.783 2.463 -3.458 604 HA LYS 81 HA LYS 81 15.196 4.000 -3.610 605 HB2 LYS 81 HB2 LYS 81 12.613 4.430 -5.114 606 HB3 LYS 81 HB1 LYS 81 14.193 5.059 -5.549 607 HG2 LYS 81 HG2 LYS 81 14.976 2.763 -5.939 608 HG3 LYS 81 HG1 LYS 81 13.363 2.165 -5.534 609 HD2 LYS 81 HD2 LYS 81 12.517 3.712 -7.415 610 HD3 LYS 81 HD1 LYS 81 14.203 3.871 -7.844 611 HE2 LYS 81 HE2 LYS 81 14.442 1.545 -8.268 612 HE3 LYS 81 HE1 LYS 81 12.838 1.209 -7.621 613 HZ1 LYS 81 HZ1 LYS 81 13.425 2.776 -10.071 614 HZ2 LYS 81 HZ2 LYS 81 11.898 2.487 -9.434 615 HZ3 LYS 81 HZ3 LYS 81 12.816 1.204 -10.017 616 H ILE 82 HN ILE 82 12.073 4.425 -2.251 617 HA ILE 82 HA ILE 82 12.139 7.290 -2.018 618 HB ILE 82 HB ILE 82 10.479 5.350 -0.381 619 HG12 ILE 82 HG12 ILE 82 9.751 6.705 -2.982 620 HG13 ILE 82 HG11 ILE 82 10.181 5.003 -2.815 621 HG21 ILE 82 HG21 ILE 82 10.096 8.276 -1.043 622 HG22 ILE 82 HG22 ILE 82 10.523 7.608 0.533 623 HG23 ILE 82 HG23 ILE 82 8.939 7.275 -0.170 624 HD11 ILE 82 HD11 ILE 82 7.802 6.380 -1.592 625 HD12 ILE 82 HD12 ILE 82 8.229 4.690 -1.354 626 HD13 ILE 82 HD13 ILE 82 7.778 5.266 -2.958 627 H ALA 83 HN ALA 83 12.750 4.557 0.113 628 HA ALA 83 HA ALA 83 13.297 6.222 2.374 629 HB1 ALA 83 HB1 ALA 83 13.815 3.276 2.016 630 HB2 ALA 83 HB2 ALA 83 12.341 4.003 2.673 631 HB3 ALA 83 HB3 ALA 83 13.865 4.165 3.538 632 H GLY 84 HN GLY 84 15.349 4.259 0.198 633 HA2 GLY 84 HA2 GLY 84 17.540 5.547 -0.228 634 HA3 GLY 84 HA1 GLY 84 17.641 5.415 1.544 635 H LEU 85 HN LEU 85 19.271 4.117 1.823 636 HA LEU 85 HA LEU 85 20.180 2.135 2.307 637 HB2 LEU 85 HB2 LEU 85 17.601 1.023 1.263 638 HB3 LEU 85 HB1 LEU 85 18.870 0.017 1.929 639 HG LEU 85 HG LEU 85 17.148 0.256 3.493 640 HD11 LEU 85 HD11 LEU 85 19.455 1.981 4.353 641 HD12 LEU 85 HD12 LEU 85 19.343 0.225 4.468 642 HD13 LEU 85 HD13 LEU 85 18.281 1.239 5.440 643 HD21 LEU 85 HD21 LEU 85 16.393 2.384 4.466 644 HD22 LEU 85 HD22 LEU 85 16.037 2.235 2.741 645 HD23 LEU 85 HD23 LEU 85 17.379 3.247 3.281 646 H GLU 86 HN GLU 86 18.665 1.925 -0.910 647 HA GLU 86 HA GLU 86 20.823 0.268 -1.823 648 HB2 GLU 86 HB2 GLU 86 19.701 0.266 -4.052 649 HB3 GLU 86 HB1 GLU 86 18.626 -0.197 -2.744 650 HG2 GLU 86 HG2 GLU 86 17.357 1.730 -2.920 651 HG3 GLU 86 HG1 GLU 86 18.641 2.610 -3.746 652 H HIS 87 HN HIS 87 22.433 1.731 -1.238 653 HA HIS 87 HA HIS 87 23.611 3.089 -3.407 654 HB2 HIS 87 HB2 HIS 87 23.642 5.400 -2.474 655 HB3 HIS 87 HB1 HIS 87 22.003 4.907 -2.861 656 HD1 HIS 87 HD1 HIS 87 24.247 5.657 0.147 657 HD2 HIS 87 HD2 HIS 87 20.263 4.799 -0.725 658 HE1 HIS 87 HE1 HIS 87 22.953 6.131 2.231 659 H HIS 88 HN HIS 88 25.499 4.461 -2.357 660 HA HIS 88 HA HIS 88 26.301 3.251 0.154 661 HB2 HIS 88 HB2 HIS 88 27.618 2.212 -1.726 662 HB3 HIS 88 HB1 HIS 88 28.177 3.819 -2.175 663 HD1 HIS 88 HD1 HIS 88 30.114 4.794 -0.823 664 HD2 HIS 88 HD2 HIS 88 28.625 1.257 0.733 665 HE1 HIS 88 HE1 HIS 88 31.718 4.111 0.992 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 14.128 5.966 7.477 2 H2 MET 1 HT2 MET 1 13.534 4.673 8.352 3 H3 MET 1 HT3 MET 1 14.922 5.459 8.910 4 HA MET 1 HA MET 1 13.016 6.019 10.207 5 HB2 MET 1 HB2 MET 1 13.630 8.269 8.261 6 HB3 MET 1 HB1 MET 1 12.902 8.463 9.843 7 HG2 MET 1 HG2 MET 1 15.695 7.509 9.277 8 HG3 MET 1 HG1 MET 1 15.235 9.090 9.901 9 HE1 MET 1 HE1 MET 1 16.898 8.875 11.935 10 HE2 MET 1 HE2 MET 1 17.433 7.328 11.285 11 HE3 MET 1 HE3 MET 1 16.977 7.459 12.984 12 H VAL 2 HN VAL 2 11.014 7.780 9.726 13 HA VAL 2 HA VAL 2 8.997 8.125 8.831 14 HB VAL 2 HB VAL 2 10.033 6.660 6.367 15 HG11 VAL 2 HG11 VAL 2 7.568 8.362 6.649 16 HG12 VAL 2 HG12 VAL 2 7.603 6.609 6.445 17 HG13 VAL 2 HG13 VAL 2 8.173 7.660 5.149 18 HG21 VAL 2 HG21 VAL 2 10.265 8.891 5.380 19 HG22 VAL 2 HG22 VAL 2 11.276 8.709 6.815 20 HG23 VAL 2 HG23 VAL 2 9.770 9.621 6.905 21 H THR 3 HN THR 3 7.748 7.114 10.211 22 HA THR 3 HA THR 3 7.515 4.339 10.384 23 HB THR 3 HB THR 3 5.272 5.641 11.507 24 HG1 THR 3 HG1 THR 3 6.003 7.603 11.729 25 HG21 THR 3 HG21 THR 3 7.924 4.849 12.691 26 HG22 THR 3 HG22 THR 3 6.549 3.757 12.463 27 HG23 THR 3 HG23 THR 3 6.438 5.103 13.607 28 H ALA 4 HN ALA 4 5.535 6.877 8.869 29 HA ALA 4 HA ALA 4 3.792 4.811 7.825 30 HB1 ALA 4 HB1 ALA 4 2.712 6.838 8.705 31 HB2 ALA 4 HB2 ALA 4 2.386 6.644 6.981 32 HB3 ALA 4 HB3 ALA 4 3.587 7.815 7.528 33 H ALA 5 HN ALA 5 5.532 3.920 6.710 34 HA ALA 5 HA ALA 5 6.950 5.112 4.597 35 HB1 ALA 5 HB1 ALA 5 6.201 2.223 5.065 36 HB2 ALA 5 HB2 ALA 5 7.654 3.034 5.655 37 HB3 ALA 5 HB3 ALA 5 7.417 2.783 3.924 38 H LEU 6 HN LEU 6 4.094 3.047 4.603 39 HA LEU 6 HA LEU 6 2.931 4.550 2.497 40 HB2 LEU 6 HB2 LEU 6 2.353 2.624 1.085 41 HB3 LEU 6 HB1 LEU 6 4.080 2.872 1.132 42 HG LEU 6 HG LEU 6 2.730 0.770 2.833 43 HD11 LEU 6 HD11 LEU 6 2.114 0.306 0.569 44 HD12 LEU 6 HD12 LEU 6 3.376 -0.822 1.068 45 HD13 LEU 6 HD13 LEU 6 3.770 0.566 0.032 46 HD21 LEU 6 HD21 LEU 6 5.534 1.062 1.760 47 HD22 LEU 6 HD22 LEU 6 4.943 -0.257 2.775 48 HD23 LEU 6 HD23 LEU 6 5.026 1.384 3.416 49 H THR 7 HN THR 7 0.814 4.504 2.561 50 HA THR 7 HA THR 7 -0.312 3.106 4.856 51 HB THR 7 HB THR 7 -1.413 5.528 3.408 52 HG1 THR 7 HG1 THR 7 0.563 5.173 5.305 53 HG21 THR 7 HG21 THR 7 -1.979 4.344 6.139 54 HG22 THR 7 HG22 THR 7 -3.042 4.220 4.734 55 HG23 THR 7 HG23 THR 7 -2.729 5.794 5.469 56 H ILE 8 HN ILE 8 -1.629 1.552 4.470 57 HA ILE 8 HA ILE 8 -2.509 0.922 1.787 58 HB ILE 8 HB ILE 8 -2.593 -0.616 4.394 59 HG12 ILE 8 HG12 ILE 8 -1.103 -1.164 1.838 60 HG13 ILE 8 HG11 ILE 8 -0.375 -0.450 3.281 61 HG21 ILE 8 HG21 ILE 8 -3.656 -1.505 1.733 62 HG22 ILE 8 HG22 ILE 8 -4.551 -1.151 3.223 63 HG23 ILE 8 HG23 ILE 8 -3.444 -2.522 3.173 64 HD11 ILE 8 HD11 ILE 8 -1.559 -3.205 3.006 65 HD12 ILE 8 HD12 ILE 8 -0.880 -2.528 4.490 66 HD13 ILE 8 HD13 ILE 8 0.156 -2.801 3.093 67 H TYR 9 HN TYR 9 -4.360 1.513 1.070 68 HA TYR 9 HA TYR 9 -6.575 2.022 2.907 69 HB2 TYR 9 HB2 TYR 9 -6.218 2.658 -0.019 70 HB3 TYR 9 HB1 TYR 9 -7.667 3.011 0.911 71 HD1 TYR 9 HD1 TYR 9 -7.188 4.382 3.124 72 HD2 TYR 9 HD2 TYR 9 -4.697 4.344 -0.307 73 HE1 TYR 9 HE1 TYR 9 -6.263 6.530 3.800 74 HE2 TYR 9 HE2 TYR 9 -3.761 6.502 0.350 75 HH TYR 9 HH TYR 9 -4.287 7.869 3.431 76 H THR 10 HN THR 10 -7.757 0.396 3.334 77 HA THR 10 HA THR 10 -8.598 -1.351 1.202 78 HB THR 10 HB THR 10 -6.556 -2.441 2.105 79 HG1 THR 10 HG1 THR 10 -8.225 -4.181 3.249 80 HG21 THR 10 HG21 THR 10 -8.014 -2.422 4.761 81 HG22 THR 10 HG22 THR 10 -6.573 -1.482 4.370 82 HG23 THR 10 HG23 THR 10 -6.486 -3.241 4.435 83 H THR 11 HN THR 11 -10.220 -2.951 2.280 84 HA THR 11 HA THR 11 -11.716 -1.658 4.453 85 HB THR 11 HB THR 11 -13.394 -3.032 2.485 86 HG1 THR 11 HG1 THR 11 -11.503 -1.552 1.494 87 HG21 THR 11 HG21 THR 11 -13.367 -0.268 3.683 88 HG22 THR 11 HG22 THR 11 -14.248 -1.680 4.293 89 HG23 THR 11 HG23 THR 11 -14.689 -0.967 2.749 90 H SER 12 HN SER 12 -13.150 -3.296 5.503 91 HA SER 12 HA SER 12 -11.670 -5.608 6.080 92 HB2 SER 12 HB2 SER 12 -13.145 -4.427 7.696 93 HB3 SER 12 HB1 SER 12 -14.549 -4.991 6.796 94 HG SER 12 HG SER 12 -12.847 -6.999 7.447 95 H TRP 13 HN TRP 13 -13.911 -5.011 3.594 96 HA TRP 13 HA TRP 13 -14.479 -7.844 3.254 97 HB2 TRP 13 HB2 TRP 13 -16.058 -6.993 1.425 98 HB3 TRP 13 HB1 TRP 13 -16.477 -6.641 3.097 99 HD1 TRP 13 HD1 TRP 13 -16.785 -4.175 3.753 100 HE1 TRP 13 HE1 TRP 13 -16.607 -1.945 2.566 101 HE3 TRP 13 HE3 TRP 13 -14.619 -5.792 -0.596 102 HZ2 TRP 13 HZ2 TRP 13 -15.663 -0.963 0.036 103 HZ3 TRP 13 HZ3 TRP 13 -14.113 -4.137 -2.344 104 HH2 TRP 13 HH2 TRP 13 -14.627 -1.775 -2.031 105 H CYS 14 HN CYS 14 -11.989 -6.018 2.411 106 HA CYS 14 HA CYS 14 -11.879 -6.656 -0.399 107 HB2 CYS 14 HB2 CYS 14 -9.812 -5.468 1.452 108 HB3 CYS 14 HB1 CYS 14 -9.581 -5.684 -0.276 109 HG CYS 14 HG CYS 14 -12.180 -4.086 -0.458 110 H GLY 15 HN GLY 15 -11.501 -8.651 -1.020 111 HA2 GLY 15 HA2 GLY 15 -10.290 -10.636 0.585 112 HA3 GLY 15 HA1 GLY 15 -10.635 -10.775 -1.133 113 H TYR 16 HN TYR 16 -9.034 -8.355 -1.716 114 HA TYR 16 HA TYR 16 -6.532 -9.687 -1.914 115 HB2 TYR 16 HB2 TYR 16 -7.551 -7.089 -2.929 116 HB3 TYR 16 HB1 TYR 16 -5.810 -7.400 -2.977 117 HD1 TYR 16 HD2 TYR 16 -5.354 -9.904 -3.873 118 HD2 TYR 16 HD1 TYR 16 -8.665 -7.480 -4.925 119 HE1 TYR 16 HE2 TYR 16 -5.635 -11.221 -5.919 120 HE2 TYR 16 HE1 TYR 16 -8.974 -8.798 -6.989 121 HH TYR 16 HH TYR 16 -7.423 -11.775 -7.444 122 H CYS 17 HN CYS 17 -7.843 -7.957 0.558 123 HA CYS 17 HA CYS 17 -5.646 -6.399 1.421 124 HB2 CYS 17 HB2 CYS 17 -7.893 -6.008 2.274 125 HB3 CYS 17 HB1 CYS 17 -7.924 -7.604 3.004 126 HG CYS 17 HG CYS 17 -7.441 -6.468 5.232 127 H LEU 18 HN LEU 18 -6.848 -9.485 2.693 128 HA LEU 18 HA LEU 18 -4.515 -9.938 4.227 129 HB2 LEU 18 HB2 LEU 18 -5.508 -12.263 4.506 130 HB3 LEU 18 HB1 LEU 18 -6.403 -10.909 5.141 131 HG LEU 18 HG LEU 18 -7.869 -11.006 3.084 132 HD11 LEU 18 HD11 LEU 18 -6.491 -13.631 2.604 133 HD12 LEU 18 HD12 LEU 18 -6.432 -12.183 1.591 134 HD13 LEU 18 HD13 LEU 18 -7.954 -13.051 1.794 135 HD21 LEU 18 HD21 LEU 18 -8.613 -11.897 5.194 136 HD22 LEU 18 HD22 LEU 18 -7.827 -13.442 4.851 137 HD23 LEU 18 HD23 LEU 18 -9.188 -12.901 3.864 138 H ARG 19 HN ARG 19 -5.288 -10.536 1.050 139 HA ARG 19 HA ARG 19 -3.514 -12.612 0.337 140 HB2 ARG 19 HB2 ARG 19 -5.370 -11.814 -1.057 141 HB3 ARG 19 HB1 ARG 19 -4.597 -10.249 -1.191 142 HG2 ARG 19 HG2 ARG 19 -4.274 -11.433 -3.233 143 HG3 ARG 19 HG1 ARG 19 -2.725 -11.346 -2.400 144 HD2 ARG 19 HD2 ARG 19 -2.952 -13.604 -1.655 145 HD3 ARG 19 HD1 ARG 19 -4.590 -13.700 -2.311 146 HE ARG 19 HE ARG 19 -2.220 -13.265 -3.997 147 HH11 ARG 19 HH11 ARG 19 -5.193 -15.102 -3.309 148 HH12 ARG 19 HH12 ARG 19 -5.201 -15.842 -4.847 149 HH21 ARG 19 HH21 ARG 19 -2.322 -14.277 -6.088 150 HH22 ARG 19 HH22 ARG 19 -3.595 -15.334 -6.443 151 H LEU 20 HN LEU 20 -3.296 -9.101 0.485 152 HA LEU 20 HA LEU 20 -0.633 -9.083 -0.539 153 HB2 LEU 20 HB2 LEU 20 -2.275 -7.438 -1.233 154 HB3 LEU 20 HB1 LEU 20 -2.451 -6.905 0.410 155 HG LEU 20 HG LEU 20 -0.233 -6.045 0.444 156 HD11 LEU 20 HD11 LEU 20 0.948 -7.514 -1.086 157 HD12 LEU 20 HD12 LEU 20 1.092 -5.859 -1.665 158 HD13 LEU 20 HD13 LEU 20 -0.050 -6.958 -2.431 159 HD21 LEU 20 HD21 LEU 20 -1.848 -5.101 -1.906 160 HD22 LEU 20 HD22 LEU 20 -0.528 -4.204 -1.154 161 HD23 LEU 20 HD23 LEU 20 -1.987 -4.562 -0.228 162 H LYS 21 HN LYS 21 -2.204 -8.691 2.572 163 HA LYS 21 HA LYS 21 -0.231 -7.453 4.095 164 HB2 LYS 21 HB2 LYS 21 -2.081 -9.673 4.971 165 HB3 LYS 21 HB1 LYS 21 -1.145 -8.671 6.059 166 HG2 LYS 21 HG2 LYS 21 -3.294 -7.714 4.200 167 HG3 LYS 21 HG1 LYS 21 -3.480 -7.975 5.938 168 HD2 LYS 21 HD2 LYS 21 -1.638 -6.272 6.260 169 HD3 LYS 21 HD1 LYS 21 -1.759 -5.937 4.534 170 HE2 LYS 21 HE2 LYS 21 -3.066 -4.325 5.821 171 HE3 LYS 21 HE1 LYS 21 -4.105 -5.316 4.802 172 HZ1 LYS 21 HZ1 LYS 21 -4.794 -6.590 6.732 173 HZ2 LYS 21 HZ2 LYS 21 -4.904 -4.946 7.146 174 HZ3 LYS 21 HZ3 LYS 21 -3.624 -5.843 7.677 175 H THR 22 HN THR 22 -0.584 -10.899 3.447 176 HA THR 22 HA THR 22 1.547 -11.754 5.040 177 HB THR 22 HB THR 22 1.334 -13.823 3.491 178 HG1 THR 22 HG1 THR 22 -1.184 -12.874 2.792 179 HG21 THR 22 HG21 THR 22 -0.757 -14.491 4.606 180 HG22 THR 22 HG22 THR 22 -1.050 -12.811 5.056 181 HG23 THR 22 HG23 THR 22 0.331 -13.680 5.731 182 H ALA 23 HN ALA 23 1.333 -10.817 1.673 183 HA ALA 23 HA ALA 23 3.868 -11.717 0.846 184 HB1 ALA 23 HB1 ALA 23 2.070 -11.173 -0.731 185 HB2 ALA 23 HB2 ALA 23 3.547 -10.279 -1.104 186 HB3 ALA 23 HB3 ALA 23 2.203 -9.472 -0.292 187 H LEU 24 HN LEU 24 2.776 -8.661 2.217 188 HA LEU 24 HA LEU 24 5.276 -7.324 1.836 189 HB2 LEU 24 HB2 LEU 24 3.052 -6.702 3.762 190 HB3 LEU 24 HB1 LEU 24 4.408 -5.651 3.447 191 HG LEU 24 HG LEU 24 2.223 -6.388 1.501 192 HD11 LEU 24 HD11 LEU 24 1.668 -3.928 1.748 193 HD12 LEU 24 HD12 LEU 24 2.889 -3.855 3.003 194 HD13 LEU 24 HD13 LEU 24 1.466 -4.852 3.241 195 HD21 LEU 24 HD21 LEU 24 3.204 -4.544 0.119 196 HD22 LEU 24 HD22 LEU 24 4.170 -5.986 0.170 197 HD23 LEU 24 HD23 LEU 24 4.622 -4.581 1.157 198 H THR 25 HN THR 25 3.827 -8.901 4.665 199 HA THR 25 HA THR 25 5.942 -8.369 6.395 200 HB THR 25 HB THR 25 4.049 -10.738 6.423 201 HG1 THR 25 HG1 THR 25 3.757 -8.230 7.747 202 HG21 THR 25 HG21 THR 25 4.404 -10.688 8.862 203 HG22 THR 25 HG22 THR 25 5.539 -9.351 8.673 204 HG23 THR 25 HG23 THR 25 5.933 -10.939 8.019 205 H ALA 26 HN ALA 26 5.449 -10.999 4.076 206 HA ALA 26 HA ALA 26 7.714 -12.530 4.894 207 HB1 ALA 26 HB1 ALA 26 7.333 -13.830 2.867 208 HB2 ALA 26 HB2 ALA 26 6.224 -12.595 2.270 209 HB3 ALA 26 HB3 ALA 26 5.808 -13.530 3.705 210 H ASN 27 HN ASN 27 7.495 -9.629 3.225 211 HA ASN 27 HA ASN 27 10.154 -10.043 2.064 212 HB2 ASN 27 HB2 ASN 27 7.851 -8.399 1.063 213 HB3 ASN 27 HB1 ASN 27 9.502 -8.006 0.596 214 HD21 ASN 27 HD21 ASN 27 6.929 -10.337 0.330 215 HD22 ASN 27 HD22 ASN 27 7.645 -11.251 -0.953 216 H ARG 28 HN ARG 28 9.199 -9.161 4.748 217 HA ARG 28 HA ARG 28 9.680 -7.741 6.427 218 HB2 ARG 28 HB2 ARG 28 11.969 -7.016 6.715 219 HB3 ARG 28 HB1 ARG 28 12.022 -8.563 5.893 220 HG2 ARG 28 HG2 ARG 28 12.469 -7.490 3.813 221 HG3 ARG 28 HG1 ARG 28 12.220 -5.912 4.557 222 HD2 ARG 28 HD2 ARG 28 14.188 -6.353 6.019 223 HD3 ARG 28 HD1 ARG 28 14.468 -7.855 5.137 224 HE ARG 28 HE ARG 28 14.382 -5.977 3.185 225 HH11 ARG 28 HH11 ARG 28 16.337 -6.371 6.094 226 HH12 ARG 28 HH12 ARG 28 17.655 -5.452 5.550 227 HH21 ARG 28 HH21 ARG 28 16.282 -4.671 2.372 228 HH22 ARG 28 HH22 ARG 28 17.601 -4.489 3.388 229 H ILE 29 HN ILE 29 8.043 -6.610 4.462 230 HA ILE 29 HA ILE 29 8.947 -3.869 4.153 231 HB ILE 29 HB ILE 29 6.396 -5.193 3.198 232 HG12 ILE 29 HG12 ILE 29 8.908 -4.486 1.664 233 HG13 ILE 29 HG11 ILE 29 8.505 -6.104 2.216 234 HG21 ILE 29 HG21 ILE 29 6.176 -2.764 3.475 235 HG22 ILE 29 HG22 ILE 29 6.168 -3.190 1.758 236 HG23 ILE 29 HG23 ILE 29 7.623 -2.522 2.508 237 HD11 ILE 29 HD11 ILE 29 6.492 -6.028 0.798 238 HD12 ILE 29 HD12 ILE 29 7.997 -5.879 -0.093 239 HD13 ILE 29 HD13 ILE 29 7.005 -4.445 0.203 240 H ALA 30 HN ALA 30 8.313 -2.260 5.344 241 HA ALA 30 HA ALA 30 6.456 -2.640 7.551 242 HB1 ALA 30 HB1 ALA 30 8.187 -0.359 6.673 243 HB2 ALA 30 HB2 ALA 30 8.558 -1.519 7.958 244 HB3 ALA 30 HB3 ALA 30 7.217 -0.371 8.146 245 H TYR 31 HN TYR 31 4.504 -1.455 7.712 246 HA TYR 31 HA TYR 31 3.786 0.444 5.696 247 HB2 TYR 31 HB2 TYR 31 1.816 -0.812 4.860 248 HB3 TYR 31 HB1 TYR 31 3.326 -1.617 4.450 249 HD1 TYR 31 HD2 TYR 31 0.275 -1.794 6.495 250 HD2 TYR 31 HD1 TYR 31 3.903 -3.751 5.450 251 HE1 TYR 31 HE2 TYR 31 -0.553 -3.855 7.540 252 HE2 TYR 31 HE1 TYR 31 3.090 -5.821 6.502 253 HH TYR 31 HH TYR 31 -0.180 -6.116 7.683 254 H ASP 32 HN ASP 32 1.548 1.221 6.052 255 HA ASP 32 HA ASP 32 0.563 0.784 8.782 256 HB2 ASP 32 HB2 ASP 32 1.778 3.003 8.525 257 HB3 ASP 32 HB1 ASP 32 0.590 3.431 7.304 258 H GLU 33 HN GLU 33 -1.747 0.742 8.855 259 HA GLU 33 HA GLU 33 -3.074 0.922 6.225 260 HB2 GLU 33 HB2 GLU 33 -4.360 -1.081 6.743 261 HB3 GLU 33 HB1 GLU 33 -2.642 -1.442 6.769 262 HG2 GLU 33 HG2 GLU 33 -2.694 -1.332 9.219 263 HG3 GLU 33 HG1 GLU 33 -4.423 -1.008 9.142 264 H VAL 34 HN VAL 34 -5.092 1.773 6.213 265 HA VAL 34 HA VAL 34 -6.439 2.280 8.724 266 HB VAL 34 HB VAL 34 -5.159 4.372 8.142 267 HG11 VAL 34 HG11 VAL 34 -5.785 5.771 6.285 268 HG12 VAL 34 HG12 VAL 34 -6.900 4.545 5.727 269 HG13 VAL 34 HG13 VAL 34 -5.144 4.217 5.734 270 HG21 VAL 34 HG21 VAL 34 -7.020 5.976 8.262 271 HG22 VAL 34 HG22 VAL 34 -7.148 4.662 9.437 272 HG23 VAL 34 HG23 VAL 34 -8.141 4.649 7.972 273 H ASP 35 HN ASP 35 -8.763 2.257 8.428 274 HA ASP 35 HA ASP 35 -9.376 0.741 6.008 275 HB2 ASP 35 HB2 ASP 35 -10.032 -0.190 8.169 276 HB3 ASP 35 HB1 ASP 35 -10.978 1.249 8.517 277 H ILE 36 HN ILE 36 -10.817 1.343 4.521 278 HA ILE 36 HA ILE 36 -11.317 4.173 4.380 279 HB ILE 36 HB ILE 36 -11.901 3.854 2.051 280 HG12 ILE 36 HG12 ILE 36 -11.353 0.920 2.578 281 HG13 ILE 36 HG11 ILE 36 -12.939 1.610 2.257 282 HG21 ILE 36 HG21 ILE 36 -9.601 4.215 2.680 283 HG22 ILE 36 HG22 ILE 36 -9.660 3.058 1.342 284 HG23 ILE 36 HG23 ILE 36 -9.383 2.492 2.983 285 HD11 ILE 36 HD11 ILE 36 -10.603 1.494 0.367 286 HD12 ILE 36 HD12 ILE 36 -12.148 2.277 0.019 287 HD13 ILE 36 HD13 ILE 36 -12.079 0.533 0.288 288 H GLU 37 HN GLU 37 -13.219 1.656 5.512 289 HA GLU 37 HA GLU 37 -15.610 2.341 4.121 290 HB2 GLU 37 HB2 GLU 37 -15.063 0.117 5.239 291 HB3 GLU 37 HB1 GLU 37 -15.455 0.897 6.761 292 HG2 GLU 37 HG2 GLU 37 -17.356 -0.347 5.986 293 HG3 GLU 37 HG1 GLU 37 -17.706 1.379 5.883 294 H HIS 38 HN HIS 38 -14.246 3.156 7.213 295 HA HIS 38 HA HIS 38 -16.479 4.952 7.702 296 HB2 HIS 38 HB2 HIS 38 -15.578 5.294 9.967 297 HB3 HIS 38 HB1 HIS 38 -15.780 3.587 9.610 298 HD1 HIS 38 HD1 HIS 38 -13.477 5.784 11.170 299 HD2 HIS 38 HD2 HIS 38 -13.122 2.468 8.704 300 HE1 HIS 38 HE1 HIS 38 -11.141 4.932 11.481 301 H ASN 39 HN ASN 39 -13.106 5.149 6.777 302 HA ASN 39 HA ASN 39 -13.138 8.047 7.109 303 HB2 ASN 39 HB2 ASN 39 -10.966 6.288 5.939 304 HB3 ASN 39 HB1 ASN 39 -10.843 8.026 6.105 305 HD21 ASN 39 HD21 ASN 39 -10.441 5.023 7.546 306 HD22 ASN 39 HD22 ASN 39 -9.948 5.587 9.087 307 H ARG 40 HN ARG 40 -14.429 8.975 5.700 308 HA ARG 40 HA ARG 40 -14.775 7.867 3.115 309 HB2 ARG 40 HB2 ARG 40 -16.643 8.989 4.183 310 HB3 ARG 40 HB1 ARG 40 -15.754 10.511 4.158 311 HG2 ARG 40 HG2 ARG 40 -15.758 10.569 1.781 312 HG3 ARG 40 HG1 ARG 40 -16.450 8.955 1.695 313 HD2 ARG 40 HD2 ARG 40 -18.484 9.780 2.740 314 HD3 ARG 40 HD1 ARG 40 -17.775 11.397 2.830 315 HE ARG 40 HE ARG 40 -17.884 11.596 0.549 316 HH11 ARG 40 HH11 ARG 40 -19.220 8.488 1.626 317 HH12 ARG 40 HH12 ARG 40 -20.051 8.168 0.182 318 HH21 ARG 40 HH21 ARG 40 -18.998 11.119 -1.496 319 HH22 ARG 40 HH22 ARG 40 -19.880 9.672 -1.650 320 H ALA 41 HN ALA 41 -12.831 10.528 4.334 321 HA ALA 41 HA ALA 41 -12.225 11.612 1.790 322 HB1 ALA 41 HB1 ALA 41 -10.341 12.714 2.863 323 HB2 ALA 41 HB2 ALA 41 -10.497 11.671 4.271 324 HB3 ALA 41 HB3 ALA 41 -11.769 12.841 3.894 325 H ALA 42 HN ALA 42 -10.947 9.000 3.657 326 HA ALA 42 HA ALA 42 -8.739 8.506 1.921 327 HB1 ALA 42 HB1 ALA 42 -8.719 7.739 4.280 328 HB2 ALA 42 HB2 ALA 42 -8.421 6.463 3.109 329 HB3 ALA 42 HB3 ALA 42 -10.002 6.582 3.898 330 H ALA 43 HN ALA 43 -11.988 7.156 2.319 331 HA ALA 43 HA ALA 43 -11.874 5.170 0.340 332 HB1 ALA 43 HB1 ALA 43 -14.291 5.183 0.396 333 HB2 ALA 43 HB2 ALA 43 -14.284 6.752 1.201 334 HB3 ALA 43 HB3 ALA 43 -13.652 5.335 2.033 335 H GLU 44 HN GLU 44 -12.875 8.532 0.128 336 HA GLU 44 HA GLU 44 -13.670 8.596 -2.556 337 HB2 GLU 44 HB2 GLU 44 -14.013 10.379 -0.829 338 HB3 GLU 44 HB1 GLU 44 -12.312 10.779 -0.963 339 HG2 GLU 44 HG2 GLU 44 -13.618 12.344 -2.226 340 HG3 GLU 44 HG1 GLU 44 -12.660 11.353 -3.327 341 H PHE 45 HN PHE 45 -10.582 9.195 -0.991 342 HA PHE 45 HA PHE 45 -9.043 9.865 -3.211 343 HB2 PHE 45 HB2 PHE 45 -8.303 10.281 -0.913 344 HB3 PHE 45 HB1 PHE 45 -8.254 8.555 -0.605 345 HD1 PHE 45 HD1 PHE 45 -6.729 11.208 -2.686 346 HD2 PHE 45 HD2 PHE 45 -6.325 7.318 -0.992 347 HE1 PHE 45 HE1 PHE 45 -4.386 11.138 -3.417 348 HE2 PHE 45 HE2 PHE 45 -3.981 7.249 -1.729 349 HZ PHE 45 HZ PHE 45 -3.011 9.159 -2.941 350 H VAL 46 HN VAL 46 -9.220 6.730 -1.524 351 HA VAL 46 HA VAL 46 -7.672 5.354 -3.439 352 HB VAL 46 HB VAL 46 -7.841 4.431 -1.190 353 HG11 VAL 46 HG11 VAL 46 -9.991 5.079 -0.554 354 HG12 VAL 46 HG12 VAL 46 -9.870 3.290 -0.524 355 HG13 VAL 46 HG13 VAL 46 -10.708 4.099 -1.854 356 HG21 VAL 46 HG21 VAL 46 -9.285 2.548 -2.976 357 HG22 VAL 46 HG22 VAL 46 -8.195 2.152 -1.629 358 HG23 VAL 46 HG23 VAL 46 -7.572 2.910 -3.113 359 H GLY 47 HN GLY 47 -11.140 5.883 -3.245 360 HA2 GLY 47 HA2 GLY 47 -11.901 4.050 -5.236 361 HA3 GLY 47 HA1 GLY 47 -12.790 5.491 -4.753 362 H SER 48 HN SER 48 -10.780 7.365 -5.393 363 HA SER 48 HA SER 48 -11.354 7.741 -8.142 364 HB2 SER 48 HB2 SER 48 -9.409 9.230 -6.363 365 HB3 SER 48 HB1 SER 48 -10.025 9.787 -7.921 366 HG SER 48 HG SER 48 -11.497 9.334 -5.530 367 H VAL 49 HN VAL 49 -8.560 6.543 -6.385 368 HA VAL 49 HA VAL 49 -6.991 6.453 -8.853 369 HB VAL 49 HB VAL 49 -5.064 5.845 -7.424 370 HG11 VAL 49 HG11 VAL 49 -6.593 8.234 -6.458 371 HG12 VAL 49 HG12 VAL 49 -5.505 8.189 -7.856 372 HG13 VAL 49 HG13 VAL 49 -4.867 7.966 -6.219 373 HG21 VAL 49 HG21 VAL 49 -6.312 4.652 -5.675 374 HG22 VAL 49 HG22 VAL 49 -6.980 6.194 -5.134 375 HG23 VAL 49 HG23 VAL 49 -5.247 5.891 -5.000 376 H ASN 50 HN ASN 50 -9.219 4.588 -7.666 377 HA ASN 50 HA ASN 50 -7.850 2.052 -7.704 378 HB2 ASN 50 HB2 ASN 50 -10.310 2.991 -6.642 379 HB3 ASN 50 HB1 ASN 50 -10.712 1.746 -7.816 380 HD21 ASN 50 HD21 ASN 50 -7.861 1.947 -5.761 381 HD22 ASN 50 HD22 ASN 50 -8.221 0.495 -4.900 382 H GLY 51 HN GLY 51 -9.524 0.346 -9.006 383 HA2 GLY 51 HA2 GLY 51 -9.350 1.189 -11.779 384 HA3 GLY 51 HA1 GLY 51 -9.661 -0.446 -11.192 385 H GLY 52 HN GLY 52 -11.061 2.728 -11.600 386 HA2 GLY 52 HA2 GLY 52 -13.228 3.173 -12.400 387 HA3 GLY 52 HA1 GLY 52 -13.662 1.504 -12.064 388 H ASN 53 HN ASN 53 -13.428 0.996 -9.607 389 HA ASN 53 HA ASN 53 -14.348 3.207 -7.966 390 HB2 ASN 53 HB2 ASN 53 -16.296 2.031 -7.125 391 HB3 ASN 53 HB1 ASN 53 -16.449 2.200 -8.871 392 HD21 ASN 53 HD21 ASN 53 -16.309 0.323 -10.152 393 HD22 ASN 53 HD22 ASN 53 -16.450 -1.253 -9.478 394 H ARG 54 HN ARG 54 -14.457 2.589 -5.755 395 HA ARG 54 HA ARG 54 -12.237 1.350 -4.681 396 HB2 ARG 54 HB2 ARG 54 -13.688 1.261 -2.563 397 HB3 ARG 54 HB1 ARG 54 -13.398 2.836 -3.297 398 HG2 ARG 54 HG2 ARG 54 -15.605 2.771 -4.357 399 HG3 ARG 54 HG1 ARG 54 -15.863 1.161 -3.718 400 HD2 ARG 54 HD2 ARG 54 -15.303 3.464 -1.916 401 HD3 ARG 54 HD1 ARG 54 -16.924 3.147 -2.542 402 HE ARG 54 HE ARG 54 -16.196 0.773 -1.571 403 HH11 ARG 54 HH11 ARG 54 -16.089 3.996 -0.120 404 HH12 ARG 54 HH12 ARG 54 -16.577 3.494 1.431 405 HH21 ARG 54 HH21 ARG 54 -16.931 0.060 0.551 406 HH22 ARG 54 HH22 ARG 54 -17.064 1.170 1.826 407 H THR 55 HN THR 55 -11.776 -0.686 -5.306 408 HA THR 55 HA THR 55 -13.460 -2.761 -4.164 409 HB THR 55 HB THR 55 -14.227 -2.549 -6.496 410 HG1 THR 55 HG1 THR 55 -12.877 -4.884 -5.688 411 HG21 THR 55 HG21 THR 55 -12.162 -1.754 -7.543 412 HG22 THR 55 HG22 THR 55 -12.748 -3.202 -8.364 413 HG23 THR 55 HG23 THR 55 -11.391 -3.310 -7.244 414 H VAL 56 HN VAL 56 -10.330 -1.561 -4.924 415 HA VAL 56 HA VAL 56 -9.178 -3.984 -3.806 416 HB VAL 56 HB VAL 56 -7.181 -3.660 -5.354 417 HG11 VAL 56 HG11 VAL 56 -8.707 -5.534 -5.614 418 HG12 VAL 56 HG12 VAL 56 -8.197 -4.941 -7.197 419 HG13 VAL 56 HG13 VAL 56 -9.798 -4.540 -6.575 420 HG21 VAL 56 HG21 VAL 56 -9.201 -2.109 -6.945 421 HG22 VAL 56 HG22 VAL 56 -7.601 -2.615 -7.502 422 HG23 VAL 56 HG23 VAL 56 -7.749 -1.452 -6.182 423 HA PRO 57 HA PRO 57 -7.006 -1.288 -1.148 424 HB2 PRO 57 HB2 PRO 57 -4.713 -2.735 -0.731 425 HB3 PRO 57 HB1 PRO 57 -6.256 -3.102 0.048 426 HG2 PRO 57 HG2 PRO 57 -4.989 -4.371 -2.333 427 HG3 PRO 57 HG1 PRO 57 -5.889 -5.127 -1.004 428 HD2 PRO 57 HD2 PRO 57 -6.973 -4.633 -3.442 429 HD3 PRO 57 HD1 PRO 57 -7.939 -4.620 -1.943 430 H THR 58 HN THR 58 -5.713 0.377 -1.373 431 HA THR 58 HA THR 58 -3.821 0.373 -3.610 432 HB THR 58 HB THR 58 -5.422 2.729 -2.587 433 HG1 THR 58 HG1 THR 58 -6.264 0.694 -3.838 434 HG21 THR 58 HG21 THR 58 -4.769 3.800 -4.643 435 HG22 THR 58 HG22 THR 58 -3.934 2.363 -5.194 436 HG23 THR 58 HG23 THR 58 -3.299 3.286 -3.804 437 H VAL 59 HN VAL 59 -1.813 1.179 -3.083 438 HA VAL 59 HA VAL 59 -1.430 1.881 -0.276 439 HB VAL 59 HB VAL 59 1.002 1.410 -0.700 440 HG11 VAL 59 HG11 VAL 59 0.737 -1.052 -0.819 441 HG12 VAL 59 HG12 VAL 59 -0.984 -0.804 -1.185 442 HG13 VAL 59 HG13 VAL 59 -0.301 -0.260 0.355 443 HG21 VAL 59 HG21 VAL 59 1.003 1.720 -3.101 444 HG22 VAL 59 HG22 VAL 59 -0.039 0.294 -3.274 445 HG23 VAL 59 HG23 VAL 59 1.614 0.114 -2.668 446 H LYS 60 HN LYS 60 -0.858 3.832 0.273 447 HA LYS 60 HA LYS 60 0.026 5.671 -1.849 448 HB2 LYS 60 HB2 LYS 60 -2.067 6.266 -0.573 449 HB3 LYS 60 HB1 LYS 60 -1.073 6.378 0.869 450 HG2 LYS 60 HG2 LYS 60 0.270 8.149 -0.207 451 HG3 LYS 60 HG1 LYS 60 -0.783 8.074 -1.614 452 HD2 LYS 60 HD2 LYS 60 -1.525 9.903 -0.300 453 HD3 LYS 60 HD1 LYS 60 -2.700 8.611 -0.066 454 HE2 LYS 60 HE2 LYS 60 -1.538 7.998 2.039 455 HE3 LYS 60 HE1 LYS 60 -0.465 9.379 1.792 456 HZ1 LYS 60 HZ1 LYS 60 -2.430 10.829 1.906 457 HZ2 LYS 60 HZ2 LYS 60 -2.276 9.898 3.322 458 HZ3 LYS 60 HZ3 LYS 60 -3.406 9.484 2.176 459 H PHE 61 HN PHE 61 2.116 5.972 -1.799 460 HA PHE 61 HA PHE 61 3.622 5.190 0.506 461 HB2 PHE 61 HB2 PHE 61 4.385 6.155 -2.211 462 HB3 PHE 61 HB1 PHE 61 5.572 5.931 -0.933 463 HD1 PHE 61 HD1 PHE 61 3.000 4.187 -2.932 464 HD2 PHE 61 HD2 PHE 61 6.406 3.826 -0.418 465 HE1 PHE 61 HE1 PHE 61 3.161 1.823 -3.484 466 HE2 PHE 61 HE2 PHE 61 6.571 1.458 -0.972 467 HZ PHE 61 HZ PHE 61 4.974 0.449 -2.494 468 H ALA 62 HN ALA 62 5.376 6.523 1.307 469 HA ALA 62 HA ALA 62 4.507 8.994 2.292 470 HB1 ALA 62 HB1 ALA 62 7.272 7.814 2.198 471 HB2 ALA 62 HB2 ALA 62 6.083 7.586 3.485 472 HB3 ALA 62 HB3 ALA 62 6.779 9.181 3.186 473 H ASP 63 HN ASP 63 5.884 8.205 -0.705 474 HA ASP 63 HA ASP 63 6.893 10.893 -1.162 475 HB2 ASP 63 HB2 ASP 63 7.615 10.143 -3.332 476 HB3 ASP 63 HB1 ASP 63 8.090 8.924 -2.159 477 H GLY 64 HN GLY 64 3.977 9.310 -1.248 478 HA2 GLY 64 HA2 GLY 64 1.986 10.517 -1.532 479 HA3 GLY 64 HA1 GLY 64 2.788 11.532 -2.722 480 H SER 65 HN SER 65 3.889 8.929 -3.983 481 HA SER 65 HA SER 65 1.741 8.738 -5.822 482 HB2 SER 65 HB2 SER 65 4.080 8.647 -6.574 483 HB3 SER 65 HB1 SER 65 4.318 7.149 -5.686 484 HG SER 65 HG SER 65 2.631 7.635 -7.886 485 H THR 66 HN THR 66 0.453 7.032 -6.342 486 HA THR 66 HA THR 66 -0.009 5.058 -4.248 487 HB THR 66 HB THR 66 -2.305 5.168 -5.604 488 HG1 THR 66 HG1 THR 66 -1.867 7.889 -5.615 489 HG21 THR 66 HG21 THR 66 -1.454 7.135 -3.476 490 HG22 THR 66 HG22 THR 66 -2.086 5.500 -3.210 491 HG23 THR 66 HG23 THR 66 -3.122 6.746 -3.902 492 H LEU 67 HN LEU 67 -0.284 2.939 -4.871 493 HA LEU 67 HA LEU 67 -0.257 2.341 -7.759 494 HB2 LEU 67 HB2 LEU 67 0.936 0.466 -5.684 495 HB3 LEU 67 HB1 LEU 67 0.964 0.321 -7.404 496 HG LEU 67 HG LEU 67 2.541 2.337 -5.815 497 HD11 LEU 67 HD11 LEU 67 3.368 -0.140 -7.312 498 HD12 LEU 67 HD12 LEU 67 3.315 -0.000 -5.570 499 HD13 LEU 67 HD13 LEU 67 4.462 0.972 -6.504 500 HD21 LEU 67 HD21 LEU 67 2.549 1.704 -8.764 501 HD22 LEU 67 HD22 LEU 67 3.642 2.817 -7.941 502 HD23 LEU 67 HD23 LEU 67 1.917 3.178 -8.029 503 H THR 68 HN THR 68 -2.011 1.236 -8.367 504 HA THR 68 HA THR 68 -4.017 0.316 -6.607 505 HB THR 68 HB THR 68 -3.544 -0.663 -9.439 506 HG1 THR 68 HG1 THR 68 -5.079 1.520 -9.486 507 HG21 THR 68 HG21 THR 68 -6.044 0.055 -7.890 508 HG22 THR 68 HG22 THR 68 -5.454 -1.580 -8.177 509 HG23 THR 68 HG23 THR 68 -6.003 -0.590 -9.533 510 H ASN 69 HN ASN 69 -4.311 -1.813 -5.779 511 HA ASN 69 HA ASN 69 -2.698 -3.227 -4.564 512 HB2 ASN 69 HB2 ASN 69 -3.726 -5.416 -4.939 513 HB3 ASN 69 HB1 ASN 69 -4.910 -4.147 -4.775 514 HD21 ASN 69 HD21 ASN 69 -5.164 -6.817 -5.953 515 HD22 ASN 69 HD22 ASN 69 -5.669 -6.577 -7.590 516 HA PRO 70 HA PRO 70 0.727 -4.264 -7.269 517 HB2 PRO 70 HB2 PRO 70 2.589 -3.235 -5.732 518 HB3 PRO 70 HB1 PRO 70 1.512 -2.166 -6.640 519 HG2 PRO 70 HG2 PRO 70 1.487 -2.872 -3.745 520 HG3 PRO 70 HG1 PRO 70 1.128 -1.322 -4.521 521 HD2 PRO 70 HD2 PRO 70 -0.722 -3.223 -3.641 522 HD3 PRO 70 HD1 PRO 70 -1.056 -1.861 -4.732 523 H SER 71 HN SER 71 2.603 -5.527 -6.897 524 HA SER 71 HA SER 71 2.215 -7.468 -4.770 525 HB2 SER 71 HB2 SER 71 2.646 -8.231 -7.126 526 HB3 SER 71 HB1 SER 71 4.228 -7.456 -7.039 527 HG SER 71 HG SER 71 4.465 -9.598 -6.543 528 H ALA 72 HN ALA 72 4.415 -8.193 -3.768 529 HA ALA 72 HA ALA 72 5.350 -5.972 -2.272 530 HB1 ALA 72 HB1 ALA 72 6.412 -8.802 -2.364 531 HB2 ALA 72 HB2 ALA 72 5.203 -8.140 -1.240 532 HB3 ALA 72 HB3 ALA 72 6.861 -7.571 -1.185 533 H ASP 73 HN ASP 73 6.633 -7.722 -4.963 534 HA ASP 73 HA ASP 73 9.205 -6.711 -5.233 535 HB2 ASP 73 HB2 ASP 73 8.479 -8.382 -6.752 536 HB3 ASP 73 HB1 ASP 73 7.111 -7.414 -7.279 537 H GLU 74 HN GLU 74 6.195 -5.333 -6.365 538 HA GLU 74 HA GLU 74 7.276 -3.075 -7.690 539 HB2 GLU 74 HB2 GLU 74 4.509 -3.565 -6.630 540 HB3 GLU 74 HB1 GLU 74 4.955 -2.312 -7.781 541 HG2 GLU 74 HG2 GLU 74 5.618 -4.010 -9.373 542 HG3 GLU 74 HG1 GLU 74 5.198 -5.273 -8.215 543 H VAL 75 HN VAL 75 5.648 -3.479 -4.581 544 HA VAL 75 HA VAL 75 5.831 -0.766 -3.933 545 HB VAL 75 HB VAL 75 5.476 -1.525 -1.501 546 HG11 VAL 75 HG11 VAL 75 3.110 -2.039 -1.951 547 HG12 VAL 75 HG12 VAL 75 3.522 -2.444 -3.610 548 HG13 VAL 75 HG13 VAL 75 3.637 -0.779 -3.073 549 HG21 VAL 75 HG21 VAL 75 4.683 -3.773 -1.192 550 HG22 VAL 75 HG22 VAL 75 6.325 -3.827 -1.873 551 HG23 VAL 75 HG23 VAL 75 4.906 -4.080 -2.906 552 H LYS 76 HN LYS 76 8.094 -3.382 -3.326 553 HA LYS 76 HA LYS 76 9.785 -1.873 -1.662 554 HB2 LYS 76 HB2 LYS 76 10.302 -4.258 -3.391 555 HB3 LYS 76 HB1 LYS 76 11.599 -3.450 -2.520 556 HG2 LYS 76 HG2 LYS 76 10.383 -3.850 -0.412 557 HG3 LYS 76 HG1 LYS 76 9.151 -4.716 -1.332 558 HD2 LYS 76 HD2 LYS 76 10.814 -6.213 -0.240 559 HD3 LYS 76 HD1 LYS 76 10.740 -6.395 -1.992 560 HE2 LYS 76 HE2 LYS 76 12.750 -5.101 -2.269 561 HE3 LYS 76 HE1 LYS 76 12.780 -4.678 -0.557 562 HZ1 LYS 76 HZ1 LYS 76 14.339 -6.426 -1.190 563 HZ2 LYS 76 HZ2 LYS 76 13.043 -7.437 -1.617 564 HZ3 LYS 76 HZ3 LYS 76 13.242 -6.917 -0.018 565 H ALA 77 HN ALA 77 9.516 -2.113 -5.134 566 HA ALA 77 HA ALA 77 11.918 -0.900 -5.867 567 HB1 ALA 77 HB1 ALA 77 9.252 -0.754 -7.279 568 HB2 ALA 77 HB2 ALA 77 10.445 -2.041 -7.460 569 HB3 ALA 77 HB3 ALA 77 10.821 -0.403 -7.999 570 H LYS 78 HN LYS 78 8.869 0.502 -4.895 571 HA LYS 78 HA LYS 78 9.863 3.167 -5.307 572 HB2 LYS 78 HB2 LYS 78 7.278 2.124 -4.230 573 HB3 LYS 78 HB1 LYS 78 7.711 3.824 -4.097 574 HG2 LYS 78 HG2 LYS 78 7.945 3.966 -6.521 575 HG3 LYS 78 HG1 LYS 78 7.517 2.260 -6.659 576 HD2 LYS 78 HD2 LYS 78 5.627 3.741 -7.142 577 HD3 LYS 78 HD1 LYS 78 5.338 2.700 -5.743 578 HE2 LYS 78 HE2 LYS 78 4.531 4.993 -5.371 579 HE3 LYS 78 HE1 LYS 78 5.795 4.555 -4.231 580 HZ1 LYS 78 HZ1 LYS 78 7.360 5.792 -5.707 581 HZ2 LYS 78 HZ2 LYS 78 6.218 6.732 -4.960 582 HZ3 LYS 78 HZ3 LYS 78 6.031 6.334 -6.599 583 H LEU 79 HN LEU 79 9.010 1.162 -2.515 584 HA LEU 79 HA LEU 79 9.428 3.012 -0.496 585 HB2 LEU 79 HB2 LEU 79 8.315 0.868 -0.156 586 HB3 LEU 79 HB1 LEU 79 9.826 0.033 -0.425 587 HG LEU 79 HG LEU 79 10.749 1.043 1.618 588 HD11 LEU 79 HD11 LEU 79 9.272 2.199 3.170 589 HD12 LEU 79 HD12 LEU 79 7.990 2.193 1.951 590 HD13 LEU 79 HD13 LEU 79 9.480 3.094 1.667 591 HD21 LEU 79 HD21 LEU 79 8.121 -0.375 1.989 592 HD22 LEU 79 HD22 LEU 79 9.386 -0.221 3.208 593 HD23 LEU 79 HD23 LEU 79 9.691 -1.141 1.731 594 H VAL 80 HN VAL 80 11.757 0.881 -2.057 595 HA VAL 80 HA VAL 80 13.840 1.301 -0.245 596 HB VAL 80 HB VAL 80 13.679 -0.536 -1.967 597 HG11 VAL 80 HG11 VAL 80 14.643 -0.203 -4.176 598 HG12 VAL 80 HG12 VAL 80 14.714 1.535 -3.869 599 HG13 VAL 80 HG13 VAL 80 13.153 0.713 -3.937 600 HG21 VAL 80 HG21 VAL 80 15.669 -0.285 -0.685 601 HG22 VAL 80 HG22 VAL 80 16.268 0.968 -1.774 602 HG23 VAL 80 HG23 VAL 80 16.116 -0.693 -2.342 603 H LYS 81 HN LYS 81 12.728 3.187 -2.964 604 HA LYS 81 HA LYS 81 15.074 4.858 -3.047 605 HB2 LYS 81 HB2 LYS 81 12.390 5.220 -4.388 606 HB3 LYS 81 HB1 LYS 81 13.787 6.237 -4.661 607 HG2 LYS 81 HG2 LYS 81 14.980 4.231 -5.548 608 HG3 LYS 81 HG1 LYS 81 13.467 3.332 -5.396 609 HD2 LYS 81 HD2 LYS 81 12.363 4.996 -6.882 610 HD3 LYS 81 HD1 LYS 81 13.903 5.821 -7.047 611 HE2 LYS 81 HE2 LYS 81 13.494 4.423 -8.982 612 HE3 LYS 81 HE1 LYS 81 14.872 3.812 -8.071 613 HZ1 LYS 81 HZ1 LYS 81 13.413 2.046 -8.796 614 HZ2 LYS 81 HZ2 LYS 81 12.107 2.716 -7.977 615 HZ3 LYS 81 HZ3 LYS 81 13.426 2.120 -7.117 616 H ILE 82 HN ILE 82 11.963 4.905 -1.506 617 HA ILE 82 HA ILE 82 11.870 7.709 -0.932 618 HB ILE 82 HB ILE 82 10.509 5.482 0.592 619 HG12 ILE 82 HG12 ILE 82 9.454 7.102 -1.725 620 HG13 ILE 82 HG11 ILE 82 9.986 5.423 -1.826 621 HG21 ILE 82 HG21 ILE 82 8.905 7.197 1.231 622 HG22 ILE 82 HG22 ILE 82 9.837 8.411 0.355 623 HG23 ILE 82 HG23 ILE 82 10.533 7.618 1.774 624 HD11 ILE 82 HD11 ILE 82 8.245 4.810 -0.223 625 HD12 ILE 82 HD12 ILE 82 7.600 5.536 -1.695 626 HD13 ILE 82 HD13 ILE 82 7.693 6.486 -0.209 627 H ALA 83 HN ALA 83 12.485 4.887 1.094 628 HA ALA 83 HA ALA 83 13.350 6.525 3.282 629 HB1 ALA 83 HB1 ALA 83 13.413 3.536 2.931 630 HB2 ALA 83 HB2 ALA 83 12.130 4.467 3.703 631 HB3 ALA 83 HB3 ALA 83 13.736 4.393 4.438 632 H GLY 84 HN GLY 84 14.834 4.951 0.615 633 HA2 GLY 84 HA2 GLY 84 17.000 4.930 -0.116 634 HA3 GLY 84 HA1 GLY 84 17.352 6.134 1.120 635 H LEU 85 HN LEU 85 16.148 2.856 1.434 636 HA LEU 85 HA LEU 85 17.972 2.341 3.594 637 HB2 LEU 85 HB2 LEU 85 16.192 0.404 2.108 638 HB3 LEU 85 HB1 LEU 85 17.016 0.094 3.616 639 HG LEU 85 HG LEU 85 14.842 2.143 3.244 640 HD11 LEU 85 HD11 LEU 85 14.014 -0.120 2.938 641 HD12 LEU 85 HD12 LEU 85 13.425 0.565 4.455 642 HD13 LEU 85 HD13 LEU 85 14.743 -0.612 4.468 643 HD21 LEU 85 HD21 LEU 85 16.183 1.070 5.730 644 HD22 LEU 85 HD22 LEU 85 14.817 2.185 5.700 645 HD23 LEU 85 HD23 LEU 85 16.381 2.691 5.062 646 H GLU 86 HN GLU 86 17.564 1.094 0.299 647 HA GLU 86 HA GLU 86 20.344 0.231 0.406 648 HB2 GLU 86 HB2 GLU 86 18.046 -1.267 -0.856 649 HB3 GLU 86 HB1 GLU 86 19.741 -1.728 -0.935 650 HG2 GLU 86 HG2 GLU 86 19.739 -1.969 1.526 651 HG3 GLU 86 HG1 GLU 86 18.021 -1.609 1.528 652 H HIS 87 HN HIS 87 21.481 0.811 -1.272 653 HA HIS 87 HA HIS 87 20.074 1.910 -3.584 654 HB2 HIS 87 HB2 HIS 87 21.768 3.419 -2.498 655 HB3 HIS 87 HB1 HIS 87 23.004 2.210 -2.820 656 HD1 HIS 87 HD1 HIS 87 20.712 4.625 -4.694 657 HD2 HIS 87 HD2 HIS 87 24.096 2.289 -5.315 658 HE1 HIS 87 HE1 HIS 87 21.604 5.270 -6.949 659 H HIS 88 HN HIS 88 22.647 -0.201 -2.525 660 HA HIS 88 HA HIS 88 22.806 -1.587 -5.053 661 HB2 HIS 88 HB2 HIS 88 24.816 -1.203 -3.585 662 HB3 HIS 88 HB1 HIS 88 24.073 -2.208 -2.356 663 HD1 HIS 88 HD1 HIS 88 26.088 -2.355 -5.440 664 HD2 HIS 88 HD2 HIS 88 23.981 -5.002 -3.035 665 HE1 HIS 88 HE1 HIS 88 26.925 -4.646 -6.038 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 13.654 7.939 6.888 2 H2 MET 1 HT2 MET 1 13.663 7.241 8.419 3 H3 MET 1 HT3 MET 1 14.663 8.534 8.094 4 HA MET 1 HA MET 1 12.802 9.120 9.444 5 HB2 MET 1 HB2 MET 1 12.010 11.076 8.101 6 HB3 MET 1 HB1 MET 1 13.748 10.906 8.186 7 HG2 MET 1 HG2 MET 1 13.167 11.595 5.977 8 HG3 MET 1 HG1 MET 1 13.708 9.927 5.896 9 HE1 MET 1 HE1 MET 1 12.154 11.413 3.535 10 HE2 MET 1 HE2 MET 1 11.017 10.158 3.042 11 HE3 MET 1 HE3 MET 1 12.682 9.732 3.435 12 H VAL 2 HN VAL 2 11.925 6.786 7.239 13 HA VAL 2 HA VAL 2 9.170 7.683 7.146 14 HB VAL 2 HB VAL 2 8.662 5.704 5.738 15 HG11 VAL 2 HG11 VAL 2 9.842 6.430 3.720 16 HG12 VAL 2 HG12 VAL 2 10.941 7.379 4.719 17 HG13 VAL 2 HG13 VAL 2 9.227 7.790 4.661 18 HG21 VAL 2 HG21 VAL 2 11.639 5.190 5.777 19 HG22 VAL 2 HG22 VAL 2 10.448 4.321 4.809 20 HG23 VAL 2 HG23 VAL 2 10.421 4.189 6.567 21 H THR 3 HN THR 3 8.500 7.871 8.871 22 HA THR 3 HA THR 3 8.198 5.806 10.744 23 HB THR 3 HB THR 3 6.356 8.146 10.405 24 HG1 THR 3 HG1 THR 3 8.100 9.308 11.514 25 HG21 THR 3 HG21 THR 3 7.854 6.909 12.636 26 HG22 THR 3 HG22 THR 3 6.156 6.570 12.224 27 HG23 THR 3 HG23 THR 3 6.642 8.194 12.801 28 H ALA 4 HN ALA 4 6.197 7.364 8.288 29 HA ALA 4 HA ALA 4 4.422 5.045 8.177 30 HB1 ALA 4 HB1 ALA 4 2.983 6.529 6.797 31 HB2 ALA 4 HB2 ALA 4 4.157 7.829 6.990 32 HB3 ALA 4 HB3 ALA 4 3.275 7.222 8.392 33 H ALA 5 HN ALA 5 4.969 3.669 6.698 34 HA ALA 5 HA ALA 5 7.041 4.381 4.748 35 HB1 ALA 5 HB1 ALA 5 5.737 1.729 5.363 36 HB2 ALA 5 HB2 ALA 5 7.270 2.297 6.020 37 HB3 ALA 5 HB3 ALA 5 7.113 1.966 4.294 38 H LEU 6 HN LEU 6 4.036 2.575 4.554 39 HA LEU 6 HA LEU 6 3.063 4.223 2.527 40 HB2 LEU 6 HB2 LEU 6 2.752 2.496 0.769 41 HB3 LEU 6 HB1 LEU 6 4.429 2.887 1.022 42 HG LEU 6 HG LEU 6 4.348 0.624 0.533 43 HD11 LEU 6 HD11 LEU 6 5.870 0.934 2.247 44 HD12 LEU 6 HD12 LEU 6 5.072 -0.626 2.465 45 HD13 LEU 6 HD13 LEU 6 4.624 0.752 3.475 46 HD21 LEU 6 HD21 LEU 6 2.054 0.211 0.702 47 HD22 LEU 6 HD22 LEU 6 2.092 0.299 2.467 48 HD23 LEU 6 HD23 LEU 6 2.914 -1.031 1.619 49 H THR 7 HN THR 7 0.980 4.225 2.435 50 HA THR 7 HA THR 7 -0.242 2.704 4.595 51 HB THR 7 HB THR 7 -1.273 5.211 3.270 52 HG1 THR 7 HG1 THR 7 0.458 4.791 5.501 53 HG21 THR 7 HG21 THR 7 -2.926 3.857 4.508 54 HG22 THR 7 HG22 THR 7 -2.611 5.381 5.332 55 HG23 THR 7 HG23 THR 7 -1.881 3.887 5.926 56 H ILE 8 HN ILE 8 -1.530 1.215 4.133 57 HA ILE 8 HA ILE 8 -2.545 0.703 1.486 58 HB ILE 8 HB ILE 8 -2.575 -0.795 4.099 59 HG12 ILE 8 HG12 ILE 8 -1.143 -1.404 1.516 60 HG13 ILE 8 HG11 ILE 8 -0.394 -0.674 2.935 61 HG21 ILE 8 HG21 ILE 8 -3.746 -1.669 1.483 62 HG22 ILE 8 HG22 ILE 8 -4.559 -1.307 3.020 63 HG23 ILE 8 HG23 ILE 8 -3.487 -2.707 2.905 64 HD11 ILE 8 HD11 ILE 8 -0.877 -2.711 4.203 65 HD12 ILE 8 HD12 ILE 8 0.109 -3.039 2.776 66 HD13 ILE 8 HD13 ILE 8 -1.614 -3.420 2.766 67 H TYR 9 HN TYR 9 -4.462 1.318 0.895 68 HA TYR 9 HA TYR 9 -6.527 1.935 2.874 69 HB2 TYR 9 HB2 TYR 9 -6.349 2.518 -0.081 70 HB3 TYR 9 HB1 TYR 9 -7.761 2.869 0.908 71 HD1 TYR 9 HD1 TYR 9 -7.166 4.274 3.094 72 HD2 TYR 9 HD2 TYR 9 -4.902 4.245 -0.499 73 HE1 TYR 9 HE1 TYR 9 -6.247 6.465 3.671 74 HE2 TYR 9 HE2 TYR 9 -3.970 6.444 0.067 75 HH TYR 9 HH TYR 9 -4.721 8.405 1.477 76 H THR 10 HN THR 10 -7.710 0.286 3.445 77 HA THR 10 HA THR 10 -9.203 -1.112 1.503 78 HB THR 10 HB THR 10 -7.041 -2.459 1.414 79 HG1 THR 10 HG1 THR 10 -8.667 -4.258 2.663 80 HG21 THR 10 HG21 THR 10 -6.344 -2.061 3.762 81 HG22 THR 10 HG22 THR 10 -6.385 -3.778 3.361 82 HG23 THR 10 HG23 THR 10 -7.689 -3.061 4.306 83 H THR 11 HN THR 11 -10.646 -2.642 2.619 84 HA THR 11 HA THR 11 -10.849 -2.408 5.457 85 HB THR 11 HB THR 11 -13.142 -1.766 3.549 86 HG1 THR 11 HG1 THR 11 -12.232 -0.430 5.853 87 HG21 THR 11 HG21 THR 11 -13.339 -2.202 6.549 88 HG22 THR 11 HG22 THR 11 -14.009 -3.280 5.323 89 HG23 THR 11 HG23 THR 11 -14.640 -1.641 5.495 90 H SER 12 HN SER 12 -12.149 -4.210 6.326 91 HA SER 12 HA SER 12 -11.304 -6.651 5.749 92 HB2 SER 12 HB2 SER 12 -13.968 -5.878 6.811 93 HB3 SER 12 HB1 SER 12 -13.008 -7.312 7.264 94 HG SER 12 HG SER 12 -11.590 -6.012 8.302 95 H TRP 13 HN TRP 13 -13.765 -5.026 3.848 96 HA TRP 13 HA TRP 13 -15.070 -7.418 2.979 97 HB2 TRP 13 HB2 TRP 13 -16.262 -5.932 1.342 98 HB3 TRP 13 HB1 TRP 13 -16.417 -5.420 3.013 99 HD1 TRP 13 HD1 TRP 13 -15.677 -3.007 3.575 100 HE1 TRP 13 HE1 TRP 13 -14.704 -1.044 2.245 101 HE3 TRP 13 HE3 TRP 13 -14.596 -5.441 -0.795 102 HZ2 TRP 13 HZ2 TRP 13 -13.623 -0.583 -0.320 103 HZ3 TRP 13 HZ3 TRP 13 -13.599 -4.159 -2.636 104 HH2 TRP 13 HH2 TRP 13 -13.122 -1.774 -2.400 105 H CYS 14 HN CYS 14 -12.160 -5.918 2.114 106 HA CYS 14 HA CYS 14 -12.309 -6.887 -0.610 107 HB2 CYS 14 HB2 CYS 14 -11.342 -4.635 -0.173 108 HB3 CYS 14 HB1 CYS 14 -10.047 -5.401 0.738 109 HG CYS 14 HG CYS 14 -10.436 -5.088 -2.572 110 H GLY 15 HN GLY 15 -11.647 -8.794 -1.138 111 HA2 GLY 15 HA2 GLY 15 -10.457 -10.593 0.717 112 HA3 GLY 15 HA1 GLY 15 -10.771 -10.912 -0.983 113 H TYR 16 HN TYR 16 -9.183 -8.604 -1.869 114 HA TYR 16 HA TYR 16 -6.683 -9.946 -1.900 115 HB2 TYR 16 HB2 TYR 16 -7.470 -7.279 -3.007 116 HB3 TYR 16 HB1 TYR 16 -5.812 -7.866 -3.081 117 HD1 TYR 16 HD2 TYR 16 -6.236 -10.740 -3.648 118 HD2 TYR 16 HD1 TYR 16 -8.186 -7.294 -5.207 119 HE1 TYR 16 HE2 TYR 16 -6.769 -11.971 -5.669 120 HE2 TYR 16 HE1 TYR 16 -8.734 -8.542 -7.261 121 HH TYR 16 HH TYR 16 -8.420 -11.890 -7.429 122 H CYS 17 HN CYS 17 -7.976 -7.912 0.359 123 HA CYS 17 HA CYS 17 -5.826 -6.417 1.250 124 HB2 CYS 17 HB2 CYS 17 -8.027 -6.095 2.183 125 HB3 CYS 17 HB1 CYS 17 -8.034 -7.736 2.822 126 HG CYS 17 HG CYS 17 -7.697 -6.089 5.007 127 H LEU 18 HN LEU 18 -6.834 -9.637 2.264 128 HA LEU 18 HA LEU 18 -4.609 -9.928 3.959 129 HB2 LEU 18 HB2 LEU 18 -5.433 -12.321 4.142 130 HB3 LEU 18 HB1 LEU 18 -6.466 -11.034 4.726 131 HG LEU 18 HG LEU 18 -7.701 -11.232 2.516 132 HD11 LEU 18 HD11 LEU 18 -7.559 -13.347 1.352 133 HD12 LEU 18 HD12 LEU 18 -6.148 -13.790 2.333 134 HD13 LEU 18 HD13 LEU 18 -6.084 -12.389 1.252 135 HD21 LEU 18 HD21 LEU 18 -8.997 -13.157 3.277 136 HD22 LEU 18 HD22 LEU 18 -8.621 -12.013 4.564 137 HD23 LEU 18 HD23 LEU 18 -7.725 -13.531 4.445 138 H ARG 19 HN ARG 19 -5.054 -10.670 0.631 139 HA ARG 19 HA ARG 19 -2.867 -12.503 0.476 140 HB2 ARG 19 HB2 ARG 19 -4.123 -10.811 -1.677 141 HB3 ARG 19 HB1 ARG 19 -2.891 -12.018 -1.986 142 HG2 ARG 19 HG2 ARG 19 -5.679 -12.516 -0.936 143 HG3 ARG 19 HG1 ARG 19 -5.053 -12.938 -2.526 144 HD2 ARG 19 HD2 ARG 19 -4.157 -14.103 0.126 145 HD3 ARG 19 HD1 ARG 19 -5.121 -14.908 -1.104 146 HE ARG 19 HE ARG 19 -2.833 -14.182 -2.396 147 HH11 ARG 19 HH11 ARG 19 -3.409 -16.097 0.545 148 HH12 ARG 19 HH12 ARG 19 -2.095 -17.145 0.273 149 HH21 ARG 19 HH21 ARG 19 -1.059 -15.664 -2.739 150 HH22 ARG 19 HH22 ARG 19 -0.766 -16.918 -1.622 151 H LEU 20 HN LEU 20 -3.288 -9.071 -0.084 152 HA LEU 20 HA LEU 20 -0.666 -8.436 -0.741 153 HB2 LEU 20 HB2 LEU 20 -2.434 -6.905 -1.169 154 HB3 LEU 20 HB1 LEU 20 -2.894 -6.861 0.518 155 HG LEU 20 HG LEU 20 -0.799 -5.743 1.044 156 HD11 LEU 20 HD11 LEU 20 0.553 -4.749 -0.786 157 HD12 LEU 20 HD12 LEU 20 -0.413 -5.635 -1.960 158 HD13 LEU 20 HD13 LEU 20 0.597 -6.507 -0.808 159 HD21 LEU 20 HD21 LEU 20 -1.429 -3.590 0.201 160 HD22 LEU 20 HD22 LEU 20 -2.879 -4.510 0.621 161 HD23 LEU 20 HD23 LEU 20 -2.390 -4.335 -1.071 162 H LYS 21 HN LYS 21 -2.327 -8.482 2.399 163 HA LYS 21 HA LYS 21 -0.263 -7.543 4.032 164 HB2 LYS 21 HB2 LYS 21 -2.259 -9.706 4.737 165 HB3 LYS 21 HB1 LYS 21 -1.305 -8.788 5.883 166 HG2 LYS 21 HG2 LYS 21 -3.463 -7.687 4.081 167 HG3 LYS 21 HG1 LYS 21 -3.604 -8.020 5.802 168 HD2 LYS 21 HD2 LYS 21 -1.867 -6.342 6.258 169 HD3 LYS 21 HD1 LYS 21 -1.766 -5.998 4.531 170 HE2 LYS 21 HE2 LYS 21 -3.151 -4.335 5.666 171 HE3 LYS 21 HE1 LYS 21 -4.102 -5.280 4.525 172 HZ1 LYS 21 HZ1 LYS 21 -3.992 -5.819 7.436 173 HZ2 LYS 21 HZ2 LYS 21 -5.082 -6.508 6.356 174 HZ3 LYS 21 HZ3 LYS 21 -5.160 -4.869 6.735 175 H THR 22 HN THR 22 -1.007 -10.872 3.093 176 HA THR 22 HA THR 22 1.035 -12.163 4.472 177 HB THR 22 HB THR 22 -0.273 -12.979 1.859 178 HG1 THR 22 HG1 THR 22 -1.918 -12.762 3.300 179 HG21 THR 22 HG21 THR 22 1.069 -14.644 4.010 180 HG22 THR 22 HG22 THR 22 1.719 -14.328 2.402 181 HG23 THR 22 HG23 THR 22 0.244 -15.278 2.586 182 H ALA 23 HN ALA 23 0.959 -10.832 1.177 183 HA ALA 23 HA ALA 23 3.482 -11.759 0.372 184 HB1 ALA 23 HB1 ALA 23 1.776 -10.993 -1.202 185 HB2 ALA 23 HB2 ALA 23 3.296 -10.131 -1.442 186 HB3 ALA 23 HB3 ALA 23 1.959 -9.345 -0.604 187 H LEU 24 HN LEU 24 2.466 -8.750 1.934 188 HA LEU 24 HA LEU 24 5.086 -7.577 1.810 189 HB2 LEU 24 HB2 LEU 24 2.796 -6.829 3.616 190 HB3 LEU 24 HB1 LEU 24 4.234 -5.881 3.369 191 HG LEU 24 HG LEU 24 1.976 -6.359 1.447 192 HD11 LEU 24 HD11 LEU 24 3.110 -3.890 2.715 193 HD12 LEU 24 HD12 LEU 24 1.593 -4.665 3.140 194 HD13 LEU 24 HD13 LEU 24 1.796 -3.904 1.549 195 HD21 LEU 24 HD21 LEU 24 3.958 -6.396 0.058 196 HD22 LEU 24 HD22 LEU 24 4.607 -4.984 0.905 197 HD23 LEU 24 HD23 LEU 24 3.172 -4.834 -0.090 198 H THR 25 HN THR 25 3.315 -9.206 4.410 199 HA THR 25 HA THR 25 5.325 -8.886 6.302 200 HB THR 25 HB THR 25 3.251 -11.091 6.045 201 HG1 THR 25 HG1 THR 25 3.304 -8.486 7.058 202 HG21 THR 25 HG21 THR 25 4.810 -10.196 8.496 203 HG22 THR 25 HG22 THR 25 5.075 -11.705 7.625 204 HG23 THR 25 HG23 THR 25 3.546 -11.424 8.460 205 H ALA 26 HN ALA 26 4.894 -11.336 3.804 206 HA ALA 26 HA ALA 26 6.908 -13.116 4.589 207 HB1 ALA 26 HB1 ALA 26 5.185 -13.618 2.906 208 HB2 ALA 26 HB2 ALA 26 6.817 -13.969 2.335 209 HB3 ALA 26 HB3 ALA 26 5.986 -12.517 1.784 210 H ASN 27 HN ASN 27 7.067 -10.161 2.698 211 HA ASN 27 HA ASN 27 9.938 -10.599 2.279 212 HB2 ASN 27 HB2 ASN 27 7.991 -8.748 0.916 213 HB3 ASN 27 HB1 ASN 27 9.730 -8.550 0.744 214 HD21 ASN 27 HD21 ASN 27 6.988 -10.596 0.042 215 HD22 ASN 27 HD22 ASN 27 7.779 -11.538 -1.171 216 H ARG 28 HN ARG 28 8.182 -9.481 4.563 217 HA ARG 28 HA ARG 28 8.539 -8.303 6.423 218 HB2 ARG 28 HB2 ARG 28 11.372 -7.976 5.424 219 HB3 ARG 28 HB1 ARG 28 10.828 -7.766 7.082 220 HG2 ARG 28 HG2 ARG 28 10.880 -10.340 5.505 221 HG3 ARG 28 HG1 ARG 28 11.924 -9.905 6.854 222 HD2 ARG 28 HD2 ARG 28 10.005 -9.903 8.359 223 HD3 ARG 28 HD1 ARG 28 8.925 -10.255 7.009 224 HE ARG 28 HE ARG 28 11.062 -12.136 7.450 225 HH11 ARG 28 HH11 ARG 28 7.638 -11.406 7.895 226 HH12 ARG 28 HH12 ARG 28 7.221 -12.989 8.411 227 HH21 ARG 28 HH21 ARG 28 10.466 -14.293 8.166 228 HH22 ARG 28 HH22 ARG 28 8.850 -14.640 8.581 229 H ILE 29 HN ILE 29 7.479 -6.857 4.196 230 HA ILE 29 HA ILE 29 8.671 -4.220 4.336 231 HB ILE 29 HB ILE 29 6.051 -5.104 3.067 232 HG12 ILE 29 HG12 ILE 29 7.210 -4.171 0.957 233 HG13 ILE 29 HG11 ILE 29 8.680 -4.234 1.912 234 HG21 ILE 29 HG21 ILE 29 5.780 -2.847 2.142 235 HG22 ILE 29 HG22 ILE 29 7.150 -2.311 3.121 236 HG23 ILE 29 HG23 ILE 29 5.685 -2.879 3.906 237 HD11 ILE 29 HD11 ILE 29 6.896 -6.543 1.281 238 HD12 ILE 29 HD12 ILE 29 8.440 -6.606 2.159 239 HD13 ILE 29 HD13 ILE 29 8.390 -6.109 0.458 240 H ALA 30 HN ALA 30 8.325 -2.785 5.837 241 HA ALA 30 HA ALA 30 6.305 -3.109 7.847 242 HB1 ALA 30 HB1 ALA 30 8.189 -0.834 7.201 243 HB2 ALA 30 HB2 ALA 30 8.467 -2.095 8.404 244 HB3 ALA 30 HB3 ALA 30 7.176 -0.913 8.642 245 H TYR 31 HN TYR 31 4.253 -2.326 7.629 246 HA TYR 31 HA TYR 31 3.798 -0.308 5.557 247 HB2 TYR 31 HB2 TYR 31 1.830 -1.492 4.734 248 HB3 TYR 31 HB1 TYR 31 3.285 -2.447 4.507 249 HD1 TYR 31 HD2 TYR 31 0.116 -2.152 6.339 250 HD2 TYR 31 HD1 TYR 31 3.539 -4.583 5.665 251 HE1 TYR 31 HE2 TYR 31 -1.031 -4.044 7.393 252 HE2 TYR 31 HE1 TYR 31 2.390 -6.496 6.719 253 HH TYR 31 HH TYR 31 0.551 -6.955 8.254 254 H ASP 32 HN ASP 32 1.771 0.700 5.660 255 HA ASP 32 HA ASP 32 0.705 0.930 8.379 256 HB2 ASP 32 HB2 ASP 32 1.271 2.940 6.218 257 HB3 ASP 32 HB1 ASP 32 0.083 3.297 7.471 258 H GLU 33 HN GLU 33 -1.582 0.922 8.457 259 HA GLU 33 HA GLU 33 -2.986 0.864 5.891 260 HB2 GLU 33 HB2 GLU 33 -4.300 -1.073 6.525 261 HB3 GLU 33 HB1 GLU 33 -2.599 -1.498 6.492 262 HG2 GLU 33 HG2 GLU 33 -2.533 -1.372 8.931 263 HG3 GLU 33 HG1 GLU 33 -4.239 -0.927 8.949 264 H VAL 34 HN VAL 34 -4.972 1.782 5.988 265 HA VAL 34 HA VAL 34 -6.060 2.367 8.596 266 HB VAL 34 HB VAL 34 -4.794 4.418 7.954 267 HG11 VAL 34 HG11 VAL 34 -6.623 4.574 5.584 268 HG12 VAL 34 HG12 VAL 34 -4.873 4.280 5.560 269 HG13 VAL 34 HG13 VAL 34 -5.504 5.824 6.114 270 HG21 VAL 34 HG21 VAL 34 -6.599 6.049 8.223 271 HG22 VAL 34 HG22 VAL 34 -6.753 4.681 9.330 272 HG23 VAL 34 HG23 VAL 34 -7.776 4.780 7.895 273 H ASP 35 HN ASP 35 -8.328 2.491 8.597 274 HA ASP 35 HA ASP 35 -9.402 0.894 6.475 275 HB2 ASP 35 HB2 ASP 35 -9.987 0.568 8.864 276 HB3 ASP 35 HB1 ASP 35 -10.760 2.146 8.867 277 H ILE 36 HN ILE 36 -10.857 1.498 4.981 278 HA ILE 36 HA ILE 36 -10.881 4.302 4.314 279 HB ILE 36 HB ILE 36 -11.961 3.583 2.193 280 HG12 ILE 36 HG12 ILE 36 -11.643 0.844 3.422 281 HG13 ILE 36 HG11 ILE 36 -13.156 1.648 3.069 282 HG21 ILE 36 HG21 ILE 36 -9.562 3.776 2.327 283 HG22 ILE 36 HG22 ILE 36 -9.977 2.351 1.356 284 HG23 ILE 36 HG23 ILE 36 -9.443 2.161 3.021 285 HD11 ILE 36 HD11 ILE 36 -11.137 0.785 1.037 286 HD12 ILE 36 HD12 ILE 36 -12.782 1.422 0.731 287 HD13 ILE 36 HD13 ILE 36 -12.541 -0.125 1.573 288 H GLU 37 HN GLU 37 -13.093 2.015 5.658 289 HA GLU 37 HA GLU 37 -15.349 3.547 4.929 290 HB2 GLU 37 HB2 GLU 37 -15.436 1.087 5.260 291 HB3 GLU 37 HB1 GLU 37 -15.084 1.316 6.962 292 HG2 GLU 37 HG2 GLU 37 -17.474 0.858 6.438 293 HG3 GLU 37 HG1 GLU 37 -17.193 2.350 7.336 294 H HIS 38 HN HIS 38 -13.099 3.339 7.472 295 HA HIS 38 HA HIS 38 -14.351 5.013 9.399 296 HB2 HIS 38 HB2 HIS 38 -12.462 3.562 10.002 297 HB3 HIS 38 HB1 HIS 38 -11.412 4.441 8.901 298 HD1 HIS 38 HD1 HIS 38 -10.028 6.274 10.004 299 HD2 HIS 38 HD2 HIS 38 -13.446 5.307 12.166 300 HE1 HIS 38 HE1 HIS 38 -9.922 7.617 12.116 301 H ASN 39 HN ASN 39 -11.975 5.668 6.828 302 HA ASN 39 HA ASN 39 -12.450 8.532 7.243 303 HB2 ASN 39 HB2 ASN 39 -10.166 7.110 5.878 304 HB3 ASN 39 HB1 ASN 39 -10.403 8.843 5.751 305 HD21 ASN 39 HD21 ASN 39 -8.181 7.411 6.825 306 HD22 ASN 39 HD22 ASN 39 -8.023 7.917 8.472 307 H ARG 40 HN ARG 40 -14.181 9.022 6.158 308 HA ARG 40 HA ARG 40 -15.203 7.844 3.850 309 HB2 ARG 40 HB2 ARG 40 -16.380 9.338 5.501 310 HB3 ARG 40 HB1 ARG 40 -15.614 10.693 4.699 311 HG2 ARG 40 HG2 ARG 40 -17.735 10.618 3.813 312 HG3 ARG 40 HG1 ARG 40 -16.740 9.864 2.572 313 HD2 ARG 40 HD2 ARG 40 -18.462 8.384 4.604 314 HD3 ARG 40 HD1 ARG 40 -18.873 8.696 2.941 315 HE ARG 40 HE ARG 40 -16.848 7.358 2.359 316 HH11 ARG 40 HH11 ARG 40 -18.580 6.731 5.406 317 HH12 ARG 40 HH12 ARG 40 -18.315 5.046 5.333 318 HH21 ARG 40 HH21 ARG 40 -16.490 5.034 2.347 319 HH22 ARG 40 HH22 ARG 40 -17.121 4.077 3.617 320 H ALA 41 HN ALA 41 -13.062 10.648 4.159 321 HA ALA 41 HA ALA 41 -13.189 11.309 1.373 322 HB1 ALA 41 HB1 ALA 41 -12.605 12.996 3.094 323 HB2 ALA 41 HB2 ALA 41 -11.393 12.877 1.821 324 HB3 ALA 41 HB3 ALA 41 -11.091 12.138 3.390 325 H ALA 42 HN ALA 42 -11.122 9.341 3.365 326 HA ALA 42 HA ALA 42 -9.129 8.877 1.394 327 HB1 ALA 42 HB1 ALA 42 -9.906 7.119 3.722 328 HB2 ALA 42 HB2 ALA 42 -8.718 8.418 3.781 329 HB3 ALA 42 HB3 ALA 42 -8.423 6.990 2.783 330 H ALA 43 HN ALA 43 -12.114 7.244 2.302 331 HA ALA 43 HA ALA 43 -11.946 5.060 0.528 332 HB1 ALA 43 HB1 ALA 43 -14.367 4.858 0.830 333 HB2 ALA 43 HB2 ALA 43 -14.398 6.460 1.571 334 HB3 ALA 43 HB3 ALA 43 -13.552 5.138 2.370 335 H GLU 44 HN GLU 44 -12.910 8.367 0.096 336 HA GLU 44 HA GLU 44 -14.067 7.967 -2.479 337 HB2 GLU 44 HB2 GLU 44 -14.513 9.912 -0.875 338 HB3 GLU 44 HB1 GLU 44 -12.962 10.556 -1.397 339 HG2 GLU 44 HG2 GLU 44 -14.715 11.607 -2.651 340 HG3 GLU 44 HG1 GLU 44 -13.776 10.546 -3.709 341 H PHE 45 HN PHE 45 -11.020 9.233 -1.233 342 HA PHE 45 HA PHE 45 -9.617 9.732 -3.541 343 HB2 PHE 45 HB2 PHE 45 -8.782 10.388 -1.372 344 HB3 PHE 45 HB1 PHE 45 -8.657 8.712 -0.867 345 HD1 PHE 45 HD1 PHE 45 -7.255 11.217 -3.215 346 HD2 PHE 45 HD2 PHE 45 -6.689 7.488 -1.234 347 HE1 PHE 45 HE1 PHE 45 -4.910 11.185 -3.950 348 HE2 PHE 45 HE2 PHE 45 -4.349 7.455 -1.960 349 HZ PHE 45 HZ PHE 45 -3.453 9.302 -3.325 350 H VAL 46 HN VAL 46 -9.533 6.683 -1.669 351 HA VAL 46 HA VAL 46 -7.935 5.340 -3.554 352 HB VAL 46 HB VAL 46 -7.991 4.461 -1.285 353 HG11 VAL 46 HG11 VAL 46 -9.873 3.293 -0.429 354 HG12 VAL 46 HG12 VAL 46 -10.825 3.764 -1.852 355 HG13 VAL 46 HG13 VAL 46 -10.248 5.008 -0.697 356 HG21 VAL 46 HG21 VAL 46 -8.281 2.133 -1.635 357 HG22 VAL 46 HG22 VAL 46 -7.615 2.876 -3.114 358 HG23 VAL 46 HG23 VAL 46 -9.325 2.448 -3.017 359 H GLY 47 HN GLY 47 -11.309 5.920 -3.465 360 HA2 GLY 47 HA2 GLY 47 -12.078 3.883 -5.321 361 HA3 GLY 47 HA1 GLY 47 -13.024 5.303 -4.886 362 H SER 48 HN SER 48 -11.116 7.254 -5.591 363 HA SER 48 HA SER 48 -11.622 7.434 -8.384 364 HB2 SER 48 HB2 SER 48 -9.913 9.178 -6.602 365 HB3 SER 48 HB1 SER 48 -10.516 9.601 -8.206 366 HG SER 48 HG SER 48 -12.558 8.796 -6.702 367 H VAL 49 HN VAL 49 -8.820 6.609 -6.421 368 HA VAL 49 HA VAL 49 -7.121 6.574 -8.800 369 HB VAL 49 HB VAL 49 -5.220 6.195 -7.297 370 HG11 VAL 49 HG11 VAL 49 -7.039 8.374 -6.360 371 HG12 VAL 49 HG12 VAL 49 -5.917 8.473 -7.723 372 HG13 VAL 49 HG13 VAL 49 -5.299 8.306 -6.067 373 HG21 VAL 49 HG21 VAL 49 -6.396 4.834 -5.603 374 HG22 VAL 49 HG22 VAL 49 -7.227 6.300 -5.066 375 HG23 VAL 49 HG23 VAL 49 -5.480 6.165 -4.879 376 H ASN 50 HN ASN 50 -9.252 4.569 -7.923 377 HA ASN 50 HA ASN 50 -7.655 2.140 -7.728 378 HB2 ASN 50 HB2 ASN 50 -10.233 2.869 -6.853 379 HB3 ASN 50 HB1 ASN 50 -10.464 1.634 -8.086 380 HD21 ASN 50 HD21 ASN 50 -7.833 2.019 -5.797 381 HD22 ASN 50 HD22 ASN 50 -8.102 0.515 -5.003 382 H GLY 51 HN GLY 51 -8.902 0.292 -9.087 383 HA2 GLY 51 HA2 GLY 51 -8.601 0.992 -11.866 384 HA3 GLY 51 HA1 GLY 51 -8.994 -0.602 -11.214 385 H GLY 52 HN GLY 52 -10.341 2.616 -11.514 386 HA2 GLY 52 HA2 GLY 52 -12.371 3.103 -12.647 387 HA3 GLY 52 HA1 GLY 52 -12.893 1.448 -12.364 388 H ASN 53 HN ASN 53 -12.877 0.974 -9.867 389 HA ASN 53 HA ASN 53 -14.060 3.157 -8.317 390 HB2 ASN 53 HB2 ASN 53 -15.940 2.060 -9.539 391 HB3 ASN 53 HB1 ASN 53 -15.445 0.512 -8.863 392 HD21 ASN 53 HD21 ASN 53 -17.313 0.177 -7.816 393 HD22 ASN 53 HD22 ASN 53 -17.851 1.087 -6.450 394 H ARG 54 HN ARG 54 -14.213 2.456 -6.018 395 HA ARG 54 HA ARG 54 -11.840 1.088 -5.285 396 HB2 ARG 54 HB2 ARG 54 -12.455 1.245 -2.937 397 HB3 ARG 54 HB1 ARG 54 -12.792 2.773 -3.712 398 HG2 ARG 54 HG2 ARG 54 -14.928 0.712 -3.204 399 HG3 ARG 54 HG1 ARG 54 -14.461 1.916 -2.006 400 HD2 ARG 54 HD2 ARG 54 -15.470 2.524 -4.780 401 HD3 ARG 54 HD1 ARG 54 -16.443 2.560 -3.312 402 HE ARG 54 HE ARG 54 -14.296 4.145 -2.783 403 HH11 ARG 54 HH11 ARG 54 -16.774 4.213 -5.335 404 HH12 ARG 54 HH12 ARG 54 -16.900 5.909 -5.321 405 HH21 ARG 54 HH21 ARG 54 -14.418 6.377 -2.841 406 HH22 ARG 54 HH22 ARG 54 -15.476 7.224 -3.879 407 H THR 55 HN THR 55 -11.430 -0.860 -5.378 408 HA THR 55 HA THR 55 -13.193 -2.838 -4.284 409 HB THR 55 HB THR 55 -14.020 -2.643 -6.617 410 HG1 THR 55 HG1 THR 55 -13.926 -4.817 -7.121 411 HG21 THR 55 HG21 THR 55 -12.616 -3.391 -8.511 412 HG22 THR 55 HG22 THR 55 -11.239 -3.524 -7.421 413 HG23 THR 55 HG23 THR 55 -11.960 -1.948 -7.737 414 H VAL 56 HN VAL 56 -10.087 -1.798 -5.489 415 HA VAL 56 HA VAL 56 -8.886 -4.151 -4.274 416 HB VAL 56 HB VAL 56 -6.898 -3.684 -5.792 417 HG11 VAL 56 HG11 VAL 56 -7.890 -4.879 -7.716 418 HG12 VAL 56 HG12 VAL 56 -9.502 -4.525 -7.094 419 HG13 VAL 56 HG13 VAL 56 -8.415 -5.568 -6.182 420 HG21 VAL 56 HG21 VAL 56 -8.946 -2.054 -7.293 421 HG22 VAL 56 HG22 VAL 56 -7.357 -2.516 -7.902 422 HG23 VAL 56 HG23 VAL 56 -7.489 -1.444 -6.507 423 HA PRO 57 HA PRO 57 -6.913 -1.511 -1.361 424 HB2 PRO 57 HB2 PRO 57 -4.512 -2.873 -1.113 425 HB3 PRO 57 HB1 PRO 57 -5.993 -3.305 -0.258 426 HG2 PRO 57 HG2 PRO 57 -4.843 -4.472 -2.758 427 HG3 PRO 57 HG1 PRO 57 -5.648 -5.292 -1.407 428 HD2 PRO 57 HD2 PRO 57 -6.884 -4.829 -3.729 429 HD3 PRO 57 HD1 PRO 57 -7.751 -4.735 -2.183 430 H THR 58 HN THR 58 -5.625 0.236 -1.436 431 HA THR 58 HA THR 58 -3.807 0.446 -3.715 432 HB THR 58 HB THR 58 -5.472 2.685 -2.504 433 HG1 THR 58 HG1 THR 58 -6.263 0.719 -3.852 434 HG21 THR 58 HG21 THR 58 -3.378 3.420 -3.664 435 HG22 THR 58 HG22 THR 58 -4.845 3.909 -4.514 436 HG23 THR 58 HG23 THR 58 -3.913 2.540 -5.104 437 H VAL 59 HN VAL 59 -1.795 1.406 -3.207 438 HA VAL 59 HA VAL 59 -1.344 1.910 -0.353 439 HB VAL 59 HB VAL 59 1.067 1.489 -0.793 440 HG11 VAL 59 HG11 VAL 59 -0.811 -0.704 -1.583 441 HG12 VAL 59 HG12 VAL 59 -0.241 -0.303 0.057 442 HG13 VAL 59 HG13 VAL 59 0.887 -0.930 -1.148 443 HG21 VAL 59 HG21 VAL 59 0.113 0.638 -3.509 444 HG22 VAL 59 HG22 VAL 59 1.752 0.414 -2.874 445 HG23 VAL 59 HG23 VAL 59 1.125 2.042 -3.156 446 H LYS 60 HN LYS 60 -0.737 3.815 0.285 447 HA LYS 60 HA LYS 60 0.142 5.777 -1.728 448 HB2 LYS 60 HB2 LYS 60 -1.945 6.324 -0.365 449 HB3 LYS 60 HB1 LYS 60 -0.912 6.316 1.052 450 HG2 LYS 60 HG2 LYS 60 0.438 8.134 0.072 451 HG3 LYS 60 HG1 LYS 60 -0.649 8.171 -1.309 452 HD2 LYS 60 HD2 LYS 60 -1.281 9.939 0.214 453 HD3 LYS 60 HD1 LYS 60 -2.530 8.692 0.235 454 HE2 LYS 60 HE2 LYS 60 -1.542 7.783 2.308 455 HE3 LYS 60 HE1 LYS 60 -0.339 9.069 2.270 456 HZ1 LYS 60 HZ1 LYS 60 -2.171 9.534 3.764 457 HZ2 LYS 60 HZ2 LYS 60 -3.273 9.496 2.484 458 HZ3 LYS 60 HZ3 LYS 60 -2.086 10.689 2.553 459 H PHE 61 HN PHE 61 2.268 5.930 -1.680 460 HA PHE 61 HA PHE 61 3.805 5.028 0.592 461 HB2 PHE 61 HB2 PHE 61 4.689 6.331 -1.972 462 HB3 PHE 61 HB1 PHE 61 5.756 5.642 -0.759 463 HD1 PHE 61 HD1 PHE 61 3.337 4.938 -3.377 464 HD2 PHE 61 HD2 PHE 61 6.010 3.248 -0.537 465 HE1 PHE 61 HE1 PHE 61 3.171 2.801 -4.513 466 HE2 PHE 61 HE2 PHE 61 5.861 1.083 -1.686 467 HZ PHE 61 HZ PHE 61 4.437 0.859 -3.691 468 H ALA 62 HN ALA 62 5.544 6.368 1.490 469 HA ALA 62 HA ALA 62 4.591 8.726 2.619 470 HB1 ALA 62 HB1 ALA 62 7.460 7.842 2.355 471 HB2 ALA 62 HB2 ALA 62 6.342 7.346 3.625 472 HB3 ALA 62 HB3 ALA 62 6.839 9.032 3.500 473 H ASP 63 HN ASP 63 6.022 8.252 -0.465 474 HA ASP 63 HA ASP 63 6.879 10.999 -0.758 475 HB2 ASP 63 HB2 ASP 63 7.639 10.439 -2.946 476 HB3 ASP 63 HB1 ASP 63 7.959 9.002 -1.989 477 H GLY 64 HN GLY 64 3.951 9.360 -0.871 478 HA2 GLY 64 HA2 GLY 64 1.917 10.530 -1.046 479 HA3 GLY 64 HA1 GLY 64 2.683 11.660 -2.154 480 H SER 65 HN SER 65 3.737 8.805 -3.253 481 HA SER 65 HA SER 65 1.879 8.888 -5.426 482 HB2 SER 65 HB2 SER 65 4.297 8.571 -5.788 483 HB3 SER 65 HB1 SER 65 4.220 7.044 -4.922 484 HG SER 65 HG SER 65 2.478 7.389 -7.062 485 H THR 66 HN THR 66 0.489 7.284 -6.086 486 HA THR 66 HA THR 66 -0.103 5.216 -4.126 487 HB THR 66 HB THR 66 -2.396 5.523 -5.531 488 HG1 THR 66 HG1 THR 66 -1.397 8.142 -5.170 489 HG21 THR 66 HG21 THR 66 -3.220 6.834 -3.634 490 HG22 THR 66 HG22 THR 66 -1.554 7.136 -3.125 491 HG23 THR 66 HG23 THR 66 -2.210 5.491 -3.099 492 H LEU 67 HN LEU 67 -0.359 3.174 -4.931 493 HA LEU 67 HA LEU 67 -0.423 2.784 -7.842 494 HB2 LEU 67 HB2 LEU 67 1.209 1.100 -5.905 495 HB3 LEU 67 HB1 LEU 67 0.920 0.699 -7.568 496 HG LEU 67 HG LEU 67 2.595 2.994 -6.543 497 HD11 LEU 67 HD11 LEU 67 3.608 0.741 -6.331 498 HD12 LEU 67 HD12 LEU 67 4.433 1.729 -7.537 499 HD13 LEU 67 HD13 LEU 67 3.311 0.480 -8.047 500 HD21 LEU 67 HD21 LEU 67 3.184 3.358 -8.896 501 HD22 LEU 67 HD22 LEU 67 1.471 3.642 -8.618 502 HD23 LEU 67 HD23 LEU 67 2.004 2.141 -9.382 503 H THR 68 HN THR 68 -1.720 1.142 -8.522 504 HA THR 68 HA THR 68 -3.822 0.322 -6.791 505 HB THR 68 HB THR 68 -3.169 -0.859 -9.490 506 HG1 THR 68 HG1 THR 68 -4.062 0.945 -10.438 507 HG21 THR 68 HG21 THR 68 -5.617 -0.856 -9.710 508 HG22 THR 68 HG22 THR 68 -5.755 -0.081 -8.128 509 HG23 THR 68 HG23 THR 68 -5.112 -1.717 -8.257 510 H ASN 69 HN ASN 69 -4.099 -1.747 -5.872 511 HA ASN 69 HA ASN 69 -2.582 -3.147 -4.521 512 HB2 ASN 69 HB2 ASN 69 -3.591 -5.363 -4.973 513 HB3 ASN 69 HB1 ASN 69 -4.751 -4.066 -4.793 514 HD21 ASN 69 HD21 ASN 69 -5.002 -6.702 -6.054 515 HD22 ASN 69 HD22 ASN 69 -5.471 -6.437 -7.685 516 HA PRO 70 HA PRO 70 0.953 -4.325 -7.016 517 HB2 PRO 70 HB2 PRO 70 2.713 -3.136 -5.307 518 HB3 PRO 70 HB1 PRO 70 1.941 -2.310 -6.658 519 HG2 PRO 70 HG2 PRO 70 1.532 -1.895 -3.823 520 HG3 PRO 70 HG1 PRO 70 0.877 -0.971 -5.184 521 HD2 PRO 70 HD2 PRO 70 -0.397 -3.038 -3.537 522 HD3 PRO 70 HD1 PRO 70 -1.101 -1.850 -4.649 523 H SER 71 HN SER 71 2.605 -5.741 -6.637 524 HA SER 71 HA SER 71 2.205 -7.527 -4.433 525 HB2 SER 71 HB2 SER 71 4.424 -7.532 -6.496 526 HB3 SER 71 HB1 SER 71 3.823 -8.894 -5.545 527 HG SER 71 HG SER 71 2.591 -7.500 -7.644 528 H ALA 72 HN ALA 72 4.433 -8.254 -3.336 529 HA ALA 72 HA ALA 72 5.159 -6.073 -1.701 530 HB1 ALA 72 HB1 ALA 72 6.443 -8.786 -1.931 531 HB2 ALA 72 HB2 ALA 72 5.082 -8.368 -0.884 532 HB3 ALA 72 HB3 ALA 72 6.663 -7.638 -0.613 533 H ASP 73 HN ASP 73 6.771 -7.692 -4.341 534 HA ASP 73 HA ASP 73 9.212 -6.270 -4.048 535 HB2 ASP 73 HB2 ASP 73 9.827 -7.173 -6.201 536 HB3 ASP 73 HB1 ASP 73 9.018 -8.427 -5.270 537 H GLU 74 HN GLU 74 6.217 -5.628 -5.676 538 HA GLU 74 HA GLU 74 7.139 -3.526 -7.345 539 HB2 GLU 74 HB2 GLU 74 4.357 -4.146 -6.346 540 HB3 GLU 74 HB1 GLU 74 4.726 -2.950 -7.579 541 HG2 GLU 74 HG2 GLU 74 5.628 -4.738 -9.006 542 HG3 GLU 74 HG1 GLU 74 5.210 -5.915 -7.766 543 H VAL 75 HN VAL 75 5.612 -3.622 -4.153 544 HA VAL 75 HA VAL 75 5.724 -0.792 -3.890 545 HB VAL 75 HB VAL 75 5.287 -1.207 -1.389 546 HG11 VAL 75 HG11 VAL 75 3.504 -0.743 -3.021 547 HG12 VAL 75 HG12 VAL 75 2.996 -1.880 -1.766 548 HG13 VAL 75 HG13 VAL 75 3.440 -2.475 -3.373 549 HG21 VAL 75 HG21 VAL 75 4.876 -3.975 -2.404 550 HG22 VAL 75 HG22 VAL 75 4.561 -3.397 -0.762 551 HG23 VAL 75 HG23 VAL 75 6.227 -3.495 -1.371 552 H LYS 76 HN LYS 76 7.903 -3.392 -2.957 553 HA LYS 76 HA LYS 76 9.605 -1.917 -1.362 554 HB2 LYS 76 HB2 LYS 76 10.168 -4.259 -3.147 555 HB3 LYS 76 HB1 LYS 76 11.448 -3.486 -2.206 556 HG2 LYS 76 HG2 LYS 76 10.136 -3.943 -0.167 557 HG3 LYS 76 HG1 LYS 76 8.942 -4.767 -1.159 558 HD2 LYS 76 HD2 LYS 76 10.282 -6.459 -0.193 559 HD3 LYS 76 HD1 LYS 76 10.785 -6.349 -1.869 560 HE2 LYS 76 HE2 LYS 76 12.236 -4.952 0.381 561 HE3 LYS 76 HE1 LYS 76 12.623 -6.599 -0.095 562 HZ1 LYS 76 HZ1 LYS 76 12.886 -4.191 -1.873 563 HZ2 LYS 76 HZ2 LYS 76 13.309 -5.764 -2.272 564 HZ3 LYS 76 HZ3 LYS 76 14.110 -4.947 -1.037 565 H ALA 77 HN ALA 77 9.381 -2.113 -4.848 566 HA ALA 77 HA ALA 77 11.766 -0.935 -5.628 567 HB1 ALA 77 HB1 ALA 77 10.664 -0.388 -7.722 568 HB2 ALA 77 HB2 ALA 77 9.087 -0.625 -6.972 569 HB3 ALA 77 HB3 ALA 77 10.170 -1.997 -7.188 570 H LYS 78 HN LYS 78 8.735 0.645 -4.684 571 HA LYS 78 HA LYS 78 9.951 3.221 -5.136 572 HB2 LYS 78 HB2 LYS 78 7.282 2.578 -3.915 573 HB3 LYS 78 HB1 LYS 78 7.879 4.198 -4.203 574 HG2 LYS 78 HG2 LYS 78 8.082 3.547 -6.625 575 HG3 LYS 78 HG1 LYS 78 7.159 2.102 -6.206 576 HD2 LYS 78 HD2 LYS 78 5.459 3.502 -6.849 577 HD3 LYS 78 HD1 LYS 78 5.549 3.842 -5.119 578 HE2 LYS 78 HE2 LYS 78 6.846 5.495 -7.297 579 HE3 LYS 78 HE1 LYS 78 5.325 5.883 -6.512 580 HZ1 LYS 78 HZ1 LYS 78 7.218 7.136 -5.739 581 HZ2 LYS 78 HZ2 LYS 78 7.975 5.790 -5.128 582 HZ3 LYS 78 HZ3 LYS 78 6.521 6.355 -4.449 583 H LEU 79 HN LEU 79 8.865 1.305 -2.386 584 HA LEU 79 HA LEU 79 9.282 3.158 -0.373 585 HB2 LEU 79 HB2 LEU 79 8.041 1.099 -0.038 586 HB3 LEU 79 HB1 LEU 79 9.498 0.157 -0.260 587 HG LEU 79 HG LEU 79 10.436 1.157 1.799 588 HD11 LEU 79 HD11 LEU 79 8.992 2.400 3.315 589 HD12 LEU 79 HD12 LEU 79 7.715 2.417 2.095 590 HD13 LEU 79 HD13 LEU 79 9.234 3.262 1.798 591 HD21 LEU 79 HD21 LEU 79 9.300 -0.988 1.910 592 HD22 LEU 79 HD22 LEU 79 7.751 -0.178 2.126 593 HD23 LEU 79 HD23 LEU 79 8.990 -0.056 3.376 594 H VAL 80 HN VAL 80 11.578 0.880 -1.799 595 HA VAL 80 HA VAL 80 13.586 1.271 0.091 596 HB VAL 80 HB VAL 80 13.519 -0.596 -1.594 597 HG11 VAL 80 HG11 VAL 80 14.565 1.423 -3.546 598 HG12 VAL 80 HG12 VAL 80 13.021 0.575 -3.614 599 HG13 VAL 80 HG13 VAL 80 14.527 -0.325 -3.794 600 HG21 VAL 80 HG21 VAL 80 15.960 -0.727 -1.947 601 HG22 VAL 80 HG22 VAL 80 15.469 -0.335 -0.305 602 HG23 VAL 80 HG23 VAL 80 16.091 0.942 -1.371 603 H LYS 81 HN LYS 81 12.834 3.017 -2.864 604 HA LYS 81 HA LYS 81 15.203 4.611 -2.812 605 HB2 LYS 81 HB2 LYS 81 12.652 5.033 -4.363 606 HB3 LYS 81 HB1 LYS 81 14.188 5.833 -4.663 607 HG2 LYS 81 HG2 LYS 81 15.184 3.603 -5.125 608 HG3 LYS 81 HG1 LYS 81 13.573 2.912 -4.959 609 HD2 LYS 81 HD2 LYS 81 12.789 4.332 -6.814 610 HD3 LYS 81 HD1 LYS 81 14.413 4.991 -6.969 611 HE2 LYS 81 HE2 LYS 81 13.626 2.104 -7.327 612 HE3 LYS 81 HE1 LYS 81 14.049 3.238 -8.610 613 HZ1 LYS 81 HZ1 LYS 81 15.862 2.273 -6.460 614 HZ2 LYS 81 HZ2 LYS 81 16.268 3.425 -7.605 615 HZ3 LYS 81 HZ3 LYS 81 15.953 1.861 -8.084 616 H ILE 82 HN ILE 82 12.134 4.816 -1.339 617 HA ILE 82 HA ILE 82 12.128 7.656 -0.986 618 HB ILE 82 HB ILE 82 10.559 5.549 0.560 619 HG12 ILE 82 HG12 ILE 82 9.736 7.226 -1.834 620 HG13 ILE 82 HG11 ILE 82 10.107 5.508 -1.866 621 HG21 ILE 82 HG21 ILE 82 9.048 7.398 1.139 622 HG22 ILE 82 HG22 ILE 82 10.117 8.533 0.317 623 HG23 ILE 82 HG23 ILE 82 10.677 7.684 1.758 624 HD11 ILE 82 HD11 ILE 82 7.742 5.898 -1.926 625 HD12 ILE 82 HD12 ILE 82 7.824 6.799 -0.410 626 HD13 ILE 82 HD13 ILE 82 8.190 5.069 -0.434 627 H ALA 83 HN ALA 83 13.263 4.902 0.817 628 HA ALA 83 HA ALA 83 14.090 6.611 3.030 629 HB1 ALA 83 HB1 ALA 83 14.245 3.614 2.756 630 HB2 ALA 83 HB2 ALA 83 12.958 4.506 3.564 631 HB3 ALA 83 HB3 ALA 83 14.598 4.543 4.212 632 H GLY 84 HN GLY 84 15.497 4.535 0.516 633 HA2 GLY 84 HA2 GLY 84 17.572 4.633 -0.420 634 HA3 GLY 84 HA1 GLY 84 18.026 5.897 0.719 635 H LEU 85 HN LEU 85 17.630 2.461 0.286 636 HA LEU 85 HA LEU 85 19.305 2.077 2.693 637 HB2 LEU 85 HB2 LEU 85 16.850 0.393 2.173 638 HB3 LEU 85 HB1 LEU 85 18.005 0.171 3.453 639 HG LEU 85 HG LEU 85 16.250 2.607 3.175 640 HD11 LEU 85 HD11 LEU 85 14.935 0.600 3.580 641 HD12 LEU 85 HD12 LEU 85 14.962 1.634 5.010 642 HD13 LEU 85 HD13 LEU 85 15.964 0.182 4.949 643 HD21 LEU 85 HD21 LEU 85 17.993 1.623 5.437 644 HD22 LEU 85 HD22 LEU 85 16.933 3.028 5.496 645 HD23 LEU 85 HD23 LEU 85 18.323 3.020 4.412 646 H GLU 86 HN GLU 86 17.781 -0.272 0.472 647 HA GLU 86 HA GLU 86 19.897 -2.085 0.732 648 HB2 GLU 86 HB2 GLU 86 17.738 -1.970 -1.362 649 HB3 GLU 86 HB1 GLU 86 18.865 -3.309 -1.204 650 HG2 GLU 86 HG2 GLU 86 18.064 -3.631 1.132 651 HG3 GLU 86 HG1 GLU 86 16.861 -2.381 0.845 652 H HIS 87 HN HIS 87 19.322 0.208 -1.811 653 HA HIS 87 HA HIS 87 22.157 0.207 -2.470 654 HB2 HIS 87 HB2 HIS 87 19.967 -0.166 -4.564 655 HB3 HIS 87 HB1 HIS 87 21.601 0.333 -4.947 656 HD1 HIS 87 HD1 HIS 87 23.467 -1.553 -4.821 657 HD2 HIS 87 HD2 HIS 87 19.577 -2.855 -4.129 658 HE1 HIS 87 HE1 HIS 87 23.515 -4.052 -5.065 659 H HIS 88 HN HIS 88 19.025 1.323 -3.500 660 HA HIS 88 HA HIS 88 19.462 3.873 -2.319 661 HB2 HIS 88 HB2 HIS 88 20.062 4.148 -4.781 662 HB3 HIS 88 HB1 HIS 88 18.474 3.511 -5.189 663 HD1 HIS 88 HD1 HIS 88 20.036 6.530 -3.477 664 HD2 HIS 88 HD2 HIS 88 16.466 5.359 -5.244 665 HE1 HIS 88 HE1 HIS 88 18.602 8.599 -3.604 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 11.739 11.394 10.105 2 H2 MET 1 HT2 MET 1 13.029 10.705 10.942 3 H3 MET 1 HT3 MET 1 11.436 10.161 11.187 4 HA MET 1 HA MET 1 12.849 9.997 8.619 5 HB2 MET 1 HB2 MET 1 12.383 7.890 10.738 6 HB3 MET 1 HB1 MET 1 12.745 7.481 9.072 7 HG2 MET 1 HG2 MET 1 14.869 8.734 9.279 8 HG3 MET 1 HG1 MET 1 14.504 9.000 10.983 9 HE1 MET 1 HE1 MET 1 17.190 7.685 9.862 10 HE2 MET 1 HE2 MET 1 17.411 6.378 11.027 11 HE3 MET 1 HE3 MET 1 16.872 7.965 11.576 12 H VAL 2 HN VAL 2 11.622 7.889 7.571 13 HA VAL 2 HA VAL 2 8.905 8.832 7.242 14 HB VAL 2 HB VAL 2 10.302 6.443 5.959 15 HG11 VAL 2 HG11 VAL 2 8.505 6.531 4.305 16 HG12 VAL 2 HG12 VAL 2 7.742 7.840 5.205 17 HG13 VAL 2 HG13 VAL 2 7.875 6.237 5.927 18 HG21 VAL 2 HG21 VAL 2 9.831 9.197 4.831 19 HG22 VAL 2 HG22 VAL 2 10.551 7.834 3.969 20 HG23 VAL 2 HG23 VAL 2 11.384 8.547 5.350 21 H THR 3 HN THR 3 7.564 8.548 8.571 22 HA THR 3 HA THR 3 7.665 6.444 10.479 23 HB THR 3 HB THR 3 5.433 8.394 10.205 24 HG1 THR 3 HG1 THR 3 8.180 8.961 10.845 25 HG21 THR 3 HG21 THR 3 5.652 6.834 12.085 26 HG22 THR 3 HG22 THR 3 5.842 8.537 12.595 27 HG23 THR 3 HG23 THR 3 7.268 7.501 12.361 28 H ALA 4 HN ALA 4 5.972 7.272 7.561 29 HA ALA 4 HA ALA 4 4.509 4.761 7.718 30 HB1 ALA 4 HB1 ALA 4 2.906 6.550 8.229 31 HB2 ALA 4 HB2 ALA 4 2.565 5.833 6.653 32 HB3 ALA 4 HB3 ALA 4 3.375 7.395 6.754 33 H ALA 5 HN ALA 5 5.904 3.772 6.396 34 HA ALA 5 HA ALA 5 7.117 4.832 4.112 35 HB1 ALA 5 HB1 ALA 5 7.591 2.482 3.533 36 HB2 ALA 5 HB2 ALA 5 6.458 1.958 4.783 37 HB3 ALA 5 HB3 ALA 5 7.923 2.826 5.229 38 H LEU 6 HN LEU 6 4.327 2.663 4.356 39 HA LEU 6 HA LEU 6 3.072 4.072 2.209 40 HB2 LEU 6 HB2 LEU 6 2.438 2.075 0.966 41 HB3 LEU 6 HB1 LEU 6 4.168 2.290 0.953 42 HG LEU 6 HG LEU 6 2.853 0.366 2.863 43 HD11 LEU 6 HD11 LEU 6 3.390 -1.378 1.174 44 HD12 LEU 6 HD12 LEU 6 3.638 -0.049 0.004 45 HD13 LEU 6 HD13 LEU 6 2.069 -0.299 0.745 46 HD21 LEU 6 HD21 LEU 6 5.038 -0.736 2.744 47 HD22 LEU 6 HD22 LEU 6 5.183 0.929 3.291 48 HD23 LEU 6 HD23 LEU 6 5.611 0.509 1.633 49 H THR 7 HN THR 7 1.028 4.217 2.434 50 HA THR 7 HA THR 7 -0.155 2.918 4.756 51 HB THR 7 HB THR 7 -1.251 5.249 3.173 52 HG1 THR 7 HG1 THR 7 0.159 5.440 5.629 53 HG21 THR 7 HG21 THR 7 -2.488 5.686 5.242 54 HG22 THR 7 HG22 THR 7 -1.709 4.299 6.004 55 HG23 THR 7 HG23 THR 7 -2.820 4.053 4.655 56 H ILE 8 HN ILE 8 -1.547 1.390 4.417 57 HA ILE 8 HA ILE 8 -2.449 0.757 1.736 58 HB ILE 8 HB ILE 8 -2.509 -0.769 4.335 59 HG12 ILE 8 HG12 ILE 8 -1.324 -1.415 1.652 60 HG13 ILE 8 HG11 ILE 8 -0.405 -0.806 3.041 61 HG21 ILE 8 HG21 ILE 8 -3.606 -2.634 3.178 62 HG22 ILE 8 HG22 ILE 8 -3.896 -1.575 1.785 63 HG23 ILE 8 HG23 ILE 8 -4.613 -1.202 3.361 64 HD11 ILE 8 HD11 ILE 8 -0.113 -3.179 2.733 65 HD12 ILE 8 HD12 ILE 8 -1.858 -3.431 2.784 66 HD13 ILE 8 HD13 ILE 8 -0.999 -2.875 4.226 67 H TYR 9 HN TYR 9 -4.234 1.519 1.020 68 HA TYR 9 HA TYR 9 -6.466 2.049 2.834 69 HB2 TYR 9 HB2 TYR 9 -5.920 2.962 0.005 70 HB3 TYR 9 HB1 TYR 9 -7.416 3.272 0.874 71 HD1 TYR 9 HD2 TYR 9 -7.215 4.558 3.078 72 HD2 TYR 9 HD1 TYR 9 -4.155 4.482 0.140 73 HE1 TYR 9 HE2 TYR 9 -6.287 6.596 4.025 74 HE2 TYR 9 HE1 TYR 9 -3.196 6.535 1.083 75 HH TYR 9 HH TYR 9 -4.033 7.698 4.119 76 H THR 10 HN THR 10 -7.765 0.387 3.053 77 HA THR 10 HA THR 10 -8.952 -0.846 0.794 78 HB THR 10 HB THR 10 -6.721 -2.151 0.990 79 HG1 THR 10 HG1 THR 10 -8.580 -3.134 0.135 80 HG21 THR 10 HG21 THR 10 -6.526 -1.967 3.447 81 HG22 THR 10 HG22 THR 10 -6.437 -3.635 2.881 82 HG23 THR 10 HG23 THR 10 -7.921 -3.032 3.614 83 H THR 11 HN THR 11 -10.220 -2.865 1.886 84 HA THR 11 HA THR 11 -11.027 -2.203 4.554 85 HB THR 11 HB THR 11 -13.413 -3.030 3.392 86 HG1 THR 11 HG1 THR 11 -12.411 -2.565 1.316 87 HG21 THR 11 HG21 THR 11 -12.485 -0.210 3.947 88 HG22 THR 11 HG22 THR 11 -13.145 -1.319 5.137 89 HG23 THR 11 HG23 THR 11 -14.164 -0.727 3.822 90 H SER 12 HN SER 12 -11.990 -4.017 5.647 91 HA SER 12 HA SER 12 -10.433 -6.272 5.454 92 HB2 SER 12 HB2 SER 12 -11.660 -5.455 7.464 93 HB3 SER 12 HB1 SER 12 -13.150 -6.067 6.762 94 HG SER 12 HG SER 12 -12.649 -7.990 7.363 95 H TRP 13 HN TRP 13 -13.447 -5.669 3.811 96 HA TRP 13 HA TRP 13 -13.937 -8.425 3.214 97 HB2 TRP 13 HB2 TRP 13 -15.746 -7.565 1.721 98 HB3 TRP 13 HB1 TRP 13 -15.857 -7.020 3.388 99 HD1 TRP 13 HD1 TRP 13 -15.690 -4.462 3.835 100 HE1 TRP 13 HE1 TRP 13 -15.714 -2.385 2.327 101 HE3 TRP 13 HE3 TRP 13 -14.927 -6.714 -0.696 102 HZ2 TRP 13 HZ2 TRP 13 -15.447 -1.765 -0.408 103 HZ3 TRP 13 HZ3 TRP 13 -14.828 -5.301 -2.705 104 HH2 TRP 13 HH2 TRP 13 -15.079 -2.882 -2.565 105 H CYS 14 HN CYS 14 -11.852 -6.139 1.844 106 HA CYS 14 HA CYS 14 -12.042 -6.947 -0.883 107 HB2 CYS 14 HB2 CYS 14 -9.782 -5.556 0.571 108 HB3 CYS 14 HB1 CYS 14 -9.972 -5.656 -1.173 109 HG CYS 14 HG CYS 14 -12.009 -3.949 -1.407 110 H GLY 15 HN GLY 15 -11.394 -8.821 -1.656 111 HA2 GLY 15 HA2 GLY 15 -10.103 -10.831 -0.246 112 HA3 GLY 15 HA1 GLY 15 -10.258 -10.773 -1.993 113 H TYR 16 HN TYR 16 -8.678 -8.543 -2.539 114 HA TYR 16 HA TYR 16 -6.156 -9.797 -2.260 115 HB2 TYR 16 HB2 TYR 16 -6.950 -7.306 -3.697 116 HB3 TYR 16 HB1 TYR 16 -5.237 -7.738 -3.534 117 HD1 TYR 16 HD1 TYR 16 -5.265 -10.613 -3.961 118 HD2 TYR 16 HD2 TYR 16 -7.563 -7.598 -5.891 119 HE1 TYR 16 HE1 TYR 16 -5.518 -12.064 -5.920 120 HE2 TYR 16 HE2 TYR 16 -7.835 -9.049 -7.839 121 HH TYR 16 HH TYR 16 -7.022 -12.359 -7.743 122 H CYS 17 HN CYS 17 -7.703 -7.826 -0.133 123 HA CYS 17 HA CYS 17 -5.607 -6.197 0.838 124 HB2 CYS 17 HB2 CYS 17 -7.845 -5.738 1.555 125 HB3 CYS 17 HB1 CYS 17 -8.057 -7.374 2.162 126 HG CYS 17 HG CYS 17 -7.898 -5.407 4.211 127 H LEU 18 HN LEU 18 -6.944 -9.184 2.118 128 HA LEU 18 HA LEU 18 -4.781 -9.687 3.856 129 HB2 LEU 18 HB2 LEU 18 -5.999 -11.895 4.197 130 HB3 LEU 18 HB1 LEU 18 -6.839 -10.424 4.627 131 HG LEU 18 HG LEU 18 -7.991 -10.601 2.353 132 HD11 LEU 18 HD11 LEU 18 -6.577 -12.143 1.280 133 HD12 LEU 18 HD12 LEU 18 -8.200 -12.832 1.406 134 HD13 LEU 18 HD13 LEU 18 -6.908 -13.386 2.486 135 HD21 LEU 18 HD21 LEU 18 -9.651 -12.172 3.200 136 HD22 LEU 18 HD22 LEU 18 -9.125 -10.995 4.405 137 HD23 LEU 18 HD23 LEU 18 -8.523 -12.655 4.473 138 H ARG 19 HN ARG 19 -5.349 -10.439 0.624 139 HA ARG 19 HA ARG 19 -3.608 -12.674 0.416 140 HB2 ARG 19 HB2 ARG 19 -5.348 -12.225 -1.274 141 HB3 ARG 19 HB1 ARG 19 -4.543 -10.719 -1.673 142 HG2 ARG 19 HG2 ARG 19 -4.120 -12.404 -3.382 143 HG3 ARG 19 HG1 ARG 19 -2.634 -11.933 -2.571 144 HD2 ARG 19 HD2 ARG 19 -4.214 -14.407 -1.870 145 HD3 ARG 19 HD1 ARG 19 -2.886 -14.394 -3.028 146 HE ARG 19 HE ARG 19 -1.866 -13.272 -0.753 147 HH11 ARG 19 HH11 ARG 19 -3.240 -16.405 -1.636 148 HH12 ARG 19 HH12 ARG 19 -2.446 -17.254 -0.393 149 HH21 ARG 19 HH21 ARG 19 -0.792 -14.424 0.973 150 HH22 ARG 19 HH22 ARG 19 -1.028 -16.110 1.104 151 H LEU 20 HN LEU 20 -3.217 -9.176 0.088 152 HA LEU 20 HA LEU 20 -0.517 -9.483 -0.808 153 HB2 LEU 20 HB2 LEU 20 -1.996 -7.690 -1.648 154 HB3 LEU 20 HB1 LEU 20 -2.054 -7.016 -0.042 155 HG LEU 20 HG LEU 20 0.374 -6.683 -0.135 156 HD11 LEU 20 HD11 LEU 20 1.458 -6.610 -2.375 157 HD12 LEU 20 HD12 LEU 20 0.086 -7.532 -2.997 158 HD13 LEU 20 HD13 LEU 20 1.128 -8.218 -1.752 159 HD21 LEU 20 HD21 LEU 20 -1.100 -4.819 -0.528 160 HD22 LEU 20 HD22 LEU 20 -1.267 -5.257 -2.228 161 HD23 LEU 20 HD23 LEU 20 0.285 -4.689 -1.609 162 H LYS 21 HN LYS 21 -2.139 -9.024 2.200 163 HA LYS 21 HA LYS 21 -0.266 -7.747 3.818 164 HB2 LYS 21 HB2 LYS 21 -2.108 -10.017 4.579 165 HB3 LYS 21 HB1 LYS 21 -1.258 -8.993 5.722 166 HG2 LYS 21 HG2 LYS 21 -3.238 -7.976 3.707 167 HG3 LYS 21 HG1 LYS 21 -3.652 -8.422 5.365 168 HD2 LYS 21 HD2 LYS 21 -2.187 -6.699 6.226 169 HD3 LYS 21 HD1 LYS 21 -1.631 -6.312 4.594 170 HE2 LYS 21 HE2 LYS 21 -3.707 -5.458 3.968 171 HE3 LYS 21 HE1 LYS 21 -4.533 -6.135 5.378 172 HZ1 LYS 21 HZ1 LYS 21 -2.575 -3.891 5.334 173 HZ2 LYS 21 HZ2 LYS 21 -3.218 -4.582 6.732 174 HZ3 LYS 21 HZ3 LYS 21 -4.241 -3.823 5.651 175 H THR 22 HN THR 22 -0.435 -11.176 2.970 176 HA THR 22 HA THR 22 1.620 -11.994 4.704 177 HB THR 22 HB THR 22 1.581 -14.081 3.290 178 HG1 THR 22 HG1 THR 22 0.973 -13.455 1.292 179 HG21 THR 22 HG21 THR 22 -1.083 -12.988 4.212 180 HG22 THR 22 HG22 THR 22 0.087 -13.851 5.214 181 HG23 THR 22 HG23 THR 22 -0.741 -14.685 3.896 182 H ALA 23 HN ALA 23 1.546 -10.886 1.397 183 HA ALA 23 HA ALA 23 4.155 -11.698 0.676 184 HB1 ALA 23 HB1 ALA 23 2.398 -11.208 -0.973 185 HB2 ALA 23 HB2 ALA 23 3.862 -10.270 -1.273 186 HB3 ALA 23 HB3 ALA 23 2.464 -9.506 -0.518 187 H LEU 24 HN LEU 24 2.804 -8.668 1.846 188 HA LEU 24 HA LEU 24 5.241 -7.217 1.759 189 HB2 LEU 24 HB2 LEU 24 2.837 -6.794 3.515 190 HB3 LEU 24 HB1 LEU 24 4.136 -5.646 3.343 191 HG LEU 24 HG LEU 24 2.185 -6.454 1.175 192 HD11 LEU 24 HD11 LEU 24 2.495 -3.961 2.831 193 HD12 LEU 24 HD12 LEU 24 1.146 -5.079 2.903 194 HD13 LEU 24 HD13 LEU 24 1.413 -4.081 1.460 195 HD21 LEU 24 HD21 LEU 24 4.449 -4.456 1.171 196 HD22 LEU 24 HD22 LEU 24 3.143 -4.436 0.021 197 HD23 LEU 24 HD23 LEU 24 4.225 -5.818 0.057 198 H THR 25 HN THR 25 3.699 -9.075 4.323 199 HA THR 25 HA THR 25 5.538 -8.485 6.335 200 HB THR 25 HB THR 25 3.862 -10.976 5.957 201 HG1 THR 25 HG1 THR 25 2.349 -9.505 6.081 202 HG21 THR 25 HG21 THR 25 5.563 -11.199 7.748 203 HG22 THR 25 HG22 THR 25 3.935 -11.115 8.422 204 HG23 THR 25 HG23 THR 25 4.983 -9.700 8.475 205 H ALA 26 HN ALA 26 5.425 -11.213 4.015 206 HA ALA 26 HA ALA 26 7.707 -12.569 4.916 207 HB1 ALA 26 HB1 ALA 26 6.588 -12.449 2.116 208 HB2 ALA 26 HB2 ALA 26 6.059 -13.549 3.387 209 HB3 ALA 26 HB3 ALA 26 7.692 -13.677 2.737 210 H ASN 27 HN ASN 27 7.336 -9.825 2.830 211 HA ASN 27 HA ASN 27 10.136 -9.870 2.111 212 HB2 ASN 27 HB2 ASN 27 7.820 -8.279 1.094 213 HB3 ASN 27 HB1 ASN 27 9.472 -7.770 0.755 214 HD21 ASN 27 HD21 ASN 27 7.101 -10.259 0.287 215 HD22 ASN 27 HD22 ASN 27 7.875 -11.060 -1.024 216 H ARG 28 HN ARG 28 8.766 -9.033 4.798 217 HA ARG 28 HA ARG 28 9.375 -7.764 6.591 218 HB2 ARG 28 HB2 ARG 28 11.837 -7.241 4.922 219 HB3 ARG 28 HB1 ARG 28 11.694 -6.892 6.636 220 HG2 ARG 28 HG2 ARG 28 11.515 -9.221 7.153 221 HG3 ARG 28 HG1 ARG 28 11.444 -9.642 5.442 222 HD2 ARG 28 HD2 ARG 28 13.766 -8.341 6.852 223 HD3 ARG 28 HD1 ARG 28 13.679 -10.043 6.387 224 HE ARG 28 HE ARG 28 13.383 -8.045 4.297 225 HH11 ARG 28 HH11 ARG 28 15.585 -10.367 5.884 226 HH12 ARG 28 HH12 ARG 28 16.616 -10.447 4.530 227 HH21 ARG 28 HH21 ARG 28 14.817 -8.172 2.518 228 HH22 ARG 28 HH22 ARG 28 16.196 -9.186 2.607 229 H ILE 29 HN ILE 29 7.793 -6.526 4.521 230 HA ILE 29 HA ILE 29 8.823 -3.829 4.294 231 HB ILE 29 HB ILE 29 6.215 -4.992 3.258 232 HG12 ILE 29 HG12 ILE 29 8.789 -4.428 1.748 233 HG13 ILE 29 HG11 ILE 29 8.308 -6.028 2.304 234 HG21 ILE 29 HG21 ILE 29 7.646 -2.410 2.564 235 HG22 ILE 29 HG22 ILE 29 6.247 -2.531 3.603 236 HG23 ILE 29 HG23 ILE 29 6.101 -2.957 1.887 237 HD11 ILE 29 HD11 ILE 29 6.332 -5.845 0.843 238 HD12 ILE 29 HD12 ILE 29 7.865 -5.779 -0.005 239 HD13 ILE 29 HD13 ILE 29 6.944 -4.291 0.266 240 H ALA 30 HN ALA 30 8.214 -2.206 5.501 241 HA ALA 30 HA ALA 30 6.356 -2.646 7.685 242 HB1 ALA 30 HB1 ALA 30 8.537 -1.683 8.158 243 HB2 ALA 30 HB2 ALA 30 7.265 -0.484 8.464 244 HB3 ALA 30 HB3 ALA 30 8.221 -0.419 6.975 245 H TYR 31 HN TYR 31 4.310 -1.892 7.532 246 HA TYR 31 HA TYR 31 3.800 0.376 5.791 247 HB2 TYR 31 HB2 TYR 31 1.885 -0.750 4.729 248 HB3 TYR 31 HB1 TYR 31 3.407 -1.538 4.344 249 HD1 TYR 31 HD2 TYR 31 3.886 -3.786 5.210 250 HD2 TYR 31 HD1 TYR 31 0.189 -1.862 6.062 251 HE1 TYR 31 HE2 TYR 31 2.919 -5.947 5.889 252 HE2 TYR 31 HE1 TYR 31 -0.785 -4.019 6.734 253 HH TYR 31 HH TYR 31 1.129 -6.827 7.173 254 H ASP 32 HN ASP 32 1.653 1.266 6.109 255 HA ASP 32 HA ASP 32 0.574 0.618 8.763 256 HB2 ASP 32 HB2 ASP 32 1.717 2.834 8.781 257 HB3 ASP 32 HB1 ASP 32 0.700 3.344 7.444 258 H GLU 33 HN GLU 33 -1.552 0.254 8.812 259 HA GLU 33 HA GLU 33 -2.987 0.673 6.293 260 HB2 GLU 33 HB2 GLU 33 -4.388 -1.246 6.936 261 HB3 GLU 33 HB1 GLU 33 -2.706 -1.682 6.675 262 HG2 GLU 33 HG2 GLU 33 -2.380 -1.691 9.134 263 HG3 GLU 33 HG1 GLU 33 -4.102 -1.362 9.328 264 H VAL 34 HN VAL 34 -4.958 1.620 6.370 265 HA VAL 34 HA VAL 34 -6.031 2.301 8.975 266 HB VAL 34 HB VAL 34 -4.638 4.222 8.162 267 HG11 VAL 34 HG11 VAL 34 -5.345 5.582 6.284 268 HG12 VAL 34 HG12 VAL 34 -6.550 4.370 5.873 269 HG13 VAL 34 HG13 VAL 34 -4.819 3.967 5.807 270 HG21 VAL 34 HG21 VAL 34 -7.592 4.788 8.248 271 HG22 VAL 34 HG22 VAL 34 -6.320 5.998 8.418 272 HG23 VAL 34 HG23 VAL 34 -6.480 4.713 9.615 273 H ASP 35 HN ASP 35 -8.362 2.603 8.851 274 HA ASP 35 HA ASP 35 -9.403 0.953 6.703 275 HB2 ASP 35 HB2 ASP 35 -10.199 0.523 8.931 276 HB3 ASP 35 HB1 ASP 35 -10.693 2.200 9.125 277 H ILE 36 HN ILE 36 -10.645 1.594 5.099 278 HA ILE 36 HA ILE 36 -10.894 4.421 4.670 279 HB ILE 36 HB ILE 36 -11.571 3.929 2.387 280 HG12 ILE 36 HG12 ILE 36 -11.142 1.031 3.138 281 HG13 ILE 36 HG11 ILE 36 -12.723 1.751 2.833 282 HG21 ILE 36 HG21 ILE 36 -9.115 2.576 3.461 283 HG22 ILE 36 HG22 ILE 36 -9.256 4.221 2.823 284 HG23 ILE 36 HG23 ILE 36 -9.396 2.827 1.749 285 HD11 ILE 36 HD11 ILE 36 -11.950 0.479 0.920 286 HD12 ILE 36 HD12 ILE 36 -10.473 1.434 0.853 287 HD13 ILE 36 HD13 ILE 36 -12.029 2.194 0.516 288 H GLU 37 HN GLU 37 -12.972 1.988 5.816 289 HA GLU 37 HA GLU 37 -15.357 2.950 4.583 290 HB2 GLU 37 HB2 GLU 37 -14.798 0.603 5.620 291 HB3 GLU 37 HB1 GLU 37 -15.324 1.354 7.117 292 HG2 GLU 37 HG2 GLU 37 -17.167 0.161 6.179 293 HG3 GLU 37 HG1 GLU 37 -17.485 1.891 6.019 294 H HIS 38 HN HIS 38 -13.831 3.274 7.713 295 HA HIS 38 HA HIS 38 -15.840 4.985 8.854 296 HB2 HIS 38 HB2 HIS 38 -14.366 3.462 10.165 297 HB3 HIS 38 HB1 HIS 38 -12.987 4.451 9.727 298 HD1 HIS 38 HD1 HIS 38 -15.773 4.210 12.168 299 HD2 HIS 38 HD2 HIS 38 -12.914 6.995 11.006 300 HE1 HIS 38 HE1 HIS 38 -15.694 5.934 13.997 301 H ASN 39 HN ASN 39 -13.032 5.441 6.934 302 HA ASN 39 HA ASN 39 -12.898 8.315 7.525 303 HB2 ASN 39 HB2 ASN 39 -10.891 6.400 6.339 304 HB3 ASN 39 HB1 ASN 39 -10.663 8.143 6.317 305 HD21 ASN 39 HD21 ASN 39 -9.394 5.754 7.696 306 HD22 ASN 39 HD22 ASN 39 -9.217 6.247 9.338 307 H ARG 40 HN ARG 40 -14.469 9.115 6.251 308 HA ARG 40 HA ARG 40 -15.263 8.207 3.747 309 HB2 ARG 40 HB2 ARG 40 -16.621 9.713 5.157 310 HB3 ARG 40 HB1 ARG 40 -15.530 11.039 4.774 311 HG2 ARG 40 HG2 ARG 40 -16.117 10.793 2.388 312 HG3 ARG 40 HG1 ARG 40 -17.258 9.528 2.819 313 HD2 ARG 40 HD2 ARG 40 -18.464 11.581 2.526 314 HD3 ARG 40 HD1 ARG 40 -18.471 11.161 4.235 315 HE ARG 40 HE ARG 40 -16.382 12.819 4.111 316 HH11 ARG 40 HH11 ARG 40 -19.652 13.189 2.785 317 HH12 ARG 40 HH12 ARG 40 -19.624 14.892 2.862 318 HH21 ARG 40 HH21 ARG 40 -16.409 15.160 4.250 319 HH22 ARG 40 HH22 ARG 40 -17.790 16.012 3.722 320 H ALA 41 HN ALA 41 -12.900 10.748 4.503 321 HA ALA 41 HA ALA 41 -12.619 11.523 1.777 322 HB1 ALA 41 HB1 ALA 41 -10.782 12.925 2.535 323 HB2 ALA 41 HB2 ALA 41 -10.764 12.099 4.090 324 HB3 ALA 41 HB3 ALA 41 -12.155 13.075 3.630 325 H ALA 42 HN ALA 42 -11.033 9.223 3.843 326 HA ALA 42 HA ALA 42 -8.860 8.730 2.079 327 HB1 ALA 42 HB1 ALA 42 -10.007 6.903 4.200 328 HB2 ALA 42 HB2 ALA 42 -8.727 8.096 4.452 329 HB3 ALA 42 HB3 ALA 42 -8.455 6.722 3.380 330 H ALA 43 HN ALA 43 -12.012 7.238 2.612 331 HA ALA 43 HA ALA 43 -11.807 5.191 0.690 332 HB1 ALA 43 HB1 ALA 43 -14.275 6.654 1.615 333 HB2 ALA 43 HB2 ALA 43 -13.563 5.246 2.400 334 HB3 ALA 43 HB3 ALA 43 -14.247 5.102 0.782 335 H GLU 44 HN GLU 44 -12.781 8.524 0.483 336 HA GLU 44 HA GLU 44 -13.693 8.551 -2.173 337 HB2 GLU 44 HB2 GLU 44 -13.996 10.340 -0.430 338 HB3 GLU 44 HB1 GLU 44 -12.309 10.771 -0.660 339 HG2 GLU 44 HG2 GLU 44 -13.715 12.279 -1.877 340 HG3 GLU 44 HG1 GLU 44 -12.784 11.287 -3.005 341 H PHE 45 HN PHE 45 -10.568 9.239 -0.715 342 HA PHE 45 HA PHE 45 -9.080 9.817 -2.997 343 HB2 PHE 45 HB2 PHE 45 -8.302 10.347 -0.760 344 HB3 PHE 45 HB1 PHE 45 -8.245 8.643 -0.340 345 HD1 PHE 45 HD2 PHE 45 -6.761 11.163 -2.620 346 HD2 PHE 45 HD1 PHE 45 -6.270 7.442 -0.609 347 HE1 PHE 45 HE2 PHE 45 -4.407 11.102 -3.320 348 HE2 PHE 45 HE1 PHE 45 -3.915 7.378 -1.305 349 HZ PHE 45 HZ PHE 45 -2.981 9.210 -2.662 350 H VAL 46 HN VAL 46 -9.184 6.733 -1.192 351 HA VAL 46 HA VAL 46 -7.654 5.360 -3.117 352 HB VAL 46 HB VAL 46 -7.693 4.493 -0.866 353 HG11 VAL 46 HG11 VAL 46 -9.812 5.090 -0.112 354 HG12 VAL 46 HG12 VAL 46 -9.654 3.308 -0.061 355 HG13 VAL 46 HG13 VAL 46 -10.593 4.077 -1.352 356 HG21 VAL 46 HG21 VAL 46 -8.005 2.196 -1.190 357 HG22 VAL 46 HG22 VAL 46 -7.472 2.876 -2.747 358 HG23 VAL 46 HG23 VAL 46 -9.183 2.482 -2.458 359 H GLY 47 HN GLY 47 -11.088 5.879 -2.862 360 HA2 GLY 47 HA2 GLY 47 -11.861 3.929 -4.762 361 HA3 GLY 47 HA1 GLY 47 -12.814 5.311 -4.240 362 H SER 48 HN SER 48 -10.847 7.297 -5.027 363 HA SER 48 HA SER 48 -11.624 7.364 -7.780 364 HB2 SER 48 HB2 SER 48 -10.630 9.695 -7.689 365 HB3 SER 48 HB1 SER 48 -11.999 9.386 -6.621 366 HG SER 48 HG SER 48 -10.714 9.393 -4.911 367 H VAL 49 HN VAL 49 -8.710 6.745 -6.040 368 HA VAL 49 HA VAL 49 -7.120 7.025 -8.455 369 HB VAL 49 HB VAL 49 -5.180 6.442 -7.101 370 HG11 VAL 49 HG11 VAL 49 -7.035 8.331 -5.719 371 HG12 VAL 49 HG12 VAL 49 -5.932 8.741 -7.041 372 HG13 VAL 49 HG13 VAL 49 -5.291 8.265 -5.450 373 HG21 VAL 49 HG21 VAL 49 -5.406 5.986 -4.676 374 HG22 VAL 49 HG22 VAL 49 -6.179 4.735 -5.664 375 HG23 VAL 49 HG23 VAL 49 -7.157 5.975 -4.885 376 H ASN 50 HN ASN 50 -9.024 4.698 -7.105 377 HA ASN 50 HA ASN 50 -7.514 2.351 -7.519 378 HB2 ASN 50 HB2 ASN 50 -9.900 2.997 -6.339 379 HB3 ASN 50 HB1 ASN 50 -10.396 2.021 -7.720 380 HD21 ASN 50 HD21 ASN 50 -8.395 2.212 -5.149 381 HD22 ASN 50 HD22 ASN 50 -8.245 0.545 -4.646 382 H GLY 51 HN GLY 51 -8.357 0.641 -9.183 383 HA2 GLY 51 HA2 GLY 51 -8.708 1.900 -11.768 384 HA3 GLY 51 HA1 GLY 51 -8.456 0.184 -11.472 385 H GLY 52 HN GLY 52 -10.845 2.698 -10.831 386 HA2 GLY 52 HA2 GLY 52 -13.033 2.400 -11.969 387 HA3 GLY 52 HA1 GLY 52 -13.000 0.740 -11.380 388 H ASN 53 HN ASN 53 -13.358 0.349 -9.192 389 HA ASN 53 HA ASN 53 -14.226 2.665 -7.573 390 HB2 ASN 53 HB2 ASN 53 -15.860 1.272 -6.453 391 HB3 ASN 53 HB1 ASN 53 -16.174 1.141 -8.186 392 HD21 ASN 53 HD21 ASN 53 -15.743 -0.882 -9.192 393 HD22 ASN 53 HD22 ASN 53 -15.527 -2.316 -8.270 394 H ARG 54 HN ARG 54 -14.118 2.033 -5.252 395 HA ARG 54 HA ARG 54 -11.481 1.435 -4.384 396 HB2 ARG 54 HB2 ARG 54 -12.583 1.361 -2.123 397 HB3 ARG 54 HB1 ARG 54 -12.920 2.810 -3.071 398 HG2 ARG 54 HG2 ARG 54 -15.104 1.988 -3.673 399 HG3 ARG 54 HG1 ARG 54 -14.753 0.428 -2.953 400 HD2 ARG 54 HD2 ARG 54 -14.820 2.996 -1.436 401 HD3 ARG 54 HD1 ARG 54 -16.213 1.927 -1.665 402 HE ARG 54 HE ARG 54 -13.929 0.556 -0.650 403 HH11 ARG 54 HH11 ARG 54 -16.586 2.651 0.458 404 HH12 ARG 54 HH12 ARG 54 -16.755 1.891 1.976 405 HH21 ARG 54 HH21 ARG 54 -14.162 -0.484 1.506 406 HH22 ARG 54 HH22 ARG 54 -15.410 0.097 2.533 407 H THR 55 HN THR 55 -11.876 -0.764 -5.845 408 HA THR 55 HA THR 55 -13.004 -2.879 -4.249 409 HB THR 55 HB THR 55 -13.563 -2.785 -6.620 410 HG1 THR 55 HG1 THR 55 -11.961 -5.029 -5.951 411 HG21 THR 55 HG21 THR 55 -10.617 -3.257 -7.112 412 HG22 THR 55 HG22 THR 55 -11.538 -1.819 -7.548 413 HG23 THR 55 HG23 THR 55 -11.871 -3.357 -8.345 414 H VAL 56 HN VAL 56 -9.789 -1.752 -5.190 415 HA VAL 56 HA VAL 56 -8.768 -4.027 -3.676 416 HB VAL 56 HB VAL 56 -6.707 -3.966 -5.013 417 HG11 VAL 56 HG11 VAL 56 -8.371 -5.694 -5.400 418 HG12 VAL 56 HG12 VAL 56 -7.639 -5.242 -6.941 419 HG13 VAL 56 HG13 VAL 56 -9.245 -4.651 -6.519 420 HG21 VAL 56 HG21 VAL 56 -6.774 -2.994 -7.297 421 HG22 VAL 56 HG22 VAL 56 -6.845 -1.780 -6.023 422 HG23 VAL 56 HG23 VAL 56 -8.312 -2.234 -6.890 423 HA PRO 57 HA PRO 57 -6.449 -1.477 -0.944 424 HB2 PRO 57 HB2 PRO 57 -4.051 -2.892 -0.988 425 HB3 PRO 57 HB1 PRO 57 -5.414 -3.282 0.057 426 HG2 PRO 57 HG2 PRO 57 -4.634 -4.469 -2.562 427 HG3 PRO 57 HG1 PRO 57 -5.272 -5.270 -1.114 428 HD2 PRO 57 HD2 PRO 57 -6.840 -4.797 -3.207 429 HD3 PRO 57 HD1 PRO 57 -7.464 -4.578 -1.554 430 H THR 58 HN THR 58 -5.660 0.373 -1.481 431 HA THR 58 HA THR 58 -3.761 0.529 -3.674 432 HB THR 58 HB THR 58 -5.301 2.758 -2.321 433 HG1 THR 58 HG1 THR 58 -6.180 0.866 -3.828 434 HG21 THR 58 HG21 THR 58 -3.829 2.671 -4.963 435 HG22 THR 58 HG22 THR 58 -3.222 3.427 -3.486 436 HG23 THR 58 HG23 THR 58 -4.670 4.059 -4.267 437 H VAL 59 HN VAL 59 -1.689 1.163 -3.132 438 HA VAL 59 HA VAL 59 -1.247 1.774 -0.321 439 HB VAL 59 HB VAL 59 1.136 1.140 -0.717 440 HG11 VAL 59 HG11 VAL 59 -0.926 -0.943 -1.423 441 HG12 VAL 59 HG12 VAL 59 -0.352 -0.509 0.194 442 HG13 VAL 59 HG13 VAL 59 0.734 -1.295 -0.947 443 HG21 VAL 59 HG21 VAL 59 1.210 1.595 -3.110 444 HG22 VAL 59 HG22 VAL 59 0.136 0.218 -3.401 445 HG23 VAL 59 HG23 VAL 59 1.757 -0.046 -2.747 446 H LYS 60 HN LYS 60 -0.712 3.700 0.245 447 HA LYS 60 HA LYS 60 0.138 5.627 -1.823 448 HB2 LYS 60 HB2 LYS 60 -1.895 6.158 -0.384 449 HB3 LYS 60 HB1 LYS 60 -0.796 6.183 0.975 450 HG2 LYS 60 HG2 LYS 60 0.544 7.941 -0.254 451 HG3 LYS 60 HG1 LYS 60 -0.809 8.057 -1.374 452 HD2 LYS 60 HD2 LYS 60 -1.050 9.776 0.266 453 HD3 LYS 60 HD1 LYS 60 -2.282 8.557 0.581 454 HE2 LYS 60 HE2 LYS 60 -1.261 9.281 2.653 455 HE3 LYS 60 HE1 LYS 60 -0.862 7.593 2.363 456 HZ1 LYS 60 HZ1 LYS 60 0.893 9.945 1.921 457 HZ2 LYS 60 HZ2 LYS 60 1.372 8.367 1.555 458 HZ3 LYS 60 HZ3 LYS 60 1.061 8.807 3.138 459 H PHE 61 HN PHE 61 2.204 6.227 -1.740 460 HA PHE 61 HA PHE 61 3.767 5.374 0.551 461 HB2 PHE 61 HB2 PHE 61 4.576 6.436 -2.149 462 HB3 PHE 61 HB1 PHE 61 5.723 6.085 -0.859 463 HD1 PHE 61 HD2 PHE 61 3.069 4.538 -2.936 464 HD2 PHE 61 HD1 PHE 61 6.558 3.933 -0.582 465 HE1 PHE 61 HE2 PHE 61 3.120 2.207 -3.629 466 HE2 PHE 61 HE1 PHE 61 6.615 1.573 -1.285 467 HZ PHE 61 HZ PHE 61 4.909 0.710 -2.806 468 H ALA 62 HN ALA 62 5.677 6.981 0.965 469 HA ALA 62 HA ALA 62 4.541 9.201 2.312 470 HB1 ALA 62 HB1 ALA 62 6.513 7.998 3.138 471 HB2 ALA 62 HB2 ALA 62 6.811 9.731 2.991 472 HB3 ALA 62 HB3 ALA 62 7.451 8.619 1.779 473 H ASP 63 HN ASP 63 5.431 8.839 -0.893 474 HA ASP 63 HA ASP 63 6.116 11.621 -1.309 475 HB2 ASP 63 HB2 ASP 63 6.506 11.020 -3.623 476 HB3 ASP 63 HB1 ASP 63 7.274 9.816 -2.604 477 H GLY 64 HN GLY 64 3.396 9.768 -0.971 478 HA2 GLY 64 HA2 GLY 64 1.188 10.482 -0.984 479 HA3 GLY 64 HA1 GLY 64 1.686 11.923 -1.869 480 H SER 65 HN SER 65 2.944 9.117 -3.275 481 HA SER 65 HA SER 65 0.890 9.295 -5.304 482 HB2 SER 65 HB2 SER 65 3.229 9.645 -6.012 483 HB3 SER 65 HB1 SER 65 3.648 8.050 -5.398 484 HG SER 65 HG SER 65 2.198 8.786 -7.664 485 H THR 66 HN THR 66 0.002 7.342 -6.151 486 HA THR 66 HA THR 66 -0.027 5.179 -4.181 487 HB THR 66 HB THR 66 -2.338 4.745 -5.040 488 HG1 THR 66 HG1 THR 66 -2.125 7.364 -6.137 489 HG21 THR 66 HG21 THR 66 -3.376 6.577 -3.764 490 HG22 THR 66 HG22 THR 66 -1.818 7.418 -3.741 491 HG23 THR 66 HG23 THR 66 -1.998 5.848 -2.945 492 H LEU 67 HN LEU 67 -0.085 3.103 -4.937 493 HA LEU 67 HA LEU 67 0.041 2.719 -7.843 494 HB2 LEU 67 HB2 LEU 67 1.461 1.012 -5.753 495 HB3 LEU 67 HB1 LEU 67 1.425 0.696 -7.464 496 HG LEU 67 HG LEU 67 2.828 3.016 -6.123 497 HD11 LEU 67 HD11 LEU 67 3.995 0.626 -7.554 498 HD12 LEU 67 HD12 LEU 67 3.880 0.750 -5.814 499 HD13 LEU 67 HD13 LEU 67 4.880 1.900 -6.708 500 HD21 LEU 67 HD21 LEU 67 3.780 3.432 -8.331 501 HD22 LEU 67 HD22 LEU 67 2.027 3.646 -8.325 502 HD23 LEU 67 HD23 LEU 67 2.739 2.187 -9.021 503 H THR 68 HN THR 68 -1.637 1.547 -8.558 504 HA THR 68 HA THR 68 -3.587 0.464 -6.818 505 HB THR 68 HB THR 68 -3.168 -0.219 -9.740 506 HG1 THR 68 HG1 THR 68 -3.842 1.683 -10.252 507 HG21 THR 68 HG21 THR 68 -4.936 -1.465 -8.575 508 HG22 THR 68 HG22 THR 68 -5.640 -0.339 -9.740 509 HG23 THR 68 HG23 THR 68 -5.641 0.050 -8.017 510 H ASN 69 HN ASN 69 -3.990 -1.773 -6.450 511 HA ASN 69 HA ASN 69 -2.640 -3.473 -5.246 512 HB2 ASN 69 HB2 ASN 69 -4.795 -4.075 -6.355 513 HB3 ASN 69 HB1 ASN 69 -3.886 -4.549 -7.767 514 HD21 ASN 69 HD21 ASN 69 -4.790 -6.685 -7.545 515 HD22 ASN 69 HD22 ASN 69 -4.097 -7.774 -6.407 516 HA PRO 70 HA PRO 70 1.180 -4.196 -7.676 517 HB2 PRO 70 HB2 PRO 70 2.852 -2.983 -5.933 518 HB3 PRO 70 HB1 PRO 70 1.981 -2.112 -7.194 519 HG2 PRO 70 HG2 PRO 70 1.615 -1.936 -4.324 520 HG3 PRO 70 HG1 PRO 70 0.840 -0.979 -5.595 521 HD2 PRO 70 HD2 PRO 70 -0.172 -3.337 -4.136 522 HD3 PRO 70 HD1 PRO 70 -1.065 -2.080 -5.021 523 H SER 71 HN SER 71 2.890 -5.556 -7.289 524 HA SER 71 HA SER 71 2.437 -7.415 -5.133 525 HB2 SER 71 HB2 SER 71 4.303 -8.689 -6.280 526 HB3 SER 71 HB1 SER 71 2.884 -8.377 -7.282 527 HG SER 71 HG SER 71 3.996 -6.625 -8.201 528 H ALA 72 HN ALA 72 4.436 -8.222 -3.924 529 HA ALA 72 HA ALA 72 5.411 -6.116 -2.308 530 HB1 ALA 72 HB1 ALA 72 6.415 -8.946 -2.517 531 HB2 ALA 72 HB2 ALA 72 5.091 -8.382 -1.487 532 HB3 ALA 72 HB3 ALA 72 6.730 -7.815 -1.203 533 H ASP 73 HN ASP 73 6.843 -7.752 -5.034 534 HA ASP 73 HA ASP 73 9.458 -6.718 -4.733 535 HB2 ASP 73 HB2 ASP 73 8.905 -8.596 -6.237 536 HB3 ASP 73 HB1 ASP 73 8.000 -7.497 -7.266 537 H GLU 74 HN GLU 74 6.590 -5.520 -6.305 538 HA GLU 74 HA GLU 74 7.797 -3.318 -7.655 539 HB2 GLU 74 HB2 GLU 74 4.933 -3.789 -6.902 540 HB3 GLU 74 HB1 GLU 74 5.512 -2.574 -8.029 541 HG2 GLU 74 HG2 GLU 74 6.377 -4.359 -9.473 542 HG3 GLU 74 HG1 GLU 74 5.747 -5.544 -8.323 543 H VAL 75 HN VAL 75 5.962 -3.651 -4.670 544 HA VAL 75 HA VAL 75 6.047 -0.892 -4.153 545 HB VAL 75 HB VAL 75 5.532 -1.534 -1.732 546 HG11 VAL 75 HG11 VAL 75 3.178 -2.054 -2.319 547 HG12 VAL 75 HG12 VAL 75 3.699 -2.498 -3.942 548 HG13 VAL 75 HG13 VAL 75 3.816 -0.823 -3.415 549 HG21 VAL 75 HG21 VAL 75 4.673 -3.770 -1.366 550 HG22 VAL 75 HG22 VAL 75 6.360 -3.866 -1.910 551 HG23 VAL 75 HG23 VAL 75 5.027 -4.170 -3.038 552 H LYS 76 HN LYS 76 8.255 -3.474 -3.279 553 HA LYS 76 HA LYS 76 9.910 -1.896 -1.596 554 HB2 LYS 76 HB2 LYS 76 10.534 -4.295 -3.314 555 HB3 LYS 76 HB1 LYS 76 11.735 -3.529 -2.277 556 HG2 LYS 76 HG2 LYS 76 10.354 -4.104 -0.323 557 HG3 LYS 76 HG1 LYS 76 9.160 -4.834 -1.401 558 HD2 LYS 76 HD2 LYS 76 10.521 -6.598 -0.491 559 HD3 LYS 76 HD1 LYS 76 10.930 -6.414 -2.192 560 HE2 LYS 76 HE2 LYS 76 12.977 -6.689 -1.030 561 HE3 LYS 76 HE1 LYS 76 12.886 -4.985 -1.440 562 HZ1 LYS 76 HZ1 LYS 76 11.968 -4.702 0.950 563 HZ2 LYS 76 HZ2 LYS 76 13.580 -5.010 0.735 564 HZ3 LYS 76 HZ3 LYS 76 12.574 -6.266 1.210 565 H ALA 77 HN ALA 77 9.689 -2.247 -5.061 566 HA ALA 77 HA ALA 77 12.111 -0.984 -5.718 567 HB1 ALA 77 HB1 ALA 77 9.588 -1.155 -7.364 568 HB2 ALA 77 HB2 ALA 77 10.857 -2.378 -7.303 569 HB3 ALA 77 HB3 ALA 77 11.203 -0.782 -7.967 570 H LYS 78 HN LYS 78 8.855 0.283 -5.279 571 HA LYS 78 HA LYS 78 9.664 2.991 -5.929 572 HB2 LYS 78 HB2 LYS 78 7.321 2.136 -6.276 573 HB3 LYS 78 HB1 LYS 78 7.144 2.110 -4.521 574 HG2 LYS 78 HG2 LYS 78 7.478 4.466 -4.389 575 HG3 LYS 78 HG1 LYS 78 7.827 4.533 -6.128 576 HD2 LYS 78 HD2 LYS 78 5.584 4.003 -6.657 577 HD3 LYS 78 HD1 LYS 78 5.205 3.661 -4.963 578 HE2 LYS 78 HE2 LYS 78 4.371 5.853 -5.459 579 HE3 LYS 78 HE1 LYS 78 5.805 5.957 -4.431 580 HZ1 LYS 78 HZ1 LYS 78 5.906 7.630 -6.062 581 HZ2 LYS 78 HZ2 LYS 78 5.699 6.541 -7.341 582 HZ3 LYS 78 HZ3 LYS 78 7.124 6.523 -6.431 583 H LEU 79 HN LEU 79 9.198 1.138 -3.000 584 HA LEU 79 HA LEU 79 9.401 3.260 -1.167 585 HB2 LEU 79 HB2 LEU 79 8.429 1.116 -0.576 586 HB3 LEU 79 HB1 LEU 79 9.956 0.319 -0.855 587 HG LEU 79 HG LEU 79 10.914 1.383 1.081 588 HD11 LEU 79 HD11 LEU 79 9.533 2.745 2.598 589 HD12 LEU 79 HD12 LEU 79 8.204 2.686 1.438 590 HD13 LEU 79 HD13 LEU 79 9.705 3.513 1.020 591 HD21 LEU 79 HD21 LEU 79 9.552 0.300 2.813 592 HD22 LEU 79 HD22 LEU 79 9.759 -0.726 1.394 593 HD23 LEU 79 HD23 LEU 79 8.236 0.124 1.652 594 H VAL 80 HN VAL 80 11.889 1.243 -2.656 595 HA VAL 80 HA VAL 80 13.933 2.132 -0.894 596 HB VAL 80 HB VAL 80 14.040 -0.029 -2.139 597 HG11 VAL 80 HG11 VAL 80 14.845 -0.082 -4.463 598 HG12 VAL 80 HG12 VAL 80 14.586 1.664 -4.564 599 HG13 VAL 80 HG13 VAL 80 13.227 0.581 -4.276 600 HG21 VAL 80 HG21 VAL 80 16.061 0.824 -1.138 601 HG22 VAL 80 HG22 VAL 80 16.393 1.799 -2.569 602 HG23 VAL 80 HG23 VAL 80 16.452 0.037 -2.668 603 H LYS 81 HN LYS 81 12.518 3.487 -3.684 604 HA LYS 81 HA LYS 81 14.743 5.195 -4.331 605 HB2 LYS 81 HB2 LYS 81 11.857 5.328 -5.209 606 HB3 LYS 81 HB1 LYS 81 13.189 6.229 -5.924 607 HG2 LYS 81 HG2 LYS 81 14.233 4.147 -6.643 608 HG3 LYS 81 HG1 LYS 81 12.951 3.225 -5.871 609 HD2 LYS 81 HD2 LYS 81 12.359 3.228 -8.135 610 HD3 LYS 81 HD1 LYS 81 11.359 4.499 -7.440 611 HE2 LYS 81 HE2 LYS 81 13.965 4.920 -8.878 612 HE3 LYS 81 HE1 LYS 81 12.387 5.065 -9.640 613 HZ1 LYS 81 HZ1 LYS 81 13.194 7.220 -9.075 614 HZ2 LYS 81 HZ2 LYS 81 13.541 6.805 -7.517 615 HZ3 LYS 81 HZ3 LYS 81 11.917 6.891 -8.036 616 H ILE 82 HN ILE 82 11.897 5.337 -2.379 617 HA ILE 82 HA ILE 82 12.017 8.195 -1.953 618 HB ILE 82 HB ILE 82 10.360 6.092 -0.531 619 HG12 ILE 82 HG12 ILE 82 9.592 8.004 -2.730 620 HG13 ILE 82 HG11 ILE 82 9.958 6.298 -2.969 621 HG21 ILE 82 HG21 ILE 82 10.602 8.126 0.817 622 HG22 ILE 82 HG22 ILE 82 8.957 7.986 0.194 623 HG23 ILE 82 HG23 ILE 82 10.089 9.110 -0.555 624 HD11 ILE 82 HD11 ILE 82 7.723 7.391 -1.280 625 HD12 ILE 82 HD12 ILE 82 8.049 5.683 -1.612 626 HD13 ILE 82 HD13 ILE 82 7.564 6.764 -2.917 627 H ALA 83 HN ALA 83 12.381 5.347 0.109 628 HA ALA 83 HA ALA 83 13.644 7.053 2.126 629 HB1 ALA 83 HB1 ALA 83 13.232 5.275 3.690 630 HB2 ALA 83 HB2 ALA 83 12.725 4.224 2.371 631 HB3 ALA 83 HB3 ALA 83 11.740 5.634 2.801 632 H GLY 84 HN GLY 84 14.166 4.085 0.342 633 HA2 GLY 84 HA2 GLY 84 16.043 2.909 -0.082 634 HA3 GLY 84 HA1 GLY 84 17.041 4.268 0.521 635 H LEU 85 HN LEU 85 14.661 2.052 1.608 636 HA LEU 85 HA LEU 85 15.583 1.764 4.250 637 HB2 LEU 85 HB2 LEU 85 13.732 0.198 4.462 638 HB3 LEU 85 HB1 LEU 85 13.255 1.658 3.635 639 HG LEU 85 HG LEU 85 12.079 0.169 2.470 640 HD11 LEU 85 HD11 LEU 85 12.918 -0.463 0.322 641 HD12 LEU 85 HD12 LEU 85 14.508 0.118 0.825 642 HD13 LEU 85 HD13 LEU 85 13.133 1.224 0.781 643 HD21 LEU 85 HD21 LEU 85 12.615 -1.825 3.594 644 HD22 LEU 85 HD22 LEU 85 14.187 -1.909 2.813 645 HD23 LEU 85 HD23 LEU 85 12.718 -2.140 1.862 646 H GLU 86 HN GLU 86 16.659 0.508 1.427 647 HA GLU 86 HA GLU 86 18.548 -1.265 2.627 648 HB2 GLU 86 HB2 GLU 86 16.585 -2.138 0.475 649 HB3 GLU 86 HB1 GLU 86 18.073 -2.993 0.837 650 HG2 GLU 86 HG2 GLU 86 17.281 -3.664 2.933 651 HG3 GLU 86 HG1 GLU 86 15.916 -2.566 2.883 652 H HIS 87 HN HIS 87 20.104 -1.751 0.749 653 HA HIS 87 HA HIS 87 20.211 0.594 -0.976 654 HB2 HIS 87 HB2 HIS 87 22.179 -1.715 -0.672 655 HB3 HIS 87 HB1 HIS 87 22.440 -0.298 -1.678 656 HD1 HIS 87 HD1 HIS 87 23.515 -1.578 1.440 657 HD2 HIS 87 HD2 HIS 87 22.199 2.157 0.153 658 HE1 HIS 87 HE1 HIS 87 24.356 0.070 3.114 659 H HIS 88 HN HIS 88 20.702 -2.863 -1.418 660 HA HIS 88 HA HIS 88 18.570 -3.560 -2.914 661 HB2 HIS 88 HB2 HIS 88 19.608 -1.940 -4.664 662 HB3 HIS 88 HB1 HIS 88 20.923 -3.104 -4.793 663 HD1 HIS 88 HD1 HIS 88 20.580 -4.756 -6.670 664 HD2 HIS 88 HD2 HIS 88 16.997 -3.301 -5.153 665 HE1 HIS 88 HE1 HIS 88 18.753 -5.779 -8.078 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 11.883 11.785 6.742 2 H2 MET 1 HT2 MET 1 10.620 11.250 7.753 3 H3 MET 1 HT3 MET 1 10.505 11.051 6.098 4 HA MET 1 HA MET 1 12.246 9.481 6.079 5 HB2 MET 1 HB2 MET 1 13.544 10.491 7.972 6 HB3 MET 1 HB1 MET 1 12.320 9.913 9.088 7 HG2 MET 1 HG2 MET 1 14.355 8.517 9.042 8 HG3 MET 1 HG1 MET 1 12.892 7.627 8.619 9 HE1 MET 1 HE1 MET 1 14.480 5.673 7.642 10 HE2 MET 1 HE2 MET 1 15.900 6.632 8.057 11 HE3 MET 1 HE3 MET 1 15.732 5.959 6.433 12 H VAL 2 HN VAL 2 11.777 7.246 6.540 13 HA VAL 2 HA VAL 2 9.022 6.812 6.652 14 HB VAL 2 HB VAL 2 9.583 4.335 6.600 15 HG11 VAL 2 HG11 VAL 2 10.835 6.133 4.534 16 HG12 VAL 2 HG12 VAL 2 9.147 5.622 4.580 17 HG13 VAL 2 HG13 VAL 2 10.422 4.438 4.295 18 HG21 VAL 2 HG21 VAL 2 12.411 5.392 6.365 19 HG22 VAL 2 HG22 VAL 2 11.915 3.723 6.094 20 HG23 VAL 2 HG23 VAL 2 11.782 4.431 7.703 21 H THR 3 HN THR 3 8.391 7.701 8.594 22 HA THR 3 HA THR 3 8.741 5.993 10.925 23 HB THR 3 HB THR 3 8.723 8.475 11.254 24 HG1 THR 3 HG1 THR 3 6.595 7.025 12.448 25 HG21 THR 3 HG21 THR 3 6.625 9.748 11.019 26 HG22 THR 3 HG22 THR 3 5.845 8.324 10.332 27 HG23 THR 3 HG23 THR 3 7.166 9.106 9.467 28 H ALA 4 HN ALA 4 6.780 6.511 8.270 29 HA ALA 4 HA ALA 4 5.096 4.269 8.918 30 HB1 ALA 4 HB1 ALA 4 3.126 5.491 7.944 31 HB2 ALA 4 HB2 ALA 4 4.089 6.969 7.938 32 HB3 ALA 4 HB3 ALA 4 3.670 6.198 9.466 33 H ALA 5 HN ALA 5 5.933 3.012 7.418 34 HA ALA 5 HA ALA 5 7.323 3.916 5.145 35 HB1 ALA 5 HB1 ALA 5 7.465 1.536 4.554 36 HB2 ALA 5 HB2 ALA 5 6.297 1.162 5.821 37 HB3 ALA 5 HB3 ALA 5 7.869 1.832 6.243 38 H LEU 6 HN LEU 6 4.213 2.170 5.350 39 HA LEU 6 HA LEU 6 3.309 3.592 3.034 40 HB2 LEU 6 HB2 LEU 6 2.642 1.590 1.779 41 HB3 LEU 6 HB1 LEU 6 4.370 1.705 1.941 42 HG LEU 6 HG LEU 6 2.717 -0.137 3.687 43 HD11 LEU 6 HD11 LEU 6 2.284 -0.818 1.461 44 HD12 LEU 6 HD12 LEU 6 3.486 -1.925 2.131 45 HD13 LEU 6 HD13 LEU 6 3.980 -0.644 1.019 46 HD21 LEU 6 HD21 LEU 6 4.979 0.364 4.466 47 HD22 LEU 6 HD22 LEU 6 5.627 -0.140 2.898 48 HD23 LEU 6 HD23 LEU 6 4.829 -1.315 3.949 49 H THR 7 HN THR 7 1.209 3.838 2.924 50 HA THR 7 HA THR 7 -0.364 2.967 5.240 51 HB THR 7 HB THR 7 -0.892 5.280 3.355 52 HG1 THR 7 HG1 THR 7 0.653 5.062 5.706 53 HG21 THR 7 HG21 THR 7 -1.863 4.679 6.163 54 HG22 THR 7 HG22 THR 7 -2.818 4.502 4.688 55 HG23 THR 7 HG23 THR 7 -2.284 6.102 5.207 56 H ILE 8 HN ILE 8 -1.608 1.318 4.709 57 HA ILE 8 HA ILE 8 -2.561 0.830 2.004 58 HB ILE 8 HB ILE 8 -2.652 -0.752 4.567 59 HG12 ILE 8 HG12 ILE 8 -1.483 -1.463 1.915 60 HG13 ILE 8 HG11 ILE 8 -0.517 -0.705 3.206 61 HG21 ILE 8 HG21 ILE 8 -3.955 -1.474 1.957 62 HG22 ILE 8 HG22 ILE 8 -4.726 -1.157 3.522 63 HG23 ILE 8 HG23 ILE 8 -3.682 -2.574 3.318 64 HD11 ILE 8 HD11 ILE 8 -0.167 -3.085 3.082 65 HD12 ILE 8 HD12 ILE 8 -1.902 -3.384 3.203 66 HD13 ILE 8 HD13 ILE 8 -1.024 -2.705 4.576 67 H TYR 9 HN TYR 9 -4.513 1.262 1.276 68 HA TYR 9 HA TYR 9 -6.715 1.892 3.139 69 HB2 TYR 9 HB2 TYR 9 -6.388 2.538 0.213 70 HB3 TYR 9 HB1 TYR 9 -7.780 2.933 1.195 71 HD1 TYR 9 HD1 TYR 9 -7.213 4.406 3.317 72 HD2 TYR 9 HD2 TYR 9 -4.821 4.127 -0.181 73 HE1 TYR 9 HE1 TYR 9 -6.255 6.608 3.797 74 HE2 TYR 9 HE2 TYR 9 -3.894 6.255 0.243 75 HH TYR 9 HH TYR 9 -4.262 7.938 3.227 76 H THR 10 HN THR 10 -7.684 -0.054 3.490 77 HA THR 10 HA THR 10 -9.227 -1.032 1.335 78 HB THR 10 HB THR 10 -7.046 -2.181 0.901 79 HG1 THR 10 HG1 THR 10 -9.405 -3.683 1.441 80 HG21 THR 10 HG21 THR 10 -6.363 -4.077 2.332 81 HG22 THR 10 HG22 THR 10 -7.614 -3.632 3.490 82 HG23 THR 10 HG23 THR 10 -6.269 -2.535 3.182 83 H THR 11 HN THR 11 -11.050 -2.006 2.111 84 HA THR 11 HA THR 11 -11.035 -2.672 4.920 85 HB THR 11 HB THR 11 -13.425 -2.501 3.032 86 HG1 THR 11 HG1 THR 11 -12.538 -0.645 5.014 87 HG21 THR 11 HG21 THR 11 -14.753 -2.363 5.070 88 HG22 THR 11 HG22 THR 11 -13.300 -2.478 6.052 89 HG23 THR 11 HG23 THR 11 -13.809 -3.857 5.071 90 H SER 12 HN SER 12 -11.983 -4.887 5.416 91 HA SER 12 HA SER 12 -10.604 -6.824 4.005 92 HB2 SER 12 HB2 SER 12 -12.827 -7.038 5.943 93 HB3 SER 12 HB1 SER 12 -11.674 -8.346 5.577 94 HG SER 12 HG SER 12 -11.222 -7.094 7.463 95 H TRP 13 HN TRP 13 -13.551 -5.486 2.984 96 HA TRP 13 HA TRP 13 -14.637 -7.921 1.949 97 HB2 TRP 13 HB2 TRP 13 -16.256 -6.469 0.706 98 HB3 TRP 13 HB1 TRP 13 -16.244 -6.233 2.442 99 HD1 TRP 13 HD1 TRP 13 -15.716 -3.860 3.326 100 HE1 TRP 13 HE1 TRP 13 -15.350 -1.582 2.230 101 HE3 TRP 13 HE3 TRP 13 -15.170 -5.369 -1.528 102 HZ2 TRP 13 HZ2 TRP 13 -14.887 -0.535 -0.344 103 HZ3 TRP 13 HZ3 TRP 13 -14.776 -3.666 -3.245 104 HH2 TRP 13 HH2 TRP 13 -14.639 -1.288 -2.665 105 H CYS 14 HN CYS 14 -12.179 -5.881 0.990 106 HA CYS 14 HA CYS 14 -12.342 -6.401 -1.813 107 HB2 CYS 14 HB2 CYS 14 -9.984 -5.518 -0.127 108 HB3 CYS 14 HB1 CYS 14 -10.114 -5.419 -1.881 109 HG CYS 14 HG CYS 14 -11.673 -3.361 -2.053 110 H GLY 15 HN GLY 15 -11.105 -7.993 -2.950 111 HA2 GLY 15 HA2 GLY 15 -10.742 -10.399 -1.451 112 HA3 GLY 15 HA1 GLY 15 -10.456 -10.195 -3.171 113 H TYR 16 HN TYR 16 -8.586 -8.146 -3.046 114 HA TYR 16 HA TYR 16 -6.267 -9.693 -2.473 115 HB2 TYR 16 HB2 TYR 16 -6.470 -6.884 -3.513 116 HB3 TYR 16 HB1 TYR 16 -4.965 -7.761 -3.315 117 HD1 TYR 16 HD1 TYR 16 -5.284 -10.310 -4.376 118 HD2 TYR 16 HD2 TYR 16 -7.116 -6.719 -5.699 119 HE1 TYR 16 HE1 TYR 16 -5.530 -11.262 -6.615 120 HE2 TYR 16 HE2 TYR 16 -7.377 -7.669 -7.936 121 HH TYR 16 HH TYR 16 -6.882 -10.972 -8.547 122 H CYS 17 HN CYS 17 -8.039 -7.874 -0.394 123 HA CYS 17 HA CYS 17 -6.240 -6.192 0.868 124 HB2 CYS 17 HB2 CYS 17 -7.651 -6.355 2.889 125 HB3 CYS 17 HB1 CYS 17 -8.609 -6.144 1.435 126 HG CYS 17 HG CYS 17 -9.873 -8.482 1.483 127 H LEU 18 HN LEU 18 -6.982 -9.518 1.960 128 HA LEU 18 HA LEU 18 -4.782 -9.549 3.758 129 HB2 LEU 18 HB2 LEU 18 -5.320 -11.802 4.278 130 HB3 LEU 18 HB1 LEU 18 -6.823 -10.942 4.093 131 HG LEU 18 HG LEU 18 -5.637 -12.796 2.020 132 HD11 LEU 18 HD11 LEU 18 -7.375 -14.350 2.729 133 HD12 LEU 18 HD12 LEU 18 -7.820 -13.244 4.025 134 HD13 LEU 18 HD13 LEU 18 -6.225 -13.995 4.014 135 HD21 LEU 18 HD21 LEU 18 -7.129 -11.144 1.036 136 HD22 LEU 18 HD22 LEU 18 -8.382 -11.541 2.213 137 HD23 LEU 18 HD23 LEU 18 -7.877 -12.739 1.019 138 H ARG 19 HN ARG 19 -5.156 -10.368 0.450 139 HA ARG 19 HA ARG 19 -2.955 -12.056 0.052 140 HB2 ARG 19 HB2 ARG 19 -4.628 -11.678 -1.698 141 HB3 ARG 19 HB1 ARG 19 -4.200 -9.981 -1.771 142 HG2 ARG 19 HG2 ARG 19 -3.299 -11.092 -3.693 143 HG3 ARG 19 HG1 ARG 19 -1.970 -10.623 -2.638 144 HD2 ARG 19 HD2 ARG 19 -1.851 -12.910 -1.777 145 HD3 ARG 19 HD1 ARG 19 -3.189 -13.381 -2.828 146 HE ARG 19 HE ARG 19 -0.982 -12.185 -4.216 147 HH11 ARG 19 HH11 ARG 19 -2.306 -15.258 -3.066 148 HH12 ARG 19 HH12 ARG 19 -1.381 -16.207 -4.109 149 HH21 ARG 19 HH21 ARG 19 0.281 -13.477 -5.648 150 HH22 ARG 19 HH22 ARG 19 0.135 -15.184 -5.625 151 H LEU 20 HN LEU 20 -3.310 -8.577 -0.111 152 HA LEU 20 HA LEU 20 -0.622 -7.914 -0.556 153 HB2 LEU 20 HB2 LEU 20 -2.411 -6.412 -1.124 154 HB3 LEU 20 HB1 LEU 20 -2.981 -6.383 0.525 155 HG LEU 20 HG LEU 20 -1.056 -5.134 1.208 156 HD11 LEU 20 HD11 LEU 20 0.636 -5.948 -0.334 157 HD12 LEU 20 HD12 LEU 20 0.514 -4.199 -0.516 158 HD13 LEU 20 HD13 LEU 20 -0.238 -5.270 -1.702 159 HD21 LEU 20 HD21 LEU 20 -1.540 -3.032 -0.003 160 HD22 LEU 20 HD22 LEU 20 -2.984 -3.899 0.507 161 HD23 LEU 20 HD23 LEU 20 -2.469 -3.965 -1.180 162 H LYS 21 HN LYS 21 -2.588 -8.122 2.398 163 HA LYS 21 HA LYS 21 -0.741 -7.140 4.271 164 HB2 LYS 21 HB2 LYS 21 -2.700 -9.386 4.753 165 HB3 LYS 21 HB1 LYS 21 -1.944 -8.388 5.977 166 HG2 LYS 21 HG2 LYS 21 -3.907 -7.451 3.907 167 HG3 LYS 21 HG1 LYS 21 -4.260 -7.799 5.595 168 HD2 LYS 21 HD2 LYS 21 -2.718 -5.990 6.254 169 HD3 LYS 21 HD1 LYS 21 -2.419 -5.662 4.552 170 HE2 LYS 21 HE2 LYS 21 -4.656 -5.079 4.140 171 HE3 LYS 21 HE1 LYS 21 -5.174 -5.628 5.745 172 HZ1 LYS 21 HZ1 LYS 21 -3.422 -3.289 5.174 173 HZ2 LYS 21 HZ2 LYS 21 -3.877 -3.876 6.698 174 HZ3 LYS 21 HZ3 LYS 21 -5.049 -3.262 5.673 175 H THR 22 HN THR 22 -1.406 -10.529 3.411 176 HA THR 22 HA THR 22 0.557 -11.684 4.984 177 HB THR 22 HB THR 22 -0.574 -12.762 2.386 178 HG1 THR 22 HG1 THR 22 -2.387 -12.907 3.433 179 HG21 THR 22 HG21 THR 22 -0.199 -14.954 3.444 180 HG22 THR 22 HG22 THR 22 0.471 -14.158 4.867 181 HG23 THR 22 HG23 THR 22 1.316 -14.058 3.323 182 H ALA 23 HN ALA 23 0.700 -10.524 1.626 183 HA ALA 23 HA ALA 23 3.225 -11.543 0.978 184 HB1 ALA 23 HB1 ALA 23 1.891 -9.031 -0.038 185 HB2 ALA 23 HB2 ALA 23 1.675 -10.650 -0.701 186 HB3 ALA 23 HB3 ALA 23 3.248 -9.859 -0.800 187 H LEU 24 HN LEU 24 2.278 -8.416 2.358 188 HA LEU 24 HA LEU 24 4.943 -7.401 2.510 189 HB2 LEU 24 HB2 LEU 24 2.557 -6.591 4.146 190 HB3 LEU 24 HB1 LEU 24 4.017 -5.664 3.954 191 HG LEU 24 HG LEU 24 1.882 -6.170 1.892 192 HD11 LEU 24 HD11 LEU 24 2.830 -3.723 3.318 193 HD12 LEU 24 HD12 LEU 24 1.296 -4.547 3.563 194 HD13 LEU 24 HD13 LEU 24 1.641 -3.725 2.025 195 HD21 LEU 24 HD21 LEU 24 3.145 -4.606 0.475 196 HD22 LEU 24 HD22 LEU 24 3.974 -6.130 0.688 197 HD23 LEU 24 HD23 LEU 24 4.501 -4.695 1.595 198 H THR 25 HN THR 25 2.834 -8.967 4.823 199 HA THR 25 HA THR 25 4.550 -8.703 7.016 200 HB THR 25 HB THR 25 2.513 -10.905 6.542 201 HG1 THR 25 HG1 THR 25 1.445 -8.957 6.314 202 HG21 THR 25 HG21 THR 25 3.991 -11.265 8.480 203 HG22 THR 25 HG22 THR 25 2.338 -10.917 8.995 204 HG23 THR 25 HG23 THR 25 3.575 -9.665 9.089 205 H ALA 26 HN ALA 26 4.307 -11.179 4.492 206 HA ALA 26 HA ALA 26 6.146 -13.006 5.560 207 HB1 ALA 26 HB1 ALA 26 6.246 -13.941 3.313 208 HB2 ALA 26 HB2 ALA 26 5.476 -12.495 2.666 209 HB3 ALA 26 HB3 ALA 26 4.581 -13.559 3.754 210 H ASN 27 HN ASN 27 6.582 -10.116 3.597 211 HA ASN 27 HA ASN 27 9.434 -10.694 3.287 212 HB2 ASN 27 HB2 ASN 27 7.751 -8.457 2.159 213 HB3 ASN 27 HB1 ASN 27 9.501 -8.475 2.030 214 HD21 ASN 27 HD21 ASN 27 7.284 -11.202 1.705 215 HD22 ASN 27 HD22 ASN 27 7.679 -11.540 0.058 216 H ARG 28 HN ARG 28 7.799 -9.680 5.759 217 HA ARG 28 HA ARG 28 8.113 -8.424 7.577 218 HB2 ARG 28 HB2 ARG 28 10.996 -8.592 6.703 219 HB3 ARG 28 HB1 ARG 28 10.491 -7.881 8.228 220 HG2 ARG 28 HG2 ARG 28 9.456 -10.063 8.830 221 HG3 ARG 28 HG1 ARG 28 10.145 -10.738 7.354 222 HD2 ARG 28 HD2 ARG 28 11.539 -11.202 9.322 223 HD3 ARG 28 HD1 ARG 28 12.382 -10.215 8.127 224 HE ARG 28 HE ARG 28 11.636 -8.278 9.596 225 HH11 ARG 28 HH11 ARG 28 12.518 -11.436 10.921 226 HH12 ARG 28 HH12 ARG 28 12.961 -10.799 12.443 227 HH21 ARG 28 HH21 ARG 28 12.287 -7.448 11.605 228 HH22 ARG 28 HH22 ARG 28 12.875 -8.470 12.838 229 H ILE 29 HN ILE 29 7.090 -7.044 5.632 230 HA ILE 29 HA ILE 29 8.500 -4.498 5.546 231 HB ILE 29 HB ILE 29 5.971 -5.403 4.159 232 HG12 ILE 29 HG12 ILE 29 8.697 -4.907 2.950 233 HG13 ILE 29 HG11 ILE 29 8.136 -6.514 3.426 234 HG21 ILE 29 HG21 ILE 29 6.178 -3.309 2.875 235 HG22 ILE 29 HG22 ILE 29 7.623 -2.905 3.814 236 HG23 ILE 29 HG23 ILE 29 6.069 -2.982 4.615 237 HD11 ILE 29 HD11 ILE 29 6.313 -6.233 1.797 238 HD12 ILE 29 HD12 ILE 29 7.923 -6.205 1.110 239 HD13 ILE 29 HD13 ILE 29 7.029 -4.688 1.314 240 H ALA 30 HN ALA 30 8.042 -3.121 7.071 241 HA ALA 30 HA ALA 30 5.884 -3.349 8.911 242 HB1 ALA 30 HB1 ALA 30 6.751 -1.185 9.699 243 HB2 ALA 30 HB2 ALA 30 7.804 -1.155 8.272 244 HB3 ALA 30 HB3 ALA 30 8.029 -2.399 9.505 245 H TYR 31 HN TYR 31 3.799 -2.774 8.348 246 HA TYR 31 HA TYR 31 3.559 -0.439 6.618 247 HB2 TYR 31 HB2 TYR 31 1.671 -1.461 5.434 248 HB3 TYR 31 HB1 TYR 31 3.166 -2.349 5.194 249 HD1 TYR 31 HD2 TYR 31 3.440 -4.559 6.143 250 HD2 TYR 31 HD1 TYR 31 -0.193 -2.434 6.621 251 HE1 TYR 31 HE2 TYR 31 2.313 -6.658 6.777 252 HE2 TYR 31 HE1 TYR 31 -1.352 -4.504 7.241 253 HH TYR 31 HH TYR 31 0.428 -7.436 7.864 254 H ASP 32 HN ASP 32 1.630 0.645 6.640 255 HA ASP 32 HA ASP 32 0.261 0.528 9.206 256 HB2 ASP 32 HB2 ASP 32 1.088 2.813 7.436 257 HB3 ASP 32 HB1 ASP 32 -0.140 3.021 8.687 258 H GLU 33 HN GLU 33 -1.979 0.691 9.100 259 HA GLU 33 HA GLU 33 -3.161 0.812 6.426 260 HB2 GLU 33 HB2 GLU 33 -4.662 -1.077 7.029 261 HB3 GLU 33 HB1 GLU 33 -2.980 -1.541 6.871 262 HG2 GLU 33 HG2 GLU 33 -2.731 -1.608 9.268 263 HG3 GLU 33 HG1 GLU 33 -4.383 -1.032 9.483 264 H VAL 34 HN VAL 34 -5.071 1.846 6.331 265 HA VAL 34 HA VAL 34 -6.385 2.485 8.825 266 HB VAL 34 HB VAL 34 -4.928 4.441 8.137 267 HG11 VAL 34 HG11 VAL 34 -4.991 4.234 5.752 268 HG12 VAL 34 HG12 VAL 34 -5.513 5.835 6.280 269 HG13 VAL 34 HG13 VAL 34 -6.714 4.659 5.754 270 HG21 VAL 34 HG21 VAL 34 -6.848 4.886 9.506 271 HG22 VAL 34 HG22 VAL 34 -7.882 4.937 8.073 272 HG23 VAL 34 HG23 VAL 34 -6.658 6.179 8.316 273 H ASP 35 HN ASP 35 -8.691 2.739 8.527 274 HA ASP 35 HA ASP 35 -9.463 1.092 6.276 275 HB2 ASP 35 HB2 ASP 35 -10.256 0.385 8.435 276 HB3 ASP 35 HB1 ASP 35 -10.983 1.959 8.735 277 H ILE 36 HN ILE 36 -10.940 1.594 4.772 278 HA ILE 36 HA ILE 36 -11.116 4.404 4.120 279 HB ILE 36 HB ILE 36 -12.047 3.635 1.956 280 HG12 ILE 36 HG12 ILE 36 -11.712 0.885 3.182 281 HG13 ILE 36 HG11 ILE 36 -13.231 1.651 2.766 282 HG21 ILE 36 HG21 ILE 36 -10.001 2.424 1.226 283 HG22 ILE 36 HG22 ILE 36 -9.531 2.292 2.922 284 HG23 ILE 36 HG23 ILE 36 -9.674 3.883 2.165 285 HD11 ILE 36 HD11 ILE 36 -12.579 -0.057 1.201 286 HD12 ILE 36 HD12 ILE 36 -11.090 0.812 0.835 287 HD13 ILE 36 HD13 ILE 36 -12.661 1.525 0.415 288 H GLU 37 HN GLU 37 -13.176 1.967 5.404 289 HA GLU 37 HA GLU 37 -15.583 3.195 4.605 290 HB2 GLU 37 HB2 GLU 37 -15.439 0.803 5.021 291 HB3 GLU 37 HB1 GLU 37 -14.982 1.104 6.687 292 HG2 GLU 37 HG2 GLU 37 -17.163 1.927 7.200 293 HG3 GLU 37 HG1 GLU 37 -17.632 1.865 5.499 294 H HIS 38 HN HIS 38 -13.511 3.270 7.401 295 HA HIS 38 HA HIS 38 -15.264 5.105 8.821 296 HB2 HIS 38 HB2 HIS 38 -12.607 3.905 9.572 297 HB3 HIS 38 HB1 HIS 38 -13.467 5.058 10.584 298 HD1 HIS 38 HD1 HIS 38 -13.759 1.542 9.246 299 HD2 HIS 38 HD2 HIS 38 -15.538 4.038 12.041 300 HE1 HIS 38 HE1 HIS 38 -15.243 0.065 10.666 301 H ASN 39 HN ASN 39 -13.139 5.578 6.384 302 HA ASN 39 HA ASN 39 -12.724 8.349 7.241 303 HB2 ASN 39 HB2 ASN 39 -10.618 6.646 5.891 304 HB3 ASN 39 HB1 ASN 39 -10.512 8.392 6.055 305 HD21 ASN 39 HD21 ASN 39 -10.197 5.358 7.577 306 HD22 ASN 39 HD22 ASN 39 -9.534 5.920 9.058 307 H ARG 40 HN ARG 40 -14.147 9.298 5.991 308 HA ARG 40 HA ARG 40 -14.943 8.304 3.489 309 HB2 ARG 40 HB2 ARG 40 -16.433 9.650 4.853 310 HB3 ARG 40 HB1 ARG 40 -15.380 11.046 4.654 311 HG2 ARG 40 HG2 ARG 40 -15.860 11.172 2.331 312 HG3 ARG 40 HG1 ARG 40 -16.736 9.647 2.363 313 HD2 ARG 40 HD2 ARG 40 -18.394 10.673 3.863 314 HD3 ARG 40 HD1 ARG 40 -17.529 12.204 3.756 315 HE ARG 40 HE ARG 40 -17.975 11.447 1.195 316 HH11 ARG 40 HH11 ARG 40 -20.006 12.178 3.989 317 HH12 ARG 40 HH12 ARG 40 -21.352 12.669 3.070 318 HH21 ARG 40 HH21 ARG 40 -19.816 12.106 -0.068 319 HH22 ARG 40 HH22 ARG 40 -21.254 12.594 0.694 320 H ALA 41 HN ALA 41 -12.726 10.940 4.285 321 HA ALA 41 HA ALA 41 -12.311 11.753 1.617 322 HB1 ALA 41 HB1 ALA 41 -11.707 13.173 3.517 323 HB2 ALA 41 HB2 ALA 41 -10.328 12.912 2.448 324 HB3 ALA 41 HB3 ALA 41 -10.443 12.029 3.970 325 H ALA 42 HN ALA 42 -10.921 9.242 3.563 326 HA ALA 42 HA ALA 42 -8.763 8.680 1.788 327 HB1 ALA 42 HB1 ALA 42 -9.988 6.828 3.856 328 HB2 ALA 42 HB2 ALA 42 -8.698 7.984 4.169 329 HB3 ALA 42 HB3 ALA 42 -8.432 6.650 3.044 330 H ALA 43 HN ALA 43 -12.008 7.372 2.259 331 HA ALA 43 HA ALA 43 -11.918 5.353 0.288 332 HB1 ALA 43 HB1 ALA 43 -14.353 5.389 0.398 333 HB2 ALA 43 HB2 ALA 43 -14.302 6.931 1.249 334 HB3 ALA 43 HB3 ALA 43 -13.660 5.479 2.020 335 H GLU 44 HN GLU 44 -12.758 8.727 0.182 336 HA GLU 44 HA GLU 44 -13.636 8.950 -2.469 337 HB2 GLU 44 HB2 GLU 44 -13.873 10.657 -0.661 338 HB3 GLU 44 HB1 GLU 44 -12.151 10.971 -0.771 339 HG2 GLU 44 HG2 GLU 44 -13.376 12.696 -1.908 340 HG3 GLU 44 HG1 GLU 44 -12.475 11.744 -3.084 341 H PHE 45 HN PHE 45 -10.454 9.223 -0.976 342 HA PHE 45 HA PHE 45 -8.978 9.910 -3.274 343 HB2 PHE 45 HB2 PHE 45 -8.092 10.369 -1.082 344 HB3 PHE 45 HB1 PHE 45 -8.139 8.668 -0.655 345 HD1 PHE 45 HD1 PHE 45 -6.546 11.064 -2.988 346 HD2 PHE 45 HD2 PHE 45 -6.290 7.306 -1.006 347 HE1 PHE 45 HE1 PHE 45 -4.233 10.808 -3.783 348 HE2 PHE 45 HE2 PHE 45 -3.977 7.049 -1.797 349 HZ PHE 45 HZ PHE 45 -2.949 8.801 -3.190 350 H VAL 46 HN VAL 46 -9.234 6.795 -1.566 351 HA VAL 46 HA VAL 46 -7.666 5.349 -3.401 352 HB VAL 46 HB VAL 46 -7.960 4.479 -1.150 353 HG11 VAL 46 HG11 VAL 46 -10.148 5.258 -0.718 354 HG12 VAL 46 HG12 VAL 46 -9.979 3.509 -0.423 355 HG13 VAL 46 HG13 VAL 46 -10.817 4.083 -1.881 356 HG21 VAL 46 HG21 VAL 46 -9.399 2.587 -2.928 357 HG22 VAL 46 HG22 VAL 46 -8.358 2.197 -1.539 358 HG23 VAL 46 HG23 VAL 46 -7.668 2.889 -3.025 359 H GLY 47 HN GLY 47 -10.960 6.251 -3.575 360 HA2 GLY 47 HA2 GLY 47 -11.792 4.352 -5.482 361 HA3 GLY 47 HA1 GLY 47 -12.526 5.934 -5.226 362 H SER 48 HN SER 48 -10.282 7.551 -5.878 363 HA SER 48 HA SER 48 -10.538 7.508 -8.730 364 HB2 SER 48 HB2 SER 48 -8.791 9.243 -6.986 365 HB3 SER 48 HB1 SER 48 -9.193 9.538 -8.678 366 HG SER 48 HG SER 48 -11.490 9.292 -7.681 367 H VAL 49 HN VAL 49 -8.109 6.499 -6.474 368 HA VAL 49 HA VAL 49 -6.157 6.124 -8.608 369 HB VAL 49 HB VAL 49 -4.603 5.410 -6.763 370 HG11 VAL 49 HG11 VAL 49 -6.023 8.033 -6.436 371 HG12 VAL 49 HG12 VAL 49 -4.662 7.710 -7.521 372 HG13 VAL 49 HG13 VAL 49 -4.432 7.660 -5.763 373 HG21 VAL 49 HG21 VAL 49 -6.345 4.600 -5.213 374 HG22 VAL 49 HG22 VAL 49 -6.879 6.271 -5.003 375 HG23 VAL 49 HG23 VAL 49 -5.274 5.790 -4.459 376 H ASN 50 HN ASN 50 -8.687 4.522 -7.819 377 HA ASN 50 HA ASN 50 -7.576 1.883 -7.550 378 HB2 ASN 50 HB2 ASN 50 -10.099 3.068 -7.014 379 HB3 ASN 50 HB1 ASN 50 -10.358 1.791 -8.197 380 HD21 ASN 50 HD21 ASN 50 -7.919 1.898 -5.658 381 HD22 ASN 50 HD22 ASN 50 -8.535 0.520 -4.826 382 H GLY 51 HN GLY 51 -8.639 0.184 -9.044 383 HA2 GLY 51 HA2 GLY 51 -8.186 1.029 -11.793 384 HA3 GLY 51 HA1 GLY 51 -8.253 -0.633 -11.204 385 H GLY 52 HN GLY 52 -10.121 2.143 -12.128 386 HA2 GLY 52 HA2 GLY 52 -12.159 1.871 -13.342 387 HA3 GLY 52 HA1 GLY 52 -12.453 0.399 -12.420 388 H ASN 53 HN ASN 53 -13.182 0.510 -10.335 389 HA ASN 53 HA ASN 53 -13.831 3.141 -9.219 390 HB2 ASN 53 HB2 ASN 53 -15.786 0.806 -9.364 391 HB3 ASN 53 HB1 ASN 53 -16.067 2.295 -8.508 392 HD21 ASN 53 HD21 ASN 53 -15.059 3.986 -10.922 393 HD22 ASN 53 HD22 ASN 53 -16.329 3.826 -12.033 394 H ARG 54 HN ARG 54 -14.666 2.694 -6.866 395 HA ARG 54 HA ARG 54 -12.368 1.545 -5.703 396 HB2 ARG 54 HB2 ARG 54 -13.065 2.328 -3.554 397 HB3 ARG 54 HB1 ARG 54 -13.522 3.537 -4.714 398 HG2 ARG 54 HG2 ARG 54 -15.362 1.631 -3.251 399 HG3 ARG 54 HG1 ARG 54 -15.177 3.349 -2.962 400 HD2 ARG 54 HD2 ARG 54 -17.182 3.195 -4.147 401 HD3 ARG 54 HD1 ARG 54 -16.020 3.606 -5.407 402 HE ARG 54 HE ARG 54 -16.282 0.816 -5.051 403 HH11 ARG 54 HH11 ARG 54 -17.842 3.548 -6.659 404 HH12 ARG 54 HH12 ARG 54 -18.635 2.585 -7.810 405 HH21 ARG 54 HH21 ARG 54 -17.365 -0.497 -6.616 406 HH22 ARG 54 HH22 ARG 54 -18.353 0.201 -7.793 407 H THR 55 HN THR 55 -11.991 -0.441 -5.753 408 HA THR 55 HA THR 55 -13.783 -2.256 -4.371 409 HB THR 55 HB THR 55 -14.523 -2.459 -6.699 410 HG1 THR 55 HG1 THR 55 -14.742 -4.415 -5.897 411 HG21 THR 55 HG21 THR 55 -11.661 -3.200 -7.330 412 HG22 THR 55 HG22 THR 55 -12.477 -1.727 -7.826 413 HG23 THR 55 HG23 THR 55 -13.008 -3.289 -8.465 414 H VAL 56 HN VAL 56 -10.588 -1.422 -5.491 415 HA VAL 56 HA VAL 56 -9.547 -3.807 -4.181 416 HB VAL 56 HB VAL 56 -7.457 -3.342 -5.587 417 HG11 VAL 56 HG11 VAL 56 -8.902 -5.289 -5.923 418 HG12 VAL 56 HG12 VAL 56 -8.396 -4.658 -7.487 419 HG13 VAL 56 HG13 VAL 56 -10.020 -4.328 -6.885 420 HG21 VAL 56 HG21 VAL 56 -8.085 -1.166 -6.445 421 HG22 VAL 56 HG22 VAL 56 -9.495 -1.860 -7.242 422 HG23 VAL 56 HG23 VAL 56 -7.874 -2.303 -7.774 423 HA PRO 57 HA PRO 57 -7.267 -1.467 -1.211 424 HB2 PRO 57 HB2 PRO 57 -4.908 -2.929 -1.245 425 HB3 PRO 57 HB1 PRO 57 -6.337 -3.405 -0.333 426 HG2 PRO 57 HG2 PRO 57 -5.392 -4.352 -2.987 427 HG3 PRO 57 HG1 PRO 57 -6.121 -5.264 -1.658 428 HD2 PRO 57 HD2 PRO 57 -7.567 -4.577 -3.814 429 HD3 PRO 57 HD1 PRO 57 -8.271 -4.568 -2.180 430 H THR 58 HN THR 58 -5.889 0.251 -1.268 431 HA THR 58 HA THR 58 -3.894 0.355 -3.403 432 HB THR 58 HB THR 58 -5.511 2.796 -2.550 433 HG1 THR 58 HG1 THR 58 -6.343 0.768 -3.932 434 HG21 THR 58 HG21 THR 58 -3.770 2.260 -4.970 435 HG22 THR 58 HG22 THR 58 -3.287 3.221 -3.560 436 HG23 THR 58 HG23 THR 58 -4.603 3.767 -4.597 437 H VAL 59 HN VAL 59 -2.055 1.590 -2.866 438 HA VAL 59 HA VAL 59 -1.802 1.963 0.014 439 HB VAL 59 HB VAL 59 -0.912 -0.203 -0.608 440 HG11 VAL 59 HG11 VAL 59 -0.380 0.162 -2.942 441 HG12 VAL 59 HG12 VAL 59 1.034 -0.440 -2.069 442 HG13 VAL 59 HG13 VAL 59 0.919 1.266 -2.489 443 HG21 VAL 59 HG21 VAL 59 1.108 1.862 0.021 444 HG22 VAL 59 HG22 VAL 59 1.395 0.119 0.082 445 HG23 VAL 59 HG23 VAL 59 0.178 0.855 1.162 446 H LYS 60 HN LYS 60 -0.919 3.835 0.588 447 HA LYS 60 HA LYS 60 0.539 5.450 -1.400 448 HB2 LYS 60 HB2 LYS 60 -0.763 6.131 1.194 449 HB3 LYS 60 HB1 LYS 60 0.556 7.154 0.617 450 HG2 LYS 60 HG2 LYS 60 -0.978 7.261 -1.494 451 HG3 LYS 60 HG1 LYS 60 -2.232 6.785 -0.356 452 HD2 LYS 60 HD2 LYS 60 -0.464 9.243 -0.254 453 HD3 LYS 60 HD1 LYS 60 -2.211 9.187 -0.447 454 HE2 LYS 60 HE2 LYS 60 -2.416 8.352 1.901 455 HE3 LYS 60 HE1 LYS 60 -0.661 8.404 2.027 456 HZ1 LYS 60 HZ1 LYS 60 -1.784 10.297 3.018 457 HZ2 LYS 60 HZ2 LYS 60 -2.364 10.779 1.509 458 HZ3 LYS 60 HZ3 LYS 60 -0.702 10.745 1.809 459 H PHE 61 HN PHE 61 2.630 5.730 -1.165 460 HA PHE 61 HA PHE 61 3.987 4.451 1.085 461 HB2 PHE 61 HB2 PHE 61 5.039 5.896 -1.339 462 HB3 PHE 61 HB1 PHE 61 6.044 5.143 -0.109 463 HD1 PHE 61 HD1 PHE 61 3.811 4.609 -2.916 464 HD2 PHE 61 HD2 PHE 61 6.264 2.763 0.016 465 HE1 PHE 61 HE1 PHE 61 3.727 2.533 -4.178 466 HE2 PHE 61 HE2 PHE 61 6.189 0.666 -1.225 467 HZ PHE 61 HZ PHE 61 4.928 0.540 -3.346 468 H ALA 62 HN ALA 62 5.843 5.820 2.058 469 HA ALA 62 HA ALA 62 4.956 8.332 3.023 470 HB1 ALA 62 HB1 ALA 62 7.780 7.238 2.890 471 HB2 ALA 62 HB2 ALA 62 6.638 6.959 4.202 472 HB3 ALA 62 HB3 ALA 62 7.248 8.585 3.894 473 H ASP 63 HN ASP 63 6.281 7.344 0.184 474 HA ASP 63 HA ASP 63 7.510 9.708 -0.880 475 HB2 ASP 63 HB2 ASP 63 8.005 7.404 -1.630 476 HB3 ASP 63 HB1 ASP 63 6.360 7.233 -2.192 477 H GLY 64 HN GLY 64 4.268 8.619 -0.407 478 HA2 GLY 64 HA2 GLY 64 2.347 9.880 -0.623 479 HA3 GLY 64 HA1 GLY 64 3.194 10.987 -1.690 480 H SER 65 HN SER 65 4.112 8.541 -3.231 481 HA SER 65 HA SER 65 2.021 8.595 -5.146 482 HB2 SER 65 HB2 SER 65 4.471 6.851 -4.989 483 HB3 SER 65 HB1 SER 65 3.501 7.153 -6.435 484 HG SER 65 HG SER 65 5.453 8.667 -5.255 485 H THR 66 HN THR 66 0.795 6.782 -5.900 486 HA THR 66 HA THR 66 0.330 4.740 -3.868 487 HB THR 66 HB THR 66 -1.897 4.564 -5.135 488 HG1 THR 66 HG1 THR 66 -1.829 5.824 -6.821 489 HG21 THR 66 HG21 THR 66 -1.693 5.430 -2.848 490 HG22 THR 66 HG22 THR 66 -2.915 6.289 -3.772 491 HG23 THR 66 HG23 THR 66 -1.333 7.034 -3.500 492 H LEU 67 HN LEU 67 -0.082 2.682 -4.528 493 HA LEU 67 HA LEU 67 0.041 2.049 -7.368 494 HB2 LEU 67 HB2 LEU 67 1.408 0.509 -5.138 495 HB3 LEU 67 HB1 LEU 67 1.072 -0.187 -6.704 496 HG LEU 67 HG LEU 67 2.936 2.136 -6.168 497 HD11 LEU 67 HD11 LEU 67 3.512 -0.725 -6.946 498 HD12 LEU 67 HD12 LEU 67 3.768 -0.046 -5.348 499 HD13 LEU 67 HD13 LEU 67 4.709 0.548 -6.718 500 HD21 LEU 67 HD21 LEU 67 3.622 1.791 -8.518 501 HD22 LEU 67 HD22 LEU 67 1.963 2.338 -8.387 502 HD23 LEU 67 HD23 LEU 67 2.305 0.637 -8.723 503 H THR 68 HN THR 68 -1.723 1.094 -7.971 504 HA THR 68 HA THR 68 -3.771 0.327 -6.174 505 HB THR 68 HB THR 68 -3.518 -0.521 -9.070 506 HG1 THR 68 HG1 THR 68 -4.568 2.034 -8.315 507 HG21 THR 68 HG21 THR 68 -5.484 -1.296 -7.808 508 HG22 THR 68 HG22 THR 68 -5.959 -0.138 -9.054 509 HG23 THR 68 HG23 THR 68 -5.856 0.370 -7.368 510 H ASN 69 HN ASN 69 -4.410 -1.832 -5.655 511 HA ASN 69 HA ASN 69 -3.126 -3.508 -4.403 512 HB2 ASN 69 HB2 ASN 69 -4.266 -5.542 -5.254 513 HB3 ASN 69 HB1 ASN 69 -5.318 -4.166 -4.983 514 HD21 ASN 69 HD21 ASN 69 -4.151 -6.445 -7.225 515 HD22 ASN 69 HD22 ASN 69 -5.020 -5.897 -8.612 516 HA PRO 70 HA PRO 70 0.455 -4.962 -6.676 517 HB2 PRO 70 HB2 PRO 70 2.240 -3.856 -4.981 518 HB3 PRO 70 HB1 PRO 70 1.538 -2.980 -6.341 519 HG2 PRO 70 HG2 PRO 70 1.137 -2.521 -3.508 520 HG3 PRO 70 HG1 PRO 70 0.544 -1.564 -4.870 521 HD2 PRO 70 HD2 PRO 70 -0.836 -3.612 -3.273 522 HD3 PRO 70 HD1 PRO 70 -1.500 -2.325 -4.305 523 H SER 71 HN SER 71 2.389 -6.071 -5.717 524 HA SER 71 HA SER 71 1.671 -7.621 -3.344 525 HB2 SER 71 HB2 SER 71 3.568 -8.358 -5.601 526 HB3 SER 71 HB1 SER 71 3.029 -9.413 -4.295 527 HG SER 71 HG SER 71 1.424 -8.256 -6.310 528 H ALA 72 HN ALA 72 3.932 -8.409 -2.279 529 HA ALA 72 HA ALA 72 5.109 -6.122 -1.139 530 HB1 ALA 72 HB1 ALA 72 6.249 -8.905 -1.228 531 HB2 ALA 72 HB2 ALA 72 5.032 -8.348 -0.079 532 HB3 ALA 72 HB3 ALA 72 6.643 -7.632 -0.078 533 H ASP 73 HN ASP 73 6.283 -8.247 -3.685 534 HA ASP 73 HA ASP 73 8.839 -7.238 -4.067 535 HB2 ASP 73 HB2 ASP 73 6.862 -8.265 -6.092 536 HB3 ASP 73 HB1 ASP 73 8.525 -7.866 -6.488 537 H GLU 74 HN GLU 74 5.884 -6.210 -5.646 538 HA GLU 74 HA GLU 74 6.984 -4.198 -7.242 539 HB2 GLU 74 HB2 GLU 74 4.168 -4.571 -6.265 540 HB3 GLU 74 HB1 GLU 74 4.647 -3.390 -7.471 541 HG2 GLU 74 HG2 GLU 74 4.919 -6.373 -7.700 542 HG3 GLU 74 HG1 GLU 74 3.749 -5.350 -8.536 543 H VAL 75 HN VAL 75 5.588 -4.042 -4.015 544 HA VAL 75 HA VAL 75 5.842 -1.192 -4.026 545 HB VAL 75 HB VAL 75 5.192 -1.325 -1.565 546 HG11 VAL 75 HG11 VAL 75 3.366 -2.550 -3.624 547 HG12 VAL 75 HG12 VAL 75 3.532 -0.824 -3.291 548 HG13 VAL 75 HG13 VAL 75 2.844 -1.900 -2.078 549 HG21 VAL 75 HG21 VAL 75 5.888 -3.671 -1.204 550 HG22 VAL 75 HG22 VAL 75 4.577 -4.162 -2.302 551 HG23 VAL 75 HG23 VAL 75 4.197 -3.374 -0.782 552 H LYS 76 HN LYS 76 7.763 -3.837 -2.853 553 HA LYS 76 HA LYS 76 9.518 -2.420 -1.200 554 HB2 LYS 76 HB2 LYS 76 9.945 -4.881 -2.881 555 HB3 LYS 76 HB1 LYS 76 11.202 -4.203 -1.860 556 HG2 LYS 76 HG2 LYS 76 9.903 -4.579 0.107 557 HG3 LYS 76 HG1 LYS 76 8.509 -5.069 -0.857 558 HD2 LYS 76 HD2 LYS 76 9.659 -7.016 0.084 559 HD3 LYS 76 HD1 LYS 76 9.754 -7.016 -1.672 560 HE2 LYS 76 HE2 LYS 76 12.022 -6.139 -1.554 561 HE3 LYS 76 HE1 LYS 76 11.919 -6.085 0.204 562 HZ1 LYS 76 HZ1 LYS 76 13.095 -8.013 -0.577 563 HZ2 LYS 76 HZ2 LYS 76 11.748 -8.545 -1.454 564 HZ3 LYS 76 HZ3 LYS 76 11.698 -8.468 0.233 565 H ALA 77 HN ALA 77 9.340 -2.703 -4.647 566 HA ALA 77 HA ALA 77 11.850 -1.802 -5.431 567 HB1 ALA 77 HB1 ALA 77 10.175 -2.714 -6.972 568 HB2 ALA 77 HB2 ALA 77 10.811 -1.170 -7.538 569 HB3 ALA 77 HB3 ALA 77 9.215 -1.247 -6.792 570 H LYS 78 HN LYS 78 9.004 0.037 -4.498 571 HA LYS 78 HA LYS 78 10.439 2.490 -4.893 572 HB2 LYS 78 HB2 LYS 78 7.641 1.986 -3.935 573 HB3 LYS 78 HB1 LYS 78 8.374 3.584 -3.904 574 HG2 LYS 78 HG2 LYS 78 8.785 3.415 -6.320 575 HG3 LYS 78 HG1 LYS 78 7.972 1.854 -6.329 576 HD2 LYS 78 HD2 LYS 78 6.471 3.584 -7.077 577 HD3 LYS 78 HD1 LYS 78 5.934 2.911 -5.534 578 HE2 LYS 78 HE2 LYS 78 5.658 5.336 -5.565 579 HE3 LYS 78 HE1 LYS 78 6.847 4.878 -4.360 580 HZ1 LYS 78 HZ1 LYS 78 8.608 5.581 -5.912 581 HZ2 LYS 78 HZ2 LYS 78 7.523 6.832 -5.661 582 HZ3 LYS 78 HZ3 LYS 78 7.450 5.933 -7.076 583 H LEU 79 HN LEU 79 9.258 0.568 -2.217 584 HA LEU 79 HA LEU 79 9.705 2.283 -0.092 585 HB2 LEU 79 HB2 LEU 79 8.468 0.177 0.049 586 HB3 LEU 79 HB1 LEU 79 9.963 -0.711 -0.158 587 HG LEU 79 HG LEU 79 10.777 0.204 1.982 588 HD11 LEU 79 HD11 LEU 79 9.221 1.282 3.500 589 HD12 LEU 79 HD12 LEU 79 7.992 1.319 2.233 590 HD13 LEU 79 HD13 LEU 79 9.478 2.252 2.053 591 HD21 LEU 79 HD21 LEU 79 9.338 -1.166 3.405 592 HD22 LEU 79 HD22 LEU 79 9.716 -1.983 1.888 593 HD23 LEU 79 HD23 LEU 79 8.137 -1.234 2.116 594 H VAL 80 HN VAL 80 11.975 0.055 -1.628 595 HA VAL 80 HA VAL 80 14.055 0.253 0.202 596 HB VAL 80 HB VAL 80 13.931 -1.449 -1.596 597 HG11 VAL 80 HG11 VAL 80 13.198 -0.121 -3.443 598 HG12 VAL 80 HG12 VAL 80 14.696 -0.957 -3.863 599 HG13 VAL 80 HG13 VAL 80 14.726 0.761 -3.458 600 HG21 VAL 80 HG21 VAL 80 16.497 0.116 -1.690 601 HG22 VAL 80 HG22 VAL 80 16.299 -1.567 -2.159 602 HG23 VAL 80 HG23 VAL 80 16.071 -1.093 -0.475 603 H LYS 81 HN LYS 81 13.135 2.465 -2.344 604 HA LYS 81 HA LYS 81 15.591 3.986 -2.218 605 HB2 LYS 81 HB2 LYS 81 12.948 4.755 -3.467 606 HB3 LYS 81 HB1 LYS 81 14.487 5.556 -3.710 607 HG2 LYS 81 HG2 LYS 81 15.331 3.474 -4.762 608 HG3 LYS 81 HG1 LYS 81 13.702 2.809 -4.627 609 HD2 LYS 81 HD2 LYS 81 12.844 4.746 -5.955 610 HD3 LYS 81 HD1 LYS 81 14.496 5.304 -6.112 611 HE2 LYS 81 HE2 LYS 81 13.451 2.675 -7.125 612 HE3 LYS 81 HE1 LYS 81 13.782 4.105 -8.097 613 HZ1 LYS 81 HZ1 LYS 81 15.586 2.549 -8.215 614 HZ2 LYS 81 HZ2 LYS 81 15.794 2.525 -6.570 615 HZ3 LYS 81 HZ3 LYS 81 16.129 3.940 -7.452 616 H ILE 82 HN ILE 82 12.307 4.221 -1.097 617 HA ILE 82 HA ILE 82 12.294 6.862 -0.117 618 HB ILE 82 HB ILE 82 10.669 4.532 0.931 619 HG12 ILE 82 HG12 ILE 82 10.005 6.428 -1.330 620 HG13 ILE 82 HG11 ILE 82 10.524 4.759 -1.529 621 HG21 ILE 82 HG21 ILE 82 10.120 7.509 0.933 622 HG22 ILE 82 HG22 ILE 82 10.545 6.526 2.337 623 HG23 ILE 82 HG23 ILE 82 9.012 6.255 1.500 624 HD11 ILE 82 HD11 ILE 82 8.542 3.995 -0.363 625 HD12 ILE 82 HD12 ILE 82 8.128 4.991 -1.758 626 HD13 ILE 82 HD13 ILE 82 8.042 5.668 -0.131 627 H ALA 83 HN ALA 83 13.341 3.862 1.282 628 HA ALA 83 HA ALA 83 13.531 4.744 3.962 629 HB1 ALA 83 HB1 ALA 83 14.781 2.699 4.367 630 HB2 ALA 83 HB2 ALA 83 14.987 2.463 2.633 631 HB3 ALA 83 HB3 ALA 83 13.378 2.373 3.349 632 H GLY 84 HN GLY 84 15.294 5.743 1.352 633 HA2 GLY 84 HA2 GLY 84 17.019 7.292 1.386 634 HA3 GLY 84 HA1 GLY 84 17.345 6.868 3.064 635 H LEU 85 HN LEU 85 17.011 4.606 0.436 636 HA LEU 85 HA LEU 85 19.864 3.947 0.672 637 HB2 LEU 85 HB2 LEU 85 17.578 2.018 0.442 638 HB3 LEU 85 HB1 LEU 85 19.278 1.596 0.566 639 HG LEU 85 HG LEU 85 17.511 2.756 2.726 640 HD11 LEU 85 HD11 LEU 85 17.838 0.568 3.782 641 HD12 LEU 85 HD12 LEU 85 18.725 0.027 2.359 642 HD13 LEU 85 HD13 LEU 85 17.018 0.446 2.226 643 HD21 LEU 85 HD21 LEU 85 19.404 2.344 4.219 644 HD22 LEU 85 HD22 LEU 85 19.786 3.552 2.992 645 HD23 LEU 85 HD23 LEU 85 20.396 1.901 2.830 646 H GLU 86 HN GLU 86 20.470 2.550 -1.162 647 HA GLU 86 HA GLU 86 20.621 1.831 -3.258 648 HB2 GLU 86 HB2 GLU 86 18.426 0.852 -2.933 649 HB3 GLU 86 HB1 GLU 86 17.657 2.356 -3.412 650 HG2 GLU 86 HG2 GLU 86 18.596 2.125 -5.649 651 HG3 GLU 86 HG1 GLU 86 19.379 0.623 -5.166 652 H HIS 87 HN HIS 87 21.721 2.824 -4.695 653 HA HIS 87 HA HIS 87 20.857 5.432 -5.716 654 HB2 HIS 87 HB2 HIS 87 23.449 3.897 -6.173 655 HB3 HIS 87 HB1 HIS 87 23.082 5.457 -6.880 656 HD1 HIS 87 HD1 HIS 87 23.750 7.513 -5.480 657 HD2 HIS 87 HD2 HIS 87 23.840 3.955 -3.321 658 HE1 HIS 87 HE1 HIS 87 24.887 8.040 -3.329 659 H HIS 88 HN HIS 88 19.175 4.850 -7.087 660 HA HIS 88 HA HIS 88 19.951 3.478 -9.491 661 HB2 HIS 88 HB2 HIS 88 19.147 1.655 -8.013 662 HB3 HIS 88 HB1 HIS 88 17.634 2.514 -7.785 663 HD1 HIS 88 HD1 HIS 88 19.455 0.330 -10.232 664 HD2 HIS 88 HD2 HIS 88 15.824 2.324 -9.927 665 HE1 HIS 88 HE1 HIS 88 17.979 -0.611 -12.029 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 15.017 4.992 8.708 2 H2 MET 1 HT2 MET 1 13.415 4.612 8.264 3 H3 MET 1 HT3 MET 1 13.706 5.443 9.672 4 HA MET 1 HA MET 1 14.446 7.344 8.587 5 HB2 MET 1 HB2 MET 1 14.011 5.775 6.041 6 HB3 MET 1 HB1 MET 1 14.182 7.520 6.086 7 HG2 MET 1 HG2 MET 1 16.224 5.476 6.888 8 HG3 MET 1 HG1 MET 1 16.250 6.533 5.486 9 HE1 MET 1 HE1 MET 1 16.781 10.073 7.042 10 HE2 MET 1 HE2 MET 1 15.242 9.325 6.630 11 HE3 MET 1 HE3 MET 1 16.630 9.133 5.555 12 H VAL 2 HN VAL 2 11.923 5.561 6.770 13 HA VAL 2 HA VAL 2 10.178 7.826 7.317 14 HB VAL 2 HB VAL 2 8.599 6.783 5.708 15 HG11 VAL 2 HG11 VAL 2 10.188 8.426 4.904 16 HG12 VAL 2 HG12 VAL 2 9.926 7.190 3.675 17 HG13 VAL 2 HG13 VAL 2 11.396 7.167 4.649 18 HG21 VAL 2 HG21 VAL 2 9.326 4.905 4.303 19 HG22 VAL 2 HG22 VAL 2 9.245 4.428 5.999 20 HG23 VAL 2 HG23 VAL 2 10.805 4.764 5.250 21 H THR 3 HN THR 3 8.966 8.050 8.756 22 HA THR 3 HA THR 3 8.402 6.101 10.664 23 HB THR 3 HB THR 3 6.758 8.565 10.322 24 HG1 THR 3 HG1 THR 3 8.615 9.809 10.913 25 HG21 THR 3 HG21 THR 3 6.681 7.159 12.336 26 HG22 THR 3 HG22 THR 3 7.353 8.773 12.683 27 HG23 THR 3 HG23 THR 3 8.429 7.375 12.488 28 H ALA 4 HN ALA 4 6.910 7.165 7.736 29 HA ALA 4 HA ALA 4 4.750 5.224 8.057 30 HB1 ALA 4 HB1 ALA 4 3.321 6.730 6.697 31 HB2 ALA 4 HB2 ALA 4 4.596 7.948 6.736 32 HB3 ALA 4 HB3 ALA 4 3.776 7.483 8.225 33 H ALA 5 HN ALA 5 5.318 3.677 6.713 34 HA ALA 5 HA ALA 5 7.103 4.223 4.514 35 HB1 ALA 5 HB1 ALA 5 7.072 1.780 4.193 36 HB2 ALA 5 HB2 ALA 5 5.823 1.654 5.433 37 HB3 ALA 5 HB3 ALA 5 7.429 2.235 5.859 38 H LEU 6 HN LEU 6 3.950 2.610 4.751 39 HA LEU 6 HA LEU 6 2.983 4.031 2.477 40 HB2 LEU 6 HB2 LEU 6 2.360 2.074 1.154 41 HB3 LEU 6 HB1 LEU 6 4.087 2.157 1.346 42 HG LEU 6 HG LEU 6 2.445 0.341 3.109 43 HD11 LEU 6 HD11 LEU 6 1.852 -0.261 0.876 44 HD12 LEU 6 HD12 LEU 6 3.013 -1.453 1.474 45 HD13 LEU 6 HD13 LEU 6 3.527 -0.170 0.364 46 HD21 LEU 6 HD21 LEU 6 5.304 0.263 2.144 47 HD22 LEU 6 HD22 LEU 6 4.541 -0.917 3.208 48 HD23 LEU 6 HD23 LEU 6 4.765 0.744 3.751 49 H THR 7 HN THR 7 0.832 4.119 2.450 50 HA THR 7 HA THR 7 -0.527 3.032 4.802 51 HB THR 7 HB THR 7 -1.601 5.072 2.856 52 HG1 THR 7 HG1 THR 7 -0.564 5.966 5.278 53 HG21 THR 7 HG21 THR 7 -3.005 5.687 4.760 54 HG22 THR 7 HG22 THR 7 -2.187 4.487 5.762 55 HG23 THR 7 HG23 THR 7 -3.176 3.970 4.397 56 H ILE 8 HN ILE 8 -1.815 1.389 4.501 57 HA ILE 8 HA ILE 8 -2.621 0.545 1.852 58 HB ILE 8 HB ILE 8 -2.719 -0.764 4.569 59 HG12 ILE 8 HG12 ILE 8 -1.264 -1.511 2.033 60 HG13 ILE 8 HG11 ILE 8 -0.527 -0.744 3.446 61 HG21 ILE 8 HG21 ILE 8 -3.845 -1.863 1.998 62 HG22 ILE 8 HG22 ILE 8 -4.720 -1.403 3.468 63 HG23 ILE 8 HG23 ILE 8 -3.616 -2.776 3.499 64 HD11 ILE 8 HD11 ILE 8 -1.759 -3.483 3.289 65 HD12 ILE 8 HD12 ILE 8 -1.018 -2.754 4.727 66 HD13 ILE 8 HD13 ILE 8 -0.039 -3.110 3.312 67 H TYR 9 HN TYR 9 -4.374 1.409 1.073 68 HA TYR 9 HA TYR 9 -6.636 1.966 2.842 69 HB2 TYR 9 HB2 TYR 9 -6.168 2.683 -0.051 70 HB3 TYR 9 HB1 TYR 9 -7.621 3.067 0.856 71 HD1 TYR 9 HD1 TYR 9 -7.357 4.507 2.924 72 HD2 TYR 9 HD2 TYR 9 -4.365 4.117 -0.047 73 HE1 TYR 9 HE1 TYR 9 -6.356 6.589 3.688 74 HE2 TYR 9 HE2 TYR 9 -3.351 6.206 0.697 75 HH TYR 9 HH TYR 9 -4.302 7.765 3.611 76 H THR 10 HN THR 10 -7.973 0.380 3.122 77 HA THR 10 HA THR 10 -9.168 -0.872 0.896 78 HB THR 10 HB THR 10 -7.112 -2.246 1.088 79 HG1 THR 10 HG1 THR 10 -9.471 -3.617 1.949 80 HG21 THR 10 HG21 THR 10 -6.734 -3.682 3.052 81 HG22 THR 10 HG22 THR 10 -8.123 -2.947 3.850 82 HG23 THR 10 HG23 THR 10 -6.698 -1.973 3.507 83 H THR 11 HN THR 11 -11.103 -1.756 1.500 84 HA THR 11 HA THR 11 -11.998 -1.393 4.208 85 HB THR 11 HB THR 11 -13.861 -2.744 2.603 86 HG1 THR 11 HG1 THR 11 -13.139 -2.291 0.631 87 HG21 THR 11 HG21 THR 11 -14.380 -0.958 4.170 88 HG22 THR 11 HG22 THR 11 -15.007 -0.549 2.569 89 HG23 THR 11 HG23 THR 11 -13.513 0.194 3.161 90 H SER 12 HN SER 12 -12.732 -3.180 5.417 91 HA SER 12 HA SER 12 -11.027 -5.407 5.246 92 HB2 SER 12 HB2 SER 12 -13.521 -5.004 6.880 93 HB3 SER 12 HB1 SER 12 -12.301 -6.247 7.166 94 HG SER 12 HG SER 12 -11.679 -3.465 7.096 95 H TRP 13 HN TRP 13 -14.089 -4.767 3.830 96 HA TRP 13 HA TRP 13 -14.642 -7.540 3.398 97 HB2 TRP 13 HB2 TRP 13 -16.616 -6.693 2.027 98 HB3 TRP 13 HB1 TRP 13 -16.619 -6.371 3.749 99 HD1 TRP 13 HD1 TRP 13 -16.782 -3.917 4.502 100 HE1 TRP 13 HE1 TRP 13 -17.089 -1.682 3.313 101 HE3 TRP 13 HE3 TRP 13 -15.838 -5.453 -0.283 102 HZ2 TRP 13 HZ2 TRP 13 -16.935 -0.679 0.648 103 HZ3 TRP 13 HZ3 TRP 13 -15.935 -3.791 -2.095 104 HH2 TRP 13 HH2 TRP 13 -16.472 -1.454 -1.639 105 H CYS 14 HN CYS 14 -12.463 -5.676 1.974 106 HA CYS 14 HA CYS 14 -12.877 -6.498 -0.745 107 HB2 CYS 14 HB2 CYS 14 -10.492 -5.315 0.685 108 HB3 CYS 14 HB1 CYS 14 -10.525 -5.640 -1.043 109 HG CYS 14 HG CYS 14 -11.681 -3.556 -1.762 110 H GLY 15 HN GLY 15 -11.614 -8.076 -1.849 111 HA2 GLY 15 HA2 GLY 15 -11.159 -10.406 -0.220 112 HA3 GLY 15 HA1 GLY 15 -11.055 -10.302 -1.969 113 H TYR 16 HN TYR 16 -9.143 -8.151 -1.987 114 HA TYR 16 HA TYR 16 -6.813 -9.807 -1.715 115 HB2 TYR 16 HB2 TYR 16 -7.150 -7.024 -2.744 116 HB3 TYR 16 HB1 TYR 16 -5.585 -7.826 -2.667 117 HD1 TYR 16 HD1 TYR 16 -5.734 -10.315 -3.782 118 HD2 TYR 16 HD2 TYR 16 -8.130 -6.965 -4.781 119 HE1 TYR 16 HE1 TYR 16 -6.110 -11.264 -6.010 120 HE2 TYR 16 HE2 TYR 16 -8.537 -7.905 -7.009 121 HH TYR 16 HH TYR 16 -7.729 -11.107 -7.770 122 H CYS 17 HN CYS 17 -8.333 -7.851 0.456 123 HA CYS 17 HA CYS 17 -6.336 -6.204 1.468 124 HB2 CYS 17 HB2 CYS 17 -7.663 -6.094 3.549 125 HB3 CYS 17 HB1 CYS 17 -8.670 -5.920 2.121 126 HG CYS 17 HG CYS 17 -10.198 -8.029 2.495 127 H LEU 18 HN LEU 18 -7.211 -9.445 2.636 128 HA LEU 18 HA LEU 18 -4.836 -9.512 4.247 129 HB2 LEU 18 HB2 LEU 18 -5.537 -11.689 5.063 130 HB3 LEU 18 HB1 LEU 18 -6.830 -10.533 5.173 131 HG LEU 18 HG LEU 18 -7.749 -12.619 4.674 132 HD11 LEU 18 HD11 LEU 18 -7.851 -11.057 2.127 133 HD12 LEU 18 HD12 LEU 18 -8.879 -10.860 3.545 134 HD13 LEU 18 HD13 LEU 18 -8.965 -12.343 2.596 135 HD21 LEU 18 HD21 LEU 18 -5.867 -12.897 2.337 136 HD22 LEU 18 HD22 LEU 18 -7.195 -13.998 2.679 137 HD23 LEU 18 HD23 LEU 18 -5.861 -13.845 3.822 138 H ARG 19 HN ARG 19 -5.692 -10.409 1.126 139 HA ARG 19 HA ARG 19 -3.952 -12.591 0.659 140 HB2 ARG 19 HB2 ARG 19 -5.877 -11.888 -0.801 141 HB3 ARG 19 HB1 ARG 19 -4.898 -10.535 -1.340 142 HG2 ARG 19 HG2 ARG 19 -4.797 -12.243 -3.009 143 HG3 ARG 19 HG1 ARG 19 -3.225 -12.168 -2.211 144 HD2 ARG 19 HD2 ARG 19 -3.963 -14.484 -2.552 145 HD3 ARG 19 HD1 ARG 19 -3.817 -14.098 -0.835 146 HE ARG 19 HE ARG 19 -6.437 -13.632 -1.828 147 HH11 ARG 19 HH11 ARG 19 -4.324 -16.247 -0.725 148 HH12 ARG 19 HH12 ARG 19 -5.602 -17.246 -0.212 149 HH21 ARG 19 HH21 ARG 19 -8.192 -15.005 -1.100 150 HH22 ARG 19 HH22 ARG 19 -7.842 -16.516 -0.408 151 H LEU 20 HN LEU 20 -3.621 -9.090 0.268 152 HA LEU 20 HA LEU 20 -1.036 -9.292 -0.861 153 HB2 LEU 20 HB2 LEU 20 -2.662 -7.348 -1.161 154 HB3 LEU 20 HB1 LEU 20 -2.244 -6.878 0.460 155 HG LEU 20 HG LEU 20 0.132 -6.687 -0.228 156 HD11 LEU 20 HD11 LEU 20 -0.944 -7.110 -2.986 157 HD12 LEU 20 HD12 LEU 20 0.324 -8.035 -2.146 158 HD13 LEU 20 HD13 LEU 20 0.603 -6.374 -2.614 159 HD21 LEU 20 HD21 LEU 20 -0.124 -4.533 -1.395 160 HD22 LEU 20 HD22 LEU 20 -1.220 -4.687 -0.021 161 HD23 LEU 20 HD23 LEU 20 -1.829 -4.899 -1.667 162 H LYS 21 HN LYS 21 -2.269 -9.265 2.340 163 HA LYS 21 HA LYS 21 -0.065 -8.196 3.740 164 HB2 LYS 21 HB2 LYS 21 -2.065 -10.234 4.702 165 HB3 LYS 21 HB1 LYS 21 -0.898 -9.389 5.705 166 HG2 LYS 21 HG2 LYS 21 -3.203 -8.175 4.220 167 HG3 LYS 21 HG1 LYS 21 -3.064 -8.432 5.963 168 HD2 LYS 21 HD2 LYS 21 -0.978 -6.962 5.803 169 HD3 LYS 21 HD1 LYS 21 -1.583 -6.513 4.206 170 HE2 LYS 21 HE2 LYS 21 -3.010 -6.197 6.829 171 HE3 LYS 21 HE1 LYS 21 -2.311 -4.909 5.866 172 HZ1 LYS 21 HZ1 LYS 21 -3.986 -5.394 4.134 173 HZ2 LYS 21 HZ2 LYS 21 -4.685 -5.038 5.642 174 HZ3 LYS 21 HZ3 LYS 21 -4.622 -6.616 5.118 175 H THR 22 HN THR 22 -0.807 -11.442 2.592 176 HA THR 22 HA THR 22 1.045 -12.936 3.965 177 HB THR 22 HB THR 22 0.432 -13.310 1.044 178 HG1 THR 22 HG1 THR 22 -1.261 -13.679 3.313 179 HG21 THR 22 HG21 THR 22 0.698 -15.229 3.374 180 HG22 THR 22 HG22 THR 22 1.924 -14.939 2.143 181 HG23 THR 22 HG23 THR 22 0.391 -15.688 1.699 182 H ALA 23 HN ALA 23 1.375 -11.153 0.921 183 HA ALA 23 HA ALA 23 4.057 -11.927 0.440 184 HB1 ALA 23 HB1 ALA 23 3.980 -10.330 -1.395 185 HB2 ALA 23 HB2 ALA 23 2.516 -9.612 -0.731 186 HB3 ALA 23 HB3 ALA 23 2.484 -11.264 -1.344 187 H LEU 24 HN LEU 24 2.547 -9.087 1.875 188 HA LEU 24 HA LEU 24 4.941 -7.580 2.163 189 HB2 LEU 24 HB2 LEU 24 2.384 -7.426 3.733 190 HB3 LEU 24 HB1 LEU 24 3.672 -6.252 3.847 191 HG LEU 24 HG LEU 24 1.936 -6.763 1.419 192 HD11 LEU 24 HD11 LEU 24 0.703 -5.723 3.216 193 HD12 LEU 24 HD12 LEU 24 1.051 -4.496 1.980 194 HD13 LEU 24 HD13 LEU 24 1.994 -4.560 3.455 195 HD21 LEU 24 HD21 LEU 24 4.116 -4.727 1.926 196 HD22 LEU 24 HD22 LEU 24 2.938 -4.598 0.647 197 HD23 LEU 24 HD23 LEU 24 4.077 -5.930 0.625 198 H THR 25 HN THR 25 3.245 -9.745 4.361 199 HA THR 25 HA THR 25 4.912 -9.256 6.584 200 HB THR 25 HB THR 25 3.246 -11.725 6.019 201 HG1 THR 25 HG1 THR 25 1.899 -10.036 5.864 202 HG21 THR 25 HG21 THR 25 3.099 -11.870 8.482 203 HG22 THR 25 HG22 THR 25 4.131 -10.449 8.627 204 HG23 THR 25 HG23 THR 25 4.780 -11.940 7.949 205 H ALA 26 HN ALA 26 4.990 -11.673 3.995 206 HA ALA 26 HA ALA 26 7.084 -13.270 4.936 207 HB1 ALA 26 HB1 ALA 26 5.641 -13.904 3.065 208 HB2 ALA 26 HB2 ALA 26 7.345 -13.971 2.603 209 HB3 ALA 26 HB3 ALA 26 6.346 -12.618 2.086 210 H ASN 27 HN ASN 27 7.112 -10.137 3.579 211 HA ASN 27 HA ASN 27 10.033 -10.208 3.270 212 HB2 ASN 27 HB2 ASN 27 7.952 -8.412 2.057 213 HB3 ASN 27 HB1 ASN 27 9.670 -8.020 2.024 214 HD21 ASN 27 HD21 ASN 27 7.188 -10.173 0.834 215 HD22 ASN 27 HD22 ASN 27 8.141 -10.857 -0.422 216 H ARG 28 HN ARG 28 7.934 -9.612 5.559 217 HA ARG 28 HA ARG 28 7.679 -8.313 7.356 218 HB2 ARG 28 HB2 ARG 28 10.695 -8.318 7.135 219 HB3 ARG 28 HB1 ARG 28 9.833 -7.726 8.547 220 HG2 ARG 28 HG2 ARG 28 9.638 -10.528 7.458 221 HG3 ARG 28 HG1 ARG 28 10.639 -10.043 8.829 222 HD2 ARG 28 HD2 ARG 28 8.655 -9.369 10.070 223 HD3 ARG 28 HD1 ARG 28 7.634 -9.731 8.682 224 HE ARG 28 HE ARG 28 9.045 -12.026 9.360 225 HH11 ARG 28 HH11 ARG 28 6.510 -9.980 10.778 226 HH12 ARG 28 HH12 ARG 28 5.714 -11.296 11.533 227 HH21 ARG 28 HH21 ARG 28 7.916 -13.779 10.403 228 HH22 ARG 28 HH22 ARG 28 6.511 -13.465 11.329 229 H ILE 29 HN ILE 29 7.035 -6.903 5.264 230 HA ILE 29 HA ILE 29 8.411 -4.359 5.232 231 HB ILE 29 HB ILE 29 5.831 -5.185 3.857 232 HG12 ILE 29 HG12 ILE 29 8.600 -4.958 2.641 233 HG13 ILE 29 HG11 ILE 29 7.920 -6.487 3.205 234 HG21 ILE 29 HG21 ILE 29 6.177 -3.188 2.469 235 HG22 ILE 29 HG22 ILE 29 7.665 -2.834 3.354 236 HG23 ILE 29 HG23 ILE 29 6.125 -2.739 4.183 237 HD11 ILE 29 HD11 ILE 29 6.120 -6.154 1.538 238 HD12 ILE 29 HD12 ILE 29 7.738 -6.316 0.880 239 HD13 ILE 29 HD13 ILE 29 6.980 -4.715 0.969 240 H ALA 30 HN ALA 30 7.920 -2.710 6.474 241 HA ALA 30 HA ALA 30 5.702 -2.838 8.306 242 HB1 ALA 30 HB1 ALA 30 7.861 -1.906 9.006 243 HB2 ALA 30 HB2 ALA 30 6.577 -0.688 9.110 244 HB3 ALA 30 HB3 ALA 30 7.708 -0.675 7.752 245 H TYR 31 HN TYR 31 3.804 -1.763 8.104 246 HA TYR 31 HA TYR 31 3.455 0.226 6.034 247 HB2 TYR 31 HB2 TYR 31 1.436 -1.010 5.146 248 HB3 TYR 31 HB1 TYR 31 2.978 -1.754 4.750 249 HD1 TYR 31 HD1 TYR 31 -0.009 -2.035 6.927 250 HD2 TYR 31 HD2 TYR 31 3.485 -3.966 5.479 251 HE1 TYR 31 HE1 TYR 31 -0.804 -4.170 7.850 252 HE2 TYR 31 HE2 TYR 31 2.698 -6.102 6.406 253 HH TYR 31 HH TYR 31 1.213 -6.878 8.138 254 H ASP 32 HN ASP 32 1.265 1.203 6.197 255 HA ASP 32 HA ASP 32 0.187 1.044 8.934 256 HB2 ASP 32 HB2 ASP 32 1.319 3.210 8.520 257 HB3 ASP 32 HB1 ASP 32 0.348 3.440 7.074 258 H GLU 33 HN GLU 33 -2.059 0.872 9.084 259 HA GLU 33 HA GLU 33 -3.478 0.621 6.503 260 HB2 GLU 33 HB2 GLU 33 -3.868 -0.945 9.035 261 HB3 GLU 33 HB1 GLU 33 -4.906 -1.037 7.624 262 HG2 GLU 33 HG2 GLU 33 -3.020 -1.888 6.325 263 HG3 GLU 33 HG1 GLU 33 -2.011 -1.806 7.776 264 H VAL 34 HN VAL 34 -5.288 1.785 6.304 265 HA VAL 34 HA VAL 34 -6.789 2.411 8.671 266 HB VAL 34 HB VAL 34 -5.477 4.490 8.202 267 HG11 VAL 34 HG11 VAL 34 -5.849 5.833 6.236 268 HG12 VAL 34 HG12 VAL 34 -6.852 4.563 5.547 269 HG13 VAL 34 HG13 VAL 34 -5.129 4.273 5.833 270 HG21 VAL 34 HG21 VAL 34 -7.347 6.066 8.123 271 HG22 VAL 34 HG22 VAL 34 -7.654 4.717 9.217 272 HG23 VAL 34 HG23 VAL 34 -8.415 4.755 7.625 273 H ASP 35 HN ASP 35 -8.891 1.907 8.378 274 HA ASP 35 HA ASP 35 -9.550 0.737 5.816 275 HB2 ASP 35 HB2 ASP 35 -10.166 -0.179 8.124 276 HB3 ASP 35 HB1 ASP 35 -11.381 1.088 8.193 277 H ILE 36 HN ILE 36 -11.085 1.478 4.435 278 HA ILE 36 HA ILE 36 -11.484 4.335 4.531 279 HB ILE 36 HB ILE 36 -12.168 4.208 2.199 280 HG12 ILE 36 HG12 ILE 36 -11.718 1.233 2.472 281 HG13 ILE 36 HG11 ILE 36 -13.308 2.008 2.381 282 HG21 ILE 36 HG21 ILE 36 -9.684 2.633 2.877 283 HG22 ILE 36 HG22 ILE 36 -9.810 4.388 2.747 284 HG23 ILE 36 HG23 ILE 36 -10.015 3.381 1.319 285 HD11 ILE 36 HD11 ILE 36 -12.692 1.030 0.286 286 HD12 ILE 36 HD12 ILE 36 -11.191 1.956 0.253 287 HD13 ILE 36 HD13 ILE 36 -12.756 2.787 0.143 288 H GLU 37 HN GLU 37 -13.345 1.722 5.486 289 HA GLU 37 HA GLU 37 -15.893 2.449 4.581 290 HB2 GLU 37 HB2 GLU 37 -15.256 0.288 5.679 291 HB3 GLU 37 HB1 GLU 37 -15.194 1.136 7.212 292 HG2 GLU 37 HG2 GLU 37 -17.270 0.001 7.110 293 HG3 GLU 37 HG1 GLU 37 -17.599 1.715 6.894 294 H HIS 38 HN HIS 38 -14.112 3.324 7.480 295 HA HIS 38 HA HIS 38 -16.198 5.217 8.222 296 HB2 HIS 38 HB2 HIS 38 -13.698 4.331 9.666 297 HB3 HIS 38 HB1 HIS 38 -14.700 5.650 10.242 298 HD1 HIS 38 HD1 HIS 38 -16.293 4.888 12.028 299 HD2 HIS 38 HD2 HIS 38 -15.474 1.872 9.287 300 HE1 HIS 38 HE1 HIS 38 -17.548 2.871 12.823 301 H ASN 39 HN ASN 39 -13.034 5.190 6.826 302 HA ASN 39 HA ASN 39 -12.907 8.094 7.016 303 HB2 ASN 39 HB2 ASN 39 -10.806 6.086 6.165 304 HB3 ASN 39 HB1 ASN 39 -10.623 7.810 5.900 305 HD21 ASN 39 HD21 ASN 39 -8.918 8.027 7.181 306 HD22 ASN 39 HD22 ASN 39 -8.954 7.788 8.888 307 H ARG 40 HN ARG 40 -14.357 8.817 5.627 308 HA ARG 40 HA ARG 40 -14.639 7.592 3.075 309 HB2 ARG 40 HB2 ARG 40 -16.601 8.394 4.281 310 HB3 ARG 40 HB1 ARG 40 -16.001 10.039 4.182 311 HG2 ARG 40 HG2 ARG 40 -16.426 10.188 1.902 312 HG3 ARG 40 HG1 ARG 40 -16.524 8.435 1.709 313 HD2 ARG 40 HD2 ARG 40 -18.461 10.130 3.269 314 HD3 ARG 40 HD1 ARG 40 -18.739 9.500 1.642 315 HE ARG 40 HE ARG 40 -18.163 7.283 2.969 316 HH11 ARG 40 HH11 ARG 40 -20.385 9.889 3.847 317 HH12 ARG 40 HH12 ARG 40 -21.468 8.889 4.696 318 HH21 ARG 40 HH21 ARG 40 -19.632 5.908 4.147 319 HH22 ARG 40 HH22 ARG 40 -21.031 6.558 4.848 320 H ALA 41 HN ALA 41 -12.880 10.349 4.268 321 HA ALA 41 HA ALA 41 -12.498 11.523 1.700 322 HB1 ALA 41 HB1 ALA 41 -10.625 12.718 2.687 323 HB2 ALA 41 HB2 ALA 41 -10.659 11.678 4.102 324 HB3 ALA 41 HB3 ALA 41 -12.008 12.781 3.782 325 H ALA 42 HN ALA 42 -10.979 9.010 3.524 326 HA ALA 42 HA ALA 42 -8.833 8.570 1.713 327 HB1 ALA 42 HB1 ALA 42 -8.506 6.472 2.879 328 HB2 ALA 42 HB2 ALA 42 -10.042 6.679 3.732 329 HB3 ALA 42 HB3 ALA 42 -8.699 7.792 4.027 330 H ALA 43 HN ALA 43 -12.053 7.200 2.164 331 HA ALA 43 HA ALA 43 -11.984 5.235 0.159 332 HB1 ALA 43 HB1 ALA 43 -14.411 5.302 0.203 333 HB2 ALA 43 HB2 ALA 43 -14.368 6.876 0.988 334 HB3 ALA 43 HB3 ALA 43 -13.799 5.449 1.857 335 H GLU 44 HN GLU 44 -12.777 8.633 0.033 336 HA GLU 44 HA GLU 44 -13.510 8.917 -2.641 337 HB2 GLU 44 HB2 GLU 44 -13.734 10.661 -0.898 338 HB3 GLU 44 HB1 GLU 44 -11.988 10.806 -0.823 339 HG2 GLU 44 HG2 GLU 44 -12.855 12.645 -2.054 340 HG3 GLU 44 HG1 GLU 44 -12.018 11.584 -3.180 341 H PHE 45 HN PHE 45 -10.416 9.337 -1.041 342 HA PHE 45 HA PHE 45 -8.780 9.856 -3.201 343 HB2 PHE 45 HB2 PHE 45 -8.164 10.232 -0.846 344 HB3 PHE 45 HB1 PHE 45 -8.116 8.497 -0.590 345 HD1 PHE 45 HD2 PHE 45 -6.520 11.241 -2.471 346 HD2 PHE 45 HD1 PHE 45 -6.196 7.247 -1.037 347 HE1 PHE 45 HE2 PHE 45 -4.160 11.194 -3.146 348 HE2 PHE 45 HE1 PHE 45 -3.836 7.200 -1.709 349 HZ PHE 45 HZ PHE 45 -2.815 9.173 -2.762 350 H VAL 46 HN VAL 46 -9.169 6.711 -1.542 351 HA VAL 46 HA VAL 46 -7.592 5.326 -3.451 352 HB VAL 46 HB VAL 46 -7.781 4.402 -1.212 353 HG11 VAL 46 HG11 VAL 46 -9.759 3.243 -0.568 354 HG12 VAL 46 HG12 VAL 46 -10.653 4.061 -1.876 355 HG13 VAL 46 HG13 VAL 46 -9.905 5.004 -0.537 356 HG21 VAL 46 HG21 VAL 46 -7.437 2.876 -3.081 357 HG22 VAL 46 HG22 VAL 46 -9.183 2.513 -3.030 358 HG23 VAL 46 HG23 VAL 46 -8.150 2.138 -1.645 359 H GLY 47 HN GLY 47 -11.010 6.005 -3.365 360 HA2 GLY 47 HA2 GLY 47 -11.754 4.154 -5.375 361 HA3 GLY 47 HA1 GLY 47 -12.649 5.598 -4.916 362 H SER 48 HN SER 48 -10.388 7.371 -5.515 363 HA SER 48 HA SER 48 -10.922 7.626 -8.312 364 HB2 SER 48 HB2 SER 48 -9.523 9.724 -8.100 365 HB3 SER 48 HB1 SER 48 -10.966 9.655 -7.087 366 HG SER 48 HG SER 48 -8.777 8.643 -5.776 367 H VAL 49 HN VAL 49 -8.392 6.261 -6.448 368 HA VAL 49 HA VAL 49 -6.593 6.273 -8.777 369 HB VAL 49 HB VAL 49 -4.770 5.710 -7.168 370 HG11 VAL 49 HG11 VAL 49 -5.161 8.048 -7.722 371 HG12 VAL 49 HG12 VAL 49 -4.674 7.882 -6.020 372 HG13 VAL 49 HG13 VAL 49 -6.368 8.142 -6.434 373 HG21 VAL 49 HG21 VAL 49 -6.857 6.191 -5.070 374 HG22 VAL 49 HG22 VAL 49 -5.149 5.839 -4.776 375 HG23 VAL 49 HG23 VAL 49 -6.211 4.610 -5.491 376 H ASN 50 HN ASN 50 -8.923 4.500 -7.863 377 HA ASN 50 HA ASN 50 -7.584 1.921 -7.636 378 HB2 ASN 50 HB2 ASN 50 -10.022 2.940 -6.647 379 HB3 ASN 50 HB1 ASN 50 -10.458 1.720 -7.840 380 HD21 ASN 50 HD21 ASN 50 -7.686 1.860 -5.705 381 HD22 ASN 50 HD22 ASN 50 -8.078 0.410 -4.862 382 H GLY 51 HN GLY 51 -9.208 0.201 -8.901 383 HA2 GLY 51 HA2 GLY 51 -8.940 0.908 -11.693 384 HA3 GLY 51 HA1 GLY 51 -9.339 -0.684 -11.042 385 H GLY 52 HN GLY 52 -10.632 2.581 -11.314 386 HA2 GLY 52 HA2 GLY 52 -12.695 3.174 -12.227 387 HA3 GLY 52 HA1 GLY 52 -13.165 1.480 -12.191 388 H ASN 53 HN ASN 53 -13.326 0.611 -9.889 389 HA ASN 53 HA ASN 53 -14.858 2.535 -8.239 390 HB2 ASN 53 HB2 ASN 53 -16.178 0.723 -9.521 391 HB3 ASN 53 HB1 ASN 53 -15.373 -0.449 -8.491 392 HD21 ASN 53 HD21 ASN 53 -18.177 0.016 -8.752 393 HD22 ASN 53 HD22 ASN 53 -18.779 0.479 -7.212 394 H ARG 54 HN ARG 54 -14.606 2.142 -5.936 395 HA ARG 54 HA ARG 54 -12.004 1.168 -5.315 396 HB2 ARG 54 HB2 ARG 54 -12.268 1.943 -3.079 397 HB3 ARG 54 HB1 ARG 54 -13.192 3.078 -4.029 398 HG2 ARG 54 HG2 ARG 54 -14.337 0.808 -2.392 399 HG3 ARG 54 HG1 ARG 54 -14.271 2.494 -1.898 400 HD2 ARG 54 HD2 ARG 54 -15.804 3.106 -3.649 401 HD3 ARG 54 HD1 ARG 54 -15.759 1.465 -4.311 402 HE ARG 54 HE ARG 54 -16.744 1.984 -1.584 403 HH11 ARG 54 HH11 ARG 54 -17.377 0.792 -4.862 404 HH12 ARG 54 HH12 ARG 54 -18.779 -0.050 -4.434 405 HH21 ARG 54 HH21 ARG 54 -18.645 0.829 -1.008 406 HH22 ARG 54 HH22 ARG 54 -19.509 -0.075 -2.171 407 H THR 55 HN THR 55 -11.459 -0.776 -5.141 408 HA THR 55 HA THR 55 -13.046 -2.714 -3.714 409 HB THR 55 HB THR 55 -14.072 -2.832 -5.942 410 HG1 THR 55 HG1 THR 55 -14.166 -4.909 -5.957 411 HG21 THR 55 HG21 THR 55 -11.303 -3.478 -6.963 412 HG22 THR 55 HG22 THR 55 -12.218 -2.020 -7.311 413 HG23 THR 55 HG23 THR 55 -12.778 -3.582 -7.925 414 H VAL 56 HN VAL 56 -10.078 -1.784 -5.353 415 HA VAL 56 HA VAL 56 -8.766 -4.064 -4.107 416 HB VAL 56 HB VAL 56 -6.847 -3.628 -5.683 417 HG11 VAL 56 HG11 VAL 56 -8.486 -5.412 -6.105 418 HG12 VAL 56 HG12 VAL 56 -7.904 -4.706 -7.607 419 HG13 VAL 56 HG13 VAL 56 -9.498 -4.274 -6.995 420 HG21 VAL 56 HG21 VAL 56 -8.845 -1.835 -7.064 421 HG22 VAL 56 HG22 VAL 56 -7.292 -2.338 -7.729 422 HG23 VAL 56 HG23 VAL 56 -7.348 -1.323 -6.286 423 HA PRO 57 HA PRO 57 -6.765 -1.475 -1.211 424 HB2 PRO 57 HB2 PRO 57 -4.400 -2.875 -0.924 425 HB3 PRO 57 HB1 PRO 57 -5.909 -3.328 -0.131 426 HG2 PRO 57 HG2 PRO 57 -4.666 -4.431 -2.603 427 HG3 PRO 57 HG1 PRO 57 -5.537 -5.272 -1.309 428 HD2 PRO 57 HD2 PRO 57 -6.661 -4.682 -3.701 429 HD3 PRO 57 HD1 PRO 57 -7.607 -4.738 -2.191 430 H THR 58 HN THR 58 -5.660 0.345 -1.457 431 HA THR 58 HA THR 58 -3.671 0.411 -3.602 432 HB THR 58 HB THR 58 -5.282 2.777 -2.599 433 HG1 THR 58 HG1 THR 58 -6.197 0.798 -3.820 434 HG21 THR 58 HG21 THR 58 -3.644 2.340 -5.103 435 HG22 THR 58 HG22 THR 58 -3.157 3.340 -3.720 436 HG23 THR 58 HG23 THR 58 -4.556 3.786 -4.702 437 H VAL 59 HN VAL 59 -1.676 1.258 -3.064 438 HA VAL 59 HA VAL 59 -1.346 1.867 -0.234 439 HB VAL 59 HB VAL 59 1.028 1.235 -0.503 440 HG11 VAL 59 HG11 VAL 59 0.685 -1.193 -0.845 441 HG12 VAL 59 HG12 VAL 59 -0.963 -0.846 -1.392 442 HG13 VAL 59 HG13 VAL 59 -0.472 -0.461 0.260 443 HG21 VAL 59 HG21 VAL 59 1.349 1.746 -2.860 444 HG22 VAL 59 HG22 VAL 59 0.236 0.461 -3.314 445 HG23 VAL 59 HG23 VAL 59 1.772 0.064 -2.542 446 H LYS 60 HN LYS 60 -0.768 3.796 0.349 447 HA LYS 60 HA LYS 60 0.254 5.674 -1.692 448 HB2 LYS 60 HB2 LYS 60 -1.816 6.392 -0.326 449 HB3 LYS 60 HB1 LYS 60 -0.763 6.383 1.081 450 HG2 LYS 60 HG2 LYS 60 0.572 8.144 0.138 451 HG3 LYS 60 HG1 LYS 60 -0.322 8.065 -1.370 452 HD2 LYS 60 HD2 LYS 60 -1.272 9.909 -0.320 453 HD3 LYS 60 HD1 LYS 60 -2.394 8.623 0.082 454 HE2 LYS 60 HE2 LYS 60 -0.210 9.671 1.885 455 HE3 LYS 60 HE1 LYS 60 -1.901 10.144 1.965 456 HZ1 LYS 60 HZ1 LYS 60 -0.771 7.460 2.546 457 HZ2 LYS 60 HZ2 LYS 60 -2.449 7.853 2.571 458 HZ3 LYS 60 HZ3 LYS 60 -1.389 8.570 3.637 459 H PHE 61 HN PHE 61 2.360 5.992 -1.620 460 HA PHE 61 HA PHE 61 3.860 4.886 0.588 461 HB2 PHE 61 HB2 PHE 61 4.782 6.274 -1.928 462 HB3 PHE 61 HB1 PHE 61 5.848 5.542 -0.738 463 HD1 PHE 61 HD1 PHE 61 3.196 4.851 -3.180 464 HD2 PHE 61 HD2 PHE 61 6.280 3.236 -0.748 465 HE1 PHE 61 HE1 PHE 61 2.963 2.736 -4.332 466 HE2 PHE 61 HE2 PHE 61 6.068 1.078 -1.903 467 HZ PHE 61 HZ PHE 61 4.410 0.820 -3.714 468 H ALA 62 HN ALA 62 5.783 6.219 1.340 469 HA ALA 62 HA ALA 62 4.946 8.436 2.780 470 HB1 ALA 62 HB1 ALA 62 6.906 7.080 3.357 471 HB2 ALA 62 HB2 ALA 62 7.302 8.794 3.288 472 HB3 ALA 62 HB3 ALA 62 7.757 7.732 1.959 473 H ASP 63 HN ASP 63 6.170 8.237 -0.478 474 HA ASP 63 HA ASP 63 6.835 11.016 -0.682 475 HB2 ASP 63 HB2 ASP 63 7.318 10.608 -2.987 476 HB3 ASP 63 HB1 ASP 63 7.854 9.188 -2.108 477 H GLY 64 HN GLY 64 3.929 9.265 -0.771 478 HA2 GLY 64 HA2 GLY 64 1.883 10.459 -0.604 479 HA3 GLY 64 HA1 GLY 64 2.555 11.685 -1.664 480 H SER 65 HN SER 65 3.553 9.376 -3.463 481 HA SER 65 HA SER 65 1.153 9.388 -5.058 482 HB2 SER 65 HB2 SER 65 3.777 8.010 -5.625 483 HB3 SER 65 HB1 SER 65 2.532 8.465 -6.795 484 HG SER 65 HG SER 65 4.414 9.972 -5.451 485 H THR 66 HN THR 66 0.250 7.381 -6.001 486 HA THR 66 HA THR 66 0.345 5.200 -4.051 487 HB THR 66 HB THR 66 -1.900 4.616 -4.916 488 HG1 THR 66 HG1 THR 66 -1.999 7.193 -6.074 489 HG21 THR 66 HG21 THR 66 -1.675 5.887 -2.873 490 HG22 THR 66 HG22 THR 66 -3.105 6.405 -3.766 491 HG23 THR 66 HG23 THR 66 -1.637 7.398 -3.785 492 H LEU 67 HN LEU 67 -0.000 3.116 -4.874 493 HA LEU 67 HA LEU 67 0.168 2.714 -7.747 494 HB2 LEU 67 HB2 LEU 67 1.702 1.157 -5.632 495 HB3 LEU 67 HB1 LEU 67 1.489 0.583 -7.271 496 HG LEU 67 HG LEU 67 3.072 3.026 -6.413 497 HD11 LEU 67 HD11 LEU 67 4.147 0.801 -5.928 498 HD12 LEU 67 HD12 LEU 67 5.029 1.789 -7.075 499 HD13 LEU 67 HD13 LEU 67 4.044 0.446 -7.653 500 HD21 LEU 67 HD21 LEU 67 3.791 3.095 -8.778 501 HD22 LEU 67 HD22 LEU 67 2.085 3.451 -8.573 502 HD23 LEU 67 HD23 LEU 67 2.588 1.862 -9.158 503 H THR 68 HN THR 68 -1.621 1.666 -8.362 504 HA THR 68 HA THR 68 -3.535 0.668 -6.564 505 HB THR 68 HB THR 68 -3.198 -0.031 -9.509 506 HG1 THR 68 HG1 THR 68 -4.674 2.199 -8.433 507 HG21 THR 68 HG21 THR 68 -5.648 0.179 -7.741 508 HG22 THR 68 HG22 THR 68 -4.928 -1.322 -8.321 509 HG23 THR 68 HG23 THR 68 -5.655 -0.190 -9.463 510 H ASN 69 HN ASN 69 -3.914 -1.456 -5.850 511 HA ASN 69 HA ASN 69 -2.353 -2.928 -4.655 512 HB2 ASN 69 HB2 ASN 69 -3.476 -5.102 -5.093 513 HB3 ASN 69 HB1 ASN 69 -4.570 -3.762 -4.815 514 HD21 ASN 69 HD21 ASN 69 -5.086 -6.328 -6.097 515 HD22 ASN 69 HD22 ASN 69 -5.634 -5.958 -7.695 516 HA PRO 70 HA PRO 70 1.079 -4.405 -7.175 517 HB2 PRO 70 HB2 PRO 70 2.943 -3.064 -5.845 518 HB3 PRO 70 HB1 PRO 70 1.935 -2.245 -7.047 519 HG2 PRO 70 HG2 PRO 70 1.864 -2.053 -4.090 520 HG3 PRO 70 HG1 PRO 70 1.344 -0.872 -5.307 521 HD2 PRO 70 HD2 PRO 70 -0.252 -2.747 -3.811 522 HD3 PRO 70 HD1 PRO 70 -0.780 -1.569 -5.030 523 H SER 71 HN SER 71 2.485 -6.045 -6.658 524 HA SER 71 HA SER 71 1.954 -7.355 -4.165 525 HB2 SER 71 HB2 SER 71 2.257 -8.582 -6.343 526 HB3 SER 71 HB1 SER 71 3.958 -8.130 -6.299 527 HG SER 71 HG SER 71 2.848 -10.221 -5.204 528 H ALA 72 HN ALA 72 4.054 -8.370 -3.128 529 HA ALA 72 HA ALA 72 5.190 -6.336 -1.552 530 HB1 ALA 72 HB1 ALA 72 4.989 -8.622 -0.789 531 HB2 ALA 72 HB2 ALA 72 6.649 -8.047 -0.647 532 HB3 ALA 72 HB3 ALA 72 6.199 -9.131 -1.964 533 H ASP 73 HN ASP 73 6.594 -8.137 -4.230 534 HA ASP 73 HA ASP 73 9.159 -7.009 -4.080 535 HB2 ASP 73 HB2 ASP 73 8.771 -8.974 -5.420 536 HB3 ASP 73 HB1 ASP 73 7.664 -8.081 -6.462 537 H GLU 74 HN GLU 74 6.292 -5.936 -5.763 538 HA GLU 74 HA GLU 74 7.518 -3.833 -7.213 539 HB2 GLU 74 HB2 GLU 74 4.642 -4.274 -6.442 540 HB3 GLU 74 HB1 GLU 74 5.196 -3.067 -7.597 541 HG2 GLU 74 HG2 GLU 74 6.009 -4.803 -9.064 542 HG3 GLU 74 HG1 GLU 74 5.578 -6.037 -7.880 543 H VAL 75 HN VAL 75 5.760 -3.976 -4.131 544 HA VAL 75 HA VAL 75 6.026 -1.189 -3.729 545 HB VAL 75 HB VAL 75 5.525 -1.685 -1.261 546 HG11 VAL 75 HG11 VAL 75 3.131 -2.101 -1.754 547 HG12 VAL 75 HG12 VAL 75 3.605 -2.570 -3.390 548 HG13 VAL 75 HG13 VAL 75 3.829 -0.900 -2.849 549 HG21 VAL 75 HG21 VAL 75 6.135 -4.074 -1.276 550 HG22 VAL 75 HG22 VAL 75 4.800 -4.355 -2.412 551 HG23 VAL 75 HG23 VAL 75 4.459 -3.826 -0.773 552 H LYS 76 HN LYS 76 7.978 -3.912 -2.679 553 HA LYS 76 HA LYS 76 9.766 -2.543 -1.026 554 HB2 LYS 76 HB2 LYS 76 10.252 -4.897 -2.850 555 HB3 LYS 76 HB1 LYS 76 11.443 -4.287 -1.711 556 HG2 LYS 76 HG2 LYS 76 10.045 -4.847 0.143 557 HG3 LYS 76 HG1 LYS 76 8.711 -5.259 -0.934 558 HD2 LYS 76 HD2 LYS 76 9.762 -7.292 -0.159 559 HD3 LYS 76 HD1 LYS 76 10.075 -7.090 -1.875 560 HE2 LYS 76 HE2 LYS 76 12.312 -6.213 -1.348 561 HE3 LYS 76 HE1 LYS 76 11.985 -6.445 0.369 562 HZ1 LYS 76 HZ1 LYS 76 11.667 -8.848 -0.144 563 HZ2 LYS 76 HZ2 LYS 76 13.228 -8.282 -0.398 564 HZ3 LYS 76 HZ3 LYS 76 12.205 -8.541 -1.720 565 H ALA 77 HN ALA 77 9.785 -2.999 -4.513 566 HA ALA 77 HA ALA 77 12.277 -1.920 -5.098 567 HB1 ALA 77 HB1 ALA 77 9.818 -1.838 -6.825 568 HB2 ALA 77 HB2 ALA 77 10.925 -3.205 -6.687 569 HB3 ALA 77 HB3 ALA 77 11.486 -1.678 -7.370 570 H LYS 78 HN LYS 78 9.195 -0.268 -4.636 571 HA LYS 78 HA LYS 78 10.396 2.246 -5.456 572 HB2 LYS 78 HB2 LYS 78 7.834 1.506 -5.594 573 HB3 LYS 78 HB1 LYS 78 7.796 2.210 -3.980 574 HG2 LYS 78 HG2 LYS 78 9.040 4.214 -5.210 575 HG3 LYS 78 HG1 LYS 78 8.244 3.475 -6.601 576 HD2 LYS 78 HD2 LYS 78 6.083 3.721 -5.537 577 HD3 LYS 78 HD1 LYS 78 6.850 4.463 -4.128 578 HE2 LYS 78 HE2 LYS 78 7.812 6.202 -5.714 579 HE3 LYS 78 HE1 LYS 78 6.783 5.503 -6.946 580 HZ1 LYS 78 HZ1 LYS 78 5.870 6.809 -4.438 581 HZ2 LYS 78 HZ2 LYS 78 4.854 6.024 -5.547 582 HZ3 LYS 78 HZ3 LYS 78 5.726 7.383 -6.013 583 H LEU 79 HN LEU 79 9.215 0.722 -2.520 584 HA LEU 79 HA LEU 79 9.540 2.816 -0.714 585 HB2 LEU 79 HB2 LEU 79 8.168 0.834 -0.355 586 HB3 LEU 79 HB1 LEU 79 9.600 -0.161 -0.279 587 HG LEU 79 HG LEU 79 10.270 0.994 1.788 588 HD11 LEU 79 HD11 LEU 79 7.561 2.314 1.580 589 HD12 LEU 79 HD12 LEU 79 9.113 3.130 1.401 590 HD13 LEU 79 HD13 LEU 79 8.667 2.423 2.950 591 HD21 LEU 79 HD21 LEU 79 8.550 -0.026 3.207 592 HD22 LEU 79 HD22 LEU 79 9.058 -1.087 1.893 593 HD23 LEU 79 HD23 LEU 79 7.521 -0.230 1.790 594 H VAL 80 HN VAL 80 11.811 0.356 -1.790 595 HA VAL 80 HA VAL 80 13.762 0.696 0.209 596 HB VAL 80 HB VAL 80 13.540 -1.228 -1.408 597 HG11 VAL 80 HG11 VAL 80 14.702 -1.170 -3.537 598 HG12 VAL 80 HG12 VAL 80 14.932 0.566 -3.347 599 HG13 VAL 80 HG13 VAL 80 13.303 -0.095 -3.485 600 HG21 VAL 80 HG21 VAL 80 16.268 -0.014 -1.078 601 HG22 VAL 80 HG22 VAL 80 15.947 -1.669 -1.589 602 HG23 VAL 80 HG23 VAL 80 15.437 -1.147 0.011 603 H LYS 81 HN LYS 81 13.130 2.464 -2.727 604 HA LYS 81 HA LYS 81 15.616 3.903 -2.623 605 HB2 LYS 81 HB2 LYS 81 13.170 4.392 -4.331 606 HB3 LYS 81 HB1 LYS 81 14.742 5.150 -4.546 607 HG2 LYS 81 HG2 LYS 81 15.728 2.939 -4.990 608 HG3 LYS 81 HG1 LYS 81 14.127 2.215 -4.829 609 HD2 LYS 81 HD2 LYS 81 13.348 3.639 -6.704 610 HD3 LYS 81 HD1 LYS 81 14.995 4.240 -6.891 611 HE2 LYS 81 HE2 LYS 81 14.126 1.361 -7.160 612 HE3 LYS 81 HE1 LYS 81 14.496 2.443 -8.495 613 HZ1 LYS 81 HZ1 LYS 81 16.425 1.545 -6.407 614 HZ2 LYS 81 HZ2 LYS 81 16.836 2.517 -7.706 615 HZ3 LYS 81 HZ3 LYS 81 16.318 0.960 -7.958 616 H ILE 82 HN ILE 82 12.286 4.406 -1.688 617 HA ILE 82 HA ILE 82 12.457 7.183 -1.096 618 HB ILE 82 HB ILE 82 10.636 5.129 0.189 619 HG12 ILE 82 HG12 ILE 82 10.117 6.855 -2.248 620 HG13 ILE 82 HG11 ILE 82 10.431 5.122 -2.273 621 HG21 ILE 82 HG21 ILE 82 10.684 7.223 1.431 622 HG22 ILE 82 HG22 ILE 82 9.133 7.041 0.606 623 HG23 ILE 82 HG23 ILE 82 10.356 8.129 -0.049 624 HD11 ILE 82 HD11 ILE 82 8.059 5.581 -2.502 625 HD12 ILE 82 HD12 ILE 82 8.078 6.481 -0.987 626 HD13 ILE 82 HD13 ILE 82 8.388 4.747 -0.983 627 H ALA 83 HN ALA 83 12.919 4.259 0.832 628 HA ALA 83 HA ALA 83 13.508 5.670 3.250 629 HB1 ALA 83 HB1 ALA 83 12.652 3.395 3.323 630 HB2 ALA 83 HB2 ALA 83 14.231 3.482 4.109 631 HB3 ALA 83 HB3 ALA 83 14.092 2.811 2.484 632 H GLY 84 HN GLY 84 15.261 4.839 0.459 633 HA2 GLY 84 HA2 GLY 84 17.376 5.399 -0.210 634 HA3 GLY 84 HA1 GLY 84 17.512 6.355 1.257 635 H LEU 85 HN LEU 85 16.846 2.932 1.128 636 HA LEU 85 HA LEU 85 19.185 2.525 2.794 637 HB2 LEU 85 HB2 LEU 85 17.054 0.562 1.956 638 HB3 LEU 85 HB1 LEU 85 18.332 0.238 3.110 639 HG LEU 85 HG LEU 85 16.128 2.267 3.461 640 HD11 LEU 85 HD11 LEU 85 15.257 0.734 5.133 641 HD12 LEU 85 HD12 LEU 85 16.527 -0.423 4.746 642 HD13 LEU 85 HD13 LEU 85 15.299 -0.021 3.543 643 HD21 LEU 85 HD21 LEU 85 18.278 1.322 5.352 644 HD22 LEU 85 HD22 LEU 85 16.946 2.400 5.769 645 HD23 LEU 85 HD23 LEU 85 18.170 2.920 4.616 646 H GLU 86 HN GLU 86 18.501 2.555 -0.390 647 HA GLU 86 HA GLU 86 20.947 1.107 -0.959 648 HB2 GLU 86 HB2 GLU 86 20.029 0.452 -3.161 649 HB3 GLU 86 HB1 GLU 86 19.070 -0.210 -1.849 650 HG2 GLU 86 HG2 GLU 86 17.320 1.356 -2.225 651 HG3 GLU 86 HG1 GLU 86 18.318 2.274 -3.347 652 H HIS 87 HN HIS 87 21.758 2.022 -3.228 653 HA HIS 87 HA HIS 87 21.948 4.852 -2.834 654 HB2 HIS 87 HB2 HIS 87 23.024 3.142 -5.106 655 HB3 HIS 87 HB1 HIS 87 23.380 4.848 -4.891 656 HD1 HIS 87 HD1 HIS 87 25.079 1.852 -4.473 657 HD2 HIS 87 HD2 HIS 87 24.361 5.046 -1.912 658 HE1 HIS 87 HE1 HIS 87 26.879 1.759 -2.732 659 H HIS 88 HN HIS 88 21.053 3.069 -5.781 660 HA HIS 88 HA HIS 88 18.519 3.974 -6.132 661 HB2 HIS 88 HB2 HIS 88 19.576 6.273 -6.338 662 HB3 HIS 88 HB1 HIS 88 20.428 5.694 -7.767 663 HD1 HIS 88 HD1 HIS 88 19.225 6.299 -9.887 664 HD2 HIS 88 HD2 HIS 88 16.650 5.837 -6.674 665 HE1 HIS 88 HE1 HIS 88 16.916 6.761 -10.777 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 12.793 8.348 9.610 2 H2 MET 1 HT2 MET 1 14.228 9.073 9.113 3 H3 MET 1 HT3 MET 1 13.306 8.213 8.014 4 HA MET 1 HA MET 1 12.516 10.704 9.405 5 HB2 MET 1 HB2 MET 1 12.756 11.855 7.326 6 HB3 MET 1 HB1 MET 1 14.244 10.971 7.583 7 HG2 MET 1 HG2 MET 1 13.495 9.255 5.979 8 HG3 MET 1 HG1 MET 1 11.995 10.145 5.757 9 HE1 MET 1 HE1 MET 1 12.376 10.121 3.133 10 HE2 MET 1 HE2 MET 1 13.884 9.234 3.348 11 HE3 MET 1 HE3 MET 1 13.850 10.687 2.351 12 H VAL 2 HN VAL 2 11.238 7.778 8.548 13 HA VAL 2 HA VAL 2 8.801 9.075 7.604 14 HB VAL 2 HB VAL 2 8.220 7.084 6.285 15 HG11 VAL 2 HG11 VAL 2 9.727 7.430 4.394 16 HG12 VAL 2 HG12 VAL 2 10.848 8.286 5.450 17 HG13 VAL 2 HG13 VAL 2 9.248 8.958 5.136 18 HG21 VAL 2 HG21 VAL 2 9.585 5.418 7.473 19 HG22 VAL 2 HG22 VAL 2 11.046 6.147 6.797 20 HG23 VAL 2 HG23 VAL 2 9.874 5.376 5.733 21 H THR 3 HN THR 3 7.270 9.057 8.553 22 HA THR 3 HA THR 3 6.965 7.501 10.942 23 HB THR 3 HB THR 3 5.085 9.535 9.754 24 HG1 THR 3 HG1 THR 3 7.574 9.844 11.060 25 HG21 THR 3 HG21 THR 3 4.450 8.309 11.754 26 HG22 THR 3 HG22 THR 3 4.754 10.035 12.108 27 HG23 THR 3 HG23 THR 3 5.981 8.805 12.488 28 H ALA 4 HN ALA 4 6.058 7.581 7.651 29 HA ALA 4 HA ALA 4 4.318 5.284 7.992 30 HB1 ALA 4 HB1 ALA 4 2.848 7.230 7.593 31 HB2 ALA 4 HB2 ALA 4 2.881 6.172 6.183 32 HB3 ALA 4 HB3 ALA 4 3.816 7.667 6.185 33 H ALA 5 HN ALA 5 4.729 3.810 6.415 34 HA ALA 5 HA ALA 5 7.063 4.384 4.708 35 HB1 ALA 5 HB1 ALA 5 7.219 2.385 6.107 36 HB2 ALA 5 HB2 ALA 5 7.147 1.923 4.401 37 HB3 ALA 5 HB3 ALA 5 5.717 1.773 5.418 38 H LEU 6 HN LEU 6 4.049 2.598 4.491 39 HA LEU 6 HA LEU 6 3.118 4.192 2.443 40 HB2 LEU 6 HB2 LEU 6 2.722 2.444 0.684 41 HB3 LEU 6 HB1 LEU 6 4.395 2.894 0.854 42 HG LEU 6 HG LEU 6 4.296 0.631 0.319 43 HD11 LEU 6 HD11 LEU 6 4.864 0.754 3.230 44 HD12 LEU 6 HD12 LEU 6 5.981 1.012 1.890 45 HD13 LEU 6 HD13 LEU 6 5.279 -0.584 2.159 46 HD21 LEU 6 HD21 LEU 6 2.307 0.218 2.515 47 HD22 LEU 6 HD22 LEU 6 3.059 -1.066 1.544 48 HD23 LEU 6 HD23 LEU 6 2.038 0.153 0.767 49 H THR 7 HN THR 7 1.084 4.278 2.302 50 HA THR 7 HA THR 7 -0.256 2.881 4.478 51 HB THR 7 HB THR 7 -1.119 5.369 3.002 52 HG1 THR 7 HG1 THR 7 0.818 4.911 4.917 53 HG21 THR 7 HG21 THR 7 -2.870 4.214 4.301 54 HG22 THR 7 HG22 THR 7 -2.439 5.757 5.039 55 HG23 THR 7 HG23 THR 7 -1.831 4.251 5.728 56 H ILE 8 HN ILE 8 -1.476 1.339 3.958 57 HA ILE 8 HA ILE 8 -2.501 0.896 1.287 58 HB ILE 8 HB ILE 8 -2.544 -0.761 3.816 59 HG12 ILE 8 HG12 ILE 8 -1.069 -1.279 1.259 60 HG13 ILE 8 HG11 ILE 8 -0.324 -0.503 2.663 61 HG21 ILE 8 HG21 ILE 8 -4.461 -1.288 2.720 62 HG22 ILE 8 HG22 ILE 8 -3.314 -2.608 2.387 63 HG23 ILE 8 HG23 ILE 8 -3.678 -1.398 1.138 64 HD11 ILE 8 HD11 ILE 8 0.231 -2.850 2.545 65 HD12 ILE 8 HD12 ILE 8 -1.480 -3.280 2.511 66 HD13 ILE 8 HD13 ILE 8 -0.783 -2.543 3.955 67 H TYR 9 HN TYR 9 -4.406 1.647 0.778 68 HA TYR 9 HA TYR 9 -6.479 1.970 2.844 69 HB2 TYR 9 HB2 TYR 9 -6.374 3.020 0.023 70 HB3 TYR 9 HB1 TYR 9 -7.664 3.317 1.178 71 HD1 TYR 9 HD1 TYR 9 -6.837 4.422 3.440 72 HD2 TYR 9 HD2 TYR 9 -4.786 4.610 -0.272 73 HE1 TYR 9 HE1 TYR 9 -5.696 6.438 4.194 74 HE2 TYR 9 HE2 TYR 9 -3.639 6.624 0.441 75 HH TYR 9 HH TYR 9 -3.705 7.732 3.707 76 H THR 10 HN THR 10 -7.985 0.531 2.987 77 HA THR 10 HA THR 10 -9.070 -0.729 0.696 78 HB THR 10 HB THR 10 -7.025 -2.054 0.927 79 HG1 THR 10 HG1 THR 10 -9.006 -3.766 1.966 80 HG21 THR 10 HG21 THR 10 -7.977 -2.654 3.729 81 HG22 THR 10 HG22 THR 10 -6.570 -1.687 3.300 82 HG23 THR 10 HG23 THR 10 -6.596 -3.417 2.941 83 H THR 11 HN THR 11 -10.682 -2.380 1.461 84 HA THR 11 HA THR 11 -11.872 -1.661 4.029 85 HB THR 11 HB THR 11 -13.836 -2.870 2.935 86 HG1 THR 11 HG1 THR 11 -13.600 -2.596 0.523 87 HG21 THR 11 HG21 THR 11 -12.846 -0.313 1.707 88 HG22 THR 11 HG22 THR 11 -13.793 -0.444 3.193 89 HG23 THR 11 HG23 THR 11 -14.510 -0.888 1.640 90 H SER 12 HN SER 12 -12.706 -3.468 5.213 91 HA SER 12 HA SER 12 -10.935 -5.669 5.166 92 HB2 SER 12 HB2 SER 12 -13.406 -5.160 6.827 93 HB3 SER 12 HB1 SER 12 -12.207 -6.418 7.131 94 HG SER 12 HG SER 12 -11.513 -3.641 6.983 95 H TRP 13 HN TRP 13 -13.839 -5.001 3.531 96 HA TRP 13 HA TRP 13 -14.555 -7.784 3.263 97 HB2 TRP 13 HB2 TRP 13 -16.402 -6.948 1.730 98 HB3 TRP 13 HB1 TRP 13 -16.483 -6.428 3.399 99 HD1 TRP 13 HD1 TRP 13 -16.694 -3.884 3.822 100 HE1 TRP 13 HE1 TRP 13 -16.777 -1.788 2.329 101 HE3 TRP 13 HE3 TRP 13 -15.282 -5.967 -0.662 102 HZ2 TRP 13 HZ2 TRP 13 -16.309 -1.089 -0.344 103 HZ3 TRP 13 HZ3 TRP 13 -15.126 -4.487 -2.634 104 HH2 TRP 13 HH2 TRP 13 -15.628 -2.086 -2.465 105 H CYS 14 HN CYS 14 -12.237 -6.008 1.918 106 HA CYS 14 HA CYS 14 -12.517 -6.956 -0.788 107 HB2 CYS 14 HB2 CYS 14 -11.528 -4.744 -0.388 108 HB3 CYS 14 HB1 CYS 14 -10.270 -5.462 0.601 109 HG CYS 14 HG CYS 14 -10.487 -5.172 -2.718 110 H GLY 15 HN GLY 15 -11.599 -8.756 -1.606 111 HA2 GLY 15 HA2 GLY 15 -10.414 -10.668 0.179 112 HA3 GLY 15 HA1 GLY 15 -10.692 -10.869 -1.550 113 H TYR 16 HN TYR 16 -9.324 -8.415 -2.218 114 HA TYR 16 HA TYR 16 -6.681 -9.448 -2.394 115 HB2 TYR 16 HB2 TYR 16 -7.928 -6.878 -3.208 116 HB3 TYR 16 HB1 TYR 16 -6.180 -7.044 -3.248 117 HD1 TYR 16 HD2 TYR 16 -5.492 -9.432 -4.407 118 HD2 TYR 16 HD1 TYR 16 -8.997 -7.157 -5.187 119 HE1 TYR 16 HE2 TYR 16 -5.655 -10.449 -6.652 120 HE2 TYR 16 HE1 TYR 16 -9.172 -8.168 -7.418 121 HH TYR 16 HH TYR 16 -7.533 -9.170 -9.025 122 H CYS 17 HN CYS 17 -8.262 -7.547 -0.084 123 HA CYS 17 HA CYS 17 -6.158 -6.071 1.000 124 HB2 CYS 17 HB2 CYS 17 -8.423 -5.632 1.694 125 HB3 CYS 17 HB1 CYS 17 -8.597 -7.267 2.323 126 HG CYS 17 HG CYS 17 -8.252 -6.369 4.669 127 H LEU 18 HN LEU 18 -7.433 -9.131 2.134 128 HA LEU 18 HA LEU 18 -5.317 -9.586 3.909 129 HB2 LEU 18 HB2 LEU 18 -6.295 -11.892 4.033 130 HB3 LEU 18 HB1 LEU 18 -7.373 -10.574 4.424 131 HG LEU 18 HG LEU 18 -8.132 -10.798 1.942 132 HD11 LEU 18 HD11 LEU 18 -7.012 -13.542 2.358 133 HD12 LEU 18 HD12 LEU 18 -6.494 -12.308 1.197 134 HD13 LEU 18 HD13 LEU 18 -8.095 -13.033 1.049 135 HD21 LEU 18 HD21 LEU 18 -9.567 -11.156 3.815 136 HD22 LEU 18 HD22 LEU 18 -8.931 -12.791 4.038 137 HD23 LEU 18 HD23 LEU 18 -9.859 -12.386 2.585 138 H ARG 19 HN ARG 19 -5.773 -10.318 0.575 139 HA ARG 19 HA ARG 19 -3.829 -12.302 0.153 140 HB2 ARG 19 HB2 ARG 19 -5.576 -11.442 -1.479 141 HB3 ARG 19 HB1 ARG 19 -4.515 -10.070 -1.753 142 HG2 ARG 19 HG2 ARG 19 -4.133 -11.622 -3.507 143 HG3 ARG 19 HG1 ARG 19 -2.734 -11.709 -2.430 144 HD2 ARG 19 HD2 ARG 19 -3.468 -13.953 -3.074 145 HD3 ARG 19 HD1 ARG 19 -3.695 -13.688 -1.344 146 HE ARG 19 HE ARG 19 -5.980 -13.067 -2.967 147 HH11 ARG 19 HH11 ARG 19 -4.389 -15.662 -1.159 148 HH12 ARG 19 HH12 ARG 19 -5.821 -16.552 -0.924 149 HH21 ARG 19 HH21 ARG 19 -7.899 -14.282 -2.682 150 HH22 ARG 19 HH22 ARG 19 -7.889 -15.748 -1.812 151 H LEU 20 HN LEU 20 -3.717 -8.793 -0.100 152 HA LEU 20 HA LEU 20 -0.997 -8.604 -0.718 153 HB2 LEU 20 HB2 LEU 20 -2.551 -6.902 -1.372 154 HB3 LEU 20 HB1 LEU 20 -3.008 -6.617 0.290 155 HG LEU 20 HG LEU 20 -0.788 -5.793 0.755 156 HD11 LEU 20 HD11 LEU 20 0.708 -5.161 -1.146 157 HD12 LEU 20 HD12 LEU 20 -0.350 -6.057 -2.233 158 HD13 LEU 20 HD13 LEU 20 0.532 -6.902 -0.961 159 HD21 LEU 20 HD21 LEU 20 -2.612 -4.287 0.190 160 HD22 LEU 20 HD22 LEU 20 -2.119 -4.353 -1.516 161 HD23 LEU 20 HD23 LEU 20 -1.039 -3.666 -0.299 162 H LYS 21 HN LYS 21 -2.822 -8.348 2.308 163 HA LYS 21 HA LYS 21 -0.789 -7.412 3.992 164 HB2 LYS 21 HB2 LYS 21 -2.937 -9.403 4.750 165 HB3 LYS 21 HB1 LYS 21 -1.980 -8.452 5.867 166 HG2 LYS 21 HG2 LYS 21 -3.999 -7.392 3.907 167 HG3 LYS 21 HG1 LYS 21 -4.227 -7.600 5.641 168 HD2 LYS 21 HD2 LYS 21 -2.495 -5.922 6.068 169 HD3 LYS 21 HD1 LYS 21 -2.250 -5.740 4.330 170 HE2 LYS 21 HE2 LYS 21 -3.691 -3.964 5.200 171 HE3 LYS 21 HE1 LYS 21 -4.565 -5.006 4.064 172 HZ1 LYS 21 HZ1 LYS 21 -4.764 -4.957 7.027 173 HZ2 LYS 21 HZ2 LYS 21 -5.481 -6.157 6.079 174 HZ3 LYS 21 HZ3 LYS 21 -5.960 -4.555 5.915 175 H THR 22 HN THR 22 -1.649 -10.751 3.121 176 HA THR 22 HA THR 22 0.224 -12.069 4.707 177 HB THR 22 HB THR 22 -0.891 -12.915 2.017 178 HG1 THR 22 HG1 THR 22 -2.017 -12.599 4.466 179 HG21 THR 22 HG21 THR 22 0.240 -14.549 4.301 180 HG22 THR 22 HG22 THR 22 1.018 -14.292 2.739 181 HG23 THR 22 HG23 THR 22 -0.490 -15.203 2.834 182 H ALA 23 HN ALA 23 0.472 -10.887 1.366 183 HA ALA 23 HA ALA 23 2.988 -11.961 0.779 184 HB1 ALA 23 HB1 ALA 23 3.024 -10.402 -1.100 185 HB2 ALA 23 HB2 ALA 23 1.686 -9.496 -0.381 186 HB3 ALA 23 HB3 ALA 23 1.438 -11.151 -0.931 187 H LEU 24 HN LEU 24 2.080 -8.845 2.164 188 HA LEU 24 HA LEU 24 4.794 -7.874 2.230 189 HB2 LEU 24 HB2 LEU 24 2.436 -6.930 3.806 190 HB3 LEU 24 HB1 LEU 24 3.934 -6.057 3.597 191 HG LEU 24 HG LEU 24 1.784 -6.542 1.532 192 HD11 LEU 24 HD11 LEU 24 1.330 -4.739 3.083 193 HD12 LEU 24 HD12 LEU 24 1.765 -4.046 1.500 194 HD13 LEU 24 HD13 LEU 24 2.932 -4.090 2.801 195 HD21 LEU 24 HD21 LEU 24 4.495 -5.267 1.132 196 HD22 LEU 24 HD22 LEU 24 3.146 -5.150 0.023 197 HD23 LEU 24 HD23 LEU 24 3.884 -6.711 0.305 198 H THR 25 HN THR 25 2.700 -9.472 4.501 199 HA THR 25 HA THR 25 4.317 -9.153 6.776 200 HB THR 25 HB THR 25 2.341 -11.344 6.090 201 HG1 THR 25 HG1 THR 25 1.371 -9.355 6.087 202 HG21 THR 25 HG21 THR 25 3.794 -12.012 7.973 203 HG22 THR 25 HG22 THR 25 2.148 -11.705 8.525 204 HG23 THR 25 HG23 THR 25 3.410 -10.508 8.808 205 H ALA 26 HN ALA 26 4.230 -11.677 4.283 206 HA ALA 26 HA ALA 26 6.131 -13.389 5.467 207 HB1 ALA 26 HB1 ALA 26 4.558 -14.112 3.730 208 HB2 ALA 26 HB2 ALA 26 6.227 -14.492 3.304 209 HB3 ALA 26 HB3 ALA 26 5.413 -13.119 2.550 210 H ASN 27 HN ASN 27 6.458 -10.594 3.414 211 HA ASN 27 HA ASN 27 9.304 -11.127 3.065 212 HB2 ASN 27 HB2 ASN 27 7.485 -9.089 1.810 213 HB3 ASN 27 HB1 ASN 27 9.236 -8.998 1.653 214 HD21 ASN 27 HD21 ASN 27 6.349 -10.742 0.749 215 HD22 ASN 27 HD22 ASN 27 7.095 -11.704 -0.461 216 H ARG 28 HN ARG 28 7.526 -9.765 5.408 217 HA ARG 28 HA ARG 28 7.827 -8.270 7.064 218 HB2 ARG 28 HB2 ARG 28 10.670 -8.995 6.467 219 HB3 ARG 28 HB1 ARG 28 10.288 -7.802 7.697 220 HG2 ARG 28 HG2 ARG 28 8.973 -9.475 8.898 221 HG3 ARG 28 HG1 ARG 28 9.378 -10.673 7.662 222 HD2 ARG 28 HD2 ARG 28 11.681 -10.527 8.161 223 HD3 ARG 28 HD1 ARG 28 11.434 -9.132 9.207 224 HE ARG 28 HE ARG 28 9.946 -11.195 10.255 225 HH11 ARG 28 HH11 ARG 28 13.361 -10.571 9.545 226 HH12 ARG 28 HH12 ARG 28 13.960 -11.399 10.902 227 HH21 ARG 28 HH21 ARG 28 10.786 -12.357 12.146 228 HH22 ARG 28 HH22 ARG 28 12.463 -12.439 12.408 229 H ILE 29 HN ILE 29 7.032 -7.032 5.039 230 HA ILE 29 HA ILE 29 8.778 -4.784 4.457 231 HB ILE 29 HB ILE 29 6.026 -5.558 3.411 232 HG12 ILE 29 HG12 ILE 29 8.721 -5.609 2.047 233 HG13 ILE 29 HG11 ILE 29 7.953 -7.015 2.771 234 HG21 ILE 29 HG21 ILE 29 7.843 -3.321 2.491 235 HG22 ILE 29 HG22 ILE 29 6.329 -3.113 3.364 236 HG23 ILE 29 HG23 ILE 29 6.319 -3.790 1.732 237 HD11 ILE 29 HD11 ILE 29 6.136 -6.791 1.148 238 HD12 ILE 29 HD12 ILE 29 7.710 -7.015 0.404 239 HD13 ILE 29 HD13 ILE 29 6.967 -5.409 0.426 240 H ALA 30 HN ALA 30 8.351 -2.740 5.240 241 HA ALA 30 HA ALA 30 6.618 -2.603 7.545 242 HB1 ALA 30 HB1 ALA 30 8.327 -0.499 6.213 243 HB2 ALA 30 HB2 ALA 30 8.802 -1.494 7.590 244 HB3 ALA 30 HB3 ALA 30 7.503 -0.311 7.760 245 H TYR 31 HN TYR 31 4.500 -2.235 7.268 246 HA TYR 31 HA TYR 31 3.704 -0.328 5.197 247 HB2 TYR 31 HB2 TYR 31 1.775 -1.740 4.593 248 HB3 TYR 31 HB1 TYR 31 3.308 -2.518 4.221 249 HD1 TYR 31 HD1 TYR 31 4.069 -4.431 5.599 250 HD2 TYR 31 HD2 TYR 31 0.229 -2.696 6.160 251 HE1 TYR 31 HE1 TYR 31 3.365 -6.420 6.834 252 HE2 TYR 31 HE2 TYR 31 -0.493 -4.688 7.406 253 HH TYR 31 HH TYR 31 0.105 -7.001 7.654 254 H ASP 32 HN ASP 32 1.816 0.721 5.492 255 HA ASP 32 HA ASP 32 0.865 0.846 8.256 256 HB2 ASP 32 HB2 ASP 32 1.214 2.893 6.090 257 HB3 ASP 32 HB1 ASP 32 0.202 3.220 7.500 258 H GLU 33 HN GLU 33 -1.134 0.010 8.403 259 HA GLU 33 HA GLU 33 -2.831 0.183 6.007 260 HB2 GLU 33 HB2 GLU 33 -3.975 -1.844 6.777 261 HB3 GLU 33 HB1 GLU 33 -2.268 -2.133 6.500 262 HG2 GLU 33 HG2 GLU 33 -1.862 -2.033 8.909 263 HG3 GLU 33 HG1 GLU 33 -3.577 -1.721 9.180 264 H VAL 34 HN VAL 34 -4.649 1.218 6.104 265 HA VAL 34 HA VAL 34 -5.938 1.547 8.650 266 HB VAL 34 HB VAL 34 -4.693 3.703 8.334 267 HG11 VAL 34 HG11 VAL 34 -4.469 3.666 5.919 268 HG12 VAL 34 HG12 VAL 34 -5.055 5.193 6.565 269 HG13 VAL 34 HG13 VAL 34 -6.189 4.100 5.787 270 HG21 VAL 34 HG21 VAL 34 -7.655 3.958 7.903 271 HG22 VAL 34 HG22 VAL 34 -6.593 5.269 8.388 272 HG23 VAL 34 HG23 VAL 34 -6.805 3.877 9.449 273 H ASP 35 HN ASP 35 -8.094 1.249 8.472 274 HA ASP 35 HA ASP 35 -8.944 0.318 5.854 275 HB2 ASP 35 HB2 ASP 35 -9.390 -1.089 7.819 276 HB3 ASP 35 HB1 ASP 35 -10.286 0.210 8.581 277 H ILE 36 HN ILE 36 -10.640 1.243 4.745 278 HA ILE 36 HA ILE 36 -10.812 4.082 5.233 279 HB ILE 36 HB ILE 36 -11.858 4.279 3.033 280 HG12 ILE 36 HG12 ILE 36 -11.444 1.294 2.919 281 HG13 ILE 36 HG11 ILE 36 -13.008 2.085 3.052 282 HG21 ILE 36 HG21 ILE 36 -9.442 4.398 3.307 283 HG22 ILE 36 HG22 ILE 36 -9.867 3.646 1.772 284 HG23 ILE 36 HG23 ILE 36 -9.322 2.647 3.121 285 HD11 ILE 36 HD11 ILE 36 -12.609 1.382 0.761 286 HD12 ILE 36 HD12 ILE 36 -11.079 2.241 0.739 287 HD13 ILE 36 HD13 ILE 36 -12.598 3.141 0.849 288 H GLU 37 HN GLU 37 -12.852 1.592 6.175 289 HA GLU 37 HA GLU 37 -15.307 2.715 5.443 290 HB2 GLU 37 HB2 GLU 37 -14.582 0.767 7.585 291 HB3 GLU 37 HB1 GLU 37 -16.258 1.242 7.267 292 HG2 GLU 37 HG2 GLU 37 -14.361 -0.064 5.328 293 HG3 GLU 37 HG1 GLU 37 -15.686 -0.850 6.190 294 H HIS 38 HN HIS 38 -13.239 3.509 8.077 295 HA HIS 38 HA HIS 38 -15.344 5.222 9.169 296 HB2 HIS 38 HB2 HIS 38 -12.671 4.438 10.359 297 HB3 HIS 38 HB1 HIS 38 -13.798 5.563 11.114 298 HD1 HIS 38 HD1 HIS 38 -13.161 1.932 10.624 299 HD2 HIS 38 HD2 HIS 38 -16.211 4.372 12.034 300 HE1 HIS 38 HE1 HIS 38 -14.761 0.413 11.830 301 H ASN 39 HN ASN 39 -13.059 5.428 6.895 302 HA ASN 39 HA ASN 39 -12.729 8.303 7.339 303 HB2 ASN 39 HB2 ASN 39 -10.629 6.427 6.193 304 HB3 ASN 39 HB1 ASN 39 -10.532 8.173 6.073 305 HD21 ASN 39 HD21 ASN 39 -8.665 6.381 7.293 306 HD22 ASN 39 HD22 ASN 39 -8.533 6.840 8.946 307 H ARG 40 HN ARG 40 -14.401 8.837 6.081 308 HA ARG 40 HA ARG 40 -15.044 7.447 3.687 309 HB2 ARG 40 HB2 ARG 40 -16.674 8.591 5.223 310 HB3 ARG 40 HB1 ARG 40 -16.123 10.122 4.565 311 HG2 ARG 40 HG2 ARG 40 -16.894 9.467 2.347 312 HG3 ARG 40 HG1 ARG 40 -17.405 7.901 2.980 313 HD2 ARG 40 HD2 ARG 40 -18.921 9.100 4.547 314 HD3 ARG 40 HD1 ARG 40 -18.481 10.606 3.747 315 HE ARG 40 HE ARG 40 -19.408 8.650 1.913 316 HH11 ARG 40 HH11 ARG 40 -20.561 11.063 4.248 317 HH12 ARG 40 HH12 ARG 40 -22.104 11.182 3.543 318 HH21 ARG 40 HH21 ARG 40 -21.527 8.859 0.951 319 HH22 ARG 40 HH22 ARG 40 -22.656 9.941 1.631 320 H ALA 41 HN ALA 41 -13.204 10.346 4.344 321 HA ALA 41 HA ALA 41 -13.181 11.276 1.628 322 HB1 ALA 41 HB1 ALA 41 -11.425 12.796 2.347 323 HB2 ALA 41 HB2 ALA 41 -11.240 11.906 3.854 324 HB3 ALA 41 HB3 ALA 41 -12.730 12.799 3.540 325 H ALA 42 HN ALA 42 -11.146 9.265 3.639 326 HA ALA 42 HA ALA 42 -9.096 8.915 1.717 327 HB1 ALA 42 HB1 ALA 42 -8.742 8.432 4.108 328 HB2 ALA 42 HB2 ALA 42 -8.342 7.054 3.087 329 HB3 ALA 42 HB3 ALA 42 -9.861 7.070 3.987 330 H ALA 43 HN ALA 43 -12.092 7.242 2.439 331 HA ALA 43 HA ALA 43 -11.837 5.072 0.687 332 HB1 ALA 43 HB1 ALA 43 -14.274 4.909 0.797 333 HB2 ALA 43 HB2 ALA 43 -14.364 6.538 1.459 334 HB3 ALA 43 HB3 ALA 43 -13.612 5.248 2.399 335 H GLU 44 HN GLU 44 -13.079 8.316 0.193 336 HA GLU 44 HA GLU 44 -13.836 8.034 -2.499 337 HB2 GLU 44 HB2 GLU 44 -14.467 9.923 -0.969 338 HB3 GLU 44 HB1 GLU 44 -12.822 10.521 -1.096 339 HG2 GLU 44 HG2 GLU 44 -14.215 11.795 -2.542 340 HG3 GLU 44 HG1 GLU 44 -13.157 10.786 -3.531 341 H PHE 45 HN PHE 45 -10.848 9.144 -0.955 342 HA PHE 45 HA PHE 45 -9.301 9.760 -3.171 343 HB2 PHE 45 HB2 PHE 45 -8.597 10.304 -0.887 344 HB3 PHE 45 HB1 PHE 45 -8.427 8.596 -0.521 345 HD1 PHE 45 HD1 PHE 45 -7.006 11.370 -2.493 346 HD2 PHE 45 HD2 PHE 45 -6.422 7.394 -1.060 347 HE1 PHE 45 HE1 PHE 45 -4.642 11.455 -3.188 348 HE2 PHE 45 HE2 PHE 45 -4.079 7.487 -1.748 349 HZ PHE 45 HZ PHE 45 -3.181 9.506 -2.813 350 H VAL 46 HN VAL 46 -9.250 6.675 -1.381 351 HA VAL 46 HA VAL 46 -7.602 5.379 -3.269 352 HB VAL 46 HB VAL 46 -7.627 4.470 -1.044 353 HG11 VAL 46 HG11 VAL 46 -9.812 5.059 -0.349 354 HG12 VAL 46 HG12 VAL 46 -9.495 3.316 -0.156 355 HG13 VAL 46 HG13 VAL 46 -10.511 3.887 -1.498 356 HG21 VAL 46 HG21 VAL 46 -9.087 2.464 -2.665 357 HG22 VAL 46 HG22 VAL 46 -7.868 2.170 -1.400 358 HG23 VAL 46 HG23 VAL 46 -7.413 2.914 -2.953 359 H GLY 47 HN GLY 47 -11.033 5.727 -3.179 360 HA2 GLY 47 HA2 GLY 47 -11.603 3.782 -5.180 361 HA3 GLY 47 HA1 GLY 47 -12.641 5.112 -4.740 362 H SER 48 HN SER 48 -10.501 7.101 -5.276 363 HA SER 48 HA SER 48 -11.102 7.518 -8.050 364 HB2 SER 48 HB2 SER 48 -9.328 9.105 -6.184 365 HB3 SER 48 HB1 SER 48 -9.934 9.648 -7.748 366 HG SER 48 HG SER 48 -11.608 8.889 -5.572 367 H VAL 49 HN VAL 49 -8.423 6.347 -6.201 368 HA VAL 49 HA VAL 49 -6.687 6.349 -8.562 369 HB VAL 49 HB VAL 49 -4.855 5.730 -6.936 370 HG11 VAL 49 HG11 VAL 49 -6.408 8.225 -6.306 371 HG12 VAL 49 HG12 VAL 49 -5.227 8.050 -7.610 372 HG13 VAL 49 HG13 VAL 49 -4.706 7.956 -5.920 373 HG21 VAL 49 HG21 VAL 49 -6.324 4.737 -5.213 374 HG22 VAL 49 HG22 VAL 49 -6.965 6.351 -4.894 375 HG23 VAL 49 HG23 VAL 49 -5.274 6.002 -4.552 376 H ASN 50 HN ASN 50 -8.972 4.542 -7.706 377 HA ASN 50 HA ASN 50 -7.642 1.990 -7.492 378 HB2 ASN 50 HB2 ASN 50 -10.203 2.978 -6.737 379 HB3 ASN 50 HB1 ASN 50 -10.467 1.686 -7.902 380 HD21 ASN 50 HD21 ASN 50 -7.834 1.966 -5.573 381 HD22 ASN 50 HD22 ASN 50 -8.289 0.536 -4.712 382 H GLY 51 HN GLY 51 -9.107 0.280 -8.902 383 HA2 GLY 51 HA2 GLY 51 -8.859 1.140 -11.681 384 HA3 GLY 51 HA1 GLY 51 -8.919 -0.531 -11.107 385 H GLY 52 HN GLY 52 -10.801 2.400 -11.457 386 HA2 GLY 52 HA2 GLY 52 -13.001 2.335 -12.402 387 HA3 GLY 52 HA1 GLY 52 -13.226 0.757 -11.648 388 H ASN 53 HN ASN 53 -13.596 0.619 -9.460 389 HA ASN 53 HA ASN 53 -14.070 3.060 -7.936 390 HB2 ASN 53 HB2 ASN 53 -16.095 0.850 -8.383 391 HB3 ASN 53 HB1 ASN 53 -16.192 1.981 -7.045 392 HD21 ASN 53 HD21 ASN 53 -17.980 1.442 -9.226 393 HD22 ASN 53 HD22 ASN 53 -18.264 2.932 -10.053 394 H ARG 54 HN ARG 54 -14.902 1.985 -5.594 395 HA ARG 54 HA ARG 54 -12.632 0.822 -4.461 396 HB2 ARG 54 HB2 ARG 54 -15.323 1.350 -3.620 397 HB3 ARG 54 HB1 ARG 54 -14.671 -0.094 -2.829 398 HG2 ARG 54 HG2 ARG 54 -14.258 1.700 -1.389 399 HG3 ARG 54 HG1 ARG 54 -12.731 1.398 -2.224 400 HD2 ARG 54 HD2 ARG 54 -13.276 3.808 -2.090 401 HD3 ARG 54 HD1 ARG 54 -13.150 3.179 -3.744 402 HE ARG 54 HE ARG 54 -15.799 2.998 -2.953 403 HH11 ARG 54 HH11 ARG 54 -13.600 5.719 -3.258 404 HH12 ARG 54 HH12 ARG 54 -14.624 6.668 -4.233 405 HH21 ARG 54 HH21 ARG 54 -17.267 4.284 -4.229 406 HH22 ARG 54 HH22 ARG 54 -16.826 5.846 -4.741 407 H THR 55 HN THR 55 -11.806 -1.012 -5.038 408 HA THR 55 HA THR 55 -13.309 -3.326 -4.431 409 HB THR 55 HB THR 55 -14.013 -3.085 -6.747 410 HG1 THR 55 HG1 THR 55 -12.918 -5.085 -7.616 411 HG21 THR 55 HG21 THR 55 -12.428 -3.186 -8.631 412 HG22 THR 55 HG22 THR 55 -11.081 -3.158 -7.496 413 HG23 THR 55 HG23 THR 55 -12.149 -1.762 -7.628 414 H VAL 56 HN VAL 56 -10.284 -1.806 -5.348 415 HA VAL 56 HA VAL 56 -8.890 -4.099 -4.227 416 HB VAL 56 HB VAL 56 -6.973 -3.440 -5.761 417 HG11 VAL 56 HG11 VAL 56 -7.920 -4.652 -7.715 418 HG12 VAL 56 HG12 VAL 56 -9.527 -4.494 -7.003 419 HG13 VAL 56 HG13 VAL 56 -8.288 -5.443 -6.187 420 HG21 VAL 56 HG21 VAL 56 -7.768 -1.245 -6.411 421 HG22 VAL 56 HG22 VAL 56 -9.172 -1.968 -7.195 422 HG23 VAL 56 HG23 VAL 56 -7.552 -2.271 -7.829 423 HA PRO 57 HA PRO 57 -6.947 -1.253 -1.430 424 HB2 PRO 57 HB2 PRO 57 -4.489 -2.492 -1.224 425 HB3 PRO 57 HB1 PRO 57 -5.921 -3.019 -0.340 426 HG2 PRO 57 HG2 PRO 57 -4.772 -4.087 -2.878 427 HG3 PRO 57 HG1 PRO 57 -5.450 -4.971 -1.492 428 HD2 PRO 57 HD2 PRO 57 -6.803 -4.597 -3.761 429 HD3 PRO 57 HD1 PRO 57 -7.622 -4.579 -2.181 430 H THR 58 HN THR 58 -5.390 0.391 -1.444 431 HA THR 58 HA THR 58 -3.668 0.559 -3.792 432 HB THR 58 HB THR 58 -5.234 2.895 -2.656 433 HG1 THR 58 HG1 THR 58 -5.981 0.904 -4.201 434 HG21 THR 58 HG21 THR 58 -4.514 4.081 -4.632 435 HG22 THR 58 HG22 THR 58 -3.717 2.654 -5.257 436 HG23 THR 58 HG23 THR 58 -3.080 3.461 -3.806 437 H VAL 59 HN VAL 59 -1.642 1.449 -3.296 438 HA VAL 59 HA VAL 59 -1.208 2.004 -0.455 439 HB VAL 59 HB VAL 59 1.196 1.542 -0.873 440 HG11 VAL 59 HG11 VAL 59 -0.709 -0.623 -1.644 441 HG12 VAL 59 HG12 VAL 59 -0.127 -0.200 -0.012 442 HG13 VAL 59 HG13 VAL 59 0.986 -0.879 -1.206 443 HG21 VAL 59 HG21 VAL 59 1.309 2.070 -3.228 444 HG22 VAL 59 HG22 VAL 59 0.254 0.703 -3.599 445 HG23 VAL 59 HG23 VAL 59 1.871 0.420 -2.944 446 H LYS 60 HN LYS 60 -0.588 3.905 0.150 447 HA LYS 60 HA LYS 60 0.383 5.806 -1.876 448 HB2 LYS 60 HB2 LYS 60 -1.712 6.404 -0.450 449 HB3 LYS 60 HB1 LYS 60 -0.600 6.428 0.892 450 HG2 LYS 60 HG2 LYS 60 0.724 8.185 -0.158 451 HG3 LYS 60 HG1 LYS 60 -0.377 8.203 -1.532 452 HD2 LYS 60 HD2 LYS 60 -0.934 10.014 -0.042 453 HD3 LYS 60 HD1 LYS 60 -2.217 8.804 0.015 454 HE2 LYS 60 HE2 LYS 60 -1.296 7.894 2.078 455 HE3 LYS 60 HE1 LYS 60 0.033 9.051 2.003 456 HZ1 LYS 60 HZ1 LYS 60 -1.553 10.826 2.260 457 HZ2 LYS 60 HZ2 LYS 60 -1.715 9.707 3.535 458 HZ3 LYS 60 HZ3 LYS 60 -2.834 9.723 2.281 459 H PHE 61 HN PHE 61 2.525 5.840 -1.796 460 HA PHE 61 HA PHE 61 3.949 4.890 0.533 461 HB2 PHE 61 HB2 PHE 61 4.980 6.095 -2.025 462 HB3 PHE 61 HB1 PHE 61 5.978 5.405 -0.756 463 HD1 PHE 61 HD1 PHE 61 3.545 4.697 -3.379 464 HD2 PHE 61 HD2 PHE 61 6.238 3.023 -0.540 465 HE1 PHE 61 HE1 PHE 61 3.356 2.546 -4.485 466 HE2 PHE 61 HE2 PHE 61 6.057 0.847 -1.655 467 HZ PHE 61 HZ PHE 61 4.611 0.606 -3.647 468 H ALA 62 HN ALA 62 5.720 6.122 1.480 469 HA ALA 62 HA ALA 62 4.840 8.593 2.478 470 HB1 ALA 62 HB1 ALA 62 6.989 8.743 3.581 471 HB2 ALA 62 HB2 ALA 62 7.636 7.482 2.534 472 HB3 ALA 62 HB3 ALA 62 6.364 7.096 3.693 473 H ASP 63 HN ASP 63 6.326 7.874 -0.464 474 HA ASP 63 HA ASP 63 7.514 10.490 -0.778 475 HB2 ASP 63 HB2 ASP 63 8.278 9.820 -2.903 476 HB3 ASP 63 HB1 ASP 63 8.417 8.367 -1.927 477 H GLY 64 HN GLY 64 4.454 9.177 -0.913 478 HA2 GLY 64 HA2 GLY 64 2.565 10.544 -1.087 479 HA3 GLY 64 HA1 GLY 64 3.466 11.627 -2.134 480 H SER 65 HN SER 65 4.110 8.609 -3.272 481 HA SER 65 HA SER 65 2.177 9.062 -5.378 482 HB2 SER 65 HB2 SER 65 4.627 8.699 -5.860 483 HB3 SER 65 HB1 SER 65 4.419 7.037 -5.316 484 HG SER 65 HG SER 65 3.407 8.366 -7.527 485 H THR 66 HN THR 66 0.671 7.540 -6.056 486 HA THR 66 HA THR 66 0.106 5.365 -4.185 487 HB THR 66 HB THR 66 -2.168 5.641 -5.509 488 HG1 THR 66 HG1 THR 66 -2.064 7.309 -6.713 489 HG21 THR 66 HG21 THR 66 -1.983 5.777 -3.113 490 HG22 THR 66 HG22 THR 66 -2.976 7.109 -3.705 491 HG23 THR 66 HG23 THR 66 -1.299 7.406 -3.225 492 H LEU 67 HN LEU 67 -0.175 3.352 -4.957 493 HA LEU 67 HA LEU 67 -0.449 2.931 -7.847 494 HB2 LEU 67 HB2 LEU 67 1.317 1.273 -6.013 495 HB3 LEU 67 HB1 LEU 67 0.856 0.795 -7.622 496 HG LEU 67 HG LEU 67 2.644 3.123 -6.891 497 HD11 LEU 67 HD11 LEU 67 4.386 1.788 -7.951 498 HD12 LEU 67 HD12 LEU 67 3.220 0.517 -8.283 499 HD13 LEU 67 HD13 LEU 67 3.664 0.872 -6.623 500 HD21 LEU 67 HD21 LEU 67 1.350 3.648 -8.907 501 HD22 LEU 67 HD22 LEU 67 1.791 2.087 -9.599 502 HD23 LEU 67 HD23 LEU 67 3.032 3.304 -9.318 503 H THR 68 HN THR 68 -2.033 1.603 -8.375 504 HA THR 68 HA THR 68 -3.873 0.664 -6.430 505 HB THR 68 HB THR 68 -3.630 -0.146 -9.338 506 HG1 THR 68 HG1 THR 68 -4.883 2.254 -8.322 507 HG21 THR 68 HG21 THR 68 -6.088 -0.224 -9.223 508 HG22 THR 68 HG22 THR 68 -6.020 0.279 -7.535 509 HG23 THR 68 HG23 THR 68 -5.362 -1.284 -8.016 510 H ASN 69 HN ASN 69 -4.125 -1.489 -5.694 511 HA ASN 69 HA ASN 69 -2.508 -2.945 -4.549 512 HB2 ASN 69 HB2 ASN 69 -4.718 -3.791 -4.947 513 HB3 ASN 69 HB1 ASN 69 -4.234 -4.427 -6.533 514 HD21 ASN 69 HD21 ASN 69 -4.613 -6.590 -6.026 515 HD22 ASN 69 HD22 ASN 69 -3.667 -7.437 -4.853 516 HA PRO 70 HA PRO 70 0.930 -4.064 -7.260 517 HB2 PRO 70 HB2 PRO 70 2.783 -2.941 -5.689 518 HB3 PRO 70 HB1 PRO 70 1.847 -2.004 -6.855 519 HG2 PRO 70 HG2 PRO 70 1.700 -1.978 -3.925 520 HG3 PRO 70 HG1 PRO 70 1.065 -0.807 -5.091 521 HD2 PRO 70 HD2 PRO 70 -0.328 -2.950 -3.688 522 HD3 PRO 70 HD1 PRO 70 -0.977 -1.646 -4.701 523 H SER 71 HN SER 71 2.424 -5.618 -7.043 524 HA SER 71 HA SER 71 2.062 -7.494 -4.958 525 HB2 SER 71 HB2 SER 71 2.606 -8.188 -7.237 526 HB3 SER 71 HB1 SER 71 4.129 -7.310 -7.167 527 HG SER 71 HG SER 71 4.938 -9.012 -6.435 528 H ALA 72 HN ALA 72 3.908 -8.339 -3.666 529 HA ALA 72 HA ALA 72 4.962 -6.374 -1.929 530 HB1 ALA 72 HB1 ALA 72 4.492 -8.660 -1.221 531 HB2 ALA 72 HB2 ALA 72 6.163 -8.215 -0.871 532 HB3 ALA 72 HB3 ALA 72 5.798 -9.258 -2.247 533 H ASP 73 HN ASP 73 6.422 -8.036 -4.645 534 HA ASP 73 HA ASP 73 9.016 -6.965 -4.133 535 HB2 ASP 73 HB2 ASP 73 9.632 -7.816 -6.356 536 HB3 ASP 73 HB1 ASP 73 8.759 -9.033 -5.438 537 H GLU 74 HN GLU 74 6.208 -5.831 -5.719 538 HA GLU 74 HA GLU 74 7.446 -3.782 -7.298 539 HB2 GLU 74 HB2 GLU 74 4.585 -4.235 -6.460 540 HB3 GLU 74 HB1 GLU 74 5.106 -2.989 -7.584 541 HG2 GLU 74 HG2 GLU 74 5.604 -5.918 -8.018 542 HG3 GLU 74 HG1 GLU 74 4.172 -5.078 -8.612 543 H VAL 75 HN VAL 75 5.624 -3.868 -4.253 544 HA VAL 75 HA VAL 75 5.874 -1.102 -3.780 545 HB VAL 75 HB VAL 75 5.411 -1.714 -1.286 546 HG11 VAL 75 HG11 VAL 75 3.678 -0.947 -2.843 547 HG12 VAL 75 HG12 VAL 75 3.075 -2.230 -1.788 548 HG13 VAL 75 HG13 VAL 75 3.543 -2.600 -3.454 549 HG21 VAL 75 HG21 VAL 75 4.814 -4.320 -2.602 550 HG22 VAL 75 HG22 VAL 75 4.532 -3.915 -0.908 551 HG23 VAL 75 HG23 VAL 75 6.192 -4.066 -1.529 552 H LYS 76 HN LYS 76 7.951 -3.781 -2.916 553 HA LYS 76 HA LYS 76 9.735 -2.375 -1.275 554 HB2 LYS 76 HB2 LYS 76 10.134 -4.759 -3.057 555 HB3 LYS 76 HB1 LYS 76 11.450 -4.087 -2.095 556 HG2 LYS 76 HG2 LYS 76 10.160 -4.552 -0.060 557 HG3 LYS 76 HG1 LYS 76 8.845 -5.192 -1.043 558 HD2 LYS 76 HD2 LYS 76 10.164 -7.027 -0.165 559 HD3 LYS 76 HD1 LYS 76 10.378 -6.937 -1.910 560 HE2 LYS 76 HE2 LYS 76 12.515 -7.354 -0.909 561 HE3 LYS 76 HE1 LYS 76 12.521 -5.704 -1.512 562 HZ1 LYS 76 HZ1 LYS 76 12.196 -6.574 1.308 563 HZ2 LYS 76 HZ2 LYS 76 12.021 -4.982 0.821 564 HZ3 LYS 76 HZ3 LYS 76 13.509 -5.750 0.657 565 H ALA 77 HN ALA 77 9.479 -2.526 -4.768 566 HA ALA 77 HA ALA 77 11.982 -1.489 -5.428 567 HB1 ALA 77 HB1 ALA 77 11.026 -0.960 -7.600 568 HB2 ALA 77 HB2 ALA 77 9.399 -1.153 -6.948 569 HB3 ALA 77 HB3 ALA 77 10.475 -2.544 -7.055 570 H LYS 78 HN LYS 78 8.989 0.194 -4.596 571 HA LYS 78 HA LYS 78 10.282 2.716 -5.062 572 HB2 LYS 78 HB2 LYS 78 7.597 2.173 -3.828 573 HB3 LYS 78 HB1 LYS 78 8.232 3.779 -4.128 574 HG2 LYS 78 HG2 LYS 78 8.380 3.167 -6.548 575 HG3 LYS 78 HG1 LYS 78 7.516 1.681 -6.151 576 HD2 LYS 78 HD2 LYS 78 5.731 2.975 -6.687 577 HD3 LYS 78 HD1 LYS 78 5.895 3.387 -4.979 578 HE2 LYS 78 HE2 LYS 78 6.984 4.996 -7.292 579 HE3 LYS 78 HE1 LYS 78 5.511 5.366 -6.411 580 HZ1 LYS 78 HZ1 LYS 78 7.414 6.713 -5.828 581 HZ2 LYS 78 HZ2 LYS 78 8.258 5.409 -5.232 582 HZ3 LYS 78 HZ3 LYS 78 6.836 5.952 -4.465 583 H LEU 79 HN LEU 79 9.231 0.820 -2.319 584 HA LEU 79 HA LEU 79 9.678 2.651 -0.261 585 HB2 LEU 79 HB2 LEU 79 8.286 0.659 -0.086 586 HB3 LEU 79 HB1 LEU 79 9.697 -0.358 -0.238 587 HG LEU 79 HG LEU 79 10.518 0.495 1.921 588 HD11 LEU 79 HD11 LEU 79 9.445 2.655 1.984 589 HD12 LEU 79 HD12 LEU 79 8.988 1.709 3.394 590 HD13 LEU 79 HD13 LEU 79 7.856 1.897 2.052 591 HD21 LEU 79 HD21 LEU 79 7.758 -0.694 1.952 592 HD22 LEU 79 HD22 LEU 79 8.885 -0.696 3.304 593 HD23 LEU 79 HD23 LEU 79 9.281 -1.574 1.826 594 H VAL 80 HN VAL 80 11.876 0.405 -1.837 595 HA VAL 80 HA VAL 80 13.935 0.451 0.060 596 HB VAL 80 HB VAL 80 13.672 -1.191 -1.829 597 HG11 VAL 80 HG11 VAL 80 13.213 0.212 -3.668 598 HG12 VAL 80 HG12 VAL 80 14.669 -0.719 -4.016 599 HG13 VAL 80 HG13 VAL 80 14.792 0.982 -3.553 600 HG21 VAL 80 HG21 VAL 80 15.699 -1.272 -0.594 601 HG22 VAL 80 HG22 VAL 80 16.368 0.085 -1.521 602 HG23 VAL 80 HG23 VAL 80 16.096 -1.465 -2.304 603 H LYS 81 HN LYS 81 13.081 2.673 -2.484 604 HA LYS 81 HA LYS 81 15.531 4.180 -2.389 605 HB2 LYS 81 HB2 LYS 81 12.848 5.036 -3.478 606 HB3 LYS 81 HB1 LYS 81 14.392 5.801 -3.791 607 HG2 LYS 81 HG2 LYS 81 15.118 3.788 -4.989 608 HG3 LYS 81 HG1 LYS 81 13.530 3.071 -4.699 609 HD2 LYS 81 HD2 LYS 81 12.546 5.149 -5.857 610 HD3 LYS 81 HD1 LYS 81 14.192 5.526 -6.274 611 HE2 LYS 81 HE2 LYS 81 13.007 2.874 -6.978 612 HE3 LYS 81 HE1 LYS 81 12.876 4.271 -8.042 613 HZ1 LYS 81 HZ1 LYS 81 15.227 4.373 -8.216 614 HZ2 LYS 81 HZ2 LYS 81 14.788 2.763 -8.504 615 HZ3 LYS 81 HZ3 LYS 81 15.464 3.199 -7.041 616 H ILE 82 HN ILE 82 12.236 4.535 -1.257 617 HA ILE 82 HA ILE 82 12.351 7.104 -0.175 618 HB ILE 82 HB ILE 82 10.649 4.785 0.728 619 HG12 ILE 82 HG12 ILE 82 10.078 6.902 -1.372 620 HG13 ILE 82 HG11 ILE 82 10.449 5.209 -1.676 621 HG21 ILE 82 HG21 ILE 82 10.606 6.622 2.344 622 HG22 ILE 82 HG22 ILE 82 9.061 6.487 1.506 623 HG23 ILE 82 HG23 ILE 82 10.196 7.762 1.058 624 HD11 ILE 82 HD11 ILE 82 8.392 4.552 -0.563 625 HD12 ILE 82 HD12 ILE 82 8.096 5.645 -1.914 626 HD13 ILE 82 HD13 ILE 82 8.021 6.252 -0.256 627 H ALA 83 HN ALA 83 13.062 3.984 1.331 628 HA ALA 83 HA ALA 83 13.478 5.015 3.944 629 HB1 ALA 83 HB1 ALA 83 14.508 2.852 4.429 630 HB2 ALA 83 HB2 ALA 83 14.529 2.471 2.707 631 HB3 ALA 83 HB3 ALA 83 12.992 2.664 3.552 632 H GLY 84 HN GLY 84 15.416 5.112 1.127 633 HA2 GLY 84 HA2 GLY 84 17.453 6.194 0.828 634 HA3 GLY 84 HA1 GLY 84 17.550 6.405 2.575 635 H LEU 85 HN LEU 85 16.912 3.348 1.179 636 HA LEU 85 HA LEU 85 19.475 2.394 2.193 637 HB2 LEU 85 HB2 LEU 85 16.960 0.921 1.449 638 HB3 LEU 85 HB1 LEU 85 18.441 0.123 1.978 639 HG LEU 85 HG LEU 85 16.711 1.990 3.612 640 HD11 LEU 85 HD11 LEU 85 15.630 -0.148 3.174 641 HD12 LEU 85 HD12 LEU 85 16.121 -0.018 4.863 642 HD13 LEU 85 HD13 LEU 85 17.066 -1.000 3.744 643 HD21 LEU 85 HD21 LEU 85 19.053 2.106 4.280 644 HD22 LEU 85 HD22 LEU 85 19.123 0.348 4.386 645 HD23 LEU 85 HD23 LEU 85 18.102 1.259 5.499 646 H GLU 86 HN GLU 86 17.477 2.493 -0.731 647 HA GLU 86 HA GLU 86 19.349 1.034 -2.300 648 HB2 GLU 86 HB2 GLU 86 16.969 1.239 -3.016 649 HB3 GLU 86 HB1 GLU 86 17.208 2.964 -3.254 650 HG2 GLU 86 HG2 GLU 86 18.956 2.436 -4.942 651 HG3 GLU 86 HG1 GLU 86 18.555 0.732 -4.762 652 H HIS 87 HN HIS 87 21.244 1.708 -2.623 653 HA HIS 87 HA HIS 87 21.672 4.496 -3.462 654 HB2 HIS 87 HB2 HIS 87 23.709 2.550 -2.290 655 HB3 HIS 87 HB1 HIS 87 24.053 4.194 -2.800 656 HD1 HIS 87 HD1 HIS 87 23.531 2.377 0.211 657 HD2 HIS 87 HD2 HIS 87 22.223 6.056 -1.214 658 HE1 HIS 87 HE1 HIS 87 22.839 3.699 2.224 659 H HIS 88 HN HIS 88 23.047 1.273 -3.764 660 HA HIS 88 HA HIS 88 22.447 0.716 -6.363 661 HB2 HIS 88 HB2 HIS 88 24.028 2.597 -6.942 662 HB3 HIS 88 HB1 HIS 88 25.306 1.743 -6.096 663 HD1 HIS 88 HD1 HIS 88 23.178 1.506 -9.219 664 HD2 HIS 88 HD2 HIS 88 26.539 -0.263 -7.526 665 HE1 HIS 88 HE1 HIS 88 24.209 0.077 -11.027 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 9.792 12.726 4.246 2 H2 MET 1 HT2 MET 1 11.241 11.876 4.166 3 H3 MET 1 HT3 MET 1 11.253 13.506 4.592 4 HA MET 1 HA MET 1 11.565 12.116 6.525 5 HB2 MET 1 HB2 MET 1 10.117 14.277 6.542 6 HB3 MET 1 HB1 MET 1 8.738 13.199 6.564 7 HG2 MET 1 HG2 MET 1 10.900 13.278 8.661 8 HG3 MET 1 HG1 MET 1 9.352 14.100 8.786 9 HE1 MET 1 HE1 MET 1 9.042 11.249 11.428 10 HE2 MET 1 HE2 MET 1 8.893 12.980 11.128 11 HE3 MET 1 HE3 MET 1 10.476 12.206 11.049 12 H VAL 2 HN VAL 2 11.494 9.935 6.758 13 HA VAL 2 HA VAL 2 9.158 8.621 5.752 14 HB VAL 2 HB VAL 2 11.272 7.617 5.099 15 HG11 VAL 2 HG11 VAL 2 12.730 6.425 6.675 16 HG12 VAL 2 HG12 VAL 2 11.821 7.144 8.010 17 HG13 VAL 2 HG13 VAL 2 12.716 8.173 6.890 18 HG21 VAL 2 HG21 VAL 2 9.398 6.108 5.239 19 HG22 VAL 2 HG22 VAL 2 9.711 5.818 6.947 20 HG23 VAL 2 HG23 VAL 2 10.864 5.259 5.733 21 H THR 3 HN THR 3 7.789 9.507 7.166 22 HA THR 3 HA THR 3 7.785 8.668 9.932 23 HB THR 3 HB THR 3 6.962 10.908 9.418 24 HG1 THR 3 HG1 THR 3 5.807 9.360 10.972 25 HG21 THR 3 HG21 THR 3 6.167 10.572 7.136 26 HG22 THR 3 HG22 THR 3 4.890 11.287 8.118 27 HG23 THR 3 HG23 THR 3 4.838 9.569 7.722 28 H ALA 4 HN ALA 4 6.634 7.592 6.936 29 HA ALA 4 HA ALA 4 5.462 5.257 8.138 30 HB1 ALA 4 HB1 ALA 4 4.081 6.965 6.050 31 HB2 ALA 4 HB2 ALA 4 3.529 6.729 7.706 32 HB3 ALA 4 HB3 ALA 4 3.541 5.371 6.578 33 H ALA 5 HN ALA 5 5.773 3.517 6.705 34 HA ALA 5 HA ALA 5 7.741 3.996 4.653 35 HB1 ALA 5 HB1 ALA 5 6.293 1.462 5.492 36 HB2 ALA 5 HB2 ALA 5 7.908 1.955 6.001 37 HB3 ALA 5 HB3 ALA 5 7.600 1.529 4.320 38 H LEU 6 HN LEU 6 4.623 2.336 4.700 39 HA LEU 6 HA LEU 6 3.604 3.934 2.685 40 HB2 LEU 6 HB2 LEU 6 3.156 2.151 0.985 41 HB3 LEU 6 HB1 LEU 6 4.825 2.608 1.123 42 HG LEU 6 HG LEU 6 4.778 0.312 0.661 43 HD11 LEU 6 HD11 LEU 6 5.779 -0.846 2.502 44 HD12 LEU 6 HD12 LEU 6 5.321 0.475 3.573 45 HD13 LEU 6 HD13 LEU 6 6.442 0.769 2.245 46 HD21 LEU 6 HD21 LEU 6 3.553 -1.354 1.967 47 HD22 LEU 6 HD22 LEU 6 2.561 -0.186 1.082 48 HD23 LEU 6 HD23 LEU 6 2.764 -0.007 2.828 49 H THR 7 HN THR 7 1.466 4.001 2.636 50 HA THR 7 HA THR 7 0.234 2.539 4.832 51 HB THR 7 HB THR 7 -0.631 5.149 3.567 52 HG1 THR 7 HG1 THR 7 1.072 4.500 5.731 53 HG21 THR 7 HG21 THR 7 -2.396 3.935 4.809 54 HG22 THR 7 HG22 THR 7 -1.911 5.405 5.655 55 HG23 THR 7 HG23 THR 7 -1.329 3.837 6.211 56 H ILE 8 HN ILE 8 -1.237 1.145 4.368 57 HA ILE 8 HA ILE 8 -2.254 0.813 1.670 58 HB ILE 8 HB ILE 8 -2.265 -0.921 4.133 59 HG12 ILE 8 HG12 ILE 8 -0.899 -1.275 1.462 60 HG13 ILE 8 HG11 ILE 8 -0.116 -0.727 2.939 61 HG21 ILE 8 HG21 ILE 8 -3.527 -1.524 1.477 62 HG22 ILE 8 HG22 ILE 8 -4.301 -1.335 3.064 63 HG23 ILE 8 HG23 ILE 8 -3.230 -2.706 2.767 64 HD11 ILE 8 HD11 ILE 8 -1.384 -3.422 2.505 65 HD12 ILE 8 HD12 ILE 8 -0.592 -2.877 3.984 66 HD13 ILE 8 HD13 ILE 8 0.342 -3.061 2.498 67 H TYR 9 HN TYR 9 -4.260 1.329 1.113 68 HA TYR 9 HA TYR 9 -6.273 1.858 3.185 69 HB2 TYR 9 HB2 TYR 9 -6.141 2.696 0.281 70 HB3 TYR 9 HB1 TYR 9 -7.505 3.002 1.339 71 HD1 TYR 9 HD1 TYR 9 -6.866 4.291 3.564 72 HD2 TYR 9 HD2 TYR 9 -4.594 4.362 -0.017 73 HE1 TYR 9 HE1 TYR 9 -5.872 6.422 4.248 74 HE2 TYR 9 HE2 TYR 9 -3.594 6.502 0.676 75 HH TYR 9 HH TYR 9 -3.984 7.773 3.833 76 H THR 10 HN THR 10 -7.690 0.265 3.519 77 HA THR 10 HA THR 10 -8.953 -1.020 1.332 78 HB THR 10 HB THR 10 -6.819 -2.324 1.456 79 HG1 THR 10 HG1 THR 10 -9.032 -3.886 2.352 80 HG21 THR 10 HG21 THR 10 -6.395 -3.803 3.385 81 HG22 THR 10 HG22 THR 10 -7.765 -3.079 4.231 82 HG23 THR 10 HG23 THR 10 -6.349 -2.100 3.845 83 H THR 11 HN THR 11 -10.708 -2.408 2.105 84 HA THR 11 HA THR 11 -11.356 -2.069 4.930 85 HB THR 11 HB THR 11 -13.658 -2.805 3.518 86 HG1 THR 11 HG1 THR 11 -13.576 -1.821 1.661 87 HG21 THR 11 HG21 THR 11 -14.446 -0.568 4.151 88 HG22 THR 11 HG22 THR 11 -12.788 -0.084 4.508 89 HG23 THR 11 HG23 THR 11 -13.570 -1.336 5.473 90 H SER 12 HN SER 12 -13.038 -3.992 5.496 91 HA SER 12 HA SER 12 -11.493 -6.365 5.152 92 HB2 SER 12 HB2 SER 12 -12.577 -5.837 7.310 93 HB3 SER 12 HB1 SER 12 -14.155 -5.946 6.550 94 HG SER 12 HG SER 12 -13.088 -8.200 5.940 95 H TRP 13 HN TRP 13 -14.224 -4.981 3.579 96 HA TRP 13 HA TRP 13 -15.176 -7.477 2.556 97 HB2 TRP 13 HB2 TRP 13 -16.680 -6.111 1.104 98 HB3 TRP 13 HB1 TRP 13 -16.809 -5.717 2.809 99 HD1 TRP 13 HD1 TRP 13 -16.234 -3.251 3.522 100 HE1 TRP 13 HE1 TRP 13 -15.709 -1.101 2.213 101 HE3 TRP 13 HE3 TRP 13 -15.525 -5.270 -1.112 102 HZ2 TRP 13 HZ2 TRP 13 -15.109 -0.354 -0.427 103 HZ3 TRP 13 HZ3 TRP 13 -15.005 -3.781 -2.968 104 HH2 TRP 13 HH2 TRP 13 -14.788 -1.363 -2.638 105 H CYS 14 HN CYS 14 -12.600 -5.471 1.722 106 HA CYS 14 HA CYS 14 -12.546 -6.018 -1.079 107 HB2 CYS 14 HB2 CYS 14 -10.344 -5.096 0.773 108 HB3 CYS 14 HB1 CYS 14 -10.306 -5.036 -0.984 109 HG CYS 14 HG CYS 14 -11.948 -3.005 -1.324 110 H GLY 15 HN GLY 15 -12.264 -8.073 -1.755 111 HA2 GLY 15 HA2 GLY 15 -11.311 -10.206 -0.196 112 HA3 GLY 15 HA1 GLY 15 -11.490 -10.225 -1.937 113 H TYR 16 HN TYR 16 -9.560 -7.950 -2.051 114 HA TYR 16 HA TYR 16 -7.203 -9.585 -2.267 115 HB2 TYR 16 HB2 TYR 16 -7.764 -6.757 -2.970 116 HB3 TYR 16 HB1 TYR 16 -6.157 -7.460 -3.151 117 HD1 TYR 16 HD1 TYR 16 -5.975 -9.505 -4.668 118 HD2 TYR 16 HD2 TYR 16 -9.354 -6.928 -4.640 119 HE1 TYR 16 HE1 TYR 16 -6.596 -10.300 -6.913 120 HE2 TYR 16 HE2 TYR 16 -9.990 -7.721 -6.868 121 HH TYR 16 HH TYR 16 -8.603 -10.446 -8.309 122 H CYS 17 HN CYS 17 -8.457 -7.856 0.318 123 HA CYS 17 HA CYS 17 -6.293 -6.372 1.217 124 HB2 CYS 17 HB2 CYS 17 -7.307 -6.542 3.489 125 HB3 CYS 17 HB1 CYS 17 -8.452 -6.058 2.247 126 HG CYS 17 HG CYS 17 -9.934 -8.234 2.238 127 H LEU 18 HN LEU 18 -7.151 -9.654 2.331 128 HA LEU 18 HA LEU 18 -4.683 -9.959 3.701 129 HB2 LEU 18 HB2 LEU 18 -5.300 -12.224 4.178 130 HB3 LEU 18 HB1 LEU 18 -6.725 -11.234 4.334 131 HG LEU 18 HG LEU 18 -6.117 -13.038 1.984 132 HD11 LEU 18 HD11 LEU 18 -7.964 -13.436 4.322 133 HD12 LEU 18 HD12 LEU 18 -6.478 -14.326 3.988 134 HD13 LEU 18 HD13 LEU 18 -7.865 -14.482 2.906 135 HD21 LEU 18 HD21 LEU 18 -7.568 -11.211 1.340 136 HD22 LEU 18 HD22 LEU 18 -8.628 -11.525 2.716 137 HD23 LEU 18 HD23 LEU 18 -8.495 -12.712 1.412 138 H ARG 19 HN ARG 19 -5.663 -10.519 0.469 139 HA ARG 19 HA ARG 19 -3.713 -12.312 -0.381 140 HB2 ARG 19 HB2 ARG 19 -5.592 -11.723 -1.811 141 HB3 ARG 19 HB1 ARG 19 -5.023 -10.067 -1.914 142 HG2 ARG 19 HG2 ARG 19 -4.502 -11.175 -3.967 143 HG3 ARG 19 HG1 ARG 19 -2.997 -10.875 -3.104 144 HD2 ARG 19 HD2 ARG 19 -4.482 -13.501 -3.121 145 HD3 ARG 19 HD1 ARG 19 -3.135 -13.125 -4.191 146 HE ARG 19 HE ARG 19 -2.066 -12.740 -1.765 147 HH11 ARG 19 HH11 ARG 19 -3.936 -15.439 -3.095 148 HH12 ARG 19 HH12 ARG 19 -3.206 -16.634 -2.135 149 HH21 ARG 19 HH21 ARG 19 -1.086 -14.389 -0.382 150 HH22 ARG 19 HH22 ARG 19 -1.542 -16.024 -0.555 151 H LEU 20 HN LEU 20 -3.712 -8.777 -0.370 152 HA LEU 20 HA LEU 20 -1.078 -8.525 -1.317 153 HB2 LEU 20 HB2 LEU 20 -2.633 -6.717 -1.583 154 HB3 LEU 20 HB1 LEU 20 -2.895 -6.619 0.143 155 HG LEU 20 HG LEU 20 -0.642 -5.823 0.456 156 HD11 LEU 20 HD11 LEU 20 0.731 -5.094 -1.480 157 HD12 LEU 20 HD12 LEU 20 -0.433 -5.853 -2.565 158 HD13 LEU 20 HD13 LEU 20 0.503 -6.839 -1.441 159 HD21 LEU 20 HD21 LEU 20 -0.935 -3.589 -0.499 160 HD22 LEU 20 HD22 LEU 20 -2.444 -4.215 0.166 161 HD23 LEU 20 HD23 LEU 20 -2.170 -4.220 -1.580 162 H LYS 21 HN LYS 21 -2.447 -8.651 1.935 163 HA LYS 21 HA LYS 21 -0.241 -7.828 3.444 164 HB2 LYS 21 HB2 LYS 21 -2.220 -9.963 4.254 165 HB3 LYS 21 HB1 LYS 21 -1.171 -9.065 5.332 166 HG2 LYS 21 HG2 LYS 21 -3.435 -7.944 3.703 167 HG3 LYS 21 HG1 LYS 21 -3.463 -8.256 5.434 168 HD2 LYS 21 HD2 LYS 21 -1.684 -6.571 5.720 169 HD3 LYS 21 HD1 LYS 21 -1.721 -6.265 3.982 170 HE2 LYS 21 HE2 LYS 21 -3.054 -4.588 5.087 171 HE3 LYS 21 HE1 LYS 21 -4.122 -5.666 4.183 172 HZ1 LYS 21 HZ1 LYS 21 -5.107 -5.312 6.302 173 HZ2 LYS 21 HZ2 LYS 21 -3.671 -5.476 7.079 174 HZ3 LYS 21 HZ3 LYS 21 -4.420 -6.858 6.445 175 H THR 22 HN THR 22 -1.075 -11.096 2.350 176 HA THR 22 HA THR 22 0.926 -12.479 3.674 177 HB THR 22 HB THR 22 0.692 -14.252 1.912 178 HG1 THR 22 HG1 THR 22 -0.702 -12.178 0.602 179 HG21 THR 22 HG21 THR 22 -1.647 -14.770 2.420 180 HG22 THR 22 HG22 THR 22 -1.896 -13.117 2.981 181 HG23 THR 22 HG23 THR 22 -0.808 -14.190 3.859 182 H ALA 23 HN ALA 23 1.148 -10.818 0.584 183 HA ALA 23 HA ALA 23 3.681 -11.888 -0.122 184 HB1 ALA 23 HB1 ALA 23 2.134 -10.982 -1.791 185 HB2 ALA 23 HB2 ALA 23 3.696 -10.172 -1.864 186 HB3 ALA 23 HB3 ALA 23 2.321 -9.374 -1.097 187 H LEU 24 HN LEU 24 2.597 -9.046 1.615 188 HA LEU 24 HA LEU 24 5.198 -7.847 1.735 189 HB2 LEU 24 HB2 LEU 24 2.814 -7.309 3.491 190 HB3 LEU 24 HB1 LEU 24 4.230 -6.306 3.359 191 HG LEU 24 HG LEU 24 2.084 -6.724 1.294 192 HD11 LEU 24 HD11 LEU 24 1.809 -4.265 1.618 193 HD12 LEU 24 HD12 LEU 24 2.999 -4.361 2.901 194 HD13 LEU 24 HD13 LEU 24 1.470 -5.211 3.074 195 HD21 LEU 24 HD21 LEU 24 4.644 -5.137 1.050 196 HD22 LEU 24 HD22 LEU 24 3.251 -4.991 -0.003 197 HD23 LEU 24 HD23 LEU 24 4.136 -6.497 0.028 198 H THR 25 HN THR 25 3.288 -9.793 3.957 199 HA THR 25 HA THR 25 5.134 -9.722 6.050 200 HB THR 25 HB THR 25 3.094 -11.858 5.351 201 HG1 THR 25 HG1 THR 25 1.669 -10.543 6.188 202 HG21 THR 25 HG21 THR 25 4.379 -11.169 8.016 203 HG22 THR 25 HG22 THR 25 4.729 -12.609 7.062 204 HG23 THR 25 HG23 THR 25 3.122 -12.380 7.760 205 H ALA 26 HN ALA 26 4.949 -11.724 3.163 206 HA ALA 26 HA ALA 26 6.833 -13.694 3.864 207 HB1 ALA 26 HB1 ALA 26 5.296 -13.905 1.963 208 HB2 ALA 26 HB2 ALA 26 6.971 -14.153 1.468 209 HB3 ALA 26 HB3 ALA 26 6.169 -12.621 1.123 210 H ASN 27 HN ASN 27 7.214 -10.437 2.763 211 HA ASN 27 HA ASN 27 10.132 -10.787 2.485 212 HB2 ASN 27 HB2 ASN 27 8.232 -8.738 1.400 213 HB3 ASN 27 HB1 ASN 27 9.957 -8.413 1.497 214 HD21 ASN 27 HD21 ASN 27 7.470 -10.331 -0.033 215 HD22 ASN 27 HD22 ASN 27 8.470 -10.873 -1.336 216 H ARG 28 HN ARG 28 8.066 -10.149 4.782 217 HA ARG 28 HA ARG 28 7.756 -8.788 6.512 218 HB2 ARG 28 HB2 ARG 28 10.736 -9.128 6.641 219 HB3 ARG 28 HB1 ARG 28 9.820 -8.321 7.902 220 HG2 ARG 28 HG2 ARG 28 8.444 -10.437 8.059 221 HG3 ARG 28 HG1 ARG 28 9.680 -11.191 7.045 222 HD2 ARG 28 HD2 ARG 28 10.147 -11.594 9.388 223 HD3 ARG 28 HD1 ARG 28 11.382 -10.547 8.678 224 HE ARG 28 HE ARG 28 9.609 -8.791 9.710 225 HH11 ARG 28 HH11 ARG 28 11.375 -11.514 11.146 226 HH12 ARG 28 HH12 ARG 28 11.336 -10.847 12.716 227 HH21 ARG 28 HH21 ARG 28 9.626 -7.893 11.850 228 HH22 ARG 28 HH22 ARG 28 10.343 -8.760 13.123 229 H ILE 29 HN ILE 29 7.173 -7.315 4.754 230 HA ILE 29 HA ILE 29 8.812 -4.937 4.686 231 HB ILE 29 HB ILE 29 6.148 -5.523 3.352 232 HG12 ILE 29 HG12 ILE 29 8.919 -5.449 2.140 233 HG13 ILE 29 HG11 ILE 29 8.127 -6.935 2.657 234 HG21 ILE 29 HG21 ILE 29 6.626 -3.520 2.000 235 HG22 ILE 29 HG22 ILE 29 8.127 -3.274 2.897 236 HG23 ILE 29 HG23 ILE 29 6.585 -3.103 3.722 237 HD11 ILE 29 HD11 ILE 29 6.366 -6.464 0.997 238 HD12 ILE 29 HD12 ILE 29 7.978 -6.676 0.330 239 HD13 ILE 29 HD13 ILE 29 7.295 -5.048 0.472 240 H ALA 30 HN ALA 30 8.474 -3.311 5.971 241 HA ALA 30 HA ALA 30 6.431 -3.392 7.962 242 HB1 ALA 30 HB1 ALA 30 8.448 -1.293 7.247 243 HB2 ALA 30 HB2 ALA 30 8.639 -2.550 8.480 244 HB3 ALA 30 HB3 ALA 30 7.426 -1.276 8.687 245 H TYR 31 HN TYR 31 4.453 -2.946 7.329 246 HA TYR 31 HA TYR 31 4.072 -0.638 5.573 247 HB2 TYR 31 HB2 TYR 31 1.905 -1.703 4.919 248 HB3 TYR 31 HB1 TYR 31 3.327 -2.608 4.386 249 HD1 TYR 31 HD1 TYR 31 3.828 -4.744 5.478 250 HD2 TYR 31 HD2 TYR 31 0.342 -2.555 6.444 251 HE1 TYR 31 HE1 TYR 31 2.858 -6.774 6.506 252 HE2 TYR 31 HE2 TYR 31 -0.650 -4.546 7.479 253 HH TYR 31 HH TYR 31 1.200 -7.385 8.122 254 H ASP 32 HN ASP 32 1.776 0.229 5.881 255 HA ASP 32 HA ASP 32 0.849 0.002 8.625 256 HB2 ASP 32 HB2 ASP 32 2.307 2.037 8.465 257 HB3 ASP 32 HB1 ASP 32 1.280 2.636 7.167 258 H GLU 33 HN GLU 33 -1.399 0.142 8.673 259 HA GLU 33 HA GLU 33 -2.697 0.536 6.080 260 HB2 GLU 33 HB2 GLU 33 -4.147 -1.426 6.589 261 HB3 GLU 33 HB1 GLU 33 -2.466 -1.841 6.319 262 HG2 GLU 33 HG2 GLU 33 -2.124 -2.057 8.721 263 HG3 GLU 33 HG1 GLU 33 -3.808 -1.616 9.003 264 H VAL 34 HN VAL 34 -4.663 1.513 6.195 265 HA VAL 34 HA VAL 34 -5.780 1.955 8.819 266 HB VAL 34 HB VAL 34 -4.346 3.940 8.345 267 HG11 VAL 34 HG11 VAL 34 -4.925 5.543 6.626 268 HG12 VAL 34 HG12 VAL 34 -6.132 4.429 5.995 269 HG13 VAL 34 HG13 VAL 34 -4.413 3.997 5.950 270 HG21 VAL 34 HG21 VAL 34 -6.009 5.680 8.777 271 HG22 VAL 34 HG22 VAL 34 -6.300 4.231 9.739 272 HG23 VAL 34 HG23 VAL 34 -7.287 4.557 8.315 273 H ASP 35 HN ASP 35 -7.999 2.199 8.812 274 HA ASP 35 HA ASP 35 -9.268 0.906 6.606 275 HB2 ASP 35 HB2 ASP 35 -10.096 0.319 8.722 276 HB3 ASP 35 HB1 ASP 35 -10.202 1.999 9.237 277 H ILE 36 HN ILE 36 -10.602 1.689 5.163 278 HA ILE 36 HA ILE 36 -10.564 4.526 4.677 279 HB ILE 36 HB ILE 36 -11.494 4.036 2.482 280 HG12 ILE 36 HG12 ILE 36 -11.470 1.133 3.352 281 HG13 ILE 36 HG11 ILE 36 -12.931 2.102 3.158 282 HG21 ILE 36 HG21 ILE 36 -9.196 2.342 3.413 283 HG22 ILE 36 HG22 ILE 36 -9.123 3.945 2.665 284 HG23 ILE 36 HG23 ILE 36 -9.625 2.530 1.729 285 HD11 ILE 36 HD11 ILE 36 -10.974 1.395 0.977 286 HD12 ILE 36 HD12 ILE 36 -12.455 2.335 0.774 287 HD13 ILE 36 HD13 ILE 36 -12.541 0.638 1.253 288 H GLU 37 HN GLU 37 -12.783 2.302 6.032 289 HA GLU 37 HA GLU 37 -15.133 3.510 4.967 290 HB2 GLU 37 HB2 GLU 37 -14.952 1.129 5.514 291 HB3 GLU 37 HB1 GLU 37 -14.777 1.547 7.206 292 HG2 GLU 37 HG2 GLU 37 -17.013 2.368 7.297 293 HG3 GLU 37 HG1 GLU 37 -17.199 2.171 5.551 294 H HIS 38 HN HIS 38 -13.431 3.657 8.033 295 HA HIS 38 HA HIS 38 -15.380 5.536 9.045 296 HB2 HIS 38 HB2 HIS 38 -12.882 4.377 10.277 297 HB3 HIS 38 HB1 HIS 38 -13.906 5.551 11.092 298 HD1 HIS 38 HD1 HIS 38 -15.783 4.553 12.477 299 HD2 HIS 38 HD2 HIS 38 -14.376 1.934 9.580 300 HE1 HIS 38 HE1 HIS 38 -16.973 2.400 12.847 301 H ASN 39 HN ASN 39 -13.078 5.888 6.895 302 HA ASN 39 HA ASN 39 -12.386 8.614 7.751 303 HB2 ASN 39 HB2 ASN 39 -10.560 6.560 6.490 304 HB3 ASN 39 HB1 ASN 39 -10.177 8.275 6.558 305 HD21 ASN 39 HD21 ASN 39 -8.978 5.808 7.756 306 HD22 ASN 39 HD22 ASN 39 -8.803 6.178 9.428 307 H ARG 40 HN ARG 40 -13.942 9.552 6.454 308 HA ARG 40 HA ARG 40 -14.785 8.909 3.932 309 HB2 ARG 40 HB2 ARG 40 -15.911 10.690 5.073 310 HB3 ARG 40 HB1 ARG 40 -14.449 11.676 5.089 311 HG2 ARG 40 HG2 ARG 40 -14.505 11.654 2.586 312 HG3 ARG 40 HG1 ARG 40 -16.090 10.907 2.691 313 HD2 ARG 40 HD2 ARG 40 -17.029 12.823 3.652 314 HD3 ARG 40 HD1 ARG 40 -15.441 13.520 4.017 315 HE ARG 40 HE ARG 40 -15.637 13.062 1.258 316 HH11 ARG 40 HH11 ARG 40 -17.088 15.232 3.627 317 HH12 ARG 40 HH12 ARG 40 -17.144 16.554 2.568 318 HH21 ARG 40 HH21 ARG 40 -15.699 14.785 -0.152 319 HH22 ARG 40 HH22 ARG 40 -16.331 16.305 0.312 320 H ALA 41 HN ALA 41 -12.130 11.169 4.613 321 HA ALA 41 HA ALA 41 -11.604 11.835 1.932 322 HB1 ALA 41 HB1 ALA 41 -9.694 11.926 4.268 323 HB2 ALA 41 HB2 ALA 41 -10.834 13.196 3.831 324 HB3 ALA 41 HB3 ALA 41 -9.516 12.786 2.740 325 H ALA 42 HN ALA 42 -10.415 9.261 3.943 326 HA ALA 42 HA ALA 42 -8.374 8.482 2.136 327 HB1 ALA 42 HB1 ALA 42 -8.187 6.464 3.391 328 HB2 ALA 42 HB2 ALA 42 -9.715 6.769 4.232 329 HB3 ALA 42 HB3 ALA 42 -8.316 7.819 4.512 330 H ALA 43 HN ALA 43 -11.678 7.335 2.721 331 HA ALA 43 HA ALA 43 -11.659 5.315 0.719 332 HB1 ALA 43 HB1 ALA 43 -14.074 5.280 0.967 333 HB2 ALA 43 HB2 ALA 43 -14.020 6.813 1.834 334 HB3 ALA 43 HB3 ALA 43 -13.301 5.367 2.550 335 H GLU 44 HN GLU 44 -12.538 8.677 0.709 336 HA GLU 44 HA GLU 44 -13.634 8.824 -1.876 337 HB2 GLU 44 HB2 GLU 44 -13.939 10.505 -0.060 338 HB3 GLU 44 HB1 GLU 44 -12.250 10.940 -0.204 339 HG2 GLU 44 HG2 GLU 44 -12.592 11.855 -2.346 340 HG3 GLU 44 HG1 GLU 44 -14.259 11.258 -2.419 341 H PHE 45 HN PHE 45 -10.402 9.110 -0.588 342 HA PHE 45 HA PHE 45 -9.076 9.847 -2.967 343 HB2 PHE 45 HB2 PHE 45 -8.169 10.299 -0.764 344 HB3 PHE 45 HB1 PHE 45 -8.122 8.586 -0.400 345 HD1 PHE 45 HD1 PHE 45 -6.756 11.102 -2.757 346 HD2 PHE 45 HD2 PHE 45 -6.158 7.412 -0.709 347 HE1 PHE 45 HE1 PHE 45 -4.424 11.055 -3.532 348 HE2 PHE 45 HE2 PHE 45 -3.824 7.374 -1.484 349 HZ PHE 45 HZ PHE 45 -2.961 9.190 -2.892 350 H VAL 46 HN VAL 46 -9.090 6.752 -1.191 351 HA VAL 46 HA VAL 46 -7.696 5.316 -3.140 352 HB VAL 46 HB VAL 46 -7.704 4.451 -0.889 353 HG11 VAL 46 HG11 VAL 46 -10.643 4.119 -1.246 354 HG12 VAL 46 HG12 VAL 46 -9.767 5.187 -0.103 355 HG13 VAL 46 HG13 VAL 46 -9.663 3.423 0.047 356 HG21 VAL 46 HG21 VAL 46 -8.103 2.174 -1.190 357 HG22 VAL 46 HG22 VAL 46 -7.697 2.818 -2.814 358 HG23 VAL 46 HG23 VAL 46 -9.373 2.506 -2.361 359 H GLY 47 HN GLY 47 -11.154 5.807 -2.831 360 HA2 GLY 47 HA2 GLY 47 -11.904 3.829 -4.722 361 HA3 GLY 47 HA1 GLY 47 -12.893 5.181 -4.205 362 H SER 48 HN SER 48 -10.726 7.078 -5.064 363 HA SER 48 HA SER 48 -11.642 7.324 -7.774 364 HB2 SER 48 HB2 SER 48 -9.769 9.034 -6.134 365 HB3 SER 48 HB1 SER 48 -10.465 9.488 -7.689 366 HG SER 48 HG SER 48 -11.602 9.395 -5.168 367 H VAL 49 HN VAL 49 -8.776 6.321 -6.092 368 HA VAL 49 HA VAL 49 -7.179 6.312 -8.550 369 HB VAL 49 HB VAL 49 -5.240 5.857 -7.074 370 HG11 VAL 49 HG11 VAL 49 -5.218 7.984 -5.895 371 HG12 VAL 49 HG12 VAL 49 -6.960 8.128 -6.151 372 HG13 VAL 49 HG13 VAL 49 -5.860 8.158 -7.536 373 HG21 VAL 49 HG21 VAL 49 -5.476 5.871 -4.662 374 HG22 VAL 49 HG22 VAL 49 -6.512 4.593 -5.341 375 HG23 VAL 49 HG23 VAL 49 -7.206 6.130 -4.836 376 H ASN 50 HN ASN 50 -9.341 4.366 -7.556 377 HA ASN 50 HA ASN 50 -7.932 1.866 -7.278 378 HB2 ASN 50 HB2 ASN 50 -10.592 2.791 -6.790 379 HB3 ASN 50 HB1 ASN 50 -10.687 1.441 -7.916 380 HD21 ASN 50 HD21 ASN 50 -8.318 1.944 -5.394 381 HD22 ASN 50 HD22 ASN 50 -8.758 0.530 -4.503 382 H GLY 51 HN GLY 51 -8.783 -0.004 -8.715 383 HA2 GLY 51 HA2 GLY 51 -8.307 0.761 -11.480 384 HA3 GLY 51 HA1 GLY 51 -8.344 -0.882 -10.838 385 H GLY 52 HN GLY 52 -10.484 1.891 -11.176 386 HA2 GLY 52 HA2 GLY 52 -12.491 1.639 -12.558 387 HA3 GLY 52 HA1 GLY 52 -12.658 0.034 -11.843 388 H ASN 53 HN ASN 53 -14.143 -0.050 -10.338 389 HA ASN 53 HA ASN 53 -14.658 2.335 -8.748 390 HB2 ASN 53 HB2 ASN 53 -16.642 1.216 -7.886 391 HB3 ASN 53 HB1 ASN 53 -16.649 1.102 -9.641 392 HD21 ASN 53 HD21 ASN 53 -16.537 -0.649 -6.643 393 HD22 ASN 53 HD22 ASN 53 -16.631 -2.216 -7.340 394 H ARG 54 HN ARG 54 -14.881 2.061 -6.446 395 HA ARG 54 HA ARG 54 -12.656 1.066 -5.160 396 HB2 ARG 54 HB2 ARG 54 -14.023 1.361 -3.056 397 HB3 ARG 54 HB1 ARG 54 -13.999 2.762 -4.120 398 HG2 ARG 54 HG2 ARG 54 -16.215 1.921 -5.036 399 HG3 ARG 54 HG1 ARG 54 -16.237 0.804 -3.677 400 HD2 ARG 54 HD2 ARG 54 -16.043 3.799 -3.473 401 HD3 ARG 54 HD1 ARG 54 -17.522 2.867 -3.299 402 HE ARG 54 HE ARG 54 -15.938 1.768 -1.426 403 HH11 ARG 54 HH11 ARG 54 -16.777 5.159 -2.110 404 HH12 ARG 54 HH12 ARG 54 -16.714 5.671 -0.501 405 HH21 ARG 54 HH21 ARG 54 -15.857 2.492 0.857 406 HH22 ARG 54 HH22 ARG 54 -16.182 4.122 1.221 407 H THR 55 HN THR 55 -12.005 -0.901 -5.141 408 HA THR 55 HA THR 55 -13.552 -3.007 -3.978 409 HB THR 55 HB THR 55 -14.468 -3.141 -6.246 410 HG1 THR 55 HG1 THR 55 -13.013 -5.160 -5.111 411 HG21 THR 55 HG21 THR 55 -12.633 -2.117 -7.488 412 HG22 THR 55 HG22 THR 55 -12.992 -3.705 -8.187 413 HG23 THR 55 HG23 THR 55 -11.593 -3.482 -7.129 414 H VAL 56 HN VAL 56 -10.573 -1.795 -5.314 415 HA VAL 56 HA VAL 56 -9.205 -4.105 -4.179 416 HB VAL 56 HB VAL 56 -7.265 -3.450 -5.690 417 HG11 VAL 56 HG11 VAL 56 -9.821 -4.395 -6.998 418 HG12 VAL 56 HG12 VAL 56 -8.626 -5.405 -6.179 419 HG13 VAL 56 HG13 VAL 56 -8.204 -4.577 -7.677 420 HG21 VAL 56 HG21 VAL 56 -7.990 -1.222 -6.294 421 HG22 VAL 56 HG22 VAL 56 -9.418 -1.889 -7.086 422 HG23 VAL 56 HG23 VAL 56 -7.810 -2.226 -7.738 423 HA PRO 57 HA PRO 57 -7.232 -1.406 -1.353 424 HB2 PRO 57 HB2 PRO 57 -4.858 -2.698 -0.975 425 HB3 PRO 57 HB1 PRO 57 -6.378 -3.286 -0.294 426 HG2 PRO 57 HG2 PRO 57 -4.944 -4.182 -2.753 427 HG3 PRO 57 HG1 PRO 57 -5.766 -5.152 -1.511 428 HD2 PRO 57 HD2 PRO 57 -6.857 -4.534 -3.918 429 HD3 PRO 57 HD1 PRO 57 -7.835 -4.789 -2.448 430 H THR 58 HN THR 58 -5.709 0.217 -1.318 431 HA THR 58 HA THR 58 -3.880 0.411 -3.602 432 HB THR 58 HB THR 58 -5.523 2.693 -2.514 433 HG1 THR 58 HG1 THR 58 -6.291 0.715 -4.049 434 HG21 THR 58 HG21 THR 58 -3.384 3.308 -3.614 435 HG22 THR 58 HG22 THR 58 -4.800 3.878 -4.490 436 HG23 THR 58 HG23 THR 58 -3.927 2.465 -5.080 437 H VAL 59 HN VAL 59 -1.990 1.152 -3.151 438 HA VAL 59 HA VAL 59 -1.521 1.613 -0.337 439 HB VAL 59 HB VAL 59 -0.442 -0.361 -1.255 440 HG11 VAL 59 HG11 VAL 59 0.953 1.525 -3.110 441 HG12 VAL 59 HG12 VAL 59 -0.205 0.258 -3.548 442 HG13 VAL 59 HG13 VAL 59 1.375 -0.175 -2.878 443 HG21 VAL 59 HG21 VAL 59 1.833 0.147 -0.661 444 HG22 VAL 59 HG22 VAL 59 0.608 0.711 0.505 445 HG23 VAL 59 HG23 VAL 59 1.399 1.869 -0.592 446 H LYS 60 HN LYS 60 -0.789 3.469 0.308 447 HA LYS 60 HA LYS 60 -0.082 5.511 -1.680 448 HB2 LYS 60 HB2 LYS 60 -2.227 5.604 -0.259 449 HB3 LYS 60 HB1 LYS 60 -1.181 5.899 1.099 450 HG2 LYS 60 HG2 LYS 60 -1.222 7.690 -1.327 451 HG3 LYS 60 HG1 LYS 60 -2.285 7.941 0.045 452 HD2 LYS 60 HD2 LYS 60 0.719 7.919 0.141 453 HD3 LYS 60 HD1 LYS 60 -0.315 9.354 0.053 454 HE2 LYS 60 HE2 LYS 60 -0.343 7.329 2.308 455 HE3 LYS 60 HE1 LYS 60 0.486 8.876 2.352 456 HZ1 LYS 60 HZ1 LYS 60 -1.685 9.966 2.039 457 HZ2 LYS 60 HZ2 LYS 60 -1.581 9.098 3.459 458 HZ3 LYS 60 HZ3 LYS 60 -2.484 8.480 2.185 459 H PHE 61 HN PHE 61 2.050 5.784 -1.605 460 HA PHE 61 HA PHE 61 3.552 4.899 0.688 461 HB2 PHE 61 HB2 PHE 61 4.441 6.079 -1.929 462 HB3 PHE 61 HB1 PHE 61 5.541 5.574 -0.654 463 HD1 PHE 61 HD1 PHE 61 2.916 4.354 -2.951 464 HD2 PHE 61 HD2 PHE 61 6.218 3.328 -0.471 465 HE1 PHE 61 HE1 PHE 61 2.938 2.115 -3.897 466 HE2 PHE 61 HE2 PHE 61 6.249 1.099 -1.429 467 HZ PHE 61 HZ PHE 61 4.634 0.480 -3.139 468 H ALA 62 HN ALA 62 5.442 6.321 1.389 469 HA ALA 62 HA ALA 62 4.419 8.604 2.647 470 HB1 ALA 62 HB1 ALA 62 7.304 7.832 2.259 471 HB2 ALA 62 HB2 ALA 62 6.255 7.256 3.555 472 HB3 ALA 62 HB3 ALA 62 6.676 8.968 3.452 473 H ASP 63 HN ASP 63 5.683 8.245 -0.513 474 HA ASP 63 HA ASP 63 6.508 11.016 -0.734 475 HB2 ASP 63 HB2 ASP 63 7.192 10.524 -2.967 476 HB3 ASP 63 HB1 ASP 63 7.630 9.117 -2.014 477 H GLY 64 HN GLY 64 3.621 9.284 -0.906 478 HA2 GLY 64 HA2 GLY 64 1.578 10.524 -0.983 479 HA3 GLY 64 HA1 GLY 64 2.336 11.626 -2.118 480 H SER 65 HN SER 65 3.404 9.030 -3.474 481 HA SER 65 HA SER 65 1.226 8.997 -5.341 482 HB2 SER 65 HB2 SER 65 3.813 7.465 -5.400 483 HB3 SER 65 HB1 SER 65 2.684 7.669 -6.744 484 HG SER 65 HG SER 65 4.447 9.444 -5.548 485 H THR 66 HN THR 66 0.068 7.218 -6.040 486 HA THR 66 HA THR 66 -0.142 5.052 -4.105 487 HB THR 66 HB THR 66 -2.486 4.935 -5.181 488 HG1 THR 66 HG1 THR 66 -2.283 6.419 -6.806 489 HG21 THR 66 HG21 THR 66 -1.693 7.192 -3.359 490 HG22 THR 66 HG22 THR 66 -2.068 5.531 -2.877 491 HG23 THR 66 HG23 THR 66 -3.328 6.559 -3.565 492 H LEU 67 HN LEU 67 -0.213 3.020 -4.848 493 HA LEU 67 HA LEU 67 -0.349 2.623 -7.744 494 HB2 LEU 67 HB2 LEU 67 1.261 0.886 -5.806 495 HB3 LEU 67 HB1 LEU 67 1.063 0.594 -7.507 496 HG LEU 67 HG LEU 67 2.589 2.909 -6.294 497 HD11 LEU 67 HD11 LEU 67 4.575 1.805 -7.133 498 HD12 LEU 67 HD12 LEU 67 3.598 0.524 -7.835 499 HD13 LEU 67 HD13 LEU 67 3.707 0.671 -6.089 500 HD21 LEU 67 HD21 LEU 67 2.238 2.102 -9.183 501 HD22 LEU 67 HD22 LEU 67 3.315 3.363 -8.588 502 HD23 LEU 67 HD23 LEU 67 1.568 3.545 -8.416 503 H THR 68 HN THR 68 -1.985 1.349 -8.347 504 HA THR 68 HA THR 68 -3.885 0.433 -6.438 505 HB THR 68 HB THR 68 -3.647 -0.183 -9.410 506 HG1 THR 68 HG1 THR 68 -5.191 1.928 -8.275 507 HG21 THR 68 HG21 THR 68 -6.053 -0.044 -7.574 508 HG22 THR 68 HG22 THR 68 -5.323 -1.528 -8.179 509 HG23 THR 68 HG23 THR 68 -6.092 -0.406 -9.301 510 H ASN 69 HN ASN 69 -4.282 -1.757 -5.812 511 HA ASN 69 HA ASN 69 -2.760 -3.317 -4.657 512 HB2 ASN 69 HB2 ASN 69 -4.990 -4.107 -5.184 513 HB3 ASN 69 HB1 ASN 69 -4.439 -4.701 -6.758 514 HD21 ASN 69 HD21 ASN 69 -4.803 -6.896 -6.388 515 HD22 ASN 69 HD22 ASN 69 -3.929 -7.776 -5.197 516 HA PRO 70 HA PRO 70 0.715 -4.421 -7.356 517 HB2 PRO 70 HB2 PRO 70 2.498 -3.487 -5.445 518 HB3 PRO 70 HB1 PRO 70 1.960 -2.593 -6.865 519 HG2 PRO 70 HG2 PRO 70 1.437 -1.937 -4.176 520 HG3 PRO 70 HG1 PRO 70 0.691 -1.214 -5.604 521 HD2 PRO 70 HD2 PRO 70 -0.384 -3.339 -3.792 522 HD3 PRO 70 HD1 PRO 70 -1.216 -2.072 -4.723 523 H SER 71 HN SER 71 2.834 -5.478 -6.463 524 HA SER 71 HA SER 71 2.028 -7.371 -4.431 525 HB2 SER 71 HB2 SER 71 3.812 -7.816 -6.837 526 HB3 SER 71 HB1 SER 71 3.359 -9.049 -5.645 527 HG SER 71 HG SER 71 1.218 -7.749 -6.551 528 H ALA 72 HN ALA 72 4.306 -8.412 -3.583 529 HA ALA 72 HA ALA 72 5.262 -6.343 -1.942 530 HB1 ALA 72 HB1 ALA 72 5.119 -8.650 -1.251 531 HB2 ALA 72 HB2 ALA 72 6.727 -7.976 -0.992 532 HB3 ALA 72 HB3 ALA 72 6.437 -9.071 -2.346 533 H ASP 73 HN ASP 73 6.829 -7.860 -4.755 534 HA ASP 73 HA ASP 73 9.302 -6.548 -4.223 535 HB2 ASP 73 HB2 ASP 73 9.076 -8.594 -5.668 536 HB3 ASP 73 HB1 ASP 73 8.344 -7.559 -6.893 537 H GLU 74 HN GLU 74 6.518 -5.763 -6.166 538 HA GLU 74 HA GLU 74 7.487 -3.496 -7.503 539 HB2 GLU 74 HB2 GLU 74 4.686 -4.266 -6.670 540 HB3 GLU 74 HB1 GLU 74 5.038 -2.865 -7.654 541 HG2 GLU 74 HG2 GLU 74 4.251 -4.797 -8.958 542 HG3 GLU 74 HG1 GLU 74 5.859 -4.269 -9.445 543 H VAL 75 HN VAL 75 5.780 -3.809 -4.418 544 HA VAL 75 HA VAL 75 5.864 -1.006 -4.007 545 HB VAL 75 HB VAL 75 5.196 -1.550 -1.558 546 HG11 VAL 75 HG11 VAL 75 3.465 -2.718 -3.717 547 HG12 VAL 75 HG12 VAL 75 3.579 -0.993 -3.428 548 HG13 VAL 75 HG13 VAL 75 2.930 -2.057 -2.174 549 HG21 VAL 75 HG21 VAL 75 4.785 -4.227 -2.788 550 HG22 VAL 75 HG22 VAL 75 4.383 -3.757 -1.137 551 HG23 VAL 75 HG23 VAL 75 6.086 -3.884 -1.639 552 H LYS 76 HN LYS 76 7.976 -3.623 -3.034 553 HA LYS 76 HA LYS 76 9.673 -2.181 -1.307 554 HB2 LYS 76 HB2 LYS 76 10.280 -4.435 -3.216 555 HB3 LYS 76 HB1 LYS 76 11.459 -3.787 -2.082 556 HG2 LYS 76 HG2 LYS 76 10.118 -4.551 -0.221 557 HG3 LYS 76 HG1 LYS 76 8.825 -5.030 -1.317 558 HD2 LYS 76 HD2 LYS 76 10.082 -6.993 -0.655 559 HD3 LYS 76 HD1 LYS 76 10.346 -6.670 -2.366 560 HE2 LYS 76 HE2 LYS 76 12.486 -5.522 -1.721 561 HE3 LYS 76 HE1 LYS 76 12.208 -6.083 -0.074 562 HZ1 LYS 76 HZ1 LYS 76 12.229 -8.389 -0.950 563 HZ2 LYS 76 HZ2 LYS 76 13.671 -7.568 -1.240 564 HZ3 LYS 76 HZ3 LYS 76 12.560 -7.758 -2.482 565 H ALA 77 HN ALA 77 9.614 -2.539 -4.800 566 HA ALA 77 HA ALA 77 12.011 -1.292 -5.463 567 HB1 ALA 77 HB1 ALA 77 11.070 -1.057 -7.687 568 HB2 ALA 77 HB2 ALA 77 9.455 -1.363 -7.046 569 HB3 ALA 77 HB3 ALA 77 10.670 -2.637 -7.007 570 H LYS 78 HN LYS 78 8.870 0.046 -4.787 571 HA LYS 78 HA LYS 78 9.712 2.677 -5.614 572 HB2 LYS 78 HB2 LYS 78 7.285 1.639 -5.649 573 HB3 LYS 78 HB1 LYS 78 7.244 2.199 -3.981 574 HG2 LYS 78 HG2 LYS 78 7.897 4.479 -4.853 575 HG3 LYS 78 HG1 LYS 78 7.630 3.802 -6.466 576 HD2 LYS 78 HD2 LYS 78 5.320 3.273 -5.833 577 HD3 LYS 78 HD1 LYS 78 5.593 4.085 -4.289 578 HE2 LYS 78 HE2 LYS 78 5.826 5.324 -7.020 579 HE3 LYS 78 HE1 LYS 78 4.509 5.575 -5.876 580 HZ1 LYS 78 HZ1 LYS 78 6.167 7.375 -5.909 581 HZ2 LYS 78 HZ2 LYS 78 7.347 6.327 -5.377 582 HZ3 LYS 78 HZ3 LYS 78 6.040 6.709 -4.381 583 H LEU 79 HN LEU 79 8.907 0.989 -2.612 584 HA LEU 79 HA LEU 79 9.233 2.992 -0.743 585 HB2 LEU 79 HB2 LEU 79 8.203 0.910 -0.197 586 HB3 LEU 79 HB1 LEU 79 9.663 0.024 -0.567 587 HG LEU 79 HG LEU 79 10.758 1.066 1.367 588 HD11 LEU 79 HD11 LEU 79 9.485 3.122 1.533 589 HD12 LEU 79 HD12 LEU 79 9.396 2.236 3.053 590 HD13 LEU 79 HD13 LEU 79 8.028 2.216 1.939 591 HD21 LEU 79 HD21 LEU 79 9.539 -0.212 3.084 592 HD22 LEU 79 HD22 LEU 79 9.770 -1.118 1.593 593 HD23 LEU 79 HD23 LEU 79 8.198 -0.410 1.954 594 H VAL 80 HN VAL 80 11.682 0.799 -2.064 595 HA VAL 80 HA VAL 80 13.722 1.437 -0.290 596 HB VAL 80 HB VAL 80 13.783 -0.517 -1.797 597 HG11 VAL 80 HG11 VAL 80 14.403 1.446 -3.982 598 HG12 VAL 80 HG12 VAL 80 12.959 0.444 -3.838 599 HG13 VAL 80 HG13 VAL 80 14.532 -0.308 -4.104 600 HG21 VAL 80 HG21 VAL 80 16.168 1.298 -2.063 601 HG22 VAL 80 HG22 VAL 80 16.167 -0.447 -2.341 602 HG23 VAL 80 HG23 VAL 80 15.818 0.192 -0.735 603 H LYS 81 HN LYS 81 12.615 3.140 -3.107 604 HA LYS 81 HA LYS 81 14.954 4.807 -3.295 605 HB2 LYS 81 HB2 LYS 81 12.272 5.131 -4.651 606 HB3 LYS 81 HB1 LYS 81 13.752 5.971 -5.074 607 HG2 LYS 81 HG2 LYS 81 14.758 3.735 -5.625 608 HG3 LYS 81 HG1 LYS 81 13.154 3.033 -5.391 609 HD2 LYS 81 HD2 LYS 81 12.259 4.518 -7.130 610 HD3 LYS 81 HD1 LYS 81 13.863 5.204 -7.366 611 HE2 LYS 81 HE2 LYS 81 13.640 3.624 -9.088 612 HE3 LYS 81 HE1 LYS 81 14.623 2.822 -7.872 613 HZ1 LYS 81 HZ1 LYS 81 11.732 2.388 -8.406 614 HZ2 LYS 81 HZ2 LYS 81 12.536 1.695 -7.107 615 HZ3 LYS 81 HZ3 LYS 81 12.986 1.317 -8.683 616 H ILE 82 HN ILE 82 12.044 4.813 -1.556 617 HA ILE 82 HA ILE 82 11.921 7.681 -1.151 618 HB ILE 82 HB ILE 82 10.304 5.466 0.149 619 HG12 ILE 82 HG12 ILE 82 9.590 7.262 -2.188 620 HG13 ILE 82 HG11 ILE 82 10.057 5.571 -2.316 621 HG21 ILE 82 HG21 ILE 82 8.712 7.261 0.710 622 HG22 ILE 82 HG22 ILE 82 9.824 8.455 0.038 623 HG23 ILE 82 HG23 ILE 82 10.283 7.527 1.465 624 HD11 ILE 82 HD11 ILE 82 7.659 5.847 -2.485 625 HD12 ILE 82 HD12 ILE 82 7.624 6.636 -0.909 626 HD13 ILE 82 HD13 ILE 82 8.079 4.937 -1.033 627 H ALA 83 HN ALA 83 12.642 4.785 0.747 628 HA ALA 83 HA ALA 83 13.362 6.439 3.030 629 HB1 ALA 83 HB1 ALA 83 11.989 4.438 3.392 630 HB2 ALA 83 HB2 ALA 83 13.497 4.398 4.304 631 HB3 ALA 83 HB3 ALA 83 13.338 3.437 2.836 632 H GLY 84 HN GLY 84 14.976 4.630 0.521 633 HA2 GLY 84 HA2 GLY 84 17.192 4.521 0.004 634 HA3 GLY 84 HA1 GLY 84 17.498 5.696 1.279 635 H LEU 85 HN LEU 85 16.162 2.426 1.314 636 HA LEU 85 HA LEU 85 17.821 1.769 3.605 637 HB2 LEU 85 HB2 LEU 85 16.012 -0.142 2.070 638 HB3 LEU 85 HB1 LEU 85 16.698 -0.357 3.651 639 HG LEU 85 HG LEU 85 14.673 1.762 3.010 640 HD11 LEU 85 HD11 LEU 85 13.751 -0.451 2.668 641 HD12 LEU 85 HD12 LEU 85 13.062 0.297 4.116 642 HD13 LEU 85 HD13 LEU 85 14.302 -0.952 4.267 643 HD21 LEU 85 HD21 LEU 85 15.719 0.680 5.633 644 HD22 LEU 85 HD22 LEU 85 14.433 1.875 5.450 645 HD23 LEU 85 HD23 LEU 85 16.078 2.267 4.948 646 H GLU 86 HN GLU 86 17.279 -0.031 0.562 647 HA GLU 86 HA GLU 86 20.063 -0.791 0.651 648 HB2 GLU 86 HB2 GLU 86 18.113 -2.402 0.060 649 HB3 GLU 86 HB1 GLU 86 18.058 -1.577 -1.484 650 HG2 GLU 86 HG2 GLU 86 20.500 -2.994 -0.417 651 HG3 GLU 86 HG1 GLU 86 19.310 -3.755 -1.459 652 H HIS 87 HN HIS 87 20.816 1.238 0.418 653 HA HIS 87 HA HIS 87 21.028 2.160 -2.340 654 HB2 HIS 87 HB2 HIS 87 19.356 3.578 -0.972 655 HB3 HIS 87 HB1 HIS 87 20.729 4.043 0.022 656 HD1 HIS 87 HD1 HIS 87 18.794 5.325 -2.612 657 HD2 HIS 87 HD2 HIS 87 22.868 5.197 -1.852 658 HE1 HIS 87 HE1 HIS 87 19.821 7.105 -4.049 659 H HIS 88 HN HIS 88 23.012 1.261 -2.421 660 HA HIS 88 HA HIS 88 24.970 2.065 -0.409 661 HB2 HIS 88 HB2 HIS 88 24.864 -0.475 -2.060 662 HB3 HIS 88 HB1 HIS 88 26.166 -0.035 -0.963 663 HD1 HIS 88 HD1 HIS 88 22.617 -1.343 -0.974 664 HD2 HIS 88 HD2 HIS 88 25.622 -0.381 1.748 665 HE1 HIS 88 HE1 HIS 88 21.886 -2.277 1.241 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 8.756 13.885 4.280 2 H2 MET 1 HT2 MET 1 9.925 12.815 3.733 3 H3 MET 1 HT3 MET 1 10.388 14.353 4.288 4 HA MET 1 HA MET 1 10.844 12.612 5.886 5 HB2 MET 1 HB2 MET 1 10.239 14.811 6.804 6 HB3 MET 1 HB1 MET 1 8.531 14.421 6.672 7 HG2 MET 1 HG2 MET 1 8.809 12.653 8.348 8 HG3 MET 1 HG1 MET 1 10.519 13.042 8.469 9 HE1 MET 1 HE1 MET 1 7.149 15.907 9.829 10 HE2 MET 1 HE2 MET 1 6.850 14.304 9.151 11 HE3 MET 1 HE3 MET 1 7.486 15.586 8.128 12 H VAL 2 HN VAL 2 10.293 10.632 6.557 13 HA VAL 2 HA VAL 2 7.765 9.623 5.647 14 HB VAL 2 HB VAL 2 8.533 7.389 6.451 15 HG11 VAL 2 HG11 VAL 2 10.352 7.088 4.843 16 HG12 VAL 2 HG12 VAL 2 10.558 8.835 4.759 17 HG13 VAL 2 HG13 VAL 2 9.063 8.098 4.183 18 HG21 VAL 2 HG21 VAL 2 10.809 7.062 7.263 19 HG22 VAL 2 HG22 VAL 2 9.930 8.141 8.345 20 HG23 VAL 2 HG23 VAL 2 11.099 8.798 7.201 21 H THR 3 HN THR 3 6.028 9.988 6.766 22 HA THR 3 HA THR 3 6.206 9.952 9.686 23 HB THR 3 HB THR 3 5.071 11.931 8.501 24 HG1 THR 3 HG1 THR 3 4.647 11.403 10.671 25 HG21 THR 3 HG21 THR 3 2.763 11.639 7.706 26 HG22 THR 3 HG22 THR 3 2.875 9.907 8.007 27 HG23 THR 3 HG23 THR 3 3.870 10.644 6.758 28 H ALA 4 HN ALA 4 5.273 8.241 6.969 29 HA ALA 4 HA ALA 4 4.472 5.943 8.479 30 HB1 ALA 4 HB1 ALA 4 2.318 6.944 7.813 31 HB2 ALA 4 HB2 ALA 4 2.638 5.511 6.839 32 HB3 ALA 4 HB3 ALA 4 2.898 7.114 6.156 33 H ALA 5 HN ALA 5 4.799 4.057 6.987 34 HA ALA 5 HA ALA 5 7.051 4.627 5.194 35 HB1 ALA 5 HB1 ALA 5 5.821 1.992 6.053 36 HB2 ALA 5 HB2 ALA 5 7.236 2.749 6.775 37 HB3 ALA 5 HB3 ALA 5 7.301 2.173 5.106 38 H LEU 6 HN LEU 6 4.156 2.660 5.013 39 HA LEU 6 HA LEU 6 3.322 3.930 2.617 40 HB2 LEU 6 HB2 LEU 6 3.034 1.850 1.332 41 HB3 LEU 6 HB1 LEU 6 4.717 2.204 1.603 42 HG LEU 6 HG LEU 6 3.215 0.147 3.247 43 HD11 LEU 6 HD11 LEU 6 4.212 -1.529 1.776 44 HD12 LEU 6 HD12 LEU 6 4.834 -0.229 0.742 45 HD13 LEU 6 HD13 LEU 6 3.093 -0.472 0.915 46 HD21 LEU 6 HD21 LEU 6 5.333 0.980 4.171 47 HD22 LEU 6 HD22 LEU 6 6.147 0.551 2.669 48 HD23 LEU 6 HD23 LEU 6 5.452 -0.711 3.686 49 H THR 7 HN THR 7 1.213 4.003 2.577 50 HA THR 7 HA THR 7 -0.140 2.812 4.878 51 HB THR 7 HB THR 7 -0.956 5.174 3.186 52 HG1 THR 7 HG1 THR 7 0.978 4.885 4.966 53 HG21 THR 7 HG21 THR 7 -2.801 4.103 4.426 54 HG22 THR 7 HG22 THR 7 -2.425 5.688 5.099 55 HG23 THR 7 HG23 THR 7 -1.869 4.226 5.916 56 H ILE 8 HN ILE 8 -1.381 1.190 4.485 57 HA ILE 8 HA ILE 8 -2.438 0.550 1.867 58 HB ILE 8 HB ILE 8 -2.323 -0.893 4.504 59 HG12 ILE 8 HG12 ILE 8 -1.213 -1.597 1.793 60 HG13 ILE 8 HG11 ILE 8 -0.284 -0.899 3.126 61 HG21 ILE 8 HG21 ILE 8 -3.418 -2.834 3.475 62 HG22 ILE 8 HG22 ILE 8 -3.818 -1.833 2.066 63 HG23 ILE 8 HG23 ILE 8 -4.457 -1.423 3.665 64 HD11 ILE 8 HD11 ILE 8 -1.634 -3.591 3.070 65 HD12 ILE 8 HD12 ILE 8 -0.695 -2.934 4.414 66 HD13 ILE 8 HD13 ILE 8 0.088 -3.276 2.867 67 H TYR 9 HN TYR 9 -4.428 0.902 1.252 68 HA TYR 9 HA TYR 9 -6.521 1.638 3.207 69 HB2 TYR 9 HB2 TYR 9 -6.274 2.309 0.267 70 HB3 TYR 9 HB1 TYR 9 -7.606 2.770 1.310 71 HD1 TYR 9 HD2 TYR 9 -7.199 4.366 3.139 72 HD2 TYR 9 HD1 TYR 9 -4.284 3.569 0.174 73 HE1 TYR 9 HE2 TYR 9 -6.054 6.441 3.739 74 HE2 TYR 9 HE1 TYR 9 -3.116 5.631 0.755 75 HH TYR 9 HH TYR 9 -3.955 7.485 3.547 76 H THR 10 HN THR 10 -7.712 -0.213 3.592 77 HA THR 10 HA THR 10 -9.139 -1.269 1.392 78 HB THR 10 HB THR 10 -6.930 -2.436 1.206 79 HG1 THR 10 HG1 THR 10 -8.862 -3.396 0.398 80 HG21 THR 10 HG21 THR 10 -7.786 -3.770 3.784 81 HG22 THR 10 HG22 THR 10 -6.392 -2.710 3.576 82 HG23 THR 10 HG23 THR 10 -6.427 -4.286 2.784 83 H THR 11 HN THR 11 -10.284 -3.419 2.281 84 HA THR 11 HA THR 11 -10.854 -3.430 5.054 85 HB THR 11 HB THR 11 -13.135 -2.968 3.075 86 HG1 THR 11 HG1 THR 11 -11.541 -1.272 4.467 87 HG21 THR 11 HG21 THR 11 -13.754 -4.319 5.045 88 HG22 THR 11 HG22 THR 11 -14.532 -2.736 5.080 89 HG23 THR 11 HG23 THR 11 -13.130 -3.050 6.103 90 H SER 12 HN SER 12 -11.950 -5.478 5.552 91 HA SER 12 HA SER 12 -11.025 -7.700 4.397 92 HB2 SER 12 HB2 SER 12 -13.600 -7.329 5.862 93 HB3 SER 12 HB1 SER 12 -12.691 -8.850 5.746 94 HG SER 12 HG SER 12 -11.582 -8.156 7.377 95 H TRP 13 HN TRP 13 -13.678 -5.871 3.019 96 HA TRP 13 HA TRP 13 -14.834 -8.153 1.731 97 HB2 TRP 13 HB2 TRP 13 -16.257 -6.555 0.504 98 HB3 TRP 13 HB1 TRP 13 -16.296 -6.298 2.241 99 HD1 TRP 13 HD1 TRP 13 -15.260 -4.028 3.155 100 HE1 TRP 13 HE1 TRP 13 -14.726 -1.792 2.020 101 HE3 TRP 13 HE3 TRP 13 -15.438 -5.532 -1.717 102 HZ2 TRP 13 HZ2 TRP 13 -14.425 -0.787 -0.585 103 HZ3 TRP 13 HZ3 TRP 13 -15.026 -3.866 -3.470 104 HH2 TRP 13 HH2 TRP 13 -14.533 -1.532 -2.906 105 H CYS 14 HN CYS 14 -12.178 -6.148 1.003 106 HA CYS 14 HA CYS 14 -12.286 -6.538 -1.833 107 HB2 CYS 14 HB2 CYS 14 -9.914 -5.841 -0.074 108 HB3 CYS 14 HB1 CYS 14 -9.979 -5.699 -1.823 109 HG CYS 14 HG CYS 14 -11.708 -3.646 -1.916 110 H GLY 15 HN GLY 15 -11.261 -8.178 -3.025 111 HA2 GLY 15 HA2 GLY 15 -10.841 -10.655 -1.715 112 HA3 GLY 15 HA1 GLY 15 -10.463 -10.305 -3.395 113 H TYR 16 HN TYR 16 -8.586 -8.431 -3.248 114 HA TYR 16 HA TYR 16 -6.313 -9.949 -2.528 115 HB2 TYR 16 HB2 TYR 16 -6.557 -7.192 -3.668 116 HB3 TYR 16 HB1 TYR 16 -5.006 -7.899 -3.258 117 HD1 TYR 16 HD1 TYR 16 -5.022 -10.554 -4.257 118 HD2 TYR 16 HD2 TYR 16 -6.885 -7.117 -5.943 119 HE1 TYR 16 HE1 TYR 16 -4.868 -11.563 -6.490 120 HE2 TYR 16 HE2 TYR 16 -6.762 -8.131 -8.164 121 HH TYR 16 HH TYR 16 -5.421 -9.754 -9.313 122 H CYS 17 HN CYS 17 -8.153 -8.121 -0.480 123 HA CYS 17 HA CYS 17 -6.442 -6.353 0.853 124 HB2 CYS 17 HB2 CYS 17 -7.850 -6.621 2.854 125 HB3 CYS 17 HB1 CYS 17 -8.818 -6.398 1.410 126 HG CYS 17 HG CYS 17 -10.064 -8.691 1.450 127 H LEU 18 HN LEU 18 -7.030 -9.649 1.950 128 HA LEU 18 HA LEU 18 -4.909 -9.418 3.851 129 HB2 LEU 18 HB2 LEU 18 -7.158 -10.867 3.756 130 HB3 LEU 18 HB1 LEU 18 -6.063 -12.054 3.099 131 HG LEU 18 HG LEU 18 -6.452 -12.338 5.516 132 HD11 LEU 18 HD11 LEU 18 -4.384 -13.157 4.594 133 HD12 LEU 18 HD12 LEU 18 -4.107 -12.519 6.222 134 HD13 LEU 18 HD13 LEU 18 -3.641 -11.578 4.801 135 HD21 LEU 18 HD21 LEU 18 -6.774 -9.990 6.085 136 HD22 LEU 18 HD22 LEU 18 -5.073 -9.669 5.784 137 HD23 LEU 18 HD23 LEU 18 -5.545 -10.730 7.110 138 H ARG 19 HN ARG 19 -5.261 -10.539 0.634 139 HA ARG 19 HA ARG 19 -3.058 -12.249 0.420 140 HB2 ARG 19 HB2 ARG 19 -4.861 -12.059 -1.274 141 HB3 ARG 19 HB1 ARG 19 -4.283 -10.457 -1.687 142 HG2 ARG 19 HG2 ARG 19 -3.582 -12.062 -3.344 143 HG3 ARG 19 HG1 ARG 19 -2.182 -11.424 -2.487 144 HD2 ARG 19 HD2 ARG 19 -2.074 -13.429 -1.120 145 HD3 ARG 19 HD1 ARG 19 -3.535 -14.056 -1.886 146 HE ARG 19 HE ARG 19 -1.735 -13.516 -3.897 147 HH11 ARG 19 HH11 ARG 19 -1.936 -15.765 -1.122 148 HH12 ARG 19 HH12 ARG 19 -0.917 -16.919 -1.852 149 HH21 ARG 19 HH21 ARG 19 -0.419 -15.197 -4.866 150 HH22 ARG 19 HH22 ARG 19 -0.065 -16.622 -3.971 151 H LEU 20 HN LEU 20 -3.417 -8.782 -0.089 152 HA LEU 20 HA LEU 20 -0.730 -8.242 -0.743 153 HB2 LEU 20 HB2 LEU 20 -2.507 -6.702 -1.326 154 HB3 LEU 20 HB1 LEU 20 -2.934 -6.490 0.355 155 HG LEU 20 HG LEU 20 -0.823 -5.339 0.751 156 HD11 LEU 20 HD11 LEU 20 0.586 -6.360 -0.958 157 HD12 LEU 20 HD12 LEU 20 0.575 -4.611 -1.161 158 HD13 LEU 20 HD13 LEU 20 -0.392 -5.625 -2.227 159 HD21 LEU 20 HD21 LEU 20 -2.441 -4.202 -1.520 160 HD22 LEU 20 HD22 LEU 20 -1.343 -3.283 -0.491 161 HD23 LEU 20 HD23 LEU 20 -2.782 -4.032 0.203 162 H LYS 21 HN LYS 21 -2.527 -8.248 2.293 163 HA LYS 21 HA LYS 21 -0.576 -7.182 4.024 164 HB2 LYS 21 HB2 LYS 21 -2.500 -9.396 4.647 165 HB3 LYS 21 HB1 LYS 21 -1.778 -8.395 5.860 166 HG2 LYS 21 HG2 LYS 21 -3.882 -7.694 3.790 167 HG3 LYS 21 HG1 LYS 21 -4.081 -7.747 5.536 168 HD2 LYS 21 HD2 LYS 21 -2.273 -5.750 4.184 169 HD3 LYS 21 HD1 LYS 21 -3.998 -5.471 4.332 170 HE2 LYS 21 HE2 LYS 21 -1.978 -5.726 6.589 171 HE3 LYS 21 HE1 LYS 21 -2.889 -4.338 6.055 172 HZ1 LYS 21 HZ1 LYS 21 -4.088 -6.755 7.283 173 HZ2 LYS 21 HZ2 LYS 21 -4.938 -5.423 6.712 174 HZ3 LYS 21 HZ3 LYS 21 -3.906 -5.257 8.025 175 H THR 22 HN THR 22 -1.293 -10.557 3.185 176 HA THR 22 HA THR 22 0.760 -11.763 4.626 177 HB THR 22 HB THR 22 -0.620 -12.716 2.107 178 HG1 THR 22 HG1 THR 22 -2.220 -13.142 3.343 179 HG21 THR 22 HG21 THR 22 -0.022 -14.977 2.896 180 HG22 THR 22 HG22 THR 22 0.870 -14.267 4.245 181 HG23 THR 22 HG23 THR 22 1.418 -14.007 2.588 182 H ALA 23 HN ALA 23 0.653 -10.689 1.237 183 HA ALA 23 HA ALA 23 3.108 -11.698 0.427 184 HB1 ALA 23 HB1 ALA 23 1.421 -10.807 -1.111 185 HB2 ALA 23 HB2 ALA 23 2.999 -10.073 -1.394 186 HB3 ALA 23 HB3 ALA 23 1.746 -9.178 -0.526 187 H LEU 24 HN LEU 24 2.335 -8.576 1.891 188 HA LEU 24 HA LEU 24 5.046 -7.668 1.782 189 HB2 LEU 24 HB2 LEU 24 2.804 -6.697 3.522 190 HB3 LEU 24 HB1 LEU 24 4.292 -5.835 3.247 191 HG LEU 24 HG LEU 24 2.048 -6.303 1.289 192 HD11 LEU 24 HD11 LEU 24 1.670 -4.546 2.916 193 HD12 LEU 24 HD12 LEU 24 1.935 -3.832 1.312 194 HD13 LEU 24 HD13 LEU 24 3.216 -3.819 2.513 195 HD21 LEU 24 HD21 LEU 24 4.081 -6.431 -0.023 196 HD22 LEU 24 HD22 LEU 24 4.722 -4.995 0.786 197 HD23 LEU 24 HD23 LEU 24 3.316 -4.867 -0.261 198 H THR 25 HN THR 25 3.112 -9.144 4.291 199 HA THR 25 HA THR 25 5.025 -8.913 6.328 200 HB THR 25 HB THR 25 2.838 -10.979 5.983 201 HG1 THR 25 HG1 THR 25 1.824 -9.072 5.991 202 HG21 THR 25 HG21 THR 25 4.230 -9.985 8.493 203 HG22 THR 25 HG22 THR 25 4.452 -11.576 7.770 204 HG23 THR 25 HG23 THR 25 2.888 -11.130 8.449 205 H ALA 26 HN ALA 26 4.504 -11.427 3.881 206 HA ALA 26 HA ALA 26 6.386 -13.279 4.907 207 HB1 ALA 26 HB1 ALA 26 6.186 -14.398 2.753 208 HB2 ALA 26 HB2 ALA 26 5.384 -12.980 2.079 209 HB3 ALA 26 HB3 ALA 26 4.596 -13.917 3.350 210 H ASN 27 HN ASN 27 6.689 -10.502 2.853 211 HA ASN 27 HA ASN 27 9.490 -11.160 2.252 212 HB2 ASN 27 HB2 ASN 27 7.591 -9.164 1.011 213 HB3 ASN 27 HB1 ASN 27 9.318 -9.174 0.664 214 HD21 ASN 27 HD21 ASN 27 6.309 -10.862 0.267 215 HD22 ASN 27 HD22 ASN 27 6.841 -11.978 -0.926 216 H ARG 28 HN ARG 28 8.365 -10.223 4.794 217 HA ARG 28 HA ARG 28 8.556 -8.717 6.399 218 HB2 ARG 28 HB2 ARG 28 10.895 -8.164 7.109 219 HB3 ARG 28 HB1 ARG 28 10.557 -9.868 6.887 220 HG2 ARG 28 HG2 ARG 28 11.745 -9.920 4.858 221 HG3 ARG 28 HG1 ARG 28 11.866 -8.161 4.819 222 HD2 ARG 28 HD2 ARG 28 13.992 -9.262 5.546 223 HD3 ARG 28 HD1 ARG 28 13.325 -8.164 6.747 224 HE ARG 28 HE ARG 28 12.352 -10.724 7.251 225 HH11 ARG 28 HH11 ARG 28 15.487 -9.041 7.339 226 HH12 ARG 28 HH12 ARG 28 16.047 -9.926 8.677 227 HH21 ARG 28 HH21 ARG 28 13.183 -11.926 9.084 228 HH22 ARG 28 HH22 ARG 28 14.756 -11.603 9.651 229 H ILE 29 HN ILE 29 7.325 -7.291 4.984 230 HA ILE 29 HA ILE 29 8.786 -4.783 4.695 231 HB ILE 29 HB ILE 29 6.213 -5.668 3.375 232 HG12 ILE 29 HG12 ILE 29 8.870 -5.126 2.026 233 HG13 ILE 29 HG11 ILE 29 8.423 -6.737 2.594 234 HG21 ILE 29 HG21 ILE 29 6.388 -3.536 2.121 235 HG22 ILE 29 HG22 ILE 29 7.866 -3.159 3.021 236 HG23 ILE 29 HG23 ILE 29 6.343 -3.241 3.870 237 HD11 ILE 29 HD11 ILE 29 7.053 -5.063 0.504 238 HD12 ILE 29 HD12 ILE 29 6.520 -6.655 1.068 239 HD13 ILE 29 HD13 ILE 29 8.067 -6.491 0.257 240 H ALA 30 HN ALA 30 8.400 -3.436 6.223 241 HA ALA 30 HA ALA 30 6.248 -3.667 8.102 242 HB1 ALA 30 HB1 ALA 30 7.275 -1.625 9.020 243 HB2 ALA 30 HB2 ALA 30 8.318 -1.589 7.585 244 HB3 ALA 30 HB3 ALA 30 8.469 -2.915 8.744 245 H TYR 31 HN TYR 31 4.304 -2.651 7.892 246 HA TYR 31 HA TYR 31 4.147 -0.323 6.136 247 HB2 TYR 31 HB2 TYR 31 2.147 -1.212 5.001 248 HB3 TYR 31 HB1 TYR 31 3.594 -2.142 4.647 249 HD1 TYR 31 HD1 TYR 31 0.442 -2.136 6.568 250 HD2 TYR 31 HD2 TYR 31 3.711 -4.447 5.173 251 HE1 TYR 31 HE1 TYR 31 -0.750 -4.177 7.202 252 HE2 TYR 31 HE2 TYR 31 2.526 -6.513 5.802 253 HH TYR 31 HH TYR 31 0.743 -7.184 7.396 254 H ASP 32 HN ASP 32 2.030 0.642 6.127 255 HA ASP 32 HA ASP 32 0.889 0.676 8.818 256 HB2 ASP 32 HB2 ASP 32 1.492 2.858 6.840 257 HB3 ASP 32 HB1 ASP 32 0.411 3.122 8.219 258 H GLU 33 HN GLU 33 -1.344 0.650 8.825 259 HA GLU 33 HA GLU 33 -2.679 0.836 6.253 260 HB2 GLU 33 HB2 GLU 33 -4.230 -1.043 7.126 261 HB3 GLU 33 HB1 GLU 33 -2.692 -1.487 6.413 262 HG2 GLU 33 HG2 GLU 33 -3.074 -2.864 8.313 263 HG3 GLU 33 HG1 GLU 33 -1.786 -1.743 8.710 264 H VAL 34 HN VAL 34 -4.741 1.680 6.303 265 HA VAL 34 HA VAL 34 -5.750 2.442 8.908 266 HB VAL 34 HB VAL 34 -4.429 4.390 8.050 267 HG11 VAL 34 HG11 VAL 34 -6.404 4.445 5.802 268 HG12 VAL 34 HG12 VAL 34 -4.674 4.091 5.691 269 HG13 VAL 34 HG13 VAL 34 -5.221 5.698 6.164 270 HG21 VAL 34 HG21 VAL 34 -6.267 4.869 9.540 271 HG22 VAL 34 HG22 VAL 34 -7.395 4.845 8.183 272 HG23 VAL 34 HG23 VAL 34 -6.181 6.113 8.284 273 H ASP 35 HN ASP 35 -8.007 2.679 8.920 274 HA ASP 35 HA ASP 35 -9.269 1.021 6.967 275 HB2 ASP 35 HB2 ASP 35 -10.004 0.835 9.201 276 HB3 ASP 35 HB1 ASP 35 -10.289 2.566 9.331 277 H ILE 36 HN ILE 36 -10.615 1.545 5.399 278 HA ILE 36 HA ILE 36 -10.801 4.300 4.566 279 HB ILE 36 HB ILE 36 -11.790 3.431 2.481 280 HG12 ILE 36 HG12 ILE 36 -11.367 0.728 3.782 281 HG13 ILE 36 HG11 ILE 36 -12.924 1.450 3.399 282 HG21 ILE 36 HG21 ILE 36 -9.233 2.155 3.426 283 HG22 ILE 36 HG22 ILE 36 -9.406 3.704 2.585 284 HG23 ILE 36 HG23 ILE 36 -9.754 2.188 1.750 285 HD11 ILE 36 HD11 ILE 36 -12.282 -0.289 1.834 286 HD12 ILE 36 HD12 ILE 36 -10.827 0.605 1.410 287 HD13 ILE 36 HD13 ILE 36 -12.416 1.271 1.012 288 H GLU 37 HN GLU 37 -12.799 1.944 6.091 289 HA GLU 37 HA GLU 37 -15.310 2.739 5.159 290 HB2 GLU 37 HB2 GLU 37 -14.204 0.800 6.892 291 HB3 GLU 37 HB1 GLU 37 -15.474 1.637 7.772 292 HG2 GLU 37 HG2 GLU 37 -15.879 0.506 5.036 293 HG3 GLU 37 HG1 GLU 37 -16.143 -0.434 6.501 294 H HIS 38 HN HIS 38 -13.751 3.453 8.269 295 HA HIS 38 HA HIS 38 -15.778 5.520 8.658 296 HB2 HIS 38 HB2 HIS 38 -13.771 4.320 10.545 297 HB3 HIS 38 HB1 HIS 38 -14.718 5.742 10.970 298 HD1 HIS 38 HD1 HIS 38 -16.819 5.204 12.194 299 HD2 HIS 38 HD2 HIS 38 -15.598 2.069 9.762 300 HE1 HIS 38 HE1 HIS 38 -18.468 3.339 12.583 301 H ASN 39 HN ASN 39 -13.362 5.640 6.855 302 HA ASN 39 HA ASN 39 -12.532 8.334 7.662 303 HB2 ASN 39 HB2 ASN 39 -10.743 6.134 6.620 304 HB3 ASN 39 HB1 ASN 39 -10.308 7.830 6.544 305 HD21 ASN 39 HD21 ASN 39 -9.358 5.413 7.996 306 HD22 ASN 39 HD22 ASN 39 -9.187 5.929 9.646 307 H ARG 40 HN ARG 40 -13.956 9.252 6.279 308 HA ARG 40 HA ARG 40 -14.512 8.451 3.679 309 HB2 ARG 40 HB2 ARG 40 -15.952 10.056 4.753 310 HB3 ARG 40 HB1 ARG 40 -14.642 11.232 4.852 311 HG2 ARG 40 HG2 ARG 40 -14.523 11.216 2.369 312 HG3 ARG 40 HG1 ARG 40 -15.941 10.181 2.353 313 HD2 ARG 40 HD2 ARG 40 -17.299 11.890 3.263 314 HD3 ARG 40 HD1 ARG 40 -15.893 12.891 3.650 315 HE ARG 40 HE ARG 40 -15.745 12.440 0.954 316 HH11 ARG 40 HH11 ARG 40 -18.138 13.996 3.076 317 HH12 ARG 40 HH12 ARG 40 -18.652 15.066 1.864 318 HH21 ARG 40 HH21 ARG 40 -16.373 13.871 -0.592 319 HH22 ARG 40 HH22 ARG 40 -17.618 15.017 -0.305 320 H ALA 41 HN ALA 41 -12.124 10.803 4.819 321 HA ALA 41 HA ALA 41 -11.209 11.613 2.269 322 HB1 ALA 41 HB1 ALA 41 -10.737 12.862 4.332 323 HB2 ALA 41 HB2 ALA 41 -9.257 12.486 3.443 324 HB3 ALA 41 HB3 ALA 41 -9.688 11.553 4.877 325 H ALA 42 HN ALA 42 -10.589 8.754 4.055 326 HA ALA 42 HA ALA 42 -8.311 8.084 2.404 327 HB1 ALA 42 HB1 ALA 42 -9.748 6.388 4.445 328 HB2 ALA 42 HB2 ALA 42 -8.311 7.385 4.745 329 HB3 ALA 42 HB3 ALA 42 -8.226 6.028 3.620 330 H ALA 43 HN ALA 43 -11.646 6.970 2.904 331 HA ALA 43 HA ALA 43 -11.692 4.979 0.915 332 HB1 ALA 43 HB1 ALA 43 -14.119 5.132 1.049 333 HB2 ALA 43 HB2 ALA 43 -13.986 6.669 1.901 334 HB3 ALA 43 HB3 ALA 43 -13.406 5.190 2.664 335 H GLU 44 HN GLU 44 -12.544 8.365 0.806 336 HA GLU 44 HA GLU 44 -13.439 8.513 -1.842 337 HB2 GLU 44 HB2 GLU 44 -13.925 10.183 -0.142 338 HB3 GLU 44 HB1 GLU 44 -12.225 10.562 0.004 339 HG2 GLU 44 HG2 GLU 44 -12.151 11.617 -1.993 340 HG3 GLU 44 HG1 GLU 44 -13.713 10.973 -2.569 341 H PHE 45 HN PHE 45 -10.312 8.835 -0.366 342 HA PHE 45 HA PHE 45 -8.873 9.653 -2.646 343 HB2 PHE 45 HB2 PHE 45 -7.988 9.987 -0.421 344 HB3 PHE 45 HB1 PHE 45 -8.030 8.260 -0.104 345 HD1 PHE 45 HD1 PHE 45 -6.480 10.790 -2.315 346 HD2 PHE 45 HD2 PHE 45 -6.151 6.978 -0.460 347 HE1 PHE 45 HE1 PHE 45 -4.152 10.628 -3.083 348 HE2 PHE 45 HE2 PHE 45 -3.833 6.805 -1.228 349 HZ PHE 45 HZ PHE 45 -2.825 8.637 -2.540 350 H VAL 46 HN VAL 46 -9.026 6.464 -1.033 351 HA VAL 46 HA VAL 46 -7.628 5.115 -3.043 352 HB VAL 46 HB VAL 46 -7.737 4.118 -0.827 353 HG11 VAL 46 HG11 VAL 46 -9.887 4.857 -0.156 354 HG12 VAL 46 HG12 VAL 46 -9.708 3.090 -0.003 355 HG13 VAL 46 HG13 VAL 46 -10.638 3.773 -1.356 356 HG21 VAL 46 HG21 VAL 46 -9.291 2.346 -2.645 357 HG22 VAL 46 HG22 VAL 46 -8.267 1.853 -1.284 358 HG23 VAL 46 HG23 VAL 46 -7.545 2.587 -2.728 359 H GLY 47 HN GLY 47 -11.044 5.747 -2.705 360 HA2 GLY 47 HA2 GLY 47 -11.906 3.994 -4.752 361 HA3 GLY 47 HA1 GLY 47 -12.806 5.372 -4.125 362 H SER 48 HN SER 48 -10.573 7.211 -4.837 363 HA SER 48 HA SER 48 -11.439 7.631 -7.551 364 HB2 SER 48 HB2 SER 48 -9.609 9.280 -5.796 365 HB3 SER 48 HB1 SER 48 -10.256 9.770 -7.365 366 HG SER 48 HG SER 48 -11.629 9.307 -4.943 367 H VAL 49 HN VAL 49 -8.561 6.582 -5.885 368 HA VAL 49 HA VAL 49 -6.982 6.694 -8.343 369 HB VAL 49 HB VAL 49 -5.056 6.090 -6.941 370 HG11 VAL 49 HG11 VAL 49 -5.012 8.060 -5.495 371 HG12 VAL 49 HG12 VAL 49 -6.754 8.236 -5.725 372 HG13 VAL 49 HG13 VAL 49 -5.658 8.439 -7.101 373 HG21 VAL 49 HG21 VAL 49 -5.267 5.832 -4.520 374 HG22 VAL 49 HG22 VAL 49 -6.253 4.617 -5.349 375 HG23 VAL 49 HG23 VAL 49 -7.008 6.053 -4.660 376 H ASN 50 HN ASN 50 -9.179 4.713 -7.423 377 HA ASN 50 HA ASN 50 -7.748 2.200 -7.382 378 HB2 ASN 50 HB2 ASN 50 -10.257 3.053 -6.461 379 HB3 ASN 50 HB1 ASN 50 -10.593 1.887 -7.739 380 HD21 ASN 50 HD21 ASN 50 -7.884 1.948 -5.463 381 HD22 ASN 50 HD22 ASN 50 -8.310 0.439 -4.738 382 H GLY 51 HN GLY 51 -8.835 0.401 -8.801 383 HA2 GLY 51 HA2 GLY 51 -8.580 1.220 -11.558 384 HA3 GLY 51 HA1 GLY 51 -8.746 -0.416 -10.936 385 H GLY 52 HN GLY 52 -10.470 2.487 -11.758 386 HA2 GLY 52 HA2 GLY 52 -12.529 2.450 -12.930 387 HA3 GLY 52 HA1 GLY 52 -12.845 0.854 -12.251 388 H ASN 53 HN ASN 53 -13.120 0.800 -9.867 389 HA ASN 53 HA ASN 53 -14.100 3.240 -8.647 390 HB2 ASN 53 HB2 ASN 53 -16.218 2.329 -7.995 391 HB3 ASN 53 HB1 ASN 53 -16.100 2.166 -9.735 392 HD21 ASN 53 HD21 ASN 53 -17.676 0.803 -7.735 393 HD22 ASN 53 HD22 ASN 53 -17.385 -0.892 -7.952 394 H ARG 54 HN ARG 54 -14.676 2.661 -6.281 395 HA ARG 54 HA ARG 54 -12.400 1.472 -5.161 396 HB2 ARG 54 HB2 ARG 54 -13.425 1.705 -2.938 397 HB3 ARG 54 HB1 ARG 54 -13.655 3.161 -3.870 398 HG2 ARG 54 HG2 ARG 54 -15.795 1.065 -3.500 399 HG3 ARG 54 HG1 ARG 54 -15.594 2.445 -2.432 400 HD2 ARG 54 HD2 ARG 54 -16.183 2.566 -5.398 401 HD3 ARG 54 HD1 ARG 54 -17.354 2.812 -4.108 402 HE ARG 54 HE ARG 54 -15.644 4.678 -3.470 403 HH11 ARG 54 HH11 ARG 54 -16.963 3.897 -6.669 404 HH12 ARG 54 HH12 ARG 54 -16.716 5.438 -7.323 405 HH21 ARG 54 HH21 ARG 54 -15.360 6.824 -4.339 406 HH22 ARG 54 HH22 ARG 54 -15.782 7.177 -5.944 407 H THR 55 HN THR 55 -11.856 -0.499 -5.334 408 HA THR 55 HA THR 55 -13.634 -2.570 -4.395 409 HB THR 55 HB THR 55 -14.183 -2.545 -6.754 410 HG1 THR 55 HG1 THR 55 -13.779 -4.626 -5.590 411 HG21 THR 55 HG21 THR 55 -12.181 -1.504 -7.677 412 HG22 THR 55 HG22 THR 55 -12.499 -3.039 -8.495 413 HG23 THR 55 HG23 THR 55 -11.231 -2.934 -7.276 414 H VAL 56 HN VAL 56 -10.371 -1.563 -5.315 415 HA VAL 56 HA VAL 56 -9.388 -3.934 -3.923 416 HB VAL 56 HB VAL 56 -7.296 -3.679 -5.299 417 HG11 VAL 56 HG11 VAL 56 -9.853 -4.423 -6.751 418 HG12 VAL 56 HG12 VAL 56 -8.954 -5.456 -5.647 419 HG13 VAL 56 HG13 VAL 56 -8.229 -4.974 -7.175 420 HG21 VAL 56 HG21 VAL 56 -9.111 -2.012 -7.043 421 HG22 VAL 56 HG22 VAL 56 -7.517 -2.606 -7.506 422 HG23 VAL 56 HG23 VAL 56 -7.677 -1.446 -6.190 423 HA PRO 57 HA PRO 57 -7.025 -1.556 -1.046 424 HB2 PRO 57 HB2 PRO 57 -4.674 -3.042 -1.144 425 HB3 PRO 57 HB1 PRO 57 -6.059 -3.454 -0.140 426 HG2 PRO 57 HG2 PRO 57 -5.275 -4.508 -2.812 427 HG3 PRO 57 HG1 PRO 57 -5.939 -5.375 -1.417 428 HD2 PRO 57 HD2 PRO 57 -7.485 -4.772 -3.489 429 HD3 PRO 57 HD1 PRO 57 -8.104 -4.624 -1.829 430 H THR 58 HN THR 58 -5.741 0.185 -1.228 431 HA THR 58 HA THR 58 -3.830 0.279 -3.451 432 HB THR 58 HB THR 58 -5.360 2.688 -2.379 433 HG1 THR 58 HG1 THR 58 -6.293 0.746 -3.757 434 HG21 THR 58 HG21 THR 58 -4.594 3.769 -4.414 435 HG22 THR 58 HG22 THR 58 -3.801 2.295 -4.945 436 HG23 THR 58 HG23 THR 58 -3.197 3.163 -3.518 437 H VAL 59 HN VAL 59 -1.926 1.335 -2.991 438 HA VAL 59 HA VAL 59 -1.492 1.726 -0.142 439 HB VAL 59 HB VAL 59 -0.633 -0.412 -0.974 440 HG11 VAL 59 HG11 VAL 59 -0.127 0.105 -3.243 441 HG12 VAL 59 HG12 VAL 59 1.317 -0.513 -2.431 442 HG13 VAL 59 HG13 VAL 59 1.147 1.218 -2.742 443 HG21 VAL 59 HG21 VAL 59 1.446 1.554 -0.203 444 HG22 VAL 59 HG22 VAL 59 1.555 -0.228 -0.107 445 HG23 VAL 59 HG23 VAL 59 0.363 0.651 0.879 446 H LYS 60 HN LYS 60 -0.639 3.579 0.398 447 HA LYS 60 HA LYS 60 0.365 5.395 -1.713 448 HB2 LYS 60 HB2 LYS 60 -1.660 6.124 -0.384 449 HB3 LYS 60 HB1 LYS 60 -0.651 6.071 1.043 450 HG2 LYS 60 HG2 LYS 60 0.808 7.809 0.061 451 HG3 LYS 60 HG1 LYS 60 -0.272 7.896 -1.330 452 HD2 LYS 60 HD2 LYS 60 -0.821 9.695 0.182 453 HD3 LYS 60 HD1 LYS 60 -2.125 8.509 0.230 454 HE2 LYS 60 HE2 LYS 60 -1.134 7.559 2.299 455 HE3 LYS 60 HE1 LYS 60 0.113 8.803 2.218 456 HZ1 LYS 60 HZ1 LYS 60 -1.581 10.483 2.512 457 HZ2 LYS 60 HZ2 LYS 60 -1.651 9.358 3.762 458 HZ3 LYS 60 HZ3 LYS 60 -2.800 9.305 2.536 459 H PHE 61 HN PHE 61 2.441 5.964 -1.576 460 HA PHE 61 HA PHE 61 3.960 5.020 0.724 461 HB2 PHE 61 HB2 PHE 61 4.808 6.017 -1.979 462 HB3 PHE 61 HB1 PHE 61 5.934 5.613 -0.688 463 HD1 PHE 61 HD2 PHE 61 3.422 4.270 -3.006 464 HD2 PHE 61 HD1 PHE 61 6.423 3.379 -0.127 465 HE1 PHE 61 HE2 PHE 61 3.375 1.931 -3.690 466 HE2 PHE 61 HE1 PHE 61 6.385 1.024 -0.824 467 HZ PHE 61 HZ PHE 61 4.857 0.306 -2.607 468 H ALA 62 HN ALA 62 5.749 6.394 1.482 469 HA ALA 62 HA ALA 62 4.793 8.771 2.591 470 HB1 ALA 62 HB1 ALA 62 6.484 7.363 3.630 471 HB2 ALA 62 HB2 ALA 62 7.036 9.035 3.481 472 HB3 ALA 62 HB3 ALA 62 7.628 7.808 2.364 473 H ASP 63 HN ASP 63 6.254 8.265 -0.488 474 HA ASP 63 HA ASP 63 7.063 11.041 -0.705 475 HB2 ASP 63 HB2 ASP 63 7.873 10.540 -2.930 476 HB3 ASP 63 HB1 ASP 63 8.412 9.268 -1.851 477 H GLY 64 HN GLY 64 4.227 9.411 -0.858 478 HA2 GLY 64 HA2 GLY 64 2.181 10.435 -1.167 479 HA3 GLY 64 HA1 GLY 64 2.969 11.703 -2.093 480 H SER 65 HN SER 65 3.716 8.469 -3.048 481 HA SER 65 HA SER 65 1.869 8.830 -5.269 482 HB2 SER 65 HB2 SER 65 3.372 7.205 -6.484 483 HB3 SER 65 HB1 SER 65 4.124 8.744 -6.071 484 HG SER 65 HG SER 65 5.345 7.809 -4.604 485 H THR 66 HN THR 66 0.617 7.050 -6.010 486 HA THR 66 HA THR 66 0.236 4.969 -3.995 487 HB THR 66 HB THR 66 -2.018 4.811 -5.238 488 HG1 THR 66 HG1 THR 66 -2.173 7.458 -5.704 489 HG21 THR 66 HG21 THR 66 -1.870 5.461 -2.949 490 HG22 THR 66 HG22 THR 66 -3.011 6.525 -3.765 491 HG23 THR 66 HG23 THR 66 -1.376 7.101 -3.386 492 H LEU 67 HN LEU 67 -0.162 2.907 -4.742 493 HA LEU 67 HA LEU 67 -0.039 2.468 -7.627 494 HB2 LEU 67 HB2 LEU 67 1.254 0.728 -5.510 495 HB3 LEU 67 HB1 LEU 67 1.035 0.254 -7.177 496 HG LEU 67 HG LEU 67 2.872 2.402 -6.117 497 HD11 LEU 67 HD11 LEU 67 3.638 0.105 -5.743 498 HD12 LEU 67 HD12 LEU 67 4.621 0.911 -6.966 499 HD13 LEU 67 HD13 LEU 67 3.393 -0.248 -7.451 500 HD21 LEU 67 HD21 LEU 67 2.364 1.513 -8.960 501 HD22 LEU 67 HD22 LEU 67 3.660 2.583 -8.445 502 HD23 LEU 67 HD23 LEU 67 1.987 3.101 -8.287 503 H THR 68 HN THR 68 -1.798 1.480 -8.303 504 HA THR 68 HA THR 68 -3.806 0.565 -6.539 505 HB THR 68 HB THR 68 -3.456 -0.135 -9.470 506 HG1 THR 68 HG1 THR 68 -3.890 2.322 -8.212 507 HG21 THR 68 HG21 THR 68 -5.899 0.382 -7.753 508 HG22 THR 68 HG22 THR 68 -5.340 -1.204 -8.284 509 HG23 THR 68 HG23 THR 68 -5.919 -0.034 -9.467 510 H ASN 69 HN ASN 69 -4.183 -1.554 -5.851 511 HA ASN 69 HA ASN 69 -2.662 -3.127 -4.732 512 HB2 ASN 69 HB2 ASN 69 -4.874 -3.862 -4.954 513 HB3 ASN 69 HB1 ASN 69 -4.645 -4.332 -6.648 514 HD21 ASN 69 HD21 ASN 69 -3.819 -6.328 -7.069 515 HD22 ASN 69 HD22 ASN 69 -3.355 -7.476 -5.864 516 HA PRO 70 HA PRO 70 0.666 -4.605 -7.381 517 HB2 PRO 70 HB2 PRO 70 2.577 -3.530 -5.797 518 HB3 PRO 70 HB1 PRO 70 1.790 -2.640 -7.102 519 HG2 PRO 70 HG2 PRO 70 1.606 -2.139 -4.268 520 HG3 PRO 70 HG1 PRO 70 0.842 -1.257 -5.593 521 HD2 PRO 70 HD2 PRO 70 -0.290 -3.357 -3.838 522 HD3 PRO 70 HD1 PRO 70 -1.081 -2.048 -4.746 523 H SER 71 HN SER 71 2.547 -5.891 -6.796 524 HA SER 71 HA SER 71 1.964 -7.635 -4.562 525 HB2 SER 71 HB2 SER 71 3.973 -7.881 -6.797 526 HB3 SER 71 HB1 SER 71 3.465 -9.176 -5.696 527 HG SER 71 HG SER 71 2.124 -7.896 -7.782 528 H ALA 72 HN ALA 72 4.003 -8.464 -3.441 529 HA ALA 72 HA ALA 72 5.101 -6.436 -1.857 530 HB1 ALA 72 HB1 ALA 72 6.152 -9.219 -2.227 531 HB2 ALA 72 HB2 ALA 72 4.824 -8.743 -1.153 532 HB3 ALA 72 HB3 ALA 72 6.450 -8.135 -0.868 533 H ASP 73 HN ASP 73 6.711 -7.967 -4.667 534 HA ASP 73 HA ASP 73 9.059 -6.493 -3.892 535 HB2 ASP 73 HB2 ASP 73 9.345 -8.720 -4.954 536 HB3 ASP 73 HB1 ASP 73 8.670 -8.073 -6.446 537 H GLU 74 HN GLU 74 6.440 -6.036 -6.034 538 HA GLU 74 HA GLU 74 7.494 -4.005 -7.684 539 HB2 GLU 74 HB2 GLU 74 4.654 -4.334 -6.705 540 HB3 GLU 74 HB1 GLU 74 5.162 -3.347 -8.067 541 HG2 GLU 74 HG2 GLU 74 5.941 -5.366 -9.211 542 HG3 GLU 74 HG1 GLU 74 5.366 -6.337 -7.855 543 H VAL 75 HN VAL 75 5.910 -3.931 -4.558 544 HA VAL 75 HA VAL 75 6.137 -1.095 -4.373 545 HB VAL 75 HB VAL 75 5.401 -1.444 -1.936 546 HG11 VAL 75 HG11 VAL 75 3.100 -1.914 -2.594 547 HG12 VAL 75 HG12 VAL 75 3.674 -2.604 -4.107 548 HG13 VAL 75 HG13 VAL 75 3.848 -0.874 -3.818 549 HG21 VAL 75 HG21 VAL 75 6.120 -3.806 -1.786 550 HG22 VAL 75 HG22 VAL 75 4.840 -4.192 -2.966 551 HG23 VAL 75 HG23 VAL 75 4.414 -3.550 -1.391 552 H LYS 76 HN LYS 76 8.048 -3.792 -3.304 553 HA LYS 76 HA LYS 76 9.792 -2.536 -1.515 554 HB2 LYS 76 HB2 LYS 76 10.140 -4.825 -3.421 555 HB3 LYS 76 HB1 LYS 76 11.508 -4.217 -2.501 556 HG2 LYS 76 HG2 LYS 76 10.429 -4.776 -0.439 557 HG3 LYS 76 HG1 LYS 76 8.945 -5.184 -1.289 558 HD2 LYS 76 HD2 LYS 76 10.132 -7.211 -0.601 559 HD3 LYS 76 HD1 LYS 76 10.066 -7.118 -2.344 560 HE2 LYS 76 HE2 LYS 76 12.474 -6.266 -0.725 561 HE3 LYS 76 HE1 LYS 76 12.252 -7.905 -1.306 562 HZ1 LYS 76 HZ1 LYS 76 12.204 -6.921 -3.627 563 HZ2 LYS 76 HZ2 LYS 76 13.651 -6.805 -2.784 564 HZ3 LYS 76 HZ3 LYS 76 12.696 -5.446 -2.932 565 H ALA 77 HN ALA 77 9.834 -2.661 -5.025 566 HA ALA 77 HA ALA 77 12.292 -1.511 -5.553 567 HB1 ALA 77 HB1 ALA 77 11.407 -0.953 -7.740 568 HB2 ALA 77 HB2 ALA 77 9.758 -1.157 -7.148 569 HB3 ALA 77 HB3 ALA 77 10.832 -2.546 -7.249 570 H LYS 78 HN LYS 78 9.286 0.050 -4.715 571 HA LYS 78 HA LYS 78 10.378 2.684 -5.154 572 HB2 LYS 78 HB2 LYS 78 7.748 1.745 -4.059 573 HB3 LYS 78 HB1 LYS 78 8.206 3.445 -4.093 574 HG2 LYS 78 HG2 LYS 78 8.360 3.422 -6.483 575 HG3 LYS 78 HG1 LYS 78 8.142 1.674 -6.519 576 HD2 LYS 78 HD2 LYS 78 6.074 2.742 -7.135 577 HD3 LYS 78 HD1 LYS 78 5.922 1.961 -5.557 578 HE2 LYS 78 HE2 LYS 78 4.800 4.109 -5.557 579 HE3 LYS 78 HE1 LYS 78 6.192 4.148 -4.471 580 HZ1 LYS 78 HZ1 LYS 78 7.406 5.383 -6.140 581 HZ2 LYS 78 HZ2 LYS 78 5.940 6.136 -5.811 582 HZ3 LYS 78 HZ3 LYS 78 6.119 5.261 -7.229 583 H LEU 79 HN LEU 79 9.341 0.751 -2.405 584 HA LEU 79 HA LEU 79 9.737 2.593 -0.368 585 HB2 LEU 79 HB2 LEU 79 8.438 0.549 -0.141 586 HB3 LEU 79 HB1 LEU 79 9.893 -0.411 -0.274 587 HG LEU 79 HG LEU 79 10.692 0.505 1.855 588 HD11 LEU 79 HD11 LEU 79 9.573 2.675 1.821 589 HD12 LEU 79 HD12 LEU 79 9.164 1.791 3.289 590 HD13 LEU 79 HD13 LEU 79 8.004 1.883 1.964 591 HD21 LEU 79 HD21 LEU 79 7.928 -0.688 1.971 592 HD22 LEU 79 HD22 LEU 79 9.094 -0.658 3.293 593 HD23 LEU 79 HD23 LEU 79 9.446 -1.572 1.828 594 H VAL 80 HN VAL 80 12.062 0.343 -1.801 595 HA VAL 80 HA VAL 80 14.071 0.668 0.167 596 HB VAL 80 HB VAL 80 13.948 -1.200 -1.507 597 HG11 VAL 80 HG11 VAL 80 15.005 -0.958 -3.697 598 HG12 VAL 80 HG12 VAL 80 15.082 0.788 -3.448 599 HG13 VAL 80 HG13 VAL 80 13.519 -0.023 -3.536 600 HG21 VAL 80 HG21 VAL 80 16.408 -1.431 -1.795 601 HG22 VAL 80 HG22 VAL 80 15.899 -0.997 -0.170 602 HG23 VAL 80 HG23 VAL 80 16.589 0.232 -1.227 603 H LYS 81 HN LYS 81 13.236 2.572 -2.631 604 HA LYS 81 HA LYS 81 15.651 4.143 -2.525 605 HB2 LYS 81 HB2 LYS 81 13.092 4.578 -4.072 606 HB3 LYS 81 HB1 LYS 81 14.542 5.548 -4.242 607 HG2 LYS 81 HG2 LYS 81 15.754 3.549 -5.022 608 HG3 LYS 81 HG1 LYS 81 14.253 2.627 -4.909 609 HD2 LYS 81 HD2 LYS 81 13.203 4.192 -6.518 610 HD3 LYS 81 HD1 LYS 81 14.728 5.052 -6.637 611 HE2 LYS 81 HE2 LYS 81 14.333 2.154 -7.353 612 HE3 LYS 81 HE1 LYS 81 14.350 3.476 -8.512 613 HZ1 LYS 81 HZ1 LYS 81 16.486 2.483 -8.474 614 HZ2 LYS 81 HZ2 LYS 81 16.562 2.472 -6.826 615 HZ3 LYS 81 HZ3 LYS 81 16.679 3.951 -7.661 616 H ILE 82 HN ILE 82 12.259 4.536 -1.669 617 HA ILE 82 HA ILE 82 12.224 7.214 -0.860 618 HB ILE 82 HB ILE 82 10.656 4.945 0.390 619 HG12 ILE 82 HG12 ILE 82 9.869 6.764 -1.888 620 HG13 ILE 82 HG11 ILE 82 10.415 5.100 -2.078 621 HG21 ILE 82 HG21 ILE 82 9.009 6.686 0.970 622 HG22 ILE 82 HG22 ILE 82 10.094 7.919 0.324 623 HG23 ILE 82 HG23 ILE 82 10.571 6.979 1.739 624 HD11 ILE 82 HD11 ILE 82 7.983 6.000 -0.582 625 HD12 ILE 82 HD12 ILE 82 8.513 4.329 -0.769 626 HD13 ILE 82 HD13 ILE 82 7.995 5.255 -2.178 627 H ALA 83 HN ALA 83 12.677 4.320 1.135 628 HA ALA 83 HA ALA 83 13.201 5.769 3.509 629 HB1 ALA 83 HB1 ALA 83 13.839 2.913 2.803 630 HB2 ALA 83 HB2 ALA 83 12.358 3.498 3.583 631 HB3 ALA 83 HB3 ALA 83 13.901 3.602 4.424 632 H GLY 84 HN GLY 84 15.168 4.524 0.923 633 HA2 GLY 84 HA2 GLY 84 17.280 5.205 0.330 634 HA3 GLY 84 HA1 GLY 84 17.379 6.126 1.829 635 H LEU 85 HN LEU 85 16.472 2.804 1.755 636 HA LEU 85 HA LEU 85 18.782 2.113 3.392 637 HB2 LEU 85 HB2 LEU 85 16.546 0.350 2.391 638 HB3 LEU 85 HB1 LEU 85 17.693 -0.020 3.660 639 HG LEU 85 HG LEU 85 15.530 2.064 3.805 640 HD11 LEU 85 HD11 LEU 85 14.697 -0.211 3.683 641 HD12 LEU 85 HD12 LEU 85 14.414 0.484 5.284 642 HD13 LEU 85 HD13 LEU 85 15.724 -0.678 5.037 643 HD21 LEU 85 HD21 LEU 85 16.095 2.115 6.201 644 HD22 LEU 85 HD22 LEU 85 17.454 2.621 5.199 645 HD23 LEU 85 HD23 LEU 85 17.434 1.004 5.901 646 H GLU 86 HN GLU 86 20.574 1.341 2.423 647 HA GLU 86 HA GLU 86 21.998 0.506 0.898 648 HB2 GLU 86 HB2 GLU 86 19.540 -0.943 -0.098 649 HB3 GLU 86 HB1 GLU 86 21.188 -1.330 -0.587 650 HG2 GLU 86 HG2 GLU 86 21.723 -1.951 1.702 651 HG3 GLU 86 HG1 GLU 86 20.090 -1.519 2.210 652 H HIS 87 HN HIS 87 21.907 0.053 -1.790 653 HA HIS 87 HA HIS 87 20.609 2.411 -2.918 654 HB2 HIS 87 HB2 HIS 87 23.429 1.473 -3.465 655 HB3 HIS 87 HB1 HIS 87 22.588 2.657 -4.456 656 HD1 HIS 87 HD1 HIS 87 24.841 2.442 -1.651 657 HD2 HIS 87 HD2 HIS 87 21.792 5.006 -2.832 658 HE1 HIS 87 HE1 HIS 87 25.204 4.589 -0.389 659 H HIS 88 HN HIS 88 19.011 1.434 -3.948 660 HA HIS 88 HA HIS 88 19.791 -0.435 -6.035 661 HB2 HIS 88 HB2 HIS 88 17.392 -0.705 -4.191 662 HB3 HIS 88 HB1 HIS 88 17.590 -1.628 -5.675 663 HD1 HIS 88 HD1 HIS 88 18.751 -1.474 -2.122 664 HD2 HIS 88 HD2 HIS 88 19.578 -3.626 -5.582 665 HE1 HIS 88 HE1 HIS 88 20.129 -3.465 -1.400 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 16.351 7.221 6.746 2 H2 MET 1 HT2 MET 1 16.046 6.322 5.351 3 H3 MET 1 HT3 MET 1 17.116 5.734 6.510 4 HA MET 1 HA MET 1 14.974 4.620 6.598 5 HB2 MET 1 HB2 MET 1 16.360 4.832 8.642 6 HB3 MET 1 HB1 MET 1 15.604 6.377 8.993 7 HG2 MET 1 HG2 MET 1 13.457 5.258 9.300 8 HG3 MET 1 HG1 MET 1 14.213 3.710 8.920 9 HE1 MET 1 HE1 MET 1 12.494 4.272 11.554 10 HE2 MET 1 HE2 MET 1 13.478 3.431 12.752 11 HE3 MET 1 HE3 MET 1 13.219 2.714 11.164 12 H VAL 2 HN VAL 2 12.687 4.775 6.858 13 HA VAL 2 HA VAL 2 11.668 7.514 6.793 14 HB VAL 2 HB VAL 2 11.601 6.423 4.522 15 HG11 VAL 2 HG11 VAL 2 11.225 4.135 5.119 16 HG12 VAL 2 HG12 VAL 2 9.927 4.697 4.063 17 HG13 VAL 2 HG13 VAL 2 9.647 4.537 5.798 18 HG21 VAL 2 HG21 VAL 2 10.085 8.231 5.046 19 HG22 VAL 2 HG22 VAL 2 8.936 7.095 5.752 20 HG23 VAL 2 HG23 VAL 2 9.280 7.044 4.023 21 H THR 3 HN THR 3 10.182 8.083 7.987 22 HA THR 3 HA THR 3 9.599 6.643 10.286 23 HB THR 3 HB THR 3 7.971 8.962 9.398 24 HG1 THR 3 HG1 THR 3 10.797 8.950 9.894 25 HG21 THR 3 HG21 THR 3 8.543 9.684 11.641 26 HG22 THR 3 HG22 THR 3 9.692 8.342 11.752 27 HG23 THR 3 HG23 THR 3 7.952 8.005 11.689 28 H ALA 4 HN ALA 4 7.653 7.507 7.430 29 HA ALA 4 HA ALA 4 5.710 5.460 8.197 30 HB1 ALA 4 HB1 ALA 4 4.694 7.695 8.312 31 HB2 ALA 4 HB2 ALA 4 4.031 6.790 6.951 32 HB3 ALA 4 HB3 ALA 4 5.244 8.038 6.671 33 H ALA 5 HN ALA 5 5.922 3.811 6.889 34 HA ALA 5 HA ALA 5 7.572 4.060 4.556 35 HB1 ALA 5 HB1 ALA 5 7.347 1.611 4.453 36 HB2 ALA 5 HB2 ALA 5 6.186 1.682 5.784 37 HB3 ALA 5 HB3 ALA 5 7.850 2.187 6.039 38 H LEU 6 HN LEU 6 4.334 2.649 5.059 39 HA LEU 6 HA LEU 6 3.385 3.890 2.661 40 HB2 LEU 6 HB2 LEU 6 2.679 1.816 1.554 41 HB3 LEU 6 HB1 LEU 6 4.415 1.936 1.665 42 HG LEU 6 HG LEU 6 2.844 0.239 3.622 43 HD11 LEU 6 HD11 LEU 6 3.454 -1.678 2.183 44 HD12 LEU 6 HD12 LEU 6 3.870 -0.513 0.907 45 HD13 LEU 6 HD13 LEU 6 2.217 -0.621 1.523 46 HD21 LEU 6 HD21 LEU 6 5.677 0.127 2.613 47 HD22 LEU 6 HD22 LEU 6 4.954 -0.960 3.798 48 HD23 LEU 6 HD23 LEU 6 5.159 0.753 4.176 49 H THR 7 HN THR 7 1.253 4.143 2.655 50 HA THR 7 HA THR 7 -0.223 3.140 4.973 51 HB THR 7 HB THR 7 -0.885 5.450 3.127 52 HG1 THR 7 HG1 THR 7 -0.039 5.749 5.812 53 HG21 THR 7 HG21 THR 7 -2.823 4.438 4.251 54 HG22 THR 7 HG22 THR 7 -2.496 6.050 4.876 55 HG23 THR 7 HG23 THR 7 -2.021 4.629 5.810 56 H ILE 8 HN ILE 8 -1.720 1.698 4.601 57 HA ILE 8 HA ILE 8 -2.403 1.016 1.839 58 HB ILE 8 HB ILE 8 -2.457 -0.596 4.380 59 HG12 ILE 8 HG12 ILE 8 -0.763 -0.912 1.915 60 HG13 ILE 8 HG11 ILE 8 -0.219 -0.166 3.418 61 HG21 ILE 8 HG21 ILE 8 -2.959 -2.509 2.861 62 HG22 ILE 8 HG22 ILE 8 -3.389 -1.297 1.630 63 HG23 ILE 8 HG23 ILE 8 -4.225 -1.330 3.198 64 HD11 ILE 8 HD11 ILE 8 0.543 -2.439 3.242 65 HD12 ILE 8 HD12 ILE 8 -1.118 -3.009 3.051 66 HD13 ILE 8 HD13 ILE 8 -0.599 -2.284 4.573 67 H TYR 9 HN TYR 9 -4.437 1.113 1.148 68 HA TYR 9 HA TYR 9 -6.628 1.711 3.038 69 HB2 TYR 9 HB2 TYR 9 -6.323 2.410 0.108 70 HB3 TYR 9 HB1 TYR 9 -7.690 2.843 1.136 71 HD1 TYR 9 HD2 TYR 9 -7.063 4.221 3.265 72 HD2 TYR 9 HD1 TYR 9 -4.613 3.887 -0.182 73 HE1 TYR 9 HE2 TYR 9 -5.895 6.247 3.931 74 HE2 TYR 9 HE1 TYR 9 -3.419 5.909 0.450 75 HH TYR 9 HH TYR 9 -3.653 7.293 3.532 76 H THR 10 HN THR 10 -7.948 -0.005 3.337 77 HA THR 10 HA THR 10 -8.356 -1.800 1.043 78 HB THR 10 HB THR 10 -8.513 -3.657 2.685 79 HG1 THR 10 HG1 THR 10 -8.535 -3.178 4.683 80 HG21 THR 10 HG21 THR 10 -6.446 -3.481 1.478 81 HG22 THR 10 HG22 THR 10 -6.039 -3.816 3.162 82 HG23 THR 10 HG23 THR 10 -5.899 -2.177 2.521 83 H THR 11 HN THR 11 -10.362 -2.918 0.986 84 HA THR 11 HA THR 11 -12.570 -1.817 2.584 85 HB THR 11 HB THR 11 -13.943 -3.126 0.944 86 HG1 THR 11 HG1 THR 11 -12.516 -3.509 -1.053 87 HG21 THR 11 HG21 THR 11 -13.508 -0.722 0.556 88 HG22 THR 11 HG22 THR 11 -13.686 -1.633 -0.941 89 HG23 THR 11 HG23 THR 11 -12.076 -1.165 -0.389 90 H SER 12 HN SER 12 -14.104 -3.407 3.373 91 HA SER 12 HA SER 12 -12.718 -5.495 4.755 92 HB2 SER 12 HB2 SER 12 -15.666 -4.927 4.558 93 HB3 SER 12 HB1 SER 12 -14.846 -5.848 5.826 94 HG SER 12 HG SER 12 -13.713 -3.919 6.356 95 H TRP 13 HN TRP 13 -14.401 -5.221 1.799 96 HA TRP 13 HA TRP 13 -15.110 -8.048 1.726 97 HB2 TRP 13 HB2 TRP 13 -16.552 -7.323 -0.247 98 HB3 TRP 13 HB1 TRP 13 -17.020 -6.787 1.360 99 HD1 TRP 13 HD1 TRP 13 -16.533 -4.168 1.949 100 HE1 TRP 13 HE1 TRP 13 -16.425 -2.120 0.462 101 HE3 TRP 13 HE3 TRP 13 -15.918 -6.515 -2.544 102 HZ2 TRP 13 HZ2 TRP 13 -16.142 -1.542 -2.314 103 HZ3 TRP 13 HZ3 TRP 13 -15.745 -5.138 -4.575 104 HH2 TRP 13 HH2 TRP 13 -15.861 -2.704 -4.462 105 H CYS 14 HN CYS 14 -12.630 -6.136 0.431 106 HA CYS 14 HA CYS 14 -12.509 -7.652 -2.024 107 HB2 CYS 14 HB2 CYS 14 -11.780 -5.329 -2.109 108 HB3 CYS 14 HB1 CYS 14 -10.586 -5.625 -0.855 109 HG CYS 14 HG CYS 14 -10.583 -6.637 -4.076 110 H GLY 15 HN GLY 15 -11.065 -9.233 -2.522 111 HA2 GLY 15 HA2 GLY 15 -10.081 -10.778 -0.304 112 HA3 GLY 15 HA1 GLY 15 -10.034 -11.230 -2.000 113 H TYR 16 HN TYR 16 -8.718 -8.488 -2.482 114 HA TYR 16 HA TYR 16 -6.070 -9.544 -2.125 115 HB2 TYR 16 HB2 TYR 16 -7.026 -7.029 -3.453 116 HB3 TYR 16 HB1 TYR 16 -5.311 -7.366 -3.229 117 HD1 TYR 16 HD2 TYR 16 -4.958 -10.102 -3.877 118 HD2 TYR 16 HD1 TYR 16 -7.624 -7.305 -5.640 119 HE1 TYR 16 HE2 TYR 16 -4.954 -11.417 -5.943 120 HE2 TYR 16 HE1 TYR 16 -7.639 -8.616 -7.711 121 HH TYR 16 HH TYR 16 -6.112 -10.238 -8.844 122 H CYS 17 HN CYS 17 -8.089 -7.609 -0.297 123 HA CYS 17 HA CYS 17 -6.331 -5.816 0.922 124 HB2 CYS 17 HB2 CYS 17 -8.739 -7.201 2.087 125 HB3 CYS 17 HB1 CYS 17 -7.939 -5.798 2.783 126 HG CYS 17 HG CYS 17 -10.300 -5.035 1.611 127 H LEU 18 HN LEU 18 -7.408 -8.973 2.167 128 HA LEU 18 HA LEU 18 -5.427 -8.910 4.214 129 HB2 LEU 18 HB2 LEU 18 -6.237 -11.038 4.963 130 HB3 LEU 18 HB1 LEU 18 -7.608 -10.045 4.553 131 HG LEU 18 HG LEU 18 -6.545 -12.284 2.820 132 HD11 LEU 18 HD11 LEU 18 -8.899 -12.219 4.690 133 HD12 LEU 18 HD12 LEU 18 -7.403 -13.132 4.911 134 HD13 LEU 18 HD13 LEU 18 -8.493 -13.533 3.584 135 HD21 LEU 18 HD21 LEU 18 -9.090 -10.663 2.661 136 HD22 LEU 18 HD22 LEU 18 -8.726 -12.102 1.704 137 HD23 LEU 18 HD23 LEU 18 -7.740 -10.656 1.517 138 H ARG 19 HN ARG 19 -5.600 -10.115 1.010 139 HA ARG 19 HA ARG 19 -3.547 -11.988 1.159 140 HB2 ARG 19 HB2 ARG 19 -5.089 -11.941 -0.729 141 HB3 ARG 19 HB1 ARG 19 -4.494 -10.352 -1.186 142 HG2 ARG 19 HG2 ARG 19 -3.654 -12.155 -2.617 143 HG3 ARG 19 HG1 ARG 19 -2.367 -11.255 -1.820 144 HD2 ARG 19 HD2 ARG 19 -1.902 -13.660 -1.755 145 HD3 ARG 19 HD1 ARG 19 -2.154 -13.029 -0.132 146 HE ARG 19 HE ARG 19 -4.244 -14.425 -1.648 147 HH11 ARG 19 HH11 ARG 19 -2.535 -13.917 1.471 148 HH12 ARG 19 HH12 ARG 19 -3.285 -15.224 2.235 149 HH21 ARG 19 HH21 ARG 19 -5.264 -16.247 -0.511 150 HH22 ARG 19 HH22 ARG 19 -4.885 -16.545 1.105 151 H LEU 20 HN LEU 20 -3.597 -8.546 0.381 152 HA LEU 20 HA LEU 20 -0.900 -8.191 -0.218 153 HB2 LEU 20 HB2 LEU 20 -2.606 -6.573 -0.802 154 HB3 LEU 20 HB1 LEU 20 -2.983 -6.299 0.880 155 HG LEU 20 HG LEU 20 -0.820 -5.265 1.207 156 HD11 LEU 20 HD11 LEU 20 0.566 -4.644 -0.766 157 HD12 LEU 20 HD12 LEU 20 -0.461 -5.663 -1.776 158 HD13 LEU 20 HD13 LEU 20 0.513 -6.383 -0.495 159 HD21 LEU 20 HD21 LEU 20 -2.718 -3.873 0.665 160 HD22 LEU 20 HD22 LEU 20 -2.420 -4.090 -1.057 161 HD23 LEU 20 HD23 LEU 20 -1.259 -3.205 -0.069 162 H LYS 21 HN LYS 21 -2.675 -8.092 2.817 163 HA LYS 21 HA LYS 21 -0.646 -7.169 4.537 164 HB2 LYS 21 HB2 LYS 21 -2.803 -9.191 5.209 165 HB3 LYS 21 HB1 LYS 21 -1.876 -8.253 6.368 166 HG2 LYS 21 HG2 LYS 21 -3.850 -7.168 4.365 167 HG3 LYS 21 HG1 LYS 21 -4.130 -7.381 6.091 168 HD2 LYS 21 HD2 LYS 21 -2.332 -5.750 6.555 169 HD3 LYS 21 HD1 LYS 21 -2.097 -5.547 4.822 170 HE2 LYS 21 HE2 LYS 21 -3.469 -3.748 5.704 171 HE3 LYS 21 HE1 LYS 21 -4.402 -4.766 4.591 172 HZ1 LYS 21 HZ1 LYS 21 -5.366 -5.854 6.605 173 HZ2 LYS 21 HZ2 LYS 21 -5.698 -4.216 6.477 174 HZ3 LYS 21 HZ3 LYS 21 -4.544 -4.712 7.559 175 H THR 22 HN THR 22 -1.486 -10.464 3.528 176 HA THR 22 HA THR 22 0.341 -11.922 5.018 177 HB THR 22 HB THR 22 -0.638 -12.503 2.210 178 HG1 THR 22 HG1 THR 22 -1.774 -13.182 4.722 179 HG21 THR 22 HG21 THR 22 0.267 -14.350 4.424 180 HG22 THR 22 HG22 THR 22 1.174 -13.988 2.956 181 HG23 THR 22 HG23 THR 22 -0.357 -14.861 2.856 182 H ALA 23 HN ALA 23 0.650 -10.541 1.764 183 HA ALA 23 HA ALA 23 3.185 -11.605 1.191 184 HB1 ALA 23 HB1 ALA 23 1.613 -10.831 -0.523 185 HB2 ALA 23 HB2 ALA 23 3.196 -10.082 -0.713 186 HB3 ALA 23 HB3 ALA 23 1.863 -9.169 -0.000 187 H LEU 24 HN LEU 24 2.213 -8.474 2.514 188 HA LEU 24 HA LEU 24 4.878 -7.453 2.528 189 HB2 LEU 24 HB2 LEU 24 2.539 -6.561 4.175 190 HB3 LEU 24 HB1 LEU 24 4.020 -5.664 3.981 191 HG LEU 24 HG LEU 24 1.842 -6.136 1.965 192 HD11 LEU 24 HD11 LEU 24 3.022 -3.708 3.264 193 HD12 LEU 24 HD12 LEU 24 1.429 -4.388 3.567 194 HD13 LEU 24 HD13 LEU 24 1.815 -3.660 1.994 195 HD21 LEU 24 HD21 LEU 24 3.148 -4.717 0.431 196 HD22 LEU 24 HD22 LEU 24 3.873 -6.277 0.675 197 HD23 LEU 24 HD23 LEU 24 4.541 -4.846 1.493 198 H THR 25 HN THR 25 2.917 -9.019 4.963 199 HA THR 25 HA THR 25 4.743 -8.628 7.061 200 HB THR 25 HB THR 25 2.667 -10.809 6.707 201 HG1 THR 25 HG1 THR 25 1.638 -8.868 6.611 202 HG21 THR 25 HG21 THR 25 2.670 -10.908 9.171 203 HG22 THR 25 HG22 THR 25 3.960 -9.705 9.218 204 HG23 THR 25 HG23 THR 25 4.265 -11.297 8.525 205 H ALA 26 HN ALA 26 4.472 -11.113 4.571 206 HA ALA 26 HA ALA 26 6.322 -12.961 5.585 207 HB1 ALA 26 HB1 ALA 26 6.447 -13.811 3.302 208 HB2 ALA 26 HB2 ALA 26 5.674 -12.343 2.702 209 HB3 ALA 26 HB3 ALA 26 4.774 -13.451 3.737 210 H ASN 27 HN ASN 27 6.704 -9.990 3.875 211 HA ASN 27 HA ASN 27 9.568 -10.449 3.532 212 HB2 ASN 27 HB2 ASN 27 7.674 -8.475 2.315 213 HB3 ASN 27 HB1 ASN 27 9.413 -8.202 2.277 214 HD21 ASN 27 HD21 ASN 27 6.807 -10.282 1.169 215 HD22 ASN 27 HD22 ASN 27 7.735 -11.027 -0.076 216 H ARG 28 HN ARG 28 7.867 -9.557 6.010 217 HA ARG 28 HA ARG 28 8.254 -8.453 7.948 218 HB2 ARG 28 HB2 ARG 28 11.006 -7.971 6.789 219 HB3 ARG 28 HB1 ARG 28 10.556 -7.676 8.455 220 HG2 ARG 28 HG2 ARG 28 10.171 -10.054 8.791 221 HG3 ARG 28 HG1 ARG 28 10.545 -10.363 7.091 222 HD2 ARG 28 HD2 ARG 28 12.422 -9.206 9.158 223 HD3 ARG 28 HD1 ARG 28 12.486 -10.840 8.497 224 HE ARG 28 HE ARG 28 12.753 -9.592 6.277 225 HH11 ARG 28 HH11 ARG 28 14.237 -8.578 9.369 226 HH12 ARG 28 HH12 ARG 28 15.492 -7.709 8.608 227 HH21 ARG 28 HH21 ARG 28 14.536 -8.356 5.304 228 HH22 ARG 28 HH22 ARG 28 15.662 -7.577 6.312 229 H ILE 29 HN ILE 29 7.361 -7.007 5.477 230 HA ILE 29 HA ILE 29 8.473 -4.372 5.568 231 HB ILE 29 HB ILE 29 5.927 -5.352 4.256 232 HG12 ILE 29 HG12 ILE 29 8.591 -4.840 2.911 233 HG13 ILE 29 HG11 ILE 29 8.099 -6.445 3.477 234 HG21 ILE 29 HG21 ILE 29 6.069 -3.298 2.897 235 HG22 ILE 29 HG22 ILE 29 7.526 -2.832 3.781 236 HG23 ILE 29 HG23 ILE 29 5.993 -2.911 4.625 237 HD11 ILE 29 HD11 ILE 29 7.790 -6.175 1.147 238 HD12 ILE 29 HD12 ILE 29 6.831 -4.709 1.385 239 HD13 ILE 29 HD13 ILE 29 6.214 -6.278 1.915 240 H ALA 30 HN ALA 30 7.887 -2.756 6.817 241 HA ALA 30 HA ALA 30 5.723 -3.018 8.712 242 HB1 ALA 30 HB1 ALA 30 7.720 -0.852 8.183 243 HB2 ALA 30 HB2 ALA 30 7.901 -2.131 9.386 244 HB3 ALA 30 HB3 ALA 30 6.633 -0.899 9.573 245 H TYR 31 HN TYR 31 3.892 -1.633 8.674 246 HA TYR 31 HA TYR 31 3.685 0.296 6.564 247 HB2 TYR 31 HB2 TYR 31 1.643 -0.736 5.550 248 HB3 TYR 31 HB1 TYR 31 3.116 -1.643 5.262 249 HD1 TYR 31 HD1 TYR 31 -0.084 -1.610 7.111 250 HD2 TYR 31 HD2 TYR 31 3.378 -3.884 6.125 251 HE1 TYR 31 HE1 TYR 31 -1.182 -3.642 7.955 252 HE2 TYR 31 HE2 TYR 31 2.288 -5.916 6.972 253 HH TYR 31 HH TYR 31 0.509 -6.509 8.545 254 H ASP 32 HN ASP 32 1.420 1.219 6.475 255 HA ASP 32 HA ASP 32 0.239 1.388 9.165 256 HB2 ASP 32 HB2 ASP 32 1.399 3.491 8.417 257 HB3 ASP 32 HB1 ASP 32 0.359 3.531 7.006 258 H GLU 33 HN GLU 33 -1.768 0.582 9.149 259 HA GLU 33 HA GLU 33 -3.117 0.355 6.542 260 HB2 GLU 33 HB2 GLU 33 -4.169 -1.687 7.416 261 HB3 GLU 33 HB1 GLU 33 -2.422 -1.824 7.366 262 HG2 GLU 33 HG2 GLU 33 -2.326 -1.425 9.772 263 HG3 GLU 33 HG1 GLU 33 -4.078 -1.266 9.822 264 H VAL 34 HN VAL 34 -4.937 1.458 6.359 265 HA VAL 34 HA VAL 34 -6.514 1.914 8.753 266 HB VAL 34 HB VAL 34 -5.062 3.920 8.299 267 HG11 VAL 34 HG11 VAL 34 -5.473 5.397 6.458 268 HG12 VAL 34 HG12 VAL 34 -6.644 4.277 5.801 269 HG13 VAL 34 HG13 VAL 34 -4.922 3.813 5.894 270 HG21 VAL 34 HG21 VAL 34 -7.098 4.288 9.492 271 HG22 VAL 34 HG22 VAL 34 -7.998 4.375 7.971 272 HG23 VAL 34 HG23 VAL 34 -6.826 5.625 8.364 273 H ASP 35 HN ASP 35 -8.782 1.804 8.312 274 HA ASP 35 HA ASP 35 -9.193 0.720 5.637 275 HB2 ASP 35 HB2 ASP 35 -11.276 -0.263 6.367 276 HB3 ASP 35 HB1 ASP 35 -10.030 -0.663 7.536 277 H ILE 36 HN ILE 36 -10.587 1.405 4.246 278 HA ILE 36 HA ILE 36 -11.267 4.202 4.404 279 HB ILE 36 HB ILE 36 -11.853 3.983 2.055 280 HG12 ILE 36 HG12 ILE 36 -11.156 1.097 2.501 281 HG13 ILE 36 HG11 ILE 36 -12.781 1.720 2.174 282 HG21 ILE 36 HG21 ILE 36 -9.250 2.649 2.795 283 HG22 ILE 36 HG22 ILE 36 -9.545 4.386 2.769 284 HG23 ILE 36 HG23 ILE 36 -9.605 3.465 1.269 285 HD11 ILE 36 HD11 ILE 36 -10.410 1.576 0.349 286 HD12 ILE 36 HD12 ILE 36 -11.878 2.495 -0.025 287 HD13 ILE 36 HD13 ILE 36 -11.962 0.747 0.192 288 H GLU 37 HN GLU 37 -12.725 1.509 5.420 289 HA GLU 37 HA GLU 37 -15.291 1.952 4.326 290 HB2 GLU 37 HB2 GLU 37 -14.567 0.189 6.700 291 HB3 GLU 37 HB1 GLU 37 -15.989 0.081 5.657 292 HG2 GLU 37 HG2 GLU 37 -13.201 -0.313 4.638 293 HG3 GLU 37 HG1 GLU 37 -14.211 -1.625 5.231 294 H HIS 38 HN HIS 38 -13.597 2.558 7.351 295 HA HIS 38 HA HIS 38 -15.756 4.194 8.365 296 HB2 HIS 38 HB2 HIS 38 -14.426 2.964 10.015 297 HB3 HIS 38 HB1 HIS 38 -12.950 3.719 9.427 298 HD1 HIS 38 HD1 HIS 38 -12.183 5.349 11.179 299 HD2 HIS 38 HD2 HIS 38 -16.309 5.349 10.744 300 HE1 HIS 38 HE1 HIS 38 -13.044 7.169 12.688 301 H ASN 39 HN ASN 39 -12.554 4.688 6.944 302 HA ASN 39 HA ASN 39 -12.906 7.562 7.158 303 HB2 ASN 39 HB2 ASN 39 -10.622 6.002 5.930 304 HB3 ASN 39 HB1 ASN 39 -10.674 7.748 6.064 305 HD21 ASN 39 HD21 ASN 39 -10.184 4.762 7.644 306 HD22 ASN 39 HD22 ASN 39 -9.617 5.446 9.121 307 H ARG 40 HN ARG 40 -14.428 8.230 5.856 308 HA ARG 40 HA ARG 40 -14.823 7.109 3.279 309 HB2 ARG 40 HB2 ARG 40 -16.684 8.016 4.625 310 HB3 ARG 40 HB1 ARG 40 -16.003 9.623 4.451 311 HG2 ARG 40 HG2 ARG 40 -16.318 9.522 2.057 312 HG3 ARG 40 HG1 ARG 40 -16.984 7.895 2.207 313 HD2 ARG 40 HD2 ARG 40 -18.804 8.774 3.581 314 HD3 ARG 40 HD1 ARG 40 -18.138 10.401 3.413 315 HE ARG 40 HE ARG 40 -18.387 9.550 0.877 316 HH11 ARG 40 HH11 ARG 40 -20.700 9.934 3.548 317 HH12 ARG 40 HH12 ARG 40 -22.051 10.076 2.524 318 HH21 ARG 40 HH21 ARG 40 -20.210 9.754 -0.487 319 HH22 ARG 40 HH22 ARG 40 -21.770 9.998 0.153 320 H ALA 41 HN ALA 41 -13.036 9.859 4.488 321 HA ALA 41 HA ALA 41 -12.677 11.122 1.944 322 HB1 ALA 41 HB1 ALA 41 -10.929 11.271 4.400 323 HB2 ALA 41 HB2 ALA 41 -12.260 12.376 4.010 324 HB3 ALA 41 HB3 ALA 41 -10.821 12.291 2.976 325 H ALA 42 HN ALA 42 -11.007 8.700 3.786 326 HA ALA 42 HA ALA 42 -8.830 8.455 1.989 327 HB1 ALA 42 HB1 ALA 42 -9.866 6.389 3.954 328 HB2 ALA 42 HB2 ALA 42 -8.686 7.639 4.322 329 HB3 ALA 42 HB3 ALA 42 -8.299 6.385 3.140 330 H ALA 43 HN ALA 43 -11.975 6.906 2.308 331 HA ALA 43 HA ALA 43 -11.749 4.977 0.278 332 HB1 ALA 43 HB1 ALA 43 -13.608 5.044 1.916 333 HB2 ALA 43 HB2 ALA 43 -14.176 4.949 0.249 334 HB3 ALA 43 HB3 ALA 43 -14.224 6.484 1.109 335 H GLU 44 HN GLU 44 -12.785 8.321 0.182 336 HA GLU 44 HA GLU 44 -13.487 8.459 -2.517 337 HB2 GLU 44 HB2 GLU 44 -13.950 10.149 -0.709 338 HB3 GLU 44 HB1 GLU 44 -12.271 10.648 -0.823 339 HG2 GLU 44 HG2 GLU 44 -13.683 12.167 -2.048 340 HG3 GLU 44 HG1 GLU 44 -12.627 11.279 -3.148 341 H PHE 45 HN PHE 45 -10.461 9.093 -0.824 342 HA PHE 45 HA PHE 45 -8.809 9.838 -2.923 343 HB2 PHE 45 HB2 PHE 45 -8.145 10.053 -0.565 344 HB3 PHE 45 HB1 PHE 45 -8.149 8.310 -0.403 345 HD1 PHE 45 HD2 PHE 45 -6.424 11.082 -2.124 346 HD2 PHE 45 HD1 PHE 45 -6.254 6.990 -0.946 347 HE1 PHE 45 HE2 PHE 45 -4.073 10.971 -2.825 348 HE2 PHE 45 HE1 PHE 45 -3.913 6.886 -1.650 349 HZ PHE 45 HZ PHE 45 -2.820 8.871 -2.593 350 H VAL 46 HN VAL 46 -9.051 6.606 -1.459 351 HA VAL 46 HA VAL 46 -7.458 5.322 -3.407 352 HB VAL 46 HB VAL 46 -7.639 4.291 -1.236 353 HG11 VAL 46 HG11 VAL 46 -9.700 4.971 -0.493 354 HG12 VAL 46 HG12 VAL 46 -9.745 3.183 -0.639 355 HG13 VAL 46 HG13 VAL 46 -10.520 4.204 -1.860 356 HG21 VAL 46 HG21 VAL 46 -7.460 2.802 -3.199 357 HG22 VAL 46 HG22 VAL 46 -9.203 2.505 -3.021 358 HG23 VAL 46 HG23 VAL 46 -8.087 2.063 -1.723 359 H GLY 47 HN GLY 47 -10.919 5.874 -3.330 360 HA2 GLY 47 HA2 GLY 47 -11.563 4.147 -5.461 361 HA3 GLY 47 HA1 GLY 47 -12.501 5.537 -4.937 362 H SER 48 HN SER 48 -10.403 7.468 -5.410 363 HA SER 48 HA SER 48 -10.860 7.805 -8.219 364 HB2 SER 48 HB2 SER 48 -9.692 9.997 -7.901 365 HB3 SER 48 HB1 SER 48 -11.084 9.753 -6.853 366 HG SER 48 HG SER 48 -8.940 8.836 -5.542 367 H VAL 49 HN VAL 49 -8.433 6.299 -6.468 368 HA VAL 49 HA VAL 49 -6.570 6.524 -8.738 369 HB VAL 49 HB VAL 49 -4.742 5.869 -7.172 370 HG11 VAL 49 HG11 VAL 49 -6.320 8.255 -6.285 371 HG12 VAL 49 HG12 VAL 49 -5.112 8.223 -7.583 372 HG13 VAL 49 HG13 VAL 49 -4.625 7.958 -5.900 373 HG21 VAL 49 HG21 VAL 49 -5.096 5.851 -4.772 374 HG22 VAL 49 HG22 VAL 49 -6.184 4.672 -5.541 375 HG23 VAL 49 HG23 VAL 49 -6.794 6.240 -5.024 376 H ASN 50 HN ASN 50 -8.906 4.780 -8.027 377 HA ASN 50 HA ASN 50 -7.672 2.160 -7.780 378 HB2 ASN 50 HB2 ASN 50 -10.015 3.269 -6.741 379 HB3 ASN 50 HB1 ASN 50 -10.575 2.146 -7.973 380 HD21 ASN 50 HD21 ASN 50 -7.780 1.994 -5.853 381 HD22 ASN 50 HD22 ASN 50 -8.280 0.538 -5.067 382 H GLY 51 HN GLY 51 -9.430 0.530 -9.067 383 HA2 GLY 51 HA2 GLY 51 -9.221 1.261 -11.869 384 HA3 GLY 51 HA1 GLY 51 -9.703 -0.310 -11.225 385 H GLY 52 HN GLY 52 -10.794 3.051 -11.379 386 HA2 GLY 52 HA2 GLY 52 -12.918 3.692 -12.238 387 HA3 GLY 52 HA1 GLY 52 -13.521 2.085 -11.829 388 H ASN 53 HN ASN 53 -14.313 1.698 -9.825 389 HA ASN 53 HA ASN 53 -14.443 3.980 -7.964 390 HB2 ASN 53 HB2 ASN 53 -16.611 2.887 -8.873 391 HB3 ASN 53 HB1 ASN 53 -16.169 1.471 -7.934 392 HD21 ASN 53 HD21 ASN 53 -17.385 4.678 -7.854 393 HD22 ASN 53 HD22 ASN 53 -17.826 4.720 -6.192 394 H ARG 54 HN ARG 54 -14.560 2.920 -5.534 395 HA ARG 54 HA ARG 54 -12.103 1.445 -5.492 396 HB2 ARG 54 HB2 ARG 54 -11.950 1.631 -3.120 397 HB3 ARG 54 HB1 ARG 54 -12.451 3.197 -3.754 398 HG2 ARG 54 HG2 ARG 54 -14.244 1.191 -2.388 399 HG3 ARG 54 HG1 ARG 54 -13.489 2.571 -1.600 400 HD2 ARG 54 HD2 ARG 54 -14.695 4.049 -3.150 401 HD3 ARG 54 HD1 ARG 54 -15.503 2.630 -3.829 402 HE ARG 54 HE ARG 54 -15.687 3.040 -0.973 403 HH11 ARG 54 HH11 ARG 54 -17.291 3.163 -4.123 404 HH12 ARG 54 HH12 ARG 54 -18.828 3.489 -3.491 405 HH21 ARG 54 HH21 ARG 54 -17.850 3.491 -0.096 406 HH22 ARG 54 HH22 ARG 54 -19.146 3.694 -1.175 407 H THR 55 HN THR 55 -11.966 -0.458 -5.827 408 HA THR 55 HA THR 55 -13.821 -2.349 -4.576 409 HB THR 55 HB THR 55 -14.487 -2.138 -6.926 410 HG1 THR 55 HG1 THR 55 -13.464 -4.498 -5.910 411 HG21 THR 55 HG21 THR 55 -11.659 -2.980 -7.607 412 HG22 THR 55 HG22 THR 55 -12.347 -1.378 -7.864 413 HG23 THR 55 HG23 THR 55 -12.976 -2.757 -8.760 414 H VAL 56 HN VAL 56 -10.632 -1.379 -5.286 415 HA VAL 56 HA VAL 56 -9.599 -3.828 -4.131 416 HB VAL 56 HB VAL 56 -7.530 -3.398 -5.612 417 HG11 VAL 56 HG11 VAL 56 -10.105 -4.459 -6.851 418 HG12 VAL 56 HG12 VAL 56 -8.986 -5.388 -5.853 419 HG13 VAL 56 HG13 VAL 56 -8.481 -4.811 -7.439 420 HG21 VAL 56 HG21 VAL 56 -8.022 -2.465 -7.843 421 HG22 VAL 56 HG22 VAL 56 -8.203 -1.268 -6.557 422 HG23 VAL 56 HG23 VAL 56 -9.628 -2.006 -7.281 423 HA PRO 57 HA PRO 57 -7.423 -1.113 -1.483 424 HB2 PRO 57 HB2 PRO 57 -5.108 -2.494 -1.070 425 HB3 PRO 57 HB1 PRO 57 -6.660 -2.904 -0.323 426 HG2 PRO 57 HG2 PRO 57 -5.331 -4.123 -2.695 427 HG3 PRO 57 HG1 PRO 57 -6.190 -4.917 -1.366 428 HD2 PRO 57 HD2 PRO 57 -7.342 -4.476 -3.774 429 HD3 PRO 57 HD1 PRO 57 -8.264 -4.463 -2.256 430 H THR 58 HN THR 58 -5.679 0.314 -1.417 431 HA THR 58 HA THR 58 -3.810 0.305 -3.627 432 HB THR 58 HB THR 58 -5.329 2.792 -2.794 433 HG1 THR 58 HG1 THR 58 -6.051 0.755 -4.353 434 HG21 THR 58 HG21 THR 58 -4.496 3.706 -4.901 435 HG22 THR 58 HG22 THR 58 -3.551 2.242 -5.168 436 HG23 THR 58 HG23 THR 58 -3.199 3.302 -3.773 437 H VAL 59 HN VAL 59 -1.936 1.385 -3.078 438 HA VAL 59 HA VAL 59 -1.714 1.894 -0.228 439 HB VAL 59 HB VAL 59 -0.711 -0.233 -0.825 440 HG11 VAL 59 HG11 VAL 59 1.195 -0.384 -2.341 441 HG12 VAL 59 HG12 VAL 59 0.975 1.315 -2.768 442 HG13 VAL 59 HG13 VAL 59 -0.281 0.131 -3.166 443 HG21 VAL 59 HG21 VAL 59 1.566 0.195 -0.126 444 HG22 VAL 59 HG22 VAL 59 0.311 0.983 0.870 445 HG23 VAL 59 HG23 VAL 59 1.238 1.931 -0.323 446 H LYS 60 HN LYS 60 -0.674 3.725 0.345 447 HA LYS 60 HA LYS 60 0.410 5.399 -1.823 448 HB2 LYS 60 HB2 LYS 60 -1.623 6.337 -0.558 449 HB3 LYS 60 HB1 LYS 60 -0.588 6.369 0.856 450 HG2 LYS 60 HG2 LYS 60 0.969 7.865 -0.261 451 HG3 LYS 60 HG1 LYS 60 -0.029 7.849 -1.705 452 HD2 LYS 60 HD2 LYS 60 -0.474 9.871 -0.525 453 HD3 LYS 60 HD1 LYS 60 -1.878 8.830 -0.341 454 HE2 LYS 60 HE2 LYS 60 -1.215 8.232 1.895 455 HE3 LYS 60 HE1 LYS 60 0.309 9.106 1.715 456 HZ1 LYS 60 HZ1 LYS 60 -0.913 11.159 1.535 457 HZ2 LYS 60 HZ2 LYS 60 -1.357 10.394 2.956 458 HZ3 LYS 60 HZ3 LYS 60 -2.388 10.374 1.636 459 H PHE 61 HN PHE 61 2.487 5.807 -1.687 460 HA PHE 61 HA PHE 61 3.992 4.840 0.601 461 HB2 PHE 61 HB2 PHE 61 4.874 6.112 -1.982 462 HB3 PHE 61 HB1 PHE 61 5.965 5.537 -0.730 463 HD1 PHE 61 HD2 PHE 61 3.657 4.611 -3.375 464 HD2 PHE 61 HD1 PHE 61 6.304 3.183 -0.367 465 HE1 PHE 61 HE2 PHE 61 3.645 2.416 -4.417 466 HE2 PHE 61 HE1 PHE 61 6.301 0.973 -1.406 467 HZ PHE 61 HZ PHE 61 4.987 0.581 -3.440 468 H ALA 62 HN ALA 62 5.766 6.244 1.419 469 HA ALA 62 HA ALA 62 4.829 8.595 2.588 470 HB1 ALA 62 HB1 ALA 62 7.121 8.967 3.284 471 HB2 ALA 62 HB2 ALA 62 7.682 7.776 2.112 472 HB3 ALA 62 HB3 ALA 62 6.677 7.271 3.469 473 H ASP 63 HN ASP 63 6.400 8.059 -0.466 474 HA ASP 63 HA ASP 63 7.163 10.786 -0.850 475 HB2 ASP 63 HB2 ASP 63 7.853 10.174 -3.072 476 HB3 ASP 63 HB1 ASP 63 8.315 8.864 -1.999 477 H GLY 64 HN GLY 64 4.237 9.096 -1.111 478 HA2 GLY 64 HA2 GLY 64 2.244 10.409 -1.295 479 HA3 GLY 64 HA1 GLY 64 3.061 11.398 -2.492 480 H SER 65 HN SER 65 4.073 8.685 -3.679 481 HA SER 65 HA SER 65 1.977 8.579 -5.602 482 HB2 SER 65 HB2 SER 65 3.371 6.798 -6.670 483 HB3 SER 65 HB1 SER 65 4.229 8.311 -6.376 484 HG SER 65 HG SER 65 5.250 7.434 -4.686 485 H THR 66 HN THR 66 0.745 6.783 -6.258 486 HA THR 66 HA THR 66 0.228 4.841 -4.140 487 HB THR 66 HB THR 66 -2.054 4.708 -5.295 488 HG1 THR 66 HG1 THR 66 -2.332 5.917 -6.895 489 HG21 THR 66 HG21 THR 66 -1.813 5.613 -3.092 490 HG22 THR 66 HG22 THR 66 -2.949 6.608 -3.997 491 HG23 THR 66 HG23 THR 66 -1.291 7.176 -3.731 492 H LEU 67 HN LEU 67 -0.225 2.751 -4.768 493 HA LEU 67 HA LEU 67 -0.147 2.111 -7.628 494 HB2 LEU 67 HB2 LEU 67 1.204 0.492 -5.432 495 HB3 LEU 67 HB1 LEU 67 0.888 -0.111 -7.034 496 HG LEU 67 HG LEU 67 2.791 2.130 -6.330 497 HD11 LEU 67 HD11 LEU 67 3.544 -0.132 -5.644 498 HD12 LEU 67 HD12 LEU 67 4.518 0.524 -6.962 499 HD13 LEU 67 HD13 LEU 67 3.286 -0.687 -7.296 500 HD21 LEU 67 HD21 LEU 67 3.494 1.929 -8.683 501 HD22 LEU 67 HD22 LEU 67 1.838 2.494 -8.528 502 HD23 LEU 67 HD23 LEU 67 2.159 0.814 -8.975 503 H THR 68 HN THR 68 -1.991 1.206 -8.194 504 HA THR 68 HA THR 68 -3.957 0.386 -6.356 505 HB THR 68 HB THR 68 -3.682 -0.425 -9.277 506 HG1 THR 68 HG1 THR 68 -4.772 1.983 -8.140 507 HG21 THR 68 HG21 THR 68 -6.108 0.047 -7.522 508 HG22 THR 68 HG22 THR 68 -5.497 -1.532 -8.015 509 HG23 THR 68 HG23 THR 68 -6.139 -0.421 -9.224 510 H ASN 69 HN ASN 69 -4.464 -1.705 -5.625 511 HA ASN 69 HA ASN 69 -3.036 -3.260 -4.367 512 HB2 ASN 69 HB2 ASN 69 -4.295 -5.303 -4.809 513 HB3 ASN 69 HB1 ASN 69 -5.325 -3.885 -4.772 514 HD21 ASN 69 HD21 ASN 69 -4.399 -6.626 -6.507 515 HD22 ASN 69 HD22 ASN 69 -5.278 -6.302 -7.963 516 HA PRO 70 HA PRO 70 0.366 -4.849 -6.840 517 HB2 PRO 70 HB2 PRO 70 2.267 -3.836 -5.313 518 HB3 PRO 70 HB1 PRO 70 1.362 -2.799 -6.423 519 HG2 PRO 70 HG2 PRO 70 1.246 -2.948 -3.477 520 HG3 PRO 70 HG1 PRO 70 0.807 -1.612 -4.550 521 HD2 PRO 70 HD2 PRO 70 -0.909 -3.571 -3.320 522 HD3 PRO 70 HD1 PRO 70 -1.348 -2.185 -4.344 523 H SER 71 HN SER 71 2.436 -5.889 -5.829 524 HA SER 71 HA SER 71 1.643 -7.525 -3.567 525 HB2 SER 71 HB2 SER 71 1.793 -8.864 -5.611 526 HB3 SER 71 HB1 SER 71 3.401 -8.252 -5.944 527 HG SER 71 HG SER 71 4.162 -9.713 -4.698 528 H ALA 72 HN ALA 72 3.799 -8.421 -2.547 529 HA ALA 72 HA ALA 72 4.929 -6.293 -1.077 530 HB1 ALA 72 HB1 ALA 72 6.397 -7.930 -0.132 531 HB2 ALA 72 HB2 ALA 72 5.995 -9.081 -1.414 532 HB3 ALA 72 HB3 ALA 72 4.760 -8.556 -0.263 533 H ASP 73 HN ASP 73 6.485 -8.099 -3.729 534 HA ASP 73 HA ASP 73 8.823 -6.531 -3.305 535 HB2 ASP 73 HB2 ASP 73 8.234 -8.559 -5.470 536 HB3 ASP 73 HB1 ASP 73 9.729 -7.635 -5.404 537 H GLU 74 HN GLU 74 6.143 -6.230 -5.425 538 HA GLU 74 HA GLU 74 7.128 -4.235 -7.145 539 HB2 GLU 74 HB2 GLU 74 4.359 -4.655 -6.028 540 HB3 GLU 74 HB1 GLU 74 4.734 -3.431 -7.229 541 HG2 GLU 74 HG2 GLU 74 5.065 -6.398 -7.569 542 HG3 GLU 74 HG1 GLU 74 3.762 -5.398 -8.215 543 H VAL 75 HN VAL 75 5.658 -4.026 -3.962 544 HA VAL 75 HA VAL 75 5.999 -1.199 -3.972 545 HB VAL 75 HB VAL 75 5.154 -1.289 -1.572 546 HG11 VAL 75 HG11 VAL 75 3.462 -2.456 -3.780 547 HG12 VAL 75 HG12 VAL 75 3.657 -0.734 -3.456 548 HG13 VAL 75 HG13 VAL 75 2.830 -1.773 -2.298 549 HG21 VAL 75 HG21 VAL 75 4.455 -4.094 -2.365 550 HG22 VAL 75 HG22 VAL 75 3.978 -3.291 -0.874 551 HG23 VAL 75 HG23 VAL 75 5.683 -3.690 -1.163 552 H LYS 76 HN LYS 76 7.752 -3.899 -2.672 553 HA LYS 76 HA LYS 76 9.513 -2.527 -0.969 554 HB2 LYS 76 HB2 LYS 76 9.952 -4.984 -2.667 555 HB3 LYS 76 HB1 LYS 76 11.185 -4.343 -1.600 556 HG2 LYS 76 HG2 LYS 76 9.916 -4.808 0.329 557 HG3 LYS 76 HG1 LYS 76 8.455 -5.089 -0.620 558 HD2 LYS 76 HD2 LYS 76 9.374 -7.203 0.158 559 HD3 LYS 76 HD1 LYS 76 9.490 -7.117 -1.586 560 HE2 LYS 76 HE2 LYS 76 11.884 -6.368 -1.255 561 HE3 LYS 76 HE1 LYS 76 11.674 -6.779 0.448 562 HZ1 LYS 76 HZ1 LYS 76 11.083 -9.057 -0.229 563 HZ2 LYS 76 HZ2 LYS 76 12.624 -8.632 -0.745 564 HZ3 LYS 76 HZ3 LYS 76 11.352 -8.638 -1.846 565 H ALA 77 HN ALA 77 9.585 -3.071 -4.445 566 HA ALA 77 HA ALA 77 12.055 -2.047 -5.092 567 HB1 ALA 77 HB1 ALA 77 9.515 -1.778 -6.697 568 HB2 ALA 77 HB2 ALA 77 10.564 -3.193 -6.669 569 HB3 ALA 77 HB3 ALA 77 11.161 -1.669 -7.320 570 H LYS 78 HN LYS 78 9.074 -0.289 -4.456 571 HA LYS 78 HA LYS 78 10.387 2.214 -5.043 572 HB2 LYS 78 HB2 LYS 78 7.661 1.657 -3.941 573 HB3 LYS 78 HB1 LYS 78 8.295 3.280 -4.160 574 HG2 LYS 78 HG2 LYS 78 8.648 2.678 -6.580 575 HG3 LYS 78 HG1 LYS 78 7.723 1.217 -6.252 576 HD2 LYS 78 HD2 LYS 78 6.154 2.717 -7.109 577 HD3 LYS 78 HD1 LYS 78 5.922 2.754 -5.360 578 HE2 LYS 78 HE2 LYS 78 7.506 4.814 -6.924 579 HE3 LYS 78 HE1 LYS 78 5.828 5.015 -6.461 580 HZ1 LYS 78 HZ1 LYS 78 6.602 4.910 -4.083 581 HZ2 LYS 78 HZ2 LYS 78 7.130 6.196 -4.947 582 HZ3 LYS 78 HZ3 LYS 78 8.205 4.952 -4.657 583 H LEU 79 HN LEU 79 9.167 0.545 -2.214 584 HA LEU 79 HA LEU 79 9.622 2.496 -0.308 585 HB2 LEU 79 HB2 LEU 79 8.256 0.534 0.060 586 HB3 LEU 79 HB1 LEU 79 9.665 -0.497 -0.034 587 HG LEU 79 HG LEU 79 10.538 0.498 2.008 588 HD11 LEU 79 HD11 LEU 79 7.925 2.009 2.086 589 HD12 LEU 79 HD12 LEU 79 9.526 2.711 1.838 590 HD13 LEU 79 HD13 LEU 79 9.126 1.955 3.376 591 HD21 LEU 79 HD21 LEU 79 8.889 -0.476 3.543 592 HD22 LEU 79 HD22 LEU 79 9.217 -1.509 2.153 593 HD23 LEU 79 HD23 LEU 79 7.729 -0.566 2.216 594 H VAL 80 HN VAL 80 11.840 0.007 -1.495 595 HA VAL 80 HA VAL 80 13.889 0.422 0.382 596 HB VAL 80 HB VAL 80 13.650 -1.575 -1.144 597 HG11 VAL 80 HG11 VAL 80 13.197 -0.510 -3.251 598 HG12 VAL 80 HG12 VAL 80 14.619 -1.543 -3.382 599 HG13 VAL 80 HG13 VAL 80 14.810 0.207 -3.259 600 HG21 VAL 80 HG21 VAL 80 16.347 -0.281 -1.292 601 HG22 VAL 80 HG22 VAL 80 16.002 -2.005 -1.442 602 HG23 VAL 80 HG23 VAL 80 15.722 -1.184 0.099 603 H LYS 81 HN LYS 81 13.064 2.051 -2.584 604 HA LYS 81 HA LYS 81 15.498 3.565 -2.695 605 HB2 LYS 81 HB2 LYS 81 12.984 3.833 -4.342 606 HB3 LYS 81 HB1 LYS 81 14.530 4.608 -4.674 607 HG2 LYS 81 HG2 LYS 81 15.542 2.339 -4.847 608 HG3 LYS 81 HG1 LYS 81 13.922 1.669 -4.698 609 HD2 LYS 81 HD2 LYS 81 13.288 2.939 -6.765 610 HD3 LYS 81 HD1 LYS 81 14.971 3.441 -6.888 611 HE2 LYS 81 HE2 LYS 81 15.686 1.133 -7.006 612 HE3 LYS 81 HE1 LYS 81 14.022 0.590 -6.842 613 HZ1 LYS 81 HZ1 LYS 81 13.483 1.637 -8.909 614 HZ2 LYS 81 HZ2 LYS 81 14.740 0.556 -9.142 615 HZ3 LYS 81 HZ3 LYS 81 15.050 2.225 -9.098 616 H ILE 82 HN ILE 82 12.474 3.893 -1.222 617 HA ILE 82 HA ILE 82 12.543 6.794 -1.024 618 HB ILE 82 HB ILE 82 10.734 4.794 0.371 619 HG12 ILE 82 HG12 ILE 82 10.164 6.546 -2.026 620 HG13 ILE 82 HG11 ILE 82 10.518 4.825 -2.098 621 HG21 ILE 82 HG21 ILE 82 10.854 6.896 1.613 622 HG22 ILE 82 HG22 ILE 82 9.274 6.722 0.852 623 HG23 ILE 82 HG23 ILE 82 10.474 7.800 0.146 624 HD11 ILE 82 HD11 ILE 82 8.170 6.086 -0.712 625 HD12 ILE 82 HD12 ILE 82 8.520 4.357 -0.802 626 HD13 ILE 82 HD13 ILE 82 8.137 5.256 -2.267 627 H ALA 83 HN ALA 83 12.962 3.997 1.085 628 HA ALA 83 HA ALA 83 13.403 5.454 3.467 629 HB1 ALA 83 HB1 ALA 83 12.692 3.134 3.484 630 HB2 ALA 83 HB2 ALA 83 14.175 3.351 4.412 631 HB3 ALA 83 HB3 ALA 83 14.240 2.640 2.796 632 H GLY 84 HN GLY 84 15.502 4.585 0.879 633 HA2 GLY 84 HA2 GLY 84 17.512 6.283 1.110 634 HA3 GLY 84 HA1 GLY 84 17.835 5.187 2.466 635 H LEU 85 HN LEU 85 19.409 4.045 1.963 636 HA LEU 85 HA LEU 85 20.722 2.515 1.033 637 HB2 LEU 85 HB2 LEU 85 18.041 1.286 0.687 638 HB3 LEU 85 HB1 LEU 85 19.548 0.378 0.531 639 HG LEU 85 HG LEU 85 18.656 -0.141 2.605 640 HD11 LEU 85 HD11 LEU 85 21.008 0.279 2.767 641 HD12 LEU 85 HD12 LEU 85 20.206 0.721 4.273 642 HD13 LEU 85 HD13 LEU 85 20.708 1.977 3.141 643 HD21 LEU 85 HD21 LEU 85 18.161 2.779 3.142 644 HD22 LEU 85 HD22 LEU 85 17.905 1.476 4.305 645 HD23 LEU 85 HD23 LEU 85 16.945 1.540 2.828 646 H GLU 86 HN GLU 86 18.126 1.809 -1.289 647 HA GLU 86 HA GLU 86 20.204 1.816 -3.352 648 HB2 GLU 86 HB2 GLU 86 18.982 -0.297 -2.948 649 HB3 GLU 86 HB1 GLU 86 17.480 0.512 -3.362 650 HG2 GLU 86 HG2 GLU 86 18.305 0.900 -5.633 651 HG3 GLU 86 HG1 GLU 86 19.818 0.098 -5.221 652 H HIS 87 HN HIS 87 20.265 3.629 -4.384 653 HA HIS 87 HA HIS 87 18.599 4.598 -6.293 654 HB2 HIS 87 HB2 HIS 87 17.003 5.130 -4.274 655 HB3 HIS 87 HB1 HIS 87 18.186 6.360 -3.854 656 HD1 HIS 87 HD1 HIS 87 18.556 8.286 -5.896 657 HD2 HIS 87 HD2 HIS 87 15.147 5.890 -6.041 658 HE1 HIS 87 HE1 HIS 87 16.936 9.440 -7.414 659 H HIS 88 HN HIS 88 20.349 5.530 -3.488 660 HA HIS 88 HA HIS 88 21.892 7.464 -4.986 661 HB2 HIS 88 HB2 HIS 88 21.543 7.063 -2.006 662 HB3 HIS 88 HB1 HIS 88 22.622 8.260 -2.723 663 HD1 HIS 88 HD1 HIS 88 18.997 7.646 -1.923 664 HD2 HIS 88 HD2 HIS 88 21.329 10.407 -3.979 665 HE1 HIS 88 HE1 HIS 88 17.519 9.591 -2.380 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 14.089 9.202 6.121 2 H2 MET 1 HT2 MET 1 13.438 8.764 4.664 3 H3 MET 1 HT3 MET 1 14.882 8.080 5.146 4 HA MET 1 HA MET 1 13.134 6.483 5.410 5 HB2 MET 1 HB2 MET 1 14.932 6.617 7.166 6 HB3 MET 1 HB1 MET 1 13.864 7.619 8.127 7 HG2 MET 1 HG2 MET 1 13.838 5.353 8.942 8 HG3 MET 1 HG1 MET 1 12.261 5.785 8.285 9 HE1 MET 1 HE1 MET 1 15.309 3.044 6.125 10 HE2 MET 1 HE2 MET 1 15.599 3.788 7.698 11 HE3 MET 1 HE3 MET 1 15.530 4.787 6.246 12 H VAL 2 HN VAL 2 12.355 9.694 6.493 13 HA VAL 2 HA VAL 2 10.541 10.802 6.806 14 HB VAL 2 HB VAL 2 8.954 8.458 5.698 15 HG11 VAL 2 HG11 VAL 2 8.295 11.385 5.919 16 HG12 VAL 2 HG12 VAL 2 7.489 10.033 6.733 17 HG13 VAL 2 HG13 VAL 2 7.353 10.224 4.992 18 HG21 VAL 2 HG21 VAL 2 10.212 10.768 4.205 19 HG22 VAL 2 HG22 VAL 2 9.120 9.570 3.505 20 HG23 VAL 2 HG23 VAL 2 10.696 9.073 4.114 21 H THR 3 HN THR 3 8.784 7.828 7.434 22 HA THR 3 HA THR 3 9.067 7.475 10.087 23 HB THR 3 HB THR 3 8.333 9.773 10.591 24 HG1 THR 3 HG1 THR 3 6.123 9.092 11.601 25 HG21 THR 3 HG21 THR 3 6.036 10.574 10.061 26 HG22 THR 3 HG22 THR 3 5.794 9.146 9.054 27 HG23 THR 3 HG23 THR 3 7.028 10.336 8.628 28 H ALA 4 HN ALA 4 6.637 7.886 7.594 29 HA ALA 4 HA ALA 4 5.523 5.265 8.243 30 HB1 ALA 4 HB1 ALA 4 3.635 5.978 6.814 31 HB2 ALA 4 HB2 ALA 4 4.444 7.520 6.534 32 HB3 ALA 4 HB3 ALA 4 3.887 7.099 8.154 33 H ALA 5 HN ALA 5 5.149 3.900 6.335 34 HA ALA 5 HA ALA 5 7.329 4.377 4.402 35 HB1 ALA 5 HB1 ALA 5 7.575 2.319 5.685 36 HB2 ALA 5 HB2 ALA 5 7.246 1.937 3.993 37 HB3 ALA 5 HB3 ALA 5 5.967 1.796 5.194 38 H LEU 6 HN LEU 6 4.231 2.688 4.482 39 HA LEU 6 HA LEU 6 3.120 4.288 2.512 40 HB2 LEU 6 HB2 LEU 6 2.718 2.587 0.747 41 HB3 LEU 6 HB1 LEU 6 4.400 3.012 0.888 42 HG LEU 6 HG LEU 6 4.327 0.761 0.345 43 HD11 LEU 6 HD11 LEU 6 5.195 -0.539 2.185 44 HD12 LEU 6 HD12 LEU 6 4.813 0.810 3.266 45 HD13 LEU 6 HD13 LEU 6 5.963 1.030 1.953 46 HD21 LEU 6 HD21 LEU 6 2.221 0.312 2.426 47 HD22 LEU 6 HD22 LEU 6 3.013 -0.954 1.465 48 HD23 LEU 6 HD23 LEU 6 2.048 0.291 0.665 49 H THR 7 HN THR 7 1.050 4.275 2.571 50 HA THR 7 HA THR 7 -0.027 2.617 4.707 51 HB THR 7 HB THR 7 -1.162 5.184 3.593 52 HG1 THR 7 HG1 THR 7 0.902 4.617 5.378 53 HG21 THR 7 HG21 THR 7 -1.587 3.707 6.206 54 HG22 THR 7 HG22 THR 7 -2.730 3.754 4.863 55 HG23 THR 7 HG23 THR 7 -2.352 5.230 5.752 56 H ILE 8 HN ILE 8 -1.437 1.204 4.319 57 HA ILE 8 HA ILE 8 -2.476 0.688 1.676 58 HB ILE 8 HB ILE 8 -2.459 -0.812 4.287 59 HG12 ILE 8 HG12 ILE 8 -1.224 -1.492 1.627 60 HG13 ILE 8 HG11 ILE 8 -0.348 -0.812 3.005 61 HG21 ILE 8 HG21 ILE 8 -3.847 -1.677 1.777 62 HG22 ILE 8 HG22 ILE 8 -4.530 -1.278 3.368 63 HG23 ILE 8 HG23 ILE 8 -3.508 -2.703 3.190 64 HD11 ILE 8 HD11 ILE 8 -0.882 -2.852 4.273 65 HD12 ILE 8 HD12 ILE 8 0.020 -3.189 2.794 66 HD13 ILE 8 HD13 ILE 8 -1.717 -3.491 2.855 67 H TYR 9 HN TYR 9 -4.342 1.378 1.056 68 HA TYR 9 HA TYR 9 -6.464 1.928 3.001 69 HB2 TYR 9 HB2 TYR 9 -6.204 2.619 0.081 70 HB3 TYR 9 HB1 TYR 9 -7.600 2.991 1.075 71 HD1 TYR 9 HD2 TYR 9 -6.564 4.129 3.467 72 HD2 TYR 9 HD1 TYR 9 -5.099 4.484 -0.497 73 HE1 TYR 9 HE2 TYR 9 -5.565 6.281 4.043 74 HE2 TYR 9 HE1 TYR 9 -4.101 6.627 0.059 75 HH TYR 9 HH TYR 9 -4.582 8.445 1.777 76 H THR 10 HN THR 10 -7.769 0.267 3.325 77 HA THR 10 HA THR 10 -8.980 -1.013 1.104 78 HB THR 10 HB THR 10 -6.804 -2.273 1.290 79 HG1 THR 10 HG1 THR 10 -8.970 -3.955 2.059 80 HG21 THR 10 HG21 THR 10 -7.901 -3.141 3.974 81 HG22 THR 10 HG22 THR 10 -6.484 -2.126 3.720 82 HG23 THR 10 HG23 THR 10 -6.469 -3.811 3.188 83 H THR 11 HN THR 11 -10.531 -2.610 1.897 84 HA THR 11 HA THR 11 -11.305 -2.287 4.675 85 HB THR 11 HB THR 11 -13.543 -3.108 3.543 86 HG1 THR 11 HG1 THR 11 -13.641 -1.858 1.487 87 HG21 THR 11 HG21 THR 11 -14.261 -0.754 3.402 88 HG22 THR 11 HG22 THR 11 -12.566 -0.257 3.479 89 HG23 THR 11 HG23 THR 11 -13.311 -1.073 4.854 90 H SER 12 HN SER 12 -12.337 -4.333 5.468 91 HA SER 12 HA SER 12 -10.816 -6.569 4.637 92 HB2 SER 12 HB2 SER 12 -13.057 -6.311 6.638 93 HB3 SER 12 HB1 SER 12 -12.024 -7.730 6.464 94 HG SER 12 HG SER 12 -10.556 -5.485 6.620 95 H TRP 13 HN TRP 13 -13.682 -5.255 3.467 96 HA TRP 13 HA TRP 13 -14.640 -7.798 2.523 97 HB2 TRP 13 HB2 TRP 13 -16.392 -6.449 1.266 98 HB3 TRP 13 HB1 TRP 13 -16.482 -6.437 3.010 99 HD1 TRP 13 HD1 TRP 13 -16.400 -4.152 4.179 100 HE1 TRP 13 HE1 TRP 13 -16.349 -1.755 3.427 101 HE3 TRP 13 HE3 TRP 13 -15.360 -4.954 -0.752 102 HZ2 TRP 13 HZ2 TRP 13 -15.930 -0.312 0.965 103 HZ3 TRP 13 HZ3 TRP 13 -15.161 -3.009 -2.249 104 HH2 TRP 13 HH2 TRP 13 -15.443 -0.736 -1.406 105 H CYS 14 HN CYS 14 -12.240 -5.843 1.501 106 HA CYS 14 HA CYS 14 -12.622 -6.257 -1.323 107 HB2 CYS 14 HB2 CYS 14 -10.177 -5.383 0.261 108 HB3 CYS 14 HB1 CYS 14 -10.273 -5.409 -1.494 109 HG CYS 14 HG CYS 14 -12.231 -3.393 0.520 110 H GLY 15 HN GLY 15 -11.514 -7.834 -2.591 111 HA2 GLY 15 HA2 GLY 15 -11.242 -10.345 -1.295 112 HA3 GLY 15 HA1 GLY 15 -10.892 -10.004 -2.982 113 H TYR 16 HN TYR 16 -8.899 -8.121 -2.636 114 HA TYR 16 HA TYR 16 -6.731 -9.919 -2.058 115 HB2 TYR 16 HB2 TYR 16 -6.695 -7.137 -3.170 116 HB3 TYR 16 HB1 TYR 16 -5.244 -8.070 -2.852 117 HD1 TYR 16 HD2 TYR 16 -5.211 -10.458 -3.965 118 HD2 TYR 16 HD1 TYR 16 -7.617 -7.211 -5.267 119 HE1 TYR 16 HE2 TYR 16 -5.365 -11.473 -6.209 120 HE2 TYR 16 HE1 TYR 16 -7.774 -8.208 -7.500 121 HH TYR 16 HH TYR 16 -6.882 -11.376 -8.141 122 H CYS 17 HN CYS 17 -8.382 -7.937 -0.009 123 HA CYS 17 HA CYS 17 -6.497 -6.292 1.176 124 HB2 CYS 17 HB2 CYS 17 -7.900 -6.299 3.211 125 HB3 CYS 17 HB1 CYS 17 -8.839 -6.083 1.744 126 HG CYS 17 HG CYS 17 -10.210 -8.338 1.840 127 H LEU 18 HN LEU 18 -7.416 -9.458 2.546 128 HA LEU 18 HA LEU 18 -5.261 -9.421 4.370 129 HB2 LEU 18 HB2 LEU 18 -5.880 -11.692 5.019 130 HB3 LEU 18 HB1 LEU 18 -7.262 -10.638 4.958 131 HG LEU 18 HG LEU 18 -7.957 -12.746 4.256 132 HD11 LEU 18 HD11 LEU 18 -8.774 -12.526 1.995 133 HD12 LEU 18 HD12 LEU 18 -7.700 -11.151 1.751 134 HD13 LEU 18 HD13 LEU 18 -8.990 -11.062 2.955 135 HD21 LEU 18 HD21 LEU 18 -5.891 -13.849 3.760 136 HD22 LEU 18 HD22 LEU 18 -5.667 -12.871 2.313 137 HD23 LEU 18 HD23 LEU 18 -6.983 -14.042 2.386 138 H ARG 19 HN ARG 19 -5.601 -10.583 1.212 139 HA ARG 19 HA ARG 19 -3.479 -12.391 0.977 140 HB2 ARG 19 HB2 ARG 19 -5.177 -12.182 -0.739 141 HB3 ARG 19 HB1 ARG 19 -4.744 -10.506 -1.017 142 HG2 ARG 19 HG2 ARG 19 -3.926 -11.911 -2.801 143 HG3 ARG 19 HG1 ARG 19 -2.580 -11.213 -1.900 144 HD2 ARG 19 HD2 ARG 19 -2.363 -13.307 -0.654 145 HD3 ARG 19 HD1 ARG 19 -3.663 -14.013 -1.621 146 HE ARG 19 HE ARG 19 -2.061 -13.306 -3.531 147 HH11 ARG 19 HH11 ARG 19 -1.208 -14.804 -0.418 148 HH12 ARG 19 HH12 ARG 19 0.182 -15.577 -0.997 149 HH21 ARG 19 HH21 ARG 19 -0.101 -14.360 -4.334 150 HH22 ARG 19 HH22 ARG 19 0.848 -15.295 -3.278 151 H LEU 20 HN LEU 20 -3.660 -8.926 0.471 152 HA LEU 20 HA LEU 20 -0.958 -8.602 -0.248 153 HB2 LEU 20 HB2 LEU 20 -2.676 -7.085 -0.986 154 HB3 LEU 20 HB1 LEU 20 -3.055 -6.653 0.663 155 HG LEU 20 HG LEU 20 -0.885 -5.575 0.886 156 HD11 LEU 20 HD11 LEU 20 -0.545 -6.271 -2.039 157 HD12 LEU 20 HD12 LEU 20 0.461 -6.839 -0.703 158 HD13 LEU 20 HD13 LEU 20 0.472 -5.140 -1.157 159 HD21 LEU 20 HD21 LEU 20 -2.820 -4.293 0.213 160 HD22 LEU 20 HD22 LEU 20 -2.483 -4.656 -1.486 161 HD23 LEU 20 HD23 LEU 20 -1.346 -3.686 -0.544 162 H LYS 21 HN LYS 21 -2.693 -8.422 2.801 163 HA LYS 21 HA LYS 21 -0.710 -7.145 4.383 164 HB2 LYS 21 HB2 LYS 21 -2.514 -9.335 5.356 165 HB3 LYS 21 HB1 LYS 21 -1.878 -8.062 6.350 166 HG2 LYS 21 HG2 LYS 21 -4.001 -7.939 4.218 167 HG3 LYS 21 HG1 LYS 21 -4.252 -7.697 5.947 168 HD2 LYS 21 HD2 LYS 21 -2.660 -5.854 4.154 169 HD3 LYS 21 HD1 LYS 21 -4.391 -5.690 4.387 170 HE2 LYS 21 HE2 LYS 21 -2.186 -5.281 6.392 171 HE3 LYS 21 HE1 LYS 21 -3.380 -4.170 5.786 172 HZ1 LYS 21 HZ1 LYS 21 -3.972 -6.469 7.573 173 HZ2 LYS 21 HZ2 LYS 21 -5.147 -5.471 6.896 174 HZ3 LYS 21 HZ3 LYS 21 -4.023 -4.835 7.963 175 H THR 22 HN THR 22 -1.433 -10.549 3.760 176 HA THR 22 HA THR 22 0.672 -11.646 5.231 177 HB THR 22 HB THR 22 -0.768 -12.805 2.832 178 HG1 THR 22 HG1 THR 22 -2.389 -13.169 4.133 179 HG21 THR 22 HG21 THR 22 0.629 -14.143 5.164 180 HG22 THR 22 HG22 THR 22 1.241 -14.069 3.511 181 HG23 THR 22 HG23 THR 22 -0.230 -14.974 3.865 182 H ALA 23 HN ALA 23 0.383 -10.755 1.790 183 HA ALA 23 HA ALA 23 2.782 -11.819 0.869 184 HB1 ALA 23 HB1 ALA 23 2.587 -10.271 -1.006 185 HB2 ALA 23 HB2 ALA 23 1.395 -9.325 -0.114 186 HB3 ALA 23 HB3 ALA 23 1.015 -10.973 -0.615 187 H LEU 24 HN LEU 24 2.148 -8.591 2.191 188 HA LEU 24 HA LEU 24 4.877 -7.734 1.901 189 HB2 LEU 24 HB2 LEU 24 2.734 -6.647 3.690 190 HB3 LEU 24 HB1 LEU 24 4.235 -5.838 3.315 191 HG LEU 24 HG LEU 24 1.927 -6.337 1.431 192 HD11 LEU 24 HD11 LEU 24 1.783 -3.886 1.407 193 HD12 LEU 24 HD12 LEU 24 3.119 -3.819 2.547 194 HD13 LEU 24 HD13 LEU 24 1.591 -4.541 3.041 195 HD21 LEU 24 HD21 LEU 24 3.941 -6.496 0.088 196 HD22 LEU 24 HD22 LEU 24 4.607 -5.063 0.875 197 HD23 LEU 24 HD23 LEU 24 3.197 -4.923 -0.162 198 H THR 25 HN THR 25 3.065 -9.163 4.518 199 HA THR 25 HA THR 25 5.078 -8.807 6.451 200 HB THR 25 HB THR 25 2.864 -10.863 6.295 201 HG1 THR 25 HG1 THR 25 1.913 -8.921 6.462 202 HG21 THR 25 HG21 THR 25 3.159 -11.098 8.727 203 HG22 THR 25 HG22 THR 25 4.534 -9.997 8.666 204 HG23 THR 25 HG23 THR 25 4.624 -11.566 7.864 205 H ALA 26 HN ALA 26 4.340 -11.496 4.245 206 HA ALA 26 HA ALA 26 6.309 -13.281 5.121 207 HB1 ALA 26 HB1 ALA 26 5.124 -13.002 2.358 208 HB2 ALA 26 HB2 ALA 26 4.419 -13.919 3.685 209 HB3 ALA 26 HB3 ALA 26 5.956 -14.424 2.990 210 H ASN 27 HN ASN 27 6.431 -10.617 2.865 211 HA ASN 27 HA ASN 27 9.178 -11.262 2.147 212 HB2 ASN 27 HB2 ASN 27 7.263 -9.201 1.094 213 HB3 ASN 27 HB1 ASN 27 8.975 -9.170 0.689 214 HD21 ASN 27 HD21 ASN 27 5.959 -10.820 0.246 215 HD22 ASN 27 HD22 ASN 27 6.505 -11.830 -1.047 216 H ARG 28 HN ARG 28 7.930 -9.980 4.709 217 HA ARG 28 HA ARG 28 8.556 -8.617 6.360 218 HB2 ARG 28 HB2 ARG 28 11.319 -8.987 5.190 219 HB3 ARG 28 HB1 ARG 28 10.961 -8.433 6.822 220 HG2 ARG 28 HG2 ARG 28 9.860 -10.569 7.294 221 HG3 ARG 28 HG1 ARG 28 10.264 -11.121 5.671 222 HD2 ARG 28 HD2 ARG 28 12.649 -10.875 6.208 223 HD3 ARG 28 HD1 ARG 28 12.212 -10.363 7.841 224 HE ARG 28 HE ARG 28 11.241 -12.921 6.868 225 HH11 ARG 28 HH11 ARG 28 13.576 -11.232 8.957 226 HH12 ARG 28 HH12 ARG 28 13.816 -12.567 9.975 227 HH21 ARG 28 HH21 ARG 28 11.650 -14.754 8.226 228 HH22 ARG 28 HH22 ARG 28 12.722 -14.618 9.540 229 H ILE 29 HN ILE 29 7.337 -7.076 4.945 230 HA ILE 29 HA ILE 29 9.016 -4.760 4.285 231 HB ILE 29 HB ILE 29 6.301 -5.555 3.194 232 HG12 ILE 29 HG12 ILE 29 8.985 -5.429 1.821 233 HG13 ILE 29 HG11 ILE 29 8.244 -6.908 2.417 234 HG21 ILE 29 HG21 ILE 29 6.565 -3.642 1.660 235 HG22 ILE 29 HG22 ILE 29 8.069 -3.205 2.469 236 HG23 ILE 29 HG23 ILE 29 6.543 -3.109 3.343 237 HD11 ILE 29 HD11 ILE 29 7.157 -5.110 0.269 238 HD12 ILE 29 HD12 ILE 29 6.405 -6.594 0.869 239 HD13 ILE 29 HD13 ILE 29 7.964 -6.666 0.048 240 H ALA 30 HN ALA 30 8.637 -2.951 5.378 241 HA ALA 30 HA ALA 30 6.775 -2.916 7.549 242 HB1 ALA 30 HB1 ALA 30 8.976 -1.856 7.730 243 HB2 ALA 30 HB2 ALA 30 7.689 -0.668 7.955 244 HB3 ALA 30 HB3 ALA 30 8.554 -0.756 6.417 245 H TYR 31 HN TYR 31 4.722 -2.164 7.437 246 HA TYR 31 HA TYR 31 3.995 -0.273 5.345 247 HB2 TYR 31 HB2 TYR 31 2.064 -1.580 4.625 248 HB3 TYR 31 HB1 TYR 31 3.549 -2.465 4.321 249 HD1 TYR 31 HD2 TYR 31 4.083 -4.473 5.729 250 HD2 TYR 31 HD1 TYR 31 0.365 -2.431 6.070 251 HE1 TYR 31 HE2 TYR 31 3.108 -6.438 6.851 252 HE2 TYR 31 HE1 TYR 31 -0.617 -4.403 7.175 253 HH TYR 31 HH TYR 31 1.278 -7.015 8.300 254 H ASP 32 HN ASP 32 1.954 0.638 5.616 255 HA ASP 32 HA ASP 32 1.141 0.779 8.423 256 HB2 ASP 32 HB2 ASP 32 1.421 2.910 6.309 257 HB3 ASP 32 HB1 ASP 32 0.641 3.211 7.873 258 H GLU 33 HN GLU 33 -1.155 0.823 8.671 259 HA GLU 33 HA GLU 33 -2.720 0.745 6.175 260 HB2 GLU 33 HB2 GLU 33 -3.991 -1.179 6.948 261 HB3 GLU 33 HB1 GLU 33 -2.292 -1.573 6.763 262 HG2 GLU 33 HG2 GLU 33 -1.974 -1.463 9.160 263 HG3 GLU 33 HG1 GLU 33 -3.652 -0.966 9.382 264 H VAL 34 HN VAL 34 -4.672 1.697 6.258 265 HA VAL 34 HA VAL 34 -5.901 2.179 8.819 266 HB VAL 34 HB VAL 34 -4.630 4.282 8.176 267 HG11 VAL 34 HG11 VAL 34 -5.398 5.692 6.377 268 HG12 VAL 34 HG12 VAL 34 -6.544 4.456 5.888 269 HG13 VAL 34 HG13 VAL 34 -4.801 4.145 5.766 270 HG21 VAL 34 HG21 VAL 34 -7.621 4.539 8.232 271 HG22 VAL 34 HG22 VAL 34 -6.492 5.866 8.459 272 HG23 VAL 34 HG23 VAL 34 -6.529 4.535 9.622 273 H ASP 35 HN ASP 35 -8.261 2.145 8.583 274 HA ASP 35 HA ASP 35 -8.901 0.925 6.018 275 HB2 ASP 35 HB2 ASP 35 -10.797 -0.087 6.938 276 HB3 ASP 35 HB1 ASP 35 -9.654 -0.113 8.272 277 H ILE 36 HN ILE 36 -10.425 1.548 4.711 278 HA ILE 36 HA ILE 36 -10.871 4.394 4.589 279 HB ILE 36 HB ILE 36 -11.720 3.931 2.333 280 HG12 ILE 36 HG12 ILE 36 -11.084 1.059 3.031 281 HG13 ILE 36 HG11 ILE 36 -12.710 1.721 2.866 282 HG21 ILE 36 HG21 ILE 36 -9.566 3.064 1.474 283 HG22 ILE 36 HG22 ILE 36 -9.119 2.630 3.122 284 HG23 ILE 36 HG23 ILE 36 -9.364 4.323 2.691 285 HD11 ILE 36 HD11 ILE 36 -10.644 1.476 0.696 286 HD12 ILE 36 HD12 ILE 36 -12.281 2.132 0.507 287 HD13 ILE 36 HD13 ILE 36 -12.045 0.433 0.947 288 H GLU 37 HN GLU 37 -12.629 2.012 6.087 289 HA GLU 37 HA GLU 37 -15.130 2.880 4.949 290 HB2 GLU 37 HB2 GLU 37 -14.647 0.476 5.350 291 HB3 GLU 37 HB1 GLU 37 -14.636 0.800 7.072 292 HG2 GLU 37 HG2 GLU 37 -16.929 1.207 7.124 293 HG3 GLU 37 HG1 GLU 37 -17.016 1.432 5.376 294 H HIS 38 HN HIS 38 -13.345 2.942 7.929 295 HA HIS 38 HA HIS 38 -15.251 4.580 9.306 296 HB2 HIS 38 HB2 HIS 38 -13.725 3.152 10.569 297 HB3 HIS 38 HB1 HIS 38 -12.339 3.968 9.865 298 HD1 HIS 38 HD1 HIS 38 -11.278 5.496 11.568 299 HD2 HIS 38 HD2 HIS 38 -15.418 5.292 11.969 300 HE1 HIS 38 HE1 HIS 38 -11.879 7.032 13.459 301 H ASN 39 HN ASN 39 -12.477 5.126 7.271 302 HA ASN 39 HA ASN 39 -12.605 8.032 7.746 303 HB2 ASN 39 HB2 ASN 39 -10.483 6.405 6.348 304 HB3 ASN 39 HB1 ASN 39 -10.459 8.152 6.520 305 HD21 ASN 39 HD21 ASN 39 -9.905 5.118 7.998 306 HD22 ASN 39 HD22 ASN 39 -9.273 5.742 9.471 307 H ARG 40 HN ARG 40 -14.163 8.845 6.399 308 HA ARG 40 HA ARG 40 -14.575 7.778 3.823 309 HB2 ARG 40 HB2 ARG 40 -16.399 9.029 4.863 310 HB3 ARG 40 HB1 ARG 40 -15.435 10.509 4.816 311 HG2 ARG 40 HG2 ARG 40 -15.343 10.381 2.377 312 HG3 ARG 40 HG1 ARG 40 -16.306 8.916 2.419 313 HD2 ARG 40 HD2 ARG 40 -18.178 10.142 3.289 314 HD3 ARG 40 HD1 ARG 40 -17.206 11.624 3.373 315 HE ARG 40 HE ARG 40 -16.897 11.106 0.850 316 HH11 ARG 40 HH11 ARG 40 -19.931 10.815 2.644 317 HH12 ARG 40 HH12 ARG 40 -20.899 11.060 1.262 318 HH21 ARG 40 HH21 ARG 40 -18.138 11.394 -0.928 319 HH22 ARG 40 HH22 ARG 40 -19.864 11.380 -0.872 320 H ALA 41 HN ALA 41 -12.507 10.414 4.951 321 HA ALA 41 HA ALA 41 -11.946 11.484 2.413 322 HB1 ALA 41 HB1 ALA 41 -10.116 11.422 4.811 323 HB2 ALA 41 HB2 ALA 41 -11.348 12.649 4.495 324 HB3 ALA 41 HB3 ALA 41 -9.965 12.474 3.406 325 H ALA 42 HN ALA 42 -10.658 8.728 4.087 326 HA ALA 42 HA ALA 42 -8.550 8.338 2.200 327 HB1 ALA 42 HB1 ALA 42 -9.670 6.320 4.177 328 HB2 ALA 42 HB2 ALA 42 -8.382 7.467 4.514 329 HB3 ALA 42 HB3 ALA 42 -8.154 6.234 3.267 330 H ALA 43 HN ALA 43 -11.806 7.052 2.667 331 HA ALA 43 HA ALA 43 -11.793 5.122 0.600 332 HB1 ALA 43 HB1 ALA 43 -14.205 5.143 0.803 333 HB2 ALA 43 HB2 ALA 43 -14.136 6.667 1.685 334 HB3 ALA 43 HB3 ALA 43 -13.474 5.202 2.409 335 H GLU 44 HN GLU 44 -12.806 8.475 0.698 336 HA GLU 44 HA GLU 44 -13.893 8.727 -1.844 337 HB2 GLU 44 HB2 GLU 44 -13.879 10.347 0.194 338 HB3 GLU 44 HB1 GLU 44 -12.363 10.927 -0.467 339 HG2 GLU 44 HG2 GLU 44 -14.096 12.388 -1.190 340 HG3 GLU 44 HG1 GLU 44 -13.556 11.453 -2.586 341 H PHE 45 HN PHE 45 -10.667 9.009 -0.618 342 HA PHE 45 HA PHE 45 -9.367 9.887 -2.962 343 HB2 PHE 45 HB2 PHE 45 -8.457 10.270 -0.729 344 HB3 PHE 45 HB1 PHE 45 -8.364 8.541 -0.460 345 HD1 PHE 45 HD2 PHE 45 -7.056 11.223 -2.659 346 HD2 PHE 45 HD1 PHE 45 -6.436 7.380 -0.935 347 HE1 PHE 45 HE2 PHE 45 -4.761 11.202 -3.545 348 HE2 PHE 45 HE1 PHE 45 -4.144 7.360 -1.825 349 HZ PHE 45 HZ PHE 45 -3.305 9.271 -3.125 350 H VAL 46 HN VAL 46 -9.283 6.708 -1.315 351 HA VAL 46 HA VAL 46 -7.823 5.361 -3.308 352 HB VAL 46 HB VAL 46 -7.915 4.436 -1.059 353 HG11 VAL 46 HG11 VAL 46 -9.913 3.231 -0.373 354 HG12 VAL 46 HG12 VAL 46 -10.806 4.095 -1.652 355 HG13 VAL 46 HG13 VAL 46 -10.013 4.995 -0.324 356 HG21 VAL 46 HG21 VAL 46 -7.639 2.911 -2.983 357 HG22 VAL 46 HG22 VAL 46 -9.365 2.507 -2.790 358 HG23 VAL 46 HG23 VAL 46 -8.220 2.170 -1.487 359 H GLY 47 HN GLY 47 -11.292 5.779 -3.046 360 HA2 GLY 47 HA2 GLY 47 -11.933 3.872 -4.995 361 HA3 GLY 47 HA1 GLY 47 -12.961 5.227 -4.526 362 H SER 48 HN SER 48 -10.740 7.078 -5.272 363 HA SER 48 HA SER 48 -11.586 7.413 -8.010 364 HB2 SER 48 HB2 SER 48 -9.729 9.098 -6.335 365 HB3 SER 48 HB1 SER 48 -10.527 9.572 -7.836 366 HG SER 48 HG SER 48 -11.594 9.263 -5.254 367 H VAL 49 HN VAL 49 -8.813 6.261 -6.292 368 HA VAL 49 HA VAL 49 -7.152 6.356 -8.709 369 HB VAL 49 HB VAL 49 -5.234 5.867 -7.195 370 HG11 VAL 49 HG11 VAL 49 -6.933 8.187 -6.338 371 HG12 VAL 49 HG12 VAL 49 -5.818 8.176 -7.712 372 HG13 VAL 49 HG13 VAL 49 -5.197 8.032 -6.058 373 HG21 VAL 49 HG21 VAL 49 -7.255 6.197 -5.003 374 HG22 VAL 49 HG22 VAL 49 -5.518 5.947 -4.781 375 HG23 VAL 49 HG23 VAL 49 -6.529 4.663 -5.467 376 H ASN 50 HN ASN 50 -9.325 4.463 -7.739 377 HA ASN 50 HA ASN 50 -7.904 1.969 -7.522 378 HB2 ASN 50 HB2 ASN 50 -10.477 2.890 -6.788 379 HB3 ASN 50 HB1 ASN 50 -10.716 1.591 -7.955 380 HD21 ASN 50 HD21 ASN 50 -8.109 1.918 -5.630 381 HD22 ASN 50 HD22 ASN 50 -8.516 0.497 -4.748 382 H GLY 51 HN GLY 51 -8.623 0.143 -8.977 383 HA2 GLY 51 HA2 GLY 51 -8.408 0.970 -11.729 384 HA3 GLY 51 HA1 GLY 51 -8.426 -0.682 -11.119 385 H GLY 52 HN GLY 52 -10.365 2.028 -12.047 386 HA2 GLY 52 HA2 GLY 52 -12.463 2.035 -13.014 387 HA3 GLY 52 HA1 GLY 52 -12.567 0.298 -12.746 388 H ASN 53 HN ASN 53 -13.499 -0.460 -10.969 389 HA ASN 53 HA ASN 53 -15.172 1.345 -9.438 390 HB2 ASN 53 HB2 ASN 53 -16.089 -0.783 -10.297 391 HB3 ASN 53 HB1 ASN 53 -14.907 -1.668 -9.348 392 HD21 ASN 53 HD21 ASN 53 -16.404 -2.742 -8.204 393 HD22 ASN 53 HD22 ASN 53 -17.427 -2.036 -7.004 394 H ARG 54 HN ARG 54 -15.049 1.550 -7.205 395 HA ARG 54 HA ARG 54 -12.526 1.064 -5.978 396 HB2 ARG 54 HB2 ARG 54 -13.477 2.076 -3.919 397 HB3 ARG 54 HB1 ARG 54 -13.781 3.064 -5.328 398 HG2 ARG 54 HG2 ARG 54 -15.830 1.315 -3.956 399 HG3 ARG 54 HG1 ARG 54 -15.649 3.050 -3.725 400 HD2 ARG 54 HD2 ARG 54 -16.558 1.572 -6.194 401 HD3 ARG 54 HD1 ARG 54 -17.455 2.724 -5.223 402 HE ARG 54 HE ARG 54 -15.378 4.214 -6.068 403 HH11 ARG 54 HH11 ARG 54 -17.658 2.186 -7.906 404 HH12 ARG 54 HH12 ARG 54 -17.665 3.204 -9.267 405 HH21 ARG 54 HH21 ARG 54 -15.331 5.558 -7.990 406 HH22 ARG 54 HH22 ARG 54 -16.298 5.160 -9.324 407 H THR 55 HN THR 55 -11.937 -0.848 -5.600 408 HA THR 55 HA THR 55 -13.551 -2.719 -4.060 409 HB THR 55 HB THR 55 -14.434 -2.967 -6.336 410 HG1 THR 55 HG1 THR 55 -13.060 -5.006 -5.057 411 HG21 THR 55 HG21 THR 55 -11.609 -3.707 -7.118 412 HG22 THR 55 HG22 THR 55 -12.390 -2.207 -7.511 413 HG23 THR 55 HG23 THR 55 -13.014 -3.722 -8.195 414 H VAL 56 HN VAL 56 -10.480 -1.538 -5.063 415 HA VAL 56 HA VAL 56 -9.222 -3.930 -4.004 416 HB VAL 56 HB VAL 56 -7.244 -3.441 -5.557 417 HG11 VAL 56 HG11 VAL 56 -8.233 -4.707 -7.427 418 HG12 VAL 56 HG12 VAL 56 -9.832 -4.452 -6.730 419 HG13 VAL 56 HG13 VAL 56 -8.626 -5.392 -5.856 420 HG21 VAL 56 HG21 VAL 56 -9.376 -1.945 -7.062 421 HG22 VAL 56 HG22 VAL 56 -7.789 -2.377 -7.700 422 HG23 VAL 56 HG23 VAL 56 -7.922 -1.253 -6.345 423 HA PRO 57 HA PRO 57 -6.993 -1.412 -1.150 424 HB2 PRO 57 HB2 PRO 57 -4.625 -2.879 -1.156 425 HB3 PRO 57 HB1 PRO 57 -6.041 -3.285 -0.190 426 HG2 PRO 57 HG2 PRO 57 -5.184 -4.381 -2.829 427 HG3 PRO 57 HG1 PRO 57 -5.858 -5.231 -1.424 428 HD2 PRO 57 HD2 PRO 57 -7.365 -4.669 -3.546 429 HD3 PRO 57 HD1 PRO 57 -8.030 -4.531 -1.901 430 H THR 58 HN THR 58 -5.682 0.322 -1.321 431 HA THR 58 HA THR 58 -3.857 0.470 -3.614 432 HB THR 58 HB THR 58 -5.474 2.798 -2.525 433 HG1 THR 58 HG1 THR 58 -6.448 0.851 -3.763 434 HG21 THR 58 HG21 THR 58 -3.917 2.461 -5.101 435 HG22 THR 58 HG22 THR 58 -3.411 3.441 -3.703 436 HG23 THR 58 HG23 THR 58 -4.854 3.872 -4.624 437 H VAL 59 HN VAL 59 -1.856 1.345 -3.097 438 HA VAL 59 HA VAL 59 -1.449 1.908 -0.252 439 HB VAL 59 HB VAL 59 0.968 1.520 -0.670 440 HG11 VAL 59 HG11 VAL 59 0.842 -0.895 -1.088 441 HG12 VAL 59 HG12 VAL 59 -0.863 -0.682 -1.538 442 HG13 VAL 59 HG13 VAL 59 -0.316 -0.326 0.114 443 HG21 VAL 59 HG21 VAL 59 0.072 0.713 -3.417 444 HG22 VAL 59 HG22 VAL 59 1.704 0.502 -2.760 445 HG23 VAL 59 HG23 VAL 59 1.053 2.126 -3.018 446 H LYS 60 HN LYS 60 -0.844 3.842 0.400 447 HA LYS 60 HA LYS 60 -0.024 5.781 -1.657 448 HB2 LYS 60 HB2 LYS 60 -2.092 6.388 -0.222 449 HB3 LYS 60 HB1 LYS 60 -0.983 6.461 1.133 450 HG2 LYS 60 HG2 LYS 60 0.291 8.209 0.014 451 HG3 LYS 60 HG1 LYS 60 -0.789 8.118 -1.363 452 HD2 LYS 60 HD2 LYS 60 -1.572 9.972 -0.170 453 HD3 LYS 60 HD1 LYS 60 -2.666 8.678 0.305 454 HE2 LYS 60 HE2 LYS 60 -0.266 9.552 1.902 455 HE3 LYS 60 HE1 LYS 60 -1.901 10.171 2.159 456 HZ1 LYS 60 HZ1 LYS 60 -2.546 7.850 2.720 457 HZ2 LYS 60 HZ2 LYS 60 -1.427 8.530 3.742 458 HZ3 LYS 60 HZ3 LYS 60 -0.893 7.411 2.631 459 H PHE 61 HN PHE 61 2.062 5.982 -1.687 460 HA PHE 61 HA PHE 61 3.692 5.141 0.539 461 HB2 PHE 61 HB2 PHE 61 4.479 6.420 -2.075 462 HB3 PHE 61 HB1 PHE 61 5.578 5.739 -0.890 463 HD1 PHE 61 HD2 PHE 61 3.078 5.003 -3.430 464 HD2 PHE 61 HD1 PHE 61 5.935 3.337 -0.746 465 HE1 PHE 61 HE2 PHE 61 2.927 2.876 -4.596 466 HE2 PHE 61 HE1 PHE 61 5.793 1.199 -1.922 467 HZ PHE 61 HZ PHE 61 4.288 0.958 -3.860 468 H ALA 62 HN ALA 62 5.325 6.498 1.455 469 HA ALA 62 HA ALA 62 4.289 8.870 2.496 470 HB1 ALA 62 HB1 ALA 62 5.911 7.438 3.645 471 HB2 ALA 62 HB2 ALA 62 6.411 9.127 3.592 472 HB3 ALA 62 HB3 ALA 62 7.156 7.955 2.503 473 H ASP 63 HN ASP 63 5.814 8.399 -0.512 474 HA ASP 63 HA ASP 63 6.882 11.089 -0.660 475 HB2 ASP 63 HB2 ASP 63 7.699 10.526 -2.858 476 HB3 ASP 63 HB1 ASP 63 8.047 9.166 -1.806 477 H GLY 64 HN GLY 64 3.929 9.572 -1.107 478 HA2 GLY 64 HA2 GLY 64 1.971 10.913 -1.390 479 HA3 GLY 64 HA1 GLY 64 2.908 12.008 -2.389 480 H SER 65 HN SER 65 3.411 8.698 -3.074 481 HA SER 65 HA SER 65 1.718 9.021 -5.447 482 HB2 SER 65 HB2 SER 65 3.130 7.242 -6.439 483 HB3 SER 65 HB1 SER 65 4.069 8.650 -5.942 484 HG SER 65 HG SER 65 4.679 7.530 -4.066 485 H THR 66 HN THR 66 0.478 7.154 -6.196 486 HA THR 66 HA THR 66 -0.030 5.175 -4.114 487 HB THR 66 HB THR 66 -2.387 5.096 -5.157 488 HG1 THR 66 HG1 THR 66 -1.514 7.649 -5.963 489 HG21 THR 66 HG21 THR 66 -2.022 5.747 -2.861 490 HG22 THR 66 HG22 THR 66 -3.245 6.768 -3.598 491 HG23 THR 66 HG23 THR 66 -1.602 7.392 -3.358 492 H LEU 67 HN LEU 67 -0.271 3.139 -4.819 493 HA LEU 67 HA LEU 67 -0.459 2.700 -7.704 494 HB2 LEU 67 HB2 LEU 67 1.227 1.054 -5.780 495 HB3 LEU 67 HB1 LEU 67 0.859 0.593 -7.417 496 HG LEU 67 HG LEU 67 2.562 2.940 -6.577 497 HD11 LEU 67 HD11 LEU 67 4.396 1.637 -7.515 498 HD12 LEU 67 HD12 LEU 67 3.281 0.340 -7.923 499 HD13 LEU 67 HD13 LEU 67 3.604 0.711 -6.235 500 HD21 LEU 67 HD21 LEU 67 3.096 3.119 -8.967 501 HD22 LEU 67 HD22 LEU 67 1.400 3.449 -8.647 502 HD23 LEU 67 HD23 LEU 67 1.884 1.889 -9.329 503 H THR 68 HN THR 68 -2.163 1.549 -8.227 504 HA THR 68 HA THR 68 -3.978 0.564 -6.330 505 HB THR 68 HB THR 68 -3.746 -0.228 -9.248 506 HG1 THR 68 HG1 THR 68 -5.000 2.178 -8.267 507 HG21 THR 68 HG21 THR 68 -5.530 -1.305 -7.926 508 HG22 THR 68 HG22 THR 68 -6.204 -0.211 -9.133 509 HG23 THR 68 HG23 THR 68 -6.121 0.284 -7.442 510 H ASN 69 HN ASN 69 -4.374 -1.655 -5.765 511 HA ASN 69 HA ASN 69 -2.875 -3.210 -4.601 512 HB2 ASN 69 HB2 ASN 69 -3.827 -5.362 -5.412 513 HB3 ASN 69 HB1 ASN 69 -5.012 -4.130 -5.046 514 HD21 ASN 69 HD21 ASN 69 -5.166 -6.537 -6.756 515 HD22 ASN 69 HD22 ASN 69 -5.630 -5.983 -8.320 516 HA PRO 70 HA PRO 70 0.710 -4.168 -7.147 517 HB2 PRO 70 HB2 PRO 70 2.454 -3.051 -5.385 518 HB3 PRO 70 HB1 PRO 70 1.677 -2.156 -6.691 519 HG2 PRO 70 HG2 PRO 70 1.285 -1.859 -3.844 520 HG3 PRO 70 HG1 PRO 70 0.566 -0.915 -5.159 521 HD2 PRO 70 HD2 PRO 70 -0.561 -3.144 -3.599 522 HD3 PRO 70 HD1 PRO 70 -1.375 -1.883 -4.552 523 H SER 71 HN SER 71 2.391 -5.614 -6.790 524 HA SER 71 HA SER 71 1.960 -7.474 -4.671 525 HB2 SER 71 HB2 SER 71 3.948 -8.555 -5.877 526 HB3 SER 71 HB1 SER 71 2.461 -8.370 -6.820 527 HG SER 71 HG SER 71 4.787 -7.505 -7.538 528 H ALA 72 HN ALA 72 3.970 -8.212 -3.473 529 HA ALA 72 HA ALA 72 5.029 -6.115 -1.944 530 HB1 ALA 72 HB1 ALA 72 6.074 -8.936 -2.247 531 HB2 ALA 72 HB2 ALA 72 4.809 -8.416 -1.132 532 HB3 ALA 72 HB3 ALA 72 6.456 -7.817 -0.940 533 H ASP 73 HN ASP 73 6.285 -7.823 -4.693 534 HA ASP 73 HA ASP 73 8.830 -6.566 -4.676 535 HB2 ASP 73 HB2 ASP 73 9.014 -7.413 -7.052 536 HB3 ASP 73 HB1 ASP 73 8.745 -8.635 -5.818 537 H GLU 74 HN GLU 74 5.755 -5.538 -5.931 538 HA GLU 74 HA GLU 74 6.907 -3.498 -7.609 539 HB2 GLU 74 HB2 GLU 74 4.075 -4.029 -6.737 540 HB3 GLU 74 HB1 GLU 74 4.512 -2.594 -7.649 541 HG2 GLU 74 HG2 GLU 74 4.873 -5.445 -8.541 542 HG3 GLU 74 HG1 GLU 74 3.614 -4.337 -9.080 543 H VAL 75 HN VAL 75 5.370 -3.570 -4.434 544 HA VAL 75 HA VAL 75 5.527 -0.788 -4.086 545 HB VAL 75 HB VAL 75 5.259 -1.292 -1.560 546 HG11 VAL 75 HG11 VAL 75 2.924 -1.937 -1.845 547 HG12 VAL 75 HG12 VAL 75 3.273 -2.473 -3.482 548 HG13 VAL 75 HG13 VAL 75 3.380 -0.756 -3.079 549 HG21 VAL 75 HG21 VAL 75 4.780 -4.018 -2.672 550 HG22 VAL 75 HG22 VAL 75 4.566 -3.524 -0.989 551 HG23 VAL 75 HG23 VAL 75 6.192 -3.590 -1.703 552 H LYS 76 HN LYS 76 7.800 -3.325 -3.203 553 HA LYS 76 HA LYS 76 9.560 -1.769 -1.701 554 HB2 LYS 76 HB2 LYS 76 10.018 -4.230 -3.354 555 HB3 LYS 76 HB1 LYS 76 11.338 -3.443 -2.493 556 HG2 LYS 76 HG2 LYS 76 10.161 -3.797 -0.382 557 HG3 LYS 76 HG1 LYS 76 8.822 -4.542 -1.251 558 HD2 LYS 76 HD2 LYS 76 10.250 -6.261 -0.283 559 HD3 LYS 76 HD1 LYS 76 10.335 -6.320 -2.039 560 HE2 LYS 76 HE2 LYS 76 12.555 -6.614 -1.072 561 HE3 LYS 76 HE1 LYS 76 12.479 -5.097 -1.961 562 HZ1 LYS 76 HZ1 LYS 76 12.246 -5.353 0.992 563 HZ2 LYS 76 HZ2 LYS 76 12.299 -3.906 0.139 564 HZ3 LYS 76 HZ3 LYS 76 13.628 -4.918 0.167 565 H ALA 77 HN ALA 77 9.232 -2.070 -5.145 566 HA ALA 77 HA ALA 77 11.682 -1.020 -5.965 567 HB1 ALA 77 HB1 ALA 77 9.030 -0.831 -7.376 568 HB2 ALA 77 HB2 ALA 77 10.144 -2.193 -7.459 569 HB3 ALA 77 HB3 ALA 77 10.615 -0.627 -8.121 570 H LYS 78 HN LYS 78 8.692 0.656 -5.098 571 HA LYS 78 HA LYS 78 9.998 3.188 -5.603 572 HB2 LYS 78 HB2 LYS 78 7.260 2.633 -4.486 573 HB3 LYS 78 HB1 LYS 78 7.919 4.251 -4.666 574 HG2 LYS 78 HG2 LYS 78 8.237 3.718 -7.110 575 HG3 LYS 78 HG1 LYS 78 7.298 2.261 -6.817 576 HD2 LYS 78 HD2 LYS 78 5.711 3.752 -7.601 577 HD3 LYS 78 HD1 LYS 78 5.543 3.844 -5.846 578 HE2 LYS 78 HE2 LYS 78 7.134 5.822 -7.508 579 HE3 LYS 78 HE1 LYS 78 5.460 6.071 -7.038 580 HZ1 LYS 78 HZ1 LYS 78 6.928 7.263 -5.563 581 HZ2 LYS 78 HZ2 LYS 78 7.815 5.909 -5.208 582 HZ3 LYS 78 HZ3 LYS 78 6.175 6.041 -4.718 583 H LEU 79 HN LEU 79 8.941 1.281 -2.893 584 HA LEU 79 HA LEU 79 9.259 3.036 -0.796 585 HB2 LEU 79 HB2 LEU 79 8.098 0.943 -0.603 586 HB3 LEU 79 HB1 LEU 79 9.577 0.057 -0.911 587 HG LEU 79 HG LEU 79 10.475 0.773 1.203 588 HD11 LEU 79 HD11 LEU 79 7.796 2.118 1.626 589 HD12 LEU 79 HD12 LEU 79 9.357 2.926 1.455 590 HD13 LEU 79 HD13 LEU 79 9.040 1.915 2.859 591 HD21 LEU 79 HD21 LEU 79 8.978 -0.524 2.661 592 HD22 LEU 79 HD22 LEU 79 9.259 -1.305 1.106 593 HD23 LEU 79 HD23 LEU 79 7.739 -0.464 1.408 594 H VAL 80 HN VAL 80 11.721 0.960 -2.277 595 HA VAL 80 HA VAL 80 13.758 1.281 -0.413 596 HB VAL 80 HB VAL 80 13.881 -0.369 -2.232 597 HG11 VAL 80 HG11 VAL 80 14.488 0.241 -4.523 598 HG12 VAL 80 HG12 VAL 80 14.321 1.944 -4.098 599 HG13 VAL 80 HG13 VAL 80 12.911 0.882 -4.053 600 HG21 VAL 80 HG21 VAL 80 16.233 -0.107 -2.892 601 HG22 VAL 80 HG22 VAL 80 15.982 0.253 -1.185 602 HG23 VAL 80 HG23 VAL 80 16.190 1.566 -2.340 603 H LYS 81 HN LYS 81 12.797 3.417 -3.013 604 HA LYS 81 HA LYS 81 15.081 5.157 -2.771 605 HB2 LYS 81 HB2 LYS 81 12.467 5.515 -4.218 606 HB3 LYS 81 HB1 LYS 81 13.846 6.591 -4.335 607 HG2 LYS 81 HG2 LYS 81 15.160 4.749 -5.285 608 HG3 LYS 81 HG1 LYS 81 13.723 3.720 -5.219 609 HD2 LYS 81 HD2 LYS 81 12.543 5.294 -6.695 610 HD3 LYS 81 HD1 LYS 81 13.982 6.303 -6.752 611 HE2 LYS 81 HE2 LYS 81 13.805 3.456 -7.709 612 HE3 LYS 81 HE1 LYS 81 13.785 4.892 -8.732 613 HZ1 LYS 81 HZ1 LYS 81 16.026 4.053 -6.975 614 HZ2 LYS 81 HZ2 LYS 81 16.003 5.432 -7.946 615 HZ3 LYS 81 HZ3 LYS 81 15.969 3.909 -8.651 616 H ILE 82 HN ILE 82 11.872 4.979 -1.545 617 HA ILE 82 HA ILE 82 11.633 7.724 -0.774 618 HB ILE 82 HB ILE 82 10.036 5.326 0.126 619 HG12 ILE 82 HG12 ILE 82 9.476 7.303 -2.108 620 HG13 ILE 82 HG11 ILE 82 9.996 5.630 -2.308 621 HG21 ILE 82 HG21 ILE 82 8.283 6.975 0.697 622 HG22 ILE 82 HG22 ILE 82 9.384 8.283 0.266 623 HG23 ILE 82 HG23 ILE 82 9.758 7.233 1.634 624 HD11 ILE 82 HD11 ILE 82 7.942 4.863 -1.302 625 HD12 ILE 82 HD12 ILE 82 7.636 5.896 -2.703 626 HD13 ILE 82 HD13 ILE 82 7.440 6.538 -1.069 627 H ALA 83 HN ALA 83 12.081 4.700 1.021 628 HA ALA 83 HA ALA 83 12.418 6.167 3.469 629 HB1 ALA 83 HB1 ALA 83 12.660 4.020 4.536 630 HB2 ALA 83 HB2 ALA 83 12.785 3.233 2.964 631 HB3 ALA 83 HB3 ALA 83 11.269 4.028 3.450 632 H GLY 84 HN GLY 84 14.483 4.506 1.188 633 HA2 GLY 84 HA2 GLY 84 16.704 4.545 0.914 634 HA3 GLY 84 HA1 GLY 84 16.904 5.747 2.250 635 H LEU 85 HN LEU 85 16.466 2.652 1.098 636 HA LEU 85 HA LEU 85 17.791 1.517 3.392 637 HB2 LEU 85 HB2 LEU 85 15.524 1.002 3.726 638 HB3 LEU 85 HB1 LEU 85 15.248 0.735 2.012 639 HG LEU 85 HG LEU 85 16.805 -1.003 2.129 640 HD11 LEU 85 HD11 LEU 85 17.087 -2.222 4.392 641 HD12 LEU 85 HD12 LEU 85 16.383 -0.792 5.144 642 HD13 LEU 85 HD13 LEU 85 17.913 -0.668 4.275 643 HD21 LEU 85 HD21 LEU 85 14.215 -1.359 3.612 644 HD22 LEU 85 HD22 LEU 85 15.161 -2.717 2.997 645 HD23 LEU 85 HD23 LEU 85 14.510 -1.520 1.882 646 H GLU 86 HN GLU 86 19.529 0.505 2.654 647 HA GLU 86 HA GLU 86 21.040 -0.487 1.391 648 HB2 GLU 86 HB2 GLU 86 18.649 -1.622 -0.045 649 HB3 GLU 86 HB1 GLU 86 20.301 -2.169 -0.307 650 HG2 GLU 86 HG2 GLU 86 18.736 -2.323 2.262 651 HG3 GLU 86 HG1 GLU 86 19.157 -3.668 1.200 652 H HIS 87 HN HIS 87 21.887 1.390 0.698 653 HA HIS 87 HA HIS 87 21.143 2.356 -1.977 654 HB2 HIS 87 HB2 HIS 87 23.137 3.532 -0.006 655 HB3 HIS 87 HB1 HIS 87 22.565 4.293 -1.479 656 HD1 HIS 87 HD1 HIS 87 20.427 5.790 -1.224 657 HD2 HIS 87 HD2 HIS 87 21.240 3.418 2.107 658 HE1 HIS 87 HE1 HIS 87 18.926 6.595 0.593 659 H HIS 88 HN HIS 88 22.834 2.416 -3.601 660 HA HIS 88 HA HIS 88 24.884 0.436 -2.999 661 HB2 HIS 88 HB2 HIS 88 23.886 1.476 -5.663 662 HB3 HIS 88 HB1 HIS 88 25.234 0.357 -5.493 663 HD1 HIS 88 HD1 HIS 88 24.631 -2.113 -4.716 664 HD2 HIS 88 HD2 HIS 88 21.364 0.381 -5.354 665 HE1 HIS 88 HE1 HIS 88 22.616 -3.615 -4.845 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 14.591 7.445 9.487 2 H2 MET 1 HT2 MET 1 14.847 7.492 7.831 3 H3 MET 1 HT3 MET 1 15.726 6.405 8.786 4 HA MET 1 HA MET 1 13.938 5.320 7.562 5 HB2 MET 1 HB2 MET 1 14.597 4.351 9.704 6 HB3 MET 1 HB1 MET 1 13.568 5.472 10.574 7 HG2 MET 1 HG2 MET 1 12.606 3.218 10.453 8 HG3 MET 1 HG1 MET 1 11.595 4.419 9.652 9 HE1 MET 1 HE1 MET 1 10.236 2.456 8.468 10 HE2 MET 1 HE2 MET 1 11.263 1.269 9.269 11 HE3 MET 1 HE3 MET 1 10.999 1.172 7.529 12 H VAL 2 HN VAL 2 11.746 5.226 7.006 13 HA VAL 2 HA VAL 2 10.365 7.734 7.469 14 HB VAL 2 HB VAL 2 9.627 5.454 5.602 15 HG11 VAL 2 HG11 VAL 2 8.613 8.287 5.754 16 HG12 VAL 2 HG12 VAL 2 7.728 6.835 6.224 17 HG13 VAL 2 HG13 VAL 2 8.164 7.096 4.534 18 HG21 VAL 2 HG21 VAL 2 10.492 6.868 3.791 19 HG22 VAL 2 HG22 VAL 2 11.761 6.450 4.942 20 HG23 VAL 2 HG23 VAL 2 11.033 8.055 4.978 21 H THR 3 HN THR 3 8.748 7.830 8.915 22 HA THR 3 HA THR 3 8.179 5.511 10.448 23 HB THR 3 HB THR 3 8.377 7.748 11.506 24 HG1 THR 3 HG1 THR 3 7.012 5.980 12.356 25 HG21 THR 3 HG21 THR 3 6.523 9.367 11.368 26 HG22 THR 3 HG22 THR 3 5.728 8.344 10.175 27 HG23 THR 3 HG23 THR 3 7.266 9.112 9.789 28 H ALA 4 HN ALA 4 6.263 7.391 8.092 29 HA ALA 4 HA ALA 4 4.405 5.138 8.118 30 HB1 ALA 4 HB1 ALA 4 2.689 6.611 7.183 31 HB2 ALA 4 HB2 ALA 4 3.825 7.951 7.153 32 HB3 ALA 4 HB3 ALA 4 3.295 7.282 8.699 33 H ALA 5 HN ALA 5 5.855 4.034 6.922 34 HA ALA 5 HA ALA 5 7.090 4.819 4.551 35 HB1 ALA 5 HB1 ALA 5 7.456 2.415 4.214 36 HB2 ALA 5 HB2 ALA 5 6.320 2.065 5.515 37 HB3 ALA 5 HB3 ALA 5 7.822 2.919 5.863 38 H LEU 6 HN LEU 6 4.298 2.647 4.904 39 HA LEU 6 HA LEU 6 3.064 3.845 2.628 40 HB2 LEU 6 HB2 LEU 6 2.635 1.741 1.464 41 HB3 LEU 6 HB1 LEU 6 4.345 2.085 1.510 42 HG LEU 6 HG LEU 6 3.009 0.094 3.370 43 HD11 LEU 6 HD11 LEU 6 3.891 -1.630 1.888 44 HD12 LEU 6 HD12 LEU 6 4.405 -0.361 0.770 45 HD13 LEU 6 HD13 LEU 6 2.680 -0.618 1.091 46 HD21 LEU 6 HD21 LEU 6 5.190 0.934 4.096 47 HD22 LEU 6 HD22 LEU 6 5.880 0.478 2.540 48 HD23 LEU 6 HD23 LEU 6 5.272 -0.766 3.634 49 H THR 7 HN THR 7 1.014 3.946 2.802 50 HA THR 7 HA THR 7 -0.192 2.507 5.030 51 HB THR 7 HB THR 7 -1.011 5.147 3.789 52 HG1 THR 7 HG1 THR 7 0.623 4.380 5.915 53 HG21 THR 7 HG21 THR 7 -2.875 3.863 4.791 54 HG22 THR 7 HG22 THR 7 -2.508 5.311 5.726 55 HG23 THR 7 HG23 THR 7 -1.959 3.730 6.293 56 H ILE 8 HN ILE 8 -1.576 1.070 4.491 57 HA ILE 8 HA ILE 8 -2.521 0.828 1.764 58 HB ILE 8 HB ILE 8 -2.678 -1.024 4.151 59 HG12 ILE 8 HG12 ILE 8 -1.137 -1.304 1.580 60 HG13 ILE 8 HG11 ILE 8 -0.439 -0.725 3.094 61 HG21 ILE 8 HG21 ILE 8 -4.591 -1.371 2.949 62 HG22 ILE 8 HG22 ILE 8 -3.489 -2.713 2.550 63 HG23 ILE 8 HG23 ILE 8 -3.757 -1.393 1.394 64 HD11 ILE 8 HD11 ILE 8 -0.952 -2.858 4.139 65 HD12 ILE 8 HD12 ILE 8 0.046 -3.060 2.693 66 HD13 ILE 8 HD13 ILE 8 -1.678 -3.421 2.632 67 H TYR 9 HN TYR 9 -4.431 1.536 1.210 68 HA TYR 9 HA TYR 9 -6.512 1.946 3.244 69 HB2 TYR 9 HB2 TYR 9 -6.262 2.981 0.438 70 HB3 TYR 9 HB1 TYR 9 -7.594 3.361 1.524 71 HD1 TYR 9 HD2 TYR 9 -6.308 4.105 3.977 72 HD2 TYR 9 HD1 TYR 9 -5.105 4.825 -0.001 73 HE1 TYR 9 HE2 TYR 9 -5.038 6.051 4.762 74 HE2 TYR 9 HE1 TYR 9 -3.769 6.816 0.755 75 HH TYR 9 HH TYR 9 -3.833 8.403 2.667 76 H THR 10 HN THR 10 -7.999 0.416 3.335 77 HA THR 10 HA THR 10 -9.117 -0.709 0.978 78 HB THR 10 HB THR 10 -7.029 -2.045 1.120 79 HG1 THR 10 HG1 THR 10 -9.137 -3.745 1.949 80 HG21 THR 10 HG21 THR 10 -8.044 -2.881 3.835 81 HG22 THR 10 HG22 THR 10 -6.643 -1.862 3.535 82 HG23 THR 10 HG23 THR 10 -6.633 -3.553 3.016 83 H THR 11 HN THR 11 -10.865 -2.181 1.551 84 HA THR 11 HA THR 11 -11.792 -1.943 4.307 85 HB THR 11 HB THR 11 -13.894 -2.908 2.797 86 HG1 THR 11 HG1 THR 11 -12.987 -2.485 0.818 87 HG21 THR 11 HG21 THR 11 -14.063 -1.177 4.520 88 HG22 THR 11 HG22 THR 11 -14.843 -0.636 3.031 89 HG23 THR 11 HG23 THR 11 -13.241 -0.035 3.465 90 H SER 12 HN SER 12 -12.987 -3.934 5.048 91 HA SER 12 HA SER 12 -11.235 -6.131 4.756 92 HB2 SER 12 HB2 SER 12 -13.868 -5.870 6.181 93 HB3 SER 12 HB1 SER 12 -12.750 -7.230 6.375 94 HG SER 12 HG SER 12 -11.896 -4.564 6.748 95 H TRP 13 HN TRP 13 -14.099 -5.248 3.078 96 HA TRP 13 HA TRP 13 -14.657 -7.953 2.252 97 HB2 TRP 13 HB2 TRP 13 -16.408 -6.902 0.772 98 HB3 TRP 13 HB1 TRP 13 -16.606 -6.620 2.493 99 HD1 TRP 13 HD1 TRP 13 -16.488 -4.167 3.337 100 HE1 TRP 13 HE1 TRP 13 -16.520 -1.904 2.181 101 HE3 TRP 13 HE3 TRP 13 -15.529 -5.708 -1.439 102 HZ2 TRP 13 HZ2 TRP 13 -16.177 -0.867 -0.437 103 HZ3 TRP 13 HZ3 TRP 13 -15.398 -4.010 -3.215 104 HH2 TRP 13 HH2 TRP 13 -15.717 -1.640 -2.723 105 H CYS 14 HN CYS 14 -12.319 -5.903 1.386 106 HA CYS 14 HA CYS 14 -12.347 -6.354 -1.449 107 HB2 CYS 14 HB2 CYS 14 -10.204 -5.281 0.394 108 HB3 CYS 14 HB1 CYS 14 -10.155 -5.231 -1.366 109 HG CYS 14 HG CYS 14 -11.830 -3.353 -1.763 110 H GLY 15 HN GLY 15 -11.580 -8.129 -2.408 111 HA2 GLY 15 HA2 GLY 15 -10.828 -10.394 -0.915 112 HA3 GLY 15 HA1 GLY 15 -10.756 -10.242 -2.659 113 H TYR 16 HN TYR 16 -8.885 -8.047 -2.665 114 HA TYR 16 HA TYR 16 -6.566 -9.683 -2.266 115 HB2 TYR 16 HB2 TYR 16 -6.790 -6.951 -3.471 116 HB3 TYR 16 HB1 TYR 16 -5.281 -7.830 -3.297 117 HD1 TYR 16 HD1 TYR 16 -5.960 -10.530 -4.106 118 HD2 TYR 16 HD2 TYR 16 -7.285 -6.831 -5.718 119 HE1 TYR 16 HE1 TYR 16 -6.380 -11.627 -6.262 120 HE2 TYR 16 HE2 TYR 16 -7.733 -7.917 -7.862 121 HH TYR 16 HH TYR 16 -7.761 -11.296 -8.196 122 H CYS 17 HN CYS 17 -8.167 -7.676 -0.242 123 HA CYS 17 HA CYS 17 -6.246 -6.082 0.971 124 HB2 CYS 17 HB2 CYS 17 -8.547 -5.829 1.578 125 HB3 CYS 17 HB1 CYS 17 -8.633 -7.476 2.189 126 HG CYS 17 HG CYS 17 -7.878 -6.942 4.617 127 H LEU 18 HN LEU 18 -7.223 -9.361 2.085 128 HA LEU 18 HA LEU 18 -5.094 -9.470 3.955 129 HB2 LEU 18 HB2 LEU 18 -5.737 -11.685 4.481 130 HB3 LEU 18 HB1 LEU 18 -7.207 -10.798 4.172 131 HG LEU 18 HG LEU 18 -5.921 -12.755 2.255 132 HD11 LEU 18 HD11 LEU 18 -6.749 -13.830 4.256 133 HD12 LEU 18 HD12 LEU 18 -7.754 -14.214 2.859 134 HD13 LEU 18 HD13 LEU 18 -8.313 -13.041 4.052 135 HD21 LEU 18 HD21 LEU 18 -8.649 -11.476 2.184 136 HD22 LEU 18 HD22 LEU 18 -7.992 -12.637 1.026 137 HD23 LEU 18 HD23 LEU 18 -7.288 -11.028 1.155 138 H ARG 19 HN ARG 19 -5.268 -10.149 0.631 139 HA ARG 19 HA ARG 19 -3.110 -12.007 0.421 140 HB2 ARG 19 HB2 ARG 19 -4.083 -10.036 -1.665 141 HB3 ARG 19 HB1 ARG 19 -3.138 -11.486 -1.966 142 HG2 ARG 19 HG2 ARG 19 -5.971 -11.391 -0.944 143 HG3 ARG 19 HG1 ARG 19 -5.467 -11.798 -2.584 144 HD2 ARG 19 HD2 ARG 19 -4.329 -13.761 -1.785 145 HD3 ARG 19 HD1 ARG 19 -4.695 -13.331 -0.113 146 HE ARG 19 HE ARG 19 -7.106 -13.420 -1.391 147 HH11 ARG 19 HH11 ARG 19 -4.484 -15.752 -0.933 148 HH12 ARG 19 HH12 ARG 19 -5.516 -17.095 -0.850 149 HH21 ARG 19 HH21 ARG 19 -8.510 -15.257 -1.270 150 HH22 ARG 19 HH22 ARG 19 -7.867 -16.818 -1.035 151 H LEU 20 HN LEU 20 -3.434 -8.528 -0.031 152 HA LEU 20 HA LEU 20 -0.735 -7.975 -0.471 153 HB2 LEU 20 HB2 LEU 20 -2.471 -6.432 -1.108 154 HB3 LEU 20 HB1 LEU 20 -3.010 -6.277 0.544 155 HG LEU 20 HG LEU 20 -1.019 -5.033 1.124 156 HD11 LEU 20 HD11 LEU 20 0.595 -4.338 -0.596 157 HD12 LEU 20 HD12 LEU 20 -0.207 -5.379 -1.770 158 HD13 LEU 20 HD13 LEU 20 0.607 -6.083 -0.370 159 HD21 LEU 20 HD21 LEU 20 -1.419 -3.032 -0.227 160 HD22 LEU 20 HD22 LEU 20 -2.923 -3.807 0.266 161 HD23 LEU 20 HD23 LEU 20 -2.329 -4.002 -1.384 162 H LYS 21 HN LYS 21 -2.658 -8.095 2.484 163 HA LYS 21 HA LYS 21 -0.748 -7.107 4.309 164 HB2 LYS 21 HB2 LYS 21 -2.765 -9.288 4.868 165 HB3 LYS 21 HB1 LYS 21 -1.951 -8.300 6.062 166 HG2 LYS 21 HG2 LYS 21 -4.023 -7.419 4.066 167 HG3 LYS 21 HG1 LYS 21 -4.222 -7.575 5.810 168 HD2 LYS 21 HD2 LYS 21 -2.496 -5.780 6.078 169 HD3 LYS 21 HD1 LYS 21 -2.507 -5.596 4.324 170 HE2 LYS 21 HE2 LYS 21 -3.961 -3.944 5.352 171 HE3 LYS 21 HE1 LYS 21 -4.911 -5.093 4.390 172 HZ1 LYS 21 HZ1 LYS 21 -4.553 -5.118 7.326 173 HZ2 LYS 21 HZ2 LYS 21 -5.497 -6.233 6.477 174 HZ3 LYS 21 HZ3 LYS 21 -5.947 -4.623 6.524 175 H THR 22 HN THR 22 -1.451 -10.465 3.359 176 HA THR 22 HA THR 22 0.572 -11.515 4.981 177 HB THR 22 HB THR 22 0.200 -13.637 3.566 178 HG1 THR 22 HG1 THR 22 -2.102 -12.238 2.716 179 HG21 THR 22 HG21 THR 22 -0.821 -13.260 5.774 180 HG22 THR 22 HG22 THR 22 -1.931 -14.089 4.688 181 HG23 THR 22 HG23 THR 22 -2.132 -12.366 5.004 182 H ALA 23 HN ALA 23 0.532 -10.455 1.668 183 HA ALA 23 HA ALA 23 2.984 -11.576 0.876 184 HB1 ALA 23 HB1 ALA 23 2.932 -9.922 -0.936 185 HB2 ALA 23 HB2 ALA 23 1.633 -9.057 -0.105 186 HB3 ALA 23 HB3 ALA 23 1.357 -10.683 -0.716 187 H LEU 24 HN LEU 24 2.167 -8.448 2.336 188 HA LEU 24 HA LEU 24 4.872 -7.511 2.281 189 HB2 LEU 24 HB2 LEU 24 2.609 -6.513 3.995 190 HB3 LEU 24 HB1 LEU 24 4.111 -5.684 3.710 191 HG LEU 24 HG LEU 24 1.846 -6.114 1.777 192 HD11 LEU 24 HD11 LEU 24 1.487 -4.380 3.384 193 HD12 LEU 24 HD12 LEU 24 1.827 -3.647 1.797 194 HD13 LEU 24 HD13 LEU 24 3.069 -3.693 3.040 195 HD21 LEU 24 HD21 LEU 24 4.529 -4.832 1.259 196 HD22 LEU 24 HD22 LEU 24 3.119 -4.721 0.216 197 HD23 LEU 24 HD23 LEU 24 3.885 -6.276 0.457 198 H THR 25 HN THR 25 2.891 -9.036 4.767 199 HA THR 25 HA THR 25 4.777 -8.658 6.804 200 HB THR 25 HB THR 25 2.284 -9.321 7.076 201 HG1 THR 25 HG1 THR 25 3.499 -9.238 8.887 202 HG21 THR 25 HG21 THR 25 3.421 -12.110 6.837 203 HG22 THR 25 HG22 THR 25 2.427 -11.338 5.623 204 HG23 THR 25 HG23 THR 25 1.747 -11.687 7.222 205 H ALA 26 HN ALA 26 4.560 -11.051 4.266 206 HA ALA 26 HA ALA 26 6.426 -12.899 5.404 207 HB1 ALA 26 HB1 ALA 26 4.744 -13.617 3.782 208 HB2 ALA 26 HB2 ALA 26 6.376 -13.970 3.209 209 HB3 ALA 26 HB3 ALA 26 5.491 -12.594 2.556 210 H ASN 27 HN ASN 27 6.617 -10.110 3.351 211 HA ASN 27 HA ASN 27 9.397 -10.669 2.712 212 HB2 ASN 27 HB2 ASN 27 7.423 -8.718 1.611 213 HB3 ASN 27 HB1 ASN 27 9.148 -8.429 1.404 214 HD21 ASN 27 HD21 ASN 27 6.492 -10.583 0.643 215 HD22 ASN 27 HD22 ASN 27 7.307 -11.399 -0.635 216 H ARG 28 HN ARG 28 8.131 -9.674 5.296 217 HA ARG 28 HA ARG 28 8.847 -8.591 7.166 218 HB2 ARG 28 HB2 ARG 28 11.478 -8.077 5.760 219 HB3 ARG 28 HB1 ARG 28 11.195 -8.228 7.484 220 HG2 ARG 28 HG2 ARG 28 11.109 -10.429 5.429 221 HG3 ARG 28 HG1 ARG 28 12.330 -10.171 6.668 222 HD2 ARG 28 HD2 ARG 28 10.724 -10.673 8.398 223 HD3 ARG 28 HD1 ARG 28 9.429 -10.798 7.202 224 HE ARG 28 HE ARG 28 11.656 -12.521 6.711 225 HH11 ARG 28 HH11 ARG 28 8.561 -12.286 8.447 226 HH12 ARG 28 HH12 ARG 28 8.281 -13.962 8.469 227 HH21 ARG 28 HH21 ARG 28 11.261 -14.818 6.736 228 HH22 ARG 28 HH22 ARG 28 9.876 -15.439 7.507 229 H ILE 29 HN ILE 29 7.490 -7.117 5.155 230 HA ILE 29 HA ILE 29 8.807 -4.552 4.942 231 HB ILE 29 HB ILE 29 6.116 -5.495 3.924 232 HG12 ILE 29 HG12 ILE 29 8.701 -5.037 2.414 233 HG13 ILE 29 HG11 ILE 29 8.117 -6.621 2.926 234 HG21 ILE 29 HG21 ILE 29 7.648 -2.976 3.276 235 HG22 ILE 29 HG22 ILE 29 6.219 -3.046 4.288 236 HG23 ILE 29 HG23 ILE 29 6.101 -3.448 2.564 237 HD11 ILE 29 HD11 ILE 29 7.700 -6.241 0.623 238 HD12 ILE 29 HD12 ILE 29 6.853 -4.731 0.969 239 HD13 ILE 29 HD13 ILE 29 6.165 -6.278 1.482 240 H ALA 30 HN ALA 30 8.360 -2.845 6.147 241 HA ALA 30 HA ALA 30 6.447 -3.032 8.327 242 HB1 ALA 30 HB1 ALA 30 7.486 -0.907 9.016 243 HB2 ALA 30 HB2 ALA 30 8.445 -0.945 7.528 244 HB3 ALA 30 HB3 ALA 30 8.682 -2.189 8.759 245 H TYR 31 HN TYR 31 4.461 -2.138 8.122 246 HA TYR 31 HA TYR 31 4.064 0.029 6.237 247 HB2 TYR 31 HB2 TYR 31 2.165 -1.119 5.134 248 HB3 TYR 31 HB1 TYR 31 3.700 -1.926 4.841 249 HD1 TYR 31 HD1 TYR 31 4.188 -4.056 5.937 250 HD2 TYR 31 HD2 TYR 31 0.395 -2.214 6.338 251 HE1 TYR 31 HE1 TYR 31 3.248 -6.193 6.739 252 HE2 TYR 31 HE2 TYR 31 -0.569 -4.337 7.142 253 HH TYR 31 HH TYR 31 1.414 -6.948 8.055 254 H ASP 32 HN ASP 32 1.656 0.642 6.258 255 HA ASP 32 HA ASP 32 0.514 0.307 8.929 256 HB2 ASP 32 HB2 ASP 32 1.580 2.561 8.677 257 HB3 ASP 32 HB1 ASP 32 0.549 2.851 7.280 258 H GLU 33 HN GLU 33 -1.722 0.095 8.902 259 HA GLU 33 HA GLU 33 -3.061 0.069 6.277 260 HB2 GLU 33 HB2 GLU 33 -4.325 -1.952 7.199 261 HB3 GLU 33 HB1 GLU 33 -2.684 -2.232 6.642 262 HG2 GLU 33 HG2 GLU 33 -1.861 -2.467 8.815 263 HG3 GLU 33 HG1 GLU 33 -3.263 -1.678 9.522 264 H VAL 34 HN VAL 34 -4.865 1.231 6.274 265 HA VAL 34 HA VAL 34 -6.327 1.427 8.742 266 HB VAL 34 HB VAL 34 -4.868 3.433 8.680 267 HG11 VAL 34 HG11 VAL 34 -4.630 3.732 6.309 268 HG12 VAL 34 HG12 VAL 34 -5.176 5.204 7.108 269 HG13 VAL 34 HG13 VAL 34 -6.326 4.232 6.197 270 HG21 VAL 34 HG21 VAL 34 -6.967 3.634 9.842 271 HG22 VAL 34 HG22 VAL 34 -7.778 4.042 8.320 272 HG23 VAL 34 HG23 VAL 34 -6.588 5.147 9.001 273 H ASP 35 HN ASP 35 -8.436 1.403 8.498 274 HA ASP 35 HA ASP 35 -9.535 0.381 6.098 275 HB2 ASP 35 HB2 ASP 35 -10.510 -0.399 8.039 276 HB3 ASP 35 HB1 ASP 35 -10.575 1.198 8.765 277 H ILE 36 HN ILE 36 -10.814 1.233 4.562 278 HA ILE 36 HA ILE 36 -10.870 4.115 4.339 279 HB ILE 36 HB ILE 36 -11.835 3.845 2.093 280 HG12 ILE 36 HG12 ILE 36 -11.468 0.878 2.552 281 HG13 ILE 36 HG11 ILE 36 -13.017 1.722 2.477 282 HG21 ILE 36 HG21 ILE 36 -9.479 4.045 2.369 283 HG22 ILE 36 HG22 ILE 36 -9.839 2.929 1.049 284 HG23 ILE 36 HG23 ILE 36 -9.326 2.306 2.618 285 HD11 ILE 36 HD11 ILE 36 -11.026 1.498 0.232 286 HD12 ILE 36 HD12 ILE 36 -12.598 2.307 0.168 287 HD13 ILE 36 HD13 ILE 36 -12.513 0.562 0.407 288 H GLU 37 HN GLU 37 -13.074 1.756 5.437 289 HA GLU 37 HA GLU 37 -15.422 3.069 4.577 290 HB2 GLU 37 HB2 GLU 37 -15.416 0.706 5.260 291 HB3 GLU 37 HB1 GLU 37 -14.998 1.181 6.895 292 HG2 GLU 37 HG2 GLU 37 -17.362 0.597 6.711 293 HG3 GLU 37 HG1 GLU 37 -17.157 2.296 7.132 294 H HIS 38 HN HIS 38 -13.579 3.110 7.592 295 HA HIS 38 HA HIS 38 -15.232 5.108 8.776 296 HB2 HIS 38 HB2 HIS 38 -13.752 3.534 10.068 297 HB3 HIS 38 HB1 HIS 38 -12.366 4.462 9.511 298 HD1 HIS 38 HD1 HIS 38 -11.749 6.518 10.949 299 HD2 HIS 38 HD2 HIS 38 -15.557 5.037 11.728 300 HE1 HIS 38 HE1 HIS 38 -12.600 7.783 12.930 301 H ASN 39 HN ASN 39 -12.320 5.231 6.810 302 HA ASN 39 HA ASN 39 -12.170 8.118 7.182 303 HB2 ASN 39 HB2 ASN 39 -10.319 6.279 5.656 304 HB3 ASN 39 HB1 ASN 39 -10.112 8.023 5.764 305 HD21 ASN 39 HD21 ASN 39 -9.795 4.994 7.354 306 HD22 ASN 39 HD22 ASN 39 -8.981 5.594 8.746 307 H ARG 40 HN ARG 40 -13.819 8.937 6.173 308 HA ARG 40 HA ARG 40 -14.974 8.222 3.746 309 HB2 ARG 40 HB2 ARG 40 -16.053 9.677 5.399 310 HB3 ARG 40 HB1 ARG 40 -14.878 10.934 5.072 311 HG2 ARG 40 HG2 ARG 40 -15.737 11.173 2.804 312 HG3 ARG 40 HG1 ARG 40 -16.886 9.866 3.096 313 HD2 ARG 40 HD2 ARG 40 -16.787 12.477 4.614 314 HD3 ARG 40 HD1 ARG 40 -17.927 12.092 3.326 315 HE ARG 40 HE ARG 40 -18.303 10.073 5.072 316 HH11 ARG 40 HH11 ARG 40 -18.400 13.600 5.479 317 HH12 ARG 40 HH12 ARG 40 -19.462 13.555 6.796 318 HH21 ARG 40 HH21 ARG 40 -19.748 10.014 6.846 319 HH22 ARG 40 HH22 ARG 40 -20.241 11.436 7.635 320 H ALA 41 HN ALA 41 -12.446 10.621 4.357 321 HA ALA 41 HA ALA 41 -12.282 11.470 1.618 322 HB1 ALA 41 HB1 ALA 41 -10.271 11.841 3.842 323 HB2 ALA 41 HB2 ALA 41 -11.618 12.926 3.502 324 HB3 ALA 41 HB3 ALA 41 -10.325 12.724 2.318 325 H ALA 42 HN ALA 42 -10.657 9.013 3.514 326 HA ALA 42 HA ALA 42 -8.580 8.539 1.626 327 HB1 ALA 42 HB1 ALA 42 -8.164 6.461 2.823 328 HB2 ALA 42 HB2 ALA 42 -9.712 6.604 3.644 329 HB3 ALA 42 HB3 ALA 42 -8.434 7.765 3.980 330 H ALA 43 HN ALA 43 -11.748 7.103 2.160 331 HA ALA 43 HA ALA 43 -11.598 5.149 0.121 332 HB1 ALA 43 HB1 ALA 43 -14.011 5.012 0.307 333 HB2 ALA 43 HB2 ALA 43 -14.060 6.556 1.149 334 HB3 ALA 43 HB3 ALA 43 -13.325 5.161 1.926 335 H GLU 44 HN GLU 44 -12.730 8.471 0.155 336 HA GLU 44 HA GLU 44 -13.609 8.552 -2.517 337 HB2 GLU 44 HB2 GLU 44 -14.357 10.173 -0.878 338 HB3 GLU 44 HB1 GLU 44 -12.714 10.740 -0.640 339 HG2 GLU 44 HG2 GLU 44 -12.634 11.674 -2.771 340 HG3 GLU 44 HG1 GLU 44 -14.189 10.959 -3.249 341 H PHE 45 HN PHE 45 -10.536 9.390 -0.993 342 HA PHE 45 HA PHE 45 -9.188 10.273 -3.279 343 HB2 PHE 45 HB2 PHE 45 -8.245 10.715 -1.096 344 HB3 PHE 45 HB1 PHE 45 -8.140 8.998 -0.739 345 HD1 PHE 45 HD1 PHE 45 -6.969 11.345 -3.400 346 HD2 PHE 45 HD2 PHE 45 -6.005 8.073 -0.848 347 HE1 PHE 45 HE1 PHE 45 -4.690 11.297 -4.292 348 HE2 PHE 45 HE2 PHE 45 -3.743 8.032 -1.740 349 HZ PHE 45 HZ PHE 45 -3.070 9.632 -3.465 350 H VAL 46 HN VAL 46 -9.222 7.009 -1.795 351 HA VAL 46 HA VAL 46 -7.649 6.053 -3.904 352 HB VAL 46 HB VAL 46 -7.904 3.829 -3.171 353 HG11 VAL 46 HG11 VAL 46 -7.208 3.983 -0.898 354 HG12 VAL 46 HG12 VAL 46 -7.710 5.669 -0.869 355 HG13 VAL 46 HG13 VAL 46 -6.406 5.139 -1.972 356 HG21 VAL 46 HG21 VAL 46 -10.133 4.779 -1.412 357 HG22 VAL 46 HG22 VAL 46 -9.250 3.257 -1.237 358 HG23 VAL 46 HG23 VAL 46 -10.167 3.570 -2.736 359 H GLY 47 HN GLY 47 -10.976 6.573 -3.668 360 HA2 GLY 47 HA2 GLY 47 -11.898 4.740 -5.595 361 HA3 GLY 47 HA1 GLY 47 -12.660 6.276 -5.201 362 H SER 48 HN SER 48 -10.094 7.673 -5.908 363 HA SER 48 HA SER 48 -10.737 8.026 -8.705 364 HB2 SER 48 HB2 SER 48 -8.636 9.391 -7.019 365 HB3 SER 48 HB1 SER 48 -9.256 9.932 -8.579 366 HG SER 48 HG SER 48 -10.955 9.565 -6.337 367 H VAL 49 HN VAL 49 -8.411 6.332 -6.806 368 HA VAL 49 HA VAL 49 -6.635 5.992 -9.131 369 HB VAL 49 HB VAL 49 -4.788 5.547 -7.533 370 HG11 VAL 49 HG11 VAL 49 -6.265 8.088 -6.943 371 HG12 VAL 49 HG12 VAL 49 -5.190 7.841 -8.324 372 HG13 VAL 49 HG13 VAL 49 -4.544 7.817 -6.671 373 HG21 VAL 49 HG21 VAL 49 -5.077 5.928 -5.156 374 HG22 VAL 49 HG22 VAL 49 -6.251 4.697 -5.681 375 HG23 VAL 49 HG23 VAL 49 -6.747 6.378 -5.458 376 H ASN 50 HN ASN 50 -9.035 4.521 -8.075 377 HA ASN 50 HA ASN 50 -7.922 2.113 -7.054 378 HB2 ASN 50 HB2 ASN 50 -10.184 3.397 -6.471 379 HB3 ASN 50 HB1 ASN 50 -10.804 2.157 -7.573 380 HD21 ASN 50 HD21 ASN 50 -8.744 2.652 -4.899 381 HD22 ASN 50 HD22 ASN 50 -8.929 1.124 -4.116 382 H GLY 51 HN GLY 51 -9.594 0.149 -8.053 383 HA2 GLY 51 HA2 GLY 51 -8.907 0.018 -10.877 384 HA3 GLY 51 HA1 GLY 51 -9.536 -1.302 -9.889 385 H GLY 52 HN GLY 52 -10.504 1.904 -11.009 386 HA2 GLY 52 HA2 GLY 52 -12.397 2.392 -12.323 387 HA3 GLY 52 HA1 GLY 52 -13.040 0.799 -11.939 388 H ASN 53 HN ASN 53 -13.607 0.440 -9.713 389 HA ASN 53 HA ASN 53 -14.836 2.807 -8.432 390 HB2 ASN 53 HB2 ASN 53 -15.623 -0.124 -8.446 391 HB3 ASN 53 HB1 ASN 53 -16.244 0.999 -7.250 392 HD21 ASN 53 HD21 ASN 53 -18.361 0.521 -8.010 393 HD22 ASN 53 HD22 ASN 53 -18.917 1.229 -9.486 394 H ARG 54 HN ARG 54 -14.790 2.687 -6.023 395 HA ARG 54 HA ARG 54 -12.222 1.796 -5.163 396 HB2 ARG 54 HB2 ARG 54 -12.705 2.682 -2.939 397 HB3 ARG 54 HB1 ARG 54 -13.248 3.841 -4.125 398 HG2 ARG 54 HG2 ARG 54 -15.054 1.950 -2.606 399 HG3 ARG 54 HG1 ARG 54 -14.737 3.616 -2.146 400 HD2 ARG 54 HD2 ARG 54 -15.750 4.363 -4.268 401 HD3 ARG 54 HD1 ARG 54 -16.063 2.683 -4.696 402 HE ARG 54 HE ARG 54 -17.231 2.874 -2.320 403 HH11 ARG 54 HH11 ARG 54 -17.531 5.025 -5.148 404 HH12 ARG 54 HH12 ARG 54 -19.170 5.362 -4.867 405 HH21 ARG 54 HH21 ARG 54 -19.489 3.414 -1.944 406 HH22 ARG 54 HH22 ARG 54 -20.302 4.431 -3.037 407 H THR 55 HN THR 55 -11.853 -0.250 -5.154 408 HA THR 55 HA THR 55 -13.491 -1.960 -3.471 409 HB THR 55 HB THR 55 -14.594 -2.045 -5.657 410 HG1 THR 55 HG1 THR 55 -13.353 -4.308 -4.578 411 HG21 THR 55 HG21 THR 55 -12.654 -1.521 -7.063 412 HG22 THR 55 HG22 THR 55 -13.452 -2.991 -7.626 413 HG23 THR 55 HG23 THR 55 -11.952 -3.090 -6.693 414 H VAL 56 HN VAL 56 -10.430 -1.246 -4.958 415 HA VAL 56 HA VAL 56 -9.408 -3.680 -3.745 416 HB VAL 56 HB VAL 56 -7.414 -3.461 -5.298 417 HG11 VAL 56 HG11 VAL 56 -10.116 -4.024 -6.550 418 HG12 VAL 56 HG12 VAL 56 -9.108 -5.182 -5.681 419 HG13 VAL 56 HG13 VAL 56 -8.569 -4.529 -7.222 420 HG21 VAL 56 HG21 VAL 56 -7.774 -2.276 -7.418 421 HG22 VAL 56 HG22 VAL 56 -7.732 -1.194 -6.027 422 HG23 VAL 56 HG23 VAL 56 -9.275 -1.615 -6.771 423 HA PRO 57 HA PRO 57 -6.956 -1.413 -0.898 424 HB2 PRO 57 HB2 PRO 57 -4.654 -2.987 -1.097 425 HB3 PRO 57 HB1 PRO 57 -6.004 -3.314 -0.014 426 HG2 PRO 57 HG2 PRO 57 -5.392 -4.478 -2.682 427 HG3 PRO 57 HG1 PRO 57 -6.092 -5.251 -1.251 428 HD2 PRO 57 HD2 PRO 57 -7.627 -4.545 -3.336 429 HD3 PRO 57 HD1 PRO 57 -8.207 -4.374 -1.657 430 H THR 58 HN THR 58 -5.930 0.387 -1.249 431 HA THR 58 HA THR 58 -4.031 0.560 -3.499 432 HB THR 58 HB THR 58 -5.496 2.811 -2.153 433 HG1 THR 58 HG1 THR 58 -6.625 1.025 -3.568 434 HG21 THR 58 HG21 THR 58 -4.872 4.105 -4.104 435 HG22 THR 58 HG22 THR 58 -4.112 2.693 -4.842 436 HG23 THR 58 HG23 THR 58 -3.433 3.404 -3.372 437 H VAL 59 HN VAL 59 -2.084 1.155 -3.066 438 HA VAL 59 HA VAL 59 -1.535 1.542 -0.257 439 HB VAL 59 HB VAL 59 -0.518 -0.429 -1.308 440 HG11 VAL 59 HG11 VAL 59 -0.243 0.317 -3.556 441 HG12 VAL 59 HG12 VAL 59 1.324 -0.190 -2.900 442 HG13 VAL 59 HG13 VAL 59 0.940 1.527 -3.047 443 HG21 VAL 59 HG21 VAL 59 0.517 0.540 0.540 444 HG22 VAL 59 HG22 VAL 59 1.347 1.716 -0.500 445 HG23 VAL 59 HG23 VAL 59 1.765 -0.015 -0.600 446 H LYS 60 HN LYS 60 -0.861 3.406 0.423 447 HA LYS 60 HA LYS 60 -0.091 5.443 -1.548 448 HB2 LYS 60 HB2 LYS 60 -2.237 5.572 -0.063 449 HB3 LYS 60 HB1 LYS 60 -1.130 5.940 1.238 450 HG2 LYS 60 HG2 LYS 60 -1.396 7.566 -1.296 451 HG3 LYS 60 HG1 LYS 60 -2.226 7.933 0.202 452 HD2 LYS 60 HD2 LYS 60 0.752 7.852 -0.172 453 HD3 LYS 60 HD1 LYS 60 -0.281 9.294 -0.185 454 HE2 LYS 60 HE2 LYS 60 -0.913 8.889 2.126 455 HE3 LYS 60 HE1 LYS 60 0.049 7.409 2.153 456 HZ1 LYS 60 HZ1 LYS 60 1.232 9.241 3.196 457 HZ2 LYS 60 HZ2 LYS 60 1.098 10.164 1.801 458 HZ3 LYS 60 HZ3 LYS 60 2.025 8.745 1.789 459 H PHE 61 HN PHE 61 2.035 5.668 -1.498 460 HA PHE 61 HA PHE 61 3.640 4.819 0.757 461 HB2 PHE 61 HB2 PHE 61 4.405 6.091 -1.856 462 HB3 PHE 61 HB1 PHE 61 5.550 5.539 -0.650 463 HD1 PHE 61 HD1 PHE 61 3.132 4.552 -3.196 464 HD2 PHE 61 HD2 PHE 61 6.014 3.171 -0.366 465 HE1 PHE 61 HE1 PHE 61 3.147 2.372 -4.275 466 HE2 PHE 61 HE2 PHE 61 6.026 0.984 -1.451 467 HZ PHE 61 HZ PHE 61 4.604 0.579 -3.414 468 H ALA 62 HN ALA 62 5.403 6.253 1.563 469 HA ALA 62 HA ALA 62 4.551 8.849 2.361 470 HB1 ALA 62 HB1 ALA 62 7.330 7.673 2.296 471 HB2 ALA 62 HB2 ALA 62 6.189 7.546 3.634 472 HB3 ALA 62 HB3 ALA 62 6.853 9.119 3.184 473 H ASP 63 HN ASP 63 5.915 7.597 -0.388 474 HA ASP 63 HA ASP 63 7.113 9.881 -1.610 475 HB2 ASP 63 HB2 ASP 63 7.735 7.698 -2.350 476 HB3 ASP 63 HB1 ASP 63 6.069 7.227 -2.594 477 H GLY 64 HN GLY 64 3.910 8.841 -1.051 478 HA2 GLY 64 HA2 GLY 64 1.991 10.119 -1.241 479 HA3 GLY 64 HA1 GLY 64 2.829 11.205 -2.337 480 H SER 65 HN SER 65 3.670 8.771 -3.923 481 HA SER 65 HA SER 65 1.497 8.790 -5.741 482 HB2 SER 65 HB2 SER 65 3.845 6.894 -5.699 483 HB3 SER 65 HB1 SER 65 2.880 7.404 -7.087 484 HG SER 65 HG SER 65 4.991 8.592 -5.872 485 H THR 66 HN THR 66 0.219 6.977 -6.367 486 HA THR 66 HA THR 66 -0.109 4.962 -4.274 487 HB THR 66 HB THR 66 -2.512 4.958 -5.276 488 HG1 THR 66 HG1 THR 66 -1.956 7.687 -5.740 489 HG21 THR 66 HG21 THR 66 -3.224 6.686 -3.658 490 HG22 THR 66 HG22 THR 66 -1.538 7.182 -3.466 491 HG23 THR 66 HG23 THR 66 -2.060 5.564 -2.974 492 H LEU 67 HN LEU 67 -0.367 2.882 -4.947 493 HA LEU 67 HA LEU 67 -0.572 2.414 -7.826 494 HB2 LEU 67 HB2 LEU 67 1.085 0.812 -5.849 495 HB3 LEU 67 HB1 LEU 67 0.686 0.253 -7.455 496 HG LEU 67 HG LEU 67 2.402 2.659 -6.810 497 HD11 LEU 67 HD11 LEU 67 3.443 0.470 -6.249 498 HD12 LEU 67 HD12 LEU 67 4.252 1.294 -7.574 499 HD13 LEU 67 HD13 LEU 67 3.164 -0.048 -7.912 500 HD21 LEU 67 HD21 LEU 67 1.736 1.322 -9.439 501 HD22 LEU 67 HD22 LEU 67 2.945 2.577 -9.207 502 HD23 LEU 67 HD23 LEU 67 1.247 2.948 -8.946 503 H THR 68 HN THR 68 -2.172 1.132 -8.417 504 HA THR 68 HA THR 68 -4.062 0.249 -6.501 505 HB THR 68 HB THR 68 -3.857 -0.525 -9.431 506 HG1 THR 68 HG1 THR 68 -5.201 1.780 -8.356 507 HG21 THR 68 HG21 THR 68 -5.575 -1.703 -8.108 508 HG22 THR 68 HG22 THR 68 -6.311 -0.606 -9.279 509 HG23 THR 68 HG23 THR 68 -6.227 -0.153 -7.580 510 H ASN 69 HN ASN 69 -4.442 -1.856 -5.798 511 HA ASN 69 HA ASN 69 -2.899 -3.317 -4.592 512 HB2 ASN 69 HB2 ASN 69 -5.075 -4.196 -4.771 513 HB3 ASN 69 HB1 ASN 69 -4.839 -4.649 -6.458 514 HD21 ASN 69 HD21 ASN 69 -4.114 -6.624 -6.891 515 HD22 ASN 69 HD22 ASN 69 -3.522 -7.782 -5.767 516 HA PRO 70 HA PRO 70 0.530 -4.886 -6.984 517 HB2 PRO 70 HB2 PRO 70 2.349 -3.559 -5.433 518 HB3 PRO 70 HB1 PRO 70 1.679 -2.908 -6.924 519 HG2 PRO 70 HG2 PRO 70 1.289 -1.922 -4.267 520 HG3 PRO 70 HG1 PRO 70 0.560 -1.318 -5.764 521 HD2 PRO 70 HD2 PRO 70 -0.596 -3.133 -3.704 522 HD3 PRO 70 HD1 PRO 70 -1.386 -2.022 -4.842 523 H SER 71 HN SER 71 1.900 -6.519 -6.325 524 HA SER 71 HA SER 71 1.435 -7.480 -3.657 525 HB2 SER 71 HB2 SER 71 3.063 -8.644 -5.930 526 HB3 SER 71 HB1 SER 71 2.703 -9.461 -4.404 527 HG SER 71 HG SER 71 0.421 -8.619 -5.207 528 H ALA 72 HN ALA 72 3.566 -8.429 -2.591 529 HA ALA 72 HA ALA 72 4.836 -6.289 -1.382 530 HB1 ALA 72 HB1 ALA 72 4.678 -8.543 -0.460 531 HB2 ALA 72 HB2 ALA 72 6.324 -7.905 -0.425 532 HB3 ALA 72 HB3 ALA 72 5.866 -9.093 -1.641 533 H ASP 73 HN ASP 73 6.074 -8.271 -4.020 534 HA ASP 73 HA ASP 73 8.607 -6.964 -3.939 535 HB2 ASP 73 HB2 ASP 73 7.465 -8.808 -6.032 536 HB3 ASP 73 HB1 ASP 73 9.110 -8.184 -6.050 537 H GLU 74 HN GLU 74 5.706 -6.079 -5.377 538 HA GLU 74 HA GLU 74 6.982 -4.419 -7.369 539 HB2 GLU 74 HB2 GLU 74 4.110 -4.476 -6.451 540 HB3 GLU 74 HB1 GLU 74 4.721 -3.647 -7.879 541 HG2 GLU 74 HG2 GLU 74 4.639 -6.611 -7.396 542 HG3 GLU 74 HG1 GLU 74 3.680 -5.683 -8.553 543 H VAL 75 HN VAL 75 5.457 -4.063 -4.253 544 HA VAL 75 HA VAL 75 5.826 -1.236 -4.297 545 HB VAL 75 HB VAL 75 5.146 -1.305 -1.873 546 HG11 VAL 75 HG11 VAL 75 3.318 -2.694 -3.811 547 HG12 VAL 75 HG12 VAL 75 3.542 -0.954 -3.752 548 HG13 VAL 75 HG13 VAL 75 2.810 -1.803 -2.379 549 HG21 VAL 75 HG21 VAL 75 4.556 -4.170 -2.509 550 HG22 VAL 75 HG22 VAL 75 4.136 -3.339 -1.014 551 HG23 VAL 75 HG23 VAL 75 5.838 -3.640 -1.417 552 H LYS 76 HN LYS 76 7.629 -3.945 -3.058 553 HA LYS 76 HA LYS 76 9.467 -2.706 -1.393 554 HB2 LYS 76 HB2 LYS 76 9.735 -5.060 -3.256 555 HB3 LYS 76 HB1 LYS 76 11.098 -4.505 -2.297 556 HG2 LYS 76 HG2 LYS 76 10.009 -5.046 -0.261 557 HG3 LYS 76 HG1 LYS 76 8.455 -5.186 -1.068 558 HD2 LYS 76 HD2 LYS 76 9.383 -7.374 -0.453 559 HD3 LYS 76 HD1 LYS 76 9.153 -7.247 -2.177 560 HE2 LYS 76 HE2 LYS 76 11.647 -6.685 -2.321 561 HE3 LYS 76 HE1 LYS 76 11.699 -7.073 -0.608 562 HZ1 LYS 76 HZ1 LYS 76 10.956 -9.314 -1.075 563 HZ2 LYS 76 HZ2 LYS 76 12.321 -8.983 -1.984 564 HZ3 LYS 76 HZ3 LYS 76 10.799 -8.974 -2.718 565 H ALA 77 HN ALA 77 9.413 -2.914 -4.880 566 HA ALA 77 HA ALA 77 11.900 -1.901 -5.512 567 HB1 ALA 77 HB1 ALA 77 9.334 -1.520 -7.043 568 HB2 ALA 77 HB2 ALA 77 10.352 -2.949 -7.115 569 HB3 ALA 77 HB3 ALA 77 10.964 -1.401 -7.705 570 H LYS 78 HN LYS 78 8.939 -0.145 -4.738 571 HA LYS 78 HA LYS 78 10.240 2.389 -5.232 572 HB2 LYS 78 HB2 LYS 78 7.506 1.726 -4.184 573 HB3 LYS 78 HB1 LYS 78 8.144 3.362 -4.198 574 HG2 LYS 78 HG2 LYS 78 8.408 3.225 -6.635 575 HG3 LYS 78 HG1 LYS 78 7.733 1.594 -6.599 576 HD2 LYS 78 HD2 LYS 78 6.025 3.172 -7.222 577 HD3 LYS 78 HD1 LYS 78 5.690 2.461 -5.638 578 HE2 LYS 78 HE2 LYS 78 5.169 4.842 -5.609 579 HE3 LYS 78 HE1 LYS 78 6.532 4.526 -4.553 580 HZ1 LYS 78 HZ1 LYS 78 6.827 6.513 -5.892 581 HZ2 LYS 78 HZ2 LYS 78 6.702 5.619 -7.314 582 HZ3 LYS 78 HZ3 LYS 78 8.015 5.390 -6.302 583 H LEU 79 HN LEU 79 9.077 0.538 -2.483 584 HA LEU 79 HA LEU 79 9.467 2.434 -0.481 585 HB2 LEU 79 HB2 LEU 79 8.111 0.457 -0.177 586 HB3 LEU 79 HB1 LEU 79 9.528 -0.567 -0.308 587 HG LEU 79 HG LEU 79 10.417 0.493 1.749 588 HD11 LEU 79 HD11 LEU 79 8.954 1.738 3.182 589 HD12 LEU 79 HD12 LEU 79 7.693 1.744 1.943 590 HD13 LEU 79 HD13 LEU 79 9.218 2.589 1.664 591 HD21 LEU 79 HD21 LEU 79 8.931 -0.697 3.284 592 HD22 LEU 79 HD22 LEU 79 9.292 -1.649 1.843 593 HD23 LEU 79 HD23 LEU 79 7.731 -0.840 1.998 594 H VAL 80 HN VAL 80 11.718 0.023 -1.762 595 HA VAL 80 HA VAL 80 13.692 0.344 0.207 596 HB VAL 80 HB VAL 80 13.529 -1.570 -1.420 597 HG11 VAL 80 HG11 VAL 80 13.127 -0.409 -3.474 598 HG12 VAL 80 HG12 VAL 80 14.567 -1.418 -3.619 599 HG13 VAL 80 HG13 VAL 80 14.728 0.323 -3.406 600 HG21 VAL 80 HG21 VAL 80 16.219 -0.238 -1.349 601 HG22 VAL 80 HG22 VAL 80 15.918 -1.940 -1.694 602 HG23 VAL 80 HG23 VAL 80 15.547 -1.291 -0.097 603 H LYS 81 HN LYS 81 12.906 2.163 -2.606 604 HA LYS 81 HA LYS 81 15.341 3.695 -2.729 605 HB2 LYS 81 HB2 LYS 81 12.674 4.142 -4.057 606 HB3 LYS 81 HB1 LYS 81 14.193 4.912 -4.487 607 HG2 LYS 81 HG2 LYS 81 14.019 1.946 -4.557 608 HG3 LYS 81 HG1 LYS 81 13.240 2.863 -5.832 609 HD2 LYS 81 HD2 LYS 81 15.472 2.138 -6.467 610 HD3 LYS 81 HD1 LYS 81 15.353 3.890 -6.415 611 HE2 LYS 81 HE2 LYS 81 16.571 3.897 -4.298 612 HE3 LYS 81 HE1 LYS 81 16.625 2.128 -4.299 613 HZ1 LYS 81 HZ1 LYS 81 17.884 2.245 -6.363 614 HZ2 LYS 81 HZ2 LYS 81 18.712 3.019 -5.158 615 HZ3 LYS 81 HZ3 LYS 81 17.889 3.910 -6.331 616 H ILE 82 HN ILE 82 12.001 4.160 -1.701 617 HA ILE 82 HA ILE 82 12.078 6.886 -1.044 618 HB ILE 82 HB ILE 82 10.408 4.708 0.258 619 HG12 ILE 82 HG12 ILE 82 9.712 6.536 -2.046 620 HG13 ILE 82 HG11 ILE 82 10.193 4.853 -2.213 621 HG21 ILE 82 HG21 ILE 82 9.950 7.700 0.156 622 HG22 ILE 82 HG22 ILE 82 10.414 6.775 1.581 623 HG23 ILE 82 HG23 ILE 82 8.837 6.510 0.835 624 HD11 ILE 82 HD11 ILE 82 8.226 4.166 -0.946 625 HD12 ILE 82 HD12 ILE 82 7.785 5.116 -2.363 626 HD13 ILE 82 HD13 ILE 82 7.760 5.855 -0.763 627 H ALA 83 HN ALA 83 13.018 4.055 0.768 628 HA ALA 83 HA ALA 83 13.369 5.315 3.273 629 HB1 ALA 83 HB1 ALA 83 14.590 3.307 3.907 630 HB2 ALA 83 HB2 ALA 83 14.695 2.819 2.216 631 HB3 ALA 83 HB3 ALA 83 13.125 2.891 3.019 632 H GLY 84 HN GLY 84 15.211 5.520 0.404 633 HA2 GLY 84 HA2 GLY 84 17.028 6.945 0.076 634 HA3 GLY 84 HA1 GLY 84 17.299 6.982 1.813 635 H LEU 85 HN LEU 85 16.774 3.908 0.914 636 HA LEU 85 HA LEU 85 19.582 3.238 1.190 637 HB2 LEU 85 HB2 LEU 85 17.126 1.510 1.065 638 HB3 LEU 85 HB1 LEU 85 18.748 0.947 1.453 639 HG LEU 85 HG LEU 85 17.043 2.808 3.106 640 HD11 LEU 85 HD11 LEU 85 17.824 -0.070 3.529 641 HD12 LEU 85 HD12 LEU 85 16.220 0.535 3.123 642 HD13 LEU 85 HD13 LEU 85 16.945 0.939 4.676 643 HD21 LEU 85 HD21 LEU 85 19.761 1.622 3.687 644 HD22 LEU 85 HD22 LEU 85 18.785 2.574 4.808 645 HD23 LEU 85 HD23 LEU 85 19.425 3.319 3.345 646 H GLU 86 HN GLU 86 20.466 1.555 -0.255 647 HA GLU 86 HA GLU 86 21.166 0.919 -2.315 648 HB2 GLU 86 HB2 GLU 86 18.208 1.030 -2.937 649 HB3 GLU 86 HB1 GLU 86 19.417 0.284 -3.967 650 HG2 GLU 86 HG2 GLU 86 18.660 -0.563 -1.186 651 HG3 GLU 86 HG1 GLU 86 18.266 -1.395 -2.689 652 H HIS 87 HN HIS 87 20.791 3.831 -1.733 653 HA HIS 87 HA HIS 87 21.042 4.696 -4.505 654 HB2 HIS 87 HB2 HIS 87 18.866 5.503 -3.502 655 HB3 HIS 87 HB1 HIS 87 19.814 6.390 -2.308 656 HD1 HIS 87 HD1 HIS 87 20.780 8.649 -3.049 657 HD2 HIS 87 HD2 HIS 87 19.112 6.464 -6.160 658 HE1 HIS 87 HE1 HIS 87 20.763 10.178 -5.049 659 H HIS 88 HN HIS 88 23.141 4.773 -4.610 660 HA HIS 88 HA HIS 88 24.605 6.379 -2.662 661 HB2 HIS 88 HB2 HIS 88 25.563 3.800 -3.957 662 HB3 HIS 88 HB1 HIS 88 26.456 4.776 -2.798 663 HD1 HIS 88 HD1 HIS 88 23.909 2.074 -3.007 664 HD2 HIS 88 HD2 HIS 88 25.407 4.680 -0.129 665 HE1 HIS 88 HE1 HIS 88 23.067 1.244 -0.803 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 11.829 11.518 5.709 2 H2 MET 1 HT2 MET 1 10.473 11.093 6.648 3 H3 MET 1 HT3 MET 1 10.579 10.602 5.044 4 HA MET 1 HA MET 1 12.386 9.186 5.498 5 HB2 MET 1 HB2 MET 1 11.941 10.051 8.370 6 HB3 MET 1 HB1 MET 1 12.978 8.729 7.871 7 HG2 MET 1 HG2 MET 1 14.435 10.306 6.718 8 HG3 MET 1 HG1 MET 1 13.378 11.633 7.192 9 HE1 MET 1 HE1 MET 1 12.998 12.400 9.717 10 HE2 MET 1 HE2 MET 1 13.791 11.648 11.099 11 HE3 MET 1 HE3 MET 1 12.571 10.757 10.205 12 H VAL 2 HN VAL 2 11.916 7.191 7.378 13 HA VAL 2 HA VAL 2 9.295 6.480 6.429 14 HB VAL 2 HB VAL 2 11.345 4.751 7.855 15 HG11 VAL 2 HG11 VAL 2 8.839 3.979 6.359 16 HG12 VAL 2 HG12 VAL 2 9.083 3.880 8.105 17 HG13 VAL 2 HG13 VAL 2 10.027 2.856 7.021 18 HG21 VAL 2 HG21 VAL 2 10.721 4.972 4.906 19 HG22 VAL 2 HG22 VAL 2 11.826 3.809 5.637 20 HG23 VAL 2 HG23 VAL 2 12.189 5.531 5.705 21 H THR 3 HN THR 3 8.207 7.932 7.805 22 HA THR 3 HA THR 3 7.998 7.043 10.576 23 HB THR 3 HB THR 3 7.932 9.505 10.181 24 HG1 THR 3 HG1 THR 3 6.595 8.348 11.817 25 HG21 THR 3 HG21 THR 3 5.374 8.952 8.662 26 HG22 THR 3 HG22 THR 3 6.884 9.534 7.960 27 HG23 THR 3 HG23 THR 3 5.983 10.552 9.083 28 H ALA 4 HN ALA 4 6.638 6.754 7.534 29 HA ALA 4 HA ALA 4 4.904 4.639 8.360 30 HB1 ALA 4 HB1 ALA 4 3.209 5.454 6.708 31 HB2 ALA 4 HB2 ALA 4 4.122 6.956 6.557 32 HB3 ALA 4 HB3 ALA 4 3.361 6.538 8.090 33 H ALA 5 HN ALA 5 5.000 3.113 6.696 34 HA ALA 5 HA ALA 5 7.238 3.627 4.858 35 HB1 ALA 5 HB1 ALA 5 7.388 1.586 6.177 36 HB2 ALA 5 HB2 ALA 5 7.218 1.177 4.466 37 HB3 ALA 5 HB3 ALA 5 5.835 1.044 5.553 38 H LEU 6 HN LEU 6 4.020 2.235 4.815 39 HA LEU 6 HA LEU 6 3.366 3.691 2.476 40 HB2 LEU 6 HB2 LEU 6 2.505 1.749 1.229 41 HB3 LEU 6 HB1 LEU 6 4.243 1.688 1.394 42 HG LEU 6 HG LEU 6 2.490 0.102 3.264 43 HD11 LEU 6 HD11 LEU 6 3.413 -0.655 0.512 44 HD12 LEU 6 HD12 LEU 6 1.741 -0.499 1.057 45 HD13 LEU 6 HD13 LEU 6 2.764 -1.788 1.697 46 HD21 LEU 6 HD21 LEU 6 5.273 -0.311 2.167 47 HD22 LEU 6 HD22 LEU 6 4.453 -1.351 3.332 48 HD23 LEU 6 HD23 LEU 6 4.879 0.303 3.771 49 H THR 7 HN THR 7 1.306 4.165 2.472 50 HA THR 7 HA THR 7 -0.229 3.192 4.743 51 HB THR 7 HB THR 7 -0.668 5.620 2.973 52 HG1 THR 7 HG1 THR 7 0.863 5.099 5.224 53 HG21 THR 7 HG21 THR 7 -2.707 4.812 4.119 54 HG22 THR 7 HG22 THR 7 -2.168 6.355 4.784 55 HG23 THR 7 HG23 THR 7 -1.850 4.856 5.660 56 H ILE 8 HN ILE 8 -1.435 1.595 4.240 57 HA ILE 8 HA ILE 8 -2.290 1.022 1.535 58 HB ILE 8 HB ILE 8 -2.475 -0.500 4.135 59 HG12 ILE 8 HG12 ILE 8 -0.883 -1.116 1.666 60 HG13 ILE 8 HG11 ILE 8 -0.208 -0.325 3.099 61 HG21 ILE 8 HG21 ILE 8 -4.344 -1.096 2.992 62 HG22 ILE 8 HG22 ILE 8 -3.183 -2.429 2.764 63 HG23 ILE 8 HG23 ILE 8 -3.506 -1.285 1.449 64 HD11 ILE 8 HD11 ILE 8 0.335 -2.679 3.042 65 HD12 ILE 8 HD12 ILE 8 -1.379 -3.091 2.917 66 HD13 ILE 8 HD13 ILE 8 -0.757 -2.344 4.387 67 H TYR 9 HN TYR 9 -4.247 1.405 0.790 68 HA TYR 9 HA TYR 9 -6.426 2.039 2.664 69 HB2 TYR 9 HB2 TYR 9 -6.108 2.780 -0.243 70 HB3 TYR 9 HB1 TYR 9 -7.477 3.195 0.772 71 HD1 TYR 9 HD1 TYR 9 -6.909 4.604 2.889 72 HD2 TYR 9 HD2 TYR 9 -4.387 4.256 -0.501 73 HE1 TYR 9 HE1 TYR 9 -5.819 6.706 3.497 74 HE2 TYR 9 HE2 TYR 9 -3.288 6.348 0.087 75 HH TYR 9 HH TYR 9 -3.860 8.423 1.393 76 H THR 10 HN THR 10 -7.470 0.117 2.982 77 HA THR 10 HA THR 10 -9.131 -0.763 0.907 78 HB THR 10 HB THR 10 -7.120 -2.112 0.292 79 HG1 THR 10 HG1 THR 10 -8.596 -3.469 -0.263 80 HG21 THR 10 HG21 THR 10 -6.244 -3.833 1.788 81 HG22 THR 10 HG22 THR 10 -7.362 -3.305 3.041 82 HG23 THR 10 HG23 THR 10 -6.070 -2.228 2.510 83 H THR 11 HN THR 11 -10.108 -3.084 2.081 84 HA THR 11 HA THR 11 -10.347 -2.590 4.880 85 HB THR 11 HB THR 11 -12.943 -2.864 3.352 86 HG1 THR 11 HG1 THR 11 -11.266 -0.725 3.717 87 HG21 THR 11 HG21 THR 11 -12.282 -1.756 6.089 88 HG22 THR 11 HG22 THR 11 -12.997 -3.336 5.757 89 HG23 THR 11 HG23 THR 11 -13.896 -1.867 5.390 90 H SER 12 HN SER 12 -11.633 -4.509 5.852 91 HA SER 12 HA SER 12 -10.595 -6.931 5.121 92 HB2 SER 12 HB2 SER 12 -11.450 -6.278 7.327 93 HB3 SER 12 HB1 SER 12 -13.090 -6.400 6.714 94 HG SER 12 HG SER 12 -11.317 -8.580 6.534 95 H TRP 13 HN TRP 13 -13.413 -5.430 3.728 96 HA TRP 13 HA TRP 13 -14.559 -7.923 2.842 97 HB2 TRP 13 HB2 TRP 13 -16.146 -6.423 1.532 98 HB3 TRP 13 HB1 TRP 13 -16.189 -6.301 3.284 99 HD1 TRP 13 HD1 TRP 13 -15.695 -4.002 4.319 100 HE1 TRP 13 HE1 TRP 13 -15.247 -1.678 3.431 101 HE3 TRP 13 HE3 TRP 13 -14.953 -5.203 -0.595 102 HZ2 TRP 13 HZ2 TRP 13 -14.646 -0.461 0.906 103 HZ3 TRP 13 HZ3 TRP 13 -14.450 -3.392 -2.185 104 HH2 TRP 13 HH2 TRP 13 -14.301 -1.072 -1.447 105 H CYS 14 HN CYS 14 -11.941 -6.337 1.773 106 HA CYS 14 HA CYS 14 -12.435 -6.813 -1.060 107 HB2 CYS 14 HB2 CYS 14 -11.458 -4.658 -0.471 108 HB3 CYS 14 HB1 CYS 14 -10.159 -5.451 0.400 109 HG CYS 14 HG CYS 14 -10.604 -5.250 -2.992 110 H GLY 15 HN GLY 15 -11.601 -8.539 -2.084 111 HA2 GLY 15 HA2 GLY 15 -10.508 -10.715 -0.631 112 HA3 GLY 15 HA1 GLY 15 -10.645 -10.604 -2.379 113 H TYR 16 HN TYR 16 -9.085 -8.203 -2.566 114 HA TYR 16 HA TYR 16 -6.504 -9.440 -2.447 115 HB2 TYR 16 HB2 TYR 16 -7.471 -6.861 -3.525 116 HB3 TYR 16 HB1 TYR 16 -5.734 -7.129 -3.349 117 HD1 TYR 16 HD2 TYR 16 -4.998 -9.513 -4.383 118 HD2 TYR 16 HD1 TYR 16 -8.406 -7.261 -5.547 119 HE1 TYR 16 HE2 TYR 16 -4.985 -10.635 -6.573 120 HE2 TYR 16 HE1 TYR 16 -8.409 -8.375 -7.728 121 HH TYR 16 HH TYR 16 -6.816 -9.543 -9.218 122 H CYS 17 HN CYS 17 -8.239 -7.745 -0.169 123 HA CYS 17 HA CYS 17 -6.228 -6.110 0.944 124 HB2 CYS 17 HB2 CYS 17 -8.488 -5.707 1.599 125 HB3 CYS 17 HB1 CYS 17 -8.690 -7.354 2.182 126 HG CYS 17 HG CYS 17 -8.013 -4.762 3.930 127 H LEU 18 HN LEU 18 -7.464 -9.277 2.108 128 HA LEU 18 HA LEU 18 -5.308 -9.590 3.905 129 HB2 LEU 18 HB2 LEU 18 -6.100 -11.759 4.418 130 HB3 LEU 18 HB1 LEU 18 -7.508 -10.754 4.187 131 HG LEU 18 HG LEU 18 -6.457 -12.747 2.161 132 HD11 LEU 18 HD11 LEU 18 -7.214 -13.839 4.183 133 HD12 LEU 18 HD12 LEU 18 -8.325 -14.121 2.842 134 HD13 LEU 18 HD13 LEU 18 -8.739 -12.955 4.099 135 HD21 LEU 18 HD21 LEU 18 -9.106 -11.315 2.301 136 HD22 LEU 18 HD22 LEU 18 -8.601 -12.488 1.082 137 HD23 LEU 18 HD23 LEU 18 -7.791 -10.927 1.189 138 H ARG 19 HN ARG 19 -5.754 -10.440 0.594 139 HA ARG 19 HA ARG 19 -3.684 -12.310 0.279 140 HB2 ARG 19 HB2 ARG 19 -5.453 -11.833 -1.415 141 HB3 ARG 19 HB1 ARG 19 -4.691 -10.287 -1.731 142 HG2 ARG 19 HG2 ARG 19 -4.114 -11.874 -3.471 143 HG3 ARG 19 HG1 ARG 19 -2.679 -11.441 -2.544 144 HD2 ARG 19 HD2 ARG 19 -2.831 -13.522 -1.292 145 HD3 ARG 19 HD1 ARG 19 -4.313 -13.952 -2.137 146 HE ARG 19 HE ARG 19 -2.554 -13.587 -4.136 147 HH11 ARG 19 HH11 ARG 19 -2.428 -15.620 -1.227 148 HH12 ARG 19 HH12 ARG 19 -1.460 -16.819 -1.954 149 HH21 ARG 19 HH21 ARG 19 -1.247 -15.252 -5.108 150 HH22 ARG 19 HH22 ARG 19 -0.773 -16.602 -4.182 151 H LEU 20 HN LEU 20 -3.776 -8.803 0.168 152 HA LEU 20 HA LEU 20 -1.040 -8.437 -0.505 153 HB2 LEU 20 HB2 LEU 20 -2.619 -6.767 -1.108 154 HB3 LEU 20 HB1 LEU 20 -3.199 -6.632 0.536 155 HG LEU 20 HG LEU 20 -1.031 -5.715 1.188 156 HD11 LEU 20 HD11 LEU 20 0.377 -6.609 -0.588 157 HD12 LEU 20 HD12 LEU 20 0.492 -4.851 -0.568 158 HD13 LEU 20 HD13 LEU 20 -0.490 -5.654 -1.790 159 HD21 LEU 20 HD21 LEU 20 -2.453 -4.206 -0.984 160 HD22 LEU 20 HD22 LEU 20 -1.432 -3.515 0.294 161 HD23 LEU 20 HD23 LEU 20 -2.948 -4.312 0.706 162 H LYS 21 HN LYS 21 -2.942 -8.200 2.494 163 HA LYS 21 HA LYS 21 -0.988 -7.260 4.234 164 HB2 LYS 21 HB2 LYS 21 -3.146 -9.274 4.910 165 HB3 LYS 21 HB1 LYS 21 -2.218 -8.356 6.077 166 HG2 LYS 21 HG2 LYS 21 -4.186 -7.251 4.084 167 HG3 LYS 21 HG1 LYS 21 -4.434 -7.429 5.817 168 HD2 LYS 21 HD2 LYS 21 -2.550 -5.847 6.192 169 HD3 LYS 21 HD1 LYS 21 -2.448 -5.618 4.446 170 HE2 LYS 21 HE2 LYS 21 -3.726 -3.824 5.389 171 HE3 LYS 21 HE1 LYS 21 -4.806 -4.859 4.444 172 HZ1 LYS 21 HZ1 LYS 21 -4.500 -4.778 7.388 173 HZ2 LYS 21 HZ2 LYS 21 -5.497 -5.894 6.599 174 HZ3 LYS 21 HZ3 LYS 21 -5.836 -4.255 6.515 175 H THR 22 HN THR 22 -1.747 -10.607 3.436 176 HA THR 22 HA THR 22 0.205 -11.697 5.147 177 HB THR 22 HB THR 22 -0.203 -13.812 3.753 178 HG1 THR 22 HG1 THR 22 -2.389 -12.328 2.729 179 HG21 THR 22 HG21 THR 22 -2.557 -12.389 5.011 180 HG22 THR 22 HG22 THR 22 -1.365 -13.372 5.867 181 HG23 THR 22 HG23 THR 22 -2.456 -14.119 4.696 182 H ALA 23 HN ALA 23 0.257 -10.783 1.756 183 HA ALA 23 HA ALA 23 2.683 -11.969 0.997 184 HB1 ALA 23 HB1 ALA 23 1.094 -11.010 -0.616 185 HB2 ALA 23 HB2 ALA 23 2.710 -10.342 -0.823 186 HB3 ALA 23 HB3 ALA 23 1.464 -9.398 -0.009 187 H LEU 24 HN LEU 24 1.986 -8.769 2.290 188 HA LEU 24 HA LEU 24 4.726 -7.932 2.323 189 HB2 LEU 24 HB2 LEU 24 2.427 -6.862 3.944 190 HB3 LEU 24 HB1 LEU 24 3.957 -6.062 3.705 191 HG LEU 24 HG LEU 24 1.792 -6.504 1.652 192 HD11 LEU 24 HD11 LEU 24 1.333 -4.740 3.250 193 HD12 LEU 24 HD12 LEU 24 1.717 -4.034 1.668 194 HD13 LEU 24 HD13 LEU 24 2.917 -4.044 2.950 195 HD21 LEU 24 HD21 LEU 24 3.186 -5.089 0.175 196 HD22 LEU 24 HD22 LEU 24 3.865 -6.667 0.456 197 HD23 LEU 24 HD23 LEU 24 4.522 -5.253 1.309 198 H THR 25 HN THR 25 2.594 -9.302 4.740 199 HA THR 25 HA THR 25 4.348 -9.025 6.897 200 HB THR 25 HB THR 25 2.144 -11.069 6.489 201 HG1 THR 25 HG1 THR 25 1.254 -9.038 6.392 202 HG21 THR 25 HG21 THR 25 2.066 -11.171 8.944 203 HG22 THR 25 HG22 THR 25 3.433 -10.060 9.035 204 HG23 THR 25 HG23 THR 25 3.650 -11.671 8.346 205 H ALA 26 HN ALA 26 3.945 -11.688 4.563 206 HA ALA 26 HA ALA 26 5.798 -13.463 5.767 207 HB1 ALA 26 HB1 ALA 26 5.725 -14.662 3.627 208 HB2 ALA 26 HB2 ALA 26 4.913 -13.283 2.886 209 HB3 ALA 26 HB3 ALA 26 4.104 -14.202 4.155 210 H ASN 27 HN ASN 27 6.140 -10.761 3.638 211 HA ASN 27 HA ASN 27 8.942 -11.357 3.125 212 HB2 ASN 27 HB2 ASN 27 7.030 -9.351 2.023 213 HB3 ASN 27 HB1 ASN 27 8.754 -9.034 1.906 214 HD21 ASN 27 HD21 ASN 27 6.123 -11.030 0.821 215 HD22 ASN 27 HD22 ASN 27 7.027 -11.789 -0.452 216 H ARG 28 HN ARG 28 7.391 -10.231 5.633 217 HA ARG 28 HA ARG 28 7.899 -9.082 7.509 218 HB2 ARG 28 HB2 ARG 28 10.708 -9.084 6.402 219 HB3 ARG 28 HB1 ARG 28 10.265 -8.698 8.055 220 HG2 ARG 28 HG2 ARG 28 9.371 -11.013 8.285 221 HG3 ARG 28 HG1 ARG 28 10.002 -11.349 6.673 222 HD2 ARG 28 HD2 ARG 28 11.571 -12.075 8.386 223 HD3 ARG 28 HD1 ARG 28 12.240 -10.776 7.397 224 HE ARG 28 HE ARG 28 10.963 -10.106 9.931 225 HH11 ARG 28 HH11 ARG 28 13.932 -10.382 8.017 226 HH12 ARG 28 HH12 ARG 28 14.924 -9.613 9.167 227 HH21 ARG 28 HH21 ARG 28 12.359 -8.962 11.503 228 HH22 ARG 28 HH22 ARG 28 14.006 -8.745 11.123 229 H ILE 29 HN ILE 29 7.074 -7.632 5.178 230 HA ILE 29 HA ILE 29 8.592 -5.184 5.140 231 HB ILE 29 HB ILE 29 5.958 -5.890 3.830 232 HG12 ILE 29 HG12 ILE 29 8.727 -5.740 2.638 233 HG13 ILE 29 HG11 ILE 29 7.928 -7.234 3.110 234 HG21 ILE 29 HG21 ILE 29 6.348 -3.901 2.422 235 HG22 ILE 29 HG22 ILE 29 7.811 -3.544 3.342 236 HG23 ILE 29 HG23 ILE 29 6.238 -3.456 4.127 237 HD11 ILE 29 HD11 ILE 29 7.024 -5.304 0.993 238 HD12 ILE 29 HD12 ILE 29 6.179 -6.779 1.480 239 HD13 ILE 29 HD13 ILE 29 7.772 -6.886 0.746 240 H ALA 30 HN ALA 30 8.176 -3.465 6.322 241 HA ALA 30 HA ALA 30 6.093 -3.512 8.291 242 HB1 ALA 30 HB1 ALA 30 7.020 -1.323 8.946 243 HB2 ALA 30 HB2 ALA 30 8.046 -1.351 7.511 244 HB3 ALA 30 HB3 ALA 30 8.290 -2.543 8.789 245 H TYR 31 HN TYR 31 4.108 -2.574 8.068 246 HA TYR 31 HA TYR 31 3.773 -0.578 5.993 247 HB2 TYR 31 HB2 TYR 31 1.745 -1.648 5.095 248 HB3 TYR 31 HB1 TYR 31 3.186 -2.602 4.810 249 HD1 TYR 31 HD1 TYR 31 0.010 -2.412 6.650 250 HD2 TYR 31 HD2 TYR 31 3.439 -4.791 5.817 251 HE1 TYR 31 HE1 TYR 31 -1.140 -4.372 7.550 252 HE2 TYR 31 HE2 TYR 31 2.296 -6.764 6.728 253 HH TYR 31 HH TYR 31 0.517 -7.353 8.132 254 H ASP 32 HN ASP 32 1.681 0.442 6.018 255 HA ASP 32 HA ASP 32 0.679 0.713 8.747 256 HB2 ASP 32 HB2 ASP 32 1.407 2.798 6.701 257 HB3 ASP 32 HB1 ASP 32 0.426 3.182 8.119 258 H GLU 33 HN GLU 33 -1.457 0.353 8.770 259 HA GLU 33 HA GLU 33 -2.942 0.628 6.242 260 HB2 GLU 33 HB2 GLU 33 -4.476 -1.122 7.151 261 HB3 GLU 33 HB1 GLU 33 -2.859 -1.698 6.795 262 HG2 GLU 33 HG2 GLU 33 -2.294 -1.660 9.145 263 HG3 GLU 33 HG1 GLU 33 -3.862 -0.961 9.538 264 H VAL 34 HN VAL 34 -4.534 2.016 6.204 265 HA VAL 34 HA VAL 34 -5.847 2.687 8.714 266 HB VAL 34 HB VAL 34 -4.450 4.638 7.865 267 HG11 VAL 34 HG11 VAL 34 -5.155 5.882 5.892 268 HG12 VAL 34 HG12 VAL 34 -6.292 4.599 5.502 269 HG13 VAL 34 HG13 VAL 34 -4.557 4.271 5.491 270 HG21 VAL 34 HG21 VAL 34 -7.429 5.074 7.825 271 HG22 VAL 34 HG22 VAL 34 -6.224 6.348 7.960 272 HG23 VAL 34 HG23 VAL 34 -6.368 5.140 9.236 273 H ASP 35 HN ASP 35 -8.129 2.659 8.513 274 HA ASP 35 HA ASP 35 -8.860 1.202 6.111 275 HB2 ASP 35 HB2 ASP 35 -10.878 0.543 7.229 276 HB3 ASP 35 HB1 ASP 35 -9.537 0.317 8.343 277 H ILE 36 HN ILE 36 -10.257 1.787 4.707 278 HA ILE 36 HA ILE 36 -11.002 4.566 4.417 279 HB ILE 36 HB ILE 36 -11.817 3.825 2.191 280 HG12 ILE 36 HG12 ILE 36 -10.913 1.113 3.176 281 HG13 ILE 36 HG11 ILE 36 -12.575 1.604 2.924 282 HG21 ILE 36 HG21 ILE 36 -9.480 4.478 2.476 283 HG22 ILE 36 HG22 ILE 36 -9.594 3.125 1.341 284 HG23 ILE 36 HG23 ILE 36 -9.076 2.845 3.000 285 HD11 ILE 36 HD11 ILE 36 -12.202 1.711 0.549 286 HD12 ILE 36 HD12 ILE 36 -11.695 0.145 1.238 287 HD13 ILE 36 HD13 ILE 36 -10.478 1.345 0.798 288 H GLU 37 HN GLU 37 -12.296 2.280 6.230 289 HA GLU 37 HA GLU 37 -14.949 2.318 5.193 290 HB2 GLU 37 HB2 GLU 37 -13.765 0.338 6.308 291 HB3 GLU 37 HB1 GLU 37 -14.104 1.151 7.830 292 HG2 GLU 37 HG2 GLU 37 -15.776 -0.513 7.371 293 HG3 GLU 37 HG1 GLU 37 -16.490 1.102 7.310 294 H HIS 38 HN HIS 38 -13.196 3.345 8.058 295 HA HIS 38 HA HIS 38 -15.300 5.060 9.069 296 HB2 HIS 38 HB2 HIS 38 -13.808 3.912 10.619 297 HB3 HIS 38 HB1 HIS 38 -12.401 4.611 9.838 298 HD1 HIS 38 HD1 HIS 38 -11.725 7.016 10.576 299 HD2 HIS 38 HD2 HIS 38 -15.200 5.588 12.362 300 HE1 HIS 38 HE1 HIS 38 -12.232 8.586 12.478 301 H ASN 39 HN ASN 39 -12.352 5.261 7.230 302 HA ASN 39 HA ASN 39 -12.492 8.152 7.217 303 HB2 ASN 39 HB2 ASN 39 -10.306 6.273 6.276 304 HB3 ASN 39 HB1 ASN 39 -10.267 8.010 6.004 305 HD21 ASN 39 HD21 ASN 39 -8.389 8.169 7.164 306 HD22 ASN 39 HD22 ASN 39 -8.359 8.042 8.878 307 H ARG 40 HN ARG 40 -14.118 8.648 5.904 308 HA ARG 40 HA ARG 40 -14.576 7.328 3.420 309 HB2 ARG 40 HB2 ARG 40 -16.373 8.404 4.789 310 HB3 ARG 40 HB1 ARG 40 -15.713 9.970 4.334 311 HG2 ARG 40 HG2 ARG 40 -16.132 9.414 1.957 312 HG3 ARG 40 HG1 ARG 40 -16.883 7.909 2.477 313 HD2 ARG 40 HD2 ARG 40 -18.596 9.552 2.058 314 HD3 ARG 40 HD1 ARG 40 -18.514 9.202 3.785 315 HE ARG 40 HE ARG 40 -16.963 11.470 2.908 316 HH11 ARG 40 HH11 ARG 40 -20.078 10.383 4.167 317 HH12 ARG 40 HH12 ARG 40 -20.544 11.913 4.743 318 HH21 ARG 40 HH21 ARG 40 -17.626 13.611 3.711 319 HH22 ARG 40 HH22 ARG 40 -19.144 13.752 4.478 320 H ALA 41 HN ALA 41 -12.776 10.146 4.403 321 HA ALA 41 HA ALA 41 -12.504 11.303 1.820 322 HB1 ALA 41 HB1 ALA 41 -10.628 11.496 4.178 323 HB2 ALA 41 HB2 ALA 41 -11.991 12.579 3.864 324 HB3 ALA 41 HB3 ALA 41 -10.615 12.526 2.754 325 H ALA 42 HN ALA 42 -10.832 8.855 3.612 326 HA ALA 42 HA ALA 42 -8.719 8.540 1.738 327 HB1 ALA 42 HB1 ALA 42 -8.497 7.782 4.067 328 HB2 ALA 42 HB2 ALA 42 -8.198 6.492 2.905 329 HB3 ALA 42 HB3 ALA 42 -9.738 6.557 3.774 330 H ALA 43 HN ALA 43 -11.857 7.031 2.263 331 HA ALA 43 HA ALA 43 -11.754 5.051 0.270 332 HB1 ALA 43 HB1 ALA 43 -13.493 5.128 2.000 333 HB2 ALA 43 HB2 ALA 43 -14.201 5.090 0.380 334 HB3 ALA 43 HB3 ALA 43 -14.135 6.602 1.277 335 H GLU 44 HN GLU 44 -12.739 8.402 0.172 336 HA GLU 44 HA GLU 44 -13.584 8.574 -2.495 337 HB2 GLU 44 HB2 GLU 44 -13.967 10.277 -0.703 338 HB3 GLU 44 HB1 GLU 44 -12.264 10.681 -0.756 339 HG2 GLU 44 HG2 GLU 44 -13.602 12.328 -1.928 340 HG3 GLU 44 HG1 GLU 44 -12.518 11.491 -3.035 341 H PHE 45 HN PHE 45 -10.469 9.195 -0.964 342 HA PHE 45 HA PHE 45 -8.967 9.874 -3.208 343 HB2 PHE 45 HB2 PHE 45 -8.214 10.298 -0.914 344 HB3 PHE 45 HB1 PHE 45 -8.109 8.573 -0.617 345 HD1 PHE 45 HD1 PHE 45 -6.650 11.326 -2.607 346 HD2 PHE 45 HD2 PHE 45 -6.155 7.363 -1.119 347 HE1 PHE 45 HE1 PHE 45 -4.298 11.348 -3.331 348 HE2 PHE 45 HE2 PHE 45 -3.807 7.389 -1.840 349 HZ PHE 45 HZ PHE 45 -2.877 9.378 -2.948 350 H VAL 46 HN VAL 46 -9.120 6.703 -1.554 351 HA VAL 46 HA VAL 46 -7.534 5.413 -3.506 352 HB VAL 46 HB VAL 46 -7.612 4.451 -1.278 353 HG11 VAL 46 HG11 VAL 46 -9.555 3.185 -0.589 354 HG12 VAL 46 HG12 VAL 46 -10.495 4.030 -1.852 355 HG13 VAL 46 HG13 VAL 46 -9.736 4.942 -0.511 356 HG21 VAL 46 HG21 VAL 46 -8.990 2.546 -3.086 357 HG22 VAL 46 HG22 VAL 46 -7.880 2.166 -1.745 358 HG23 VAL 46 HG23 VAL 46 -7.295 3.002 -3.203 359 H GLY 47 HN GLY 47 -10.990 5.880 -3.290 360 HA2 GLY 47 HA2 GLY 47 -11.706 4.081 -5.348 361 HA3 GLY 47 HA1 GLY 47 -12.633 5.482 -4.821 362 H SER 48 HN SER 48 -10.386 7.302 -5.381 363 HA SER 48 HA SER 48 -11.008 7.833 -8.114 364 HB2 SER 48 HB2 SER 48 -10.715 9.645 -6.433 365 HB3 SER 48 HB1 SER 48 -9.021 9.193 -6.264 366 HG SER 48 HG SER 48 -10.361 10.236 -8.503 367 H VAL 49 HN VAL 49 -8.163 6.780 -6.327 368 HA VAL 49 HA VAL 49 -6.572 6.648 -8.747 369 HB VAL 49 HB VAL 49 -4.711 5.955 -7.251 370 HG11 VAL 49 HG11 VAL 49 -4.548 8.068 -6.047 371 HG12 VAL 49 HG12 VAL 49 -6.273 8.341 -6.347 372 HG13 VAL 49 HG13 VAL 49 -5.136 8.303 -7.703 373 HG21 VAL 49 HG21 VAL 49 -5.022 5.986 -4.840 374 HG22 VAL 49 HG22 VAL 49 -6.106 4.781 -5.572 375 HG23 VAL 49 HG23 VAL 49 -6.728 6.351 -5.066 376 H ASN 50 HN ASN 50 -8.780 4.680 -7.579 377 HA ASN 50 HA ASN 50 -7.422 2.150 -7.751 378 HB2 ASN 50 HB2 ASN 50 -9.945 3.065 -6.798 379 HB3 ASN 50 HB1 ASN 50 -10.262 1.861 -8.039 380 HD21 ASN 50 HD21 ASN 50 -7.556 2.014 -5.814 381 HD22 ASN 50 HD22 ASN 50 -7.960 0.546 -5.001 382 H GLY 51 HN GLY 51 -8.987 0.530 -9.201 383 HA2 GLY 51 HA2 GLY 51 -8.697 1.497 -11.922 384 HA3 GLY 51 HA1 GLY 51 -9.028 -0.158 -11.415 385 H GLY 52 HN GLY 52 -10.544 3.049 -11.163 386 HA2 GLY 52 HA2 GLY 52 -12.639 3.417 -12.338 387 HA3 GLY 52 HA1 GLY 52 -13.074 1.762 -11.923 388 H ASN 53 HN ASN 53 -13.188 1.302 -9.569 389 HA ASN 53 HA ASN 53 -14.109 3.582 -7.953 390 HB2 ASN 53 HB2 ASN 53 -16.030 2.255 -9.142 391 HB3 ASN 53 HB1 ASN 53 -15.579 0.922 -8.096 392 HD21 ASN 53 HD21 ASN 53 -18.095 2.277 -8.266 393 HD22 ASN 53 HD22 ASN 53 -18.417 2.945 -6.711 394 H ARG 54 HN ARG 54 -14.293 2.598 -5.575 395 HA ARG 54 HA ARG 54 -11.774 1.294 -5.200 396 HB2 ARG 54 HB2 ARG 54 -12.026 1.456 -2.792 397 HB3 ARG 54 HB1 ARG 54 -12.505 2.980 -3.519 398 HG2 ARG 54 HG2 ARG 54 -14.486 0.902 -2.620 399 HG3 ARG 54 HG1 ARG 54 -13.841 2.126 -1.536 400 HD2 ARG 54 HD2 ARG 54 -14.776 3.875 -2.960 401 HD3 ARG 54 HD1 ARG 54 -15.383 2.648 -4.079 402 HE ARG 54 HE ARG 54 -16.457 1.868 -1.775 403 HH11 ARG 54 HH11 ARG 54 -16.418 5.119 -3.215 404 HH12 ARG 54 HH12 ARG 54 -17.933 5.563 -2.590 405 HH21 ARG 54 HH21 ARG 54 -18.522 2.476 -0.922 406 HH22 ARG 54 HH22 ARG 54 -19.180 3.999 -1.274 407 H THR 55 HN THR 55 -11.476 -0.616 -5.630 408 HA THR 55 HA THR 55 -13.266 -2.696 -4.615 409 HB THR 55 HB THR 55 -13.927 -2.320 -6.940 410 HG1 THR 55 HG1 THR 55 -13.399 -4.585 -6.000 411 HG21 THR 55 HG21 THR 55 -11.041 -2.852 -7.668 412 HG22 THR 55 HG22 THR 55 -11.892 -1.316 -7.822 413 HG23 THR 55 HG23 THR 55 -12.368 -2.693 -8.821 414 H VAL 56 HN VAL 56 -10.085 -1.545 -5.392 415 HA VAL 56 HA VAL 56 -8.928 -3.994 -4.326 416 HB VAL 56 HB VAL 56 -6.923 -3.502 -5.831 417 HG11 VAL 56 HG11 VAL 56 -7.915 -4.652 -7.793 418 HG12 VAL 56 HG12 VAL 56 -9.525 -4.308 -7.159 419 HG13 VAL 56 HG13 VAL 56 -8.442 -5.378 -6.277 420 HG21 VAL 56 HG21 VAL 56 -7.511 -1.252 -6.493 421 HG22 VAL 56 HG22 VAL 56 -8.961 -1.851 -7.304 422 HG23 VAL 56 HG23 VAL 56 -7.364 -2.298 -7.910 423 HA PRO 57 HA PRO 57 -6.734 -1.358 -1.539 424 HB2 PRO 57 HB2 PRO 57 -4.343 -2.663 -1.329 425 HB3 PRO 57 HB1 PRO 57 -5.806 -3.253 -0.543 426 HG2 PRO 57 HG2 PRO 57 -4.561 -4.121 -3.108 427 HG3 PRO 57 HG1 PRO 57 -5.285 -5.105 -1.820 428 HD2 PRO 57 HD2 PRO 57 -6.579 -4.512 -4.108 429 HD3 PRO 57 HD1 PRO 57 -7.440 -4.697 -2.559 430 H THR 58 HN THR 58 -5.395 0.353 -1.626 431 HA THR 58 HA THR 58 -3.561 0.487 -3.873 432 HB THR 58 HB THR 58 -5.142 2.815 -2.735 433 HG1 THR 58 HG1 THR 58 -5.790 0.829 -4.346 434 HG21 THR 58 HG21 THR 58 -3.495 2.551 -5.254 435 HG22 THR 58 HG22 THR 58 -3.013 3.460 -3.810 436 HG23 THR 58 HG23 THR 58 -4.415 3.966 -4.763 437 H VAL 59 HN VAL 59 -1.562 1.451 -3.311 438 HA VAL 59 HA VAL 59 -1.202 1.951 -0.445 439 HB VAL 59 HB VAL 59 1.184 1.381 -0.756 440 HG11 VAL 59 HG11 VAL 59 0.924 -1.004 -1.119 441 HG12 VAL 59 HG12 VAL 59 -0.709 -0.709 -1.749 442 HG13 VAL 59 HG13 VAL 59 -0.321 -0.330 -0.058 443 HG21 VAL 59 HG21 VAL 59 0.380 0.630 -3.558 444 HG22 VAL 59 HG22 VAL 59 1.960 0.328 -2.820 445 HG23 VAL 59 HG23 VAL 59 1.422 1.984 -3.115 446 H LYS 60 HN LYS 60 -0.534 3.881 0.170 447 HA LYS 60 HA LYS 60 0.584 5.671 -1.886 448 HB2 LYS 60 HB2 LYS 60 -1.460 6.507 -0.601 449 HB3 LYS 60 HB1 LYS 60 -0.460 6.454 0.842 450 HG2 LYS 60 HG2 LYS 60 1.158 7.982 -0.366 451 HG3 LYS 60 HG1 LYS 60 -0.088 8.193 -1.588 452 HD2 LYS 60 HD2 LYS 60 -0.282 10.024 -0.105 453 HD3 LYS 60 HD1 LYS 60 -1.618 8.941 0.282 454 HE2 LYS 60 HE2 LYS 60 -0.607 9.741 2.320 455 HE3 LYS 60 HE1 LYS 60 -0.292 8.021 2.166 456 HZ1 LYS 60 HZ1 LYS 60 1.994 8.592 1.370 457 HZ2 LYS 60 HZ2 LYS 60 1.676 9.205 2.890 458 HZ3 LYS 60 HZ3 LYS 60 1.633 10.229 1.587 459 H PHE 61 HN PHE 61 2.713 5.784 -1.715 460 HA PHE 61 HA PHE 61 3.986 4.778 0.658 461 HB2 PHE 61 HB2 PHE 61 5.157 6.023 -1.821 462 HB3 PHE 61 HB1 PHE 61 6.095 5.320 -0.515 463 HD1 PHE 61 HD2 PHE 61 3.783 4.629 -3.258 464 HD2 PHE 61 HD1 PHE 61 6.355 2.949 -0.311 465 HE1 PHE 61 HE2 PHE 61 3.650 2.479 -4.382 466 HE2 PHE 61 HE1 PHE 61 6.234 0.780 -1.442 467 HZ PHE 61 HZ PHE 61 4.885 0.538 -3.488 468 H ALA 62 HN ALA 62 5.985 6.193 1.374 469 HA ALA 62 HA ALA 62 4.935 8.492 2.633 470 HB1 ALA 62 HB1 ALA 62 7.179 8.802 3.531 471 HB2 ALA 62 HB2 ALA 62 7.816 7.635 2.375 472 HB3 ALA 62 HB3 ALA 62 6.702 7.106 3.637 473 H ASP 63 HN ASP 63 6.112 8.053 -0.479 474 HA ASP 63 HA ASP 63 7.113 10.747 -0.793 475 HB2 ASP 63 HB2 ASP 63 7.644 10.109 -3.089 476 HB3 ASP 63 HB1 ASP 63 8.220 8.855 -2.003 477 H GLY 64 HN GLY 64 4.215 9.021 -1.044 478 HA2 GLY 64 HA2 GLY 64 2.122 10.177 -1.137 479 HA3 GLY 64 HA1 GLY 64 2.887 11.406 -2.131 480 H SER 65 HN SER 65 3.971 8.515 -3.312 481 HA SER 65 HA SER 65 2.178 8.775 -5.544 482 HB2 SER 65 HB2 SER 65 4.662 8.494 -5.786 483 HB3 SER 65 HB1 SER 65 4.485 6.865 -5.147 484 HG SER 65 HG SER 65 3.223 7.906 -7.441 485 H THR 66 HN THR 66 0.793 7.155 -6.267 486 HA THR 66 HA THR 66 0.179 5.066 -4.314 487 HB THR 66 HB THR 66 -2.111 5.274 -5.578 488 HG1 THR 66 HG1 THR 66 -2.073 6.877 -6.950 489 HG21 THR 66 HG21 THR 66 -1.174 7.269 -3.510 490 HG22 THR 66 HG22 THR 66 -1.855 5.656 -3.206 491 HG23 THR 66 HG23 THR 66 -2.859 6.922 -3.901 492 H LEU 67 HN LEU 67 -0.075 3.038 -5.045 493 HA LEU 67 HA LEU 67 -0.159 2.553 -7.938 494 HB2 LEU 67 HB2 LEU 67 1.406 0.856 -5.957 495 HB3 LEU 67 HB1 LEU 67 1.168 0.489 -7.639 496 HG LEU 67 HG LEU 67 2.831 2.743 -6.515 497 HD11 LEU 67 HD11 LEU 67 3.604 0.261 -8.037 498 HD12 LEU 67 HD12 LEU 67 3.803 0.469 -6.310 499 HD13 LEU 67 HD13 LEU 67 4.708 1.491 -7.433 500 HD21 LEU 67 HD21 LEU 67 1.780 3.427 -8.620 501 HD22 LEU 67 HD22 LEU 67 2.356 1.946 -9.390 502 HD23 LEU 67 HD23 LEU 67 3.510 3.156 -8.835 503 H THR 68 HN THR 68 -1.540 0.957 -8.542 504 HA THR 68 HA THR 68 -3.615 0.235 -6.704 505 HB THR 68 HB THR 68 -3.155 -0.690 -9.558 506 HG1 THR 68 HG1 THR 68 -3.562 1.759 -8.497 507 HG21 THR 68 HG21 THR 68 -5.607 -0.761 -9.606 508 HG22 THR 68 HG22 THR 68 -5.663 -0.190 -7.937 509 HG23 THR 68 HG23 THR 68 -4.991 -1.780 -8.302 510 H ASN 69 HN ASN 69 -4.069 -1.959 -6.079 511 HA ASN 69 HA ASN 69 -2.687 -3.468 -4.711 512 HB2 ASN 69 HB2 ASN 69 -3.576 -5.653 -5.471 513 HB3 ASN 69 HB1 ASN 69 -4.790 -4.410 -5.275 514 HD21 ASN 69 HD21 ASN 69 -4.848 -6.907 -6.820 515 HD22 ASN 69 HD22 ASN 69 -5.176 -6.454 -8.455 516 HA PRO 70 HA PRO 70 1.055 -4.661 -6.861 517 HB2 PRO 70 HB2 PRO 70 2.709 -3.270 -5.262 518 HB3 PRO 70 HB1 PRO 70 1.892 -2.540 -6.644 519 HG2 PRO 70 HG2 PRO 70 1.447 -2.059 -3.796 520 HG3 PRO 70 HG1 PRO 70 0.818 -1.150 -5.186 521 HD2 PRO 70 HD2 PRO 70 -0.460 -3.225 -3.559 522 HD3 PRO 70 HD1 PRO 70 -1.182 -2.069 -4.702 523 H SER 71 HN SER 71 2.177 -6.406 -6.358 524 HA SER 71 HA SER 71 1.800 -7.686 -3.876 525 HB2 SER 71 HB2 SER 71 2.098 -8.926 -6.008 526 HB3 SER 71 HB1 SER 71 3.752 -8.330 -6.112 527 HG SER 71 HG SER 71 4.082 -10.153 -5.181 528 H ALA 72 HN ALA 72 3.949 -8.611 -2.888 529 HA ALA 72 HA ALA 72 4.940 -6.550 -1.295 530 HB1 ALA 72 HB1 ALA 72 4.757 -8.863 -0.586 531 HB2 ALA 72 HB2 ALA 72 6.370 -8.210 -0.310 532 HB3 ALA 72 HB3 ALA 72 6.082 -9.301 -1.668 533 H ASP 73 HN ASP 73 6.583 -8.219 -3.961 534 HA ASP 73 HA ASP 73 8.923 -6.631 -3.482 535 HB2 ASP 73 HB2 ASP 73 8.295 -8.523 -5.726 536 HB3 ASP 73 HB1 ASP 73 9.813 -7.639 -5.603 537 H GLU 74 HN GLU 74 6.123 -6.156 -5.236 538 HA GLU 74 HA GLU 74 7.143 -4.329 -7.180 539 HB2 GLU 74 HB2 GLU 74 4.351 -4.498 -6.026 540 HB3 GLU 74 HB1 GLU 74 4.811 -3.734 -7.541 541 HG2 GLU 74 HG2 GLU 74 5.021 -6.672 -6.943 542 HG3 GLU 74 HG1 GLU 74 3.708 -5.905 -7.832 543 H VAL 75 HN VAL 75 5.614 -4.061 -3.999 544 HA VAL 75 HA VAL 75 5.921 -1.234 -3.949 545 HB VAL 75 HB VAL 75 5.389 -1.391 -1.497 546 HG11 VAL 75 HG11 VAL 75 3.637 -0.968 -3.186 547 HG12 VAL 75 HG12 VAL 75 3.007 -1.973 -1.877 548 HG13 VAL 75 HG13 VAL 75 3.461 -2.708 -3.411 549 HG21 VAL 75 HG21 VAL 75 6.115 -3.693 -1.093 550 HG22 VAL 75 HG22 VAL 75 4.830 -4.257 -2.176 551 HG23 VAL 75 HG23 VAL 75 4.415 -3.470 -0.661 552 H LYS 76 HN LYS 76 7.822 -3.905 -2.746 553 HA LYS 76 HA LYS 76 9.658 -2.543 -1.157 554 HB2 LYS 76 HB2 LYS 76 9.976 -4.981 -2.892 555 HB3 LYS 76 HB1 LYS 76 11.287 -4.358 -1.901 556 HG2 LYS 76 HG2 LYS 76 10.097 -4.801 0.106 557 HG3 LYS 76 HG1 LYS 76 8.605 -5.104 -0.778 558 HD2 LYS 76 HD2 LYS 76 9.657 -7.184 0.014 559 HD3 LYS 76 HD1 LYS 76 9.570 -7.147 -1.740 560 HE2 LYS 76 HE2 LYS 76 11.942 -6.389 -1.749 561 HE3 LYS 76 HE1 LYS 76 11.950 -6.598 0.004 562 HZ1 LYS 76 HZ1 LYS 76 12.858 -8.496 -1.096 563 HZ2 LYS 76 HZ2 LYS 76 11.433 -8.718 -2.001 564 HZ3 LYS 76 HZ3 LYS 76 11.425 -8.914 -0.306 565 H ALA 77 HN ALA 77 9.508 -2.879 -4.634 566 HA ALA 77 HA ALA 77 11.995 -1.908 -5.357 567 HB1 ALA 77 HB1 ALA 77 9.384 -1.479 -6.804 568 HB2 ALA 77 HB2 ALA 77 10.402 -2.917 -6.924 569 HB3 ALA 77 HB3 ALA 77 10.997 -1.362 -7.505 570 H LYS 78 HN LYS 78 9.068 -0.092 -4.570 571 HA LYS 78 HA LYS 78 10.475 2.384 -5.029 572 HB2 LYS 78 HB2 LYS 78 7.658 1.791 -4.215 573 HB3 LYS 78 HB1 LYS 78 8.318 3.406 -4.003 574 HG2 LYS 78 HG2 LYS 78 8.865 3.481 -6.405 575 HG3 LYS 78 HG1 LYS 78 8.151 1.881 -6.598 576 HD2 LYS 78 HD2 LYS 78 6.622 3.646 -7.293 577 HD3 LYS 78 HD1 LYS 78 5.996 2.731 -5.919 578 HE2 LYS 78 HE2 LYS 78 5.560 5.133 -5.658 579 HE3 LYS 78 HE1 LYS 78 6.632 4.555 -4.397 580 HZ1 LYS 78 HZ1 LYS 78 7.342 6.668 -5.229 581 HZ2 LYS 78 HZ2 LYS 78 7.437 6.115 -6.809 582 HZ3 LYS 78 HZ3 LYS 78 8.501 5.518 -5.632 583 H LEU 79 HN LEU 79 9.361 0.510 -2.310 584 HA LEU 79 HA LEU 79 9.804 2.374 -0.277 585 HB2 LEU 79 HB2 LEU 79 8.474 0.306 -0.043 586 HB3 LEU 79 HB1 LEU 79 9.947 -0.633 -0.128 587 HG LEU 79 HG LEU 79 10.704 0.390 1.996 588 HD11 LEU 79 HD11 LEU 79 7.974 1.660 2.018 589 HD12 LEU 79 HD12 LEU 79 9.517 2.501 1.875 590 HD13 LEU 79 HD13 LEU 79 9.117 1.643 3.359 591 HD21 LEU 79 HD21 LEU 79 9.147 -0.800 3.447 592 HD22 LEU 79 HD22 LEU 79 9.507 -1.752 2.005 593 HD23 LEU 79 HD23 LEU 79 7.976 -0.888 2.136 594 H VAL 80 HN VAL 80 12.026 0.030 -1.750 595 HA VAL 80 HA VAL 80 14.129 0.341 0.084 596 HB VAL 80 HB VAL 80 13.961 -1.515 -1.591 597 HG11 VAL 80 HG11 VAL 80 14.785 -1.231 -3.871 598 HG12 VAL 80 HG12 VAL 80 14.873 0.510 -3.608 599 HG13 VAL 80 HG13 VAL 80 13.311 -0.312 -3.563 600 HG21 VAL 80 HG21 VAL 80 16.357 -1.666 -2.142 601 HG22 VAL 80 HG22 VAL 80 16.042 -1.233 -0.468 602 HG23 VAL 80 HG23 VAL 80 16.546 0.013 -1.636 603 H LYS 81 HN LYS 81 13.160 2.234 -2.658 604 HA LYS 81 HA LYS 81 15.543 3.841 -2.654 605 HB2 LYS 81 HB2 LYS 81 12.971 4.132 -4.214 606 HB3 LYS 81 HB1 LYS 81 14.390 5.155 -4.425 607 HG2 LYS 81 HG2 LYS 81 15.714 3.216 -5.081 608 HG3 LYS 81 HG1 LYS 81 14.329 2.172 -4.811 609 HD2 LYS 81 HD2 LYS 81 14.496 2.494 -7.156 610 HD3 LYS 81 HD1 LYS 81 13.130 3.451 -6.605 611 HE2 LYS 81 HE2 LYS 81 15.881 4.596 -7.092 612 HE3 LYS 81 HE1 LYS 81 14.638 4.527 -8.331 613 HZ1 LYS 81 HZ1 LYS 81 13.235 5.878 -6.736 614 HZ2 LYS 81 HZ2 LYS 81 14.534 6.632 -7.444 615 HZ3 LYS 81 HZ3 LYS 81 14.655 6.201 -5.853 616 H ILE 82 HN ILE 82 12.326 4.056 -1.342 617 HA ILE 82 HA ILE 82 12.496 6.818 -0.636 618 HB ILE 82 HB ILE 82 10.769 4.621 0.541 619 HG12 ILE 82 HG12 ILE 82 10.143 6.741 -1.519 620 HG13 ILE 82 HG11 ILE 82 10.423 5.033 -1.844 621 HG21 ILE 82 HG21 ILE 82 10.965 6.503 2.114 622 HG22 ILE 82 HG22 ILE 82 9.344 6.423 1.425 623 HG23 ILE 82 HG23 ILE 82 10.492 7.625 0.836 624 HD11 ILE 82 HD11 ILE 82 8.066 5.576 -1.875 625 HD12 ILE 82 HD12 ILE 82 8.177 6.177 -0.220 626 HD13 ILE 82 HD13 ILE 82 8.443 4.465 -0.558 627 H ALA 83 HN ALA 83 13.328 3.826 0.967 628 HA ALA 83 HA ALA 83 14.100 5.009 3.437 629 HB1 ALA 83 HB1 ALA 83 15.154 2.848 3.912 630 HB2 ALA 83 HB2 ALA 83 14.962 2.377 2.224 631 HB3 ALA 83 HB3 ALA 83 13.539 2.623 3.237 632 H GLY 84 HN GLY 84 15.511 4.849 0.352 633 HA2 GLY 84 HA2 GLY 84 17.374 5.843 -0.500 634 HA3 GLY 84 HA1 GLY 84 17.705 6.489 1.098 635 H LEU 85 HN LEU 85 17.277 3.128 0.817 636 HA LEU 85 HA LEU 85 19.978 2.756 1.734 637 HB2 LEU 85 HB2 LEU 85 17.793 0.748 1.238 638 HB3 LEU 85 HB1 LEU 85 19.361 0.354 1.917 639 HG LEU 85 HG LEU 85 17.285 2.152 3.179 640 HD11 LEU 85 HD11 LEU 85 16.600 -0.183 3.162 641 HD12 LEU 85 HD12 LEU 85 17.024 0.336 4.793 642 HD13 LEU 85 HD13 LEU 85 18.150 -0.651 3.862 643 HD21 LEU 85 HD21 LEU 85 18.724 2.057 5.158 644 HD22 LEU 85 HD22 LEU 85 19.565 2.796 3.798 645 HD23 LEU 85 HD23 LEU 85 19.917 1.129 4.250 646 H GLU 86 HN GLU 86 18.147 1.919 -1.166 647 HA GLU 86 HA GLU 86 20.590 0.848 -2.348 648 HB2 GLU 86 HB2 GLU 86 18.471 -0.309 -2.852 649 HB3 GLU 86 HB1 GLU 86 17.822 1.165 -3.548 650 HG2 GLU 86 HG2 GLU 86 19.442 1.091 -5.339 651 HG3 GLU 86 HG1 GLU 86 20.224 -0.307 -4.609 652 H HIS 87 HN HIS 87 18.306 3.491 -2.832 653 HA HIS 87 HA HIS 87 20.251 5.338 -3.639 654 HB2 HIS 87 HB2 HIS 87 19.915 3.850 -5.747 655 HB3 HIS 87 HB1 HIS 87 18.275 4.471 -5.787 656 HD1 HIS 87 HD1 HIS 87 21.770 5.350 -6.658 657 HD2 HIS 87 HD2 HIS 87 18.067 7.207 -6.486 658 HE1 HIS 87 HE1 HIS 87 22.022 7.522 -7.918 659 H HIS 88 HN HIS 88 18.935 7.369 -4.239 660 HA HIS 88 HA HIS 88 16.514 7.402 -2.617 661 HB2 HIS 88 HB2 HIS 88 18.155 9.708 -3.710 662 HB3 HIS 88 HB1 HIS 88 16.783 9.846 -2.623 663 HD1 HIS 88 HD1 HIS 88 20.418 9.587 -2.604 664 HD2 HIS 88 HD2 HIS 88 17.307 8.623 -0.021 665 HE1 HIS 88 HE1 HIS 88 21.466 9.303 -0.324 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 11.802 11.324 7.226 2 H2 MET 1 HT2 MET 1 10.551 12.380 7.571 3 H3 MET 1 HT3 MET 1 11.928 12.939 6.776 4 HA MET 1 HA MET 1 10.089 12.725 5.262 5 HB2 MET 1 HB2 MET 1 12.301 12.401 4.342 6 HB3 MET 1 HB1 MET 1 12.318 10.724 4.870 7 HG2 MET 1 HG2 MET 1 10.451 10.245 3.337 8 HG3 MET 1 HG1 MET 1 10.508 11.913 2.776 9 HE1 MET 1 HE1 MET 1 13.920 12.098 0.926 10 HE2 MET 1 HE2 MET 1 13.572 12.574 2.588 11 HE3 MET 1 HE3 MET 1 12.407 12.921 1.309 12 H VAL 2 HN VAL 2 10.956 9.584 6.754 13 HA VAL 2 HA VAL 2 8.277 8.668 6.053 14 HB VAL 2 HB VAL 2 9.849 7.527 4.555 15 HG11 VAL 2 HG11 VAL 2 11.910 7.774 5.790 16 HG12 VAL 2 HG12 VAL 2 11.642 6.078 5.396 17 HG13 VAL 2 HG13 VAL 2 11.333 6.663 7.032 18 HG21 VAL 2 HG21 VAL 2 7.977 6.211 5.370 19 HG22 VAL 2 HG22 VAL 2 8.914 5.715 6.779 20 HG23 VAL 2 HG23 VAL 2 9.398 5.186 5.167 21 H THR 3 HN THR 3 7.095 8.585 7.465 22 HA THR 3 HA THR 3 8.002 7.917 10.140 23 HB THR 3 HB THR 3 5.223 8.755 9.383 24 HG1 THR 3 HG1 THR 3 7.593 10.105 8.988 25 HG21 THR 3 HG21 THR 3 7.152 9.413 11.518 26 HG22 THR 3 HG22 THR 3 5.894 8.162 11.646 27 HG23 THR 3 HG23 THR 3 5.445 9.890 11.509 28 H ALA 4 HN ALA 4 5.679 7.161 7.610 29 HA ALA 4 HA ALA 4 5.482 4.404 8.528 30 HB1 ALA 4 HB1 ALA 4 3.351 5.550 9.014 31 HB2 ALA 4 HB2 ALA 4 3.144 4.427 7.668 32 HB3 ALA 4 HB3 ALA 4 3.294 6.155 7.358 33 H ALA 5 HN ALA 5 6.005 3.049 6.912 34 HA ALA 5 HA ALA 5 7.327 4.011 4.646 35 HB1 ALA 5 HB1 ALA 5 6.256 1.267 5.264 36 HB2 ALA 5 HB2 ALA 5 7.874 1.875 5.624 37 HB3 ALA 5 HB3 ALA 5 7.363 1.626 3.951 38 H LEU 6 HN LEU 6 4.215 2.291 4.834 39 HA LEU 6 HA LEU 6 3.183 3.873 2.683 40 HB2 LEU 6 HB2 LEU 6 2.438 1.970 1.332 41 HB3 LEU 6 HB1 LEU 6 4.177 2.010 1.429 42 HG LEU 6 HG LEU 6 2.553 0.157 3.184 43 HD11 LEU 6 HD11 LEU 6 3.629 -0.339 0.426 44 HD12 LEU 6 HD12 LEU 6 1.933 -0.322 0.912 45 HD13 LEU 6 HD13 LEU 6 3.010 -1.585 1.512 46 HD21 LEU 6 HD21 LEU 6 4.889 0.498 3.801 47 HD22 LEU 6 HD22 LEU 6 5.396 0.070 2.170 48 HD23 LEU 6 HD23 LEU 6 4.627 -1.139 3.205 49 H THR 7 HN THR 7 1.067 4.146 2.878 50 HA THR 7 HA THR 7 -0.250 2.806 5.122 51 HB THR 7 HB THR 7 -1.130 5.304 3.647 52 HG1 THR 7 HG1 THR 7 0.924 4.908 5.249 53 HG21 THR 7 HG21 THR 7 -2.474 5.675 5.677 54 HG22 THR 7 HG22 THR 7 -1.836 4.185 6.376 55 HG23 THR 7 HG23 THR 7 -2.875 4.116 4.953 56 H ILE 8 HN ILE 8 -1.596 1.272 4.614 57 HA ILE 8 HA ILE 8 -2.446 0.853 1.879 58 HB ILE 8 HB ILE 8 -2.686 -0.847 4.370 59 HG12 ILE 8 HG12 ILE 8 -1.034 -1.286 1.895 60 HG13 ILE 8 HG11 ILE 8 -0.394 -0.615 3.399 61 HG21 ILE 8 HG21 ILE 8 -3.606 -1.469 1.595 62 HG22 ILE 8 HG22 ILE 8 -4.555 -1.302 3.091 63 HG23 ILE 8 HG23 ILE 8 -3.429 -2.647 2.907 64 HD11 ILE 8 HD11 ILE 8 0.128 -2.963 3.180 65 HD12 ILE 8 HD12 ILE 8 -1.584 -3.351 3.001 66 HD13 ILE 8 HD13 ILE 8 -0.977 -2.707 4.528 67 H TYR 9 HN TYR 9 -4.286 1.546 1.165 68 HA TYR 9 HA TYR 9 -6.527 1.944 3.015 69 HB2 TYR 9 HB2 TYR 9 -6.146 2.847 0.166 70 HB3 TYR 9 HB1 TYR 9 -7.579 3.149 1.136 71 HD1 TYR 9 HD2 TYR 9 -6.861 4.255 3.544 72 HD2 TYR 9 HD1 TYR 9 -4.783 4.605 -0.142 73 HE1 TYR 9 HE2 TYR 9 -5.871 6.331 4.329 74 HE2 TYR 9 HE1 TYR 9 -3.780 6.683 0.602 75 HH TYR 9 HH TYR 9 -3.862 7.717 3.835 76 H THR 10 HN THR 10 -7.984 0.464 3.122 77 HA THR 10 HA THR 10 -8.905 -0.926 0.828 78 HB THR 10 HB THR 10 -6.852 -2.241 1.295 79 HG1 THR 10 HG1 THR 10 -8.885 -3.934 2.216 80 HG21 THR 10 HG21 THR 10 -6.615 -3.512 3.386 81 HG22 THR 10 HG22 THR 10 -8.074 -2.748 4.012 82 HG23 THR 10 HG23 THR 10 -6.637 -1.775 3.704 83 H THR 11 HN THR 11 -10.566 -2.533 1.584 84 HA THR 11 HA THR 11 -11.878 -1.635 4.008 85 HB THR 11 HB THR 11 -13.786 -2.966 2.884 86 HG1 THR 11 HG1 THR 11 -13.430 -2.896 0.502 87 HG21 THR 11 HG21 THR 11 -13.755 -0.507 2.995 88 HG22 THR 11 HG22 THR 11 -14.402 -1.066 1.450 89 HG23 THR 11 HG23 THR 11 -12.744 -0.468 1.554 90 H SER 12 HN SER 12 -12.469 -3.267 5.503 91 HA SER 12 HA SER 12 -10.809 -5.531 5.609 92 HB2 SER 12 HB2 SER 12 -11.756 -4.449 7.634 93 HB3 SER 12 HB1 SER 12 -13.359 -5.012 7.172 94 HG SER 12 HG SER 12 -12.564 -7.150 7.347 95 H TRP 13 HN TRP 13 -13.812 -4.995 4.046 96 HA TRP 13 HA TRP 13 -14.380 -7.821 3.827 97 HB2 TRP 13 HB2 TRP 13 -16.361 -7.101 2.440 98 HB3 TRP 13 HB1 TRP 13 -16.346 -6.505 4.089 99 HD1 TRP 13 HD1 TRP 13 -16.361 -3.920 4.430 100 HE1 TRP 13 HE1 TRP 13 -16.621 -1.910 2.871 101 HE3 TRP 13 HE3 TRP 13 -15.672 -6.284 -0.059 102 HZ2 TRP 13 HZ2 TRP 13 -16.540 -1.383 0.098 103 HZ3 TRP 13 HZ3 TRP 13 -15.778 -4.945 -2.110 104 HH2 TRP 13 HH2 TRP 13 -16.201 -2.552 -2.034 105 H CYS 14 HN CYS 14 -12.141 -6.078 2.390 106 HA CYS 14 HA CYS 14 -12.613 -6.954 -0.324 107 HB2 CYS 14 HB2 CYS 14 -11.536 -4.758 0.049 108 HB3 CYS 14 HB1 CYS 14 -10.213 -5.537 0.898 109 HG CYS 14 HG CYS 14 -10.658 -5.048 -2.346 110 H GLY 15 HN GLY 15 -11.792 -8.753 -1.201 111 HA2 GLY 15 HA2 GLY 15 -10.541 -10.690 0.471 112 HA3 GLY 15 HA1 GLY 15 -10.865 -10.849 -1.251 113 H TYR 16 HN TYR 16 -9.469 -8.415 -1.959 114 HA TYR 16 HA TYR 16 -6.871 -9.500 -2.254 115 HB2 TYR 16 HB2 TYR 16 -8.003 -6.818 -2.903 116 HB3 TYR 16 HB1 TYR 16 -6.285 -7.142 -3.090 117 HD1 TYR 16 HD2 TYR 16 -5.758 -9.318 -4.460 118 HD2 TYR 16 HD1 TYR 16 -9.384 -7.113 -4.700 119 HE1 TYR 16 HE2 TYR 16 -6.174 -10.252 -6.705 120 HE2 TYR 16 HE1 TYR 16 -9.818 -8.039 -6.929 121 HH TYR 16 HH TYR 16 -8.593 -8.995 -8.771 122 H CYS 17 HN CYS 17 -8.274 -7.711 0.231 123 HA CYS 17 HA CYS 17 -6.116 -6.278 1.232 124 HB2 CYS 17 HB2 CYS 17 -8.392 -5.964 2.065 125 HB3 CYS 17 HB1 CYS 17 -8.398 -7.592 2.730 126 HG CYS 17 HG CYS 17 -7.545 -6.922 5.027 127 H LEU 18 HN LEU 18 -7.186 -9.509 2.142 128 HA LEU 18 HA LEU 18 -4.876 -9.914 3.726 129 HB2 LEU 18 HB2 LEU 18 -5.733 -12.294 3.889 130 HB3 LEU 18 HB1 LEU 18 -6.754 -11.021 4.516 131 HG LEU 18 HG LEU 18 -8.033 -11.160 2.327 132 HD11 LEU 18 HD11 LEU 18 -6.441 -12.298 1.018 133 HD12 LEU 18 HD12 LEU 18 -7.928 -13.249 1.107 134 HD13 LEU 18 HD13 LEU 18 -6.504 -13.726 2.053 135 HD21 LEU 18 HD21 LEU 18 -8.909 -11.990 4.394 136 HD22 LEU 18 HD22 LEU 18 -8.036 -13.511 4.192 137 HD23 LEU 18 HD23 LEU 18 -9.339 -13.078 3.074 138 H ARG 19 HN ARG 19 -5.496 -10.351 0.418 139 HA ARG 19 HA ARG 19 -3.524 -12.306 -0.219 140 HB2 ARG 19 HB2 ARG 19 -4.460 -9.993 -1.934 141 HB3 ARG 19 HB1 ARG 19 -3.620 -11.425 -2.503 142 HG2 ARG 19 HG2 ARG 19 -6.378 -11.352 -1.298 143 HG3 ARG 19 HG1 ARG 19 -5.998 -11.509 -3.013 144 HD2 ARG 19 HD2 ARG 19 -4.945 -13.648 -2.607 145 HD3 ARG 19 HD1 ARG 19 -5.182 -13.466 -0.868 146 HE ARG 19 HE ARG 19 -7.608 -13.240 -2.320 147 HH11 ARG 19 HH11 ARG 19 -5.349 -15.660 -0.947 148 HH12 ARG 19 HH12 ARG 19 -6.541 -16.858 -0.837 149 HH21 ARG 19 HH21 ARG 19 -9.220 -14.946 -2.090 150 HH22 ARG 19 HH22 ARG 19 -8.750 -16.447 -1.458 151 H LEU 20 HN LEU 20 -3.577 -8.815 -0.267 152 HA LEU 20 HA LEU 20 -0.904 -8.359 -0.865 153 HB2 LEU 20 HB2 LEU 20 -2.549 -6.696 -1.221 154 HB3 LEU 20 HB1 LEU 20 -3.041 -6.735 0.457 155 HG LEU 20 HG LEU 20 -0.888 -5.815 1.088 156 HD11 LEU 20 HD11 LEU 20 0.477 -6.514 -0.830 157 HD12 LEU 20 HD12 LEU 20 0.561 -4.773 -0.643 158 HD13 LEU 20 HD13 LEU 20 -0.461 -5.471 -1.896 159 HD21 LEU 20 HD21 LEU 20 -1.379 -3.568 0.412 160 HD22 LEU 20 HD22 LEU 20 -2.871 -4.440 0.784 161 HD23 LEU 20 HD23 LEU 20 -2.410 -4.153 -0.897 162 H LYS 21 HN LYS 21 -2.605 -8.626 2.245 163 HA LYS 21 HA LYS 21 -0.471 -7.846 3.914 164 HB2 LYS 21 HB2 LYS 21 -2.565 -9.915 4.612 165 HB3 LYS 21 HB1 LYS 21 -1.581 -9.014 5.750 166 HG2 LYS 21 HG2 LYS 21 -3.755 -7.931 3.973 167 HG3 LYS 21 HG1 LYS 21 -3.819 -8.165 5.714 168 HD2 LYS 21 HD2 LYS 21 -2.072 -6.454 6.000 169 HD3 LYS 21 HD1 LYS 21 -2.004 -6.250 4.252 170 HE2 LYS 21 HE2 LYS 21 -3.379 -4.517 5.298 171 HE3 LYS 21 HE1 LYS 21 -4.330 -5.533 4.206 172 HZ1 LYS 21 HZ1 LYS 21 -5.572 -5.174 6.209 173 HZ2 LYS 21 HZ2 LYS 21 -4.289 -5.562 7.168 174 HZ3 LYS 21 HZ3 LYS 21 -5.054 -6.779 6.258 175 H THR 22 HN THR 22 -1.345 -10.988 2.600 176 HA THR 22 HA THR 22 0.571 -12.561 3.899 177 HB THR 22 HB THR 22 -0.593 -12.898 1.118 178 HG1 THR 22 HG1 THR 22 -2.155 -12.826 2.859 179 HG21 THR 22 HG21 THR 22 0.733 -14.938 2.933 180 HG22 THR 22 HG22 THR 22 1.380 -14.318 1.416 181 HG23 THR 22 HG23 THR 22 -0.086 -15.302 1.413 182 H ALA 23 HN ALA 23 0.698 -10.762 0.857 183 HA ALA 23 HA ALA 23 3.245 -11.605 0.031 184 HB1 ALA 23 HB1 ALA 23 3.126 -9.777 -1.567 185 HB2 ALA 23 HB2 ALA 23 1.810 -9.041 -0.655 186 HB3 ALA 23 HB3 ALA 23 1.563 -10.589 -1.456 187 H LEU 24 HN LEU 24 2.235 -8.649 1.720 188 HA LEU 24 HA LEU 24 4.876 -7.576 1.831 189 HB2 LEU 24 HB2 LEU 24 2.562 -6.933 3.621 190 HB3 LEU 24 HB1 LEU 24 4.015 -5.984 3.474 191 HG LEU 24 HG LEU 24 1.845 -6.314 1.409 192 HD11 LEU 24 HD11 LEU 24 2.871 -3.956 2.962 193 HD12 LEU 24 HD12 LEU 24 1.346 -4.773 3.240 194 HD13 LEU 24 HD13 LEU 24 1.622 -3.870 1.733 195 HD21 LEU 24 HD21 LEU 24 4.485 -4.861 1.168 196 HD22 LEU 24 HD22 LEU 24 3.102 -4.609 0.128 197 HD23 LEU 24 HD23 LEU 24 3.884 -6.171 0.126 198 H THR 25 HN THR 25 3.025 -9.378 4.246 199 HA THR 25 HA THR 25 4.963 -9.157 6.241 200 HB THR 25 HB THR 25 2.917 -11.352 5.818 201 HG1 THR 25 HG1 THR 25 1.556 -9.824 6.207 202 HG21 THR 25 HG21 THR 25 4.275 -10.356 8.341 203 HG22 THR 25 HG22 THR 25 4.601 -11.899 7.549 204 HG23 THR 25 HG23 THR 25 3.022 -11.594 8.277 205 H ALA 26 HN ALA 26 4.579 -11.418 3.570 206 HA ALA 26 HA ALA 26 6.533 -13.306 4.322 207 HB1 ALA 26 HB1 ALA 26 5.615 -12.515 1.561 208 HB2 ALA 26 HB2 ALA 26 4.873 -13.749 2.580 209 HB3 ALA 26 HB3 ALA 26 6.511 -13.977 1.963 210 H ASN 27 HN ASN 27 6.780 -10.136 2.947 211 HA ASN 27 HA ASN 27 9.640 -10.573 2.446 212 HB2 ASN 27 HB2 ASN 27 7.806 -8.401 1.426 213 HB3 ASN 27 HB1 ASN 27 9.553 -8.287 1.306 214 HD21 ASN 27 HD21 ASN 27 7.494 -11.119 0.813 215 HD22 ASN 27 HD22 ASN 27 7.916 -11.382 -0.835 216 H ARG 28 HN ARG 28 7.910 -9.887 4.957 217 HA ARG 28 HA ARG 28 8.136 -8.780 6.908 218 HB2 ARG 28 HB2 ARG 28 11.013 -8.668 5.994 219 HB3 ARG 28 HB1 ARG 28 10.482 -8.267 7.619 220 HG2 ARG 28 HG2 ARG 28 9.701 -10.551 7.938 221 HG3 ARG 28 HG1 ARG 28 10.178 -10.953 6.288 222 HD2 ARG 28 HD2 ARG 28 11.869 -11.680 7.894 223 HD3 ARG 28 HD1 ARG 28 12.494 -10.433 6.818 224 HE ARG 28 HE ARG 28 11.446 -9.580 9.391 225 HH11 ARG 28 HH11 ARG 28 14.318 -10.276 7.433 226 HH12 ARG 28 HH12 ARG 28 15.378 -9.396 8.438 227 HH21 ARG 28 HH21 ARG 28 12.956 -8.399 10.797 228 HH22 ARG 28 HH22 ARG 28 14.593 -8.337 10.370 229 H ILE 29 HN ILE 29 7.177 -7.185 4.900 230 HA ILE 29 HA ILE 29 8.653 -4.701 4.876 231 HB ILE 29 HB ILE 29 5.997 -5.442 3.604 232 HG12 ILE 29 HG12 ILE 29 8.747 -5.131 2.389 233 HG13 ILE 29 HG11 ILE 29 7.984 -6.666 2.778 234 HG21 ILE 29 HG21 ILE 29 7.711 -2.984 3.159 235 HG22 ILE 29 HG22 ILE 29 6.158 -3.006 3.990 236 HG23 ILE 29 HG23 ILE 29 6.243 -3.394 2.270 237 HD11 ILE 29 HD11 ILE 29 7.046 -4.651 0.753 238 HD12 ILE 29 HD12 ILE 29 6.238 -6.173 1.148 239 HD13 ILE 29 HD13 ILE 29 7.845 -6.196 0.437 240 H ALA 30 HN ALA 30 8.157 -2.867 5.941 241 HA ALA 30 HA ALA 30 6.330 -3.034 8.161 242 HB1 ALA 30 HB1 ALA 30 8.516 -1.981 8.469 243 HB2 ALA 30 HB2 ALA 30 7.230 -0.791 8.693 244 HB3 ALA 30 HB3 ALA 30 8.147 -0.824 7.191 245 H TYR 31 HN TYR 31 4.224 -2.431 7.938 246 HA TYR 31 HA TYR 31 3.652 -0.332 6.027 247 HB2 TYR 31 HB2 TYR 31 1.729 -1.563 5.097 248 HB3 TYR 31 HB1 TYR 31 3.241 -2.393 4.789 249 HD1 TYR 31 HD2 TYR 31 0.089 -2.490 6.700 250 HD2 TYR 31 HD1 TYR 31 3.652 -4.587 5.712 251 HE1 TYR 31 HE2 TYR 31 -0.900 -4.552 7.594 252 HE2 TYR 31 HE1 TYR 31 2.675 -6.675 6.605 253 HH TYR 31 HH TYR 31 0.984 -7.416 8.069 254 H ASP 32 HN ASP 32 1.368 0.418 6.257 255 HA ASP 32 HA ASP 32 0.320 0.088 8.968 256 HB2 ASP 32 HB2 ASP 32 1.610 2.246 8.797 257 HB3 ASP 32 HB1 ASP 32 0.566 2.713 7.464 258 H GLU 33 HN GLU 33 -1.981 0.137 8.970 259 HA GLU 33 HA GLU 33 -3.240 0.427 6.354 260 HB2 GLU 33 HB2 GLU 33 -4.564 -1.617 6.777 261 HB3 GLU 33 HB1 GLU 33 -2.852 -1.951 6.603 262 HG2 GLU 33 HG2 GLU 33 -2.631 -2.180 9.016 263 HG3 GLU 33 HG1 GLU 33 -4.332 -1.780 9.221 264 H VAL 34 HN VAL 34 -5.161 1.356 6.380 265 HA VAL 34 HA VAL 34 -6.562 1.679 8.891 266 HB VAL 34 HB VAL 34 -5.205 3.761 8.574 267 HG11 VAL 34 HG11 VAL 34 -6.732 4.157 6.030 268 HG12 VAL 34 HG12 VAL 34 -5.005 3.773 6.157 269 HG13 VAL 34 HG13 VAL 34 -5.621 5.309 6.764 270 HG21 VAL 34 HG21 VAL 34 -8.153 4.165 8.174 271 HG22 VAL 34 HG22 VAL 34 -7.019 5.417 8.653 272 HG23 VAL 34 HG23 VAL 34 -7.303 4.031 9.721 273 H ASP 35 HN ASP 35 -8.875 1.764 8.530 274 HA ASP 35 HA ASP 35 -9.457 0.604 5.918 275 HB2 ASP 35 HB2 ASP 35 -10.308 -0.365 8.149 276 HB3 ASP 35 HB1 ASP 35 -11.449 0.972 8.146 277 H ILE 36 HN ILE 36 -10.839 1.451 4.505 278 HA ILE 36 HA ILE 36 -11.131 4.314 4.648 279 HB ILE 36 HB ILE 36 -11.790 4.225 2.314 280 HG12 ILE 36 HG12 ILE 36 -11.473 1.225 2.574 281 HG13 ILE 36 HG11 ILE 36 -13.021 2.051 2.463 282 HG21 ILE 36 HG21 ILE 36 -9.380 2.561 3.028 283 HG22 ILE 36 HG22 ILE 36 -9.438 4.318 2.881 284 HG23 ILE 36 HG23 ILE 36 -9.664 3.302 1.459 285 HD11 ILE 36 HD11 ILE 36 -12.366 2.883 0.245 286 HD12 ILE 36 HD12 ILE 36 -12.458 1.130 0.342 287 HD13 ILE 36 HD13 ILE 36 -10.880 1.925 0.357 288 H GLU 37 HN GLU 37 -13.068 1.738 5.529 289 HA GLU 37 HA GLU 37 -15.541 2.747 4.652 290 HB2 GLU 37 HB2 GLU 37 -14.792 0.428 5.684 291 HB3 GLU 37 HB1 GLU 37 -15.358 1.178 7.172 292 HG2 GLU 37 HG2 GLU 37 -17.137 -0.103 6.223 293 HG3 GLU 37 HG1 GLU 37 -17.521 1.618 6.067 294 H HIS 38 HN HIS 38 -13.465 3.266 7.341 295 HA HIS 38 HA HIS 38 -15.414 4.797 8.869 296 HB2 HIS 38 HB2 HIS 38 -12.490 4.293 9.492 297 HB3 HIS 38 HB1 HIS 38 -13.713 4.904 10.598 298 HD1 HIS 38 HD1 HIS 38 -11.939 1.905 10.036 299 HD2 HIS 38 HD2 HIS 38 -15.958 2.784 10.685 300 HE1 HIS 38 HE1 HIS 38 -13.019 -0.242 10.768 301 H ASN 39 HN ASN 39 -13.106 5.329 6.466 302 HA ASN 39 HA ASN 39 -12.994 8.201 7.093 303 HB2 ASN 39 HB2 ASN 39 -10.765 6.570 5.853 304 HB3 ASN 39 HB1 ASN 39 -10.751 8.312 6.066 305 HD21 ASN 39 HD21 ASN 39 -10.306 5.219 7.557 306 HD22 ASN 39 HD22 ASN 39 -9.766 5.829 9.069 307 H ARG 40 HN ARG 40 -14.575 8.798 5.685 308 HA ARG 40 HA ARG 40 -14.864 7.661 3.122 309 HB2 ARG 40 HB2 ARG 40 -16.754 8.743 4.278 310 HB3 ARG 40 HB1 ARG 40 -15.961 10.305 4.100 311 HG2 ARG 40 HG2 ARG 40 -16.083 10.133 1.694 312 HG3 ARG 40 HG1 ARG 40 -16.799 8.532 1.817 313 HD2 ARG 40 HD2 ARG 40 -18.715 9.555 3.014 314 HD3 ARG 40 HD1 ARG 40 -17.992 11.144 2.729 315 HE ARG 40 HE ARG 40 -18.150 9.810 0.305 316 HH11 ARG 40 HH11 ARG 40 -20.356 11.227 2.664 317 HH12 ARG 40 HH12 ARG 40 -21.569 11.601 1.543 318 HH21 ARG 40 HH21 ARG 40 -19.809 10.244 -1.254 319 HH22 ARG 40 HH22 ARG 40 -21.249 11.014 -0.784 320 H ALA 41 HN ALA 41 -13.128 10.487 4.271 321 HA ALA 41 HA ALA 41 -12.544 11.595 1.750 322 HB1 ALA 41 HB1 ALA 41 -10.683 12.711 2.852 323 HB2 ALA 41 HB2 ALA 41 -10.901 11.695 4.277 324 HB3 ALA 41 HB3 ALA 41 -12.160 12.850 3.811 325 H ALA 42 HN ALA 42 -10.876 9.209 3.722 326 HA ALA 42 HA ALA 42 -8.718 8.817 1.938 327 HB1 ALA 42 HB1 ALA 42 -8.613 8.113 4.313 328 HB2 ALA 42 HB2 ALA 42 -8.241 6.796 3.206 329 HB3 ALA 42 HB3 ALA 42 -9.821 6.871 3.982 330 H ALA 43 HN ALA 43 -11.871 7.318 2.319 331 HA ALA 43 HA ALA 43 -11.603 5.283 0.401 332 HB1 ALA 43 HB1 ALA 43 -14.028 5.178 0.411 333 HB2 ALA 43 HB2 ALA 43 -14.110 6.752 1.198 334 HB3 ALA 43 HB3 ALA 43 -13.439 5.375 2.063 335 H GLU 44 HN GLU 44 -12.726 8.607 0.140 336 HA GLU 44 HA GLU 44 -13.448 8.611 -2.572 337 HB2 GLU 44 HB2 GLU 44 -13.893 10.397 -0.821 338 HB3 GLU 44 HB1 GLU 44 -12.225 10.906 -1.036 339 HG2 GLU 44 HG2 GLU 44 -13.555 12.359 -2.337 340 HG3 GLU 44 HG1 GLU 44 -12.758 11.261 -3.462 341 H PHE 45 HN PHE 45 -10.437 9.174 -0.892 342 HA PHE 45 HA PHE 45 -8.836 9.958 -3.048 343 HB2 PHE 45 HB2 PHE 45 -8.179 10.286 -0.686 344 HB3 PHE 45 HB1 PHE 45 -8.106 8.551 -0.480 345 HD1 PHE 45 HD1 PHE 45 -6.575 11.282 -2.456 346 HD2 PHE 45 HD2 PHE 45 -6.139 7.377 -0.821 347 HE1 PHE 45 HE1 PHE 45 -4.211 11.250 -3.143 348 HE2 PHE 45 HE2 PHE 45 -3.799 7.356 -1.491 349 HZ PHE 45 HZ PHE 45 -2.825 9.278 -2.649 350 H VAL 46 HN VAL 46 -9.030 6.795 -1.432 351 HA VAL 46 HA VAL 46 -7.454 5.434 -3.341 352 HB VAL 46 HB VAL 46 -7.626 4.535 -1.098 353 HG11 VAL 46 HG11 VAL 46 -9.633 3.388 -0.424 354 HG12 VAL 46 HG12 VAL 46 -10.506 4.217 -1.735 355 HG13 VAL 46 HG13 VAL 46 -9.733 5.151 -0.415 356 HG21 VAL 46 HG21 VAL 46 -9.071 2.627 -2.834 357 HG22 VAL 46 HG22 VAL 46 -7.927 2.271 -1.514 358 HG23 VAL 46 HG23 VAL 46 -7.372 3.035 -3.031 359 H GLY 47 HN GLY 47 -10.875 6.053 -3.279 360 HA2 GLY 47 HA2 GLY 47 -11.648 4.176 -5.222 361 HA3 GLY 47 HA1 GLY 47 -12.494 5.677 -4.858 362 H SER 48 HN SER 48 -10.323 7.439 -5.559 363 HA SER 48 HA SER 48 -10.785 7.428 -8.393 364 HB2 SER 48 HB2 SER 48 -9.542 9.639 -8.281 365 HB3 SER 48 HB1 SER 48 -11.043 9.539 -7.361 366 HG SER 48 HG SER 48 -8.653 8.877 -6.018 367 H VAL 49 HN VAL 49 -8.353 6.198 -6.421 368 HA VAL 49 HA VAL 49 -6.443 6.245 -8.659 369 HB VAL 49 HB VAL 49 -4.655 5.717 -6.973 370 HG11 VAL 49 HG11 VAL 49 -5.020 8.030 -7.628 371 HG12 VAL 49 HG12 VAL 49 -4.589 7.935 -5.908 372 HG13 VAL 49 HG13 VAL 49 -6.269 8.182 -6.389 373 HG21 VAL 49 HG21 VAL 49 -5.112 5.943 -4.604 374 HG22 VAL 49 HG22 VAL 49 -6.164 4.686 -5.295 375 HG23 VAL 49 HG23 VAL 49 -6.796 6.299 -4.967 376 H ASN 50 HN ASN 50 -8.763 4.526 -7.825 377 HA ASN 50 HA ASN 50 -7.499 1.960 -7.479 378 HB2 ASN 50 HB2 ASN 50 -10.009 3.031 -6.737 379 HB3 ASN 50 HB1 ASN 50 -10.341 1.743 -7.888 380 HD21 ASN 50 HD21 ASN 50 -7.673 1.933 -5.578 381 HD22 ASN 50 HD22 ASN 50 -8.182 0.542 -4.694 382 H GLY 51 HN GLY 51 -9.118 0.260 -8.836 383 HA2 GLY 51 HA2 GLY 51 -8.529 0.958 -11.610 384 HA3 GLY 51 HA1 GLY 51 -8.714 -0.672 -10.968 385 H GLY 52 HN GLY 52 -10.670 2.317 -11.057 386 HA2 GLY 52 HA2 GLY 52 -12.530 2.362 -12.627 387 HA3 GLY 52 HA1 GLY 52 -12.827 0.682 -12.209 388 H ASN 53 HN ASN 53 -12.872 0.562 -9.607 389 HA ASN 53 HA ASN 53 -14.643 2.636 -8.548 390 HB2 ASN 53 HB2 ASN 53 -15.934 0.714 -9.750 391 HB3 ASN 53 HB1 ASN 53 -15.357 -0.299 -8.444 392 HD21 ASN 53 HD21 ASN 53 -17.558 2.150 -9.372 393 HD22 ASN 53 HD22 ASN 53 -18.481 2.191 -7.916 394 H ARG 54 HN ARG 54 -14.909 2.079 -6.102 395 HA ARG 54 HA ARG 54 -12.346 1.298 -5.128 396 HB2 ARG 54 HB2 ARG 54 -13.138 1.732 -2.842 397 HB3 ARG 54 HB1 ARG 54 -13.605 3.048 -3.891 398 HG2 ARG 54 HG2 ARG 54 -15.485 0.847 -3.001 399 HG3 ARG 54 HG1 ARG 54 -15.304 2.378 -2.158 400 HD2 ARG 54 HD2 ARG 54 -16.266 1.996 -5.002 401 HD3 ARG 54 HD1 ARG 54 -17.262 2.393 -3.607 402 HE ARG 54 HE ARG 54 -15.455 4.366 -3.592 403 HH11 ARG 54 HH11 ARG 54 -17.676 3.206 -6.107 404 HH12 ARG 54 HH12 ARG 54 -17.724 4.700 -6.910 405 HH21 ARG 54 HH21 ARG 54 -15.577 6.387 -4.678 406 HH22 ARG 54 HH22 ARG 54 -16.504 6.539 -6.099 407 H THR 55 HN THR 55 -11.732 -0.661 -5.281 408 HA THR 55 HA THR 55 -13.351 -2.762 -4.100 409 HB THR 55 HB THR 55 -14.078 -2.753 -6.424 410 HG1 THR 55 HG1 THR 55 -13.877 -4.728 -5.396 411 HG21 THR 55 HG21 THR 55 -12.140 -1.753 -7.511 412 HG22 THR 55 HG22 THR 55 -12.536 -3.289 -8.282 413 HG23 THR 55 HG23 THR 55 -11.177 -3.186 -7.160 414 H VAL 56 HN VAL 56 -10.218 -1.645 -5.284 415 HA VAL 56 HA VAL 56 -9.003 -3.963 -3.993 416 HB VAL 56 HB VAL 56 -7.009 -3.508 -5.490 417 HG11 VAL 56 HG11 VAL 56 -8.485 -5.424 -5.838 418 HG12 VAL 56 HG12 VAL 56 -7.981 -4.772 -7.395 419 HG13 VAL 56 HG13 VAL 56 -9.596 -4.425 -6.771 420 HG21 VAL 56 HG21 VAL 56 -9.064 -1.980 -7.056 421 HG22 VAL 56 HG22 VAL 56 -7.464 -2.439 -7.642 422 HG23 VAL 56 HG23 VAL 56 -7.621 -1.305 -6.287 423 HA PRO 57 HA PRO 57 -6.867 -1.359 -1.186 424 HB2 PRO 57 HB2 PRO 57 -4.485 -2.729 -0.996 425 HB3 PRO 57 HB1 PRO 57 -5.957 -3.219 -0.154 426 HG2 PRO 57 HG2 PRO 57 -4.811 -4.244 -2.709 427 HG3 PRO 57 HG1 PRO 57 -5.556 -5.142 -1.375 428 HD2 PRO 57 HD2 PRO 57 -6.875 -4.602 -3.638 429 HD3 PRO 57 HD1 PRO 57 -7.710 -4.618 -2.065 430 H THR 58 HN THR 58 -5.423 0.290 -1.234 431 HA THR 58 HA THR 58 -3.590 0.406 -3.489 432 HB THR 58 HB THR 58 -5.256 2.720 -2.485 433 HG1 THR 58 HG1 THR 58 -5.984 0.721 -3.921 434 HG21 THR 58 HG21 THR 58 -4.508 3.865 -4.496 435 HG22 THR 58 HG22 THR 58 -3.556 2.469 -4.972 436 HG23 THR 58 HG23 THR 58 -3.116 3.398 -3.517 437 H VAL 59 HN VAL 59 -1.592 1.358 -2.889 438 HA VAL 59 HA VAL 59 -1.320 1.888 -0.019 439 HB VAL 59 HB VAL 59 1.073 1.368 -0.280 440 HG11 VAL 59 HG11 VAL 59 0.836 -1.017 -0.778 441 HG12 VAL 59 HG12 VAL 59 -0.816 -0.681 -1.351 442 HG13 VAL 59 HG13 VAL 59 -0.370 -0.378 0.347 443 HG21 VAL 59 HG21 VAL 59 1.908 0.354 -2.329 444 HG22 VAL 59 HG22 VAL 59 1.364 2.015 -2.604 445 HG23 VAL 59 HG23 VAL 59 0.352 0.654 -3.106 446 H LYS 60 HN LYS 60 -0.721 3.825 0.661 447 HA LYS 60 HA LYS 60 0.237 5.750 -1.350 448 HB2 LYS 60 HB2 LYS 60 -1.819 6.302 0.156 449 HB3 LYS 60 HB1 LYS 60 -0.644 6.434 1.452 450 HG2 LYS 60 HG2 LYS 60 0.571 8.166 0.160 451 HG3 LYS 60 HG1 LYS 60 -0.683 8.090 -1.072 452 HD2 LYS 60 HD2 LYS 60 -1.220 9.946 0.284 453 HD3 LYS 60 HD1 LYS 60 -2.330 8.667 0.774 454 HE2 LYS 60 HE2 LYS 60 -0.804 8.137 2.666 455 HE3 LYS 60 HE1 LYS 60 0.206 9.494 2.150 456 HZ1 LYS 60 HZ1 LYS 60 -2.612 9.687 3.107 457 HZ2 LYS 60 HZ2 LYS 60 -1.687 10.976 2.550 458 HZ3 LYS 60 HZ3 LYS 60 -1.237 10.185 3.939 459 H PHE 61 HN PHE 61 2.322 5.982 -1.343 460 HA PHE 61 HA PHE 61 3.941 4.920 0.803 461 HB2 PHE 61 HB2 PHE 61 4.656 6.285 -1.790 462 HB3 PHE 61 HB1 PHE 61 5.830 5.654 -0.638 463 HD1 PHE 61 HD1 PHE 61 3.153 4.787 -2.975 464 HD2 PHE 61 HD2 PHE 61 6.345 3.351 -0.570 465 HE1 PHE 61 HE1 PHE 61 3.013 2.652 -4.096 466 HE2 PHE 61 HE2 PHE 61 6.227 1.177 -1.703 467 HZ PHE 61 HZ PHE 61 4.565 0.820 -3.487 468 H ALA 62 HN ALA 62 5.611 6.147 1.810 469 HA ALA 62 HA ALA 62 4.921 8.766 2.650 470 HB1 ALA 62 HB1 ALA 62 7.119 8.770 3.751 471 HB2 ALA 62 HB2 ALA 62 7.566 7.322 2.847 472 HB3 ALA 62 HB3 ALA 62 6.265 7.251 4.033 473 H ASP 63 HN ASP 63 6.273 7.595 -0.120 474 HA ASP 63 HA ASP 63 7.895 9.839 -0.934 475 HB2 ASP 63 HB2 ASP 63 8.200 7.472 -1.794 476 HB3 ASP 63 HB1 ASP 63 6.683 7.635 -2.647 477 H GLY 64 HN GLY 64 4.582 9.150 -0.722 478 HA2 GLY 64 HA2 GLY 64 3.087 10.938 -0.679 479 HA3 GLY 64 HA1 GLY 64 3.995 11.728 -1.963 480 H SER 65 HN SER 65 3.885 8.972 -3.426 481 HA SER 65 HA SER 65 1.192 9.512 -4.455 482 HB2 SER 65 HB2 SER 65 3.358 7.966 -5.845 483 HB3 SER 65 HB1 SER 65 1.917 8.681 -6.559 484 HG SER 65 HG SER 65 2.746 10.678 -6.324 485 H THR 66 HN THR 66 0.239 7.465 -5.594 486 HA THR 66 HA THR 66 0.302 5.285 -3.657 487 HB THR 66 HB THR 66 -1.996 4.883 -4.731 488 HG1 THR 66 HG1 THR 66 -2.272 6.222 -6.336 489 HG21 THR 66 HG21 THR 66 -1.720 5.658 -2.448 490 HG22 THR 66 HG22 THR 66 -3.058 6.505 -3.233 491 HG23 THR 66 HG23 THR 66 -1.502 7.315 -3.021 492 H LEU 67 HN LEU 67 -0.018 3.186 -4.483 493 HA LEU 67 HA LEU 67 0.049 2.811 -7.377 494 HB2 LEU 67 HB2 LEU 67 1.670 1.159 -5.387 495 HB3 LEU 67 HB1 LEU 67 1.406 0.702 -7.049 496 HG LEU 67 HG LEU 67 3.043 3.055 -6.067 497 HD11 LEU 67 HD11 LEU 67 4.954 1.834 -6.888 498 HD12 LEU 67 HD12 LEU 67 3.920 0.575 -7.538 499 HD13 LEU 67 HD13 LEU 67 4.075 0.755 -5.800 500 HD21 LEU 67 HD21 LEU 67 1.962 3.618 -8.171 501 HD22 LEU 67 HD22 LEU 67 2.516 2.101 -8.880 502 HD23 LEU 67 HD23 LEU 67 3.685 3.335 -8.410 503 H THR 68 HN THR 68 -1.624 1.627 -8.005 504 HA THR 68 HA THR 68 -3.560 0.659 -6.186 505 HB THR 68 HB THR 68 -3.269 -0.123 -9.095 506 HG1 THR 68 HG1 THR 68 -4.569 2.300 -8.327 507 HG21 THR 68 HG21 THR 68 -5.730 0.033 -9.057 508 HG22 THR 68 HG22 THR 68 -5.672 0.530 -7.366 509 HG23 THR 68 HG23 THR 68 -5.156 -1.090 -7.824 510 H ASN 69 HN ASN 69 -4.002 -1.539 -5.598 511 HA ASN 69 HA ASN 69 -2.526 -3.076 -4.369 512 HB2 ASN 69 HB2 ASN 69 -4.697 -3.893 -4.924 513 HB3 ASN 69 HB1 ASN 69 -4.173 -4.389 -6.541 514 HD21 ASN 69 HD21 ASN 69 -4.776 -6.576 -6.154 515 HD22 ASN 69 HD22 ASN 69 -3.877 -7.574 -5.072 516 HA PRO 70 HA PRO 70 1.080 -4.110 -6.851 517 HB2 PRO 70 HB2 PRO 70 2.819 -2.841 -5.253 518 HB3 PRO 70 HB1 PRO 70 1.908 -2.000 -6.508 519 HG2 PRO 70 HG2 PRO 70 1.633 -1.815 -3.601 520 HG3 PRO 70 HG1 PRO 70 0.967 -0.753 -4.857 521 HD2 PRO 70 HD2 PRO 70 -0.315 -2.920 -3.377 522 HD3 PRO 70 HD1 PRO 70 -1.034 -1.690 -4.435 523 H SER 71 HN SER 71 2.248 -5.891 -6.527 524 HA SER 71 HA SER 71 1.910 -7.318 -4.099 525 HB2 SER 71 HB2 SER 71 2.081 -8.441 -6.327 526 HB3 SER 71 HB1 SER 71 3.772 -7.963 -6.413 527 HG SER 71 HG SER 71 2.519 -9.905 -4.863 528 H ALA 72 HN ALA 72 4.057 -8.376 -3.208 529 HA ALA 72 HA ALA 72 5.110 -6.363 -1.584 530 HB1 ALA 72 HB1 ALA 72 4.824 -8.639 -0.866 531 HB2 ALA 72 HB2 ALA 72 6.471 -8.070 -0.590 532 HB3 ALA 72 HB3 ALA 72 6.123 -9.161 -1.937 533 H ASP 73 HN ASP 73 6.698 -7.951 -4.380 534 HA ASP 73 HA ASP 73 9.080 -6.453 -3.702 535 HB2 ASP 73 HB2 ASP 73 9.030 -8.789 -4.869 536 HB3 ASP 73 HB1 ASP 73 8.739 -7.863 -6.337 537 H GLU 74 HN GLU 74 6.287 -5.964 -5.482 538 HA GLU 74 HA GLU 74 7.226 -4.015 -7.342 539 HB2 GLU 74 HB2 GLU 74 4.434 -4.338 -6.230 540 HB3 GLU 74 HB1 GLU 74 4.875 -3.432 -7.667 541 HG2 GLU 74 HG2 GLU 74 4.977 -6.398 -7.250 542 HG3 GLU 74 HG1 GLU 74 3.935 -5.499 -8.353 543 H VAL 75 HN VAL 75 5.692 -3.879 -4.160 544 HA VAL 75 HA VAL 75 5.870 -1.063 -4.018 545 HB VAL 75 HB VAL 75 5.624 -1.358 -1.500 546 HG11 VAL 75 HG11 VAL 75 3.556 -2.619 -3.285 547 HG12 VAL 75 HG12 VAL 75 3.719 -0.887 -2.995 548 HG13 VAL 75 HG13 VAL 75 3.243 -1.969 -1.680 549 HG21 VAL 75 HG21 VAL 75 4.808 -3.493 -0.709 550 HG22 VAL 75 HG22 VAL 75 6.445 -3.667 -1.377 551 HG23 VAL 75 HG23 VAL 75 5.025 -4.160 -2.317 552 H LYS 76 HN LYS 76 7.977 -3.650 -2.922 553 HA LYS 76 HA LYS 76 9.881 -2.185 -1.517 554 HB2 LYS 76 HB2 LYS 76 10.096 -4.626 -3.234 555 HB3 LYS 76 HB1 LYS 76 11.513 -3.941 -2.433 556 HG2 LYS 76 HG2 LYS 76 10.569 -4.388 -0.282 557 HG3 LYS 76 HG1 LYS 76 9.006 -4.781 -0.994 558 HD2 LYS 76 HD2 LYS 76 10.255 -6.790 -0.306 559 HD3 LYS 76 HD1 LYS 76 9.942 -6.786 -2.033 560 HE2 LYS 76 HE2 LYS 76 12.274 -5.839 -2.308 561 HE3 LYS 76 HE1 LYS 76 12.523 -6.194 -0.599 562 HZ1 LYS 76 HZ1 LYS 76 11.873 -8.131 -2.744 563 HZ2 LYS 76 HZ2 LYS 76 12.028 -8.539 -1.097 564 HZ3 LYS 76 HZ3 LYS 76 13.348 -7.955 -1.953 565 H ALA 77 HN ALA 77 9.555 -2.585 -4.979 566 HA ALA 77 HA ALA 77 11.953 -1.355 -5.726 567 HB1 ALA 77 HB1 ALA 77 9.357 -1.410 -7.262 568 HB2 ALA 77 HB2 ALA 77 10.566 -2.689 -7.255 569 HB3 ALA 77 HB3 ALA 77 10.960 -1.105 -7.930 570 H LYS 78 HN LYS 78 8.800 0.054 -4.977 571 HA LYS 78 HA LYS 78 9.793 2.689 -5.692 572 HB2 LYS 78 HB2 LYS 78 7.321 1.833 -5.992 573 HB3 LYS 78 HB1 LYS 78 7.190 2.236 -4.280 574 HG2 LYS 78 HG2 LYS 78 7.711 4.530 -4.686 575 HG3 LYS 78 HG1 LYS 78 8.099 4.151 -6.372 576 HD2 LYS 78 HD2 LYS 78 5.801 3.631 -6.823 577 HD3 LYS 78 HD1 LYS 78 5.367 3.946 -5.131 578 HE2 LYS 78 HE2 LYS 78 6.081 6.215 -5.348 579 HE3 LYS 78 HE1 LYS 78 6.653 5.927 -6.985 580 HZ1 LYS 78 HZ1 LYS 78 4.539 7.059 -6.942 581 HZ2 LYS 78 HZ2 LYS 78 3.776 5.756 -6.170 582 HZ3 LYS 78 HZ3 LYS 78 4.414 5.600 -7.720 583 H LEU 79 HN LEU 79 9.143 0.804 -2.893 584 HA LEU 79 HA LEU 79 9.252 2.753 -0.868 585 HB2 LEU 79 HB2 LEU 79 8.188 0.584 -0.615 586 HB3 LEU 79 HB1 LEU 79 9.723 -0.216 -0.826 587 HG LEU 79 HG LEU 79 10.500 0.756 1.291 588 HD11 LEU 79 HD11 LEU 79 8.946 1.812 2.794 589 HD12 LEU 79 HD12 LEU 79 7.650 1.679 1.604 590 HD13 LEU 79 HD13 LEU 79 9.025 2.734 1.294 591 HD21 LEU 79 HD21 LEU 79 9.121 -0.656 2.743 592 HD22 LEU 79 HD22 LEU 79 9.567 -1.477 1.247 593 HD23 LEU 79 HD23 LEU 79 7.941 -0.824 1.443 594 H VAL 80 HN VAL 80 11.738 0.779 -2.368 595 HA VAL 80 HA VAL 80 13.771 1.106 -0.506 596 HB VAL 80 HB VAL 80 13.871 -0.538 -2.322 597 HG11 VAL 80 HG11 VAL 80 14.543 0.088 -4.593 598 HG12 VAL 80 HG12 VAL 80 14.311 1.790 -4.170 599 HG13 VAL 80 HG13 VAL 80 12.944 0.671 -4.134 600 HG21 VAL 80 HG21 VAL 80 16.232 -0.250 -2.983 601 HG22 VAL 80 HG22 VAL 80 15.929 -0.042 -1.262 602 HG23 VAL 80 HG23 VAL 80 16.194 1.375 -2.289 603 H LYS 81 HN LYS 81 12.631 3.297 -2.928 604 HA LYS 81 HA LYS 81 14.892 5.051 -3.029 605 HB2 LYS 81 HB2 LYS 81 12.011 5.741 -3.588 606 HB3 LYS 81 HB1 LYS 81 13.432 6.577 -4.198 607 HG2 LYS 81 HG2 LYS 81 13.991 4.532 -5.494 608 HG3 LYS 81 HG1 LYS 81 12.486 3.815 -4.928 609 HD2 LYS 81 HD2 LYS 81 12.764 6.286 -6.670 610 HD3 LYS 81 HD1 LYS 81 12.233 4.705 -7.193 611 HE2 LYS 81 HE2 LYS 81 10.234 5.916 -6.998 612 HE3 LYS 81 HE1 LYS 81 10.305 4.998 -5.500 613 HZ1 LYS 81 HZ1 LYS 81 11.108 7.830 -5.820 614 HZ2 LYS 81 HZ2 LYS 81 11.098 7.031 -4.359 615 HZ3 LYS 81 HZ3 LYS 81 9.650 7.363 -5.153 616 H ILE 82 HN ILE 82 12.233 4.636 -0.901 617 HA ILE 82 HA ILE 82 12.274 7.317 0.173 618 HB ILE 82 HB ILE 82 10.817 4.891 1.211 619 HG12 ILE 82 HG12 ILE 82 9.829 6.934 -0.783 620 HG13 ILE 82 HG11 ILE 82 10.344 5.309 -1.207 621 HG21 ILE 82 HG21 ILE 82 10.244 7.854 1.480 622 HG22 ILE 82 HG22 ILE 82 10.927 6.819 2.731 623 HG23 ILE 82 HG23 ILE 82 9.278 6.541 2.162 624 HD11 ILE 82 HD11 ILE 82 8.520 4.413 0.221 625 HD12 ILE 82 HD12 ILE 82 7.963 5.360 -1.141 626 HD13 ILE 82 HD13 ILE 82 7.964 6.069 0.484 627 H ALA 83 HN ALA 83 12.904 4.030 1.324 628 HA ALA 83 HA ALA 83 13.796 4.846 3.888 629 HB1 ALA 83 HB1 ALA 83 14.246 2.226 2.475 630 HB2 ALA 83 HB2 ALA 83 12.865 2.639 3.504 631 HB3 ALA 83 HB3 ALA 83 14.479 2.530 4.198 632 H GLY 84 HN GLY 84 15.516 3.996 0.902 633 HA2 GLY 84 HA2 GLY 84 17.644 4.645 0.288 634 HA3 GLY 84 HA1 GLY 84 17.822 5.425 1.857 635 H LEU 85 HN LEU 85 17.515 2.212 0.471 636 HA LEU 85 HA LEU 85 19.459 1.310 2.483 637 HB2 LEU 85 HB2 LEU 85 17.234 -0.368 1.290 638 HB3 LEU 85 HB1 LEU 85 18.415 -0.884 2.462 639 HG LEU 85 HG LEU 85 16.377 1.262 2.999 640 HD11 LEU 85 HD11 LEU 85 16.341 -1.660 3.744 641 HD12 LEU 85 HD12 LEU 85 15.293 -0.875 2.562 642 HD13 LEU 85 HD13 LEU 85 15.175 -0.441 4.269 643 HD21 LEU 85 HD21 LEU 85 16.979 0.839 5.344 644 HD22 LEU 85 HD22 LEU 85 18.357 1.409 4.403 645 HD23 LEU 85 HD23 LEU 85 18.217 -0.301 4.814 646 H GLU 86 HN GLU 86 18.068 -0.064 -0.458 647 HA GLU 86 HA GLU 86 20.676 -0.960 -1.330 648 HB2 GLU 86 HB2 GLU 86 17.908 -1.300 -2.499 649 HB3 GLU 86 HB1 GLU 86 19.367 -2.036 -3.140 650 HG2 GLU 86 HG2 GLU 86 18.344 -2.531 -0.359 651 HG3 GLU 86 HG1 GLU 86 17.919 -3.529 -1.747 652 H HIS 87 HN HIS 87 21.839 0.066 -2.776 653 HA HIS 87 HA HIS 87 22.536 1.248 -4.535 654 HB2 HIS 87 HB2 HIS 87 19.616 1.604 -5.246 655 HB3 HIS 87 HB1 HIS 87 20.950 2.158 -6.244 656 HD1 HIS 87 HD1 HIS 87 18.693 -0.599 -5.969 657 HD2 HIS 87 HD2 HIS 87 22.719 -0.174 -6.918 658 HE1 HIS 87 HE1 HIS 87 19.352 -2.704 -7.168 659 H HIS 88 HN HIS 88 19.850 2.897 -2.970 660 HA HIS 88 HA HIS 88 21.484 5.276 -2.794 661 HB2 HIS 88 HB2 HIS 88 19.433 6.643 -3.614 662 HB3 HIS 88 HB1 HIS 88 20.458 5.868 -4.811 663 HD1 HIS 88 HD1 HIS 88 17.380 4.796 -2.882 664 HD2 HIS 88 HD2 HIS 88 18.963 4.696 -6.692 665 HE1 HIS 88 HE1 HIS 88 15.647 3.604 -4.333 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 14.023 12.246 6.408 2 H2 MET 1 HT2 MET 1 15.109 12.668 7.631 3 H3 MET 1 HT3 MET 1 13.535 13.300 7.616 4 HA MET 1 HA MET 1 14.168 10.457 7.919 5 HB2 MET 1 HB2 MET 1 13.237 12.529 9.915 6 HB3 MET 1 HB1 MET 1 13.158 10.800 10.205 7 HG2 MET 1 HG2 MET 1 15.672 12.374 9.686 8 HG3 MET 1 HG1 MET 1 15.096 11.839 11.264 9 HE1 MET 1 HE1 MET 1 13.966 8.913 10.673 10 HE2 MET 1 HE2 MET 1 14.983 9.337 12.047 11 HE3 MET 1 HE3 MET 1 15.403 7.957 11.033 12 H VAL 2 HN VAL 2 12.382 9.129 7.954 13 HA VAL 2 HA VAL 2 9.830 10.434 7.424 14 HB VAL 2 HB VAL 2 10.902 9.566 5.326 15 HG11 VAL 2 HG11 VAL 2 10.567 6.857 6.560 16 HG12 VAL 2 HG12 VAL 2 12.081 7.657 6.133 17 HG13 VAL 2 HG13 VAL 2 10.951 7.167 4.867 18 HG21 VAL 2 HG21 VAL 2 8.517 9.829 5.399 19 HG22 VAL 2 HG22 VAL 2 8.335 8.222 6.110 20 HG23 VAL 2 HG23 VAL 2 8.941 8.397 4.462 21 H THR 3 HN THR 3 7.989 9.313 8.303 22 HA THR 3 HA THR 3 8.828 7.309 10.276 23 HB THR 3 HB THR 3 8.211 9.510 11.264 24 HG1 THR 3 HG1 THR 3 6.606 7.259 11.902 25 HG21 THR 3 HG21 THR 3 5.444 8.877 10.222 26 HG22 THR 3 HG22 THR 3 6.468 10.229 9.728 27 HG23 THR 3 HG23 THR 3 5.826 10.164 11.369 28 H ALA 4 HN ALA 4 7.202 7.564 7.473 29 HA ALA 4 HA ALA 4 5.538 5.275 8.157 30 HB1 ALA 4 HB1 ALA 4 4.752 7.558 6.334 31 HB2 ALA 4 HB2 ALA 4 4.068 7.233 7.927 32 HB3 ALA 4 HB3 ALA 4 3.815 6.090 6.607 33 H ALA 5 HN ALA 5 5.407 3.754 6.511 34 HA ALA 5 HA ALA 5 7.469 4.022 4.452 35 HB1 ALA 5 HB1 ALA 5 7.262 1.565 4.248 36 HB2 ALA 5 HB2 ALA 5 5.975 1.577 5.447 37 HB3 ALA 5 HB3 ALA 5 7.611 2.040 5.908 38 H LEU 6 HN LEU 6 4.266 2.495 4.739 39 HA LEU 6 HA LEU 6 3.136 4.046 2.734 40 HB2 LEU 6 HB2 LEU 6 2.652 2.310 1.039 41 HB3 LEU 6 HB1 LEU 6 4.361 2.646 1.148 42 HG LEU 6 HG LEU 6 4.194 0.393 0.717 43 HD11 LEU 6 HD11 LEU 6 4.938 -0.892 2.593 44 HD12 LEU 6 HD12 LEU 6 4.556 0.467 3.651 45 HD13 LEU 6 HD13 LEU 6 5.779 0.644 2.396 46 HD21 LEU 6 HD21 LEU 6 2.713 -1.186 1.895 47 HD22 LEU 6 HD22 LEU 6 1.937 0.046 0.901 48 HD23 LEU 6 HD23 LEU 6 1.936 0.226 2.660 49 H THR 7 HN THR 7 0.940 3.766 2.523 50 HA THR 7 HA THR 7 -0.188 2.271 4.775 51 HB THR 7 HB THR 7 -1.155 4.917 3.661 52 HG1 THR 7 HG1 THR 7 0.536 4.190 5.813 53 HG21 THR 7 HG21 THR 7 -2.516 4.981 5.727 54 HG22 THR 7 HG22 THR 7 -1.906 3.389 6.178 55 HG23 THR 7 HG23 THR 7 -2.922 3.572 4.748 56 H ILE 8 HN ILE 8 -1.810 0.995 4.370 57 HA ILE 8 HA ILE 8 -2.674 0.566 1.630 58 HB ILE 8 HB ILE 8 -2.891 -1.053 4.160 59 HG12 ILE 8 HG12 ILE 8 -1.454 -1.603 1.565 60 HG13 ILE 8 HG11 ILE 8 -0.695 -1.069 3.064 61 HG21 ILE 8 HG21 ILE 8 -4.900 -1.421 3.078 62 HG22 ILE 8 HG22 ILE 8 -3.893 -2.857 2.806 63 HG23 ILE 8 HG23 ILE 8 -4.137 -1.676 1.506 64 HD11 ILE 8 HD11 ILE 8 -0.391 -3.444 2.711 65 HD12 ILE 8 HD12 ILE 8 -2.138 -3.675 2.624 66 HD13 ILE 8 HD13 ILE 8 -1.391 -3.156 4.135 67 H TYR 9 HN TYR 9 -4.544 1.192 0.912 68 HA TYR 9 HA TYR 9 -6.756 1.748 2.776 69 HB2 TYR 9 HB2 TYR 9 -6.346 2.648 -0.079 70 HB3 TYR 9 HB1 TYR 9 -7.762 2.988 0.896 71 HD1 TYR 9 HD1 TYR 9 -7.187 4.156 3.208 72 HD2 TYR 9 HD2 TYR 9 -4.771 4.269 -0.270 73 HE1 TYR 9 HE1 TYR 9 -6.190 6.225 4.003 74 HE2 TYR 9 HE2 TYR 9 -3.750 6.336 0.492 75 HH TYR 9 HH TYR 9 -4.114 7.511 3.676 76 H THR 10 HN THR 10 -8.198 0.183 2.893 77 HA THR 10 HA THR 10 -9.315 -0.919 0.555 78 HB THR 10 HB THR 10 -7.245 -2.323 0.744 79 HG1 THR 10 HG1 THR 10 -8.525 -3.717 -0.127 80 HG21 THR 10 HG21 THR 10 -7.019 -3.917 2.608 81 HG22 THR 10 HG22 THR 10 -8.419 -3.182 3.391 82 HG23 THR 10 HG23 THR 10 -6.943 -2.244 3.163 83 H THR 11 HN THR 11 -10.646 -3.041 1.623 84 HA THR 11 HA THR 11 -12.072 -1.950 3.936 85 HB THR 11 HB THR 11 -14.090 -3.098 2.959 86 HG1 THR 11 HG1 THR 11 -13.850 -3.374 0.584 87 HG21 THR 11 HG21 THR 11 -12.866 -0.947 1.235 88 HG22 THR 11 HG22 THR 11 -13.816 -0.682 2.702 89 HG23 THR 11 HG23 THR 11 -14.574 -1.391 1.277 90 H SER 12 HN SER 12 -13.164 -3.748 5.169 91 HA SER 12 HA SER 12 -11.381 -5.961 5.428 92 HB2 SER 12 HB2 SER 12 -13.949 -5.290 6.846 93 HB3 SER 12 HB1 SER 12 -12.876 -6.623 7.294 94 HG SER 12 HG SER 12 -12.191 -3.865 7.202 95 H TRP 13 HN TRP 13 -13.981 -5.444 3.383 96 HA TRP 13 HA TRP 13 -14.593 -8.298 3.279 97 HB2 TRP 13 HB2 TRP 13 -16.512 -7.588 1.771 98 HB3 TRP 13 HB1 TRP 13 -16.624 -7.094 3.451 99 HD1 TRP 13 HD1 TRP 13 -16.649 -4.551 3.973 100 HE1 TRP 13 HE1 TRP 13 -16.916 -2.460 2.585 101 HE3 TRP 13 HE3 TRP 13 -15.813 -6.596 -0.639 102 HZ2 TRP 13 HZ2 TRP 13 -16.769 -1.721 -0.175 103 HZ3 TRP 13 HZ3 TRP 13 -15.887 -5.115 -2.607 104 HH2 TRP 13 HH2 TRP 13 -16.355 -2.729 -2.375 105 H CYS 14 HN CYS 14 -12.435 -6.367 2.002 106 HA CYS 14 HA CYS 14 -12.662 -7.123 -0.768 107 HB2 CYS 14 HB2 CYS 14 -11.744 -4.922 -0.092 108 HB3 CYS 14 HB1 CYS 14 -10.440 -5.736 0.753 109 HG CYS 14 HG CYS 14 -10.740 -4.919 -2.436 110 H GLY 15 HN GLY 15 -12.016 -9.089 -1.445 111 HA2 GLY 15 HA2 GLY 15 -10.757 -10.949 0.246 112 HA3 GLY 15 HA1 GLY 15 -11.017 -11.151 -1.476 113 H TYR 16 HN TYR 16 -9.458 -8.630 -1.970 114 HA TYR 16 HA TYR 16 -6.885 -9.899 -1.958 115 HB2 TYR 16 HB2 TYR 16 -7.703 -7.206 -3.036 116 HB3 TYR 16 HB1 TYR 16 -6.058 -7.818 -3.077 117 HD1 TYR 16 HD1 TYR 16 -6.694 -10.704 -3.819 118 HD2 TYR 16 HD2 TYR 16 -8.168 -7.005 -5.309 119 HE1 TYR 16 HE1 TYR 16 -7.167 -11.764 -5.984 120 HE2 TYR 16 HE2 TYR 16 -8.661 -8.067 -7.470 121 HH TYR 16 HH TYR 16 -8.598 -11.452 -7.894 122 H CYS 17 HN CYS 17 -8.499 -7.993 0.289 123 HA CYS 17 HA CYS 17 -6.439 -6.330 1.231 124 HB2 CYS 17 HB2 CYS 17 -8.677 -5.940 2.011 125 HB3 CYS 17 HB1 CYS 17 -8.800 -7.571 2.659 126 HG CYS 17 HG CYS 17 -8.453 -5.232 4.514 127 H LEU 18 HN LEU 18 -7.585 -9.398 2.614 128 HA LEU 18 HA LEU 18 -5.308 -9.661 4.222 129 HB2 LEU 18 HB2 LEU 18 -6.098 -11.929 4.814 130 HB3 LEU 18 HB1 LEU 18 -7.300 -10.695 5.031 131 HG LEU 18 HG LEU 18 -8.349 -12.672 4.333 132 HD11 LEU 18 HD11 LEU 18 -9.369 -10.728 3.413 133 HD12 LEU 18 HD12 LEU 18 -9.555 -12.105 2.335 134 HD13 LEU 18 HD13 LEU 18 -8.370 -10.858 1.961 135 HD21 LEU 18 HD21 LEU 18 -6.548 -13.899 3.330 136 HD22 LEU 18 HD22 LEU 18 -6.511 -12.794 1.955 137 HD23 LEU 18 HD23 LEU 18 -7.908 -13.844 2.204 138 H ARG 19 HN ARG 19 -5.988 -10.628 1.045 139 HA ARG 19 HA ARG 19 -4.013 -12.593 0.667 140 HB2 ARG 19 HB2 ARG 19 -5.894 -12.018 -0.907 141 HB3 ARG 19 HB1 ARG 19 -4.998 -10.575 -1.350 142 HG2 ARG 19 HG2 ARG 19 -4.715 -12.296 -3.015 143 HG3 ARG 19 HG1 ARG 19 -3.180 -11.972 -2.208 144 HD2 ARG 19 HD2 ARG 19 -3.433 -13.917 -0.831 145 HD3 ARG 19 HD1 ARG 19 -5.046 -14.229 -1.472 146 HE ARG 19 HE ARG 19 -3.621 -14.363 -3.680 147 HH11 ARG 19 HH11 ARG 19 -2.858 -15.680 -0.482 148 HH12 ARG 19 HH12 ARG 19 -1.975 -17.002 -1.081 149 HH21 ARG 19 HH21 ARG 19 -2.413 -16.168 -4.503 150 HH22 ARG 19 HH22 ARG 19 -1.719 -17.301 -3.436 151 H LEU 20 HN LEU 20 -3.983 -9.077 0.269 152 HA LEU 20 HA LEU 20 -1.277 -8.926 -0.496 153 HB2 LEU 20 HB2 LEU 20 -2.847 -7.225 -1.160 154 HB3 LEU 20 HB1 LEU 20 -3.226 -6.871 0.509 155 HG LEU 20 HG LEU 20 -1.006 -6.012 0.852 156 HD11 LEU 20 HD11 LEU 20 0.283 -7.254 -0.802 157 HD12 LEU 20 HD12 LEU 20 0.465 -5.530 -1.107 158 HD13 LEU 20 HD13 LEU 20 -0.617 -6.490 -2.111 159 HD21 LEU 20 HD21 LEU 20 -2.432 -4.761 -1.473 160 HD22 LEU 20 HD22 LEU 20 -1.242 -3.972 -0.433 161 HD23 LEU 20 HD23 LEU 20 -2.786 -4.507 0.241 162 H LYS 21 HN LYS 21 -2.999 -8.605 2.577 163 HA LYS 21 HA LYS 21 -0.914 -7.682 4.214 164 HB2 LYS 21 HB2 LYS 21 -3.026 -9.706 4.972 165 HB3 LYS 21 HB1 LYS 21 -2.071 -8.766 6.104 166 HG2 LYS 21 HG2 LYS 21 -4.118 -7.703 4.170 167 HG3 LYS 21 HG1 LYS 21 -4.361 -7.947 5.895 168 HD2 LYS 21 HD2 LYS 21 -2.564 -6.287 6.315 169 HD3 LYS 21 HD1 LYS 21 -2.466 -6.010 4.574 170 HE2 LYS 21 HE2 LYS 21 -3.869 -4.313 5.594 171 HE3 LYS 21 HE1 LYS 21 -4.842 -5.357 4.556 172 HZ1 LYS 21 HZ1 LYS 21 -4.660 -5.441 7.512 173 HZ2 LYS 21 HZ2 LYS 21 -5.559 -6.554 6.591 174 HZ3 LYS 21 HZ3 LYS 21 -5.984 -4.937 6.609 175 H THR 22 HN THR 22 -1.804 -10.966 3.264 176 HA THR 22 HA THR 22 0.104 -12.444 4.637 177 HB THR 22 HB THR 22 -1.023 -12.953 1.862 178 HG1 THR 22 HG1 THR 22 -2.348 -12.778 4.089 179 HG21 THR 22 HG21 THR 22 0.102 -14.902 3.883 180 HG22 THR 22 HG22 THR 22 0.910 -14.390 2.402 181 HG23 THR 22 HG23 THR 22 -0.585 -15.320 2.313 182 H ALA 23 HN ALA 23 0.234 -11.095 1.358 183 HA ALA 23 HA ALA 23 2.752 -12.012 0.619 184 HB1 ALA 23 HB1 ALA 23 1.097 -11.130 -0.963 185 HB2 ALA 23 HB2 ALA 23 2.669 -10.358 -1.162 186 HB3 ALA 23 HB3 ALA 23 1.364 -9.509 -0.329 187 H LEU 24 HN LEU 24 1.854 -8.908 2.087 188 HA LEU 24 HA LEU 24 4.542 -7.911 2.063 189 HB2 LEU 24 HB2 LEU 24 2.253 -7.051 3.791 190 HB3 LEU 24 HB1 LEU 24 3.738 -6.163 3.565 191 HG LEU 24 HG LEU 24 1.530 -6.583 1.552 192 HD11 LEU 24 HD11 LEU 24 1.416 -4.104 1.662 193 HD12 LEU 24 HD12 LEU 24 2.674 -4.150 2.886 194 HD13 LEU 24 HD13 LEU 24 1.112 -4.874 3.228 195 HD21 LEU 24 HD21 LEU 24 4.226 -5.277 1.147 196 HD22 LEU 24 HD22 LEU 24 2.845 -5.061 0.098 197 HD23 LEU 24 HD23 LEU 24 3.562 -6.650 0.236 198 H THR 25 HN THR 25 2.666 -9.638 4.444 199 HA THR 25 HA THR 25 4.595 -9.256 6.485 200 HB THR 25 HB THR 25 2.415 -11.353 6.258 201 HG1 THR 25 HG1 THR 25 1.486 -9.355 6.272 202 HG21 THR 25 HG21 THR 25 2.612 -11.523 8.707 203 HG22 THR 25 HG22 THR 25 3.921 -10.343 8.684 204 HG23 THR 25 HG23 THR 25 4.151 -11.923 7.941 205 H ALA 26 HN ALA 26 4.023 -11.815 4.093 206 HA ALA 26 HA ALA 26 6.017 -13.585 5.050 207 HB1 ALA 26 HB1 ALA 26 5.764 -14.728 2.909 208 HB2 ALA 26 HB2 ALA 26 4.875 -13.347 2.266 209 HB3 ALA 26 HB3 ALA 26 4.189 -14.304 3.579 210 H ASN 27 HN ASN 27 6.177 -10.704 3.223 211 HA ASN 27 HA ASN 27 8.952 -11.271 2.461 212 HB2 ASN 27 HB2 ASN 27 6.951 -9.339 1.333 213 HB3 ASN 27 HB1 ASN 27 8.675 -9.127 1.057 214 HD21 ASN 27 HD21 ASN 27 5.886 -11.069 0.394 215 HD22 ASN 27 HD22 ASN 27 6.584 -11.971 -0.905 216 H ARG 28 HN ARG 28 7.682 -10.275 5.081 217 HA ARG 28 HA ARG 28 7.989 -8.757 6.676 218 HB2 ARG 28 HB2 ARG 28 10.379 -8.432 7.378 219 HB3 ARG 28 HB1 ARG 28 9.922 -10.104 7.106 220 HG2 ARG 28 HG2 ARG 28 10.971 -10.075 4.960 221 HG3 ARG 28 HG1 ARG 28 11.370 -8.372 5.158 222 HD2 ARG 28 HD2 ARG 28 12.829 -8.929 7.040 223 HD3 ARG 28 HD1 ARG 28 12.415 -10.638 6.861 224 HE ARG 28 HE ARG 28 13.269 -10.219 4.473 225 HH11 ARG 28 HH11 ARG 28 14.717 -8.921 7.440 226 HH12 ARG 28 HH12 ARG 28 16.298 -8.834 6.822 227 HH21 ARG 28 HH21 ARG 28 15.439 -10.061 3.586 228 HH22 ARG 28 HH22 ARG 28 16.723 -9.516 4.556 229 H ILE 29 HN ILE 29 6.884 -7.287 5.132 230 HA ILE 29 HA ILE 29 8.525 -4.897 4.657 231 HB ILE 29 HB ILE 29 5.831 -5.636 3.462 232 HG12 ILE 29 HG12 ILE 29 8.552 -5.623 2.146 233 HG13 ILE 29 HG11 ILE 29 7.746 -7.072 2.731 234 HG21 ILE 29 HG21 ILE 29 6.198 -3.207 3.640 235 HG22 ILE 29 HG22 ILE 29 6.231 -3.726 1.951 236 HG23 ILE 29 HG23 ILE 29 7.737 -3.377 2.800 237 HD11 ILE 29 HD11 ILE 29 5.937 -6.687 1.145 238 HD12 ILE 29 HD12 ILE 29 7.503 -6.825 0.351 239 HD13 ILE 29 HD13 ILE 29 6.759 -5.235 0.566 240 H ALA 30 HN ALA 30 7.984 -3.074 5.715 241 HA ALA 30 HA ALA 30 6.042 -3.277 7.842 242 HB1 ALA 30 HB1 ALA 30 7.908 -1.076 7.007 243 HB2 ALA 30 HB2 ALA 30 8.218 -2.265 8.277 244 HB3 ALA 30 HB3 ALA 30 6.927 -1.071 8.472 245 H TYR 31 HN TYR 31 4.051 -2.322 7.779 246 HA TYR 31 HA TYR 31 3.484 -0.335 5.767 247 HB2 TYR 31 HB2 TYR 31 1.555 -1.571 4.881 248 HB3 TYR 31 HB1 TYR 31 3.075 -2.389 4.509 249 HD1 TYR 31 HD1 TYR 31 3.607 -4.492 5.807 250 HD2 TYR 31 HD2 TYR 31 -0.171 -2.576 6.055 251 HE1 TYR 31 HE1 TYR 31 2.609 -6.580 6.683 252 HE2 TYR 31 HE2 TYR 31 -1.175 -4.626 6.935 253 HH TYR 31 HH TYR 31 0.642 -7.215 8.055 254 H ASP 32 HN ASP 32 1.455 0.664 6.132 255 HA ASP 32 HA ASP 32 0.272 0.143 8.769 256 HB2 ASP 32 HB2 ASP 32 1.530 2.293 8.720 257 HB3 ASP 32 HB1 ASP 32 0.560 2.816 7.349 258 H GLU 33 HN GLU 33 -2.023 0.184 8.810 259 HA GLU 33 HA GLU 33 -3.301 0.321 6.167 260 HB2 GLU 33 HB2 GLU 33 -4.702 -1.607 6.873 261 HB3 GLU 33 HB1 GLU 33 -3.007 -2.013 6.662 262 HG2 GLU 33 HG2 GLU 33 -2.671 -1.990 9.058 263 HG3 GLU 33 HG1 GLU 33 -4.332 -1.459 9.298 264 H VAL 34 HN VAL 34 -5.190 1.361 6.119 265 HA VAL 34 HA VAL 34 -6.642 1.787 8.581 266 HB VAL 34 HB VAL 34 -5.273 3.846 8.209 267 HG11 VAL 34 HG11 VAL 34 -6.750 4.131 5.624 268 HG12 VAL 34 HG12 VAL 34 -5.019 3.810 5.829 269 HG13 VAL 34 HG13 VAL 34 -5.705 5.347 6.352 270 HG21 VAL 34 HG21 VAL 34 -7.323 4.192 9.356 271 HG22 VAL 34 HG22 VAL 34 -8.216 4.145 7.843 272 HG23 VAL 34 HG23 VAL 34 -7.151 5.522 8.188 273 H ASP 35 HN ASP 35 -8.927 1.811 8.178 274 HA ASP 35 HA ASP 35 -9.441 0.742 5.516 275 HB2 ASP 35 HB2 ASP 35 -11.469 -0.239 6.309 276 HB3 ASP 35 HB1 ASP 35 -10.222 -0.604 7.491 277 H ILE 36 HN ILE 36 -10.983 1.451 4.234 278 HA ILE 36 HA ILE 36 -11.338 4.306 4.363 279 HB ILE 36 HB ILE 36 -12.146 4.124 2.079 280 HG12 ILE 36 HG12 ILE 36 -11.759 1.137 2.412 281 HG13 ILE 36 HG11 ILE 36 -13.327 1.930 2.415 282 HG21 ILE 36 HG21 ILE 36 -9.694 2.470 2.673 283 HG22 ILE 36 HG22 ILE 36 -9.754 4.228 2.548 284 HG23 ILE 36 HG23 ILE 36 -10.062 3.231 1.127 285 HD11 ILE 36 HD11 ILE 36 -11.369 1.854 0.136 286 HD12 ILE 36 HD12 ILE 36 -12.939 2.680 0.138 287 HD13 ILE 36 HD13 ILE 36 -12.864 0.922 0.291 288 H GLU 37 HN GLU 37 -13.137 1.897 5.663 289 HA GLU 37 HA GLU 37 -15.631 2.994 4.765 290 HB2 GLU 37 HB2 GLU 37 -15.153 0.767 6.763 291 HB3 GLU 37 HB1 GLU 37 -16.706 1.197 6.046 292 HG2 GLU 37 HG2 GLU 37 -15.655 0.753 3.808 293 HG3 GLU 37 HG1 GLU 37 -14.300 0.057 4.686 294 H HIS 38 HN HIS 38 -13.652 2.722 7.625 295 HA HIS 38 HA HIS 38 -15.234 4.478 9.208 296 HB2 HIS 38 HB2 HIS 38 -13.748 2.861 10.271 297 HB3 HIS 38 HB1 HIS 38 -12.361 3.532 9.437 298 HD1 HIS 38 HD1 HIS 38 -14.595 4.138 12.415 299 HD2 HIS 38 HD2 HIS 38 -11.255 5.796 10.589 300 HE1 HIS 38 HE1 HIS 38 -13.644 5.785 14.061 301 H ASN 39 HN ASN 39 -12.558 4.826 6.976 302 HA ASN 39 HA ASN 39 -12.435 7.722 7.507 303 HB2 ASN 39 HB2 ASN 39 -10.348 6.347 7.679 304 HB3 ASN 39 HB1 ASN 39 -10.480 6.003 5.967 305 HD21 ASN 39 HD21 ASN 39 -8.362 7.212 7.392 306 HD22 ASN 39 HD22 ASN 39 -8.075 8.766 6.732 307 H ARG 40 HN ARG 40 -13.989 8.649 6.239 308 HA ARG 40 HA ARG 40 -14.711 7.688 3.672 309 HB2 ARG 40 HB2 ARG 40 -16.340 8.852 5.010 310 HB3 ARG 40 HB1 ARG 40 -15.350 10.301 5.053 311 HG2 ARG 40 HG2 ARG 40 -15.654 10.574 2.642 312 HG3 ARG 40 HG1 ARG 40 -16.640 9.115 2.602 313 HD2 ARG 40 HD2 ARG 40 -18.288 10.147 4.022 314 HD3 ARG 40 HD1 ARG 40 -17.280 11.584 4.205 315 HE ARG 40 HE ARG 40 -17.603 11.277 1.516 316 HH11 ARG 40 HH11 ARG 40 -19.825 11.778 4.227 317 HH12 ARG 40 HH12 ARG 40 -20.995 12.570 3.254 318 HH21 ARG 40 HH21 ARG 40 -19.193 12.359 0.254 319 HH22 ARG 40 HH22 ARG 40 -20.633 12.903 0.993 320 H ALA 41 HN ALA 41 -12.476 10.128 4.762 321 HA ALA 41 HA ALA 41 -12.055 11.455 2.295 322 HB1 ALA 41 HB1 ALA 41 -10.111 11.038 4.573 323 HB2 ALA 41 HB2 ALA 41 -11.271 12.355 4.461 324 HB3 ALA 41 HB3 ALA 41 -9.952 12.238 3.293 325 H ALA 42 HN ALA 42 -10.590 8.692 3.829 326 HA ALA 42 HA ALA 42 -8.691 8.151 1.834 327 HB1 ALA 42 HB1 ALA 42 -8.481 5.985 2.833 328 HB2 ALA 42 HB2 ALA 42 -9.994 6.211 3.719 329 HB3 ALA 42 HB3 ALA 42 -8.585 7.212 4.096 330 H ALA 43 HN ALA 43 -12.009 7.026 2.344 331 HA ALA 43 HA ALA 43 -12.191 5.197 0.221 332 HB1 ALA 43 HB1 ALA 43 -14.376 6.979 1.291 333 HB2 ALA 43 HB2 ALA 43 -13.905 5.427 1.982 334 HB3 ALA 43 HB3 ALA 43 -14.602 5.498 0.364 335 H GLU 44 HN GLU 44 -12.602 8.654 0.300 336 HA GLU 44 HA GLU 44 -13.443 8.994 -2.387 337 HB2 GLU 44 HB2 GLU 44 -13.730 10.640 -0.517 338 HB3 GLU 44 HB1 GLU 44 -12.001 10.933 -0.567 339 HG2 GLU 44 HG2 GLU 44 -13.148 12.684 -1.708 340 HG3 GLU 44 HG1 GLU 44 -12.235 11.733 -2.879 341 H PHE 45 HN PHE 45 -10.344 9.185 -0.709 342 HA PHE 45 HA PHE 45 -8.747 9.930 -2.879 343 HB2 PHE 45 HB2 PHE 45 -8.013 10.186 -0.569 344 HB3 PHE 45 HB1 PHE 45 -8.015 8.441 -0.355 345 HD1 PHE 45 HD1 PHE 45 -6.391 11.221 -2.146 346 HD2 PHE 45 HD2 PHE 45 -6.161 7.135 -0.980 347 HE1 PHE 45 HE1 PHE 45 -4.053 11.135 -2.895 348 HE2 PHE 45 HE2 PHE 45 -3.835 7.056 -1.725 349 HZ PHE 45 HZ PHE 45 -2.776 9.049 -2.680 350 H VAL 46 HN VAL 46 -9.155 6.686 -1.449 351 HA VAL 46 HA VAL 46 -7.604 5.393 -3.479 352 HB VAL 46 HB VAL 46 -7.809 4.363 -1.276 353 HG11 VAL 46 HG11 VAL 46 -10.686 4.041 -2.014 354 HG12 VAL 46 HG12 VAL 46 -9.983 4.876 -0.582 355 HG13 VAL 46 HG13 VAL 46 -9.832 3.112 -0.788 356 HG21 VAL 46 HG21 VAL 46 -9.162 2.636 -3.248 357 HG22 VAL 46 HG22 VAL 46 -8.104 2.144 -1.892 358 HG23 VAL 46 HG23 VAL 46 -7.454 3.076 -3.275 359 H GLY 47 HN GLY 47 -10.927 6.284 -3.337 360 HA2 GLY 47 HA2 GLY 47 -11.774 4.630 -5.505 361 HA3 GLY 47 HA1 GLY 47 -12.594 6.079 -4.932 362 H SER 48 HN SER 48 -9.933 7.525 -5.314 363 HA SER 48 HA SER 48 -10.461 8.373 -8.008 364 HB2 SER 48 HB2 SER 48 -10.047 10.013 -6.181 365 HB3 SER 48 HB1 SER 48 -8.426 9.363 -5.990 366 HG SER 48 HG SER 48 -7.893 10.770 -7.425 367 H VAL 49 HN VAL 49 -8.231 6.300 -6.365 368 HA VAL 49 HA VAL 49 -6.392 6.295 -8.678 369 HB VAL 49 HB VAL 49 -4.665 5.433 -7.060 370 HG11 VAL 49 HG11 VAL 49 -4.719 7.788 -7.646 371 HG12 VAL 49 HG12 VAL 49 -4.355 7.595 -5.916 372 HG13 VAL 49 HG13 VAL 49 -5.972 8.059 -6.431 373 HG21 VAL 49 HG21 VAL 49 -6.256 4.561 -5.382 374 HG22 VAL 49 HG22 VAL 49 -6.706 6.230 -5.012 375 HG23 VAL 49 HG23 VAL 49 -5.068 5.673 -4.687 376 H ASN 50 HN ASN 50 -8.861 4.605 -7.877 377 HA ASN 50 HA ASN 50 -7.608 1.990 -7.670 378 HB2 ASN 50 HB2 ASN 50 -10.044 3.052 -6.702 379 HB3 ASN 50 HB1 ASN 50 -10.471 1.820 -7.878 380 HD21 ASN 50 HD21 ASN 50 -7.625 1.813 -5.794 381 HD22 ASN 50 HD22 ASN 50 -8.117 0.444 -4.897 382 H GLY 51 HN GLY 51 -8.591 0.206 -8.978 383 HA2 GLY 51 HA2 GLY 51 -8.540 0.918 -11.761 384 HA3 GLY 51 HA1 GLY 51 -8.706 -0.706 -11.091 385 H GLY 52 HN GLY 52 -10.387 2.276 -11.695 386 HA2 GLY 52 HA2 GLY 52 -12.556 2.247 -12.756 387 HA3 GLY 52 HA1 GLY 52 -12.887 0.745 -11.892 388 H ASN 53 HN ASN 53 -13.135 0.839 -9.598 389 HA ASN 53 HA ASN 53 -13.683 3.436 -8.424 390 HB2 ASN 53 HB2 ASN 53 -15.787 2.444 -9.594 391 HB3 ASN 53 HB1 ASN 53 -15.752 1.213 -8.338 392 HD21 ASN 53 HD21 ASN 53 -17.748 3.191 -8.977 393 HD22 ASN 53 HD22 ASN 53 -17.988 4.123 -7.549 394 H ARG 54 HN ARG 54 -14.322 2.799 -5.945 395 HA ARG 54 HA ARG 54 -12.016 1.380 -5.092 396 HB2 ARG 54 HB2 ARG 54 -12.634 1.709 -2.769 397 HB3 ARG 54 HB1 ARG 54 -12.937 3.189 -3.644 398 HG2 ARG 54 HG2 ARG 54 -15.148 1.237 -3.051 399 HG3 ARG 54 HG1 ARG 54 -14.629 2.425 -1.862 400 HD2 ARG 54 HD2 ARG 54 -15.628 3.035 -4.643 401 HD3 ARG 54 HD1 ARG 54 -16.578 3.164 -3.162 402 HE ARG 54 HE ARG 54 -14.268 4.661 -2.822 403 HH11 ARG 54 HH11 ARG 54 -17.171 4.795 -4.846 404 HH12 ARG 54 HH12 ARG 54 -17.206 6.495 -4.931 405 HH21 ARG 54 HH21 ARG 54 -14.316 6.980 -2.927 406 HH22 ARG 54 HH22 ARG 54 -15.543 7.778 -3.780 407 H THR 55 HN THR 55 -11.636 -0.563 -4.893 408 HA THR 55 HA THR 55 -13.418 -2.465 -3.764 409 HB THR 55 HB THR 55 -14.405 -2.390 -6.012 410 HG1 THR 55 HG1 THR 55 -12.937 -4.800 -5.608 411 HG21 THR 55 HG21 THR 55 -13.110 -3.171 -7.998 412 HG22 THR 55 HG22 THR 55 -11.660 -3.210 -6.996 413 HG23 THR 55 HG23 THR 55 -12.461 -1.678 -7.315 414 H VAL 56 HN VAL 56 -10.350 -1.596 -5.218 415 HA VAL 56 HA VAL 56 -9.223 -4.018 -4.059 416 HB VAL 56 HB VAL 56 -7.304 -3.713 -5.596 417 HG11 VAL 56 HG11 VAL 56 -9.041 -5.387 -6.063 418 HG12 VAL 56 HG12 VAL 56 -8.439 -4.707 -7.575 419 HG13 VAL 56 HG13 VAL 56 -9.986 -4.182 -6.927 420 HG21 VAL 56 HG21 VAL 56 -7.624 -2.420 -7.682 421 HG22 VAL 56 HG22 VAL 56 -7.577 -1.404 -6.240 422 HG23 VAL 56 HG23 VAL 56 -9.120 -1.767 -7.012 423 HA PRO 57 HA PRO 57 -6.843 -1.643 -1.246 424 HB2 PRO 57 HB2 PRO 57 -4.519 -3.122 -1.219 425 HB3 PRO 57 HB1 PRO 57 -5.974 -3.574 -0.331 426 HG2 PRO 57 HG2 PRO 57 -5.003 -4.550 -2.986 427 HG3 PRO 57 HG1 PRO 57 -5.719 -5.472 -1.647 428 HD2 PRO 57 HD2 PRO 57 -7.113 -4.797 -3.823 429 HD3 PRO 57 HD1 PRO 57 -7.865 -4.823 -2.213 430 H THR 58 HN THR 58 -5.574 0.082 -1.411 431 HA THR 58 HA THR 58 -3.732 0.153 -3.650 432 HB THR 58 HB THR 58 -5.391 2.491 -2.638 433 HG1 THR 58 HG1 THR 58 -6.053 0.476 -4.031 434 HG21 THR 58 HG21 THR 58 -4.616 3.601 -4.690 435 HG22 THR 58 HG22 THR 58 -3.589 2.228 -5.066 436 HG23 THR 58 HG23 THR 58 -3.253 3.225 -3.635 437 H VAL 59 HN VAL 59 -1.705 1.251 -3.112 438 HA VAL 59 HA VAL 59 -1.398 1.771 -0.250 439 HB VAL 59 HB VAL 59 1.024 1.309 -0.567 440 HG11 VAL 59 HG11 VAL 59 0.813 -1.125 -0.881 441 HG12 VAL 59 HG12 VAL 59 -0.873 -0.864 -1.380 442 HG13 VAL 59 HG13 VAL 59 -0.345 -0.445 0.262 443 HG21 VAL 59 HG21 VAL 59 1.211 1.807 -2.933 444 HG22 VAL 59 HG22 VAL 59 0.179 0.430 -3.318 445 HG23 VAL 59 HG23 VAL 59 1.771 0.167 -2.600 446 H LYS 60 HN LYS 60 -0.896 3.691 0.374 447 HA LYS 60 HA LYS 60 0.090 5.647 -1.595 448 HB2 LYS 60 HB2 LYS 60 -1.967 6.233 -0.220 449 HB3 LYS 60 HB1 LYS 60 -0.943 6.166 1.205 450 HG2 LYS 60 HG2 LYS 60 0.455 7.972 0.279 451 HG3 LYS 60 HG1 LYS 60 -0.606 8.063 -1.122 452 HD2 LYS 60 HD2 LYS 60 -1.221 9.819 0.390 453 HD3 LYS 60 HD1 LYS 60 -2.494 8.598 0.437 454 HE2 LYS 60 HE2 LYS 60 -1.515 7.681 2.501 455 HE3 LYS 60 HE1 LYS 60 -0.265 8.922 2.445 456 HZ1 LYS 60 HZ1 LYS 60 -2.002 9.531 3.961 457 HZ2 LYS 60 HZ2 LYS 60 -3.184 9.363 2.799 458 HZ3 LYS 60 HZ3 LYS 60 -2.012 10.600 2.666 459 H PHE 61 HN PHE 61 2.191 5.971 -1.505 460 HA PHE 61 HA PHE 61 3.678 4.816 0.696 461 HB2 PHE 61 HB2 PHE 61 4.643 6.163 -1.819 462 HB3 PHE 61 HB1 PHE 61 5.664 5.380 -0.622 463 HD1 PHE 61 HD1 PHE 61 3.201 4.880 -3.251 464 HD2 PHE 61 HD2 PHE 61 5.823 2.970 -0.500 465 HE1 PHE 61 HE1 PHE 61 2.914 2.797 -4.440 466 HE2 PHE 61 HE2 PHE 61 5.554 0.855 -1.702 467 HZ PHE 61 HZ PHE 61 4.101 0.756 -3.689 468 H ALA 62 HN ALA 62 5.583 6.069 1.463 469 HA ALA 62 HA ALA 62 4.704 8.257 2.923 470 HB1 ALA 62 HB1 ALA 62 7.524 7.437 2.332 471 HB2 ALA 62 HB2 ALA 62 6.494 6.764 3.596 472 HB3 ALA 62 HB3 ALA 62 6.980 8.460 3.659 473 H ASP 63 HN ASP 63 5.693 8.216 -0.304 474 HA ASP 63 HA ASP 63 6.661 10.954 -0.311 475 HB2 ASP 63 HB2 ASP 63 7.050 10.657 -2.671 476 HB3 ASP 63 HB1 ASP 63 7.625 9.209 -1.849 477 H GLY 64 HN GLY 64 3.691 9.374 -0.351 478 HA2 GLY 64 HA2 GLY 64 1.688 10.619 -0.176 479 HA3 GLY 64 HA1 GLY 64 2.397 11.855 -1.197 480 H SER 65 HN SER 65 3.273 9.379 -2.948 481 HA SER 65 HA SER 65 0.837 9.531 -4.530 482 HB2 SER 65 HB2 SER 65 3.493 8.353 -5.300 483 HB3 SER 65 HB1 SER 65 2.167 8.830 -6.372 484 HG SER 65 HG SER 65 3.974 10.301 -4.918 485 H THR 66 HN THR 66 0.258 7.493 -5.788 486 HA THR 66 HA THR 66 0.225 5.244 -3.919 487 HB THR 66 HB THR 66 -1.976 4.795 -5.132 488 HG1 THR 66 HG1 THR 66 -2.551 7.379 -5.495 489 HG21 THR 66 HG21 THR 66 -1.850 5.451 -2.805 490 HG22 THR 66 HG22 THR 66 -3.194 6.273 -3.601 491 HG23 THR 66 HG23 THR 66 -1.690 7.148 -3.270 492 H LEU 67 HN LEU 67 0.104 3.215 -4.793 493 HA LEU 67 HA LEU 67 0.251 2.920 -7.685 494 HB2 LEU 67 HB2 LEU 67 1.754 1.266 -5.620 495 HB3 LEU 67 HB1 LEU 67 1.518 0.742 -7.268 496 HG LEU 67 HG LEU 67 3.173 3.123 -6.372 497 HD11 LEU 67 HD11 LEU 67 4.006 0.532 -7.674 498 HD12 LEU 67 HD12 LEU 67 4.211 0.889 -5.969 499 HD13 LEU 67 HD13 LEU 67 5.072 1.841 -7.177 500 HD21 LEU 67 HD21 LEU 67 2.619 2.064 -9.145 501 HD22 LEU 67 HD22 LEU 67 3.855 3.243 -8.729 502 HD23 LEU 67 HD23 LEU 67 2.159 3.652 -8.509 503 H THR 68 HN THR 68 -1.462 1.925 -8.400 504 HA THR 68 HA THR 68 -3.488 0.911 -6.782 505 HB THR 68 HB THR 68 -2.959 0.228 -9.695 506 HG1 THR 68 HG1 THR 68 -4.412 2.526 -8.772 507 HG21 THR 68 HG21 THR 68 -4.848 -0.953 -8.621 508 HG22 THR 68 HG22 THR 68 -5.428 0.198 -9.829 509 HG23 THR 68 HG23 THR 68 -5.522 0.594 -8.112 510 H ASN 69 HN ASN 69 -4.042 -1.190 -6.259 511 HA ASN 69 HA ASN 69 -2.825 -2.820 -4.901 512 HB2 ASN 69 HB2 ASN 69 -4.979 -3.351 -5.707 513 HB3 ASN 69 HB1 ASN 69 -4.343 -3.963 -7.236 514 HD21 ASN 69 HD21 ASN 69 -5.372 -6.002 -6.805 515 HD22 ASN 69 HD22 ASN 69 -4.670 -7.106 -5.686 516 HA PRO 70 HA PRO 70 0.938 -4.133 -7.040 517 HB2 PRO 70 HB2 PRO 70 2.547 -3.239 -5.064 518 HB3 PRO 70 HB1 PRO 70 2.001 -2.222 -6.395 519 HG2 PRO 70 HG2 PRO 70 1.339 -2.036 -3.601 520 HG3 PRO 70 HG1 PRO 70 0.876 -0.951 -4.920 521 HD2 PRO 70 HD2 PRO 70 -0.658 -3.094 -3.628 522 HD3 PRO 70 HD1 PRO 70 -1.214 -1.722 -4.616 523 H SER 71 HN SER 71 2.263 -5.811 -6.647 524 HA SER 71 HA SER 71 1.600 -7.502 -4.419 525 HB2 SER 71 HB2 SER 71 2.042 -8.409 -6.726 526 HB3 SER 71 HB1 SER 71 3.718 -7.884 -6.566 527 HG SER 71 HG SER 71 2.599 -10.125 -5.753 528 H ALA 72 HN ALA 72 3.734 -8.511 -3.401 529 HA ALA 72 HA ALA 72 4.767 -6.462 -1.756 530 HB1 ALA 72 HB1 ALA 72 5.688 -9.318 -2.047 531 HB2 ALA 72 HB2 ALA 72 4.436 -8.716 -0.947 532 HB3 ALA 72 HB3 ALA 72 6.109 -8.223 -0.730 533 H ASP 73 HN ASP 73 6.047 -8.070 -4.574 534 HA ASP 73 HA ASP 73 8.698 -7.073 -4.352 535 HB2 ASP 73 HB2 ASP 73 7.952 -9.007 -5.798 536 HB3 ASP 73 HB1 ASP 73 7.245 -7.829 -6.897 537 H GLU 74 HN GLU 74 5.760 -5.877 -5.786 538 HA GLU 74 HA GLU 74 6.867 -3.747 -7.299 539 HB2 GLU 74 HB2 GLU 74 4.083 -4.059 -6.181 540 HB3 GLU 74 HB1 GLU 74 4.554 -2.874 -7.387 541 HG2 GLU 74 HG2 GLU 74 4.594 -5.867 -7.713 542 HG3 GLU 74 HG1 GLU 74 3.401 -4.757 -8.383 543 H VAL 75 HN VAL 75 5.334 -3.872 -4.112 544 HA VAL 75 HA VAL 75 5.705 -1.128 -3.620 545 HB VAL 75 HB VAL 75 5.354 -1.724 -1.133 546 HG11 VAL 75 HG11 VAL 75 2.974 -2.195 -1.467 547 HG12 VAL 75 HG12 VAL 75 3.305 -2.646 -3.135 548 HG13 VAL 75 HG13 VAL 75 3.539 -0.975 -2.611 549 HG21 VAL 75 HG21 VAL 75 4.496 -3.921 -0.661 550 HG22 VAL 75 HG22 VAL 75 6.124 -4.074 -1.362 551 HG23 VAL 75 HG23 VAL 75 4.681 -4.359 -2.353 552 H LYS 76 HN LYS 76 7.763 -3.915 -2.843 553 HA LYS 76 HA LYS 76 9.659 -2.439 -1.345 554 HB2 LYS 76 HB2 LYS 76 9.906 -5.020 -2.867 555 HB3 LYS 76 HB1 LYS 76 11.257 -4.314 -1.998 556 HG2 LYS 76 HG2 LYS 76 9.942 -4.426 0.076 557 HG3 LYS 76 HG1 LYS 76 8.628 -5.184 -0.824 558 HD2 LYS 76 HD2 LYS 76 9.903 -6.888 0.333 559 HD3 LYS 76 HD1 LYS 76 10.150 -7.047 -1.404 560 HE2 LYS 76 HE2 LYS 76 12.241 -7.343 -0.180 561 HE3 LYS 76 HE1 LYS 76 12.321 -5.918 -1.204 562 HZ1 LYS 76 HZ1 LYS 76 13.258 -5.573 1.015 563 HZ2 LYS 76 HZ2 LYS 76 11.771 -5.862 1.733 564 HZ3 LYS 76 HZ3 LYS 76 11.976 -4.524 0.737 565 H ALA 77 HN ALA 77 9.300 -2.981 -4.765 566 HA ALA 77 HA ALA 77 11.778 -2.015 -5.597 567 HB1 ALA 77 HB1 ALA 77 10.747 -1.751 -7.777 568 HB2 ALA 77 HB2 ALA 77 9.147 -1.866 -7.047 569 HB3 ALA 77 HB3 ALA 77 10.223 -3.262 -7.030 570 H LYS 78 HN LYS 78 8.760 -0.303 -4.885 571 HA LYS 78 HA LYS 78 10.013 2.183 -5.682 572 HB2 LYS 78 HB2 LYS 78 7.461 1.652 -5.862 573 HB3 LYS 78 HB1 LYS 78 7.418 2.117 -4.159 574 HG2 LYS 78 HG2 LYS 78 8.721 4.227 -4.989 575 HG3 LYS 78 HG1 LYS 78 8.095 3.738 -6.550 576 HD2 LYS 78 HD2 LYS 78 5.815 3.907 -5.746 577 HD3 LYS 78 HD1 LYS 78 6.402 4.358 -4.138 578 HE2 LYS 78 HE2 LYS 78 7.595 6.280 -5.189 579 HE3 LYS 78 HE1 LYS 78 6.809 5.881 -6.707 580 HZ1 LYS 78 HZ1 LYS 78 5.654 7.608 -5.657 581 HZ2 LYS 78 HZ2 LYS 78 5.558 6.852 -4.202 582 HZ3 LYS 78 HZ3 LYS 78 4.644 6.258 -5.536 583 H LEU 79 HN LEU 79 9.085 0.575 -2.697 584 HA LEU 79 HA LEU 79 9.437 2.659 -0.883 585 HB2 LEU 79 HB2 LEU 79 8.270 0.538 -0.419 586 HB3 LEU 79 HB1 LEU 79 9.805 -0.295 -0.419 587 HG LEU 79 HG LEU 79 10.479 1.045 1.573 588 HD11 LEU 79 HD11 LEU 79 9.009 2.973 1.209 589 HD12 LEU 79 HD12 LEU 79 8.780 2.271 2.805 590 HD13 LEU 79 HD13 LEU 79 7.605 1.955 1.528 591 HD21 LEU 79 HD21 LEU 79 9.062 -0.175 3.149 592 HD22 LEU 79 HD22 LEU 79 9.552 -1.203 1.801 593 HD23 LEU 79 HD23 LEU 79 7.924 -0.532 1.851 594 H VAL 80 HN VAL 80 11.779 0.354 -2.148 595 HA VAL 80 HA VAL 80 13.895 0.832 -0.377 596 HB VAL 80 HB VAL 80 13.797 -1.042 -2.022 597 HG11 VAL 80 HG11 VAL 80 14.545 -0.724 -4.331 598 HG12 VAL 80 HG12 VAL 80 14.474 1.025 -4.092 599 HG13 VAL 80 HG13 VAL 80 13.006 0.058 -3.972 600 HG21 VAL 80 HG21 VAL 80 16.301 0.628 -2.150 601 HG22 VAL 80 HG22 VAL 80 16.182 -1.059 -2.648 602 HG23 VAL 80 HG23 VAL 80 15.900 -0.628 -0.963 603 H LYS 81 HN LYS 81 12.729 2.651 -3.080 604 HA LYS 81 HA LYS 81 15.069 4.282 -3.378 605 HB2 LYS 81 HB2 LYS 81 12.319 4.629 -4.552 606 HB3 LYS 81 HB1 LYS 81 13.800 5.435 -5.064 607 HG2 LYS 81 HG2 LYS 81 14.746 3.277 -5.729 608 HG3 LYS 81 HG1 LYS 81 13.261 2.474 -5.221 609 HD2 LYS 81 HD2 LYS 81 13.225 2.751 -7.600 610 HD3 LYS 81 HD1 LYS 81 12.024 3.829 -6.890 611 HE2 LYS 81 HE2 LYS 81 13.256 4.923 -8.665 612 HE3 LYS 81 HE1 LYS 81 13.578 5.696 -7.115 613 HZ1 LYS 81 HZ1 LYS 81 15.364 3.740 -8.468 614 HZ2 LYS 81 HZ2 LYS 81 15.725 4.552 -7.026 615 HZ3 LYS 81 HZ3 LYS 81 15.554 5.407 -8.470 616 H ILE 82 HN ILE 82 11.990 4.456 -1.747 617 HA ILE 82 HA ILE 82 12.015 7.268 -1.223 618 HB ILE 82 HB ILE 82 10.628 5.091 0.364 619 HG12 ILE 82 HG12 ILE 82 9.576 6.689 -1.987 620 HG13 ILE 82 HG11 ILE 82 10.023 4.979 -2.001 621 HG21 ILE 82 HG21 ILE 82 10.709 7.228 1.545 622 HG22 ILE 82 HG22 ILE 82 9.061 6.882 1.022 623 HG23 ILE 82 HG23 ILE 82 10.036 8.050 0.135 624 HD11 ILE 82 HD11 ILE 82 7.796 6.209 -0.409 625 HD12 ILE 82 HD12 ILE 82 8.233 4.501 -0.429 626 HD13 ILE 82 HD13 ILE 82 7.622 5.273 -1.894 627 H ALA 83 HN ALA 83 12.903 4.386 0.586 628 HA ALA 83 HA ALA 83 13.889 5.741 2.874 629 HB1 ALA 83 HB1 ALA 83 13.244 3.372 2.922 630 HB2 ALA 83 HB2 ALA 83 14.908 3.586 3.456 631 HB3 ALA 83 HB3 ALA 83 14.575 2.986 1.832 632 H GLY 84 HN GLY 84 15.184 4.921 -0.217 633 HA2 GLY 84 HA2 GLY 84 16.997 5.806 -1.318 634 HA3 GLY 84 HA1 GLY 84 17.349 6.758 0.119 635 H LEU 85 HN LEU 85 16.988 3.307 0.030 636 HA LEU 85 HA LEU 85 19.715 3.087 1.071 637 HB2 LEU 85 HB2 LEU 85 17.547 0.983 0.977 638 HB3 LEU 85 HB1 LEU 85 19.078 0.861 1.810 639 HG LEU 85 HG LEU 85 16.842 2.756 2.519 640 HD11 LEU 85 HD11 LEU 85 16.499 1.300 4.438 641 HD12 LEU 85 HD12 LEU 85 17.756 0.215 3.842 642 HD13 LEU 85 HD13 LEU 85 16.270 0.431 2.918 643 HD21 LEU 85 HD21 LEU 85 19.033 3.645 3.138 644 HD22 LEU 85 HD22 LEU 85 19.432 2.131 3.948 645 HD23 LEU 85 HD23 LEU 85 18.133 3.148 4.571 646 H GLU 86 HN GLU 86 18.657 3.343 -1.820 647 HA GLU 86 HA GLU 86 19.678 0.883 -2.999 648 HB2 GLU 86 HB2 GLU 86 18.927 1.783 -5.128 649 HB3 GLU 86 HB1 GLU 86 17.642 1.925 -3.943 650 HG2 GLU 86 HG2 GLU 86 18.068 4.267 -3.688 651 HG3 GLU 86 HG1 GLU 86 19.489 4.164 -4.726 652 H HIS 87 HN HIS 87 21.079 3.387 -1.709 653 HA HIS 87 HA HIS 87 23.165 3.732 -3.749 654 HB2 HIS 87 HB2 HIS 87 21.953 5.788 -2.935 655 HB3 HIS 87 HB1 HIS 87 22.535 5.436 -1.317 656 HD1 HIS 87 HD1 HIS 87 24.965 6.186 -0.766 657 HD2 HIS 87 HD2 HIS 87 23.885 6.710 -4.749 658 HE1 HIS 87 HE1 HIS 87 26.780 7.586 -1.814 659 H HIS 88 HN HIS 88 25.339 3.369 -3.029 660 HA HIS 88 HA HIS 88 25.483 2.180 -0.397 661 HB2 HIS 88 HB2 HIS 88 27.155 0.524 -1.174 662 HB3 HIS 88 HB1 HIS 88 25.614 0.322 -1.977 663 HD1 HIS 88 HD1 HIS 88 25.605 1.162 -4.601 664 HD2 HIS 88 HD2 HIS 88 29.303 0.742 -2.763 665 HE1 HIS 88 HE1 HIS 88 27.305 1.049 -6.457 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 13.632 8.061 9.321 2 H2 MET 1 HT2 MET 1 14.974 7.810 8.355 3 H3 MET 1 HT3 MET 1 13.516 7.016 8.032 4 HA MET 1 HA MET 1 13.924 9.939 7.956 5 HB2 MET 1 HB2 MET 1 13.503 8.019 5.648 6 HB3 MET 1 HB1 MET 1 13.549 9.767 5.517 7 HG2 MET 1 HG2 MET 1 15.817 7.963 6.333 8 HG3 MET 1 HG1 MET 1 15.642 8.824 4.810 9 HE1 MET 1 HE1 MET 1 16.069 12.547 5.872 10 HE2 MET 1 HE2 MET 1 14.547 11.673 5.728 11 HE3 MET 1 HE3 MET 1 15.825 11.423 4.536 12 H VAL 2 HN VAL 2 11.684 7.422 6.698 13 HA VAL 2 HA VAL 2 9.538 9.311 7.247 14 HB VAL 2 HB VAL 2 8.149 7.973 5.714 15 HG11 VAL 2 HG11 VAL 2 9.502 9.772 4.779 16 HG12 VAL 2 HG12 VAL 2 9.323 8.453 3.622 17 HG13 VAL 2 HG13 VAL 2 10.830 8.646 4.518 18 HG21 VAL 2 HG21 VAL 2 10.603 6.245 5.328 19 HG22 VAL 2 HG22 VAL 2 9.116 6.134 4.388 20 HG23 VAL 2 HG23 VAL 2 9.100 5.750 6.111 21 H THR 3 HN THR 3 7.838 8.782 8.564 22 HA THR 3 HA THR 3 8.374 6.589 10.366 23 HB THR 3 HB THR 3 7.756 8.691 11.432 24 HG1 THR 3 HG1 THR 3 5.994 8.035 12.680 25 HG21 THR 3 HG21 THR 3 5.536 9.698 11.174 26 HG22 THR 3 HG22 THR 3 5.159 8.519 9.913 27 HG23 THR 3 HG23 THR 3 6.447 9.701 9.666 28 H ALA 4 HN ALA 4 6.141 7.432 7.850 29 HA ALA 4 HA ALA 4 5.014 4.748 8.033 30 HB1 ALA 4 HB1 ALA 4 3.709 7.259 6.950 31 HB2 ALA 4 HB2 ALA 4 3.284 6.447 8.457 32 HB3 ALA 4 HB3 ALA 4 3.003 5.644 6.912 33 H ALA 5 HN ALA 5 5.936 3.592 6.533 34 HA ALA 5 HA ALA 5 7.356 4.755 4.341 35 HB1 ALA 5 HB1 ALA 5 8.219 2.788 5.459 36 HB2 ALA 5 HB2 ALA 5 7.845 2.384 3.774 37 HB3 ALA 5 HB3 ALA 5 6.758 1.891 5.063 38 H LEU 6 HN LEU 6 4.563 2.602 4.628 39 HA LEU 6 HA LEU 6 3.364 3.845 2.363 40 HB2 LEU 6 HB2 LEU 6 2.873 1.741 1.182 41 HB3 LEU 6 HB1 LEU 6 4.573 2.125 1.170 42 HG LEU 6 HG LEU 6 3.364 0.064 3.041 43 HD11 LEU 6 HD11 LEU 6 4.604 -0.305 0.336 44 HD12 LEU 6 HD12 LEU 6 2.930 -0.671 0.795 45 HD13 LEU 6 HD13 LEU 6 4.259 -1.606 1.470 46 HD21 LEU 6 HD21 LEU 6 5.662 -0.763 3.161 47 HD22 LEU 6 HD22 LEU 6 5.548 0.915 3.693 48 HD23 LEU 6 HD23 LEU 6 6.185 0.542 2.093 49 H THR 7 HN THR 7 1.303 4.038 2.607 50 HA THR 7 HA THR 7 0.054 2.665 4.864 51 HB THR 7 HB THR 7 -0.809 5.167 3.416 52 HG1 THR 7 HG1 THR 7 1.132 4.706 5.222 53 HG21 THR 7 HG21 THR 7 -1.642 4.005 6.091 54 HG22 THR 7 HG22 THR 7 -2.617 3.994 4.624 55 HG23 THR 7 HG23 THR 7 -2.222 5.525 5.408 56 H ILE 8 HN ILE 8 -1.270 1.114 4.325 57 HA ILE 8 HA ILE 8 -2.159 0.813 1.590 58 HB ILE 8 HB ILE 8 -2.315 -1.007 3.985 59 HG12 ILE 8 HG12 ILE 8 -0.764 -1.233 1.409 60 HG13 ILE 8 HG11 ILE 8 -0.099 -0.737 2.964 61 HG21 ILE 8 HG21 ILE 8 -3.409 -1.432 1.233 62 HG22 ILE 8 HG22 ILE 8 -4.243 -1.442 2.807 63 HG23 ILE 8 HG23 ILE 8 -3.100 -2.732 2.394 64 HD11 ILE 8 HD11 ILE 8 -0.620 -2.907 3.896 65 HD12 ILE 8 HD12 ILE 8 0.385 -3.043 2.449 66 HD13 ILE 8 HD13 ILE 8 -1.339 -3.403 2.360 67 H TYR 9 HN TYR 9 -4.043 1.398 0.918 68 HA TYR 9 HA TYR 9 -6.216 1.850 2.809 69 HB2 TYR 9 HB2 TYR 9 -5.755 2.846 -0.002 70 HB3 TYR 9 HB1 TYR 9 -7.256 3.049 0.858 71 HD1 TYR 9 HD1 TYR 9 -6.511 3.884 3.498 72 HD2 TYR 9 HD2 TYR 9 -4.735 4.862 -0.231 73 HE1 TYR 9 HE1 TYR 9 -5.745 6.004 4.439 74 HE2 TYR 9 HE2 TYR 9 -3.955 6.974 0.682 75 HH TYR 9 HH TYR 9 -4.684 8.521 2.543 76 H THR 10 HN THR 10 -7.512 0.215 3.054 77 HA THR 10 HA THR 10 -8.666 -1.003 0.728 78 HB THR 10 HB THR 10 -6.689 -2.420 1.014 79 HG1 THR 10 HG1 THR 10 -8.964 -3.827 1.994 80 HG21 THR 10 HG21 THR 10 -6.320 -3.741 3.051 81 HG22 THR 10 HG22 THR 10 -7.698 -2.951 3.811 82 HG23 THR 10 HG23 THR 10 -6.263 -2.012 3.404 83 H THR 11 HN THR 11 -10.533 -2.330 1.301 84 HA THR 11 HA THR 11 -11.813 -1.568 3.805 85 HB THR 11 HB THR 11 -13.670 -2.909 2.603 86 HG1 THR 11 HG1 THR 11 -13.394 -2.921 0.319 87 HG21 THR 11 HG21 THR 11 -12.734 -0.277 1.454 88 HG22 THR 11 HG22 THR 11 -13.691 -0.472 2.917 89 HG23 THR 11 HG23 THR 11 -14.374 -0.925 1.353 90 H SER 12 HN SER 12 -12.606 -3.016 5.181 91 HA SER 12 HA SER 12 -11.100 -5.350 5.617 92 HB2 SER 12 HB2 SER 12 -13.738 -4.500 6.825 93 HB3 SER 12 HB1 SER 12 -12.605 -5.662 7.519 94 HG SER 12 HG SER 12 -12.000 -2.910 7.001 95 H TRP 13 HN TRP 13 -13.977 -4.676 3.825 96 HA TRP 13 HA TRP 13 -14.705 -7.458 3.682 97 HB2 TRP 13 HB2 TRP 13 -16.572 -6.706 2.206 98 HB3 TRP 13 HB1 TRP 13 -16.576 -5.997 3.810 99 HD1 TRP 13 HD1 TRP 13 -16.633 -3.401 3.945 100 HE1 TRP 13 HE1 TRP 13 -16.748 -1.514 2.213 101 HE3 TRP 13 HE3 TRP 13 -15.600 -6.097 -0.292 102 HZ2 TRP 13 HZ2 TRP 13 -16.429 -1.193 -0.568 103 HZ3 TRP 13 HZ3 TRP 13 -15.532 -4.912 -2.446 104 HH2 TRP 13 HH2 TRP 13 -15.934 -2.514 -2.576 105 H CYS 14 HN CYS 14 -12.364 -5.759 2.212 106 HA CYS 14 HA CYS 14 -12.711 -6.660 -0.485 107 HB2 CYS 14 HB2 CYS 14 -11.381 -4.647 -0.006 108 HB3 CYS 14 HB1 CYS 14 -10.271 -5.587 0.975 109 HG CYS 14 HG CYS 14 -10.368 -5.105 -2.299 110 H GLY 15 HN GLY 15 -11.677 -8.428 -1.462 111 HA2 GLY 15 HA2 GLY 15 -10.954 -10.573 0.322 112 HA3 GLY 15 HA1 GLY 15 -11.057 -10.660 -1.433 113 H TYR 16 HN TYR 16 -9.383 -8.329 -1.804 114 HA TYR 16 HA TYR 16 -6.868 -9.707 -1.842 115 HB2 TYR 16 HB2 TYR 16 -7.699 -6.998 -2.786 116 HB3 TYR 16 HB1 TYR 16 -6.031 -7.539 -2.867 117 HD1 TYR 16 HD2 TYR 16 -6.279 -10.279 -3.779 118 HD2 TYR 16 HD1 TYR 16 -8.490 -6.845 -4.927 119 HE1 TYR 16 HE2 TYR 16 -6.720 -11.300 -5.958 120 HE2 TYR 16 HE1 TYR 16 -8.944 -7.862 -7.111 121 HH TYR 16 HH TYR 16 -8.309 -11.144 -7.740 122 H CYS 17 HN CYS 17 -8.321 -7.866 0.494 123 HA CYS 17 HA CYS 17 -6.312 -6.114 1.312 124 HB2 CYS 17 HB2 CYS 17 -7.429 -6.063 3.512 125 HB3 CYS 17 HB1 CYS 17 -8.576 -5.920 2.194 126 HG CYS 17 HG CYS 17 -9.949 -8.136 2.665 127 H LEU 18 HN LEU 18 -7.038 -9.293 2.626 128 HA LEU 18 HA LEU 18 -4.655 -9.335 4.136 129 HB2 LEU 18 HB2 LEU 18 -5.350 -11.781 4.541 130 HB3 LEU 18 HB1 LEU 18 -6.331 -10.494 5.196 131 HG LEU 18 HG LEU 18 -7.893 -10.810 3.239 132 HD11 LEU 18 HD11 LEU 18 -7.841 -12.932 2.058 133 HD12 LEU 18 HD12 LEU 18 -6.279 -13.301 2.800 134 HD13 LEU 18 HD13 LEU 18 -6.444 -11.916 1.714 135 HD21 LEU 18 HD21 LEU 18 -7.506 -13.143 5.093 136 HD22 LEU 18 HD22 LEU 18 -8.972 -12.778 4.184 137 HD23 LEU 18 HD23 LEU 18 -8.410 -11.667 5.436 138 H ARG 19 HN ARG 19 -5.348 -10.172 0.929 139 HA ARG 19 HA ARG 19 -3.326 -12.144 0.547 140 HB2 ARG 19 HB2 ARG 19 -4.364 -10.240 -1.568 141 HB3 ARG 19 HB1 ARG 19 -3.629 -11.811 -1.829 142 HG2 ARG 19 HG2 ARG 19 -6.321 -11.294 -0.570 143 HG3 ARG 19 HG1 ARG 19 -6.037 -11.870 -2.208 144 HD2 ARG 19 HD2 ARG 19 -5.189 -13.345 0.279 145 HD3 ARG 19 HD1 ARG 19 -6.723 -13.602 -0.533 146 HE ARG 19 HE ARG 19 -4.726 -13.916 -2.425 147 HH11 ARG 19 HH11 ARG 19 -5.736 -15.502 0.606 148 HH12 ARG 19 HH12 ARG 19 -5.331 -17.058 0.084 149 HH21 ARG 19 HH21 ARG 19 -4.162 -16.071 -3.104 150 HH22 ARG 19 HH22 ARG 19 -4.411 -17.405 -2.067 151 H LEU 20 HN LEU 20 -3.499 -8.646 0.015 152 HA LEU 20 HA LEU 20 -0.826 -8.317 -0.807 153 HB2 LEU 20 HB2 LEU 20 -2.536 -6.651 -1.315 154 HB3 LEU 20 HB1 LEU 20 -2.782 -6.347 0.385 155 HG LEU 20 HG LEU 20 -0.558 -5.399 0.566 156 HD11 LEU 20 HD11 LEU 20 -0.383 -5.785 -2.429 157 HD12 LEU 20 HD12 LEU 20 0.631 -6.570 -1.216 158 HD13 LEU 20 HD13 LEU 20 0.745 -4.833 -1.477 159 HD21 LEU 20 HD21 LEU 20 -0.964 -3.325 -0.672 160 HD22 LEU 20 HD22 LEU 20 -2.425 -3.916 0.120 161 HD23 LEU 20 HD23 LEU 20 -2.200 -4.145 -1.619 162 H LYS 21 HN LYS 21 -2.351 -8.314 2.361 163 HA LYS 21 HA LYS 21 -0.176 -7.317 3.887 164 HB2 LYS 21 HB2 LYS 21 -2.116 -9.453 4.795 165 HB3 LYS 21 HB1 LYS 21 -1.173 -8.382 5.812 166 HG2 LYS 21 HG2 LYS 21 -3.447 -7.594 4.014 167 HG3 LYS 21 HG1 LYS 21 -3.505 -7.743 5.765 168 HD2 LYS 21 HD2 LYS 21 -1.891 -5.888 5.954 169 HD3 LYS 21 HD1 LYS 21 -1.835 -5.790 4.199 170 HE2 LYS 21 HE2 LYS 21 -3.353 -4.110 5.161 171 HE3 LYS 21 HE1 LYS 21 -4.183 -5.249 4.085 172 HZ1 LYS 21 HZ1 LYS 21 -4.221 -5.221 7.056 173 HZ2 LYS 21 HZ2 LYS 21 -4.948 -6.425 6.141 174 HZ3 LYS 21 HZ3 LYS 21 -5.492 -4.856 6.041 175 H THR 22 HN THR 22 -1.116 -10.557 2.927 176 HA THR 22 HA THR 22 0.904 -12.021 4.200 177 HB THR 22 HB THR 22 -0.451 -12.717 1.568 178 HG1 THR 22 HG1 THR 22 -1.987 -12.207 3.251 179 HG21 THR 22 HG21 THR 22 1.438 -14.188 2.190 180 HG22 THR 22 HG22 THR 22 -0.100 -15.042 2.285 181 HG23 THR 22 HG23 THR 22 0.686 -14.474 3.758 182 H ALA 23 HN ALA 23 0.722 -10.509 1.015 183 HA ALA 23 HA ALA 23 3.153 -11.450 -0.018 184 HB1 ALA 23 HB1 ALA 23 1.698 -8.902 -0.701 185 HB2 ALA 23 HB2 ALA 23 1.338 -10.488 -1.363 186 HB3 ALA 23 HB3 ALA 23 2.897 -9.734 -1.701 187 H LEU 24 HN LEU 24 2.366 -8.411 1.638 188 HA LEU 24 HA LEU 24 5.031 -7.450 1.394 189 HB2 LEU 24 HB2 LEU 24 2.902 -6.518 3.292 190 HB3 LEU 24 HB1 LEU 24 4.379 -5.670 2.947 191 HG LEU 24 HG LEU 24 1.995 -6.029 1.134 192 HD11 LEU 24 HD11 LEU 24 1.965 -3.570 1.288 193 HD12 LEU 24 HD12 LEU 24 3.329 -3.673 2.398 194 HD13 LEU 24 HD13 LEU 24 1.784 -4.376 2.860 195 HD21 LEU 24 HD21 LEU 24 4.646 -4.723 0.519 196 HD22 LEU 24 HD22 LEU 24 3.189 -4.557 -0.436 197 HD23 LEU 24 HD23 LEU 24 3.969 -6.123 -0.331 198 H THR 25 HN THR 25 3.317 -8.942 4.127 199 HA THR 25 HA THR 25 5.445 -8.608 5.906 200 HB THR 25 HB THR 25 3.207 -10.659 5.931 201 HG1 THR 25 HG1 THR 25 3.562 -8.174 7.231 202 HG21 THR 25 HG21 THR 25 5.000 -9.716 8.192 203 HG22 THR 25 HG22 THR 25 5.067 -11.311 7.443 204 HG23 THR 25 HG23 THR 25 3.638 -10.826 8.355 205 H ALA 26 HN ALA 26 4.791 -11.177 3.565 206 HA ALA 26 HA ALA 26 6.889 -12.880 4.495 207 HB1 ALA 26 HB1 ALA 26 6.522 -14.137 2.436 208 HB2 ALA 26 HB2 ALA 26 5.513 -12.834 1.810 209 HB3 ALA 26 HB3 ALA 26 4.986 -13.758 3.218 210 H ASN 27 HN ASN 27 6.906 -9.974 2.854 211 HA ASN 27 HA ASN 27 9.521 -10.541 1.664 212 HB2 ASN 27 HB2 ASN 27 7.344 -8.676 0.820 213 HB3 ASN 27 HB1 ASN 27 9.016 -8.324 0.396 214 HD21 ASN 27 HD21 ASN 27 6.353 -10.528 -0.069 215 HD22 ASN 27 HD22 ASN 27 7.021 -11.326 -1.451 216 H ARG 28 HN ARG 28 8.558 -9.629 4.434 217 HA ARG 28 HA ARG 28 9.498 -8.529 6.186 218 HB2 ARG 28 HB2 ARG 28 11.759 -8.204 4.221 219 HB3 ARG 28 HB1 ARG 28 11.862 -7.664 5.885 220 HG2 ARG 28 HG2 ARG 28 11.375 -10.501 4.995 221 HG3 ARG 28 HG1 ARG 28 12.925 -9.845 5.527 222 HD2 ARG 28 HD2 ARG 28 10.404 -10.110 7.178 223 HD3 ARG 28 HD1 ARG 28 11.890 -11.035 7.354 224 HE ARG 28 HE ARG 28 12.506 -8.317 7.580 225 HH11 ARG 28 HH11 ARG 28 10.872 -10.861 9.458 226 HH12 ARG 28 HH12 ARG 28 11.089 -10.075 10.935 227 HH21 ARG 28 HH21 ARG 28 12.807 -7.273 9.609 228 HH22 ARG 28 HH22 ARG 28 12.252 -7.980 11.052 229 H ILE 29 HN ILE 29 7.804 -7.044 4.335 230 HA ILE 29 HA ILE 29 8.965 -4.379 4.298 231 HB ILE 29 HB ILE 29 6.279 -5.331 3.312 232 HG12 ILE 29 HG12 ILE 29 8.783 -4.742 1.715 233 HG13 ILE 29 HG11 ILE 29 8.297 -6.364 2.205 234 HG21 ILE 29 HG21 ILE 29 7.801 -2.764 2.767 235 HG22 ILE 29 HG22 ILE 29 6.439 -2.909 3.846 236 HG23 ILE 29 HG23 ILE 29 6.212 -3.183 2.108 237 HD11 ILE 29 HD11 ILE 29 7.717 -5.945 -0.047 238 HD12 ILE 29 HD12 ILE 29 6.836 -4.478 0.392 239 HD13 ILE 29 HD13 ILE 29 6.248 -6.066 0.911 240 H ALA 30 HN ALA 30 8.511 -2.845 5.719 241 HA ALA 30 HA ALA 30 6.532 -3.305 7.795 242 HB1 ALA 30 HB1 ALA 30 7.555 -1.292 8.786 243 HB2 ALA 30 HB2 ALA 30 8.558 -1.139 7.338 244 HB3 ALA 30 HB3 ALA 30 8.777 -2.523 8.414 245 H TYR 31 HN TYR 31 4.594 -2.220 7.742 246 HA TYR 31 HA TYR 31 4.268 0.054 5.981 247 HB2 TYR 31 HB2 TYR 31 2.321 -0.992 4.816 248 HB3 TYR 31 HB1 TYR 31 3.864 -1.731 4.415 249 HD1 TYR 31 HD1 TYR 31 0.636 -2.225 6.103 250 HD2 TYR 31 HD2 TYR 31 4.347 -4.008 5.071 251 HE1 TYR 31 HE1 TYR 31 -0.295 -4.440 6.621 252 HE2 TYR 31 HE2 TYR 31 3.434 -6.237 5.594 253 HH TYR 31 HH TYR 31 1.704 -7.321 6.694 254 H ASP 32 HN ASP 32 1.845 0.736 6.070 255 HA ASP 32 HA ASP 32 0.773 0.207 8.753 256 HB2 ASP 32 HB2 ASP 32 1.937 2.483 8.500 257 HB3 ASP 32 HB1 ASP 32 0.660 2.899 7.360 258 H GLU 33 HN GLU 33 -1.462 -0.078 8.762 259 HA GLU 33 HA GLU 33 -2.808 0.048 6.139 260 HB2 GLU 33 HB2 GLU 33 -3.939 -2.079 6.799 261 HB3 GLU 33 HB1 GLU 33 -2.217 -2.244 6.506 262 HG2 GLU 33 HG2 GLU 33 -1.809 -2.229 8.926 263 HG3 GLU 33 HG1 GLU 33 -3.541 -2.082 9.216 264 H VAL 34 HN VAL 34 -4.766 0.996 6.148 265 HA VAL 34 HA VAL 34 -6.238 1.158 8.632 266 HB VAL 34 HB VAL 34 -4.910 3.265 8.459 267 HG11 VAL 34 HG11 VAL 34 -4.707 3.472 6.063 268 HG12 VAL 34 HG12 VAL 34 -5.354 4.938 6.788 269 HG13 VAL 34 HG13 VAL 34 -6.436 3.843 5.939 270 HG21 VAL 34 HG21 VAL 34 -7.870 3.690 8.109 271 HG22 VAL 34 HG22 VAL 34 -6.739 4.882 8.746 272 HG23 VAL 34 HG23 VAL 34 -7.023 3.379 9.628 273 H ASP 35 HN ASP 35 -8.590 1.504 8.245 274 HA ASP 35 HA ASP 35 -9.274 0.276 5.699 275 HB2 ASP 35 HB2 ASP 35 -10.298 -0.521 7.872 276 HB3 ASP 35 HB1 ASP 35 -11.128 1.027 7.976 277 H ILE 36 HN ILE 36 -10.530 1.216 4.205 278 HA ILE 36 HA ILE 36 -10.333 4.090 4.171 279 HB ILE 36 HB ILE 36 -10.942 4.010 1.833 280 HG12 ILE 36 HG12 ILE 36 -11.207 1.040 2.240 281 HG13 ILE 36 HG11 ILE 36 -12.575 2.123 1.956 282 HG21 ILE 36 HG21 ILE 36 -8.677 3.700 2.343 283 HG22 ILE 36 HG22 ILE 36 -9.079 2.401 1.175 284 HG23 ILE 36 HG23 ILE 36 -8.964 2.057 2.885 285 HD11 ILE 36 HD11 ILE 36 -11.637 2.625 -0.260 286 HD12 ILE 36 HD12 ILE 36 -11.976 0.908 -0.067 287 HD13 ILE 36 HD13 ILE 36 -10.319 1.498 0.051 288 H GLU 37 HN GLU 37 -12.877 1.806 4.603 289 HA GLU 37 HA GLU 37 -14.872 3.657 3.670 290 HB2 GLU 37 HB2 GLU 37 -14.845 1.141 3.403 291 HB3 GLU 37 HB1 GLU 37 -15.254 1.041 5.108 292 HG2 GLU 37 HG2 GLU 37 -17.344 2.122 4.721 293 HG3 GLU 37 HG1 GLU 37 -16.912 2.459 3.043 294 H HIS 38 HN HIS 38 -13.188 2.967 6.443 295 HA HIS 38 HA HIS 38 -15.082 4.189 8.281 296 HB2 HIS 38 HB2 HIS 38 -12.338 2.982 8.670 297 HB3 HIS 38 HB1 HIS 38 -13.225 3.781 9.962 298 HD1 HIS 38 HD1 HIS 38 -13.644 0.766 7.610 299 HD2 HIS 38 HD2 HIS 38 -14.901 2.180 11.322 300 HE1 HIS 38 HE1 HIS 38 -14.953 -1.095 8.662 301 H ASN 39 HN ASN 39 -12.968 5.348 6.024 302 HA ASN 39 HA ASN 39 -12.611 7.840 7.510 303 HB2 ASN 39 HB2 ASN 39 -10.447 6.424 5.940 304 HB3 ASN 39 HB1 ASN 39 -10.336 8.115 6.408 305 HD21 ASN 39 HD21 ASN 39 -10.041 4.829 7.395 306 HD22 ASN 39 HD22 ASN 39 -9.508 5.154 8.993 307 H ARG 40 HN ARG 40 -13.876 9.157 6.433 308 HA ARG 40 HA ARG 40 -14.959 8.864 3.919 309 HB2 ARG 40 HB2 ARG 40 -15.796 10.392 5.619 310 HB3 ARG 40 HB1 ARG 40 -14.391 11.423 5.397 311 HG2 ARG 40 HG2 ARG 40 -15.128 11.725 3.013 312 HG3 ARG 40 HG1 ARG 40 -16.627 10.905 3.458 313 HD2 ARG 40 HD2 ARG 40 -16.943 13.289 3.610 314 HD3 ARG 40 HD1 ARG 40 -16.979 12.587 5.230 315 HE ARG 40 HE ARG 40 -14.590 13.874 4.095 316 HH11 ARG 40 HH11 ARG 40 -16.728 13.330 6.879 317 HH12 ARG 40 HH12 ARG 40 -15.987 14.508 7.851 318 HH21 ARG 40 HH21 ARG 40 -13.550 15.447 5.457 319 HH22 ARG 40 HH22 ARG 40 -14.130 15.723 7.036 320 H ALA 41 HN ALA 41 -12.188 10.897 4.814 321 HA ALA 41 HA ALA 41 -11.744 11.916 2.221 322 HB1 ALA 41 HB1 ALA 41 -11.020 13.078 4.271 323 HB2 ALA 41 HB2 ALA 41 -9.715 12.849 3.109 324 HB3 ALA 41 HB3 ALA 41 -9.816 11.814 4.531 325 H ALA 42 HN ALA 42 -10.444 9.220 4.013 326 HA ALA 42 HA ALA 42 -8.394 8.663 2.130 327 HB1 ALA 42 HB1 ALA 42 -9.680 6.715 4.052 328 HB2 ALA 42 HB2 ALA 42 -8.328 7.775 4.441 329 HB3 ALA 42 HB3 ALA 42 -8.140 6.524 3.207 330 H ALA 43 HN ALA 43 -11.682 7.498 2.588 331 HA ALA 43 HA ALA 43 -11.735 5.557 0.580 332 HB1 ALA 43 HB1 ALA 43 -14.155 5.719 0.710 333 HB2 ALA 43 HB2 ALA 43 -14.009 7.239 1.597 334 HB3 ALA 43 HB3 ALA 43 -13.437 5.739 2.321 335 H GLU 44 HN GLU 44 -12.536 9.016 0.422 336 HA GLU 44 HA GLU 44 -13.352 8.791 -2.269 337 HB2 GLU 44 HB2 GLU 44 -13.450 11.257 -2.302 338 HB3 GLU 44 HB1 GLU 44 -14.317 10.515 -0.971 339 HG2 GLU 44 HG2 GLU 44 -13.408 12.221 0.000 340 HG3 GLU 44 HG1 GLU 44 -12.176 10.997 0.342 341 H PHE 45 HN PHE 45 -10.348 9.168 -0.809 342 HA PHE 45 HA PHE 45 -8.925 10.086 -3.104 343 HB2 PHE 45 HB2 PHE 45 -8.048 10.483 -0.856 344 HB3 PHE 45 HB1 PHE 45 -8.044 8.764 -0.531 345 HD1 PHE 45 HD2 PHE 45 -6.558 11.245 -2.883 346 HD2 PHE 45 HD1 PHE 45 -6.079 7.577 -0.772 347 HE1 PHE 45 HE2 PHE 45 -4.239 11.113 -3.652 348 HE2 PHE 45 HE1 PHE 45 -3.758 7.454 -1.530 349 HZ PHE 45 HZ PHE 45 -2.829 9.219 -2.971 350 H VAL 46 HN VAL 46 -8.975 6.989 -1.394 351 HA VAL 46 HA VAL 46 -7.575 5.555 -3.372 352 HB VAL 46 HB VAL 46 -7.550 4.703 -1.116 353 HG11 VAL 46 HG11 VAL 46 -10.483 4.293 -1.447 354 HG12 VAL 46 HG12 VAL 46 -9.695 5.513 -0.408 355 HG13 VAL 46 HG13 VAL 46 -9.477 3.780 -0.091 356 HG21 VAL 46 HG21 VAL 46 -7.527 3.081 -2.979 357 HG22 VAL 46 HG22 VAL 46 -9.249 2.786 -2.633 358 HG23 VAL 46 HG23 VAL 46 -8.026 2.429 -1.411 359 H GLY 47 HN GLY 47 -11.034 6.034 -2.919 360 HA2 GLY 47 HA2 GLY 47 -11.887 4.052 -4.724 361 HA3 GLY 47 HA1 GLY 47 -12.811 5.462 -4.234 362 H SER 48 HN SER 48 -10.861 7.365 -5.206 363 HA SER 48 HA SER 48 -11.813 7.462 -7.892 364 HB2 SER 48 HB2 SER 48 -9.915 9.308 -6.438 365 HB3 SER 48 HB1 SER 48 -10.776 9.662 -7.940 366 HG SER 48 HG SER 48 -11.629 9.846 -5.378 367 H VAL 49 HN VAL 49 -8.825 6.581 -6.321 368 HA VAL 49 HA VAL 49 -7.403 6.522 -8.885 369 HB VAL 49 HB VAL 49 -5.356 6.136 -7.589 370 HG11 VAL 49 HG11 VAL 49 -7.026 8.345 -6.452 371 HG12 VAL 49 HG12 VAL 49 -6.038 8.436 -7.918 372 HG13 VAL 49 HG13 VAL 49 -5.272 8.242 -6.330 373 HG21 VAL 49 HG21 VAL 49 -5.349 6.098 -5.150 374 HG22 VAL 49 HG22 VAL 49 -6.362 4.784 -5.780 375 HG23 VAL 49 HG23 VAL 49 -7.105 6.254 -5.150 376 H ASN 50 HN ASN 50 -9.478 4.607 -7.654 377 HA ASN 50 HA ASN 50 -8.013 2.103 -7.494 378 HB2 ASN 50 HB2 ASN 50 -10.485 3.053 -6.490 379 HB3 ASN 50 HB1 ASN 50 -10.882 1.768 -7.624 380 HD21 ASN 50 HD21 ASN 50 -8.097 2.113 -5.556 381 HD22 ASN 50 HD22 ASN 50 -8.373 0.680 -4.645 382 H GLY 51 HN GLY 51 -9.555 0.263 -8.669 383 HA2 GLY 51 HA2 GLY 51 -9.800 1.061 -11.486 384 HA3 GLY 51 HA1 GLY 51 -9.406 -0.567 -10.933 385 H GLY 52 HN GLY 52 -11.929 1.848 -11.155 386 HA2 GLY 52 HA2 GLY 52 -14.155 1.180 -11.746 387 HA3 GLY 52 HA1 GLY 52 -13.919 -0.282 -10.787 388 H ASN 53 HN ASN 53 -14.874 -0.255 -8.894 389 HA ASN 53 HA ASN 53 -15.533 2.293 -7.593 390 HB2 ASN 53 HB2 ASN 53 -16.361 -0.565 -6.940 391 HB3 ASN 53 HB1 ASN 53 -16.880 0.852 -6.041 392 HD21 ASN 53 HD21 ASN 53 -18.429 2.215 -6.949 393 HD22 ASN 53 HD22 ASN 53 -19.360 1.734 -8.325 394 H ARG 54 HN ARG 54 -15.331 1.761 -4.920 395 HA ARG 54 HA ARG 54 -12.491 1.303 -4.752 396 HB2 ARG 54 HB2 ARG 54 -12.454 2.190 -2.542 397 HB3 ARG 54 HB1 ARG 54 -13.658 3.147 -3.359 398 HG2 ARG 54 HG2 ARG 54 -14.217 0.893 -1.422 399 HG3 ARG 54 HG1 ARG 54 -14.234 2.603 -1.031 400 HD2 ARG 54 HD2 ARG 54 -16.129 2.919 -2.550 401 HD3 ARG 54 HD1 ARG 54 -16.082 1.199 -2.960 402 HE ARG 54 HE ARG 54 -16.296 1.058 -0.332 403 HH11 ARG 54 HH11 ARG 54 -18.178 3.011 -2.601 404 HH12 ARG 54 HH12 ARG 54 -19.543 3.097 -1.588 405 HH21 ARG 54 HH21 ARG 54 -18.166 1.166 1.046 406 HH22 ARG 54 HH22 ARG 54 -19.538 2.025 0.518 407 H THR 55 HN THR 55 -11.893 -0.646 -4.986 408 HA THR 55 HA THR 55 -13.095 -2.691 -3.284 409 HB THR 55 HB THR 55 -14.353 -2.804 -5.351 410 HG1 THR 55 HG1 THR 55 -13.934 -4.785 -4.400 411 HG21 THR 55 HG21 THR 55 -12.756 -1.796 -6.889 412 HG22 THR 55 HG22 THR 55 -13.267 -3.368 -7.511 413 HG23 THR 55 HG23 THR 55 -11.692 -3.189 -6.734 414 H VAL 56 HN VAL 56 -10.284 -1.570 -5.082 415 HA VAL 56 HA VAL 56 -8.904 -3.950 -4.142 416 HB VAL 56 HB VAL 56 -7.102 -3.416 -5.842 417 HG11 VAL 56 HG11 VAL 56 -9.858 -4.052 -6.902 418 HG12 VAL 56 HG12 VAL 56 -8.715 -5.204 -6.220 419 HG13 VAL 56 HG13 VAL 56 -8.339 -4.381 -7.733 420 HG21 VAL 56 HG21 VAL 56 -7.739 -2.039 -7.765 421 HG22 VAL 56 HG22 VAL 56 -7.667 -1.097 -6.275 422 HG23 VAL 56 HG23 VAL 56 -9.229 -1.588 -6.935 423 HA PRO 57 HA PRO 57 -6.626 -1.651 -1.212 424 HB2 PRO 57 HB2 PRO 57 -4.305 -3.169 -1.263 425 HB3 PRO 57 HB1 PRO 57 -5.737 -3.578 -0.318 426 HG2 PRO 57 HG2 PRO 57 -4.851 -4.628 -2.956 427 HG3 PRO 57 HG1 PRO 57 -5.636 -5.474 -1.614 428 HD2 PRO 57 HD2 PRO 57 -6.964 -4.728 -3.825 429 HD3 PRO 57 HD1 PRO 57 -7.746 -4.736 -2.224 430 H THR 58 HN THR 58 -5.707 0.180 -1.577 431 HA THR 58 HA THR 58 -3.764 0.476 -3.785 432 HB THR 58 HB THR 58 -5.428 2.572 -2.447 433 HG1 THR 58 HG1 THR 58 -6.364 0.670 -3.817 434 HG21 THR 58 HG21 THR 58 -4.984 3.872 -4.466 435 HG22 THR 58 HG22 THR 58 -4.039 2.552 -5.141 436 HG23 THR 58 HG23 THR 58 -3.475 3.409 -3.687 437 H VAL 59 HN VAL 59 -1.881 1.130 -3.291 438 HA VAL 59 HA VAL 59 -1.432 1.553 -0.470 439 HB VAL 59 HB VAL 59 -0.348 -0.401 -1.383 440 HG11 VAL 59 HG11 VAL 59 1.455 -0.250 -3.027 441 HG12 VAL 59 HG12 VAL 59 1.053 1.452 -3.280 442 HG13 VAL 59 HG13 VAL 59 -0.121 0.196 -3.688 443 HG21 VAL 59 HG21 VAL 59 0.718 0.687 0.375 444 HG22 VAL 59 HG22 VAL 59 1.481 1.831 -0.751 445 HG23 VAL 59 HG23 VAL 59 1.953 0.111 -0.771 446 H LYS 60 HN LYS 60 -0.945 3.491 0.209 447 HA LYS 60 HA LYS 60 -0.066 5.515 -1.731 448 HB2 LYS 60 HB2 LYS 60 -2.082 5.982 -0.175 449 HB3 LYS 60 HB1 LYS 60 -0.919 5.960 1.132 450 HG2 LYS 60 HG2 LYS 60 0.342 7.788 0.022 451 HG3 LYS 60 HG1 LYS 60 -0.924 7.873 -1.198 452 HD2 LYS 60 HD2 LYS 60 -1.313 9.604 0.411 453 HD3 LYS 60 HD1 LYS 60 -2.554 8.383 0.639 454 HE2 LYS 60 HE2 LYS 60 -1.332 7.456 2.531 455 HE3 LYS 60 HE1 LYS 60 -0.022 8.608 2.257 456 HZ1 LYS 60 HZ1 LYS 60 -1.599 10.394 2.758 457 HZ2 LYS 60 HZ2 LYS 60 -1.413 9.348 4.046 458 HZ3 LYS 60 HZ3 LYS 60 -2.805 9.263 3.107 459 H PHE 61 HN PHE 61 2.007 5.853 -1.760 460 HA PHE 61 HA PHE 61 3.653 4.908 0.415 461 HB2 PHE 61 HB2 PHE 61 4.326 6.134 -2.241 462 HB3 PHE 61 HB1 PHE 61 5.522 5.677 -1.036 463 HD1 PHE 61 HD2 PHE 61 2.894 4.394 -3.266 464 HD2 PHE 61 HD1 PHE 61 6.208 3.465 -0.777 465 HE1 PHE 61 HE2 PHE 61 2.917 2.120 -4.154 466 HE2 PHE 61 HE1 PHE 61 6.242 1.179 -1.667 467 HZ PHE 61 HZ PHE 61 4.601 0.510 -3.355 468 H ALA 62 HN ALA 62 5.388 6.288 1.230 469 HA ALA 62 HA ALA 62 4.484 8.612 2.412 470 HB1 ALA 62 HB1 ALA 62 7.336 7.795 1.911 471 HB2 ALA 62 HB2 ALA 62 6.333 7.261 3.261 472 HB3 ALA 62 HB3 ALA 62 6.783 8.961 3.110 473 H ASP 63 HN ASP 63 5.720 8.216 -0.803 474 HA ASP 63 HA ASP 63 6.518 10.999 -1.039 475 HB2 ASP 63 HB2 ASP 63 7.268 10.514 -3.235 476 HB3 ASP 63 HB1 ASP 63 7.685 9.093 -2.301 477 H GLY 64 HN GLY 64 3.646 9.436 -1.003 478 HA2 GLY 64 HA2 GLY 64 1.568 10.420 -1.267 479 HA3 GLY 64 HA1 GLY 64 2.317 11.731 -2.166 480 H SER 65 HN SER 65 3.138 8.578 -3.173 481 HA SER 65 HA SER 65 1.356 8.900 -5.461 482 HB2 SER 65 HB2 SER 65 3.733 8.858 -6.008 483 HB3 SER 65 HB1 SER 65 3.928 7.342 -5.141 484 HG SER 65 HG SER 65 2.695 7.876 -7.588 485 H THR 66 HN THR 66 0.016 7.227 -6.059 486 HA THR 66 HA THR 66 -0.169 5.003 -4.180 487 HB THR 66 HB THR 66 -2.599 4.984 -5.166 488 HG1 THR 66 HG1 THR 66 -2.095 6.795 -6.605 489 HG21 THR 66 HG21 THR 66 -2.053 5.286 -2.830 490 HG22 THR 66 HG22 THR 66 -3.331 6.404 -3.326 491 HG23 THR 66 HG23 THR 66 -1.675 6.988 -3.122 492 H LEU 67 HN LEU 67 -0.323 2.996 -4.986 493 HA LEU 67 HA LEU 67 -0.528 2.696 -7.898 494 HB2 LEU 67 HB2 LEU 67 1.171 0.987 -6.042 495 HB3 LEU 67 HB1 LEU 67 0.927 0.687 -7.745 496 HG LEU 67 HG LEU 67 2.464 2.988 -6.519 497 HD11 LEU 67 HD11 LEU 67 4.397 1.956 -7.602 498 HD12 LEU 67 HD12 LEU 67 3.372 0.658 -8.193 499 HD13 LEU 67 HD13 LEU 67 3.642 0.834 -6.466 500 HD21 LEU 67 HD21 LEU 67 1.941 2.367 -9.435 501 HD22 LEU 67 HD22 LEU 67 3.058 3.587 -8.829 502 HD23 LEU 67 HD23 LEU 67 1.331 3.763 -8.540 503 H THR 68 HN THR 68 -2.087 1.338 -8.556 504 HA THR 68 HA THR 68 -4.029 0.313 -6.814 505 HB THR 68 HB THR 68 -3.532 -0.697 -9.598 506 HG1 THR 68 HG1 THR 68 -4.119 1.214 -10.424 507 HG21 THR 68 HG21 THR 68 -6.001 0.138 -8.073 508 HG22 THR 68 HG22 THR 68 -5.465 -1.519 -8.326 509 HG23 THR 68 HG23 THR 68 -5.989 -0.541 -9.702 510 H ASN 69 HN ASN 69 -4.203 -1.773 -5.965 511 HA ASN 69 HA ASN 69 -2.652 -3.321 -4.846 512 HB2 ASN 69 HB2 ASN 69 -3.829 -5.436 -5.351 513 HB3 ASN 69 HB1 ASN 69 -4.905 -4.086 -5.055 514 HD21 ASN 69 HD21 ASN 69 -5.444 -6.601 -6.399 515 HD22 ASN 69 HD22 ASN 69 -5.942 -6.230 -8.002 516 HA PRO 70 HA PRO 70 0.668 -4.598 -7.678 517 HB2 PRO 70 HB2 PRO 70 2.585 -3.335 -6.262 518 HB3 PRO 70 HB1 PRO 70 1.624 -2.540 -7.507 519 HG2 PRO 70 HG2 PRO 70 1.590 -2.058 -4.649 520 HG3 PRO 70 HG1 PRO 70 0.725 -1.185 -5.923 521 HD2 PRO 70 HD2 PRO 70 -0.254 -3.311 -4.106 522 HD3 PRO 70 HD1 PRO 70 -1.135 -2.097 -5.054 523 H SER 71 HN SER 71 2.628 -5.777 -7.295 524 HA SER 71 HA SER 71 2.322 -7.687 -5.157 525 HB2 SER 71 HB2 SER 71 4.588 -7.485 -7.156 526 HB3 SER 71 HB1 SER 71 4.011 -8.917 -6.312 527 HG SER 71 HG SER 71 2.793 -7.464 -8.377 528 H ALA 72 HN ALA 72 4.265 -8.202 -3.782 529 HA ALA 72 HA ALA 72 5.163 -5.912 -2.328 530 HB1 ALA 72 HB1 ALA 72 6.407 -7.487 -1.018 531 HB2 ALA 72 HB2 ALA 72 6.207 -8.730 -2.246 532 HB3 ALA 72 HB3 ALA 72 4.807 -8.152 -1.343 533 H ASP 73 HN ASP 73 6.717 -7.979 -4.669 534 HA ASP 73 HA ASP 73 9.297 -6.884 -4.525 535 HB2 ASP 73 HB2 ASP 73 7.840 -8.031 -6.908 536 HB3 ASP 73 HB1 ASP 73 9.553 -7.643 -6.893 537 H GLU 74 HN GLU 74 6.505 -5.941 -6.401 538 HA GLU 74 HA GLU 74 7.685 -3.924 -7.959 539 HB2 GLU 74 HB2 GLU 74 4.832 -4.211 -7.045 540 HB3 GLU 74 HB1 GLU 74 5.384 -3.122 -8.307 541 HG2 GLU 74 HG2 GLU 74 6.110 -5.054 -9.626 542 HG3 GLU 74 HG1 GLU 74 5.504 -6.130 -8.367 543 H VAL 75 HN VAL 75 5.861 -3.786 -4.933 544 HA VAL 75 HA VAL 75 6.101 -0.987 -4.760 545 HB VAL 75 HB VAL 75 5.294 -1.239 -2.368 546 HG11 VAL 75 HG11 VAL 75 3.780 -0.886 -4.340 547 HG12 VAL 75 HG12 VAL 75 3.066 -1.826 -3.026 548 HG13 VAL 75 HG13 VAL 75 3.673 -2.646 -4.463 549 HG21 VAL 75 HG21 VAL 75 4.402 -3.353 -1.689 550 HG22 VAL 75 HG22 VAL 75 6.123 -3.591 -2.082 551 HG23 VAL 75 HG23 VAL 75 4.845 -4.043 -3.234 552 H LYS 76 HN LYS 76 8.115 -3.558 -3.473 553 HA LYS 76 HA LYS 76 9.654 -1.935 -1.737 554 HB2 LYS 76 HB2 LYS 76 10.425 -4.428 -3.255 555 HB3 LYS 76 HB1 LYS 76 11.457 -3.687 -2.019 556 HG2 LYS 76 HG2 LYS 76 9.596 -4.042 -0.418 557 HG3 LYS 76 HG1 LYS 76 8.724 -4.881 -1.693 558 HD2 LYS 76 HD2 LYS 76 9.733 -6.565 -0.345 559 HD3 LYS 76 HD1 LYS 76 10.692 -6.471 -1.823 560 HE2 LYS 76 HE2 LYS 76 12.397 -5.215 -0.705 561 HE3 LYS 76 HE1 LYS 76 11.386 -5.040 0.729 562 HZ1 LYS 76 HZ1 LYS 76 13.047 -6.725 1.063 563 HZ2 LYS 76 HZ2 LYS 76 12.560 -7.587 -0.285 564 HZ3 LYS 76 HZ3 LYS 76 11.539 -7.453 1.067 565 H ALA 77 HN ALA 77 9.797 -2.466 -5.161 566 HA ALA 77 HA ALA 77 12.296 -1.235 -5.619 567 HB1 ALA 77 HB1 ALA 77 9.945 -1.607 -7.451 568 HB2 ALA 77 HB2 ALA 77 11.274 -2.747 -7.225 569 HB3 ALA 77 HB3 ALA 77 11.572 -1.170 -7.964 570 H LYS 78 HN LYS 78 9.074 0.005 -5.224 571 HA LYS 78 HA LYS 78 9.797 2.658 -6.178 572 HB2 LYS 78 HB2 LYS 78 7.428 1.541 -6.226 573 HB3 LYS 78 HB1 LYS 78 7.344 2.040 -4.540 574 HG2 LYS 78 HG2 LYS 78 7.921 4.398 -5.402 575 HG3 LYS 78 HG1 LYS 78 7.563 3.724 -6.987 576 HD2 LYS 78 HD2 LYS 78 5.328 3.089 -6.215 577 HD3 LYS 78 HD1 LYS 78 5.664 3.874 -4.674 578 HE2 LYS 78 HE2 LYS 78 5.696 5.207 -7.368 579 HE3 LYS 78 HE1 LYS 78 4.387 5.333 -6.190 580 HZ1 LYS 78 HZ1 LYS 78 7.180 6.278 -5.788 581 HZ2 LYS 78 HZ2 LYS 78 5.892 6.580 -4.701 582 HZ3 LYS 78 HZ3 LYS 78 5.903 7.248 -6.212 583 H LEU 79 HN LEU 79 9.035 1.012 -3.186 584 HA LEU 79 HA LEU 79 9.194 3.033 -1.311 585 HB2 LEU 79 HB2 LEU 79 8.229 0.912 -0.816 586 HB3 LEU 79 HB1 LEU 79 9.735 0.086 -1.133 587 HG LEU 79 HG LEU 79 10.708 1.066 0.864 588 HD11 LEU 79 HD11 LEU 79 7.953 2.219 1.367 589 HD12 LEU 79 HD12 LEU 79 9.398 3.142 0.948 590 HD13 LEU 79 HD13 LEU 79 9.329 2.267 2.473 591 HD21 LEU 79 HD21 LEU 79 8.087 -0.346 1.325 592 HD22 LEU 79 HD22 LEU 79 9.387 -0.200 2.506 593 HD23 LEU 79 HD23 LEU 79 9.650 -1.098 1.012 594 H VAL 80 HN VAL 80 11.799 1.009 -2.597 595 HA VAL 80 HA VAL 80 13.729 1.789 -0.748 596 HB VAL 80 HB VAL 80 14.067 -0.182 -2.148 597 HG11 VAL 80 HG11 VAL 80 13.084 0.571 -4.205 598 HG12 VAL 80 HG12 VAL 80 14.714 -0.038 -4.491 599 HG13 VAL 80 HG13 VAL 80 14.414 1.703 -4.467 600 HG21 VAL 80 HG21 VAL 80 16.426 0.121 -2.770 601 HG22 VAL 80 HG22 VAL 80 16.057 0.821 -1.193 602 HG23 VAL 80 HG23 VAL 80 16.232 1.867 -2.605 603 H LYS 81 HN LYS 81 12.678 3.370 -3.646 604 HA LYS 81 HA LYS 81 14.845 5.258 -3.742 605 HB2 LYS 81 HB2 LYS 81 12.139 5.277 -5.081 606 HB3 LYS 81 HB1 LYS 81 13.517 6.291 -5.497 607 HG2 LYS 81 HG2 LYS 81 14.769 4.408 -6.273 608 HG3 LYS 81 HG1 LYS 81 13.563 3.286 -5.641 609 HD2 LYS 81 HD2 LYS 81 13.367 3.517 -8.066 610 HD3 LYS 81 HD1 LYS 81 11.930 4.133 -7.255 611 HE2 LYS 81 HE2 LYS 81 12.772 6.416 -7.511 612 HE3 LYS 81 HE1 LYS 81 14.217 5.789 -8.308 613 HZ1 LYS 81 HZ1 LYS 81 12.586 6.607 -9.860 614 HZ2 LYS 81 HZ2 LYS 81 11.431 5.530 -9.300 615 HZ3 LYS 81 HZ3 LYS 81 12.825 4.955 -10.079 616 H ILE 82 HN ILE 82 11.865 4.982 -2.130 617 HA ILE 82 HA ILE 82 11.458 7.814 -1.707 618 HB ILE 82 HB ILE 82 9.995 5.408 -0.631 619 HG12 ILE 82 HG12 ILE 82 9.234 7.372 -2.792 620 HG13 ILE 82 HG11 ILE 82 9.878 5.754 -3.065 621 HG21 ILE 82 HG21 ILE 82 8.213 7.019 -0.002 622 HG22 ILE 82 HG22 ILE 82 9.317 8.346 -0.399 623 HG23 ILE 82 HG23 ILE 82 9.705 7.242 0.910 624 HD11 ILE 82 HD11 ILE 82 7.330 6.406 -1.647 625 HD12 ILE 82 HD12 ILE 82 7.930 4.783 -2.010 626 HD13 ILE 82 HD13 ILE 82 7.448 5.872 -3.315 627 H ALA 83 HN ALA 83 12.092 5.002 0.344 628 HA ALA 83 HA ALA 83 12.578 6.787 2.588 629 HB1 ALA 83 HB1 ALA 83 11.195 4.774 2.898 630 HB2 ALA 83 HB2 ALA 83 12.598 4.823 3.965 631 HB3 ALA 83 HB3 ALA 83 12.618 3.782 2.543 632 H GLY 84 HN GLY 84 14.383 4.729 0.403 633 HA2 GLY 84 HA2 GLY 84 16.620 4.423 0.159 634 HA3 GLY 84 HA1 GLY 84 16.876 5.781 1.260 635 H LEU 85 HN LEU 85 15.136 2.802 1.851 636 HA LEU 85 HA LEU 85 16.431 2.319 4.315 637 HB2 LEU 85 HB2 LEU 85 15.272 0.184 4.434 638 HB3 LEU 85 HB1 LEU 85 14.181 1.411 3.833 639 HG LEU 85 HG LEU 85 15.552 -0.523 1.975 640 HD11 LEU 85 HD11 LEU 85 14.284 -1.813 3.646 641 HD12 LEU 85 HD12 LEU 85 13.504 -1.874 2.066 642 HD13 LEU 85 HD13 LEU 85 12.860 -0.824 3.322 643 HD21 LEU 85 HD21 LEU 85 13.028 1.114 1.758 644 HD22 LEU 85 HD22 LEU 85 13.643 -0.006 0.540 645 HD23 LEU 85 HD23 LEU 85 14.574 1.435 0.967 646 H GLU 86 HN GLU 86 16.989 1.161 1.078 647 HA GLU 86 HA GLU 86 19.098 -0.603 1.922 648 HB2 GLU 86 HB2 GLU 86 17.704 -1.188 -0.039 649 HB3 GLU 86 HB1 GLU 86 18.234 0.278 -0.846 650 HG2 GLU 86 HG2 GLU 86 19.397 -1.714 -1.669 651 HG3 GLU 86 HG1 GLU 86 20.503 -0.551 -0.938 652 H HIS 87 HN HIS 87 21.126 -0.056 2.121 653 HA HIS 87 HA HIS 87 21.805 2.722 1.762 654 HB2 HIS 87 HB2 HIS 87 23.922 2.191 2.966 655 HB3 HIS 87 HB1 HIS 87 22.495 1.709 3.853 656 HD1 HIS 87 HD1 HIS 87 22.293 -0.763 4.485 657 HD2 HIS 87 HD2 HIS 87 25.462 0.037 1.919 658 HE1 HIS 87 HE1 HIS 87 23.688 -2.852 4.419 659 H HIS 88 HN HIS 88 22.332 -0.250 0.179 660 HA HIS 88 HA HIS 88 23.043 -0.756 -1.899 661 HB2 HIS 88 HB2 HIS 88 21.852 1.398 -2.482 662 HB3 HIS 88 HB1 HIS 88 23.400 2.215 -2.327 663 HD1 HIS 88 HD1 HIS 88 21.311 0.346 -4.692 664 HD2 HIS 88 HD2 HIS 88 25.288 1.492 -4.384 665 HE1 HIS 88 HE1 HIS 88 22.264 0.161 -6.994 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 13.509 8.589 9.215 2 H2 MET 1 HT2 MET 1 14.886 8.446 8.297 3 H3 MET 1 HT3 MET 1 13.690 7.269 8.177 4 HA MET 1 HA MET 1 13.564 10.102 7.382 5 HB2 MET 1 HB2 MET 1 13.513 7.576 5.730 6 HB3 MET 1 HB1 MET 1 13.121 9.159 5.088 7 HG2 MET 1 HG2 MET 1 15.768 8.261 6.211 8 HG3 MET 1 HG1 MET 1 15.387 8.595 4.525 9 HE1 MET 1 HE1 MET 1 14.822 11.088 3.598 10 HE2 MET 1 HE2 MET 1 14.776 12.507 4.643 11 HE3 MET 1 HE3 MET 1 13.568 11.241 4.828 12 H VAL 2 HN VAL 2 11.603 7.069 7.028 13 HA VAL 2 HA VAL 2 9.296 8.782 7.435 14 HB VAL 2 HB VAL 2 8.049 7.528 5.677 15 HG11 VAL 2 HG11 VAL 2 9.096 8.602 3.734 16 HG12 VAL 2 HG12 VAL 2 10.535 8.923 4.698 17 HG13 VAL 2 HG13 VAL 2 9.004 9.689 5.120 18 HG21 VAL 2 HG21 VAL 2 9.276 6.197 4.007 19 HG22 VAL 2 HG22 VAL 2 9.398 5.475 5.613 20 HG23 VAL 2 HG23 VAL 2 10.755 6.383 4.952 21 H THR 3 HN THR 3 7.920 8.027 8.886 22 HA THR 3 HA THR 3 8.366 5.348 9.880 23 HB THR 3 HB THR 3 8.169 7.108 11.580 24 HG1 THR 3 HG1 THR 3 6.472 4.966 11.432 25 HG21 THR 3 HG21 THR 3 6.029 8.260 11.989 26 HG22 THR 3 HG22 THR 3 5.351 7.499 10.549 27 HG23 THR 3 HG23 THR 3 6.674 8.655 10.396 28 H ALA 4 HN ALA 4 6.162 7.127 7.943 29 HA ALA 4 HA ALA 4 4.378 4.830 7.809 30 HB1 ALA 4 HB1 ALA 4 2.851 6.324 6.594 31 HB2 ALA 4 HB2 ALA 4 4.046 7.616 6.661 32 HB3 ALA 4 HB3 ALA 4 3.296 7.036 8.147 33 H ALA 5 HN ALA 5 5.667 3.518 6.682 34 HA ALA 5 HA ALA 5 7.321 4.171 4.505 35 HB1 ALA 5 HB1 ALA 5 7.376 1.733 4.118 36 HB2 ALA 5 HB2 ALA 5 6.038 1.530 5.236 37 HB3 ALA 5 HB3 ALA 5 7.590 2.124 5.823 38 H LEU 6 HN LEU 6 4.252 2.427 4.516 39 HA LEU 6 HA LEU 6 3.240 3.991 2.467 40 HB2 LEU 6 HB2 LEU 6 2.801 2.231 0.783 41 HB3 LEU 6 HB1 LEU 6 4.492 2.581 0.957 42 HG LEU 6 HG LEU 6 4.335 0.318 0.524 43 HD11 LEU 6 HD11 LEU 6 4.712 0.457 3.464 44 HD12 LEU 6 HD12 LEU 6 5.931 0.629 2.201 45 HD13 LEU 6 HD13 LEU 6 5.113 -0.918 2.436 46 HD21 LEU 6 HD21 LEU 6 2.907 -1.266 1.731 47 HD22 LEU 6 HD22 LEU 6 2.079 -0.044 0.762 48 HD23 LEU 6 HD23 LEU 6 2.133 0.128 2.525 49 H THR 7 HN THR 7 1.143 4.021 2.416 50 HA THR 7 HA THR 7 -0.075 2.680 4.714 51 HB THR 7 HB THR 7 -1.145 5.060 3.178 52 HG1 THR 7 HG1 THR 7 1.063 5.124 4.395 53 HG21 THR 7 HG21 THR 7 -2.398 5.461 5.255 54 HG22 THR 7 HG22 THR 7 -1.652 4.036 5.978 55 HG23 THR 7 HG23 THR 7 -2.756 3.853 4.615 56 H ILE 8 HN ILE 8 -1.591 1.259 4.425 57 HA ILE 8 HA ILE 8 -2.517 0.612 1.757 58 HB ILE 8 HB ILE 8 -2.640 -0.876 4.386 59 HG12 ILE 8 HG12 ILE 8 -1.219 -1.457 1.786 60 HG13 ILE 8 HG11 ILE 8 -0.459 -0.947 3.294 61 HG21 ILE 8 HG21 ILE 8 -4.686 -1.303 3.241 62 HG22 ILE 8 HG22 ILE 8 -3.672 -2.746 3.184 63 HG23 ILE 8 HG23 ILE 8 -3.839 -1.724 1.748 64 HD11 ILE 8 HD11 ILE 8 -1.162 -3.065 4.317 65 HD12 ILE 8 HD12 ILE 8 -0.147 -3.315 2.899 66 HD13 ILE 8 HD13 ILE 8 -1.890 -3.551 2.787 67 H TYR 9 HN TYR 9 -4.330 1.397 1.119 68 HA TYR 9 HA TYR 9 -6.461 1.975 3.044 69 HB2 TYR 9 HB2 TYR 9 -6.173 2.724 0.128 70 HB3 TYR 9 HB1 TYR 9 -7.554 3.127 1.134 71 HD1 TYR 9 HD2 TYR 9 -6.786 4.365 3.419 72 HD2 TYR 9 HD1 TYR 9 -4.678 4.391 -0.265 73 HE1 TYR 9 HE2 TYR 9 -5.702 6.461 4.068 74 HE2 TYR 9 HE1 TYR 9 -3.590 6.485 0.368 75 HH TYR 9 HH TYR 9 -4.205 8.429 1.937 76 H THR 10 HN THR 10 -7.846 0.372 3.330 77 HA THR 10 HA THR 10 -8.935 -1.020 1.091 78 HB THR 10 HB THR 10 -6.848 -2.430 1.519 79 HG1 THR 10 HG1 THR 10 -8.713 -4.121 2.528 80 HG21 THR 10 HG21 THR 10 -6.610 -1.870 3.931 81 HG22 THR 10 HG22 THR 10 -6.605 -3.609 3.634 82 HG23 THR 10 HG23 THR 10 -8.054 -2.827 4.265 83 H THR 11 HN THR 11 -10.476 -2.687 2.043 84 HA THR 11 HA THR 11 -11.545 -1.914 4.631 85 HB THR 11 HB THR 11 -13.662 -2.949 3.116 86 HG1 THR 11 HG1 THR 11 -12.686 -2.585 1.133 87 HG21 THR 11 HG21 THR 11 -12.975 -0.064 3.732 88 HG22 THR 11 HG22 THR 11 -13.864 -1.166 4.778 89 HG23 THR 11 HG23 THR 11 -14.560 -0.651 3.241 90 H SER 12 HN SER 12 -12.632 -3.786 5.667 91 HA SER 12 HA SER 12 -10.983 -6.064 5.412 92 HB2 SER 12 HB2 SER 12 -11.924 -5.203 7.568 93 HB3 SER 12 HB1 SER 12 -13.508 -5.775 7.060 94 HG SER 12 HG SER 12 -11.791 -7.790 6.795 95 H TRP 13 HN TRP 13 -13.890 -5.203 3.853 96 HA TRP 13 HA TRP 13 -14.614 -7.939 3.331 97 HB2 TRP 13 HB2 TRP 13 -16.403 -6.913 1.838 98 HB3 TRP 13 HB1 TRP 13 -16.516 -6.592 3.557 99 HD1 TRP 13 HD1 TRP 13 -16.495 -4.117 4.316 100 HE1 TRP 13 HE1 TRP 13 -16.492 -1.865 3.101 101 HE3 TRP 13 HE3 TRP 13 -15.344 -5.723 -0.397 102 HZ2 TRP 13 HZ2 TRP 13 -16.052 -0.878 0.507 103 HZ3 TRP 13 HZ3 TRP 13 -15.147 -4.044 -2.194 104 HH2 TRP 13 HH2 TRP 13 -15.495 -1.675 -1.747 105 H CYS 14 HN CYS 14 -12.292 -6.000 2.073 106 HA CYS 14 HA CYS 14 -12.578 -6.718 -0.688 107 HB2 CYS 14 HB2 CYS 14 -10.240 -5.565 0.842 108 HB3 CYS 14 HB1 CYS 14 -10.310 -5.732 -0.912 109 HG CYS 14 HG CYS 14 -11.773 -3.732 -1.436 110 H GLY 15 HN GLY 15 -11.713 -8.434 -1.734 111 HA2 GLY 15 HA2 GLY 15 -10.899 -10.654 -0.143 112 HA3 GLY 15 HA1 GLY 15 -11.088 -10.622 -1.890 113 H TYR 16 HN TYR 16 -9.266 -8.510 -2.412 114 HA TYR 16 HA TYR 16 -6.878 -10.064 -2.238 115 HB2 TYR 16 HB2 TYR 16 -7.416 -7.400 -3.495 116 HB3 TYR 16 HB1 TYR 16 -5.792 -8.086 -3.414 117 HD1 TYR 16 HD1 TYR 16 -6.104 -10.852 -4.060 118 HD2 TYR 16 HD2 TYR 16 -8.239 -7.537 -5.647 119 HE1 TYR 16 HE1 TYR 16 -6.565 -12.137 -6.095 120 HE2 TYR 16 HE2 TYR 16 -8.718 -8.820 -7.689 121 HH TYR 16 HH TYR 16 -7.700 -10.745 -8.923 122 H CYS 17 HN CYS 17 -8.240 -8.024 -0.088 123 HA CYS 17 HA CYS 17 -6.128 -6.516 0.948 124 HB2 CYS 17 HB2 CYS 17 -8.446 -6.224 1.650 125 HB3 CYS 17 HB1 CYS 17 -8.440 -7.809 2.420 126 HG CYS 17 HG CYS 17 -8.249 -6.363 4.587 127 H LEU 18 HN LEU 18 -7.348 -9.680 2.191 128 HA LEU 18 HA LEU 18 -5.023 -10.072 3.737 129 HB2 LEU 18 HB2 LEU 18 -5.862 -12.356 4.267 130 HB3 LEU 18 HB1 LEU 18 -6.963 -11.072 4.649 131 HG LEU 18 HG LEU 18 -8.126 -13.018 3.923 132 HD11 LEU 18 HD11 LEU 18 -9.179 -10.931 3.372 133 HD12 LEU 18 HD12 LEU 18 -9.583 -12.192 2.216 134 HD13 LEU 18 HD13 LEU 18 -8.419 -10.950 1.774 135 HD21 LEU 18 HD21 LEU 18 -7.991 -13.930 1.630 136 HD22 LEU 18 HD22 LEU 18 -6.494 -14.123 2.541 137 HD23 LEU 18 HD23 LEU 18 -6.624 -12.859 1.318 138 H ARG 19 HN ARG 19 -5.713 -10.811 0.533 139 HA ARG 19 HA ARG 19 -3.791 -12.850 0.119 140 HB2 ARG 19 HB2 ARG 19 -5.562 -12.434 -1.512 141 HB3 ARG 19 HB1 ARG 19 -4.945 -10.816 -1.791 142 HG2 ARG 19 HG2 ARG 19 -4.355 -12.216 -3.627 143 HG3 ARG 19 HG1 ARG 19 -2.887 -11.784 -2.757 144 HD2 ARG 19 HD2 ARG 19 -4.365 -14.423 -2.513 145 HD3 ARG 19 HD1 ARG 19 -2.910 -14.164 -3.467 146 HE ARG 19 HE ARG 19 -2.109 -13.412 -1.021 147 HH11 ARG 19 HH11 ARG 19 -3.682 -16.361 -2.187 148 HH12 ARG 19 HH12 ARG 19 -3.138 -17.328 -0.909 149 HH21 ARG 19 HH21 ARG 19 -1.358 -14.783 0.774 150 HH22 ARG 19 HH22 ARG 19 -1.804 -16.433 0.778 151 H LEU 20 HN LEU 20 -3.734 -9.356 -0.152 152 HA LEU 20 HA LEU 20 -1.046 -9.157 -0.964 153 HB2 LEU 20 HB2 LEU 20 -2.635 -7.464 -1.511 154 HB3 LEU 20 HB1 LEU 20 -3.043 -7.226 0.172 155 HG LEU 20 HG LEU 20 -0.829 -6.353 0.567 156 HD11 LEU 20 HD11 LEU 20 0.578 -5.659 -1.370 157 HD12 LEU 20 HD12 LEU 20 -0.507 -6.546 -2.438 158 HD13 LEU 20 HD13 LEU 20 0.437 -7.407 -1.222 159 HD21 LEU 20 HD21 LEU 20 -2.672 -4.863 0.149 160 HD22 LEU 20 HD22 LEU 20 -2.367 -4.942 -1.593 161 HD23 LEU 20 HD23 LEU 20 -1.175 -4.211 -0.513 162 H LYS 21 HN LYS 21 -2.701 -9.095 2.140 163 HA LYS 21 HA LYS 21 -0.705 -8.080 3.806 164 HB2 LYS 21 HB2 LYS 21 -2.683 -10.248 4.464 165 HB3 LYS 21 HB1 LYS 21 -1.733 -9.351 5.634 166 HG2 LYS 21 HG2 LYS 21 -3.816 -8.236 3.793 167 HG3 LYS 21 HG1 LYS 21 -3.982 -8.509 5.528 168 HD2 LYS 21 HD2 LYS 21 -2.162 -6.891 5.911 169 HD3 LYS 21 HD1 LYS 21 -2.089 -6.599 4.169 170 HE2 LYS 21 HE2 LYS 21 -3.406 -4.898 5.286 171 HE3 LYS 21 HE1 LYS 21 -4.399 -5.862 4.189 172 HZ1 LYS 21 HZ1 LYS 21 -5.376 -5.390 6.402 173 HZ2 LYS 21 HZ2 LYS 21 -4.197 -6.343 7.099 174 HZ3 LYS 21 HZ3 LYS 21 -5.314 -7.049 6.050 175 H THR 22 HN THR 22 -1.277 -11.421 2.900 176 HA THR 22 HA THR 22 0.834 -12.443 4.434 177 HB THR 22 HB THR 22 0.491 -14.449 2.793 178 HG1 THR 22 HG1 THR 22 -1.984 -13.160 2.339 179 HG21 THR 22 HG21 THR 22 -0.343 -14.377 5.108 180 HG22 THR 22 HG22 THR 22 -1.532 -15.113 4.034 181 HG23 THR 22 HG23 THR 22 -1.742 -13.447 4.576 182 H ALA 23 HN ALA 23 0.647 -11.249 1.152 183 HA ALA 23 HA ALA 23 3.159 -12.180 0.255 184 HB1 ALA 23 HB1 ALA 23 1.591 -9.755 -0.641 185 HB2 ALA 23 HB2 ALA 23 1.404 -11.391 -1.271 186 HB3 ALA 23 HB3 ALA 23 2.914 -10.516 -1.528 187 H LEU 24 HN LEU 24 2.114 -9.162 1.777 188 HA LEU 24 HA LEU 24 4.749 -8.014 1.730 189 HB2 LEU 24 HB2 LEU 24 2.405 -7.213 3.440 190 HB3 LEU 24 HB1 LEU 24 3.849 -6.275 3.207 191 HG LEU 24 HG LEU 24 1.644 -6.793 1.229 192 HD11 LEU 24 HD11 LEU 24 1.185 -5.070 2.883 193 HD12 LEU 24 HD12 LEU 24 1.494 -4.283 1.315 194 HD13 LEU 24 HD13 LEU 24 2.732 -4.321 2.545 195 HD21 LEU 24 HD21 LEU 24 3.693 -6.821 -0.082 196 HD22 LEU 24 HD22 LEU 24 4.265 -5.372 0.758 197 HD23 LEU 24 HD23 LEU 24 2.872 -5.281 -0.299 198 H THR 25 HN THR 25 2.865 -9.689 4.185 199 HA THR 25 HA THR 25 4.722 -9.227 6.227 200 HB THR 25 HB THR 25 2.645 -11.425 5.989 201 HG1 THR 25 HG1 THR 25 1.489 -9.629 6.017 202 HG21 THR 25 HG21 THR 25 4.312 -11.879 7.770 203 HG22 THR 25 HG22 THR 25 2.735 -11.484 8.453 204 HG23 THR 25 HG23 THR 25 4.020 -10.276 8.442 205 H ALA 26 HN ALA 26 4.507 -11.838 3.828 206 HA ALA 26 HA ALA 26 6.517 -13.497 4.879 207 HB1 ALA 26 HB1 ALA 26 5.024 -14.206 3.067 208 HB2 ALA 26 HB2 ALA 26 6.714 -14.373 2.579 209 HB3 ALA 26 HB3 ALA 26 5.757 -13.016 1.992 210 H ASN 27 HN ASN 27 6.627 -10.664 2.864 211 HA ASN 27 HA ASN 27 9.509 -10.815 2.606 212 HB2 ASN 27 HB2 ASN 27 7.465 -8.958 1.422 213 HB3 ASN 27 HB1 ASN 27 9.187 -8.602 1.342 214 HD21 ASN 27 HD21 ASN 27 6.629 -10.704 0.217 215 HD22 ASN 27 HD22 ASN 27 7.559 -11.475 -1.005 216 H ARG 28 HN ARG 28 7.595 -9.951 5.006 217 HA ARG 28 HA ARG 28 7.819 -8.774 6.916 218 HB2 ARG 28 HB2 ARG 28 10.675 -8.957 6.011 219 HB3 ARG 28 HB1 ARG 28 10.237 -8.196 7.537 220 HG2 ARG 28 HG2 ARG 28 9.821 -10.154 8.539 221 HG3 ARG 28 HG1 ARG 28 9.026 -10.820 7.113 222 HD2 ARG 28 HD2 ARG 28 11.995 -10.477 7.304 223 HD3 ARG 28 HD1 ARG 28 11.171 -11.935 7.850 224 HE ARG 28 HE ARG 28 10.225 -11.912 5.451 225 HH11 ARG 28 HH11 ARG 28 13.493 -10.827 6.261 226 HH12 ARG 28 HH12 ARG 28 14.165 -11.389 4.800 227 HH21 ARG 28 HH21 ARG 28 11.169 -12.661 3.439 228 HH22 ARG 28 HH22 ARG 28 12.839 -12.458 3.195 229 H ILE 29 HN ILE 29 7.115 -7.381 4.597 230 HA ILE 29 HA ILE 29 8.411 -4.841 4.549 231 HB ILE 29 HB ILE 29 5.779 -5.742 3.342 232 HG12 ILE 29 HG12 ILE 29 8.463 -5.367 2.005 233 HG13 ILE 29 HG11 ILE 29 7.855 -6.927 2.559 234 HG21 ILE 29 HG21 ILE 29 7.412 -3.261 2.761 235 HG22 ILE 29 HG22 ILE 29 5.885 -3.293 3.626 236 HG23 ILE 29 HG23 ILE 29 5.937 -3.742 1.915 237 HD11 ILE 29 HD11 ILE 29 7.578 -6.666 0.216 238 HD12 ILE 29 HD12 ILE 29 6.705 -5.145 0.433 239 HD13 ILE 29 HD13 ILE 29 5.993 -6.668 0.981 240 H ALA 30 HN ALA 30 7.818 -3.029 5.539 241 HA ALA 30 HA ALA 30 5.902 -3.229 7.711 242 HB1 ALA 30 HB1 ALA 30 7.902 -1.140 6.935 243 HB2 ALA 30 HB2 ALA 30 8.092 -2.350 8.215 244 HB3 ALA 30 HB3 ALA 30 6.879 -1.069 8.367 245 H TYR 31 HN TYR 31 3.907 -2.512 7.391 246 HA TYR 31 HA TYR 31 3.467 -0.304 5.531 247 HB2 TYR 31 HB2 TYR 31 1.384 -1.470 4.776 248 HB3 TYR 31 HB1 TYR 31 2.870 -2.261 4.253 249 HD1 TYR 31 HD1 TYR 31 3.501 -4.412 5.244 250 HD2 TYR 31 HD2 TYR 31 -0.144 -2.515 6.289 251 HE1 TYR 31 HE1 TYR 31 2.673 -6.535 6.186 252 HE2 TYR 31 HE2 TYR 31 -0.990 -4.624 7.235 253 HH TYR 31 HH TYR 31 1.015 -7.212 7.890 254 H ASP 32 HN ASP 32 1.333 0.705 5.935 255 HA ASP 32 HA ASP 32 0.398 0.235 8.674 256 HB2 ASP 32 HB2 ASP 32 1.820 2.299 8.547 257 HB3 ASP 32 HB1 ASP 32 0.689 2.949 7.369 258 H GLU 33 HN GLU 33 -1.800 0.216 8.899 259 HA GLU 33 HA GLU 33 -3.353 0.459 6.391 260 HB2 GLU 33 HB2 GLU 33 -3.830 -1.198 8.838 261 HB3 GLU 33 HB1 GLU 33 -4.942 -1.062 7.491 262 HG2 GLU 33 HG2 GLU 33 -3.277 -2.094 6.047 263 HG3 GLU 33 HG1 GLU 33 -2.176 -2.219 7.426 264 H VAL 34 HN VAL 34 -5.133 1.719 6.399 265 HA VAL 34 HA VAL 34 -6.368 2.378 8.911 266 HB VAL 34 HB VAL 34 -4.919 4.348 8.311 267 HG11 VAL 34 HG11 VAL 34 -4.927 4.184 5.903 268 HG12 VAL 34 HG12 VAL 34 -5.461 5.778 6.435 269 HG13 VAL 34 HG13 VAL 34 -6.645 4.604 5.875 270 HG21 VAL 34 HG21 VAL 34 -7.873 4.876 8.155 271 HG22 VAL 34 HG22 VAL 34 -6.639 6.087 8.489 272 HG23 VAL 34 HG23 VAL 34 -6.898 4.758 9.625 273 H ASP 35 HN ASP 35 -8.661 2.359 8.701 274 HA ASP 35 HA ASP 35 -9.486 1.095 6.249 275 HB2 ASP 35 HB2 ASP 35 -11.639 0.682 7.208 276 HB3 ASP 35 HB1 ASP 35 -10.463 0.397 8.477 277 H ILE 36 HN ILE 36 -10.858 1.781 4.761 278 HA ILE 36 HA ILE 36 -10.837 4.620 4.349 279 HB ILE 36 HB ILE 36 -11.688 4.128 2.115 280 HG12 ILE 36 HG12 ILE 36 -11.649 1.240 2.996 281 HG13 ILE 36 HG11 ILE 36 -13.126 2.179 2.777 282 HG21 ILE 36 HG21 ILE 36 -9.319 4.055 2.413 283 HG22 ILE 36 HG22 ILE 36 -9.745 2.619 1.449 284 HG23 ILE 36 HG23 ILE 36 -9.416 2.468 3.161 285 HD11 ILE 36 HD11 ILE 36 -12.716 0.729 0.887 286 HD12 ILE 36 HD12 ILE 36 -11.120 1.444 0.651 287 HD13 ILE 36 HD13 ILE 36 -12.574 2.420 0.397 288 H GLU 37 HN GLU 37 -13.023 2.627 5.901 289 HA GLU 37 HA GLU 37 -15.277 3.936 4.734 290 HB2 GLU 37 HB2 GLU 37 -16.660 2.518 6.310 291 HB3 GLU 37 HB1 GLU 37 -15.729 1.682 5.084 292 HG2 GLU 37 HG2 GLU 37 -14.057 1.095 6.756 293 HG3 GLU 37 HG1 GLU 37 -14.986 1.945 7.990 294 H HIS 38 HN HIS 38 -13.496 4.136 7.721 295 HA HIS 38 HA HIS 38 -15.352 6.124 8.741 296 HB2 HIS 38 HB2 HIS 38 -12.733 5.054 9.814 297 HB3 HIS 38 HB1 HIS 38 -13.592 6.382 10.577 298 HD1 HIS 38 HD1 HIS 38 -13.911 4.895 12.743 299 HD2 HIS 38 HD2 HIS 38 -15.732 3.421 9.309 300 HE1 HIS 38 HE1 HIS 38 -15.462 3.073 13.509 301 H ASN 39 HN ASN 39 -12.876 6.105 6.568 302 HA ASN 39 HA ASN 39 -12.278 8.952 7.036 303 HB2 ASN 39 HB2 ASN 39 -10.535 6.832 5.794 304 HB3 ASN 39 HB1 ASN 39 -10.138 8.538 5.746 305 HD21 ASN 39 HD21 ASN 39 -10.122 5.661 7.549 306 HD22 ASN 39 HD22 ASN 39 -9.395 6.287 8.965 307 H ARG 40 HN ARG 40 -13.709 9.958 5.753 308 HA ARG 40 HA ARG 40 -14.644 8.879 3.310 309 HB2 ARG 40 HB2 ARG 40 -16.024 10.442 4.573 310 HB3 ARG 40 HB1 ARG 40 -14.853 11.722 4.300 311 HG2 ARG 40 HG2 ARG 40 -15.273 11.648 1.914 312 HG3 ARG 40 HG1 ARG 40 -16.399 10.312 2.129 313 HD2 ARG 40 HD2 ARG 40 -16.728 13.091 3.265 314 HD3 ARG 40 HD1 ARG 40 -17.552 12.452 1.848 315 HE ARG 40 HE ARG 40 -18.106 10.668 3.787 316 HH11 ARG 40 HH11 ARG 40 -18.539 14.168 3.541 317 HH12 ARG 40 HH12 ARG 40 -19.963 14.216 4.473 318 HH21 ARG 40 HH21 ARG 40 -20.063 10.725 5.108 319 HH22 ARG 40 HH22 ARG 40 -20.841 12.191 5.399 320 H ALA 41 HN ALA 41 -12.337 11.521 3.913 321 HA ALA 41 HA ALA 41 -11.896 12.021 1.166 322 HB1 ALA 41 HB1 ALA 41 -10.015 12.624 3.459 323 HB2 ALA 41 HB2 ALA 41 -11.341 13.658 2.936 324 HB3 ALA 41 HB3 ALA 41 -9.987 13.351 1.853 325 H ALA 42 HN ALA 42 -10.434 9.796 3.410 326 HA ALA 42 HA ALA 42 -8.369 8.983 1.647 327 HB1 ALA 42 HB1 ALA 42 -8.027 7.083 3.089 328 HB2 ALA 42 HB2 ALA 42 -9.570 7.353 3.900 329 HB3 ALA 42 HB3 ALA 42 -8.263 8.518 4.083 330 H ALA 43 HN ALA 43 -11.638 7.726 2.285 331 HA ALA 43 HA ALA 43 -11.582 5.549 0.498 332 HB1 ALA 43 HB1 ALA 43 -13.363 5.872 2.163 333 HB2 ALA 43 HB2 ALA 43 -14.023 5.666 0.540 334 HB3 ALA 43 HB3 ALA 43 -13.941 7.274 1.264 335 H GLU 44 HN GLU 44 -12.440 8.893 0.080 336 HA GLU 44 HA GLU 44 -13.204 8.925 -2.596 337 HB2 GLU 44 HB2 GLU 44 -13.473 10.813 -1.080 338 HB3 GLU 44 HB1 GLU 44 -11.734 10.964 -0.932 339 HG2 GLU 44 HG2 GLU 44 -11.584 11.556 -3.282 340 HG3 GLU 44 HG1 GLU 44 -13.341 11.432 -3.416 341 H PHE 45 HN PHE 45 -10.061 9.440 -1.106 342 HA PHE 45 HA PHE 45 -8.516 9.849 -3.372 343 HB2 PHE 45 HB2 PHE 45 -7.732 10.394 -1.139 344 HB3 PHE 45 HB1 PHE 45 -7.763 8.697 -0.686 345 HD1 PHE 45 HD2 PHE 45 -6.149 11.115 -2.970 346 HD2 PHE 45 HD1 PHE 45 -5.882 7.361 -0.991 347 HE1 PHE 45 HE2 PHE 45 -3.808 10.918 -3.682 348 HE2 PHE 45 HE1 PHE 45 -3.543 7.159 -1.699 349 HZ PHE 45 HZ PHE 45 -2.501 8.931 -3.045 350 H VAL 46 HN VAL 46 -8.878 6.846 -1.493 351 HA VAL 46 HA VAL 46 -7.399 5.300 -3.335 352 HB VAL 46 HB VAL 46 -7.547 4.488 -1.055 353 HG11 VAL 46 HG11 VAL 46 -9.686 5.332 -0.461 354 HG12 VAL 46 HG12 VAL 46 -9.554 3.571 -0.188 355 HG13 VAL 46 HG13 VAL 46 -10.457 4.185 -1.587 356 HG21 VAL 46 HG21 VAL 46 -7.399 2.842 -2.859 357 HG22 VAL 46 HG22 VAL 46 -9.156 2.599 -2.697 358 HG23 VAL 46 HG23 VAL 46 -8.077 2.223 -1.349 359 H GLY 47 HN GLY 47 -10.830 5.983 -3.138 360 HA2 GLY 47 HA2 GLY 47 -11.616 4.098 -5.090 361 HA3 GLY 47 HA1 GLY 47 -12.516 5.555 -4.651 362 H SER 48 HN SER 48 -10.412 7.347 -5.283 363 HA SER 48 HA SER 48 -10.883 7.784 -8.016 364 HB2 SER 48 HB2 SER 48 -10.388 9.544 -6.300 365 HB3 SER 48 HB1 SER 48 -8.733 8.957 -6.225 366 HG SER 48 HG SER 48 -10.060 10.038 -8.469 367 H VAL 49 HN VAL 49 -8.104 6.479 -6.225 368 HA VAL 49 HA VAL 49 -6.630 6.020 -8.705 369 HB VAL 49 HB VAL 49 -4.745 5.353 -7.230 370 HG11 VAL 49 HG11 VAL 49 -6.055 7.960 -6.531 371 HG12 VAL 49 HG12 VAL 49 -4.985 7.667 -7.913 372 HG13 VAL 49 HG13 VAL 49 -4.353 7.572 -6.258 373 HG21 VAL 49 HG21 VAL 49 -6.122 4.487 -5.369 374 HG22 VAL 49 HG22 VAL 49 -6.570 6.152 -4.978 375 HG23 VAL 49 HG23 VAL 49 -4.891 5.637 -4.832 376 H ASN 50 HN ASN 50 -9.004 4.436 -7.522 377 HA ASN 50 HA ASN 50 -7.811 1.802 -7.422 378 HB2 ASN 50 HB2 ASN 50 -10.198 2.941 -6.364 379 HB3 ASN 50 HB1 ASN 50 -10.683 1.674 -7.483 380 HD21 ASN 50 HD21 ASN 50 -7.812 1.815 -5.475 381 HD22 ASN 50 HD22 ASN 50 -8.203 0.418 -4.549 382 H GLY 51 HN GLY 51 -9.625 0.219 -8.658 383 HA2 GLY 51 HA2 GLY 51 -9.350 0.975 -11.446 384 HA3 GLY 51 HA1 GLY 51 -9.817 -0.611 -10.828 385 H GLY 52 HN GLY 52 -10.964 2.731 -10.856 386 HA2 GLY 52 HA2 GLY 52 -12.984 3.571 -11.599 387 HA3 GLY 52 HA1 GLY 52 -13.480 1.936 -12.004 388 H ASN 53 HN ASN 53 -13.216 0.739 -9.571 389 HA ASN 53 HA ASN 53 -15.295 2.082 -7.970 390 HB2 ASN 53 HB2 ASN 53 -14.874 -0.893 -8.422 391 HB3 ASN 53 HB1 ASN 53 -16.094 -0.197 -7.371 392 HD21 ASN 53 HD21 ASN 53 -15.166 -0.875 -10.652 393 HD22 ASN 53 HD22 ASN 53 -16.677 -0.450 -11.361 394 H ARG 54 HN ARG 54 -14.935 2.065 -5.729 395 HA ARG 54 HA ARG 54 -12.261 1.320 -4.958 396 HB2 ARG 54 HB2 ARG 54 -12.695 2.196 -2.668 397 HB3 ARG 54 HB1 ARG 54 -13.071 3.379 -3.887 398 HG2 ARG 54 HG2 ARG 54 -15.156 1.732 -2.449 399 HG3 ARG 54 HG1 ARG 54 -14.602 3.308 -1.901 400 HD2 ARG 54 HD2 ARG 54 -15.332 4.206 -4.159 401 HD3 ARG 54 HD1 ARG 54 -16.067 2.626 -4.430 402 HE ARG 54 HE ARG 54 -16.922 3.688 -1.971 403 HH11 ARG 54 HH11 ARG 54 -17.550 3.903 -5.453 404 HH12 ARG 54 HH12 ARG 54 -19.042 4.696 -5.303 405 HH21 ARG 54 HH21 ARG 54 -18.990 4.821 -1.749 406 HH22 ARG 54 HH22 ARG 54 -19.885 5.225 -3.129 407 H THR 55 HN THR 55 -11.918 -0.667 -5.010 408 HA THR 55 HA THR 55 -13.514 -2.453 -3.320 409 HB THR 55 HB THR 55 -14.500 -2.595 -5.539 410 HG1 THR 55 HG1 THR 55 -14.530 -4.714 -5.666 411 HG21 THR 55 HG21 THR 55 -13.215 -3.377 -7.496 412 HG22 THR 55 HG22 THR 55 -11.739 -3.319 -6.528 413 HG23 THR 55 HG23 THR 55 -12.608 -1.837 -6.882 414 H VAL 56 HN VAL 56 -10.410 -1.525 -4.563 415 HA VAL 56 HA VAL 56 -9.297 -3.945 -3.406 416 HB VAL 56 HB VAL 56 -7.375 -3.740 -5.036 417 HG11 VAL 56 HG11 VAL 56 -8.587 -4.950 -6.810 418 HG12 VAL 56 HG12 VAL 56 -10.114 -4.492 -6.046 419 HG13 VAL 56 HG13 VAL 56 -8.970 -5.528 -5.193 420 HG21 VAL 56 HG21 VAL 56 -7.875 -2.719 -7.210 421 HG22 VAL 56 HG22 VAL 56 -7.823 -1.524 -5.913 422 HG23 VAL 56 HG23 VAL 56 -9.375 -2.070 -6.551 423 HA PRO 57 HA PRO 57 -6.710 -1.622 -0.736 424 HB2 PRO 57 HB2 PRO 57 -4.463 -3.257 -0.914 425 HB3 PRO 57 HB1 PRO 57 -5.819 -3.537 0.179 426 HG2 PRO 57 HG2 PRO 57 -5.268 -4.738 -2.502 427 HG3 PRO 57 HG1 PRO 57 -5.908 -5.510 -1.040 428 HD2 PRO 57 HD2 PRO 57 -7.503 -4.850 -3.051 429 HD3 PRO 57 HD1 PRO 57 -8.038 -4.621 -1.369 430 H THR 58 HN THR 58 -5.535 0.092 -1.115 431 HA THR 58 HA THR 58 -3.744 0.112 -3.440 432 HB THR 58 HB THR 58 -5.266 2.481 -2.326 433 HG1 THR 58 HG1 THR 58 -6.367 0.567 -3.378 434 HG21 THR 58 HG21 THR 58 -3.182 2.964 -3.650 435 HG22 THR 58 HG22 THR 58 -4.670 3.550 -4.385 436 HG23 THR 58 HG23 THR 58 -3.918 2.087 -5.010 437 H VAL 59 HN VAL 59 -1.721 0.919 -3.026 438 HA VAL 59 HA VAL 59 -1.205 1.628 -0.248 439 HB VAL 59 HB VAL 59 1.186 1.078 -0.721 440 HG11 VAL 59 HG11 VAL 59 -0.242 -0.532 0.339 441 HG12 VAL 59 HG12 VAL 59 0.856 -1.359 -0.778 442 HG13 VAL 59 HG13 VAL 59 -0.838 -1.074 -1.233 443 HG21 VAL 59 HG21 VAL 59 1.728 -0.241 -2.704 444 HG22 VAL 59 HG22 VAL 59 1.167 1.381 -3.129 445 HG23 VAL 59 HG23 VAL 59 0.082 -0.006 -3.302 446 H LYS 60 HN LYS 60 -0.651 3.541 0.242 447 HA LYS 60 HA LYS 60 0.227 5.417 -1.856 448 HB2 LYS 60 HB2 LYS 60 -1.786 6.011 -0.443 449 HB3 LYS 60 HB1 LYS 60 -0.715 6.042 0.951 450 HG2 LYS 60 HG2 LYS 60 0.627 7.804 -0.204 451 HG3 LYS 60 HG1 LYS 60 -0.602 7.849 -1.464 452 HD2 LYS 60 HD2 LYS 60 -1.131 9.624 -0.002 453 HD3 LYS 60 HD1 LYS 60 -2.272 8.344 0.399 454 HE2 LYS 60 HE2 LYS 60 -0.748 7.674 2.278 455 HE3 LYS 60 HE1 LYS 60 0.245 9.074 1.861 456 HZ1 LYS 60 HZ1 LYS 60 -1.250 9.626 3.694 457 HZ2 LYS 60 HZ2 LYS 60 -2.573 9.140 2.788 458 HZ3 LYS 60 HZ3 LYS 60 -1.716 10.497 2.321 459 H PHE 61 HN PHE 61 2.359 5.560 -1.872 460 HA PHE 61 HA PHE 61 3.885 4.752 0.449 461 HB2 PHE 61 HB2 PHE 61 4.743 5.706 -2.270 462 HB3 PHE 61 HB1 PHE 61 5.849 5.264 -0.978 463 HD1 PHE 61 HD1 PHE 61 3.280 4.023 -3.274 464 HD2 PHE 61 HD2 PHE 61 6.347 2.944 -0.500 465 HE1 PHE 61 HE1 PHE 61 3.216 1.729 -4.069 466 HE2 PHE 61 HE2 PHE 61 6.276 0.671 -1.311 467 HZ PHE 61 HZ PHE 61 4.725 0.049 -3.092 468 H ALA 62 HN ALA 62 5.633 6.048 1.237 469 HA ALA 62 HA ALA 62 4.779 8.525 2.141 470 HB1 ALA 62 HB1 ALA 62 6.943 8.746 3.154 471 HB2 ALA 62 HB2 ALA 62 7.591 7.480 2.113 472 HB3 ALA 62 HB3 ALA 62 6.366 7.088 3.319 473 H ASP 63 HN ASP 63 6.307 7.786 -0.861 474 HA ASP 63 HA ASP 63 7.357 10.469 -1.206 475 HB2 ASP 63 HB2 ASP 63 8.138 9.789 -3.371 476 HB3 ASP 63 HB1 ASP 63 8.439 8.439 -2.287 477 H GLY 64 HN GLY 64 4.362 9.082 -1.337 478 HA2 GLY 64 HA2 GLY 64 2.421 10.322 -1.632 479 HA3 GLY 64 HA1 GLY 64 3.308 11.455 -2.641 480 H SER 65 HN SER 65 3.708 8.100 -3.417 481 HA SER 65 HA SER 65 1.822 8.510 -5.612 482 HB2 SER 65 HB2 SER 65 3.193 6.749 -6.806 483 HB3 SER 65 HB1 SER 65 3.988 8.302 -6.541 484 HG SER 65 HG SER 65 5.247 7.432 -5.036 485 H THR 66 HN THR 66 0.590 6.700 -6.351 486 HA THR 66 HA THR 66 0.112 4.732 -4.254 487 HB THR 66 HB THR 66 -2.227 4.802 -5.458 488 HG1 THR 66 HG1 THR 66 -2.122 6.324 -6.913 489 HG21 THR 66 HG21 THR 66 -1.295 6.833 -3.428 490 HG22 THR 66 HG22 THR 66 -1.905 5.205 -3.095 491 HG23 THR 66 HG23 THR 66 -2.977 6.428 -3.762 492 H LEU 67 HN LEU 67 -0.123 2.664 -4.876 493 HA LEU 67 HA LEU 67 -0.342 2.109 -7.744 494 HB2 LEU 67 HB2 LEU 67 1.261 0.446 -5.760 495 HB3 LEU 67 HB1 LEU 67 0.943 0.007 -7.415 496 HG LEU 67 HG LEU 67 2.685 2.294 -6.475 497 HD11 LEU 67 HD11 LEU 67 3.389 -0.281 -7.879 498 HD12 LEU 67 HD12 LEU 67 3.646 0.023 -6.174 499 HD13 LEU 67 HD13 LEU 67 4.520 0.974 -7.378 500 HD21 LEU 67 HD21 LEU 67 1.577 2.886 -8.573 501 HD22 LEU 67 HD22 LEU 67 2.059 1.346 -9.277 502 HD23 LEU 67 HD23 LEU 67 3.285 2.542 -8.853 503 H THR 68 HN THR 68 -2.133 1.053 -8.208 504 HA THR 68 HA THR 68 -3.955 0.089 -6.293 505 HB THR 68 HB THR 68 -3.773 -0.722 -9.207 506 HG1 THR 68 HG1 THR 68 -4.855 1.759 -8.192 507 HG21 THR 68 HG21 THR 68 -5.571 -1.723 -7.847 508 HG22 THR 68 HG22 THR 68 -6.226 -0.635 -9.073 509 HG23 THR 68 HG23 THR 68 -6.124 -0.110 -7.393 510 H ASN 69 HN ASN 69 -4.357 -2.140 -5.725 511 HA ASN 69 HA ASN 69 -2.928 -3.829 -4.631 512 HB2 ASN 69 HB2 ASN 69 -5.111 -4.557 -5.233 513 HB3 ASN 69 HB1 ASN 69 -4.651 -4.811 -6.914 514 HD21 ASN 69 HD21 ASN 69 -5.227 -6.943 -6.966 515 HD22 ASN 69 HD22 ASN 69 -4.389 -8.178 -6.100 516 HA PRO 70 HA PRO 70 0.682 -4.682 -7.347 517 HB2 PRO 70 HB2 PRO 70 2.445 -3.570 -5.601 518 HB3 PRO 70 HB1 PRO 70 1.617 -2.670 -6.871 519 HG2 PRO 70 HG2 PRO 70 1.308 -2.366 -4.036 520 HG3 PRO 70 HG1 PRO 70 0.449 -1.505 -5.321 521 HD2 PRO 70 HD2 PRO 70 -0.411 -3.860 -3.722 522 HD3 PRO 70 HD1 PRO 70 -1.372 -2.587 -4.514 523 H SER 71 HN SER 71 2.423 -6.027 -7.112 524 HA SER 71 HA SER 71 2.122 -8.016 -5.049 525 HB2 SER 71 HB2 SER 71 2.765 -8.604 -7.417 526 HB3 SER 71 HB1 SER 71 4.295 -7.763 -7.172 527 HG SER 71 HG SER 71 5.025 -9.571 -6.273 528 H ALA 72 HN ALA 72 3.936 -8.599 -3.677 529 HA ALA 72 HA ALA 72 4.932 -6.481 -2.130 530 HB1 ALA 72 HB1 ALA 72 4.681 -8.739 -1.276 531 HB2 ALA 72 HB2 ALA 72 6.338 -8.174 -1.057 532 HB3 ALA 72 HB3 ALA 72 5.958 -9.312 -2.354 533 H ASP 73 HN ASP 73 6.294 -8.147 -4.855 534 HA ASP 73 HA ASP 73 8.957 -7.280 -4.761 535 HB2 ASP 73 HB2 ASP 73 7.301 -7.706 -7.246 536 HB3 ASP 73 HB1 ASP 73 9.047 -7.870 -7.078 537 H GLU 74 HN GLU 74 6.087 -5.845 -6.217 538 HA GLU 74 HA GLU 74 7.397 -3.714 -7.553 539 HB2 GLU 74 HB2 GLU 74 4.519 -4.014 -6.706 540 HB3 GLU 74 HB1 GLU 74 5.127 -2.816 -7.837 541 HG2 GLU 74 HG2 GLU 74 5.761 -4.552 -9.388 542 HG3 GLU 74 HG1 GLU 74 5.275 -5.791 -8.233 543 H VAL 75 HN VAL 75 5.639 -3.989 -4.527 544 HA VAL 75 HA VAL 75 5.940 -1.254 -3.931 545 HB VAL 75 HB VAL 75 5.165 -1.868 -1.562 546 HG11 VAL 75 HG11 VAL 75 2.915 -2.396 -2.233 547 HG12 VAL 75 HG12 VAL 75 3.483 -3.067 -3.745 548 HG13 VAL 75 HG13 VAL 75 3.552 -1.329 -3.495 549 HG21 VAL 75 HG21 VAL 75 6.073 -4.185 -1.625 550 HG22 VAL 75 HG22 VAL 75 4.796 -4.534 -2.823 551 HG23 VAL 75 HG23 VAL 75 4.356 -4.078 -1.189 552 H LYS 76 HN LYS 76 7.888 -4.072 -3.118 553 HA LYS 76 HA LYS 76 9.690 -2.866 -1.312 554 HB2 LYS 76 HB2 LYS 76 10.070 -5.121 -3.288 555 HB3 LYS 76 HB1 LYS 76 11.325 -4.613 -2.171 556 HG2 LYS 76 HG2 LYS 76 10.057 -5.299 -0.290 557 HG3 LYS 76 HG1 LYS 76 8.601 -5.483 -1.268 558 HD2 LYS 76 HD2 LYS 76 9.553 -7.668 -0.741 559 HD3 LYS 76 HD1 LYS 76 9.648 -7.353 -2.468 560 HE2 LYS 76 HE2 LYS 76 12.011 -6.707 -2.195 561 HE3 LYS 76 HE1 LYS 76 11.888 -7.079 -0.474 562 HZ1 LYS 76 HZ1 LYS 76 11.461 -9.022 -2.670 563 HZ2 LYS 76 HZ2 LYS 76 11.407 -9.379 -1.032 564 HZ3 LYS 76 HZ3 LYS 76 12.862 -8.892 -1.748 565 H ALA 77 HN ALA 77 9.676 -3.037 -4.824 566 HA ALA 77 HA ALA 77 12.191 -1.992 -5.387 567 HB1 ALA 77 HB1 ALA 77 10.738 -3.037 -7.063 568 HB2 ALA 77 HB2 ALA 77 11.322 -1.462 -7.597 569 HB3 ALA 77 HB3 ALA 77 9.672 -1.634 -7.005 570 H LYS 78 HN LYS 78 9.223 -0.347 -4.613 571 HA LYS 78 HA LYS 78 10.402 2.234 -5.096 572 HB2 LYS 78 HB2 LYS 78 7.720 1.393 -4.095 573 HB3 LYS 78 HB1 LYS 78 8.261 3.066 -3.996 574 HG2 LYS 78 HG2 LYS 78 8.621 3.070 -6.435 575 HG3 LYS 78 HG1 LYS 78 8.002 1.422 -6.500 576 HD2 LYS 78 HD2 LYS 78 6.336 3.135 -7.109 577 HD3 LYS 78 HD1 LYS 78 5.864 2.112 -5.744 578 HE2 LYS 78 HE2 LYS 78 5.300 4.504 -5.408 579 HE3 LYS 78 HE1 LYS 78 6.377 3.877 -4.176 580 HZ1 LYS 78 HZ1 LYS 78 6.993 6.054 -4.876 581 HZ2 LYS 78 HZ2 LYS 78 7.185 5.575 -6.495 582 HZ3 LYS 78 HZ3 LYS 78 8.226 5.001 -5.312 583 H LEU 79 HN LEU 79 9.274 0.424 -2.302 584 HA LEU 79 HA LEU 79 9.660 2.326 -0.350 585 HB2 LEU 79 HB2 LEU 79 8.331 0.335 -0.050 586 HB3 LEU 79 HB1 LEU 79 9.753 -0.672 -0.175 587 HG LEU 79 HG LEU 79 10.595 0.233 1.913 588 HD11 LEU 79 HD11 LEU 79 8.010 1.780 2.026 589 HD12 LEU 79 HD12 LEU 79 9.629 2.453 1.815 590 HD13 LEU 79 HD13 LEU 79 9.207 1.653 3.320 591 HD21 LEU 79 HD21 LEU 79 7.766 -0.783 2.092 592 HD22 LEU 79 HD22 LEU 79 8.942 -0.785 3.407 593 HD23 LEU 79 HD23 LEU 79 9.225 -1.765 1.966 594 H VAL 80 HN VAL 80 11.995 0.037 -1.657 595 HA VAL 80 HA VAL 80 13.966 0.336 0.292 596 HB VAL 80 HB VAL 80 13.977 -1.472 -1.396 597 HG11 VAL 80 HG11 VAL 80 13.325 -0.281 -3.368 598 HG12 VAL 80 HG12 VAL 80 14.850 -1.122 -3.651 599 HG13 VAL 80 HG13 VAL 80 14.842 0.620 -3.368 600 HG21 VAL 80 HG21 VAL 80 16.398 -1.541 -1.866 601 HG22 VAL 80 HG22 VAL 80 16.034 -1.099 -0.205 602 HG23 VAL 80 HG23 VAL 80 16.522 0.146 -1.370 603 H LYS 81 HN LYS 81 13.224 2.365 -2.450 604 HA LYS 81 HA LYS 81 15.620 3.965 -2.192 605 HB2 LYS 81 HB2 LYS 81 13.095 4.447 -3.776 606 HB3 LYS 81 HB1 LYS 81 14.552 5.414 -3.882 607 HG2 LYS 81 HG2 LYS 81 15.775 3.489 -4.751 608 HG3 LYS 81 HG1 LYS 81 14.315 2.506 -4.609 609 HD2 LYS 81 HD2 LYS 81 13.161 4.032 -6.182 610 HD3 LYS 81 HD1 LYS 81 14.641 4.965 -6.313 611 HE2 LYS 81 HE2 LYS 81 14.455 2.047 -7.013 612 HE3 LYS 81 HE1 LYS 81 14.239 3.351 -8.178 613 HZ1 LYS 81 HZ1 LYS 81 16.486 2.517 -8.227 614 HZ2 LYS 81 HZ2 LYS 81 16.716 2.838 -6.583 615 HZ3 LYS 81 HZ3 LYS 81 16.474 4.102 -7.675 616 H ILE 82 HN ILE 82 12.188 4.302 -1.575 617 HA ILE 82 HA ILE 82 11.994 6.948 -0.805 618 HB ILE 82 HB ILE 82 10.415 4.583 0.163 619 HG12 ILE 82 HG12 ILE 82 9.848 6.517 -2.084 620 HG13 ILE 82 HG11 ILE 82 10.487 4.889 -2.285 621 HG21 ILE 82 HG21 ILE 82 10.035 6.526 1.624 622 HG22 ILE 82 HG22 ILE 82 8.606 6.216 0.636 623 HG23 ILE 82 HG23 ILE 82 9.699 7.534 0.214 624 HD11 ILE 82 HD11 ILE 82 8.105 5.005 -2.732 625 HD12 ILE 82 HD12 ILE 82 7.837 5.600 -1.091 626 HD13 ILE 82 HD13 ILE 82 8.454 3.967 -1.348 627 H ALA 83 HN ALA 83 12.634 4.133 1.236 628 HA ALA 83 HA ALA 83 12.545 5.677 3.635 629 HB1 ALA 83 HB1 ALA 83 13.550 2.875 3.227 630 HB2 ALA 83 HB2 ALA 83 11.893 3.344 3.641 631 HB3 ALA 83 HB3 ALA 83 13.207 3.640 4.777 632 H GLY 84 HN GLY 84 14.880 5.596 1.312 633 HA2 GLY 84 HA2 GLY 84 17.026 6.443 1.321 634 HA3 GLY 84 HA1 GLY 84 16.789 6.860 3.015 635 H LEU 85 HN LEU 85 16.855 3.854 1.179 636 HA LEU 85 HA LEU 85 18.851 2.840 3.097 637 HB2 LEU 85 HB2 LEU 85 16.613 1.316 1.777 638 HB3 LEU 85 HB1 LEU 85 17.826 0.634 2.847 639 HG LEU 85 HG LEU 85 15.747 2.671 3.640 640 HD11 LEU 85 HD11 LEU 85 14.691 0.807 4.830 641 HD12 LEU 85 HD12 LEU 85 15.879 -0.299 4.142 642 HD13 LEU 85 HD13 LEU 85 14.736 0.528 3.090 643 HD21 LEU 85 HD21 LEU 85 16.442 2.141 5.921 644 HD22 LEU 85 HD22 LEU 85 17.782 2.801 4.989 645 HD23 LEU 85 HD23 LEU 85 17.692 1.066 5.296 646 H GLU 86 HN GLU 86 18.270 3.657 -0.064 647 HA GLU 86 HA GLU 86 19.893 1.499 -1.191 648 HB2 GLU 86 HB2 GLU 86 17.808 2.069 -2.356 649 HB3 GLU 86 HB1 GLU 86 18.343 3.731 -2.504 650 HG2 GLU 86 HG2 GLU 86 20.172 3.000 -3.971 651 HG3 GLU 86 HG1 GLU 86 19.601 1.337 -3.837 652 H HIS 87 HN HIS 87 19.719 4.995 -1.069 653 HA HIS 87 HA HIS 87 21.160 6.676 -1.222 654 HB2 HIS 87 HB2 HIS 87 23.203 4.624 -0.329 655 HB3 HIS 87 HB1 HIS 87 23.529 6.345 -0.462 656 HD1 HIS 87 HD1 HIS 87 22.943 7.755 1.553 657 HD2 HIS 87 HD2 HIS 87 21.259 3.964 1.693 658 HE1 HIS 87 HE1 HIS 87 21.929 7.525 3.848 659 H HIS 88 HN HIS 88 20.701 6.753 -3.443 660 HA HIS 88 HA HIS 88 23.084 6.580 -5.013 661 HB2 HIS 88 HB2 HIS 88 22.121 4.316 -5.314 662 HB3 HIS 88 HB1 HIS 88 20.593 5.023 -5.809 663 HD1 HIS 88 HD1 HIS 88 20.341 5.490 -8.289 664 HD2 HIS 88 HD2 HIS 88 24.278 4.778 -7.180 665 HE1 HIS 88 HE1 HIS 88 21.655 5.376 -10.425 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 11.470 10.761 6.318 2 H2 MET 1 HT2 MET 1 10.678 11.057 7.787 3 H3 MET 1 HT3 MET 1 11.112 12.333 6.824 4 HA MET 1 HA MET 1 8.771 11.890 6.748 5 HB2 MET 1 HB2 MET 1 8.491 11.825 4.316 6 HB3 MET 1 HB1 MET 1 9.805 12.894 4.766 7 HG2 MET 1 HG2 MET 1 11.422 11.211 4.126 8 HG3 MET 1 HG1 MET 1 10.125 10.076 3.745 9 HE1 MET 1 HE1 MET 1 11.195 9.660 1.378 10 HE2 MET 1 HE2 MET 1 12.500 10.789 1.737 11 HE3 MET 1 HE3 MET 1 11.595 10.937 0.232 12 H VAL 2 HN VAL 2 10.282 9.155 7.453 13 HA VAL 2 HA VAL 2 8.187 7.616 6.220 14 HB VAL 2 HB VAL 2 10.236 7.047 5.067 15 HG11 VAL 2 HG11 VAL 2 11.400 6.264 7.727 16 HG12 VAL 2 HG12 VAL 2 11.905 7.604 6.700 17 HG13 VAL 2 HG13 VAL 2 12.135 5.942 6.156 18 HG21 VAL 2 HG21 VAL 2 10.252 4.593 5.392 19 HG22 VAL 2 HG22 VAL 2 8.623 5.264 5.326 20 HG23 VAL 2 HG23 VAL 2 9.324 4.809 6.878 21 H THR 3 HN THR 3 6.961 8.049 8.064 22 HA THR 3 HA THR 3 7.715 6.430 10.368 23 HB THR 3 HB THR 3 6.817 8.685 10.912 24 HG1 THR 3 HG1 THR 3 4.957 6.663 11.669 25 HG21 THR 3 HG21 THR 3 5.313 9.022 9.009 26 HG22 THR 3 HG22 THR 3 4.435 9.231 10.524 27 HG23 THR 3 HG23 THR 3 4.258 7.741 9.599 28 H ALA 4 HN ALA 4 5.581 6.642 7.674 29 HA ALA 4 HA ALA 4 4.662 3.925 8.170 30 HB1 ALA 4 HB1 ALA 4 2.563 4.612 6.985 31 HB2 ALA 4 HB2 ALA 4 3.134 6.280 7.048 32 HB3 ALA 4 HB3 ALA 4 2.784 5.417 8.540 33 H ALA 5 HN ALA 5 5.845 2.824 6.772 34 HA ALA 5 HA ALA 5 7.202 3.832 4.541 35 HB1 ALA 5 HB1 ALA 5 7.557 1.443 3.965 36 HB2 ALA 5 HB2 ALA 5 6.361 0.997 5.178 37 HB3 ALA 5 HB3 ALA 5 7.858 1.776 5.671 38 H LEU 6 HN LEU 6 4.237 1.950 4.757 39 HA LEU 6 HA LEU 6 3.155 3.370 2.557 40 HB2 LEU 6 HB2 LEU 6 2.461 1.410 1.263 41 HB3 LEU 6 HB1 LEU 6 4.196 1.538 1.325 42 HG LEU 6 HG LEU 6 2.681 -0.371 3.118 43 HD11 LEU 6 HD11 LEU 6 3.253 -2.090 1.445 44 HD12 LEU 6 HD12 LEU 6 3.788 -0.791 0.362 45 HD13 LEU 6 HD13 LEU 6 2.100 -0.895 0.851 46 HD21 LEU 6 HD21 LEU 6 5.527 -0.318 2.107 47 HD22 LEU 6 HD22 LEU 6 4.823 -1.545 3.166 48 HD23 LEU 6 HD23 LEU 6 5.003 0.116 3.734 49 H THR 7 HN THR 7 1.170 3.727 2.799 50 HA THR 7 HA THR 7 -0.180 2.530 5.084 51 HB THR 7 HB THR 7 -0.906 5.003 3.487 52 HG1 THR 7 HG1 THR 7 0.148 5.267 6.046 53 HG21 THR 7 HG21 THR 7 -1.720 4.066 6.246 54 HG22 THR 7 HG22 THR 7 -2.739 4.014 4.807 55 HG23 THR 7 HG23 THR 7 -2.240 5.569 5.479 56 H ILE 8 HN ILE 8 -1.626 1.080 4.644 57 HA ILE 8 HA ILE 8 -2.487 0.572 1.935 58 HB ILE 8 HB ILE 8 -2.697 -0.996 4.506 59 HG12 ILE 8 HG12 ILE 8 -1.304 -1.596 1.906 60 HG13 ILE 8 HG11 ILE 8 -0.509 -1.006 3.371 61 HG21 ILE 8 HG21 ILE 8 -4.721 -1.374 3.415 62 HG22 ILE 8 HG22 ILE 8 -3.719 -2.823 3.267 63 HG23 ILE 8 HG23 ILE 8 -3.932 -1.740 1.876 64 HD11 ILE 8 HD11 ILE 8 -1.171 -3.103 4.488 65 HD12 ILE 8 HD12 ILE 8 -0.171 -3.371 3.055 66 HD13 ILE 8 HD13 ILE 8 -1.908 -3.641 2.976 67 H TYR 9 HN TYR 9 -4.221 1.378 1.149 68 HA TYR 9 HA TYR 9 -6.536 1.959 2.863 69 HB2 TYR 9 HB2 TYR 9 -5.903 2.805 0.031 70 HB3 TYR 9 HB1 TYR 9 -7.374 3.207 0.894 71 HD1 TYR 9 HD1 TYR 9 -6.664 4.290 3.378 72 HD2 TYR 9 HD2 TYR 9 -4.520 4.566 -0.281 73 HE1 TYR 9 HE1 TYR 9 -5.654 6.383 4.141 74 HE2 TYR 9 HE2 TYR 9 -3.497 6.657 0.465 75 HH TYR 9 HH TYR 9 -3.987 8.487 2.056 76 H THR 10 HN THR 10 -7.955 0.332 2.940 77 HA THR 10 HA THR 10 -9.007 -0.716 0.541 78 HB THR 10 HB THR 10 -6.959 -2.125 0.730 79 HG1 THR 10 HG1 THR 10 -8.324 -3.401 -0.223 80 HG21 THR 10 HG21 THR 10 -6.700 -2.056 3.161 81 HG22 THR 10 HG22 THR 10 -6.723 -3.717 2.571 82 HG23 THR 10 HG23 THR 10 -8.153 -3.034 3.344 83 H THR 11 HN THR 11 -10.364 -2.838 1.445 84 HA THR 11 HA THR 11 -11.919 -1.842 3.715 85 HB THR 11 HB THR 11 -13.823 -3.045 2.564 86 HG1 THR 11 HG1 THR 11 -13.063 -2.928 0.080 87 HG21 THR 11 HG21 THR 11 -13.628 -0.593 2.473 88 HG22 THR 11 HG22 THR 11 -14.270 -1.233 0.959 89 HG23 THR 11 HG23 THR 11 -12.578 -0.743 1.063 90 H SER 12 HN SER 12 -13.112 -3.652 4.769 91 HA SER 12 HA SER 12 -11.351 -5.826 5.306 92 HB2 SER 12 HB2 SER 12 -14.164 -5.293 6.220 93 HB3 SER 12 HB1 SER 12 -13.018 -6.404 6.990 94 HG SER 12 HG SER 12 -12.953 -4.513 8.105 95 H TRP 13 HN TRP 13 -13.906 -5.289 3.080 96 HA TRP 13 HA TRP 13 -14.527 -8.115 2.876 97 HB2 TRP 13 HB2 TRP 13 -16.301 -7.360 1.218 98 HB3 TRP 13 HB1 TRP 13 -16.521 -6.854 2.880 99 HD1 TRP 13 HD1 TRP 13 -16.625 -4.273 3.352 100 HE1 TRP 13 HE1 TRP 13 -16.722 -2.190 1.842 101 HE3 TRP 13 HE3 TRP 13 -15.330 -6.430 -1.114 102 HZ2 TRP 13 HZ2 TRP 13 -16.302 -1.543 -0.866 103 HZ3 TRP 13 HZ3 TRP 13 -15.206 -5.000 -3.116 104 HH2 TRP 13 HH2 TRP 13 -15.682 -2.606 -2.991 105 H CYS 14 HN CYS 14 -12.235 -6.249 1.642 106 HA CYS 14 HA CYS 14 -12.299 -7.190 -1.076 107 HB2 CYS 14 HB2 CYS 14 -11.359 -4.977 -0.587 108 HB3 CYS 14 HB1 CYS 14 -10.162 -5.680 0.477 109 HG CYS 14 HG CYS 14 -10.247 -5.326 -2.768 110 H GLY 15 HN GLY 15 -11.339 -9.012 -1.830 111 HA2 GLY 15 HA2 GLY 15 -10.292 -10.942 -0.027 112 HA3 GLY 15 HA1 GLY 15 -10.317 -11.052 -1.785 113 H TYR 16 HN TYR 16 -8.878 -8.907 -2.537 114 HA TYR 16 HA TYR 16 -6.243 -9.805 -2.177 115 HB2 TYR 16 HB2 TYR 16 -7.331 -7.297 -3.386 116 HB3 TYR 16 HB1 TYR 16 -5.599 -7.569 -3.262 117 HD1 TYR 16 HD1 TYR 16 -5.201 -10.330 -3.956 118 HD2 TYR 16 HD2 TYR 16 -7.984 -7.546 -5.583 119 HE1 TYR 16 HE1 TYR 16 -5.207 -11.579 -6.064 120 HE2 TYR 16 HE2 TYR 16 -8.006 -8.786 -7.692 121 HH TYR 16 HH TYR 16 -6.582 -10.324 -8.908 122 H CYS 17 HN CYS 17 -8.110 -7.834 -0.220 123 HA CYS 17 HA CYS 17 -6.229 -6.101 0.916 124 HB2 CYS 17 HB2 CYS 17 -8.473 -5.697 1.368 125 HB3 CYS 17 HB1 CYS 17 -8.782 -7.347 1.904 126 HG CYS 17 HG CYS 17 -8.960 -5.190 3.765 127 H LEU 18 HN LEU 18 -7.417 -9.144 2.240 128 HA LEU 18 HA LEU 18 -5.322 -9.173 4.143 129 HB2 LEU 18 HB2 LEU 18 -6.292 -11.489 4.689 130 HB3 LEU 18 HB1 LEU 18 -7.275 -10.075 4.984 131 HG LEU 18 HG LEU 18 -8.407 -10.569 2.758 132 HD11 LEU 18 HD11 LEU 18 -8.344 -12.847 1.946 133 HD12 LEU 18 HD12 LEU 18 -7.032 -13.211 3.081 134 HD13 LEU 18 HD13 LEU 18 -6.799 -12.008 1.804 135 HD21 LEU 18 HD21 LEU 18 -8.690 -12.537 5.009 136 HD22 LEU 18 HD22 LEU 18 -9.879 -12.248 3.734 137 HD23 LEU 18 HD23 LEU 18 -9.474 -10.963 4.874 138 H ARG 19 HN ARG 19 -5.692 -10.433 1.020 139 HA ARG 19 HA ARG 19 -3.659 -12.399 1.055 140 HB2 ARG 19 HB2 ARG 19 -4.688 -10.673 -1.148 141 HB3 ARG 19 HB1 ARG 19 -3.569 -12.011 -1.396 142 HG2 ARG 19 HG2 ARG 19 -6.400 -12.190 -0.355 143 HG3 ARG 19 HG1 ARG 19 -5.834 -12.706 -1.940 144 HD2 ARG 19 HD2 ARG 19 -5.003 -13.869 0.719 145 HD3 ARG 19 HD1 ARG 19 -6.085 -14.612 -0.447 146 HE ARG 19 HE ARG 19 -3.957 -14.291 -1.948 147 HH11 ARG 19 HH11 ARG 19 -4.092 -15.431 1.422 148 HH12 ARG 19 HH12 ARG 19 -2.793 -16.505 1.248 149 HH21 ARG 19 HH21 ARG 19 -2.150 -15.785 -2.152 150 HH22 ARG 19 HH22 ARG 19 -1.678 -16.731 -0.828 151 H LEU 20 HN LEU 20 -3.629 -8.969 0.180 152 HA LEU 20 HA LEU 20 -0.880 -8.987 -0.370 153 HB2 LEU 20 HB2 LEU 20 -2.455 -7.405 -1.369 154 HB3 LEU 20 HB1 LEU 20 -2.733 -6.695 0.202 155 HG LEU 20 HG LEU 20 -0.440 -5.938 0.296 156 HD11 LEU 20 HD11 LEU 20 -0.207 -7.087 -2.494 157 HD12 LEU 20 HD12 LEU 20 0.755 -7.537 -1.071 158 HD13 LEU 20 HD13 LEU 20 0.933 -5.950 -1.790 159 HD21 LEU 20 HD21 LEU 20 -2.084 -4.443 -0.517 160 HD22 LEU 20 HD22 LEU 20 -1.970 -5.151 -2.142 161 HD23 LEU 20 HD23 LEU 20 -0.605 -4.252 -1.482 162 H LYS 21 HN LYS 21 -2.784 -8.308 2.493 163 HA LYS 21 HA LYS 21 -0.828 -7.196 4.188 164 HB2 LYS 21 HB2 LYS 21 -2.868 -9.274 4.916 165 HB3 LYS 21 HB1 LYS 21 -2.103 -8.243 6.078 166 HG2 LYS 21 HG2 LYS 21 -4.066 -7.503 3.898 167 HG3 LYS 21 HG1 LYS 21 -4.425 -7.532 5.617 168 HD2 LYS 21 HD2 LYS 21 -2.425 -5.653 4.372 169 HD3 LYS 21 HD1 LYS 21 -4.141 -5.287 4.415 170 HE2 LYS 21 HE2 LYS 21 -2.247 -5.560 6.770 171 HE3 LYS 21 HE1 LYS 21 -3.127 -4.182 6.189 172 HZ1 LYS 21 HZ1 LYS 21 -4.457 -6.570 7.395 173 HZ2 LYS 21 HZ2 LYS 21 -5.212 -5.153 6.848 174 HZ3 LYS 21 HZ3 LYS 21 -4.170 -5.081 8.131 175 H THR 22 HN THR 22 -1.621 -10.506 3.384 176 HA THR 22 HA THR 22 0.252 -11.850 4.990 177 HB THR 22 HB THR 22 -1.003 -12.688 2.361 178 HG1 THR 22 HG1 THR 22 -2.566 -12.167 3.945 179 HG21 THR 22 HG21 THR 22 0.156 -14.383 4.590 180 HG22 THR 22 HG22 THR 22 0.911 -14.101 3.025 181 HG23 THR 22 HG23 THR 22 -0.609 -14.988 3.119 182 H ALA 23 HN ALA 23 0.310 -10.869 1.571 183 HA ALA 23 HA ALA 23 2.767 -11.944 0.858 184 HB1 ALA 23 HB1 ALA 23 1.097 -11.159 -0.748 185 HB2 ALA 23 HB2 ALA 23 2.691 -10.463 -1.055 186 HB3 ALA 23 HB3 ALA 23 1.443 -9.493 -0.278 187 H LEU 24 HN LEU 24 2.053 -8.685 2.085 188 HA LEU 24 HA LEU 24 4.764 -7.804 1.898 189 HB2 LEU 24 HB2 LEU 24 2.575 -6.791 3.695 190 HB3 LEU 24 HB1 LEU 24 4.082 -5.966 3.411 191 HG LEU 24 HG LEU 24 1.846 -6.388 1.423 192 HD11 LEU 24 HD11 LEU 24 1.370 -4.728 3.111 193 HD12 LEU 24 HD12 LEU 24 1.697 -3.906 1.570 194 HD13 LEU 24 HD13 LEU 24 2.921 -3.962 2.825 195 HD21 LEU 24 HD21 LEU 24 3.152 -4.841 -0.017 196 HD22 LEU 24 HD22 LEU 24 3.888 -6.409 0.140 197 HD23 LEU 24 HD23 LEU 24 4.528 -5.031 1.062 198 H THR 25 HN THR 25 2.911 -9.238 4.509 199 HA THR 25 HA THR 25 4.873 -9.012 6.496 200 HB THR 25 HB THR 25 2.696 -11.086 6.137 201 HG1 THR 25 HG1 THR 25 1.759 -9.055 6.319 202 HG21 THR 25 HG21 THR 25 4.242 -10.297 8.615 203 HG22 THR 25 HG22 THR 25 4.379 -11.831 7.760 204 HG23 THR 25 HG23 THR 25 2.874 -11.410 8.580 205 H ALA 26 HN ALA 26 4.203 -11.525 4.104 206 HA ALA 26 HA ALA 26 6.090 -13.425 4.936 207 HB1 ALA 26 HB1 ALA 26 4.923 -12.950 2.204 208 HB2 ALA 26 HB2 ALA 26 4.214 -13.943 3.478 209 HB3 ALA 26 HB3 ALA 26 5.744 -14.415 2.734 210 H ASN 27 HN ASN 27 6.427 -10.511 3.162 211 HA ASN 27 HA ASN 27 9.107 -11.304 2.327 212 HB2 ASN 27 HB2 ASN 27 7.278 -9.170 1.270 213 HB3 ASN 27 HB1 ASN 27 9.001 -9.175 0.914 214 HD21 ASN 27 HD21 ASN 27 5.970 -10.834 0.410 215 HD22 ASN 27 HD22 ASN 27 6.516 -11.802 -0.905 216 H ARG 28 HN ARG 28 7.898 -10.126 4.950 217 HA ARG 28 HA ARG 28 8.690 -8.944 6.708 218 HB2 ARG 28 HB2 ARG 28 11.265 -9.065 5.133 219 HB3 ARG 28 HB1 ARG 28 11.163 -8.456 6.768 220 HG2 ARG 28 HG2 ARG 28 10.400 -11.256 5.959 221 HG3 ARG 28 HG1 ARG 28 11.989 -10.797 6.569 222 HD2 ARG 28 HD2 ARG 28 10.753 -11.702 8.396 223 HD3 ARG 28 HD1 ARG 28 10.860 -9.964 8.642 224 HE ARG 28 HE ARG 28 8.467 -11.315 7.587 225 HH11 ARG 28 HH11 ARG 28 9.893 -8.789 9.617 226 HH12 ARG 28 HH12 ARG 28 8.445 -8.426 10.439 227 HH21 ARG 28 HH21 ARG 28 6.480 -10.797 8.723 228 HH22 ARG 28 HH22 ARG 28 6.470 -9.558 9.915 229 H ILE 29 HN ILE 29 7.280 -7.490 4.893 230 HA ILE 29 HA ILE 29 8.726 -4.974 4.691 231 HB ILE 29 HB ILE 29 6.094 -5.804 3.438 232 HG12 ILE 29 HG12 ILE 29 8.803 -5.442 2.132 233 HG13 ILE 29 HG11 ILE 29 8.149 -7.002 2.616 234 HG21 ILE 29 HG21 ILE 29 7.813 -3.352 2.961 235 HG22 ILE 29 HG22 ILE 29 6.320 -3.368 3.871 236 HG23 ILE 29 HG23 ILE 29 6.291 -3.724 2.136 237 HD11 ILE 29 HD11 ILE 29 6.300 -6.663 1.056 238 HD12 ILE 29 HD12 ILE 29 7.873 -6.656 0.281 239 HD13 ILE 29 HD13 ILE 29 7.019 -5.128 0.554 240 H ALA 30 HN ALA 30 8.169 -3.305 5.938 241 HA ALA 30 HA ALA 30 6.170 -3.661 8.015 242 HB1 ALA 30 HB1 ALA 30 8.357 -2.763 8.587 243 HB2 ALA 30 HB2 ALA 30 7.109 -1.532 8.857 244 HB3 ALA 30 HB3 ALA 30 8.128 -1.474 7.410 245 H TYR 31 HN TYR 31 4.155 -2.811 7.863 246 HA TYR 31 HA TYR 31 3.745 -0.579 6.017 247 HB2 TYR 31 HB2 TYR 31 1.681 -1.637 5.134 248 HB3 TYR 31 HB1 TYR 31 3.143 -2.518 4.711 249 HD1 TYR 31 HD2 TYR 31 0.126 -2.550 6.828 250 HD2 TYR 31 HD1 TYR 31 3.492 -4.745 5.485 251 HE1 TYR 31 HE2 TYR 31 -0.865 -4.594 7.755 252 HE2 TYR 31 HE1 TYR 31 2.514 -6.820 6.407 253 HH TYR 31 HH TYR 31 -0.733 -7.011 7.555 254 H ASP 32 HN ASP 32 1.645 0.462 6.263 255 HA ASP 32 HA ASP 32 0.562 0.309 8.987 256 HB2 ASP 32 HB2 ASP 32 1.868 2.363 8.668 257 HB3 ASP 32 HB1 ASP 32 0.959 2.741 7.207 258 H GLU 33 HN GLU 33 -1.732 0.442 9.074 259 HA GLU 33 HA GLU 33 -3.088 0.411 6.463 260 HB2 GLU 33 HB2 GLU 33 -4.439 -1.492 7.231 261 HB3 GLU 33 HB1 GLU 33 -2.737 -1.897 7.111 262 HG2 GLU 33 HG2 GLU 33 -2.483 -1.737 9.505 263 HG3 GLU 33 HG1 GLU 33 -4.155 -1.195 9.672 264 H VAL 34 HN VAL 34 -5.030 1.403 6.431 265 HA VAL 34 HA VAL 34 -6.313 1.995 8.950 266 HB VAL 34 HB VAL 34 -4.957 4.009 8.376 267 HG11 VAL 34 HG11 VAL 34 -5.462 5.398 6.465 268 HG12 VAL 34 HG12 VAL 34 -6.598 4.190 5.883 269 HG13 VAL 34 HG13 VAL 34 -4.869 3.805 5.983 270 HG21 VAL 34 HG21 VAL 34 -7.920 4.440 8.103 271 HG22 VAL 34 HG22 VAL 34 -6.742 5.697 8.462 272 HG23 VAL 34 HG23 VAL 34 -6.998 4.376 9.610 273 H ASP 35 HN ASP 35 -8.624 2.137 8.721 274 HA ASP 35 HA ASP 35 -9.575 0.799 6.346 275 HB2 ASP 35 HB2 ASP 35 -10.532 0.255 8.563 276 HB3 ASP 35 HB1 ASP 35 -11.114 1.910 8.713 277 H ILE 36 HN ILE 36 -10.845 1.665 4.774 278 HA ILE 36 HA ILE 36 -10.517 4.495 4.497 279 HB ILE 36 HB ILE 36 -11.250 4.279 2.212 280 HG12 ILE 36 HG12 ILE 36 -11.596 1.315 2.762 281 HG13 ILE 36 HG11 ILE 36 -12.928 2.451 2.565 282 HG21 ILE 36 HG21 ILE 36 -8.955 3.957 2.623 283 HG22 ILE 36 HG22 ILE 36 -9.427 2.654 1.502 284 HG23 ILE 36 HG23 ILE 36 -9.228 2.325 3.210 285 HD11 ILE 36 HD11 ILE 36 -12.569 1.223 0.515 286 HD12 ILE 36 HD12 ILE 36 -10.876 1.714 0.487 287 HD13 ILE 36 HD13 ILE 36 -12.148 2.919 0.274 288 H GLU 37 HN GLU 37 -13.155 2.365 5.210 289 HA GLU 37 HA GLU 37 -15.087 4.274 4.340 290 HB2 GLU 37 HB2 GLU 37 -15.312 1.640 5.758 291 HB3 GLU 37 HB1 GLU 37 -16.713 2.667 5.469 292 HG2 GLU 37 HG2 GLU 37 -14.874 1.657 3.311 293 HG3 GLU 37 HG1 GLU 37 -16.392 0.890 3.768 294 H HIS 38 HN HIS 38 -13.278 3.809 7.106 295 HA HIS 38 HA HIS 38 -15.041 5.343 8.795 296 HB2 HIS 38 HB2 HIS 38 -13.435 3.674 9.745 297 HB3 HIS 38 HB1 HIS 38 -12.104 4.693 9.216 298 HD1 HIS 38 HD1 HIS 38 -11.268 6.315 10.984 299 HD2 HIS 38 HD2 HIS 38 -15.177 5.081 11.674 300 HE1 HIS 38 HE1 HIS 38 -11.951 7.344 13.168 301 H ASN 39 HN ASN 39 -12.577 6.012 6.440 302 HA ASN 39 HA ASN 39 -12.584 8.853 7.244 303 HB2 ASN 39 HB2 ASN 39 -10.313 7.362 5.905 304 HB3 ASN 39 HB1 ASN 39 -10.322 9.076 6.288 305 HD21 ASN 39 HD21 ASN 39 -9.914 5.855 7.475 306 HD22 ASN 39 HD22 ASN 39 -9.348 6.311 9.026 307 H ARG 40 HN ARG 40 -14.171 9.501 5.869 308 HA ARG 40 HA ARG 40 -14.716 8.544 3.359 309 HB2 ARG 40 HB2 ARG 40 -16.288 9.920 4.572 310 HB3 ARG 40 HB1 ARG 40 -15.230 11.315 4.420 311 HG2 ARG 40 HG2 ARG 40 -15.502 11.270 2.007 312 HG3 ARG 40 HG1 ARG 40 -16.539 9.852 2.156 313 HD2 ARG 40 HD2 ARG 40 -18.167 11.124 3.378 314 HD3 ARG 40 HD1 ARG 40 -17.112 12.541 3.377 315 HE ARG 40 HE ARG 40 -17.524 11.647 0.764 316 HH11 ARG 40 HH11 ARG 40 -19.318 13.240 3.365 317 HH12 ARG 40 HH12 ARG 40 -20.305 14.159 2.332 318 HH21 ARG 40 HH21 ARG 40 -18.872 12.930 -0.678 319 HH22 ARG 40 HH22 ARG 40 -20.017 14.000 -0.008 320 H ALA 41 HN ALA 41 -12.579 11.305 4.095 321 HA ALA 41 HA ALA 41 -12.105 12.019 1.406 322 HB1 ALA 41 HB1 ALA 41 -11.555 13.504 3.272 323 HB2 ALA 41 HB2 ALA 41 -10.153 13.227 2.233 324 HB3 ALA 41 HB3 ALA 41 -10.282 12.392 3.783 325 H ALA 42 HN ALA 42 -10.517 9.714 3.519 326 HA ALA 42 HA ALA 42 -8.380 9.122 1.731 327 HB1 ALA 42 HB1 ALA 42 -7.947 7.178 3.144 328 HB2 ALA 42 HB2 ALA 42 -9.489 7.392 3.963 329 HB3 ALA 42 HB3 ALA 42 -8.220 8.598 4.153 330 H ALA 43 HN ALA 43 -11.526 7.727 2.383 331 HA ALA 43 HA ALA 43 -11.357 5.526 0.630 332 HB1 ALA 43 HB1 ALA 43 -13.724 5.346 0.898 333 HB2 ALA 43 HB2 ALA 43 -13.821 6.997 1.510 334 HB3 ALA 43 HB3 ALA 43 -13.002 5.753 2.453 335 H GLU 44 HN GLU 44 -12.394 8.828 0.154 336 HA GLU 44 HA GLU 44 -13.408 8.462 -2.462 337 HB2 GLU 44 HB2 GLU 44 -13.871 10.382 -0.877 338 HB3 GLU 44 HB1 GLU 44 -12.270 10.987 -1.271 339 HG2 GLU 44 HG2 GLU 44 -13.956 12.124 -2.543 340 HG3 GLU 44 HG1 GLU 44 -12.914 11.178 -3.610 341 H PHE 45 HN PHE 45 -10.311 9.340 -1.106 342 HA PHE 45 HA PHE 45 -8.908 9.906 -3.458 343 HB2 PHE 45 HB2 PHE 45 -8.049 10.524 -1.270 344 HB3 PHE 45 HB1 PHE 45 -7.994 8.842 -0.780 345 HD1 PHE 45 HD1 PHE 45 -6.544 11.207 -3.251 346 HD2 PHE 45 HD2 PHE 45 -6.030 7.623 -1.004 347 HE1 PHE 45 HE1 PHE 45 -4.196 11.079 -3.979 348 HE2 PHE 45 HE2 PHE 45 -3.707 7.502 -1.719 349 HZ PHE 45 HZ PHE 45 -2.777 9.224 -3.214 350 H VAL 46 HN VAL 46 -8.922 6.916 -1.520 351 HA VAL 46 HA VAL 46 -7.480 5.408 -3.396 352 HB VAL 46 HB VAL 46 -7.487 4.644 -1.105 353 HG11 VAL 46 HG11 VAL 46 -9.643 5.427 -0.456 354 HG12 VAL 46 HG12 VAL 46 -9.395 3.703 -0.085 355 HG13 VAL 46 HG13 VAL 46 -10.402 4.173 -1.470 356 HG21 VAL 46 HG21 VAL 46 -7.342 2.943 -2.849 357 HG22 VAL 46 HG22 VAL 46 -9.085 2.643 -2.625 358 HG23 VAL 46 HG23 VAL 46 -7.955 2.345 -1.303 359 H GLY 47 HN GLY 47 -10.945 5.915 -3.077 360 HA2 GLY 47 HA2 GLY 47 -11.760 3.913 -4.882 361 HA3 GLY 47 HA1 GLY 47 -12.675 5.357 -4.468 362 H SER 48 HN SER 48 -10.435 7.069 -5.386 363 HA SER 48 HA SER 48 -11.245 7.215 -8.146 364 HB2 SER 48 HB2 SER 48 -9.354 8.960 -6.569 365 HB3 SER 48 HB1 SER 48 -10.037 9.314 -8.161 366 HG SER 48 HG SER 48 -11.226 9.351 -5.633 367 H VAL 49 HN VAL 49 -8.369 6.345 -6.323 368 HA VAL 49 HA VAL 49 -6.800 6.116 -8.781 369 HB VAL 49 HB VAL 49 -4.867 5.663 -7.294 370 HG11 VAL 49 HG11 VAL 49 -4.754 7.877 -6.268 371 HG12 VAL 49 HG12 VAL 49 -6.498 8.052 -6.516 372 HG13 VAL 49 HG13 VAL 49 -5.420 7.951 -7.909 373 HG21 VAL 49 HG21 VAL 49 -5.091 5.875 -4.879 374 HG22 VAL 49 HG22 VAL 49 -6.142 4.568 -5.466 375 HG23 VAL 49 HG23 VAL 49 -6.820 6.149 -5.072 376 H ASN 50 HN ASN 50 -8.979 4.358 -7.576 377 HA ASN 50 HA ASN 50 -7.648 1.815 -7.351 378 HB2 ASN 50 HB2 ASN 50 -10.145 2.876 -6.516 379 HB3 ASN 50 HB1 ASN 50 -10.498 1.555 -7.621 380 HD21 ASN 50 HD21 ASN 50 -7.780 1.872 -5.414 381 HD22 ASN 50 HD22 ASN 50 -8.207 0.483 -4.483 382 H GLY 51 HN GLY 51 -9.139 0.046 -8.645 383 HA2 GLY 51 HA2 GLY 51 -8.798 0.687 -11.437 384 HA3 GLY 51 HA1 GLY 51 -9.236 -0.880 -10.751 385 H GLY 52 HN GLY 52 -10.532 2.386 -11.032 386 HA2 GLY 52 HA2 GLY 52 -12.557 2.821 -12.263 387 HA3 GLY 52 HA1 GLY 52 -13.111 1.206 -11.836 388 H ASN 53 HN ASN 53 -13.192 0.869 -9.372 389 HA ASN 53 HA ASN 53 -14.075 3.265 -7.972 390 HB2 ASN 53 HB2 ASN 53 -16.086 2.212 -9.127 391 HB3 ASN 53 HB1 ASN 53 -15.814 0.785 -8.130 392 HD21 ASN 53 HD21 ASN 53 -17.776 1.015 -7.120 393 HD22 ASN 53 HD22 ASN 53 -18.125 2.257 -5.977 394 H ARG 54 HN ARG 54 -14.347 2.764 -5.660 395 HA ARG 54 HA ARG 54 -12.097 1.424 -4.674 396 HB2 ARG 54 HB2 ARG 54 -12.975 1.713 -2.380 397 HB3 ARG 54 HB1 ARG 54 -13.089 3.193 -3.303 398 HG2 ARG 54 HG2 ARG 54 -15.458 1.371 -3.034 399 HG3 ARG 54 HG1 ARG 54 -15.040 2.489 -1.746 400 HD2 ARG 54 HD2 ARG 54 -15.578 3.297 -4.618 401 HD3 ARG 54 HD1 ARG 54 -16.762 3.324 -3.319 402 HE ARG 54 HE ARG 54 -14.957 4.796 -2.214 403 HH11 ARG 54 HH11 ARG 54 -15.918 4.985 -5.655 404 HH12 ARG 54 HH12 ARG 54 -15.712 6.669 -5.760 405 HH21 ARG 54 HH21 ARG 54 -14.732 7.121 -2.383 406 HH22 ARG 54 HH22 ARG 54 -15.005 7.939 -3.852 407 H THR 55 HN THR 55 -11.659 -0.573 -4.662 408 HA THR 55 HA THR 55 -13.364 -2.500 -3.434 409 HB THR 55 HB THR 55 -14.386 -2.504 -5.682 410 HG1 THR 55 HG1 THR 55 -14.502 -4.634 -5.784 411 HG21 THR 55 HG21 THR 55 -11.642 -3.275 -6.699 412 HG22 THR 55 HG22 THR 55 -12.469 -1.750 -7.012 413 HG23 THR 55 HG23 THR 55 -13.120 -3.254 -7.664 414 H VAL 56 HN VAL 56 -10.334 -1.653 -5.016 415 HA VAL 56 HA VAL 56 -9.133 -4.001 -3.771 416 HB VAL 56 HB VAL 56 -7.206 -3.581 -5.389 417 HG11 VAL 56 HG11 VAL 56 -8.740 -5.498 -5.592 418 HG12 VAL 56 HG12 VAL 56 -8.310 -4.892 -7.189 419 HG13 VAL 56 HG13 VAL 56 -9.883 -4.502 -6.492 420 HG21 VAL 56 HG21 VAL 56 -9.352 -2.050 -6.842 421 HG22 VAL 56 HG22 VAL 56 -7.816 -2.567 -7.538 422 HG23 VAL 56 HG23 VAL 56 -7.833 -1.400 -6.211 423 HA PRO 57 HA PRO 57 -6.675 -1.517 -1.121 424 HB2 PRO 57 HB2 PRO 57 -4.315 -2.907 -1.122 425 HB3 PRO 57 HB1 PRO 57 -5.741 -3.436 -0.224 426 HG2 PRO 57 HG2 PRO 57 -4.778 -4.312 -2.919 427 HG3 PRO 57 HG1 PRO 57 -5.368 -5.309 -1.572 428 HD2 PRO 57 HD2 PRO 57 -6.917 -4.725 -3.655 429 HD3 PRO 57 HD1 PRO 57 -7.581 -4.767 -2.012 430 H THR 58 HN THR 58 -5.467 0.228 -1.337 431 HA THR 58 HA THR 58 -3.656 0.355 -3.604 432 HB THR 58 HB THR 58 -5.174 2.700 -2.399 433 HG1 THR 58 HG1 THR 58 -5.974 0.723 -3.922 434 HG21 THR 58 HG21 THR 58 -3.027 3.198 -3.646 435 HG22 THR 58 HG22 THR 58 -4.495 3.906 -4.320 436 HG23 THR 58 HG23 THR 58 -3.802 2.480 -5.081 437 H VAL 59 HN VAL 59 -1.567 1.114 -2.963 438 HA VAL 59 HA VAL 59 -1.295 1.631 -0.096 439 HB VAL 59 HB VAL 59 1.113 1.050 -0.354 440 HG11 VAL 59 HG11 VAL 59 0.760 -1.363 -0.709 441 HG12 VAL 59 HG12 VAL 59 -0.923 -0.979 -1.167 442 HG13 VAL 59 HG13 VAL 59 -0.323 -0.613 0.461 443 HG21 VAL 59 HG21 VAL 59 1.385 1.525 -2.723 444 HG22 VAL 59 HG22 VAL 59 0.298 0.191 -3.125 445 HG23 VAL 59 HG23 VAL 59 1.857 -0.136 -2.360 446 H LYS 60 HN LYS 60 -0.683 3.508 0.598 447 HA LYS 60 HA LYS 60 0.383 5.451 -1.338 448 HB2 LYS 60 HB2 LYS 60 -1.606 6.100 0.087 449 HB3 LYS 60 HB1 LYS 60 -0.550 5.959 1.485 450 HG2 LYS 60 HG2 LYS 60 0.974 7.640 0.341 451 HG3 LYS 60 HG1 LYS 60 -0.350 7.923 -0.786 452 HD2 LYS 60 HD2 LYS 60 -0.520 9.596 0.877 453 HD3 LYS 60 HD1 LYS 60 -1.787 8.417 1.232 454 HE2 LYS 60 HE2 LYS 60 -0.699 9.042 3.289 455 HE3 LYS 60 HE1 LYS 60 -0.275 7.376 2.916 456 HZ1 LYS 60 HZ1 LYS 60 1.901 8.203 2.059 457 HZ2 LYS 60 HZ2 LYS 60 1.637 8.600 3.656 458 HZ3 LYS 60 HZ3 LYS 60 1.439 9.772 2.494 459 H PHE 61 HN PHE 61 2.474 5.675 -1.266 460 HA PHE 61 HA PHE 61 3.995 4.455 0.837 461 HB2 PHE 61 HB2 PHE 61 4.821 5.995 -1.604 462 HB3 PHE 61 HB1 PHE 61 5.953 5.290 -0.453 463 HD1 PHE 61 HD1 PHE 61 3.271 4.509 -2.849 464 HD2 PHE 61 HD2 PHE 61 6.500 3.010 -0.528 465 HE1 PHE 61 HE1 PHE 61 3.127 2.400 -4.032 466 HE2 PHE 61 HE2 PHE 61 6.377 0.877 -1.728 467 HZ PHE 61 HZ PHE 61 4.701 0.566 -3.492 468 H ALA 62 HN ALA 62 5.875 5.679 1.709 469 HA ALA 62 HA ALA 62 5.039 7.818 3.299 470 HB1 ALA 62 HB1 ALA 62 6.875 6.320 3.902 471 HB2 ALA 62 HB2 ALA 62 7.383 8.010 3.955 472 HB3 ALA 62 HB3 ALA 62 7.850 6.991 2.593 473 H ASP 63 HN ASP 63 6.400 7.742 0.109 474 HA ASP 63 HA ASP 63 7.160 10.515 0.080 475 HB2 ASP 63 HB2 ASP 63 7.757 10.211 -2.211 476 HB3 ASP 63 HB1 ASP 63 8.200 8.720 -1.399 477 H GLY 64 HN GLY 64 4.247 8.791 -0.305 478 HA2 GLY 64 HA2 GLY 64 2.199 10.044 -0.163 479 HA3 GLY 64 HA1 GLY 64 2.925 11.269 -1.193 480 H SER 65 HN SER 65 3.985 8.894 -2.895 481 HA SER 65 HA SER 65 1.846 8.925 -4.757 482 HB2 SER 65 HB2 SER 65 4.193 8.853 -5.429 483 HB3 SER 65 HB1 SER 65 4.364 7.267 -4.689 484 HG SER 65 HG SER 65 3.244 8.011 -7.090 485 H THR 66 HN THR 66 0.892 6.967 -5.712 486 HA THR 66 HA THR 66 0.343 4.915 -3.717 487 HB THR 66 HB THR 66 -1.953 4.878 -4.853 488 HG1 THR 66 HG1 THR 66 -1.742 6.265 -6.513 489 HG21 THR 66 HG21 THR 66 -1.197 7.174 -3.035 490 HG22 THR 66 HG22 THR 66 -1.658 5.535 -2.538 491 HG23 THR 66 HG23 THR 66 -2.834 6.577 -3.328 492 H LEU 67 HN LEU 67 0.264 2.903 -4.488 493 HA LEU 67 HA LEU 67 0.146 2.543 -7.391 494 HB2 LEU 67 HB2 LEU 67 1.663 0.757 -5.435 495 HB3 LEU 67 HB1 LEU 67 1.440 0.426 -7.131 496 HG LEU 67 HG LEU 67 3.093 2.682 -5.971 497 HD11 LEU 67 HD11 LEU 67 5.008 1.471 -6.830 498 HD12 LEU 67 HD12 LEU 67 3.958 0.218 -7.473 499 HD13 LEU 67 HD13 LEU 67 4.112 0.413 -5.734 500 HD21 LEU 67 HD21 LEU 67 3.827 3.060 -8.270 501 HD22 LEU 67 HD22 LEU 67 2.102 3.360 -8.073 502 HD23 LEU 67 HD23 LEU 67 2.658 1.869 -8.841 503 H THR 68 HN THR 68 -1.708 1.639 -7.968 504 HA THR 68 HA THR 68 -3.614 0.594 -6.208 505 HB THR 68 HB THR 68 -3.354 -0.005 -9.164 506 HG1 THR 68 HG1 THR 68 -4.657 2.365 -8.435 507 HG21 THR 68 HG21 THR 68 -5.280 -0.975 -7.949 508 HG22 THR 68 HG22 THR 68 -5.811 0.254 -9.095 509 HG23 THR 68 HG23 THR 68 -5.723 0.633 -7.375 510 H ASN 69 HN ASN 69 -4.158 -1.621 -5.816 511 HA ASN 69 HA ASN 69 -2.755 -3.337 -4.755 512 HB2 ASN 69 HB2 ASN 69 -3.839 -5.376 -5.732 513 HB3 ASN 69 HB1 ASN 69 -4.909 -4.124 -5.146 514 HD21 ASN 69 HD21 ASN 69 -5.311 -6.338 -7.097 515 HD22 ASN 69 HD22 ASN 69 -5.888 -5.589 -8.531 516 HA PRO 70 HA PRO 70 0.748 -4.433 -7.338 517 HB2 PRO 70 HB2 PRO 70 2.481 -3.640 -5.326 518 HB3 PRO 70 HB1 PRO 70 2.039 -2.669 -6.727 519 HG2 PRO 70 HG2 PRO 70 1.434 -2.071 -4.044 520 HG3 PRO 70 HG1 PRO 70 0.728 -1.302 -5.473 521 HD2 PRO 70 HD2 PRO 70 -0.359 -3.481 -3.758 522 HD3 PRO 70 HD1 PRO 70 -1.194 -2.153 -4.604 523 H SER 71 HN SER 71 2.794 -5.560 -6.384 524 HA SER 71 HA SER 71 1.922 -7.594 -4.496 525 HB2 SER 71 HB2 SER 71 3.708 -8.939 -5.720 526 HB3 SER 71 HB1 SER 71 2.266 -8.555 -6.673 527 HG SER 71 HG SER 71 4.779 -7.990 -7.153 528 H ALA 72 HN ALA 72 3.897 -8.427 -3.278 529 HA ALA 72 HA ALA 72 5.146 -6.346 -1.905 530 HB1 ALA 72 HB1 ALA 72 6.455 -8.066 -0.821 531 HB2 ALA 72 HB2 ALA 72 5.987 -9.226 -2.060 532 HB3 ALA 72 HB3 ALA 72 4.770 -8.560 -0.963 533 H ASP 73 HN ASP 73 6.308 -8.267 -4.632 534 HA ASP 73 HA ASP 73 8.927 -7.195 -4.499 535 HB2 ASP 73 HB2 ASP 73 9.309 -8.201 -6.716 536 HB3 ASP 73 HB1 ASP 73 8.528 -9.344 -5.643 537 H GLU 74 HN GLU 74 5.998 -6.207 -6.134 538 HA GLU 74 HA GLU 74 7.210 -4.181 -7.705 539 HB2 GLU 74 HB2 GLU 74 4.374 -4.605 -6.831 540 HB3 GLU 74 HB1 GLU 74 4.859 -3.206 -7.779 541 HG2 GLU 74 HG2 GLU 74 5.132 -6.086 -8.557 542 HG3 GLU 74 HG1 GLU 74 3.973 -4.928 -9.198 543 H VAL 75 HN VAL 75 5.630 -4.109 -4.559 544 HA VAL 75 HA VAL 75 5.946 -1.323 -4.327 545 HB VAL 75 HB VAL 75 5.525 -1.677 -1.829 546 HG11 VAL 75 HG11 VAL 75 3.522 -2.770 -3.805 547 HG12 VAL 75 HG12 VAL 75 3.731 -1.061 -3.450 548 HG13 VAL 75 HG13 VAL 75 3.126 -2.159 -2.208 549 HG21 VAL 75 HG21 VAL 75 4.830 -4.403 -2.809 550 HG22 VAL 75 HG22 VAL 75 4.572 -3.808 -1.169 551 HG23 VAL 75 HG23 VAL 75 6.223 -4.059 -1.780 552 H LYS 76 HN LYS 76 8.018 -3.987 -3.303 553 HA LYS 76 HA LYS 76 9.783 -2.441 -1.747 554 HB2 LYS 76 HB2 LYS 76 10.262 -4.977 -3.288 555 HB3 LYS 76 HB1 LYS 76 11.502 -4.209 -2.312 556 HG2 LYS 76 HG2 LYS 76 9.999 -4.433 -0.341 557 HG3 LYS 76 HG1 LYS 76 8.871 -5.321 -1.362 558 HD2 LYS 76 HD2 LYS 76 10.238 -6.873 -0.075 559 HD3 LYS 76 HD1 LYS 76 10.624 -7.009 -1.791 560 HE2 LYS 76 HE2 LYS 76 12.617 -5.672 -1.490 561 HE3 LYS 76 HE1 LYS 76 12.204 -5.384 0.204 562 HZ1 LYS 76 HZ1 LYS 76 13.885 -7.077 -0.052 563 HZ2 LYS 76 HZ2 LYS 76 12.872 -8.010 -1.013 564 HZ3 LYS 76 HZ3 LYS 76 12.489 -7.737 0.610 565 H ALA 77 HN ALA 77 9.552 -2.804 -5.181 566 HA ALA 77 HA ALA 77 12.109 -1.781 -5.816 567 HB1 ALA 77 HB1 ALA 77 11.224 -1.492 -8.074 568 HB2 ALA 77 HB2 ALA 77 9.585 -1.744 -7.472 569 HB3 ALA 77 HB3 ALA 77 10.758 -3.060 -7.413 570 H LYS 78 HN LYS 78 9.008 -0.274 -5.199 571 HA LYS 78 HA LYS 78 10.019 2.334 -5.950 572 HB2 LYS 78 HB2 LYS 78 7.560 1.546 -6.168 573 HB3 LYS 78 HB1 LYS 78 7.453 1.844 -4.435 574 HG2 LYS 78 HG2 LYS 78 8.270 4.184 -4.904 575 HG3 LYS 78 HG1 LYS 78 8.052 3.792 -6.617 576 HD2 LYS 78 HD2 LYS 78 5.682 3.347 -6.173 577 HD3 LYS 78 HD1 LYS 78 5.924 3.868 -4.503 578 HE2 LYS 78 HE2 LYS 78 6.380 5.528 -6.976 579 HE3 LYS 78 HE1 LYS 78 5.014 5.678 -5.877 580 HZ1 LYS 78 HZ1 LYS 78 7.870 6.222 -5.178 581 HZ2 LYS 78 HZ2 LYS 78 6.573 6.469 -4.123 582 HZ3 LYS 78 HZ3 LYS 78 6.712 7.377 -5.503 583 H LEU 79 HN LEU 79 9.211 0.530 -3.070 584 HA LEU 79 HA LEU 79 9.477 2.512 -1.130 585 HB2 LEU 79 HB2 LEU 79 8.342 0.363 -0.796 586 HB3 LEU 79 HB1 LEU 79 9.881 -0.460 -0.879 587 HG LEU 79 HG LEU 79 10.582 0.726 1.187 588 HD11 LEU 79 HD11 LEU 79 8.945 1.874 2.536 589 HD12 LEU 79 HD12 LEU 79 7.707 1.609 1.311 590 HD13 LEU 79 HD13 LEU 79 9.073 2.667 0.966 591 HD21 LEU 79 HD21 LEU 79 9.188 -0.603 2.703 592 HD22 LEU 79 HD22 LEU 79 9.682 -1.535 1.294 593 HD23 LEU 79 HD23 LEU 79 8.043 -0.892 1.393 594 H VAL 80 HN VAL 80 11.921 0.308 -2.483 595 HA VAL 80 HA VAL 80 13.928 0.788 -0.588 596 HB VAL 80 HB VAL 80 14.063 -1.056 -2.233 597 HG11 VAL 80 HG11 VAL 80 14.865 -0.689 -4.508 598 HG12 VAL 80 HG12 VAL 80 14.694 1.051 -4.268 599 HG13 VAL 80 HG13 VAL 80 13.271 0.004 -4.207 600 HG21 VAL 80 HG21 VAL 80 16.476 -0.926 -2.710 601 HG22 VAL 80 HG22 VAL 80 16.091 -0.424 -1.064 602 HG23 VAL 80 HG23 VAL 80 16.450 0.788 -2.294 603 H LYS 81 HN LYS 81 12.994 2.667 -3.355 604 HA LYS 81 HA LYS 81 15.311 4.340 -3.276 605 HB2 LYS 81 HB2 LYS 81 12.670 4.681 -4.660 606 HB3 LYS 81 HB1 LYS 81 14.071 5.712 -4.923 607 HG2 LYS 81 HG2 LYS 81 15.345 3.810 -5.774 608 HG3 LYS 81 HG1 LYS 81 13.975 2.747 -5.470 609 HD2 LYS 81 HD2 LYS 81 13.942 5.096 -7.370 610 HD3 LYS 81 HD1 LYS 81 14.201 3.421 -7.851 611 HE2 LYS 81 HE2 LYS 81 11.983 2.836 -6.958 612 HE3 LYS 81 HE1 LYS 81 11.714 4.515 -6.511 613 HZ1 LYS 81 HZ1 LYS 81 12.054 3.437 -9.240 614 HZ2 LYS 81 HZ2 LYS 81 11.933 5.089 -8.872 615 HZ3 LYS 81 HZ3 LYS 81 10.648 4.059 -8.543 616 H ILE 82 HN ILE 82 12.358 4.259 -1.579 617 HA ILE 82 HA ILE 82 12.361 7.064 -0.868 618 HB ILE 82 HB ILE 82 10.855 4.767 0.407 619 HG12 ILE 82 HG12 ILE 82 9.927 6.722 -1.705 620 HG13 ILE 82 HG11 ILE 82 10.338 5.035 -1.996 621 HG21 ILE 82 HG21 ILE 82 9.350 6.517 1.261 622 HG22 ILE 82 HG22 ILE 82 10.388 7.752 0.550 623 HG23 ILE 82 HG23 ILE 82 10.998 6.735 1.859 624 HD11 ILE 82 HD11 ILE 82 8.502 4.354 -0.536 625 HD12 ILE 82 HD12 ILE 82 7.944 5.353 -1.878 626 HD13 ILE 82 HD13 ILE 82 8.102 6.049 -0.267 627 H ALA 83 HN ALA 83 13.040 3.973 0.709 628 HA ALA 83 HA ALA 83 13.962 5.126 3.145 629 HB1 ALA 83 HB1 ALA 83 14.424 2.355 2.036 630 HB2 ALA 83 HB2 ALA 83 13.077 2.849 3.065 631 HB3 ALA 83 HB3 ALA 83 14.724 2.863 3.696 632 H GLY 84 HN GLY 84 15.465 4.206 0.141 633 HA2 GLY 84 HA2 GLY 84 17.434 5.217 -0.622 634 HA3 GLY 84 HA1 GLY 84 17.938 5.457 1.051 635 H LEU 85 HN LEU 85 19.035 3.948 2.058 636 HA LEU 85 HA LEU 85 20.303 2.125 2.498 637 HB2 LEU 85 HB2 LEU 85 18.182 0.662 0.917 638 HB3 LEU 85 HB1 LEU 85 19.356 -0.094 1.970 639 HG LEU 85 HG LEU 85 17.163 1.791 2.849 640 HD11 LEU 85 HD11 LEU 85 16.142 -0.198 3.835 641 HD12 LEU 85 HD12 LEU 85 17.406 -1.199 3.125 642 HD13 LEU 85 HD13 LEU 85 16.276 -0.334 2.083 643 HD21 LEU 85 HD21 LEU 85 19.126 0.158 4.467 644 HD22 LEU 85 HD22 LEU 85 17.781 1.092 5.121 645 HD23 LEU 85 HD23 LEU 85 19.111 1.916 4.314 646 H GLU 86 HN GLU 86 19.168 1.124 -0.642 647 HA GLU 86 HA GLU 86 21.856 0.440 -1.503 648 HB2 GLU 86 HB2 GLU 86 19.143 0.018 -2.747 649 HB3 GLU 86 HB1 GLU 86 20.656 -0.559 -3.436 650 HG2 GLU 86 HG2 GLU 86 19.489 -1.365 -0.784 651 HG3 GLU 86 HG1 GLU 86 19.462 -2.323 -2.266 652 H HIS 87 HN HIS 87 19.842 3.072 -1.621 653 HA HIS 87 HA HIS 87 21.257 4.180 -3.929 654 HB2 HIS 87 HB2 HIS 87 18.914 3.370 -4.529 655 HB3 HIS 87 HB1 HIS 87 18.295 4.577 -3.415 656 HD1 HIS 87 HD1 HIS 87 18.343 7.074 -4.255 657 HD2 HIS 87 HD2 HIS 87 19.936 4.312 -6.921 658 HE1 HIS 87 HE1 HIS 87 18.575 8.274 -6.461 659 H HIS 88 HN HIS 88 21.253 6.554 -3.835 660 HA HIS 88 HA HIS 88 21.332 7.507 -1.105 661 HB2 HIS 88 HB2 HIS 88 23.232 8.042 -2.593 662 HB3 HIS 88 HB1 HIS 88 22.138 8.831 -3.723 663 HD1 HIS 88 HD1 HIS 88 21.686 11.283 -3.317 664 HD2 HIS 88 HD2 HIS 88 23.503 9.426 -0.083 665 HE1 HIS 88 HE1 HIS 88 22.255 13.120 -1.691 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 14.504 8.133 7.706 2 H2 MET 1 HT2 MET 1 14.203 9.070 9.064 3 H3 MET 1 HT3 MET 1 15.629 9.309 8.188 4 HA MET 1 HA MET 1 14.076 11.050 7.816 5 HB2 MET 1 HB2 MET 1 15.598 10.328 5.973 6 HB3 MET 1 HB1 MET 1 14.328 9.268 5.379 7 HG2 MET 1 HG2 MET 1 14.411 11.302 4.083 8 HG3 MET 1 HG1 MET 1 12.893 11.223 4.982 9 HE1 MET 1 HE1 MET 1 16.542 12.217 6.199 10 HE2 MET 1 HE2 MET 1 16.473 13.967 6.007 11 HE3 MET 1 HE3 MET 1 16.401 12.919 4.589 12 H VAL 2 HN VAL 2 12.686 7.957 6.551 13 HA VAL 2 HA VAL 2 10.118 9.261 6.472 14 HB VAL 2 HB VAL 2 9.235 7.132 5.556 15 HG11 VAL 2 HG11 VAL 2 10.132 8.781 4.027 16 HG12 VAL 2 HG12 VAL 2 10.471 7.155 3.437 17 HG13 VAL 2 HG13 VAL 2 11.747 8.098 4.205 18 HG21 VAL 2 HG21 VAL 2 10.762 5.282 4.990 19 HG22 VAL 2 HG22 VAL 2 10.694 5.543 6.735 20 HG23 VAL 2 HG23 VAL 2 12.076 6.121 5.810 21 H THR 3 HN THR 3 8.481 9.040 7.859 22 HA THR 3 HA THR 3 9.071 7.477 10.264 23 HB THR 3 HB THR 3 8.780 9.915 10.634 24 HG1 THR 3 HG1 THR 3 6.474 8.840 11.753 25 HG21 THR 3 HG21 THR 3 5.961 9.457 9.625 26 HG22 THR 3 HG22 THR 3 7.203 10.424 8.832 27 HG23 THR 3 HG23 THR 3 6.541 10.938 10.387 28 H ALA 4 HN ALA 4 7.191 7.530 7.539 29 HA ALA 4 HA ALA 4 5.622 5.290 8.471 30 HB1 ALA 4 HB1 ALA 4 4.086 7.182 8.709 31 HB2 ALA 4 HB2 ALA 4 3.606 6.203 7.324 32 HB3 ALA 4 HB3 ALA 4 4.475 7.719 7.078 33 H ALA 5 HN ALA 5 5.865 3.762 6.999 34 HA ALA 5 HA ALA 5 7.361 4.343 4.633 35 HB1 ALA 5 HB1 ALA 5 6.162 1.746 5.587 36 HB2 ALA 5 HB2 ALA 5 7.800 2.317 5.917 37 HB3 ALA 5 HB3 ALA 5 7.311 1.925 4.267 38 H LEU 6 HN LEU 6 4.158 2.810 5.156 39 HA LEU 6 HA LEU 6 3.033 4.215 2.956 40 HB2 LEU 6 HB2 LEU 6 2.486 2.349 1.534 41 HB3 LEU 6 HB1 LEU 6 4.218 2.429 1.721 42 HG LEU 6 HG LEU 6 2.458 0.456 3.212 43 HD11 LEU 6 HD11 LEU 6 4.049 0.136 0.695 44 HD12 LEU 6 HD12 LEU 6 2.290 0.040 0.854 45 HD13 LEU 6 HD13 LEU 6 3.314 -1.188 1.604 46 HD21 LEU 6 HD21 LEU 6 5.441 0.515 2.745 47 HD22 LEU 6 HD22 LEU 6 4.550 -0.753 3.588 48 HD23 LEU 6 HD23 LEU 6 4.629 0.876 4.267 49 H THR 7 HN THR 7 0.878 4.187 2.998 50 HA THR 7 HA THR 7 -0.403 2.670 5.148 51 HB THR 7 HB THR 7 -1.208 5.301 3.864 52 HG1 THR 7 HG1 THR 7 -0.694 4.780 6.587 53 HG21 THR 7 HG21 THR 7 -3.198 3.945 4.418 54 HG22 THR 7 HG22 THR 7 -3.056 5.345 5.488 55 HG23 THR 7 HG23 THR 7 -2.572 3.747 6.058 56 H ILE 8 HN ILE 8 -1.712 1.142 4.593 57 HA ILE 8 HA ILE 8 -2.568 0.725 1.849 58 HB ILE 8 HB ILE 8 -2.782 -0.992 4.340 59 HG12 ILE 8 HG12 ILE 8 -1.178 -1.432 1.835 60 HG13 ILE 8 HG11 ILE 8 -0.505 -0.780 3.334 61 HG21 ILE 8 HG21 ILE 8 -3.748 -1.620 1.580 62 HG22 ILE 8 HG22 ILE 8 -4.682 -1.438 3.080 63 HG23 ILE 8 HG23 ILE 8 -3.564 -2.790 2.899 64 HD11 ILE 8 HD11 ILE 8 -1.102 -2.894 4.444 65 HD12 ILE 8 HD12 ILE 8 -0.004 -3.129 3.085 66 HD13 ILE 8 HD13 ILE 8 -1.718 -3.503 2.907 67 H TYR 9 HN TYR 9 -4.462 1.207 1.133 68 HA TYR 9 HA TYR 9 -6.698 1.683 2.992 69 HB2 TYR 9 HB2 TYR 9 -6.303 2.641 0.158 70 HB3 TYR 9 HB1 TYR 9 -7.676 3.012 1.196 71 HD1 TYR 9 HD1 TYR 9 -7.170 4.260 3.369 72 HD2 TYR 9 HD2 TYR 9 -4.472 4.030 0.111 73 HE1 TYR 9 HE1 TYR 9 -6.022 6.222 4.220 74 HE2 TYR 9 HE2 TYR 9 -3.299 6.001 0.926 75 HH TYR 9 HH TYR 9 -3.841 7.323 4.042 76 H THR 10 HN THR 10 -8.295 0.308 2.957 77 HA THR 10 HA THR 10 -9.051 -1.070 0.593 78 HB THR 10 HB THR 10 -7.089 -2.411 1.247 79 HG1 THR 10 HG1 THR 10 -9.239 -4.062 1.982 80 HG21 THR 10 HG21 THR 10 -7.070 -3.704 3.349 81 HG22 THR 10 HG22 THR 10 -8.549 -2.886 3.852 82 HG23 THR 10 HG23 THR 10 -7.059 -1.967 3.650 83 H THR 11 HN THR 11 -10.826 -2.653 1.197 84 HA THR 11 HA THR 11 -12.287 -1.827 3.625 85 HB THR 11 HB THR 11 -13.829 -2.885 1.316 86 HG1 THR 11 HG1 THR 11 -12.623 -1.450 0.131 87 HG21 THR 11 HG21 THR 11 -14.845 -2.149 3.431 88 HG22 THR 11 HG22 THR 11 -15.398 -1.168 2.074 89 HG23 THR 11 HG23 THR 11 -14.181 -0.534 3.181 90 H SER 12 HN SER 12 -13.714 -3.586 4.381 91 HA SER 12 HA SER 12 -12.313 -5.924 4.790 92 HB2 SER 12 HB2 SER 12 -15.247 -5.388 5.002 93 HB3 SER 12 HB1 SER 12 -14.367 -6.647 5.894 94 HG SER 12 HG SER 12 -14.608 -3.936 6.342 95 H TRP 13 HN TRP 13 -14.600 -5.117 2.253 96 HA TRP 13 HA TRP 13 -14.969 -7.877 1.464 97 HB2 TRP 13 HB2 TRP 13 -16.446 -6.903 -0.320 98 HB3 TRP 13 HB1 TRP 13 -16.927 -6.557 1.334 99 HD1 TRP 13 HD1 TRP 13 -16.962 -4.063 2.101 100 HE1 TRP 13 HE1 TRP 13 -16.713 -1.827 0.875 101 HE3 TRP 13 HE3 TRP 13 -15.194 -5.777 -2.381 102 HZ2 TRP 13 HZ2 TRP 13 -15.908 -0.901 -1.657 103 HZ3 TRP 13 HZ3 TRP 13 -14.719 -4.144 -4.155 104 HH2 TRP 13 HH2 TRP 13 -15.067 -1.753 -3.796 105 H CYS 14 HN CYS 14 -12.519 -5.805 0.938 106 HA CYS 14 HA CYS 14 -12.149 -6.317 -1.861 107 HB2 CYS 14 HB2 CYS 14 -10.298 -5.174 0.242 108 HB3 CYS 14 HB1 CYS 14 -9.937 -5.226 -1.480 109 HG CYS 14 HG CYS 14 -11.626 -3.420 -2.283 110 H GLY 15 HN GLY 15 -11.545 -8.247 -2.567 111 HA2 GLY 15 HA2 GLY 15 -10.957 -10.390 -0.849 112 HA3 GLY 15 HA1 GLY 15 -10.799 -10.405 -2.595 113 H TYR 16 HN TYR 16 -8.833 -8.197 -2.491 114 HA TYR 16 HA TYR 16 -6.606 -9.937 -2.065 115 HB2 TYR 16 HB2 TYR 16 -6.726 -7.216 -3.305 116 HB3 TYR 16 HB1 TYR 16 -5.229 -8.131 -3.112 117 HD1 TYR 16 HD1 TYR 16 -5.579 -10.719 -3.895 118 HD2 TYR 16 HD2 TYR 16 -7.653 -7.327 -5.434 119 HE1 TYR 16 HE1 TYR 16 -6.049 -11.952 -5.961 120 HE2 TYR 16 HE2 TYR 16 -8.132 -8.563 -7.507 121 HH TYR 16 HH TYR 16 -7.774 -11.878 -7.724 122 H CYS 17 HN CYS 17 -8.139 -7.930 0.039 123 HA CYS 17 HA CYS 17 -6.115 -6.412 1.186 124 HB2 CYS 17 HB2 CYS 17 -7.484 -6.375 3.251 125 HB3 CYS 17 HB1 CYS 17 -8.431 -6.047 1.806 126 HG CYS 17 HG CYS 17 -9.915 -8.217 1.836 127 H LEU 18 HN LEU 18 -7.240 -9.580 2.403 128 HA LEU 18 HA LEU 18 -5.156 -9.836 4.274 129 HB2 LEU 18 HB2 LEU 18 -5.882 -12.066 4.712 130 HB3 LEU 18 HB1 LEU 18 -7.296 -11.077 4.468 131 HG LEU 18 HG LEU 18 -6.165 -13.008 2.422 132 HD11 LEU 18 HD11 LEU 18 -8.072 -14.411 2.993 133 HD12 LEU 18 HD12 LEU 18 -8.496 -13.299 4.299 134 HD13 LEU 18 HD13 LEU 18 -6.975 -14.191 4.352 135 HD21 LEU 18 HD21 LEU 18 -7.436 -11.219 1.390 136 HD22 LEU 18 HD22 LEU 18 -8.789 -11.509 2.490 137 HD23 LEU 18 HD23 LEU 18 -8.329 -12.735 1.304 138 H ARG 19 HN ARG 19 -5.390 -10.809 0.954 139 HA ARG 19 HA ARG 19 -3.245 -12.600 0.815 140 HB2 ARG 19 HB2 ARG 19 -4.375 -10.710 -1.241 141 HB3 ARG 19 HB1 ARG 19 -3.105 -11.858 -1.617 142 HG2 ARG 19 HG2 ARG 19 -5.817 -12.651 -0.554 143 HG3 ARG 19 HG1 ARG 19 -5.422 -12.566 -2.267 144 HD2 ARG 19 HD2 ARG 19 -5.199 -14.843 -1.607 145 HD3 ARG 19 HD1 ARG 19 -3.576 -14.216 -1.840 146 HE ARG 19 HE ARG 19 -4.828 -14.489 0.800 147 HH11 ARG 19 HH11 ARG 19 -2.025 -15.031 -1.329 148 HH12 ARG 19 HH12 ARG 19 -1.092 -15.816 -0.146 149 HH21 ARG 19 HH21 ARG 19 -3.505 -15.573 2.446 150 HH22 ARG 19 HH22 ARG 19 -1.955 -16.101 2.076 151 H LEU 20 HN LEU 20 -3.451 -9.144 0.304 152 HA LEU 20 HA LEU 20 -0.767 -8.608 -0.234 153 HB2 LEU 20 HB2 LEU 20 -2.570 -7.134 -0.831 154 HB3 LEU 20 HB1 LEU 20 -3.027 -6.949 0.843 155 HG LEU 20 HG LEU 20 -0.948 -5.758 1.264 156 HD11 LEU 20 HD11 LEU 20 0.386 -4.933 -0.667 157 HD12 LEU 20 HD12 LEU 20 -0.563 -5.960 -1.738 158 HD13 LEU 20 HD13 LEU 20 0.467 -6.683 -0.503 159 HD21 LEU 20 HD21 LEU 20 -1.614 -3.713 0.156 160 HD22 LEU 20 HD22 LEU 20 -3.018 -4.597 0.754 161 HD23 LEU 20 HD23 LEU 20 -2.615 -4.630 -0.965 162 H LYS 21 HN LYS 21 -2.631 -8.697 2.774 163 HA LYS 21 HA LYS 21 -0.687 -7.618 4.502 164 HB2 LYS 21 HB2 LYS 21 -2.775 -9.707 5.162 165 HB3 LYS 21 HB1 LYS 21 -1.879 -8.761 6.332 166 HG2 LYS 21 HG2 LYS 21 -3.884 -7.722 4.341 167 HG3 LYS 21 HG1 LYS 21 -4.120 -7.914 6.077 168 HD2 LYS 21 HD2 LYS 21 -2.340 -6.250 6.472 169 HD3 LYS 21 HD1 LYS 21 -2.175 -6.040 4.726 170 HE2 LYS 21 HE2 LYS 21 -3.565 -4.281 5.656 171 HE3 LYS 21 HE1 LYS 21 -4.521 -5.328 4.602 172 HZ1 LYS 21 HZ1 LYS 21 -4.529 -5.266 7.581 173 HZ2 LYS 21 HZ2 LYS 21 -5.216 -6.497 6.704 174 HZ3 LYS 21 HZ3 LYS 21 -5.807 -4.945 6.538 175 H THR 22 HN THR 22 -1.371 -10.981 3.584 176 HA THR 22 HA THR 22 0.559 -12.221 5.149 177 HB THR 22 HB THR 22 -0.468 -13.046 2.418 178 HG1 THR 22 HG1 THR 22 -1.653 -12.966 4.914 179 HG21 THR 22 HG21 THR 22 1.504 -14.325 3.168 180 HG22 THR 22 HG22 THR 22 0.052 -15.321 3.133 181 HG23 THR 22 HG23 THR 22 0.672 -14.721 4.673 182 H ALA 23 HN ALA 23 0.737 -10.980 1.825 183 HA ALA 23 HA ALA 23 3.307 -11.876 1.203 184 HB1 ALA 23 HB1 ALA 23 1.638 -11.106 -0.434 185 HB2 ALA 23 HB2 ALA 23 3.220 -10.371 -0.664 186 HB3 ALA 23 HB3 ALA 23 1.919 -9.445 0.091 187 H LEU 24 HN LEU 24 2.260 -8.797 2.616 188 HA LEU 24 HA LEU 24 4.938 -7.713 2.647 189 HB2 LEU 24 HB2 LEU 24 2.538 -6.856 4.208 190 HB3 LEU 24 HB1 LEU 24 4.014 -5.940 4.034 191 HG LEU 24 HG LEU 24 1.974 -6.506 1.884 192 HD11 LEU 24 HD11 LEU 24 2.861 -3.983 3.248 193 HD12 LEU 24 HD12 LEU 24 1.327 -4.795 3.493 194 HD13 LEU 24 HD13 LEU 24 1.711 -4.055 1.921 195 HD21 LEU 24 HD21 LEU 24 4.135 -6.478 0.781 196 HD22 LEU 24 HD22 LEU 24 4.597 -5.028 1.690 197 HD23 LEU 24 HD23 LEU 24 3.277 -4.967 0.522 198 H THR 25 HN THR 25 2.957 -9.411 4.953 199 HA THR 25 HA THR 25 4.676 -9.004 7.131 200 HB THR 25 HB THR 25 2.700 -11.224 6.567 201 HG1 THR 25 HG1 THR 25 1.581 -9.361 6.667 202 HG21 THR 25 HG21 THR 25 3.932 -10.356 9.200 203 HG22 THR 25 HG22 THR 25 4.270 -11.872 8.365 204 HG23 THR 25 HG23 THR 25 2.661 -11.567 9.021 205 H ALA 26 HN ALA 26 4.543 -11.498 4.608 206 HA ALA 26 HA ALA 26 6.527 -13.201 5.616 207 HB1 ALA 26 HB1 ALA 26 4.991 -13.794 3.780 208 HB2 ALA 26 HB2 ALA 26 6.677 -14.093 3.362 209 HB3 ALA 26 HB3 ALA 26 5.849 -12.671 2.726 210 H ASN 27 HN ASN 27 6.759 -10.400 3.494 211 HA ASN 27 HA ASN 27 9.642 -10.734 3.249 212 HB2 ASN 27 HB2 ASN 27 7.747 -8.748 2.009 213 HB3 ASN 27 HB1 ASN 27 9.492 -8.640 1.824 214 HD21 ASN 27 HD21 ASN 27 6.630 -10.516 1.060 215 HD22 ASN 27 HD22 ASN 27 7.390 -11.460 -0.166 216 H ARG 28 HN ARG 28 7.661 -9.362 5.419 217 HA ARG 28 HA ARG 28 7.891 -8.118 7.222 218 HB2 ARG 28 HB2 ARG 28 10.865 -8.292 6.745 219 HB3 ARG 28 HB1 ARG 28 10.088 -7.779 8.232 220 HG2 ARG 28 HG2 ARG 28 9.099 -9.987 8.502 221 HG3 ARG 28 HG1 ARG 28 9.841 -10.505 6.988 222 HD2 ARG 28 HD2 ARG 28 12.057 -10.066 7.958 223 HD3 ARG 28 HD1 ARG 28 11.288 -9.617 9.478 224 HE ARG 28 HE ARG 28 10.625 -12.218 8.435 225 HH11 ARG 28 HH11 ARG 28 12.812 -10.416 10.590 226 HH12 ARG 28 HH12 ARG 28 13.092 -11.735 11.615 227 HH21 ARG 28 HH21 ARG 28 11.062 -14.051 9.842 228 HH22 ARG 28 HH22 ARG 28 12.100 -13.842 11.162 229 H ILE 29 HN ILE 29 6.952 -6.594 5.526 230 HA ILE 29 HA ILE 29 8.571 -4.148 5.556 231 HB ILE 29 HB ILE 29 5.998 -4.735 3.998 232 HG12 ILE 29 HG12 ILE 29 7.495 -4.066 1.985 233 HG13 ILE 29 HG11 ILE 29 8.840 -4.274 3.088 234 HG21 ILE 29 HG21 ILE 29 7.535 -2.155 4.083 235 HG22 ILE 29 HG22 ILE 29 5.951 -2.438 4.794 236 HG23 ILE 29 HG23 ILE 29 6.160 -2.496 3.036 237 HD11 ILE 29 HD11 ILE 29 8.445 -6.128 1.612 238 HD12 ILE 29 HD12 ILE 29 6.857 -6.390 2.340 239 HD13 ILE 29 HD13 ILE 29 8.328 -6.599 3.310 240 H ALA 30 HN ALA 30 7.928 -2.421 6.826 241 HA ALA 30 HA ALA 30 5.785 -2.951 8.704 242 HB1 ALA 30 HB1 ALA 30 7.699 -0.642 8.491 243 HB2 ALA 30 HB2 ALA 30 7.890 -2.050 9.544 244 HB3 ALA 30 HB3 ALA 30 6.569 -0.908 9.820 245 H TYR 31 HN TYR 31 3.838 -2.454 8.052 246 HA TYR 31 HA TYR 31 3.484 -0.118 6.326 247 HB2 TYR 31 HB2 TYR 31 1.583 -1.359 5.272 248 HB3 TYR 31 HB1 TYR 31 3.172 -2.042 4.947 249 HD1 TYR 31 HD2 TYR 31 3.847 -4.149 6.005 250 HD2 TYR 31 HD1 TYR 31 -0.079 -2.612 6.520 251 HE1 TYR 31 HE2 TYR 31 3.107 -6.340 6.798 252 HE2 TYR 31 HE1 TYR 31 -0.829 -4.810 7.322 253 HH TYR 31 HH TYR 31 1.400 -7.246 8.141 254 H ASP 32 HN ASP 32 1.495 0.924 6.458 255 HA ASP 32 HA ASP 32 0.144 0.640 9.041 256 HB2 ASP 32 HB2 ASP 32 1.201 2.827 8.742 257 HB3 ASP 32 HB1 ASP 32 0.475 2.987 7.154 258 H GLU 33 HN GLU 33 -2.126 0.471 8.975 259 HA GLU 33 HA GLU 33 -3.335 0.290 6.312 260 HB2 GLU 33 HB2 GLU 33 -4.476 -1.785 6.980 261 HB3 GLU 33 HB1 GLU 33 -2.732 -1.985 6.909 262 HG2 GLU 33 HG2 GLU 33 -2.585 -1.832 9.321 263 HG3 GLU 33 HG1 GLU 33 -4.315 -1.530 9.423 264 H VAL 34 HN VAL 34 -5.250 1.233 6.201 265 HA VAL 34 HA VAL 34 -6.777 1.461 8.624 266 HB VAL 34 HB VAL 34 -5.607 3.622 8.503 267 HG11 VAL 34 HG11 VAL 34 -6.815 4.042 5.807 268 HG12 VAL 34 HG12 VAL 34 -5.117 3.655 6.137 269 HG13 VAL 34 HG13 VAL 34 -5.805 5.163 6.718 270 HG21 VAL 34 HG21 VAL 34 -7.892 3.642 9.339 271 HG22 VAL 34 HG22 VAL 34 -8.479 3.913 7.690 272 HG23 VAL 34 HG23 VAL 34 -7.493 5.134 8.481 273 H ASP 35 HN ASP 35 -8.883 1.065 8.310 274 HA ASP 35 HA ASP 35 -9.599 0.246 5.647 275 HB2 ASP 35 HB2 ASP 35 -11.743 -0.482 6.642 276 HB3 ASP 35 HB1 ASP 35 -10.370 -1.119 7.531 277 H ILE 36 HN ILE 36 -11.005 1.155 4.341 278 HA ILE 36 HA ILE 36 -11.289 3.994 4.694 279 HB ILE 36 HB ILE 36 -11.960 4.087 2.378 280 HG12 ILE 36 HG12 ILE 36 -11.695 1.070 2.432 281 HG13 ILE 36 HG11 ILE 36 -13.227 1.934 2.339 282 HG21 ILE 36 HG21 ILE 36 -9.839 3.229 1.468 283 HG22 ILE 36 HG22 ILE 36 -9.585 2.318 2.951 284 HG23 ILE 36 HG23 ILE 36 -9.609 4.083 2.990 285 HD11 ILE 36 HD11 ILE 36 -11.027 1.891 0.296 286 HD12 ILE 36 HD12 ILE 36 -12.504 2.864 0.178 287 HD13 ILE 36 HD13 ILE 36 -12.598 1.100 0.191 288 H GLU 37 HN GLU 37 -13.266 1.364 5.201 289 HA GLU 37 HA GLU 37 -15.688 2.607 4.547 290 HB2 GLU 37 HB2 GLU 37 -16.674 0.829 6.179 291 HB3 GLU 37 HB1 GLU 37 -15.948 0.310 4.665 292 HG2 GLU 37 HG2 GLU 37 -13.984 -0.378 5.752 293 HG3 GLU 37 HG1 GLU 37 -14.478 0.343 7.288 294 H HIS 38 HN HIS 38 -13.720 2.547 7.447 295 HA HIS 38 HA HIS 38 -15.582 4.125 8.935 296 HB2 HIS 38 HB2 HIS 38 -14.007 2.711 10.123 297 HB3 HIS 38 HB1 HIS 38 -12.645 3.541 9.381 298 HD1 HIS 38 HD1 HIS 38 -11.591 5.263 10.909 299 HD2 HIS 38 HD2 HIS 38 -15.612 4.636 11.770 300 HE1 HIS 38 HE1 HIS 38 -12.111 6.686 12.905 301 H ASN 39 HN ASN 39 -12.545 4.801 7.200 302 HA ASN 39 HA ASN 39 -13.010 7.608 7.706 303 HB2 ASN 39 HB2 ASN 39 -10.568 6.221 6.663 304 HB3 ASN 39 HB1 ASN 39 -10.741 7.972 6.650 305 HD21 ASN 39 HD21 ASN 39 -8.824 6.476 8.048 306 HD22 ASN 39 HD22 ASN 39 -9.030 6.808 9.722 307 H ARG 40 HN ARG 40 -14.275 8.541 6.544 308 HA ARG 40 HA ARG 40 -15.122 8.100 3.938 309 HB2 ARG 40 HB2 ARG 40 -16.363 9.401 5.503 310 HB3 ARG 40 HB1 ARG 40 -15.047 10.542 5.687 311 HG2 ARG 40 HG2 ARG 40 -15.397 11.236 3.342 312 HG3 ARG 40 HG1 ARG 40 -16.804 10.165 3.278 313 HD2 ARG 40 HD2 ARG 40 -17.865 11.365 5.065 314 HD3 ARG 40 HD1 ARG 40 -16.432 12.358 5.302 315 HE ARG 40 HE ARG 40 -17.584 12.485 2.683 316 HH11 ARG 40 HH11 ARG 40 -17.553 13.911 5.949 317 HH12 ARG 40 HH12 ARG 40 -18.223 15.381 5.447 318 HH21 ARG 40 HH21 ARG 40 -18.511 14.556 2.025 319 HH22 ARG 40 HH22 ARG 40 -18.786 15.755 3.209 320 H ALA 41 HN ALA 41 -12.599 10.280 5.177 321 HA ALA 41 HA ALA 41 -12.015 11.518 2.701 322 HB1 ALA 41 HB1 ALA 41 -11.392 12.529 4.845 323 HB2 ALA 41 HB2 ALA 41 -9.992 12.343 3.784 324 HB3 ALA 41 HB3 ALA 41 -10.238 11.221 5.121 325 H ALA 42 HN ALA 42 -10.723 8.694 4.326 326 HA ALA 42 HA ALA 42 -8.618 8.304 2.462 327 HB1 ALA 42 HB1 ALA 42 -8.555 7.361 4.744 328 HB2 ALA 42 HB2 ALA 42 -8.281 6.181 3.471 329 HB3 ALA 42 HB3 ALA 42 -9.849 6.238 4.290 330 H ALA 43 HN ALA 43 -11.892 7.087 2.798 331 HA ALA 43 HA ALA 43 -11.909 5.234 0.684 332 HB1 ALA 43 HB1 ALA 43 -14.190 6.932 1.690 333 HB2 ALA 43 HB2 ALA 43 -13.687 5.398 2.391 334 HB3 ALA 43 HB3 ALA 43 -14.329 5.450 0.747 335 H GLU 44 HN GLU 44 -12.555 8.668 0.769 336 HA GLU 44 HA GLU 44 -13.293 9.086 -1.898 337 HB2 GLU 44 HB2 GLU 44 -13.472 10.768 -0.080 338 HB3 GLU 44 HB1 GLU 44 -11.720 10.893 -0.050 339 HG2 GLU 44 HG2 GLU 44 -12.580 12.756 -1.251 340 HG3 GLU 44 HG1 GLU 44 -11.799 11.675 -2.405 341 H PHE 45 HN PHE 45 -10.184 9.309 -0.283 342 HA PHE 45 HA PHE 45 -8.549 9.979 -2.401 343 HB2 PHE 45 HB2 PHE 45 -7.860 10.132 -0.053 344 HB3 PHE 45 HB1 PHE 45 -7.908 8.383 0.080 345 HD1 PHE 45 HD2 PHE 45 -6.161 11.182 -1.571 346 HD2 PHE 45 HD1 PHE 45 -6.083 7.059 -0.525 347 HE1 PHE 45 HE2 PHE 45 -3.807 11.052 -2.282 348 HE2 PHE 45 HE1 PHE 45 -3.752 6.920 -1.241 349 HZ PHE 45 HZ PHE 45 -2.598 8.919 -2.119 350 H VAL 46 HN VAL 46 -8.947 6.702 -1.034 351 HA VAL 46 HA VAL 46 -7.429 5.467 -3.105 352 HB VAL 46 HB VAL 46 -7.580 4.395 -0.930 353 HG11 VAL 46 HG11 VAL 46 -9.602 3.166 -0.413 354 HG12 VAL 46 HG12 VAL 46 -10.475 4.192 -1.579 355 HG13 VAL 46 HG13 VAL 46 -9.682 4.910 -0.138 356 HG21 VAL 46 HG21 VAL 46 -7.957 2.165 -1.540 357 HG22 VAL 46 HG22 VAL 46 -7.298 3.033 -2.958 358 HG23 VAL 46 HG23 VAL 46 -9.034 2.669 -2.843 359 H GLY 47 HN GLY 47 -10.817 6.212 -2.830 360 HA2 GLY 47 HA2 GLY 47 -11.682 4.529 -4.931 361 HA3 GLY 47 HA1 GLY 47 -12.535 5.940 -4.306 362 H SER 48 HN SER 48 -10.042 7.535 -4.866 363 HA SER 48 HA SER 48 -10.744 8.275 -7.566 364 HB2 SER 48 HB2 SER 48 -8.670 9.433 -5.695 365 HB3 SER 48 HB1 SER 48 -9.249 10.166 -7.193 366 HG SER 48 HG SER 48 -10.902 9.551 -4.949 367 H VAL 49 HN VAL 49 -8.073 6.716 -5.893 368 HA VAL 49 HA VAL 49 -6.371 6.834 -8.285 369 HB VAL 49 HB VAL 49 -4.537 6.111 -6.786 370 HG11 VAL 49 HG11 VAL 49 -4.415 8.160 -5.467 371 HG12 VAL 49 HG12 VAL 49 -6.138 8.425 -5.753 372 HG13 VAL 49 HG13 VAL 49 -5.000 8.490 -7.108 373 HG21 VAL 49 HG21 VAL 49 -6.602 6.344 -4.623 374 HG22 VAL 49 HG22 VAL 49 -4.887 5.982 -4.379 375 HG23 VAL 49 HG23 VAL 49 -5.938 4.823 -5.205 376 H ASN 50 HN ASN 50 -8.660 4.855 -7.615 377 HA ASN 50 HA ASN 50 -7.248 2.344 -7.447 378 HB2 ASN 50 HB2 ASN 50 -9.914 3.172 -6.938 379 HB3 ASN 50 HB1 ASN 50 -9.983 1.957 -8.210 380 HD21 ASN 50 HD21 ASN 50 -7.647 2.172 -5.603 381 HD22 ASN 50 HD22 ASN 50 -8.104 0.689 -4.855 382 H GLY 51 HN GLY 51 -8.136 0.584 -8.989 383 HA2 GLY 51 HA2 GLY 51 -7.375 1.535 -11.644 384 HA3 GLY 51 HA1 GLY 51 -7.314 -0.134 -11.082 385 H GLY 52 HN GLY 52 -9.380 2.434 -12.183 386 HA2 GLY 52 HA2 GLY 52 -11.122 2.004 -13.712 387 HA3 GLY 52 HA1 GLY 52 -11.316 0.403 -13.003 388 H ASN 53 HN ASN 53 -11.955 0.413 -10.680 389 HA ASN 53 HA ASN 53 -13.614 2.668 -9.883 390 HB2 ASN 53 HB2 ASN 53 -14.926 0.893 -11.305 391 HB3 ASN 53 HB1 ASN 53 -14.736 -0.147 -9.902 392 HD21 ASN 53 HD21 ASN 53 -17.132 0.894 -11.129 393 HD22 ASN 53 HD22 ASN 53 -17.974 1.783 -9.921 394 H ARG 54 HN ARG 54 -14.230 2.273 -7.537 395 HA ARG 54 HA ARG 54 -11.923 1.279 -6.194 396 HB2 ARG 54 HB2 ARG 54 -12.827 2.012 -4.094 397 HB3 ARG 54 HB1 ARG 54 -13.253 3.218 -5.280 398 HG2 ARG 54 HG2 ARG 54 -15.133 1.116 -4.202 399 HG3 ARG 54 HG1 ARG 54 -15.031 2.775 -3.629 400 HD2 ARG 54 HD2 ARG 54 -15.689 3.563 -5.857 401 HD3 ARG 54 HD1 ARG 54 -15.783 1.893 -6.411 402 HE ARG 54 HE ARG 54 -17.353 2.240 -4.130 403 HH11 ARG 54 HH11 ARG 54 -17.338 2.943 -7.590 404 HH12 ARG 54 HH12 ARG 54 -19.027 3.154 -7.716 405 HH21 ARG 54 HH21 ARG 54 -19.688 2.426 -4.304 406 HH22 ARG 54 HH22 ARG 54 -20.410 2.799 -5.794 407 H THR 55 HN THR 55 -11.428 -0.600 -5.699 408 HA THR 55 HA THR 55 -13.261 -2.560 -4.712 409 HB THR 55 HB THR 55 -13.850 -2.683 -7.077 410 HG1 THR 55 HG1 THR 55 -14.043 -4.673 -6.556 411 HG21 THR 55 HG21 THR 55 -12.199 -3.323 -8.812 412 HG22 THR 55 HG22 THR 55 -10.920 -3.228 -7.590 413 HG23 THR 55 HG23 THR 55 -11.792 -1.783 -8.046 414 H VAL 56 HN VAL 56 -10.037 -1.636 -5.792 415 HA VAL 56 HA VAL 56 -8.975 -3.950 -4.376 416 HB VAL 56 HB VAL 56 -6.864 -3.504 -5.724 417 HG11 VAL 56 HG11 VAL 56 -7.715 -4.805 -7.650 418 HG12 VAL 56 HG12 VAL 56 -9.367 -4.445 -7.139 419 HG13 VAL 56 HG13 VAL 56 -8.325 -5.427 -6.116 420 HG21 VAL 56 HG21 VAL 56 -7.422 -1.317 -6.589 421 HG22 VAL 56 HG22 VAL 56 -8.825 -1.987 -7.429 422 HG23 VAL 56 HG23 VAL 56 -7.197 -2.458 -7.917 423 HA PRO 57 HA PRO 57 -6.971 -1.450 -1.363 424 HB2 PRO 57 HB2 PRO 57 -4.638 -2.918 -1.094 425 HB3 PRO 57 HB1 PRO 57 -6.160 -3.323 -0.296 426 HG2 PRO 57 HG2 PRO 57 -4.984 -4.429 -2.806 427 HG3 PRO 57 HG1 PRO 57 -5.825 -5.277 -1.497 428 HD2 PRO 57 HD2 PRO 57 -7.058 -4.709 -3.800 429 HD3 PRO 57 HD1 PRO 57 -7.921 -4.611 -2.248 430 H THR 58 HN THR 58 -5.474 0.158 -1.276 431 HA THR 58 HA THR 58 -3.552 0.335 -3.465 432 HB THR 58 HB THR 58 -5.183 2.660 -2.404 433 HG1 THR 58 HG1 THR 58 -5.880 0.713 -3.983 434 HG21 THR 58 HG21 THR 58 -3.379 2.418 -4.830 435 HG22 THR 58 HG22 THR 58 -3.002 3.308 -3.345 436 HG23 THR 58 HG23 THR 58 -4.327 3.835 -4.382 437 H VAL 59 HN VAL 59 -1.592 1.312 -2.838 438 HA VAL 59 HA VAL 59 -1.301 1.820 0.033 439 HB VAL 59 HB VAL 59 1.153 1.358 -0.357 440 HG11 VAL 59 HG11 VAL 59 0.877 -1.090 -0.555 441 HG12 VAL 59 HG12 VAL 59 -0.843 -0.801 -0.911 442 HG13 VAL 59 HG13 VAL 59 -0.141 -0.313 0.652 443 HG21 VAL 59 HG21 VAL 59 1.790 0.099 -2.332 444 HG22 VAL 59 HG22 VAL 59 1.185 1.707 -2.753 445 HG23 VAL 59 HG23 VAL 59 0.156 0.288 -2.981 446 H LYS 60 HN LYS 60 -0.719 3.787 0.631 447 HA LYS 60 HA LYS 60 0.328 5.616 -1.432 448 HB2 LYS 60 HB2 LYS 60 -1.678 6.388 -0.129 449 HB3 LYS 60 HB1 LYS 60 -0.690 6.315 1.326 450 HG2 LYS 60 HG2 LYS 60 0.911 7.897 0.144 451 HG3 LYS 60 HG1 LYS 60 -0.359 8.136 -1.050 452 HD2 LYS 60 HD2 LYS 60 -0.503 9.915 0.531 453 HD3 LYS 60 HD1 LYS 60 -1.861 8.832 0.835 454 HE2 LYS 60 HE2 LYS 60 -0.812 9.546 2.916 455 HE3 LYS 60 HE1 LYS 60 -0.637 7.810 2.702 456 HZ1 LYS 60 HZ1 LYS 60 1.685 8.235 1.925 457 HZ2 LYS 60 HZ2 LYS 60 1.405 8.766 3.480 458 HZ3 LYS 60 HZ3 LYS 60 1.460 9.881 2.233 459 H PHE 61 HN PHE 61 2.417 5.960 -1.317 460 HA PHE 61 HA PHE 61 3.841 4.917 0.971 461 HB2 PHE 61 HB2 PHE 61 4.819 6.089 -1.627 462 HB3 PHE 61 HB1 PHE 61 5.860 5.438 -0.369 463 HD1 PHE 61 HD1 PHE 61 3.183 4.567 -2.748 464 HD2 PHE 61 HD2 PHE 61 6.307 3.139 -0.251 465 HE1 PHE 61 HE1 PHE 61 2.967 2.370 -3.761 466 HE2 PHE 61 HE2 PHE 61 6.101 0.907 -1.273 467 HZ PHE 61 HZ PHE 61 4.438 0.519 -3.032 468 H ALA 62 HN ALA 62 5.838 6.313 1.524 469 HA ALA 62 HA ALA 62 4.998 8.573 2.928 470 HB1 ALA 62 HB1 ALA 62 6.911 7.225 3.569 471 HB2 ALA 62 HB2 ALA 62 7.378 8.920 3.393 472 HB3 ALA 62 HB3 ALA 62 7.781 7.759 2.135 473 H ASP 63 HN ASP 63 6.020 8.258 -0.342 474 HA ASP 63 HA ASP 63 6.846 11.006 -0.659 475 HB2 ASP 63 HB2 ASP 63 7.307 10.444 -2.963 476 HB3 ASP 63 HB1 ASP 63 7.911 9.143 -1.952 477 H GLY 64 HN GLY 64 3.980 9.328 -0.591 478 HA2 GLY 64 HA2 GLY 64 1.866 10.326 -0.618 479 HA3 GLY 64 HA1 GLY 64 2.529 11.664 -1.550 480 H SER 65 HN SER 65 3.605 8.796 -2.900 481 HA SER 65 HA SER 65 1.566 9.080 -4.946 482 HB2 SER 65 HB2 SER 65 3.950 9.287 -5.619 483 HB3 SER 65 HB1 SER 65 4.237 7.648 -5.049 484 HG SER 65 HG SER 65 2.660 8.553 -7.192 485 H THR 66 HN THR 66 0.578 7.176 -5.819 486 HA THR 66 HA THR 66 0.369 5.043 -3.850 487 HB THR 66 HB THR 66 -1.914 4.773 -4.978 488 HG1 THR 66 HG1 THR 66 -2.092 6.072 -6.612 489 HG21 THR 66 HG21 THR 66 -2.929 6.498 -3.532 490 HG22 THR 66 HG22 THR 66 -1.328 7.206 -3.276 491 HG23 THR 66 HG23 THR 66 -1.685 5.568 -2.707 492 H LEU 67 HN LEU 67 0.099 2.988 -4.602 493 HA LEU 67 HA LEU 67 0.256 2.501 -7.481 494 HB2 LEU 67 HB2 LEU 67 1.669 0.872 -5.326 495 HB3 LEU 67 HB1 LEU 67 1.508 0.374 -6.990 496 HG LEU 67 HG LEU 67 3.119 2.735 -5.994 497 HD11 LEU 67 HD11 LEU 67 5.056 1.428 -6.583 498 HD12 LEU 67 HD12 LEU 67 4.044 0.123 -7.183 499 HD13 LEU 67 HD13 LEU 67 4.077 0.480 -5.461 500 HD21 LEU 67 HD21 LEU 67 3.966 2.840 -8.294 501 HD22 LEU 67 HD22 LEU 67 2.241 3.171 -8.216 502 HD23 LEU 67 HD23 LEU 67 2.815 1.596 -8.778 503 H THR 68 HN THR 68 -1.420 1.384 -8.137 504 HA THR 68 HA THR 68 -3.463 0.510 -6.370 505 HB THR 68 HB THR 68 -3.056 -0.218 -9.295 506 HG1 THR 68 HG1 THR 68 -4.327 2.127 -8.234 507 HG21 THR 68 HG21 THR 68 -5.515 -0.222 -9.347 508 HG22 THR 68 HG22 THR 68 -5.550 0.202 -7.635 509 HG23 THR 68 HG23 THR 68 -4.913 -1.362 -8.143 510 H ASN 69 HN ASN 69 -3.989 -1.689 -5.788 511 HA ASN 69 HA ASN 69 -2.575 -3.262 -4.540 512 HB2 ASN 69 HB2 ASN 69 -3.558 -5.403 -5.338 513 HB3 ASN 69 HB1 ASN 69 -4.708 -4.141 -4.965 514 HD21 ASN 69 HD21 ASN 69 -4.924 -6.543 -6.634 515 HD22 ASN 69 HD22 ASN 69 -5.413 -6.022 -8.202 516 HA PRO 70 HA PRO 70 1.027 -4.361 -6.943 517 HB2 PRO 70 HB2 PRO 70 2.754 -3.275 -5.173 518 HB3 PRO 70 HB1 PRO 70 1.987 -2.357 -6.465 519 HG2 PRO 70 HG2 PRO 70 1.543 -2.145 -3.594 520 HG3 PRO 70 HG1 PRO 70 0.944 -1.103 -4.895 521 HD2 PRO 70 HD2 PRO 70 -0.430 -3.266 -3.460 522 HD3 PRO 70 HD1 PRO 70 -1.071 -1.981 -4.502 523 H SER 71 HN SER 71 2.452 -5.961 -6.660 524 HA SER 71 HA SER 71 1.987 -7.824 -4.554 525 HB2 SER 71 HB2 SER 71 4.225 -7.806 -6.599 526 HB3 SER 71 HB1 SER 71 3.525 -9.203 -5.773 527 HG SER 71 HG SER 71 2.403 -7.566 -7.763 528 H ALA 72 HN ALA 72 3.961 -8.667 -3.282 529 HA ALA 72 HA ALA 72 4.881 -6.606 -1.642 530 HB1 ALA 72 HB1 ALA 72 5.893 -9.436 -1.842 531 HB2 ALA 72 HB2 ALA 72 4.581 -8.841 -0.805 532 HB3 ALA 72 HB3 ALA 72 6.233 -8.308 -0.529 533 H ASP 73 HN ASP 73 6.425 -8.196 -4.346 534 HA ASP 73 HA ASP 73 8.977 -7.001 -3.845 535 HB2 ASP 73 HB2 ASP 73 7.878 -8.230 -6.383 536 HB3 ASP 73 HB1 ASP 73 9.531 -7.654 -6.206 537 H GLU 74 HN GLU 74 6.154 -6.114 -5.660 538 HA GLU 74 HA GLU 74 7.264 -3.982 -7.141 539 HB2 GLU 74 HB2 GLU 74 4.416 -4.432 -6.260 540 HB3 GLU 74 HB1 GLU 74 4.920 -3.244 -7.452 541 HG2 GLU 74 HG2 GLU 74 5.766 -5.092 -8.858 542 HG3 GLU 74 HG1 GLU 74 5.140 -6.236 -7.674 543 H VAL 75 HN VAL 75 5.573 -4.104 -4.044 544 HA VAL 75 HA VAL 75 5.698 -1.303 -3.636 545 HB VAL 75 HB VAL 75 5.352 -1.854 -1.164 546 HG11 VAL 75 HG11 VAL 75 3.405 -2.913 -3.184 547 HG12 VAL 75 HG12 VAL 75 3.533 -1.221 -2.689 548 HG13 VAL 75 HG13 VAL 75 3.003 -2.448 -1.532 549 HG21 VAL 75 HG21 VAL 75 4.846 -4.553 -2.321 550 HG22 VAL 75 HG22 VAL 75 4.566 -4.049 -0.646 551 HG23 VAL 75 HG23 VAL 75 6.212 -4.136 -1.283 552 H LYS 76 HN LYS 76 7.815 -3.922 -2.595 553 HA LYS 76 HA LYS 76 9.467 -2.370 -0.971 554 HB2 LYS 76 HB2 LYS 76 9.957 -4.899 -2.505 555 HB3 LYS 76 HB1 LYS 76 11.239 -4.110 -1.570 556 HG2 LYS 76 HG2 LYS 76 9.886 -4.450 0.448 557 HG3 LYS 76 HG1 LYS 76 8.597 -5.120 -0.545 558 HD2 LYS 76 HD2 LYS 76 9.917 -6.902 0.497 559 HD3 LYS 76 HD1 LYS 76 10.034 -6.958 -1.261 560 HE2 LYS 76 HE2 LYS 76 12.223 -5.675 -1.025 561 HE3 LYS 76 HE1 LYS 76 12.085 -5.945 0.706 562 HZ1 LYS 76 HZ1 LYS 76 12.127 -8.086 -1.326 563 HZ2 LYS 76 HZ2 LYS 76 12.236 -8.311 0.352 564 HZ3 LYS 76 HZ3 LYS 76 13.475 -7.554 -0.503 565 H ALA 77 HN ALA 77 9.544 -3.015 -4.428 566 HA ALA 77 HA ALA 77 11.974 -1.796 -5.041 567 HB1 ALA 77 HB1 ALA 77 11.163 -1.722 -7.339 568 HB2 ALA 77 HB2 ALA 77 9.519 -2.023 -6.777 569 HB3 ALA 77 HB3 ALA 77 10.757 -3.261 -6.579 570 H LYS 78 HN LYS 78 8.773 -0.390 -4.640 571 HA LYS 78 HA LYS 78 9.730 2.227 -5.500 572 HB2 LYS 78 HB2 LYS 78 7.372 1.531 -5.964 573 HB3 LYS 78 HB1 LYS 78 7.084 1.543 -4.220 574 HG2 LYS 78 HG2 LYS 78 7.678 3.889 -4.115 575 HG3 LYS 78 HG1 LYS 78 7.994 3.863 -5.852 576 HD2 LYS 78 HD2 LYS 78 5.733 3.603 -6.353 577 HD3 LYS 78 HD1 LYS 78 5.323 3.225 -4.671 578 HE2 LYS 78 HE2 LYS 78 4.698 5.510 -5.121 579 HE3 LYS 78 HE1 LYS 78 6.069 5.422 -4.012 580 HZ1 LYS 78 HZ1 LYS 78 6.432 7.152 -5.553 581 HZ2 LYS 78 HZ2 LYS 78 6.215 6.115 -6.889 582 HZ3 LYS 78 HZ3 LYS 78 7.551 5.928 -5.878 583 H LEU 79 HN LEU 79 8.790 0.676 -2.474 584 HA LEU 79 HA LEU 79 9.017 2.930 -0.831 585 HB2 LEU 79 HB2 LEU 79 7.847 0.918 -0.139 586 HB3 LEU 79 HB1 LEU 79 9.347 0.018 -0.146 587 HG LEU 79 HG LEU 79 10.185 1.433 1.694 588 HD11 LEU 79 HD11 LEU 79 8.651 2.877 2.913 589 HD12 LEU 79 HD12 LEU 79 7.397 2.581 1.709 590 HD13 LEU 79 HD13 LEU 79 8.867 3.435 1.255 591 HD21 LEU 79 HD21 LEU 79 7.552 0.059 2.223 592 HD22 LEU 79 HD22 LEU 79 8.773 0.449 3.435 593 HD23 LEU 79 HD23 LEU 79 9.138 -0.710 2.160 594 H VAL 80 HN VAL 80 11.410 0.495 -1.751 595 HA VAL 80 HA VAL 80 13.429 1.238 0.065 596 HB VAL 80 HB VAL 80 13.323 -0.862 -1.362 597 HG11 VAL 80 HG11 VAL 80 14.496 0.888 -3.495 598 HG12 VAL 80 HG12 VAL 80 12.936 0.071 -3.532 599 HG13 VAL 80 HG13 VAL 80 14.421 -0.877 -3.535 600 HG21 VAL 80 HG21 VAL 80 15.233 -0.342 0.007 601 HG22 VAL 80 HG22 VAL 80 15.929 0.631 -1.302 602 HG23 VAL 80 HG23 VAL 80 15.722 -1.113 -1.499 603 H LYS 81 HN LYS 81 12.596 2.577 -3.073 604 HA LYS 81 HA LYS 81 14.951 4.155 -3.234 605 HB2 LYS 81 HB2 LYS 81 12.331 4.395 -4.676 606 HB3 LYS 81 HB1 LYS 81 13.724 5.420 -5.002 607 HG2 LYS 81 HG2 LYS 81 15.022 3.345 -5.455 608 HG3 LYS 81 HG1 LYS 81 13.503 2.457 -5.349 609 HD2 LYS 81 HD2 LYS 81 12.591 3.664 -7.186 610 HD3 LYS 81 HD1 LYS 81 13.963 4.774 -7.193 611 HE2 LYS 81 HE2 LYS 81 14.060 1.829 -7.800 612 HE3 LYS 81 HE1 LYS 81 14.205 3.142 -8.964 613 HZ1 LYS 81 HZ1 LYS 81 16.414 2.414 -8.431 614 HZ2 LYS 81 HZ2 LYS 81 16.079 2.489 -6.774 615 HZ3 LYS 81 HZ3 LYS 81 16.184 3.898 -7.648 616 H ILE 82 HN ILE 82 11.957 4.586 -1.658 617 HA ILE 82 HA ILE 82 12.142 7.430 -1.440 618 HB ILE 82 HB ILE 82 10.513 5.499 0.245 619 HG12 ILE 82 HG12 ILE 82 9.714 7.034 -2.227 620 HG13 ILE 82 HG11 ILE 82 10.105 5.320 -2.197 621 HG21 ILE 82 HG21 ILE 82 9.088 7.467 0.655 622 HG22 ILE 82 HG22 ILE 82 10.216 8.469 -0.261 623 HG23 ILE 82 HG23 ILE 82 10.728 7.720 1.255 624 HD11 ILE 82 HD11 ILE 82 7.717 5.671 -2.214 625 HD12 ILE 82 HD12 ILE 82 7.833 6.653 -0.752 626 HD13 ILE 82 HD13 ILE 82 8.218 4.933 -0.697 627 H ALA 83 HN ALA 83 12.978 4.653 0.500 628 HA ALA 83 HA ALA 83 13.928 6.263 2.695 629 HB1 ALA 83 HB1 ALA 83 14.225 3.300 2.200 630 HB2 ALA 83 HB2 ALA 83 12.920 4.064 3.102 631 HB3 ALA 83 HB3 ALA 83 14.576 4.138 3.712 632 H GLY 84 HN GLY 84 15.332 4.435 0.023 633 HA2 GLY 84 HA2 GLY 84 17.349 5.256 -0.982 634 HA3 GLY 84 HA1 GLY 84 17.950 5.600 0.644 635 H LEU 85 HN LEU 85 19.547 4.210 0.983 636 HA LEU 85 HA LEU 85 20.532 2.299 1.646 637 HB2 LEU 85 HB2 LEU 85 17.810 1.015 1.370 638 HB3 LEU 85 HB1 LEU 85 19.184 0.315 2.209 639 HG LEU 85 HG LEU 85 17.572 2.736 3.003 640 HD11 LEU 85 HD11 LEU 85 16.961 1.397 4.941 641 HD12 LEU 85 HD12 LEU 85 17.873 0.036 4.289 642 HD13 LEU 85 HD13 LEU 85 16.456 0.644 3.430 643 HD21 LEU 85 HD21 LEU 85 19.908 3.120 3.583 644 HD22 LEU 85 HD22 LEU 85 19.994 1.537 4.357 645 HD23 LEU 85 HD23 LEU 85 18.966 2.796 5.037 646 H GLU 86 HN GLU 86 18.182 1.088 -0.736 647 HA GLU 86 HA GLU 86 20.411 -0.148 -2.222 648 HB2 GLU 86 HB2 GLU 86 17.706 -1.334 -1.600 649 HB3 GLU 86 HB1 GLU 86 18.912 -2.055 -2.648 650 HG2 GLU 86 HG2 GLU 86 19.328 -1.511 0.278 651 HG3 GLU 86 HG1 GLU 86 18.770 -3.049 -0.378 652 H HIS 87 HN HIS 87 20.423 1.108 -4.032 653 HA HIS 87 HA HIS 87 19.877 1.929 -6.051 654 HB2 HIS 87 HB2 HIS 87 17.500 0.116 -5.773 655 HB3 HIS 87 HB1 HIS 87 17.643 1.209 -7.136 656 HD1 HIS 87 HD1 HIS 87 18.915 0.299 -9.124 657 HD2 HIS 87 HD2 HIS 87 19.742 -1.730 -5.597 658 HE1 HIS 87 HE1 HIS 87 20.273 -1.700 -9.775 659 H HIS 88 HN HIS 88 19.768 3.990 -5.771 660 HA HIS 88 HA HIS 88 17.339 5.236 -4.771 661 HB2 HIS 88 HB2 HIS 88 20.016 6.403 -5.578 662 HB3 HIS 88 HB1 HIS 88 18.678 7.328 -4.912 663 HD1 HIS 88 HD1 HIS 88 21.256 4.735 -3.923 664 HD2 HIS 88 HD2 HIS 88 18.472 7.284 -2.187 665 HE1 HIS 88 HE1 HIS 88 21.718 4.690 -1.448 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 10.301 12.847 6.028 2 H2 MET 1 HT2 MET 1 11.237 13.777 7.078 3 H3 MET 1 HT3 MET 1 9.679 13.261 7.521 4 HA MET 1 HA MET 1 11.882 11.435 6.925 5 HB2 MET 1 HB2 MET 1 10.746 12.273 9.621 6 HB3 MET 1 HB1 MET 1 11.810 10.901 9.396 7 HG2 MET 1 HG2 MET 1 13.574 12.367 8.619 8 HG3 MET 1 HG1 MET 1 12.507 13.760 8.771 9 HE1 MET 1 HE1 MET 1 12.046 14.060 12.623 10 HE2 MET 1 HE2 MET 1 10.989 13.153 11.549 11 HE3 MET 1 HE3 MET 1 11.637 14.715 11.039 12 H VAL 2 HN VAL 2 11.322 9.230 7.314 13 HA VAL 2 HA VAL 2 8.593 8.882 6.525 14 HB VAL 2 HB VAL 2 9.228 6.467 6.055 15 HG11 VAL 2 HG11 VAL 2 10.405 7.049 3.984 16 HG12 VAL 2 HG12 VAL 2 10.739 8.653 4.629 17 HG13 VAL 2 HG13 VAL 2 9.076 8.164 4.305 18 HG21 VAL 2 HG21 VAL 2 11.616 5.962 5.821 19 HG22 VAL 2 HG22 VAL 2 11.228 6.347 7.500 20 HG23 VAL 2 HG23 VAL 2 12.025 7.544 6.478 21 H THR 3 HN THR 3 7.494 9.251 8.400 22 HA THR 3 HA THR 3 7.708 7.179 10.420 23 HB THR 3 HB THR 3 7.218 9.426 11.275 24 HG1 THR 3 HG1 THR 3 5.032 7.612 11.538 25 HG21 THR 3 HG21 THR 3 5.077 10.576 10.777 26 HG22 THR 3 HG22 THR 3 4.701 9.328 9.586 27 HG23 THR 3 HG23 THR 3 6.080 10.395 9.340 28 H ALA 4 HN ALA 4 5.927 8.039 7.622 29 HA ALA 4 HA ALA 4 4.439 5.543 7.837 30 HB1 ALA 4 HB1 ALA 4 2.610 6.622 6.575 31 HB2 ALA 4 HB2 ALA 4 3.488 8.153 6.624 32 HB3 ALA 4 HB3 ALA 4 2.889 7.431 8.118 33 H ALA 5 HN ALA 5 5.710 4.350 6.606 34 HA ALA 5 HA ALA 5 7.228 5.178 4.397 35 HB1 ALA 5 HB1 ALA 5 7.677 3.109 5.629 36 HB2 ALA 5 HB2 ALA 5 7.439 2.763 3.914 37 HB3 ALA 5 HB3 ALA 5 6.153 2.429 5.066 38 H LEU 6 HN LEU 6 4.289 3.182 4.400 39 HA LEU 6 HA LEU 6 3.086 4.769 2.462 40 HB2 LEU 6 HB2 LEU 6 2.723 3.044 0.710 41 HB3 LEU 6 HB1 LEU 6 4.399 3.522 0.829 42 HG LEU 6 HG LEU 6 4.402 1.279 0.316 43 HD11 LEU 6 HD11 LEU 6 5.258 -0.004 2.179 44 HD12 LEU 6 HD12 LEU 6 4.837 1.350 3.240 45 HD13 LEU 6 HD13 LEU 6 6.004 1.575 1.943 46 HD21 LEU 6 HD21 LEU 6 3.079 -0.464 1.457 47 HD22 LEU 6 HD22 LEU 6 2.161 0.734 0.545 48 HD23 LEU 6 HD23 LEU 6 2.217 0.841 2.307 49 H THR 7 HN THR 7 1.024 4.661 2.433 50 HA THR 7 HA THR 7 -0.096 3.017 4.545 51 HB THR 7 HB THR 7 -1.137 5.584 3.307 52 HG1 THR 7 HG1 THR 7 -0.277 5.241 5.984 53 HG21 THR 7 HG21 THR 7 -2.116 4.021 5.699 54 HG22 THR 7 HG22 THR 7 -2.941 4.118 4.142 55 HG23 THR 7 HG23 THR 7 -2.771 5.563 5.144 56 H ILE 8 HN ILE 8 -1.350 1.497 4.053 57 HA ILE 8 HA ILE 8 -2.176 0.975 1.335 58 HB ILE 8 HB ILE 8 -2.258 -0.651 3.874 59 HG12 ILE 8 HG12 ILE 8 -0.661 -1.052 1.355 60 HG13 ILE 8 HG11 ILE 8 -0.020 -0.386 2.861 61 HG21 ILE 8 HG21 ILE 8 -4.134 -1.242 2.721 62 HG22 ILE 8 HG22 ILE 8 -2.954 -2.551 2.484 63 HG23 ILE 8 HG23 ILE 8 -3.295 -1.400 1.174 64 HD11 ILE 8 HD11 ILE 8 -1.115 -3.154 2.424 65 HD12 ILE 8 HD12 ILE 8 -0.527 -2.516 3.962 66 HD13 ILE 8 HD13 ILE 8 0.582 -2.705 2.604 67 H TYR 9 HN TYR 9 -4.087 1.471 0.652 68 HA TYR 9 HA TYR 9 -6.266 1.811 2.562 69 HB2 TYR 9 HB2 TYR 9 -5.928 2.829 -0.243 70 HB3 TYR 9 HB1 TYR 9 -7.396 3.014 0.707 71 HD1 TYR 9 HD1 TYR 9 -6.833 4.044 3.153 72 HD2 TYR 9 HD2 TYR 9 -4.601 4.653 -0.403 73 HE1 TYR 9 HE1 TYR 9 -5.989 6.137 4.066 74 HE2 TYR 9 HE2 TYR 9 -3.740 6.752 0.486 75 HH TYR 9 HH TYR 9 -4.078 7.638 3.766 76 H THR 10 HN THR 10 -7.365 0.094 2.817 77 HA THR 10 HA THR 10 -8.727 -1.085 0.656 78 HB THR 10 HB THR 10 -6.497 -2.321 0.553 79 HG1 THR 10 HG1 THR 10 -7.954 -3.653 -0.204 80 HG21 THR 10 HG21 THR 10 -5.946 -2.219 2.953 81 HG22 THR 10 HG22 THR 10 -5.917 -3.877 2.355 82 HG23 THR 10 HG23 THR 10 -7.290 -3.305 3.299 83 H THR 11 HN THR 11 -9.859 -3.136 1.868 84 HA THR 11 HA THR 11 -10.303 -2.359 4.609 85 HB THR 11 HB THR 11 -12.643 -3.464 3.148 86 HG1 THR 11 HG1 THR 11 -13.100 -1.521 2.236 87 HG21 THR 11 HG21 THR 11 -12.572 -3.046 5.570 88 HG22 THR 11 HG22 THR 11 -13.776 -2.058 4.748 89 HG23 THR 11 HG23 THR 11 -12.244 -1.343 5.243 90 H SER 12 HN SER 12 -10.754 -4.209 5.873 91 HA SER 12 HA SER 12 -9.464 -6.539 5.177 92 HB2 SER 12 HB2 SER 12 -11.512 -6.110 7.337 93 HB3 SER 12 HB1 SER 12 -10.338 -7.432 7.271 94 HG SER 12 HG SER 12 -9.814 -4.640 7.497 95 H TRP 13 HN TRP 13 -12.544 -5.713 4.033 96 HA TRP 13 HA TRP 13 -13.307 -8.487 3.661 97 HB2 TRP 13 HB2 TRP 13 -15.322 -7.449 2.409 98 HB3 TRP 13 HB1 TRP 13 -15.249 -7.303 4.152 99 HD1 TRP 13 HD1 TRP 13 -15.450 -4.978 5.123 100 HE1 TRP 13 HE1 TRP 13 -15.570 -2.605 4.229 101 HE3 TRP 13 HE3 TRP 13 -14.306 -5.908 0.218 102 HZ2 TRP 13 HZ2 TRP 13 -15.280 -1.264 1.741 103 HZ3 TRP 13 HZ3 TRP 13 -14.257 -4.013 -1.355 104 HH2 TRP 13 HH2 TRP 13 -14.737 -1.730 -0.604 105 H CYS 14 HN CYS 14 -11.249 -6.527 2.134 106 HA CYS 14 HA CYS 14 -11.901 -7.255 -0.577 107 HB2 CYS 14 HB2 CYS 14 -10.834 -5.101 -0.161 108 HB3 CYS 14 HB1 CYS 14 -9.487 -5.891 0.640 109 HG CYS 14 HG CYS 14 -10.116 -5.450 -2.613 110 H GLY 15 HN GLY 15 -10.873 -8.829 -1.786 111 HA2 GLY 15 HA2 GLY 15 -9.853 -11.058 -0.332 112 HA3 GLY 15 HA1 GLY 15 -10.002 -10.912 -2.080 113 H TYR 16 HN TYR 16 -8.465 -8.516 -2.265 114 HA TYR 16 HA TYR 16 -5.890 -9.752 -2.150 115 HB2 TYR 16 HB2 TYR 16 -6.769 -7.136 -3.295 116 HB3 TYR 16 HB1 TYR 16 -5.066 -7.586 -3.209 117 HD1 TYR 16 HD1 TYR 16 -5.008 -10.355 -3.917 118 HD2 TYR 16 HD2 TYR 16 -7.459 -7.265 -5.514 119 HE1 TYR 16 HE1 TYR 16 -5.214 -11.612 -5.999 120 HE2 TYR 16 HE2 TYR 16 -7.678 -8.532 -7.605 121 HH TYR 16 HH TYR 16 -6.704 -11.793 -7.871 122 H CYS 17 HN CYS 17 -7.575 -8.020 0.088 123 HA CYS 17 HA CYS 17 -5.605 -6.306 1.106 124 HB2 CYS 17 HB2 CYS 17 -7.828 -5.989 1.839 125 HB3 CYS 17 HB1 CYS 17 -7.969 -7.647 2.427 126 HG CYS 17 HG CYS 17 -7.542 -6.970 4.797 127 H LEU 18 HN LEU 18 -6.573 -9.511 2.461 128 HA LEU 18 HA LEU 18 -4.283 -9.647 4.125 129 HB2 LEU 18 HB2 LEU 18 -4.920 -11.884 4.710 130 HB3 LEU 18 HB1 LEU 18 -6.363 -10.908 4.637 131 HG LEU 18 HG LEU 18 -5.503 -12.820 2.456 132 HD11 LEU 18 HD11 LEU 18 -5.909 -14.050 4.468 133 HD12 LEU 18 HD12 LEU 18 -7.254 -14.292 3.349 134 HD13 LEU 18 HD13 LEU 18 -7.431 -13.201 4.723 135 HD21 LEU 18 HD21 LEU 18 -7.853 -12.650 1.737 136 HD22 LEU 18 HD22 LEU 18 -7.010 -11.112 1.646 137 HD23 LEU 18 HD23 LEU 18 -8.138 -11.420 2.975 138 H ARG 19 HN ARG 19 -4.919 -10.609 0.928 139 HA ARG 19 HA ARG 19 -2.883 -12.470 0.470 140 HB2 ARG 19 HB2 ARG 19 -4.759 -11.995 -1.084 141 HB3 ARG 19 HB1 ARG 19 -4.050 -10.430 -1.425 142 HG2 ARG 19 HG2 ARG 19 -3.600 -11.917 -3.262 143 HG3 ARG 19 HG1 ARG 19 -2.090 -11.581 -2.419 144 HD2 ARG 19 HD2 ARG 19 -3.737 -14.017 -1.824 145 HD3 ARG 19 HD1 ARG 19 -2.577 -14.001 -3.138 146 HE ARG 19 HE ARG 19 -0.928 -13.358 -1.330 147 HH11 ARG 19 HH11 ARG 19 -3.758 -15.314 -0.559 148 HH12 ARG 19 HH12 ARG 19 -2.926 -16.344 0.516 149 HH21 ARG 19 HH21 ARG 19 0.224 -14.809 0.118 150 HH22 ARG 19 HH22 ARG 19 -0.623 -16.072 0.885 151 H LEU 20 HN LEU 20 -3.029 -8.954 -0.023 152 HA LEU 20 HA LEU 20 -0.353 -8.685 -0.806 153 HB2 LEU 20 HB2 LEU 20 -2.137 -7.158 -1.483 154 HB3 LEU 20 HB1 LEU 20 -2.355 -6.670 0.173 155 HG LEU 20 HG LEU 20 -0.181 -5.681 0.214 156 HD11 LEU 20 HD11 LEU 20 -0.020 -6.468 -2.711 157 HD12 LEU 20 HD12 LEU 20 1.069 -6.987 -1.414 158 HD13 LEU 20 HD13 LEU 20 1.057 -5.313 -1.942 159 HD21 LEU 20 HD21 LEU 20 -2.053 -4.289 -0.369 160 HD22 LEU 20 HD22 LEU 20 -1.890 -4.744 -2.068 161 HD23 LEU 20 HD23 LEU 20 -0.628 -3.789 -1.287 162 H LYS 21 HN LYS 21 -2.029 -8.382 2.303 163 HA LYS 21 HA LYS 21 0.052 -7.269 3.843 164 HB2 LYS 21 HB2 LYS 21 -1.885 -9.413 4.795 165 HB3 LYS 21 HB1 LYS 21 -0.961 -8.339 5.818 166 HG2 LYS 21 HG2 LYS 21 -3.147 -7.492 3.929 167 HG3 LYS 21 HG1 LYS 21 -3.345 -7.726 5.664 168 HD2 LYS 21 HD2 LYS 21 -1.727 -5.889 6.047 169 HD3 LYS 21 HD1 LYS 21 -1.569 -5.693 4.305 170 HE2 LYS 21 HE2 LYS 21 -3.113 -4.027 5.178 171 HE3 LYS 21 HE1 LYS 21 -3.973 -5.167 4.140 172 HZ1 LYS 21 HZ1 LYS 21 -4.680 -6.307 6.277 173 HZ2 LYS 21 HZ2 LYS 21 -5.305 -4.774 6.056 174 HZ3 LYS 21 HZ3 LYS 21 -4.059 -4.982 7.119 175 H THR 22 HN THR 22 -0.593 -10.581 2.897 176 HA THR 22 HA THR 22 1.503 -11.805 4.334 177 HB THR 22 HB THR 22 0.166 -12.771 1.787 178 HG1 THR 22 HG1 THR 22 -1.418 -12.385 3.361 179 HG21 THR 22 HG21 THR 22 1.553 -14.276 4.023 180 HG22 THR 22 HG22 THR 22 2.200 -14.021 2.406 181 HG23 THR 22 HG23 THR 22 0.756 -15.010 2.630 182 H ALA 23 HN ALA 23 1.210 -10.745 0.939 183 HA ALA 23 HA ALA 23 3.711 -11.541 0.026 184 HB1 ALA 23 HB1 ALA 23 3.374 -9.974 -1.802 185 HB2 ALA 23 HB2 ALA 23 2.101 -9.162 -0.893 186 HB3 ALA 23 HB3 ALA 23 1.871 -10.824 -1.438 187 H LEU 24 HN LEU 24 2.735 -8.484 1.525 188 HA LEU 24 HA LEU 24 5.308 -7.284 1.238 189 HB2 LEU 24 HB2 LEU 24 3.132 -6.624 3.183 190 HB3 LEU 24 HB1 LEU 24 4.518 -5.617 2.883 191 HG LEU 24 HG LEU 24 2.171 -6.128 1.057 192 HD11 LEU 24 HD11 LEU 24 3.313 -3.691 2.378 193 HD12 LEU 24 HD12 LEU 24 1.801 -4.476 2.791 194 HD13 LEU 24 HD13 LEU 24 1.989 -3.637 1.235 195 HD21 LEU 24 HD21 LEU 24 3.224 -4.550 -0.524 196 HD22 LEU 24 HD22 LEU 24 4.092 -6.052 -0.431 197 HD23 LEU 24 HD23 LEU 24 4.706 -4.611 0.410 198 H THR 25 HN THR 25 3.831 -9.125 3.827 199 HA THR 25 HA THR 25 5.888 -8.657 5.693 200 HB THR 25 HB THR 25 3.930 -10.953 5.465 201 HG1 THR 25 HG1 THR 25 2.723 -9.215 5.833 202 HG21 THR 25 HG21 THR 25 5.832 -11.546 6.934 203 HG22 THR 25 HG22 THR 25 4.355 -11.338 7.869 204 HG23 THR 25 HG23 THR 25 5.577 -10.064 7.855 205 H ALA 26 HN ALA 26 5.476 -11.067 3.154 206 HA ALA 26 HA ALA 26 7.668 -12.719 3.865 207 HB1 ALA 26 HB1 ALA 26 5.846 -13.456 2.400 208 HB2 ALA 26 HB2 ALA 26 7.425 -13.670 1.647 209 HB3 ALA 26 HB3 ALA 26 6.395 -12.323 1.163 210 H ASN 27 HN ASN 27 7.481 -9.683 2.342 211 HA ASN 27 HA ASN 27 10.269 -9.870 1.420 212 HB2 ASN 27 HB2 ASN 27 8.001 -8.095 0.509 213 HB3 ASN 27 HB1 ASN 27 9.685 -7.790 0.093 214 HD21 ASN 27 HD21 ASN 27 6.957 -9.947 -0.371 215 HD22 ASN 27 HD22 ASN 27 7.605 -10.767 -1.732 216 H ARG 28 HN ARG 28 8.851 -9.260 4.041 217 HA ARG 28 HA ARG 28 8.849 -7.881 5.766 218 HB2 ARG 28 HB2 ARG 28 11.793 -7.977 5.129 219 HB3 ARG 28 HB1 ARG 28 11.142 -7.375 6.648 220 HG2 ARG 28 HG2 ARG 28 10.095 -9.554 7.060 221 HG3 ARG 28 HG1 ARG 28 10.767 -10.154 5.546 222 HD2 ARG 28 HD2 ARG 28 12.370 -9.144 7.891 223 HD3 ARG 28 HD1 ARG 28 12.064 -10.839 7.527 224 HE ARG 28 HE ARG 28 13.188 -9.674 5.275 225 HH11 ARG 28 HH11 ARG 28 14.134 -10.476 8.600 226 HH12 ARG 28 HH12 ARG 28 15.785 -10.642 8.245 227 HH21 ARG 28 HH21 ARG 28 15.523 -9.930 4.800 228 HH22 ARG 28 HH22 ARG 28 16.573 -10.326 6.086 229 H ILE 29 HN ILE 29 7.651 -6.421 4.463 230 HA ILE 29 HA ILE 29 9.008 -3.867 4.006 231 HB ILE 29 HB ILE 29 6.356 -4.924 3.030 232 HG12 ILE 29 HG12 ILE 29 8.874 -4.324 1.472 233 HG13 ILE 29 HG11 ILE 29 8.419 -5.932 2.034 234 HG21 ILE 29 HG21 ILE 29 7.729 -2.316 2.406 235 HG22 ILE 29 HG22 ILE 29 6.280 -2.498 3.373 236 HG23 ILE 29 HG23 ILE 29 6.239 -2.886 1.644 237 HD11 ILE 29 HD11 ILE 29 6.924 -4.202 0.090 238 HD12 ILE 29 HD12 ILE 29 6.409 -5.787 0.670 239 HD13 ILE 29 HD13 ILE 29 7.880 -5.641 -0.277 240 H ALA 30 HN ALA 30 8.583 -2.232 5.318 241 HA ALA 30 HA ALA 30 6.680 -2.454 7.469 242 HB1 ALA 30 HB1 ALA 30 8.852 -1.425 7.813 243 HB2 ALA 30 HB2 ALA 30 7.564 -0.231 8.066 244 HB3 ALA 30 HB3 ALA 30 8.489 -0.245 6.556 245 H TYR 31 HN TYR 31 4.610 -1.775 7.269 246 HA TYR 31 HA TYR 31 4.050 0.337 5.347 247 HB2 TYR 31 HB2 TYR 31 2.015 -0.873 4.585 248 HB3 TYR 31 HB1 TYR 31 3.522 -1.638 4.085 249 HD1 TYR 31 HD1 TYR 31 0.525 -1.890 6.171 250 HD2 TYR 31 HD2 TYR 31 4.107 -3.819 4.979 251 HE1 TYR 31 HE1 TYR 31 -0.331 -4.011 7.070 252 HE2 TYR 31 HE2 TYR 31 3.268 -5.955 5.879 253 HH TYR 31 HH TYR 31 1.664 -6.729 7.501 254 H ASP 32 HN ASP 32 1.846 1.182 5.584 255 HA ASP 32 HA ASP 32 0.926 1.059 8.354 256 HB2 ASP 32 HB2 ASP 32 1.938 3.243 7.956 257 HB3 ASP 32 HB1 ASP 32 1.063 3.412 6.444 258 H GLU 33 HN GLU 33 -1.186 0.416 8.483 259 HA GLU 33 HA GLU 33 -2.740 0.483 5.976 260 HB2 GLU 33 HB2 GLU 33 -3.773 -1.627 6.617 261 HB3 GLU 33 HB1 GLU 33 -2.038 -1.797 6.426 262 HG2 GLU 33 HG2 GLU 33 -1.744 -1.788 8.829 263 HG3 GLU 33 HG1 GLU 33 -3.468 -1.509 9.054 264 H VAL 34 HN VAL 34 -4.711 1.239 6.068 265 HA VAL 34 HA VAL 34 -6.059 1.401 8.609 266 HB VAL 34 HB VAL 34 -5.072 3.650 8.267 267 HG11 VAL 34 HG11 VAL 34 -4.811 3.633 5.849 268 HG12 VAL 34 HG12 VAL 34 -5.652 5.073 6.407 269 HG13 VAL 34 HG13 VAL 34 -6.565 3.769 5.664 270 HG21 VAL 34 HG21 VAL 34 -7.119 5.010 8.298 271 HG22 VAL 34 HG22 VAL 34 -7.212 3.592 9.347 272 HG23 VAL 34 HG23 VAL 34 -8.039 3.596 7.782 273 H ASP 35 HN ASP 35 -8.216 0.824 8.368 274 HA ASP 35 HA ASP 35 -8.908 -0.099 5.735 275 HB2 ASP 35 HB2 ASP 35 -10.528 -0.057 8.314 276 HB3 ASP 35 HB1 ASP 35 -11.172 -0.660 6.798 277 H ILE 36 HN ILE 36 -10.420 0.754 4.430 278 HA ILE 36 HA ILE 36 -10.262 3.605 4.473 279 HB ILE 36 HB ILE 36 -11.252 3.529 2.248 280 HG12 ILE 36 HG12 ILE 36 -11.527 0.595 2.896 281 HG13 ILE 36 HG11 ILE 36 -12.814 1.723 2.506 282 HG21 ILE 36 HG21 ILE 36 -9.422 2.107 1.267 283 HG22 ILE 36 HG22 ILE 36 -9.029 1.621 2.914 284 HG23 ILE 36 HG23 ILE 36 -8.898 3.313 2.441 285 HD11 ILE 36 HD11 ILE 36 -12.396 0.266 0.696 286 HD12 ILE 36 HD12 ILE 36 -10.685 0.681 0.704 287 HD13 ILE 36 HD13 ILE 36 -11.897 1.907 0.235 288 H GLU 37 HN GLU 37 -12.773 1.381 5.202 289 HA GLU 37 HA GLU 37 -14.883 3.172 4.696 290 HB2 GLU 37 HB2 GLU 37 -16.291 1.574 6.002 291 HB3 GLU 37 HB1 GLU 37 -15.394 0.848 4.677 292 HG2 GLU 37 HG2 GLU 37 -13.797 -0.083 6.205 293 HG3 GLU 37 HG1 GLU 37 -14.530 0.787 7.552 294 H HIS 38 HN HIS 38 -12.571 3.252 7.018 295 HA HIS 38 HA HIS 38 -14.254 4.353 9.123 296 HB2 HIS 38 HB2 HIS 38 -11.294 3.727 9.065 297 HB3 HIS 38 HB1 HIS 38 -12.127 4.475 10.423 298 HD1 HIS 38 HD1 HIS 38 -12.738 2.838 12.195 299 HD2 HIS 38 HD2 HIS 38 -12.593 1.083 8.438 300 HE1 HIS 38 HE1 HIS 38 -13.242 0.389 12.544 301 H ASN 39 HN ASN 39 -12.148 5.395 6.564 302 HA ASN 39 HA ASN 39 -12.284 8.111 7.663 303 HB2 ASN 39 HB2 ASN 39 -9.958 6.904 6.131 304 HB3 ASN 39 HB1 ASN 39 -10.109 8.615 6.477 305 HD21 ASN 39 HD21 ASN 39 -7.918 7.020 7.231 306 HD22 ASN 39 HD22 ASN 39 -7.864 6.960 8.944 307 H ARG 40 HN ARG 40 -13.694 9.159 6.541 308 HA ARG 40 HA ARG 40 -14.845 8.587 4.114 309 HB2 ARG 40 HB2 ARG 40 -15.805 10.148 5.684 310 HB3 ARG 40 HB1 ARG 40 -14.460 11.252 5.457 311 HG2 ARG 40 HG2 ARG 40 -15.151 11.535 3.101 312 HG3 ARG 40 HG1 ARG 40 -16.550 10.515 3.440 313 HD2 ARG 40 HD2 ARG 40 -17.326 12.091 5.109 314 HD3 ARG 40 HD1 ARG 40 -15.894 13.090 4.850 315 HE ARG 40 HE ARG 40 -17.466 12.568 2.515 316 HH11 ARG 40 HH11 ARG 40 -16.883 14.792 5.220 317 HH12 ARG 40 HH12 ARG 40 -17.604 16.136 4.484 318 HH21 ARG 40 HH21 ARG 40 -18.462 14.457 1.463 319 HH22 ARG 40 HH22 ARG 40 -18.539 15.938 2.272 320 H ALA 41 HN ALA 41 -12.173 10.834 4.730 321 HA ALA 41 HA ALA 41 -11.911 11.828 2.142 322 HB1 ALA 41 HB1 ALA 41 -9.799 11.588 4.280 323 HB2 ALA 41 HB2 ALA 41 -10.946 12.914 4.110 324 HB3 ALA 41 HB3 ALA 41 -9.725 12.640 2.867 325 H ALA 42 HN ALA 42 -10.486 9.117 3.806 326 HA ALA 42 HA ALA 42 -8.573 8.502 1.794 327 HB1 ALA 42 HB1 ALA 42 -8.268 7.839 4.135 328 HB2 ALA 42 HB2 ALA 42 -8.187 6.466 3.031 329 HB3 ALA 42 HB3 ALA 42 -9.645 6.738 3.987 330 H ALA 43 HN ALA 43 -11.760 7.269 2.670 331 HA ALA 43 HA ALA 43 -11.904 5.137 0.883 332 HB1 ALA 43 HB1 ALA 43 -14.304 5.197 1.241 333 HB2 ALA 43 HB2 ALA 43 -14.172 6.815 1.938 334 HB3 ALA 43 HB3 ALA 43 -13.439 5.438 2.759 335 H GLU 44 HN GLU 44 -12.688 8.544 0.375 336 HA GLU 44 HA GLU 44 -13.822 7.983 -2.203 337 HB2 GLU 44 HB2 GLU 44 -14.213 10.305 -2.410 338 HB3 GLU 44 HB1 GLU 44 -14.382 9.971 -0.695 339 HG2 GLU 44 HG2 GLU 44 -12.069 10.773 -0.380 340 HG3 GLU 44 HG1 GLU 44 -12.052 11.229 -2.067 341 H PHE 45 HN PHE 45 -10.736 8.955 -0.934 342 HA PHE 45 HA PHE 45 -9.429 9.681 -3.295 343 HB2 PHE 45 HB2 PHE 45 -8.557 10.259 -1.111 344 HB3 PHE 45 HB1 PHE 45 -8.394 8.562 -0.688 345 HD1 PHE 45 HD2 PHE 45 -7.156 11.141 -3.045 346 HD2 PHE 45 HD1 PHE 45 -6.387 7.442 -1.073 347 HE1 PHE 45 HE2 PHE 45 -4.835 11.174 -3.870 348 HE2 PHE 45 HE1 PHE 45 -4.090 7.488 -1.884 349 HZ PHE 45 HZ PHE 45 -3.306 9.352 -3.283 350 H VAL 46 HN VAL 46 -9.269 6.650 -1.471 351 HA VAL 46 HA VAL 46 -7.795 5.281 -3.439 352 HB VAL 46 HB VAL 46 -7.710 4.441 -1.171 353 HG11 VAL 46 HG11 VAL 46 -9.919 5.075 -0.441 354 HG12 VAL 46 HG12 VAL 46 -9.542 3.364 -0.147 355 HG13 VAL 46 HG13 VAL 46 -10.606 3.811 -1.496 356 HG21 VAL 46 HG21 VAL 46 -8.035 2.132 -1.460 357 HG22 VAL 46 HG22 VAL 46 -7.570 2.821 -3.042 358 HG23 VAL 46 HG23 VAL 46 -9.259 2.425 -2.692 359 H GLY 47 HN GLY 47 -11.223 5.701 -3.011 360 HA2 GLY 47 HA2 GLY 47 -12.076 3.670 -4.796 361 HA3 GLY 47 HA1 GLY 47 -13.001 5.075 -4.294 362 H SER 48 HN SER 48 -10.986 6.940 -5.296 363 HA SER 48 HA SER 48 -11.995 7.068 -7.987 364 HB2 SER 48 HB2 SER 48 -10.065 8.905 -6.555 365 HB3 SER 48 HB1 SER 48 -10.930 9.259 -8.056 366 HG SER 48 HG SER 48 -11.925 9.027 -5.425 367 H VAL 49 HN VAL 49 -8.932 6.406 -6.417 368 HA VAL 49 HA VAL 49 -7.541 6.198 -8.969 369 HB VAL 49 HB VAL 49 -5.516 5.801 -7.615 370 HG11 VAL 49 HG11 VAL 49 -5.440 7.965 -6.459 371 HG12 VAL 49 HG12 VAL 49 -7.199 8.074 -6.628 372 HG13 VAL 49 HG13 VAL 49 -6.174 8.094 -8.068 373 HG21 VAL 49 HG21 VAL 49 -6.558 4.551 -5.782 374 HG22 VAL 49 HG22 VAL 49 -7.364 6.030 -5.253 375 HG23 VAL 49 HG23 VAL 49 -5.604 5.914 -5.175 376 H ASN 50 HN ASN 50 -9.614 4.327 -7.622 377 HA ASN 50 HA ASN 50 -8.167 1.823 -7.553 378 HB2 ASN 50 HB2 ASN 50 -10.547 2.801 -6.373 379 HB3 ASN 50 HB1 ASN 50 -11.044 1.515 -7.463 380 HD21 ASN 50 HD21 ASN 50 -8.057 1.787 -5.613 381 HD22 ASN 50 HD22 ASN 50 -8.359 0.367 -4.679 382 H GLY 51 HN GLY 51 -9.674 -0.013 -8.692 383 HA2 GLY 51 HA2 GLY 51 -9.953 0.721 -11.479 384 HA3 GLY 51 HA1 GLY 51 -10.089 -0.906 -10.793 385 H GLY 52 HN GLY 52 -11.695 2.166 -11.110 386 HA2 GLY 52 HA2 GLY 52 -14.008 2.367 -11.627 387 HA3 GLY 52 HA1 GLY 52 -14.283 0.803 -10.858 388 H ASN 53 HN ASN 53 -14.607 0.681 -8.709 389 HA ASN 53 HA ASN 53 -14.520 3.152 -7.091 390 HB2 ASN 53 HB2 ASN 53 -16.622 0.945 -6.929 391 HB3 ASN 53 HB1 ASN 53 -16.548 2.367 -5.920 392 HD21 ASN 53 HD21 ASN 53 -16.188 4.349 -8.108 393 HD22 ASN 53 HD22 ASN 53 -17.674 4.318 -8.954 394 H ARG 54 HN ARG 54 -14.955 2.170 -4.692 395 HA ARG 54 HA ARG 54 -12.562 0.970 -3.905 396 HB2 ARG 54 HB2 ARG 54 -15.191 1.067 -2.519 397 HB3 ARG 54 HB1 ARG 54 -13.858 0.156 -1.836 398 HG2 ARG 54 HG2 ARG 54 -13.792 2.142 -0.771 399 HG3 ARG 54 HG1 ARG 54 -12.559 2.247 -2.036 400 HD2 ARG 54 HD2 ARG 54 -13.822 4.349 -1.914 401 HD3 ARG 54 HD1 ARG 54 -14.116 3.497 -3.438 402 HE ARG 54 HE ARG 54 -16.170 2.635 -2.110 403 HH11 ARG 54 HH11 ARG 54 -14.888 5.929 -1.865 404 HH12 ARG 54 HH12 ARG 54 -16.423 6.652 -1.666 405 HH21 ARG 54 HH21 ARG 54 -18.260 3.614 -1.830 406 HH22 ARG 54 HH22 ARG 54 -18.370 5.298 -1.638 407 H THR 55 HN THR 55 -11.816 -0.912 -4.449 408 HA THR 55 HA THR 55 -13.233 -3.039 -3.416 409 HB THR 55 HB THR 55 -14.416 -3.077 -5.510 410 HG1 THR 55 HG1 THR 55 -13.742 -5.157 -4.702 411 HG21 THR 55 HG21 THR 55 -13.297 -3.335 -7.694 412 HG22 THR 55 HG22 THR 55 -11.729 -3.188 -6.897 413 HG23 THR 55 HG23 THR 55 -12.850 -1.827 -6.898 414 H VAL 56 HN VAL 56 -10.399 -1.836 -5.104 415 HA VAL 56 HA VAL 56 -8.919 -4.148 -4.130 416 HB VAL 56 HB VAL 56 -7.164 -3.483 -5.835 417 HG11 VAL 56 HG11 VAL 56 -9.861 -4.462 -6.819 418 HG12 VAL 56 HG12 VAL 56 -8.593 -5.464 -6.114 419 HG13 VAL 56 HG13 VAL 56 -8.339 -4.688 -7.677 420 HG21 VAL 56 HG21 VAL 56 -7.981 -1.282 -6.402 421 HG22 VAL 56 HG22 VAL 56 -9.486 -1.979 -7.011 422 HG23 VAL 56 HG23 VAL 56 -7.961 -2.314 -7.834 423 HA PRO 57 HA PRO 57 -6.543 -1.614 -1.471 424 HB2 PRO 57 HB2 PRO 57 -4.123 -2.903 -1.539 425 HB3 PRO 57 HB1 PRO 57 -5.523 -3.547 -0.687 426 HG2 PRO 57 HG2 PRO 57 -4.525 -4.223 -3.422 427 HG3 PRO 57 HG1 PRO 57 -5.050 -5.311 -2.118 428 HD2 PRO 57 HD2 PRO 57 -6.651 -4.687 -4.168 429 HD3 PRO 57 HD1 PRO 57 -7.293 -4.899 -2.526 430 H THR 58 HN THR 58 -5.367 0.197 -1.655 431 HA THR 58 HA THR 58 -3.714 0.519 -4.033 432 HB THR 58 HB THR 58 -5.378 2.710 -2.728 433 HG1 THR 58 HG1 THR 58 -6.158 0.688 -4.109 434 HG21 THR 58 HG21 THR 58 -4.915 3.979 -4.681 435 HG22 THR 58 HG22 THR 58 -4.186 2.616 -5.490 436 HG23 THR 58 HG23 THR 58 -3.342 3.388 -4.118 437 H VAL 59 HN VAL 59 -1.694 1.572 -3.512 438 HA VAL 59 HA VAL 59 -1.287 2.052 -0.643 439 HB VAL 59 HB VAL 59 1.139 1.733 -1.062 440 HG11 VAL 59 HG11 VAL 59 -0.604 -0.533 -1.991 441 HG12 VAL 59 HG12 VAL 59 -0.138 -0.164 -0.318 442 HG13 VAL 59 HG13 VAL 59 1.080 -0.686 -1.480 443 HG21 VAL 59 HG21 VAL 59 0.267 0.954 -3.827 444 HG22 VAL 59 HG22 VAL 59 1.904 0.792 -3.175 445 HG23 VAL 59 HG23 VAL 59 1.195 2.393 -3.401 446 H LYS 60 HN LYS 60 -0.627 3.981 0.059 447 HA LYS 60 HA LYS 60 0.103 6.010 -1.955 448 HB2 LYS 60 HB2 LYS 60 -2.049 6.389 -0.576 449 HB3 LYS 60 HB1 LYS 60 -0.982 6.537 0.802 450 HG2 LYS 60 HG2 LYS 60 0.184 8.415 -0.285 451 HG3 LYS 60 HG1 LYS 60 -0.942 8.315 -1.635 452 HD2 LYS 60 HD2 LYS 60 -1.738 10.044 -0.226 453 HD3 LYS 60 HD1 LYS 60 -2.801 8.666 0.048 454 HE2 LYS 60 HE2 LYS 60 -1.382 8.097 2.056 455 HE3 LYS 60 HE1 LYS 60 -0.535 9.622 1.773 456 HZ1 LYS 60 HZ1 LYS 60 -2.259 9.928 3.427 457 HZ2 LYS 60 HZ2 LYS 60 -3.405 9.273 2.412 458 HZ3 LYS 60 HZ3 LYS 60 -2.723 10.757 2.028 459 H PHE 61 HN PHE 61 2.190 6.370 -1.836 460 HA PHE 61 HA PHE 61 3.725 5.569 0.513 461 HB2 PHE 61 HB2 PHE 61 4.614 6.803 -2.083 462 HB3 PHE 61 HB1 PHE 61 5.676 6.188 -0.821 463 HD1 PHE 61 HD1 PHE 61 3.253 5.303 -3.409 464 HD2 PHE 61 HD2 PHE 61 6.149 3.813 -0.654 465 HE1 PHE 61 HE1 PHE 61 3.208 3.152 -4.530 466 HE2 PHE 61 HE2 PHE 61 6.101 1.651 -1.782 467 HZ PHE 61 HZ PHE 61 4.636 1.310 -3.729 468 H ALA 62 HN ALA 62 5.360 7.030 1.421 469 HA ALA 62 HA ALA 62 4.408 9.592 2.150 470 HB1 ALA 62 HB1 ALA 62 6.046 8.335 3.488 471 HB2 ALA 62 HB2 ALA 62 6.658 9.937 3.084 472 HB3 ALA 62 HB3 ALA 62 7.241 8.524 2.205 473 H ASP 63 HN ASP 63 5.789 8.449 -0.582 474 HA ASP 63 HA ASP 63 7.048 10.725 -1.758 475 HB2 ASP 63 HB2 ASP 63 7.573 8.479 -2.496 476 HB3 ASP 63 HB1 ASP 63 5.891 8.165 -2.874 477 H GLY 64 HN GLY 64 3.785 9.729 -1.221 478 HA2 GLY 64 HA2 GLY 64 1.933 11.093 -1.416 479 HA3 GLY 64 HA1 GLY 64 2.775 12.074 -2.614 480 H SER 65 HN SER 65 3.532 9.465 -3.924 481 HA SER 65 HA SER 65 1.350 9.444 -5.766 482 HB2 SER 65 HB2 SER 65 3.807 7.717 -5.680 483 HB3 SER 65 HB1 SER 65 2.738 7.979 -7.059 484 HG SER 65 HG SER 65 4.779 9.498 -6.085 485 H THR 66 HN THR 66 0.046 7.741 -6.275 486 HA THR 66 HA THR 66 -0.114 5.523 -4.395 487 HB THR 66 HB THR 66 -2.447 5.372 -5.541 488 HG1 THR 66 HG1 THR 66 -2.687 6.920 -6.941 489 HG21 THR 66 HG21 THR 66 -3.398 6.852 -3.836 490 HG22 THR 66 HG22 THR 66 -1.772 7.471 -3.492 491 HG23 THR 66 HG23 THR 66 -2.167 5.764 -3.208 492 H LEU 67 HN LEU 67 -0.444 3.513 -5.227 493 HA LEU 67 HA LEU 67 -0.507 3.183 -8.121 494 HB2 LEU 67 HB2 LEU 67 1.218 1.526 -6.236 495 HB3 LEU 67 HB1 LEU 67 0.935 1.156 -7.915 496 HG LEU 67 HG LEU 67 2.456 3.556 -6.873 497 HD11 LEU 67 HD11 LEU 67 3.442 1.095 -8.311 498 HD12 LEU 67 HD12 LEU 67 3.603 1.357 -6.588 499 HD13 LEU 67 HD13 LEU 67 4.428 2.432 -7.722 500 HD21 LEU 67 HD21 LEU 67 2.007 2.582 -9.700 501 HD22 LEU 67 HD22 LEU 67 3.075 3.900 -9.221 502 HD23 LEU 67 HD23 LEU 67 1.336 4.053 -8.993 503 H THR 68 HN THR 68 -2.229 2.038 -8.630 504 HA THR 68 HA THR 68 -3.966 0.825 -6.780 505 HB THR 68 HB THR 68 -3.720 0.241 -9.756 506 HG1 THR 68 HG1 THR 68 -5.338 2.316 -8.658 507 HG21 THR 68 HG21 THR 68 -6.162 -0.050 -9.613 508 HG22 THR 68 HG22 THR 68 -6.114 0.339 -7.895 509 HG23 THR 68 HG23 THR 68 -5.350 -1.137 -8.484 510 H ASN 69 HN ASN 69 -4.254 -1.444 -6.371 511 HA ASN 69 HA ASN 69 -2.703 -2.960 -5.217 512 HB2 ASN 69 HB2 ASN 69 -4.820 -3.813 -5.891 513 HB3 ASN 69 HB1 ASN 69 -4.221 -4.202 -7.507 514 HD21 ASN 69 HD21 ASN 69 -4.766 -6.392 -7.249 515 HD22 ASN 69 HD22 ASN 69 -3.837 -7.422 -6.212 516 HA PRO 70 HA PRO 70 1.010 -3.659 -7.695 517 HB2 PRO 70 HB2 PRO 70 2.652 -2.399 -5.982 518 HB3 PRO 70 HB1 PRO 70 1.727 -1.543 -7.216 519 HG2 PRO 70 HG2 PRO 70 1.393 -1.466 -4.323 520 HG3 PRO 70 HG1 PRO 70 0.635 -0.447 -5.557 521 HD2 PRO 70 HD2 PRO 70 -0.416 -2.807 -4.165 522 HD3 PRO 70 HD1 PRO 70 -1.269 -1.555 -5.094 523 H SER 71 HN SER 71 2.581 -5.109 -7.419 524 HA SER 71 HA SER 71 2.289 -7.001 -5.292 525 HB2 SER 71 HB2 SER 71 4.497 -6.847 -7.351 526 HB3 SER 71 HB1 SER 71 3.880 -8.275 -6.523 527 HG SER 71 HG SER 71 2.645 -6.694 -8.492 528 H ALA 72 HN ALA 72 4.378 -7.700 -4.143 529 HA ALA 72 HA ALA 72 5.242 -5.591 -2.505 530 HB1 ALA 72 HB1 ALA 72 5.093 -7.895 -1.752 531 HB2 ALA 72 HB2 ALA 72 6.693 -7.217 -1.463 532 HB3 ALA 72 HB3 ALA 72 6.439 -8.338 -2.805 533 H ASP 73 HN ASP 73 6.809 -7.063 -5.288 534 HA ASP 73 HA ASP 73 9.296 -5.708 -4.914 535 HB2 ASP 73 HB2 ASP 73 9.032 -7.700 -6.395 536 HB3 ASP 73 HB1 ASP 73 8.103 -6.708 -7.507 537 H GLU 74 HN GLU 74 6.301 -4.898 -6.436 538 HA GLU 74 HA GLU 74 7.257 -2.674 -7.936 539 HB2 GLU 74 HB2 GLU 74 4.418 -3.317 -7.125 540 HB3 GLU 74 HB1 GLU 74 4.918 -2.236 -8.422 541 HG2 GLU 74 HG2 GLU 74 5.973 -4.154 -9.551 542 HG3 GLU 74 HG1 GLU 74 5.342 -5.208 -8.301 543 H VAL 75 HN VAL 75 5.810 -3.091 -4.769 544 HA VAL 75 HA VAL 75 5.738 -0.264 -4.362 545 HB VAL 75 HB VAL 75 5.217 -0.834 -1.907 546 HG11 VAL 75 HG11 VAL 75 3.494 -0.334 -3.598 547 HG12 VAL 75 HG12 VAL 75 2.953 -1.534 -2.418 548 HG13 VAL 75 HG13 VAL 75 3.466 -2.044 -4.024 549 HG21 VAL 75 HG21 VAL 75 4.538 -3.096 -1.425 550 HG22 VAL 75 HG22 VAL 75 6.226 -3.117 -1.978 551 HG23 VAL 75 HG23 VAL 75 4.908 -3.559 -3.076 552 H LYS 76 HN LYS 76 7.985 -2.821 -3.554 553 HA LYS 76 HA LYS 76 9.620 -1.305 -1.838 554 HB2 LYS 76 HB2 LYS 76 10.296 -3.670 -3.590 555 HB3 LYS 76 HB1 LYS 76 11.422 -2.972 -2.426 556 HG2 LYS 76 HG2 LYS 76 9.966 -3.554 -0.608 557 HG3 LYS 76 HG1 LYS 76 8.710 -4.068 -1.730 558 HD2 LYS 76 HD2 LYS 76 9.710 -6.068 -0.986 559 HD3 LYS 76 HD1 LYS 76 10.394 -5.790 -2.579 560 HE2 LYS 76 HE2 LYS 76 12.141 -6.491 -1.124 561 HE3 LYS 76 HE1 LYS 76 12.381 -4.777 -1.453 562 HZ1 LYS 76 HZ1 LYS 76 11.440 -4.279 0.750 563 HZ2 LYS 76 HZ2 LYS 76 12.758 -5.280 0.804 564 HZ3 LYS 76 HZ3 LYS 76 11.241 -5.944 1.060 565 H ALA 77 HN ALA 77 9.462 -1.569 -5.314 566 HA ALA 77 HA ALA 77 11.811 -0.370 -6.113 567 HB1 ALA 77 HB1 ALA 77 10.657 0.225 -8.167 568 HB2 ALA 77 HB2 ALA 77 9.100 -0.025 -7.381 569 HB3 ALA 77 HB3 ALA 77 10.182 -1.394 -7.642 570 H LYS 78 HN LYS 78 8.822 1.201 -5.093 571 HA LYS 78 HA LYS 78 10.024 3.806 -5.411 572 HB2 LYS 78 HB2 LYS 78 7.333 2.879 -4.627 573 HB3 LYS 78 HB1 LYS 78 7.869 4.392 -3.923 574 HG2 LYS 78 HG2 LYS 78 8.341 5.206 -6.236 575 HG3 LYS 78 HG1 LYS 78 7.574 3.733 -6.838 576 HD2 LYS 78 HD2 LYS 78 5.502 4.302 -5.799 577 HD3 LYS 78 HD1 LYS 78 6.239 5.665 -4.954 578 HE2 LYS 78 HE2 LYS 78 6.031 5.406 -7.933 579 HE3 LYS 78 HE1 LYS 78 4.868 6.278 -6.920 580 HZ1 LYS 78 HZ1 LYS 78 6.491 7.738 -7.969 581 HZ2 LYS 78 HZ2 LYS 78 7.768 6.976 -7.206 582 HZ3 LYS 78 HZ3 LYS 78 6.613 7.839 -6.300 583 H LEU 79 HN LEU 79 8.975 1.760 -2.770 584 HA LEU 79 HA LEU 79 9.402 3.424 -0.632 585 HB2 LEU 79 HB2 LEU 79 8.198 1.355 -0.465 586 HB3 LEU 79 HB1 LEU 79 9.645 0.445 -0.837 587 HG LEU 79 HG LEU 79 10.632 1.105 1.251 588 HD11 LEU 79 HD11 LEU 79 9.266 2.217 2.987 589 HD12 LEU 79 HD12 LEU 79 7.997 2.489 1.787 590 HD13 LEU 79 HD13 LEU 79 9.571 3.263 1.604 591 HD21 LEU 79 HD21 LEU 79 9.182 -0.188 2.735 592 HD22 LEU 79 HD22 LEU 79 9.391 -0.942 1.152 593 HD23 LEU 79 HD23 LEU 79 7.895 -0.080 1.532 594 H VAL 80 HN VAL 80 11.773 1.414 -2.292 595 HA VAL 80 HA VAL 80 13.805 1.654 -0.395 596 HB VAL 80 HB VAL 80 13.870 -0.026 -2.213 597 HG11 VAL 80 HG11 VAL 80 14.586 0.553 -4.471 598 HG12 VAL 80 HG12 VAL 80 14.516 2.265 -4.052 599 HG13 VAL 80 HG13 VAL 80 13.039 1.301 -4.066 600 HG21 VAL 80 HG21 VAL 80 15.887 0.555 -1.040 601 HG22 VAL 80 HG22 VAL 80 16.236 1.814 -2.229 602 HG23 VAL 80 HG23 VAL 80 16.241 0.115 -2.719 603 H LYS 81 HN LYS 81 12.873 3.792 -3.014 604 HA LYS 81 HA LYS 81 15.221 5.457 -2.762 605 HB2 LYS 81 HB2 LYS 81 12.642 6.002 -4.222 606 HB3 LYS 81 HB1 LYS 81 14.145 6.883 -4.408 607 HG2 LYS 81 HG2 LYS 81 15.190 4.858 -5.336 608 HG3 LYS 81 HG1 LYS 81 13.642 4.016 -5.183 609 HD2 LYS 81 HD2 LYS 81 12.614 5.773 -6.629 610 HD3 LYS 81 HD1 LYS 81 14.219 6.451 -6.850 611 HE2 LYS 81 HE2 LYS 81 14.981 4.386 -7.866 612 HE3 LYS 81 HE1 LYS 81 13.396 3.658 -7.617 613 HZ1 LYS 81 HZ1 LYS 81 12.438 5.319 -9.072 614 HZ2 LYS 81 HZ2 LYS 81 13.655 4.491 -9.893 615 HZ3 LYS 81 HZ3 LYS 81 13.929 6.045 -9.313 616 H ILE 82 HN ILE 82 12.096 5.247 -1.443 617 HA ILE 82 HA ILE 82 11.870 8.010 -0.680 618 HB ILE 82 HB ILE 82 10.208 5.622 0.181 619 HG12 ILE 82 HG12 ILE 82 9.641 7.680 -1.973 620 HG13 ILE 82 HG11 ILE 82 10.247 6.055 -2.275 621 HG21 ILE 82 HG21 ILE 82 8.504 7.295 0.786 622 HG22 ILE 82 HG22 ILE 82 9.623 8.589 0.363 623 HG23 ILE 82 HG23 ILE 82 9.984 7.522 1.721 624 HD11 ILE 82 HD11 ILE 82 8.200 5.119 -1.354 625 HD12 ILE 82 HD12 ILE 82 7.866 6.225 -2.687 626 HD13 ILE 82 HD13 ILE 82 7.618 6.751 -1.020 627 H ALA 83 HN ALA 83 12.440 4.944 1.040 628 HA ALA 83 HA ALA 83 12.890 6.436 3.503 629 HB1 ALA 83 HB1 ALA 83 12.866 4.302 4.619 630 HB2 ALA 83 HB2 ALA 83 12.876 3.472 3.071 631 HB3 ALA 83 HB3 ALA 83 11.466 4.439 3.546 632 H GLY 84 HN GLY 84 14.728 4.572 1.142 633 HA2 GLY 84 HA2 GLY 84 17.019 4.483 0.914 634 HA3 GLY 84 HA1 GLY 84 17.184 5.411 2.404 635 H LEU 85 HN LEU 85 16.818 2.242 1.055 636 HA LEU 85 HA LEU 85 17.470 1.102 3.685 637 HB2 LEU 85 HB2 LEU 85 15.509 -0.136 1.723 638 HB3 LEU 85 HB1 LEU 85 16.005 -0.792 3.260 639 HG LEU 85 HG LEU 85 14.532 1.816 3.025 640 HD11 LEU 85 HD11 LEU 85 13.426 -0.951 3.456 641 HD12 LEU 85 HD12 LEU 85 13.248 0.024 2.000 642 HD13 LEU 85 HD13 LEU 85 12.505 0.560 3.513 643 HD21 LEU 85 HD21 LEU 85 13.985 1.356 5.366 644 HD22 LEU 85 HD22 LEU 85 15.730 1.421 5.125 645 HD23 LEU 85 HD23 LEU 85 14.922 -0.137 5.297 646 H GLU 86 HN GLU 86 16.808 -0.438 0.621 647 HA GLU 86 HA GLU 86 17.846 -2.084 -0.489 648 HB2 GLU 86 HB2 GLU 86 18.557 0.031 -1.607 649 HB3 GLU 86 HB1 GLU 86 20.054 -0.035 -0.690 650 HG2 GLU 86 HG2 GLU 86 20.380 -0.888 -2.941 651 HG3 GLU 86 HG1 GLU 86 20.602 -2.176 -1.757 652 H HIS 87 HN HIS 87 17.958 -3.632 0.775 653 HA HIS 87 HA HIS 87 20.383 -4.902 1.147 654 HB2 HIS 87 HB2 HIS 87 20.521 -5.094 3.626 655 HB3 HIS 87 HB1 HIS 87 20.679 -3.417 3.153 656 HD1 HIS 87 HD1 HIS 87 18.699 -5.680 5.280 657 HD2 HIS 87 HD2 HIS 87 18.343 -1.828 3.762 658 HE1 HIS 87 HE1 HIS 87 16.907 -4.554 6.646 659 H HIS 88 HN HIS 88 17.095 -4.511 2.353 660 HA HIS 88 HA HIS 88 16.288 -6.884 1.101 661 HB2 HIS 88 HB2 HIS 88 17.075 -7.745 3.328 662 HB3 HIS 88 HB1 HIS 88 15.950 -6.640 4.114 663 HD1 HIS 88 HD1 HIS 88 16.132 -9.965 2.450 664 HD2 HIS 88 HD2 HIS 88 13.207 -7.300 3.718 665 HE1 HIS 88 HE1 HIS 88 13.967 -11.247 2.435
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