NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
584866 | 2mvc | 25260 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 3H0 GLY 1 3.401 0.471 -1.183 2 H2 GLY 1 2H0 GLY 1 3.093 1.029 0.340 3 H3 GLY 1 1H0 GLY 1 1.923 0.216 -0.493 4 HA2 GLY 1 1HA GLY 1 1.468 2.573 -0.474 5 HA3 GLY 1 2HA GLY 1 3.049 2.830 -1.237 6 H ILE 2 H ILE 2 0.853 3.841 -2.529 7 HA ILE 2 HA ILE 2 -0.469 2.024 -4.265 8 HB ILE 2 HB ILE 2 -1.238 4.313 -3.672 9 HG12 ILE 2 1HG1 ILE 2 -0.992 3.863 -6.660 10 HG13 ILE 2 2HG1 ILE 2 -2.097 2.984 -5.604 11 HG21 ILE 2 1HG2 ILE 2 0.898 5.307 -5.622 12 HG22 ILE 2 2HG2 ILE 2 -0.339 6.301 -4.835 13 HG23 ILE 2 3HG2 ILE 2 0.922 5.534 -3.861 14 HD11 ILE 2 3HD1 ILE 2 -3.309 4.744 -6.717 15 HD12 ILE 2 1HD1 ILE 2 -3.182 5.157 -4.995 16 HD13 ILE 2 2HD1 ILE 2 -2.138 5.971 -6.192 17 H VAL 3 H VAL 3 2.691 3.576 -4.595 18 HA VAL 3 HA VAL 3 3.026 3.200 -7.378 19 HB VAL 3 HB VAL 3 5.156 3.070 -5.192 20 HG11 VAL 3 1HG1 VAL 3 5.366 3.594 -8.194 21 HG12 VAL 3 2HG1 VAL 3 6.694 3.826 -7.033 22 HG13 VAL 3 3HG1 VAL 3 6.030 2.203 -7.312 23 HG21 VAL 3 3HG2 VAL 3 5.506 5.493 -5.779 24 HG22 VAL 3 1HG2 VAL 3 4.048 5.418 -6.797 25 HG23 VAL 3 2HG2 VAL 3 3.927 5.176 -5.039 26 H GLU 4 H GLU 4 3.539 0.952 -4.641 27 HA GLU 4 HA GLU 4 4.800 -1.088 -6.196 28 HB2 GLU 4 1HB GLU 4 3.216 -1.122 -3.622 29 HB3 GLU 4 2HB GLU 4 3.783 -2.615 -4.371 30 HG2 GLU 4 1HG GLU 4 5.393 -2.008 -2.750 31 HG3 GLU 4 2HG GLU 4 6.096 -1.699 -4.344 32 HE2 GLU 4 HE2 GLU 4 7.219 -0.154 -4.197 33 H GLN 5 H GLN 5 1.345 -0.426 -5.506 34 HA GLN 5 HA GLN 5 0.319 -2.824 -6.610 35 HB2 GLN 5 1HB GLN 5 -0.969 -1.102 -5.295 36 HB3 GLN 5 2HB GLN 5 -0.943 -0.056 -6.720 37 HG2 GLN 5 1HG GLN 5 -2.189 -1.775 -8.001 38 HG3 GLN 5 2HG GLN 5 -2.226 -2.807 -6.564 39 HE21 GLN 5 2HE2 GLN 5 -4.143 -2.779 -5.607 40 HE22 GLN 5 1HE2 GLN 5 -5.198 -1.394 -5.479 41 H CYS 6 H CYS 6 1.208 0.281 -8.145 42 HA CYS 6 HA CYS 6 0.208 -0.620 -10.726 43 HB2 CYS 6 1HB CYS 6 1.985 1.748 -10.067 44 HB3 CYS 6 2HB CYS 6 1.085 1.488 -11.562 45 H CYS 7 H CYS 7 3.366 -0.594 -9.112 46 HA CYS 7 HA CYS 7 4.813 -1.156 -11.551 47 HB2 CYS 7 1HB CYS 7 5.510 -1.521 -8.622 48 HB3 CYS 7 2HB CYS 7 6.630 -1.873 -9.945 49 H THR 8 H THR 8 3.623 -3.232 -8.842 50 HA THR 8 HA THR 8 4.711 -5.580 -10.235 51 HB THR 8 HB THR 8 4.817 -5.206 -7.697 52 HG1 THR 8 HG1 THR 8 3.844 -7.597 -8.895 53 HG21 THR 8 1HG2 THR 8 2.991 -5.772 -6.335 54 HG22 THR 8 2HG2 THR 8 2.079 -6.495 -7.679 55 HG23 THR 8 3HG2 THR 8 2.256 -4.730 -7.568 56 H SER 9 H SER 9 1.659 -3.957 -10.138 57 HA SER 9 HA SER 9 0.559 -6.193 -11.729 58 HB2 SER 9 1HB SER 9 -0.156 -6.462 -9.262 59 HB3 SER 9 2HB SER 9 -1.057 -4.941 -9.443 60 HG SER 9 HG SER 9 -2.206 -7.015 -9.864 61 H ILE 10 H ILE 10 -2.057 -5.074 -12.022 62 HA ILE 10 HA ILE 10 -1.147 -2.784 -13.709 63 HB ILE 10 HB ILE 10 -3.439 -4.718 -14.194 64 HG12 ILE 10 1HG1 ILE 10 -0.607 -4.464 -15.265 65 HG13 ILE 10 2HG1 ILE 10 -1.280 -5.808 -14.346 66 HG21 ILE 10 1HG2 ILE 10 -2.239 -2.596 -16.041 67 HG22 ILE 10 2HG2 ILE 10 -3.638 -3.645 -16.370 68 HG23 ILE 10 3HG2 ILE 10 -3.758 -2.385 -15.143 69 HD11 ILE 10 3HD1 ILE 10 -1.773 -5.085 -17.206 70 HD12 ILE 10 1HD1 ILE 10 -1.062 -6.560 -16.532 71 HD13 ILE 10 2HD1 ILE 10 -2.803 -6.235 -16.317 72 H CYS 11 H CYS 11 -1.572 -0.939 -12.745 73 HA CYS 11 HA CYS 11 -3.987 -0.497 -11.176 74 HB2 CYS 11 1HB CYS 11 -1.768 1.265 -12.244 75 HB3 CYS 11 2HB CYS 11 -3.231 1.967 -11.544 76 H SER 12 H SER 12 -5.931 -0.169 -11.996 77 HA SER 12 HA SER 12 -6.348 0.393 -14.835 78 HB2 SER 12 1HB SER 12 -8.730 0.455 -14.175 79 HB3 SER 12 2HB SER 12 -7.937 -0.983 -13.491 80 HG SER 12 HG SER 12 -8.974 -0.126 -11.791 81 H LEU 13 H LEU 13 -7.790 2.386 -15.350 82 HA LEU 13 HA LEU 13 -6.406 4.737 -14.610 83 HB2 LEU 13 1HB LEU 13 -8.103 5.947 -15.779 84 HB3 LEU 13 2HB LEU 13 -7.734 4.473 -16.656 85 HG LEU 13 HG LEU 13 -9.902 3.629 -15.243 86 HD11 LEU 13 1HD1 LEU 13 -10.322 5.822 -14.213 87 HD12 LEU 13 2HD1 LEU 13 -11.613 5.423 -15.357 88 HD13 LEU 13 3HD1 LEU 13 -10.354 6.591 -15.818 89 HD21 LEU 13 3HD2 LEU 13 -11.171 4.006 -17.316 90 HD22 LEU 13 1HD2 LEU 13 -9.534 3.417 -17.663 91 HD23 LEU 13 2HD2 LEU 13 -9.924 5.141 -17.884 92 H TYR 14 H TYR 14 -9.097 3.101 -13.036 93 HA TYR 14 HA TYR 14 -9.969 5.317 -11.447 94 HB2 TYR 14 1HB TYR 14 -10.080 2.387 -10.696 95 HB3 TYR 14 2HB TYR 14 -11.174 3.677 -10.183 96 HD1 TYR 14 HD1 TYR 14 -12.447 4.912 -12.220 97 HD2 TYR 14 HD2 TYR 14 -10.742 0.966 -12.420 98 HE1 TYR 14 HE1 TYR 14 -13.910 4.370 -14.170 99 HE2 TYR 14 HE2 TYR 14 -12.204 0.437 -14.375 100 HH TYR 14 HH TYR 14 -13.874 1.181 -15.760 101 H GLN 15 H GLN 15 -7.504 2.775 -10.971 102 HA GLN 15 HA GLN 15 -6.894 3.546 -8.249 103 HB2 GLN 15 1HB GLN 15 -5.156 2.122 -10.302 104 HB3 GLN 15 2HB GLN 15 -4.868 2.186 -8.562 105 HG2 GLN 15 1HG GLN 15 -7.173 0.817 -9.986 106 HG3 GLN 15 2HG GLN 15 -5.812 0.036 -9.170 107 HE21 GLN 15 2HE2 GLN 15 -5.571 0.852 -6.769 108 HE22 GLN 15 1HE2 GLN 15 -7.081 0.884 -5.875 109 H LEU 16 H LEU 16 -5.685 4.350 -11.472 110 HA LEU 16 HA LEU 16 -3.451 5.900 -10.645 111 HB2 LEU 16 1HB LEU 16 -5.108 5.927 -13.167 112 HB3 LEU 16 2HB LEU 16 -3.657 6.906 -12.958 113 HG LEU 16 HG LEU 16 -3.710 3.876 -12.716 114 HD11 LEU 16 1HD1 LEU 16 -4.269 4.585 -15.001 115 HD12 LEU 16 2HD1 LEU 16 -2.678 3.818 -14.920 116 HD13 LEU 16 3HD1 LEU 16 -2.799 5.590 -15.049 117 HD21 LEU 16 3HD2 LEU 16 -1.841 4.887 -11.500 118 HD22 LEU 16 1HD2 LEU 16 -1.408 5.857 -12.925 119 HD23 LEU 16 2HD2 LEU 16 -1.250 4.086 -12.963 120 H GLU 17 H GLU 17 -6.866 6.828 -11.003 121 HA GLU 17 HA GLU 17 -6.611 9.636 -10.987 122 HB2 GLU 17 1HB GLU 17 -8.627 7.757 -9.739 123 HB3 GLU 17 2HB GLU 17 -8.798 9.500 -9.594 124 HG2 GLU 17 1HG GLU 17 -8.530 8.151 -12.285 125 HG3 GLU 17 2HG GLU 17 -10.086 8.323 -11.473 126 HE2 GLU 17 HE2 GLU 17 -8.992 9.363 -13.807 127 H ASN 18 H ASN 18 -6.125 7.396 -8.285 128 HA ASN 18 HA ASN 18 -6.358 9.266 -6.156 129 HB2 ASN 18 1HB ASN 18 -4.756 6.718 -6.421 130 HB3 ASN 18 2HB ASN 18 -4.894 7.630 -4.912 131 HD21 ASN 18 2HD2 ASN 18 -6.348 5.354 -6.997 132 HD22 ASN 18 1HD2 ASN 18 -7.843 5.165 -6.105 133 H TYR 19 H TYR 19 -3.746 8.823 -8.450 134 HA TYR 19 HA TYR 19 -1.634 9.978 -6.806 135 HB2 TYR 19 1HB TYR 19 -2.037 9.465 -9.745 136 HB3 TYR 19 2HB TYR 19 -0.594 10.261 -9.164 137 HD1 TYR 19 HD1 TYR 19 -2.429 7.034 -9.167 138 HD2 TYR 19 HD2 TYR 19 1.190 9.082 -8.078 139 HE1 TYR 19 HE1 TYR 19 -1.289 4.847 -8.848 140 HE2 TYR 19 HE2 TYR 19 2.322 6.880 -7.757 141 HH TYR 19 HH TYR 19 0.631 3.782 -8.312 142 H CYS 20 H CYS 20 -4.407 11.385 -8.174 143 HA CYS 20 HA CYS 20 -3.202 14.065 -7.972 144 HB2 CYS 20 1HB CYS 20 -4.424 14.662 -10.063 145 HB3 CYS 20 2HB CYS 20 -3.041 13.620 -10.277 146 H ASN 21 H ASN 21 -5.201 15.659 -8.442 147 HA ASN 21 HA ASN 21 -7.645 14.592 -7.128 148 HB2 ASN 21 1HB ASN 21 -6.302 15.556 -5.288 149 HB3 ASN 21 2HB ASN 21 -6.216 17.106 -6.128 150 HD21 ASN 21 2HD2 ASN 21 -8.099 15.017 -4.137 151 HD22 ASN 21 1HD2 ASN 21 -9.496 16.058 -4.017 152 HXT ASN 21 H02 ASN 21 -6.686 17.661 -7.984 153 H1 PHE 1 3H0 PHE 1 -8.723 3.181 -22.793 154 H2 PHE 1 2H0 PHE 1 -8.014 2.266 -23.969 155 H3 PHE 1 1H0 PHE 1 -8.914 1.541 -22.792 156 HA PHE 1 HA PHE 1 -6.356 2.951 -22.392 157 HB2 PHE 1 1HB PHE 1 -8.182 3.049 -20.559 158 HB3 PHE 1 2HB PHE 1 -7.904 1.316 -20.356 159 HD1 PHE 1 HD2 PHE 1 -6.418 4.701 -19.999 160 HD2 PHE 1 HD1 PHE 1 -5.884 0.488 -19.263 161 HE1 PHE 1 HE2 PHE 1 -4.519 5.213 -18.475 162 HE2 PHE 1 HE1 PHE 1 -3.976 0.995 -17.742 163 HZ PHE 1 HZ PHE 1 -3.284 3.360 -17.354 164 H VAL 2 H VAL 2 -4.527 1.542 -22.074 165 HA VAL 2 HA VAL 2 -5.042 -1.272 -22.976 166 HB VAL 2 HB VAL 2 -2.520 0.442 -23.299 167 HG11 VAL 2 1HG1 VAL 2 -3.162 -2.376 -24.294 168 HG12 VAL 2 2HG1 VAL 2 -1.719 -1.435 -24.735 169 HG13 VAL 2 3HG1 VAL 2 -1.958 -1.942 -23.054 170 HG21 VAL 2 3HG2 VAL 2 -4.262 1.224 -24.828 171 HG22 VAL 2 1HG2 VAL 2 -3.043 0.325 -25.746 172 HG23 VAL 2 2HG2 VAL 2 -4.599 -0.443 -25.353 173 H ASN 3 H ASN 3 -4.416 -2.868 -21.539 174 HA ASN 3 HA ASN 3 -3.493 -1.990 -18.925 175 HB2 ASN 3 1HB ASN 3 -3.402 -4.340 -18.320 176 HB3 ASN 3 2HB ASN 3 -4.981 -3.947 -19.036 177 HD21 ASN 3 2HD2 ASN 3 -5.441 -4.766 -21.151 178 HD22 ASN 3 1HD2 ASN 3 -4.536 -6.119 -21.786 179 H GLN 4 H GLN 4 -1.563 -1.996 -18.088 180 HA GLN 4 HA GLN 4 0.557 -3.686 -19.077 181 HB2 GLN 4 1HB GLN 4 2.134 -1.740 -19.447 182 HB3 GLN 4 2HB GLN 4 0.917 -1.950 -20.710 183 HG2 GLN 4 1HG GLN 4 -0.446 -0.163 -19.672 184 HG3 GLN 4 2HG GLN 4 0.820 0.083 -18.473 185 HE21 GLN 4 2HE2 GLN 4 -0.386 1.001 -21.453 186 HE22 GLN 4 1HE2 GLN 4 1.010 1.878 -22.034 187 H HIS 5 H HIS 5 2.083 -3.868 -17.416 188 HA HIS 5 HA HIS 5 1.447 -2.767 -14.789 189 HB2 HIS 5 1HB HIS 5 4.015 -4.020 -15.867 190 HB3 HIS 5 2HB HIS 5 3.741 -3.563 -14.178 191 HD1 HIS 5 HD1 HIS 5 1.172 -4.681 -13.372 192 HD2 HIS 5 HD2 HIS 5 3.597 -6.723 -16.012 193 HE1 HIS 5 HE1 HIS 5 0.434 -7.136 -13.347 194 HE2 HIS 5 HE2 HIS 5 1.957 -8.351 -14.940 195 H LEU 6 H LEU 6 2.363 -0.928 -13.810 196 HA LEU 6 HA LEU 6 3.744 0.927 -15.724 197 HB2 LEU 6 1HB LEU 6 1.451 1.423 -13.811 198 HB3 LEU 6 2HB LEU 6 2.385 2.713 -14.551 199 HG LEU 6 HG LEU 6 0.803 0.678 -16.136 200 HD11 LEU 6 1HD1 LEU 6 -0.861 2.478 -16.400 201 HD12 LEU 6 2HD1 LEU 6 0.058 3.488 -15.258 202 HD13 LEU 6 3HD1 LEU 6 -0.693 1.968 -14.711 203 HD21 LEU 6 3HD2 LEU 6 2.139 3.308 -16.865 204 HD22 LEU 6 1HD2 LEU 6 1.007 2.447 -17.920 205 HD23 LEU 6 2HD2 LEU 6 2.544 1.686 -17.482 206 H CYS 7 H CYS 7 5.763 1.061 -14.944 207 HA CYS 7 HA CYS 7 6.030 2.100 -12.170 208 HB2 CYS 7 1HB CYS 7 6.593 -0.473 -12.606 209 HB3 CYS 7 2HB CYS 7 8.086 0.199 -13.266 210 H GLY 8 H GLY 8 8.020 3.387 -11.923 211 HA2 GLY 8 1HA GLY 8 9.577 4.913 -12.692 212 HA3 GLY 8 2HA GLY 8 9.811 3.838 -14.080 213 H SER 9 H SER 9 9.941 5.324 -15.695 214 HA SER 9 HA SER 9 8.358 7.650 -15.965 215 HB2 SER 9 1HB SER 9 9.023 7.268 -18.470 216 HB3 SER 9 2HB SER 9 10.295 7.564 -17.260 217 HG SER 9 HG SER 9 10.828 5.770 -18.529 218 H HIS 10 H HIS 10 7.611 4.291 -16.852 219 HA HIS 10 HA HIS 10 5.514 4.896 -18.715 220 HB2 HIS 10 1HB HIS 10 6.265 2.548 -17.024 221 HB3 HIS 10 2HB HIS 10 4.605 2.622 -17.604 222 HD1 HIS 10 HD1 HIS 10 4.201 1.513 -19.806 223 HD2 HIS 10 HD2 HIS 10 8.144 2.930 -19.417 224 HE1 HIS 10 HE1 HIS 10 5.450 0.811 -21.892 225 HE2 HIS 10 HE2 HIS 10 7.827 1.665 -21.657 226 H LEU 11 H LEU 11 5.559 4.615 -15.162 227 HA LEU 11 HA LEU 11 2.715 4.836 -14.838 228 HB2 LEU 11 1HB LEU 11 4.274 3.982 -13.111 229 HB3 LEU 11 2HB LEU 11 4.999 5.576 -12.978 230 HG LEU 11 HG LEU 11 2.943 6.487 -12.031 231 HD11 LEU 11 1HD1 LEU 11 1.245 5.107 -13.091 232 HD12 LEU 11 2HD1 LEU 11 1.118 4.949 -11.331 233 HD13 LEU 11 3HD1 LEU 11 1.878 3.651 -12.283 234 HD21 LEU 11 3HD2 LEU 11 3.080 5.311 -9.891 235 HD22 LEU 11 1HD2 LEU 11 4.695 5.471 -10.606 236 HD23 LEU 11 2HD2 LEU 11 3.841 3.909 -10.679 237 H VAL 12 H VAL 12 5.383 7.204 -14.853 238 HA VAL 12 HA VAL 12 3.825 9.474 -14.172 239 HB VAL 12 HB VAL 12 6.345 9.279 -15.896 240 HG11 VAL 12 1HG1 VAL 12 5.226 11.455 -16.174 241 HG12 VAL 12 2HG1 VAL 12 5.202 11.669 -14.407 242 HG13 VAL 12 3HG1 VAL 12 6.748 11.619 -15.283 243 HG21 VAL 12 3HG2 VAL 12 5.979 9.727 -12.900 244 HG22 VAL 12 1HG2 VAL 12 6.687 8.293 -13.675 245 HG23 VAL 12 2HG2 VAL 12 7.526 9.851 -13.769 246 H GLU 13 H GLU 13 4.660 8.131 -17.421 247 HA GLU 13 HA GLU 13 3.275 10.251 -18.784 248 HB2 GLU 13 1HB GLU 13 4.045 7.484 -19.752 249 HB3 GLU 13 2HB GLU 13 3.430 8.792 -20.770 250 HG2 GLU 13 1HG GLU 13 6.050 8.709 -19.252 251 HG3 GLU 13 2HG GLU 13 5.820 8.793 -21.001 252 HE2 GLU 13 HE2 GLU 13 4.391 10.618 -21.493 253 H ALA 14 H ALA 14 2.192 7.198 -17.430 254 HA ALA 14 HA ALA 14 -0.330 7.167 -18.856 255 HB1 ALA 14 3HB ALA 14 0.625 5.151 -17.782 256 HB2 ALA 14 1HB ALA 14 0.458 5.925 -16.187 257 HB3 ALA 14 2HB ALA 14 -0.992 5.527 -17.138 258 H LEU 15 H LEU 15 0.864 8.505 -15.778 259 HA LEU 15 HA LEU 15 -1.691 9.287 -14.784 260 HB2 LEU 15 1HB LEU 15 1.137 10.180 -14.227 261 HB3 LEU 15 2HB LEU 15 -0.242 10.925 -13.426 262 HG LEU 15 HG LEU 15 0.372 7.966 -13.281 263 HD11 LEU 15 1HD1 LEU 15 1.196 8.348 -11.054 264 HD12 LEU 15 2HD1 LEU 15 0.868 10.089 -11.190 265 HD13 LEU 15 3HD1 LEU 15 2.129 9.337 -12.196 266 HD21 LEU 15 3HD2 LEU 15 -1.578 9.759 -11.864 267 HD22 LEU 15 1HD2 LEU 15 -1.231 8.071 -11.415 268 HD23 LEU 15 2HD2 LEU 15 -1.954 8.432 -12.981 269 H TYR 16 H TYR 16 0.563 10.942 -16.970 270 HA TYR 16 HA TYR 16 -0.635 13.524 -16.861 271 HB2 TYR 16 1HB TYR 16 0.797 11.969 -19.020 272 HB3 TYR 16 2HB TYR 16 -0.015 13.482 -19.426 273 HD1 TYR 16 HD1 TYR 16 0.608 15.608 -18.075 274 HD2 TYR 16 HD2 TYR 16 3.013 12.048 -18.125 275 HE1 TYR 16 HE1 TYR 16 2.593 16.922 -17.318 276 HE2 TYR 16 HE2 TYR 16 4.990 13.364 -17.395 277 HH TYR 16 HH TYR 16 5.793 15.422 -16.828 278 H LEU 17 H LEU 17 -1.537 10.602 -18.708 279 HA LEU 17 HA LEU 17 -3.655 11.934 -20.137 280 HB2 LEU 17 1HB LEU 17 -3.252 8.996 -19.527 281 HB3 LEU 17 2HB LEU 17 -4.385 9.667 -20.687 282 HG LEU 17 HG LEU 17 -1.364 9.936 -20.888 283 HD11 LEU 17 1HD1 LEU 17 -2.073 7.584 -21.026 284 HD12 LEU 17 2HD1 LEU 17 -1.509 8.179 -22.603 285 HD13 LEU 17 3HD1 LEU 17 -3.253 8.008 -22.293 286 HD21 LEU 17 3HD2 LEU 17 -1.847 10.533 -23.253 287 HD22 LEU 17 1HD2 LEU 17 -2.544 11.699 -22.114 288 HD23 LEU 17 2HD2 LEU 17 -3.590 10.491 -22.896 289 H VAL 18 H VAL 18 -3.615 9.878 -17.204 290 HA VAL 18 HA VAL 18 -6.502 9.727 -17.107 291 HB VAL 18 HB VAL 18 -4.408 9.133 -14.955 292 HG11 VAL 18 1HG1 VAL 18 -6.229 7.747 -13.920 293 HG12 VAL 18 2HG1 VAL 18 -6.574 9.482 -13.887 294 HG13 VAL 18 3HG1 VAL 18 -7.378 8.440 -15.087 295 HG21 VAL 18 3HG2 VAL 18 -4.115 7.713 -16.906 296 HG22 VAL 18 1HG2 VAL 18 -4.867 6.761 -15.621 297 HG23 VAL 18 2HG2 VAL 18 -5.855 7.360 -16.969 298 H CYS 19 H CYS 19 -4.056 11.728 -15.447 299 HA CYS 19 HA CYS 19 -6.152 13.029 -13.877 300 HB2 CYS 19 1HB CYS 19 -3.201 13.612 -14.171 301 HB3 CYS 19 2HB CYS 19 -4.291 14.374 -12.997 302 H GLY 20 H GLY 20 -4.574 13.532 -16.974 303 HA2 GLY 20 1HA GLY 20 -4.959 15.152 -18.553 304 HA3 GLY 20 2HA GLY 20 -6.448 15.545 -17.677 305 H GLU 21 H GLU 21 -6.377 17.715 -17.848 306 HA GLU 21 HA GLU 21 -4.037 19.311 -17.497 307 HB2 GLU 21 1HB GLU 21 -6.987 20.010 -17.325 308 HB3 GLU 21 2HB GLU 21 -5.675 21.192 -17.386 309 HG2 GLU 21 1HG GLU 21 -4.991 20.317 -19.601 310 HG3 GLU 21 2HG GLU 21 -6.337 19.168 -19.556 311 HE2 GLU 21 HE2 GLU 21 -7.402 21.967 -21.434 312 H ARG 22 H ARG 22 -5.842 17.715 -15.074 313 HA ARG 22 HA ARG 22 -5.685 19.756 -13.010 314 HB2 ARG 22 1HB ARG 22 -5.908 16.728 -12.867 315 HB3 ARG 22 2HB ARG 22 -6.012 17.798 -11.469 316 HG2 ARG 22 1HG ARG 22 -8.017 18.842 -12.328 317 HG3 ARG 22 2HG ARG 22 -7.914 17.908 -13.835 318 HD2 ARG 22 1HD ARG 22 -8.105 16.629 -11.098 319 HD3 ARG 22 2HD ARG 22 -9.528 17.026 -12.080 320 HE ARG 22 HE ARG 22 -7.873 15.563 -13.772 321 HH11 ARG 22 1HH1 ARG 22 -9.361 14.882 -10.622 322 HH12 ARG 22 2HH1 ARG 22 -9.527 13.175 -10.995 323 HH21 ARG 22 1HH2 ARG 22 -8.168 13.393 -14.147 324 HH22 ARG 22 2HH2 ARG 22 -8.863 12.369 -12.913 325 H GLY 23 H GLY 23 -3.416 17.524 -14.420 326 HA2 GLY 23 1HA GLY 23 -1.144 17.289 -13.962 327 HA3 GLY 23 2HA GLY 23 -1.294 18.485 -12.655 328 H PHE 24 H PHE 24 0.247 16.519 -11.898 329 HA PHE 24 HA PHE 24 -1.285 15.057 -9.897 330 HB2 PHE 24 1HB PHE 24 -0.604 12.831 -10.595 331 HB3 PHE 24 2HB PHE 24 -1.551 13.582 -11.877 332 HD1 PHE 24 HD1 PHE 24 -0.504 14.349 -13.956 333 HD2 PHE 24 HD2 PHE 24 1.718 12.296 -10.913 334 HE1 PHE 24 HE1 PHE 24 1.308 13.908 -15.578 335 HE2 PHE 24 HE2 PHE 24 3.519 11.816 -12.536 336 HZ PHE 24 HZ PHE 24 3.324 12.642 -14.894 337 H PHE 25 H PHE 25 0.436 13.538 -8.745 338 HA PHE 25 HA PHE 25 3.127 14.807 -8.889 339 HB2 PHE 25 1HB PHE 25 3.250 14.872 -6.441 340 HB3 PHE 25 2HB PHE 25 1.933 15.894 -7.029 341 HD1 PHE 25 HD2 PHE 25 -0.418 15.283 -6.645 342 HD2 PHE 25 HD1 PHE 25 2.796 12.832 -5.163 343 HE1 PHE 25 HE2 PHE 25 -2.026 14.080 -5.175 344 HE2 PHE 25 HE1 PHE 25 1.194 11.622 -3.686 345 HZ PHE 25 HZ PHE 25 -1.224 12.235 -3.700 346 H TYR 26 H TYR 26 4.708 13.411 -7.612 347 HA TYR 26 HA TYR 26 3.907 10.549 -7.615 348 HB2 TYR 26 1HB TYR 26 4.997 10.961 -9.785 349 HB3 TYR 26 2HB TYR 26 6.374 11.715 -8.966 350 HD1 TYR 26 HD2 TYR 26 4.429 8.467 -8.935 351 HD2 TYR 26 HD1 TYR 26 8.265 10.386 -8.537 352 HE1 TYR 26 HE2 TYR 26 5.529 6.239 -8.665 353 HE2 TYR 26 HE1 TYR 26 9.351 8.153 -8.306 354 HH TYR 26 HH TYR 26 9.057 5.901 -8.234 355 H THR 27 H THR 27 5.225 9.299 -6.203 356 HA THR 27 HA THR 27 6.616 10.937 -4.133 357 HB THR 27 HB THR 27 4.802 10.140 -2.955 358 HG1 THR 27 HG1 THR 27 6.733 8.051 -2.912 359 HG21 THR 27 1HG2 THR 27 4.913 7.728 -4.778 360 HG22 THR 27 2HG2 THR 27 3.634 8.965 -4.656 361 HG23 THR 27 3HG2 THR 27 3.877 7.805 -3.333 362 HA PRO 28 HA PRO 28 9.782 8.095 -5.857 363 HB2 PRO 28 1HB PRO 28 11.885 9.821 -5.777 364 HB3 PRO 28 2HB PRO 28 10.638 9.919 -7.064 365 HG2 PRO 28 1HG PRO 28 10.878 11.513 -4.530 366 HG3 PRO 28 2HG PRO 28 10.600 12.087 -6.203 367 HD2 PRO 28 1HD PRO 28 8.582 11.737 -4.392 368 HD3 PRO 28 2HD PRO 28 8.335 11.469 -6.150 369 H LYS 29 H LYS 29 11.799 7.247 -4.819 370 HA LYS 29 HA LYS 29 12.150 8.019 -1.989 371 HB2 LYS 29 1HB LYS 29 12.110 5.620 -1.286 372 HB3 LYS 29 2HB LYS 29 10.541 6.297 -1.722 373 HG2 LYS 29 1HG LYS 29 10.611 5.137 -3.900 374 HG3 LYS 29 2HG LYS 29 12.208 4.485 -3.500 375 HD2 LYS 29 1HD LYS 29 11.167 3.421 -1.454 376 HD3 LYS 29 2HD LYS 29 9.585 3.903 -2.102 377 HE2 LYS 29 1HE LYS 29 10.008 1.613 -2.760 378 HE3 LYS 29 2HE LYS 29 10.138 2.632 -4.209 379 HZ1 LYS 29 3HZ LYS 29 12.426 1.618 -2.601 380 HZ2 LYS 29 1HZ LYS 29 12.562 2.588 -3.926 381 HZ3 LYS 29 2HZ LYS 29 11.974 1.055 -4.083 382 H THR 30 H THR 30 14.210 8.657 -2.021 383 HA THR 30 HA THR 30 16.197 7.337 -3.717 384 HB THR 30 HB THR 30 17.715 8.991 -2.333 385 HG1 THR 30 HG1 THR 30 16.412 9.510 -0.655 386 HG21 THR 30 1HG2 THR 30 15.393 10.107 -4.034 387 HG22 THR 30 2HG2 THR 30 16.914 9.463 -4.691 388 HG23 THR 30 3HG2 THR 30 16.924 10.922 -3.694 389 HXT THR 30 H02 THR 30 15.725 5.518 -2.847 Start of MODEL 2 1 H1 GLY 1 3H0 GLY 1 3.468 -1.164 -1.777 2 H2 GLY 1 2H0 GLY 1 3.327 -0.816 -0.171 3 H3 GLY 1 1H0 GLY 1 1.997 -1.259 -1.040 4 HA2 GLY 1 1HA GLY 1 1.972 1.117 -0.634 5 HA3 GLY 1 2HA GLY 1 3.555 1.223 -1.427 6 H ILE 2 H ILE 2 1.423 2.785 -2.424 7 HA ILE 2 HA ILE 2 -0.112 1.382 -4.378 8 HB ILE 2 HB ILE 2 -0.708 3.594 -3.365 9 HG12 ILE 2 1HG1 ILE 2 -0.664 3.535 -6.398 10 HG13 ILE 2 2HG1 ILE 2 -1.782 2.627 -5.384 11 HG21 ILE 2 1HG2 ILE 2 1.559 4.692 -3.596 12 HG22 ILE 2 2HG2 ILE 2 1.271 4.824 -5.349 13 HG23 ILE 2 3HG2 ILE 2 0.225 5.683 -4.203 14 HD11 ILE 2 3HD1 ILE 2 -2.640 4.811 -4.465 15 HD12 ILE 2 1HD1 ILE 2 -1.608 5.658 -5.649 16 HD13 ILE 2 2HD1 ILE 2 -2.910 4.590 -6.209 17 H VAL 3 H VAL 3 3.060 2.999 -4.659 18 HA VAL 3 HA VAL 3 3.198 2.831 -7.509 19 HB VAL 3 HB VAL 3 5.486 2.792 -5.485 20 HG11 VAL 3 1HG1 VAL 3 6.239 2.113 -7.727 21 HG12 VAL 3 2HG1 VAL 3 5.425 3.516 -8.451 22 HG13 VAL 3 3HG1 VAL 3 6.817 3.753 -7.371 23 HG21 VAL 3 3HG2 VAL 3 5.571 5.262 -5.925 24 HG22 VAL 3 1HG2 VAL 3 4.064 5.116 -6.856 25 HG23 VAL 3 2HG2 VAL 3 4.076 4.757 -5.113 26 H GLU 4 H GLU 4 4.139 0.647 -4.892 27 HA GLU 4 HA GLU 4 5.435 -1.337 -6.424 28 HB2 GLU 4 1HB GLU 4 5.374 -1.136 -3.925 29 HB3 GLU 4 2HB GLU 4 3.691 -1.646 -3.965 30 HG2 GLU 4 1HG GLU 4 4.416 -3.819 -4.955 31 HG3 GLU 4 2HG GLU 4 6.094 -3.310 -4.703 32 HE2 GLU 4 HE2 GLU 4 5.749 -5.296 -3.564 33 H GLN 5 H GLN 5 1.951 -0.897 -5.624 34 HA GLN 5 HA GLN 5 1.113 -3.343 -6.842 35 HB2 GLN 5 1HB GLN 5 -0.365 -0.732 -6.368 36 HB3 GLN 5 2HB GLN 5 -1.131 -2.197 -6.981 37 HG2 GLN 5 1HG GLN 5 0.272 -1.981 -4.293 38 HG3 GLN 5 2HG GLN 5 -1.471 -1.860 -4.544 39 HE21 GLN 5 2HE2 GLN 5 -0.425 -3.745 -2.825 40 HE22 GLN 5 1HE2 GLN 5 -0.641 -5.337 -3.510 41 H CYS 6 H CYS 6 1.525 -0.033 -8.189 42 HA CYS 6 HA CYS 6 0.400 -0.840 -10.736 43 HB2 CYS 6 1HB CYS 6 2.187 1.515 -10.041 44 HB3 CYS 6 2HB CYS 6 1.319 1.293 -11.562 45 H CYS 7 H CYS 7 3.660 -0.829 -9.352 46 HA CYS 7 HA CYS 7 4.967 -1.320 -11.870 47 HB2 CYS 7 1HB CYS 7 5.808 -1.822 -9.001 48 HB3 CYS 7 2HB CYS 7 6.860 -2.098 -10.397 49 H THR 8 H THR 8 3.821 -3.485 -9.218 50 HA THR 8 HA THR 8 4.796 -5.806 -10.731 51 HB THR 8 HB THR 8 4.945 -5.545 -8.178 52 HG1 THR 8 HG1 THR 8 3.870 -7.848 -9.456 53 HG21 THR 8 1HG2 THR 8 3.095 -6.210 -6.831 54 HG22 THR 8 2HG2 THR 8 2.125 -6.672 -8.242 55 HG23 THR 8 3HG2 THR 8 2.458 -4.957 -7.915 56 H SER 9 H SER 9 1.737 -4.147 -10.410 57 HA SER 9 HA SER 9 0.494 -6.358 -11.951 58 HB2 SER 9 1HB SER 9 -0.003 -6.544 -9.428 59 HB3 SER 9 2HB SER 9 -0.918 -5.031 -9.589 60 HG SER 9 HG SER 9 -2.160 -7.019 -9.827 61 H ILE 10 H ILE 10 -2.087 -5.327 -12.146 62 HA ILE 10 HA ILE 10 -1.380 -3.163 -14.049 63 HB ILE 10 HB ILE 10 -3.960 -4.775 -13.833 64 HG12 ILE 10 1HG1 ILE 10 -1.988 -6.227 -14.324 65 HG13 ILE 10 2HG1 ILE 10 -3.194 -6.186 -15.601 66 HG21 ILE 10 1HG2 ILE 10 -4.305 -3.973 -16.194 67 HG22 ILE 10 2HG2 ILE 10 -4.328 -2.669 -15.000 68 HG23 ILE 10 3HG2 ILE 10 -2.882 -2.916 -16.007 69 HD11 ILE 10 3HD1 ILE 10 -1.811 -4.799 -16.988 70 HD12 ILE 10 1HD1 ILE 10 -0.648 -4.547 -15.673 71 HD13 ILE 10 2HD1 ILE 10 -0.832 -6.154 -16.407 72 H CYS 11 H CYS 11 -1.575 -1.139 -13.306 73 HA CYS 11 HA CYS 11 -3.823 -0.467 -11.492 74 HB2 CYS 11 1HB CYS 11 -1.361 0.983 -12.451 75 HB3 CYS 11 2HB CYS 11 -2.752 1.900 -11.850 76 H SER 12 H SER 12 -5.715 -0.211 -12.425 77 HA SER 12 HA SER 12 -6.044 0.600 -15.207 78 HB2 SER 12 1HB SER 12 -8.452 0.615 -14.601 79 HB3 SER 12 2HB SER 12 -7.663 -0.883 -14.061 80 HG SER 12 HG SER 12 -8.780 -0.199 -12.320 81 H LEU 13 H LEU 13 -7.535 2.597 -15.622 82 HA LEU 13 HA LEU 13 -6.185 4.909 -14.748 83 HB2 LEU 13 1HB LEU 13 -7.882 6.172 -15.840 84 HB3 LEU 13 2HB LEU 13 -7.525 4.744 -16.797 85 HG LEU 13 HG LEU 13 -9.694 3.873 -15.356 86 HD11 LEU 13 1HD1 LEU 13 -11.382 5.689 -15.483 87 HD12 LEU 13 2HD1 LEU 13 -10.109 6.836 -15.953 88 HD13 LEU 13 3HD1 LEU 13 -10.085 6.080 -14.341 89 HD21 LEU 13 3HD2 LEU 13 -9.703 5.363 -18.008 90 HD22 LEU 13 1HD2 LEU 13 -10.958 4.242 -17.431 91 HD23 LEU 13 2HD2 LEU 13 -9.324 3.637 -17.775 92 H TYR 14 H TYR 14 -8.927 3.246 -13.265 93 HA TYR 14 HA TYR 14 -9.698 5.400 -11.537 94 HB2 TYR 14 1HB TYR 14 -9.961 2.440 -10.957 95 HB3 TYR 14 2HB TYR 14 -11.009 3.753 -10.409 96 HD1 TYR 14 HD1 TYR 14 -12.291 5.075 -12.314 97 HD2 TYR 14 HD2 TYR 14 -10.500 1.201 -12.873 98 HE1 TYR 14 HE1 TYR 14 -13.727 4.691 -14.322 99 HE2 TYR 14 HE2 TYR 14 -11.926 0.837 -14.893 100 HH TYR 14 HH TYR 14 -13.590 1.678 -16.224 101 H GLN 15 H GLN 15 -7.386 2.706 -11.235 102 HA GLN 15 HA GLN 15 -6.701 3.209 -8.467 103 HB2 GLN 15 1HB GLN 15 -5.203 1.850 -10.739 104 HB3 GLN 15 2HB GLN 15 -4.647 1.870 -9.067 105 HG2 GLN 15 1HG GLN 15 -7.303 0.694 -9.967 106 HG3 GLN 15 2HG GLN 15 -5.810 -0.233 -9.753 107 HE21 GLN 15 2HE2 GLN 15 -8.620 0.235 -8.302 108 HE22 GLN 15 1HE2 GLN 15 -8.138 0.177 -6.625 109 H LEU 16 H LEU 16 -5.526 4.277 -11.629 110 HA LEU 16 HA LEU 16 -3.247 5.709 -10.674 111 HB2 LEU 16 1HB LEU 16 -4.910 5.959 -13.180 112 HB3 LEU 16 2HB LEU 16 -3.460 6.908 -12.895 113 HG LEU 16 HG LEU 16 -3.504 3.872 -12.923 114 HD11 LEU 16 1HD1 LEU 16 -2.683 5.810 -15.112 115 HD12 LEU 16 2HD1 LEU 16 -4.127 4.772 -15.120 116 HD13 LEU 16 3HD1 LEU 16 -2.522 4.038 -15.157 117 HD21 LEU 16 3HD2 LEU 16 -1.204 5.867 -13.033 118 HD22 LEU 16 1HD2 LEU 16 -1.055 4.102 -13.195 119 HD23 LEU 16 2HD2 LEU 16 -1.608 4.802 -11.667 120 H GLU 17 H GLU 17 -6.675 6.690 -10.970 121 HA GLU 17 HA GLU 17 -6.261 9.489 -10.696 122 HB2 GLU 17 1HB GLU 17 -8.534 7.671 -9.882 123 HB3 GLU 17 2HB GLU 17 -8.559 9.400 -9.529 124 HG2 GLU 17 1HG GLU 17 -8.260 9.876 -11.946 125 HG3 GLU 17 2HG GLU 17 -8.377 8.143 -12.271 126 HE2 GLU 17 HE2 GLU 17 -11.596 10.119 -11.085 127 H ASN 18 H ASN 18 -5.914 6.973 -8.263 128 HA ASN 18 HA ASN 18 -6.247 8.619 -5.948 129 HB2 ASN 18 1HB ASN 18 -4.542 6.161 -6.432 130 HB3 ASN 18 2HB ASN 18 -4.747 6.916 -4.848 131 HD21 ASN 18 2HD2 ASN 18 -5.793 4.468 -6.729 132 HD22 ASN 18 1HD2 ASN 18 -7.390 4.251 -6.044 133 H TYR 19 H TYR 19 -3.618 8.393 -8.271 134 HA TYR 19 HA TYR 19 -1.586 9.585 -6.544 135 HB2 TYR 19 1HB TYR 19 -1.868 9.200 -9.521 136 HB3 TYR 19 2HB TYR 19 -0.470 9.982 -8.815 137 HD1 TYR 19 HD1 TYR 19 -2.309 6.729 -8.997 138 HD2 TYR 19 HD2 TYR 19 1.305 8.740 -7.821 139 HE1 TYR 19 HE1 TYR 19 -1.177 4.532 -8.711 140 HE2 TYR 19 HE2 TYR 19 2.424 6.536 -7.539 141 HH TYR 19 HH TYR 19 0.753 3.454 -8.194 142 H CYS 20 H CYS 20 -4.294 10.773 -8.374 143 HA CYS 20 HA CYS 20 -3.178 13.473 -8.748 144 HB2 CYS 20 1HB CYS 20 -5.935 12.276 -9.215 145 HB3 CYS 20 2HB CYS 20 -5.531 13.963 -9.518 146 H ASN 21 H ASN 21 -2.685 13.582 -6.422 147 HA ASN 21 HA ASN 21 -2.946 14.473 -4.359 148 HB2 ASN 21 1HB ASN 21 -3.747 16.477 -5.414 149 HB3 ASN 21 2HB ASN 21 -5.349 15.796 -5.640 150 HD21 ASN 21 2HD2 ASN 21 -3.104 17.214 -3.359 151 HD22 ASN 21 1HD2 ASN 21 -4.270 17.430 -2.082 152 HXT ASN 21 H02 ASN 21 -5.945 13.383 -5.291 153 H1 PHE 1 3H0 PHE 1 -8.453 3.046 -23.221 154 H2 PHE 1 2H0 PHE 1 -7.696 2.121 -24.358 155 H3 PHE 1 1H0 PHE 1 -8.745 1.423 -23.296 156 HA PHE 1 HA PHE 1 -6.154 2.651 -22.610 157 HB2 PHE 1 1HB PHE 1 -8.159 2.794 -20.958 158 HB3 PHE 1 2HB PHE 1 -7.963 1.047 -20.779 159 HD1 PHE 1 HD2 PHE 1 -6.399 4.364 -20.198 160 HD2 PHE 1 HD1 PHE 1 -6.085 0.118 -19.517 161 HE1 PHE 1 HE2 PHE 1 -4.632 4.773 -18.492 162 HE2 PHE 1 HE1 PHE 1 -4.312 0.522 -17.812 163 HZ PHE 1 HZ PHE 1 -3.581 2.854 -17.299 164 H VAL 2 H VAL 2 -4.478 1.080 -22.074 165 HA VAL 2 HA VAL 2 -5.133 -1.707 -22.958 166 HB VAL 2 HB VAL 2 -2.534 -0.162 -23.469 167 HG11 VAL 2 1HG1 VAL 2 -2.101 -2.554 -23.057 168 HG12 VAL 2 2HG1 VAL 2 -3.355 -3.005 -24.240 169 HG13 VAL 2 3HG1 VAL 2 -1.872 -2.183 -24.775 170 HG21 VAL 2 3HG2 VAL 2 -4.268 0.602 -25.011 171 HG22 VAL 2 1HG2 VAL 2 -3.136 -0.439 -25.890 172 HG23 VAL 2 2HG2 VAL 2 -4.721 -1.077 -25.395 173 H ASN 3 H ASN 3 -4.660 -3.182 -21.406 174 HA ASN 3 HA ASN 3 -3.676 -2.279 -18.847 175 HB2 ASN 3 1HB ASN 3 -4.089 -5.060 -20.005 176 HB3 ASN 3 2HB ASN 3 -3.529 -4.756 -18.356 177 HD21 ASN 3 2HD2 ASN 3 -5.965 -6.104 -19.200 178 HD22 ASN 3 1HD2 ASN 3 -7.289 -5.179 -18.534 179 H GLN 4 H GLN 4 -1.672 -2.139 -18.111 180 HA GLN 4 HA GLN 4 0.390 -3.980 -18.976 181 HB2 GLN 4 1HB GLN 4 1.969 -2.223 -19.699 182 HB3 GLN 4 2HB GLN 4 0.574 -2.291 -20.781 183 HG2 GLN 4 1HG GLN 4 -0.415 -0.343 -19.558 184 HG3 GLN 4 2HG GLN 4 1.069 -0.244 -18.602 185 HE21 GLN 4 2HE2 GLN 4 -0.350 0.124 -21.782 186 HE22 GLN 4 1HE2 GLN 4 0.947 1.087 -22.452 187 H HIS 5 H HIS 5 2.036 -3.933 -17.408 188 HA HIS 5 HA HIS 5 1.399 -2.713 -14.842 189 HB2 HIS 5 1HB HIS 5 4.027 -3.876 -15.852 190 HB3 HIS 5 2HB HIS 5 3.623 -3.500 -14.173 191 HD1 HIS 5 HD1 HIS 5 0.943 -4.747 -13.744 192 HD2 HIS 5 HD2 HIS 5 3.879 -6.598 -15.997 193 HE1 HIS 5 HE1 HIS 5 0.379 -7.245 -13.803 194 HE2 HIS 5 HE2 HIS 5 2.203 -8.348 -15.153 195 H LEU 6 H LEU 6 2.380 -0.877 -13.914 196 HA LEU 6 HA LEU 6 3.678 0.954 -15.906 197 HB2 LEU 6 1HB LEU 6 1.474 1.510 -13.899 198 HB3 LEU 6 2HB LEU 6 2.345 2.761 -14.777 199 HG LEU 6 HG LEU 6 0.734 0.596 -16.152 200 HD11 LEU 6 1HD1 LEU 6 -0.078 3.407 -15.369 201 HD12 LEU 6 2HD1 LEU 6 -0.735 1.888 -14.713 202 HD13 LEU 6 3HD1 LEU 6 -1.013 2.309 -16.412 203 HD21 LEU 6 3HD2 LEU 6 0.766 2.244 -18.039 204 HD22 LEU 6 1HD2 LEU 6 2.372 1.623 -17.625 205 HD23 LEU 6 2HD2 LEU 6 1.881 3.253 -17.096 206 H CYS 7 H CYS 7 5.715 1.122 -15.208 207 HA CYS 7 HA CYS 7 6.120 2.022 -12.400 208 HB2 CYS 7 1HB CYS 7 6.611 -0.533 -12.972 209 HB3 CYS 7 2HB CYS 7 8.075 0.135 -13.697 210 H GLY 8 H GLY 8 8.217 3.183 -12.179 211 HA2 GLY 8 1HA GLY 8 9.736 4.755 -12.930 212 HA3 GLY 8 2HA GLY 8 9.903 3.741 -14.376 213 H SER 9 H SER 9 9.965 5.280 -15.956 214 HA SER 9 HA SER 9 8.420 7.623 -16.031 215 HB2 SER 9 1HB SER 9 9.067 6.330 -18.623 216 HB3 SER 9 2HB SER 9 9.475 7.953 -18.016 217 HG SER 9 HG SER 9 11.372 6.829 -18.024 218 H HIS 10 H HIS 10 7.504 4.321 -17.021 219 HA HIS 10 HA HIS 10 5.295 5.107 -18.684 220 HB2 HIS 10 1HB HIS 10 6.055 2.602 -17.214 221 HB3 HIS 10 2HB HIS 10 4.394 2.779 -17.776 222 HD1 HIS 10 HD1 HIS 10 4.005 1.689 -19.991 223 HD2 HIS 10 HD2 HIS 10 7.873 3.304 -19.655 224 HE1 HIS 10 HE1 HIS 10 5.194 1.240 -22.185 225 HE2 HIS 10 HE2 HIS 10 7.522 2.215 -21.975 226 H LEU 11 H LEU 11 5.637 4.792 -15.163 227 HA LEU 11 HA LEU 11 2.820 4.781 -14.640 228 HB2 LEU 11 1HB LEU 11 4.547 4.070 -13.016 229 HB3 LEU 11 2HB LEU 11 5.124 5.728 -12.904 230 HG LEU 11 HG LEU 11 3.019 6.433 -11.869 231 HD11 LEU 11 1HD1 LEU 11 2.224 3.506 -12.121 232 HD12 LEU 11 2HD1 LEU 11 1.419 4.905 -12.875 233 HD13 LEU 11 3HD1 LEU 11 1.379 4.707 -11.116 234 HD21 LEU 11 3HD2 LEU 11 3.314 5.234 -9.742 235 HD22 LEU 11 1HD2 LEU 11 4.884 5.614 -10.478 236 HD23 LEU 11 2HD2 LEU 11 4.232 3.957 -10.575 237 H VAL 12 H VAL 12 5.236 7.467 -14.692 238 HA VAL 12 HA VAL 12 3.158 9.384 -14.093 239 HB VAL 12 HB VAL 12 4.845 11.127 -14.556 240 HG11 VAL 12 1HG1 VAL 12 6.370 10.557 -12.734 241 HG12 VAL 12 2HG1 VAL 12 4.739 9.977 -12.342 242 HG13 VAL 12 3HG1 VAL 12 5.981 8.830 -12.897 243 HG21 VAL 12 3HG2 VAL 12 6.046 10.055 -16.434 244 HG22 VAL 12 1HG2 VAL 12 7.153 10.545 -15.140 245 HG23 VAL 12 2HG2 VAL 12 6.702 8.838 -15.313 246 H GLU 13 H GLU 13 4.473 8.053 -17.093 247 HA GLU 13 HA GLU 13 3.332 10.008 -18.861 248 HB2 GLU 13 1HB GLU 13 4.062 7.089 -19.138 249 HB3 GLU 13 2HB GLU 13 3.328 7.982 -20.475 250 HG2 GLU 13 1HG GLU 13 5.175 9.488 -20.624 251 HG3 GLU 13 2HG GLU 13 5.848 8.938 -19.089 252 HE2 GLU 13 HE2 GLU 13 7.677 7.449 -21.764 253 H ALA 14 H ALA 14 2.047 7.017 -17.368 254 HA ALA 14 HA ALA 14 -0.483 7.158 -18.731 255 HB1 ALA 14 3HB ALA 14 0.223 5.893 -16.053 256 HB2 ALA 14 1HB ALA 14 -1.215 5.546 -17.043 257 HB3 ALA 14 2HB ALA 14 0.400 5.112 -17.644 258 H LEU 15 H LEU 15 0.764 8.496 -15.656 259 HA LEU 15 HA LEU 15 -1.769 9.426 -14.718 260 HB2 LEU 15 1HB LEU 15 1.068 10.294 -14.146 261 HB3 LEU 15 2HB LEU 15 -0.323 11.039 -13.370 262 HG LEU 15 HG LEU 15 0.359 8.094 -13.162 263 HD11 LEU 15 1HD1 LEU 15 2.049 9.517 -12.064 264 HD12 LEU 15 2HD1 LEU 15 1.093 8.584 -10.897 265 HD13 LEU 15 3HD1 LEU 15 0.756 10.314 -11.139 266 HD21 LEU 15 3HD2 LEU 15 -1.663 9.809 -11.715 267 HD22 LEU 15 1HD2 LEU 15 -1.292 8.103 -11.364 268 HD23 LEU 15 2HD2 LEU 15 -2.017 8.545 -12.909 269 H TYR 16 H TYR 16 0.551 10.886 -16.985 270 HA TYR 16 HA TYR 16 -0.626 13.503 -16.984 271 HB2 TYR 16 1HB TYR 16 0.915 11.900 -19.035 272 HB3 TYR 16 2HB TYR 16 0.145 13.422 -19.488 273 HD1 TYR 16 HD1 TYR 16 0.694 15.532 -18.065 274 HD2 TYR 16 HD2 TYR 16 3.097 11.962 -18.050 275 HE1 TYR 16 HE1 TYR 16 2.626 16.825 -17.155 276 HE2 TYR 16 HE2 TYR 16 5.016 13.262 -17.134 277 HH TYR 16 HH TYR 16 5.771 15.309 -16.439 278 H LEU 17 H LEU 17 -1.515 10.476 -18.654 279 HA LEU 17 HA LEU 17 -3.563 11.745 -20.256 280 HB2 LEU 17 1HB LEU 17 -3.287 8.855 -19.384 281 HB3 LEU 17 2HB LEU 17 -4.351 9.461 -20.642 282 HG LEU 17 HG LEU 17 -1.317 9.590 -20.752 283 HD11 LEU 17 1HD1 LEU 17 -1.482 7.695 -22.308 284 HD12 LEU 17 2HD1 LEU 17 -3.244 7.631 -22.064 285 HD13 LEU 17 3HD1 LEU 17 -2.139 7.265 -20.715 286 HD21 LEU 17 3HD2 LEU 17 -2.374 11.290 -22.165 287 HD22 LEU 17 1HD2 LEU 17 -3.447 10.064 -22.881 288 HD23 LEU 17 2HD2 LEU 17 -1.693 10.002 -23.174 289 H VAL 18 H VAL 18 -3.578 9.982 -17.149 290 HA VAL 18 HA VAL 18 -6.465 9.929 -16.989 291 HB VAL 18 HB VAL 18 -4.320 9.471 -14.857 292 HG11 VAL 18 1HG1 VAL 18 -6.125 8.260 -13.620 293 HG12 VAL 18 2HG1 VAL 18 -6.424 10.002 -13.744 294 HG13 VAL 18 3HG1 VAL 18 -7.310 8.874 -14.798 295 HG21 VAL 18 3HG2 VAL 18 -5.940 7.570 -16.597 296 HG22 VAL 18 1HG2 VAL 18 -4.196 7.878 -16.700 297 HG23 VAL 18 2HG2 VAL 18 -4.865 7.079 -15.273 298 H CYS 19 H CYS 19 -3.951 12.005 -15.496 299 HA CYS 19 HA CYS 19 -6.053 13.543 -14.132 300 HB2 CYS 19 1HB CYS 19 -3.261 13.200 -13.797 301 HB3 CYS 19 2HB CYS 19 -3.523 14.905 -14.201 302 H GLY 20 H GLY 20 -4.418 13.599 -17.232 303 HA2 GLY 20 1HA GLY 20 -4.809 14.985 -19.028 304 HA3 GLY 20 2HA GLY 20 -6.168 15.690 -18.134 305 H GLU 21 H GLU 21 -5.570 17.724 -19.030 306 HA GLU 21 HA GLU 21 -3.035 18.955 -18.628 307 HB2 GLU 21 1HB GLU 21 -5.135 19.511 -20.153 308 HB3 GLU 21 2HB GLU 21 -5.569 20.560 -18.801 309 HG2 GLU 21 1HG GLU 21 -4.379 21.924 -20.341 310 HG3 GLU 21 2HG GLU 21 -3.246 21.600 -19.022 311 HE2 GLU 21 HE2 GLU 21 -2.671 19.840 -22.529 312 H ARG 22 H ARG 22 -5.314 18.192 -16.247 313 HA ARG 22 HA ARG 22 -5.101 20.558 -14.578 314 HB2 ARG 22 1HB ARG 22 -5.738 17.665 -13.891 315 HB3 ARG 22 2HB ARG 22 -5.917 19.027 -12.783 316 HG2 ARG 22 1HG ARG 22 -7.634 20.024 -14.182 317 HG3 ARG 22 2HG ARG 22 -7.411 18.777 -15.422 318 HD2 ARG 22 1HD ARG 22 -8.288 18.197 -12.570 319 HD3 ARG 22 2HD ARG 22 -9.401 18.413 -13.938 320 HE ARG 22 HE ARG 22 -7.437 16.453 -14.626 321 HH11 ARG 22 1HH1 ARG 22 -10.254 16.773 -12.512 322 HH12 ARG 22 2HH1 ARG 22 -10.608 15.067 -12.579 323 HH21 ARG 22 1HH2 ARG 22 -7.960 14.307 -14.678 324 HH22 ARG 22 2HH2 ARG 22 -9.319 13.694 -13.777 325 H GLY 23 H GLY 23 -3.066 17.804 -15.241 326 HA2 GLY 23 1HA GLY 23 -0.854 17.505 -14.593 327 HA3 GLY 23 2HA GLY 23 -0.972 18.930 -13.545 328 H PHE 24 H PHE 24 0.401 16.908 -12.525 329 HA PHE 24 HA PHE 24 -1.185 16.027 -10.234 330 HB2 PHE 24 1HB PHE 24 -0.708 13.653 -10.506 331 HB3 PHE 24 2HB PHE 24 -1.632 14.207 -11.904 332 HD1 PHE 24 HD1 PHE 24 -0.517 14.535 -14.097 333 HD2 PHE 24 HD2 PHE 24 1.553 12.850 -10.736 334 HE1 PHE 24 HE1 PHE 24 1.266 13.718 -15.605 335 HE2 PHE 24 HE2 PHE 24 3.348 12.018 -12.250 336 HZ PHE 24 HZ PHE 24 3.208 12.476 -14.702 337 H PHE 25 H PHE 25 0.565 14.687 -8.841 338 HA PHE 25 HA PHE 25 3.293 15.691 -9.491 339 HB2 PHE 25 1HB PHE 25 3.687 16.213 -7.139 340 HB3 PHE 25 2HB PHE 25 2.346 17.178 -7.763 341 HD1 PHE 25 HD1 PHE 25 3.309 14.430 -5.490 342 HD2 PHE 25 HD2 PHE 25 0.056 16.823 -6.971 343 HE1 PHE 25 HE1 PHE 25 1.863 13.596 -3.640 344 HE2 PHE 25 HE2 PHE 25 -1.391 16.007 -5.122 345 HZ PHE 25 HZ PHE 25 -0.499 14.375 -3.459 346 H TYR 26 H TYR 26 4.967 14.426 -8.339 347 HA TYR 26 HA TYR 26 4.083 11.757 -7.385 348 HB2 TYR 26 1HB TYR 26 4.549 11.502 -9.818 349 HB3 TYR 26 2HB TYR 26 6.161 12.195 -9.568 350 HD1 TYR 26 HD2 TYR 26 3.955 9.296 -8.760 351 HD2 TYR 26 HD1 TYR 26 7.958 10.865 -8.636 352 HE1 TYR 26 HE2 TYR 26 4.822 7.048 -8.139 353 HE2 TYR 26 HE1 TYR 26 8.821 8.607 -8.025 354 HH TYR 26 HH TYR 26 8.307 6.425 -7.618 355 H THR 27 H THR 27 5.512 11.006 -5.796 356 HA THR 27 HA THR 27 7.700 12.916 -5.101 357 HB THR 27 HB THR 27 7.224 12.227 -2.701 358 HG1 THR 27 HG1 THR 27 4.606 11.678 -3.491 359 HG21 THR 27 1HG2 THR 27 6.541 14.410 -3.647 360 HG22 THR 27 2HG2 THR 27 5.346 13.799 -2.482 361 HG23 THR 27 3HG2 THR 27 5.027 13.681 -4.228 362 HA PRO 28 HA PRO 28 9.806 8.897 -5.444 363 HB2 PRO 28 1HB PRO 28 12.284 9.867 -6.050 364 HB3 PRO 28 2HB PRO 28 11.001 9.714 -7.295 365 HG2 PRO 28 1HG PRO 28 11.818 12.132 -5.704 366 HG3 PRO 28 2HG PRO 28 11.590 11.971 -7.475 367 HD2 PRO 28 1HD PRO 28 9.668 12.990 -5.861 368 HD3 PRO 28 2HD PRO 28 9.257 11.978 -7.287 369 H LYS 29 H LYS 29 11.411 7.984 -3.951 370 HA LYS 29 HA LYS 29 12.190 9.758 -1.692 371 HB2 LYS 29 1HB LYS 29 10.637 7.146 -1.433 372 HB3 LYS 29 2HB LYS 29 11.360 8.036 -0.083 373 HG2 LYS 29 1HG LYS 29 9.901 9.962 -0.554 374 HG3 LYS 29 2HG LYS 29 9.210 9.106 -1.936 375 HD2 LYS 29 1HD LYS 29 8.332 7.364 -0.430 376 HD3 LYS 29 2HD LYS 29 8.991 8.256 0.961 377 HE2 LYS 29 1HE LYS 29 6.624 8.813 0.699 378 HE3 LYS 29 2HE LYS 29 7.615 10.234 0.315 379 HZ1 LYS 29 3HZ LYS 29 6.322 8.425 -1.649 380 HZ2 LYS 29 1HZ LYS 29 7.356 9.639 -2.066 381 HZ3 LYS 29 2HZ LYS 29 5.917 9.994 -1.345 382 H THR 30 H THR 30 14.089 9.165 -0.761 383 HA THR 30 HA THR 30 15.617 7.010 -2.122 384 HB THR 30 HB THR 30 17.556 8.330 -0.987 385 HG1 THR 30 HG1 THR 30 16.908 10.484 -0.449 386 HG21 THR 30 1HG2 THR 30 16.978 8.544 -3.454 387 HG22 THR 30 2HG2 THR 30 17.534 10.076 -2.766 388 HG23 THR 30 3HG2 THR 30 15.806 9.816 -3.054 389 HXT THR 30 H02 THR 30 15.100 6.322 1.592 Start of MODEL 3 1 H1 GLY 1 3H0 GLY 1 4.720 0.532 0.056 2 H2 GLY 1 2H0 GLY 1 3.377 -0.208 -0.555 3 H3 GLY 1 1H0 GLY 1 4.713 -0.008 -1.502 4 HA2 GLY 1 1HA GLY 1 3.055 2.171 -0.421 5 HA3 GLY 1 2HA GLY 1 4.480 2.368 -1.463 6 H ILE 2 H ILE 2 2.161 3.521 -2.327 7 HA ILE 2 HA ILE 2 0.429 1.833 -3.817 8 HB ILE 2 HB ILE 2 -0.020 4.181 -3.067 9 HG12 ILE 2 1HG1 ILE 2 -0.467 3.676 -6.024 10 HG13 ILE 2 2HG1 ILE 2 -1.382 2.920 -4.724 11 HG21 ILE 2 1HG2 ILE 2 0.764 6.095 -4.389 12 HG22 ILE 2 2HG2 ILE 2 2.163 5.200 -3.770 13 HG23 ILE 2 3HG2 ILE 2 1.675 5.021 -5.470 14 HD11 ILE 2 3HD1 ILE 2 -1.320 5.893 -5.399 15 HD12 ILE 2 1HD1 ILE 2 -2.670 4.764 -5.628 16 HD13 ILE 2 2HD1 ILE 2 -2.148 5.196 -3.985 17 H VAL 3 H VAL 3 3.527 3.308 -4.726 18 HA VAL 3 HA VAL 3 3.301 2.816 -7.504 19 HB VAL 3 HB VAL 3 4.965 4.354 -6.607 20 HG11 VAL 3 1HG1 VAL 3 6.983 3.607 -5.440 21 HG12 VAL 3 2HG1 VAL 3 5.534 3.187 -4.512 22 HG13 VAL 3 3HG1 VAL 3 6.395 1.932 -5.438 23 HG21 VAL 3 3HG2 VAL 3 5.385 3.280 -8.806 24 HG22 VAL 3 1HG2 VAL 3 6.885 3.716 -7.969 25 HG23 VAL 3 2HG2 VAL 3 6.350 2.023 -8.000 26 H GLU 4 H GLU 4 4.258 0.610 -4.861 27 HA GLU 4 HA GLU 4 5.350 -1.388 -6.608 28 HB2 GLU 4 1HB GLU 4 4.194 -1.455 -3.823 29 HB3 GLU 4 2HB GLU 4 4.558 -2.954 -4.681 30 HG2 GLU 4 1HG GLU 4 6.461 -2.508 -3.400 31 HG3 GLU 4 2HG GLU 4 6.878 -2.076 -5.063 32 HE2 GLU 4 HE2 GLU 4 8.283 -0.730 -4.638 33 H GLN 5 H GLN 5 2.030 -0.765 -5.431 34 HA GLN 5 HA GLN 5 0.900 -3.185 -6.403 35 HB2 GLN 5 1HB GLN 5 -0.390 -0.436 -6.193 36 HB3 GLN 5 2HB GLN 5 -1.250 -1.965 -6.357 37 HG2 GLN 5 1HG GLN 5 0.497 -1.173 -3.990 38 HG3 GLN 5 2HG GLN 5 -1.266 -1.092 -4.039 39 HE21 GLN 5 2HE2 GLN 5 0.024 -2.524 -2.074 40 HE22 GLN 5 1HE2 GLN 5 -0.266 -4.229 -2.321 41 H CYS 6 H CYS 6 1.429 -0.017 -7.945 42 HA CYS 6 HA CYS 6 0.147 -0.832 -10.417 43 HB2 CYS 6 1HB CYS 6 1.828 1.516 -9.539 44 HB3 CYS 6 2HB CYS 6 1.419 1.274 -11.246 45 H CYS 7 H CYS 7 3.427 -0.992 -9.155 46 HA CYS 7 HA CYS 7 4.692 -1.350 -11.715 47 HB2 CYS 7 1HB CYS 7 5.732 -0.594 -9.505 48 HB3 CYS 7 2HB CYS 7 5.682 -2.282 -8.999 49 H THR 8 H THR 8 3.729 -3.607 -9.079 50 HA THR 8 HA THR 8 4.532 -5.872 -10.758 51 HB THR 8 HB THR 8 5.026 -5.696 -8.282 52 HG1 THR 8 HG1 THR 8 3.661 -7.941 -9.381 53 HG21 THR 8 1HG2 THR 8 2.231 -6.761 -7.857 54 HG22 THR 8 2HG2 THR 8 2.584 -5.028 -7.707 55 HG23 THR 8 3HG2 THR 8 3.413 -6.190 -6.659 56 H SER 9 H SER 9 1.511 -4.262 -9.975 57 HA SER 9 HA SER 9 0.133 -6.446 -11.468 58 HB2 SER 9 1HB SER 9 -0.870 -5.055 -8.922 59 HB3 SER 9 2HB SER 9 -1.803 -6.216 -9.890 60 HG SER 9 HG SER 9 -0.640 -7.074 -8.006 61 H ILE 10 H ILE 10 -2.361 -5.520 -11.740 62 HA ILE 10 HA ILE 10 -1.759 -3.669 -13.853 63 HB ILE 10 HB ILE 10 -4.413 -4.763 -12.853 64 HG12 ILE 10 1HG1 ILE 10 -2.818 -6.440 -13.760 65 HG13 ILE 10 2HG1 ILE 10 -4.303 -6.297 -14.696 66 HG21 ILE 10 1HG2 ILE 10 -4.958 -2.713 -13.982 67 HG22 ILE 10 2HG2 ILE 10 -3.803 -3.040 -15.293 68 HG23 ILE 10 3HG2 ILE 10 -5.284 -4.019 -15.131 69 HD11 ILE 10 3HD1 ILE 10 -2.281 -6.553 -16.120 70 HD12 ILE 10 1HD1 ILE 10 -3.150 -5.045 -16.448 71 HD13 ILE 10 2HD1 ILE 10 -1.654 -5.016 -15.491 72 H CYS 11 H CYS 11 -1.526 -1.616 -13.766 73 HA CYS 11 HA CYS 11 -2.781 -0.059 -11.587 74 HB2 CYS 11 1HB CYS 11 -0.329 0.107 -12.385 75 HB3 CYS 11 2HB CYS 11 -0.974 0.922 -13.797 76 H SER 12 H SER 12 -4.941 -0.338 -12.344 77 HA SER 12 HA SER 12 -5.717 0.365 -15.046 78 HB2 SER 12 1HB SER 12 -8.009 0.190 -14.150 79 HB3 SER 12 2HB SER 12 -7.020 -1.190 -13.630 80 HG SER 12 HG SER 12 -7.983 -0.505 -11.804 81 H LEU 13 H LEU 13 -7.387 2.172 -15.399 82 HA LEU 13 HA LEU 13 -6.200 4.659 -14.785 83 HB2 LEU 13 1HB LEU 13 -8.107 5.680 -15.777 84 HB3 LEU 13 2HB LEU 13 -7.715 4.227 -16.681 85 HG LEU 13 HG LEU 13 -9.629 3.253 -14.979 86 HD11 LEU 13 1HD1 LEU 13 -11.491 4.887 -14.983 87 HD12 LEU 13 2HD1 LEU 13 -10.410 6.124 -15.661 88 HD13 LEU 13 3HD1 LEU 13 -10.116 5.476 -14.029 89 HD21 LEU 13 3HD2 LEU 13 -10.064 4.589 -17.676 90 HD22 LEU 13 1HD2 LEU 13 -11.142 3.395 -16.911 91 HD23 LEU 13 2HD2 LEU 13 -9.506 2.918 -17.405 92 H TYR 14 H TYR 14 -8.576 2.789 -12.968 93 HA TYR 14 HA TYR 14 -9.439 4.937 -11.271 94 HB2 TYR 14 1HB TYR 14 -9.318 1.993 -10.568 95 HB3 TYR 14 2HB TYR 14 -10.442 3.209 -9.953 96 HD1 TYR 14 HD2 TYR 14 -12.120 4.250 -11.661 97 HD2 TYR 14 HD1 TYR 14 -9.824 0.704 -12.478 98 HE1 TYR 14 HE2 TYR 14 -13.691 3.653 -13.509 99 HE2 TYR 14 HE1 TYR 14 -11.385 0.128 -14.343 100 HH TYR 14 HH TYR 14 -14.218 2.133 -15.146 101 H GLN 15 H GLN 15 -6.815 2.538 -11.098 102 HA GLN 15 HA GLN 15 -5.966 3.248 -8.426 103 HB2 GLN 15 1HB GLN 15 -4.488 1.961 -10.753 104 HB3 GLN 15 2HB GLN 15 -3.837 2.117 -9.121 105 HG2 GLN 15 1HG GLN 15 -6.368 0.603 -9.834 106 HG3 GLN 15 2HG GLN 15 -4.771 -0.121 -9.594 107 HE21 GLN 15 2HE2 GLN 15 -7.568 0.045 -8.117 108 HE22 GLN 15 1HE2 GLN 15 -7.076 0.209 -6.451 109 H LEU 16 H LEU 16 -5.140 4.273 -11.722 110 HA LEU 16 HA LEU 16 -3.018 6.044 -10.994 111 HB2 LEU 16 1HB LEU 16 -4.902 5.958 -13.354 112 HB3 LEU 16 2HB LEU 16 -3.601 7.138 -13.224 113 HG LEU 16 HG LEU 16 -3.111 4.148 -13.086 114 HD11 LEU 16 1HD1 LEU 16 -2.466 4.219 -15.418 115 HD12 LEU 16 2HD1 LEU 16 -2.903 5.938 -15.519 116 HD13 LEU 16 3HD1 LEU 16 -4.155 4.707 -15.241 117 HD21 LEU 16 3HD2 LEU 16 -0.820 4.777 -13.696 118 HD22 LEU 16 1HD2 LEU 16 -1.306 5.587 -12.199 119 HD23 LEU 16 2HD2 LEU 16 -1.280 6.491 -13.731 120 H GLU 17 H GLU 17 -6.567 6.556 -11.140 121 HA GLU 17 HA GLU 17 -6.487 9.387 -10.798 122 HB2 GLU 17 1HB GLU 17 -8.515 7.281 -10.020 123 HB3 GLU 17 2HB GLU 17 -8.755 8.989 -9.647 124 HG2 GLU 17 1HG GLU 17 -8.546 9.537 -12.048 125 HG3 GLU 17 2HG GLU 17 -8.405 7.817 -12.412 126 HE2 GLU 17 HE2 GLU 17 -11.724 7.239 -11.465 127 H ASN 18 H ASN 18 -5.905 6.799 -8.466 128 HA ASN 18 HA ASN 18 -6.364 8.403 -6.121 129 HB2 ASN 18 1HB ASN 18 -4.600 5.960 -6.502 130 HB3 ASN 18 2HB ASN 18 -5.004 6.685 -4.945 131 HD21 ASN 18 2HD2 ASN 18 -5.584 4.013 -6.201 132 HD22 ASN 18 1HD2 ASN 18 -7.313 3.837 -6.018 133 H TYR 19 H TYR 19 -3.668 8.197 -8.351 134 HA TYR 19 HA TYR 19 -1.684 9.392 -6.552 135 HB2 TYR 19 1HB TYR 19 -1.869 8.999 -9.533 136 HB3 TYR 19 2HB TYR 19 -0.494 9.785 -8.786 137 HD1 TYR 19 HD2 TYR 19 -2.377 6.548 -8.915 138 HD2 TYR 19 HD1 TYR 19 1.289 8.524 -7.863 139 HE1 TYR 19 HE2 TYR 19 -1.277 4.340 -8.592 140 HE2 TYR 19 HE1 TYR 19 2.378 6.307 -7.554 141 HH TYR 19 HH TYR 19 0.626 3.242 -8.064 142 H CYS 20 H CYS 20 -4.388 10.492 -8.371 143 HA CYS 20 HA CYS 20 -3.270 13.112 -9.051 144 HB2 CYS 20 1HB CYS 20 -5.212 11.518 -10.142 145 HB3 CYS 20 2HB CYS 20 -6.198 12.633 -9.195 146 H ASN 21 H ASN 21 -3.078 14.608 -7.522 147 HA ASN 21 HA ASN 21 -3.415 15.986 -5.758 148 HB2 ASN 21 1HB ASN 21 -5.420 16.770 -6.778 149 HB3 ASN 21 2HB ASN 21 -6.324 15.340 -6.294 150 HD21 ASN 21 2HD2 ASN 21 -4.752 18.289 -5.115 151 HD22 ASN 21 1HD2 ASN 21 -5.650 18.351 -3.622 152 HXT ASN 21 H02 ASN 21 -5.257 13.259 -5.220 153 H1 PHE 1 3H0 PHE 1 -9.409 2.777 -22.126 154 H2 PHE 1 2H0 PHE 1 -8.946 4.352 -22.297 155 H3 PHE 1 1H0 PHE 1 -8.472 3.224 -23.405 156 HA PHE 1 HA PHE 1 -6.631 3.753 -21.972 157 HB2 PHE 1 1HB PHE 1 -8.051 4.445 -20.057 158 HB3 PHE 1 2HB PHE 1 -8.519 2.761 -19.799 159 HD1 PHE 1 HD2 PHE 1 -5.665 5.158 -19.692 160 HD2 PHE 1 HD1 PHE 1 -7.087 1.239 -18.596 161 HE1 PHE 1 HE2 PHE 1 -3.666 4.838 -18.251 162 HE2 PHE 1 HE1 PHE 1 -5.083 0.916 -17.155 163 HZ PHE 1 HZ PHE 1 -3.363 2.709 -16.992 164 H VAL 2 H VAL 2 -5.048 2.091 -21.601 165 HA VAL 2 HA VAL 2 -6.095 -0.679 -22.061 166 HB VAL 2 HB VAL 2 -3.394 0.491 -22.908 167 HG11 VAL 2 1HG1 VAL 2 -3.232 -1.907 -22.336 168 HG12 VAL 2 2HG1 VAL 2 -4.624 -2.268 -23.386 169 HG13 VAL 2 3HG1 VAL 2 -3.100 -1.683 -24.091 170 HG21 VAL 2 3HG2 VAL 2 -5.160 1.364 -24.356 171 HG22 VAL 2 1HG2 VAL 2 -4.246 0.129 -25.240 172 HG23 VAL 2 2HG2 VAL 2 -5.843 -0.268 -24.568 173 H ASN 3 H ASN 3 -5.884 -1.896 -20.286 174 HA ASN 3 HA ASN 3 -4.377 -1.056 -17.994 175 HB2 ASN 3 1HB ASN 3 -5.582 -3.711 -18.824 176 HB3 ASN 3 2HB ASN 3 -4.671 -3.497 -17.327 177 HD21 ASN 3 2HD2 ASN 3 -7.579 -4.100 -17.925 178 HD22 ASN 3 1HD2 ASN 3 -8.463 -2.907 -17.008 179 H GLN 4 H GLN 4 -2.364 -1.450 -17.372 180 HA GLN 4 HA GLN 4 -0.879 -3.745 -18.331 181 HB2 GLN 4 1HB GLN 4 0.982 -2.415 -19.281 182 HB3 GLN 4 2HB GLN 4 -0.495 -2.184 -20.221 183 HG2 GLN 4 1HG GLN 4 -0.869 -0.041 -18.880 184 HG3 GLN 4 2HG GLN 4 0.774 -0.256 -18.271 185 HE21 GLN 4 2HE2 GLN 4 -1.173 0.126 -21.199 186 HE22 GLN 4 1HE2 GLN 4 0.087 0.881 -22.149 187 H HIS 5 H HIS 5 1.005 -3.903 -17.048 188 HA HIS 5 HA HIS 5 0.909 -2.676 -14.402 189 HB2 HIS 5 1HB HIS 5 3.228 -4.082 -15.803 190 HB3 HIS 5 2HB HIS 5 3.083 -3.754 -14.074 191 HD1 HIS 5 HD1 HIS 5 0.380 -4.770 -13.332 192 HD2 HIS 5 HD2 HIS 5 2.796 -6.765 -16.022 193 HE1 HIS 5 HE1 HIS 5 -0.399 -7.214 -13.376 194 HE2 HIS 5 HE2 HIS 5 1.106 -8.402 -15.011 195 H LEU 6 H LEU 6 2.122 -0.866 -13.706 196 HA LEU 6 HA LEU 6 3.588 0.624 -15.854 197 HB2 LEU 6 1HB LEU 6 1.409 1.627 -14.004 198 HB3 LEU 6 2HB LEU 6 2.524 2.695 -14.835 199 HG LEU 6 HG LEU 6 0.645 0.805 -16.271 200 HD11 LEU 6 1HD1 LEU 6 -0.652 2.867 -16.764 201 HD12 LEU 6 2HD1 LEU 6 0.378 3.746 -15.609 202 HD13 LEU 6 3HD1 LEU 6 -0.665 2.427 -15.054 203 HD21 LEU 6 3HD2 LEU 6 2.347 3.150 -17.204 204 HD22 LEU 6 1HD2 LEU 6 1.145 2.315 -18.204 205 HD23 LEU 6 2HD2 LEU 6 2.571 1.433 -17.630 206 H CYS 7 H CYS 7 5.578 1.061 -15.199 207 HA CYS 7 HA CYS 7 6.015 1.763 -12.346 208 HB2 CYS 7 1HB CYS 7 6.401 -0.767 -13.053 209 HB3 CYS 7 2HB CYS 7 7.901 -0.131 -13.735 210 H GLY 8 H GLY 8 8.061 2.927 -12.048 211 HA2 GLY 8 1HA GLY 8 9.649 4.473 -12.707 212 HA3 GLY 8 2HA GLY 8 9.811 3.530 -14.200 213 H SER 9 H SER 9 9.988 5.229 -15.621 214 HA SER 9 HA SER 9 8.407 7.554 -15.640 215 HB2 SER 9 1HB SER 9 9.252 6.418 -18.254 216 HB3 SER 9 2HB SER 9 9.580 8.016 -17.538 217 HG SER 9 HG SER 9 11.494 6.885 -17.513 218 H HIS 10 H HIS 10 7.609 4.311 -16.830 219 HA HIS 10 HA HIS 10 5.539 5.066 -18.652 220 HB2 HIS 10 1HB HIS 10 6.484 2.639 -17.356 221 HB3 HIS 10 2HB HIS 10 4.723 2.672 -17.399 222 HD1 HIS 10 HD1 HIS 10 3.560 2.311 -19.698 223 HD2 HIS 10 HD2 HIS 10 7.740 2.604 -19.911 224 HE1 HIS 10 HE1 HIS 10 4.228 1.639 -22.057 225 HE2 HIS 10 HE2 HIS 10 6.750 1.828 -22.175 226 H LEU 11 H LEU 11 5.567 4.671 -15.121 227 HA LEU 11 HA LEU 11 2.713 4.795 -14.787 228 HB2 LEU 11 1HB LEU 11 4.348 3.965 -13.086 229 HB3 LEU 11 2HB LEU 11 4.962 5.603 -12.904 230 HG LEU 11 HG LEU 11 2.745 6.318 -12.023 231 HD11 LEU 11 1HD1 LEU 11 2.144 3.339 -12.109 232 HD12 LEU 11 2HD1 LEU 11 1.322 4.607 -13.044 233 HD13 LEU 11 3HD1 LEU 11 1.165 4.573 -11.281 234 HD21 LEU 11 3HD2 LEU 11 4.064 3.978 -10.592 235 HD22 LEU 11 1HD2 LEU 11 3.041 5.224 -9.839 236 HD23 LEU 11 2HD2 LEU 11 4.606 5.676 -10.542 237 H VAL 12 H VAL 12 5.315 7.221 -14.733 238 HA VAL 12 HA VAL 12 3.671 9.447 -14.051 239 HB VAL 12 HB VAL 12 6.289 9.367 -15.635 240 HG11 VAL 12 1HG1 VAL 12 5.130 11.538 -15.806 241 HG12 VAL 12 2HG1 VAL 12 5.035 11.628 -14.034 242 HG13 VAL 12 3HG1 VAL 12 6.616 11.667 -14.846 243 HG21 VAL 12 3HG2 VAL 12 5.766 9.557 -12.634 244 HG22 VAL 12 1HG2 VAL 12 6.583 8.233 -13.495 245 HG23 VAL 12 2HG2 VAL 12 7.347 9.828 -13.400 246 H GLU 13 H GLU 13 4.686 8.077 -17.195 247 HA GLU 13 HA GLU 13 3.550 10.126 -18.830 248 HB2 GLU 13 1HB GLU 13 4.126 7.189 -19.300 249 HB3 GLU 13 2HB GLU 13 3.537 8.262 -20.574 250 HG2 GLU 13 1HG GLU 13 5.510 9.639 -20.440 251 HG3 GLU 13 2HG GLU 13 6.077 8.788 -19.003 252 HE2 GLU 13 HE2 GLU 13 7.432 7.608 -22.268 253 H ALA 14 H ALA 14 2.151 7.234 -17.323 254 HA ALA 14 HA ALA 14 -0.306 7.382 -18.854 255 HB1 ALA 14 3HB ALA 14 -1.079 5.677 -17.294 256 HB2 ALA 14 1HB ALA 14 0.565 5.298 -17.860 257 HB3 ALA 14 2HB ALA 14 0.320 5.984 -16.237 258 H LEU 15 H LEU 15 0.865 8.681 -15.765 259 HA LEU 15 HA LEU 15 -1.706 9.418 -14.763 260 HB2 LEU 15 1HB LEU 15 1.101 10.377 -14.215 261 HB3 LEU 15 2HB LEU 15 -0.294 11.121 -13.438 262 HG LEU 15 HG LEU 15 0.336 8.168 -13.237 263 HD11 LEU 15 1HD1 LEU 15 2.131 9.521 -12.202 264 HD12 LEU 15 2HD1 LEU 15 1.188 8.604 -11.009 265 HD13 LEU 15 3HD1 LEU 15 0.905 10.348 -11.210 266 HD21 LEU 15 3HD2 LEU 15 -1.252 8.215 -11.410 267 HD22 LEU 15 1HD2 LEU 15 -2.022 8.798 -12.883 268 HD23 LEU 15 2HD2 LEU 15 -1.510 9.961 -11.645 269 H TYR 16 H TYR 16 0.487 11.030 -17.040 270 HA TYR 16 HA TYR 16 -0.835 13.574 -17.012 271 HB2 TYR 16 1HB TYR 16 0.689 12.071 -19.162 272 HB3 TYR 16 2HB TYR 16 -0.055 13.642 -19.466 273 HD1 TYR 16 HD1 TYR 16 0.613 15.633 -17.956 274 HD2 TYR 16 HD2 TYR 16 2.863 11.976 -18.178 275 HE1 TYR 16 HE1 TYR 16 2.613 16.799 -17.022 276 HE2 TYR 16 HE2 TYR 16 4.866 13.159 -17.271 277 HH TYR 16 HH TYR 16 4.800 16.602 -16.369 278 H LEU 17 H LEU 17 -1.604 10.500 -18.632 279 HA LEU 17 HA LEU 17 -3.647 11.653 -20.317 280 HB2 LEU 17 1HB LEU 17 -3.379 8.809 -19.310 281 HB3 LEU 17 2HB LEU 17 -4.369 9.361 -20.647 282 HG LEU 17 HG LEU 17 -1.333 9.464 -20.599 283 HD11 LEU 17 1HD1 LEU 17 -1.426 7.483 -22.049 284 HD12 LEU 17 2HD1 LEU 17 -3.201 7.449 -21.914 285 HD13 LEU 17 3HD1 LEU 17 -2.188 7.148 -20.479 286 HD21 LEU 17 3HD2 LEU 17 -3.335 9.830 -22.867 287 HD22 LEU 17 1HD2 LEU 17 -1.567 9.753 -23.052 288 HD23 LEU 17 2HD2 LEU 17 -2.304 11.092 -22.153 289 H VAL 18 H VAL 18 -3.668 10.025 -17.149 290 HA VAL 18 HA VAL 18 -6.574 9.908 -17.089 291 HB VAL 18 HB VAL 18 -4.501 9.367 -14.909 292 HG11 VAL 18 1HG1 VAL 18 -6.322 8.048 -13.830 293 HG12 VAL 18 2HG1 VAL 18 -6.703 9.776 -13.911 294 HG13 VAL 18 3HG1 VAL 18 -7.465 8.649 -15.058 295 HG21 VAL 18 3HG2 VAL 18 -5.085 6.951 -15.525 296 HG22 VAL 18 1HG2 VAL 18 -5.873 7.598 -16.976 297 HG23 VAL 18 2HG2 VAL 18 -4.127 7.838 -16.719 298 H CYS 19 H CYS 19 -4.079 11.927 -15.496 299 HA CYS 19 HA CYS 19 -6.146 13.453 -14.087 300 HB2 CYS 19 1HB CYS 19 -3.161 13.828 -14.457 301 HB3 CYS 19 2HB CYS 19 -4.182 14.929 -13.523 302 H GLY 20 H GLY 20 -4.630 13.505 -17.246 303 HA2 GLY 20 1HA GLY 20 -4.913 14.986 -18.985 304 HA3 GLY 20 2HA GLY 20 -6.355 15.582 -18.141 305 H GLU 21 H GLU 21 -6.056 17.713 -18.558 306 HA GLU 21 HA GLU 21 -3.607 19.111 -18.313 307 HB2 GLU 21 1HB GLU 21 -5.774 19.703 -19.539 308 HB3 GLU 21 2HB GLU 21 -6.378 20.292 -17.986 309 HG2 GLU 21 1HG GLU 21 -4.508 21.922 -17.897 310 HG3 GLU 21 2HG GLU 21 -3.914 21.317 -19.451 311 HE2 GLU 21 HE2 GLU 21 -4.320 23.684 -19.333 312 H ARG 22 H ARG 22 -5.746 18.066 -15.717 313 HA ARG 22 HA ARG 22 -5.233 20.327 -14.019 314 HB2 ARG 22 1HB ARG 22 -6.666 19.385 -12.594 315 HB3 ARG 22 2HB ARG 22 -7.053 18.371 -13.982 316 HG2 ARG 22 1HG ARG 22 -5.306 16.724 -13.038 317 HG3 ARG 22 2HG ARG 22 -5.371 17.705 -11.559 318 HD2 ARG 22 1HD ARG 22 -6.946 16.043 -11.174 319 HD3 ARG 22 2HD ARG 22 -7.931 17.406 -11.754 320 HE ARG 22 HE ARG 22 -7.193 15.944 -14.021 321 HH11 ARG 22 1HH1 ARG 22 -9.100 15.287 -11.111 322 HH12 ARG 22 2HH1 ARG 22 -10.072 14.079 -11.908 323 HH21 ARG 22 1HH2 ARG 22 -8.462 14.383 -14.956 324 HH22 ARG 22 2HH2 ARG 22 -9.715 13.580 -14.052 325 H GLY 23 H GLY 23 -3.264 17.628 -14.842 326 HA2 GLY 23 1HA GLY 23 -1.056 17.284 -14.218 327 HA3 GLY 23 2HA GLY 23 -1.178 18.635 -13.082 328 H PHE 24 H PHE 24 0.272 16.772 -12.094 329 HA PHE 24 HA PHE 24 -1.228 15.582 -9.900 330 HB2 PHE 24 1HB PHE 24 -0.569 13.269 -10.374 331 HB3 PHE 24 2HB PHE 24 -1.602 13.883 -11.661 332 HD1 PHE 24 HD1 PHE 24 -0.709 14.400 -13.885 333 HD2 PHE 24 HD2 PHE 24 1.769 12.742 -10.796 334 HE1 PHE 24 HE1 PHE 24 1.019 13.842 -15.569 335 HE2 PHE 24 HE2 PHE 24 3.503 12.171 -12.477 336 HZ PHE 24 HZ PHE 24 3.132 12.735 -14.884 337 H PHE 25 H PHE 25 0.580 14.138 -8.689 338 HA PHE 25 HA PHE 25 3.293 15.208 -9.232 339 HB2 PHE 25 1HB PHE 25 3.679 15.543 -6.819 340 HB3 PHE 25 2HB PHE 25 2.435 16.633 -7.438 341 HD1 PHE 25 HD2 PHE 25 3.035 13.586 -5.380 342 HD2 PHE 25 HD1 PHE 25 0.171 16.540 -6.644 343 HE1 PHE 25 HE2 PHE 25 1.453 12.795 -3.627 344 HE2 PHE 25 HE1 PHE 25 -1.401 15.774 -4.877 345 HZ PHE 25 HZ PHE 25 -0.776 13.891 -3.374 346 H TYR 26 H TYR 26 4.898 13.854 -7.932 347 HA TYR 26 HA TYR 26 3.927 11.124 -7.299 348 HB2 TYR 26 1HB TYR 26 4.566 10.981 -9.678 349 HB3 TYR 26 2HB TYR 26 6.113 11.768 -9.327 350 HD1 TYR 26 HD2 TYR 26 4.075 8.737 -8.399 351 HD2 TYR 26 HD1 TYR 26 8.003 10.455 -8.778 352 HE1 TYR 26 HE2 TYR 26 5.103 6.534 -7.842 353 HE2 TYR 26 HE1 TYR 26 9.017 8.249 -8.229 354 HH TYR 26 HH TYR 26 8.656 6.096 -7.663 355 H THR 27 H THR 27 5.430 10.115 -5.823 356 HA THR 27 HA THR 27 7.277 12.100 -4.561 357 HB THR 27 HB THR 27 6.890 10.783 -2.474 358 HG1 THR 27 HG1 THR 27 6.231 8.842 -3.488 359 HG21 THR 27 1HG2 THR 27 5.524 12.822 -3.033 360 HG22 THR 27 2HG2 THR 27 4.658 11.642 -2.026 361 HG23 THR 27 3HG2 THR 27 4.302 11.752 -3.761 362 HA PRO 28 HA PRO 28 10.045 8.653 -5.767 363 HB2 PRO 28 1HB PRO 28 12.143 10.099 -6.693 364 HB3 PRO 28 2HB PRO 28 10.675 9.862 -7.697 365 HG2 PRO 28 1HG PRO 28 11.433 12.204 -5.965 366 HG3 PRO 28 2HG PRO 28 10.872 12.194 -7.666 367 HD2 PRO 28 1HD PRO 28 9.211 12.668 -5.546 368 HD3 PRO 28 2HD PRO 28 8.654 11.865 -7.051 369 H LYS 29 H LYS 29 12.267 8.156 -4.856 370 HA LYS 29 HA LYS 29 13.018 9.910 -2.558 371 HB2 LYS 29 1HB LYS 29 12.977 6.868 -2.541 372 HB3 LYS 29 2HB LYS 29 13.665 7.908 -1.286 373 HG2 LYS 29 1HG LYS 29 11.273 8.923 -1.134 374 HG3 LYS 29 2HG LYS 29 10.768 7.452 -1.985 375 HD2 LYS 29 1HD LYS 29 12.295 7.557 0.663 376 HD3 LYS 29 2HD LYS 29 10.565 7.243 0.481 377 HE2 LYS 29 1HE LYS 29 11.332 5.080 0.674 378 HE3 LYS 29 2HE LYS 29 11.398 5.262 -1.087 379 HZ1 LYS 29 3HZ LYS 29 13.704 5.596 0.769 380 HZ2 LYS 29 1HZ LYS 29 13.777 5.753 -0.872 381 HZ3 LYS 29 2HZ LYS 29 13.439 4.284 -0.198 382 H THR 30 H THR 30 14.850 10.784 -3.300 383 HA THR 30 HA THR 30 16.669 9.333 -5.060 384 HB THR 30 HB THR 30 18.027 11.563 -4.423 385 HG1 THR 30 HG1 THR 30 16.520 13.162 -3.739 386 HG21 THR 30 1HG2 THR 30 16.684 12.804 -6.146 387 HG22 THR 30 2HG2 THR 30 15.370 11.623 -5.999 388 HG23 THR 30 3HG2 THR 30 16.940 11.132 -6.666 389 HXT THR 30 H02 THR 30 19.240 8.716 -2.928 Start of MODEL 4 1 H1 GLY 1 3H0 GLY 1 2.608 -1.359 -1.625 2 H2 GLY 1 2H0 GLY 1 2.224 -0.957 -0.071 3 H3 GLY 1 1H0 GLY 1 1.028 -1.319 -1.150 4 HA2 GLY 1 1HA GLY 1 1.143 1.058 -0.771 5 HA3 GLY 1 2HA GLY 1 2.830 1.014 -1.324 6 H ILE 2 H ILE 2 0.750 2.628 -2.583 7 HA ILE 2 HA ILE 2 -0.560 1.200 -4.626 8 HB ILE 2 HB ILE 2 -1.188 3.449 -3.731 9 HG12 ILE 2 1HG1 ILE 2 -0.973 3.293 -6.752 10 HG13 ILE 2 2HG1 ILE 2 -2.128 2.383 -5.781 11 HG21 ILE 2 1HG2 ILE 2 1.080 4.531 -3.857 12 HG22 ILE 2 2HG2 ILE 2 0.935 4.562 -5.632 13 HG23 ILE 2 3HG2 ILE 2 -0.190 5.494 -4.626 14 HD11 ILE 2 3HD1 ILE 2 -3.252 4.302 -6.687 15 HD12 ILE 2 1HD1 ILE 2 -3.061 4.565 -4.942 16 HD13 ILE 2 2HD1 ILE 2 -1.993 5.408 -6.098 17 H VAL 3 H VAL 3 2.661 2.750 -4.743 18 HA VAL 3 HA VAL 3 2.963 2.412 -7.572 19 HB VAL 3 HB VAL 3 5.176 2.430 -5.470 20 HG11 VAL 3 1HG1 VAL 3 6.545 3.366 -7.335 21 HG12 VAL 3 2HG1 VAL 3 5.925 1.747 -7.738 22 HG13 VAL 3 3HG1 VAL 3 5.157 3.188 -8.434 23 HG21 VAL 3 3HG2 VAL 3 3.770 4.754 -6.851 24 HG22 VAL 3 1HG2 VAL 3 3.748 4.385 -5.108 25 HG23 VAL 3 2HG2 VAL 3 5.258 4.899 -5.891 26 H GLU 4 H GLU 4 3.738 0.384 -4.768 27 HA GLU 4 HA GLU 4 5.107 -1.691 -6.149 28 HB2 GLU 4 1HB GLU 4 5.005 -1.312 -3.664 29 HB3 GLU 4 2HB GLU 4 3.326 -1.839 -3.693 30 HG2 GLU 4 1HG GLU 4 4.091 -4.064 -4.529 31 HG3 GLU 4 2HG GLU 4 5.756 -3.520 -4.281 32 HE2 GLU 4 HE2 GLU 4 5.077 -5.169 -1.313 33 H GLN 5 H GLN 5 1.651 -1.184 -5.362 34 HA GLN 5 HA GLN 5 0.758 -3.676 -6.480 35 HB2 GLN 5 1HB GLN 5 -0.628 -1.040 -5.894 36 HB3 GLN 5 2HB GLN 5 -1.486 -2.477 -6.463 37 HG2 GLN 5 1HG GLN 5 -1.087 -3.671 -4.481 38 HG3 GLN 5 2HG GLN 5 0.269 -2.642 -4.012 39 HE21 GLN 5 2HE2 GLN 5 -3.265 -2.588 -4.485 40 HE22 GLN 5 1HE2 GLN 5 -3.565 -1.413 -3.228 41 H CYS 6 H CYS 6 1.157 -0.388 -7.823 42 HA CYS 6 HA CYS 6 -0.028 -1.056 -10.377 43 HB2 CYS 6 1HB CYS 6 1.648 1.208 -9.297 44 HB3 CYS 6 2HB CYS 6 1.310 1.083 -11.031 45 H CYS 7 H CYS 7 3.139 -1.525 -9.009 46 HA CYS 7 HA CYS 7 4.411 -1.862 -11.617 47 HB2 CYS 7 1HB CYS 7 5.251 -1.988 -8.757 48 HB3 CYS 7 2HB CYS 7 6.184 -2.938 -9.923 49 H THR 8 H THR 8 3.359 -3.987 -8.896 50 HA THR 8 HA THR 8 4.236 -6.350 -10.372 51 HB THR 8 HB THR 8 4.327 -6.082 -7.827 52 HG1 THR 8 HG1 THR 8 3.823 -8.313 -7.567 53 HG21 THR 8 1HG2 THR 8 2.399 -6.606 -6.518 54 HG22 THR 8 2HG2 THR 8 1.434 -6.991 -7.959 55 HG23 THR 8 3HG2 THR 8 1.904 -5.308 -7.622 56 H SER 9 H SER 9 1.243 -4.554 -10.084 57 HA SER 9 HA SER 9 0.012 -6.608 -11.833 58 HB2 SER 9 1HB SER 9 -0.724 -6.896 -9.388 59 HB3 SER 9 2HB SER 9 -1.511 -5.310 -9.525 60 HG SER 9 HG SER 9 -2.812 -7.272 -10.005 61 H ILE 10 H ILE 10 -2.401 -5.491 -12.340 62 HA ILE 10 HA ILE 10 -1.394 -3.485 -14.182 63 HB ILE 10 HB ILE 10 -4.200 -4.582 -13.770 64 HG12 ILE 10 1HG1 ILE 10 -2.570 -6.306 -14.421 65 HG13 ILE 10 2HG1 ILE 10 -3.758 -6.004 -15.685 66 HG21 ILE 10 1HG2 ILE 10 -4.388 -2.422 -14.859 67 HG22 ILE 10 2HG2 ILE 10 -3.085 -2.826 -15.999 68 HG23 ILE 10 3HG2 ILE 10 -4.647 -3.683 -16.072 69 HD11 ILE 10 3HD1 ILE 10 -1.511 -6.332 -16.610 70 HD12 ILE 10 1HD1 ILE 10 -2.099 -4.702 -16.954 71 HD13 ILE 10 2HD1 ILE 10 -0.909 -4.951 -15.675 72 H CYS 11 H CYS 11 -1.273 -1.422 -13.921 73 HA CYS 11 HA CYS 11 -2.713 -0.118 -11.710 74 HB2 CYS 11 1HB CYS 11 -0.246 0.215 -12.422 75 HB3 CYS 11 2HB CYS 11 -0.897 1.172 -13.737 76 H SER 12 H SER 12 -4.826 -0.538 -12.703 77 HA SER 12 HA SER 12 -5.590 0.589 -15.225 78 HB2 SER 12 1HB SER 12 -7.267 0.052 -12.743 79 HB3 SER 12 2HB SER 12 -7.887 0.283 -14.394 80 HG SER 12 HG SER 12 -7.591 -1.959 -13.699 81 H LEU 13 H LEU 13 -7.028 2.458 -15.555 82 HA LEU 13 HA LEU 13 -5.944 4.835 -14.605 83 HB2 LEU 13 1HB LEU 13 -7.761 5.962 -15.646 84 HB3 LEU 13 2HB LEU 13 -7.307 4.579 -16.626 85 HG LEU 13 HG LEU 13 -9.348 3.489 -15.181 86 HD11 LEU 13 1HD1 LEU 13 -11.201 5.141 -15.170 87 HD12 LEU 13 2HD1 LEU 13 -10.055 6.424 -15.622 88 HD13 LEU 13 3HD1 LEU 13 -9.906 5.601 -14.050 89 HD21 LEU 13 3HD2 LEU 13 -10.714 3.843 -17.195 90 HD22 LEU 13 1HD2 LEU 13 -9.049 3.389 -17.610 91 HD23 LEU 13 2HD2 LEU 13 -9.570 5.087 -17.759 92 H TYR 14 H TYR 14 -8.468 2.931 -13.079 93 HA TYR 14 HA TYR 14 -9.513 4.945 -11.371 94 HB2 TYR 14 1HB TYR 14 -9.215 2.009 -10.714 95 HB3 TYR 14 2HB TYR 14 -10.478 3.115 -10.177 96 HD1 TYR 14 HD1 TYR 14 -11.884 4.220 -12.224 97 HD2 TYR 14 HD2 TYR 14 -9.661 0.539 -12.472 98 HE1 TYR 14 HE1 TYR 14 -13.227 3.531 -14.216 99 HE2 TYR 14 HE2 TYR 14 -11.002 -0.130 -14.469 100 HH TYR 14 HH TYR 14 -12.736 0.413 -15.869 101 H GLN 15 H GLN 15 -6.732 2.759 -11.063 102 HA GLN 15 HA GLN 15 -6.113 3.546 -8.321 103 HB2 GLN 15 1HB GLN 15 -4.459 2.174 -10.477 104 HB3 GLN 15 2HB GLN 15 -3.940 2.400 -8.805 105 HG2 GLN 15 1HG GLN 15 -6.375 0.813 -9.676 106 HG3 GLN 15 2HG GLN 15 -4.799 0.135 -9.247 107 HE21 GLN 15 2HE2 GLN 15 -7.774 0.432 -8.073 108 HE22 GLN 15 1HE2 GLN 15 -7.440 0.627 -6.373 109 H LEU 16 H LEU 16 -5.097 4.416 -11.601 110 HA LEU 16 HA LEU 16 -2.945 6.122 -10.889 111 HB2 LEU 16 1HB LEU 16 -4.781 6.065 -13.278 112 HB3 LEU 16 2HB LEU 16 -3.449 7.207 -13.145 113 HG LEU 16 HG LEU 16 -3.062 4.202 -12.954 114 HD11 LEU 16 1HD1 LEU 16 -2.752 5.981 -15.392 115 HD12 LEU 16 2HD1 LEU 16 -3.982 4.718 -15.157 116 HD13 LEU 16 3HD1 LEU 16 -2.277 4.268 -15.272 117 HD21 LEU 16 3HD2 LEU 16 -0.728 4.759 -13.507 118 HD22 LEU 16 1HD2 LEU 16 -1.235 5.561 -12.013 119 HD23 LEU 16 2HD2 LEU 16 -1.135 6.486 -13.528 120 H GLU 17 H GLU 17 -6.449 6.815 -11.064 121 HA GLU 17 HA GLU 17 -6.290 9.639 -10.852 122 HB2 GLU 17 1HB GLU 17 -8.304 7.625 -9.812 123 HB3 GLU 17 2HB GLU 17 -8.513 9.365 -9.592 124 HG2 GLU 17 1HG GLU 17 -8.472 9.695 -12.021 125 HG3 GLU 17 2HG GLU 17 -8.268 7.958 -12.257 126 HE2 GLU 17 HE2 GLU 17 -11.514 7.237 -11.695 127 H ASN 18 H ASN 18 -5.829 7.170 -8.355 128 HA ASN 18 HA ASN 18 -6.172 8.912 -6.107 129 HB2 ASN 18 1HB ASN 18 -4.589 6.339 -6.366 130 HB3 ASN 18 2HB ASN 18 -4.967 7.144 -4.842 131 HD21 ASN 18 2HD2 ASN 18 -5.732 4.509 -6.232 132 HD22 ASN 18 1HD2 ASN 18 -7.466 4.449 -6.013 133 H TYR 19 H TYR 19 -3.456 8.426 -8.266 134 HA TYR 19 HA TYR 19 -1.371 9.358 -6.469 135 HB2 TYR 19 1HB TYR 19 -1.670 9.204 -9.461 136 HB3 TYR 19 2HB TYR 19 -0.219 9.836 -8.719 137 HD1 TYR 19 HD2 TYR 19 -2.299 6.753 -9.041 138 HD2 TYR 19 HD1 TYR 19 1.486 8.417 -7.890 139 HE1 TYR 19 HE2 TYR 19 -1.331 4.463 -8.923 140 HE2 TYR 19 HE1 TYR 19 2.445 6.131 -7.774 141 HH TYR 19 HH TYR 19 0.519 3.211 -8.513 142 H CYS 20 H CYS 20 -3.897 10.878 -8.326 143 HA CYS 20 HA CYS 20 -2.532 13.491 -8.402 144 HB2 CYS 20 1HB CYS 20 -5.351 12.705 -9.226 145 HB3 CYS 20 2HB CYS 20 -4.502 14.204 -9.654 146 H ASN 21 H ASN 21 -2.932 15.086 -6.956 147 HA ASN 21 HA ASN 21 -3.480 16.142 -5.038 148 HB2 ASN 21 1HB ASN 21 -5.670 16.470 -6.040 149 HB3 ASN 21 2HB ASN 21 -6.174 14.872 -5.514 150 HD21 ASN 21 2HD2 ASN 21 -7.144 14.683 -3.559 151 HD22 ASN 21 1HD2 ASN 21 -7.122 15.927 -2.336 152 HXT ASN 21 H02 ASN 21 -4.712 13.029 -4.826 153 H1 PHE 1 3H0 PHE 1 -8.918 3.477 -22.367 154 H2 PHE 1 2H0 PHE 1 -8.262 2.588 -23.592 155 H3 PHE 1 1H0 PHE 1 -9.214 1.857 -22.464 156 HA PHE 1 HA PHE 1 -6.575 3.071 -21.971 157 HB2 PHE 1 1HB PHE 1 -8.402 3.178 -20.141 158 HB3 PHE 1 2HB PHE 1 -8.239 1.421 -20.040 159 HD1 PHE 1 HD1 PHE 1 -6.443 4.665 -19.602 160 HD2 PHE 1 HD2 PHE 1 -6.370 0.416 -18.879 161 HE1 PHE 1 HE1 PHE 1 -4.497 4.961 -18.078 162 HE2 PHE 1 HE2 PHE 1 -4.422 0.712 -17.352 163 HZ PHE 1 HZ PHE 1 -3.474 2.982 -16.963 164 H VAL 2 H VAL 2 -4.878 1.462 -21.515 165 HA VAL 2 HA VAL 2 -5.543 -1.257 -22.598 166 HB VAL 2 HB VAL 2 -2.966 0.360 -23.006 167 HG11 VAL 2 1HG1 VAL 2 -2.301 -1.528 -24.500 168 HG12 VAL 2 2HG1 VAL 2 -2.489 -2.048 -22.817 169 HG13 VAL 2 3HG1 VAL 2 -3.760 -2.418 -24.010 170 HG21 VAL 2 3HG2 VAL 2 -5.166 -0.411 -24.981 171 HG22 VAL 2 1HG2 VAL 2 -4.729 1.233 -24.452 172 HG23 VAL 2 2HG2 VAL 2 -3.595 0.292 -25.433 173 H ASN 3 H ASN 3 -4.840 -2.920 -21.254 174 HA ASN 3 HA ASN 3 -3.856 -2.102 -18.642 175 HB2 ASN 3 1HB ASN 3 -3.835 -4.429 -18.040 176 HB3 ASN 3 2HB ASN 3 -5.387 -4.049 -18.819 177 HD21 ASN 3 2HD2 ASN 3 -5.682 -4.821 -21.043 178 HD22 ASN 3 1HD2 ASN 3 -4.775 -6.210 -21.580 179 H GLN 4 H GLN 4 -1.886 -2.021 -17.909 180 HA GLN 4 HA GLN 4 0.138 -3.856 -18.825 181 HB2 GLN 4 1HB GLN 4 1.817 -2.078 -19.373 182 HB3 GLN 4 2HB GLN 4 0.539 -2.250 -20.578 183 HG2 GLN 4 1HG GLN 4 -0.611 -0.275 -19.629 184 HG3 GLN 4 2HG GLN 4 0.710 -0.081 -18.476 185 HE21 GLN 4 2HE2 GLN 4 -0.462 0.662 -21.554 186 HE22 GLN 4 1HE2 GLN 4 0.983 1.397 -22.206 187 H HIS 5 H HIS 5 1.688 -4.038 -17.229 188 HA HIS 5 HA HIS 5 1.213 -2.811 -14.618 189 HB2 HIS 5 1HB HIS 5 3.706 -4.194 -15.716 190 HB3 HIS 5 2HB HIS 5 3.368 -3.835 -14.021 191 HD1 HIS 5 HD1 HIS 5 0.619 -4.873 -13.543 192 HD2 HIS 5 HD2 HIS 5 3.315 -6.891 -15.940 193 HE1 HIS 5 HE1 HIS 5 -0.161 -7.312 -13.672 194 HE2 HIS 5 HE2 HIS 5 1.517 -8.513 -15.116 195 H LEU 6 H LEU 6 2.425 -1.023 -13.706 196 HA LEU 6 HA LEU 6 4.004 0.525 -15.737 197 HB2 LEU 6 1HB LEU 6 1.772 1.507 -13.942 198 HB3 LEU 6 2HB LEU 6 2.888 2.566 -14.782 199 HG LEU 6 HG LEU 6 0.942 0.698 -16.161 200 HD11 LEU 6 1HD1 LEU 6 0.863 3.705 -15.737 201 HD12 LEU 6 2HD1 LEU 6 -0.163 2.529 -14.908 202 HD13 LEU 6 3HD1 LEU 6 -0.318 2.740 -16.656 203 HD21 LEU 6 3HD2 LEU 6 2.720 2.929 -17.205 204 HD22 LEU 6 1HD2 LEU 6 1.483 2.091 -18.148 205 HD23 LEU 6 2HD2 LEU 6 2.890 1.189 -17.560 206 H CYS 7 H CYS 7 5.911 1.167 -15.038 207 HA CYS 7 HA CYS 7 6.223 1.911 -12.165 208 HB2 CYS 7 1HB CYS 7 8.199 0.283 -13.814 209 HB3 CYS 7 2HB CYS 7 8.461 0.865 -12.170 210 H GLY 8 H GLY 8 8.037 3.417 -11.852 211 HA2 GLY 8 1HA GLY 8 9.366 5.200 -12.452 212 HA3 GLY 8 2HA GLY 8 9.818 4.198 -13.833 213 H SER 9 H SER 9 9.919 5.548 -15.500 214 HA SER 9 HA SER 9 8.340 7.872 -15.833 215 HB2 SER 9 1HB SER 9 9.133 7.689 -18.236 216 HB3 SER 9 2HB SER 9 10.415 7.641 -17.002 217 HG SER 9 HG SER 9 10.682 5.997 -18.565 218 H HIS 10 H HIS 10 7.683 4.505 -16.820 219 HA HIS 10 HA HIS 10 5.583 5.153 -18.676 220 HB2 HIS 10 1HB HIS 10 6.400 2.721 -17.123 221 HB3 HIS 10 2HB HIS 10 4.772 2.772 -17.783 222 HD1 HIS 10 HD1 HIS 10 4.517 1.838 -20.090 223 HD2 HIS 10 HD2 HIS 10 8.382 3.303 -19.345 224 HE1 HIS 10 HE1 HIS 10 5.901 1.384 -22.178 225 HE2 HIS 10 HE2 HIS 10 8.225 2.278 -21.721 226 H LEU 11 H LEU 11 5.660 4.728 -15.153 227 HA LEU 11 HA LEU 11 2.803 4.746 -14.812 228 HB2 LEU 11 1HB LEU 11 4.500 3.911 -13.175 229 HB3 LEU 11 2HB LEU 11 5.014 5.563 -12.897 230 HG LEU 11 HG LEU 11 2.851 6.098 -11.879 231 HD11 LEU 11 1HD1 LEU 11 2.215 3.146 -12.250 232 HD12 LEU 11 2HD1 LEU 11 1.421 4.492 -13.100 233 HD13 LEU 11 3HD1 LEU 11 1.246 4.333 -11.345 234 HD21 LEU 11 3HD2 LEU 11 4.113 3.555 -10.763 235 HD22 LEU 11 1HD2 LEU 11 3.210 4.788 -9.852 236 HD23 LEU 11 2HD2 LEU 11 4.778 5.197 -10.573 237 H VAL 12 H VAL 12 5.333 7.256 -14.739 238 HA VAL 12 HA VAL 12 3.614 9.444 -14.079 239 HB VAL 12 HB VAL 12 6.259 9.369 -15.618 240 HG11 VAL 12 1HG1 VAL 12 4.866 11.721 -14.289 241 HG12 VAL 12 2HG1 VAL 12 6.496 11.744 -14.991 242 HG13 VAL 12 3HG1 VAL 12 5.087 11.487 -16.035 243 HG21 VAL 12 3HG2 VAL 12 7.246 10.021 -13.421 244 HG22 VAL 12 1HG2 VAL 12 5.645 9.863 -12.669 245 HG23 VAL 12 2HG2 VAL 12 6.457 8.437 -13.348 246 H GLU 13 H GLU 13 4.630 8.057 -17.221 247 HA GLU 13 HA GLU 13 3.447 10.069 -18.871 248 HB2 GLU 13 1HB GLU 13 4.117 7.147 -19.273 249 HB3 GLU 13 2HB GLU 13 3.414 8.123 -20.568 250 HG2 GLU 13 1HG GLU 13 5.301 9.579 -20.645 251 HG3 GLU 13 2HG GLU 13 5.955 8.941 -19.136 252 HE2 GLU 13 HE2 GLU 13 7.669 7.539 -21.977 253 H ALA 14 H ALA 14 2.106 7.197 -17.291 254 HA ALA 14 HA ALA 14 -0.382 7.298 -18.772 255 HB1 ALA 14 3HB ALA 14 0.543 5.259 -17.702 256 HB2 ALA 14 1HB ALA 14 0.246 5.996 -16.109 257 HB3 ALA 14 2HB ALA 14 -1.120 5.627 -17.191 258 H LEU 15 H LEU 15 0.824 8.675 -15.724 259 HA LEU 15 HA LEU 15 -1.722 9.473 -14.700 260 HB2 LEU 15 1HB LEU 15 1.100 10.472 -14.262 261 HB3 LEU 15 2HB LEU 15 -0.284 11.190 -13.448 262 HG LEU 15 HG LEU 15 0.414 8.256 -13.217 263 HD11 LEU 15 1HD1 LEU 15 2.231 9.675 -12.279 264 HD12 LEU 15 2HD1 LEU 15 1.371 8.724 -11.051 265 HD13 LEU 15 3HD1 LEU 15 1.030 10.459 -11.229 266 HD21 LEU 15 3HD2 LEU 15 -1.093 8.323 -11.338 267 HD22 LEU 15 1HD2 LEU 15 -1.925 8.875 -12.787 268 HD23 LEU 15 2HD2 LEU 15 -1.374 10.062 -11.592 269 H TYR 16 H TYR 16 0.497 11.009 -16.994 270 HA TYR 16 HA TYR 16 -0.724 13.581 -17.092 271 HB2 TYR 16 1HB TYR 16 0.730 11.879 -19.129 272 HB3 TYR 16 2HB TYR 16 -0.054 13.378 -19.620 273 HD1 TYR 16 HD2 TYR 16 0.623 15.572 -18.497 274 HD2 TYR 16 HD1 TYR 16 2.906 11.948 -18.108 275 HE1 TYR 16 HE2 TYR 16 2.617 16.897 -17.792 276 HE2 TYR 16 HE1 TYR 16 4.903 13.286 -17.431 277 HH TYR 16 HH TYR 16 4.809 16.835 -17.140 278 H LEU 17 H LEU 17 -1.610 10.499 -18.676 279 HA LEU 17 HA LEU 17 -3.667 11.714 -20.290 280 HB2 LEU 17 1HB LEU 17 -3.361 8.850 -19.355 281 HB3 LEU 17 2HB LEU 17 -4.440 9.425 -20.611 282 HG LEU 17 HG LEU 17 -1.409 9.564 -20.758 283 HD11 LEU 17 1HD1 LEU 17 -2.214 7.234 -20.631 284 HD12 LEU 17 2HD1 LEU 17 -1.574 7.612 -22.244 285 HD13 LEU 17 3HD1 LEU 17 -3.334 7.546 -21.982 286 HD21 LEU 17 3HD2 LEU 17 -2.499 11.206 -22.216 287 HD22 LEU 17 1HD2 LEU 17 -3.563 9.944 -22.882 288 HD23 LEU 17 2HD2 LEU 17 -1.810 9.893 -23.187 289 H VAL 18 H VAL 18 -3.710 9.944 -17.189 290 HA VAL 18 HA VAL 18 -6.584 9.758 -17.158 291 HB VAL 18 HB VAL 18 -4.525 9.372 -14.935 292 HG11 VAL 18 1HG1 VAL 18 -6.713 9.768 -13.923 293 HG12 VAL 18 2HG1 VAL 18 -7.476 8.604 -15.034 294 HG13 VAL 18 3HG1 VAL 18 -6.314 8.045 -13.805 295 HG21 VAL 18 3HG2 VAL 18 -5.918 7.465 -16.852 296 HG22 VAL 18 1HG2 VAL 18 -4.181 7.820 -16.752 297 HG23 VAL 18 2HG2 VAL 18 -4.980 6.949 -15.439 298 H CYS 19 H CYS 19 -4.264 11.934 -15.514 299 HA CYS 19 HA CYS 19 -6.608 13.363 -14.400 300 HB2 CYS 19 1HB CYS 19 -3.661 13.518 -13.786 301 HB3 CYS 19 2HB CYS 19 -4.878 14.618 -13.091 302 H GLY 20 H GLY 20 -4.573 13.538 -17.162 303 HA2 GLY 20 1HA GLY 20 -4.587 15.100 -18.842 304 HA3 GLY 20 2HA GLY 20 -6.105 15.684 -18.156 305 H GLU 21 H GLU 21 -5.734 17.791 -18.617 306 HA GLU 21 HA GLU 21 -3.337 19.207 -17.994 307 HB2 GLU 21 1HB GLU 21 -6.158 20.274 -18.353 308 HB3 GLU 21 2HB GLU 21 -4.668 21.218 -18.445 309 HG2 GLU 21 1HG GLU 21 -5.545 19.017 -20.351 310 HG3 GLU 21 2HG GLU 21 -5.495 20.752 -20.685 311 HE2 GLU 21 HE2 GLU 21 -1.991 20.733 -20.749 312 H ARG 22 H ARG 22 -5.613 17.989 -15.809 313 HA ARG 22 HA ARG 22 -5.665 20.227 -13.938 314 HB2 ARG 22 1HB ARG 22 -6.209 17.263 -13.535 315 HB3 ARG 22 2HB ARG 22 -6.539 18.524 -12.349 316 HG2 ARG 22 1HG ARG 22 -8.197 19.546 -13.783 317 HG3 ARG 22 2HG ARG 22 -7.804 18.445 -15.115 318 HD2 ARG 22 1HD ARG 22 -8.846 17.506 -12.424 319 HD3 ARG 22 2HD ARG 22 -9.887 17.869 -13.817 320 HE ARG 22 HE ARG 22 -7.833 16.057 -14.633 321 HH11 ARG 22 1HH1 ARG 22 -10.767 16.061 -12.660 322 HH12 ARG 22 2HH1 ARG 22 -11.083 14.374 -12.961 323 HH21 ARG 22 1HH2 ARG 22 -8.327 13.907 -14.992 324 HH22 ARG 22 2HH2 ARG 22 -9.723 13.183 -14.248 325 H GLY 23 H GLY 23 -3.404 17.742 -14.771 326 HA2 GLY 23 1HA GLY 23 -1.196 17.626 -14.048 327 HA3 GLY 23 2HA GLY 23 -1.549 18.798 -12.770 328 H PHE 24 H PHE 24 0.048 16.880 -12.034 329 HA PHE 24 HA PHE 24 -1.386 15.367 -10.016 330 HB2 PHE 24 1HB PHE 24 -0.719 13.157 -10.774 331 HB3 PHE 24 2HB PHE 24 -1.717 13.909 -12.022 332 HD1 PHE 24 HD1 PHE 24 -0.742 14.679 -14.137 333 HD2 PHE 24 HD2 PHE 24 1.616 12.691 -11.160 334 HE1 PHE 24 HE1 PHE 24 1.053 14.307 -15.807 335 HE2 PHE 24 HE2 PHE 24 3.405 12.287 -12.817 336 HZ PHE 24 HZ PHE 24 3.131 13.099 -15.162 337 H PHE 25 H PHE 25 0.487 13.916 -8.935 338 HA PHE 25 HA PHE 25 3.152 15.106 -9.486 339 HB2 PHE 25 1HB PHE 25 3.639 15.204 -7.071 340 HB3 PHE 25 2HB PHE 25 2.348 16.317 -7.529 341 HD1 PHE 25 HD1 PHE 25 3.048 13.029 -5.887 342 HD2 PHE 25 HD2 PHE 25 0.178 16.162 -6.570 343 HE1 PHE 25 HE1 PHE 25 1.568 12.048 -4.143 344 HE2 PHE 25 HE2 PHE 25 -1.286 15.204 -4.809 345 HZ PHE 25 HZ PHE 25 -0.609 13.138 -3.600 346 H TYR 26 H TYR 26 4.863 13.710 -8.427 347 HA TYR 26 HA TYR 26 4.037 10.889 -8.037 348 HB2 TYR 26 1HB TYR 26 4.593 11.004 -10.428 349 HB3 TYR 26 2HB TYR 26 6.105 11.852 -10.062 350 HD1 TYR 26 HD1 TYR 26 4.302 8.632 -9.281 351 HD2 TYR 26 HD2 TYR 26 8.094 10.610 -9.777 352 HE1 TYR 26 HE1 TYR 26 5.483 6.460 -8.981 353 HE2 TYR 26 HE2 TYR 26 9.263 8.424 -9.503 354 HH TYR 26 HH TYR 26 9.040 6.193 -9.083 355 H THR 27 H THR 27 5.563 9.813 -6.689 356 HA THR 27 HA THR 27 7.380 11.694 -5.261 357 HB THR 27 HB THR 27 7.181 10.019 -3.395 358 HG1 THR 27 HG1 THR 27 6.559 8.248 -4.723 359 HG21 THR 27 1HG2 THR 27 5.709 12.051 -3.565 360 HG22 THR 27 2HG2 THR 27 4.941 10.681 -2.732 361 HG23 THR 27 3HG2 THR 27 4.502 11.052 -4.412 362 HA PRO 28 HA PRO 28 10.303 8.739 -7.137 363 HB2 PRO 28 1HB PRO 28 12.414 10.412 -7.504 364 HB3 PRO 28 2HB PRO 28 11.015 10.407 -8.626 365 HG2 PRO 28 1HG PRO 28 11.581 12.242 -6.314 366 HG3 PRO 28 2HG PRO 28 11.120 12.656 -7.992 367 HD2 PRO 28 1HD PRO 28 9.321 12.547 -5.948 368 HD3 PRO 28 2HD PRO 28 8.886 12.098 -7.632 369 H LYS 29 H LYS 29 12.284 7.817 -6.223 370 HA LYS 29 HA LYS 29 12.522 8.308 -3.321 371 HB2 LYS 29 1HB LYS 29 13.813 6.295 -5.201 372 HB3 LYS 29 2HB LYS 29 14.190 6.436 -3.479 373 HG2 LYS 29 1HG LYS 29 11.883 5.877 -2.888 374 HG3 LYS 29 2HG LYS 29 11.443 5.807 -4.602 375 HD2 LYS 29 1HD LYS 29 11.742 3.552 -3.845 376 HD3 LYS 29 2HD LYS 29 13.108 3.930 -4.901 377 HE2 LYS 29 1HE LYS 29 13.340 4.263 -1.889 378 HE3 LYS 29 2HE LYS 29 13.504 2.663 -2.628 379 HZ1 LYS 29 3HZ LYS 29 15.357 3.479 -3.930 380 HZ2 LYS 29 1HZ LYS 29 15.651 3.764 -2.332 381 HZ3 LYS 29 2HZ LYS 29 15.193 5.001 -3.322 382 H THR 30 H THR 30 13.394 10.411 -3.395 383 HA THR 30 HA THR 30 15.818 11.037 -4.825 384 HB THR 30 HB THR 30 15.759 13.083 -3.306 385 HG1 THR 30 HG1 THR 30 14.789 11.949 -1.512 386 HG21 THR 30 1HG2 THR 30 13.032 12.322 -4.543 387 HG22 THR 30 2HG2 THR 30 14.400 12.978 -5.467 388 HG23 THR 30 3HG2 THR 30 13.620 13.958 -4.216 389 HXT THR 30 H02 THR 30 18.291 10.454 -2.660 Start of MODEL 5 1 H1 GLY 1 3H0 GLY 1 1.859 -0.238 -0.418 2 H2 GLY 1 2H0 GLY 1 3.357 -0.072 -1.088 3 H3 GLY 1 1H0 GLY 1 3.070 0.482 0.439 4 HA2 GLY 1 1HA GLY 1 1.564 2.145 -0.363 5 HA3 GLY 1 2HA GLY 1 3.167 2.304 -1.109 6 H ILE 2 H ILE 2 1.064 3.484 -2.399 7 HA ILE 2 HA ILE 2 -0.360 1.778 -4.170 8 HB ILE 2 HB ILE 2 -0.979 4.101 -3.512 9 HG12 ILE 2 1HG1 ILE 2 -0.831 3.688 -6.511 10 HG13 ILE 2 2HG1 ILE 2 -1.918 2.799 -5.446 11 HG21 ILE 2 1HG2 ILE 2 1.137 5.006 -5.534 12 HG22 ILE 2 2HG2 ILE 2 0.014 6.048 -4.642 13 HG23 ILE 2 3HG2 ILE 2 1.284 5.169 -3.774 14 HD11 ILE 2 3HD1 ILE 2 -2.963 4.937 -4.748 15 HD12 ILE 2 1HD1 ILE 2 -1.919 5.797 -5.908 16 HD13 ILE 2 2HD1 ILE 2 -3.109 4.616 -6.490 17 H VAL 3 H VAL 3 2.842 3.282 -4.516 18 HA VAL 3 HA VAL 3 3.068 2.798 -7.306 19 HB VAL 3 HB VAL 3 4.537 4.363 -6.166 20 HG11 VAL 3 1HG1 VAL 3 4.780 3.231 -4.001 21 HG12 VAL 3 2HG1 VAL 3 5.790 1.975 -4.761 22 HG13 VAL 3 3HG1 VAL 3 6.356 3.657 -4.688 23 HG21 VAL 3 3HG2 VAL 3 6.654 3.765 -7.202 24 HG22 VAL 3 1HG2 VAL 3 6.164 2.056 -7.310 25 HG23 VAL 3 2HG2 VAL 3 5.310 3.286 -8.266 26 H GLU 4 H GLU 4 3.594 0.640 -4.513 27 HA GLU 4 HA GLU 4 4.865 -1.422 -6.081 28 HB2 GLU 4 1HB GLU 4 3.324 -1.461 -3.470 29 HB3 GLU 4 2HB GLU 4 3.883 -2.941 -4.247 30 HG2 GLU 4 1HG GLU 4 5.544 -2.438 -2.695 31 HG3 GLU 4 2HG GLU 4 6.198 -1.944 -4.263 32 HE2 GLU 4 HE2 GLU 4 7.503 -0.664 -3.340 33 H GLN 5 H GLN 5 1.458 -0.767 -5.169 34 HA GLN 5 HA GLN 5 0.354 -3.111 -6.304 35 HB2 GLN 5 1HB GLN 5 -0.803 -1.429 -4.824 36 HB3 GLN 5 2HB GLN 5 -0.919 -0.344 -6.207 37 HG2 GLN 5 1HG GLN 5 -2.071 -3.148 -6.311 38 HG3 GLN 5 2HG GLN 5 -2.970 -1.816 -5.575 39 HE21 GLN 5 2HE2 GLN 5 -3.081 -3.549 -8.184 40 HE22 GLN 5 1HE2 GLN 5 -3.477 -2.364 -9.405 41 H CYS 6 H CYS 6 1.086 0.065 -7.754 42 HA CYS 6 HA CYS 6 -0.106 -0.674 -10.282 43 HB2 CYS 6 1HB CYS 6 0.077 1.631 -9.317 44 HB3 CYS 6 2HB CYS 6 1.810 1.590 -9.652 45 H CYS 7 H CYS 7 3.165 -0.877 -8.953 46 HA CYS 7 HA CYS 7 4.361 -1.302 -11.563 47 HB2 CYS 7 1HB CYS 7 5.278 -1.131 -8.783 48 HB3 CYS 7 2HB CYS 7 6.114 -2.380 -9.710 49 H THR 8 H THR 8 3.408 -3.436 -8.807 50 HA THR 8 HA THR 8 4.368 -5.760 -10.329 51 HB THR 8 HB THR 8 4.710 -5.468 -7.816 52 HG1 THR 8 HG1 THR 8 3.546 -7.806 -8.945 53 HG21 THR 8 1HG2 THR 8 1.968 -6.700 -7.542 54 HG22 THR 8 2HG2 THR 8 2.177 -4.940 -7.443 55 HG23 THR 8 3HG2 THR 8 3.018 -5.995 -6.291 56 H SER 9 H SER 9 1.299 -4.175 -9.804 57 HA SER 9 HA SER 9 0.036 -6.418 -11.292 58 HB2 SER 9 1HB SER 9 -1.138 -5.028 -8.825 59 HB3 SER 9 2HB SER 9 -1.975 -6.235 -9.823 60 HG SER 9 HG SER 9 -1.040 -7.216 -8.006 61 H ILE 10 H ILE 10 -2.390 -5.586 -11.837 62 HA ILE 10 HA ILE 10 -1.731 -3.422 -13.666 63 HB ILE 10 HB ILE 10 -4.382 -4.860 -13.196 64 HG12 ILE 10 1HG1 ILE 10 -2.576 -6.402 -13.889 65 HG13 ILE 10 2HG1 ILE 10 -3.870 -6.265 -15.072 66 HG21 ILE 10 1HG2 ILE 10 -4.804 -2.737 -14.305 67 HG22 ILE 10 2HG2 ILE 10 -3.483 -3.017 -15.462 68 HG23 ILE 10 3HG2 ILE 10 -4.953 -4.026 -15.504 69 HD11 ILE 10 3HD1 ILE 10 -2.506 -4.913 -16.529 70 HD12 ILE 10 1HD1 ILE 10 -1.232 -4.784 -15.307 71 HD13 ILE 10 2HD1 ILE 10 -1.582 -6.350 -16.066 72 H CYS 11 H CYS 11 -2.028 -1.322 -13.365 73 HA CYS 11 HA CYS 11 -3.974 -0.451 -11.275 74 HB2 CYS 11 1HB CYS 11 -2.677 1.811 -12.038 75 HB3 CYS 11 2HB CYS 11 -2.184 0.790 -10.677 76 H SER 12 H SER 12 -5.899 -0.243 -12.199 77 HA SER 12 HA SER 12 -6.263 0.444 -15.008 78 HB2 SER 12 1HB SER 12 -8.662 0.554 -14.337 79 HB3 SER 12 2HB SER 12 -7.894 -0.948 -13.778 80 HG SER 12 HG SER 12 -8.950 -0.160 -12.025 81 H LEU 13 H LEU 13 -7.768 2.453 -15.429 82 HA LEU 13 HA LEU 13 -6.347 4.780 -14.728 83 HB2 LEU 13 1HB LEU 13 -8.165 6.023 -15.698 84 HB3 LEU 13 2HB LEU 13 -7.795 4.611 -16.674 85 HG LEU 13 HG LEU 13 -9.853 3.672 -15.082 86 HD11 LEU 13 1HD1 LEU 13 -10.289 5.903 -14.167 87 HD12 LEU 13 2HD1 LEU 13 -11.618 5.397 -15.223 88 HD13 LEU 13 3HD1 LEU 13 -10.423 6.573 -15.811 89 HD21 LEU 13 3HD2 LEU 13 -9.564 3.325 -17.494 90 HD22 LEU 13 1HD2 LEU 13 -10.029 5.019 -17.804 91 HD23 LEU 13 2HD2 LEU 13 -11.210 3.875 -17.119 92 H TYR 14 H TYR 14 -9.033 3.204 -13.022 93 HA TYR 14 HA TYR 14 -9.655 5.404 -11.312 94 HB2 TYR 14 1HB TYR 14 -9.878 2.466 -10.620 95 HB3 TYR 14 2HB TYR 14 -10.863 3.802 -10.008 96 HD1 TYR 14 HD1 TYR 14 -12.312 5.090 -11.794 97 HD2 TYR 14 HD2 TYR 14 -10.586 1.206 -12.467 98 HE1 TYR 14 HE1 TYR 14 -13.933 4.685 -13.648 99 HE2 TYR 14 HE2 TYR 14 -12.194 0.821 -14.343 100 HH TYR 14 HH TYR 14 -14.661 3.228 -15.256 101 H GLN 15 H GLN 15 -7.311 2.726 -11.060 102 HA GLN 15 HA GLN 15 -6.483 3.307 -8.361 103 HB2 GLN 15 1HB GLN 15 -4.969 2.005 -10.658 104 HB3 GLN 15 2HB GLN 15 -4.462 1.988 -8.971 105 HG2 GLN 15 1HG GLN 15 -7.020 0.744 -10.051 106 HG3 GLN 15 2HG GLN 15 -5.528 -0.131 -9.671 107 HE21 GLN 15 2HE2 GLN 15 -4.686 0.287 -7.369 108 HE22 GLN 15 1HE2 GLN 15 -5.914 0.263 -6.117 109 H LEU 16 H LEU 16 -5.476 4.330 -11.598 110 HA LEU 16 HA LEU 16 -3.203 5.844 -10.768 111 HB2 LEU 16 1HB LEU 16 -4.919 5.930 -13.247 112 HB3 LEU 16 2HB LEU 16 -3.471 6.908 -13.045 113 HG LEU 16 HG LEU 16 -3.488 3.872 -12.856 114 HD11 LEU 16 1HD1 LEU 16 -4.154 4.551 -15.100 115 HD12 LEU 16 2HD1 LEU 16 -2.516 3.877 -15.110 116 HD13 LEU 16 3HD1 LEU 16 -2.752 5.641 -15.209 117 HD21 LEU 16 3HD2 LEU 16 -1.204 5.865 -13.183 118 HD22 LEU 16 1HD2 LEU 16 -1.046 4.095 -13.199 119 HD23 LEU 16 2HD2 LEU 16 -1.569 4.922 -11.722 120 H GLU 17 H GLU 17 -6.648 6.765 -11.084 121 HA GLU 17 HA GLU 17 -6.348 9.572 -10.904 122 HB2 GLU 17 1HB GLU 17 -8.464 7.686 -9.834 123 HB3 GLU 17 2HB GLU 17 -8.590 9.435 -9.658 124 HG2 GLU 17 1HG GLU 17 -8.613 9.736 -12.053 125 HG3 GLU 17 2HG GLU 17 -8.329 8.020 -12.310 126 HE2 GLU 17 HE2 GLU 17 -10.381 9.951 -10.472 127 H ASN 18 H ASN 18 -5.920 7.163 -8.375 128 HA ASN 18 HA ASN 18 -6.236 8.892 -6.115 129 HB2 ASN 18 1HB ASN 18 -4.618 6.365 -6.490 130 HB3 ASN 18 2HB ASN 18 -4.797 7.191 -4.937 131 HD21 ASN 18 2HD2 ASN 18 -6.163 5.003 -7.144 132 HD22 ASN 18 1HD2 ASN 18 -7.681 4.762 -6.306 133 H TYR 19 H TYR 19 -3.601 8.531 -8.390 134 HA TYR 19 HA TYR 19 -1.525 9.693 -6.690 135 HB2 TYR 19 1HB TYR 19 -1.859 9.221 -9.643 136 HB3 TYR 19 2HB TYR 19 -0.438 10.011 -9.008 137 HD1 TYR 19 HD2 TYR 19 -2.287 6.782 -9.105 138 HD2 TYR 19 HD1 TYR 19 1.322 8.793 -7.932 139 HE1 TYR 19 HE2 TYR 19 -1.166 4.582 -8.793 140 HE2 TYR 19 HE1 TYR 19 2.437 6.581 -7.621 141 HH TYR 19 HH TYR 19 0.731 3.501 -8.222 142 H CYS 20 H CYS 20 -4.333 11.017 -7.991 143 HA CYS 20 HA CYS 20 -3.014 13.641 -8.544 144 HB2 CYS 20 1HB CYS 20 -5.702 12.655 -9.530 145 HB3 CYS 20 2HB CYS 20 -4.817 14.096 -10.071 146 H ASN 21 H ASN 21 -3.939 15.510 -7.679 147 HA ASN 21 HA ASN 21 -5.166 15.180 -5.098 148 HB2 ASN 21 1HB ASN 21 -3.664 17.139 -5.824 149 HB3 ASN 21 2HB ASN 21 -5.069 17.784 -6.687 150 HD21 ASN 21 2HD2 ASN 21 -6.036 19.342 -5.536 151 HD22 ASN 21 1HD2 ASN 21 -6.256 19.306 -3.807 152 HXT ASN 21 H02 ASN 21 -8.153 15.835 -7.433 153 H1 PHE 1 3H0 PHE 1 -9.678 2.389 -21.974 154 H2 PHE 1 2H0 PHE 1 -8.972 1.493 -23.168 155 H3 PHE 1 1H0 PHE 1 -9.658 0.742 -21.872 156 HA PHE 1 HA PHE 1 -7.275 2.475 -21.799 157 HB2 PHE 1 1HB PHE 1 -8.832 2.556 -19.795 158 HB3 PHE 1 2HB PHE 1 -8.528 0.830 -19.567 159 HD1 PHE 1 HD2 PHE 1 -6.995 4.218 -19.501 160 HD2 PHE 1 HD1 PHE 1 -6.458 0.042 -18.573 161 HE1 PHE 1 HE2 PHE 1 -4.948 4.775 -18.199 162 HE2 PHE 1 HE1 PHE 1 -4.407 0.597 -17.268 163 HZ PHE 1 HZ PHE 1 -3.642 2.965 -17.098 164 H VAL 2 H VAL 2 -5.281 1.361 -21.860 165 HA VAL 2 HA VAL 2 -5.530 -1.536 -22.518 166 HB VAL 2 HB VAL 2 -3.150 0.361 -22.856 167 HG11 VAL 2 1HG1 VAL 2 -2.199 -1.475 -24.246 168 HG12 VAL 2 2HG1 VAL 2 -2.446 -1.995 -22.567 169 HG13 VAL 2 3HG1 VAL 2 -3.589 -2.505 -23.833 170 HG21 VAL 2 3HG2 VAL 2 -5.152 -0.703 -24.902 171 HG22 VAL 2 1HG2 VAL 2 -4.948 0.993 -24.396 172 HG23 VAL 2 2HG2 VAL 2 -3.660 0.179 -25.300 173 H ASN 3 H ASN 3 -5.324 -2.838 -20.787 174 HA ASN 3 HA ASN 3 -4.179 -1.914 -18.312 175 HB2 ASN 3 1HB ASN 3 -4.829 -4.701 -19.320 176 HB3 ASN 3 2HB ASN 3 -4.177 -4.359 -17.711 177 HD21 ASN 3 2HD2 ASN 3 -6.785 -5.519 -18.538 178 HD22 ASN 3 1HD2 ASN 3 -7.995 -4.489 -17.814 179 H GLN 4 H GLN 4 -2.189 -1.936 -17.594 180 HA GLN 4 HA GLN 4 -0.303 -3.990 -18.379 181 HB2 GLN 4 1HB GLN 4 1.418 -2.411 -19.192 182 HB3 GLN 4 2HB GLN 4 0.013 -2.410 -20.260 183 HG2 GLN 4 1HG GLN 4 -0.785 -0.333 -18.977 184 HG3 GLN 4 2HG GLN 4 0.836 -0.283 -18.278 185 HE21 GLN 4 2HE2 GLN 4 -1.071 -0.022 -21.204 186 HE22 GLN 4 1HE2 GLN 4 0.145 0.804 -22.151 187 H HIS 5 H HIS 5 1.440 -3.871 -16.883 188 HA HIS 5 HA HIS 5 0.939 -2.421 -14.360 189 HB2 HIS 5 1HB HIS 5 3.503 -3.787 -15.282 190 HB3 HIS 5 2HB HIS 5 3.032 -3.372 -13.633 191 HD1 HIS 5 HD1 HIS 5 0.355 -4.579 -13.235 192 HD2 HIS 5 HD2 HIS 5 3.296 -6.495 -15.430 193 HE1 HIS 5 HE1 HIS 5 -0.227 -7.079 -13.263 194 HE2 HIS 5 HE2 HIS 5 1.591 -8.214 -14.587 195 H LEU 6 H LEU 6 2.255 -0.565 -13.676 196 HA LEU 6 HA LEU 6 3.803 0.692 -15.929 197 HB2 LEU 6 1HB LEU 6 1.865 1.964 -13.995 198 HB3 LEU 6 2HB LEU 6 3.065 2.861 -14.858 199 HG LEU 6 HG LEU 6 1.088 3.359 -15.887 200 HD11 LEU 6 1HD1 LEU 6 2.403 1.238 -17.605 201 HD12 LEU 6 2HD1 LEU 6 2.817 2.963 -17.507 202 HD13 LEU 6 3HD1 LEU 6 1.261 2.476 -18.178 203 HD21 LEU 6 3HD2 LEU 6 0.420 0.433 -16.057 204 HD22 LEU 6 1HD2 LEU 6 -0.523 1.748 -16.783 205 HD23 LEU 6 2HD2 LEU 6 -0.350 1.650 -15.024 206 H CYS 7 H CYS 7 5.824 1.286 -15.415 207 HA CYS 7 HA CYS 7 6.434 1.999 -12.587 208 HB2 CYS 7 1HB CYS 7 8.026 0.061 -14.314 209 HB3 CYS 7 2HB CYS 7 8.601 0.755 -12.799 210 H GLY 8 H GLY 8 8.415 3.304 -12.430 211 HA2 GLY 8 1HA GLY 8 9.878 4.927 -13.166 212 HA3 GLY 8 2HA GLY 8 10.029 3.958 -14.638 213 H SER 9 H SER 9 10.114 5.556 -16.144 214 HA SER 9 HA SER 9 8.552 7.898 -16.183 215 HB2 SER 9 1HB SER 9 9.149 6.805 -18.831 216 HB3 SER 9 2HB SER 9 9.785 8.265 -18.032 217 HG SER 9 HG SER 9 11.492 6.864 -18.270 218 H HIS 10 H HIS 10 7.754 4.611 -17.254 219 HA HIS 10 HA HIS 10 5.531 5.316 -18.920 220 HB2 HIS 10 1HB HIS 10 6.645 2.896 -17.696 221 HB3 HIS 10 2HB HIS 10 4.889 2.861 -17.779 222 HD1 HIS 10 HD1 HIS 10 3.773 2.814 -20.177 223 HD2 HIS 10 HD2 HIS 10 7.965 2.752 -20.158 224 HE1 HIS 10 HE1 HIS 10 4.513 2.212 -22.538 225 HE2 HIS 10 HE2 HIS 10 7.043 2.186 -22.514 226 H LEU 11 H LEU 11 5.879 4.999 -15.411 227 HA LEU 11 HA LEU 11 3.053 4.867 -14.895 228 HB2 LEU 11 1HB LEU 11 4.847 4.123 -13.349 229 HB3 LEU 11 2HB LEU 11 5.329 5.791 -13.116 230 HG LEU 11 HG LEU 11 3.581 6.261 -11.692 231 HD11 LEU 11 1HD1 LEU 11 1.552 4.871 -11.397 232 HD12 LEU 11 2HD1 LEU 11 2.066 3.864 -12.767 233 HD13 LEU 11 3HD1 LEU 11 1.654 5.577 -13.017 234 HD21 LEU 11 3HD2 LEU 11 4.026 3.264 -11.333 235 HD22 LEU 11 1HD2 LEU 11 3.543 4.425 -10.077 236 HD23 LEU 11 2HD2 LEU 11 5.157 4.538 -10.814 237 H VAL 12 H VAL 12 5.399 7.617 -14.835 238 HA VAL 12 HA VAL 12 3.275 9.449 -14.163 239 HB VAL 12 HB VAL 12 4.881 11.261 -14.677 240 HG11 VAL 12 1HG1 VAL 12 6.456 10.745 -12.878 241 HG12 VAL 12 2HG1 VAL 12 4.850 10.117 -12.457 242 HG13 VAL 12 3HG1 VAL 12 6.118 9.005 -13.029 243 HG21 VAL 12 3HG2 VAL 12 6.087 10.194 -16.571 244 HG22 VAL 12 1HG2 VAL 12 7.190 10.766 -15.307 245 HG23 VAL 12 2HG2 VAL 12 6.817 9.036 -15.434 246 H GLU 13 H GLU 13 4.525 8.198 -17.221 247 HA GLU 13 HA GLU 13 3.253 10.108 -18.942 248 HB2 GLU 13 1HB GLU 13 4.034 7.204 -19.238 249 HB3 GLU 13 2HB GLU 13 3.202 8.064 -20.537 250 HG2 GLU 13 1HG GLU 13 5.002 9.641 -20.764 251 HG3 GLU 13 2HG GLU 13 5.803 9.027 -19.316 252 HE2 GLU 13 HE2 GLU 13 7.375 7.655 -22.219 253 H ALA 14 H ALA 14 2.102 7.086 -17.404 254 HA ALA 14 HA ALA 14 -0.467 7.121 -18.687 255 HB1 ALA 14 3HB ALA 14 0.543 5.133 -17.588 256 HB2 ALA 14 1HB ALA 14 0.352 5.929 -16.009 257 HB3 ALA 14 2HB ALA 14 -1.083 5.498 -16.967 258 H LEU 15 H LEU 15 0.809 8.520 -15.659 259 HA LEU 15 HA LEU 15 -1.728 9.371 -14.651 260 HB2 LEU 15 1HB LEU 15 1.094 10.363 -14.161 261 HB3 LEU 15 2HB LEU 15 -0.315 10.956 -13.287 262 HG LEU 15 HG LEU 15 0.562 8.060 -13.288 263 HD11 LEU 15 1HD1 LEU 15 2.215 9.527 -12.153 264 HD12 LEU 15 2HD1 LEU 15 1.391 8.407 -11.052 265 HD13 LEU 15 3HD1 LEU 15 0.913 10.118 -11.098 266 HD21 LEU 15 3HD2 LEU 15 -1.502 9.606 -11.747 267 HD22 LEU 15 1HD2 LEU 15 -0.993 7.938 -11.380 268 HD23 LEU 15 2HD2 LEU 15 -1.781 8.299 -12.916 269 H TYR 16 H TYR 16 0.576 10.921 -16.876 270 HA TYR 16 HA TYR 16 -0.701 13.492 -16.906 271 HB2 TYR 16 1HB TYR 16 0.937 11.968 -18.954 272 HB3 TYR 16 2HB TYR 16 0.181 13.512 -19.349 273 HD1 TYR 16 HD1 TYR 16 0.667 15.511 -17.665 274 HD2 TYR 16 HD2 TYR 16 3.135 12.015 -18.075 275 HE1 TYR 16 HE1 TYR 16 2.591 16.742 -16.656 276 HE2 TYR 16 HE2 TYR 16 5.050 13.249 -17.060 277 HH TYR 16 HH TYR 16 4.785 16.636 -15.997 278 H LEU 17 H LEU 17 -1.428 10.432 -18.605 279 HA LEU 17 HA LEU 17 -3.427 11.652 -20.300 280 HB2 LEU 17 1HB LEU 17 -3.125 8.781 -19.391 281 HB3 LEU 17 2HB LEU 17 -4.202 9.360 -20.645 282 HG LEU 17 HG LEU 17 -1.179 9.540 -20.792 283 HD11 LEU 17 1HD1 LEU 17 -1.313 7.583 -22.276 284 HD12 LEU 17 2HD1 LEU 17 -3.071 7.489 -22.012 285 HD13 LEU 17 3HD1 LEU 17 -1.949 7.195 -20.663 286 HD21 LEU 17 3HD2 LEU 17 -2.301 11.162 -22.244 287 HD22 LEU 17 1HD2 LEU 17 -3.342 9.883 -22.908 288 HD23 LEU 17 2HD2 LEU 17 -1.590 9.864 -23.218 289 H VAL 18 H VAL 18 -3.620 9.776 -17.255 290 HA VAL 18 HA VAL 18 -6.486 9.628 -17.292 291 HB VAL 18 HB VAL 18 -4.473 9.288 -15.008 292 HG11 VAL 18 1HG1 VAL 18 -7.436 8.546 -15.086 293 HG12 VAL 18 2HG1 VAL 18 -6.283 8.040 -13.826 294 HG13 VAL 18 3HG1 VAL 18 -6.674 9.754 -14.027 295 HG21 VAL 18 3HG2 VAL 18 -4.193 7.684 -16.825 296 HG22 VAL 18 1HG2 VAL 18 -4.889 6.877 -15.416 297 HG23 VAL 18 2HG2 VAL 18 -5.926 7.298 -16.793 298 H CYS 19 H CYS 19 -4.208 11.829 -15.668 299 HA CYS 19 HA CYS 19 -6.566 13.288 -14.603 300 HB2 CYS 19 1HB CYS 19 -3.643 13.337 -13.841 301 HB3 CYS 19 2HB CYS 19 -4.899 14.360 -13.107 302 H GLY 20 H GLY 20 -4.429 13.519 -17.264 303 HA2 GLY 20 1HA GLY 20 -4.195 15.232 -18.780 304 HA3 GLY 20 2HA GLY 20 -5.729 15.838 -18.157 305 H GLU 21 H GLU 21 -5.368 17.943 -18.236 306 HA GLU 21 HA GLU 21 -2.910 19.205 -17.517 307 HB2 GLU 21 1HB GLU 21 -5.719 20.310 -17.834 308 HB3 GLU 21 2HB GLU 21 -4.255 21.293 -17.706 309 HG2 GLU 21 1HG GLU 21 -3.378 20.245 -19.774 310 HG3 GLU 21 2HG GLU 21 -4.871 19.306 -19.923 311 HE2 GLU 21 HE2 GLU 21 -4.855 22.518 -21.744 312 H ARG 22 H ARG 22 -5.293 17.970 -15.332 313 HA ARG 22 HA ARG 22 -5.115 20.196 -13.473 314 HB2 ARG 22 1HB ARG 22 -6.620 19.095 -12.180 315 HB3 ARG 22 2HB ARG 22 -6.954 18.339 -13.737 316 HG2 ARG 22 1HG ARG 22 -5.317 16.485 -12.970 317 HG3 ARG 22 2HG ARG 22 -5.457 17.212 -11.358 318 HD2 ARG 22 1HD ARG 22 -7.087 15.531 -11.384 319 HD3 ARG 22 2HD ARG 22 -7.992 17.030 -11.693 320 HE ARG 22 HE ARG 22 -7.172 15.926 -14.177 321 HH11 ARG 22 1HH1 ARG 22 -9.466 15.174 -11.592 322 HH12 ARG 22 2HH1 ARG 22 -10.517 14.285 -12.659 323 HH21 ARG 22 1HH2 ARG 22 -8.547 14.768 -15.463 324 HH22 ARG 22 2HH2 ARG 22 -10.000 14.057 -14.819 325 H GLY 23 H GLY 23 -2.982 17.697 -14.298 326 HA2 GLY 23 1HA GLY 23 -0.844 17.359 -13.446 327 HA3 GLY 23 2HA GLY 23 -1.209 18.456 -12.105 328 H PHE 24 H PHE 24 0.189 16.430 -11.321 329 HA PHE 24 HA PHE 24 -1.568 14.851 -9.633 330 HB2 PHE 24 1HB PHE 24 -0.830 12.666 -10.449 331 HB3 PHE 24 2HB PHE 24 -1.695 13.540 -11.713 332 HD1 PHE 24 HD2 PHE 24 1.631 12.423 -10.574 333 HD2 PHE 24 HD1 PHE 24 -0.643 14.177 -13.757 334 HE1 PHE 24 HE2 PHE 24 3.525 12.067 -12.093 335 HE2 PHE 24 HE1 PHE 24 1.258 13.822 -15.304 336 HZ PHE 24 HZ PHE 24 3.364 12.780 -14.491 337 H PHE 25 H PHE 25 0.001 13.176 -8.464 338 HA PHE 25 HA PHE 25 2.724 14.371 -8.165 339 HB2 PHE 25 1HB PHE 25 2.539 13.904 -5.706 340 HB3 PHE 25 2HB PHE 25 1.491 15.213 -6.263 341 HD1 PHE 25 HD2 PHE 25 1.500 11.604 -5.258 342 HD2 PHE 25 HD1 PHE 25 -0.865 15.133 -5.964 343 HE1 PHE 25 HE2 PHE 25 -0.480 10.477 -4.249 344 HE2 PHE 25 HE1 PHE 25 -2.845 14.013 -4.942 345 HZ PHE 25 HZ PHE 25 -2.659 11.679 -4.098 346 H TYR 26 H TYR 26 4.167 12.664 -7.060 347 HA TYR 26 HA TYR 26 3.227 9.911 -7.660 348 HB2 TYR 26 1HB TYR 26 4.301 10.605 -9.715 349 HB3 TYR 26 2HB TYR 26 5.684 11.264 -8.828 350 HD1 TYR 26 HD2 TYR 26 3.833 7.958 -8.847 351 HD2 TYR 26 HD1 TYR 26 7.625 9.988 -9.045 352 HE1 TYR 26 HE2 TYR 26 5.010 5.774 -8.905 353 HE2 TYR 26 HE1 TYR 26 8.787 7.783 -9.167 354 HH TYR 26 HH TYR 26 7.000 4.693 -9.031 355 H THR 27 H THR 27 4.146 8.344 -6.419 356 HA THR 27 HA THR 27 5.888 9.287 -4.198 357 HB THR 27 HB THR 27 5.120 7.194 -3.047 358 HG1 THR 27 HG1 THR 27 4.600 6.136 -5.099 359 HG21 THR 27 1HG2 THR 27 2.871 7.961 -2.551 360 HG22 THR 27 2HG2 THR 27 2.797 8.884 -4.065 361 HG23 THR 27 3HG2 THR 27 3.912 9.387 -2.771 362 HA PRO 28 HA PRO 28 8.685 6.665 -6.660 363 HB2 PRO 28 1HB PRO 28 11.051 7.818 -5.983 364 HB3 PRO 28 2HB PRO 28 9.937 8.585 -7.163 365 HG2 PRO 28 1HG PRO 28 10.253 9.139 -4.231 366 HG3 PRO 28 2HG PRO 28 10.251 10.291 -5.601 367 HD2 PRO 28 1HD PRO 28 8.040 9.810 -4.096 368 HD3 PRO 28 2HD PRO 28 7.936 10.158 -5.854 369 H LYS 29 H LYS 29 10.521 5.216 -5.976 370 HA LYS 29 HA LYS 29 10.054 4.226 -3.233 371 HB2 LYS 29 1HB LYS 29 11.935 3.241 -5.420 372 HB3 LYS 29 2HB LYS 29 11.670 2.455 -3.857 373 HG2 LYS 29 1HG LYS 29 9.201 2.289 -4.539 374 HG3 LYS 29 2HG LYS 29 9.742 2.707 -6.174 375 HD2 LYS 29 1HD LYS 29 10.754 0.332 -4.528 376 HD3 LYS 29 2HD LYS 29 9.533 0.245 -5.804 377 HE2 LYS 29 1HE LYS 29 11.365 -0.367 -7.038 378 HE3 LYS 29 2HE LYS 29 11.456 1.386 -7.270 379 HZ1 LYS 29 3HZ LYS 29 13.119 1.457 -5.481 380 HZ2 LYS 29 1HZ LYS 29 13.613 0.440 -6.683 381 HZ3 LYS 29 2HZ LYS 29 13.021 -0.176 -5.274 382 H THR 30 H THR 30 10.888 5.907 -1.958 383 HA THR 30 HA THR 30 13.539 6.981 -2.428 384 HB THR 30 HB THR 30 13.106 8.088 -0.174 385 HG1 THR 30 HG1 THR 30 11.839 6.438 0.724 386 HG21 THR 30 1HG2 THR 30 10.725 8.217 -2.141 387 HG22 THR 30 2HG2 THR 30 12.248 9.108 -2.355 388 HG23 THR 30 3HG2 THR 30 11.199 9.460 -0.973 389 HXT THR 30 H02 THR 30 14.425 5.117 -2.548 Start of MODEL 6 1 H1 GLY 1 3H0 GLY 1 2.684 -0.509 -1.121 2 H2 GLY 1 2H0 GLY 1 2.499 0.208 0.354 3 H3 GLY 1 1H0 GLY 1 1.198 0.019 -0.643 4 HA2 GLY 1 1HA GLY 1 1.941 2.301 -0.650 5 HA3 GLY 1 2HA GLY 1 3.533 1.734 -1.185 6 H ILE 2 H ILE 2 1.145 3.413 -2.389 7 HA ILE 2 HA ILE 2 -0.089 1.880 -4.355 8 HB ILE 2 HB ILE 2 -0.757 4.144 -3.487 9 HG12 ILE 2 1HG1 ILE 2 -0.757 3.874 -6.506 10 HG13 ILE 2 2HG1 ILE 2 -1.790 2.946 -5.419 11 HG21 ILE 2 1HG2 ILE 2 1.478 5.284 -3.843 12 HG22 ILE 2 2HG2 ILE 2 1.154 5.272 -5.592 13 HG23 ILE 2 3HG2 ILE 2 0.100 6.186 -4.498 14 HD11 ILE 2 3HD1 ILE 2 -2.806 5.093 -4.595 15 HD12 ILE 2 1HD1 ILE 2 -1.837 5.975 -5.806 16 HD13 ILE 2 2HD1 ILE 2 -3.064 4.804 -6.333 17 H VAL 3 H VAL 3 3.038 3.584 -4.695 18 HA VAL 3 HA VAL 3 3.202 3.217 -7.507 19 HB VAL 3 HB VAL 3 4.657 4.806 -6.404 20 HG11 VAL 3 1HG1 VAL 3 4.945 3.679 -4.223 21 HG12 VAL 3 2HG1 VAL 3 6.007 2.465 -4.989 22 HG13 VAL 3 3HG1 VAL 3 6.500 4.168 -4.917 23 HG21 VAL 3 3HG2 VAL 3 5.470 3.733 -8.497 24 HG22 VAL 3 1HG2 VAL 3 6.790 4.271 -7.441 25 HG23 VAL 3 2HG2 VAL 3 6.368 2.546 -7.525 26 H GLU 4 H GLU 4 4.093 1.017 -4.827 27 HA GLU 4 HA GLU 4 5.396 -0.875 -6.530 28 HB2 GLU 4 1HB GLU 4 5.601 -0.700 -4.023 29 HB3 GLU 4 2HB GLU 4 3.970 -1.367 -3.889 30 HG2 GLU 4 1HG GLU 4 5.533 -3.142 -3.550 31 HG3 GLU 4 2HG GLU 4 4.759 -3.390 -5.118 32 HE2 GLU 4 HE2 GLU 4 6.300 -4.520 -5.822 33 H GLN 5 H GLN 5 2.044 -0.381 -5.459 34 HA GLN 5 HA GLN 5 1.012 -2.877 -6.364 35 HB2 GLN 5 1HB GLN 5 -0.289 -0.154 -6.033 36 HB3 GLN 5 2HB GLN 5 -1.187 -1.634 -6.378 37 HG2 GLN 5 1HG GLN 5 -0.811 -2.528 -4.265 38 HG3 GLN 5 2HG GLN 5 0.672 -1.600 -4.011 39 HE21 GLN 5 2HE2 GLN 5 -2.678 -0.632 -4.851 40 HE22 GLN 5 1HE2 GLN 5 -2.843 0.482 -3.517 41 H CYS 6 H CYS 6 1.354 0.296 -8.040 42 HA CYS 6 HA CYS 6 0.168 -0.788 -10.469 43 HB2 CYS 6 1HB CYS 6 1.811 1.735 -10.078 44 HB3 CYS 6 2HB CYS 6 0.782 1.350 -11.464 45 H CYS 7 H CYS 7 3.376 -0.702 -9.115 46 HA CYS 7 HA CYS 7 4.766 -1.041 -11.623 47 HB2 CYS 7 1HB CYS 7 5.759 -0.185 -9.459 48 HB3 CYS 7 2HB CYS 7 5.658 -1.829 -8.825 49 H THR 8 H THR 8 3.785 -3.290 -8.979 50 HA THR 8 HA THR 8 4.760 -5.554 -10.575 51 HB THR 8 HB THR 8 5.071 -5.328 -8.048 52 HG1 THR 8 HG1 THR 8 3.920 -7.633 -9.254 53 HG21 THR 8 1HG2 THR 8 2.622 -4.746 -7.592 54 HG22 THR 8 2HG2 THR 8 3.323 -6.024 -6.577 55 HG23 THR 8 3HG2 THR 8 2.252 -6.453 -7.925 56 H SER 9 H SER 9 1.680 -4.008 -10.018 57 HA SER 9 HA SER 9 0.443 -6.198 -11.611 58 HB2 SER 9 1HB SER 9 -0.785 -4.864 -9.125 59 HB3 SER 9 2HB SER 9 -1.616 -6.021 -10.186 60 HG SER 9 HG SER 9 -0.723 -7.039 -8.342 61 H ILE 10 H ILE 10 -2.114 -5.095 -11.908 62 HA ILE 10 HA ILE 10 -1.251 -2.780 -13.569 63 HB ILE 10 HB ILE 10 -3.526 -4.732 -14.054 64 HG12 ILE 10 1HG1 ILE 10 -0.730 -4.413 -15.210 65 HG13 ILE 10 2HG1 ILE 10 -1.327 -5.765 -14.251 66 HG21 ILE 10 1HG2 ILE 10 -2.387 -2.490 -15.798 67 HG22 ILE 10 2HG2 ILE 10 -3.684 -3.617 -16.252 68 HG23 ILE 10 3HG2 ILE 10 -3.955 -2.444 -14.966 69 HD11 ILE 10 3HD1 ILE 10 -2.004 -5.075 -17.083 70 HD12 ILE 10 1HD1 ILE 10 -1.180 -6.511 -16.450 71 HD13 ILE 10 2HD1 ILE 10 -2.917 -6.271 -16.125 72 H CYS 11 H CYS 11 -1.718 -0.934 -12.640 73 HA CYS 11 HA CYS 11 -4.229 -0.545 -11.162 74 HB2 CYS 11 1HB CYS 11 -1.984 1.312 -12.034 75 HB3 CYS 11 2HB CYS 11 -3.447 1.876 -11.216 76 H SER 12 H SER 12 -6.078 -0.242 -12.205 77 HA SER 12 HA SER 12 -6.189 0.452 -15.039 78 HB2 SER 12 1HB SER 12 -8.638 0.527 -14.612 79 HB3 SER 12 2HB SER 12 -7.913 -0.966 -13.977 80 HG SER 12 HG SER 12 -9.130 -0.230 -12.333 81 H LEU 13 H LEU 13 -7.552 2.471 -15.654 82 HA LEU 13 HA LEU 13 -6.210 4.769 -14.751 83 HB2 LEU 13 1HB LEU 13 -7.748 6.043 -16.030 84 HB3 LEU 13 2HB LEU 13 -7.417 4.551 -16.890 85 HG LEU 13 HG LEU 13 -9.724 3.870 -15.581 86 HD11 LEU 13 1HD1 LEU 13 -9.926 6.831 -16.299 87 HD12 LEU 13 2HD1 LEU 13 -10.044 6.135 -14.664 88 HD13 LEU 13 3HD1 LEU 13 -11.290 5.772 -15.870 89 HD21 LEU 13 3HD2 LEU 13 -9.461 5.259 -18.271 90 HD22 LEU 13 1HD2 LEU 13 -10.828 4.248 -17.743 91 HD23 LEU 13 2HD2 LEU 13 -9.223 3.521 -17.950 92 H TYR 14 H TYR 14 -9.149 3.273 -13.482 93 HA TYR 14 HA TYR 14 -10.032 5.465 -11.910 94 HB2 TYR 14 1HB TYR 14 -10.311 2.533 -11.229 95 HB3 TYR 14 2HB TYR 14 -11.414 3.849 -10.819 96 HD1 TYR 14 HD1 TYR 14 -12.500 5.114 -12.899 97 HD2 TYR 14 HD2 TYR 14 -10.694 1.213 -13.128 98 HE1 TYR 14 HE1 TYR 14 -13.727 4.661 -15.027 99 HE2 TYR 14 HE2 TYR 14 -11.913 0.779 -15.265 100 HH TYR 14 HH TYR 14 -14.148 3.152 -16.702 101 H GLN 15 H GLN 15 -7.703 2.865 -11.273 102 HA GLN 15 HA GLN 15 -7.290 3.578 -8.481 103 HB2 GLN 15 1HB GLN 15 -5.564 2.002 -10.415 104 HB3 GLN 15 2HB GLN 15 -5.321 2.123 -8.667 105 HG2 GLN 15 1HG GLN 15 -7.922 1.340 -8.752 106 HG3 GLN 15 2HG GLN 15 -7.313 0.561 -10.222 107 HE21 GLN 15 2HE2 GLN 15 -7.843 0.143 -7.019 108 HE22 GLN 15 1HE2 GLN 15 -6.630 -1.057 -6.673 109 H LEU 16 H LEU 16 -5.794 4.359 -11.605 110 HA LEU 16 HA LEU 16 -3.529 5.746 -10.562 111 HB2 LEU 16 1HB LEU 16 -4.983 5.943 -13.202 112 HB3 LEU 16 2HB LEU 16 -3.496 6.814 -12.852 113 HG LEU 16 HG LEU 16 -3.754 3.790 -12.736 114 HD11 LEU 16 1HD1 LEU 16 -2.584 5.526 -14.935 115 HD12 LEU 16 2HD1 LEU 16 -4.134 4.655 -15.015 116 HD13 LEU 16 3HD1 LEU 16 -2.629 3.747 -14.882 117 HD21 LEU 16 3HD2 LEU 16 -1.329 5.635 -12.715 118 HD22 LEU 16 1HD2 LEU 16 -1.266 3.861 -12.842 119 HD23 LEU 16 2HD2 LEU 16 -1.902 4.617 -11.373 120 H GLU 17 H GLU 17 -6.872 6.820 -11.110 121 HA GLU 17 HA GLU 17 -6.466 9.617 -11.000 122 HB2 GLU 17 1HB GLU 17 -8.712 7.871 -9.957 123 HB3 GLU 17 2HB GLU 17 -8.768 9.633 -9.889 124 HG2 GLU 17 1HG GLU 17 -8.660 9.797 -12.301 125 HG3 GLU 17 2HG GLU 17 -8.427 8.055 -12.446 126 HE2 GLU 17 HE2 GLU 17 -12.000 9.367 -11.359 127 H ASN 18 H ASN 18 -6.172 7.267 -8.379 128 HA ASN 18 HA ASN 18 -6.510 9.055 -6.186 129 HB2 ASN 18 1HB ASN 18 -4.919 6.504 -6.509 130 HB3 ASN 18 2HB ASN 18 -4.987 7.394 -4.983 131 HD21 ASN 18 2HD2 ASN 18 -6.583 5.202 -7.054 132 HD22 ASN 18 1HD2 ASN 18 -8.045 5.038 -6.099 133 H TYR 19 H TYR 19 -3.771 8.596 -8.362 134 HA TYR 19 HA TYR 19 -1.736 9.798 -6.694 135 HB2 TYR 19 1HB TYR 19 -2.108 9.414 -9.661 136 HB3 TYR 19 2HB TYR 19 -0.684 10.214 -9.034 137 HD1 TYR 19 HD2 TYR 19 -2.514 6.950 -9.066 138 HD2 TYR 19 HD1 TYR 19 1.142 8.998 -8.102 139 HE1 TYR 19 HE2 TYR 19 -1.363 4.762 -8.821 140 HE2 TYR 19 HE1 TYR 19 2.292 6.804 -7.860 141 HH TYR 19 HH TYR 19 2.122 4.553 -8.061 142 H CYS 20 H CYS 20 -4.441 11.071 -8.424 143 HA CYS 20 HA CYS 20 -3.507 13.844 -7.884 144 HB2 CYS 20 1HB CYS 20 -4.595 14.448 -10.095 145 HB3 CYS 20 2HB CYS 20 -3.065 13.580 -10.185 146 H ASN 21 H ASN 21 -5.058 12.260 -6.255 147 HA ASN 21 HA ASN 21 -7.873 12.426 -6.722 148 HB2 ASN 21 1HB ASN 21 -6.755 10.968 -4.951 149 HB3 ASN 21 2HB ASN 21 -6.510 12.422 -3.980 150 HD21 ASN 21 2HD2 ASN 21 -7.978 12.527 -2.402 151 HD22 ASN 21 1HD2 ASN 21 -9.665 12.131 -2.588 152 HXT ASN 21 H02 ASN 21 -5.841 14.448 -5.176 153 H1 PHE 1 3H0 PHE 1 -8.965 3.240 -22.419 154 H2 PHE 1 2H0 PHE 1 -8.308 2.353 -23.646 155 H3 PHE 1 1H0 PHE 1 -9.189 1.605 -22.470 156 HA PHE 1 HA PHE 1 -6.595 2.953 -22.092 157 HB2 PHE 1 1HB PHE 1 -8.356 3.025 -20.205 158 HB3 PHE 1 2HB PHE 1 -8.132 1.276 -20.078 159 HD1 PHE 1 HD2 PHE 1 -6.429 4.583 -19.763 160 HD2 PHE 1 HD1 PHE 1 -6.209 0.356 -18.941 161 HE1 PHE 1 HE2 PHE 1 -4.461 4.977 -18.292 162 HE2 PHE 1 HE1 PHE 1 -4.234 0.747 -17.471 163 HZ PHE 1 HZ PHE 1 -3.353 3.061 -17.156 164 H VAL 2 H VAL 2 -4.801 1.443 -21.710 165 HA VAL 2 HA VAL 2 -5.415 -1.328 -22.667 166 HB VAL 2 HB VAL 2 -2.880 0.318 -23.181 167 HG11 VAL 2 1HG1 VAL 2 -3.658 -2.498 -24.089 168 HG12 VAL 2 2HG1 VAL 2 -2.213 -1.605 -24.621 169 HG13 VAL 2 3HG1 VAL 2 -2.378 -2.084 -22.920 170 HG21 VAL 2 3HG2 VAL 2 -4.696 1.117 -24.611 171 HG22 VAL 2 1HG2 VAL 2 -3.569 0.164 -25.590 172 HG23 VAL 2 2HG2 VAL 2 -5.115 -0.549 -25.075 173 H ASN 3 H ASN 3 -4.912 -2.845 -21.191 174 HA ASN 3 HA ASN 3 -3.824 -2.048 -18.636 175 HB2 ASN 3 1HB ASN 3 -4.415 -4.754 -19.882 176 HB3 ASN 3 2HB ASN 3 -3.735 -4.563 -18.262 177 HD21 ASN 3 2HD2 ASN 3 -6.290 -5.738 -19.020 178 HD22 ASN 3 1HD2 ASN 3 -7.515 -4.790 -18.213 179 H GLN 4 H GLN 4 -1.810 -1.997 -17.944 180 HA GLN 4 HA GLN 4 0.178 -3.865 -18.907 181 HB2 GLN 4 1HB GLN 4 1.792 -2.125 -19.614 182 HB3 GLN 4 2HB GLN 4 0.379 -2.156 -20.673 183 HG2 GLN 4 1HG GLN 4 -0.561 -0.210 -19.385 184 HG3 GLN 4 2HG GLN 4 0.959 -0.140 -18.485 185 HE21 GLN 4 2HE2 GLN 4 -0.593 0.317 -21.584 186 HE22 GLN 4 1HE2 GLN 4 0.692 1.263 -22.299 187 H HIS 5 H HIS 5 1.842 -3.940 -17.351 188 HA HIS 5 HA HIS 5 1.330 -2.742 -14.741 189 HB2 HIS 5 1HB HIS 5 3.850 -4.019 -15.900 190 HB3 HIS 5 2HB HIS 5 3.644 -3.525 -14.216 191 HD1 HIS 5 HD1 HIS 5 1.083 -4.624 -13.308 192 HD2 HIS 5 HD2 HIS 5 3.469 -6.728 -15.930 193 HE1 HIS 5 HE1 HIS 5 0.367 -7.085 -13.197 194 HE2 HIS 5 HE2 HIS 5 1.870 -8.335 -14.774 195 H LEU 6 H LEU 6 2.296 -0.892 -13.848 196 HA LEU 6 HA LEU 6 3.633 0.892 -15.862 197 HB2 LEU 6 1HB LEU 6 1.461 1.487 -13.833 198 HB3 LEU 6 2HB LEU 6 2.378 2.733 -14.668 199 HG LEU 6 HG LEU 6 0.694 0.673 -16.112 200 HD11 LEU 6 1HD1 LEU 6 -0.977 2.462 -16.329 201 HD12 LEU 6 2HD1 LEU 6 -0.003 3.495 -15.255 202 HD13 LEU 6 3HD1 LEU 6 -0.723 1.987 -14.641 203 HD21 LEU 6 3HD2 LEU 6 1.958 3.303 -16.972 204 HD22 LEU 6 1HD2 LEU 6 0.801 2.375 -17.949 205 HD23 LEU 6 2HD2 LEU 6 2.376 1.669 -17.550 206 H CYS 7 H CYS 7 5.681 0.975 -15.198 207 HA CYS 7 HA CYS 7 6.156 1.895 -12.410 208 HB2 CYS 7 1HB CYS 7 6.505 -0.689 -12.952 209 HB3 CYS 7 2HB CYS 7 8.011 -0.112 -13.674 210 H GLY 8 H GLY 8 8.258 3.007 -12.228 211 HA2 GLY 8 1HA GLY 8 9.842 4.492 -13.029 212 HA3 GLY 8 2HA GLY 8 9.903 3.502 -14.500 213 H SER 9 H SER 9 9.993 5.166 -15.981 214 HA SER 9 HA SER 9 8.428 7.501 -15.938 215 HB2 SER 9 1HB SER 9 8.977 6.571 -18.631 216 HB3 SER 9 2HB SER 9 9.708 7.919 -17.728 217 HG SER 9 HG SER 9 11.311 6.417 -18.151 218 H HIS 10 H HIS 10 7.530 4.240 -17.041 219 HA HIS 10 HA HIS 10 5.372 5.026 -18.745 220 HB2 HIS 10 1HB HIS 10 6.110 2.545 -17.251 221 HB3 HIS 10 2HB HIS 10 4.428 2.712 -17.742 222 HD1 HIS 10 HD1 HIS 10 3.891 1.752 -19.999 223 HD2 HIS 10 HD2 HIS 10 7.890 3.017 -19.688 224 HE1 HIS 10 HE1 HIS 10 5.021 1.207 -22.205 225 HE2 HIS 10 HE2 HIS 10 7.424 1.985 -22.014 226 H LEU 11 H LEU 11 5.554 4.630 -15.206 227 HA LEU 11 HA LEU 11 2.717 4.827 -14.782 228 HB2 LEU 11 1HB LEU 11 4.336 3.966 -13.107 229 HB3 LEU 11 2HB LEU 11 5.050 5.569 -12.978 230 HG LEU 11 HG LEU 11 2.940 6.443 -12.033 231 HD11 LEU 11 1HD1 LEU 11 2.040 3.537 -12.160 232 HD12 LEU 11 2HD1 LEU 11 1.301 4.923 -13.003 233 HD13 LEU 11 3HD1 LEU 11 1.223 4.820 -11.236 234 HD21 LEU 11 3HD2 LEU 11 4.020 3.978 -10.610 235 HD22 LEU 11 1HD2 LEU 11 3.186 5.360 -9.859 236 HD23 LEU 11 2HD2 LEU 11 4.777 5.592 -10.608 237 H VAL 12 H VAL 12 5.369 7.206 -14.842 238 HA VAL 12 HA VAL 12 3.771 9.455 -14.112 239 HB VAL 12 HB VAL 12 6.333 9.347 -15.783 240 HG11 VAL 12 1HG1 VAL 12 5.171 11.615 -14.131 241 HG12 VAL 12 2HG1 VAL 12 6.713 11.640 -15.015 242 HG13 VAL 12 3HG1 VAL 12 5.182 11.526 -15.905 243 HG21 VAL 12 3HG2 VAL 12 7.474 9.793 -13.588 244 HG22 VAL 12 1HG2 VAL 12 5.916 9.532 -12.767 245 HG23 VAL 12 2HG2 VAL 12 6.694 8.203 -13.663 246 H GLU 13 H GLU 13 4.710 8.088 -17.287 247 HA GLU 13 HA GLU 13 3.500 10.128 -18.885 248 HB2 GLU 13 1HB GLU 13 4.099 7.196 -19.387 249 HB3 GLU 13 2HB GLU 13 3.479 8.278 -20.640 250 HG2 GLU 13 1HG GLU 13 5.447 9.650 -20.553 251 HG3 GLU 13 2HG GLU 13 6.042 8.822 -19.112 252 HE2 GLU 13 HE2 GLU 13 7.041 7.534 -22.570 253 H ALA 14 H ALA 14 2.225 7.160 -17.402 254 HA ALA 14 HA ALA 14 -0.286 7.237 -18.822 255 HB1 ALA 14 3HB ALA 14 0.455 5.953 -16.161 256 HB2 ALA 14 1HB ALA 14 -1.011 5.609 -17.111 257 HB3 ALA 14 2HB ALA 14 0.590 5.192 -17.765 258 H LEU 15 H LEU 15 0.889 8.584 -15.742 259 HA LEU 15 HA LEU 15 -1.681 9.346 -14.774 260 HB2 LEU 15 1HB LEU 15 1.128 10.272 -14.184 261 HB3 LEU 15 2HB LEU 15 -0.270 11.015 -13.415 262 HG LEU 15 HG LEU 15 0.392 8.069 -13.211 263 HD11 LEU 15 1HD1 LEU 15 0.791 10.245 -11.154 264 HD12 LEU 15 2HD1 LEU 15 2.089 9.503 -12.119 265 HD13 LEU 15 3HD1 LEU 15 1.159 8.514 -10.977 266 HD21 LEU 15 3HD2 LEU 15 -1.964 8.502 -12.962 267 HD22 LEU 15 1HD2 LEU 15 -1.625 9.811 -11.814 268 HD23 LEU 15 2HD2 LEU 15 -1.254 8.122 -11.396 269 H TYR 16 H TYR 16 0.513 10.986 -17.036 270 HA TYR 16 HA TYR 16 -0.755 13.554 -16.900 271 HB2 TYR 16 1HB TYR 16 0.691 12.074 -19.115 272 HB3 TYR 16 2HB TYR 16 -0.077 13.637 -19.403 273 HD1 TYR 16 HD1 TYR 16 0.619 15.646 -17.949 274 HD2 TYR 16 HD2 TYR 16 2.887 12.000 -18.160 275 HE1 TYR 16 HE1 TYR 16 2.630 16.838 -17.079 276 HE2 TYR 16 HE2 TYR 16 4.902 13.209 -17.317 277 HH TYR 16 HH TYR 16 4.829 16.668 -16.471 278 H LEU 17 H LEU 17 -1.580 10.577 -18.665 279 HA LEU 17 HA LEU 17 -3.700 11.810 -20.185 280 HB2 LEU 17 1HB LEU 17 -3.307 8.908 -19.399 281 HB3 LEU 17 2HB LEU 17 -4.389 9.514 -20.639 282 HG LEU 17 HG LEU 17 -1.362 9.744 -20.741 283 HD11 LEU 17 1HD1 LEU 17 -3.211 7.734 -22.084 284 HD12 LEU 17 2HD1 LEU 17 -2.099 7.392 -20.735 285 HD13 LEU 17 3HD1 LEU 17 -1.452 7.864 -22.320 286 HD21 LEU 17 3HD2 LEU 17 -3.498 10.165 -22.873 287 HD22 LEU 17 1HD2 LEU 17 -1.742 10.182 -23.155 288 HD23 LEU 17 2HD2 LEU 17 -2.485 11.425 -22.130 289 H VAL 18 H VAL 18 -3.604 9.891 -17.178 290 HA VAL 18 HA VAL 18 -6.490 9.708 -17.027 291 HB VAL 18 HB VAL 18 -4.325 9.146 -14.943 292 HG11 VAL 18 1HG1 VAL 18 -6.457 9.484 -13.819 293 HG12 VAL 18 2HG1 VAL 18 -7.283 8.414 -14.977 294 HG13 VAL 18 3HG1 VAL 18 -6.082 7.759 -13.844 295 HG21 VAL 18 3HG2 VAL 18 -4.094 7.725 -16.913 296 HG22 VAL 18 1HG2 VAL 18 -4.763 6.770 -15.586 297 HG23 VAL 18 2HG2 VAL 18 -5.828 7.340 -16.886 298 H CYS 19 H CYS 19 -4.028 11.736 -15.423 299 HA CYS 19 HA CYS 19 -6.082 13.002 -13.768 300 HB2 CYS 19 1HB CYS 19 -3.171 13.715 -14.238 301 HB3 CYS 19 2HB CYS 19 -4.209 14.363 -12.955 302 H GLY 20 H GLY 20 -4.835 13.399 -16.963 303 HA2 GLY 20 1HA GLY 20 -5.410 14.943 -18.565 304 HA3 GLY 20 2HA GLY 20 -6.620 15.593 -17.445 305 H GLU 21 H GLU 21 -6.075 17.672 -18.272 306 HA GLU 21 HA GLU 21 -3.455 18.800 -18.054 307 HB2 GLU 21 1HB GLU 21 -6.197 20.095 -18.209 308 HB3 GLU 21 2HB GLU 21 -4.665 20.967 -18.350 309 HG2 GLU 21 1HG GLU 21 -4.082 19.584 -20.332 310 HG3 GLU 21 2HG GLU 21 -5.662 18.795 -20.226 311 HE2 GLU 21 HE2 GLU 21 -4.260 20.587 -21.996 312 H ARG 22 H ARG 22 -5.552 17.966 -15.531 313 HA ARG 22 HA ARG 22 -5.164 20.213 -13.767 314 HB2 ARG 22 1HB ARG 22 -5.595 17.300 -13.121 315 HB3 ARG 22 2HB ARG 22 -5.732 18.636 -11.979 316 HG2 ARG 22 1HG ARG 22 -7.609 19.573 -13.348 317 HG3 ARG 22 2HG ARG 22 -7.528 18.116 -14.369 318 HD2 ARG 22 1HD ARG 22 -8.039 18.210 -11.380 319 HD3 ARG 22 2HD ARG 22 -9.234 17.819 -12.639 320 HE ARG 22 HE ARG 22 -7.366 15.984 -13.186 321 HH11 ARG 22 1HH1 ARG 22 -8.545 16.907 -9.967 322 HH12 ARG 22 2HH1 ARG 22 -8.172 15.340 -9.292 323 HH21 ARG 22 1HH2 ARG 22 -7.004 14.009 -12.241 324 HH22 ARG 22 2HH2 ARG 22 -7.320 13.755 -10.542 325 H GLY 23 H GLY 23 -3.188 17.496 -14.730 326 HA2 GLY 23 1HA GLY 23 -0.927 17.148 -14.241 327 HA3 GLY 23 2HA GLY 23 -0.973 18.487 -13.076 328 H PHE 24 H PHE 24 0.374 16.626 -12.026 329 HA PHE 24 HA PHE 24 -1.238 15.401 -9.935 330 HB2 PHE 24 1HB PHE 24 -0.541 13.093 -10.422 331 HB3 PHE 24 2HB PHE 24 -1.537 13.734 -11.727 332 HD1 PHE 24 HD1 PHE 24 -0.586 14.310 -13.904 333 HD2 PHE 24 HD2 PHE 24 1.793 12.553 -10.797 334 HE1 PHE 24 HE1 PHE 24 1.170 13.763 -15.557 335 HE2 PHE 24 HE2 PHE 24 3.547 11.978 -12.450 336 HZ PHE 24 HZ PHE 24 3.240 12.603 -14.852 337 H PHE 25 H PHE 25 0.536 13.896 -8.696 338 HA PHE 25 HA PHE 25 3.211 15.168 -8.977 339 HB2 PHE 25 1HB PHE 25 3.441 15.476 -6.623 340 HB3 PHE 25 2HB PHE 25 1.919 16.246 -7.083 341 HD1 PHE 25 HD2 PHE 25 -0.268 15.084 -6.545 342 HD2 PHE 25 HD1 PHE 25 3.518 13.663 -5.071 343 HE1 PHE 25 HE2 PHE 25 -1.452 13.699 -4.851 344 HE2 PHE 25 HE1 PHE 25 2.342 12.285 -3.364 345 HZ PHE 25 HZ PHE 25 -0.150 12.300 -3.250 346 H TYR 26 H TYR 26 4.847 13.819 -7.725 347 HA TYR 26 HA TYR 26 4.045 10.951 -7.608 348 HB2 TYR 26 1HB TYR 26 5.193 11.310 -9.760 349 HB3 TYR 26 2HB TYR 26 6.540 12.098 -8.925 350 HD1 TYR 26 HD1 TYR 26 4.637 8.838 -8.999 351 HD2 TYR 26 HD2 TYR 26 8.393 10.804 -8.239 352 HE1 TYR 26 HE1 TYR 26 5.734 6.625 -8.631 353 HE2 TYR 26 HE2 TYR 26 9.479 8.588 -7.905 354 HH TYR 26 HH TYR 26 9.215 6.337 -7.869 355 H THR 27 H THR 27 5.231 9.791 -6.050 356 HA THR 27 HA THR 27 6.610 11.524 -4.049 357 HB THR 27 HB THR 27 4.736 10.853 -2.891 358 HG1 THR 27 HG1 THR 27 6.592 8.709 -2.623 359 HG21 THR 27 1HG2 THR 27 4.860 8.297 -4.513 360 HG22 THR 27 2HG2 THR 27 3.609 9.568 -4.545 361 HG23 THR 27 3HG2 THR 27 3.771 8.520 -3.122 362 HA PRO 28 HA PRO 28 9.779 8.517 -5.434 363 HB2 PRO 28 1HB PRO 28 11.920 10.186 -5.335 364 HB3 PRO 28 2HB PRO 28 10.724 10.282 -6.668 365 HG2 PRO 28 1HG PRO 28 10.917 11.941 -4.171 366 HG3 PRO 28 2HG PRO 28 10.727 12.476 -5.871 367 HD2 PRO 28 1HD PRO 28 8.623 12.231 -4.134 368 HD3 PRO 28 2HD PRO 28 8.443 11.937 -5.895 369 H LYS 29 H LYS 29 11.853 7.801 -4.307 370 HA LYS 29 HA LYS 29 11.731 8.395 -1.379 371 HB2 LYS 29 1HB LYS 29 12.627 6.094 -1.014 372 HB3 LYS 29 2HB LYS 29 10.969 6.157 -1.605 373 HG2 LYS 29 1HG LYS 29 11.695 5.506 -3.861 374 HG3 LYS 29 2HG LYS 29 13.386 5.533 -3.339 375 HD2 LYS 29 1HD LYS 29 12.783 3.798 -1.593 376 HD3 LYS 29 2HD LYS 29 11.206 3.655 -2.394 377 HE2 LYS 29 1HE LYS 29 12.641 1.912 -3.259 378 HE3 LYS 29 2HE LYS 29 12.427 3.123 -4.542 379 HZ1 LYS 29 3HZ LYS 29 14.790 2.897 -2.751 380 HZ2 LYS 29 1HZ LYS 29 14.596 4.055 -3.908 381 HZ3 LYS 29 2HZ LYS 29 14.745 2.470 -4.343 382 H THR 30 H THR 30 13.231 9.943 -1.253 383 HA THR 30 HA THR 30 15.799 9.683 -2.664 384 HB THR 30 HB THR 30 16.130 11.934 -1.308 385 HG1 THR 30 HG1 THR 30 14.075 12.815 -0.749 386 HG21 THR 30 1HG2 THR 30 13.926 11.707 -3.460 387 HG22 THR 30 2HG2 THR 30 15.665 11.808 -3.803 388 HG23 THR 30 3HG2 THR 30 14.832 13.171 -3.045 389 HXT THR 30 H02 THR 30 16.285 8.979 1.113 Start of MODEL 7 1 H1 GLY 1 3H0 GLY 1 1.440 -2.152 -2.122 2 H2 GLY 1 2H0 GLY 1 0.845 -1.978 -0.593 3 H3 GLY 1 1H0 GLY 1 -0.189 -2.144 -1.868 4 HA2 GLY 1 1HA GLY 1 -0.123 0.131 -1.132 5 HA3 GLY 1 2HA GLY 1 1.630 0.126 -1.420 6 H ILE 2 H ILE 2 -0.187 1.959 -2.680 7 HA ILE 2 HA ILE 2 -1.239 0.982 -5.091 8 HB ILE 2 HB ILE 2 -1.849 3.125 -3.917 9 HG12 ILE 2 1HG1 ILE 2 -1.213 3.394 -6.871 10 HG13 ILE 2 2HG1 ILE 2 -2.585 2.506 -6.207 11 HG21 ILE 2 1HG2 ILE 2 0.553 4.365 -5.352 12 HG22 ILE 2 2HG2 ILE 2 -0.601 5.177 -4.276 13 HG23 ILE 2 3HG2 ILE 2 0.525 3.985 -3.610 14 HD11 ILE 2 3HD1 ILE 2 -3.402 4.653 -5.175 15 HD12 ILE 2 1HD1 ILE 2 -2.091 5.504 -6.035 16 HD13 ILE 2 2HD1 ILE 2 -3.348 4.657 -6.950 17 H VAL 3 H VAL 3 2.028 2.224 -4.460 18 HA VAL 3 HA VAL 3 2.770 2.484 -7.191 19 HB VAL 3 HB VAL 3 4.575 1.761 -4.837 20 HG11 VAL 3 1HG1 VAL 3 5.690 1.434 -7.010 21 HG12 VAL 3 2HG1 VAL 3 5.167 3.045 -7.551 22 HG13 VAL 3 3HG1 VAL 3 6.339 2.889 -6.220 23 HG21 VAL 3 3HG2 VAL 3 4.981 4.237 -4.705 24 HG22 VAL 3 1HG2 VAL 3 3.686 4.485 -5.896 25 HG23 VAL 3 2HG2 VAL 3 3.313 3.791 -4.300 26 H GLU 4 H GLU 4 2.927 -0.283 -4.925 27 HA GLU 4 HA GLU 4 4.259 -2.005 -6.811 28 HB2 GLU 4 1HB GLU 4 2.550 -2.617 -4.371 29 HB3 GLU 4 2HB GLU 4 3.424 -3.832 -5.304 30 HG2 GLU 4 1HG GLU 4 4.827 -3.371 -3.467 31 HG3 GLU 4 2HG GLU 4 5.553 -2.507 -4.828 32 HE2 GLU 4 HE2 GLU 4 5.728 0.079 -2.666 33 H GLN 5 H GLN 5 0.833 -1.368 -6.019 34 HA GLN 5 HA GLN 5 -0.314 -3.477 -7.525 35 HB2 GLN 5 1HB GLN 5 -1.299 -0.685 -6.865 36 HB3 GLN 5 2HB GLN 5 -2.304 -1.887 -7.680 37 HG2 GLN 5 1HG GLN 5 -2.495 -3.224 -5.796 38 HG3 GLN 5 2HG GLN 5 -0.978 -2.647 -5.095 39 HE21 GLN 5 2HE2 GLN 5 -3.927 -0.942 -6.256 40 HE22 GLN 5 1HE2 GLN 5 -4.183 -0.089 -4.749 41 H CYS 6 H CYS 6 0.778 -0.231 -8.572 42 HA CYS 6 HA CYS 6 -0.145 -0.779 -11.312 43 HB2 CYS 6 1HB CYS 6 1.494 1.496 -10.148 44 HB3 CYS 6 2HB CYS 6 0.868 1.425 -11.799 45 H CYS 7 H CYS 7 2.881 -0.985 -9.485 46 HA CYS 7 HA CYS 7 4.548 -0.949 -11.855 47 HB2 CYS 7 1HB CYS 7 5.248 -0.159 -9.594 48 HB3 CYS 7 2HB CYS 7 5.202 -1.828 -9.027 49 H THR 8 H THR 8 3.738 -3.538 -9.465 50 HA THR 8 HA THR 8 5.084 -5.474 -11.228 51 HB THR 8 HB THR 8 5.243 -5.359 -8.621 52 HG1 THR 8 HG1 THR 8 4.775 -7.786 -10.043 53 HG21 THR 8 1HG2 THR 8 2.729 -5.524 -8.265 54 HG22 THR 8 2HG2 THR 8 3.699 -6.716 -7.382 55 HG23 THR 8 3HG2 THR 8 2.829 -7.196 -8.852 56 H SER 9 H SER 9 1.894 -4.348 -10.594 57 HA SER 9 HA SER 9 0.863 -6.492 -12.380 58 HB2 SER 9 1HB SER 9 -0.530 -5.424 -9.853 59 HB3 SER 9 2HB SER 9 -1.221 -6.591 -11.000 60 HG SER 9 HG SER 9 -0.319 -7.686 -9.249 61 H ILE 10 H ILE 10 -1.835 -5.391 -12.431 62 HA ILE 10 HA ILE 10 -1.160 -2.806 -13.771 63 HB ILE 10 HB ILE 10 -3.191 -4.858 -14.721 64 HG12 ILE 10 1HG1 ILE 10 -0.378 -4.155 -15.635 65 HG13 ILE 10 2HG1 ILE 10 -0.915 -5.690 -14.954 66 HG21 ILE 10 1HG2 ILE 10 -2.122 -2.302 -16.034 67 HG22 ILE 10 2HG2 ILE 10 -3.360 -3.397 -16.693 68 HG23 ILE 10 3HG2 ILE 10 -3.713 -2.446 -15.250 69 HD11 ILE 10 3HD1 ILE 10 -1.525 -4.563 -17.647 70 HD12 ILE 10 1HD1 ILE 10 -0.611 -6.024 -17.235 71 HD13 ILE 10 2HD1 ILE 10 -2.373 -5.972 -16.961 72 H CYS 11 H CYS 11 -2.058 -1.172 -12.742 73 HA CYS 11 HA CYS 11 -4.519 -1.623 -11.154 74 HB2 CYS 11 1HB CYS 11 -4.023 0.570 -10.195 75 HB3 CYS 11 2HB CYS 11 -2.611 -0.484 -10.083 76 H SER 12 H SER 12 -6.352 -0.179 -11.483 77 HA SER 12 HA SER 12 -6.752 0.363 -14.342 78 HB2 SER 12 1HB SER 12 -9.079 0.757 -13.687 79 HB3 SER 12 2HB SER 12 -8.488 -0.759 -12.974 80 HG SER 12 HG SER 12 -9.455 0.286 -11.326 81 H LEU 13 H LEU 13 -7.882 2.440 -14.970 82 HA LEU 13 HA LEU 13 -6.271 4.674 -14.315 83 HB2 LEU 13 1HB LEU 13 -7.761 5.970 -15.650 84 HB3 LEU 13 2HB LEU 13 -7.545 4.399 -16.402 85 HG LEU 13 HG LEU 13 -9.848 3.936 -15.021 86 HD11 LEU 13 1HD1 LEU 13 -9.943 6.871 -15.865 87 HD12 LEU 13 2HD1 LEU 13 -10.005 6.268 -14.192 88 HD13 LEU 13 3HD1 LEU 13 -11.326 5.895 -15.315 89 HD21 LEU 13 3HD2 LEU 13 -9.428 3.482 -17.396 90 HD22 LEU 13 1HD2 LEU 13 -9.596 5.217 -17.769 91 HD23 LEU 13 2HD2 LEU 13 -10.992 4.290 -17.168 92 H TYR 14 H TYR 14 -9.199 3.460 -12.789 93 HA TYR 14 HA TYR 14 -9.893 5.875 -11.416 94 HB2 TYR 14 1HB TYR 14 -10.356 3.033 -10.468 95 HB3 TYR 14 2HB TYR 14 -11.311 4.470 -10.082 96 HD1 TYR 14 HD1 TYR 14 -12.522 5.648 -12.095 97 HD2 TYR 14 HD2 TYR 14 -10.921 1.659 -12.285 98 HE1 TYR 14 HE1 TYR 14 -13.956 5.164 -14.079 99 HE2 TYR 14 HE2 TYR 14 -12.347 1.190 -14.289 100 HH TYR 14 HH TYR 14 -14.591 3.609 -15.637 101 H GLN 15 H GLN 15 -7.738 3.142 -10.698 102 HA GLN 15 HA GLN 15 -7.102 4.014 -8.014 103 HB2 GLN 15 1HB GLN 15 -5.514 2.259 -9.920 104 HB3 GLN 15 2HB GLN 15 -5.241 2.441 -8.184 105 HG2 GLN 15 1HG GLN 15 -7.900 1.745 -8.273 106 HG3 GLN 15 2HG GLN 15 -7.238 0.829 -9.633 107 HE21 GLN 15 2HE2 GLN 15 -8.002 0.589 -6.499 108 HE22 GLN 15 1HE2 GLN 15 -6.805 -0.557 -5.963 109 H LEU 16 H LEU 16 -5.745 4.522 -11.271 110 HA LEU 16 HA LEU 16 -3.375 5.847 -10.464 111 HB2 LEU 16 1HB LEU 16 -5.019 5.975 -12.987 112 HB3 LEU 16 2HB LEU 16 -3.546 6.919 -12.790 113 HG LEU 16 HG LEU 16 -3.646 3.896 -12.513 114 HD11 LEU 16 1HD1 LEU 16 -2.784 5.563 -14.904 115 HD12 LEU 16 2HD1 LEU 16 -4.235 4.539 -14.809 116 HD13 LEU 16 3HD1 LEU 16 -2.632 3.797 -14.741 117 HD21 LEU 16 3HD2 LEU 16 -1.738 4.904 -11.373 118 HD22 LEU 16 1HD2 LEU 16 -1.343 5.867 -12.815 119 HD23 LEU 16 2HD2 LEU 16 -1.187 4.093 -12.845 120 H GLU 17 H GLU 17 -6.673 7.160 -10.872 121 HA GLU 17 HA GLU 17 -5.973 9.910 -10.786 122 HB2 GLU 17 1HB GLU 17 -8.408 8.434 -9.748 123 HB3 GLU 17 2HB GLU 17 -8.247 10.190 -9.677 124 HG2 GLU 17 1HG GLU 17 -7.889 10.190 -12.156 125 HG3 GLU 17 2HG GLU 17 -8.323 8.474 -12.160 126 HE2 GLU 17 HE2 GLU 17 -10.209 8.256 -10.656 127 H ASN 18 H ASN 18 -5.941 7.548 -8.165 128 HA ASN 18 HA ASN 18 -6.121 9.414 -6.003 129 HB2 ASN 18 1HB ASN 18 -4.783 6.698 -6.146 130 HB3 ASN 18 2HB ASN 18 -5.034 7.616 -4.658 131 HD21 ASN 18 2HD2 ASN 18 -6.150 5.060 -6.133 132 HD22 ASN 18 1HD2 ASN 18 -7.854 5.167 -5.749 133 H TYR 19 H TYR 19 -3.435 8.610 -8.130 134 HA TYR 19 HA TYR 19 -1.303 9.512 -6.384 135 HB2 TYR 19 1HB TYR 19 -1.629 9.298 -9.382 136 HB3 TYR 19 2HB TYR 19 -0.160 9.927 -8.672 137 HD1 TYR 19 HD1 TYR 19 -2.168 6.880 -9.203 138 HD2 TYR 19 HD2 TYR 19 1.434 8.486 -7.515 139 HE1 TYR 19 HE1 TYR 19 -1.220 4.588 -9.065 140 HE2 TYR 19 HE2 TYR 19 2.380 6.181 -7.368 141 HH TYR 19 HH TYR 19 2.059 3.972 -7.845 142 H CYS 20 H CYS 20 -3.688 11.089 -8.424 143 HA CYS 20 HA CYS 20 -2.271 13.668 -8.406 144 HB2 CYS 20 1HB CYS 20 -5.075 13.010 -9.370 145 HB3 CYS 20 2HB CYS 20 -4.068 14.391 -9.844 146 H ASN 21 H ASN 21 -2.564 12.961 -5.855 147 HA ASN 21 HA ASN 21 -5.097 13.728 -4.656 148 HB2 ASN 21 1HB ASN 21 -3.490 12.079 -3.615 149 HB3 ASN 21 2HB ASN 21 -2.377 13.415 -3.308 150 HD21 ASN 21 2HD2 ASN 21 -2.448 14.073 -1.269 151 HD22 ASN 21 1HD2 ASN 21 -3.897 14.187 -0.305 152 HXT ASN 21 H02 ASN 21 -5.100 15.518 -5.818 153 H1 PHE 1 3H0 PHE 1 -9.017 3.205 -21.888 154 H2 PHE 1 2H0 PHE 1 -8.335 2.536 -23.234 155 H3 PHE 1 1H0 PHE 1 -9.027 1.566 -22.094 156 HA PHE 1 HA PHE 1 -6.613 3.215 -21.723 157 HB2 PHE 1 1HB PHE 1 -8.192 2.919 -19.734 158 HB3 PHE 1 2HB PHE 1 -7.842 1.189 -19.818 159 HD1 PHE 1 HD1 PHE 1 -6.368 4.558 -19.203 160 HD2 PHE 1 HD2 PHE 1 -5.778 0.293 -18.941 161 HE1 PHE 1 HE1 PHE 1 -4.335 4.928 -17.816 162 HE2 PHE 1 HE2 PHE 1 -3.746 0.663 -17.550 163 HZ PHE 1 HZ PHE 1 -3.013 2.983 -17.002 164 H VAL 2 H VAL 2 -4.616 2.016 -21.783 165 HA VAL 2 HA VAL 2 -4.927 -0.691 -23.021 166 HB VAL 2 HB VAL 2 -2.561 1.247 -23.147 167 HG11 VAL 2 1HG1 VAL 2 -1.656 -0.344 -24.838 168 HG12 VAL 2 2HG1 VAL 2 -1.833 -1.111 -23.249 169 HG13 VAL 2 3HG1 VAL 2 -3.023 -1.438 -24.532 170 HG21 VAL 2 3HG2 VAL 2 -3.157 1.437 -25.571 171 HG22 VAL 2 1HG2 VAL 2 -4.633 0.493 -25.259 172 HG23 VAL 2 2HG2 VAL 2 -4.411 2.092 -24.507 173 H ASN 3 H ASN 3 -4.460 -2.336 -21.667 174 HA ASN 3 HA ASN 3 -3.327 -1.763 -19.061 175 HB2 ASN 3 1HB ASN 3 -3.971 -4.370 -20.483 176 HB3 ASN 3 2HB ASN 3 -3.277 -4.280 -18.860 177 HD21 ASN 3 2HD2 ASN 3 -5.777 -5.475 -19.483 178 HD22 ASN 3 1HD2 ASN 3 -7.021 -4.542 -18.685 179 H GLN 4 H GLN 4 -1.322 -1.771 -18.445 180 HA GLN 4 HA GLN 4 0.590 -3.679 -19.492 181 HB2 GLN 4 1HB GLN 4 2.282 -1.975 -20.104 182 HB3 GLN 4 2HB GLN 4 0.885 -1.893 -21.182 183 HG2 GLN 4 1HG GLN 4 0.010 0.029 -19.856 184 HG3 GLN 4 2HG GLN 4 1.476 -0.032 -18.868 185 HE21 GLN 4 2HE2 GLN 4 0.136 0.707 -22.009 186 HE22 GLN 4 1HE2 GLN 4 1.512 1.614 -22.588 187 H HIS 5 H HIS 5 2.320 -3.749 -17.943 188 HA HIS 5 HA HIS 5 1.688 -2.737 -15.286 189 HB2 HIS 5 1HB HIS 5 4.278 -3.870 -16.433 190 HB3 HIS 5 2HB HIS 5 3.998 -3.502 -14.729 191 HD1 HIS 5 HD1 HIS 5 1.407 -4.709 -14.024 192 HD2 HIS 5 HD2 HIS 5 3.976 -6.583 -16.659 193 HE1 HIS 5 HE1 HIS 5 0.734 -7.177 -14.120 194 HE2 HIS 5 HE2 HIS 5 2.350 -8.295 -15.695 195 H LEU 6 H LEU 6 2.444 -0.888 -14.284 196 HA LEU 6 HA LEU 6 3.845 1.066 -16.083 197 HB2 LEU 6 1HB LEU 6 1.470 1.423 -14.238 198 HB3 LEU 6 2HB LEU 6 2.366 2.765 -14.939 199 HG LEU 6 HG LEU 6 0.993 0.666 -16.623 200 HD11 LEU 6 1HD1 LEU 6 -0.061 3.313 -15.596 201 HD12 LEU 6 2HD1 LEU 6 -0.696 1.690 -15.245 202 HD13 LEU 6 3HD1 LEU 6 -0.817 2.350 -16.888 203 HD21 LEU 6 3HD2 LEU 6 2.668 1.885 -17.865 204 HD22 LEU 6 1HD2 LEU 6 2.094 3.438 -17.207 205 HD23 LEU 6 2HD2 LEU 6 1.081 2.518 -18.334 206 H CYS 7 H CYS 7 5.825 1.242 -15.210 207 HA CYS 7 HA CYS 7 5.945 2.124 -12.374 208 HB2 CYS 7 1HB CYS 7 6.530 -0.422 -12.975 209 HB3 CYS 7 2HB CYS 7 8.079 0.296 -13.428 210 H GLY 8 H GLY 8 7.915 3.390 -11.938 211 HA2 GLY 8 1HA GLY 8 9.504 4.964 -12.526 212 HA3 GLY 8 2HA GLY 8 9.820 3.976 -13.961 213 H SER 9 H SER 9 9.980 5.486 -15.532 214 HA SER 9 HA SER 9 8.409 7.839 -15.738 215 HB2 SER 9 1HB SER 9 9.220 7.826 -18.113 216 HB3 SER 9 2HB SER 9 10.509 7.596 -16.907 217 HG SER 9 HG SER 9 10.693 6.091 -18.604 218 H HIS 10 H HIS 10 7.687 4.516 -16.789 219 HA HIS 10 HA HIS 10 5.610 5.242 -18.651 220 HB2 HIS 10 1HB HIS 10 6.337 2.762 -17.126 221 HB3 HIS 10 2HB HIS 10 4.714 2.881 -17.801 222 HD1 HIS 10 HD1 HIS 10 4.507 1.797 -20.039 223 HD2 HIS 10 HD2 HIS 10 8.303 3.517 -19.436 224 HE1 HIS 10 HE1 HIS 10 5.861 1.367 -22.134 225 HE2 HIS 10 HE2 HIS 10 8.146 2.404 -21.768 226 H LEU 11 H LEU 11 5.658 4.777 -15.123 227 HA LEU 11 HA LEU 11 2.800 4.866 -14.815 228 HB2 LEU 11 1HB LEU 11 4.422 3.977 -13.154 229 HB3 LEU 11 2HB LEU 11 5.008 5.605 -12.866 230 HG LEU 11 HG LEU 11 2.949 6.249 -11.806 231 HD11 LEU 11 1HD1 LEU 11 1.918 3.489 -12.566 232 HD12 LEU 11 2HD1 LEU 11 1.288 5.062 -13.122 233 HD13 LEU 11 3HD1 LEU 11 1.124 4.596 -11.421 234 HD21 LEU 11 3HD2 LEU 11 3.047 4.766 -9.885 235 HD22 LEU 11 1HD2 LEU 11 4.683 4.963 -10.541 236 HD23 LEU 11 2HD2 LEU 11 3.771 3.468 -10.864 237 H VAL 12 H VAL 12 5.379 7.321 -14.778 238 HA VAL 12 HA VAL 12 3.723 9.543 -14.087 239 HB VAL 12 HB VAL 12 6.279 9.438 -15.771 240 HG11 VAL 12 1HG1 VAL 12 6.581 11.796 -15.164 241 HG12 VAL 12 2HG1 VAL 12 5.074 11.570 -16.073 242 HG13 VAL 12 3HG1 VAL 12 5.022 11.788 -14.310 243 HG21 VAL 12 3HG2 VAL 12 7.405 10.066 -13.629 244 HG22 VAL 12 1HG2 VAL 12 5.850 9.880 -12.785 245 HG23 VAL 12 2HG2 VAL 12 6.628 8.474 -13.544 246 H GLU 13 H GLU 13 4.613 8.109 -17.257 247 HA GLU 13 HA GLU 13 3.252 10.086 -18.837 248 HB2 GLU 13 1HB GLU 13 4.054 7.211 -19.361 249 HB3 GLU 13 2HB GLU 13 3.266 8.221 -20.579 250 HG2 GLU 13 1HG GLU 13 5.903 8.878 -19.226 251 HG3 GLU 13 2HG GLU 13 5.727 8.166 -20.834 252 HE2 GLU 13 HE2 GLU 13 6.264 10.755 -19.300 253 H ALA 14 H ALA 14 2.144 7.149 -17.198 254 HA ALA 14 HA ALA 14 -0.398 7.063 -18.576 255 HB1 ALA 14 3HB ALA 14 0.409 5.977 -15.851 256 HB2 ALA 14 1HB ALA 14 -1.048 5.532 -16.773 257 HB3 ALA 14 2HB ALA 14 0.563 5.124 -17.404 258 H LEU 15 H LEU 15 0.803 8.585 -15.579 259 HA LEU 15 HA LEU 15 -1.759 9.452 -14.657 260 HB2 LEU 15 1HB LEU 15 1.054 10.440 -14.156 261 HB3 LEU 15 2HB LEU 15 -0.357 11.133 -13.362 262 HG LEU 15 HG LEU 15 0.430 8.213 -13.130 263 HD11 LEU 15 1HD1 LEU 15 0.864 10.454 -11.135 264 HD12 LEU 15 2HD1 LEU 15 2.137 9.693 -12.121 265 HD13 LEU 15 3HD1 LEU 15 1.258 8.735 -10.913 266 HD21 LEU 15 3HD2 LEU 15 -1.545 9.923 -11.622 267 HD22 LEU 15 1HD2 LEU 15 -1.142 8.226 -11.271 268 HD23 LEU 15 2HD2 LEU 15 -1.940 8.642 -12.788 269 H TYR 16 H TYR 16 0.540 10.903 -16.939 270 HA TYR 16 HA TYR 16 -0.628 13.490 -17.134 271 HB2 TYR 16 1HB TYR 16 0.863 11.689 -19.032 272 HB3 TYR 16 2HB TYR 16 0.005 13.076 -19.694 273 HD1 TYR 16 HD2 TYR 16 0.541 15.417 -18.776 274 HD2 TYR 16 HD1 TYR 16 3.033 11.985 -18.065 275 HE1 TYR 16 HE2 TYR 16 2.461 16.915 -18.222 276 HE2 TYR 16 HE1 TYR 16 4.949 13.490 -17.528 277 HH TYR 16 HH TYR 16 5.671 15.650 -17.326 278 H LEU 17 H LEU 17 -1.512 10.400 -18.720 279 HA LEU 17 HA LEU 17 -3.610 11.604 -20.288 280 HB2 LEU 17 1HB LEU 17 -3.211 8.731 -19.416 281 HB3 LEU 17 2HB LEU 17 -4.338 9.291 -20.641 282 HG LEU 17 HG LEU 17 -1.318 9.553 -20.848 283 HD11 LEU 17 1HD1 LEU 17 -3.192 7.492 -22.079 284 HD12 LEU 17 2HD1 LEU 17 -2.022 7.192 -20.769 285 HD13 LEU 17 3HD1 LEU 17 -1.445 7.639 -22.389 286 HD21 LEU 17 3HD2 LEU 17 -2.499 11.188 -22.239 287 HD22 LEU 17 1HD2 LEU 17 -3.534 9.905 -22.912 288 HD23 LEU 17 2HD2 LEU 17 -1.789 9.926 -23.259 289 H VAL 18 H VAL 18 -3.593 9.809 -17.202 290 HA VAL 18 HA VAL 18 -6.467 9.584 -17.125 291 HB VAL 18 HB VAL 18 -4.349 9.228 -14.952 292 HG11 VAL 18 1HG1 VAL 18 -6.483 9.658 -13.873 293 HG12 VAL 18 2HG1 VAL 18 -7.305 8.494 -14.935 294 HG13 VAL 18 3HG1 VAL 18 -6.105 7.935 -13.744 295 HG21 VAL 18 3HG2 VAL 18 -4.142 7.664 -16.819 296 HG22 VAL 18 1HG2 VAL 18 -4.754 6.824 -15.390 297 HG23 VAL 18 2HG2 VAL 18 -5.865 7.255 -16.705 298 H CYS 19 H CYS 19 -4.150 11.781 -15.502 299 HA CYS 19 HA CYS 19 -6.474 13.168 -14.314 300 HB2 CYS 19 1HB CYS 19 -3.502 13.454 -13.878 301 HB3 CYS 19 2HB CYS 19 -4.727 14.501 -13.115 302 H GLY 20 H GLY 20 -4.548 13.360 -17.150 303 HA2 GLY 20 1HA GLY 20 -4.782 14.804 -18.908 304 HA3 GLY 20 2HA GLY 20 -6.265 15.373 -18.139 305 H GLU 21 H GLU 21 -6.026 17.447 -18.748 306 HA GLU 21 HA GLU 21 -3.653 19.004 -18.425 307 HB2 GLU 21 1HB GLU 21 -6.570 19.806 -18.687 308 HB3 GLU 21 2HB GLU 21 -5.209 20.926 -18.813 309 HG2 GLU 21 1HG GLU 21 -4.377 19.762 -20.787 310 HG3 GLU 21 2HG GLU 21 -5.653 18.543 -20.643 311 HE2 GLU 21 HE2 GLU 21 -6.479 22.114 -22.083 312 H ARG 22 H ARG 22 -5.694 17.838 -15.986 313 HA ARG 22 HA ARG 22 -5.698 20.165 -14.243 314 HB2 ARG 22 1HB ARG 22 -5.993 17.203 -13.644 315 HB3 ARG 22 2HB ARG 22 -6.250 18.497 -12.474 316 HG2 ARG 22 1HG ARG 22 -8.110 19.376 -13.769 317 HG3 ARG 22 2HG ARG 22 -7.847 18.168 -15.041 318 HD2 ARG 22 1HD ARG 22 -8.467 17.447 -12.158 319 HD3 ARG 22 2HD ARG 22 -9.711 17.658 -13.405 320 HE ARG 22 HE ARG 22 -7.760 15.842 -14.393 321 HH11 ARG 22 1HH1 ARG 22 -10.271 15.928 -11.899 322 HH12 ARG 22 2HH1 ARG 22 -10.562 14.210 -11.999 323 HH21 ARG 22 1HH2 ARG 22 -8.228 13.641 -14.474 324 HH22 ARG 22 2HH2 ARG 22 -9.427 12.949 -13.410 325 H GLY 23 H GLY 23 -3.375 17.742 -15.130 326 HA2 GLY 23 1HA GLY 23 -1.113 17.696 -14.547 327 HA3 GLY 23 2HA GLY 23 -1.400 18.959 -13.330 328 H PHE 24 H PHE 24 0.198 17.075 -12.457 329 HA PHE 24 HA PHE 24 -1.253 15.721 -10.347 330 HB2 PHE 24 1HB PHE 24 -0.714 13.450 -10.966 331 HB3 PHE 24 2HB PHE 24 -1.653 14.167 -12.278 332 HD1 PHE 24 HD1 PHE 24 -0.498 14.904 -14.377 333 HD2 PHE 24 HD2 PHE 24 1.493 12.661 -11.311 334 HE1 PHE 24 HE1 PHE 24 1.300 14.322 -15.971 335 HE2 PHE 24 HE2 PHE 24 3.278 12.037 -12.905 336 HZ PHE 24 HZ PHE 24 3.192 12.881 -15.256 337 H PHE 25 H PHE 25 0.493 14.220 -9.209 338 HA PHE 25 HA PHE 25 3.255 15.094 -9.817 339 HB2 PHE 25 1HB PHE 25 3.792 15.441 -7.481 340 HB3 PHE 25 2HB PHE 25 2.467 16.521 -7.921 341 HD1 PHE 25 HD1 PHE 25 0.199 16.169 -7.022 342 HD2 PHE 25 HD2 PHE 25 3.461 13.582 -5.929 343 HE1 PHE 25 HE1 PHE 25 -1.139 15.288 -5.124 344 HE2 PHE 25 HE2 PHE 25 2.121 12.683 -4.036 345 HZ PHE 25 HZ PHE 25 -0.183 13.537 -3.626 346 H TYR 26 H TYR 26 4.789 13.511 -8.714 347 HA TYR 26 HA TYR 26 3.543 10.920 -8.019 348 HB2 TYR 26 1HB TYR 26 3.858 10.673 -10.420 349 HB3 TYR 26 2HB TYR 26 5.494 11.342 -10.319 350 HD1 TYR 26 HD2 TYR 26 3.510 8.553 -8.698 351 HD2 TYR 26 HD1 TYR 26 7.260 9.808 -10.399 352 HE1 TYR 26 HE2 TYR 26 4.467 6.295 -8.275 353 HE2 TYR 26 HE1 TYR 26 8.193 7.530 -10.002 354 HH TYR 26 HH TYR 26 6.301 4.958 -8.404 355 H THR 27 H THR 27 4.832 9.765 -6.600 356 HA THR 27 HA THR 27 7.256 11.192 -5.635 357 HB THR 27 HB THR 27 6.826 9.608 -3.616 358 HG1 THR 27 HG1 THR 27 4.553 9.083 -3.496 359 HG21 THR 27 1HG2 THR 27 5.194 11.172 -2.660 360 HG22 THR 27 2HG2 THR 27 4.785 11.774 -4.283 361 HG23 THR 27 3HG2 THR 27 6.406 12.065 -3.603 362 HA PRO 28 HA PRO 28 8.976 7.437 -7.520 363 HB2 PRO 28 1HB PRO 28 11.475 8.354 -8.087 364 HB3 PRO 28 2HB PRO 28 10.064 8.777 -9.110 365 HG2 PRO 28 1HG PRO 28 11.330 10.361 -6.891 366 HG3 PRO 28 2HG PRO 28 10.927 10.882 -8.557 367 HD2 PRO 28 1HD PRO 28 9.298 11.393 -6.450 368 HD3 PRO 28 2HD PRO 28 8.642 11.015 -8.081 369 H LYS 29 H LYS 29 10.467 5.895 -6.692 370 HA LYS 29 HA LYS 29 11.262 6.368 -3.881 371 HB2 LYS 29 1HB LYS 29 11.531 3.912 -5.657 372 HB3 LYS 29 2HB LYS 29 11.926 3.983 -3.933 373 HG2 LYS 29 1HG LYS 29 9.509 4.584 -3.501 374 HG3 LYS 29 2HG LYS 29 9.182 4.238 -5.207 375 HD2 LYS 29 1HD LYS 29 10.376 2.241 -3.227 376 HD3 LYS 29 2HD LYS 29 8.664 2.334 -3.660 377 HE2 LYS 29 1HE LYS 29 9.355 0.648 -5.079 378 HE3 LYS 29 2HE LYS 29 9.551 2.055 -6.137 379 HZ1 LYS 29 3HZ LYS 29 11.481 0.589 -6.228 380 HZ2 LYS 29 1HZ LYS 29 11.731 0.727 -4.604 381 HZ3 LYS 29 2HZ LYS 29 11.931 2.039 -5.582 382 H THR 30 H THR 30 12.962 7.846 -4.064 383 HA THR 30 HA THR 30 15.177 7.310 -5.907 384 HB THR 30 HB THR 30 16.121 9.387 -4.651 385 HG1 THR 30 HG1 THR 30 14.428 10.502 -3.515 386 HG21 THR 30 1HG2 THR 30 14.599 10.923 -5.885 387 HG22 THR 30 2HG2 THR 30 13.384 9.648 -6.048 388 HG23 THR 30 3HG2 THR 30 14.937 9.515 -6.898 389 HXT THR 30 H02 THR 30 16.239 6.176 -2.375 Start of MODEL 8 1 H1 GLY 1 3H0 GLY 1 3.358 -0.693 -1.799 2 H2 GLY 1 2H0 GLY 1 3.172 -0.243 -0.224 3 H3 GLY 1 1H0 GLY 1 1.864 -0.729 -1.104 4 HA2 GLY 1 1HA GLY 1 1.856 1.668 -0.848 5 HA3 GLY 1 2HA GLY 1 3.461 1.708 -1.603 6 H ILE 2 H ILE 2 1.294 3.193 -2.724 7 HA ILE 2 HA ILE 2 -0.137 1.615 -4.611 8 HB ILE 2 HB ILE 2 -0.842 3.830 -3.708 9 HG12 ILE 2 1HG1 ILE 2 -0.820 3.626 -6.733 10 HG13 ILE 2 2HG1 ILE 2 -1.853 2.677 -5.667 11 HG21 ILE 2 1HG2 ILE 2 1.339 5.047 -3.989 12 HG22 ILE 2 2HG2 ILE 2 1.090 5.042 -5.750 13 HG23 ILE 2 3HG2 ILE 2 -0.030 5.920 -4.695 14 HD11 ILE 2 3HD1 ILE 2 -3.122 4.516 -6.563 15 HD12 ILE 2 1HD1 ILE 2 -2.870 4.802 -4.827 16 HD13 ILE 2 2HD1 ILE 2 -1.904 5.696 -6.032 17 H VAL 3 H VAL 3 2.974 3.383 -5.042 18 HA VAL 3 HA VAL 3 3.069 2.943 -7.872 19 HB VAL 3 HB VAL 3 4.578 4.579 -7.020 20 HG11 VAL 3 1HG1 VAL 3 4.787 3.860 -4.687 21 HG12 VAL 3 2HG1 VAL 3 5.771 2.455 -5.180 22 HG13 VAL 3 3HG1 VAL 3 6.389 4.108 -5.391 23 HG21 VAL 3 3HG2 VAL 3 6.363 2.197 -7.667 24 HG22 VAL 3 1HG2 VAL 3 5.455 3.119 -8.883 25 HG23 VAL 3 2HG2 VAL 3 6.712 3.925 -7.921 26 H GLU 4 H GLU 4 3.952 0.960 -5.092 27 HA GLU 4 HA GLU 4 5.238 -1.120 -6.563 28 HB2 GLU 4 1HB GLU 4 5.352 -0.784 -4.083 29 HB3 GLU 4 2HB GLU 4 3.661 -1.251 -3.980 30 HG2 GLU 4 1HG GLU 4 4.264 -3.491 -4.901 31 HG3 GLU 4 2HG GLU 4 5.967 -3.017 -4.774 32 HE2 GLU 4 HE2 GLU 4 5.361 -4.718 -1.796 33 H GLN 5 H GLN 5 1.843 -0.565 -5.580 34 HA GLN 5 HA GLN 5 0.773 -3.020 -6.485 35 HB2 GLN 5 1HB GLN 5 -0.345 -1.244 -5.088 36 HB3 GLN 5 2HB GLN 5 -0.507 -0.267 -6.545 37 HG2 GLN 5 1HG GLN 5 -1.894 -2.082 -7.556 38 HG3 GLN 5 2HG GLN 5 -1.831 -2.930 -5.999 39 HE21 GLN 5 2HE2 GLN 5 -4.269 -2.255 -6.998 40 HE22 GLN 5 1HE2 GLN 5 -4.953 -0.900 -6.125 41 H CYS 6 H CYS 6 1.250 0.089 -8.225 42 HA CYS 6 HA CYS 6 0.062 -0.934 -10.678 43 HB2 CYS 6 1HB CYS 6 1.712 1.515 -9.998 44 HB3 CYS 6 2HB CYS 6 1.216 1.142 -11.649 45 H CYS 7 H CYS 7 3.279 -0.991 -9.292 46 HA CYS 7 HA CYS 7 4.548 -1.480 -11.867 47 HB2 CYS 7 1HB CYS 7 5.668 -0.282 -10.022 48 HB3 CYS 7 2HB CYS 7 5.629 -1.755 -9.047 49 H THR 8 H THR 8 3.745 -3.462 -8.958 50 HA THR 8 HA THR 8 4.934 -5.818 -10.200 51 HB THR 8 HB THR 8 4.921 -5.317 -7.686 52 HG1 THR 8 HG1 THR 8 5.378 -7.396 -8.679 53 HG21 THR 8 1HG2 THR 8 2.190 -6.624 -7.747 54 HG22 THR 8 2HG2 THR 8 2.385 -4.861 -7.631 55 HG23 THR 8 3HG2 THR 8 3.046 -5.918 -6.366 56 H SER 9 H SER 9 1.725 -4.399 -10.105 57 HA SER 9 HA SER 9 0.839 -6.673 -11.782 58 HB2 SER 9 1HB SER 9 -0.668 -5.653 -9.311 59 HB3 SER 9 2HB SER 9 -1.308 -6.821 -10.489 60 HG SER 9 HG SER 9 1.123 -7.621 -9.671 61 H ILE 10 H ILE 10 -1.736 -5.984 -12.311 62 HA ILE 10 HA ILE 10 -1.210 -3.532 -13.872 63 HB ILE 10 HB ILE 10 -3.674 -5.341 -13.884 64 HG12 ILE 10 1HG1 ILE 10 -1.659 -6.642 -14.473 65 HG13 ILE 10 2HG1 ILE 10 -2.807 -6.495 -15.796 66 HG21 ILE 10 1HG2 ILE 10 -4.147 -3.146 -14.851 67 HG22 ILE 10 2HG2 ILE 10 -2.685 -3.229 -15.864 68 HG23 ILE 10 3HG2 ILE 10 -4.052 -4.335 -16.155 69 HD11 ILE 10 3HD1 ILE 10 -0.339 -4.753 -15.562 70 HD12 ILE 10 1HD1 ILE 10 -0.403 -6.280 -16.467 71 HD13 ILE 10 2HD1 ILE 10 -1.427 -4.920 -16.952 72 H CYS 11 H CYS 11 -2.148 -1.564 -13.434 73 HA CYS 11 HA CYS 11 -4.406 -1.559 -11.493 74 HB2 CYS 11 1HB CYS 11 -3.610 0.435 -10.462 75 HB3 CYS 11 2HB CYS 11 -2.286 -0.723 -10.441 76 H SER 12 H SER 12 -6.091 -0.211 -12.064 77 HA SER 12 HA SER 12 -6.166 0.405 -14.944 78 HB2 SER 12 1HB SER 12 -8.588 0.661 -14.528 79 HB3 SER 12 2HB SER 12 -7.983 -0.880 -13.883 80 HG SER 12 HG SER 12 -9.154 -0.048 -12.252 81 H LEU 13 H LEU 13 -7.529 2.449 -15.508 82 HA LEU 13 HA LEU 13 -6.094 4.740 -14.701 83 HB2 LEU 13 1HB LEU 13 -7.667 6.013 -15.939 84 HB3 LEU 13 2HB LEU 13 -7.391 4.504 -16.790 85 HG LEU 13 HG LEU 13 -9.644 3.875 -15.363 86 HD11 LEU 13 1HD1 LEU 13 -9.876 6.182 -14.492 87 HD12 LEU 13 2HD1 LEU 13 -11.203 5.776 -15.595 88 HD13 LEU 13 3HD1 LEU 13 -9.873 6.815 -16.155 89 HD21 LEU 13 3HD2 LEU 13 -9.247 3.476 -17.753 90 HD22 LEU 13 1HD2 LEU 13 -9.496 5.208 -18.093 91 HD23 LEU 13 2HD2 LEU 13 -10.840 4.210 -17.483 92 H TYR 14 H TYR 14 -8.927 3.241 -13.234 93 HA TYR 14 HA TYR 14 -9.726 5.534 -11.701 94 HB2 TYR 14 1HB TYR 14 -10.118 2.598 -11.044 95 HB3 TYR 14 2HB TYR 14 -11.094 3.960 -10.482 96 HD1 TYR 14 HD2 TYR 14 -12.376 5.330 -12.301 97 HD2 TYR 14 HD1 TYR 14 -10.654 1.459 -13.044 98 HE1 TYR 14 HE2 TYR 14 -13.819 5.071 -14.323 99 HE2 TYR 14 HE1 TYR 14 -12.094 1.213 -15.074 100 HH TYR 14 HH TYR 14 -14.412 3.728 -16.079 101 H GLN 15 H GLN 15 -7.456 2.877 -11.192 102 HA GLN 15 HA GLN 15 -6.912 3.511 -8.408 103 HB2 GLN 15 1HB GLN 15 -5.291 1.980 -10.475 104 HB3 GLN 15 2HB GLN 15 -4.983 1.982 -8.738 105 HG2 GLN 15 1HG GLN 15 -7.573 0.991 -10.007 106 HG3 GLN 15 2HG GLN 15 -6.196 -0.046 -9.617 107 HE21 GLN 15 2HE2 GLN 15 -9.118 1.051 -8.490 108 HE22 GLN 15 1HE2 GLN 15 -8.872 0.757 -6.788 109 H LEU 16 H LEU 16 -5.650 4.401 -11.582 110 HA LEU 16 HA LEU 16 -3.346 5.813 -10.662 111 HB2 LEU 16 1HB LEU 16 -4.966 5.998 -13.196 112 HB3 LEU 16 2HB LEU 16 -3.544 6.987 -12.907 113 HG LEU 16 HG LEU 16 -3.537 3.948 -12.880 114 HD11 LEU 16 1HD1 LEU 16 -4.045 4.790 -15.123 115 HD12 LEU 16 2HD1 LEU 16 -2.406 4.127 -15.060 116 HD13 LEU 16 3HD1 LEU 16 -2.649 5.889 -15.043 117 HD21 LEU 16 3HD2 LEU 16 -1.283 5.996 -12.875 118 HD22 LEU 16 1HD2 LEU 16 -1.077 4.237 -13.048 119 HD23 LEU 16 2HD2 LEU 16 -1.723 4.904 -11.545 120 H GLU 17 H GLU 17 -6.741 6.855 -10.991 121 HA GLU 17 HA GLU 17 -6.301 9.651 -10.793 122 HB2 GLU 17 1HB GLU 17 -8.565 7.919 -9.754 123 HB3 GLU 17 2HB GLU 17 -8.583 9.683 -9.689 124 HG2 GLU 17 1HG GLU 17 -8.384 9.778 -12.143 125 HG3 GLU 17 2HG GLU 17 -8.402 8.015 -12.203 126 HE2 GLU 17 HE2 GLU 17 -11.720 7.912 -12.265 127 H ASN 18 H ASN 18 -5.979 7.188 -8.314 128 HA ASN 18 HA ASN 18 -6.218 8.836 -6.004 129 HB2 ASN 18 1HB ASN 18 -4.570 6.342 -6.478 130 HB3 ASN 18 2HB ASN 18 -4.828 7.082 -4.896 131 HD21 ASN 18 2HD2 ASN 18 -5.624 4.451 -6.208 132 HD22 ASN 18 1HD2 ASN 18 -7.330 4.331 -5.843 133 H TYR 19 H TYR 19 -3.614 8.580 -8.337 134 HA TYR 19 HA TYR 19 -1.494 9.630 -6.620 135 HB2 TYR 19 1HB TYR 19 -1.881 9.365 -9.589 136 HB3 TYR 19 2HB TYR 19 -0.428 10.058 -8.907 137 HD1 TYR 19 HD1 TYR 19 -2.401 6.909 -9.145 138 HD2 TYR 19 HD2 TYR 19 1.322 8.717 -8.005 139 HE1 TYR 19 HE1 TYR 19 -1.366 4.672 -9.028 140 HE2 TYR 19 HE2 TYR 19 2.356 6.457 -7.863 141 HH TYR 19 HH TYR 19 0.490 3.481 -8.591 142 H CYS 20 H CYS 20 -4.300 11.066 -7.659 143 HA CYS 20 HA CYS 20 -3.010 13.762 -7.877 144 HB2 CYS 20 1HB CYS 20 -5.741 12.890 -8.882 145 HB3 CYS 20 2HB CYS 20 -4.992 14.476 -9.103 146 H ASN 21 H ASN 21 -3.921 15.398 -6.546 147 HA ASN 21 HA ASN 21 -6.217 14.738 -4.815 148 HB2 ASN 21 1HB ASN 21 -4.316 13.846 -3.474 149 HB3 ASN 21 2HB ASN 21 -3.484 15.400 -3.611 150 HD21 ASN 21 2HD2 ASN 21 -3.521 16.281 -1.645 151 HD22 ASN 21 1HD2 ASN 21 -4.968 16.504 -0.697 152 HXT ASN 21 H02 ASN 21 -6.805 17.989 -4.960 153 H1 PHE 1 3H0 PHE 1 -9.287 2.183 -22.067 154 H2 PHE 1 2H0 PHE 1 -8.542 1.412 -23.321 155 H3 PHE 1 1H0 PHE 1 -9.247 0.533 -22.119 156 HA PHE 1 HA PHE 1 -6.891 2.280 -21.827 157 HB2 PHE 1 1HB PHE 1 -8.565 2.078 -19.876 158 HB3 PHE 1 2HB PHE 1 -8.071 0.386 -19.766 159 HD1 PHE 1 HD1 PHE 1 -6.798 3.908 -19.610 160 HD2 PHE 1 HD2 PHE 1 -6.070 -0.220 -18.598 161 HE1 PHE 1 HE1 PHE 1 -4.858 4.598 -18.212 162 HE2 PHE 1 HE2 PHE 1 -4.132 0.468 -17.189 163 HZ PHE 1 HZ PHE 1 -3.516 2.881 -17.008 164 H VAL 2 H VAL 2 -4.869 1.070 -21.493 165 HA VAL 2 HA VAL 2 -5.049 -1.700 -22.625 166 HB VAL 2 HB VAL 2 -2.748 0.317 -22.812 167 HG11 VAL 2 1HG1 VAL 2 -1.732 -1.350 -24.365 168 HG12 VAL 2 2HG1 VAL 2 -1.918 -2.005 -22.727 169 HG13 VAL 2 3HG1 VAL 2 -3.060 -2.480 -24.010 170 HG21 VAL 2 3HG2 VAL 2 -4.576 0.992 -24.290 171 HG22 VAL 2 1HG2 VAL 2 -3.265 0.306 -25.265 172 HG23 VAL 2 2HG2 VAL 2 -4.719 -0.663 -24.930 173 H ASN 3 H ASN 3 -4.342 -3.291 -21.282 174 HA ASN 3 HA ASN 3 -3.477 -2.535 -18.607 175 HB2 ASN 3 1HB ASN 3 -3.684 -5.232 -20.000 176 HB3 ASN 3 2HB ASN 3 -3.174 -5.018 -18.320 177 HD21 ASN 3 2HD2 ASN 3 -5.482 -6.475 -19.322 178 HD22 ASN 3 1HD2 ASN 3 -6.886 -5.713 -18.618 179 H GLN 4 H GLN 4 -1.485 -2.215 -17.931 180 HA GLN 4 HA GLN 4 0.695 -3.883 -18.862 181 HB2 GLN 4 1HB GLN 4 2.147 -1.927 -19.475 182 HB3 GLN 4 2HB GLN 4 0.852 -2.226 -20.638 183 HG2 GLN 4 1HG GLN 4 -0.473 -0.404 -19.647 184 HG3 GLN 4 2HG GLN 4 0.823 -0.091 -18.492 185 HE21 GLN 4 2HE2 GLN 4 -0.423 0.566 -21.571 186 HE22 GLN 4 1HE2 GLN 4 0.928 1.494 -22.179 187 H HIS 5 H HIS 5 2.293 -3.860 -17.276 188 HA HIS 5 HA HIS 5 1.668 -2.648 -14.703 189 HB2 HIS 5 1HB HIS 5 4.295 -3.789 -15.739 190 HB3 HIS 5 2HB HIS 5 3.920 -3.394 -14.061 191 HD1 HIS 5 HD1 HIS 5 1.280 -4.683 -13.517 192 HD2 HIS 5 HD2 HIS 5 4.165 -6.500 -15.866 193 HE1 HIS 5 HE1 HIS 5 0.753 -7.196 -13.578 194 HE2 HIS 5 HE2 HIS 5 2.542 -8.268 -14.982 195 H LEU 6 H LEU 6 2.600 -0.833 -13.758 196 HA LEU 6 HA LEU 6 4.045 1.013 -15.635 197 HB2 LEU 6 1HB LEU 6 1.811 1.629 -13.679 198 HB3 LEU 6 2HB LEU 6 2.678 2.815 -14.633 199 HG LEU 6 HG LEU 6 0.943 0.637 -15.825 200 HD11 LEU 6 1HD1 LEU 6 -0.391 2.090 -14.400 201 HD12 LEU 6 2HD1 LEU 6 -0.739 2.414 -16.109 202 HD13 LEU 6 3HD1 LEU 6 0.295 3.532 -15.186 203 HD21 LEU 6 3HD2 LEU 6 2.145 3.172 -16.991 204 HD22 LEU 6 1HD2 LEU 6 0.945 2.157 -17.808 205 HD23 LEU 6 2HD2 LEU 6 2.545 1.491 -17.436 206 H CYS 7 H CYS 7 6.073 1.081 -14.736 207 HA CYS 7 HA CYS 7 6.240 1.295 -11.758 208 HB2 CYS 7 1HB CYS 7 8.350 0.430 -13.763 209 HB3 CYS 7 2HB CYS 7 8.532 0.449 -12.006 210 H GLY 8 H GLY 8 8.453 2.271 -14.412 211 HA2 GLY 8 1HA GLY 8 9.208 4.633 -12.831 212 HA3 GLY 8 2HA GLY 8 10.014 4.015 -14.277 213 H SER 9 H SER 9 9.882 5.278 -16.009 214 HA SER 9 HA SER 9 8.367 7.648 -16.120 215 HB2 SER 9 1HB SER 9 8.887 7.516 -18.605 216 HB3 SER 9 2HB SER 9 10.291 7.361 -17.524 217 HG SER 9 HG SER 9 10.206 5.767 -19.220 218 H HIS 10 H HIS 10 7.488 4.383 -17.160 219 HA HIS 10 HA HIS 10 5.235 5.035 -18.755 220 HB2 HIS 10 1HB HIS 10 6.009 2.661 -17.061 221 HB3 HIS 10 2HB HIS 10 4.378 2.767 -17.720 222 HD1 HIS 10 HD1 HIS 10 4.056 1.629 -19.916 223 HD2 HIS 10 HD2 HIS 10 7.979 3.053 -19.393 224 HE1 HIS 10 HE1 HIS 10 5.364 0.978 -21.986 225 HE2 HIS 10 HE2 HIS 10 7.726 1.842 -21.671 226 H LEU 11 H LEU 11 5.542 4.807 -15.197 227 HA LEU 11 HA LEU 11 2.698 4.921 -14.747 228 HB2 LEU 11 1HB LEU 11 4.389 4.041 -13.141 229 HB3 LEU 11 2HB LEU 11 5.020 5.664 -12.933 230 HG LEU 11 HG LEU 11 2.994 6.382 -11.814 231 HD11 LEU 11 1HD1 LEU 11 1.189 4.791 -11.269 232 HD12 LEU 11 2HD1 LEU 11 1.957 3.564 -12.300 233 HD13 LEU 11 3HD1 LEU 11 1.309 5.065 -13.014 234 HD21 LEU 11 3HD2 LEU 11 3.177 4.993 -9.817 235 HD22 LEU 11 1HD2 LEU 11 4.783 5.180 -10.535 236 HD23 LEU 11 2HD2 LEU 11 3.890 3.664 -10.761 237 H VAL 12 H VAL 12 5.321 7.335 -14.863 238 HA VAL 12 HA VAL 12 3.708 9.581 -14.143 239 HB VAL 12 HB VAL 12 6.189 9.486 -15.929 240 HG11 VAL 12 1HG1 VAL 12 4.983 11.625 -16.063 241 HG12 VAL 12 2HG1 VAL 12 5.031 11.763 -14.291 242 HG13 VAL 12 3HG1 VAL 12 6.539 11.811 -15.232 243 HG21 VAL 12 3HG2 VAL 12 6.651 8.414 -13.775 244 HG22 VAL 12 1HG2 VAL 12 7.452 9.994 -13.851 245 HG23 VAL 12 2HG2 VAL 12 5.954 9.806 -12.915 246 H GLU 13 H GLU 13 4.580 8.152 -17.313 247 HA GLU 13 HA GLU 13 3.265 10.121 -18.920 248 HB2 GLU 13 1HB GLU 13 3.951 7.201 -19.382 249 HB3 GLU 13 2HB GLU 13 3.263 8.237 -20.636 250 HG2 GLU 13 1HG GLU 13 5.187 9.668 -20.637 251 HG3 GLU 13 2HG GLU 13 5.843 8.897 -19.190 252 HE2 GLU 13 HE2 GLU 13 6.774 7.543 -22.649 253 H ALA 14 H ALA 14 2.119 7.175 -17.310 254 HA ALA 14 HA ALA 14 -0.426 7.127 -18.673 255 HB1 ALA 14 3HB ALA 14 0.563 5.159 -17.534 256 HB2 ALA 14 1HB ALA 14 0.373 5.982 -15.968 257 HB3 ALA 14 2HB ALA 14 -1.063 5.538 -16.920 258 H LEU 15 H LEU 15 0.789 8.579 -15.649 259 HA LEU 15 HA LEU 15 -1.776 9.435 -14.719 260 HB2 LEU 15 1HB LEU 15 1.051 10.344 -14.157 261 HB3 LEU 15 2HB LEU 15 -0.353 11.053 -13.360 262 HG LEU 15 HG LEU 15 0.300 8.102 -13.238 263 HD11 LEU 15 1HD1 LEU 15 0.831 10.208 -11.128 264 HD12 LEU 15 2HD1 LEU 15 2.075 9.468 -12.164 265 HD13 LEU 15 3HD1 LEU 15 1.163 8.467 -11.019 266 HD21 LEU 15 3HD2 LEU 15 -2.033 8.618 -12.900 267 HD22 LEU 15 1HD2 LEU 15 -1.605 9.870 -11.717 268 HD23 LEU 15 2HD2 LEU 15 -1.283 8.155 -11.375 269 H TYR 16 H TYR 16 0.561 10.935 -16.924 270 HA TYR 16 HA TYR 16 -0.634 13.526 -17.025 271 HB2 TYR 16 1HB TYR 16 0.961 11.854 -18.961 272 HB3 TYR 16 2HB TYR 16 0.137 13.297 -19.549 273 HD1 TYR 16 HD2 TYR 16 0.574 15.535 -18.275 274 HD2 TYR 16 HD1 TYR 16 3.122 12.080 -17.983 275 HE1 TYR 16 HE2 TYR 16 2.451 16.978 -17.482 276 HE2 TYR 16 HE1 TYR 16 5.002 13.543 -17.220 277 HH TYR 16 HH TYR 16 4.631 17.057 -16.790 278 H LEU 17 H LEU 17 -1.493 10.451 -18.633 279 HA LEU 17 HA LEU 17 -3.522 11.674 -20.290 280 HB2 LEU 17 1HB LEU 17 -3.252 8.812 -19.336 281 HB3 LEU 17 2HB LEU 17 -4.320 9.384 -20.600 282 HG LEU 17 HG LEU 17 -1.291 9.509 -20.747 283 HD11 LEU 17 1HD1 LEU 17 -2.098 7.182 -20.576 284 HD12 LEU 17 2HD1 LEU 17 -1.460 7.531 -22.196 285 HD13 LEU 17 3HD1 LEU 17 -3.219 7.469 -21.931 286 HD21 LEU 17 3HD2 LEU 17 -1.693 9.799 -23.177 287 HD22 LEU 17 1HD2 LEU 17 -2.386 11.126 -22.228 288 HD23 LEU 17 2HD2 LEU 17 -3.445 9.851 -22.874 289 H VAL 18 H VAL 18 -3.603 9.910 -17.180 290 HA VAL 18 HA VAL 18 -6.479 9.809 -17.130 291 HB VAL 18 HB VAL 18 -4.423 9.385 -14.908 292 HG11 VAL 18 1HG1 VAL 18 -6.246 8.133 -13.754 293 HG12 VAL 18 2HG1 VAL 18 -6.599 9.863 -13.898 294 HG13 VAL 18 3HG1 VAL 18 -7.397 8.704 -14.988 295 HG21 VAL 18 3HG2 VAL 18 -5.905 7.479 -16.759 296 HG22 VAL 18 1HG2 VAL 18 -4.163 7.810 -16.734 297 HG23 VAL 18 2HG2 VAL 18 -4.918 6.981 -15.370 298 H CYS 19 H CYS 19 -4.100 11.919 -15.470 299 HA CYS 19 HA CYS 19 -6.403 13.394 -14.335 300 HB2 CYS 19 1HB CYS 19 -3.649 12.985 -13.553 301 HB3 CYS 19 2HB CYS 19 -4.077 14.711 -13.548 302 H GLY 20 H GLY 20 -4.493 13.492 -17.160 303 HA2 GLY 20 1HA GLY 20 -4.497 15.045 -18.850 304 HA3 GLY 20 2HA GLY 20 -5.946 15.724 -18.101 305 H GLU 21 H GLU 21 -5.490 17.811 -18.496 306 HA GLU 21 HA GLU 21 -2.941 19.015 -18.013 307 HB2 GLU 21 1HB GLU 21 -5.712 20.188 -18.402 308 HB3 GLU 21 2HB GLU 21 -4.223 21.141 -18.370 309 HG2 GLU 21 1HG GLU 21 -3.376 19.892 -20.328 310 HG3 GLU 21 2HG GLU 21 -4.873 18.953 -20.379 311 HE2 GLU 21 HE2 GLU 21 -3.775 20.541 -22.247 312 H ARG 22 H ARG 22 -5.276 18.111 -15.630 313 HA ARG 22 HA ARG 22 -4.984 20.504 -14.024 314 HB2 ARG 22 1HB ARG 22 -6.485 19.587 -12.617 315 HB3 ARG 22 2HB ARG 22 -6.830 18.609 -14.043 316 HG2 ARG 22 1HG ARG 22 -5.193 16.888 -13.058 317 HG3 ARG 22 2HG ARG 22 -5.260 17.852 -11.570 318 HD2 ARG 22 1HD ARG 22 -6.887 16.243 -11.243 319 HD3 ARG 22 2HD ARG 22 -7.813 17.649 -11.819 320 HE ARG 22 HE ARG 22 -7.089 16.194 -14.092 321 HH11 ARG 22 1HH1 ARG 22 -9.042 15.541 -11.215 322 HH12 ARG 22 2HH1 ARG 22 -10.039 14.373 -12.042 323 HH21 ARG 22 1HH2 ARG 22 -8.397 14.700 -15.073 324 HH22 ARG 22 2HH2 ARG 22 -9.678 13.909 -14.194 325 H GLY 23 H GLY 23 -2.945 17.833 -14.616 326 HA2 GLY 23 1HA GLY 23 -0.770 17.578 -13.783 327 HA3 GLY 23 2HA GLY 23 -1.124 18.732 -12.486 328 H PHE 24 H PHE 24 0.245 16.624 -11.700 329 HA PHE 24 HA PHE 24 -1.508 15.153 -9.904 330 HB2 PHE 24 1HB PHE 24 -0.888 12.927 -10.724 331 HB3 PHE 24 2HB PHE 24 -1.785 13.805 -11.966 332 HD1 PHE 24 HD1 PHE 24 -0.717 14.575 -14.005 333 HD2 PHE 24 HD2 PHE 24 1.477 12.432 -11.012 334 HE1 PHE 24 HE1 PHE 24 1.118 14.193 -15.626 335 HE2 PHE 24 HE2 PHE 24 3.307 12.014 -12.622 336 HZ PHE 24 HZ PHE 24 3.135 12.908 -14.954 337 H PHE 25 H PHE 25 0.153 13.445 -8.780 338 HA PHE 25 HA PHE 25 2.898 14.608 -8.895 339 HB2 PHE 25 1HB PHE 25 3.114 14.285 -6.453 340 HB3 PHE 25 2HB PHE 25 1.916 15.513 -6.872 341 HD1 PHE 25 HD2 PHE 25 2.341 12.007 -5.666 342 HD2 PHE 25 HD1 PHE 25 -0.377 15.294 -6.246 343 HE1 PHE 25 HE2 PHE 25 0.633 10.832 -4.286 344 HE2 PHE 25 HE1 PHE 25 -2.082 14.126 -4.865 345 HZ PHE 25 HZ PHE 25 -1.593 11.891 -3.889 346 H TYR 26 H TYR 26 4.525 13.088 -8.119 347 HA TYR 26 HA TYR 26 3.773 10.272 -8.790 348 HB2 TYR 26 1HB TYR 26 5.537 11.396 -10.186 349 HB3 TYR 26 2HB TYR 26 6.501 11.629 -8.720 350 HD1 TYR 26 HD2 TYR 26 5.002 9.037 -10.961 351 HD2 TYR 26 HD1 TYR 26 7.847 9.834 -7.835 352 HE1 TYR 26 HE2 TYR 26 5.968 6.770 -11.254 353 HE2 TYR 26 HE1 TYR 26 8.782 7.538 -8.107 354 HH TYR 26 HH TYR 26 7.504 5.228 -10.544 355 H THR 27 H THR 27 4.630 8.647 -7.331 356 HA THR 27 HA THR 27 5.089 9.697 -4.578 357 HB THR 27 HB THR 27 4.486 7.370 -3.858 358 HG1 THR 27 HG1 THR 27 5.017 6.465 -5.980 359 HG21 THR 27 1HG2 THR 27 2.379 8.662 -5.644 360 HG22 THR 27 2HG2 THR 27 2.782 9.219 -4.000 361 HG23 THR 27 3HG2 THR 27 2.097 7.599 -4.253 362 HA PRO 28 HA PRO 28 9.194 8.145 -5.852 363 HB2 PRO 28 1HB PRO 28 10.748 9.840 -4.419 364 HB3 PRO 28 2HB PRO 28 9.872 10.403 -5.879 365 HG2 PRO 28 1HG PRO 28 9.056 10.607 -2.994 366 HG3 PRO 28 2HG PRO 28 9.183 11.908 -4.223 367 HD2 PRO 28 1HD PRO 28 6.827 10.708 -3.676 368 HD3 PRO 28 2HD PRO 28 7.268 11.198 -5.348 369 H LYS 29 H LYS 29 11.220 7.606 -4.368 370 HA LYS 29 HA LYS 29 10.215 6.401 -1.812 371 HB2 LYS 29 1HB LYS 29 12.384 5.358 -3.674 372 HB3 LYS 29 2HB LYS 29 11.913 4.640 -2.127 373 HG2 LYS 29 1HG LYS 29 9.602 4.289 -3.082 374 HG3 LYS 29 2HG LYS 29 10.227 4.818 -4.653 375 HD2 LYS 29 1HD LYS 29 11.288 2.457 -3.034 376 HD3 LYS 29 2HD LYS 29 10.170 2.328 -4.399 377 HE2 LYS 29 1HE LYS 29 13.021 3.414 -4.523 378 HE3 LYS 29 2HE LYS 29 12.498 1.815 -5.066 379 HZ1 LYS 29 3HZ LYS 29 11.110 2.889 -6.728 380 HZ2 LYS 29 1HZ LYS 29 12.679 3.368 -6.904 381 HZ3 LYS 29 2HZ LYS 29 11.579 4.387 -6.219 382 H THR 30 H THR 30 10.850 8.024 -0.428 383 HA THR 30 HA THR 30 13.437 9.345 -0.715 384 HB THR 30 HB THR 30 12.723 10.346 1.551 385 HG1 THR 30 HG1 THR 30 11.392 8.683 2.248 386 HG21 THR 30 1HG2 THR 30 10.631 10.524 -0.712 387 HG22 THR 30 2HG2 THR 30 12.140 11.462 -0.661 388 HG23 THR 30 3HG2 THR 30 10.897 11.706 0.576 389 HXT THR 30 H02 THR 30 14.444 7.527 -0.766 Start of MODEL 9 1 H1 GLY 1 3H0 GLY 1 5.665 1.710 0.195 2 H2 GLY 1 2H0 GLY 1 4.034 1.514 0.035 3 H3 GLY 1 1H0 GLY 1 5.059 0.820 -1.055 4 HA2 GLY 1 1HA GLY 1 4.681 3.716 -0.666 5 HA3 GLY 1 2HA GLY 1 5.783 2.970 -1.839 6 H ILE 2 H ILE 2 3.310 4.760 -2.155 7 HA ILE 2 HA ILE 2 1.135 3.169 -2.990 8 HB ILE 2 HB ILE 2 1.052 5.591 -2.341 9 HG12 ILE 2 1HG1 ILE 2 -0.166 4.988 -5.050 10 HG13 ILE 2 2HG1 ILE 2 -0.800 4.422 -3.511 11 HG21 ILE 2 1HG2 ILE 2 1.618 7.368 -3.907 12 HG22 ILE 2 2HG2 ILE 2 3.054 6.361 -3.681 13 HG23 ILE 2 3HG2 ILE 2 2.074 6.203 -5.158 14 HD11 ILE 2 3HD1 ILE 2 -2.101 6.331 -4.208 15 HD12 ILE 2 1HD1 ILE 2 -1.110 6.837 -2.822 16 HD13 ILE 2 2HD1 ILE 2 -0.644 7.309 -4.475 17 H VAL 3 H VAL 3 3.938 4.273 -4.853 18 HA VAL 3 HA VAL 3 2.933 3.823 -7.451 19 HB VAL 3 HB VAL 3 5.764 3.570 -6.329 20 HG11 VAL 3 1HG1 VAL 3 6.522 3.969 -8.683 21 HG12 VAL 3 2HG1 VAL 3 5.723 2.401 -8.469 22 HG13 VAL 3 3HG1 VAL 3 4.845 3.745 -9.228 23 HG21 VAL 3 3HG2 VAL 3 4.705 5.792 -6.041 24 HG22 VAL 3 1HG2 VAL 3 6.031 5.859 -7.219 25 HG23 VAL 3 2HG2 VAL 3 4.344 5.849 -7.782 26 H GLU 4 H GLU 4 4.117 1.504 -5.066 27 HA GLU 4 HA GLU 4 4.721 -0.630 -6.842 28 HB2 GLU 4 1HB GLU 4 3.800 -0.620 -3.956 29 HB3 GLU 4 2HB GLU 4 4.327 -2.073 -4.812 30 HG2 GLU 4 1HG GLU 4 6.541 -1.180 -5.121 31 HG3 GLU 4 2HG GLU 4 6.053 0.395 -4.475 32 HE2 GLU 4 HE2 GLU 4 6.882 -2.601 -2.063 33 H GLN 5 H GLN 5 1.655 0.479 -5.465 34 HA GLN 5 HA GLN 5 0.131 -1.870 -5.943 35 HB2 GLN 5 1HB GLN 5 -0.669 1.058 -5.886 36 HB3 GLN 5 2HB GLN 5 -1.808 -0.294 -5.852 37 HG2 GLN 5 1HG GLN 5 -0.960 -1.054 -3.721 38 HG3 GLN 5 2HG GLN 5 0.377 0.103 -3.776 39 HE21 GLN 5 2HE2 GLN 5 -3.195 0.004 -3.818 40 HE22 GLN 5 1HE2 GLN 5 -3.385 1.456 -2.863 41 H CYS 6 H CYS 6 1.223 0.638 -8.154 42 HA CYS 6 HA CYS 6 -0.512 -0.563 -10.292 43 HB2 CYS 6 1HB CYS 6 0.872 2.130 -10.110 44 HB3 CYS 6 2HB CYS 6 -0.003 1.544 -11.528 45 H CYS 7 H CYS 7 2.462 -0.945 -9.048 46 HA CYS 7 HA CYS 7 3.862 -1.054 -11.685 47 HB2 CYS 7 1HB CYS 7 4.855 0.428 -10.008 48 HB3 CYS 7 2HB CYS 7 4.930 -0.899 -8.853 49 H THR 8 H THR 8 3.574 -2.913 -8.569 50 HA THR 8 HA THR 8 4.952 -5.176 -9.799 51 HB THR 8 HB THR 8 5.056 -4.549 -7.308 52 HG1 THR 8 HG1 THR 8 4.394 -7.205 -8.109 53 HG21 THR 8 1HG2 THR 8 2.541 -4.405 -6.999 54 HG22 THR 8 2HG2 THR 8 3.390 -5.433 -5.830 55 HG23 THR 8 3HG2 THR 8 2.490 -6.173 -7.170 56 H SER 9 H SER 9 1.716 -4.061 -9.527 57 HA SER 9 HA SER 9 0.770 -6.347 -11.181 58 HB2 SER 9 1HB SER 9 -0.669 -5.240 -8.694 59 HB3 SER 9 2HB SER 9 -1.340 -6.417 -9.844 60 HG SER 9 HG SER 9 -0.481 -7.448 -8.000 61 H ILE 10 H ILE 10 -1.352 -5.461 -12.196 62 HA ILE 10 HA ILE 10 -0.837 -2.638 -12.868 63 HB ILE 10 HB ILE 10 -3.329 -3.738 -13.957 64 HG12 ILE 10 1HG1 ILE 10 -1.972 -5.900 -13.774 65 HG13 ILE 10 2HG1 ILE 10 -2.615 -5.469 -15.346 66 HG21 ILE 10 1HG2 ILE 10 -2.359 -1.749 -14.867 67 HG22 ILE 10 2HG2 ILE 10 -0.779 -2.539 -15.101 68 HG23 ILE 10 3HG2 ILE 10 -2.171 -3.000 -16.106 69 HD11 ILE 10 3HD1 ILE 10 -0.272 -6.383 -15.340 70 HD12 ILE 10 1HD1 ILE 10 -0.494 -4.846 -16.195 71 HD13 ILE 10 2HD1 ILE 10 0.241 -4.861 -14.575 72 H CYS 11 H CYS 11 -2.566 -1.063 -12.744 73 HA CYS 11 HA CYS 11 -4.752 -1.723 -10.841 74 HB2 CYS 11 1HB CYS 11 -4.438 0.339 -9.668 75 HB3 CYS 11 2HB CYS 11 -2.856 -0.445 -9.709 76 H SER 12 H SER 12 -6.618 -0.239 -11.291 77 HA SER 12 HA SER 12 -6.790 0.151 -14.204 78 HB2 SER 12 1HB SER 12 -9.155 0.507 -13.811 79 HB3 SER 12 2HB SER 12 -8.622 -0.903 -12.870 80 HG SER 12 HG SER 12 -9.624 0.193 -11.349 81 H LEU 13 H LEU 13 -7.945 2.177 -15.018 82 HA LEU 13 HA LEU 13 -6.409 4.480 -14.397 83 HB2 LEU 13 1HB LEU 13 -7.809 5.662 -15.895 84 HB3 LEU 13 2HB LEU 13 -7.624 4.036 -16.529 85 HG LEU 13 HG LEU 13 -9.975 3.747 -15.176 86 HD11 LEU 13 1HD1 LEU 13 -9.929 6.616 -16.218 87 HD12 LEU 13 2HD1 LEU 13 -10.088 6.118 -14.517 88 HD13 LEU 13 3HD1 LEU 13 -11.374 5.733 -15.673 89 HD21 LEU 13 3HD2 LEU 13 -9.540 3.099 -17.493 90 HD22 LEU 13 1HD2 LEU 13 -9.628 4.806 -18.000 91 HD23 LEU 13 2HD2 LEU 13 -11.072 3.987 -17.359 92 H TYR 14 H TYR 14 -9.367 3.239 -12.971 93 HA TYR 14 HA TYR 14 -10.222 5.679 -11.732 94 HB2 TYR 14 1HB TYR 14 -10.659 2.833 -10.785 95 HB3 TYR 14 2HB TYR 14 -11.670 4.239 -10.444 96 HD1 TYR 14 HD1 TYR 14 -12.583 5.468 -12.703 97 HD2 TYR 14 HD2 TYR 14 -11.335 1.356 -12.463 98 HE1 TYR 14 HE1 TYR 14 -13.896 4.939 -14.761 99 HE2 TYR 14 HE2 TYR 14 -12.640 0.842 -14.524 100 HH TYR 14 HH TYR 14 -14.047 1.651 -16.136 101 H GLN 15 H GLN 15 -8.004 3.082 -10.848 102 HA GLN 15 HA GLN 15 -7.534 3.997 -8.129 103 HB2 GLN 15 1HB GLN 15 -5.901 2.209 -9.924 104 HB3 GLN 15 2HB GLN 15 -5.685 2.452 -8.183 105 HG2 GLN 15 1HG GLN 15 -8.184 1.799 -8.016 106 HG3 GLN 15 2HG GLN 15 -7.959 1.130 -9.638 107 HE21 GLN 15 2HE2 GLN 15 -6.897 1.046 -6.313 108 HE22 GLN 15 1HE2 GLN 15 -6.218 -0.545 -6.393 109 H LEU 16 H LEU 16 -6.081 4.510 -11.337 110 HA LEU 16 HA LEU 16 -3.805 5.983 -10.456 111 HB2 LEU 16 1HB LEU 16 -5.289 5.984 -13.080 112 HB3 LEU 16 2HB LEU 16 -3.855 6.956 -12.796 113 HG LEU 16 HG LEU 16 -3.967 3.932 -12.612 114 HD11 LEU 16 1HD1 LEU 16 -2.830 5.724 -14.782 115 HD12 LEU 16 2HD1 LEU 16 -4.270 4.684 -14.912 116 HD13 LEU 16 3HD1 LEU 16 -2.671 3.954 -14.701 117 HD21 LEU 16 3HD2 LEU 16 -1.577 5.822 -12.574 118 HD22 LEU 16 1HD2 LEU 16 -1.507 4.047 -12.585 119 HD23 LEU 16 2HD2 LEU 16 -2.185 4.889 -11.187 120 H GLU 17 H GLU 17 -7.182 6.987 -10.939 121 HA GLU 17 HA GLU 17 -6.741 9.785 -10.979 122 HB2 GLU 17 1HB GLU 17 -9.036 8.141 -9.925 123 HB3 GLU 17 2HB GLU 17 -9.036 9.899 -9.850 124 HG2 GLU 17 1HG GLU 17 -8.640 8.415 -12.457 125 HG3 GLU 17 2HG GLU 17 -10.241 8.818 -11.823 126 HE2 GLU 17 HE2 GLU 17 -7.934 11.457 -13.542 127 H ASN 18 H ASN 18 -6.393 7.579 -8.275 128 HA ASN 18 HA ASN 18 -6.694 9.540 -6.183 129 HB2 ASN 18 1HB ASN 18 -5.137 6.934 -6.288 130 HB3 ASN 18 2HB ASN 18 -5.340 7.909 -4.827 131 HD21 ASN 18 2HD2 ASN 18 -6.500 5.315 -6.449 132 HD22 ASN 18 1HD2 ASN 18 -8.123 5.277 -5.787 133 H TYR 19 H TYR 19 -4.065 8.753 -8.370 134 HA TYR 19 HA TYR 19 -1.953 9.975 -6.784 135 HB2 TYR 19 1HB TYR 19 -2.203 9.242 -9.701 136 HB3 TYR 19 2HB TYR 19 -0.713 9.851 -8.999 137 HD1 TYR 19 HD1 TYR 19 -3.179 7.039 -8.815 138 HD2 TYR 19 HD2 TYR 19 0.791 8.372 -7.867 139 HE1 TYR 19 HE1 TYR 19 -2.566 4.731 -8.217 140 HE2 TYR 19 HE2 TYR 19 1.402 6.034 -7.255 141 HH TYR 19 HH TYR 19 0.553 3.820 -6.888 142 H CYS 20 H CYS 20 -4.501 11.064 -8.868 143 HA CYS 20 HA CYS 20 -3.169 13.449 -9.849 144 HB2 CYS 20 1HB CYS 20 -6.123 12.840 -9.869 145 HB3 CYS 20 2HB CYS 20 -5.223 13.897 -10.958 146 H ASN 21 H ASN 21 -2.939 13.603 -7.129 147 HA ASN 21 HA ASN 21 -5.089 15.055 -5.848 148 HB2 ASN 21 1HB ASN 21 -3.151 13.692 -4.766 149 HB3 ASN 21 2HB ASN 21 -2.161 15.136 -5.001 150 HD21 ASN 21 2HD2 ASN 21 -2.068 16.402 -3.252 151 HD22 ASN 21 1HD2 ASN 21 -3.347 16.587 -2.085 152 HXT ASN 21 H02 ASN 21 -3.932 16.163 -8.212 153 H1 PHE 1 3H0 PHE 1 -8.780 3.996 -21.950 154 H2 PHE 1 2H0 PHE 1 -8.430 2.837 -23.070 155 H3 PHE 1 1H0 PHE 1 -9.306 2.447 -21.729 156 HA PHE 1 HA PHE 1 -6.482 3.291 -21.764 157 HB2 PHE 1 1HB PHE 1 -7.950 3.995 -19.781 158 HB3 PHE 1 2HB PHE 1 -8.115 2.274 -19.414 159 HD1 PHE 1 HD1 PHE 1 -5.732 5.122 -19.632 160 HD2 PHE 1 HD2 PHE 1 -6.302 1.036 -18.375 161 HE1 PHE 1 HE1 PHE 1 -3.579 5.209 -18.390 162 HE2 PHE 1 HE2 PHE 1 -4.147 1.117 -17.132 163 HZ PHE 1 HZ PHE 1 -2.771 3.203 -17.155 164 H VAL 2 H VAL 2 -4.965 1.550 -21.388 165 HA VAL 2 HA VAL 2 -6.155 -1.185 -21.668 166 HB VAL 2 HB VAL 2 -3.615 -0.120 -23.017 167 HG11 VAL 2 1HG1 VAL 2 -4.927 -2.879 -23.129 168 HG12 VAL 2 2HG1 VAL 2 -3.549 -2.355 -24.123 169 HG13 VAL 2 3HG1 VAL 2 -3.369 -2.484 -22.364 170 HG21 VAL 2 3HG2 VAL 2 -4.849 -0.589 -25.153 171 HG22 VAL 2 1HG2 VAL 2 -6.316 -0.915 -24.201 172 HG23 VAL 2 2HG2 VAL 2 -5.586 0.709 -24.197 173 H ASN 3 H ASN 3 -5.475 -2.506 -20.041 174 HA ASN 3 HA ASN 3 -3.639 -1.468 -18.046 175 HB2 ASN 3 1HB ASN 3 -4.955 -4.179 -18.470 176 HB3 ASN 3 2HB ASN 3 -3.797 -3.871 -17.171 177 HD21 ASN 3 2HD2 ASN 3 -6.130 -4.691 -16.315 178 HD22 ASN 3 1HD2 ASN 3 -7.094 -3.385 -15.673 179 H GLN 4 H GLN 4 -1.515 -1.669 -17.986 180 HA GLN 4 HA GLN 4 -0.185 -4.043 -18.999 181 HB2 GLN 4 1HB GLN 4 1.428 -2.663 -20.390 182 HB3 GLN 4 2HB GLN 4 -0.174 -2.881 -21.101 183 HG2 GLN 4 1HG GLN 4 -0.820 -0.621 -20.324 184 HG3 GLN 4 2HG GLN 4 0.805 -0.393 -19.683 185 HE21 GLN 4 2HE2 GLN 4 -1.210 0.002 -22.328 186 HE22 GLN 4 1HE2 GLN 4 0.015 0.352 -23.526 187 H HIS 5 H HIS 5 1.808 -4.197 -17.971 188 HA HIS 5 HA HIS 5 2.069 -2.841 -15.455 189 HB2 HIS 5 1HB HIS 5 3.696 -4.755 -17.085 190 HB3 HIS 5 2HB HIS 5 4.550 -3.853 -15.853 191 HD1 HIS 5 HD1 HIS 5 3.288 -3.938 -13.314 192 HD2 HIS 5 HD2 HIS 5 2.672 -7.018 -16.043 193 HE1 HIS 5 HE1 HIS 5 2.405 -5.922 -12.025 194 HE2 HIS 5 HE2 HIS 5 2.085 -7.801 -13.659 195 H LEU 6 H LEU 6 2.504 -0.726 -15.250 196 HA LEU 6 HA LEU 6 4.751 0.391 -16.883 197 HB2 LEU 6 1HB LEU 6 2.235 1.799 -15.923 198 HB3 LEU 6 2HB LEU 6 3.583 2.576 -16.748 199 HG LEU 6 HG LEU 6 1.856 0.418 -17.986 200 HD11 LEU 6 1HD1 LEU 6 1.709 3.421 -18.315 201 HD12 LEU 6 2HD1 LEU 6 0.536 2.408 -17.434 202 HD13 LEU 6 3HD1 LEU 6 0.733 2.217 -19.189 203 HD21 LEU 6 3HD2 LEU 6 2.787 1.086 -20.102 204 HD22 LEU 6 1HD2 LEU 6 4.131 0.722 -19.012 205 HD23 LEU 6 2HD2 LEU 6 3.682 2.416 -19.350 206 H CYS 7 H CYS 7 6.270 1.510 -15.701 207 HA CYS 7 HA CYS 7 5.729 2.189 -12.893 208 HB2 CYS 7 1HB CYS 7 6.483 -0.314 -13.179 209 HB3 CYS 7 2HB CYS 7 8.075 0.379 -13.502 210 H GLY 8 H GLY 8 7.667 3.436 -12.032 211 HA2 GLY 8 1HA GLY 8 9.304 5.051 -12.339 212 HA3 GLY 8 2HA GLY 8 9.786 4.176 -13.802 213 H SER 9 H SER 9 10.064 5.862 -15.178 214 HA SER 9 HA SER 9 8.409 8.137 -15.436 215 HB2 SER 9 1HB SER 9 9.414 8.126 -17.812 216 HB3 SER 9 2HB SER 9 10.554 8.162 -16.446 217 HG SER 9 HG SER 9 11.153 6.596 -17.990 218 H HIS 10 H HIS 10 7.995 4.857 -16.740 219 HA HIS 10 HA HIS 10 6.071 5.686 -18.723 220 HB2 HIS 10 1HB HIS 10 6.804 3.032 -17.514 221 HB3 HIS 10 2HB HIS 10 5.464 3.207 -18.643 222 HD1 HIS 10 HD1 HIS 10 5.965 3.553 -21.138 223 HD2 HIS 10 HD2 HIS 10 9.385 3.586 -18.717 224 HE1 HIS 10 HE1 HIS 10 7.976 3.457 -22.697 225 HE2 HIS 10 HE2 HIS 10 10.030 3.473 -21.223 226 H LEU 11 H LEU 11 5.786 4.916 -15.275 227 HA LEU 11 HA LEU 11 2.877 4.700 -15.419 228 HB2 LEU 11 1HB LEU 11 4.282 3.745 -13.547 229 HB3 LEU 11 2HB LEU 11 4.600 5.397 -13.013 230 HG LEU 11 HG LEU 11 2.126 5.711 -12.699 231 HD11 LEU 11 1HD1 LEU 11 0.718 3.646 -12.574 232 HD12 LEU 11 2HD1 LEU 11 2.043 2.723 -13.312 233 HD13 LEU 11 3HD1 LEU 11 1.236 4.027 -14.220 234 HD21 LEU 11 3HD2 LEU 11 1.969 4.364 -10.650 235 HD22 LEU 11 1HD2 LEU 11 3.566 5.115 -10.811 236 HD23 LEU 11 2HD2 LEU 11 3.357 3.382 -11.179 237 H VAL 12 H VAL 12 5.304 7.216 -14.823 238 HA VAL 12 HA VAL 12 3.524 9.338 -14.138 239 HB VAL 12 HB VAL 12 6.250 9.369 -15.523 240 HG11 VAL 12 1HG1 VAL 12 5.046 11.476 -15.927 241 HG12 VAL 12 2HG1 VAL 12 4.806 11.660 -14.180 242 HG13 VAL 12 3HG1 VAL 12 6.444 11.699 -14.859 243 HG21 VAL 12 3HG2 VAL 12 5.459 9.766 -12.610 244 HG22 VAL 12 1HG2 VAL 12 6.298 8.351 -13.282 245 HG23 VAL 12 2HG2 VAL 12 7.104 9.929 -13.263 246 H GLU 13 H GLU 13 4.647 8.092 -17.303 247 HA GLU 13 HA GLU 13 3.438 10.134 -18.902 248 HB2 GLU 13 1HB GLU 13 4.130 7.232 -19.436 249 HB3 GLU 13 2HB GLU 13 3.447 8.286 -20.675 250 HG2 GLU 13 1HG GLU 13 5.353 9.786 -20.532 251 HG3 GLU 13 2HG GLU 13 6.033 8.853 -19.199 252 HE2 GLU 13 HE2 GLU 13 7.183 7.971 -22.648 253 H ALA 14 H ALA 14 2.161 7.158 -17.445 254 HA ALA 14 HA ALA 14 -0.339 7.260 -18.921 255 HB1 ALA 14 3HB ALA 14 0.547 5.176 -17.969 256 HB2 ALA 14 1HB ALA 14 0.402 5.848 -16.331 257 HB3 ALA 14 2HB ALA 14 -1.059 5.550 -17.301 258 H LEU 15 H LEU 15 0.857 8.428 -15.785 259 HA LEU 15 HA LEU 15 -1.681 9.205 -14.752 260 HB2 LEU 15 1HB LEU 15 1.155 10.090 -14.194 261 HB3 LEU 15 2HB LEU 15 -0.220 10.839 -13.391 262 HG LEU 15 HG LEU 15 0.403 7.876 -13.243 263 HD11 LEU 15 1HD1 LEU 15 2.144 9.259 -12.135 264 HD12 LEU 15 2HD1 LEU 15 1.201 8.275 -10.996 265 HD13 LEU 15 3HD1 LEU 15 0.872 10.015 -11.148 266 HD21 LEU 15 3HD2 LEU 15 -1.206 7.971 -11.361 267 HD22 LEU 15 1HD2 LEU 15 -1.938 8.324 -12.929 268 HD23 LEU 15 2HD2 LEU 15 -1.571 9.655 -11.812 269 H TYR 16 H TYR 16 0.598 10.909 -16.915 270 HA TYR 16 HA TYR 16 -0.686 13.454 -16.786 271 HB2 TYR 16 1HB TYR 16 0.853 12.014 -18.950 272 HB3 TYR 16 2HB TYR 16 0.053 13.550 -19.287 273 HD1 TYR 16 HD1 TYR 16 0.558 15.532 -17.613 274 HD2 TYR 16 HD2 TYR 16 3.074 12.078 -18.106 275 HE1 TYR 16 HE1 TYR 16 2.488 16.792 -16.655 276 HE2 TYR 16 HE2 TYR 16 5.005 13.361 -17.182 277 HH TYR 16 HH TYR 16 5.729 15.345 -16.312 278 H LEU 17 H LEU 17 -1.518 10.533 -18.667 279 HA LEU 17 HA LEU 17 -3.596 11.861 -20.168 280 HB2 LEU 17 1HB LEU 17 -3.253 8.926 -19.494 281 HB3 LEU 17 2HB LEU 17 -4.326 9.594 -20.712 282 HG LEU 17 HG LEU 17 -1.295 9.804 -20.801 283 HD11 LEU 17 1HD1 LEU 17 -3.160 7.866 -22.227 284 HD12 LEU 17 2HD1 LEU 17 -2.045 7.458 -20.897 285 HD13 LEU 17 3HD1 LEU 17 -1.401 7.997 -22.463 286 HD21 LEU 17 3HD2 LEU 17 -1.674 10.346 -23.195 287 HD22 LEU 17 1HD2 LEU 17 -2.404 11.549 -22.119 288 HD23 LEU 17 2HD2 LEU 17 -3.430 10.332 -22.912 289 H VAL 18 H VAL 18 -3.590 9.865 -17.207 290 HA VAL 18 HA VAL 18 -6.491 9.750 -17.111 291 HB VAL 18 HB VAL 18 -4.364 9.024 -15.034 292 HG11 VAL 18 1HG1 VAL 18 -7.368 8.627 -15.077 293 HG12 VAL 18 2HG1 VAL 18 -6.300 7.531 -14.179 294 HG13 VAL 18 3HG1 VAL 18 -6.324 9.244 -13.774 295 HG21 VAL 18 3HG2 VAL 18 -4.169 7.697 -17.070 296 HG22 VAL 18 1HG2 VAL 18 -4.857 6.696 -15.784 297 HG23 VAL 18 2HG2 VAL 18 -5.910 7.350 -17.057 298 H CYS 19 H CYS 19 -3.980 11.676 -15.498 299 HA CYS 19 HA CYS 19 -5.963 13.015 -13.810 300 HB2 CYS 19 1HB CYS 19 -3.066 13.726 -14.357 301 HB3 CYS 19 2HB CYS 19 -4.065 14.320 -13.025 302 H GLY 20 H GLY 20 -4.597 13.467 -17.012 303 HA2 GLY 20 1HA GLY 20 -4.950 15.160 -18.535 304 HA3 GLY 20 2HA GLY 20 -6.329 15.684 -17.544 305 H GLU 21 H GLU 21 -5.946 17.854 -17.677 306 HA GLU 21 HA GLU 21 -3.353 19.022 -17.287 307 HB2 GLU 21 1HB GLU 21 -6.134 20.248 -17.156 308 HB3 GLU 21 2HB GLU 21 -4.623 21.153 -17.219 309 HG2 GLU 21 1HG GLU 21 -5.315 21.226 -19.432 310 HG3 GLU 21 2HG GLU 21 -4.174 19.874 -19.448 311 HE2 GLU 21 HE2 GLU 21 -5.482 19.729 -21.319 312 H ARG 22 H ARG 22 -5.470 17.764 -14.858 313 HA ARG 22 HA ARG 22 -5.114 19.935 -12.992 314 HB2 ARG 22 1HB ARG 22 -6.513 18.827 -11.630 315 HB3 ARG 22 2HB ARG 22 -6.906 18.002 -13.137 316 HG2 ARG 22 1HG ARG 22 -5.190 16.225 -12.419 317 HG3 ARG 22 2HG ARG 22 -5.207 17.024 -10.831 318 HD2 ARG 22 1HD ARG 22 -6.807 15.381 -10.586 319 HD3 ARG 22 2HD ARG 22 -7.779 16.801 -11.018 320 HE ARG 22 HE ARG 22 -7.178 15.628 -13.443 321 HH11 ARG 22 1HH1 ARG 22 -8.741 14.409 -10.505 322 HH12 ARG 22 2HH1 ARG 22 -9.690 13.240 -11.394 323 HH21 ARG 22 1HH2 ARG 22 -8.447 14.129 -14.485 324 HH22 ARG 22 2HH2 ARG 22 -9.537 13.095 -13.586 325 H GLY 23 H GLY 23 -2.994 17.399 -13.912 326 HA2 GLY 23 1HA GLY 23 -0.791 17.136 -13.174 327 HA3 GLY 23 2HA GLY 23 -1.107 18.256 -11.840 328 H PHE 24 H PHE 24 0.373 16.248 -11.090 329 HA PHE 24 HA PHE 24 -1.259 14.644 -9.301 330 HB2 PHE 24 1HB PHE 24 -0.540 12.460 -10.221 331 HB3 PHE 24 2HB PHE 24 -1.577 13.352 -11.323 332 HD1 PHE 24 HD2 PHE 24 1.863 12.228 -10.696 333 HD2 PHE 24 HD1 PHE 24 -0.816 14.131 -13.454 334 HE1 PHE 24 HE2 PHE 24 3.533 11.969 -12.466 335 HE2 PHE 24 HE1 PHE 24 0.864 13.889 -15.252 336 HZ PHE 24 HZ PHE 24 3.050 12.811 -14.786 337 H PHE 25 H PHE 25 0.400 12.809 -8.417 338 HA PHE 25 HA PHE 25 3.094 14.064 -8.176 339 HB2 PHE 25 1HB PHE 25 3.178 13.622 -5.822 340 HB3 PHE 25 2HB PHE 25 1.711 14.555 -6.138 341 HD1 PHE 25 HD2 PHE 25 -0.521 13.478 -5.956 342 HD2 PHE 25 HD1 PHE 25 3.087 11.323 -5.043 343 HE1 PHE 25 HE2 PHE 25 -1.870 11.711 -4.824 344 HE2 PHE 25 HE1 PHE 25 1.753 9.562 -3.900 345 HZ PHE 25 HZ PHE 25 -0.733 9.749 -3.795 346 H TYR 26 H TYR 26 4.746 12.507 -7.441 347 HA TYR 26 HA TYR 26 4.119 9.638 -7.880 348 HB2 TYR 26 1HB TYR 26 4.708 10.518 -10.117 349 HB3 TYR 26 2HB TYR 26 6.198 11.208 -9.455 350 HD1 TYR 26 HD1 TYR 26 4.402 8.008 -10.138 351 HD2 TYR 26 HD2 TYR 26 8.155 9.847 -9.116 352 HE1 TYR 26 HE1 TYR 26 5.567 5.845 -10.480 353 HE2 TYR 26 HE2 TYR 26 9.310 7.671 -9.466 354 HH TYR 26 HH TYR 26 9.090 5.474 -9.968 355 H THR 27 H THR 27 5.540 8.351 -6.647 356 HA THR 27 HA THR 27 7.517 9.891 -5.022 357 HB THR 27 HB THR 27 7.196 8.217 -3.235 358 HG1 THR 27 HG1 THR 27 6.471 6.563 -4.766 359 HG21 THR 27 1HG2 THR 27 4.996 8.922 -2.506 360 HG22 THR 27 2HG2 THR 27 4.513 9.321 -4.167 361 HG23 THR 27 3HG2 THR 27 5.760 10.290 -3.341 362 HA PRO 28 HA PRO 28 10.084 6.958 -7.335 363 HB2 PRO 28 1HB PRO 28 12.461 8.276 -7.153 364 HB3 PRO 28 2HB PRO 28 11.173 8.802 -8.285 365 HG2 PRO 28 1HG PRO 28 11.804 9.837 -5.535 366 HG3 PRO 28 2HG PRO 28 11.586 10.753 -7.057 367 HD2 PRO 28 1HD PRO 28 9.592 10.468 -5.250 368 HD3 PRO 28 2HD PRO 28 9.264 10.484 -7.018 369 H LYS 29 H LYS 29 11.933 5.570 -6.704 370 HA LYS 29 HA LYS 29 11.958 5.111 -3.782 371 HB2 LYS 29 1HB LYS 29 13.298 3.582 -6.054 372 HB3 LYS 29 2HB LYS 29 13.300 3.116 -4.349 373 HG2 LYS 29 1HG LYS 29 10.730 3.085 -4.545 374 HG3 LYS 29 2HG LYS 29 10.997 3.105 -6.298 375 HD2 LYS 29 1HD LYS 29 12.108 1.023 -4.345 376 HD3 LYS 29 2HD LYS 29 10.708 0.799 -5.401 377 HE2 LYS 29 1HE LYS 29 12.287 -0.220 -6.714 378 HE3 LYS 29 2HE LYS 29 12.477 1.435 -7.313 379 HZ1 LYS 29 3HZ LYS 29 14.619 0.405 -6.813 380 HZ2 LYS 29 1HZ LYS 29 14.186 0.141 -5.245 381 HZ3 LYS 29 2HZ LYS 29 14.378 1.682 -5.798 382 H THR 30 H THR 30 13.109 7.031 -3.172 383 HA THR 30 HA THR 30 15.790 7.499 -4.211 384 HB THR 30 HB THR 30 15.852 9.143 -2.229 385 HG1 THR 30 HG1 THR 30 14.339 7.982 -0.931 386 HG21 THR 30 1HG2 THR 30 15.015 9.824 -4.535 387 HG22 THR 30 2HG2 THR 30 14.179 10.674 -3.225 388 HG23 THR 30 3HG2 THR 30 13.376 9.334 -4.050 389 HXT THR 30 H02 THR 30 17.736 5.959 -1.982 Start of MODEL 10 1 H1 GLY 1 3H0 GLY 1 2.525 -0.651 -0.023 2 H2 GLY 1 2H0 GLY 1 1.220 -0.981 -0.976 3 H3 GLY 1 1H0 GLY 1 2.747 -1.150 -1.579 4 HA2 GLY 1 1HA GLY 1 1.524 1.404 -0.735 5 HA3 GLY 1 2HA GLY 1 3.149 1.209 -1.419 6 H ILE 2 H ILE 2 0.899 2.847 -2.499 7 HA ILE 2 HA ILE 2 -0.453 1.417 -4.536 8 HB ILE 2 HB ILE 2 -1.098 3.655 -3.556 9 HG12 ILE 2 1HG1 ILE 2 -1.024 3.532 -6.589 10 HG13 ILE 2 2HG1 ILE 2 -2.123 2.601 -5.574 11 HG21 ILE 2 1HG2 ILE 2 0.908 4.825 -5.553 12 HG22 ILE 2 2HG2 ILE 2 -0.178 5.728 -4.481 13 HG23 ILE 2 3HG2 ILE 2 1.147 4.780 -3.790 14 HD11 ILE 2 3HD1 ILE 2 -3.306 4.533 -6.437 15 HD12 ILE 2 1HD1 ILE 2 -3.071 4.764 -4.689 16 HD13 ILE 2 2HD1 ILE 2 -2.045 5.641 -5.857 17 H VAL 3 H VAL 3 2.772 2.909 -4.619 18 HA VAL 3 HA VAL 3 3.021 2.830 -7.470 19 HB VAL 3 HB VAL 3 5.242 2.597 -5.387 20 HG11 VAL 3 1HG1 VAL 3 5.982 1.985 -7.675 21 HG12 VAL 3 2HG1 VAL 3 5.287 3.491 -8.313 22 HG13 VAL 3 3HG1 VAL 3 6.668 3.553 -7.196 23 HG21 VAL 3 3HG2 VAL 3 3.941 5.048 -6.666 24 HG22 VAL 3 1HG2 VAL 3 3.939 4.614 -4.941 25 HG23 VAL 3 2HG2 VAL 3 5.456 5.090 -5.730 26 H GLU 4 H GLU 4 3.757 0.456 -4.897 27 HA GLU 4 HA GLU 4 4.913 -1.530 -6.624 28 HB2 GLU 4 1HB GLU 4 3.490 -1.654 -3.959 29 HB3 GLU 4 2HB GLU 4 4.068 -3.108 -4.764 30 HG2 GLU 4 1HG GLU 4 6.315 -2.508 -4.541 31 HG3 GLU 4 2HG GLU 4 5.930 -0.810 -4.210 32 HE2 GLU 4 HE2 GLU 4 7.364 -2.819 -2.844 33 H GLN 5 H GLN 5 1.603 -0.757 -5.609 34 HA GLN 5 HA GLN 5 0.307 -3.061 -6.573 35 HB2 GLN 5 1HB GLN 5 -0.497 -1.137 -5.107 36 HB3 GLN 5 2HB GLN 5 -0.801 -0.238 -6.589 37 HG2 GLN 5 1HG GLN 5 -2.458 -1.839 -7.289 38 HG3 GLN 5 2HG GLN 5 -2.055 -2.903 -5.928 39 HE21 GLN 5 2HE2 GLN 5 -4.463 -1.099 -6.861 40 HE22 GLN 5 1HE2 GLN 5 -4.935 -0.342 -5.350 41 H CYS 6 H CYS 6 1.083 0.022 -8.249 42 HA CYS 6 HA CYS 6 -0.052 -0.918 -10.775 43 HB2 CYS 6 1HB CYS 6 1.715 1.435 -10.021 44 HB3 CYS 6 2HB CYS 6 1.162 1.118 -11.667 45 H CYS 7 H CYS 7 3.085 -1.125 -9.205 46 HA CYS 7 HA CYS 7 4.527 -1.502 -11.691 47 HB2 CYS 7 1HB CYS 7 5.160 -1.376 -8.818 48 HB3 CYS 7 2HB CYS 7 6.168 -2.497 -9.733 49 H THR 8 H THR 8 3.588 -3.719 -8.999 50 HA THR 8 HA THR 8 4.787 -5.942 -10.508 51 HB THR 8 HB THR 8 5.002 -5.621 -7.970 52 HG1 THR 8 HG1 THR 8 4.497 -8.038 -7.753 53 HG21 THR 8 1HG2 THR 8 2.308 -7.014 -7.893 54 HG22 THR 8 2HG2 THR 8 2.495 -5.270 -7.604 55 HG23 THR 8 3HG2 THR 8 3.293 -6.433 -6.529 56 H SER 9 H SER 9 1.626 -4.563 -9.999 57 HA SER 9 HA SER 9 0.559 -6.756 -11.696 58 HB2 SER 9 1HB SER 9 -0.829 -5.573 -9.220 59 HB3 SER 9 2HB SER 9 -1.533 -6.775 -10.323 60 HG SER 9 HG SER 9 -0.645 -7.781 -8.495 61 H ILE 10 H ILE 10 -1.950 -5.945 -12.177 62 HA ILE 10 HA ILE 10 -1.381 -3.492 -13.726 63 HB ILE 10 HB ILE 10 -3.876 -5.266 -13.716 64 HG12 ILE 10 1HG1 ILE 10 -1.883 -6.566 -14.397 65 HG13 ILE 10 2HG1 ILE 10 -3.069 -6.381 -15.681 66 HG21 ILE 10 1HG2 ILE 10 -2.925 -3.117 -15.676 67 HG22 ILE 10 2HG2 ILE 10 -4.318 -4.198 -15.941 68 HG23 ILE 10 3HG2 ILE 10 -4.346 -3.038 -14.609 69 HD11 ILE 10 3HD1 ILE 10 -1.703 -4.781 -16.845 70 HD12 ILE 10 1HD1 ILE 10 -0.568 -4.667 -15.485 71 HD13 ILE 10 2HD1 ILE 10 -0.683 -6.168 -16.428 72 H CYS 11 H CYS 11 -2.203 -1.518 -13.171 73 HA CYS 11 HA CYS 11 -4.442 -1.498 -11.199 74 HB2 CYS 11 1HB CYS 11 -3.625 0.524 -10.251 75 HB3 CYS 11 2HB CYS 11 -2.289 -0.619 -10.255 76 H SER 12 H SER 12 -6.205 -0.333 -11.841 77 HA SER 12 HA SER 12 -6.318 0.236 -14.713 78 HB2 SER 12 1HB SER 12 -8.716 0.509 -14.316 79 HB3 SER 12 2HB SER 12 -8.137 -0.966 -13.514 80 HG SER 12 HG SER 12 -9.327 0.056 -12.000 81 H LEU 13 H LEU 13 -7.645 2.278 -15.353 82 HA LEU 13 HA LEU 13 -6.151 4.573 -14.651 83 HB2 LEU 13 1HB LEU 13 -7.688 5.821 -15.956 84 HB3 LEU 13 2HB LEU 13 -7.457 4.266 -16.735 85 HG LEU 13 HG LEU 13 -9.726 3.768 -15.280 86 HD11 LEU 13 1HD1 LEU 13 -9.910 6.103 -14.507 87 HD12 LEU 13 2HD1 LEU 13 -11.232 5.705 -15.617 88 HD13 LEU 13 3HD1 LEU 13 -9.860 6.678 -16.192 89 HD21 LEU 13 3HD2 LEU 13 -10.917 4.064 -17.415 90 HD22 LEU 13 1HD2 LEU 13 -9.360 3.243 -17.639 91 HD23 LEU 13 2HD2 LEU 13 -9.528 4.965 -18.067 92 H TYR 14 H TYR 14 -9.037 3.191 -13.160 93 HA TYR 14 HA TYR 14 -9.792 5.525 -11.682 94 HB2 TYR 14 1HB TYR 14 -10.186 2.617 -10.922 95 HB3 TYR 14 2HB TYR 14 -11.151 4.001 -10.392 96 HD1 TYR 14 HD1 TYR 14 -12.250 5.408 -12.418 97 HD2 TYR 14 HD2 TYR 14 -10.976 1.305 -12.685 98 HE1 TYR 14 HE1 TYR 14 -13.745 5.063 -14.389 99 HE2 TYR 14 HE2 TYR 14 -12.464 0.976 -14.664 100 HH TYR 14 HH TYR 14 -14.026 1.921 -16.048 101 H GLN 15 H GLN 15 -7.525 2.876 -11.126 102 HA GLN 15 HA GLN 15 -6.996 3.589 -8.365 103 HB2 GLN 15 1HB GLN 15 -5.330 1.955 -10.295 104 HB3 GLN 15 2HB GLN 15 -5.170 2.014 -8.532 105 HG2 GLN 15 1HG GLN 15 -7.814 1.387 -8.794 106 HG3 GLN 15 2HG GLN 15 -7.144 0.593 -10.223 107 HE21 GLN 15 2HE2 GLN 15 -8.001 0.105 -7.144 108 HE22 GLN 15 1HE2 GLN 15 -6.882 -1.158 -6.710 109 H LEU 16 H LEU 16 -5.686 4.383 -11.557 110 HA LEU 16 HA LEU 16 -3.383 5.819 -10.626 111 HB2 LEU 16 1HB LEU 16 -4.959 5.940 -13.200 112 HB3 LEU 16 2HB LEU 16 -3.515 6.899 -12.916 113 HG LEU 16 HG LEU 16 -3.578 3.865 -12.806 114 HD11 LEU 16 1HD1 LEU 16 -2.477 3.950 -15.000 115 HD12 LEU 16 2HD1 LEU 16 -2.665 5.720 -15.034 116 HD13 LEU 16 3HD1 LEU 16 -4.093 4.661 -15.066 117 HD21 LEU 16 3HD2 LEU 16 -1.737 4.843 -11.513 118 HD22 LEU 16 1HD2 LEU 16 -1.277 5.864 -12.896 119 HD23 LEU 16 2HD2 LEU 16 -1.117 4.094 -12.991 120 H GLU 17 H GLU 17 -6.786 6.781 -11.091 121 HA GLU 17 HA GLU 17 -6.410 9.597 -10.983 122 HB2 GLU 17 1HB GLU 17 -8.665 7.819 -10.005 123 HB3 GLU 17 2HB GLU 17 -8.727 9.576 -9.888 124 HG2 GLU 17 1HG GLU 17 -8.542 9.793 -12.303 125 HG3 GLU 17 2HG GLU 17 -8.395 8.042 -12.472 126 HE2 GLU 17 HE2 GLU 17 -11.888 9.719 -12.049 127 H ASN 18 H ASN 18 -6.244 7.184 -8.402 128 HA ASN 18 HA ASN 18 -6.577 8.953 -6.209 129 HB2 ASN 18 1HB ASN 18 -5.003 6.383 -6.443 130 HB3 ASN 18 2HB ASN 18 -5.270 7.238 -4.921 131 HD21 ASN 18 2HD2 ASN 18 -6.314 4.731 -6.672 132 HD22 ASN 18 1HD2 ASN 18 -7.981 4.672 -6.140 133 H TYR 19 H TYR 19 -3.810 8.494 -8.329 134 HA TYR 19 HA TYR 19 -1.784 9.511 -6.530 135 HB2 TYR 19 1HB TYR 19 -2.045 9.299 -9.526 136 HB3 TYR 19 2HB TYR 19 -0.631 10.025 -8.796 137 HD1 TYR 19 HD1 TYR 19 -2.547 6.814 -9.011 138 HD2 TYR 19 HD2 TYR 19 1.155 8.720 -7.947 139 HE1 TYR 19 HE1 TYR 19 -1.450 4.587 -8.845 140 HE2 TYR 19 HE2 TYR 19 2.245 6.485 -7.778 141 HH TYR 19 HH TYR 19 0.484 3.445 -8.410 142 H CYS 20 H CYS 20 -4.284 11.011 -8.499 143 HA CYS 20 HA CYS 20 -3.208 13.698 -7.760 144 HB2 CYS 20 1HB CYS 20 -4.040 14.488 -9.961 145 HB3 CYS 20 2HB CYS 20 -2.698 13.354 -10.073 146 H ASN 21 H ASN 21 -5.086 12.081 -6.352 147 HA ASN 21 HA ASN 21 -7.784 12.844 -7.061 148 HB2 ASN 21 1HB ASN 21 -6.880 10.835 -5.577 149 HB3 ASN 21 2HB ASN 21 -7.087 11.971 -4.252 150 HD21 ASN 21 2HD2 ASN 21 -8.962 11.556 -3.256 151 HD22 ASN 21 1HD2 ASN 21 -10.464 11.198 -4.062 152 HXT ASN 21 H02 ASN 21 -5.600 14.515 -5.790 153 H1 PHE 1 3H0 PHE 1 -9.208 2.718 -21.975 154 H2 PHE 1 2H0 PHE 1 -8.564 1.791 -23.179 155 H3 PHE 1 1H0 PHE 1 -9.203 1.072 -21.842 156 HA PHE 1 HA PHE 1 -6.800 2.774 -21.902 157 HB2 PHE 1 1HB PHE 1 -8.306 2.876 -19.840 158 HB3 PHE 1 2HB PHE 1 -7.928 1.169 -19.581 159 HD1 PHE 1 HD1 PHE 1 -6.509 4.614 -19.695 160 HD2 PHE 1 HD2 PHE 1 -5.799 0.490 -18.651 161 HE1 PHE 1 HE1 PHE 1 -4.434 5.279 -18.494 162 HE2 PHE 1 HE2 PHE 1 -3.726 1.155 -17.441 163 HZ PHE 1 HZ PHE 1 -3.029 3.548 -17.378 164 H VAL 2 H VAL 2 -4.785 1.592 -21.741 165 HA VAL 2 HA VAL 2 -5.104 -1.258 -22.580 166 HB VAL 2 HB VAL 2 -2.688 0.608 -22.831 167 HG11 VAL 2 1HG1 VAL 2 -1.773 -1.183 -24.309 168 HG12 VAL 2 2HG1 VAL 2 -2.014 -1.761 -22.649 169 HG13 VAL 2 3HG1 VAL 2 -3.174 -2.208 -23.924 170 HG21 VAL 2 3HG2 VAL 2 -3.201 0.536 -25.283 171 HG22 VAL 2 1HG2 VAL 2 -4.711 -0.332 -24.920 172 HG23 VAL 2 2HG2 VAL 2 -4.471 1.336 -24.343 173 H ASN 3 H ASN 3 -4.802 -2.720 -21.020 174 HA ASN 3 HA ASN 3 -3.724 -2.030 -18.442 175 HB2 ASN 3 1HB ASN 3 -4.221 -4.711 -19.788 176 HB3 ASN 3 2HB ASN 3 -3.626 -4.537 -18.132 177 HD21 ASN 3 2HD2 ASN 3 -6.106 -5.767 -19.033 178 HD22 ASN 3 1HD2 ASN 3 -7.398 -4.867 -18.275 179 H GLN 4 H GLN 4 -1.695 -1.964 -17.753 180 HA GLN 4 HA GLN 4 0.329 -3.758 -18.800 181 HB2 GLN 4 1HB GLN 4 1.873 -1.960 -19.506 182 HB3 GLN 4 2HB GLN 4 0.417 -1.953 -20.507 183 HG2 GLN 4 1HG GLN 4 -0.484 -0.112 -19.001 184 HG3 GLN 4 2HG GLN 4 1.126 -0.034 -18.281 185 HE21 GLN 4 2HE2 GLN 4 -0.810 0.530 -21.126 186 HE22 GLN 4 1HE2 GLN 4 0.356 1.540 -21.955 187 H HIS 5 H HIS 5 2.005 -3.852 -17.278 188 HA HIS 5 HA HIS 5 1.535 -2.690 -14.642 189 HB2 HIS 5 1HB HIS 5 4.043 -3.950 -15.835 190 HB3 HIS 5 2HB HIS 5 3.799 -3.544 -14.135 191 HD1 HIS 5 HD1 HIS 5 1.153 -4.701 -13.399 192 HD2 HIS 5 HD2 HIS 5 3.736 -6.650 -15.974 193 HE1 HIS 5 HE1 HIS 5 0.490 -7.181 -13.435 194 HE2 HIS 5 HE2 HIS 5 2.102 -8.333 -14.975 195 H LEU 6 H LEU 6 2.605 -0.899 -13.737 196 HA LEU 6 HA LEU 6 3.925 0.899 -15.747 197 HB2 LEU 6 1HB LEU 6 1.774 1.478 -13.697 198 HB3 LEU 6 2HB LEU 6 2.676 2.730 -14.534 199 HG LEU 6 HG LEU 6 0.990 0.686 -15.991 200 HD11 LEU 6 1HD1 LEU 6 0.234 3.464 -15.028 201 HD12 LEU 6 2HD1 LEU 6 -0.432 1.919 -14.441 202 HD13 LEU 6 3HD1 LEU 6 -0.737 2.436 -16.110 203 HD21 LEU 6 3HD2 LEU 6 2.638 1.787 -17.396 204 HD22 LEU 6 1HD2 LEU 6 2.159 3.382 -16.766 205 HD23 LEU 6 2HD2 LEU 6 1.035 2.444 -17.766 206 H CYS 7 H CYS 7 5.956 1.220 -15.120 207 HA CYS 7 HA CYS 7 6.412 2.050 -12.284 208 HB2 CYS 7 1HB CYS 7 8.230 0.333 -14.021 209 HB3 CYS 7 2HB CYS 7 8.653 0.985 -12.437 210 H GLY 8 H GLY 8 8.165 3.574 -12.040 211 HA2 GLY 8 1HA GLY 8 9.455 5.375 -12.684 212 HA3 GLY 8 2HA GLY 8 9.892 4.379 -14.079 213 H SER 9 H SER 9 9.931 5.827 -15.698 214 HA SER 9 HA SER 9 8.202 8.012 -16.015 215 HB2 SER 9 1HB SER 9 9.272 6.615 -18.430 216 HB3 SER 9 2HB SER 9 9.350 8.334 -17.973 217 HG SER 9 HG SER 9 11.384 7.527 -17.664 218 H HIS 10 H HIS 10 7.626 4.606 -16.883 219 HA HIS 10 HA HIS 10 5.497 5.144 -18.761 220 HB2 HIS 10 1HB HIS 10 6.575 2.810 -17.342 221 HB3 HIS 10 2HB HIS 10 4.819 2.754 -17.485 222 HD1 HIS 10 HD1 HIS 10 3.804 2.193 -19.800 223 HD2 HIS 10 HD2 HIS 10 7.959 2.835 -19.873 224 HE1 HIS 10 HE1 HIS 10 4.619 1.526 -22.108 225 HE2 HIS 10 HE2 HIS 10 7.120 1.917 -22.142 226 H LEU 11 H LEU 11 5.621 4.773 -15.214 227 HA LEU 11 HA LEU 11 2.765 4.861 -14.842 228 HB2 LEU 11 1HB LEU 11 4.385 3.991 -13.180 229 HB3 LEU 11 2HB LEU 11 5.044 5.605 -12.974 230 HG LEU 11 HG LEU 11 2.992 6.377 -11.926 231 HD11 LEU 11 1HD1 LEU 11 1.194 4.800 -11.328 232 HD12 LEU 11 2HD1 LEU 11 1.972 3.537 -12.307 233 HD13 LEU 11 3HD1 LEU 11 1.323 5.005 -13.082 234 HD21 LEU 11 3HD2 LEU 11 3.948 3.716 -10.785 235 HD22 LEU 11 1HD2 LEU 11 3.178 5.043 -9.882 236 HD23 LEU 11 2HD2 LEU 11 4.784 5.278 -10.601 237 H VAL 12 H VAL 12 5.352 7.316 -14.853 238 HA VAL 12 HA VAL 12 3.706 9.541 -14.164 239 HB VAL 12 HB VAL 12 6.264 9.398 -15.841 240 HG11 VAL 12 1HG1 VAL 12 5.015 11.799 -14.458 241 HG12 VAL 12 2HG1 VAL 12 6.578 11.769 -15.301 242 HG13 VAL 12 3HG1 VAL 12 5.077 11.531 -16.214 243 HG21 VAL 12 3HG2 VAL 12 5.822 9.962 -12.871 244 HG22 VAL 12 1HG2 VAL 12 6.561 8.503 -13.562 245 HG23 VAL 12 2HG2 VAL 12 7.384 10.063 -13.716 246 H GLU 13 H GLU 13 4.563 8.126 -17.363 247 HA GLU 13 HA GLU 13 3.173 10.111 -18.899 248 HB2 GLU 13 1HB GLU 13 3.987 7.248 -19.450 249 HB3 GLU 13 2HB GLU 13 3.155 8.242 -20.652 250 HG2 GLU 13 1HG GLU 13 5.686 9.246 -19.355 251 HG3 GLU 13 2HG GLU 13 5.754 8.083 -20.686 252 HE2 GLU 13 HE2 GLU 13 4.546 11.787 -21.357 253 H ALA 14 H ALA 14 2.108 7.125 -17.311 254 HA ALA 14 HA ALA 14 -0.459 7.055 -18.631 255 HB1 ALA 14 3HB ALA 14 0.371 5.943 -15.920 256 HB2 ALA 14 1HB ALA 14 -1.066 5.480 -16.861 257 HB3 ALA 14 2HB ALA 14 0.558 5.105 -17.478 258 H LEU 15 H LEU 15 0.802 8.502 -15.617 259 HA LEU 15 HA LEU 15 -1.729 9.438 -14.674 260 HB2 LEU 15 1HB LEU 15 1.113 10.336 -14.161 261 HB3 LEU 15 2HB LEU 15 -0.277 11.080 -13.379 262 HG LEU 15 HG LEU 15 0.467 8.154 -13.104 263 HD11 LEU 15 1HD1 LEU 15 1.214 8.706 -10.869 264 HD12 LEU 15 2HD1 LEU 15 0.812 10.420 -11.122 265 HD13 LEU 15 3HD1 LEU 15 2.125 9.662 -12.054 266 HD21 LEU 15 3HD2 LEU 15 -1.165 8.176 -11.298 267 HD22 LEU 15 1HD2 LEU 15 -1.911 8.545 -12.851 268 HD23 LEU 15 2HD2 LEU 15 -1.583 9.858 -11.702 269 H TYR 16 H TYR 16 0.617 10.875 -16.941 270 HA TYR 16 HA TYR 16 -0.469 13.493 -17.039 271 HB2 TYR 16 1HB TYR 16 0.956 11.713 -18.987 272 HB3 TYR 16 2HB TYR 16 0.090 13.098 -19.643 273 HD1 TYR 16 HD1 TYR 16 0.633 15.440 -18.727 274 HD2 TYR 16 HD2 TYR 16 3.134 12.009 -18.040 275 HE1 TYR 16 HE1 TYR 16 2.554 16.939 -18.181 276 HE2 TYR 16 HE2 TYR 16 5.053 13.516 -17.517 277 HH TYR 16 HH TYR 16 5.771 15.678 -17.306 278 H LEU 17 H LEU 17 -1.500 10.519 -18.740 279 HA LEU 17 HA LEU 17 -3.597 11.869 -20.186 280 HB2 LEU 17 1HB LEU 17 -3.242 8.937 -19.506 281 HB3 LEU 17 2HB LEU 17 -4.388 9.593 -20.667 282 HG LEU 17 HG LEU 17 -1.367 9.820 -20.920 283 HD11 LEU 17 1HD1 LEU 17 -3.310 7.911 -22.276 284 HD12 LEU 17 2HD1 LEU 17 -2.111 7.481 -21.029 285 HD13 LEU 17 3HD1 LEU 17 -1.569 8.055 -22.619 286 HD21 LEU 17 3HD2 LEU 17 -3.614 10.399 -22.897 287 HD22 LEU 17 1HD2 LEU 17 -1.878 10.396 -23.285 288 HD23 LEU 17 2HD2 LEU 17 -2.525 11.591 -22.149 289 H VAL 18 H VAL 18 -3.571 9.919 -17.186 290 HA VAL 18 HA VAL 18 -6.466 9.854 -17.037 291 HB VAL 18 HB VAL 18 -4.319 9.215 -14.956 292 HG11 VAL 18 1HG1 VAL 18 -7.313 8.649 -14.939 293 HG12 VAL 18 2HG1 VAL 18 -6.135 7.924 -13.820 294 HG13 VAL 18 3HG1 VAL 18 -6.407 9.672 -13.796 295 HG21 VAL 18 3HG2 VAL 18 -4.218 7.768 -16.929 296 HG22 VAL 18 1HG2 VAL 18 -4.868 6.863 -15.556 297 HG23 VAL 18 2HG2 VAL 18 -5.962 7.455 -16.825 298 H CYS 19 H CYS 19 -3.937 11.814 -15.449 299 HA CYS 19 HA CYS 19 -5.964 13.212 -13.864 300 HB2 CYS 19 1HB CYS 19 -3.035 13.848 -14.291 301 HB3 CYS 19 2HB CYS 19 -4.085 14.516 -13.030 302 H GLY 20 H GLY 20 -4.439 13.524 -17.008 303 HA2 GLY 20 1HA GLY 20 -4.963 14.957 -18.718 304 HA3 GLY 20 2HA GLY 20 -6.360 15.487 -17.771 305 H GLU 21 H GLU 21 -6.143 17.596 -18.441 306 HA GLU 21 HA GLU 21 -3.741 19.125 -18.281 307 HB2 GLU 21 1HB GLU 21 -6.662 19.960 -18.306 308 HB3 GLU 21 2HB GLU 21 -5.301 21.069 -18.515 309 HG2 GLU 21 1HG GLU 21 -4.613 19.857 -20.553 310 HG3 GLU 21 2HG GLU 21 -5.974 18.743 -20.356 311 HE2 GLU 21 HE2 GLU 21 -6.992 21.197 -22.675 312 H ARG 22 H ARG 22 -5.647 17.994 -15.708 313 HA ARG 22 HA ARG 22 -5.478 20.300 -13.951 314 HB2 ARG 22 1HB ARG 22 -5.759 17.327 -13.361 315 HB3 ARG 22 2HB ARG 22 -5.935 18.614 -12.166 316 HG2 ARG 22 1HG ARG 22 -7.881 19.503 -13.326 317 HG3 ARG 22 2HG ARG 22 -7.703 18.301 -14.621 318 HD2 ARG 22 1HD ARG 22 -8.117 17.583 -11.699 319 HD3 ARG 22 2HD ARG 22 -9.438 17.742 -12.876 320 HE ARG 22 HE ARG 22 -7.544 15.980 -14.003 321 HH11 ARG 22 1HH1 ARG 22 -9.662 15.982 -11.171 322 HH12 ARG 22 2HH1 ARG 22 -9.835 14.249 -11.187 323 HH21 ARG 22 1HH2 ARG 22 -7.848 13.781 -13.981 324 HH22 ARG 22 2HH2 ARG 22 -8.817 13.027 -12.744 325 H GLY 23 H GLY 23 -3.259 17.816 -14.972 326 HA2 GLY 23 1HA GLY 23 -0.980 17.671 -14.478 327 HA3 GLY 23 2HA GLY 23 -1.159 18.963 -13.271 328 H PHE 24 H PHE 24 0.377 17.045 -12.385 329 HA PHE 24 HA PHE 24 -1.103 15.764 -10.243 330 HB2 PHE 24 1HB PHE 24 -0.576 13.464 -10.830 331 HB3 PHE 24 2HB PHE 24 -1.543 14.180 -12.116 332 HD1 PHE 24 HD1 PHE 24 -0.443 14.905 -14.257 333 HD2 PHE 24 HD2 PHE 24 1.613 12.636 -11.248 334 HE1 PHE 24 HE1 PHE 24 1.296 14.296 -15.906 335 HE2 PHE 24 HE2 PHE 24 3.335 11.986 -12.899 336 HZ PHE 24 HZ PHE 24 3.184 12.831 -15.248 337 H PHE 25 H PHE 25 0.611 14.228 -9.104 338 HA PHE 25 HA PHE 25 3.377 15.202 -9.577 339 HB2 PHE 25 1HB PHE 25 3.771 15.453 -7.198 340 HB3 PHE 25 2HB PHE 25 2.417 16.493 -7.656 341 HD1 PHE 25 HD1 PHE 25 0.093 15.899 -6.980 342 HD2 PHE 25 HD2 PHE 25 3.483 13.579 -5.695 343 HE1 PHE 25 HE1 PHE 25 -1.318 14.810 -5.242 344 HE2 PHE 25 HE2 PHE 25 2.082 12.490 -3.948 345 HZ PHE 25 HZ PHE 25 -0.328 13.095 -3.729 346 H TYR 26 H TYR 26 4.919 13.644 -8.453 347 HA TYR 26 HA TYR 26 3.749 10.959 -7.988 348 HB2 TYR 26 1HB TYR 26 4.355 10.875 -10.344 349 HB3 TYR 26 2HB TYR 26 5.931 11.608 -10.005 350 HD1 TYR 26 HD2 TYR 26 3.893 8.633 -8.847 351 HD2 TYR 26 HD1 TYR 26 7.773 10.174 -9.903 352 HE1 TYR 26 HE2 TYR 26 4.905 6.390 -8.441 353 HE2 TYR 26 HE1 TYR 26 8.762 7.919 -9.536 354 HH TYR 26 HH TYR 26 8.401 5.781 -8.915 355 H THR 27 H THR 27 4.946 9.809 -6.483 356 HA THR 27 HA THR 27 7.161 11.339 -5.218 357 HB THR 27 HB THR 27 5.519 11.386 -3.601 358 HG1 THR 27 HG1 THR 27 7.235 10.458 -2.582 359 HG21 THR 27 1HG2 THR 27 3.785 10.117 -4.617 360 HG22 THR 27 2HG2 THR 27 4.118 9.351 -3.050 361 HG23 THR 27 3HG2 THR 27 4.745 8.616 -4.541 362 HA PRO 28 HA PRO 28 9.151 7.475 -6.556 363 HB2 PRO 28 1HB PRO 28 11.628 8.497 -7.022 364 HB3 PRO 28 2HB PRO 28 10.273 8.771 -8.163 365 HG2 PRO 28 1HG PRO 28 11.353 10.577 -6.027 366 HG3 PRO 28 2HG PRO 28 10.934 10.960 -7.724 367 HD2 PRO 28 1HD PRO 28 9.283 11.451 -5.581 368 HD3 PRO 28 2HD PRO 28 8.657 11.111 -7.229 369 H LYS 29 H LYS 29 10.730 6.100 -5.478 370 HA LYS 29 HA LYS 29 11.268 6.933 -2.696 371 HB2 LYS 29 1HB LYS 29 12.107 4.621 -2.376 372 HB3 LYS 29 2HB LYS 29 10.415 4.719 -2.857 373 HG2 LYS 29 1HG LYS 29 11.025 4.036 -5.174 374 HG3 LYS 29 2HG LYS 29 12.722 3.922 -4.677 375 HD2 LYS 29 1HD LYS 29 11.693 2.366 -2.768 376 HD3 LYS 29 2HD LYS 29 10.423 2.138 -3.985 377 HE2 LYS 29 1HE LYS 29 13.414 1.652 -4.346 378 HE3 LYS 29 2HE LYS 29 12.168 0.403 -4.172 379 HZ1 LYS 29 3HZ LYS 29 12.761 0.715 -6.475 380 HZ2 LYS 29 1HZ LYS 29 12.400 2.322 -6.417 381 HZ3 LYS 29 2HZ LYS 29 11.199 1.199 -6.259 382 H THR 30 H THR 30 12.722 8.611 -3.109 383 HA THR 30 HA THR 30 15.232 8.014 -4.528 384 HB THR 30 HB THR 30 15.743 10.430 -3.570 385 HG1 THR 30 HG1 THR 30 13.677 11.474 -3.139 386 HG21 THR 30 1HG2 THR 30 15.182 10.011 -5.974 387 HG22 THR 30 2HG2 THR 30 14.323 11.446 -5.394 388 HG23 THR 30 3HG2 THR 30 13.457 9.911 -5.574 389 HXT THR 30 H02 THR 30 14.447 8.978 -1.474 Start of MODEL 11 1 H1 GLY 1 3H0 GLY 1 2.960 -1.734 -2.163 2 H2 GLY 1 2H0 GLY 1 2.553 -1.535 -0.577 3 H3 GLY 1 1H0 GLY 1 1.377 -1.799 -1.705 4 HA2 GLY 1 1HA GLY 1 1.415 0.518 -1.042 5 HA3 GLY 1 2HA GLY 1 3.107 0.593 -1.574 6 H ILE 2 H ILE 2 0.938 2.255 -2.637 7 HA ILE 2 HA ILE 2 -0.341 1.099 -4.823 8 HB ILE 2 HB ILE 2 -0.953 3.249 -3.725 9 HG12 ILE 2 1HG1 ILE 2 -0.687 3.396 -6.744 10 HG13 ILE 2 2HG1 ILE 2 -1.907 2.469 -5.875 11 HG21 ILE 2 1HG2 ILE 2 0.090 5.360 -4.306 12 HG22 ILE 2 2HG2 ILE 2 1.370 4.280 -3.731 13 HG23 ILE 2 3HG2 ILE 2 1.172 4.581 -5.474 14 HD11 ILE 2 3HD1 ILE 2 -2.916 4.533 -6.629 15 HD12 ILE 2 1HD1 ILE 2 -2.749 4.632 -4.862 16 HD13 ILE 2 2HD1 ILE 2 -1.614 5.510 -5.924 17 H VAL 3 H VAL 3 2.842 2.787 -4.954 18 HA VAL 3 HA VAL 3 3.042 2.523 -7.793 19 HB VAL 3 HB VAL 3 4.436 4.134 -6.644 20 HG11 VAL 3 1HG1 VAL 3 4.723 2.940 -4.473 21 HG12 VAL 3 2HG1 VAL 3 5.870 1.821 -5.258 22 HG13 VAL 3 3HG1 VAL 3 6.257 3.546 -5.123 23 HG21 VAL 3 3HG2 VAL 3 6.265 1.958 -7.745 24 HG22 VAL 3 1HG2 VAL 3 5.303 3.062 -8.747 25 HG23 VAL 3 2HG2 VAL 3 6.575 3.710 -7.691 26 H GLU 4 H GLU 4 4.023 0.366 -5.148 27 HA GLU 4 HA GLU 4 5.400 -1.540 -6.751 28 HB2 GLU 4 1HB GLU 4 5.404 -1.365 -4.240 29 HB3 GLU 4 2HB GLU 4 3.748 -1.961 -4.241 30 HG2 GLU 4 1HG GLU 4 4.562 -4.072 -5.308 31 HG3 GLU 4 2HG GLU 4 6.214 -3.477 -5.087 32 HE2 GLU 4 HE2 GLU 4 5.787 -5.393 -2.249 33 H GLN 5 H GLN 5 1.976 -1.190 -5.789 34 HA GLN 5 HA GLN 5 1.080 -3.631 -6.971 35 HB2 GLN 5 1HB GLN 5 -0.315 -1.040 -6.245 36 HB3 GLN 5 2HB GLN 5 -1.180 -2.445 -6.884 37 HG2 GLN 5 1HG GLN 5 -0.761 -3.744 -4.981 38 HG3 GLN 5 2HG GLN 5 0.618 -2.760 -4.482 39 HE21 GLN 5 2HE2 GLN 5 -2.922 -2.560 -4.935 40 HE22 GLN 5 1HE2 GLN 5 -3.182 -1.491 -3.578 41 H CYS 6 H CYS 6 1.383 -0.295 -8.300 42 HA CYS 6 HA CYS 6 0.134 -1.076 -10.804 43 HB2 CYS 6 1HB CYS 6 1.949 1.278 -10.174 44 HB3 CYS 6 2HB CYS 6 0.990 1.076 -11.642 45 H CYS 7 H CYS 7 3.458 -1.092 -9.565 46 HA CYS 7 HA CYS 7 4.682 -1.457 -12.141 47 HB2 CYS 7 1HB CYS 7 5.590 -2.117 -9.323 48 HB3 CYS 7 2HB CYS 7 6.593 -2.391 -10.750 49 H THR 8 H THR 8 3.678 -3.754 -9.553 50 HA THR 8 HA THR 8 4.551 -5.993 -11.240 51 HB THR 8 HB THR 8 4.907 -5.845 -8.709 52 HG1 THR 8 HG1 THR 8 5.073 -7.794 -9.987 53 HG21 THR 8 1HG2 THR 8 3.171 -6.520 -7.228 54 HG22 THR 8 2HG2 THR 8 2.075 -6.921 -8.564 55 HG23 THR 8 3HG2 THR 8 2.470 -5.222 -8.216 56 H SER 9 H SER 9 1.494 -4.412 -10.527 57 HA SER 9 HA SER 9 0.176 -6.510 -12.169 58 HB2 SER 9 1HB SER 9 -0.137 -6.907 -9.647 59 HB3 SER 9 2HB SER 9 -1.085 -5.404 -9.619 60 HG SER 9 HG SER 9 -2.233 -7.500 -9.964 61 H ILE 10 H ILE 10 -2.434 -5.489 -12.038 62 HA ILE 10 HA ILE 10 -1.919 -3.234 -13.886 63 HB ILE 10 HB ILE 10 -4.474 -4.830 -13.401 64 HG12 ILE 10 1HG1 ILE 10 -2.650 -6.264 -14.258 65 HG13 ILE 10 2HG1 ILE 10 -3.985 -6.090 -15.388 66 HG21 ILE 10 1HG2 ILE 10 -5.161 -3.887 -15.626 67 HG22 ILE 10 2HG2 ILE 10 -4.993 -2.654 -14.369 68 HG23 ILE 10 3HG2 ILE 10 -3.715 -2.842 -15.594 69 HD11 ILE 10 3HD1 ILE 10 -1.391 -4.525 -15.602 70 HD12 ILE 10 1HD1 ILE 10 -1.736 -6.038 -16.465 71 HD13 ILE 10 2HD1 ILE 10 -2.705 -4.592 -16.791 72 H CYS 11 H CYS 11 -2.258 -1.194 -13.360 73 HA CYS 11 HA CYS 11 -4.260 -0.577 -11.226 74 HB2 CYS 11 1HB CYS 11 -1.881 0.942 -12.321 75 HB3 CYS 11 2HB CYS 11 -3.207 1.771 -11.491 76 H SER 12 H SER 12 -6.184 -0.034 -11.961 77 HA SER 12 HA SER 12 -6.638 0.614 -14.776 78 HB2 SER 12 1HB SER 12 -8.990 0.839 -14.048 79 HB3 SER 12 2HB SER 12 -8.287 -0.668 -13.417 80 HG SER 12 HG SER 12 -9.297 0.293 -11.711 81 H LEU 13 H LEU 13 -7.977 2.707 -15.212 82 HA LEU 13 HA LEU 13 -6.402 4.944 -14.517 83 HB2 LEU 13 1HB LEU 13 -8.044 6.279 -15.603 84 HB3 LEU 13 2HB LEU 13 -7.875 4.774 -16.492 85 HG LEU 13 HG LEU 13 -10.013 4.177 -14.880 86 HD11 LEU 13 1HD1 LEU 13 -10.236 7.128 -15.619 87 HD12 LEU 13 2HD1 LEU 13 -10.132 6.466 -13.971 88 HD13 LEU 13 3HD1 LEU 13 -11.547 6.112 -14.978 89 HD21 LEU 13 3HD2 LEU 13 -10.066 5.526 -17.604 90 HD22 LEU 13 1HD2 LEU 13 -11.382 4.567 -16.885 91 HD23 LEU 13 2HD2 LEU 13 -9.843 3.786 -17.289 92 H TYR 14 H TYR 14 -9.161 3.517 -12.833 93 HA TYR 14 HA TYR 14 -9.709 5.795 -11.170 94 HB2 TYR 14 1HB TYR 14 -10.189 2.877 -10.504 95 HB3 TYR 14 2HB TYR 14 -11.078 4.284 -9.905 96 HD1 TYR 14 HD2 TYR 14 -12.461 5.649 -11.625 97 HD2 TYR 14 HD1 TYR 14 -10.844 1.755 -12.486 98 HE1 TYR 14 HE2 TYR 14 -14.048 5.405 -13.536 99 HE2 TYR 14 HE1 TYR 14 -12.418 1.533 -14.416 100 HH TYR 14 HH TYR 14 -14.794 4.058 -15.233 101 H GLN 15 H GLN 15 -7.605 2.935 -10.849 102 HA GLN 15 HA GLN 15 -6.801 3.487 -8.133 103 HB2 GLN 15 1HB GLN 15 -5.397 1.964 -10.360 104 HB3 GLN 15 2HB GLN 15 -4.912 1.944 -8.664 105 HG2 GLN 15 1HG GLN 15 -7.657 1.024 -9.598 106 HG3 GLN 15 2HG GLN 15 -6.257 -0.053 -9.500 107 HE21 GLN 15 2HE2 GLN 15 -6.085 -1.185 -7.692 108 HE22 GLN 15 1HE2 GLN 15 -6.724 -0.710 -6.137 109 H LEU 16 H LEU 16 -5.663 4.380 -11.355 110 HA LEU 16 HA LEU 16 -3.272 5.690 -10.481 111 HB2 LEU 16 1HB LEU 16 -4.916 5.884 -13.004 112 HB3 LEU 16 2HB LEU 16 -3.391 6.739 -12.779 113 HG LEU 16 HG LEU 16 -3.653 3.726 -12.509 114 HD11 LEU 16 1HD1 LEU 16 -2.672 5.266 -14.924 115 HD12 LEU 16 2HD1 LEU 16 -4.268 4.491 -14.789 116 HD13 LEU 16 3HD1 LEU 16 -2.804 3.500 -14.737 117 HD21 LEU 16 3HD2 LEU 16 -1.242 5.552 -12.861 118 HD22 LEU 16 1HD2 LEU 16 -1.194 3.774 -12.876 119 HD23 LEU 16 2HD2 LEU 16 -1.673 4.630 -11.403 120 H GLU 17 H GLU 17 -6.636 6.839 -10.804 121 HA GLU 17 HA GLU 17 -6.068 9.624 -10.693 122 HB2 GLU 17 1HB GLU 17 -8.420 7.965 -9.767 123 HB3 GLU 17 2HB GLU 17 -8.368 9.704 -9.490 124 HG2 GLU 17 1HG GLU 17 -7.974 8.604 -12.262 125 HG3 GLU 17 2HG GLU 17 -9.591 8.790 -11.584 126 HE2 GLU 17 HE2 GLU 17 -7.404 12.057 -12.187 127 H ASN 18 H ASN 18 -5.883 7.211 -8.148 128 HA ASN 18 HA ASN 18 -6.096 8.946 -5.898 129 HB2 ASN 18 1HB ASN 18 -4.520 6.386 -6.300 130 HB3 ASN 18 2HB ASN 18 -4.686 7.201 -4.742 131 HD21 ASN 18 2HD2 ASN 18 -5.837 4.724 -6.487 132 HD22 ASN 18 1HD2 ASN 18 -7.452 4.623 -5.821 133 H TYR 19 H TYR 19 -3.483 8.518 -8.211 134 HA TYR 19 HA TYR 19 -1.372 9.594 -6.526 135 HB2 TYR 19 1HB TYR 19 -1.738 9.275 -9.505 136 HB3 TYR 19 2HB TYR 19 -0.301 9.999 -8.822 137 HD1 TYR 19 HD1 TYR 19 -2.194 6.812 -9.106 138 HD2 TYR 19 HD2 TYR 19 1.436 8.700 -7.795 139 HE1 TYR 19 HE1 TYR 19 -1.105 4.583 -8.913 140 HE2 TYR 19 HE2 TYR 19 2.510 6.462 -7.596 141 HH TYR 19 HH TYR 19 2.291 4.232 -7.935 142 H CYS 20 H CYS 20 -4.014 11.016 -8.343 143 HA CYS 20 HA CYS 20 -2.685 13.624 -8.626 144 HB2 CYS 20 1HB CYS 20 -5.574 12.794 -9.071 145 HB3 CYS 20 2HB CYS 20 -4.873 14.361 -9.478 146 H ASN 21 H ASN 21 -2.270 13.475 -6.191 147 HA ASN 21 HA ASN 21 -4.493 14.022 -4.402 148 HB2 ASN 21 1HB ASN 21 -2.425 13.013 -3.534 149 HB3 ASN 21 2HB ASN 21 -1.483 14.409 -4.055 150 HD21 ASN 21 2HD2 ASN 21 -4.107 13.371 -1.899 151 HD22 ASN 21 1HD2 ASN 21 -3.868 14.650 -0.739 152 HXT ASN 21 H02 ASN 21 -4.749 17.331 -4.337 153 H1 PHE 1 3H0 PHE 1 -9.607 4.131 -21.998 154 H2 PHE 1 2H0 PHE 1 -9.149 3.050 -23.157 155 H3 PHE 1 1H0 PHE 1 -10.026 2.540 -21.861 156 HA PHE 1 HA PHE 1 -7.270 3.582 -21.779 157 HB2 PHE 1 1HB PHE 1 -8.817 4.094 -19.809 158 HB3 PHE 1 2HB PHE 1 -8.895 2.352 -19.523 159 HD1 PHE 1 HD2 PHE 1 -6.610 5.304 -19.637 160 HD2 PHE 1 HD1 PHE 1 -7.096 1.201 -18.406 161 HE1 PHE 1 HE2 PHE 1 -4.493 5.447 -18.340 162 HE2 PHE 1 HE1 PHE 1 -4.974 1.342 -17.103 163 HZ PHE 1 HZ PHE 1 -3.665 3.463 -17.084 164 H VAL 2 H VAL 2 -5.651 1.895 -21.285 165 HA VAL 2 HA VAL 2 -6.642 -0.848 -21.976 166 HB VAL 2 HB VAL 2 -4.008 0.459 -22.853 167 HG11 VAL 2 1HG1 VAL 2 -3.720 -1.953 -22.472 168 HG12 VAL 2 2HG1 VAL 2 -5.174 -2.308 -23.437 169 HG13 VAL 2 3HG1 VAL 2 -3.726 -1.626 -24.214 170 HG21 VAL 2 3HG2 VAL 2 -4.953 0.216 -25.168 171 HG22 VAL 2 1HG2 VAL 2 -6.508 -0.264 -24.450 172 HG23 VAL 2 2HG2 VAL 2 -5.856 1.367 -24.169 173 H ASN 3 H ASN 3 -6.058 -2.394 -20.561 174 HA ASN 3 HA ASN 3 -4.668 -1.706 -18.129 175 HB2 ASN 3 1HB ASN 3 -4.535 -4.286 -17.932 176 HB3 ASN 3 2HB ASN 3 -6.145 -3.525 -17.876 177 HD21 ASN 3 2HD2 ASN 3 -4.426 -6.036 -19.167 178 HD22 ASN 3 1HD2 ASN 3 -5.431 -6.373 -20.554 179 H GLN 4 H GLN 4 -2.574 -1.668 -17.686 180 HA GLN 4 HA GLN 4 -0.768 -3.588 -18.880 181 HB2 GLN 4 1HB GLN 4 0.814 -1.900 -19.755 182 HB3 GLN 4 2HB GLN 4 -0.713 -1.865 -20.639 183 HG2 GLN 4 1HG GLN 4 -1.409 0.101 -19.210 184 HG3 GLN 4 2HG GLN 4 0.232 0.115 -18.551 185 HE21 GLN 4 2HE2 GLN 4 -1.724 0.533 -21.441 186 HE22 GLN 4 1HE2 GLN 4 -0.543 1.470 -22.326 187 H HIS 5 H HIS 5 1.029 -3.781 -17.554 188 HA HIS 5 HA HIS 5 0.923 -2.655 -14.874 189 HB2 HIS 5 1HB HIS 5 3.282 -3.914 -16.344 190 HB3 HIS 5 2HB HIS 5 3.148 -3.649 -14.603 191 HD1 HIS 5 HD1 HIS 5 0.490 -4.791 -13.861 192 HD2 HIS 5 HD2 HIS 5 2.957 -6.599 -16.656 193 HE1 HIS 5 HE1 HIS 5 -0.216 -7.253 -14.008 194 HE2 HIS 5 HE2 HIS 5 1.319 -8.328 -15.696 195 H LEU 6 H LEU 6 2.184 -0.936 -14.040 196 HA LEU 6 HA LEU 6 3.542 0.784 -16.086 197 HB2 LEU 6 1HB LEU 6 1.404 1.550 -14.076 198 HB3 LEU 6 2HB LEU 6 2.422 2.723 -14.901 199 HG LEU 6 HG LEU 6 0.622 0.796 -16.384 200 HD11 LEU 6 1HD1 LEU 6 -0.938 2.712 -16.579 201 HD12 LEU 6 2HD1 LEU 6 0.065 3.612 -15.415 202 HD13 LEU 6 3HD1 LEU 6 -0.763 2.118 -14.918 203 HD21 LEU 6 3HD2 LEU 6 2.375 1.729 -17.771 204 HD22 LEU 6 1HD2 LEU 6 2.040 3.371 -17.163 205 HD23 LEU 6 2HD2 LEU 6 0.851 2.532 -18.180 206 H CYS 7 H CYS 7 5.567 1.155 -15.418 207 HA CYS 7 HA CYS 7 5.999 1.766 -12.544 208 HB2 CYS 7 1HB CYS 7 6.428 -0.747 -13.273 209 HB3 CYS 7 2HB CYS 7 7.904 -0.079 -13.978 210 H GLY 8 H GLY 8 8.109 2.833 -12.200 211 HA2 GLY 8 1HA GLY 8 9.685 4.418 -12.782 212 HA3 GLY 8 2HA GLY 8 9.856 3.529 -14.307 213 H SER 9 H SER 9 10.033 5.236 -15.699 214 HA SER 9 HA SER 9 8.504 7.595 -15.637 215 HB2 SER 9 1HB SER 9 9.388 6.353 -18.231 216 HB3 SER 9 2HB SER 9 9.503 8.046 -17.688 217 HG SER 9 HG SER 9 11.539 7.198 -17.509 218 H HIS 10 H HIS 10 7.636 4.399 -16.922 219 HA HIS 10 HA HIS 10 5.543 5.284 -18.662 220 HB2 HIS 10 1HB HIS 10 6.505 2.769 -17.584 221 HB3 HIS 10 2HB HIS 10 4.740 2.812 -17.557 222 HD1 HIS 10 HD1 HIS 10 3.480 2.853 -19.870 223 HD2 HIS 10 HD2 HIS 10 7.664 2.743 -20.142 224 HE1 HIS 10 HE1 HIS 10 4.049 2.340 -22.297 225 HE2 HIS 10 HE2 HIS 10 6.575 2.290 -22.449 226 H LEU 11 H LEU 11 5.645 4.725 -15.162 227 HA LEU 11 HA LEU 11 2.792 4.788 -14.782 228 HB2 LEU 11 1HB LEU 11 4.440 3.916 -13.130 229 HB3 LEU 11 2HB LEU 11 5.061 5.546 -12.908 230 HG LEU 11 HG LEU 11 2.889 6.250 -11.953 231 HD11 LEU 11 1HD1 LEU 11 1.366 4.665 -13.014 232 HD12 LEU 11 2HD1 LEU 11 1.277 4.487 -11.254 233 HD13 LEU 11 3HD1 LEU 11 2.185 3.298 -12.216 234 HD21 LEU 11 3HD2 LEU 11 3.199 5.071 -9.835 235 HD22 LEU 11 1HD2 LEU 11 4.772 5.455 -10.556 236 HD23 LEU 11 2HD2 LEU 11 4.130 3.793 -10.653 237 H VAL 12 H VAL 12 5.363 7.257 -14.697 238 HA VAL 12 HA VAL 12 3.648 9.424 -13.953 239 HB VAL 12 HB VAL 12 6.289 9.474 -15.493 240 HG11 VAL 12 1HG1 VAL 12 4.946 11.632 -13.835 241 HG12 VAL 12 2HG1 VAL 12 6.534 11.751 -14.624 242 HG13 VAL 12 3HG1 VAL 12 5.066 11.608 -15.608 243 HG21 VAL 12 3HG2 VAL 12 6.594 8.271 -13.395 244 HG22 VAL 12 1HG2 VAL 12 7.304 9.887 -13.231 245 HG23 VAL 12 2HG2 VAL 12 5.722 9.537 -12.497 246 H GLU 13 H GLU 13 4.752 8.154 -17.113 247 HA GLU 13 HA GLU 13 3.572 10.179 -18.739 248 HB2 GLU 13 1HB GLU 13 4.201 7.255 -19.212 249 HB3 GLU 13 2HB GLU 13 3.551 8.300 -20.479 250 HG2 GLU 13 1HG GLU 13 5.492 9.742 -20.373 251 HG3 GLU 13 2HG GLU 13 6.131 8.855 -18.988 252 HE2 GLU 13 HE2 GLU 13 7.172 7.766 -22.460 253 H ALA 14 H ALA 14 2.259 7.222 -17.280 254 HA ALA 14 HA ALA 14 -0.210 7.295 -18.765 255 HB1 ALA 14 3HB ALA 14 0.645 5.260 -17.696 256 HB2 ALA 14 1HB ALA 14 0.464 6.009 -16.093 257 HB3 ALA 14 2HB ALA 14 -0.976 5.667 -17.085 258 H LEU 15 H LEU 15 0.870 8.670 -15.654 259 HA LEU 15 HA LEU 15 -1.736 9.404 -14.750 260 HB2 LEU 15 1HB LEU 15 1.026 10.460 -14.130 261 HB3 LEU 15 2HB LEU 15 -0.424 11.083 -13.349 262 HG LEU 15 HG LEU 15 0.459 8.186 -13.214 263 HD11 LEU 15 1HD1 LEU 15 0.721 10.372 -11.135 264 HD12 LEU 15 2HD1 LEU 15 2.058 9.683 -12.085 265 HD13 LEU 15 3HD1 LEU 15 1.167 8.660 -10.939 266 HD21 LEU 15 3HD2 LEU 15 -1.182 8.063 -11.390 267 HD22 LEU 15 1HD2 LEU 15 -1.932 8.443 -12.943 268 HD23 LEU 15 2HD2 LEU 15 -1.681 9.733 -11.747 269 H TYR 16 H TYR 16 0.500 11.040 -16.973 270 HA TYR 16 HA TYR 16 -0.833 13.578 -16.999 271 HB2 TYR 16 1HB TYR 16 0.685 12.038 -19.134 272 HB3 TYR 16 2HB TYR 16 -0.066 13.600 -19.460 273 HD1 TYR 16 HD1 TYR 16 0.660 15.648 -18.127 274 HD2 TYR 16 HD2 TYR 16 2.827 11.939 -18.046 275 HE1 TYR 16 HE1 TYR 16 2.667 16.834 -17.236 276 HE2 TYR 16 HE2 TYR 16 4.842 13.140 -17.192 277 HH TYR 16 HH TYR 16 4.841 16.639 -16.539 278 H LEU 17 H LEU 17 -1.467 10.518 -18.740 279 HA LEU 17 HA LEU 17 -3.608 11.647 -20.317 280 HB2 LEU 17 1HB LEU 17 -3.078 8.765 -19.544 281 HB3 LEU 17 2HB LEU 17 -4.165 9.326 -20.805 282 HG LEU 17 HG LEU 17 -1.151 9.723 -20.831 283 HD11 LEU 17 1HD1 LEU 17 -1.113 7.886 -22.462 284 HD12 LEU 17 2HD1 LEU 17 -2.868 7.658 -22.267 285 HD13 LEU 17 3HD1 LEU 17 -1.765 7.338 -20.904 286 HD21 LEU 17 3HD2 LEU 17 -3.264 10.094 -22.998 287 HD22 LEU 17 1HD2 LEU 17 -1.504 10.198 -23.245 288 HD23 LEU 17 2HD2 LEU 17 -2.322 11.379 -22.208 289 H VAL 18 H VAL 18 -3.473 9.828 -17.258 290 HA VAL 18 HA VAL 18 -6.317 9.392 -17.120 291 HB VAL 18 HB VAL 18 -4.144 9.329 -14.973 292 HG11 VAL 18 1HG1 VAL 18 -6.259 9.672 -13.843 293 HG12 VAL 18 2HG1 VAL 18 -7.049 8.420 -14.830 294 HG13 VAL 18 3HG1 VAL 18 -5.792 7.978 -13.650 295 HG21 VAL 18 3HG2 VAL 18 -3.947 7.674 -16.817 296 HG22 VAL 18 1HG2 VAL 18 -4.277 6.923 -15.254 297 HG23 VAL 18 2HG2 VAL 18 -5.581 7.091 -16.448 298 H CYS 19 H CYS 19 -4.153 11.843 -15.641 299 HA CYS 19 HA CYS 19 -6.532 13.085 -14.441 300 HB2 CYS 19 1HB CYS 19 -3.746 13.095 -13.858 301 HB3 CYS 19 2HB CYS 19 -4.278 14.771 -14.124 302 H GLY 20 H GLY 20 -4.667 13.419 -17.372 303 HA2 GLY 20 1HA GLY 20 -5.014 14.833 -19.148 304 HA3 GLY 20 2HA GLY 20 -6.589 15.222 -18.438 305 H GLU 21 H GLU 21 -6.653 17.344 -18.765 306 HA GLU 21 HA GLU 21 -4.543 19.198 -18.545 307 HB2 GLU 21 1HB GLU 21 -6.657 19.553 -19.734 308 HB3 GLU 21 2HB GLU 21 -7.549 19.543 -18.219 309 HG2 GLU 21 1HG GLU 21 -5.361 21.582 -18.665 310 HG3 GLU 21 2HG GLU 21 -6.954 21.815 -19.399 311 HE2 GLU 21 HE2 GLU 21 -6.801 23.379 -16.157 312 H ARG 22 H ARG 22 -6.435 17.741 -15.971 313 HA ARG 22 HA ARG 22 -6.178 19.831 -14.029 314 HB2 ARG 22 1HB ARG 22 -6.389 16.819 -13.702 315 HB3 ARG 22 2HB ARG 22 -6.530 17.974 -12.377 316 HG2 ARG 22 1HG ARG 22 -8.527 18.940 -13.327 317 HG3 ARG 22 2HG ARG 22 -8.372 17.957 -14.795 318 HD2 ARG 22 1HD ARG 22 -8.673 16.772 -12.019 319 HD3 ARG 22 2HD ARG 22 -10.045 17.116 -13.093 320 HE ARG 22 HE ARG 22 -8.212 15.597 -14.596 321 HH11 ARG 22 1HH1 ARG 22 -10.170 15.070 -11.692 322 HH12 ARG 22 2HH1 ARG 22 -10.313 13.354 -12.002 323 HH21 ARG 22 1HH2 ARG 22 -8.501 13.413 -14.930 324 HH22 ARG 22 2HH2 ARG 22 -9.397 12.452 -13.776 325 H GLY 23 H GLY 23 -3.908 17.389 -15.150 326 HA2 GLY 23 1HA GLY 23 -1.642 17.233 -14.685 327 HA3 GLY 23 2HA GLY 23 -1.778 18.655 -13.636 328 H PHE 24 H PHE 24 -0.144 17.004 -12.599 329 HA PHE 24 HA PHE 24 -1.373 15.954 -10.198 330 HB2 PHE 24 1HB PHE 24 -0.737 13.640 -10.458 331 HB3 PHE 24 2HB PHE 24 -1.785 14.050 -11.818 332 HD1 PHE 24 HD2 PHE 24 -0.720 14.583 -14.067 333 HD2 PHE 24 HD1 PHE 24 1.470 12.838 -10.813 334 HE1 PHE 24 HE2 PHE 24 1.053 13.881 -15.639 335 HE2 PHE 24 HE1 PHE 24 3.254 12.112 -12.397 336 HZ PHE 24 HZ PHE 24 3.044 12.653 -14.825 337 H PHE 25 H PHE 25 0.638 14.800 -9.004 338 HA PHE 25 HA PHE 25 3.224 15.729 -10.094 339 HB2 PHE 25 1HB PHE 25 3.964 16.623 -7.961 340 HB3 PHE 25 2HB PHE 25 2.522 17.499 -8.488 341 HD1 PHE 25 HD1 PHE 25 0.385 17.248 -7.294 342 HD2 PHE 25 HD2 PHE 25 3.918 15.161 -6.010 343 HE1 PHE 25 HE1 PHE 25 -0.703 16.751 -5.120 344 HE2 PHE 25 HE2 PHE 25 2.837 14.658 -3.826 345 HZ PHE 25 HZ PHE 25 0.524 15.474 -3.366 346 H TYR 26 H TYR 26 5.011 14.552 -8.860 347 HA TYR 26 HA TYR 26 4.069 12.041 -7.576 348 HB2 TYR 26 1HB TYR 26 4.344 11.550 -10.000 349 HB3 TYR 26 2HB TYR 26 6.008 12.151 -9.919 350 HD1 TYR 26 HD1 TYR 26 3.693 9.471 -8.774 351 HD2 TYR 26 HD2 TYR 26 7.775 10.815 -8.915 352 HE1 TYR 26 HE1 TYR 26 4.462 7.233 -8.006 353 HE2 TYR 26 HE2 TYR 26 8.539 8.565 -8.152 354 HH TYR 26 HH TYR 26 7.919 6.455 -7.538 355 H THR 27 H THR 27 5.442 11.431 -5.941 356 HA THR 27 HA THR 27 7.875 13.122 -5.594 357 HB THR 27 HB THR 27 7.412 12.680 -3.101 358 HG1 THR 27 HG1 THR 27 5.092 12.379 -2.780 359 HG21 THR 27 1HG2 THR 27 5.434 14.332 -4.713 360 HG22 THR 27 2HG2 THR 27 7.067 14.858 -4.246 361 HG23 THR 27 3HG2 THR 27 5.839 14.556 -2.996 362 HA PRO 28 HA PRO 28 9.532 8.906 -5.422 363 HB2 PRO 28 1HB PRO 28 12.071 9.467 -6.241 364 HB3 PRO 28 2HB PRO 28 10.723 9.298 -7.413 365 HG2 PRO 28 1HG PRO 28 11.901 11.796 -6.223 366 HG3 PRO 28 2HG PRO 28 11.561 11.419 -7.942 367 HD2 PRO 28 1HD PRO 28 9.864 12.888 -6.402 368 HD3 PRO 28 2HD PRO 28 9.267 11.778 -7.681 369 H LYS 29 H LYS 29 11.014 8.045 -3.813 370 HA LYS 29 HA LYS 29 12.190 10.056 -1.952 371 HB2 LYS 29 1HB LYS 29 10.497 7.670 -1.115 372 HB3 LYS 29 2HB LYS 29 11.408 8.728 -0.026 373 HG2 LYS 29 1HG LYS 29 10.002 10.657 -0.975 374 HG3 LYS 29 2HG LYS 29 8.958 9.414 -1.678 375 HD2 LYS 29 1HD LYS 29 9.603 9.686 1.294 376 HD3 LYS 29 2HD LYS 29 8.143 10.299 0.508 377 HE2 LYS 29 1HE LYS 29 7.310 8.311 1.267 378 HE3 LYS 29 2HE LYS 29 7.918 7.766 -0.306 379 HZ1 LYS 29 3HZ LYS 29 9.934 6.998 0.828 380 HZ2 LYS 29 1HZ LYS 29 8.602 6.287 1.494 381 HZ3 LYS 29 2HZ LYS 29 9.360 7.521 2.283 382 H THR 30 H THR 30 14.290 9.640 -1.872 383 HA THR 30 HA THR 30 15.355 7.057 -2.700 384 HB THR 30 HB THR 30 17.556 8.281 -2.094 385 HG1 THR 30 HG1 THR 30 16.779 9.753 -0.612 386 HG21 THR 30 1HG2 THR 30 17.343 9.876 -4.016 387 HG22 THR 30 2HG2 THR 30 15.581 9.712 -3.999 388 HG23 THR 30 3HG2 THR 30 16.601 8.326 -4.437 389 HXT THR 30 H02 THR 30 14.269 6.091 -1.216 Start of MODEL 12 1 H1 GLY 1 3H0 GLY 1 0.682 -1.451 -0.248 2 H2 GLY 1 2H0 GLY 1 -0.490 -1.428 -1.408 3 H3 GLY 1 1H0 GLY 1 1.032 -1.935 -1.786 4 HA2 GLY 1 1HA GLY 1 0.298 0.794 -0.959 5 HA3 GLY 1 2HA GLY 1 1.932 0.251 -1.390 6 H ILE 2 H ILE 2 -0.003 2.303 -2.613 7 HA ILE 2 HA ILE 2 -1.179 1.225 -4.909 8 HB ILE 2 HB ILE 2 -1.686 3.426 -3.836 9 HG12 ILE 2 1HG1 ILE 2 -1.152 3.583 -6.817 10 HG13 ILE 2 2HG1 ILE 2 -2.496 2.706 -6.083 11 HG21 ILE 2 1HG2 ILE 2 0.690 4.555 -5.407 12 HG22 ILE 2 2HG2 ILE 2 -0.401 5.430 -4.314 13 HG23 ILE 2 3HG2 ILE 2 0.727 4.236 -3.656 14 HD11 ILE 2 3HD1 ILE 2 -2.017 5.707 -5.961 15 HD12 ILE 2 1HD1 ILE 2 -3.270 4.850 -6.874 16 HD13 ILE 2 2HD1 ILE 2 -3.319 4.848 -5.099 17 H VAL 3 H VAL 3 2.135 2.538 -4.614 18 HA VAL 3 HA VAL 3 2.629 2.466 -7.420 19 HB VAL 3 HB VAL 3 3.999 3.801 -5.893 20 HG11 VAL 3 1HG1 VAL 3 5.121 1.179 -4.818 21 HG12 VAL 3 2HG1 VAL 3 5.650 2.818 -4.386 22 HG13 VAL 3 3HG1 VAL 3 4.020 2.280 -3.940 23 HG21 VAL 3 3HG2 VAL 3 5.649 1.663 -7.309 24 HG22 VAL 3 1HG2 VAL 3 4.951 3.114 -8.064 25 HG23 VAL 3 2HG2 VAL 3 6.213 3.276 -6.819 26 H GLU 4 H GLU 4 2.873 -0.043 -4.909 27 HA GLU 4 HA GLU 4 4.293 -1.917 -6.575 28 HB2 GLU 4 1HB GLU 4 2.416 -2.355 -4.221 29 HB3 GLU 4 2HB GLU 4 3.371 -3.626 -4.986 30 HG2 GLU 4 1HG GLU 4 5.435 -2.454 -4.395 31 HG3 GLU 4 2HG GLU 4 4.494 -1.164 -3.625 32 HE2 GLU 4 HE2 GLU 4 3.462 -3.385 -1.083 33 H GLN 5 H GLN 5 0.850 -1.274 -5.901 34 HA GLN 5 HA GLN 5 -0.210 -3.447 -7.392 35 HB2 GLN 5 1HB GLN 5 -1.324 -0.712 -6.696 36 HB3 GLN 5 2HB GLN 5 -2.285 -1.991 -7.454 37 HG2 GLN 5 1HG GLN 5 -2.145 -3.391 -5.552 38 HG3 GLN 5 2HG GLN 5 -0.789 -2.488 -4.868 39 HE21 GLN 5 2HE2 GLN 5 -4.252 -2.265 -5.619 40 HE22 GLN 5 1HE2 GLN 5 -4.612 -1.134 -4.334 41 H CYS 6 H CYS 6 0.854 -0.205 -8.422 42 HA CYS 6 HA CYS 6 -0.125 -0.653 -11.147 43 HB2 CYS 6 1HB CYS 6 1.681 1.474 -9.955 44 HB3 CYS 6 2HB CYS 6 1.100 1.462 -11.622 45 H CYS 7 H CYS 7 2.870 -1.275 -9.398 46 HA CYS 7 HA CYS 7 4.437 -1.338 -11.870 47 HB2 CYS 7 1HB CYS 7 4.974 -1.292 -9.004 48 HB3 CYS 7 2HB CYS 7 5.957 -2.496 -9.834 49 H THR 8 H THR 8 3.709 -3.761 -9.288 50 HA THR 8 HA THR 8 4.879 -5.832 -10.986 51 HB THR 8 HB THR 8 5.103 -5.695 -8.437 52 HG1 THR 8 HG1 THR 8 4.236 -8.071 -9.748 53 HG21 THR 8 1HG2 THR 8 2.620 -5.430 -7.998 54 HG22 THR 8 2HG2 THR 8 3.428 -6.698 -7.064 55 HG23 THR 8 3HG2 THR 8 2.430 -7.129 -8.471 56 H SER 9 H SER 9 1.781 -4.479 -10.486 57 HA SER 9 HA SER 9 0.686 -6.521 -12.327 58 HB2 SER 9 1HB SER 9 -0.753 -5.513 -9.793 59 HB3 SER 9 2HB SER 9 -1.432 -6.627 -11.000 60 HG SER 9 HG SER 9 -0.625 -7.802 -9.256 61 H ILE 10 H ILE 10 -1.950 -5.319 -12.392 62 HA ILE 10 HA ILE 10 -1.130 -2.724 -13.622 63 HB ILE 10 HB ILE 10 -3.307 -4.601 -14.583 64 HG12 ILE 10 1HG1 ILE 10 -0.468 -4.080 -15.534 65 HG13 ILE 10 2HG1 ILE 10 -1.098 -5.585 -14.864 66 HG21 ILE 10 1HG2 ILE 10 -2.082 -2.112 -15.884 67 HG22 ILE 10 2HG2 ILE 10 -3.440 -3.085 -16.495 68 HG23 ILE 10 3HG2 ILE 10 -3.642 -2.125 -15.031 69 HD11 ILE 10 3HD1 ILE 10 -1.601 -4.378 -17.529 70 HD12 ILE 10 1HD1 ILE 10 -0.918 -5.959 -17.118 71 HD13 ILE 10 2HD1 ILE 10 -2.651 -5.649 -16.852 72 H CYS 11 H CYS 11 -1.866 -1.095 -12.427 73 HA CYS 11 HA CYS 11 -4.374 -1.395 -10.907 74 HB2 CYS 11 1HB CYS 11 -3.841 0.826 -10.047 75 HB3 CYS 11 2HB CYS 11 -2.450 -0.244 -9.889 76 H SER 12 H SER 12 -6.257 -0.149 -11.399 77 HA SER 12 HA SER 12 -6.553 0.320 -14.277 78 HB2 SER 12 1HB SER 12 -8.907 0.631 -13.777 79 HB3 SER 12 2HB SER 12 -8.315 -0.787 -12.886 80 HG SER 12 HG SER 12 -9.409 0.364 -11.401 81 H LEU 13 H LEU 13 -7.786 2.373 -14.981 82 HA LEU 13 HA LEU 13 -6.204 4.645 -14.355 83 HB2 LEU 13 1HB LEU 13 -7.684 5.899 -15.727 84 HB3 LEU 13 2HB LEU 13 -7.452 4.320 -16.456 85 HG LEU 13 HG LEU 13 -9.774 3.865 -15.112 86 HD11 LEU 13 1HD1 LEU 13 -9.968 6.184 -14.291 87 HD12 LEU 13 2HD1 LEU 13 -11.245 5.830 -15.466 88 HD13 LEU 13 3HD1 LEU 13 -9.836 6.798 -15.955 89 HD21 LEU 13 3HD2 LEU 13 -9.316 3.402 -17.483 90 HD22 LEU 13 1HD2 LEU 13 -9.480 5.135 -17.861 91 HD23 LEU 13 2HD2 LEU 13 -10.884 4.209 -17.281 92 H TYR 14 H TYR 14 -9.160 3.408 -12.887 93 HA TYR 14 HA TYR 14 -9.880 5.793 -11.485 94 HB2 TYR 14 1HB TYR 14 -10.330 2.936 -10.592 95 HB3 TYR 14 2HB TYR 14 -11.302 4.355 -10.192 96 HD1 TYR 14 HD2 TYR 14 -12.334 5.622 -12.337 97 HD2 TYR 14 HD1 TYR 14 -11.039 1.517 -12.298 98 HE1 TYR 14 HE2 TYR 14 -13.753 5.150 -14.336 99 HE2 TYR 14 HE1 TYR 14 -12.454 1.057 -14.309 100 HH TYR 14 HH TYR 14 -13.953 1.913 -15.818 101 H GLN 15 H GLN 15 -7.701 3.091 -10.793 102 HA GLN 15 HA GLN 15 -7.121 3.905 -8.072 103 HB2 GLN 15 1HB GLN 15 -5.549 2.176 -9.994 104 HB3 GLN 15 2HB GLN 15 -5.247 2.360 -8.260 105 HG2 GLN 15 1HG GLN 15 -7.808 1.695 -8.106 106 HG3 GLN 15 2HG GLN 15 -7.467 0.937 -9.667 107 HE21 GLN 15 2HE2 GLN 15 -7.213 0.740 -6.300 108 HE22 GLN 15 1HE2 GLN 15 -6.207 -0.670 -6.221 109 H LEU 16 H LEU 16 -5.736 4.508 -11.299 110 HA LEU 16 HA LEU 16 -3.417 5.905 -10.428 111 HB2 LEU 16 1HB LEU 16 -5.004 5.988 -12.985 112 HB3 LEU 16 2HB LEU 16 -3.583 6.993 -12.742 113 HG LEU 16 HG LEU 16 -3.551 3.967 -12.496 114 HD11 LEU 16 1HD1 LEU 16 -2.726 5.701 -14.849 115 HD12 LEU 16 2HD1 LEU 16 -4.131 4.612 -14.789 116 HD13 LEU 16 3HD1 LEU 16 -2.497 3.941 -14.703 117 HD21 LEU 16 3HD2 LEU 16 -1.705 5.073 -11.312 118 HD22 LEU 16 1HD2 LEU 16 -1.314 6.021 -12.763 119 HD23 LEU 16 2HD2 LEU 16 -1.103 4.254 -12.758 120 H GLU 17 H GLU 17 -6.765 7.041 -10.883 121 HA GLU 17 HA GLU 17 -6.279 9.831 -10.754 122 HB2 GLU 17 1HB GLU 17 -8.569 8.154 -9.687 123 HB3 GLU 17 2HB GLU 17 -8.574 9.915 -9.666 124 HG2 GLU 17 1HG GLU 17 -8.500 10.017 -12.072 125 HG3 GLU 17 2HG GLU 17 -8.267 8.272 -12.186 126 HE2 GLU 17 HE2 GLU 17 -10.337 10.341 -10.523 127 H ASN 18 H ASN 18 -6.014 7.445 -8.168 128 HA ASN 18 HA ASN 18 -6.269 9.272 -5.974 129 HB2 ASN 18 1HB ASN 18 -4.835 6.625 -6.206 130 HB3 ASN 18 2HB ASN 18 -4.998 7.526 -4.697 131 HD21 ASN 18 2HD2 ASN 18 -6.238 5.036 -6.346 132 HD22 ASN 18 1HD2 ASN 18 -7.882 5.073 -5.749 133 H TYR 19 H TYR 19 -3.599 8.675 -8.194 134 HA TYR 19 HA TYR 19 -1.507 9.751 -6.484 135 HB2 TYR 19 1HB TYR 19 -1.835 9.429 -9.463 136 HB3 TYR 19 2HB TYR 19 -0.400 10.159 -8.781 137 HD1 TYR 19 HD1 TYR 19 -2.258 6.988 -9.172 138 HD2 TYR 19 HD2 TYR 19 1.290 8.837 -7.616 139 HE1 TYR 19 HE1 TYR 19 -1.200 4.753 -8.960 140 HE2 TYR 19 HE2 TYR 19 2.352 6.581 -7.397 141 HH TYR 19 HH TYR 19 0.645 3.589 -8.392 142 H CYS 20 H CYS 20 -4.228 11.181 -8.006 143 HA CYS 20 HA CYS 20 -2.929 13.864 -8.041 144 HB2 CYS 20 1HB CYS 20 -5.665 13.018 -9.050 145 HB3 CYS 20 2HB CYS 20 -4.908 14.597 -9.262 146 H ASN 21 H ASN 21 -3.801 12.195 -5.651 147 HA ASN 21 HA ASN 21 -5.752 14.139 -4.460 148 HB2 ASN 21 1HB ASN 21 -6.664 11.778 -4.903 149 HB3 ASN 21 2HB ASN 21 -5.521 11.192 -3.698 150 HD21 ASN 21 2HD2 ASN 21 -8.580 11.546 -3.940 151 HD22 ASN 21 1HD2 ASN 21 -8.998 12.253 -2.402 152 HXT ASN 21 H02 ASN 21 -3.584 14.734 -2.052 153 H1 PHE 1 3H0 PHE 1 -7.959 5.097 -22.391 154 H2 PHE 1 2H0 PHE 1 -7.496 4.109 -23.628 155 H3 PHE 1 1H0 PHE 1 -8.551 3.561 -22.488 156 HA PHE 1 HA PHE 1 -5.730 4.268 -22.027 157 HB2 PHE 1 1HB PHE 1 -7.483 4.695 -20.175 158 HB3 PHE 1 2HB PHE 1 -7.633 2.936 -20.076 159 HD1 PHE 1 HD1 PHE 1 -5.237 5.792 -19.733 160 HD2 PHE 1 HD2 PHE 1 -6.003 1.635 -18.889 161 HE1 PHE 1 HE1 PHE 1 -3.244 5.730 -18.246 162 HE2 PHE 1 HE2 PHE 1 -4.008 1.568 -17.400 163 HZ PHE 1 HZ PHE 1 -2.617 3.609 -17.089 164 H VAL 2 H VAL 2 -4.396 2.310 -21.436 165 HA VAL 2 HA VAL 2 -5.555 -0.231 -22.471 166 HB VAL 2 HB VAL 2 -4.352 0.889 -24.379 167 HG11 VAL 2 1HG1 VAL 2 -1.911 1.165 -24.336 168 HG12 VAL 2 2HG1 VAL 2 -2.673 2.170 -23.089 169 HG13 VAL 2 3HG1 VAL 2 -1.864 0.652 -22.636 170 HG21 VAL 2 3HG2 VAL 2 -4.444 -1.591 -24.206 171 HG22 VAL 2 1HG2 VAL 2 -2.988 -1.014 -25.040 172 HG23 VAL 2 2HG2 VAL 2 -2.877 -1.575 -23.357 173 H ASN 3 H ASN 3 -4.629 -2.073 -21.445 174 HA ASN 3 HA ASN 3 -3.433 -1.419 -18.864 175 HB2 ASN 3 1HB ASN 3 -3.420 -3.823 -18.448 176 HB3 ASN 3 2HB ASN 3 -5.040 -3.253 -18.910 177 HD21 ASN 3 2HD2 ASN 3 -5.824 -3.821 -21.022 178 HD22 ASN 3 1HD2 ASN 3 -5.139 -5.187 -21.869 179 H GLN 4 H GLN 4 -1.439 -1.532 -18.242 180 HA GLN 4 HA GLN 4 0.448 -3.391 -19.393 181 HB2 GLN 4 1HB GLN 4 2.168 -1.577 -19.854 182 HB3 GLN 4 2HB GLN 4 0.870 -1.689 -21.047 183 HG2 GLN 4 1HG GLN 4 -0.276 0.226 -19.977 184 HG3 GLN 4 2HG GLN 4 1.051 0.351 -18.819 185 HE21 GLN 4 2HE2 GLN 4 0.151 0.623 -22.214 186 HE22 GLN 4 1HE2 GLN 4 1.479 1.666 -22.664 187 H HIS 5 H HIS 5 2.125 -3.639 -17.857 188 HA HIS 5 HA HIS 5 1.664 -2.640 -15.162 189 HB2 HIS 5 1HB HIS 5 4.136 -3.896 -16.432 190 HB3 HIS 5 2HB HIS 5 3.956 -3.538 -14.714 191 HD1 HIS 5 HD1 HIS 5 1.345 -4.633 -13.887 192 HD2 HIS 5 HD2 HIS 5 3.678 -6.575 -16.682 193 HE1 HIS 5 HE1 HIS 5 0.550 -7.070 -14.005 194 HE2 HIS 5 HE2 HIS 5 2.025 -8.225 -15.675 195 H LEU 6 H LEU 6 2.730 -0.930 -14.087 196 HA LEU 6 HA LEU 6 4.077 1.017 -15.930 197 HB2 LEU 6 1HB LEU 6 1.967 1.476 -13.810 198 HB3 LEU 6 2HB LEU 6 2.826 2.753 -14.654 199 HG LEU 6 HG LEU 6 1.052 0.736 -16.039 200 HD11 LEU 6 1HD1 LEU 6 -0.626 2.544 -16.089 201 HD12 LEU 6 2HD1 LEU 6 0.428 3.534 -15.050 202 HD13 LEU 6 3HD1 LEU 6 -0.257 2.011 -14.438 203 HD21 LEU 6 3HD2 LEU 6 2.274 3.372 -16.926 204 HD22 LEU 6 1HD2 LEU 6 1.048 2.478 -17.840 205 HD23 LEU 6 2HD2 LEU 6 2.641 1.752 -17.569 206 H CYS 7 H CYS 7 6.160 1.044 -15.235 207 HA CYS 7 HA CYS 7 6.562 1.939 -12.411 208 HB2 CYS 7 1HB CYS 7 8.376 0.149 -14.073 209 HB3 CYS 7 2HB CYS 7 8.778 0.816 -12.488 210 H GLY 8 H GLY 8 8.306 3.461 -12.132 211 HA2 GLY 8 1HA GLY 8 9.630 5.238 -12.771 212 HA3 GLY 8 2HA GLY 8 10.029 4.278 -14.204 213 H SER 9 H SER 9 10.000 5.744 -15.796 214 HA SER 9 HA SER 9 8.294 7.971 -16.015 215 HB2 SER 9 1HB SER 9 8.941 7.318 -18.610 216 HB3 SER 9 2HB SER 9 9.996 8.205 -17.482 217 HG SER 9 HG SER 9 11.111 6.431 -18.315 218 H HIS 10 H HIS 10 7.660 4.588 -16.910 219 HA HIS 10 HA HIS 10 5.498 5.134 -18.729 220 HB2 HIS 10 1HB HIS 10 6.352 2.796 -17.065 221 HB3 HIS 10 2HB HIS 10 4.695 2.821 -17.646 222 HD1 HIS 10 HD1 HIS 10 4.257 2.007 -19.984 223 HD2 HIS 10 HD2 HIS 10 8.301 2.950 -19.315 224 HE1 HIS 10 HE1 HIS 10 5.538 1.284 -22.043 225 HE2 HIS 10 HE2 HIS 10 7.977 1.853 -21.638 226 H LEU 11 H LEU 11 5.646 4.812 -15.174 227 HA LEU 11 HA LEU 11 2.800 4.911 -14.790 228 HB2 LEU 11 1HB LEU 11 4.453 4.085 -13.125 229 HB3 LEU 11 2HB LEU 11 5.069 5.719 -12.939 230 HG LEU 11 HG LEU 11 2.948 6.449 -11.955 231 HD11 LEU 11 1HD1 LEU 11 1.357 4.964 -13.049 232 HD12 LEU 11 2HD1 LEU 11 1.255 4.751 -11.294 233 HD13 LEU 11 3HD1 LEU 11 2.110 3.542 -12.281 234 HD21 LEU 11 3HD2 LEU 11 4.770 5.549 -10.551 235 HD22 LEU 11 1HD2 LEU 11 4.075 3.912 -10.697 236 HD23 LEU 11 2HD2 LEU 11 3.174 5.197 -9.854 237 H VAL 12 H VAL 12 5.367 7.368 -14.889 238 HA VAL 12 HA VAL 12 3.731 9.589 -14.165 239 HB VAL 12 HB VAL 12 6.230 9.490 -15.921 240 HG11 VAL 12 1HG1 VAL 12 5.045 11.812 -14.370 241 HG12 VAL 12 2HG1 VAL 12 6.559 11.830 -15.301 242 HG13 VAL 12 3HG1 VAL 12 5.009 11.620 -16.138 243 HG21 VAL 12 3HG2 VAL 12 5.901 9.869 -12.912 244 HG22 VAL 12 1HG2 VAL 12 6.661 8.486 -13.728 245 HG23 VAL 12 2HG2 VAL 12 7.426 10.081 -13.802 246 H GLU 13 H GLU 13 4.575 8.204 -17.383 247 HA GLU 13 HA GLU 13 3.102 10.175 -18.870 248 HB2 GLU 13 1HB GLU 13 4.011 7.356 -19.503 249 HB3 GLU 13 2HB GLU 13 3.148 8.369 -20.670 250 HG2 GLU 13 1HG GLU 13 5.792 9.076 -19.357 251 HG3 GLU 13 2HG GLU 13 5.587 8.462 -21.003 252 HE2 GLU 13 HE2 GLU 13 5.375 12.222 -20.370 253 H ALA 14 H ALA 14 2.153 7.154 -17.293 254 HA ALA 14 HA ALA 14 -0.426 7.003 -18.589 255 HB1 ALA 14 3HB ALA 14 -0.982 5.453 -16.762 256 HB2 ALA 14 1HB ALA 14 0.617 5.084 -17.447 257 HB3 ALA 14 2HB ALA 14 0.491 5.936 -15.891 258 H LEU 15 H LEU 15 0.821 8.511 -15.599 259 HA LEU 15 HA LEU 15 -1.733 9.381 -14.652 260 HB2 LEU 15 1HB LEU 15 1.102 10.295 -14.140 261 HB3 LEU 15 2HB LEU 15 -0.283 11.072 -13.380 262 HG LEU 15 HG LEU 15 0.366 8.129 -13.073 263 HD11 LEU 15 1HD1 LEU 15 0.843 10.390 -11.115 264 HD12 LEU 15 2HD1 LEU 15 2.107 9.567 -12.061 265 HD13 LEU 15 3HD1 LEU 15 1.171 8.662 -10.854 266 HD21 LEU 15 3HD2 LEU 15 -1.582 9.956 -11.666 267 HD22 LEU 15 1HD2 LEU 15 -1.252 8.259 -11.247 268 HD23 LEU 15 2HD2 LEU 15 -1.993 8.650 -12.797 269 H TYR 16 H TYR 16 0.571 10.852 -16.927 270 HA TYR 16 HA TYR 16 -0.633 13.433 -17.054 271 HB2 TYR 16 1HB TYR 16 0.931 11.726 -18.977 272 HB3 TYR 16 2HB TYR 16 0.061 13.122 -19.608 273 HD1 TYR 16 HD1 TYR 16 0.494 15.430 -18.511 274 HD2 TYR 16 HD2 TYR 16 3.093 12.039 -18.002 275 HE1 TYR 16 HE1 TYR 16 2.355 16.948 -17.825 276 HE2 TYR 16 HE2 TYR 16 4.954 13.570 -17.347 277 HH TYR 16 HH TYR 16 5.590 15.730 -16.951 278 H LEU 17 H LEU 17 -1.475 10.363 -18.699 279 HA LEU 17 HA LEU 17 -3.572 11.589 -20.262 280 HB2 LEU 17 1HB LEU 17 -3.160 8.702 -19.431 281 HB3 LEU 17 2HB LEU 17 -4.310 9.273 -20.631 282 HG LEU 17 HG LEU 17 -1.296 9.560 -20.880 283 HD11 LEU 17 1HD1 LEU 17 -3.176 7.521 -22.130 284 HD12 LEU 17 2HD1 LEU 17 -1.981 7.196 -20.850 285 HD13 LEU 17 3HD1 LEU 17 -1.436 7.689 -22.466 286 HD21 LEU 17 3HD2 LEU 17 -2.497 11.223 -22.214 287 HD22 LEU 17 1HD2 LEU 17 -3.546 9.957 -22.897 288 HD23 LEU 17 2HD2 LEU 17 -1.806 9.984 -23.276 289 H VAL 18 H VAL 18 -3.557 9.823 -17.149 290 HA VAL 18 HA VAL 18 -6.453 9.672 -17.059 291 HB VAL 18 HB VAL 18 -4.347 9.250 -14.886 292 HG11 VAL 18 1HG1 VAL 18 -6.153 8.000 -13.695 293 HG12 VAL 18 2HG1 VAL 18 -6.489 9.733 -13.822 294 HG13 VAL 18 3HG1 VAL 18 -7.324 8.588 -14.898 295 HG21 VAL 18 3HG2 VAL 18 -4.152 7.680 -16.736 296 HG22 VAL 18 1HG2 VAL 18 -4.824 6.853 -15.327 297 HG23 VAL 18 2HG2 VAL 18 -5.888 7.327 -16.666 298 H CYS 19 H CYS 19 -4.011 11.808 -15.543 299 HA CYS 19 HA CYS 19 -6.200 13.251 -14.206 300 HB2 CYS 19 1HB CYS 19 -3.526 12.860 -13.598 301 HB3 CYS 19 2HB CYS 19 -3.603 14.562 -14.098 302 H GLY 20 H GLY 20 -4.510 13.418 -17.238 303 HA2 GLY 20 1HA GLY 20 -4.877 14.859 -18.990 304 HA3 GLY 20 2HA GLY 20 -6.235 15.544 -18.086 305 H GLU 21 H GLU 21 -5.691 17.593 -18.878 306 HA GLU 21 HA GLU 21 -3.151 18.823 -18.544 307 HB2 GLU 21 1HB GLU 21 -5.876 20.150 -18.755 308 HB3 GLU 21 2HB GLU 21 -4.312 20.908 -19.069 309 HG2 GLU 21 1HG GLU 21 -5.629 18.692 -20.676 310 HG3 GLU 21 2HG GLU 21 -5.369 20.368 -21.177 311 HE2 GLU 21 HE2 GLU 21 -3.083 20.916 -20.747 312 H ARG 22 H ARG 22 -5.298 18.012 -16.074 313 HA ARG 22 HA ARG 22 -5.068 20.378 -14.410 314 HB2 ARG 22 1HB ARG 22 -5.618 17.463 -13.740 315 HB3 ARG 22 2HB ARG 22 -5.738 18.793 -12.584 316 HG2 ARG 22 1HG ARG 22 -7.533 19.819 -13.865 317 HG3 ARG 22 2HG ARG 22 -7.400 18.568 -15.118 318 HD2 ARG 22 1HD ARG 22 -8.038 17.986 -12.206 319 HD3 ARG 22 2HD ARG 22 -9.266 18.213 -13.470 320 HE ARG 22 HE ARG 22 -7.412 16.260 -14.378 321 HH11 ARG 22 1HH1 ARG 22 -9.896 16.555 -11.879 322 HH12 ARG 22 2HH1 ARG 22 -10.248 14.850 -11.901 323 HH21 ARG 22 1HH2 ARG 22 -7.929 14.117 -14.366 324 HH22 ARG 22 2HH2 ARG 22 -9.150 13.490 -13.294 325 H GLY 23 H GLY 23 -2.962 17.700 -15.151 326 HA2 GLY 23 1HA GLY 23 -0.730 17.449 -14.488 327 HA3 GLY 23 2HA GLY 23 -0.919 18.792 -13.339 328 H PHE 24 H PHE 24 0.400 16.835 -12.239 329 HA PHE 24 HA PHE 24 -1.351 15.671 -10.230 330 HB2 PHE 24 1HB PHE 24 -0.746 13.332 -10.708 331 HB3 PHE 24 2HB PHE 24 -1.678 14.026 -12.034 332 HD1 PHE 24 HD1 PHE 24 -0.634 14.580 -14.176 333 HD2 PHE 24 HD2 PHE 24 1.575 12.698 -11.016 334 HE1 PHE 24 HE1 PHE 24 1.155 13.994 -15.779 335 HE2 PHE 24 HE2 PHE 24 3.357 12.071 -12.622 336 HZ PHE 24 HZ PHE 24 3.147 12.734 -15.027 337 H PHE 25 H PHE 25 0.302 14.055 -8.941 338 HA PHE 25 HA PHE 25 3.055 15.150 -9.117 339 HB2 PHE 25 1HB PHE 25 3.188 15.472 -6.725 340 HB3 PHE 25 2HB PHE 25 1.846 16.435 -7.349 341 HD1 PHE 25 HD1 PHE 25 -0.488 15.850 -6.801 342 HD2 PHE 25 HD2 PHE 25 2.808 13.540 -5.274 343 HE1 PHE 25 HE1 PHE 25 -2.010 14.779 -5.142 344 HE2 PHE 25 HE2 PHE 25 1.293 12.459 -3.624 345 HZ PHE 25 HZ PHE 25 -1.118 13.071 -3.560 346 H TYR 26 H TYR 26 4.517 13.736 -7.689 347 HA TYR 26 HA TYR 26 3.478 10.971 -7.420 348 HB2 TYR 26 1HB TYR 26 4.616 11.069 -9.622 349 HB3 TYR 26 2HB TYR 26 6.062 11.736 -8.846 350 HD1 TYR 26 HD1 TYR 26 3.784 8.732 -8.765 351 HD2 TYR 26 HD2 TYR 26 7.741 10.269 -8.019 352 HE1 TYR 26 HE1 TYR 26 4.597 6.429 -8.269 353 HE2 TYR 26 HE2 TYR 26 8.544 7.951 -7.553 354 HH TYR 26 HH TYR 26 6.364 5.125 -7.697 355 H THR 27 H THR 27 4.724 9.787 -5.830 356 HA THR 27 HA THR 27 6.251 11.600 -4.023 357 HB THR 27 HB THR 27 4.281 11.294 -2.858 358 HG1 THR 27 HG1 THR 27 6.017 10.606 -1.564 359 HG21 THR 27 1HG2 THR 27 3.093 9.778 -4.237 360 HG22 THR 27 2HG2 THR 27 3.201 9.010 -2.641 361 HG23 THR 27 3HG2 THR 27 4.275 8.476 -3.954 362 HA PRO 28 HA PRO 28 9.156 8.162 -4.853 363 HB2 PRO 28 1HB PRO 28 11.397 9.664 -5.091 364 HB3 PRO 28 2HB PRO 28 10.197 9.585 -6.420 365 HG2 PRO 28 1HG PRO 28 10.565 11.690 -4.311 366 HG3 PRO 28 2HG PRO 28 10.341 11.887 -6.077 367 HD2 PRO 28 1HD PRO 28 8.306 12.119 -4.226 368 HD3 PRO 28 2HD PRO 28 8.028 11.594 -5.920 369 H LYS 29 H LYS 29 11.291 7.681 -3.527 370 HA LYS 29 HA LYS 29 11.365 9.068 -0.935 371 HB2 LYS 29 1HB LYS 29 11.243 7.081 0.339 372 HB3 LYS 29 2HB LYS 29 9.839 7.041 -0.720 373 HG2 LYS 29 1HG LYS 29 11.091 5.462 -2.217 374 HG3 LYS 29 2HG LYS 29 12.439 5.495 -1.063 375 HD2 LYS 29 1HD LYS 29 10.738 4.748 0.707 376 HD3 LYS 29 2HD LYS 29 9.663 4.371 -0.657 377 HE2 LYS 29 1HE LYS 29 12.454 3.246 -0.138 378 HE3 LYS 29 2HE LYS 29 10.921 2.370 0.025 379 HZ1 LYS 29 3HZ LYS 29 12.020 1.854 -2.059 380 HZ2 LYS 29 1HZ LYS 29 12.040 3.440 -2.506 381 HZ3 LYS 29 2HZ LYS 29 10.604 2.639 -2.371 382 H THR 30 H THR 30 13.421 8.701 0.128 383 HA THR 30 HA THR 30 15.565 7.807 -1.751 384 HB THR 30 HB THR 30 17.027 9.269 -0.244 385 HG1 THR 30 HG1 THR 30 15.758 10.834 0.955 386 HG21 THR 30 1HG2 THR 30 14.685 10.686 -1.676 387 HG22 THR 30 2HG2 THR 30 16.141 10.075 -2.486 388 HG23 THR 30 3HG2 THR 30 16.270 11.391 -1.311 389 HXT THR 30 H02 THR 30 15.618 6.246 1.804 Start of MODEL 13 1 H1 GLY 1 3H0 GLY 1 3.044 -0.425 -1.483 2 H2 GLY 1 2H0 GLY 1 2.700 0.074 0.053 3 H3 GLY 1 1H0 GLY 1 1.480 -0.385 -0.961 4 HA2 GLY 1 1HA GLY 1 1.555 1.999 -0.752 5 HA3 GLY 1 2HA GLY 1 3.230 1.949 -1.339 6 H ILE 2 H ILE 2 0.941 3.354 -2.566 7 HA ILE 2 HA ILE 2 -0.271 1.765 -4.546 8 HB ILE 2 HB ILE 2 -1.072 3.986 -3.692 9 HG12 ILE 2 1HG1 ILE 2 -0.883 3.750 -6.710 10 HG13 ILE 2 2HG1 ILE 2 -1.985 2.833 -5.687 11 HG21 ILE 2 1HG2 ILE 2 1.103 5.232 -3.861 12 HG22 ILE 2 2HG2 ILE 2 0.951 5.213 -5.634 13 HG23 ILE 2 3HG2 ILE 2 -0.236 6.083 -4.643 14 HD11 ILE 2 3HD1 ILE 2 -3.024 5.004 -4.941 15 HD12 ILE 2 1HD1 ILE 2 -1.992 5.852 -6.125 16 HD13 ILE 2 2HD1 ILE 2 -3.197 4.673 -6.680 17 H VAL 3 H VAL 3 2.833 3.481 -4.658 18 HA VAL 3 HA VAL 3 3.184 3.288 -7.478 19 HB VAL 3 HB VAL 3 5.334 3.247 -5.308 20 HG11 VAL 3 1HG1 VAL 3 6.769 4.233 -7.130 21 HG12 VAL 3 2HG1 VAL 3 6.245 2.570 -7.487 22 HG13 VAL 3 3HG1 VAL 3 5.446 3.942 -8.285 23 HG21 VAL 3 3HG2 VAL 3 4.005 5.578 -6.763 24 HG22 VAL 3 1HG2 VAL 3 3.896 5.210 -5.023 25 HG23 VAL 3 2HG2 VAL 3 5.446 5.717 -5.729 26 H GLU 4 H GLU 4 4.014 1.049 -4.796 27 HA GLU 4 HA GLU 4 5.302 -0.878 -6.501 28 HB2 GLU 4 1HB GLU 4 3.936 -1.145 -3.800 29 HB3 GLU 4 2HB GLU 4 4.726 -2.487 -4.628 30 HG2 GLU 4 1HG GLU 4 6.322 -1.706 -3.127 31 HG3 GLU 4 2HG GLU 4 6.813 -1.072 -4.703 32 HE2 GLU 4 HE2 GLU 4 7.151 1.889 -3.121 33 H GLN 5 H GLN 5 1.949 -0.451 -5.350 34 HA GLN 5 HA GLN 5 0.937 -2.900 -6.364 35 HB2 GLN 5 1HB GLN 5 -0.365 -0.199 -5.906 36 HB3 GLN 5 2HB GLN 5 -1.272 -1.653 -6.340 37 HG2 GLN 5 1HG GLN 5 -0.894 -2.680 -4.283 38 HG3 GLN 5 2HG GLN 5 0.590 -1.773 -3.977 39 HE21 GLN 5 2HE2 GLN 5 -2.778 -0.788 -4.717 40 HE22 GLN 5 1HE2 GLN 5 -2.929 0.260 -3.327 41 H CYS 6 H CYS 6 1.376 0.283 -7.985 42 HA CYS 6 HA CYS 6 0.147 -0.773 -10.428 43 HB2 CYS 6 1HB CYS 6 1.778 1.752 -9.994 44 HB3 CYS 6 2HB CYS 6 0.808 1.362 -11.419 45 H CYS 7 H CYS 7 3.377 -0.585 -9.076 46 HA CYS 7 HA CYS 7 4.774 -0.898 -11.567 47 HB2 CYS 7 1HB CYS 7 5.724 -0.016 -9.410 48 HB3 CYS 7 2HB CYS 7 5.667 -1.657 -8.766 49 H THR 8 H THR 8 3.979 -3.170 -8.899 50 HA THR 8 HA THR 8 4.981 -5.407 -10.499 51 HB THR 8 HB THR 8 5.452 -5.060 -8.028 52 HG1 THR 8 HG1 THR 8 4.368 -7.489 -9.047 53 HG21 THR 8 1HG2 THR 8 3.904 -5.594 -6.384 54 HG22 THR 8 2HG2 THR 8 2.831 -6.456 -7.512 55 HG23 THR 8 3HG2 THR 8 2.902 -4.683 -7.526 56 H SER 9 H SER 9 1.866 -3.999 -9.926 57 HA SER 9 HA SER 9 0.689 -6.301 -11.362 58 HB2 SER 9 1HB SER 9 -1.269 -6.307 -9.731 59 HB3 SER 9 2HB SER 9 0.252 -6.934 -9.079 60 HG SER 9 HG SER 9 -0.191 -4.207 -8.710 61 H ILE 10 H ILE 10 -1.985 -5.491 -11.392 62 HA ILE 10 HA ILE 10 -1.547 -3.321 -13.341 63 HB ILE 10 HB ILE 10 -4.014 -5.037 -12.788 64 HG12 ILE 10 1HG1 ILE 10 -2.060 -6.342 -13.617 65 HG13 ILE 10 2HG1 ILE 10 -3.456 -6.364 -14.686 66 HG21 ILE 10 1HG2 ILE 10 -4.764 -4.240 -15.061 67 HG22 ILE 10 2HG2 ILE 10 -4.725 -2.965 -13.835 68 HG23 ILE 10 3HG2 ILE 10 -3.421 -3.064 -15.047 69 HD11 ILE 10 3HD1 ILE 10 -1.255 -6.145 -15.866 70 HD12 ILE 10 1HD1 ILE 10 -2.407 -4.856 -16.245 71 HD13 ILE 10 2HD1 ILE 10 -1.064 -4.542 -15.125 72 H CYS 11 H CYS 11 -2.083 -1.272 -13.037 73 HA CYS 11 HA CYS 11 -4.239 -0.629 -11.058 74 HB2 CYS 11 1HB CYS 11 -1.879 0.980 -12.078 75 HB3 CYS 11 2HB CYS 11 -3.311 1.752 -11.386 76 H SER 12 H SER 12 -6.115 -0.278 -12.043 77 HA SER 12 HA SER 12 -6.270 0.265 -14.920 78 HB2 SER 12 1HB SER 12 -8.693 0.382 -14.499 79 HB3 SER 12 2HB SER 12 -8.005 -1.063 -13.725 80 HG SER 12 HG SER 12 -9.234 -0.148 -12.176 81 H LEU 13 H LEU 13 -7.618 2.293 -15.585 82 HA LEU 13 HA LEU 13 -6.194 4.591 -14.794 83 HB2 LEU 13 1HB LEU 13 -7.708 5.852 -16.113 84 HB3 LEU 13 2HB LEU 13 -7.432 4.316 -16.914 85 HG LEU 13 HG LEU 13 -9.736 3.753 -15.550 86 HD11 LEU 13 1HD1 LEU 13 -9.866 6.692 -16.358 87 HD12 LEU 13 2HD1 LEU 13 -9.989 6.047 -14.703 88 HD13 LEU 13 3HD1 LEU 13 -11.255 5.687 -15.889 89 HD21 LEU 13 3HD2 LEU 13 -9.489 5.047 -18.290 90 HD22 LEU 13 1HD2 LEU 13 -10.871 4.091 -17.704 91 HD23 LEU 13 2HD2 LEU 13 -9.289 3.315 -17.919 92 H TYR 14 H TYR 14 -9.115 3.191 -13.396 93 HA TYR 14 HA TYR 14 -9.920 5.491 -11.908 94 HB2 TYR 14 1HB TYR 14 -10.300 2.588 -11.149 95 HB3 TYR 14 2HB TYR 14 -11.328 3.960 -10.718 96 HD1 TYR 14 HD1 TYR 14 -12.387 5.263 -12.807 97 HD2 TYR 14 HD2 TYR 14 -10.857 1.241 -12.969 98 HE1 TYR 14 HE1 TYR 14 -13.716 4.835 -14.878 99 HE2 TYR 14 HE2 TYR 14 -12.186 0.827 -15.049 100 HH TYR 14 HH TYR 14 -13.693 1.685 -16.548 101 H GLN 15 H GLN 15 -7.671 2.830 -11.243 102 HA GLN 15 HA GLN 15 -7.206 3.565 -8.469 103 HB2 GLN 15 1HB GLN 15 -5.537 1.938 -10.408 104 HB3 GLN 15 2HB GLN 15 -5.280 2.066 -8.660 105 HG2 GLN 15 1HG GLN 15 -7.885 1.365 -8.681 106 HG3 GLN 15 2HG GLN 15 -7.376 0.594 -10.191 107 HE21 GLN 15 2HE2 GLN 15 -7.725 0.194 -6.938 108 HE22 GLN 15 1HE2 GLN 15 -6.571 -1.083 -6.687 109 H LEU 16 H LEU 16 -5.827 4.362 -11.618 110 HA LEU 16 HA LEU 16 -3.535 5.764 -10.628 111 HB2 LEU 16 1HB LEU 16 -5.020 5.948 -13.249 112 HB3 LEU 16 2HB LEU 16 -3.517 6.793 -12.910 113 HG LEU 16 HG LEU 16 -3.856 3.775 -12.835 114 HD11 LEU 16 1HD1 LEU 16 -2.651 3.750 -14.922 115 HD12 LEU 16 2HD1 LEU 16 -2.526 5.527 -14.917 116 HD13 LEU 16 3HD1 LEU 16 -4.108 4.731 -15.092 117 HD21 LEU 16 3HD2 LEU 16 -2.037 4.460 -11.375 118 HD22 LEU 16 1HD2 LEU 16 -1.378 5.527 -12.637 119 HD23 LEU 16 2HD2 LEU 16 -1.362 3.762 -12.853 120 H GLU 17 H GLU 17 -6.908 6.755 -11.100 121 HA GLU 17 HA GLU 17 -6.521 9.568 -10.973 122 HB2 GLU 17 1HB GLU 17 -8.779 7.806 -9.987 123 HB3 GLU 17 2HB GLU 17 -8.840 9.564 -9.916 124 HG2 GLU 17 1HG GLU 17 -8.703 9.742 -12.316 125 HG3 GLU 17 2HG GLU 17 -8.425 8.008 -12.474 126 HE2 GLU 17 HE2 GLU 17 -10.588 9.999 -10.830 127 H ASN 18 H ASN 18 -6.041 7.208 -8.433 128 HA ASN 18 HA ASN 18 -6.442 8.973 -6.197 129 HB2 ASN 18 1HB ASN 18 -4.769 6.482 -6.561 130 HB3 ASN 18 2HB ASN 18 -4.897 7.342 -5.022 131 HD21 ASN 18 2HD2 ASN 18 -6.106 4.846 -6.784 132 HD22 ASN 18 1HD2 ASN 18 -7.667 4.693 -6.002 133 H TYR 19 H TYR 19 -3.823 8.661 -8.513 134 HA TYR 19 HA TYR 19 -1.760 9.899 -6.861 135 HB2 TYR 19 1HB TYR 19 -2.109 9.390 -9.809 136 HB3 TYR 19 2HB TYR 19 -0.686 10.188 -9.180 137 HD1 TYR 19 HD2 TYR 19 -2.504 6.952 -9.263 138 HD2 TYR 19 HD1 TYR 19 1.077 9.004 -8.079 139 HE1 TYR 19 HE2 TYR 19 -1.375 4.769 -8.966 140 HE2 TYR 19 HE1 TYR 19 2.214 6.814 -7.770 141 HH TYR 19 HH TYR 19 0.577 3.702 -8.380 142 H CYS 20 H CYS 20 -4.553 11.133 -8.421 143 HA CYS 20 HA CYS 20 -3.478 13.714 -9.258 144 HB2 CYS 20 1HB CYS 20 -6.049 12.335 -9.219 145 HB3 CYS 20 2HB CYS 20 -6.217 13.973 -8.621 146 H ASN 21 H ASN 21 -3.128 15.452 -7.964 147 HA ASN 21 HA ASN 21 -2.848 16.756 -6.128 148 HB2 ASN 21 1HB ASN 21 -5.191 17.209 -6.123 149 HB3 ASN 21 2HB ASN 21 -5.582 15.648 -5.416 150 HD21 ASN 21 2HD2 ASN 21 -4.110 18.804 -4.787 151 HD22 ASN 21 1HD2 ASN 21 -4.268 18.704 -3.054 152 HXT ASN 21 H02 ASN 21 -3.933 13.814 -4.966 153 H1 PHE 1 3H0 PHE 1 -7.700 3.562 -23.734 154 H2 PHE 1 2H0 PHE 1 -8.786 3.424 -22.503 155 H3 PHE 1 1H0 PHE 1 -7.976 4.844 -22.731 156 HA PHE 1 HA PHE 1 -5.875 3.782 -22.205 157 HB2 PHE 1 1HB PHE 1 -7.421 4.863 -20.470 158 HB3 PHE 1 2HB PHE 1 -7.947 3.229 -20.051 159 HD1 PHE 1 HD1 PHE 1 -5.030 5.546 -20.126 160 HD2 PHE 1 HD2 PHE 1 -6.575 1.794 -18.671 161 HE1 PHE 1 HE1 PHE 1 -3.064 5.323 -18.621 162 HE2 PHE 1 HE2 PHE 1 -4.606 1.568 -17.163 163 HZ PHE 1 HZ PHE 1 -2.844 3.326 -17.152 164 H VAL 2 H VAL 2 -4.798 1.818 -21.303 165 HA VAL 2 HA VAL 2 -6.414 -0.656 -21.548 166 HB VAL 2 HB VAL 2 -5.293 -0.279 -23.780 167 HG11 VAL 2 1HG1 VAL 2 -2.878 -0.466 -24.024 168 HG12 VAL 2 2HG1 VAL 2 -3.255 0.899 -22.953 169 HG13 VAL 2 3HG1 VAL 2 -2.674 -0.639 -22.269 170 HG21 VAL 2 3HG2 VAL 2 -4.381 -2.527 -24.012 171 HG22 VAL 2 1HG2 VAL 2 -4.170 -2.665 -22.253 172 HG23 VAL 2 2HG2 VAL 2 -5.807 -2.566 -22.956 173 H ASN 3 H ASN 3 -5.737 -2.247 -20.103 174 HA ASN 3 HA ASN 3 -4.250 -1.311 -17.821 175 HB2 ASN 3 1HB ASN 3 -5.228 -4.050 -18.691 176 HB3 ASN 3 2HB ASN 3 -4.320 -3.779 -17.202 177 HD21 ASN 3 2HD2 ASN 3 -7.078 -4.742 -17.584 178 HD22 ASN 3 1HD2 ASN 3 -8.094 -3.625 -16.706 179 H GLN 4 H GLN 4 -2.174 -1.540 -17.288 180 HA GLN 4 HA GLN 4 -0.538 -3.683 -18.351 181 HB2 GLN 4 1HB GLN 4 1.193 -2.202 -19.306 182 HB3 GLN 4 2HB GLN 4 -0.317 -2.048 -20.209 183 HG2 GLN 4 1HG GLN 4 -0.818 0.039 -18.882 184 HG3 GLN 4 2HG GLN 4 0.799 -0.096 -18.182 185 HE21 GLN 4 2HE2 GLN 4 -0.977 0.240 -21.225 186 HE22 GLN 4 1HE2 GLN 4 0.294 1.092 -22.071 187 H HIS 5 H HIS 5 1.347 -3.777 -17.054 188 HA HIS 5 HA HIS 5 1.190 -2.580 -14.403 189 HB2 HIS 5 1HB HIS 5 3.558 -3.882 -15.824 190 HB3 HIS 5 2HB HIS 5 3.465 -3.495 -14.102 191 HD1 HIS 5 HD1 HIS 5 0.895 -4.622 -13.150 192 HD2 HIS 5 HD2 HIS 5 3.201 -6.575 -15.988 193 HE1 HIS 5 HE1 HIS 5 0.208 -7.097 -13.122 194 HE2 HIS 5 HE2 HIS 5 1.641 -8.253 -14.839 195 H LEU 6 H LEU 6 2.327 -0.774 -13.648 196 HA LEU 6 HA LEU 6 3.638 0.909 -15.754 197 HB2 LEU 6 1HB LEU 6 1.452 1.617 -13.780 198 HB3 LEU 6 2HB LEU 6 2.421 2.823 -14.611 199 HG LEU 6 HG LEU 6 0.746 0.786 -16.081 200 HD11 LEU 6 1HD1 LEU 6 -0.708 2.084 -14.657 201 HD12 LEU 6 2HD1 LEU 6 -0.898 2.592 -16.342 202 HD13 LEU 6 3HD1 LEU 6 0.044 3.598 -15.215 203 HD21 LEU 6 3HD2 LEU 6 2.478 1.780 -17.456 204 HD22 LEU 6 1HD2 LEU 6 2.039 3.412 -16.892 205 HD23 LEU 6 2HD2 LEU 6 0.919 2.485 -17.909 206 H CYS 7 H CYS 7 5.669 1.247 -15.100 207 HA CYS 7 HA CYS 7 6.078 2.092 -12.280 208 HB2 CYS 7 1HB CYS 7 6.532 -0.460 -12.860 209 HB3 CYS 7 2HB CYS 7 8.021 0.181 -13.561 210 H GLY 8 H GLY 8 8.043 3.354 -12.019 211 HA2 GLY 8 1HA GLY 8 9.612 4.896 -12.734 212 HA3 GLY 8 2HA GLY 8 9.836 3.871 -14.164 213 H SER 9 H SER 9 9.965 5.444 -15.717 214 HA SER 9 HA SER 9 8.341 7.736 -15.890 215 HB2 SER 9 1HB SER 9 9.089 6.677 -18.490 216 HB3 SER 9 2HB SER 9 9.718 8.099 -17.623 217 HG SER 9 HG SER 9 11.388 6.622 -17.859 218 H HIS 10 H HIS 10 7.620 4.400 -16.906 219 HA HIS 10 HA HIS 10 5.518 5.032 -18.741 220 HB2 HIS 10 1HB HIS 10 6.472 2.665 -17.300 221 HB3 HIS 10 2HB HIS 10 4.713 2.690 -17.427 222 HD1 HIS 10 HD1 HIS 10 3.663 2.092 -19.707 223 HD2 HIS 10 HD2 HIS 10 7.822 2.661 -19.851 224 HE1 HIS 10 HE1 HIS 10 4.431 1.381 -22.022 225 HE2 HIS 10 HE2 HIS 10 6.936 1.735 -22.102 226 H LEU 11 H LEU 11 5.574 4.730 -15.195 227 HA LEU 11 HA LEU 11 2.713 4.865 -14.890 228 HB2 LEU 11 1HB LEU 11 4.251 3.985 -13.173 229 HB3 LEU 11 2HB LEU 11 4.975 5.573 -12.988 230 HG LEU 11 HG LEU 11 2.991 6.455 -11.956 231 HD11 LEU 11 1HD1 LEU 11 1.723 3.730 -12.419 232 HD12 LEU 11 2HD1 LEU 11 1.219 5.271 -13.160 233 HD13 LEU 11 3HD1 LEU 11 1.047 5.030 -11.414 234 HD21 LEU 11 3HD2 LEU 11 3.040 5.131 -9.923 235 HD22 LEU 11 1HD2 LEU 11 4.663 5.138 -10.640 236 HD23 LEU 11 2HD2 LEU 11 3.627 3.704 -10.812 237 H VAL 12 H VAL 12 5.333 7.294 -14.802 238 HA VAL 12 HA VAL 12 3.670 9.515 -14.173 239 HB VAL 12 HB VAL 12 6.255 9.441 -15.806 240 HG11 VAL 12 1HG1 VAL 12 4.968 11.720 -14.256 241 HG12 VAL 12 2HG1 VAL 12 6.543 11.772 -15.080 242 HG13 VAL 12 3HG1 VAL 12 5.055 11.580 -16.027 243 HG21 VAL 12 3HG2 VAL 12 5.778 9.718 -12.809 244 HG22 VAL 12 1HG2 VAL 12 6.601 8.379 -13.638 245 HG23 VAL 12 2HG2 VAL 12 7.342 9.989 -13.610 246 H GLU 13 H GLU 13 4.665 8.128 -17.327 247 HA GLU 13 HA GLU 13 3.422 10.129 -18.956 248 HB2 GLU 13 1HB GLU 13 4.087 7.205 -19.421 249 HB3 GLU 13 2HB GLU 13 3.452 8.257 -20.690 250 HG2 GLU 13 1HG GLU 13 5.393 9.668 -20.618 251 HG3 GLU 13 2HG GLU 13 5.994 8.880 -19.158 252 HE2 GLU 13 HE2 GLU 13 7.341 7.631 -22.410 253 H ALA 14 H ALA 14 2.197 7.171 -17.427 254 HA ALA 14 HA ALA 14 -0.320 7.207 -18.870 255 HB1 ALA 14 3HB ALA 14 0.471 5.892 -16.241 256 HB2 ALA 14 1HB ALA 14 -1.012 5.553 -17.165 257 HB3 ALA 14 2HB ALA 14 0.580 5.159 -17.858 258 H LEU 15 H LEU 15 0.854 8.477 -15.751 259 HA LEU 15 HA LEU 15 -1.709 9.273 -14.780 260 HB2 LEU 15 1HB LEU 15 1.112 10.189 -14.186 261 HB3 LEU 15 2HB LEU 15 -0.293 10.872 -13.374 262 HG LEU 15 HG LEU 15 0.450 7.943 -13.283 263 HD11 LEU 15 1HD1 LEU 15 2.094 9.385 -12.122 264 HD12 LEU 15 2HD1 LEU 15 1.190 8.317 -11.029 265 HD13 LEU 15 3HD1 LEU 15 0.766 10.039 -11.137 266 HD21 LEU 15 3HD2 LEU 15 -1.656 9.574 -11.910 267 HD22 LEU 15 1HD2 LEU 15 -1.204 7.916 -11.456 268 HD23 LEU 15 2HD2 LEU 15 -1.894 8.232 -13.046 269 H TYR 16 H TYR 16 0.595 10.911 -16.924 270 HA TYR 16 HA TYR 16 -0.605 13.493 -16.860 271 HB2 TYR 16 1HB TYR 16 0.939 11.925 -18.915 272 HB3 TYR 16 2HB TYR 16 0.096 13.392 -19.419 273 HD1 TYR 16 HD1 TYR 16 0.549 15.571 -18.060 274 HD2 TYR 16 HD2 TYR 16 3.119 12.122 -17.968 275 HE1 TYR 16 HE1 TYR 16 2.429 16.987 -17.233 276 HE2 TYR 16 HE2 TYR 16 5.000 13.556 -17.162 277 HH TYR 16 HH TYR 16 5.669 15.662 -16.564 278 H LEU 17 H LEU 17 -1.487 10.550 -18.694 279 HA LEU 17 HA LEU 17 -3.576 11.893 -20.168 280 HB2 LEU 17 1HB LEU 17 -3.231 8.957 -19.505 281 HB3 LEU 17 2HB LEU 17 -4.339 9.634 -20.686 282 HG LEU 17 HG LEU 17 -1.312 9.831 -20.868 283 HD11 LEU 17 1HD1 LEU 17 -2.075 7.492 -20.970 284 HD12 LEU 17 2HD1 LEU 17 -1.482 8.044 -22.548 285 HD13 LEU 17 3HD1 LEU 17 -3.233 7.920 -22.256 286 HD21 LEU 17 3HD2 LEU 17 -2.443 11.597 -22.135 287 HD22 LEU 17 1HD2 LEU 17 -3.508 10.398 -22.905 288 HD23 LEU 17 2HD2 LEU 17 -1.761 10.396 -23.247 289 H VAL 18 H VAL 18 -3.554 9.890 -17.206 290 HA VAL 18 HA VAL 18 -6.433 9.729 -17.087 291 HB VAL 18 HB VAL 18 -4.308 9.226 -14.950 292 HG11 VAL 18 1HG1 VAL 18 -7.276 8.524 -14.982 293 HG12 VAL 18 2HG1 VAL 18 -6.092 7.892 -13.817 294 HG13 VAL 18 3HG1 VAL 18 -6.450 9.622 -13.851 295 HG21 VAL 18 3HG2 VAL 18 -4.738 6.848 -15.512 296 HG22 VAL 18 1HG2 VAL 18 -5.831 7.358 -16.812 297 HG23 VAL 18 2HG2 VAL 18 -4.102 7.750 -16.889 298 H CYS 19 H CYS 19 -4.020 11.789 -15.433 299 HA CYS 19 HA CYS 19 -6.203 13.168 -14.017 300 HB2 CYS 19 1HB CYS 19 -3.207 13.299 -13.976 301 HB3 CYS 19 2HB CYS 19 -4.160 14.648 -13.334 302 H GLY 20 H GLY 20 -4.431 13.547 -17.019 303 HA2 GLY 20 1HA GLY 20 -4.465 15.263 -18.549 304 HA3 GLY 20 2HA GLY 20 -6.132 15.492 -18.012 305 H GLU 21 H GLU 21 -6.491 17.535 -17.819 306 HA GLU 21 HA GLU 21 -4.581 19.561 -17.382 307 HB2 GLU 21 1HB GLU 21 -6.922 19.606 -18.422 308 HB3 GLU 21 2HB GLU 21 -7.545 19.727 -16.775 309 HG2 GLU 21 1HG GLU 21 -6.287 21.843 -16.473 310 HG3 GLU 21 2HG GLU 21 -5.674 21.704 -18.127 311 HE2 GLU 21 HE2 GLU 21 -8.368 23.841 -18.504 312 H ARG 22 H ARG 22 -6.195 17.572 -14.959 313 HA ARG 22 HA ARG 22 -6.120 19.578 -12.855 314 HB2 ARG 22 1HB ARG 22 -6.438 16.558 -12.839 315 HB3 ARG 22 2HB ARG 22 -6.340 17.506 -11.363 316 HG2 ARG 22 1HG ARG 22 -8.615 17.342 -11.603 317 HG3 ARG 22 2HG ARG 22 -8.299 18.903 -12.366 318 HD2 ARG 22 1HD ARG 22 -9.897 17.617 -13.683 319 HD3 ARG 22 2HD ARG 22 -8.393 17.823 -14.595 320 HE ARG 22 HE ARG 22 -8.159 15.390 -13.222 321 HH11 ARG 22 1HH1 ARG 22 -10.241 16.701 -15.752 322 HH12 ARG 22 2HH1 ARG 22 -10.475 15.140 -16.493 323 HH21 ARG 22 1HH2 ARG 22 -8.501 13.436 -14.227 324 HH22 ARG 22 2HH2 ARG 22 -9.506 13.329 -15.642 325 H GLY 23 H GLY 23 -3.738 17.408 -14.195 326 HA2 GLY 23 1HA GLY 23 -1.480 17.259 -13.644 327 HA3 GLY 23 2HA GLY 23 -1.733 18.437 -12.340 328 H PHE 24 H PHE 24 -0.088 16.432 -11.703 329 HA PHE 24 HA PHE 24 -1.537 14.894 -9.678 330 HB2 PHE 24 1HB PHE 24 -0.841 12.712 -10.495 331 HB3 PHE 24 2HB PHE 24 -1.835 13.497 -11.717 332 HD1 PHE 24 HD2 PHE 24 -0.825 14.394 -13.791 333 HD2 PHE 24 HD1 PHE 24 1.488 12.247 -10.887 334 HE1 PHE 24 HE2 PHE 24 0.985 14.090 -15.460 335 HE2 PHE 24 HE1 PHE 24 3.290 11.905 -12.550 336 HZ PHE 24 HZ PHE 24 3.046 12.837 -14.859 337 H PHE 25 H PHE 25 0.267 13.384 -8.620 338 HA PHE 25 HA PHE 25 2.937 14.673 -8.947 339 HB2 PHE 25 1HB PHE 25 3.316 14.798 -6.623 340 HB3 PHE 25 2HB PHE 25 1.711 15.499 -6.857 341 HD1 PHE 25 HD2 PHE 25 -0.338 14.053 -6.327 342 HD2 PHE 25 HD1 PHE 25 3.664 12.923 -5.222 343 HE1 PHE 25 HE2 PHE 25 -1.258 12.419 -4.701 344 HE2 PHE 25 HE1 PHE 25 2.753 11.293 -3.575 345 HZ PHE 25 HZ PHE 25 0.284 11.037 -3.313 346 H TYR 26 H TYR 26 4.685 13.234 -8.172 347 HA TYR 26 HA TYR 26 3.963 10.375 -7.926 348 HB2 TYR 26 1HB TYR 26 4.222 10.592 -10.329 349 HB3 TYR 26 2HB TYR 26 5.705 11.542 -10.130 350 HD1 TYR 26 HD1 TYR 26 4.326 8.181 -9.072 351 HD2 TYR 26 HD2 TYR 26 7.750 10.435 -10.388 352 HE1 TYR 26 HE1 TYR 26 5.710 6.117 -9.041 353 HE2 TYR 26 HE2 TYR 26 9.110 8.351 -10.403 354 HH TYR 26 HH TYR 26 9.160 6.124 -9.999 355 H THR 27 H THR 27 5.453 9.291 -6.688 356 HA THR 27 HA THR 27 7.804 10.873 -5.791 357 HB THR 27 HB THR 27 6.600 10.846 -3.826 358 HG1 THR 27 HG1 THR 27 8.432 9.812 -3.222 359 HG21 THR 27 1HG2 THR 27 5.575 8.147 -4.700 360 HG22 THR 27 2HG2 THR 27 4.661 9.670 -4.538 361 HG23 THR 27 3HG2 THR 27 5.282 8.846 -3.093 362 HA PRO 28 HA PRO 28 9.594 7.160 -7.542 363 HB2 PRO 28 1HB PRO 28 12.129 8.052 -7.869 364 HB3 PRO 28 2HB PRO 28 10.778 8.709 -8.845 365 HG2 PRO 28 1HG PRO 28 12.123 9.857 -6.431 366 HG3 PRO 28 2HG PRO 28 11.619 10.672 -7.942 367 HD2 PRO 28 1HD PRO 28 10.171 10.658 -5.549 368 HD3 PRO 28 2HD PRO 28 9.430 10.951 -7.156 369 H LYS 29 H LYS 29 11.011 5.462 -6.892 370 HA LYS 29 HA LYS 29 11.899 5.651 -4.055 371 HB2 LYS 29 1HB LYS 29 12.083 3.195 -4.119 372 HB3 LYS 29 2HB LYS 29 10.445 3.778 -4.407 373 HG2 LYS 29 1HG LYS 29 10.657 3.294 -6.815 374 HG3 LYS 29 2HG LYS 29 12.330 2.776 -6.566 375 HD2 LYS 29 1HD LYS 29 11.428 1.073 -4.892 376 HD3 LYS 29 2HD LYS 29 9.818 1.451 -5.537 377 HE2 LYS 29 1HE LYS 29 10.655 -0.490 -6.712 378 HE3 LYS 29 2HE LYS 29 10.698 0.881 -7.841 379 HZ1 LYS 29 3HZ LYS 29 13.025 -0.179 -6.316 380 HZ2 LYS 29 1HZ LYS 29 13.081 1.116 -7.335 381 HZ3 LYS 29 2HZ LYS 29 12.760 -0.389 -7.930 382 H THR 30 H THR 30 13.841 6.583 -4.012 383 HA THR 30 HA THR 30 15.832 5.975 -6.107 384 HB THR 30 HB THR 30 17.253 7.627 -4.808 385 HG1 THR 30 HG1 THR 30 16.003 8.796 -3.174 386 HG21 THR 30 1HG2 THR 30 15.676 8.393 -6.667 387 HG22 THR 30 2HG2 THR 30 15.900 9.615 -5.410 388 HG23 THR 30 3HG2 THR 30 14.411 8.658 -5.449 389 HXT THR 30 H02 THR 30 16.081 6.079 -2.814 Start of MODEL 14 1 H1 GLY 1 3H0 GLY 1 4.246 -0.426 -2.043 2 H2 GLY 1 2H0 GLY 1 4.099 -0.168 -0.422 3 H3 GLY 1 1H0 GLY 1 2.765 -0.520 -1.330 4 HA2 GLY 1 1HA GLY 1 2.867 1.844 -0.749 5 HA3 GLY 1 2HA GLY 1 4.405 1.924 -1.628 6 H ILE 2 H ILE 2 2.119 3.554 -2.370 7 HA ILE 2 HA ILE 2 0.432 2.218 -4.168 8 HB ILE 2 HB ILE 2 0.057 4.478 -3.118 9 HG12 ILE 2 1HG1 ILE 2 -0.444 4.261 -6.098 10 HG13 ILE 2 2HG1 ILE 2 -1.381 3.465 -4.845 11 HG21 ILE 2 1HG2 ILE 2 0.861 6.516 -4.177 12 HG22 ILE 2 2HG2 ILE 2 2.264 5.517 -3.769 13 HG23 ILE 2 3HG2 ILE 2 1.683 5.599 -5.450 14 HD11 ILE 2 3HD1 ILE 2 -2.007 5.743 -3.936 15 HD12 ILE 2 1HD1 ILE 2 -1.185 6.471 -5.340 16 HD13 ILE 2 2HD1 ILE 2 -2.599 5.424 -5.582 17 H VAL 3 H VAL 3 3.523 3.887 -4.999 18 HA VAL 3 HA VAL 3 3.262 3.343 -7.806 19 HB VAL 3 HB VAL 3 4.776 5.098 -7.025 20 HG11 VAL 3 1HG1 VAL 3 6.874 4.649 -5.835 21 HG12 VAL 3 2HG1 VAL 3 5.496 4.103 -4.867 22 HG13 VAL 3 3HG1 VAL 3 6.492 2.916 -5.750 23 HG21 VAL 3 3HG2 VAL 3 6.439 2.869 -8.283 24 HG22 VAL 3 1HG2 VAL 3 5.308 3.906 -9.169 25 HG23 VAL 3 2HG2 VAL 3 6.735 4.622 -8.385 26 H GLU 4 H GLU 4 4.528 1.472 -5.097 27 HA GLU 4 HA GLU 4 5.878 -0.517 -6.638 28 HB2 GLU 4 1HB GLU 4 6.126 -0.109 -4.171 29 HB3 GLU 4 2HB GLU 4 4.512 -0.776 -3.943 30 HG2 GLU 4 1HG GLU 4 5.299 -2.940 -4.876 31 HG3 GLU 4 2HG GLU 4 6.934 -2.264 -4.960 32 HE2 GLU 4 HE2 GLU 4 6.916 -3.955 -1.920 33 H GLN 5 H GLN 5 2.531 -0.282 -5.348 34 HA GLN 5 HA GLN 5 1.745 -2.864 -6.296 35 HB2 GLN 5 1HB GLN 5 0.416 -0.441 -5.205 36 HB3 GLN 5 2HB GLN 5 -0.582 -1.441 -6.268 37 HG2 GLN 5 1HG GLN 5 -1.055 -2.625 -4.424 38 HG3 GLN 5 2HG GLN 5 0.531 -3.366 -4.658 39 HE21 GLN 5 2HE2 GLN 5 -1.466 -1.835 -2.497 40 HE22 GLN 5 1HE2 GLN 5 -0.276 -1.345 -1.319 41 H CYS 6 H CYS 6 1.651 0.380 -7.835 42 HA CYS 6 HA CYS 6 0.210 -0.614 -10.151 43 HB2 CYS 6 1HB CYS 6 1.919 1.875 -9.809 44 HB3 CYS 6 2HB CYS 6 0.867 1.534 -11.184 45 H CYS 7 H CYS 7 3.491 -0.799 -9.145 46 HA CYS 7 HA CYS 7 4.506 -1.156 -11.875 47 HB2 CYS 7 1HB CYS 7 5.878 0.005 -10.237 48 HB3 CYS 7 2HB CYS 7 5.821 -1.389 -9.157 49 H THR 8 H THR 8 4.185 -3.167 -8.878 50 HA THR 8 HA THR 8 5.053 -5.529 -10.321 51 HB THR 8 HB THR 8 5.409 -5.134 -7.835 52 HG1 THR 8 HG1 THR 8 4.191 -7.513 -8.814 53 HG21 THR 8 1HG2 THR 8 2.568 -6.170 -7.568 54 HG22 THR 8 2HG2 THR 8 3.004 -4.459 -7.360 55 HG23 THR 8 3HG2 THR 8 3.685 -5.688 -6.276 56 H SER 9 H SER 9 1.972 -3.996 -9.777 57 HA SER 9 HA SER 9 0.731 -6.221 -11.306 58 HB2 SER 9 1HB SER 9 -0.475 -4.874 -8.814 59 HB3 SER 9 2HB SER 9 -1.301 -6.064 -9.842 60 HG SER 9 HG SER 9 -0.368 -7.039 -8.000 61 H ILE 10 H ILE 10 -1.871 -5.038 -11.439 62 HA ILE 10 HA ILE 10 -1.050 -2.763 -13.180 63 HB ILE 10 HB ILE 10 -3.382 -4.675 -13.535 64 HG12 ILE 10 1HG1 ILE 10 -0.631 -4.473 -14.817 65 HG13 ILE 10 2HG1 ILE 10 -1.234 -5.790 -13.811 66 HG21 ILE 10 1HG2 ILE 10 -3.695 -3.593 -15.684 67 HG22 ILE 10 2HG2 ILE 10 -3.693 -2.324 -14.465 68 HG23 ILE 10 3HG2 ILE 10 -2.245 -2.587 -15.460 69 HD11 ILE 10 3HD1 ILE 10 -2.966 -6.177 -15.635 70 HD12 ILE 10 1HD1 ILE 10 -1.935 -5.119 -16.631 71 HD13 ILE 10 2HD1 ILE 10 -1.273 -6.617 -15.962 72 H CYS 11 H CYS 11 -1.563 -0.857 -12.384 73 HA CYS 11 HA CYS 11 -4.025 -0.501 -10.796 74 HB2 CYS 11 1HB CYS 11 -1.828 1.365 -11.754 75 HB3 CYS 11 2HB CYS 11 -3.314 1.958 -11.000 76 H SER 12 H SER 12 -5.915 -0.276 -11.775 77 HA SER 12 HA SER 12 -6.167 0.172 -14.642 78 HB2 SER 12 1HB SER 12 -8.598 0.252 -14.101 79 HB3 SER 12 2HB SER 12 -7.816 -1.167 -13.368 80 HG SER 12 HG SER 12 -8.982 -0.275 -11.750 81 H LEU 13 H LEU 13 -7.582 2.124 -15.384 82 HA LEU 13 HA LEU 13 -6.255 4.508 -14.669 83 HB2 LEU 13 1HB LEU 13 -7.821 5.662 -16.023 84 HB3 LEU 13 2HB LEU 13 -7.479 4.116 -16.778 85 HG LEU 13 HG LEU 13 -9.750 3.467 -15.432 86 HD11 LEU 13 1HD1 LEU 13 -11.364 5.336 -15.761 87 HD12 LEU 13 2HD1 LEU 13 -10.017 6.409 -16.200 88 HD13 LEU 13 3HD1 LEU 13 -10.126 5.730 -14.558 89 HD21 LEU 13 3HD2 LEU 13 -10.903 3.770 -17.584 90 HD22 LEU 13 1HD2 LEU 13 -9.283 3.077 -17.807 91 HD23 LEU 13 2HD2 LEU 13 -9.571 4.801 -18.158 92 H TYR 14 H TYR 14 -9.103 3.002 -13.232 93 HA TYR 14 HA TYR 14 -10.004 5.275 -11.758 94 HB2 TYR 14 1HB TYR 14 -10.216 2.393 -10.884 95 HB3 TYR 14 2HB TYR 14 -11.347 3.710 -10.570 96 HD1 TYR 14 HD1 TYR 14 -12.357 4.815 -12.848 97 HD2 TYR 14 HD2 TYR 14 -10.730 0.840 -12.535 98 HE1 TYR 14 HE1 TYR 14 -13.606 4.128 -14.904 99 HE2 TYR 14 HE2 TYR 14 -11.972 0.172 -14.594 100 HH TYR 14 HH TYR 14 -13.458 0.815 -16.213 101 H GLN 15 H GLN 15 -7.648 2.702 -11.068 102 HA GLN 15 HA GLN 15 -7.123 3.532 -8.332 103 HB2 GLN 15 1HB GLN 15 -5.548 1.887 -10.342 104 HB3 GLN 15 2HB GLN 15 -5.035 2.140 -8.676 105 HG2 GLN 15 1HG GLN 15 -7.725 0.924 -9.363 106 HG3 GLN 15 2HG GLN 15 -6.247 -0.039 -9.227 107 HE21 GLN 15 2HE2 GLN 15 -8.904 0.910 -7.546 108 HE22 GLN 15 1HE2 GLN 15 -8.265 0.798 -5.924 109 H LEU 16 H LEU 16 -5.801 4.246 -11.546 110 HA LEU 16 HA LEU 16 -3.560 5.773 -10.647 111 HB2 LEU 16 1HB LEU 16 -5.128 5.900 -13.232 112 HB3 LEU 16 2HB LEU 16 -3.641 6.787 -12.934 113 HG LEU 16 HG LEU 16 -3.896 3.761 -12.924 114 HD11 LEU 16 1HD1 LEU 16 -4.161 4.716 -15.167 115 HD12 LEU 16 2HD1 LEU 16 -2.618 3.863 -15.015 116 HD13 LEU 16 3HD1 LEU 16 -2.657 5.644 -14.962 117 HD21 LEU 16 3HD2 LEU 16 -1.418 3.798 -12.935 118 HD22 LEU 16 1HD2 LEU 16 -2.105 4.455 -11.442 119 HD23 LEU 16 2HD2 LEU 16 -1.464 5.557 -12.682 120 H GLU 17 H GLU 17 -6.977 6.664 -11.038 121 HA GLU 17 HA GLU 17 -6.640 9.473 -11.011 122 HB2 GLU 17 1HB GLU 17 -8.860 7.710 -9.979 123 HB3 GLU 17 2HB GLU 17 -8.939 9.470 -9.909 124 HG2 GLU 17 1HG GLU 17 -8.753 9.631 -12.326 125 HG3 GLU 17 2HG GLU 17 -8.550 7.884 -12.455 126 HE2 GLU 17 HE2 GLU 17 -12.117 9.370 -11.632 127 H ASN 18 H ASN 18 -6.153 7.213 -8.382 128 HA ASN 18 HA ASN 18 -6.525 9.028 -6.196 129 HB2 ASN 18 1HB ASN 18 -4.765 6.578 -6.530 130 HB3 ASN 18 2HB ASN 18 -4.867 7.495 -5.019 131 HD21 ASN 18 2HD2 ASN 18 -6.293 5.101 -6.960 132 HD22 ASN 18 1HD2 ASN 18 -7.720 4.846 -5.972 133 H TYR 19 H TYR 19 -3.937 8.716 -8.546 134 HA TYR 19 HA TYR 19 -1.933 10.110 -6.948 135 HB2 TYR 19 1HB TYR 19 -2.212 9.390 -9.857 136 HB3 TYR 19 2HB TYR 19 -0.830 10.288 -9.269 137 HD1 TYR 19 HD1 TYR 19 -2.515 6.983 -9.223 138 HD2 TYR 19 HD2 TYR 19 0.929 9.233 -7.988 139 HE1 TYR 19 HE1 TYR 19 -1.299 4.869 -8.764 140 HE2 TYR 19 HE2 TYR 19 2.142 7.114 -7.531 141 HH TYR 19 HH TYR 19 0.653 3.916 -8.057 142 H CYS 20 H CYS 20 -4.687 11.129 -8.792 143 HA CYS 20 HA CYS 20 -3.481 13.500 -9.931 144 HB2 CYS 20 1HB CYS 20 -6.420 12.871 -9.611 145 HB3 CYS 20 2HB CYS 20 -5.685 14.001 -10.747 146 H ASN 21 H ASN 21 -2.735 14.039 -7.544 147 HA ASN 21 HA ASN 21 -4.618 15.539 -5.915 148 HB2 ASN 21 1HB ASN 21 -2.397 14.597 -5.077 149 HB3 ASN 21 2HB ASN 21 -1.578 15.864 -6.004 150 HD21 ASN 21 2HD2 ASN 21 -1.115 17.657 -4.899 151 HD22 ASN 21 1HD2 ASN 21 -1.991 18.215 -3.500 152 HXT ASN 21 H02 ASN 21 -3.276 17.997 -8.588 153 H1 PHE 1 3H0 PHE 1 -8.530 3.613 -22.689 154 H2 PHE 1 2H0 PHE 1 -8.051 2.476 -23.786 155 H3 PHE 1 1H0 PHE 1 -9.105 2.068 -22.588 156 HA PHE 1 HA PHE 1 -6.292 2.863 -22.215 157 HB2 PHE 1 1HB PHE 1 -8.132 3.459 -20.445 158 HB3 PHE 1 2HB PHE 1 -8.125 1.728 -20.092 159 HD1 PHE 1 HD2 PHE 1 -6.107 4.854 -20.056 160 HD2 PHE 1 HD1 PHE 1 -6.276 0.713 -18.869 161 HE1 PHE 1 HE2 PHE 1 -4.123 5.196 -18.593 162 HE2 PHE 1 HE1 PHE 1 -4.290 1.053 -17.402 163 HZ PHE 1 HZ PHE 1 -3.205 3.294 -17.276 164 H VAL 2 H VAL 2 -4.919 1.026 -21.443 165 HA VAL 2 HA VAL 2 -6.085 -1.649 -22.009 166 HB VAL 2 HB VAL 2 -4.919 -0.795 -24.111 167 HG11 VAL 2 1HG1 VAL 2 -2.370 -1.045 -22.468 168 HG12 VAL 2 2HG1 VAL 2 -2.498 -0.653 -24.196 169 HG13 VAL 2 3HG1 VAL 2 -3.106 0.492 -22.985 170 HG21 VAL 2 3HG2 VAL 2 -3.592 -3.215 -22.819 171 HG22 VAL 2 1HG2 VAL 2 -5.186 -3.219 -23.620 172 HG23 VAL 2 2HG2 VAL 2 -3.721 -2.869 -24.557 173 H ASN 3 H ASN 3 -5.087 -3.282 -20.718 174 HA ASN 3 HA ASN 3 -3.873 -2.193 -18.314 175 HB2 ASN 3 1HB ASN 3 -3.742 -4.463 -17.513 176 HB3 ASN 3 2HB ASN 3 -5.366 -4.168 -18.167 177 HD21 ASN 3 2HD2 ASN 3 -5.946 -5.228 -20.122 178 HD22 ASN 3 1HD2 ASN 3 -5.041 -6.611 -20.687 179 H GLN 4 H GLN 4 -1.834 -2.149 -17.692 180 HA GLN 4 HA GLN 4 0.146 -3.945 -18.771 181 HB2 GLN 4 1HB GLN 4 1.711 -2.196 -19.555 182 HB3 GLN 4 2HB GLN 4 0.262 -2.263 -20.559 183 HG2 GLN 4 1HG GLN 4 -0.645 -0.290 -19.318 184 HG3 GLN 4 2HG GLN 4 0.884 -0.194 -18.435 185 HE21 GLN 4 2HE2 GLN 4 -0.673 0.119 -21.574 186 HE22 GLN 4 1HE2 GLN 4 0.598 1.063 -22.317 187 H HIS 5 H HIS 5 1.828 -4.068 -17.253 188 HA HIS 5 HA HIS 5 1.448 -2.835 -14.644 189 HB2 HIS 5 1HB HIS 5 3.869 -4.192 -15.919 190 HB3 HIS 5 2HB HIS 5 3.805 -3.635 -14.249 191 HD1 HIS 5 HD1 HIS 5 1.323 -4.650 -13.073 192 HD2 HIS 5 HD2 HIS 5 3.410 -6.884 -15.840 193 HE1 HIS 5 HE1 HIS 5 0.557 -7.087 -12.839 194 HE2 HIS 5 HE2 HIS 5 1.883 -8.415 -14.504 195 H LEU 6 H LEU 6 2.489 -0.970 -13.800 196 HA LEU 6 HA LEU 6 3.868 0.709 -15.877 197 HB2 LEU 6 1HB LEU 6 1.770 1.453 -13.826 198 HB3 LEU 6 2HB LEU 6 2.714 2.629 -14.727 199 HG LEU 6 HG LEU 6 0.904 0.610 -16.067 200 HD11 LEU 6 1HD1 LEU 6 0.307 3.479 -15.268 201 HD12 LEU 6 2HD1 LEU 6 -0.417 2.017 -14.559 202 HD13 LEU 6 3HD1 LEU 6 -0.736 2.427 -16.254 203 HD21 LEU 6 3HD2 LEU 6 2.590 1.548 -17.551 204 HD22 LEU 6 1HD2 LEU 6 2.192 3.199 -17.008 205 HD23 LEU 6 2HD2 LEU 6 1.012 2.255 -17.938 206 H CYS 7 H CYS 7 5.944 0.710 -15.233 207 HA CYS 7 HA CYS 7 6.489 1.436 -12.381 208 HB2 CYS 7 1HB CYS 7 8.299 -0.003 -14.352 209 HB3 CYS 7 2HB CYS 7 8.622 0.275 -12.638 210 H GLY 8 H GLY 8 8.051 3.057 -11.987 211 HA2 GLY 8 1HA GLY 8 9.357 4.896 -12.461 212 HA3 GLY 8 2HA GLY 8 9.844 4.031 -13.922 213 H SER 9 H SER 9 9.871 5.575 -15.421 214 HA SER 9 HA SER 9 8.117 7.767 -15.622 215 HB2 SER 9 1HB SER 9 9.019 7.077 -18.212 216 HB3 SER 9 2HB SER 9 9.752 8.230 -17.072 217 HG SER 9 HG SER 9 11.266 6.647 -17.593 218 H HIS 10 H HIS 10 7.608 4.419 -16.718 219 HA HIS 10 HA HIS 10 5.595 5.013 -18.684 220 HB2 HIS 10 1HB HIS 10 6.413 2.632 -17.115 221 HB3 HIS 10 2HB HIS 10 4.714 2.662 -17.572 222 HD1 HIS 10 HD1 HIS 10 4.144 1.805 -19.884 223 HD2 HIS 10 HD2 HIS 10 8.185 2.914 -19.501 224 HE1 HIS 10 HE1 HIS 10 5.310 1.160 -22.056 225 HE2 HIS 10 HE2 HIS 10 7.737 1.835 -21.809 226 H LEU 11 H LEU 11 5.484 4.688 -15.131 227 HA LEU 11 HA LEU 11 2.612 4.825 -14.967 228 HB2 LEU 11 1HB LEU 11 4.107 3.994 -13.143 229 HB3 LEU 11 2HB LEU 11 4.724 5.629 -12.930 230 HG LEU 11 HG LEU 11 2.459 6.392 -12.260 231 HD11 LEU 11 1HD1 LEU 11 1.047 4.776 -13.377 232 HD12 LEU 11 2HD1 LEU 11 0.784 4.669 -11.630 233 HD13 LEU 11 3HD1 LEU 11 1.776 3.441 -12.449 234 HD21 LEU 11 3HD2 LEU 11 4.105 5.712 -10.593 235 HD22 LEU 11 1HD2 LEU 11 3.537 4.029 -10.692 236 HD23 LEU 11 2HD2 LEU 11 2.468 5.308 -10.069 237 H VAL 12 H VAL 12 5.231 7.248 -14.784 238 HA VAL 12 HA VAL 12 3.596 9.467 -14.142 239 HB VAL 12 HB VAL 12 6.175 9.409 -15.780 240 HG11 VAL 12 1HG1 VAL 12 4.913 11.662 -14.185 241 HG12 VAL 12 2HG1 VAL 12 6.491 11.715 -15.003 242 HG13 VAL 12 3HG1 VAL 12 5.007 11.558 -15.958 243 HG21 VAL 12 3HG2 VAL 12 6.513 8.296 -13.637 244 HG22 VAL 12 1HG2 VAL 12 7.273 9.895 -13.584 245 HG23 VAL 12 2HG2 VAL 12 5.710 9.630 -12.781 246 H GLU 13 H GLU 13 4.567 8.163 -17.358 247 HA GLU 13 HA GLU 13 3.217 10.253 -18.800 248 HB2 GLU 13 1HB GLU 13 3.997 7.455 -19.666 249 HB3 GLU 13 2HB GLU 13 3.395 8.723 -20.745 250 HG2 GLU 13 1HG GLU 13 5.981 8.734 -19.162 251 HG3 GLU 13 2HG GLU 13 5.801 8.674 -20.918 252 HE2 GLU 13 HE2 GLU 13 4.351 10.443 -21.577 253 H ALA 14 H ALA 14 2.108 7.208 -17.411 254 HA ALA 14 HA ALA 14 -0.412 7.209 -18.852 255 HB1 ALA 14 3HB ALA 14 0.562 5.176 -17.805 256 HB2 ALA 14 1HB ALA 14 0.346 5.915 -16.201 257 HB3 ALA 14 2HB ALA 14 -1.075 5.525 -17.196 258 H LEU 15 H LEU 15 0.797 8.487 -15.751 259 HA LEU 15 HA LEU 15 -1.753 9.336 -14.771 260 HB2 LEU 15 1HB LEU 15 1.079 10.230 -14.176 261 HB3 LEU 15 2HB LEU 15 -0.329 10.893 -13.354 262 HG LEU 15 HG LEU 15 0.462 7.974 -13.290 263 HD11 LEU 15 1HD1 LEU 15 2.057 9.427 -12.089 264 HD12 LEU 15 2HD1 LEU 15 1.147 8.352 -11.008 265 HD13 LEU 15 3HD1 LEU 15 0.706 10.068 -11.128 266 HD21 LEU 15 3HD2 LEU 15 -1.211 7.909 -11.460 267 HD22 LEU 15 1HD2 LEU 15 -1.884 8.174 -13.070 268 HD23 LEU 15 2HD2 LEU 15 -1.713 9.544 -11.952 269 H TYR 16 H TYR 16 0.622 10.928 -16.900 270 HA TYR 16 HA TYR 16 -0.570 13.518 -16.855 271 HB2 TYR 16 1HB TYR 16 0.977 11.961 -18.931 272 HB3 TYR 16 2HB TYR 16 0.200 13.484 -19.369 273 HD1 TYR 16 HD2 TYR 16 0.688 15.538 -17.746 274 HD2 TYR 16 HD1 TYR 16 3.200 12.070 -18.122 275 HE1 TYR 16 HE2 TYR 16 2.630 16.835 -16.857 276 HE2 TYR 16 HE1 TYR 16 5.135 13.376 -17.263 277 HH TYR 16 HH TYR 16 5.875 15.393 -16.500 278 H LEU 17 H LEU 17 -1.439 10.570 -18.686 279 HA LEU 17 HA LEU 17 -3.491 11.915 -20.211 280 HB2 LEU 17 1HB LEU 17 -3.160 8.984 -19.523 281 HB3 LEU 17 2HB LEU 17 -4.272 9.647 -20.708 282 HG LEU 17 HG LEU 17 -1.249 9.864 -20.904 283 HD11 LEU 17 1HD1 LEU 17 -1.990 7.517 -20.967 284 HD12 LEU 17 2HD1 LEU 17 -1.408 8.051 -22.556 285 HD13 LEU 17 3HD1 LEU 17 -3.157 7.913 -22.253 286 HD21 LEU 17 3HD2 LEU 17 -2.405 11.598 -22.187 287 HD22 LEU 17 1HD2 LEU 17 -3.461 10.377 -22.936 288 HD23 LEU 17 2HD2 LEU 17 -1.716 10.390 -23.286 289 H VAL 18 H VAL 18 -3.570 9.878 -17.260 290 HA VAL 18 HA VAL 18 -6.461 9.844 -17.187 291 HB VAL 18 HB VAL 18 -4.393 9.182 -15.025 292 HG11 VAL 18 1HG1 VAL 18 -7.394 8.618 -15.112 293 HG12 VAL 18 2HG1 VAL 18 -6.259 7.903 -13.943 294 HG13 VAL 18 3HG1 VAL 18 -6.537 9.651 -13.944 295 HG21 VAL 18 3HG2 VAL 18 -4.937 6.827 -15.645 296 HG22 VAL 18 1HG2 VAL 18 -5.962 7.425 -16.963 297 HG23 VAL 18 2HG2 VAL 18 -4.211 7.725 -16.986 298 H CYS 19 H CYS 19 -3.965 11.706 -15.418 299 HA CYS 19 HA CYS 19 -6.052 13.124 -13.932 300 HB2 CYS 19 1HB CYS 19 -3.065 13.626 -14.089 301 HB3 CYS 19 2HB CYS 19 -4.186 14.294 -12.895 302 H GLY 20 H GLY 20 -4.402 13.510 -16.983 303 HA2 GLY 20 1HA GLY 20 -4.575 15.206 -18.528 304 HA3 GLY 20 2HA GLY 20 -5.985 15.785 -17.627 305 H GLU 21 H GLU 21 -5.359 17.919 -18.120 306 HA GLU 21 HA GLU 21 -2.847 19.036 -17.359 307 HB2 GLU 21 1HB GLU 21 -3.826 21.148 -17.893 308 HB3 GLU 21 2HB GLU 21 -4.437 19.959 -19.048 309 HG2 GLU 21 1HG GLU 21 -6.522 19.780 -17.612 310 HG3 GLU 21 2HG GLU 21 -5.915 21.159 -16.680 311 HE2 GLU 21 HE2 GLU 21 -5.154 22.820 -18.140 312 H ARG 22 H ARG 22 -5.306 17.983 -15.265 313 HA ARG 22 HA ARG 22 -5.225 20.151 -13.341 314 HB2 ARG 22 1HB ARG 22 -6.117 17.253 -13.217 315 HB3 ARG 22 2HB ARG 22 -6.117 18.298 -11.807 316 HG2 ARG 22 1HG ARG 22 -8.312 18.424 -12.558 317 HG3 ARG 22 2HG ARG 22 -7.574 19.914 -13.141 318 HD2 ARG 22 1HD ARG 22 -9.082 18.924 -14.810 319 HD3 ARG 22 2HD ARG 22 -7.417 18.995 -15.406 320 HE ARG 22 HE ARG 22 -7.507 16.481 -14.390 321 HH11 ARG 22 1HH1 ARG 22 -9.719 18.130 -16.608 322 HH12 ARG 22 2HH1 ARG 22 -10.160 16.646 -17.404 323 HH21 ARG 22 1HH2 ARG 22 -8.117 14.648 -15.450 324 HH22 ARG 22 2HH2 ARG 22 -9.273 14.704 -16.752 325 H GLY 23 H GLY 23 -3.084 17.551 -14.142 326 HA2 GLY 23 1HA GLY 23 -0.908 17.322 -13.317 327 HA3 GLY 23 2HA GLY 23 -1.287 18.439 -11.996 328 H PHE 24 H PHE 24 0.162 16.389 -11.251 329 HA PHE 24 HA PHE 24 -1.541 14.799 -9.517 330 HB2 PHE 24 1HB PHE 24 -0.817 12.620 -10.414 331 HB3 PHE 24 2HB PHE 24 -1.774 13.521 -11.580 332 HD1 PHE 24 HD1 PHE 24 1.568 12.266 -10.764 333 HD2 PHE 24 HD2 PHE 24 -0.823 14.358 -13.640 334 HE1 PHE 24 HE1 PHE 24 3.341 11.941 -12.439 335 HE2 PHE 24 HE2 PHE 24 0.962 14.068 -15.333 336 HZ PHE 24 HZ PHE 24 3.057 12.863 -14.757 337 H PHE 25 H PHE 25 0.119 13.024 -8.513 338 HA PHE 25 HA PHE 25 2.765 14.382 -8.218 339 HB2 PHE 25 1HB PHE 25 2.840 13.924 -5.896 340 HB3 PHE 25 2HB PHE 25 1.265 14.670 -6.183 341 HD1 PHE 25 HD2 PHE 25 -0.804 13.321 -5.993 342 HD2 PHE 25 HD1 PHE 25 3.054 11.584 -5.240 343 HE1 PHE 25 HE2 PHE 25 -1.905 11.387 -4.882 344 HE2 PHE 25 HE1 PHE 25 1.965 9.626 -4.151 345 HZ PHE 25 HZ PHE 25 -0.524 9.524 -3.971 346 H TYR 26 H TYR 26 4.514 12.903 -7.666 347 HA TYR 26 HA TYR 26 3.987 10.023 -8.115 348 HB2 TYR 26 1HB TYR 26 4.359 10.818 -10.380 349 HB3 TYR 26 2HB TYR 26 5.770 11.758 -9.864 350 HD1 TYR 26 HD1 TYR 26 4.529 8.185 -9.736 351 HD2 TYR 26 HD2 TYR 26 7.883 10.840 -10.231 352 HE1 TYR 26 HE1 TYR 26 6.039 6.238 -10.114 353 HE2 TYR 26 HE2 TYR 26 9.361 8.884 -10.647 354 HH TYR 26 HH TYR 26 9.523 6.639 -10.780 355 H THR 27 H THR 27 5.576 8.758 -7.147 356 HA THR 27 HA THR 27 7.586 10.258 -5.545 357 HB THR 27 HB THR 27 6.320 9.350 -3.866 358 HG1 THR 27 HG1 THR 27 8.358 8.418 -3.626 359 HG21 THR 27 1HG2 THR 27 5.759 7.071 -5.761 360 HG22 THR 27 2HG2 THR 27 4.621 8.294 -5.140 361 HG23 THR 27 3HG2 THR 27 5.285 7.062 -4.048 362 HA PRO 28 HA PRO 28 10.034 7.761 -8.396 363 HB2 PRO 28 1HB PRO 28 12.291 9.271 -8.384 364 HB3 PRO 28 2HB PRO 28 10.793 9.826 -9.196 365 HG2 PRO 28 1HG PRO 28 11.877 10.560 -6.505 366 HG3 PRO 28 2HG PRO 28 11.193 11.614 -7.779 367 HD2 PRO 28 1HD PRO 28 9.788 10.704 -5.578 368 HD3 PRO 28 2HD PRO 28 8.993 11.131 -7.129 369 H LYS 29 H LYS 29 11.864 6.349 -8.248 370 HA LYS 29 HA LYS 29 12.680 5.719 -5.468 371 HB2 LYS 29 1HB LYS 29 13.164 4.346 -8.143 372 HB3 LYS 29 2HB LYS 29 13.873 3.826 -6.611 373 HG2 LYS 29 1HG LYS 29 11.653 3.376 -5.690 374 HG3 LYS 29 2HG LYS 29 10.897 3.974 -7.176 375 HD2 LYS 29 1HD LYS 29 10.881 1.579 -7.285 376 HD3 LYS 29 2HD LYS 29 12.084 2.139 -8.453 377 HE2 LYS 29 1HE LYS 29 12.898 1.327 -5.637 378 HE3 LYS 29 2HE LYS 29 12.636 0.103 -6.889 379 HZ1 LYS 29 3HZ LYS 29 14.969 0.771 -6.722 380 HZ2 LYS 29 1HZ LYS 29 14.586 2.328 -7.115 381 HZ3 LYS 29 2HZ LYS 29 14.364 1.120 -8.217 382 H THR 30 H THR 30 14.094 7.348 -4.920 383 HA THR 30 HA THR 30 16.274 8.104 -6.736 384 HB THR 30 HB THR 30 16.938 9.500 -4.675 385 HG1 THR 30 HG1 THR 30 15.276 9.570 -3.067 386 HG21 THR 30 1HG2 THR 30 15.034 11.085 -4.954 387 HG22 THR 30 2HG2 THR 30 14.027 9.815 -5.669 388 HG23 THR 30 3HG2 THR 30 15.457 10.418 -6.536 389 HXT THR 30 H02 THR 30 18.884 6.651 -5.092 Start of MODEL 15 1 H1 GLY 1 3H0 GLY 1 6.373 0.817 -0.656 2 H2 GLY 1 2H0 GLY 1 4.799 0.418 -0.948 3 H3 GLY 1 1H0 GLY 1 5.930 0.229 -2.132 4 HA2 GLY 1 1HA GLY 1 5.067 2.812 -0.982 5 HA3 GLY 1 2HA GLY 1 6.289 2.614 -2.253 6 H ILE 2 H ILE 2 3.967 4.235 -2.703 7 HA ILE 2 HA ILE 2 1.813 2.708 -3.728 8 HB ILE 2 HB ILE 2 1.722 5.112 -3.018 9 HG12 ILE 2 1HG1 ILE 2 0.617 4.532 -5.777 10 HG13 ILE 2 2HG1 ILE 2 -0.074 3.958 -4.267 11 HG21 ILE 2 1HG2 ILE 2 2.856 5.788 -5.775 12 HG22 ILE 2 2HG2 ILE 2 2.355 6.928 -4.512 13 HG23 ILE 2 3HG2 ILE 2 3.779 5.908 -4.259 14 HD11 ILE 2 3HD1 ILE 2 0.117 6.859 -5.197 15 HD12 ILE 2 1HD1 ILE 2 -1.350 5.876 -5.016 16 HD13 ILE 2 2HD1 ILE 2 -0.431 6.363 -3.575 17 H VAL 3 H VAL 3 4.640 4.029 -5.495 18 HA VAL 3 HA VAL 3 3.775 3.308 -8.099 19 HB VAL 3 HB VAL 3 5.624 4.847 -7.842 20 HG11 VAL 3 1HG1 VAL 3 7.830 4.205 -6.895 21 HG12 VAL 3 2HG1 VAL 3 6.545 4.122 -5.686 22 HG13 VAL 3 3HG1 VAL 3 7.171 2.626 -6.425 23 HG21 VAL 3 3HG2 VAL 3 6.911 2.308 -8.932 24 HG22 VAL 3 1HG2 VAL 3 5.719 3.266 -9.829 25 HG23 VAL 3 2HG2 VAL 3 7.270 3.993 -9.373 26 H GLU 4 H GLU 4 5.173 1.384 -5.539 27 HA GLU 4 HA GLU 4 6.164 -0.782 -7.081 28 HB2 GLU 4 1HB GLU 4 6.607 -0.248 -4.658 29 HB3 GLU 4 2HB GLU 4 4.982 -0.824 -4.290 30 HG2 GLU 4 1HG GLU 4 5.579 -3.063 -5.089 31 HG3 GLU 4 2HG GLU 4 7.224 -2.492 -5.426 32 HE2 GLU 4 HE2 GLU 4 7.338 -3.998 -2.241 33 H GLN 5 H GLN 5 2.937 -0.114 -5.676 34 HA GLN 5 HA GLN 5 1.887 -2.698 -6.214 35 HB2 GLN 5 1HB GLN 5 0.968 -0.861 -4.691 36 HB3 GLN 5 2HB GLN 5 0.281 -0.128 -6.145 37 HG2 GLN 5 1HG GLN 5 -1.393 -1.496 -5.006 38 HG3 GLN 5 2HG GLN 5 -0.996 -2.214 -6.574 39 HE21 GLN 5 2HE2 GLN 5 -1.304 -4.354 -6.252 40 HE22 GLN 5 1HE2 GLN 5 -0.509 -5.287 -5.008 41 H CYS 6 H CYS 6 1.956 0.287 -8.196 42 HA CYS 6 HA CYS 6 0.316 -0.963 -10.270 43 HB2 CYS 6 1HB CYS 6 1.975 1.582 -10.278 44 HB3 CYS 6 2HB CYS 6 0.909 1.058 -11.590 45 H CYS 7 H CYS 7 3.669 -0.944 -9.455 46 HA CYS 7 HA CYS 7 4.555 -1.595 -12.149 47 HB2 CYS 7 1HB CYS 7 5.981 -0.469 -10.440 48 HB3 CYS 7 2HB CYS 7 5.966 -1.955 -9.485 49 H THR 8 H THR 8 3.844 -3.393 -9.113 50 HA THR 8 HA THR 8 4.484 -5.920 -10.442 51 HB THR 8 HB THR 8 5.009 -5.474 -8.014 52 HG1 THR 8 HG1 THR 8 4.815 -7.608 -8.919 53 HG21 THR 8 1HG2 THR 8 3.328 -5.635 -6.339 54 HG22 THR 8 2HG2 THR 8 2.078 -6.060 -7.522 55 HG23 THR 8 3HG2 THR 8 2.748 -4.416 -7.490 56 H SER 9 H SER 9 1.534 -4.062 -9.864 57 HA SER 9 HA SER 9 0.083 -6.294 -11.200 58 HB2 SER 9 1HB SER 9 -0.874 -4.810 -8.693 59 HB3 SER 9 2HB SER 9 -1.810 -6.017 -9.598 60 HG SER 9 HG SER 9 0.570 -7.071 -9.058 61 H ILE 10 H ILE 10 -2.383 -5.419 -11.523 62 HA ILE 10 HA ILE 10 -1.829 -3.349 -13.515 63 HB ILE 10 HB ILE 10 -4.411 -4.850 -12.867 64 HG12 ILE 10 1HG1 ILE 10 -2.566 -6.336 -13.620 65 HG13 ILE 10 2HG1 ILE 10 -3.947 -6.305 -14.705 66 HG21 ILE 10 1HG2 ILE 10 -5.115 -4.126 -15.176 67 HG22 ILE 10 2HG2 ILE 10 -4.972 -2.792 -14.024 68 HG23 ILE 10 3HG2 ILE 10 -3.690 -3.053 -15.232 69 HD11 ILE 10 3HD1 ILE 10 -2.767 -4.956 -16.325 70 HD12 ILE 10 1HD1 ILE 10 -1.412 -4.699 -15.204 71 HD13 ILE 10 2HD1 ILE 10 -1.724 -6.315 -15.870 72 H CYS 11 H CYS 11 -2.152 -1.248 -13.284 73 HA CYS 11 HA CYS 11 -4.215 -0.344 -11.321 74 HB2 CYS 11 1HB CYS 11 -1.689 0.988 -12.328 75 HB3 CYS 11 2HB CYS 11 -3.012 1.893 -11.575 76 H SER 12 H SER 12 -6.011 -0.322 -12.505 77 HA SER 12 HA SER 12 -6.132 0.615 -15.260 78 HB2 SER 12 1HB SER 12 -7.797 -0.968 -14.315 79 HB3 SER 12 2HB SER 12 -8.319 0.278 -13.161 80 HG SER 12 HG SER 12 -9.527 -0.007 -15.246 81 H LEU 13 H LEU 13 -7.630 2.591 -15.707 82 HA LEU 13 HA LEU 13 -6.341 4.892 -14.799 83 HB2 LEU 13 1HB LEU 13 -8.062 6.143 -15.878 84 HB3 LEU 13 2HB LEU 13 -7.706 4.715 -16.832 85 HG LEU 13 HG LEU 13 -9.851 3.846 -15.335 86 HD11 LEU 13 1HD1 LEU 13 -10.231 6.092 -14.388 87 HD12 LEU 13 2HD1 LEU 13 -11.556 5.629 -15.469 88 HD13 LEU 13 3HD1 LEU 13 -10.321 6.779 -16.028 89 HD21 LEU 13 3HD2 LEU 13 -11.148 4.155 -17.401 90 HD22 LEU 13 1HD2 LEU 13 -9.522 3.526 -17.735 91 HD23 LEU 13 2HD2 LEU 13 -9.891 5.245 -18.031 92 H TYR 14 H TYR 14 -9.133 3.273 -13.321 93 HA TYR 14 HA TYR 14 -9.900 5.426 -11.616 94 HB2 TYR 14 1HB TYR 14 -10.115 2.480 -10.957 95 HB3 TYR 14 2HB TYR 14 -11.185 3.790 -10.445 96 HD1 TYR 14 HD1 TYR 14 -12.591 4.974 -12.285 97 HD2 TYR 14 HD2 TYR 14 -10.518 1.257 -12.943 98 HE1 TYR 14 HE1 TYR 14 -14.020 4.522 -14.283 99 HE2 TYR 14 HE2 TYR 14 -11.935 0.831 -14.958 100 HH TYR 14 HH TYR 14 -14.503 3.072 -15.992 101 H GLN 15 H GLN 15 -7.534 2.804 -11.232 102 HA GLN 15 HA GLN 15 -6.909 3.383 -8.458 103 HB2 GLN 15 1HB GLN 15 -5.402 1.930 -10.664 104 HB3 GLN 15 2HB GLN 15 -4.845 2.017 -8.996 105 HG2 GLN 15 1HG GLN 15 -7.521 0.823 -9.812 106 HG3 GLN 15 2HG GLN 15 -6.029 -0.114 -9.628 107 HE21 GLN 15 2HE2 GLN 15 -8.788 0.472 -8.083 108 HE22 GLN 15 1HE2 GLN 15 -8.241 0.416 -6.426 109 H LEU 16 H LEU 16 -5.672 4.322 -11.643 110 HA LEU 16 HA LEU 16 -3.359 5.700 -10.691 111 HB2 LEU 16 1HB LEU 16 -4.944 5.927 -13.255 112 HB3 LEU 16 2HB LEU 16 -3.417 6.760 -12.973 113 HG LEU 16 HG LEU 16 -3.768 3.742 -12.862 114 HD11 LEU 16 1HD1 LEU 16 -2.627 3.694 -15.016 115 HD12 LEU 16 2HD1 LEU 16 -2.612 5.475 -15.062 116 HD13 LEU 16 3HD1 LEU 16 -4.152 4.585 -15.121 117 HD21 LEU 16 3HD2 LEU 16 -1.296 5.510 -12.855 118 HD22 LEU 16 1HD2 LEU 16 -1.285 3.739 -13.026 119 HD23 LEU 16 2HD2 LEU 16 -1.873 4.473 -11.528 120 H GLU 17 H GLU 17 -6.715 6.815 -11.182 121 HA GLU 17 HA GLU 17 -6.242 9.598 -10.992 122 HB2 GLU 17 1HB GLU 17 -8.539 7.825 -10.136 123 HB3 GLU 17 2HB GLU 17 -8.599 9.582 -9.933 124 HG2 GLU 17 1HG GLU 17 -8.355 9.929 -12.313 125 HG3 GLU 17 2HG GLU 17 -8.106 8.212 -12.584 126 HE2 GLU 17 HE2 GLU 17 -9.903 9.761 -13.709 127 H ASN 18 H ASN 18 -6.092 7.160 -8.455 128 HA ASN 18 HA ASN 18 -6.406 8.924 -6.222 129 HB2 ASN 18 1HB ASN 18 -4.928 6.290 -6.482 130 HB3 ASN 18 2HB ASN 18 -5.185 7.136 -4.955 131 HD21 ASN 18 2HD2 ASN 18 -6.293 4.674 -6.728 132 HD22 ASN 18 1HD2 ASN 18 -7.971 4.675 -6.229 133 H TYR 19 H TYR 19 -3.659 8.374 -8.348 134 HA TYR 19 HA TYR 19 -1.594 9.351 -6.552 135 HB2 TYR 19 1HB TYR 19 -1.897 9.122 -9.547 136 HB3 TYR 19 2HB TYR 19 -0.475 9.868 -8.849 137 HD1 TYR 19 HD2 TYR 19 -2.412 6.638 -8.875 138 HD2 TYR 19 HD1 TYR 19 1.355 8.588 -8.145 139 HE1 TYR 19 HE2 TYR 19 -1.300 4.423 -8.668 140 HE2 TYR 19 HE1 TYR 19 2.458 6.368 -7.959 141 HH TYR 19 HH TYR 19 0.675 3.311 -8.264 142 H CYS 20 H CYS 20 -4.138 10.807 -8.389 143 HA CYS 20 HA CYS 20 -2.823 13.480 -8.318 144 HB2 CYS 20 1HB CYS 20 -5.311 12.607 -9.810 145 HB3 CYS 20 2HB CYS 20 -4.314 14.047 -10.109 146 H ASN 21 H ASN 21 -3.651 12.513 -5.926 147 HA ASN 21 HA ASN 21 -6.380 13.254 -5.260 148 HB2 ASN 21 1HB ASN 21 -4.989 11.503 -4.031 149 HB3 ASN 21 2HB ASN 21 -4.025 12.816 -3.354 150 HD21 ASN 21 2HD2 ASN 21 -6.895 10.970 -3.153 151 HD22 ASN 21 1HD2 ASN 21 -7.632 11.855 -1.840 152 HXT ASN 21 H02 ASN 21 -6.117 16.394 -4.229 153 H1 PHE 1 3H0 PHE 1 -9.018 4.145 -22.574 154 H2 PHE 1 2H0 PHE 1 -8.529 3.002 -23.657 155 H3 PHE 1 1H0 PHE 1 -9.521 2.583 -22.411 156 HA PHE 1 HA PHE 1 -6.734 3.503 -22.163 157 HB2 PHE 1 1HB PHE 1 -8.401 4.153 -20.330 158 HB3 PHE 1 2HB PHE 1 -8.565 2.426 -19.989 159 HD1 PHE 1 HD1 PHE 1 -6.093 5.235 -20.149 160 HD2 PHE 1 HD2 PHE 1 -6.968 1.307 -18.603 161 HE1 PHE 1 HE1 PHE 1 -4.060 5.347 -18.724 162 HE2 PHE 1 HE2 PHE 1 -4.930 1.417 -17.173 163 HZ PHE 1 HZ PHE 1 -3.466 3.433 -17.248 164 H VAL 2 H VAL 2 -5.271 1.735 -21.335 165 HA VAL 2 HA VAL 2 -6.354 -0.981 -21.894 166 HB VAL 2 HB VAL 2 -5.191 -0.302 -23.958 167 HG11 VAL 2 1HG1 VAL 2 -3.722 1.465 -23.101 168 HG12 VAL 2 2HG1 VAL 2 -2.761 0.267 -22.207 169 HG13 VAL 2 3HG1 VAL 2 -2.777 0.255 -23.983 170 HG21 VAL 2 3HG2 VAL 2 -4.969 -2.654 -23.200 171 HG22 VAL 2 1HG2 VAL 2 -3.563 -2.113 -24.136 172 HG23 VAL 2 2HG2 VAL 2 -3.453 -2.237 -22.366 173 H ASN 3 H ASN 3 -5.681 -2.479 -20.424 174 HA ASN 3 HA ASN 3 -4.349 -1.442 -18.040 175 HB2 ASN 3 1HB ASN 3 -5.437 -4.159 -18.845 176 HB3 ASN 3 2HB ASN 3 -4.559 -3.884 -17.339 177 HD21 ASN 3 2HD2 ASN 3 -7.438 -4.601 -18.006 178 HD22 ASN 3 1HD2 ASN 3 -8.379 -3.440 -17.102 179 H GLN 4 H GLN 4 -2.287 -1.681 -17.480 180 HA GLN 4 HA GLN 4 -0.725 -3.957 -18.350 181 HB2 GLN 4 1HB GLN 4 1.091 -2.618 -19.367 182 HB3 GLN 4 2HB GLN 4 -0.388 -2.504 -20.321 183 HG2 GLN 4 1HG GLN 4 -0.857 -0.283 -19.237 184 HG3 GLN 4 2HG GLN 4 0.716 -0.395 -18.437 185 HE21 GLN 4 2HE2 GLN 4 -0.824 -0.477 -21.646 186 HE22 GLN 4 1HE2 GLN 4 0.494 0.311 -22.480 187 H HIS 5 H HIS 5 1.112 -4.070 -17.013 188 HA HIS 5 HA HIS 5 1.009 -2.650 -14.472 189 HB2 HIS 5 1HB HIS 5 3.295 -4.209 -15.752 190 HB3 HIS 5 2HB HIS 5 3.196 -3.697 -14.066 191 HD1 HIS 5 HD1 HIS 5 0.498 -4.580 -13.142 192 HD2 HIS 5 HD2 HIS 5 2.794 -6.882 -15.701 193 HE1 HIS 5 HE1 HIS 5 -0.345 -6.999 -12.960 194 HE2 HIS 5 HE2 HIS 5 1.088 -8.369 -14.510 195 H LEU 6 H LEU 6 2.345 -0.919 -13.816 196 HA LEU 6 HA LEU 6 3.783 0.500 -16.033 197 HB2 LEU 6 1HB LEU 6 1.775 1.590 -14.042 198 HB3 LEU 6 2HB LEU 6 2.814 2.599 -15.035 199 HG LEU 6 HG LEU 6 0.835 0.652 -16.233 200 HD11 LEU 6 1HD1 LEU 6 0.447 3.574 -15.514 201 HD12 LEU 6 2HD1 LEU 6 -0.398 2.176 -14.806 202 HD13 LEU 6 3HD1 LEU 6 -0.662 2.600 -16.508 203 HD21 LEU 6 3HD2 LEU 6 2.253 3.115 -17.323 204 HD22 LEU 6 1HD2 LEU 6 1.033 2.164 -18.193 205 HD23 LEU 6 2HD2 LEU 6 2.581 1.418 -17.765 206 H CYS 7 H CYS 7 5.847 0.732 -15.442 207 HA CYS 7 HA CYS 7 6.429 1.235 -12.548 208 HB2 CYS 7 1HB CYS 7 8.229 -0.084 -14.607 209 HB3 CYS 7 2HB CYS 7 8.537 0.062 -12.876 210 H GLY 8 H GLY 8 8.104 2.753 -12.097 211 HA2 GLY 8 1HA GLY 8 9.365 4.646 -12.466 212 HA3 GLY 8 2HA GLY 8 9.869 3.836 -13.952 213 H SER 9 H SER 9 9.927 5.407 -15.421 214 HA SER 9 HA SER 9 8.264 7.661 -15.511 215 HB2 SER 9 1HB SER 9 9.477 6.392 -17.967 216 HB3 SER 9 2HB SER 9 9.317 8.116 -17.557 217 HG SER 9 HG SER 9 11.421 7.544 -17.138 218 H HIS 10 H HIS 10 7.608 4.406 -16.800 219 HA HIS 10 HA HIS 10 5.598 5.221 -18.685 220 HB2 HIS 10 1HB HIS 10 6.407 2.695 -17.368 221 HB3 HIS 10 2HB HIS 10 4.707 2.781 -17.824 222 HD1 HIS 10 HD1 HIS 10 4.127 2.292 -20.243 223 HD2 HIS 10 HD2 HIS 10 8.197 3.140 -19.672 224 HE1 HIS 10 HE1 HIS 10 5.289 1.904 -22.478 225 HE2 HIS 10 HE2 HIS 10 7.740 2.427 -22.117 226 H LEU 11 H LEU 11 5.529 4.665 -15.189 227 HA LEU 11 HA LEU 11 2.657 4.761 -14.954 228 HB2 LEU 11 1HB LEU 11 4.198 3.840 -13.235 229 HB3 LEU 11 2HB LEU 11 4.852 5.451 -12.970 230 HG LEU 11 HG LEU 11 2.680 6.212 -12.094 231 HD11 LEU 11 1HD1 LEU 11 0.972 4.513 -11.509 232 HD12 LEU 11 2HD1 LEU 11 1.871 3.306 -12.455 233 HD13 LEU 11 3HD1 LEU 11 1.148 4.721 -13.259 234 HD21 LEU 11 3HD2 LEU 11 2.844 4.979 -10.006 235 HD22 LEU 11 1HD2 LEU 11 4.463 5.288 -10.656 236 HD23 LEU 11 2HD2 LEU 11 3.732 3.667 -10.813 237 H VAL 12 H VAL 12 5.267 7.173 -14.718 238 HA VAL 12 HA VAL 12 3.610 9.380 -14.008 239 HB VAL 12 HB VAL 12 6.262 9.338 -15.535 240 HG11 VAL 12 1HG1 VAL 12 6.573 11.623 -14.710 241 HG12 VAL 12 2HG1 VAL 12 5.105 11.511 -15.698 242 HG13 VAL 12 3HG1 VAL 12 4.979 11.573 -13.927 243 HG21 VAL 12 3HG2 VAL 12 5.668 9.496 -12.543 244 HG22 VAL 12 1HG2 VAL 12 6.489 8.169 -13.398 245 HG23 VAL 12 2HG2 VAL 12 7.270 9.754 -13.273 246 H GLU 13 H GLU 13 4.678 8.103 -17.177 247 HA GLU 13 HA GLU 13 3.521 10.162 -18.787 248 HB2 GLU 13 1HB GLU 13 4.096 7.226 -19.289 249 HB3 GLU 13 2HB GLU 13 3.479 8.303 -20.545 250 HG2 GLU 13 1HG GLU 13 5.457 9.657 -20.481 251 HG3 GLU 13 2HG GLU 13 6.051 8.838 -19.034 252 HE2 GLU 13 HE2 GLU 13 6.007 8.948 -22.208 253 H ALA 14 H ALA 14 2.180 7.205 -17.348 254 HA ALA 14 HA ALA 14 -0.302 7.332 -18.821 255 HB1 ALA 14 3HB ALA 14 -1.062 5.648 -17.214 256 HB2 ALA 14 1HB ALA 14 0.584 5.264 -17.772 257 HB3 ALA 14 2HB ALA 14 0.334 5.989 -16.165 258 H LEU 15 H LEU 15 0.819 8.608 -15.683 259 HA LEU 15 HA LEU 15 -1.755 9.383 -14.736 260 HB2 LEU 15 1HB LEU 15 1.030 10.408 -14.150 261 HB3 LEU 15 2HB LEU 15 -0.400 11.028 -13.336 262 HG LEU 15 HG LEU 15 0.497 8.136 -13.233 263 HD11 LEU 15 1HD1 LEU 15 2.078 9.651 -12.100 264 HD12 LEU 15 2HD1 LEU 15 1.215 8.595 -10.966 265 HD13 LEU 15 3HD1 LEU 15 0.735 10.300 -11.130 266 HD21 LEU 15 3HD2 LEU 15 -1.891 8.364 -12.953 267 HD22 LEU 15 1HD2 LEU 15 -1.646 9.645 -11.749 268 HD23 LEU 15 2HD2 LEU 15 -1.127 7.978 -11.407 269 H TYR 16 H TYR 16 0.508 11.033 -16.930 270 HA TYR 16 HA TYR 16 -0.787 13.590 -16.880 271 HB2 TYR 16 1HB TYR 16 0.758 12.104 -19.029 272 HB3 TYR 16 2HB TYR 16 0.012 13.671 -19.341 273 HD1 TYR 16 HD1 TYR 16 0.653 15.664 -17.821 274 HD2 TYR 16 HD2 TYR 16 2.923 12.018 -18.021 275 HE1 TYR 16 HE1 TYR 16 2.640 16.841 -16.870 276 HE2 TYR 16 HE2 TYR 16 4.912 13.212 -17.096 277 HH TYR 16 HH TYR 16 4.822 16.657 -16.201 278 H LEU 17 H LEU 17 -1.470 10.610 -18.727 279 HA LEU 17 HA LEU 17 -3.548 11.841 -20.308 280 HB2 LEU 17 1HB LEU 17 -3.100 8.927 -19.599 281 HB3 LEU 17 2HB LEU 17 -4.167 9.540 -20.853 282 HG LEU 17 HG LEU 17 -1.147 9.879 -20.854 283 HD11 LEU 17 1HD1 LEU 17 -1.803 7.504 -20.964 284 HD12 LEU 17 2HD1 LEU 17 -1.128 8.063 -22.511 285 HD13 LEU 17 3HD1 LEU 17 -2.888 7.863 -22.331 286 HD21 LEU 17 3HD2 LEU 17 -1.474 10.395 -23.261 287 HD22 LEU 17 1HD2 LEU 17 -2.280 11.574 -22.212 288 HD23 LEU 17 2HD2 LEU 17 -3.237 10.315 -23.029 289 H VAL 18 H VAL 18 -3.555 9.827 -17.363 290 HA VAL 18 HA VAL 18 -6.427 9.536 -17.340 291 HB VAL 18 HB VAL 18 -4.306 9.073 -15.190 292 HG11 VAL 18 1HG1 VAL 18 -7.253 8.316 -15.219 293 HG12 VAL 18 2HG1 VAL 18 -6.050 7.644 -14.095 294 HG13 VAL 18 3HG1 VAL 18 -6.418 9.371 -14.054 295 HG21 VAL 18 3HG2 VAL 18 -4.634 6.703 -15.792 296 HG22 VAL 18 1HG2 VAL 18 -5.784 7.178 -17.056 297 HG23 VAL 18 2HG2 VAL 18 -4.078 7.652 -17.174 298 H CYS 19 H CYS 19 -4.156 11.688 -15.651 299 HA CYS 19 HA CYS 19 -6.449 12.899 -14.223 300 HB2 CYS 19 1HB CYS 19 -3.458 13.301 -13.957 301 HB3 CYS 19 2HB CYS 19 -4.696 14.064 -12.933 302 H GLY 20 H GLY 20 -4.797 13.365 -17.141 303 HA2 GLY 20 1HA GLY 20 -5.150 14.982 -18.715 304 HA3 GLY 20 2HA GLY 20 -6.430 15.627 -17.683 305 H GLU 21 H GLU 21 -5.904 17.670 -18.401 306 HA GLU 21 HA GLU 21 -3.332 18.880 -18.145 307 HB2 GLU 21 1HB GLU 21 -6.119 20.084 -18.273 308 HB3 GLU 21 2HB GLU 21 -4.618 21.001 -18.454 309 HG2 GLU 21 1HG GLU 21 -4.047 19.725 -20.469 310 HG3 GLU 21 2HG GLU 21 -5.509 18.743 -20.285 311 HE2 GLU 21 HE2 GLU 21 -4.246 21.114 -21.781 312 H ARG 22 H ARG 22 -5.419 17.965 -15.644 313 HA ARG 22 HA ARG 22 -5.191 20.229 -13.886 314 HB2 ARG 22 1HB ARG 22 -5.446 17.292 -13.217 315 HB3 ARG 22 2HB ARG 22 -5.725 18.634 -12.104 316 HG2 ARG 22 1HG ARG 22 -7.613 19.400 -13.570 317 HG3 ARG 22 2HG ARG 22 -7.384 17.930 -14.547 318 HD2 ARG 22 1HD ARG 22 -8.007 18.047 -11.578 319 HD3 ARG 22 2HD ARG 22 -9.138 17.571 -12.865 320 HE ARG 22 HE ARG 22 -7.068 15.854 -13.270 321 HH11 ARG 22 1HH1 ARG 22 -8.789 16.663 -10.282 322 HH12 ARG 22 2HH1 ARG 22 -8.472 15.106 -9.567 323 HH21 ARG 22 1HH2 ARG 22 -6.741 13.878 -12.286 324 HH22 ARG 22 2HH2 ARG 22 -7.340 13.568 -10.678 325 H GLY 23 H GLY 23 -3.042 17.600 -14.741 326 HA2 GLY 23 1HA GLY 23 -0.776 17.386 -14.176 327 HA3 GLY 23 2HA GLY 23 -0.934 18.735 -13.032 328 H PHE 24 H PHE 24 0.460 16.875 -11.945 329 HA PHE 24 HA PHE 24 -1.138 15.719 -9.828 330 HB2 PHE 24 1HB PHE 24 -0.577 13.374 -10.281 331 HB3 PHE 24 2HB PHE 24 -1.572 14.040 -11.578 332 HD1 PHE 24 HD2 PHE 24 -0.652 14.486 -13.794 333 HD2 PHE 24 HD1 PHE 24 1.722 12.726 -10.689 334 HE1 PHE 24 HE2 PHE 24 1.040 13.816 -15.466 335 HE2 PHE 24 HE1 PHE 24 3.415 12.038 -12.352 336 HZ PHE 24 HZ PHE 24 3.082 12.597 -14.769 337 H PHE 25 H PHE 25 0.574 14.167 -8.583 338 HA PHE 25 HA PHE 25 3.289 15.373 -8.867 339 HB2 PHE 25 1HB PHE 25 3.488 15.358 -6.410 340 HB3 PHE 25 2HB PHE 25 2.194 16.430 -6.952 341 HD1 PHE 25 HD2 PHE 25 2.968 13.241 -5.236 342 HD2 PHE 25 HD1 PHE 25 -0.146 15.950 -6.458 343 HE1 PHE 25 HE2 PHE 25 1.355 12.045 -3.764 344 HE2 PHE 25 HE1 PHE 25 -1.762 14.767 -4.984 345 HZ PHE 25 HZ PHE 25 -1.021 12.801 -3.643 346 H TYR 26 H TYR 26 4.965 13.962 -7.836 347 HA TYR 26 HA TYR 26 4.186 11.094 -7.675 348 HB2 TYR 26 1HB TYR 26 4.911 11.453 -9.999 349 HB3 TYR 26 2HB TYR 26 6.399 12.231 -9.429 350 HD1 TYR 26 HD1 TYR 26 4.504 8.992 -9.366 351 HD2 TYR 26 HD2 TYR 26 8.315 10.927 -8.845 352 HE1 TYR 26 HE1 TYR 26 5.614 6.774 -9.189 353 HE2 TYR 26 HE2 TYR 26 9.417 8.701 -8.680 354 HH TYR 26 HH TYR 26 9.149 6.455 -8.694 355 H THR 27 H THR 27 5.480 9.955 -6.234 356 HA THR 27 HA THR 27 7.279 11.662 -4.588 357 HB THR 27 HB THR 27 6.875 9.927 -2.820 358 HG1 THR 27 HG1 THR 27 6.307 8.263 -4.356 359 HG21 THR 27 1HG2 THR 27 4.602 10.617 -2.300 360 HG22 THR 27 2HG2 THR 27 4.303 11.080 -3.988 361 HG23 THR 27 3HG2 THR 27 5.465 12.003 -3.001 362 HA PRO 28 HA PRO 28 10.306 8.706 -6.292 363 HB2 PRO 28 1HB PRO 28 12.508 10.284 -6.203 364 HB3 PRO 28 2HB PRO 28 11.262 10.512 -7.474 365 HG2 PRO 28 1HG PRO 28 11.608 11.986 -4.873 366 HG3 PRO 28 2HG PRO 28 11.421 12.652 -6.526 367 HD2 PRO 28 1HD PRO 28 9.328 12.411 -4.798 368 HD3 PRO 28 2HD PRO 28 9.130 12.203 -6.572 369 H LYS 29 H LYS 29 12.462 7.931 -5.244 370 HA LYS 29 HA LYS 29 12.379 8.383 -2.288 371 HB2 LYS 29 1HB LYS 29 13.353 6.086 -2.069 372 HB3 LYS 29 2HB LYS 29 11.670 6.148 -2.567 373 HG2 LYS 29 1HG LYS 29 12.068 5.278 -4.660 374 HG3 LYS 29 2HG LYS 29 13.695 5.939 -4.772 375 HD2 LYS 29 1HD LYS 29 12.903 3.599 -2.987 376 HD3 LYS 29 2HD LYS 29 13.638 3.440 -4.588 377 HE2 LYS 29 1HE LYS 29 14.923 4.714 -2.123 378 HE3 LYS 29 2HE LYS 29 15.339 3.153 -2.841 379 HZ1 LYS 29 3HZ LYS 29 16.917 4.816 -3.509 380 HZ2 LYS 29 1HZ LYS 29 15.741 5.815 -4.093 381 HZ3 LYS 29 2HZ LYS 29 16.057 4.374 -4.843 382 H THR 30 H THR 30 13.842 9.955 -2.148 383 HA THR 30 HA THR 30 16.638 9.267 -2.872 384 HB THR 30 HB THR 30 15.768 10.743 -4.686 385 HG1 THR 30 HG1 THR 30 17.400 12.447 -4.286 386 HG21 THR 30 1HG2 THR 30 15.345 12.815 -2.451 387 HG22 THR 30 2HG2 THR 30 14.057 12.050 -3.403 388 HG23 THR 30 3HG2 THR 30 15.219 13.122 -4.189 389 HXT THR 30 H02 THR 30 17.878 11.059 -2.025 Start of MODEL 16 1 H1 GLY 1 3H0 GLY 1 1.268 -1.133 -1.240 2 H2 GLY 1 2H0 GLY 1 2.799 -0.758 -1.731 3 H3 GLY 1 1H0 GLY 1 2.348 -0.501 -0.165 4 HA2 GLY 1 1HA GLY 1 0.789 1.181 -0.808 5 HA3 GLY 1 2HA GLY 1 2.429 1.567 -1.372 6 H ILE 2 H ILE 2 0.417 2.848 -2.644 7 HA ILE 2 HA ILE 2 -0.855 1.426 -4.730 8 HB ILE 2 HB ILE 2 -1.506 3.665 -3.794 9 HG12 ILE 2 1HG1 ILE 2 -1.208 3.584 -6.812 10 HG13 ILE 2 2HG1 ILE 2 -2.422 2.697 -5.890 11 HG21 ILE 2 1HG2 ILE 2 0.805 4.711 -3.844 12 HG22 ILE 2 2HG2 ILE 2 0.663 4.840 -5.611 13 HG23 ILE 2 3HG2 ILE 2 -0.455 5.730 -4.557 14 HD11 ILE 2 3HD1 ILE 2 -3.295 4.910 -5.031 15 HD12 ILE 2 1HD1 ILE 2 -2.169 5.728 -6.150 16 HD13 ILE 2 2HD1 ILE 2 -3.453 4.681 -6.786 17 H VAL 3 H VAL 3 2.351 3.010 -4.712 18 HA VAL 3 HA VAL 3 2.682 2.809 -7.543 19 HB VAL 3 HB VAL 3 4.004 4.374 -6.192 20 HG11 VAL 3 1HG1 VAL 3 5.851 3.669 -4.779 21 HG12 VAL 3 2HG1 VAL 3 4.341 2.966 -4.176 22 HG13 VAL 3 3HG1 VAL 3 5.495 1.960 -5.092 23 HG21 VAL 3 3HG2 VAL 3 4.842 3.591 -8.399 24 HG22 VAL 3 1HG2 VAL 3 6.151 4.064 -7.296 25 HG23 VAL 3 2HG2 VAL 3 5.799 2.340 -7.579 26 H GLU 4 H GLU 4 3.392 0.523 -4.881 27 HA GLU 4 HA GLU 4 4.798 -1.332 -6.574 28 HB2 GLU 4 1HB GLU 4 3.230 -1.721 -4.001 29 HB3 GLU 4 2HB GLU 4 4.028 -3.040 -4.856 30 HG2 GLU 4 1HG GLU 4 5.572 -2.433 -3.236 31 HG3 GLU 4 2HG GLU 4 6.167 -1.667 -4.714 32 HE2 GLU 4 HE2 GLU 4 7.230 -0.335 -3.539 33 H GLN 5 H GLN 5 1.349 -0.899 -5.721 34 HA GLN 5 HA GLN 5 0.407 -3.265 -6.957 35 HB2 GLN 5 1HB GLN 5 -0.861 -1.715 -5.440 36 HB3 GLN 5 2HB GLN 5 -1.026 -0.587 -6.792 37 HG2 GLN 5 1HG GLN 5 -2.358 -2.164 -8.039 38 HG3 GLN 5 2HG GLN 5 -2.011 -3.453 -6.876 39 HE21 GLN 5 2HE2 GLN 5 -4.365 -3.650 -6.799 40 HE22 GLN 5 1HE2 GLN 5 -5.247 -2.614 -5.707 41 H CYS 6 H CYS 6 1.032 -0.009 -8.324 42 HA CYS 6 HA CYS 6 0.076 -0.762 -10.961 43 HB2 CYS 6 1HB CYS 6 1.814 1.521 -9.976 44 HB3 CYS 6 2HB CYS 6 1.319 1.324 -11.656 45 H CYS 7 H CYS 7 3.294 -0.739 -9.383 46 HA CYS 7 HA CYS 7 4.716 -1.192 -11.835 47 HB2 CYS 7 1HB CYS 7 5.444 -1.675 -8.931 48 HB3 CYS 7 2HB CYS 7 6.566 -1.935 -10.272 49 H THR 8 H THR 8 3.659 -3.433 -9.218 50 HA THR 8 HA THR 8 4.838 -5.662 -10.718 51 HB THR 8 HB THR 8 4.992 -5.333 -8.174 52 HG1 THR 8 HG1 THR 8 5.420 -7.315 -9.427 53 HG21 THR 8 1HG2 THR 8 2.355 -6.812 -8.108 54 HG22 THR 8 2HG2 THR 8 2.416 -5.043 -7.950 55 HG23 THR 8 3HG2 THR 8 3.257 -6.068 -6.772 56 H SER 9 H SER 9 1.642 -4.287 -10.351 57 HA SER 9 HA SER 9 0.627 -6.550 -11.981 58 HB2 SER 9 1HB SER 9 0.126 -6.895 -9.479 59 HB3 SER 9 2HB SER 9 -0.925 -5.468 -9.584 60 HG SER 9 HG SER 9 -1.911 -7.627 -9.942 61 H ILE 10 H ILE 10 -2.054 -5.728 -12.132 62 HA ILE 10 HA ILE 10 -1.594 -3.289 -13.784 63 HB ILE 10 HB ILE 10 -4.019 -5.149 -13.794 64 HG12 ILE 10 1HG1 ILE 10 -1.970 -6.397 -14.442 65 HG13 ILE 10 2HG1 ILE 10 -3.172 -6.271 -15.716 66 HG21 ILE 10 1HG2 ILE 10 -4.490 -2.911 -14.690 67 HG22 ILE 10 2HG2 ILE 10 -3.065 -3.000 -15.755 68 HG23 ILE 10 3HG2 ILE 10 -4.457 -4.087 -16.015 69 HD11 ILE 10 3HD1 ILE 10 -0.800 -5.993 -16.479 70 HD12 ILE 10 1HD1 ILE 10 -1.877 -4.658 -16.924 71 HD13 ILE 10 2HD1 ILE 10 -0.741 -4.466 -15.571 72 H CYS 11 H CYS 11 -1.987 -1.448 -12.634 73 HA CYS 11 HA CYS 11 -4.321 -1.438 -10.794 74 HB2 CYS 11 1HB CYS 11 -3.563 0.750 -10.094 75 HB3 CYS 11 2HB CYS 11 -2.238 -0.406 -9.984 76 H SER 12 H SER 12 -6.143 -0.170 -11.260 77 HA SER 12 HA SER 12 -6.571 0.159 -14.146 78 HB2 SER 12 1HB SER 12 -8.906 0.492 -13.523 79 HB3 SER 12 2HB SER 12 -8.250 -0.916 -12.661 80 HG SER 12 HG SER 12 -9.199 0.199 -11.081 81 H LEU 13 H LEU 13 -7.834 2.148 -14.903 82 HA LEU 13 HA LEU 13 -6.304 4.489 -14.404 83 HB2 LEU 13 1HB LEU 13 -7.839 5.640 -15.808 84 HB3 LEU 13 2HB LEU 13 -7.568 4.038 -16.469 85 HG LEU 13 HG LEU 13 -9.851 3.553 -15.089 86 HD11 LEU 13 1HD1 LEU 13 -10.042 6.463 -15.997 87 HD12 LEU 13 2HD1 LEU 13 -10.116 5.884 -14.317 88 HD13 LEU 13 3HD1 LEU 13 -11.402 5.453 -15.457 89 HD21 LEU 13 3HD2 LEU 13 -9.647 4.773 -17.869 90 HD22 LEU 13 1HD2 LEU 13 -11.008 3.809 -17.246 91 HD23 LEU 13 2HD2 LEU 13 -9.414 3.055 -17.456 92 H TYR 14 H TYR 14 -9.156 3.206 -12.803 93 HA TYR 14 HA TYR 14 -9.950 5.645 -11.519 94 HB2 TYR 14 1HB TYR 14 -10.292 2.834 -10.444 95 HB3 TYR 14 2HB TYR 14 -11.325 4.239 -10.153 96 HD1 TYR 14 HD2 TYR 14 -12.508 5.254 -12.305 97 HD2 TYR 14 HD1 TYR 14 -10.826 1.297 -12.125 98 HE1 TYR 14 HE2 TYR 14 -13.890 4.569 -14.272 99 HE2 TYR 14 HE1 TYR 14 -12.193 0.631 -14.111 100 HH TYR 14 HH TYR 14 -14.461 2.870 -15.702 101 H GLN 15 H GLN 15 -7.703 3.011 -10.701 102 HA GLN 15 HA GLN 15 -7.032 4.011 -8.069 103 HB2 GLN 15 1HB GLN 15 -5.490 2.230 -9.972 104 HB3 GLN 15 2HB GLN 15 -5.070 2.557 -8.290 105 HG2 GLN 15 1HG GLN 15 -7.513 1.743 -7.823 106 HG3 GLN 15 2HG GLN 15 -7.336 0.948 -9.397 107 HE21 GLN 15 2HE2 GLN 15 -6.269 1.144 -6.104 108 HE22 GLN 15 1HE2 GLN 15 -5.246 -0.264 -6.124 109 H LEU 16 H LEU 16 -5.793 4.497 -11.369 110 HA LEU 16 HA LEU 16 -3.467 5.958 -10.622 111 HB2 LEU 16 1HB LEU 16 -5.116 5.934 -13.145 112 HB3 LEU 16 2HB LEU 16 -3.664 6.913 -12.973 113 HG LEU 16 HG LEU 16 -3.724 3.894 -12.631 114 HD11 LEU 16 1HD1 LEU 16 -2.810 5.530 -15.020 115 HD12 LEU 16 2HD1 LEU 16 -4.284 4.536 -14.943 116 HD13 LEU 16 3HD1 LEU 16 -2.699 3.763 -14.835 117 HD21 LEU 16 3HD2 LEU 16 -1.426 5.869 -12.914 118 HD22 LEU 16 1HD2 LEU 16 -1.264 4.098 -12.915 119 HD23 LEU 16 2HD2 LEU 16 -1.844 4.928 -11.465 120 H GLU 17 H GLU 17 -6.858 7.013 -10.991 121 HA GLU 17 HA GLU 17 -6.295 9.814 -10.932 122 HB2 GLU 17 1HB GLU 17 -8.702 8.256 -9.945 123 HB3 GLU 17 2HB GLU 17 -8.593 10.017 -9.928 124 HG2 GLU 17 1HG GLU 17 -8.060 9.821 -12.433 125 HG3 GLU 17 2HG GLU 17 -8.706 8.180 -12.300 126 HE2 GLU 17 HE2 GLU 17 -11.899 9.225 -12.159 127 H ASN 18 H ASN 18 -6.083 7.444 -8.348 128 HA ASN 18 HA ASN 18 -6.465 9.266 -6.168 129 HB2 ASN 18 1HB ASN 18 -4.823 6.721 -6.301 130 HB3 ASN 18 2HB ASN 18 -5.223 7.591 -4.819 131 HD21 ASN 18 2HD2 ASN 18 -5.885 4.861 -5.650 132 HD22 ASN 18 1HD2 ASN 18 -7.629 4.770 -5.567 133 H TYR 19 H TYR 19 -3.763 8.703 -8.325 134 HA TYR 19 HA TYR 19 -1.676 9.828 -6.655 135 HB2 TYR 19 1HB TYR 19 -2.025 9.464 -9.627 136 HB3 TYR 19 2HB TYR 19 -0.576 10.166 -8.948 137 HD1 TYR 19 HD1 TYR 19 -2.549 7.024 -9.161 138 HD2 TYR 19 HD2 TYR 19 1.136 8.842 -7.921 139 HE1 TYR 19 HE1 TYR 19 -1.517 4.775 -8.952 140 HE2 TYR 19 HE2 TYR 19 2.158 6.584 -7.694 141 HH TYR 19 HH TYR 19 0.349 3.593 -8.472 142 H CYS 20 H CYS 20 -4.348 11.150 -8.423 143 HA CYS 20 HA CYS 20 -3.344 13.906 -7.906 144 HB2 CYS 20 1HB CYS 20 -4.577 14.566 -10.012 145 HB3 CYS 20 2HB CYS 20 -3.084 13.670 -10.240 146 H ASN 21 H ASN 21 -4.671 12.548 -6.102 147 HA ASN 21 HA ASN 21 -6.365 12.550 -4.637 148 HB2 ASN 21 1HB ASN 21 -6.334 14.971 -4.732 149 HB3 ASN 21 2HB ASN 21 -7.280 14.959 -6.212 150 HD21 ASN 21 2HD2 ASN 21 -9.289 15.612 -5.841 151 HD22 ASN 21 1HD2 ASN 21 -10.252 15.157 -4.458 152 HXT ASN 21 H02 ASN 21 -9.120 11.817 -7.236 153 H1 PHE 1 3H0 PHE 1 -8.739 3.852 -22.361 154 H2 PHE 1 2H0 PHE 1 -8.193 2.822 -23.529 155 H3 PHE 1 1H0 PHE 1 -9.076 2.240 -22.265 156 HA PHE 1 HA PHE 1 -6.383 3.425 -22.089 157 HB2 PHE 1 1HB PHE 1 -7.997 3.828 -20.151 158 HB3 PHE 1 2HB PHE 1 -8.015 2.077 -19.907 159 HD1 PHE 1 HD1 PHE 1 -5.922 5.144 -19.765 160 HD2 PHE 1 HD2 PHE 1 -6.134 0.932 -18.879 161 HE1 PHE 1 HE1 PHE 1 -3.855 5.332 -18.388 162 HE2 PHE 1 HE2 PHE 1 -4.068 1.116 -17.503 163 HZ PHE 1 HZ PHE 1 -2.918 3.315 -17.269 164 H VAL 2 H VAL 2 -4.668 1.870 -21.853 165 HA VAL 2 HA VAL 2 -5.514 -0.920 -22.544 166 HB VAL 2 HB VAL 2 -2.888 0.517 -23.200 167 HG11 VAL 2 1HG1 VAL 2 -2.423 -1.508 -24.595 168 HG12 VAL 2 2HG1 VAL 2 -2.532 -1.897 -22.869 169 HG13 VAL 2 3HG1 VAL 2 -3.895 -2.272 -23.951 170 HG21 VAL 2 3HG2 VAL 2 -3.667 0.325 -25.578 171 HG22 VAL 2 1HG2 VAL 2 -5.240 -0.259 -24.988 172 HG23 VAL 2 2HG2 VAL 2 -4.693 1.391 -24.603 173 H ASN 3 H ASN 3 -4.985 -2.482 -21.111 174 HA ASN 3 HA ASN 3 -3.739 -1.731 -18.604 175 HB2 ASN 3 1HB ASN 3 -3.705 -4.266 -18.255 176 HB3 ASN 3 2HB ASN 3 -5.305 -3.493 -18.398 177 HD21 ASN 3 2HD2 ASN 3 -3.563 -6.123 -19.316 178 HD22 ASN 3 1HD2 ASN 3 -4.412 -6.530 -20.785 179 H GLN 4 H GLN 4 -1.733 -1.760 -18.014 180 HA GLN 4 HA GLN 4 0.094 -3.824 -18.917 181 HB2 GLN 4 1HB GLN 4 1.847 -2.262 -19.688 182 HB3 GLN 4 2HB GLN 4 0.441 -2.189 -20.753 183 HG2 GLN 4 1HG GLN 4 -0.304 -0.114 -19.608 184 HG3 GLN 4 2HG GLN 4 1.141 -0.185 -18.590 185 HE21 GLN 4 2HE2 GLN 4 -0.040 0.212 -21.882 186 HE22 GLN 4 1HE2 GLN 4 1.377 1.042 -22.478 187 H HIS 5 H HIS 5 1.825 -3.858 -17.432 188 HA HIS 5 HA HIS 5 1.353 -2.690 -14.820 189 HB2 HIS 5 1HB HIS 5 3.924 -3.843 -15.995 190 HB3 HIS 5 2HB HIS 5 3.611 -3.516 -14.287 191 HD1 HIS 5 HD1 HIS 5 0.979 -4.781 -13.711 192 HD2 HIS 5 HD2 HIS 5 3.748 -6.558 -16.241 193 HE1 HIS 5 HE1 HIS 5 0.410 -7.279 -13.826 194 HE2 HIS 5 HE2 HIS 5 2.123 -8.328 -15.347 195 H LEU 6 H LEU 6 2.298 -0.847 -13.922 196 HA LEU 6 HA LEU 6 3.694 0.955 -15.872 197 HB2 LEU 6 1HB LEU 6 1.410 1.550 -13.973 198 HB3 LEU 6 2HB LEU 6 2.353 2.791 -14.783 199 HG LEU 6 HG LEU 6 0.765 0.693 -16.272 200 HD11 LEU 6 1HD1 LEU 6 -0.921 2.475 -16.581 201 HD12 LEU 6 2HD1 LEU 6 -0.020 3.496 -15.435 202 HD13 LEU 6 3HD1 LEU 6 -0.753 1.968 -14.889 203 HD21 LEU 6 3HD2 LEU 6 0.924 2.379 -18.123 204 HD22 LEU 6 1HD2 LEU 6 2.488 1.694 -17.655 205 HD23 LEU 6 2HD2 LEU 6 2.030 3.328 -17.110 206 H CYS 7 H CYS 7 5.675 1.280 -15.103 207 HA CYS 7 HA CYS 7 5.935 2.143 -12.277 208 HB2 CYS 7 1HB CYS 7 6.523 -0.403 -12.845 209 HB3 CYS 7 2HB CYS 7 8.015 0.320 -13.455 210 H GLY 8 H GLY 8 7.925 3.418 -11.956 211 HA2 GLY 8 1HA GLY 8 9.440 5.022 -12.637 212 HA3 GLY 8 2HA GLY 8 9.760 3.969 -14.027 213 H SER 9 H SER 9 9.883 5.395 -15.676 214 HA SER 9 HA SER 9 8.313 7.734 -15.961 215 HB2 SER 9 1HB SER 9 9.071 7.607 -18.352 216 HB3 SER 9 2HB SER 9 10.384 7.441 -17.164 217 HG SER 9 HG SER 9 10.540 5.856 -18.791 218 H HIS 10 H HIS 10 7.565 4.373 -16.874 219 HA HIS 10 HA HIS 10 5.462 5.030 -18.728 220 HB2 HIS 10 1HB HIS 10 6.178 2.620 -17.088 221 HB3 HIS 10 2HB HIS 10 4.542 2.729 -17.729 222 HD1 HIS 10 HD1 HIS 10 4.286 1.475 -19.870 223 HD2 HIS 10 HD2 HIS 10 8.074 3.275 -19.511 224 HE1 HIS 10 HE1 HIS 10 5.575 0.928 -21.981 225 HE2 HIS 10 HE2 HIS 10 7.858 2.004 -21.756 226 H LEU 11 H LEU 11 5.543 4.682 -15.182 227 HA LEU 11 HA LEU 11 2.693 4.886 -14.853 228 HB2 LEU 11 1HB LEU 11 4.245 3.976 -13.150 229 HB3 LEU 11 2HB LEU 11 4.966 5.565 -12.956 230 HG LEU 11 HG LEU 11 2.906 6.438 -11.986 231 HD11 LEU 11 1HD1 LEU 11 1.819 3.626 -12.392 232 HD12 LEU 11 2HD1 LEU 11 1.211 5.126 -13.138 233 HD13 LEU 11 3HD1 LEU 11 1.057 4.886 -11.391 234 HD21 LEU 11 3HD2 LEU 11 2.997 5.168 -9.904 235 HD22 LEU 11 1HD2 LEU 11 4.628 5.314 -10.587 236 HD23 LEU 11 2HD2 LEU 11 3.733 3.783 -10.744 237 H VAL 12 H VAL 12 5.366 7.254 -14.819 238 HA VAL 12 HA VAL 12 3.785 9.514 -14.129 239 HB VAL 12 HB VAL 12 6.334 9.338 -15.812 240 HG11 VAL 12 1HG1 VAL 12 5.121 11.731 -14.384 241 HG12 VAL 12 2HG1 VAL 12 6.699 11.694 -15.199 242 HG13 VAL 12 3HG1 VAL 12 5.213 11.500 -16.144 243 HG21 VAL 12 3HG2 VAL 12 6.627 8.380 -13.564 244 HG22 VAL 12 1HG2 VAL 12 7.471 9.935 -13.672 245 HG23 VAL 12 2HG2 VAL 12 5.908 9.832 -12.828 246 H GLU 13 H GLU 13 4.645 8.170 -17.371 247 HA GLU 13 HA GLU 13 3.251 10.261 -18.771 248 HB2 GLU 13 1HB GLU 13 4.057 7.474 -19.649 249 HB3 GLU 13 2HB GLU 13 3.371 8.706 -20.718 250 HG2 GLU 13 1HG GLU 13 6.002 8.869 -19.218 251 HG3 GLU 13 2HG GLU 13 5.780 8.713 -20.964 252 HE2 GLU 13 HE2 GLU 13 4.622 12.030 -21.169 253 H ALA 14 H ALA 14 2.196 7.193 -17.383 254 HA ALA 14 HA ALA 14 -0.347 7.165 -18.767 255 HB1 ALA 14 3HB ALA 14 0.604 5.160 -17.703 256 HB2 ALA 14 1HB ALA 14 0.478 5.935 -16.107 257 HB3 ALA 14 2HB ALA 14 -0.995 5.545 -17.023 258 H LEU 15 H LEU 15 0.865 8.527 -15.695 259 HA LEU 15 HA LEU 15 -1.695 9.352 -14.734 260 HB2 LEU 15 1HB LEU 15 1.134 10.265 -14.172 261 HB3 LEU 15 2HB LEU 15 -0.257 11.011 -13.395 262 HG LEU 15 HG LEU 15 0.425 8.070 -13.169 263 HD11 LEU 15 1HD1 LEU 15 0.819 10.276 -11.137 264 HD12 LEU 15 2HD1 LEU 15 2.117 9.518 -12.088 265 HD13 LEU 15 3HD1 LEU 15 1.186 8.548 -10.929 266 HD21 LEU 15 3HD2 LEU 15 -1.930 8.488 -12.918 267 HD22 LEU 15 1HD2 LEU 15 -1.598 9.819 -11.791 268 HD23 LEU 15 2HD2 LEU 15 -1.213 8.139 -11.348 269 H TYR 16 H TYR 16 0.618 10.944 -16.928 270 HA TYR 16 HA TYR 16 -0.599 13.519 -16.931 271 HB2 TYR 16 1HB TYR 16 0.912 11.911 -18.989 272 HB3 TYR 16 2HB TYR 16 0.078 13.383 -19.484 273 HD1 TYR 16 HD2 TYR 16 0.616 15.579 -18.205 274 HD2 TYR 16 HD1 TYR 16 3.103 12.075 -18.047 275 HE1 TYR 16 HE2 TYR 16 2.549 16.968 -17.446 276 HE2 TYR 16 HE1 TYR 16 5.030 13.470 -17.321 277 HH TYR 16 HH TYR 16 5.767 15.568 -16.807 278 H LEU 17 H LEU 17 -1.433 10.538 -18.726 279 HA LEU 17 HA LEU 17 -3.554 11.812 -20.205 280 HB2 LEU 17 1HB LEU 17 -3.096 8.891 -19.543 281 HB3 LEU 17 2HB LEU 17 -4.239 9.514 -20.722 282 HG LEU 17 HG LEU 17 -1.226 9.864 -20.912 283 HD11 LEU 17 1HD1 LEU 17 -1.316 8.086 -22.608 284 HD12 LEU 17 2HD1 LEU 17 -3.056 7.867 -22.302 285 HD13 LEU 17 3HD1 LEU 17 -1.867 7.492 -21.028 286 HD21 LEU 17 3HD2 LEU 17 -2.445 11.579 -22.166 287 HD22 LEU 17 1HD2 LEU 17 -3.458 10.335 -22.935 288 HD23 LEU 17 2HD2 LEU 17 -1.715 10.416 -23.287 289 H VAL 18 H VAL 18 -3.530 9.810 -17.230 290 HA VAL 18 HA VAL 18 -6.430 9.660 -17.179 291 HB VAL 18 HB VAL 18 -4.356 9.023 -15.025 292 HG11 VAL 18 1HG1 VAL 18 -7.335 8.405 -15.170 293 HG12 VAL 18 2HG1 VAL 18 -6.205 7.650 -14.027 294 HG13 VAL 18 3HG1 VAL 18 -6.493 9.390 -13.952 295 HG21 VAL 18 3HG2 VAL 18 -4.089 7.622 -16.990 296 HG22 VAL 18 1HG2 VAL 18 -4.845 6.670 -15.707 297 HG23 VAL 18 2HG2 VAL 18 -5.833 7.290 -17.046 298 H CYS 19 H CYS 19 -3.999 11.620 -15.432 299 HA CYS 19 HA CYS 19 -6.097 12.928 -13.876 300 HB2 CYS 19 1HB CYS 19 -3.174 13.624 -14.268 301 HB3 CYS 19 2HB CYS 19 -4.263 14.349 -13.071 302 H GLY 20 H GLY 20 -4.517 13.358 -16.989 303 HA2 GLY 20 1HA GLY 20 -4.995 14.847 -18.666 304 HA3 GLY 20 2HA GLY 20 -6.504 15.209 -17.812 305 H GLU 21 H GLU 21 -6.572 17.353 -18.075 306 HA GLU 21 HA GLU 21 -4.336 19.114 -17.840 307 HB2 GLU 21 1HB GLU 21 -7.326 19.598 -17.675 308 HB3 GLU 21 2HB GLU 21 -6.115 20.882 -17.773 309 HG2 GLU 21 1HG GLU 21 -5.361 20.021 -19.960 310 HG3 GLU 21 2HG GLU 21 -6.572 18.732 -19.875 311 HE2 GLU 21 HE2 GLU 21 -6.283 20.592 -21.743 312 H ARG 22 H ARG 22 -6.029 17.515 -15.333 313 HA ARG 22 HA ARG 22 -5.966 19.633 -13.346 314 HB2 ARG 22 1HB ARG 22 -5.980 16.603 -13.073 315 HB3 ARG 22 2HB ARG 22 -6.159 17.727 -11.726 316 HG2 ARG 22 1HG ARG 22 -8.233 18.586 -12.631 317 HG3 ARG 22 2HG ARG 22 -8.067 17.580 -14.085 318 HD2 ARG 22 1HD ARG 22 -8.192 16.422 -11.280 319 HD3 ARG 22 2HD ARG 22 -9.631 16.699 -12.282 320 HE ARG 22 HE ARG 22 -7.757 15.216 -13.818 321 HH11 ARG 22 1HH1 ARG 22 -9.813 14.718 -10.978 322 HH12 ARG 22 2HH1 ARG 22 -10.019 13.015 -11.322 323 HH21 ARG 22 1HH2 ARG 22 -8.091 13.019 -14.171 324 HH22 ARG 22 2HH2 ARG 22 -9.077 12.098 -13.057 325 H GLY 23 H GLY 23 -3.611 17.403 -14.656 326 HA2 GLY 23 1HA GLY 23 -1.321 17.306 -14.224 327 HA3 GLY 23 2HA GLY 23 -1.506 18.584 -13.000 328 H PHE 24 H PHE 24 0.120 16.755 -12.129 329 HA PHE 24 HA PHE 24 -1.285 15.394 -9.981 330 HB2 PHE 24 1HB PHE 24 -0.563 13.138 -10.527 331 HB3 PHE 24 2HB PHE 24 -1.577 13.754 -11.830 332 HD1 PHE 24 HD1 PHE 24 -0.564 14.500 -13.978 333 HD2 PHE 24 HD2 PHE 24 1.708 12.521 -10.924 334 HE1 PHE 24 HE1 PHE 24 1.208 13.993 -15.626 335 HE2 PHE 24 HE2 PHE 24 3.472 11.973 -12.577 336 HZ PHE 24 HZ PHE 24 3.229 12.728 -14.949 337 H PHE 25 H PHE 25 0.581 14.034 -8.801 338 HA PHE 25 HA PHE 25 3.196 15.384 -9.252 339 HB2 PHE 25 1HB PHE 25 3.540 15.742 -6.928 340 HB3 PHE 25 2HB PHE 25 1.939 16.405 -7.277 341 HD1 PHE 25 HD1 PHE 25 -0.121 15.040 -6.618 342 HD2 PHE 25 HD2 PHE 25 3.859 13.992 -5.353 343 HE1 PHE 25 HE1 PHE 25 -1.075 13.581 -4.844 344 HE2 PHE 25 HE2 PHE 25 2.912 12.540 -3.566 345 HZ PHE 25 HZ PHE 25 0.439 12.332 -3.309 346 H TYR 26 H TYR 26 4.958 14.089 -8.182 347 HA TYR 26 HA TYR 26 4.239 11.239 -7.769 348 HB2 TYR 26 1HB TYR 26 5.006 11.489 -10.141 349 HB3 TYR 26 2HB TYR 26 6.517 12.203 -9.551 350 HD1 TYR 26 HD1 TYR 26 4.433 9.090 -9.509 351 HD2 TYR 26 HD2 TYR 26 8.312 10.799 -8.743 352 HE1 TYR 26 HE1 TYR 26 5.390 6.807 -9.205 353 HE2 TYR 26 HE2 TYR 26 9.255 8.510 -8.444 354 HH TYR 26 HH TYR 26 8.826 6.267 -8.413 355 H THR 27 H THR 27 5.628 10.288 -6.238 356 HA THR 27 HA THR 27 7.378 12.246 -4.831 357 HB THR 27 HB THR 27 5.665 11.940 -3.331 358 HG1 THR 27 HG1 THR 27 6.578 10.773 -1.701 359 HG21 THR 27 1HG2 THR 27 5.576 9.068 -4.272 360 HG22 THR 27 2HG2 THR 27 4.319 10.321 -4.429 361 HG23 THR 27 3HG2 THR 27 4.709 9.649 -2.832 362 HA PRO 28 HA PRO 28 10.231 8.898 -6.023 363 HB2 PRO 28 1HB PRO 28 12.403 10.448 -6.510 364 HB3 PRO 28 2HB PRO 28 11.035 10.381 -7.668 365 HG2 PRO 28 1HG PRO 28 11.656 12.439 -5.571 366 HG3 PRO 28 2HG PRO 28 11.184 12.675 -7.282 367 HD2 PRO 28 1HD PRO 28 9.428 12.817 -5.153 368 HD3 PRO 28 2HD PRO 28 8.920 12.337 -6.808 369 H LYS 29 H LYS 29 12.428 8.283 -4.987 370 HA LYS 29 HA LYS 29 12.984 9.641 -2.441 371 HB2 LYS 29 1HB LYS 29 12.909 7.627 -1.159 372 HB3 LYS 29 2HB LYS 29 11.329 7.794 -1.917 373 HG2 LYS 29 1HG LYS 29 11.854 6.043 -3.520 374 HG3 LYS 29 2HG LYS 29 13.552 6.042 -3.028 375 HD2 LYS 29 1HD LYS 29 12.758 5.383 -0.697 376 HD3 LYS 29 2HD LYS 29 11.183 5.050 -1.447 377 HE2 LYS 29 1HE LYS 29 12.463 2.983 -1.368 378 HE3 LYS 29 2HE LYS 29 12.349 3.506 -3.061 379 HZ1 LYS 29 3HZ LYS 29 14.610 2.829 -2.518 380 HZ2 LYS 29 1HZ LYS 29 14.702 3.914 -1.279 381 HZ3 LYS 29 2HZ LYS 29 14.600 4.451 -2.830 382 H THR 30 H THR 30 15.080 8.854 -1.602 383 HA THR 30 HA THR 30 16.748 7.548 -3.719 384 HB THR 30 HB THR 30 18.730 8.619 -2.609 385 HG1 THR 30 HG1 THR 30 18.037 10.473 -1.204 386 HG21 THR 30 1HG2 THR 30 17.537 9.744 -4.572 387 HG22 THR 30 2HG2 THR 30 18.313 10.905 -3.481 388 HG23 THR 30 3HG2 THR 30 16.557 10.660 -3.417 389 HXT THR 30 H02 THR 30 17.413 8.008 -0.535 Start of MODEL 17 1 H1 GLY 1 3H0 GLY 1 2.643 -1.704 -1.924 2 H2 GLY 1 2H0 GLY 1 2.048 -1.636 -0.386 3 H3 GLY 1 1H0 GLY 1 1.037 -1.964 -1.651 4 HA2 GLY 1 1HA GLY 1 0.774 0.304 -0.865 5 HA3 GLY 1 2HA GLY 1 2.486 0.570 -1.261 6 H ILE 2 H ILE 2 0.462 2.158 -2.450 7 HA ILE 2 HA ILE 2 -0.722 1.032 -4.714 8 HB ILE 2 HB ILE 2 -1.331 3.195 -3.604 9 HG12 ILE 2 1HG1 ILE 2 -0.983 3.309 -6.616 10 HG13 ILE 2 2HG1 ILE 2 -2.233 2.396 -5.773 11 HG21 ILE 2 1HG2 ILE 2 -0.229 5.283 -4.190 12 HG22 ILE 2 2HG2 ILE 2 1.007 4.186 -3.555 13 HG23 ILE 2 3HG2 ILE 2 0.877 4.459 -5.308 14 HD11 ILE 2 3HD1 ILE 2 -1.902 5.415 -5.850 15 HD12 ILE 2 1HD1 ILE 2 -3.195 4.433 -6.563 16 HD13 ILE 2 2HD1 ILE 2 -3.063 4.561 -4.797 17 H VAL 3 H VAL 3 2.529 2.516 -4.536 18 HA VAL 3 HA VAL 3 2.870 2.416 -7.383 19 HB VAL 3 HB VAL 3 4.196 3.947 -6.040 20 HG11 VAL 3 1HG1 VAL 3 4.425 2.548 -3.988 21 HG12 VAL 3 2HG1 VAL 3 5.609 1.528 -4.846 22 HG13 VAL 3 3HG1 VAL 3 5.967 3.236 -4.535 23 HG21 VAL 3 3HG2 VAL 3 5.984 1.847 -7.351 24 HG22 VAL 3 1HG2 VAL 3 5.094 3.126 -8.209 25 HG23 VAL 3 2HG2 VAL 3 6.382 3.559 -7.063 26 H GLU 4 H GLU 4 3.604 0.065 -4.762 27 HA GLU 4 HA GLU 4 4.987 -1.754 -6.519 28 HB2 GLU 4 1HB GLU 4 3.419 -2.243 -3.956 29 HB3 GLU 4 2HB GLU 4 4.265 -3.508 -4.844 30 HG2 GLU 4 1HG GLU 4 5.762 -2.924 -3.178 31 HG3 GLU 4 2HG GLU 4 6.366 -2.086 -4.613 32 HE2 GLU 4 HE2 GLU 4 7.374 -0.787 -3.322 33 H GLN 5 H GLN 5 1.577 -1.409 -5.485 34 HA GLN 5 HA GLN 5 0.578 -3.667 -6.872 35 HB2 GLN 5 1HB GLN 5 -0.479 -1.203 -5.643 36 HB3 GLN 5 2HB GLN 5 -1.466 -1.806 -6.977 37 HG2 GLN 5 1HG GLN 5 -2.246 -2.692 -4.821 38 HG3 GLN 5 2HG GLN 5 -1.685 -3.983 -5.892 39 HE21 GLN 5 2HE2 GLN 5 -0.534 -5.502 -4.939 40 HE22 GLN 5 1HE2 GLN 5 0.466 -5.297 -3.524 41 H CYS 6 H CYS 6 1.111 -0.299 -7.994 42 HA CYS 6 HA CYS 6 -0.010 -0.820 -10.606 43 HB2 CYS 6 1HB CYS 6 1.627 1.373 -9.355 44 HB3 CYS 6 2HB CYS 6 1.394 1.329 -11.112 45 H CYS 7 H CYS 7 3.284 -1.052 -9.285 46 HA CYS 7 HA CYS 7 4.505 -1.332 -11.889 47 HB2 CYS 7 1HB CYS 7 5.454 -1.961 -9.082 48 HB3 CYS 7 2HB CYS 7 6.454 -2.202 -10.520 49 H THR 8 H THR 8 3.615 -3.668 -9.290 50 HA THR 8 HA THR 8 4.545 -5.876 -10.986 51 HB THR 8 HB THR 8 4.962 -5.732 -8.473 52 HG1 THR 8 HG1 THR 8 3.802 -7.990 -9.748 53 HG21 THR 8 1HG2 THR 8 2.371 -5.274 -8.068 54 HG22 THR 8 2HG2 THR 8 3.326 -6.226 -6.917 55 HG23 THR 8 3HG2 THR 8 2.282 -7.047 -8.104 56 H SER 9 H SER 9 1.516 -4.304 -10.455 57 HA SER 9 HA SER 9 0.251 -6.494 -11.997 58 HB2 SER 9 1HB SER 9 -0.254 -6.760 -9.487 59 HB3 SER 9 2HB SER 9 -1.145 -5.227 -9.592 60 HG SER 9 HG SER 9 -2.398 -7.220 -9.912 61 H ILE 10 H ILE 10 -2.262 -5.497 -12.311 62 HA ILE 10 HA ILE 10 -1.487 -3.527 -14.295 63 HB ILE 10 HB ILE 10 -4.218 -4.666 -13.597 64 HG12 ILE 10 1HG1 ILE 10 -2.535 -6.348 -14.350 65 HG13 ILE 10 2HG1 ILE 10 -3.918 -6.188 -15.429 66 HG21 ILE 10 1HG2 ILE 10 -4.538 -2.549 -14.740 67 HG22 ILE 10 2HG2 ILE 10 -3.343 -2.977 -15.980 68 HG23 ILE 10 3HG2 ILE 10 -4.888 -3.857 -15.874 69 HD11 ILE 10 3HD1 ILE 10 -1.209 -4.911 -15.931 70 HD12 ILE 10 1HD1 ILE 10 -1.757 -6.450 -16.621 71 HD13 ILE 10 2HD1 ILE 10 -2.588 -4.947 -17.038 72 H CYS 11 H CYS 11 -1.353 -1.454 -14.071 73 HA CYS 11 HA CYS 11 -2.677 -0.126 -11.788 74 HB2 CYS 11 1HB CYS 11 -0.237 0.221 -12.526 75 HB3 CYS 11 2HB CYS 11 -0.890 1.098 -13.889 76 H SER 12 H SER 12 -4.792 -0.639 -12.764 77 HA SER 12 HA SER 12 -5.629 0.434 -15.275 78 HB2 SER 12 1HB SER 12 -7.288 -0.048 -12.775 79 HB3 SER 12 2HB SER 12 -7.884 0.028 -14.448 80 HG SER 12 HG SER 12 -7.603 -2.124 -13.850 81 H LEU 13 H LEU 13 -7.261 2.225 -15.519 82 HA LEU 13 HA LEU 13 -6.240 4.679 -14.674 83 HB2 LEU 13 1HB LEU 13 -8.220 5.682 -15.536 84 HB3 LEU 13 2HB LEU 13 -7.781 4.326 -16.560 85 HG LEU 13 HG LEU 13 -9.597 3.125 -14.898 86 HD11 LEU 13 1HD1 LEU 13 -10.173 5.233 -13.763 87 HD12 LEU 13 2HD1 LEU 13 -11.539 4.652 -14.731 88 HD13 LEU 13 3HD1 LEU 13 -10.538 5.995 -15.329 89 HD21 LEU 13 3HD2 LEU 13 -9.531 2.972 -17.333 90 HD22 LEU 13 1HD2 LEU 13 -10.159 4.635 -17.474 91 HD23 LEU 13 2HD2 LEU 13 -11.172 3.349 -16.774 92 H TYR 14 H TYR 14 -8.527 2.613 -12.958 93 HA TYR 14 HA TYR 14 -9.482 4.555 -11.113 94 HB2 TYR 14 1HB TYR 14 -9.048 1.621 -10.524 95 HB3 TYR 14 2HB TYR 14 -10.306 2.686 -9.892 96 HD1 TYR 14 HD2 TYR 14 -12.002 3.654 -11.695 97 HD2 TYR 14 HD1 TYR 14 -9.458 0.249 -12.376 98 HE1 TYR 14 HE2 TYR 14 -13.463 2.930 -13.587 99 HE2 TYR 14 HE1 TYR 14 -10.913 -0.451 -14.282 100 HH TYR 14 HH TYR 14 -13.841 1.351 -15.211 101 H GLN 15 H GLN 15 -6.634 2.411 -11.068 102 HA GLN 15 HA GLN 15 -5.813 3.107 -8.373 103 HB2 GLN 15 1HB GLN 15 -4.282 1.994 -10.760 104 HB3 GLN 15 2HB GLN 15 -3.591 2.192 -9.151 105 HG2 GLN 15 1HG GLN 15 -6.017 0.460 -9.737 106 HG3 GLN 15 2HG GLN 15 -4.352 -0.138 -9.713 107 HE21 GLN 15 2HE2 GLN 15 -7.044 -0.064 -7.908 108 HE22 GLN 15 1HE2 GLN 15 -6.345 -0.042 -6.310 109 H LEU 16 H LEU 16 -5.086 4.229 -11.668 110 HA LEU 16 HA LEU 16 -3.034 6.062 -10.966 111 HB2 LEU 16 1HB LEU 16 -4.943 5.933 -13.300 112 HB3 LEU 16 2HB LEU 16 -3.655 7.131 -13.190 113 HG LEU 16 HG LEU 16 -3.103 4.155 -13.011 114 HD11 LEU 16 1HD1 LEU 16 -2.502 4.164 -15.362 115 HD12 LEU 16 2HD1 LEU 16 -3.016 5.863 -15.515 116 HD13 LEU 16 3HD1 LEU 16 -4.207 4.588 -15.159 117 HD21 LEU 16 3HD2 LEU 16 -0.841 4.832 -13.713 118 HD22 LEU 16 1HD2 LEU 16 -1.310 5.655 -12.216 119 HD23 LEU 16 2HD2 LEU 16 -1.353 6.532 -13.762 120 H GLU 17 H GLU 17 -6.586 6.491 -11.061 121 HA GLU 17 HA GLU 17 -6.623 9.312 -10.778 122 HB2 GLU 17 1HB GLU 17 -8.496 7.119 -9.864 123 HB3 GLU 17 2HB GLU 17 -8.822 8.819 -9.513 124 HG2 GLU 17 1HG GLU 17 -8.778 9.340 -11.909 125 HG3 GLU 17 2HG GLU 17 -8.483 7.642 -12.280 126 HE2 GLU 17 HE2 GLU 17 -11.687 6.696 -11.497 127 H ASN 18 H ASN 18 -5.938 6.841 -8.317 128 HA ASN 18 HA ASN 18 -6.404 8.563 -6.057 129 HB2 ASN 18 1HB ASN 18 -4.693 6.094 -6.395 130 HB3 ASN 18 2HB ASN 18 -4.912 6.924 -4.851 131 HD21 ASN 18 2HD2 ASN 18 -6.178 4.664 -7.041 132 HD22 ASN 18 1HD2 ASN 18 -7.691 4.380 -6.215 133 H TYR 19 H TYR 19 -3.709 8.280 -8.289 134 HA TYR 19 HA TYR 19 -1.732 9.509 -6.529 135 HB2 TYR 19 1HB TYR 19 -1.918 9.135 -9.514 136 HB3 TYR 19 2HB TYR 19 -0.537 9.881 -8.740 137 HD1 TYR 19 HD1 TYR 19 -2.377 6.692 -9.169 138 HD2 TYR 19 HD2 TYR 19 1.135 8.578 -7.583 139 HE1 TYR 19 HE1 TYR 19 -1.308 4.462 -8.901 140 HE2 TYR 19 HE2 TYR 19 2.199 6.343 -7.307 141 HH TYR 19 HH TYR 19 0.541 3.316 -8.236 142 H CYS 20 H CYS 20 -4.378 10.647 -8.505 143 HA CYS 20 HA CYS 20 -3.277 13.295 -9.024 144 HB2 CYS 20 1HB CYS 20 -6.030 12.058 -9.293 145 HB3 CYS 20 2HB CYS 20 -5.733 13.769 -9.590 146 H ASN 21 H ASN 21 -2.778 14.425 -7.269 147 HA ASN 21 HA ASN 21 -4.893 14.864 -5.196 148 HB2 ASN 21 1HB ASN 21 -2.927 13.825 -4.201 149 HB3 ASN 21 2HB ASN 21 -1.854 14.990 -4.979 150 HD21 ASN 21 2HD2 ASN 21 -4.388 14.582 -2.548 151 HD22 ASN 21 1HD2 ASN 21 -4.003 16.039 -1.670 152 HXT ASN 21 H02 ASN 21 -3.254 18.051 -6.692 153 H1 PHE 1 3H0 PHE 1 -9.553 3.347 -21.952 154 H2 PHE 1 2H0 PHE 1 -9.006 2.421 -23.204 155 H3 PHE 1 1H0 PHE 1 -9.841 1.722 -21.966 156 HA PHE 1 HA PHE 1 -7.177 2.972 -21.767 157 HB2 PHE 1 1HB PHE 1 -8.754 3.183 -19.766 158 HB3 PHE 1 2HB PHE 1 -8.718 1.419 -19.653 159 HD1 PHE 1 HD1 PHE 1 -6.708 4.529 -19.328 160 HD2 PHE 1 HD2 PHE 1 -6.781 0.259 -18.740 161 HE1 PHE 1 HE1 PHE 1 -4.628 4.684 -17.968 162 HE2 PHE 1 HE2 PHE 1 -4.686 0.408 -17.399 163 HZ PHE 1 HZ PHE 1 -3.605 2.621 -17.012 164 H VAL 2 H VAL 2 -5.415 1.459 -21.663 165 HA VAL 2 HA VAL 2 -6.190 -1.323 -22.465 166 HB VAL 2 HB VAL 2 -3.626 0.222 -23.113 167 HG11 VAL 2 1HG1 VAL 2 -3.100 -1.736 -24.563 168 HG12 VAL 2 2HG1 VAL 2 -3.196 -2.192 -22.851 169 HG13 VAL 2 3HG1 VAL 2 -4.545 -2.571 -23.952 170 HG21 VAL 2 3HG2 VAL 2 -4.433 0.079 -25.482 171 HG22 VAL 2 1HG2 VAL 2 -5.976 -0.580 -24.893 172 HG23 VAL 2 2HG2 VAL 2 -5.482 1.074 -24.459 173 H ASN 3 H ASN 3 -5.714 -2.824 -20.955 174 HA ASN 3 HA ASN 3 -4.500 -2.064 -18.469 175 HB2 ASN 3 1HB ASN 3 -5.033 -4.789 -19.701 176 HB3 ASN 3 2HB ASN 3 -4.349 -4.552 -18.089 177 HD21 ASN 3 2HD2 ASN 3 -6.875 -5.827 -18.836 178 HD22 ASN 3 1HD2 ASN 3 -8.129 -4.917 -18.029 179 H GLN 4 H GLN 4 -2.459 -1.975 -17.862 180 HA GLN 4 HA GLN 4 -0.522 -3.871 -18.858 181 HB2 GLN 4 1HB GLN 4 1.067 -2.184 -19.701 182 HB3 GLN 4 2HB GLN 4 -0.411 -2.183 -20.662 183 HG2 GLN 4 1HG GLN 4 -1.181 -0.226 -19.180 184 HG3 GLN 4 2HG GLN 4 0.505 -0.138 -18.656 185 HE21 GLN 4 2HE2 GLN 4 -1.743 0.276 -21.289 186 HE22 GLN 4 1HE2 GLN 4 -0.646 1.153 -22.339 187 H HIS 5 H HIS 5 1.292 -3.784 -17.484 188 HA HIS 5 HA HIS 5 0.874 -2.609 -14.819 189 HB2 HIS 5 1HB HIS 5 3.411 -3.820 -16.006 190 HB3 HIS 5 2HB HIS 5 3.059 -3.550 -14.298 191 HD1 HIS 5 HD1 HIS 5 0.419 -4.822 -13.827 192 HD2 HIS 5 HD2 HIS 5 3.217 -6.518 -16.355 193 HE1 HIS 5 HE1 HIS 5 -0.140 -7.319 -13.995 194 HE2 HIS 5 HE2 HIS 5 1.587 -8.321 -15.537 195 H LEU 6 H LEU 6 1.884 -0.671 -14.049 196 HA LEU 6 HA LEU 6 3.558 0.805 -16.047 197 HB2 LEU 6 1HB LEU 6 1.298 1.755 -14.279 198 HB3 LEU 6 2HB LEU 6 2.556 2.827 -14.804 199 HG LEU 6 HG LEU 6 0.904 3.368 -16.179 200 HD11 LEU 6 1HD1 LEU 6 2.873 2.880 -17.533 201 HD12 LEU 6 2HD1 LEU 6 1.384 2.646 -18.454 202 HD13 LEU 6 3HD1 LEU 6 2.271 1.235 -17.836 203 HD21 LEU 6 3HD2 LEU 6 -0.560 1.781 -17.439 204 HD22 LEU 6 1HD2 LEU 6 -0.800 1.866 -15.695 205 HD23 LEU 6 2HD2 LEU 6 0.096 0.502 -16.398 206 H CYS 7 H CYS 7 5.522 1.286 -15.276 207 HA CYS 7 HA CYS 7 5.801 1.930 -12.398 208 HB2 CYS 7 1HB CYS 7 6.283 -0.588 -13.017 209 HB3 CYS 7 2HB CYS 7 7.776 0.058 -13.705 210 H GLY 8 H GLY 8 7.875 3.047 -11.962 211 HA2 GLY 8 1HA GLY 8 9.515 4.583 -12.499 212 HA3 GLY 8 2HA GLY 8 9.729 3.679 -14.006 213 H SER 9 H SER 9 10.028 5.418 -15.370 214 HA SER 9 HA SER 9 8.467 7.769 -15.416 215 HB2 SER 9 1HB SER 9 9.453 6.713 -18.007 216 HB3 SER 9 2HB SER 9 9.778 8.273 -17.205 217 HG SER 9 HG SER 9 11.661 7.096 -17.124 218 H HIS 10 H HIS 10 7.757 4.548 -16.708 219 HA HIS 10 HA HIS 10 5.736 5.419 -18.562 220 HB2 HIS 10 1HB HIS 10 6.672 2.863 -17.423 221 HB3 HIS 10 2HB HIS 10 4.958 2.895 -17.831 222 HD1 HIS 10 HD1 HIS 10 4.325 3.409 -20.391 223 HD2 HIS 10 HD2 HIS 10 8.390 2.735 -19.618 224 HE1 HIS 10 HE1 HIS 10 5.444 2.981 -22.637 225 HE2 HIS 10 HE2 HIS 10 7.892 2.576 -22.153 226 H LEU 11 H LEU 11 5.717 4.868 -15.067 227 HA LEU 11 HA LEU 11 2.836 4.827 -14.802 228 HB2 LEU 11 1HB LEU 11 4.448 4.046 -13.057 229 HB3 LEU 11 2HB LEU 11 4.987 5.705 -12.844 230 HG LEU 11 HG LEU 11 2.746 6.332 -12.004 231 HD11 LEU 11 1HD1 LEU 11 2.187 3.345 -12.190 232 HD12 LEU 11 2HD1 LEU 11 1.369 4.634 -13.107 233 HD13 LEU 11 3HD1 LEU 11 1.171 4.541 -11.350 234 HD21 LEU 11 3HD2 LEU 11 4.580 5.664 -10.485 235 HD22 LEU 11 1HD2 LEU 11 4.042 3.969 -10.582 236 HD23 LEU 11 2HD2 LEU 11 2.994 5.199 -9.838 237 H VAL 12 H VAL 12 5.341 7.343 -14.735 238 HA VAL 12 HA VAL 12 3.617 9.529 -14.109 239 HB VAL 12 HB VAL 12 6.237 9.496 -15.687 240 HG11 VAL 12 1HG1 VAL 12 4.903 11.765 -14.180 241 HG12 VAL 12 2HG1 VAL 12 6.477 11.828 -15.002 242 HG13 VAL 12 3HG1 VAL 12 4.993 11.606 -15.948 243 HG21 VAL 12 3HG2 VAL 12 7.269 10.078 -13.476 244 HG22 VAL 12 1HG2 VAL 12 5.696 9.789 -12.700 245 HG23 VAL 12 2HG2 VAL 12 6.559 8.454 -13.503 246 H GLU 13 H GLU 13 4.626 8.055 -17.207 247 HA GLU 13 HA GLU 13 3.411 9.988 -18.923 248 HB2 GLU 13 1HB GLU 13 4.022 7.043 -19.238 249 HB3 GLU 13 2HB GLU 13 3.331 8.009 -20.544 250 HG2 GLU 13 1HG GLU 13 5.279 9.468 -20.555 251 HG3 GLU 13 2HG GLU 13 5.973 8.599 -19.182 252 HE2 GLU 13 HE2 GLU 13 6.436 9.034 -22.050 253 H ALA 14 H ALA 14 2.099 7.167 -17.215 254 HA ALA 14 HA ALA 14 -0.403 7.194 -18.675 255 HB1 ALA 14 3HB ALA 14 -1.104 5.563 -17.006 256 HB2 ALA 14 1HB ALA 14 0.538 5.184 -17.571 257 HB3 ALA 14 2HB ALA 14 0.303 5.958 -15.987 258 H LEU 15 H LEU 15 0.843 8.643 -15.675 259 HA LEU 15 HA LEU 15 -1.702 9.508 -14.694 260 HB2 LEU 15 1HB LEU 15 1.123 10.475 -14.224 261 HB3 LEU 15 2HB LEU 15 -0.270 11.212 -13.439 262 HG LEU 15 HG LEU 15 0.488 8.290 -13.160 263 HD11 LEU 15 1HD1 LEU 15 0.903 10.590 -11.223 264 HD12 LEU 15 2HD1 LEU 15 2.181 9.764 -12.145 265 HD13 LEU 15 3HD1 LEU 15 1.259 8.873 -10.916 266 HD21 LEU 15 3HD2 LEU 15 -1.907 8.740 -12.843 267 HD22 LEU 15 1HD2 LEU 15 -1.509 9.996 -11.653 268 HD23 LEU 15 2HD2 LEU 15 -1.116 8.290 -11.337 269 H TYR 16 H TYR 16 0.506 10.935 -17.086 270 HA TYR 16 HA TYR 16 -0.723 13.522 -17.157 271 HB2 TYR 16 1HB TYR 16 0.716 11.849 -19.230 272 HB3 TYR 16 2HB TYR 16 -0.053 13.375 -19.666 273 HD1 TYR 16 HD1 TYR 16 0.634 15.516 -18.411 274 HD2 TYR 16 HD2 TYR 16 2.912 11.874 -18.264 275 HE1 TYR 16 HE1 TYR 16 2.638 16.793 -17.648 276 HE2 TYR 16 HE2 TYR 16 4.920 13.164 -17.535 277 HH TYR 16 HH TYR 16 4.840 16.686 -17.025 278 H LEU 17 H LEU 17 -1.651 10.412 -18.629 279 HA LEU 17 HA LEU 17 -3.746 11.580 -20.240 280 HB2 LEU 17 1HB LEU 17 -3.440 8.749 -19.199 281 HB3 LEU 17 2HB LEU 17 -4.540 9.279 -20.460 282 HG LEU 17 HG LEU 17 -1.510 9.391 -20.663 283 HD11 LEU 17 1HD1 LEU 17 -1.722 7.402 -22.095 284 HD12 LEU 17 2HD1 LEU 17 -3.477 7.361 -21.799 285 HD13 LEU 17 3HD1 LEU 17 -2.337 7.075 -20.461 286 HD21 LEU 17 3HD2 LEU 17 -3.696 9.742 -22.759 287 HD22 LEU 17 1HD2 LEU 17 -1.950 9.653 -23.095 288 HD23 LEU 17 2HD2 LEU 17 -2.600 11.004 -22.148 289 H VAL 18 H VAL 18 -3.676 10.005 -17.036 290 HA VAL 18 HA VAL 18 -6.581 10.001 -16.875 291 HB VAL 18 HB VAL 18 -4.482 9.386 -14.742 292 HG11 VAL 18 1HG1 VAL 18 -6.339 8.094 -13.669 293 HG12 VAL 18 2HG1 VAL 18 -6.652 9.839 -13.702 294 HG13 VAL 18 3HG1 VAL 18 -7.471 8.769 -14.866 295 HG21 VAL 18 3HG2 VAL 18 -5.139 6.990 -15.374 296 HG22 VAL 18 1HG2 VAL 18 -5.918 7.676 -16.812 297 HG23 VAL 18 2HG2 VAL 18 -4.166 7.866 -16.563 298 H CYS 19 H CYS 19 -3.967 11.975 -15.427 299 HA CYS 19 HA CYS 19 -5.957 13.552 -13.949 300 HB2 CYS 19 1HB CYS 19 -3.116 13.221 -13.874 301 HB3 CYS 19 2HB CYS 19 -3.465 14.927 -14.189 302 H GLY 20 H GLY 20 -4.515 13.491 -17.139 303 HA2 GLY 20 1HA GLY 20 -4.984 14.823 -18.956 304 HA3 GLY 20 2HA GLY 20 -6.283 15.577 -18.015 305 H GLU 21 H GLU 21 -5.647 17.544 -19.084 306 HA GLU 21 HA GLU 21 -3.083 18.732 -18.747 307 HB2 GLU 21 1HB GLU 21 -5.255 19.251 -20.257 308 HB3 GLU 21 2HB GLU 21 -5.483 20.480 -19.009 309 HG2 GLU 21 1HG GLU 21 -4.254 21.486 -20.803 310 HG3 GLU 21 2HG GLU 21 -3.123 21.259 -19.463 311 HE2 GLU 21 HE2 GLU 21 -1.014 19.686 -21.505 312 H ARG 22 H ARG 22 -5.376 18.166 -16.334 313 HA ARG 22 HA ARG 22 -5.175 20.608 -14.802 314 HB2 ARG 22 1HB ARG 22 -5.681 17.742 -13.918 315 HB3 ARG 22 2HB ARG 22 -5.892 19.167 -12.900 316 HG2 ARG 22 1HG ARG 22 -7.677 19.995 -14.337 317 HG3 ARG 22 2HG ARG 22 -7.446 18.643 -15.462 318 HD2 ARG 22 1HD ARG 22 -8.195 18.302 -12.535 319 HD3 ARG 22 2HD ARG 22 -9.372 18.363 -13.864 320 HE ARG 22 HE ARG 22 -7.411 16.403 -14.501 321 HH11 ARG 22 1HH1 ARG 22 -10.021 16.834 -12.150 322 HH12 ARG 22 2HH1 ARG 22 -10.301 15.119 -12.017 323 HH21 ARG 22 1HH2 ARG 22 -7.852 14.242 -14.298 324 HH22 ARG 22 2HH2 ARG 22 -9.085 13.679 -13.206 325 H GLY 23 H GLY 23 -3.083 17.855 -15.305 326 HA2 GLY 23 1HA GLY 23 -0.824 17.724 -14.731 327 HA3 GLY 23 2HA GLY 23 -0.992 19.178 -13.734 328 H PHE 24 H PHE 24 0.506 17.255 -12.704 329 HA PHE 24 HA PHE 24 -0.890 16.406 -10.300 330 HB2 PHE 24 1HB PHE 24 -0.463 14.015 -10.565 331 HB3 PHE 24 2HB PHE 24 -1.518 14.561 -11.869 332 HD1 PHE 24 HD1 PHE 24 -0.627 14.862 -14.172 333 HD2 PHE 24 HD2 PHE 24 1.734 13.151 -11.020 334 HE1 PHE 24 HE1 PHE 24 0.977 13.998 -15.848 335 HE2 PHE 24 HE2 PHE 24 3.344 12.269 -12.694 336 HZ PHE 24 HZ PHE 24 2.966 12.706 -15.129 337 H PHE 25 H PHE 25 0.941 15.047 -9.052 338 HA PHE 25 HA PHE 25 3.643 15.784 -10.024 339 HB2 PHE 25 1HB PHE 25 4.333 16.446 -7.756 340 HB3 PHE 25 2HB PHE 25 3.076 17.522 -8.379 341 HD1 PHE 25 HD2 PHE 25 3.840 14.855 -5.928 342 HD2 PHE 25 HD1 PHE 25 0.867 17.615 -7.363 343 HE1 PHE 25 HE2 PHE 25 2.480 14.446 -3.880 344 HE2 PHE 25 HE1 PHE 25 -0.498 17.218 -5.317 345 HZ PHE 25 HZ PHE 25 0.305 15.632 -3.572 346 H TYR 26 H TYR 26 5.287 14.405 -8.866 347 HA TYR 26 HA TYR 26 4.141 11.916 -7.713 348 HB2 TYR 26 1HB TYR 26 4.425 11.522 -10.158 349 HB3 TYR 26 2HB TYR 26 6.127 11.994 -10.021 350 HD1 TYR 26 HD1 TYR 26 3.597 9.462 -8.955 351 HD2 TYR 26 HD2 TYR 26 7.779 10.451 -9.160 352 HE1 TYR 26 HE1 TYR 26 4.183 7.134 -8.293 353 HE2 TYR 26 HE2 TYR 26 8.359 8.111 -8.512 354 HH TYR 26 HH TYR 26 7.571 6.037 -7.976 355 H THR 27 H THR 27 5.531 11.042 -6.170 356 HA THR 27 HA THR 27 7.992 12.655 -5.662 357 HB THR 27 HB THR 27 7.541 12.170 -3.216 358 HG1 THR 27 HG1 THR 27 4.838 11.918 -3.836 359 HG21 THR 27 1HG2 THR 27 5.454 13.797 -4.723 360 HG22 THR 27 2HG2 THR 27 7.080 14.365 -4.277 361 HG23 THR 27 3HG2 THR 27 5.896 13.979 -3.009 362 HA PRO 28 HA PRO 28 9.520 8.371 -5.821 363 HB2 PRO 28 1HB PRO 28 12.065 8.950 -6.619 364 HB3 PRO 28 2HB PRO 28 10.704 8.885 -7.786 365 HG2 PRO 28 1HG PRO 28 11.929 11.273 -6.434 366 HG3 PRO 28 2HG PRO 28 11.572 11.022 -8.170 367 HD2 PRO 28 1HD PRO 28 9.909 12.406 -6.532 368 HD3 PRO 28 2HD PRO 28 9.280 11.379 -7.863 369 H LYS 29 H LYS 29 11.020 7.362 -4.302 370 HA LYS 29 HA LYS 29 12.093 9.207 -2.214 371 HB2 LYS 29 1HB LYS 29 10.338 6.764 -1.745 372 HB3 LYS 29 2HB LYS 29 11.180 7.674 -0.477 373 HG2 LYS 29 1HG LYS 29 9.892 9.694 -1.056 374 HG3 LYS 29 2HG LYS 29 9.082 8.809 -2.353 375 HD2 LYS 29 1HD LYS 29 8.089 7.274 -0.703 376 HD3 LYS 29 2HD LYS 29 8.877 8.189 0.602 377 HE2 LYS 29 1HE LYS 29 6.567 8.957 0.368 378 HE3 LYS 29 2HE LYS 29 7.675 10.245 -0.142 379 HZ1 LYS 29 3HZ LYS 29 5.900 10.061 -1.728 380 HZ2 LYS 29 1HZ LYS 29 6.146 8.444 -1.939 381 HZ3 LYS 29 2HZ LYS 29 7.272 9.526 -2.467 382 H THR 30 H THR 30 14.173 8.872 -2.223 383 HA THR 30 HA THR 30 15.271 6.143 -2.714 384 HB THR 30 HB THR 30 17.413 7.516 -3.116 385 HG1 THR 30 HG1 THR 30 16.700 9.409 -2.030 386 HG21 THR 30 1HG2 THR 30 16.727 8.267 -5.373 387 HG22 THR 30 2HG2 THR 30 15.018 8.229 -4.924 388 HG23 THR 30 3HG2 THR 30 15.944 6.715 -5.036 389 HXT THR 30 H02 THR 30 16.765 5.945 0.247 Start of MODEL 18 1 H1 GLY 1 3H0 GLY 1 0.844 -1.724 -1.714 2 H2 GLY 1 2H0 GLY 1 2.408 -1.335 -2.064 3 H3 GLY 1 1H0 GLY 1 1.868 -1.251 -0.507 4 HA2 GLY 1 1HA GLY 1 0.382 0.531 -1.039 5 HA3 GLY 1 2HA GLY 1 2.060 0.940 -1.452 6 H ILE 2 H ILE 2 0.262 2.448 -2.706 7 HA ILE 2 HA ILE 2 -1.019 1.339 -4.956 8 HB ILE 2 HB ILE 2 -1.546 3.514 -3.828 9 HG12 ILE 2 1HG1 ILE 2 -1.107 3.694 -6.822 10 HG13 ILE 2 2HG1 ILE 2 -2.456 2.881 -6.028 11 HG21 ILE 2 1HG2 ILE 2 0.829 4.377 -3.661 12 HG22 ILE 2 2HG2 ILE 2 0.788 4.705 -5.409 13 HG23 ILE 2 3HG2 ILE 2 -0.314 5.558 -4.312 14 HD11 ILE 2 3HD1 ILE 2 -3.248 5.007 -6.745 15 HD12 ILE 2 1HD1 ILE 2 -3.060 5.129 -4.986 16 HD13 ILE 2 2HD1 ILE 2 -1.850 5.866 -6.077 17 H VAL 3 H VAL 3 2.295 2.591 -4.663 18 HA VAL 3 HA VAL 3 2.755 2.721 -7.488 19 HB VAL 3 HB VAL 3 4.790 2.301 -5.246 20 HG11 VAL 3 1HG1 VAL 3 6.378 3.358 -6.859 21 HG12 VAL 3 2HG1 VAL 3 5.732 1.824 -7.476 22 HG13 VAL 3 3HG1 VAL 3 5.098 3.365 -8.095 23 HG21 VAL 3 3HG2 VAL 3 3.660 4.860 -6.472 24 HG22 VAL 3 1HG2 VAL 3 3.473 4.312 -4.788 25 HG23 VAL 3 2HG2 VAL 3 5.071 4.797 -5.390 26 H GLU 4 H GLU 4 3.271 0.184 -5.021 27 HA GLU 4 HA GLU 4 4.587 -1.624 -6.810 28 HB2 GLU 4 1HB GLU 4 3.000 -2.128 -4.267 29 HB3 GLU 4 2HB GLU 4 3.901 -3.371 -5.138 30 HG2 GLU 4 1HG GLU 4 5.341 -2.684 -3.387 31 HG3 GLU 4 2HG GLU 4 5.982 -1.920 -4.849 32 HE2 GLU 4 HE2 GLU 4 6.907 -0.448 -3.803 33 H GLN 5 H GLN 5 1.138 -1.096 -6.000 34 HA GLN 5 HA GLN 5 0.104 -3.373 -7.360 35 HB2 GLN 5 1HB GLN 5 -1.043 -0.615 -6.834 36 HB3 GLN 5 2HB GLN 5 -1.965 -1.901 -7.620 37 HG2 GLN 5 1HG GLN 5 -1.751 -3.328 -5.672 38 HG3 GLN 5 2HG GLN 5 -0.719 -2.138 -4.868 39 HE21 GLN 5 2HE2 GLN 5 -3.882 -3.229 -5.301 40 HE22 GLN 5 1HE2 GLN 5 -4.703 -1.879 -4.556 41 H CYS 6 H CYS 6 1.066 -0.155 -8.594 42 HA CYS 6 HA CYS 6 0.118 -0.827 -11.282 43 HB2 CYS 6 1HB CYS 6 1.832 1.442 -10.215 44 HB3 CYS 6 2HB CYS 6 1.307 1.288 -11.891 45 H CYS 7 H CYS 7 3.234 -0.900 -9.527 46 HA CYS 7 HA CYS 7 4.767 -1.185 -11.952 47 HB2 CYS 7 1HB CYS 7 5.411 -1.596 -9.028 48 HB3 CYS 7 2HB CYS 7 6.593 -1.876 -10.313 49 H THR 8 H THR 8 3.877 -3.551 -9.371 50 HA THR 8 HA THR 8 5.210 -5.652 -10.949 51 HB THR 8 HB THR 8 5.309 -5.343 -8.359 52 HG1 THR 8 HG1 THR 8 5.361 -7.712 -8.195 53 HG21 THR 8 1HG2 THR 8 2.837 -7.105 -8.479 54 HG22 THR 8 2HG2 THR 8 2.757 -5.368 -8.110 55 HG23 THR 8 3HG2 THR 8 3.662 -6.460 -7.044 56 H SER 9 H SER 9 2.015 -4.414 -10.511 57 HA SER 9 HA SER 9 0.979 -6.678 -12.123 58 HB2 SER 9 1HB SER 9 -1.069 -6.708 -10.596 59 HB3 SER 9 2HB SER 9 0.418 -7.297 -9.832 60 HG SER 9 HG SER 9 -0.403 -4.585 -9.601 61 H ILE 10 H ILE 10 -1.705 -5.836 -12.234 62 HA ILE 10 HA ILE 10 -1.255 -3.379 -13.859 63 HB ILE 10 HB ILE 10 -3.718 -5.188 -13.803 64 HG12 ILE 10 1HG1 ILE 10 -1.726 -6.513 -14.483 65 HG13 ILE 10 2HG1 ILE 10 -2.949 -6.360 -15.735 66 HG21 ILE 10 1HG2 ILE 10 -2.740 -3.089 -15.803 67 HG22 ILE 10 2HG2 ILE 10 -4.159 -4.142 -16.040 68 HG23 ILE 10 3HG2 ILE 10 -4.151 -2.959 -14.726 69 HD11 ILE 10 3HD1 ILE 10 -1.632 -4.816 -16.983 70 HD12 ILE 10 1HD1 ILE 10 -0.471 -4.628 -15.656 71 HD13 ILE 10 2HD1 ILE 10 -0.581 -6.169 -16.533 72 H CYS 11 H CYS 11 -2.211 -1.459 -13.253 73 HA CYS 11 HA CYS 11 -4.235 -1.602 -11.063 74 HB2 CYS 11 1HB CYS 11 -3.455 0.497 -10.205 75 HB3 CYS 11 2HB CYS 11 -2.091 -0.616 -10.284 76 H SER 12 H SER 12 -6.020 -0.255 -11.331 77 HA SER 12 HA SER 12 -6.618 0.241 -14.167 78 HB2 SER 12 1HB SER 12 -8.219 -0.907 -12.662 79 HB3 SER 12 2HB SER 12 -8.348 0.571 -11.685 80 HG SER 12 HG SER 12 -9.995 0.217 -13.373 81 H LEU 13 H LEU 13 -7.822 2.259 -14.770 82 HA LEU 13 HA LEU 13 -6.247 4.555 -14.300 83 HB2 LEU 13 1HB LEU 13 -7.882 5.769 -15.539 84 HB3 LEU 13 2HB LEU 13 -7.677 4.185 -16.267 85 HG LEU 13 HG LEU 13 -9.840 3.680 -14.699 86 HD11 LEU 13 1HD1 LEU 13 -10.044 5.992 -13.877 87 HD12 LEU 13 2HD1 LEU 13 -11.407 5.595 -14.934 88 HD13 LEU 13 3HD1 LEU 13 -10.077 6.604 -15.549 89 HD21 LEU 13 3HD2 LEU 13 -9.851 4.921 -17.477 90 HD22 LEU 13 1HD2 LEU 13 -11.168 3.966 -16.752 91 HD23 LEU 13 2HD2 LEU 13 -9.603 3.199 -17.092 92 H TYR 14 H TYR 14 -9.006 3.323 -12.485 93 HA TYR 14 HA TYR 14 -9.655 5.751 -11.125 94 HB2 TYR 14 1HB TYR 14 -9.838 2.942 -10.019 95 HB3 TYR 14 2HB TYR 14 -10.825 4.336 -9.575 96 HD1 TYR 14 HD1 TYR 14 -12.044 5.447 -11.800 97 HD2 TYR 14 HD2 TYR 14 -10.828 1.339 -11.358 98 HE1 TYR 14 HE1 TYR 14 -13.673 4.770 -13.568 99 HE2 TYR 14 HE2 TYR 14 -12.472 0.672 -13.126 100 HH TYR 14 HH TYR 14 -14.119 1.377 -14.559 101 H GLN 15 H GLN 15 -7.261 3.209 -10.545 102 HA GLN 15 HA GLN 15 -6.394 4.224 -7.963 103 HB2 GLN 15 1HB GLN 15 -4.967 2.443 -9.958 104 HB3 GLN 15 2HB GLN 15 -4.505 2.735 -8.276 105 HG2 GLN 15 1HG GLN 15 -6.945 1.930 -7.763 106 HG3 GLN 15 2HG GLN 15 -6.836 1.180 -9.367 107 HE21 GLN 15 2HE2 GLN 15 -5.340 1.429 -6.182 108 HE22 GLN 15 1HE2 GLN 15 -4.532 -0.108 -6.241 109 H LEU 16 H LEU 16 -5.471 4.645 -11.381 110 HA LEU 16 HA LEU 16 -3.148 6.222 -10.863 111 HB2 LEU 16 1HB LEU 16 -4.990 6.134 -13.256 112 HB3 LEU 16 2HB LEU 16 -3.477 7.027 -13.212 113 HG LEU 16 HG LEU 16 -3.717 4.021 -12.788 114 HD11 LEU 16 1HD1 LEU 16 -2.753 3.795 -15.023 115 HD12 LEU 16 2HD1 LEU 16 -2.794 5.561 -15.236 116 HD13 LEU 16 3HD1 LEU 16 -4.306 4.635 -15.086 117 HD21 LEU 16 3HD2 LEU 16 -1.276 5.794 -13.200 118 HD22 LEU 16 1HD2 LEU 16 -1.267 4.018 -13.146 119 HD23 LEU 16 2HD2 LEU 16 -1.719 4.938 -11.707 120 H GLU 17 H GLU 17 -6.606 7.096 -11.097 121 HA GLU 17 HA GLU 17 -6.233 9.930 -10.993 122 HB2 GLU 17 1HB GLU 17 -8.480 8.150 -10.009 123 HB3 GLU 17 2HB GLU 17 -8.545 9.909 -9.939 124 HG2 GLU 17 1HG GLU 17 -8.362 10.063 -12.352 125 HG3 GLU 17 2HG GLU 17 -8.188 8.311 -12.477 126 HE2 GLU 17 HE2 GLU 17 -11.697 9.903 -12.315 127 H ASN 18 H ASN 18 -5.728 7.547 -8.473 128 HA ASN 18 HA ASN 18 -6.236 9.333 -6.232 129 HB2 ASN 18 1HB ASN 18 -4.692 6.750 -6.499 130 HB3 ASN 18 2HB ASN 18 -4.662 7.683 -5.012 131 HD21 ASN 18 2HD2 ASN 18 -7.533 7.533 -7.051 132 HD22 ASN 18 1HD2 ASN 18 -8.472 6.570 -5.939 133 H TYR 19 H TYR 19 -3.558 8.887 -8.442 134 HA TYR 19 HA TYR 19 -1.523 10.116 -6.750 135 HB2 TYR 19 1HB TYR 19 -1.761 9.576 -9.707 136 HB3 TYR 19 2HB TYR 19 -0.340 10.298 -8.997 137 HD1 TYR 19 HD1 TYR 19 -2.258 7.168 -9.320 138 HD2 TYR 19 HD2 TYR 19 1.244 9.028 -7.680 139 HE1 TYR 19 HE1 TYR 19 -1.237 4.928 -8.980 140 HE2 TYR 19 HE2 TYR 19 2.256 6.782 -7.318 141 HH TYR 19 HH TYR 19 0.572 3.763 -8.257 142 H CYS 20 H CYS 20 -4.253 11.363 -8.377 143 HA CYS 20 HA CYS 20 -3.074 13.888 -9.261 144 HB2 CYS 20 1HB CYS 20 -5.957 13.049 -8.813 145 HB3 CYS 20 2HB CYS 20 -5.446 14.568 -9.552 146 H ASN 21 H ASN 21 -3.603 15.973 -8.292 147 HA ASN 21 HA ASN 21 -3.631 15.798 -5.352 148 HB2 ASN 21 1HB ASN 21 -2.149 17.482 -6.519 149 HB3 ASN 21 2HB ASN 21 -3.606 18.319 -7.082 150 HD21 ASN 21 2HD2 ASN 21 -3.396 20.192 -5.896 151 HD22 ASN 21 1HD2 ASN 21 -3.486 20.213 -4.155 152 HXT ASN 21 H02 ASN 21 -4.987 16.474 -4.182 153 H1 PHE 1 3H0 PHE 1 -9.960 1.656 -21.135 154 H2 PHE 1 2H0 PHE 1 -9.342 0.926 -22.480 155 H3 PHE 1 1H0 PHE 1 -9.706 0.024 -21.150 156 HA PHE 1 HA PHE 1 -7.594 2.073 -21.324 157 HB2 PHE 1 1HB PHE 1 -8.827 1.821 -19.107 158 HB3 PHE 1 2HB PHE 1 -8.222 0.161 -19.040 159 HD1 PHE 1 HD2 PHE 1 -7.114 3.741 -19.262 160 HD2 PHE 1 HD1 PHE 1 -6.066 -0.291 -18.148 161 HE1 PHE 1 HE2 PHE 1 -5.006 4.577 -18.237 162 HE2 PHE 1 HE1 PHE 1 -3.970 0.545 -17.094 163 HZ PHE 1 HZ PHE 1 -3.424 2.985 -17.166 164 H VAL 2 H VAL 2 -5.413 1.184 -21.449 165 HA VAL 2 HA VAL 2 -5.435 -1.592 -22.544 166 HB VAL 2 HB VAL 2 -3.295 0.587 -22.748 167 HG11 VAL 2 1HG1 VAL 2 -3.498 -2.156 -24.084 168 HG12 VAL 2 2HG1 VAL 2 -2.263 -0.927 -24.437 169 HG13 VAL 2 3HG1 VAL 2 -2.324 -1.684 -22.832 170 HG21 VAL 2 3HG2 VAL 2 -5.316 -0.417 -24.804 171 HG22 VAL 2 1HG2 VAL 2 -5.258 1.206 -24.075 172 HG23 VAL 2 2HG2 VAL 2 -3.960 0.677 -25.158 173 H ASN 3 H ASN 3 -4.869 -3.126 -21.115 174 HA ASN 3 HA ASN 3 -3.700 -2.389 -18.573 175 HB2 ASN 3 1HB ASN 3 -4.147 -5.092 -19.888 176 HB3 ASN 3 2HB ASN 3 -3.481 -4.877 -18.263 177 HD21 ASN 3 2HD2 ASN 3 -5.887 -6.283 -18.901 178 HD22 ASN 3 1HD2 ASN 3 -7.206 -5.425 -18.144 179 H GLN 4 H GLN 4 -1.671 -2.161 -18.056 180 HA GLN 4 HA GLN 4 0.359 -3.959 -19.094 181 HB2 GLN 4 1HB GLN 4 1.871 -2.191 -19.898 182 HB3 GLN 4 2HB GLN 4 0.398 -2.204 -20.873 183 HG2 GLN 4 1HG GLN 4 -0.469 -0.281 -19.555 184 HG3 GLN 4 2HG GLN 4 1.046 -0.257 -18.641 185 HE21 GLN 4 2HE2 GLN 4 -0.537 0.528 -21.614 186 HE22 GLN 4 1HE2 GLN 4 0.798 1.409 -22.324 187 H HIS 5 H HIS 5 2.088 -3.918 -17.620 188 HA HIS 5 HA HIS 5 1.573 -2.765 -15.003 189 HB2 HIS 5 1HB HIS 5 4.172 -3.832 -16.189 190 HB3 HIS 5 2HB HIS 5 3.863 -3.494 -14.482 191 HD1 HIS 5 HD1 HIS 5 1.270 -4.832 -13.881 192 HD2 HIS 5 HD2 HIS 5 4.082 -6.552 -16.385 193 HE1 HIS 5 HE1 HIS 5 0.773 -7.348 -13.970 194 HE2 HIS 5 HE2 HIS 5 2.522 -8.365 -15.470 195 H LEU 6 H LEU 6 2.395 -0.886 -14.140 196 HA LEU 6 HA LEU 6 3.687 1.004 -16.080 197 HB2 LEU 6 1HB LEU 6 1.422 1.450 -14.109 198 HB3 LEU 6 2HB LEU 6 2.279 2.749 -14.921 199 HG LEU 6 HG LEU 6 0.734 0.611 -16.402 200 HD11 LEU 6 1HD1 LEU 6 -0.134 3.378 -15.511 201 HD12 LEU 6 2HD1 LEU 6 -0.783 1.822 -14.940 202 HD13 LEU 6 3HD1 LEU 6 -1.036 2.322 -16.624 203 HD21 LEU 6 3HD2 LEU 6 0.771 2.353 -18.218 204 HD22 LEU 6 1HD2 LEU 6 2.369 1.701 -17.815 205 HD23 LEU 6 2HD2 LEU 6 1.883 3.308 -17.216 206 H CYS 7 H CYS 7 5.712 1.210 -15.295 207 HA CYS 7 HA CYS 7 5.953 2.156 -12.492 208 HB2 CYS 7 1HB CYS 7 6.523 -0.413 -12.971 209 HB3 CYS 7 2HB CYS 7 8.033 0.280 -13.574 210 H GLY 8 H GLY 8 8.025 3.342 -12.185 211 HA2 GLY 8 1HA GLY 8 9.587 4.892 -12.901 212 HA3 GLY 8 2HA GLY 8 9.786 3.876 -14.342 213 H SER 9 H SER 9 9.857 5.371 -15.941 214 HA SER 9 HA SER 9 8.275 7.721 -16.073 215 HB2 SER 9 1HB SER 9 8.907 7.655 -18.508 216 HB3 SER 9 2HB SER 9 10.278 7.491 -17.387 217 HG SER 9 HG SER 9 10.402 5.936 -19.031 218 H HIS 10 H HIS 10 7.510 4.382 -17.072 219 HA HIS 10 HA HIS 10 5.325 5.079 -18.804 220 HB2 HIS 10 1HB HIS 10 6.111 2.619 -17.274 221 HB3 HIS 10 2HB HIS 10 4.447 2.748 -17.841 222 HD1 HIS 10 HD1 HIS 10 4.106 1.548 -20.014 223 HD2 HIS 10 HD2 HIS 10 7.901 3.352 -19.745 224 HE1 HIS 10 HE1 HIS 10 5.327 1.048 -22.183 225 HE2 HIS 10 HE2 HIS 10 7.609 2.135 -22.012 226 H LEU 11 H LEU 11 5.565 4.669 -15.272 227 HA LEU 11 HA LEU 11 2.728 4.796 -14.842 228 HB2 LEU 11 1HB LEU 11 4.354 3.890 -13.214 229 HB3 LEU 11 2HB LEU 11 5.035 5.493 -12.992 230 HG LEU 11 HG LEU 11 3.038 6.271 -11.884 231 HD11 LEU 11 1HD1 LEU 11 1.159 4.715 -11.378 232 HD12 LEU 11 2HD1 LEU 11 1.865 3.535 -12.507 233 HD13 LEU 11 3HD1 LEU 11 1.283 5.113 -13.098 234 HD21 LEU 11 3HD2 LEU 11 4.736 5.008 -10.587 235 HD22 LEU 11 1HD2 LEU 11 3.833 3.500 -10.881 236 HD23 LEU 11 2HD2 LEU 11 3.105 4.805 -9.915 237 H VAL 12 H VAL 12 5.329 7.267 -14.746 238 HA VAL 12 HA VAL 12 3.607 9.402 -13.971 239 HB VAL 12 HB VAL 12 6.188 9.518 -15.584 240 HG11 VAL 12 1HG1 VAL 12 4.950 11.622 -15.701 241 HG12 VAL 12 2HG1 VAL 12 4.813 11.650 -13.928 242 HG13 VAL 12 3HG1 VAL 12 6.404 11.802 -14.706 243 HG21 VAL 12 3HG2 VAL 12 7.258 9.957 -13.360 244 HG22 VAL 12 1HG2 VAL 12 5.702 9.596 -12.578 245 HG23 VAL 12 2HG2 VAL 12 6.565 8.332 -13.485 246 H GLU 13 H GLU 13 4.593 8.224 -17.231 247 HA GLU 13 HA GLU 13 3.193 10.328 -18.608 248 HB2 GLU 13 1HB GLU 13 4.066 7.572 -19.507 249 HB3 GLU 13 2HB GLU 13 3.327 8.773 -20.575 250 HG2 GLU 13 1HG GLU 13 5.963 9.035 -19.094 251 HG3 GLU 13 2HG GLU 13 5.735 8.867 -20.840 252 HE2 GLU 13 HE2 GLU 13 4.094 10.476 -21.515 253 H ALA 14 H ALA 14 2.153 7.239 -17.258 254 HA ALA 14 HA ALA 14 -0.375 7.210 -18.670 255 HB1 ALA 14 3HB ALA 14 0.406 5.951 -16.010 256 HB2 ALA 14 1HB ALA 14 -1.030 5.553 -16.981 257 HB3 ALA 14 2HB ALA 14 0.595 5.199 -17.611 258 H LEU 15 H LEU 15 0.819 8.576 -15.595 259 HA LEU 15 HA LEU 15 -1.753 9.402 -14.645 260 HB2 LEU 15 1HB LEU 15 1.030 10.492 -14.106 261 HB3 LEU 15 2HB LEU 15 -0.413 11.009 -13.250 262 HG LEU 15 HG LEU 15 0.688 8.196 -13.204 263 HD11 LEU 15 1HD1 LEU 15 1.344 8.643 -10.921 264 HD12 LEU 15 2HD1 LEU 15 0.761 10.314 -11.064 265 HD13 LEU 15 3HD1 LEU 15 2.151 9.769 -12.028 266 HD21 LEU 15 3HD2 LEU 15 -1.653 8.154 -12.958 267 HD22 LEU 15 1HD2 LEU 15 -1.609 9.508 -11.812 268 HD23 LEU 15 2HD2 LEU 15 -0.925 7.926 -11.372 269 H TYR 16 H TYR 16 0.588 10.957 -16.841 270 HA TYR 16 HA TYR 16 -0.695 13.516 -16.930 271 HB2 TYR 16 1HB TYR 16 0.985 11.947 -18.893 272 HB3 TYR 16 2HB TYR 16 0.170 13.424 -19.406 273 HD1 TYR 16 HD1 TYR 16 0.593 15.589 -18.024 274 HD2 TYR 16 HD2 TYR 16 3.124 12.119 -17.839 275 HE1 TYR 16 HE1 TYR 16 2.459 16.983 -17.123 276 HE2 TYR 16 HE2 TYR 16 4.984 13.518 -16.962 277 HH TYR 16 HH TYR 16 4.626 17.017 -16.390 278 H LEU 17 H LEU 17 -1.370 10.453 -18.654 279 HA LEU 17 HA LEU 17 -3.391 11.643 -20.344 280 HB2 LEU 17 1HB LEU 17 -3.011 8.770 -19.461 281 HB3 LEU 17 2HB LEU 17 -4.087 9.319 -20.731 282 HG LEU 17 HG LEU 17 -1.069 9.611 -20.822 283 HD11 LEU 17 1HD1 LEU 17 -2.862 7.495 -22.080 284 HD12 LEU 17 2HD1 LEU 17 -1.748 7.237 -20.714 285 HD13 LEU 17 3HD1 LEU 17 -1.105 7.658 -22.317 286 HD21 LEU 17 3HD2 LEU 17 -3.206 9.880 -22.974 287 HD22 LEU 17 1HD2 LEU 17 -1.450 9.934 -23.251 288 HD23 LEU 17 2HD2 LEU 17 -2.230 11.198 -22.284 289 H VAL 18 H VAL 18 -3.534 9.771 -17.292 290 HA VAL 18 HA VAL 18 -6.422 9.635 -17.349 291 HB VAL 18 HB VAL 18 -4.432 9.138 -15.082 292 HG11 VAL 18 1HG1 VAL 18 -6.293 7.833 -14.043 293 HG12 VAL 18 2HG1 VAL 18 -6.626 9.569 -14.120 294 HG13 VAL 18 3HG1 VAL 18 -7.398 8.465 -15.286 295 HG21 VAL 18 3HG2 VAL 18 -4.085 7.623 -16.921 296 HG22 VAL 18 1HG2 VAL 18 -4.933 6.749 -15.645 297 HG23 VAL 18 2HG2 VAL 18 -5.828 7.310 -17.070 298 H CYS 19 H CYS 19 -4.073 11.721 -15.631 299 HA CYS 19 HA CYS 19 -6.307 13.073 -14.301 300 HB2 CYS 19 1HB CYS 19 -3.723 12.737 -13.581 301 HB3 CYS 19 2HB CYS 19 -3.650 14.365 -14.286 302 H GLY 20 H GLY 20 -4.489 13.406 -17.284 303 HA2 GLY 20 1HA GLY 20 -4.756 14.938 -18.982 304 HA3 GLY 20 2HA GLY 20 -6.266 15.454 -18.206 305 H GLU 21 H GLU 21 -5.922 17.620 -18.607 306 HA GLU 21 HA GLU 21 -3.516 19.016 -17.935 307 HB2 GLU 21 1HB GLU 21 -6.359 19.993 -18.357 308 HB3 GLU 21 2HB GLU 21 -4.940 21.043 -18.242 309 HG2 GLU 21 1HG GLU 21 -3.966 19.937 -20.234 310 HG3 GLU 21 2HG GLU 21 -5.411 18.924 -20.372 311 HE2 GLU 21 HE2 GLU 21 -5.818 21.651 -22.585 312 H ARG 22 H ARG 22 -5.789 17.711 -15.784 313 HA ARG 22 HA ARG 22 -5.999 19.873 -13.885 314 HB2 ARG 22 1HB ARG 22 -6.204 16.866 -13.527 315 HB3 ARG 22 2HB ARG 22 -6.598 18.045 -12.278 316 HG2 ARG 22 1HG ARG 22 -8.385 18.976 -13.651 317 HG3 ARG 22 2HG ARG 22 -7.989 17.865 -14.976 318 HD2 ARG 22 1HD ARG 22 -8.781 16.939 -12.195 319 HD3 ARG 22 2HD ARG 22 -9.941 17.180 -13.517 320 HE ARG 22 HE ARG 22 -7.885 15.513 -14.505 321 HH11 ARG 22 1HH1 ARG 22 -10.423 15.321 -12.053 322 HH12 ARG 22 2HH1 ARG 22 -10.605 13.597 -12.238 323 HH21 ARG 22 1HH2 ARG 22 -8.202 13.303 -14.709 324 HH22 ARG 22 2HH2 ARG 22 -9.365 12.484 -13.705 325 H GLY 23 H GLY 23 -3.500 17.521 -14.556 326 HA2 GLY 23 1HA GLY 23 -1.308 17.575 -13.752 327 HA3 GLY 23 2HA GLY 23 -1.763 18.833 -12.592 328 H PHE 24 H PHE 24 -0.111 16.623 -11.980 329 HA PHE 24 HA PHE 24 -1.655 15.339 -9.826 330 HB2 PHE 24 1HB PHE 24 -0.977 13.091 -10.488 331 HB3 PHE 24 2HB PHE 24 -1.940 13.816 -11.776 332 HD1 PHE 24 HD1 PHE 24 -0.896 14.517 -13.884 333 HD2 PHE 24 HD2 PHE 24 1.378 12.601 -10.791 334 HE1 PHE 24 HE1 PHE 24 0.938 14.098 -15.491 335 HE2 PHE 24 HE2 PHE 24 3.215 12.142 -12.415 336 HZ PHE 24 HZ PHE 24 2.995 12.912 -14.777 337 H PHE 25 H PHE 25 0.111 13.847 -8.638 338 HA PHE 25 HA PHE 25 2.770 15.170 -8.899 339 HB2 PHE 25 1HB PHE 25 2.993 15.296 -6.481 340 HB3 PHE 25 2HB PHE 25 1.575 16.219 -6.992 341 HD1 PHE 25 HD1 PHE 25 -0.713 15.404 -6.487 342 HD2 PHE 25 HD2 PHE 25 2.776 13.278 -5.135 343 HE1 PHE 25 HE1 PHE 25 -2.126 14.095 -4.910 344 HE2 PHE 25 HE2 PHE 25 1.366 11.967 -3.556 345 HZ PHE 25 HZ PHE 25 -1.093 12.365 -3.452 346 H TYR 26 H TYR 26 4.498 13.818 -7.987 347 HA TYR 26 HA TYR 26 3.762 11.014 -7.463 348 HB2 TYR 26 1HB TYR 26 4.092 11.192 -9.948 349 HB3 TYR 26 2HB TYR 26 5.739 11.775 -9.653 350 HD1 TYR 26 HD1 TYR 26 3.467 8.900 -8.730 351 HD2 TYR 26 HD2 TYR 26 7.481 10.178 -9.618 352 HE1 TYR 26 HE1 TYR 26 4.263 6.541 -8.556 353 HE2 TYR 26 HE2 TYR 26 8.257 7.809 -9.470 354 HH TYR 26 HH TYR 26 7.685 5.648 -9.067 355 H THR 27 H THR 27 5.223 10.087 -6.076 356 HA THR 27 HA THR 27 7.498 11.826 -5.222 357 HB THR 27 HB THR 27 5.951 12.152 -3.515 358 HG1 THR 27 HG1 THR 27 7.828 11.513 -2.551 359 HG21 THR 27 1HG2 THR 27 4.202 10.666 -4.073 360 HG22 THR 27 2HG2 THR 27 4.731 10.191 -2.446 361 HG23 THR 27 3HG2 THR 27 5.234 9.234 -3.863 362 HA PRO 28 HA PRO 28 9.062 7.708 -6.489 363 HB2 PRO 28 1HB PRO 28 11.453 8.581 -7.496 364 HB3 PRO 28 2HB PRO 28 9.924 8.696 -8.419 365 HG2 PRO 28 1HG PRO 28 11.308 10.782 -6.788 366 HG3 PRO 28 2HG PRO 28 10.646 10.896 -8.448 367 HD2 PRO 28 1HD PRO 28 9.292 11.798 -6.280 368 HD3 PRO 28 2HD PRO 28 8.420 11.043 -7.655 369 H LYS 29 H LYS 29 10.766 6.401 -5.622 370 HA LYS 29 HA LYS 29 12.216 7.579 -3.304 371 HB2 LYS 29 1HB LYS 29 10.651 4.966 -3.195 372 HB3 LYS 29 2HB LYS 29 11.492 5.774 -1.859 373 HG2 LYS 29 1HG LYS 29 9.901 7.721 -2.192 374 HG3 LYS 29 2HG LYS 29 9.005 6.701 -3.330 375 HD2 LYS 29 1HD LYS 29 8.763 5.018 -1.443 376 HD3 LYS 29 2HD LYS 29 9.370 6.296 -0.364 377 HE2 LYS 29 1HE LYS 29 6.872 6.336 -2.110 378 HE3 LYS 29 2HE LYS 29 6.953 6.423 -0.339 379 HZ1 LYS 29 3HZ LYS 29 6.575 8.606 -1.247 380 HZ2 LYS 29 1HZ LYS 29 7.865 8.494 -2.266 381 HZ3 LYS 29 2HZ LYS 29 8.106 8.590 -0.634 382 H THR 30 H THR 30 14.266 6.851 -3.168 383 HA THR 30 HA THR 30 15.144 4.826 -5.157 384 HB THR 30 HB THR 30 17.443 5.882 -4.410 385 HG1 THR 30 HG1 THR 30 17.096 8.029 -3.614 386 HG21 THR 30 1HG2 THR 30 17.134 7.758 -6.027 387 HG22 THR 30 2HG2 THR 30 15.372 7.603 -5.919 388 HG23 THR 30 3HG2 THR 30 16.339 6.308 -6.655 389 HXT THR 30 H02 THR 30 15.873 3.825 -1.503 Start of MODEL 19 1 H1 GLY 1 3H0 GLY 1 3.978 -1.740 -2.224 2 H2 GLY 1 2H0 GLY 1 4.223 -1.586 -0.602 3 H3 GLY 1 1H0 GLY 1 2.705 -1.417 -1.226 4 HA2 GLY 1 1HA GLY 1 3.657 0.741 -0.644 5 HA3 GLY 1 2HA GLY 1 4.977 0.399 -1.779 6 H ILE 2 H ILE 2 3.139 2.706 -2.003 7 HA ILE 2 HA ILE 2 0.910 2.029 -3.567 8 HB ILE 2 HB ILE 2 1.258 4.168 -2.318 9 HG12 ILE 2 1HG1 ILE 2 0.438 4.550 -5.203 10 HG13 ILE 2 2HG1 ILE 2 -0.545 3.715 -4.006 11 HG21 ILE 2 1HG2 ILE 2 2.442 6.051 -3.290 12 HG22 ILE 2 2HG2 ILE 2 3.576 4.694 -3.231 13 HG23 ILE 2 3HG2 ILE 2 2.804 5.148 -4.773 14 HD11 ILE 2 3HD1 ILE 2 0.264 6.653 -3.959 15 HD12 ILE 2 1HD1 ILE 2 -1.355 5.988 -4.258 16 HD13 ILE 2 2HD1 ILE 2 -0.617 5.827 -2.648 17 H VAL 3 H VAL 3 4.159 2.965 -4.832 18 HA VAL 3 HA VAL 3 3.295 2.838 -7.582 19 HB VAL 3 HB VAL 3 5.319 4.082 -6.959 20 HG11 VAL 3 1HG1 VAL 3 6.090 2.686 -5.056 21 HG12 VAL 3 2HG1 VAL 3 6.594 1.414 -6.199 22 HG13 VAL 3 3HG1 VAL 3 7.389 3.002 -6.214 23 HG21 VAL 3 3HG2 VAL 3 5.185 3.094 -9.247 24 HG22 VAL 3 1HG2 VAL 3 6.853 3.304 -8.687 25 HG23 VAL 3 2HG2 VAL 3 6.106 1.686 -8.686 26 H GLU 4 H GLU 4 4.341 0.463 -5.253 27 HA GLU 4 HA GLU 4 5.132 -1.601 -7.048 28 HB2 GLU 4 1HB GLU 4 5.628 -1.432 -4.580 29 HB3 GLU 4 2HB GLU 4 3.949 -1.868 -4.273 30 HG2 GLU 4 1HG GLU 4 4.306 -4.036 -5.396 31 HG3 GLU 4 2HG GLU 4 6.011 -3.609 -5.628 32 HE2 GLU 4 HE2 GLU 4 5.718 -5.660 -4.442 33 H GLN 5 H GLN 5 1.989 -0.579 -5.713 34 HA GLN 5 HA GLN 5 0.551 -2.923 -6.391 35 HB2 GLN 5 1HB GLN 5 -0.519 -0.081 -6.508 36 HB3 GLN 5 2HB GLN 5 -1.448 -1.566 -6.304 37 HG2 GLN 5 1HG GLN 5 0.387 -0.206 -4.325 38 HG3 GLN 5 2HG GLN 5 -1.333 -0.541 -4.159 39 HE21 GLN 5 2HE2 GLN 5 -1.827 -3.029 -4.351 40 HE22 GLN 5 1HE2 GLN 5 -0.779 -4.047 -3.393 41 H CYS 6 H CYS 6 1.369 -0.040 -8.350 42 HA CYS 6 HA CYS 6 -0.138 -0.994 -10.673 43 HB2 CYS 6 1HB CYS 6 1.921 1.199 -10.265 44 HB3 CYS 6 2HB CYS 6 1.205 0.834 -11.836 45 H CYS 7 H CYS 7 3.067 -1.515 -9.409 46 HA CYS 7 HA CYS 7 4.106 -2.307 -12.027 47 HB2 CYS 7 1HB CYS 7 5.301 -2.229 -9.260 48 HB3 CYS 7 2HB CYS 7 6.137 -2.952 -10.644 49 H THR 8 H THR 8 2.865 -3.903 -9.081 50 HA THR 8 HA THR 8 3.707 -6.518 -10.126 51 HB THR 8 HB THR 8 3.823 -5.906 -7.659 52 HG1 THR 8 HG1 THR 8 2.454 -8.235 -8.555 53 HG21 THR 8 1HG2 THR 8 1.882 -6.161 -6.282 54 HG22 THR 8 2HG2 THR 8 0.871 -6.615 -7.667 55 HG23 THR 8 3HG2 THR 8 1.479 -4.951 -7.516 56 H SER 9 H SER 9 0.653 -4.690 -9.789 57 HA SER 9 HA SER 9 -0.566 -6.704 -11.640 58 HB2 SER 9 1HB SER 9 -1.930 -5.450 -9.193 59 HB3 SER 9 2HB SER 9 -2.688 -6.547 -10.369 60 HG SER 9 HG SER 9 -2.041 -7.756 -8.606 61 H ILE 10 H ILE 10 -2.614 -5.635 -12.655 62 HA ILE 10 HA ILE 10 -1.630 -3.043 -13.588 63 HB ILE 10 HB ILE 10 -4.225 -4.436 -14.359 64 HG12 ILE 10 1HG1 ILE 10 -2.289 -5.935 -14.765 65 HG13 ILE 10 2HG1 ILE 10 -3.121 -5.440 -16.227 66 HG21 ILE 10 1HG2 ILE 10 -3.984 -3.024 -16.420 67 HG22 ILE 10 2HG2 ILE 10 -4.162 -2.057 -14.953 68 HG23 ILE 10 3HG2 ILE 10 -2.557 -2.248 -15.693 69 HD11 ILE 10 3HD1 ILE 10 -1.355 -3.905 -16.818 70 HD12 ILE 10 1HD1 ILE 10 -0.540 -4.173 -15.262 71 HD13 ILE 10 2HD1 ILE 10 -0.647 -5.487 -16.452 72 H CYS 11 H CYS 11 -2.119 -1.187 -12.579 73 HA CYS 11 HA CYS 11 -4.577 -1.022 -10.943 74 HB2 CYS 11 1HB CYS 11 -3.719 1.240 -10.379 75 HB3 CYS 11 2HB CYS 11 -2.570 -0.046 -9.995 76 H SER 12 H SER 12 -6.422 -0.051 -11.691 77 HA SER 12 HA SER 12 -6.522 0.563 -14.552 78 HB2 SER 12 1HB SER 12 -8.921 0.736 -14.206 79 HB3 SER 12 2HB SER 12 -8.325 -0.702 -13.349 80 HG SER 12 HG SER 12 -9.570 0.326 -11.883 81 H LEU 13 H LEU 13 -7.834 2.595 -15.196 82 HA LEU 13 HA LEU 13 -6.383 4.892 -14.428 83 HB2 LEU 13 1HB LEU 13 -7.853 6.129 -15.788 84 HB3 LEU 13 2HB LEU 13 -7.674 4.555 -16.542 85 HG LEU 13 HG LEU 13 -9.970 4.163 -15.101 86 HD11 LEU 13 1HD1 LEU 13 -10.054 6.523 -14.362 87 HD12 LEU 13 2HD1 LEU 13 -11.401 6.146 -15.449 88 HD13 LEU 13 3HD1 LEU 13 -10.002 7.062 -16.055 89 HD21 LEU 13 3HD2 LEU 13 -9.627 3.591 -17.441 90 HD22 LEU 13 1HD2 LEU 13 -9.714 5.314 -17.896 91 HD23 LEU 13 2HD2 LEU 13 -11.146 4.484 -17.236 92 H TYR 14 H TYR 14 -9.304 3.491 -13.025 93 HA TYR 14 HA TYR 14 -10.120 5.845 -11.606 94 HB2 TYR 14 1HB TYR 14 -10.615 2.949 -10.850 95 HB3 TYR 14 2HB TYR 14 -11.600 4.355 -10.421 96 HD1 TYR 14 HD1 TYR 14 -12.748 5.644 -12.378 97 HD2 TYR 14 HD2 TYR 14 -11.033 1.723 -12.829 98 HE1 TYR 14 HE1 TYR 14 -14.064 5.303 -14.471 99 HE2 TYR 14 HE2 TYR 14 -12.345 1.396 -14.933 100 HH TYR 14 HH TYR 14 -14.584 3.873 -16.183 101 H GLN 15 H GLN 15 -7.974 3.111 -10.869 102 HA GLN 15 HA GLN 15 -7.543 3.896 -8.119 103 HB2 GLN 15 1HB GLN 15 -5.690 2.286 -9.912 104 HB3 GLN 15 2HB GLN 15 -5.718 2.306 -8.147 105 HG2 GLN 15 1HG GLN 15 -7.769 1.129 -10.040 106 HG3 GLN 15 2HG GLN 15 -6.754 0.269 -8.882 107 HE21 GLN 15 2HE2 GLN 15 -7.120 1.012 -6.517 108 HE22 GLN 15 1HE2 GLN 15 -8.790 1.248 -6.065 109 H LEU 16 H LEU 16 -5.979 4.482 -11.245 110 HA LEU 16 HA LEU 16 -3.717 5.898 -10.260 111 HB2 LEU 16 1HB LEU 16 -5.127 5.860 -12.917 112 HB3 LEU 16 2HB LEU 16 -3.721 6.881 -12.631 113 HG LEU 16 HG LEU 16 -3.692 3.880 -12.191 114 HD11 LEU 16 1HD1 LEU 16 -2.770 5.420 -14.645 115 HD12 LEU 16 2HD1 LEU 16 -4.198 4.358 -14.556 116 HD13 LEU 16 3HD1 LEU 16 -2.574 3.674 -14.353 117 HD21 LEU 16 3HD2 LEU 16 -1.469 5.941 -12.519 118 HD22 LEU 16 1HD2 LEU 16 -1.234 4.188 -12.372 119 HD23 LEU 16 2HD2 LEU 16 -1.910 5.100 -11.014 120 H GLU 17 H GLU 17 -7.031 7.061 -10.894 121 HA GLU 17 HA GLU 17 -6.454 9.848 -10.900 122 HB2 GLU 17 1HB GLU 17 -8.832 8.281 -9.853 123 HB3 GLU 17 2HB GLU 17 -8.772 10.041 -9.809 124 HG2 GLU 17 1HG GLU 17 -8.356 8.604 -12.420 125 HG3 GLU 17 2HG GLU 17 -9.983 8.822 -11.773 126 HE2 GLU 17 HE2 GLU 17 -7.910 11.952 -13.022 127 H ASN 18 H ASN 18 -6.543 7.531 -8.219 128 HA ASN 18 HA ASN 18 -6.631 9.511 -6.136 129 HB2 ASN 18 1HB ASN 18 -5.588 6.664 -6.101 130 HB3 ASN 18 2HB ASN 18 -5.833 7.671 -4.671 131 HD21 ASN 18 2HD2 ASN 18 -7.160 5.273 -6.426 132 HD22 ASN 18 1HD2 ASN 18 -8.849 5.533 -6.053 133 H TYR 19 H TYR 19 -4.039 8.281 -8.145 134 HA TYR 19 HA TYR 19 -1.863 8.918 -6.341 135 HB2 TYR 19 1HB TYR 19 -2.005 8.480 -9.329 136 HB3 TYR 19 2HB TYR 19 -0.503 8.832 -8.493 137 HD1 TYR 19 HD2 TYR 19 -3.400 6.431 -8.035 138 HD2 TYR 19 HD1 TYR 19 0.859 6.992 -8.111 139 HE1 TYR 19 HE2 TYR 19 -3.085 4.032 -7.569 140 HE2 TYR 19 HE1 TYR 19 1.170 4.565 -7.660 141 HH TYR 19 HH TYR 19 0.101 2.560 -7.070 142 H CYS 20 H CYS 20 -3.893 10.750 -8.511 143 HA CYS 20 HA CYS 20 -2.080 13.097 -8.188 144 HB2 CYS 20 1HB CYS 20 -2.864 13.901 -10.317 145 HB3 CYS 20 2HB CYS 20 -2.133 12.311 -10.502 146 H ASN 21 H ASN 21 -4.309 12.046 -6.507 147 HA ASN 21 HA ASN 21 -6.615 13.731 -6.935 148 HB2 ASN 21 1HB ASN 21 -6.710 11.561 -5.706 149 HB3 ASN 21 2HB ASN 21 -5.766 12.258 -4.390 150 HD21 ASN 21 2HD2 ASN 21 -8.856 11.897 -5.831 151 HD22 ASN 21 1HD2 ASN 21 -9.733 12.896 -4.702 152 HXT ASN 21 H02 ASN 21 -4.536 15.665 -4.286 153 H1 PHE 1 3H0 PHE 1 -9.441 3.755 -21.832 154 H2 PHE 1 2H0 PHE 1 -8.996 2.809 -23.110 155 H3 PHE 1 1H0 PHE 1 -9.906 2.173 -21.894 156 HA PHE 1 HA PHE 1 -7.126 3.120 -21.654 157 HB2 PHE 1 1HB PHE 1 -8.796 3.366 -19.676 158 HB3 PHE 1 2HB PHE 1 -8.712 1.605 -19.565 159 HD1 PHE 1 HD2 PHE 1 -6.697 4.750 -19.389 160 HD2 PHE 1 HD1 PHE 1 -6.829 0.533 -18.507 161 HE1 PHE 1 HE2 PHE 1 -4.629 4.976 -18.023 162 HE2 PHE 1 HE1 PHE 1 -4.751 0.754 -17.144 163 HZ PHE 1 HZ PHE 1 -3.646 2.979 -16.910 164 H VAL 2 H VAL 2 -5.582 1.308 -21.242 165 HA VAL 2 HA VAL 2 -6.601 -1.350 -22.094 166 HB VAL 2 HB VAL 2 -5.784 -0.205 -24.172 167 HG11 VAL 2 1HG1 VAL 2 -4.136 1.331 -23.161 168 HG12 VAL 2 2HG1 VAL 2 -3.092 -0.052 -22.750 169 HG13 VAL 2 3HG1 VAL 2 -3.406 0.359 -24.451 170 HG21 VAL 2 3HG2 VAL 2 -4.276 -1.958 -24.942 171 HG22 VAL 2 1HG2 VAL 2 -3.889 -2.420 -23.271 172 HG23 VAL 2 2HG2 VAL 2 -5.535 -2.667 -23.912 173 H ASN 3 H ASN 3 -5.362 -3.045 -21.140 174 HA ASN 3 HA ASN 3 -3.899 -2.108 -18.782 175 HB2 ASN 3 1HB ASN 3 -3.794 -4.399 -18.074 176 HB3 ASN 3 2HB ASN 3 -5.462 -4.037 -18.566 177 HD21 ASN 3 2HD2 ASN 3 -6.181 -4.908 -20.640 178 HD22 ASN 3 1HD2 ASN 3 -5.405 -6.339 -21.270 179 H GLN 4 H GLN 4 -1.828 -1.870 -18.602 180 HA GLN 4 HA GLN 4 0.001 -3.797 -19.714 181 HB2 GLN 4 1HB GLN 4 1.462 -2.156 -20.869 182 HB3 GLN 4 2HB GLN 4 -0.077 -2.386 -21.702 183 HG2 GLN 4 1HG GLN 4 -0.913 -0.297 -20.676 184 HG3 GLN 4 2HG GLN 4 0.670 -0.040 -19.950 185 HE21 GLN 4 2HE2 GLN 4 -1.256 0.622 -22.595 186 HE22 GLN 4 1HE2 GLN 4 -0.006 1.148 -23.696 187 H HIS 5 H HIS 5 1.748 -3.856 -18.316 188 HA HIS 5 HA HIS 5 1.587 -2.283 -15.892 189 HB2 HIS 5 1HB HIS 5 3.471 -4.307 -17.050 190 HB3 HIS 5 2HB HIS 5 4.042 -3.300 -15.729 191 HD1 HIS 5 HD1 HIS 5 2.155 -3.170 -13.588 192 HD2 HIS 5 HD2 HIS 5 2.297 -6.526 -16.055 193 HE1 HIS 5 HE1 HIS 5 1.073 -5.053 -12.338 194 HE2 HIS 5 HE2 HIS 5 1.202 -7.110 -13.788 195 H LEU 6 H LEU 6 2.516 -0.427 -15.341 196 HA LEU 6 HA LEU 6 4.635 0.700 -17.105 197 HB2 LEU 6 1HB LEU 6 2.178 2.140 -16.031 198 HB3 LEU 6 2HB LEU 6 3.504 2.911 -16.892 199 HG LEU 6 HG LEU 6 1.730 0.776 -18.115 200 HD11 LEU 6 1HD1 LEU 6 1.518 3.782 -18.419 201 HD12 LEU 6 2HD1 LEU 6 0.407 2.752 -17.477 202 HD13 LEU 6 3HD1 LEU 6 0.523 2.553 -19.236 203 HD21 LEU 6 3HD2 LEU 6 3.955 1.130 -19.209 204 HD22 LEU 6 1HD2 LEU 6 3.494 2.835 -19.476 205 HD23 LEU 6 2HD2 LEU 6 2.577 1.529 -20.244 206 H CYS 7 H CYS 7 6.323 1.429 -15.916 207 HA CYS 7 HA CYS 7 5.894 2.138 -13.052 208 HB2 CYS 7 1HB CYS 7 8.048 0.279 -14.139 209 HB3 CYS 7 2HB CYS 7 7.974 0.890 -12.483 210 H GLY 8 H GLY 8 7.777 3.447 -12.238 211 HA2 GLY 8 1HA GLY 8 9.347 5.129 -12.504 212 HA3 GLY 8 2HA GLY 8 9.850 4.300 -13.988 213 H SER 9 H SER 9 10.079 5.980 -15.394 214 HA SER 9 HA SER 9 8.387 8.255 -15.543 215 HB2 SER 9 1HB SER 9 9.395 8.509 -17.821 216 HB3 SER 9 2HB SER 9 10.595 8.224 -16.540 217 HG SER 9 HG SER 9 10.986 6.910 -18.363 218 H HIS 10 H HIS 10 7.988 5.002 -16.904 219 HA HIS 10 HA HIS 10 5.982 5.810 -18.834 220 HB2 HIS 10 1HB HIS 10 6.710 3.155 -17.584 221 HB3 HIS 10 2HB HIS 10 5.353 3.344 -18.681 222 HD1 HIS 10 HD1 HIS 10 5.912 2.669 -21.011 223 HD2 HIS 10 HD2 HIS 10 9.166 4.464 -19.058 224 HE1 HIS 10 HE1 HIS 10 7.838 2.735 -22.677 225 HE2 HIS 10 HE2 HIS 10 9.790 3.809 -21.483 226 H LEU 11 H LEU 11 5.899 5.026 -15.371 227 HA LEU 11 HA LEU 11 2.991 4.852 -15.293 228 HB2 LEU 11 1HB LEU 11 4.531 3.825 -13.604 229 HB3 LEU 11 2HB LEU 11 4.938 5.441 -13.040 230 HG LEU 11 HG LEU 11 2.618 5.795 -12.312 231 HD11 LEU 11 1HD1 LEU 11 1.364 4.425 -13.896 232 HD12 LEU 11 2HD1 LEU 11 1.041 3.856 -12.253 233 HD13 LEU 11 3HD1 LEU 11 2.153 2.944 -13.295 234 HD21 LEU 11 3HD2 LEU 11 3.752 3.145 -11.335 235 HD22 LEU 11 1HD2 LEU 11 2.646 4.223 -10.449 236 HD23 LEU 11 2HD2 LEU 11 4.301 4.757 -10.808 237 H VAL 12 H VAL 12 5.449 7.381 -14.910 238 HA VAL 12 HA VAL 12 3.698 9.468 -14.025 239 HB VAL 12 HB VAL 12 6.265 9.606 -15.692 240 HG11 VAL 12 1HG1 VAL 12 4.978 11.685 -15.914 241 HG12 VAL 12 2HG1 VAL 12 4.873 11.809 -14.143 242 HG13 VAL 12 3HG1 VAL 12 6.447 11.935 -14.953 243 HG21 VAL 12 3HG2 VAL 12 5.793 9.914 -12.699 244 HG22 VAL 12 1HG2 VAL 12 6.603 8.549 -13.491 245 HG23 VAL 12 2HG2 VAL 12 7.348 10.157 -13.528 246 H GLU 13 H GLU 13 4.591 8.247 -17.278 247 HA GLU 13 HA GLU 13 3.019 10.193 -18.706 248 HB2 GLU 13 1HB GLU 13 4.059 7.450 -19.450 249 HB3 GLU 13 2HB GLU 13 3.156 8.480 -20.569 250 HG2 GLU 13 1HG GLU 13 5.781 9.208 -19.229 251 HG3 GLU 13 2HG GLU 13 5.578 8.701 -20.910 252 HE2 GLU 13 HE2 GLU 13 5.254 12.399 -20.010 253 H ALA 14 H ALA 14 2.170 7.192 -17.068 254 HA ALA 14 HA ALA 14 -0.387 6.878 -18.372 255 HB1 ALA 14 3HB ALA 14 0.916 5.193 -16.861 256 HB2 ALA 14 1HB ALA 14 0.202 6.078 -15.501 257 HB3 ALA 14 2HB ALA 14 -0.853 5.278 -16.687 258 H LEU 15 H LEU 15 0.793 8.557 -15.448 259 HA LEU 15 HA LEU 15 -1.784 9.467 -14.593 260 HB2 LEU 15 1HB LEU 15 1.011 10.491 -14.051 261 HB3 LEU 15 2HB LEU 15 -0.432 11.092 -13.235 262 HG LEU 15 HG LEU 15 0.443 8.186 -13.156 263 HD11 LEU 15 1HD1 LEU 15 0.914 10.384 -11.106 264 HD12 LEU 15 2HD1 LEU 15 2.158 9.599 -12.110 265 HD13 LEU 15 3HD1 LEU 15 1.272 8.652 -10.895 266 HD21 LEU 15 3HD2 LEU 15 -1.080 8.060 -11.257 267 HD22 LEU 15 1HD2 LEU 15 -1.944 8.591 -12.703 268 HD23 LEU 15 2HD2 LEU 15 -1.501 9.777 -11.456 269 H TYR 16 H TYR 16 0.586 10.820 -16.853 270 HA TYR 16 HA TYR 16 -0.500 13.426 -17.155 271 HB2 TYR 16 1HB TYR 16 1.010 11.514 -18.889 272 HB3 TYR 16 2HB TYR 16 0.100 12.764 -19.728 273 HD1 TYR 16 HD2 TYR 16 0.573 15.214 -19.207 274 HD2 TYR 16 HD1 TYR 16 3.126 12.025 -17.863 275 HE1 TYR 16 HE2 TYR 16 2.429 16.841 -18.840 276 HE2 TYR 16 HE1 TYR 16 4.981 13.655 -17.521 277 HH TYR 16 HH TYR 16 4.604 17.133 -18.180 278 H LEU 17 H LEU 17 -1.447 10.310 -18.659 279 HA LEU 17 HA LEU 17 -3.567 11.491 -20.222 280 HB2 LEU 17 1HB LEU 17 -3.155 8.631 -19.309 281 HB3 LEU 17 2HB LEU 17 -4.297 9.161 -20.532 282 HG LEU 17 HG LEU 17 -1.284 9.440 -20.780 283 HD11 LEU 17 1HD1 LEU 17 -1.965 7.077 -20.635 284 HD12 LEU 17 2HD1 LEU 17 -1.414 7.489 -22.272 285 HD13 LEU 17 3HD1 LEU 17 -3.154 7.335 -21.937 286 HD21 LEU 17 3HD2 LEU 17 -3.527 9.726 -22.822 287 HD22 LEU 17 1HD2 LEU 17 -1.786 9.756 -23.191 288 HD23 LEU 17 2HD2 LEU 17 -2.500 11.033 -22.189 289 H VAL 18 H VAL 18 -3.486 9.794 -17.086 290 HA VAL 18 HA VAL 18 -6.352 9.554 -16.929 291 HB VAL 18 HB VAL 18 -4.170 9.268 -14.816 292 HG11 VAL 18 1HG1 VAL 18 -6.183 9.708 -13.613 293 HG12 VAL 18 2HG1 VAL 18 -7.139 8.648 -14.674 294 HG13 VAL 18 3HG1 VAL 18 -5.933 7.962 -13.564 295 HG21 VAL 18 3HG2 VAL 18 -4.100 7.663 -16.694 296 HG22 VAL 18 1HG2 VAL 18 -4.518 6.874 -15.170 297 HG23 VAL 18 2HG2 VAL 18 -5.781 7.213 -16.374 298 H CYS 19 H CYS 19 -4.036 11.828 -15.402 299 HA CYS 19 HA CYS 19 -6.339 13.253 -14.205 300 HB2 CYS 19 1HB CYS 19 -3.531 13.099 -13.646 301 HB3 CYS 19 2HB CYS 19 -3.962 14.790 -13.957 302 H GLY 20 H GLY 20 -4.468 13.305 -17.139 303 HA2 GLY 20 1HA GLY 20 -4.849 14.566 -19.020 304 HA3 GLY 20 2HA GLY 20 -6.274 15.241 -18.222 305 H GLU 21 H GLU 21 -5.784 17.207 -19.250 306 HA GLU 21 HA GLU 21 -3.327 18.575 -18.961 307 HB2 GLU 21 1HB GLU 21 -4.445 20.458 -19.922 308 HB3 GLU 21 2HB GLU 21 -5.018 18.991 -20.715 309 HG2 GLU 21 1HG GLU 21 -7.086 19.074 -19.325 310 HG3 GLU 21 2HG GLU 21 -6.509 20.577 -18.591 311 HE2 GLU 21 HE2 GLU 21 -8.470 19.468 -20.599 312 H ARG 22 H ARG 22 -5.526 18.090 -16.385 313 HA ARG 22 HA ARG 22 -5.340 20.750 -15.275 314 HB2 ARG 22 1HB ARG 22 -6.591 19.993 -13.536 315 HB3 ARG 22 2HB ARG 22 -7.041 18.830 -14.783 316 HG2 ARG 22 1HG ARG 22 -5.264 17.284 -13.793 317 HG3 ARG 22 2HG ARG 22 -5.137 18.446 -12.457 318 HD2 ARG 22 1HD ARG 22 -6.646 16.877 -11.678 319 HD3 ARG 22 2HD ARG 22 -7.680 18.201 -12.266 320 HE ARG 22 HE ARG 22 -7.243 16.424 -14.409 321 HH11 ARG 22 1HH1 ARG 22 -8.880 16.313 -11.274 322 HH12 ARG 22 2HH1 ARG 22 -9.992 15.075 -11.795 323 HH21 ARG 22 1HH2 ARG 22 -8.685 14.852 -14.993 324 HH22 ARG 22 2HH2 ARG 22 -9.886 14.263 -13.871 325 H GLY 23 H GLY 23 -3.107 18.214 -15.585 326 HA2 GLY 23 1HA GLY 23 -0.851 18.298 -14.890 327 HA3 GLY 23 2HA GLY 23 -1.263 19.532 -13.678 328 H PHE 24 H PHE 24 0.291 17.499 -12.773 329 HA PHE 24 HA PHE 24 -1.411 16.180 -10.829 330 HB2 PHE 24 1HB PHE 24 -0.946 13.906 -11.455 331 HB3 PHE 24 2HB PHE 24 -1.719 14.694 -12.824 332 HD1 PHE 24 HD1 PHE 24 -0.223 15.493 -14.746 333 HD2 PHE 24 HD2 PHE 24 1.110 12.855 -11.634 334 HE1 PHE 24 HE1 PHE 24 1.674 14.780 -16.163 335 HE2 PHE 24 HE2 PHE 24 2.984 12.108 -13.048 336 HZ PHE 24 HZ PHE 24 3.283 13.082 -15.330 337 H PHE 25 H PHE 25 0.077 14.588 -9.544 338 HA PHE 25 HA PHE 25 2.906 15.515 -9.593 339 HB2 PHE 25 1HB PHE 25 2.914 15.513 -7.133 340 HB3 PHE 25 2HB PHE 25 1.766 16.700 -7.759 341 HD1 PHE 25 HD2 PHE 25 -0.669 16.364 -7.516 342 HD2 PHE 25 HD1 PHE 25 2.154 13.531 -5.921 343 HE1 PHE 25 HE2 PHE 25 -2.477 15.340 -6.148 344 HE2 PHE 25 HE1 PHE 25 0.353 12.509 -4.541 345 HZ PHE 25 HZ PHE 25 -1.966 13.407 -4.653 346 H TYR 26 H TYR 26 4.285 13.869 -8.390 347 HA TYR 26 HA TYR 26 3.131 11.145 -8.324 348 HB2 TYR 26 1HB TYR 26 3.859 11.404 -10.654 349 HB3 TYR 26 2HB TYR 26 5.437 11.997 -10.122 350 HD1 TYR 26 HD1 TYR 26 3.190 8.997 -9.673 351 HD2 TYR 26 HD2 TYR 26 7.219 10.468 -9.982 352 HE1 TYR 26 HE1 TYR 26 4.050 6.665 -9.585 353 HE2 TYR 26 HE2 TYR 26 8.071 8.126 -9.917 354 HH TYR 26 HH TYR 26 7.551 5.935 -9.686 355 H THR 27 H THR 27 4.404 9.732 -7.046 356 HA THR 27 HA THR 27 6.442 11.120 -5.375 357 HB THR 27 HB THR 27 5.876 9.177 -3.770 358 HG1 THR 27 HG1 THR 27 3.562 8.570 -4.253 359 HG21 THR 27 1HG2 THR 27 3.911 10.348 -2.899 360 HG22 THR 27 2HG2 THR 27 3.652 11.154 -4.463 361 HG23 THR 27 3HG2 THR 27 5.088 11.543 -3.483 362 HA PRO 28 HA PRO 28 8.885 7.985 -7.626 363 HB2 PRO 28 1HB PRO 28 11.217 9.344 -7.848 364 HB3 PRO 28 2HB PRO 28 9.803 9.763 -8.872 365 HG2 PRO 28 1HG PRO 28 10.708 11.026 -6.294 366 HG3 PRO 28 2HG PRO 28 10.349 11.812 -7.865 367 HD2 PRO 28 1HD PRO 28 8.519 11.678 -5.861 368 HD3 PRO 28 2HD PRO 28 8.043 11.564 -7.592 369 H LYS 29 H LYS 29 11.131 6.997 -7.077 370 HA LYS 29 HA LYS 29 12.107 7.477 -4.371 371 HB2 LYS 29 1HB LYS 29 12.040 5.123 -3.768 372 HB3 LYS 29 2HB LYS 29 10.394 5.716 -3.972 373 HG2 LYS 29 1HG LYS 29 10.209 4.618 -6.142 374 HG3 LYS 29 2HG LYS 29 11.908 4.135 -6.097 375 HD2 LYS 29 1HD LYS 29 9.831 3.214 -4.073 376 HD3 LYS 29 2HD LYS 29 10.282 2.303 -5.525 377 HE2 LYS 29 1HE LYS 29 12.150 3.053 -3.226 378 HE3 LYS 29 2HE LYS 29 11.487 1.443 -3.553 379 HZ1 LYS 29 3HZ LYS 29 12.709 1.473 -5.674 380 HZ2 LYS 29 1HZ LYS 29 13.729 1.620 -4.386 381 HZ3 LYS 29 2HZ LYS 29 13.367 2.943 -5.296 382 H THR 30 H THR 30 14.274 6.527 -4.252 383 HA THR 30 HA THR 30 15.496 6.267 -6.941 384 HB THR 30 HB THR 30 17.622 6.542 -5.476 385 HG1 THR 30 HG1 THR 30 17.075 7.389 -3.366 386 HG21 THR 30 1HG2 THR 30 15.404 8.708 -5.396 387 HG22 THR 30 2HG2 THR 30 16.570 8.475 -6.707 388 HG23 THR 30 3HG2 THR 30 17.133 9.004 -5.114 389 HXT THR 30 H02 THR 30 17.047 4.888 -7.143 Start of MODEL 20 1 H1 GLY 1 3H0 GLY 1 4.969 1.966 0.116 2 H2 GLY 1 2H0 GLY 1 6.038 1.576 -1.078 3 H3 GLY 1 1H0 GLY 1 6.505 2.567 0.157 4 HA2 GLY 1 1HA GLY 1 4.962 4.267 -0.545 5 HA3 GLY 1 2HA GLY 1 6.134 3.863 -1.816 6 H ILE 2 H ILE 2 3.329 4.984 -1.973 7 HA ILE 2 HA ILE 2 1.506 2.979 -2.751 8 HB ILE 2 HB ILE 2 0.958 5.335 -2.123 9 HG12 ILE 2 1HG1 ILE 2 -0.155 4.487 -4.811 10 HG13 ILE 2 2HG1 ILE 2 -0.649 3.828 -3.259 11 HG21 ILE 2 1HG2 ILE 2 2.778 6.451 -3.479 12 HG22 ILE 2 2HG2 ILE 2 1.828 6.129 -4.940 13 HG23 ILE 2 3HG2 ILE 2 1.180 7.190 -3.681 14 HD11 ILE 2 3HD1 ILE 2 -1.416 6.143 -2.587 15 HD12 ILE 2 1HD1 ILE 2 -1.056 6.685 -4.247 16 HD13 ILE 2 2HD1 ILE 2 -2.298 5.451 -3.966 17 H VAL 3 H VAL 3 4.068 4.487 -4.648 18 HA VAL 3 HA VAL 3 3.236 3.888 -7.258 19 HB VAL 3 HB VAL 3 5.165 5.240 -7.065 20 HG11 VAL 3 1HG1 VAL 3 5.831 4.786 -4.777 21 HG12 VAL 3 2HG1 VAL 3 6.369 3.137 -5.205 22 HG13 VAL 3 3HG1 VAL 3 7.245 4.560 -5.815 23 HG21 VAL 3 3HG2 VAL 3 5.446 3.509 -8.871 24 HG22 VAL 3 1HG2 VAL 3 6.980 4.150 -8.249 25 HG23 VAL 3 2HG2 VAL 3 6.421 2.542 -7.744 26 H GLU 4 H GLU 4 4.374 1.649 -4.805 27 HA GLU 4 HA GLU 4 5.352 -0.382 -6.505 28 HB2 GLU 4 1HB GLU 4 5.719 -0.095 -4.018 29 HB3 GLU 4 2HB GLU 4 4.085 -0.717 -3.765 30 HG2 GLU 4 1HG GLU 4 5.640 -2.512 -3.454 31 HG3 GLU 4 2HG GLU 4 4.756 -2.806 -4.954 32 HE2 GLU 4 HE2 GLU 4 6.246 -4.010 -5.677 33 H GLN 5 H GLN 5 2.103 0.431 -5.380 34 HA GLN 5 HA GLN 5 0.794 -2.013 -5.941 35 HB2 GLN 5 1HB GLN 5 -0.118 -0.011 -4.734 36 HB3 GLN 5 2HB GLN 5 -0.238 0.825 -6.282 37 HG2 GLN 5 1HG GLN 5 -1.844 -0.864 -7.079 38 HG3 GLN 5 2HG GLN 5 -1.730 -1.699 -5.519 39 HE21 GLN 5 2HE2 GLN 5 -4.142 -0.729 -6.573 40 HE22 GLN 5 1HE2 GLN 5 -4.704 0.572 -5.544 41 H CYS 6 H CYS 6 1.658 0.742 -8.054 42 HA CYS 6 HA CYS 6 0.323 -0.626 -10.331 43 HB2 CYS 6 1HB CYS 6 1.795 2.020 -10.173 44 HB3 CYS 6 2HB CYS 6 1.012 1.376 -11.618 45 H CYS 7 H CYS 7 3.481 -0.279 -8.964 46 HA CYS 7 HA CYS 7 4.928 -0.851 -11.388 47 HB2 CYS 7 1HB CYS 7 5.799 0.168 -9.187 48 HB3 CYS 7 2HB CYS 7 5.797 -1.477 -8.543 49 H THR 8 H THR 8 3.692 -2.830 -8.663 50 HA THR 8 HA THR 8 4.744 -5.252 -9.932 51 HB THR 8 HB THR 8 4.754 -4.785 -7.408 52 HG1 THR 8 HG1 THR 8 3.735 -7.178 -8.557 53 HG21 THR 8 1HG2 THR 8 2.269 -4.148 -7.332 54 HG22 THR 8 2HG2 THR 8 2.820 -5.318 -6.116 55 HG23 THR 8 3HG2 THR 8 1.923 -5.881 -7.540 56 H SER 9 H SER 9 1.678 -3.574 -10.001 57 HA SER 9 HA SER 9 0.590 -5.933 -11.421 58 HB2 SER 9 1HB SER 9 -0.078 -5.953 -8.929 59 HB3 SER 9 2HB SER 9 -1.059 -4.514 -9.282 60 HG SER 9 HG SER 9 -2.160 -6.600 -9.453 61 H ILE 10 H ILE 10 -1.922 -5.202 -11.998 62 HA ILE 10 HA ILE 10 -1.287 -3.115 -13.985 63 HB ILE 10 HB ILE 10 -3.818 -4.793 -13.632 64 HG12 ILE 10 1HG1 ILE 10 -1.834 -6.210 -14.059 65 HG13 ILE 10 2HG1 ILE 10 -3.023 -6.264 -15.354 66 HG21 ILE 10 1HG2 ILE 10 -4.317 -2.800 -14.928 67 HG22 ILE 10 2HG2 ILE 10 -2.869 -3.031 -15.940 68 HG23 ILE 10 3HG2 ILE 10 -4.234 -4.173 -16.041 69 HD11 ILE 10 3HD1 ILE 10 -0.662 -6.210 -16.149 70 HD12 ILE 10 1HD1 ILE 10 -1.650 -4.882 -16.780 71 HD13 ILE 10 2HD1 ILE 10 -0.501 -4.580 -15.465 72 H CYS 11 H CYS 11 -1.916 -1.051 -13.842 73 HA CYS 11 HA CYS 11 -4.064 -0.390 -11.875 74 HB2 CYS 11 1HB CYS 11 -1.591 1.092 -12.738 75 HB3 CYS 11 2HB CYS 11 -3.009 1.966 -12.147 76 H SER 12 H SER 12 -5.878 -0.368 -12.989 77 HA SER 12 HA SER 12 -6.182 0.672 -15.665 78 HB2 SER 12 1HB SER 12 -8.229 0.479 -13.413 79 HB3 SER 12 2HB SER 12 -8.571 0.584 -15.156 80 HG SER 12 HG SER 12 -8.664 -1.578 -14.354 81 H LEU 13 H LEU 13 -7.514 2.729 -16.049 82 HA LEU 13 HA LEU 13 -6.182 4.949 -15.000 83 HB2 LEU 13 1HB LEU 13 -7.814 6.305 -16.073 84 HB3 LEU 13 2HB LEU 13 -7.476 4.911 -17.084 85 HG LEU 13 HG LEU 13 -9.706 4.043 -15.742 86 HD11 LEU 13 1HD1 LEU 13 -10.056 6.206 -14.626 87 HD12 LEU 13 2HD1 LEU 13 -11.335 5.916 -15.817 88 HD13 LEU 13 3HD1 LEU 13 -10.017 7.045 -16.196 89 HD21 LEU 13 3HD2 LEU 13 -9.605 5.663 -18.315 90 HD22 LEU 13 1HD2 LEU 13 -10.910 4.557 -17.822 91 HD23 LEU 13 2HD2 LEU 13 -9.289 3.916 -18.160 92 H TYR 14 H TYR 14 -9.048 3.341 -13.672 93 HA TYR 14 HA TYR 14 -9.808 5.417 -11.876 94 HB2 TYR 14 1HB TYR 14 -10.099 2.444 -11.403 95 HB3 TYR 14 2HB TYR 14 -11.153 3.742 -10.836 96 HD1 TYR 14 HD1 TYR 14 -12.327 5.166 -12.766 97 HD2 TYR 14 HD2 TYR 14 -10.652 1.239 -13.335 98 HE1 TYR 14 HE1 TYR 14 -13.710 4.861 -14.827 99 HE2 TYR 14 HE2 TYR 14 -12.022 0.956 -15.401 100 HH TYR 14 HH TYR 14 -13.617 1.868 -16.764 101 H GLN 15 H GLN 15 -7.507 2.714 -11.589 102 HA GLN 15 HA GLN 15 -6.984 3.126 -8.778 103 HB2 GLN 15 1HB GLN 15 -5.100 1.899 -10.817 104 HB3 GLN 15 2HB GLN 15 -5.138 1.614 -9.076 105 HG2 GLN 15 1HG GLN 15 -7.111 0.675 -11.178 106 HG3 GLN 15 2HG GLN 15 -6.068 -0.313 -10.154 107 HE21 GLN 15 2HE2 GLN 15 -6.506 -0.036 -7.722 108 HE22 GLN 15 1HE2 GLN 15 -8.189 0.057 -7.263 109 H LEU 16 H LEU 16 -5.624 4.260 -11.831 110 HA LEU 16 HA LEU 16 -3.369 5.626 -10.741 111 HB2 LEU 16 1HB LEU 16 -4.922 6.023 -13.299 112 HB3 LEU 16 2HB LEU 16 -3.454 6.911 -12.910 113 HG LEU 16 HG LEU 16 -3.611 3.881 -13.091 114 HD11 LEU 16 1HD1 LEU 16 -4.040 4.867 -15.275 115 HD12 LEU 16 2HD1 LEU 16 -2.428 4.137 -15.234 116 HD13 LEU 16 3HD1 LEU 16 -2.604 5.905 -15.115 117 HD21 LEU 16 3HD2 LEU 16 -1.244 5.793 -12.915 118 HD22 LEU 16 1HD2 LEU 16 -1.125 4.047 -13.228 119 HD23 LEU 16 2HD2 LEU 16 -1.757 4.622 -11.678 120 H GLU 17 H GLU 17 -6.774 6.606 -11.026 121 HA GLU 17 HA GLU 17 -6.382 9.398 -10.623 122 HB2 GLU 17 1HB GLU 17 -8.656 7.540 -9.900 123 HB3 GLU 17 2HB GLU 17 -8.725 9.279 -9.610 124 HG2 GLU 17 1HG GLU 17 -8.462 9.748 -11.970 125 HG3 GLU 17 2HG GLU 17 -8.226 8.042 -12.324 126 HE2 GLU 17 HE2 GLU 17 -10.085 10.002 -13.055 127 H ASN 18 H ASN 18 -5.917 6.791 -8.344 128 HA ASN 18 HA ASN 18 -6.288 8.344 -5.932 129 HB2 ASN 18 1HB ASN 18 -4.641 5.863 -6.527 130 HB3 ASN 18 2HB ASN 18 -4.756 6.593 -4.922 131 HD21 ASN 18 2HD2 ASN 18 -6.245 4.559 -7.214 132 HD22 ASN 18 1HD2 ASN 18 -7.710 4.245 -6.302 133 H TYR 19 H TYR 19 -3.726 8.128 -8.291 134 HA TYR 19 HA TYR 19 -1.661 9.304 -6.541 135 HB2 TYR 19 1HB TYR 19 -1.744 8.623 -9.475 136 HB3 TYR 19 2HB TYR 19 -0.308 9.167 -8.630 137 HD1 TYR 19 HD1 TYR 19 -2.830 6.407 -8.820 138 HD2 TYR 19 HD2 TYR 19 1.046 7.610 -7.422 139 HE1 TYR 19 HE1 TYR 19 -2.339 4.073 -8.208 140 HE2 TYR 19 HE2 TYR 19 1.532 5.253 -6.825 141 HH TYR 19 HH TYR 19 0.609 3.100 -6.535 142 H CYS 20 H CYS 20 -4.319 10.480 -8.109 143 HA CYS 20 HA CYS 20 -3.081 12.581 -9.709 144 HB2 CYS 20 1HB CYS 20 -5.195 11.130 -10.165 145 HB3 CYS 20 2HB CYS 20 -6.022 12.291 -9.126 146 H ASN 21 H ASN 21 -3.466 14.784 -9.559 147 HA ASN 21 HA ASN 21 -3.907 15.838 -6.829 148 HB2 ASN 21 1HB ASN 21 -2.000 16.759 -8.155 149 HB3 ASN 21 2HB ASN 21 -3.123 17.224 -9.437 150 HD21 ASN 21 2HD2 ASN 21 -3.147 19.369 -9.438 151 HD22 ASN 21 1HD2 ASN 21 -3.522 20.336 -8.024 152 HXT ASN 21 H02 ASN 21 -5.269 17.207 -6.432 153 H1 PHE 1 3H0 PHE 1 -8.308 3.005 -22.941 154 H2 PHE 1 2H0 PHE 1 -7.519 2.153 -24.113 155 H3 PHE 1 1H0 PHE 1 -8.501 1.369 -23.047 156 HA PHE 1 HA PHE 1 -5.980 2.742 -22.384 157 HB2 PHE 1 1HB PHE 1 -7.970 2.702 -20.695 158 HB3 PHE 1 2HB PHE 1 -7.619 0.976 -20.543 159 HD1 PHE 1 HD2 PHE 1 -6.249 4.413 -20.055 160 HD2 PHE 1 HD1 PHE 1 -5.726 0.211 -19.237 161 HE1 PHE 1 HE2 PHE 1 -4.473 4.961 -18.402 162 HE2 PHE 1 HE1 PHE 1 -3.946 0.759 -17.581 163 HZ PHE 1 HZ PHE 1 -3.306 3.135 -17.176 164 H VAL 2 H VAL 2 -4.246 1.201 -21.729 165 HA VAL 2 HA VAL 2 -4.679 -1.538 -22.873 166 HB VAL 2 HB VAL 2 -2.148 0.189 -23.052 167 HG11 VAL 2 1HG1 VAL 2 -1.257 -1.673 -24.451 168 HG12 VAL 2 2HG1 VAL 2 -1.601 -2.202 -22.795 169 HG13 VAL 2 3HG1 VAL 2 -2.722 -2.621 -24.112 170 HG21 VAL 2 3HG2 VAL 2 -2.545 0.083 -25.527 171 HG22 VAL 2 1HG2 VAL 2 -4.120 -0.684 -25.216 172 HG23 VAL 2 2HG2 VAL 2 -3.807 0.980 -24.664 173 H ASN 3 H ASN 3 -4.179 -3.128 -21.392 174 HA ASN 3 HA ASN 3 -3.379 -2.249 -18.733 175 HB2 ASN 3 1HB ASN 3 -3.779 -5.015 -19.915 176 HB3 ASN 3 2HB ASN 3 -3.287 -4.710 -18.242 177 HD21 ASN 3 2HD2 ASN 3 -5.700 -6.039 -19.164 178 HD22 ASN 3 1HD2 ASN 3 -7.043 -5.089 -18.575 179 H GLN 4 H GLN 4 -1.452 -2.050 -17.967 180 HA GLN 4 HA GLN 4 0.649 -3.963 -18.570 181 HB2 GLN 4 1HB GLN 4 2.270 -2.060 -19.154 182 HB3 GLN 4 2HB GLN 4 1.167 -2.559 -20.442 183 HG2 GLN 4 1HG GLN 4 -0.298 -0.651 -19.950 184 HG3 GLN 4 2HG GLN 4 0.785 -0.138 -18.662 185 HE21 GLN 4 2HE2 GLN 4 -0.013 0.160 -21.900 186 HE22 GLN 4 1HE2 GLN 4 1.435 0.975 -22.445 187 H HIS 5 H HIS 5 2.185 -3.802 -16.925 188 HA HIS 5 HA HIS 5 1.406 -2.456 -14.463 189 HB2 HIS 5 1HB HIS 5 4.124 -3.559 -15.279 190 HB3 HIS 5 2HB HIS 5 3.606 -3.139 -13.642 191 HD1 HIS 5 HD1 HIS 5 0.951 -4.495 -13.339 192 HD2 HIS 5 HD2 HIS 5 4.114 -6.283 -15.323 193 HE1 HIS 5 HE1 HIS 5 0.519 -7.021 -13.308 194 HE2 HIS 5 HE2 HIS 5 2.473 -8.082 -14.505 195 H LEU 6 H LEU 6 2.151 -0.506 -13.639 196 HA LEU 6 HA LEU 6 3.574 1.237 -15.619 197 HB2 LEU 6 1HB LEU 6 1.305 1.746 -13.696 198 HB3 LEU 6 2HB LEU 6 2.343 3.033 -14.218 199 HG LEU 6 HG LEU 6 0.777 3.447 -15.678 200 HD11 LEU 6 1HD1 LEU 6 1.899 1.044 -17.160 201 HD12 LEU 6 2HD1 LEU 6 2.411 2.740 -17.293 202 HD13 LEU 6 3HD1 LEU 6 0.815 2.259 -17.863 203 HD21 LEU 6 3HD2 LEU 6 -0.974 1.847 -16.388 204 HD22 LEU 6 1HD2 LEU 6 -0.824 2.012 -14.633 205 HD23 LEU 6 2HD2 LEU 6 -0.148 0.586 -15.449 206 H CYS 7 H CYS 7 5.609 1.335 -14.947 207 HA CYS 7 HA CYS 7 6.078 2.304 -12.176 208 HB2 CYS 7 1HB CYS 7 6.447 -0.276 -12.621 209 HB3 CYS 7 2HB CYS 7 7.929 0.267 -13.412 210 H GLY 8 H GLY 8 8.038 3.579 -11.998 211 HA2 GLY 8 1HA GLY 8 9.628 5.053 -12.809 212 HA3 GLY 8 2HA GLY 8 9.855 3.919 -14.152 213 H SER 9 H SER 9 9.915 5.191 -15.916 214 HA SER 9 HA SER 9 8.428 7.571 -16.298 215 HB2 SER 9 1HB SER 9 9.017 7.235 -18.706 216 HB3 SER 9 2HB SER 9 10.401 7.067 -17.604 217 HG SER 9 HG SER 9 10.338 5.374 -19.131 218 H HIS 10 H HIS 10 7.520 4.187 -16.870 219 HA HIS 10 HA HIS 10 5.319 4.733 -18.632 220 HB2 HIS 10 1HB HIS 10 6.021 2.468 -16.771 221 HB3 HIS 10 2HB HIS 10 4.435 2.537 -17.510 222 HD1 HIS 10 HD1 HIS 10 4.214 1.243 -19.614 223 HD2 HIS 10 HD2 HIS 10 8.113 2.719 -19.044 224 HE1 HIS 10 HE1 HIS 10 5.606 0.410 -21.543 225 HE2 HIS 10 HE2 HIS 10 7.960 1.301 -21.206 226 H LEU 11 H LEU 11 5.628 4.817 -15.085 227 HA LEU 11 HA LEU 11 2.794 4.904 -14.624 228 HB2 LEU 11 1HB LEU 11 4.438 4.257 -12.894 229 HB3 LEU 11 2HB LEU 11 5.096 5.891 -12.908 230 HG LEU 11 HG LEU 11 2.981 6.775 -12.026 231 HD11 LEU 11 1HD1 LEU 11 1.267 5.214 -11.124 232 HD12 LEU 11 2HD1 LEU 11 2.098 3.867 -11.936 233 HD13 LEU 11 3HD1 LEU 11 1.360 5.174 -12.892 234 HD21 LEU 11 3HD2 LEU 11 3.192 5.851 -9.780 235 HD22 LEU 11 1HD2 LEU 11 4.789 6.065 -10.523 236 HD23 LEU 11 2HD2 LEU 11 4.066 4.439 -10.425 237 H VAL 12 H VAL 12 5.281 7.493 -14.823 238 HA VAL 12 HA VAL 12 3.313 9.506 -14.265 239 HB VAL 12 HB VAL 12 5.031 11.153 -14.924 240 HG11 VAL 12 1HG1 VAL 12 5.025 10.059 -12.658 241 HG12 VAL 12 2HG1 VAL 12 6.233 8.898 -13.253 242 HG13 VAL 12 3HG1 VAL 12 6.626 10.630 -13.169 243 HG21 VAL 12 3HG2 VAL 12 6.732 8.755 -15.696 244 HG22 VAL 12 1HG2 VAL 12 6.074 9.968 -16.819 245 HG23 VAL 12 2HG2 VAL 12 7.280 10.439 -15.610 246 H GLU 13 H GLU 13 4.477 8.047 -17.300 247 HA GLU 13 HA GLU 13 3.238 9.974 -19.024 248 HB2 GLU 13 1HB GLU 13 4.008 7.067 -19.366 249 HB3 GLU 13 2HB GLU 13 3.219 7.987 -20.656 250 HG2 GLU 13 1HG GLU 13 5.844 8.749 -19.337 251 HG3 GLU 13 2HG GLU 13 5.678 7.941 -20.903 252 HE2 GLU 13 HE2 GLU 13 5.576 11.755 -20.736 253 H ALA 14 H ALA 14 2.032 6.948 -17.532 254 HA ALA 14 HA ALA 14 -0.514 7.051 -18.848 255 HB1 ALA 14 3HB ALA 14 0.254 5.851 -16.159 256 HB2 ALA 14 1HB ALA 14 -1.190 5.453 -17.126 257 HB3 ALA 14 2HB ALA 14 0.430 5.042 -17.735 258 H LEU 15 H LEU 15 0.753 8.372 -15.776 259 HA LEU 15 HA LEU 15 -1.775 9.269 -14.814 260 HB2 LEU 15 1HB LEU 15 1.090 9.944 -14.199 261 HB3 LEU 15 2HB LEU 15 -0.222 10.862 -13.468 262 HG LEU 15 HG LEU 15 -0.050 7.856 -13.244 263 HD11 LEU 15 1HD1 LEU 15 0.886 9.909 -11.211 264 HD12 LEU 15 2HD1 LEU 15 1.961 8.922 -12.228 265 HD13 LEU 15 3HD1 LEU 15 0.899 8.142 -11.036 266 HD21 LEU 15 3HD2 LEU 15 -2.256 9.009 -12.883 267 HD22 LEU 15 1HD2 LEU 15 -1.495 9.934 -11.575 268 HD23 LEU 15 2HD2 LEU 15 -1.634 8.161 -11.469 269 H TYR 16 H TYR 16 0.567 10.844 -16.981 270 HA TYR 16 HA TYR 16 -0.562 13.471 -16.815 271 HB2 TYR 16 1HB TYR 16 0.875 11.980 -19.031 272 HB3 TYR 16 2HB TYR 16 0.204 13.590 -19.295 273 HD1 TYR 16 HD1 TYR 16 0.880 15.419 -17.444 274 HD2 TYR 16 HD2 TYR 16 3.131 11.868 -18.340 275 HE1 TYR 16 HE1 TYR 16 2.929 16.461 -16.468 276 HE2 TYR 16 HE2 TYR 16 5.171 12.913 -17.364 277 HH TYR 16 HH TYR 16 5.151 16.196 -15.981 278 H LEU 17 H LEU 17 -1.524 10.578 -18.665 279 HA LEU 17 HA LEU 17 -3.541 11.978 -20.189 280 HB2 LEU 17 1HB LEU 17 -3.361 9.048 -19.444 281 HB3 LEU 17 2HB LEU 17 -4.395 9.751 -20.672 282 HG LEU 17 HG LEU 17 -1.361 9.781 -20.784 283 HD11 LEU 17 1HD1 LEU 17 -3.334 7.885 -22.118 284 HD12 LEU 17 2HD1 LEU 17 -2.234 7.475 -20.778 285 HD13 LEU 17 3HD1 LEU 17 -1.572 7.913 -22.366 286 HD21 LEU 17 3HD2 LEU 17 -3.477 10.328 -22.905 287 HD22 LEU 17 1HD2 LEU 17 -1.723 10.248 -23.190 288 HD23 LEU 17 2HD2 LEU 17 -2.395 11.528 -22.161 289 H VAL 18 H VAL 18 -3.621 10.013 -17.207 290 HA VAL 18 HA VAL 18 -6.490 9.967 -17.030 291 HB VAL 18 HB VAL 18 -4.324 9.520 -14.913 292 HG11 VAL 18 1HG1 VAL 18 -7.306 8.886 -14.804 293 HG12 VAL 18 2HG1 VAL 18 -6.092 8.296 -13.642 294 HG13 VAL 18 3HG1 VAL 18 -6.421 10.033 -13.768 295 HG21 VAL 18 3HG2 VAL 18 -5.946 7.617 -16.646 296 HG22 VAL 18 1HG2 VAL 18 -4.206 7.933 -16.757 297 HG23 VAL 18 2HG2 VAL 18 -4.862 7.123 -15.330 298 H CYS 19 H CYS 19 -3.986 12.063 -15.620 299 HA CYS 19 HA CYS 19 -6.051 13.557 -14.152 300 HB2 CYS 19 1HB CYS 19 -3.052 13.864 -14.388 301 HB3 CYS 19 2HB CYS 19 -4.093 14.878 -13.369 302 H GLY 20 H GLY 20 -4.331 13.860 -17.222 303 HA2 GLY 20 1HA GLY 20 -4.404 15.577 -18.767 304 HA3 GLY 20 2HA GLY 20 -5.873 16.166 -17.954 305 H GLU 21 H GLU 21 -5.402 18.327 -17.908 306 HA GLU 21 HA GLU 21 -2.832 19.384 -17.176 307 HB2 GLU 21 1HB GLU 21 -5.578 20.683 -17.251 308 HB3 GLU 21 2HB GLU 21 -4.049 21.551 -17.086 309 HG2 GLU 21 1HG GLU 21 -4.889 19.874 -19.482 310 HG3 GLU 21 2HG GLU 21 -4.870 21.640 -19.396 311 HE2 GLU 21 HE2 GLU 21 -3.492 19.472 -20.775 312 H ARG 22 H ARG 22 -5.126 17.949 -15.109 313 HA ARG 22 HA ARG 22 -4.994 19.823 -12.901 314 HB2 ARG 22 1HB ARG 22 -5.567 16.840 -12.970 315 HB3 ARG 22 2HB ARG 22 -5.743 17.860 -11.542 316 HG2 ARG 22 1HG ARG 22 -7.457 19.190 -12.632 317 HG3 ARG 22 2HG ARG 22 -7.273 18.259 -14.133 318 HD2 ARG 22 1HD ARG 22 -8.005 17.000 -11.475 319 HD3 ARG 22 2HD ARG 22 -9.210 17.597 -12.632 320 HE ARG 22 HE ARG 22 -7.452 15.881 -14.039 321 HH11 ARG 22 1HH1 ARG 22 -9.868 15.619 -11.477 322 HH12 ARG 22 2HH1 ARG 22 -10.307 13.993 -11.918 323 HH21 ARG 22 1HH2 ARG 22 -8.061 13.781 -14.546 324 HH22 ARG 22 2HH2 ARG 22 -9.300 12.980 -13.623 325 H GLY 23 H GLY 23 -2.838 17.358 -14.100 326 HA2 GLY 23 1HA GLY 23 -0.661 16.921 -13.397 327 HA3 GLY 23 2HA GLY 23 -0.873 18.061 -12.055 328 H PHE 24 H PHE 24 0.446 15.961 -11.298 329 HA PHE 24 HA PHE 24 -1.372 14.428 -9.585 330 HB2 PHE 24 1HB PHE 24 -0.530 12.253 -10.399 331 HB3 PHE 24 2HB PHE 24 -1.449 13.099 -11.634 332 HD1 PHE 24 HD1 PHE 24 1.933 12.105 -10.560 333 HD2 PHE 24 HD2 PHE 24 -0.461 13.817 -13.682 334 HE1 PHE 24 HE1 PHE 24 3.818 11.869 -12.110 335 HE2 PHE 24 HE2 PHE 24 1.425 13.564 -15.263 336 HZ PHE 24 HZ PHE 24 3.586 12.612 -14.496 337 H PHE 25 H PHE 25 0.265 12.717 -8.437 338 HA PHE 25 HA PHE 25 2.830 14.177 -7.972 339 HB2 PHE 25 1HB PHE 25 2.590 13.727 -5.556 340 HB3 PHE 25 2HB PHE 25 1.335 14.807 -6.170 341 HD1 PHE 25 HD1 PHE 25 2.025 11.351 -4.967 342 HD2 PHE 25 HD2 PHE 25 -0.985 14.197 -6.149 343 HE1 PHE 25 HE1 PHE 25 0.256 9.873 -4.019 344 HE2 PHE 25 HE2 PHE 25 -2.756 12.728 -5.226 345 HZ PHE 25 HZ PHE 25 -2.136 10.563 -4.134 346 H TYR 26 H TYR 26 4.355 12.795 -6.688 347 HA TYR 26 HA TYR 26 4.072 9.890 -7.215 348 HB2 TYR 26 1HB TYR 26 5.187 10.852 -9.220 349 HB3 TYR 26 2HB TYR 26 6.379 11.642 -8.180 350 HD1 TYR 26 HD1 TYR 26 5.010 8.234 -9.012 351 HD2 TYR 26 HD2 TYR 26 8.401 10.526 -7.680 352 HE1 TYR 26 HE1 TYR 26 6.429 6.191 -9.066 353 HE2 TYR 26 HE2 TYR 26 9.809 8.468 -7.739 354 HH TYR 26 HH TYR 26 9.880 6.223 -8.182 355 H THR 27 H THR 27 5.693 8.731 -5.876 356 HA THR 27 HA THR 27 6.581 10.391 -3.554 357 HB THR 27 HB THR 27 6.432 8.292 -2.218 358 HG1 THR 27 HG1 THR 27 6.612 6.913 -4.118 359 HG21 THR 27 1HG2 THR 27 3.821 8.917 -3.672 360 HG22 THR 27 2HG2 THR 27 4.503 9.912 -2.363 361 HG23 THR 27 3HG2 THR 27 4.009 8.238 -2.040 362 HA PRO 28 HA PRO 28 10.466 8.720 -5.377 363 HB2 PRO 28 1HB PRO 28 11.961 10.971 -5.331 364 HB3 PRO 28 2HB PRO 28 10.662 10.772 -6.553 365 HG2 PRO 28 1HG PRO 28 10.573 12.215 -3.912 366 HG3 PRO 28 2HG PRO 28 10.118 12.816 -5.538 367 HD2 PRO 28 1HD PRO 28 8.295 11.815 -3.767 368 HD3 PRO 28 2HD PRO 28 8.119 11.628 -5.546 369 H LYS 29 H LYS 29 12.859 9.127 -4.380 370 HA LYS 29 HA LYS 29 12.618 9.342 -1.398 371 HB2 LYS 29 1HB LYS 29 14.590 7.642 -2.979 372 HB3 LYS 29 2HB LYS 29 14.572 7.862 -1.225 373 HG2 LYS 29 1HG LYS 29 12.154 6.902 -1.355 374 HG3 LYS 29 2HG LYS 29 12.638 6.324 -2.959 375 HD2 LYS 29 1HD LYS 29 14.044 5.712 -0.315 376 HD3 LYS 29 2HD LYS 29 12.984 4.601 -1.191 377 HE2 LYS 29 1HE LYS 29 15.652 5.691 -2.213 378 HE3 LYS 29 2HE LYS 29 15.395 4.085 -1.517 379 HZ1 LYS 29 3HZ LYS 29 15.402 4.019 -3.924 380 HZ2 LYS 29 1HZ LYS 29 14.139 5.078 -4.009 381 HZ3 LYS 29 2HZ LYS 29 13.917 3.577 -3.357 382 H THR 30 H THR 30 13.158 11.508 -1.225 383 HA THR 30 HA THR 30 15.356 12.632 -2.796 384 HB THR 30 HB THR 30 14.872 14.643 -1.229 385 HG1 THR 30 HG1 THR 30 13.911 13.567 0.467 386 HG21 THR 30 1HG2 THR 30 13.817 14.413 -3.530 387 HG22 THR 30 2HG2 THR 30 12.727 15.177 -2.364 388 HG23 THR 30 3HG2 THR 30 12.485 13.484 -2.807 389 HXT THR 30 H02 THR 30 16.651 11.149 -2.152 Start of MODEL 21 1 H1 GLY 1 3H0 GLY 1 4.079 0.778 -0.122 2 H2 GLY 1 2H0 GLY 1 2.910 -0.029 -0.963 3 H3 GLY 1 1H0 GLY 1 4.355 0.315 -1.681 4 HA2 GLY 1 1HA GLY 1 2.384 2.303 -0.791 5 HA3 GLY 1 2HA GLY 1 3.925 2.654 -1.601 6 H ILE 2 H ILE 2 1.487 3.565 -2.655 7 HA ILE 2 HA ILE 2 0.210 1.777 -4.394 8 HB ILE 2 HB ILE 2 -0.643 3.989 -3.634 9 HG12 ILE 2 1HG1 ILE 2 -0.694 3.575 -6.638 10 HG13 ILE 2 2HG1 ILE 2 -1.636 2.650 -5.474 11 HG21 ILE 2 1HG2 ILE 2 -0.009 6.056 -4.822 12 HG22 ILE 2 2HG2 ILE 2 1.400 5.352 -4.015 13 HG23 ILE 2 3HG2 ILE 2 1.196 5.168 -5.769 14 HD11 ILE 2 3HD1 ILE 2 -1.892 5.632 -6.059 15 HD12 ILE 2 1HD1 ILE 2 -3.050 4.348 -6.461 16 HD13 ILE 2 2HD1 ILE 2 -2.766 4.778 -4.760 17 H VAL 3 H VAL 3 3.196 3.633 -5.012 18 HA VAL 3 HA VAL 3 3.234 3.102 -7.812 19 HB VAL 3 HB VAL 3 4.716 4.797 -7.125 20 HG11 VAL 3 1HG1 VAL 3 4.930 4.326 -4.751 21 HG12 VAL 3 2HG1 VAL 3 5.905 2.872 -5.083 22 HG13 VAL 3 3HG1 VAL 3 6.543 4.487 -5.455 23 HG21 VAL 3 3HG2 VAL 3 5.659 3.196 -8.852 24 HG22 VAL 3 1HG2 VAL 3 6.884 4.122 -7.951 25 HG23 VAL 3 2HG2 VAL 3 6.583 2.416 -7.547 26 H GLU 4 H GLU 4 4.370 1.133 -5.030 27 HA GLU 4 HA GLU 4 5.614 -0.862 -6.704 28 HB2 GLU 4 1HB GLU 4 4.451 -0.972 -3.902 29 HB3 GLU 4 2HB GLU 4 5.087 -2.400 -4.716 30 HG2 GLU 4 1HG GLU 4 6.837 -1.639 -3.405 31 HG3 GLU 4 2HG GLU 4 7.227 -1.143 -5.057 32 HE2 GLU 4 HE2 GLU 4 8.311 0.459 -4.701 33 H GLN 5 H GLN 5 2.340 -0.487 -5.317 34 HA GLN 5 HA GLN 5 1.342 -2.998 -6.178 35 HB2 GLN 5 1HB GLN 5 -0.053 -0.330 -5.760 36 HB3 GLN 5 2HB GLN 5 -0.898 -1.871 -5.968 37 HG2 GLN 5 1HG GLN 5 -0.254 -2.668 -3.874 38 HG3 GLN 5 2HG GLN 5 1.190 -1.653 -3.807 39 HE21 GLN 5 2HE2 GLN 5 -2.301 -0.955 -4.263 40 HE22 GLN 5 1HE2 GLN 5 -2.373 0.226 -2.979 41 H CYS 6 H CYS 6 1.483 0.164 -7.836 42 HA CYS 6 HA CYS 6 0.088 -0.837 -10.188 43 HB2 CYS 6 1HB CYS 6 1.499 1.694 -9.396 44 HB3 CYS 6 2HB CYS 6 1.157 1.389 -11.107 45 H CYS 7 H CYS 7 3.406 -0.893 -9.145 46 HA CYS 7 HA CYS 7 4.427 -1.228 -11.876 47 HB2 CYS 7 1HB CYS 7 5.749 -0.022 -10.232 48 HB3 CYS 7 2HB CYS 7 5.760 -1.429 -9.168 49 H THR 8 H THR 8 3.946 -3.245 -8.932 50 HA THR 8 HA THR 8 4.970 -5.591 -10.353 51 HB THR 8 HB THR 8 5.416 -5.143 -7.909 52 HG1 THR 8 HG1 THR 8 4.247 -7.560 -8.829 53 HG21 THR 8 1HG2 THR 8 3.830 -5.393 -6.262 54 HG22 THR 8 2HG2 THR 8 2.760 -6.391 -7.282 55 HG23 THR 8 3HG2 THR 8 2.837 -4.632 -7.517 56 H SER 9 H SER 9 1.877 -4.103 -10.037 57 HA SER 9 HA SER 9 0.764 -6.479 -11.395 58 HB2 SER 9 1HB SER 9 0.237 -6.601 -8.874 59 HB3 SER 9 2HB SER 9 -0.756 -5.146 -9.097 60 HG SER 9 HG SER 9 -1.856 -7.248 -9.287 61 H ILE 10 H ILE 10 -1.812 -5.709 -11.797 62 HA ILE 10 HA ILE 10 -1.219 -3.790 -13.897 63 HB ILE 10 HB ILE 10 -3.840 -5.127 -13.107 64 HG12 ILE 10 1HG1 ILE 10 -2.093 -6.715 -13.813 65 HG13 ILE 10 2HG1 ILE 10 -3.453 -6.661 -14.929 66 HG21 ILE 10 1HG2 ILE 10 -4.587 -4.490 -15.443 67 HG22 ILE 10 2HG2 ILE 10 -4.410 -3.123 -14.333 68 HG23 ILE 10 3HG2 ILE 10 -3.155 -3.434 -15.554 69 HD11 ILE 10 3HD1 ILE 10 -0.791 -5.265 -15.394 70 HD12 ILE 10 1HD1 ILE 10 -1.281 -6.818 -16.097 71 HD13 ILE 10 2HD1 ILE 10 -2.153 -5.338 -16.525 72 H CYS 11 H CYS 11 -1.316 -1.699 -13.816 73 HA CYS 11 HA CYS 11 -2.813 -0.390 -11.621 74 HB2 CYS 11 1HB CYS 11 -0.380 0.108 -12.320 75 HB3 CYS 11 2HB CYS 11 -1.074 0.878 -13.737 76 H SER 12 H SER 12 -4.959 -0.290 -12.189 77 HA SER 12 HA SER 12 -5.770 0.200 -14.960 78 HB2 SER 12 1HB SER 12 -8.046 0.172 -14.029 79 HB3 SER 12 2HB SER 12 -7.114 -1.218 -13.432 80 HG SER 12 HG SER 12 -8.034 -0.382 -11.650 81 H LEU 13 H LEU 13 -7.286 2.090 -15.419 82 HA LEU 13 HA LEU 13 -5.986 4.535 -14.837 83 HB2 LEU 13 1HB LEU 13 -7.771 5.610 -15.973 84 HB3 LEU 13 2HB LEU 13 -7.429 4.097 -16.795 85 HG LEU 13 HG LEU 13 -9.478 3.305 -15.176 86 HD11 LEU 13 1HD1 LEU 13 -11.229 5.065 -15.311 87 HD12 LEU 13 2HD1 LEU 13 -10.015 6.214 -15.917 88 HD13 LEU 13 3HD1 LEU 13 -9.880 5.548 -14.271 89 HD21 LEU 13 3HD2 LEU 13 -10.901 3.523 -17.173 90 HD22 LEU 13 1HD2 LEU 13 -9.287 2.909 -17.580 91 HD23 LEU 13 2HD2 LEU 13 -9.701 4.611 -17.911 92 H TYR 14 H TYR 14 -8.523 2.826 -13.111 93 HA TYR 14 HA TYR 14 -9.442 5.020 -11.538 94 HB2 TYR 14 1HB TYR 14 -9.348 2.115 -10.711 95 HB3 TYR 14 2HB TYR 14 -10.514 3.344 -10.215 96 HD1 TYR 14 HD1 TYR 14 -11.872 4.438 -12.301 97 HD2 TYR 14 HD2 TYR 14 -9.951 0.585 -12.350 98 HE1 TYR 14 HE1 TYR 14 -13.317 3.733 -14.215 99 HE2 TYR 14 HE2 TYR 14 -11.396 -0.105 -14.271 100 HH TYR 14 HH TYR 14 -13.102 0.490 -15.679 101 H GLN 15 H GLN 15 -6.825 2.655 -11.136 102 HA GLN 15 HA GLN 15 -6.114 3.460 -8.448 103 HB2 GLN 15 1HB GLN 15 -4.528 2.090 -10.650 104 HB3 GLN 15 2HB GLN 15 -3.957 2.299 -8.993 105 HG2 GLN 15 1HG GLN 15 -6.467 0.782 -9.775 106 HG3 GLN 15 2HG GLN 15 -4.888 0.051 -9.466 107 HE21 GLN 15 2HE2 GLN 15 -7.774 0.399 -8.097 108 HE22 GLN 15 1HE2 GLN 15 -7.323 0.524 -6.415 109 H LEU 16 H LEU 16 -5.160 4.385 -11.724 110 HA LEU 16 HA LEU 16 -3.009 6.103 -11.000 111 HB2 LEU 16 1HB LEU 16 -4.843 6.037 -13.396 112 HB3 LEU 16 2HB LEU 16 -3.520 7.185 -13.254 113 HG LEU 16 HG LEU 16 -3.139 4.179 -13.102 114 HD11 LEU 16 1HD1 LEU 16 -2.318 4.312 -15.403 115 HD12 LEU 16 2HD1 LEU 16 -2.779 6.029 -15.477 116 HD13 LEU 16 3HD1 LEU 16 -4.022 4.770 -15.298 117 HD21 LEU 16 3HD2 LEU 16 -0.797 4.712 -13.570 118 HD22 LEU 16 1HD2 LEU 16 -1.324 5.523 -12.093 119 HD23 LEU 16 2HD2 LEU 16 -1.174 6.443 -13.606 120 H GLU 17 H GLU 17 -6.522 6.758 -11.174 121 HA GLU 17 HA GLU 17 -6.389 9.588 -10.987 122 HB2 GLU 17 1HB GLU 17 -8.390 7.611 -9.845 123 HB3 GLU 17 2HB GLU 17 -8.622 9.358 -9.808 124 HG2 GLU 17 1HG GLU 17 -8.662 9.468 -12.223 125 HG3 GLU 17 2HG GLU 17 -8.250 7.758 -12.346 126 HE2 GLU 17 HE2 GLU 17 -11.890 8.734 -11.140 127 H ASN 18 H ASN 18 -5.852 7.144 -8.513 128 HA ASN 18 HA ASN 18 -6.239 8.822 -6.227 129 HB2 ASN 18 1HB ASN 18 -4.526 6.343 -6.556 130 HB3 ASN 18 2HB ASN 18 -4.922 7.101 -5.012 131 HD21 ASN 18 2HD2 ASN 18 -5.571 4.448 -6.397 132 HD22 ASN 18 1HD2 ASN 18 -7.296 4.299 -6.154 133 H TYR 19 H TYR 19 -3.534 8.549 -8.425 134 HA TYR 19 HA TYR 19 -1.479 9.572 -6.619 135 HB2 TYR 19 1HB TYR 19 -1.770 9.337 -9.597 136 HB3 TYR 19 2HB TYR 19 -0.326 9.992 -8.864 137 HD1 TYR 19 HD2 TYR 19 -2.385 6.891 -9.135 138 HD2 TYR 19 HD1 TYR 19 1.384 8.613 -8.007 139 HE1 TYR 19 HE2 TYR 19 -1.396 4.622 -8.987 140 HE2 TYR 19 HE1 TYR 19 2.364 6.336 -7.861 141 HH TYR 19 HH TYR 19 0.454 3.399 -8.548 142 H CYS 20 H CYS 20 -4.187 11.013 -8.060 143 HA CYS 20 HA CYS 20 -2.796 13.597 -8.551 144 HB2 CYS 20 1HB CYS 20 -5.553 12.691 -9.430 145 HB3 CYS 20 2HB CYS 20 -4.657 14.116 -10.001 146 H ASN 21 H ASN 21 -3.318 15.391 -7.391 147 HA ASN 21 HA ASN 21 -4.801 14.977 -4.930 148 HB2 ASN 21 1HB ASN 21 -2.769 16.478 -5.097 149 HB3 ASN 21 2HB ASN 21 -3.744 17.622 -6.033 150 HD21 ASN 21 2HD2 ASN 21 -4.368 19.266 -4.782 151 HD22 ASN 21 1HD2 ASN 21 -4.944 19.107 -3.142 152 HXT ASN 21 H02 ASN 21 -6.510 14.363 -5.965 153 H1 PHE 1 3H0 PHE 1 -8.811 3.357 -22.200 154 H2 PHE 1 2H0 PHE 1 -8.299 2.270 -23.332 155 H3 PHE 1 1H0 PHE 1 -9.196 1.759 -22.047 156 HA PHE 1 HA PHE 1 -6.468 2.866 -21.917 157 HB2 PHE 1 1HB PHE 1 -8.082 3.373 -19.994 158 HB3 PHE 1 2HB PHE 1 -8.119 1.634 -19.682 159 HD1 PHE 1 HD1 PHE 1 -5.980 4.677 -19.688 160 HD2 PHE 1 HD2 PHE 1 -6.255 0.517 -18.596 161 HE1 PHE 1 HE1 PHE 1 -3.907 4.900 -18.334 162 HE2 PHE 1 HE2 PHE 1 -4.178 0.737 -17.237 163 HZ PHE 1 HZ PHE 1 -2.996 2.925 -17.120 164 H VAL 2 H VAL 2 -4.806 1.256 -21.526 165 HA VAL 2 HA VAL 2 -5.732 -1.534 -22.123 166 HB VAL 2 HB VAL 2 -3.085 -0.196 -22.897 167 HG11 VAL 2 1HG1 VAL 2 -2.698 -2.298 -24.201 168 HG12 VAL 2 2HG1 VAL 2 -2.778 -2.598 -22.454 169 HG13 VAL 2 3HG1 VAL 2 -4.173 -2.993 -23.490 170 HG21 VAL 2 3HG2 VAL 2 -3.911 -0.487 -25.248 171 HG22 VAL 2 1HG2 VAL 2 -5.489 -0.997 -24.602 172 HG23 VAL 2 2HG2 VAL 2 -4.889 0.655 -24.312 173 H ASN 3 H ASN 3 -5.186 -3.045 -20.638 174 HA ASN 3 HA ASN 3 -3.949 -2.232 -18.163 175 HB2 ASN 3 1HB ASN 3 -3.773 -4.788 -17.840 176 HB3 ASN 3 2HB ASN 3 -5.401 -4.070 -17.908 177 HD21 ASN 3 2HD2 ASN 3 -3.564 -6.599 -18.978 178 HD22 ASN 3 1HD2 ASN 3 -4.477 -7.021 -20.404 179 H GLN 4 H GLN 4 -1.908 -2.142 -17.593 180 HA GLN 4 HA GLN 4 -0.045 -4.162 -18.481 181 HB2 GLN 4 1HB GLN 4 1.654 -2.588 -19.324 182 HB3 GLN 4 2HB GLN 4 0.222 -2.567 -20.357 183 HG2 GLN 4 1HG GLN 4 -0.533 -0.482 -19.235 184 HG3 GLN 4 2HG GLN 4 0.945 -0.499 -18.266 185 HE21 GLN 4 2HE2 GLN 4 -0.364 -0.194 -21.518 186 HE22 GLN 4 1HE2 GLN 4 1.015 0.641 -22.192 187 H HIS 5 H HIS 5 1.727 -4.131 -17.058 188 HA HIS 5 HA HIS 5 1.362 -2.844 -14.466 189 HB2 HIS 5 1HB HIS 5 3.841 -4.092 -15.735 190 HB3 HIS 5 2HB HIS 5 3.638 -3.682 -14.034 191 HD1 HIS 5 HD1 HIS 5 0.990 -4.877 -13.289 192 HD2 HIS 5 HD2 HIS 5 3.653 -6.806 -15.795 193 HE1 HIS 5 HE1 HIS 5 0.407 -7.375 -13.229 194 HE2 HIS 5 HE2 HIS 5 2.059 -8.522 -14.748 195 H LEU 6 H LEU 6 2.417 -0.930 -13.724 196 HA LEU 6 HA LEU 6 3.775 0.651 -15.888 197 HB2 LEU 6 1HB LEU 6 1.788 1.569 -13.795 198 HB3 LEU 6 2HB LEU 6 2.743 2.646 -14.796 199 HG LEU 6 HG LEU 6 0.654 0.720 -15.847 200 HD11 LEU 6 1HD1 LEU 6 -0.717 2.693 -16.161 201 HD12 LEU 6 2HD1 LEU 6 0.583 3.739 -15.542 202 HD13 LEU 6 3HD1 LEU 6 -0.228 2.597 -14.462 203 HD21 LEU 6 3HD2 LEU 6 2.178 2.963 -17.224 204 HD22 LEU 6 1HD2 LEU 6 0.860 2.015 -17.935 205 HD23 LEU 6 2HD2 LEU 6 2.389 1.220 -17.520 206 H CYS 7 H CYS 7 5.858 0.731 -15.340 207 HA CYS 7 HA CYS 7 6.507 1.446 -12.505 208 HB2 CYS 7 1HB CYS 7 8.198 -0.127 -14.480 209 HB3 CYS 7 2HB CYS 7 8.597 0.206 -12.791 210 H GLY 8 H GLY 8 8.202 2.969 -12.213 211 HA2 GLY 8 1HA GLY 8 9.521 4.776 -12.780 212 HA3 GLY 8 2HA GLY 8 9.905 3.873 -14.253 213 H SER 9 H SER 9 9.838 5.338 -15.825 214 HA SER 9 HA SER 9 8.176 7.605 -15.926 215 HB2 SER 9 1HB SER 9 10.198 7.343 -17.273 216 HB3 SER 9 2HB SER 9 9.438 6.030 -18.200 217 HG SER 9 HG SER 9 8.056 7.461 -19.120 218 H HIS 10 H HIS 10 7.420 4.266 -16.973 219 HA HIS 10 HA HIS 10 5.254 4.968 -18.703 220 HB2 HIS 10 1HB HIS 10 6.030 2.518 -17.164 221 HB3 HIS 10 2HB HIS 10 4.363 2.639 -17.710 222 HD1 HIS 10 HD1 HIS 10 4.030 1.353 -19.839 223 HD2 HIS 10 HD2 HIS 10 7.744 3.321 -19.692 224 HE1 HIS 10 HE1 HIS 10 5.202 0.913 -22.055 225 HE2 HIS 10 HE2 HIS 10 7.434 2.103 -21.952 226 H LEU 11 H LEU 11 5.449 4.647 -15.172 227 HA LEU 11 HA LEU 11 2.607 4.792 -14.740 228 HB2 LEU 11 1HB LEU 11 4.332 3.947 -13.123 229 HB3 LEU 11 2HB LEU 11 4.908 5.596 -12.925 230 HG LEU 11 HG LEU 11 2.712 6.231 -11.949 231 HD11 LEU 11 1HD1 LEU 11 1.172 4.458 -11.225 232 HD12 LEU 11 2HD1 LEU 11 2.160 3.242 -12.072 233 HD13 LEU 11 3HD1 LEU 11 1.302 4.500 -12.988 234 HD21 LEU 11 3HD2 LEU 11 4.660 5.535 -10.596 235 HD22 LEU 11 1HD2 LEU 11 4.087 3.851 -10.641 236 HD23 LEU 11 2HD2 LEU 11 3.129 5.102 -9.821 237 H VAL 12 H VAL 12 5.244 7.194 -14.747 238 HA VAL 12 HA VAL 12 3.640 9.436 -14.025 239 HB VAL 12 HB VAL 12 6.204 9.354 -15.686 240 HG11 VAL 12 1HG1 VAL 12 5.063 11.535 -15.765 241 HG12 VAL 12 2HG1 VAL 12 5.056 11.585 -13.988 242 HG13 VAL 12 3HG1 VAL 12 6.596 11.622 -14.875 243 HG21 VAL 12 3HG2 VAL 12 7.352 9.752 -13.488 244 HG22 VAL 12 1HG2 VAL 12 5.798 9.466 -12.669 245 HG23 VAL 12 2HG2 VAL 12 6.578 8.163 -13.600 246 H GLU 13 H GLU 13 4.593 8.110 -17.209 247 HA GLU 13 HA GLU 13 3.421 10.195 -18.784 248 HB2 GLU 13 1HB GLU 13 4.022 7.270 -19.335 249 HB3 GLU 13 2HB GLU 13 3.420 8.377 -20.576 250 HG2 GLU 13 1HG GLU 13 5.393 9.702 -20.509 251 HG3 GLU 13 2HG GLU 13 5.944 8.958 -19.004 252 HE2 GLU 13 HE2 GLU 13 5.928 8.873 -22.209 253 H ALA 14 H ALA 14 2.096 7.242 -17.324 254 HA ALA 14 HA ALA 14 -0.383 7.366 -18.817 255 HB1 ALA 14 3HB ALA 14 -1.130 5.653 -17.265 256 HB2 ALA 14 1HB ALA 14 0.529 5.294 -17.793 257 HB3 ALA 14 2HB ALA 14 0.240 5.993 -16.182 258 H LEU 15 H LEU 15 0.791 8.655 -15.722 259 HA LEU 15 HA LEU 15 -1.769 9.434 -14.721 260 HB2 LEU 15 1HB LEU 15 1.056 10.389 -14.201 261 HB3 LEU 15 2HB LEU 15 -0.337 11.093 -13.385 262 HG LEU 15 HG LEU 15 0.317 8.147 -13.259 263 HD11 LEU 15 1HD1 LEU 15 2.125 9.517 -12.224 264 HD12 LEU 15 2HD1 LEU 15 1.242 8.487 -11.076 265 HD13 LEU 15 3HD1 LEU 15 0.901 10.228 -11.148 266 HD21 LEU 15 3HD2 LEU 15 -1.225 8.208 -11.386 267 HD22 LEU 15 1HD2 LEU 15 -2.003 8.728 -12.874 268 HD23 LEU 15 2HD2 LEU 15 -1.511 9.940 -11.680 269 H TYR 16 H TYR 16 0.512 11.033 -16.913 270 HA TYR 16 HA TYR 16 -0.781 13.593 -16.921 271 HB2 TYR 16 1HB TYR 16 0.898 12.090 -18.944 272 HB3 TYR 16 2HB TYR 16 0.110 13.610 -19.372 273 HD1 TYR 16 HD1 TYR 16 0.537 15.663 -17.802 274 HD2 TYR 16 HD2 TYR 16 3.048 12.170 -17.915 275 HE1 TYR 16 HE1 TYR 16 2.412 16.969 -16.795 276 HE2 TYR 16 HE2 TYR 16 4.924 13.496 -16.937 277 HH TYR 16 HH TYR 16 5.602 15.527 -16.130 278 H LEU 17 H LEU 17 -1.491 10.545 -18.630 279 HA LEU 17 HA LEU 17 -3.487 11.753 -20.336 280 HB2 LEU 17 1HB LEU 17 -3.183 8.880 -19.435 281 HB3 LEU 17 2HB LEU 17 -4.221 9.461 -20.720 282 HG LEU 17 HG LEU 17 -1.190 9.644 -20.756 283 HD11 LEU 17 1HD1 LEU 17 -1.965 7.300 -20.694 284 HD12 LEU 17 2HD1 LEU 17 -1.270 7.714 -22.275 285 HD13 LEU 17 3HD1 LEU 17 -3.038 7.616 -22.082 286 HD21 LEU 17 3HD2 LEU 17 -1.509 10.005 -23.192 287 HD22 LEU 17 1HD2 LEU 17 -2.253 11.292 -22.226 288 HD23 LEU 17 2HD2 LEU 17 -3.272 10.026 -22.949 289 H VAL 18 H VAL 18 -3.666 9.877 -17.294 290 HA VAL 18 HA VAL 18 -6.543 9.737 -17.354 291 HB VAL 18 HB VAL 18 -4.539 9.261 -15.091 292 HG11 VAL 18 1HG1 VAL 18 -6.364 7.965 -13.988 293 HG12 VAL 18 2HG1 VAL 18 -6.743 9.691 -14.098 294 HG13 VAL 18 3HG1 VAL 18 -7.507 8.546 -15.226 295 HG21 VAL 18 3HG2 VAL 18 -4.195 7.731 -16.908 296 HG22 VAL 18 1HG2 VAL 18 -5.073 6.857 -15.646 297 HG23 VAL 18 2HG2 VAL 18 -5.940 7.439 -17.079 298 H CYS 19 H CYS 19 -4.243 11.831 -15.602 299 HA CYS 19 HA CYS 19 -6.585 13.250 -14.476 300 HB2 CYS 19 1HB CYS 19 -3.644 13.350 -13.801 301 HB3 CYS 19 2HB CYS 19 -4.891 14.363 -13.031 302 H GLY 20 H GLY 20 -4.567 13.495 -17.200 303 HA2 GLY 20 1HA GLY 20 -4.560 15.146 -18.801 304 HA3 GLY 20 2HA GLY 20 -5.904 15.906 -17.939 305 H GLU 21 H GLU 21 -5.077 17.929 -18.489 306 HA GLU 21 HA GLU 21 -2.457 18.831 -17.758 307 HB2 GLU 21 1HB GLU 21 -5.030 20.348 -18.312 308 HB3 GLU 21 2HB GLU 21 -3.432 21.092 -18.169 309 HG2 GLU 21 1HG GLU 21 -2.639 19.758 -20.097 310 HG3 GLU 21 2HG GLU 21 -4.254 19.053 -20.265 311 HE2 GLU 21 HE2 GLU 21 -2.450 20.908 -21.643 312 H ARG 22 H ARG 22 -5.031 18.067 -15.702 313 HA ARG 22 HA ARG 22 -4.848 20.243 -13.806 314 HB2 ARG 22 1HB ARG 22 -5.695 17.348 -13.436 315 HB3 ARG 22 2HB ARG 22 -5.917 18.629 -12.242 316 HG2 ARG 22 1HG ARG 22 -7.403 19.842 -13.756 317 HG3 ARG 22 2HG ARG 22 -7.164 18.616 -15.017 318 HD2 ARG 22 1HD ARG 22 -8.294 18.023 -12.262 319 HD3 ARG 22 2HD ARG 22 -9.288 18.363 -13.695 320 HE ARG 22 HE ARG 22 -7.491 16.298 -14.396 321 HH11 ARG 22 1HH1 ARG 22 -10.198 16.714 -12.158 322 HH12 ARG 22 2HH1 ARG 22 -10.648 15.033 -12.246 323 HH21 ARG 22 1HH2 ARG 22 -8.150 14.180 -14.479 324 HH22 ARG 22 2HH2 ARG 22 -9.499 13.623 -13.531 325 H GLY 23 H GLY 23 -2.850 17.480 -14.496 326 HA2 GLY 23 1HA GLY 23 -0.694 17.147 -13.660 327 HA3 GLY 23 2HA GLY 23 -0.987 18.368 -12.411 328 H PHE 24 H PHE 24 0.306 16.428 -11.432 329 HA PHE 24 HA PHE 24 -1.438 14.956 -9.636 330 HB2 PHE 24 1HB PHE 24 -0.648 12.725 -10.359 331 HB3 PHE 24 2HB PHE 24 -1.616 13.508 -11.608 332 HD1 PHE 24 HD2 PHE 24 1.776 12.441 -10.669 333 HD2 PHE 24 HD1 PHE 24 -0.680 14.228 -13.698 334 HE1 PHE 24 HE2 PHE 24 3.593 12.112 -12.312 335 HE2 PHE 24 HE1 PHE 24 1.131 13.910 -15.355 336 HZ PHE 24 HZ PHE 24 3.274 12.852 -14.682 337 H PHE 25 H PHE 25 0.300 13.290 -8.488 338 HA PHE 25 HA PHE 25 2.979 14.588 -8.504 339 HB2 PHE 25 1HB PHE 25 3.117 14.374 -6.052 340 HB3 PHE 25 2HB PHE 25 1.854 15.507 -6.543 341 HD1 PHE 25 HD1 PHE 25 2.502 12.119 -5.156 342 HD2 PHE 25 HD2 PHE 25 -0.466 15.107 -6.040 343 HE1 PHE 25 HE1 PHE 25 0.841 10.871 -3.784 344 HE2 PHE 25 HE2 PHE 25 -2.135 13.862 -4.669 345 HZ PHE 25 HZ PHE 25 -1.486 11.738 -3.544 346 H TYR 26 H TYR 26 4.629 13.087 -7.598 347 HA TYR 26 HA TYR 26 3.842 10.227 -7.713 348 HB2 TYR 26 1HB TYR 26 4.440 10.690 -10.011 349 HB3 TYR 26 2HB TYR 26 5.874 11.599 -9.509 350 HD1 TYR 26 HD1 TYR 26 4.450 8.159 -8.803 351 HD2 TYR 26 HD2 TYR 26 7.898 10.511 -9.859 352 HE1 TYR 26 HE1 TYR 26 5.853 6.107 -8.837 353 HE2 TYR 26 HE2 TYR 26 9.278 8.439 -9.939 354 HH TYR 26 HH TYR 26 9.325 6.189 -9.688 355 H THR 27 H THR 27 5.070 8.978 -6.389 356 HA THR 27 HA THR 27 7.165 10.394 -4.817 357 HB THR 27 HB THR 27 6.583 8.505 -3.132 358 HG1 THR 27 HG1 THR 27 4.249 7.998 -3.467 359 HG21 THR 27 1HG2 THR 27 4.495 10.632 -3.779 360 HG22 THR 27 2HG2 THR 27 5.983 10.910 -2.843 361 HG23 THR 27 3HG2 THR 27 4.729 9.821 -2.213 362 HA PRO 28 HA PRO 28 9.475 7.109 -6.961 363 HB2 PRO 28 1HB PRO 28 11.932 8.299 -6.916 364 HB3 PRO 28 2HB PRO 28 10.677 8.761 -8.110 365 HG2 PRO 28 1HG PRO 28 11.373 10.078 -5.499 366 HG3 PRO 28 2HG PRO 28 11.194 10.816 -7.119 367 HD2 PRO 28 1HD PRO 28 9.202 10.857 -5.292 368 HD3 PRO 28 2HD PRO 28 8.862 10.675 -7.047 369 H LYS 29 H LYS 29 11.149 5.644 -6.150 370 HA LYS 29 HA LYS 29 11.167 5.552 -3.206 371 HB2 LYS 29 1HB LYS 29 12.439 3.386 -3.610 372 HB3 LYS 29 2HB LYS 29 10.761 3.434 -4.144 373 HG2 LYS 29 1HG LYS 29 11.304 3.358 -6.400 374 HG3 LYS 29 2HG LYS 29 12.909 4.066 -6.168 375 HD2 LYS 29 1HD LYS 29 12.498 1.449 -4.816 376 HD3 LYS 29 2HD LYS 29 12.426 1.400 -6.584 377 HE2 LYS 29 1HE LYS 29 14.712 0.979 -5.926 378 HE3 LYS 29 2HE LYS 29 14.638 2.572 -6.688 379 HZ1 LYS 29 3HZ LYS 29 16.012 2.571 -4.690 380 HZ2 LYS 29 1HZ LYS 29 14.735 2.103 -3.758 381 HZ3 LYS 29 2HZ LYS 29 14.723 3.583 -4.497 382 H THR 30 H THR 30 12.416 7.396 -2.770 383 HA THR 30 HA THR 30 15.079 7.670 -3.856 384 HB THR 30 HB THR 30 15.079 9.440 -1.847 385 HG1 THR 30 HG1 THR 30 12.919 9.894 -1.250 386 HG21 THR 30 1HG2 THR 30 13.147 9.538 -4.264 387 HG22 THR 30 2HG2 THR 30 14.846 10.062 -4.276 388 HG23 THR 30 3HG2 THR 30 13.653 10.954 -3.321 389 HXT THR 30 H02 THR 30 16.515 6.707 -3.335 Start of MODEL 22 1 H1 GLY 1 3H0 GLY 1 1.841 -0.661 0.273 2 H2 GLY 1 2H0 GLY 1 0.821 -1.272 -0.869 3 H3 GLY 1 1H0 GLY 1 2.386 -0.934 -1.260 4 HA2 GLY 1 1HA GLY 1 0.362 1.052 -0.476 5 HA3 GLY 1 2HA GLY 1 2.042 1.404 -0.926 6 H ILE 2 H ILE 2 0.211 2.746 -2.352 7 HA ILE 2 HA ILE 2 -0.983 1.342 -4.506 8 HB ILE 2 HB ILE 2 -1.632 3.598 -3.629 9 HG12 ILE 2 1HG1 ILE 2 -1.135 3.491 -6.620 10 HG13 ILE 2 2HG1 ILE 2 -2.411 2.610 -5.778 11 HG21 ILE 2 1HG2 ILE 2 0.656 4.717 -5.328 12 HG22 ILE 2 2HG2 ILE 2 -0.491 5.628 -4.330 13 HG23 ILE 2 3HG2 ILE 2 0.715 4.587 -3.553 14 HD11 ILE 2 3HD1 ILE 2 -3.391 4.562 -6.714 15 HD12 ILE 2 1HD1 ILE 2 -3.296 4.832 -4.962 16 HD13 ILE 2 2HD1 ILE 2 -2.126 5.620 -6.055 17 H VAL 3 H VAL 3 2.243 2.874 -4.312 18 HA VAL 3 HA VAL 3 2.721 2.624 -7.113 19 HB VAL 3 HB VAL 3 3.967 4.181 -5.657 20 HG11 VAL 3 1HG1 VAL 3 5.771 3.431 -4.209 21 HG12 VAL 3 2HG1 VAL 3 4.238 2.708 -3.682 22 HG13 VAL 3 3HG1 VAL 3 5.423 1.732 -4.591 23 HG21 VAL 3 3HG2 VAL 3 4.867 3.489 -7.865 24 HG22 VAL 3 1HG2 VAL 3 6.152 3.895 -6.705 25 HG23 VAL 3 2HG2 VAL 3 5.788 2.190 -7.075 26 H GLU 4 H GLU 4 3.126 0.322 -4.431 27 HA GLU 4 HA GLU 4 4.640 -1.556 -6.028 28 HB2 GLU 4 1HB GLU 4 2.907 -1.898 -3.552 29 HB3 GLU 4 2HB GLU 4 3.738 -3.237 -4.346 30 HG2 GLU 4 1HG GLU 4 5.183 -2.628 -2.611 31 HG3 GLU 4 2HG GLU 4 5.899 -1.909 -4.061 32 HE2 GLU 4 HE2 GLU 4 6.172 0.837 -2.110 33 H GLN 5 H GLN 5 1.155 -1.107 -5.293 34 HA GLN 5 HA GLN 5 0.214 -3.363 -6.733 35 HB2 GLN 5 1HB GLN 5 -1.008 -0.673 -6.068 36 HB3 GLN 5 2HB GLN 5 -1.891 -1.887 -6.993 37 HG2 GLN 5 1HG GLN 5 -0.748 -2.338 -4.217 38 HG3 GLN 5 2HG GLN 5 -2.432 -1.915 -4.574 39 HE21 GLN 5 2HE2 GLN 5 -0.727 -4.430 -3.613 40 HE22 GLN 5 1HE2 GLN 5 -1.533 -5.725 -4.462 41 H CYS 6 H CYS 6 0.959 -0.037 -7.851 42 HA CYS 6 HA CYS 6 -0.024 -0.644 -10.509 43 HB2 CYS 6 1HB CYS 6 1.379 1.645 -9.200 44 HB3 CYS 6 2HB CYS 6 1.454 1.517 -10.967 45 H CYS 7 H CYS 7 3.213 -0.740 -8.993 46 HA CYS 7 HA CYS 7 4.533 -1.044 -11.544 47 HB2 CYS 7 1HB CYS 7 5.432 -1.470 -8.690 48 HB3 CYS 7 2HB CYS 7 6.485 -1.757 -10.082 49 H THR 8 H THR 8 3.768 -3.389 -8.896 50 HA THR 8 HA THR 8 4.907 -5.519 -10.574 51 HB THR 8 HB THR 8 5.212 -5.262 -8.008 52 HG1 THR 8 HG1 THR 8 4.482 -7.715 -9.263 53 HG21 THR 8 1HG2 THR 8 3.628 -6.323 -6.581 54 HG22 THR 8 2HG2 THR 8 2.673 -6.933 -7.946 55 HG23 THR 8 3HG2 THR 8 2.677 -5.198 -7.568 56 H SER 9 H SER 9 1.758 -4.230 -9.972 57 HA SER 9 HA SER 9 0.598 -6.556 -11.420 58 HB2 SER 9 1HB SER 9 -1.431 -6.213 -9.771 59 HB3 SER 9 2HB SER 9 -0.026 -7.155 -9.240 60 HG SER 9 HG SER 9 -0.339 -4.376 -8.726 61 H ILE 10 H ILE 10 -2.032 -5.692 -11.572 62 HA ILE 10 HA ILE 10 -1.506 -3.914 -13.775 63 HB ILE 10 HB ILE 10 -4.070 -5.094 -12.668 64 HG12 ILE 10 1HG1 ILE 10 -2.418 -6.666 -13.670 65 HG13 ILE 10 2HG1 ILE 10 -3.962 -6.616 -14.519 66 HG21 ILE 10 1HG2 ILE 10 -3.688 -3.304 -15.098 67 HG22 ILE 10 2HG2 ILE 10 -5.093 -4.381 -14.888 68 HG23 ILE 10 3HG2 ILE 10 -4.798 -3.078 -13.726 69 HD11 ILE 10 3HD1 ILE 10 -2.987 -5.277 -16.322 70 HD12 ILE 10 1HD1 ILE 10 -1.438 -5.180 -15.452 71 HD13 ILE 10 2HD1 ILE 10 -2.021 -6.741 -16.062 72 H CYS 11 H CYS 11 -1.390 -1.850 -13.847 73 HA CYS 11 HA CYS 11 -2.553 -0.226 -11.662 74 HB2 CYS 11 1HB CYS 11 -0.160 -0.005 -12.527 75 HB3 CYS 11 2HB CYS 11 -0.844 0.618 -14.014 76 H SER 12 H SER 12 -4.755 -0.339 -12.190 77 HA SER 12 HA SER 12 -5.678 0.218 -14.906 78 HB2 SER 12 1HB SER 12 -7.915 0.106 -13.881 79 HB3 SER 12 2HB SER 12 -6.920 -1.274 -13.374 80 HG SER 12 HG SER 12 -7.737 -0.547 -11.510 81 H LEU 13 H LEU 13 -7.264 2.040 -15.285 82 HA LEU 13 HA LEU 13 -6.048 4.531 -14.744 83 HB2 LEU 13 1HB LEU 13 -7.912 5.535 -15.803 84 HB3 LEU 13 2HB LEU 13 -7.572 4.026 -16.631 85 HG LEU 13 HG LEU 13 -9.510 3.197 -14.888 86 HD11 LEU 13 1HD1 LEU 13 -10.177 6.074 -15.658 87 HD12 LEU 13 2HD1 LEU 13 -9.926 5.453 -14.007 88 HD13 LEU 13 3HD1 LEU 13 -11.317 4.902 -14.958 89 HD21 LEU 13 3HD2 LEU 13 -9.909 4.439 -17.632 90 HD22 LEU 13 1HD2 LEU 13 -11.042 3.338 -16.807 91 HD23 LEU 13 2HD2 LEU 13 -9.436 2.754 -17.286 92 H TYR 14 H TYR 14 -8.432 2.736 -12.892 93 HA TYR 14 HA TYR 14 -9.376 4.918 -11.311 94 HB2 TYR 14 1HB TYR 14 -9.149 2.027 -10.455 95 HB3 TYR 14 2HB TYR 14 -10.336 3.223 -9.929 96 HD1 TYR 14 HD2 TYR 14 -11.849 4.226 -11.919 97 HD2 TYR 14 HD1 TYR 14 -9.717 0.491 -12.108 98 HE1 TYR 14 HE2 TYR 14 -13.339 3.461 -13.773 99 HE2 TYR 14 HE1 TYR 14 -11.209 -0.260 -13.971 100 HH TYR 14 HH TYR 14 -13.019 0.251 -15.286 101 H GLN 15 H GLN 15 -6.664 2.647 -10.983 102 HA GLN 15 HA GLN 15 -5.891 3.525 -8.335 103 HB2 GLN 15 1HB GLN 15 -4.302 2.201 -10.571 104 HB3 GLN 15 2HB GLN 15 -3.704 2.453 -8.931 105 HG2 GLN 15 1HG GLN 15 -6.144 0.786 -9.650 106 HG3 GLN 15 2HG GLN 15 -4.521 0.147 -9.340 107 HE21 GLN 15 2HE2 GLN 15 -7.393 0.314 -7.954 108 HE22 GLN 15 1HE2 GLN 15 -6.946 0.515 -6.280 109 H LEU 16 H LEU 16 -5.053 4.413 -11.674 110 HA LEU 16 HA LEU 16 -2.969 6.237 -11.028 111 HB2 LEU 16 1HB LEU 16 -4.843 6.034 -13.389 112 HB3 LEU 16 2HB LEU 16 -3.531 7.207 -13.316 113 HG LEU 16 HG LEU 16 -3.065 4.226 -12.999 114 HD11 LEU 16 1HD1 LEU 16 -2.374 4.161 -15.333 115 HD12 LEU 16 2HD1 LEU 16 -2.869 5.857 -15.545 116 HD13 LEU 16 3HD1 LEU 16 -4.078 4.601 -15.193 117 HD21 LEU 16 3HD2 LEU 16 -0.774 4.813 -13.671 118 HD22 LEU 16 1HD2 LEU 16 -1.253 5.677 -12.202 119 HD23 LEU 16 2HD2 LEU 16 -1.231 6.524 -13.767 120 H GLU 17 H GLU 17 -6.511 6.752 -11.202 121 HA GLU 17 HA GLU 17 -6.475 9.591 -11.064 122 HB2 GLU 17 1HB GLU 17 -8.414 7.521 -9.989 123 HB3 GLU 17 2HB GLU 17 -8.710 9.256 -9.851 124 HG2 GLU 17 1HG GLU 17 -8.725 9.509 -12.254 125 HG3 GLU 17 2HG GLU 17 -8.273 7.818 -12.475 126 HE2 GLU 17 HE2 GLU 17 -11.985 8.818 -11.884 127 H ASN 18 H ASN 18 -5.920 7.208 -8.517 128 HA ASN 18 HA ASN 18 -6.397 8.998 -6.315 129 HB2 ASN 18 1HB ASN 18 -4.783 6.449 -6.505 130 HB3 ASN 18 2HB ASN 18 -5.092 7.308 -4.993 131 HD21 ASN 18 2HD2 ASN 18 -6.004 4.708 -6.591 132 HD22 ASN 18 1HD2 ASN 18 -7.696 4.640 -6.157 133 H TYR 19 H TYR 19 -3.616 8.543 -8.392 134 HA TYR 19 HA TYR 19 -1.622 9.685 -6.596 135 HB2 TYR 19 1HB TYR 19 -1.831 9.269 -9.565 136 HB3 TYR 19 2HB TYR 19 -0.418 10.004 -8.850 137 HD1 TYR 19 HD2 TYR 19 -2.336 6.846 -9.138 138 HD2 TYR 19 HD1 TYR 19 1.250 8.723 -7.703 139 HE1 TYR 19 HE2 TYR 19 -1.287 4.603 -8.826 140 HE2 TYR 19 HE1 TYR 19 2.289 6.484 -7.398 141 HH TYR 19 HH TYR 19 2.061 4.243 -7.684 142 H CYS 20 H CYS 20 -4.301 11.011 -8.174 143 HA CYS 20 HA CYS 20 -2.985 13.652 -8.599 144 HB2 CYS 20 1HB CYS 20 -5.652 12.701 -9.659 145 HB3 CYS 20 2HB CYS 20 -4.669 14.067 -10.230 146 H ASN 21 H ASN 21 -3.595 12.804 -6.008 147 HA ASN 21 HA ASN 21 -5.534 14.865 -5.196 148 HB2 ASN 21 1HB ASN 21 -6.856 12.701 -5.399 149 HB3 ASN 21 2HB ASN 21 -5.776 11.975 -4.203 150 HD21 ASN 21 2HD2 ASN 21 -7.609 11.671 -2.824 151 HD22 ASN 21 1HD2 ASN 21 -8.233 13.018 -1.907 152 HXT ASN 21 H02 ASN 21 -5.351 15.371 -3.236 153 H1 PHE 1 3H0 PHE 1 -9.271 3.330 -21.974 154 H2 PHE 1 2H0 PHE 1 -8.795 2.144 -23.017 155 H3 PHE 1 1H0 PHE 1 -9.545 1.745 -21.605 156 HA PHE 1 HA PHE 1 -6.885 2.994 -21.851 157 HB2 PHE 1 1HB PHE 1 -8.189 3.731 -19.863 158 HB3 PHE 1 2HB PHE 1 -8.415 2.039 -19.400 159 HD1 PHE 1 HD2 PHE 1 -5.928 4.774 -19.779 160 HD2 PHE 1 HD1 PHE 1 -6.649 0.788 -18.303 161 HE1 PHE 1 HE2 PHE 1 -3.772 4.844 -18.551 162 HE2 PHE 1 HE1 PHE 1 -4.490 0.859 -17.063 163 HZ PHE 1 HZ PHE 1 -3.037 2.881 -17.208 164 H VAL 2 H VAL 2 -5.164 1.539 -21.924 165 HA VAL 2 HA VAL 2 -5.946 -1.331 -21.981 166 HB VAL 2 HB VAL 2 -3.321 0.013 -22.808 167 HG11 VAL 2 1HG1 VAL 2 -4.319 -2.853 -23.195 168 HG12 VAL 2 2HG1 VAL 2 -2.826 -2.179 -23.886 169 HG13 VAL 2 3HG1 VAL 2 -2.990 -2.339 -22.128 170 HG21 VAL 2 3HG2 VAL 2 -5.650 -1.012 -24.497 171 HG22 VAL 2 1HG2 VAL 2 -5.122 0.680 -24.330 172 HG23 VAL 2 2HG2 VAL 2 -4.074 -0.498 -25.140 173 H ASN 3 H ASN 3 -5.818 -2.335 -20.076 174 HA ASN 3 HA ASN 3 -4.326 -1.340 -17.842 175 HB2 ASN 3 1HB ASN 3 -5.512 -4.045 -18.521 176 HB3 ASN 3 2HB ASN 3 -4.560 -3.769 -17.061 177 HD21 ASN 3 2HD2 ASN 3 -7.456 -4.442 -17.485 178 HD22 ASN 3 1HD2 ASN 3 -8.333 -3.207 -16.617 179 H GLN 4 H GLN 4 -2.281 -1.660 -17.225 180 HA GLN 4 HA GLN 4 -0.805 -3.995 -18.079 181 HB2 GLN 4 1HB GLN 4 1.014 -2.734 -19.167 182 HB3 GLN 4 2HB GLN 4 -0.500 -2.535 -20.056 183 HG2 GLN 4 1HG GLN 4 -0.790 -0.337 -18.746 184 HG3 GLN 4 2HG GLN 4 0.909 -0.535 -18.303 185 HE21 GLN 4 2HE2 GLN 4 -1.359 -0.134 -20.966 186 HE22 GLN 4 1HE2 GLN 4 -0.187 0.509 -22.100 187 H HIS 5 H HIS 5 1.132 -4.059 -16.886 188 HA HIS 5 HA HIS 5 1.101 -2.787 -14.264 189 HB2 HIS 5 1HB HIS 5 3.459 -4.109 -15.675 190 HB3 HIS 5 2HB HIS 5 3.249 -3.863 -13.938 191 HD1 HIS 5 HD1 HIS 5 0.534 -5.003 -13.364 192 HD2 HIS 5 HD2 HIS 5 3.166 -6.804 -16.014 193 HE1 HIS 5 HE1 HIS 5 -0.136 -7.475 -13.529 194 HE2 HIS 5 HE2 HIS 5 1.488 -8.541 -15.138 195 H LEU 6 H LEU 6 2.195 -0.888 -13.648 196 HA LEU 6 HA LEU 6 3.718 0.532 -15.807 197 HB2 LEU 6 1HB LEU 6 1.417 1.584 -14.140 198 HB3 LEU 6 2HB LEU 6 2.543 2.630 -14.984 199 HG LEU 6 HG LEU 6 0.811 0.594 -16.401 200 HD11 LEU 6 1HD1 LEU 6 0.337 3.525 -15.811 201 HD12 LEU 6 2HD1 LEU 6 -0.678 2.149 -15.348 202 HD13 LEU 6 3HD1 LEU 6 -0.550 2.606 -17.052 203 HD21 LEU 6 3HD2 LEU 6 1.322 2.024 -18.378 204 HD22 LEU 6 1HD2 LEU 6 2.775 1.288 -17.686 205 HD23 LEU 6 2HD2 LEU 6 2.403 3.004 -17.369 206 H CYS 7 H CYS 7 5.643 1.145 -15.076 207 HA CYS 7 HA CYS 7 5.854 2.171 -12.307 208 HB2 CYS 7 1HB CYS 7 6.456 -0.406 -12.648 209 HB3 CYS 7 2HB CYS 7 7.960 0.263 -13.292 210 H GLY 8 H GLY 8 8.000 3.296 -12.019 211 HA2 GLY 8 1HA GLY 8 9.584 4.809 -12.763 212 HA3 GLY 8 2HA GLY 8 9.722 3.800 -14.212 213 H SER 9 H SER 9 9.920 5.446 -15.696 214 HA SER 9 HA SER 9 8.316 7.775 -15.810 215 HB2 SER 9 1HB SER 9 9.047 7.115 -18.433 216 HB3 SER 9 2HB SER 9 9.983 8.099 -17.280 217 HG SER 9 HG SER 9 11.257 6.379 -17.969 218 H HIS 10 H HIS 10 7.630 4.476 -16.920 219 HA HIS 10 HA HIS 10 5.535 5.175 -18.767 220 HB2 HIS 10 1HB HIS 10 6.379 2.716 -17.294 221 HB3 HIS 10 2HB HIS 10 4.710 2.773 -17.853 222 HD1 HIS 10 HD1 HIS 10 4.246 2.357 -20.333 223 HD2 HIS 10 HD2 HIS 10 8.321 2.840 -19.453 224 HE1 HIS 10 HE1 HIS 10 5.539 1.757 -22.446 225 HE2 HIS 10 HE2 HIS 10 7.992 2.050 -21.897 226 H LEU 11 H LEU 11 5.606 4.724 -15.233 227 HA LEU 11 HA LEU 11 2.746 4.792 -14.902 228 HB2 LEU 11 1HB LEU 11 4.384 3.962 -13.201 229 HB3 LEU 11 2HB LEU 11 4.954 5.610 -12.976 230 HG LEU 11 HG LEU 11 2.713 6.255 -12.118 231 HD11 LEU 11 1HD1 LEU 11 1.352 4.551 -13.231 232 HD12 LEU 11 2HD1 LEU 11 1.129 4.487 -11.477 233 HD13 LEU 11 3HD1 LEU 11 2.151 3.275 -12.286 234 HD21 LEU 11 3HD2 LEU 11 4.018 3.891 -10.708 235 HD22 LEU 11 1HD2 LEU 11 2.940 5.095 -9.961 236 HD23 LEU 11 2HD2 LEU 11 4.516 5.597 -10.588 237 H VAL 12 H VAL 12 5.314 7.265 -14.836 238 HA VAL 12 HA VAL 12 3.638 9.452 -14.108 239 HB VAL 12 HB VAL 12 6.216 9.448 -15.755 240 HG11 VAL 12 1HG1 VAL 12 4.999 11.582 -15.909 241 HG12 VAL 12 2HG1 VAL 12 4.927 11.672 -14.138 242 HG13 VAL 12 3HG1 VAL 12 6.494 11.759 -14.970 243 HG21 VAL 12 3HG2 VAL 12 7.316 9.936 -13.557 244 HG22 VAL 12 1HG2 VAL 12 5.759 9.653 -12.749 245 HG23 VAL 12 2HG2 VAL 12 6.573 8.329 -13.610 246 H GLU 13 H GLU 13 4.599 8.150 -17.308 247 HA GLU 13 HA GLU 13 3.315 10.194 -18.853 248 HB2 GLU 13 1HB GLU 13 4.091 7.320 -19.397 249 HB3 GLU 13 2HB GLU 13 3.266 8.302 -20.613 250 HG2 GLU 13 1HG GLU 13 5.883 9.086 -19.295 251 HG3 GLU 13 2HG GLU 13 5.756 8.253 -20.849 252 HE2 GLU 13 HE2 GLU 13 6.142 10.982 -19.492 253 H ALA 14 H ALA 14 2.119 7.201 -17.372 254 HA ALA 14 HA ALA 14 -0.409 7.263 -18.770 255 HB1 ALA 14 3HB ALA 14 0.575 5.245 -17.715 256 HB2 ALA 14 1HB ALA 14 0.305 5.981 -16.117 257 HB3 ALA 14 2HB ALA 14 -1.081 5.585 -17.162 258 H LEU 15 H LEU 15 0.812 8.604 -15.705 259 HA LEU 15 HA LEU 15 -1.739 9.397 -14.690 260 HB2 LEU 15 1HB LEU 15 1.093 10.376 -14.216 261 HB3 LEU 15 2HB LEU 15 -0.291 11.080 -13.393 262 HG LEU 15 HG LEU 15 0.399 8.145 -13.214 263 HD11 LEU 15 1HD1 LEU 15 1.345 8.548 -11.046 264 HD12 LEU 15 2HD1 LEU 15 0.985 10.283 -11.157 265 HD13 LEU 15 3HD1 LEU 15 2.205 9.558 -12.229 266 HD21 LEU 15 3HD2 LEU 15 -1.419 9.947 -11.635 267 HD22 LEU 15 1HD2 LEU 15 -1.116 8.219 -11.326 268 HD23 LEU 15 2HD2 LEU 15 -1.925 8.718 -12.807 269 H TYR 16 H TYR 16 0.560 11.002 -16.878 270 HA TYR 16 HA TYR 16 -0.709 13.562 -16.918 271 HB2 TYR 16 1HB TYR 16 0.894 12.003 -18.962 272 HB3 TYR 16 2HB TYR 16 0.126 13.530 -19.390 273 HD1 TYR 16 HD1 TYR 16 0.622 15.581 -17.779 274 HD2 TYR 16 HD2 TYR 16 3.102 12.084 -18.107 275 HE1 TYR 16 HE1 TYR 16 2.560 16.861 -16.865 276 HE2 TYR 16 HE2 TYR 16 5.041 13.383 -17.219 277 HH TYR 16 HH TYR 16 4.775 16.806 -16.284 278 H LEU 17 H LEU 17 -1.451 10.526 -18.654 279 HA LEU 17 HA LEU 17 -3.463 11.760 -20.313 280 HB2 LEU 17 1HB LEU 17 -3.141 8.877 -19.449 281 HB3 LEU 17 2HB LEU 17 -4.211 9.471 -20.703 282 HG LEU 17 HG LEU 17 -1.185 9.673 -20.812 283 HD11 LEU 17 1HD1 LEU 17 -1.932 7.320 -20.723 284 HD12 LEU 17 2HD1 LEU 17 -1.282 7.735 -22.322 285 HD13 LEU 17 3HD1 LEU 17 -3.042 7.621 -22.085 286 HD21 LEU 17 3HD2 LEU 17 -1.565 10.029 -23.237 287 HD22 LEU 17 1HD2 LEU 17 -2.307 11.305 -22.256 288 HD23 LEU 17 2HD2 LEU 17 -3.323 10.023 -22.954 289 H VAL 18 H VAL 18 -3.657 9.808 -17.312 290 HA VAL 18 HA VAL 18 -6.528 9.652 -17.400 291 HB VAL 18 HB VAL 18 -4.556 9.201 -15.102 292 HG11 VAL 18 1HG1 VAL 18 -6.386 7.883 -14.031 293 HG12 VAL 18 2HG1 VAL 18 -6.780 9.606 -14.150 294 HG13 VAL 18 3HG1 VAL 18 -7.512 8.453 -15.292 295 HG21 VAL 18 3HG2 VAL 18 -5.886 7.364 -17.123 296 HG22 VAL 18 1HG2 VAL 18 -4.150 7.663 -16.884 297 HG23 VAL 18 2HG2 VAL 18 -5.072 6.785 -15.658 298 H CYS 19 H CYS 19 -4.254 11.783 -15.688 299 HA CYS 19 HA CYS 19 -6.596 13.152 -14.500 300 HB2 CYS 19 1HB CYS 19 -3.643 13.259 -13.866 301 HB3 CYS 19 2HB CYS 19 -4.902 14.191 -13.023 302 H GLY 20 H GLY 20 -4.501 13.533 -17.196 303 HA2 GLY 20 1HA GLY 20 -4.293 15.316 -18.633 304 HA3 GLY 20 2HA GLY 20 -5.859 15.844 -18.011 305 H GLU 21 H GLU 21 -5.572 17.961 -17.971 306 HA GLU 21 HA GLU 21 -3.164 19.251 -17.167 307 HB2 GLU 21 1HB GLU 21 -4.444 21.313 -17.414 308 HB3 GLU 21 2HB GLU 21 -4.706 20.199 -18.750 309 HG2 GLU 21 1HG GLU 21 -6.826 21.134 -18.310 310 HG3 GLU 21 2HG GLU 21 -6.893 19.504 -17.632 311 HE2 GLU 21 HE2 GLU 21 -6.609 22.556 -15.108 312 H ARG 22 H ARG 22 -5.455 17.852 -15.036 313 HA ARG 22 HA ARG 22 -5.393 20.011 -13.092 314 HB2 ARG 22 1HB ARG 22 -6.785 18.742 -11.815 315 HB3 ARG 22 2HB ARG 22 -7.101 18.038 -13.403 316 HG2 ARG 22 1HG ARG 22 -5.342 16.269 -12.784 317 HG3 ARG 22 2HG ARG 22 -5.430 16.920 -11.138 318 HD2 ARG 22 1HD ARG 22 -6.928 15.137 -11.147 319 HD3 ARG 22 2HD ARG 22 -7.948 16.584 -11.313 320 HE ARG 22 HE ARG 22 -7.284 15.681 -13.907 321 HH11 ARG 22 1HH1 ARG 22 -9.185 14.515 -11.166 322 HH12 ARG 22 2HH1 ARG 22 -10.247 13.575 -12.184 323 HH21 ARG 22 1HH2 ARG 22 -8.666 14.463 -15.134 324 HH22 ARG 22 2HH2 ARG 22 -9.952 13.549 -14.399 325 H GLY 23 H GLY 23 -3.150 17.603 -14.006 326 HA2 GLY 23 1HA GLY 23 -0.969 17.396 -13.206 327 HA3 GLY 23 2HA GLY 23 -1.378 18.416 -11.818 328 H PHE 24 H PHE 24 0.151 16.454 -11.155 329 HA PHE 24 HA PHE 24 -1.389 14.727 -9.420 330 HB2 PHE 24 1HB PHE 24 -0.601 12.599 -10.376 331 HB3 PHE 24 2HB PHE 24 -1.650 13.448 -11.512 332 HD1 PHE 24 HD2 PHE 24 1.824 12.461 -10.799 333 HD2 PHE 24 HD1 PHE 24 -0.852 14.285 -13.609 334 HE1 PHE 24 HE2 PHE 24 3.563 12.285 -12.536 335 HE2 PHE 24 HE1 PHE 24 0.883 14.120 -15.369 336 HZ PHE 24 HZ PHE 24 3.104 13.118 -14.852 337 H PHE 25 H PHE 25 0.474 13.107 -8.464 338 HA PHE 25 HA PHE 25 3.075 14.560 -8.592 339 HB2 PHE 25 1HB PHE 25 3.436 14.394 -6.256 340 HB3 PHE 25 2HB PHE 25 1.839 15.118 -6.467 341 HD1 PHE 25 HD2 PHE 25 -0.209 13.804 -5.928 342 HD2 PHE 25 HD1 PHE 25 3.734 12.214 -5.255 343 HE1 PHE 25 HE2 PHE 25 -1.176 12.043 -4.462 344 HE2 PHE 25 HE1 PHE 25 2.776 10.452 -3.780 345 HZ PHE 25 HZ PHE 25 0.313 10.360 -3.384 346 H TYR 26 H TYR 26 4.901 13.220 -7.862 347 HA TYR 26 HA TYR 26 4.496 10.288 -8.123 348 HB2 TYR 26 1HB TYR 26 4.986 11.069 -10.418 349 HB3 TYR 26 2HB TYR 26 6.388 11.972 -9.825 350 HD1 TYR 26 HD1 TYR 26 4.984 8.485 -10.010 351 HD2 TYR 26 HD2 TYR 26 8.521 10.925 -9.732 352 HE1 TYR 26 HE1 TYR 26 6.412 6.461 -10.239 353 HE2 TYR 26 HE2 TYR 26 9.942 8.889 -9.962 354 HH TYR 26 HH TYR 26 8.503 5.631 -10.390 355 H THR 27 H THR 27 6.475 9.188 -7.281 356 HA THR 27 HA THR 27 7.849 10.907 -5.274 357 HB THR 27 HB THR 27 8.367 8.637 -4.204 358 HG1 THR 27 HG1 THR 27 6.588 7.121 -4.870 359 HG21 THR 27 1HG2 THR 27 6.166 8.508 -3.141 360 HG22 THR 27 2HG2 THR 27 5.437 9.441 -4.470 361 HG23 THR 27 3HG2 THR 27 6.613 10.209 -3.377 362 HA PRO 28 HA PRO 28 11.266 9.853 -8.118 363 HB2 PRO 28 1HB PRO 28 12.779 12.070 -7.743 364 HB3 PRO 28 2HB PRO 28 11.318 12.111 -8.780 365 HG2 PRO 28 1HG PRO 28 11.610 12.912 -5.898 366 HG3 PRO 28 2HG PRO 28 10.912 13.844 -7.260 367 HD2 PRO 28 1HD PRO 28 9.363 12.432 -5.541 368 HD3 PRO 28 2HD PRO 28 8.960 12.559 -7.287 369 H LYS 29 H LYS 29 13.675 9.609 -7.575 370 HA LYS 29 HA LYS 29 13.879 8.818 -4.700 371 HB2 LYS 29 1HB LYS 29 15.047 7.730 -7.272 372 HB3 LYS 29 2HB LYS 29 15.856 7.443 -5.727 373 HG2 LYS 29 1HG LYS 29 14.462 5.527 -6.224 374 HG3 LYS 29 2HG LYS 29 13.775 6.387 -4.840 375 HD2 LYS 29 1HD LYS 29 12.123 7.461 -6.374 376 HD3 LYS 29 2HD LYS 29 12.773 6.513 -7.719 377 HE2 LYS 29 1HE LYS 29 12.051 4.461 -6.633 378 HE3 LYS 29 2HE LYS 29 11.574 5.371 -5.175 379 HZ1 LYS 29 3HZ LYS 29 9.645 5.008 -6.552 380 HZ2 LYS 29 1HZ LYS 29 10.378 5.676 -7.872 381 HZ3 LYS 29 2HZ LYS 29 10.001 6.624 -6.577 382 H THR 30 H THR 30 14.619 10.554 -3.730 383 HA THR 30 HA THR 30 17.131 11.803 -4.733 384 HB THR 30 HB THR 30 15.647 13.546 -5.180 385 HG1 THR 30 HG1 THR 30 15.908 14.000 -2.386 386 HG21 THR 30 1HG2 THR 30 13.685 14.146 -3.677 387 HG22 THR 30 2HG2 THR 30 13.989 12.683 -2.729 388 HG23 THR 30 3HG2 THR 30 13.505 12.565 -4.436 389 HXT THR 30 H02 THR 30 18.386 11.632 -1.663 Start of MODEL 23 1 H1 GLY 1 3H0 GLY 1 -0.069 -1.420 -0.993 2 H2 GLY 1 2H0 GLY 1 1.499 -1.674 -1.437 3 H3 GLY 1 1H0 GLY 1 1.148 -1.195 0.099 4 HA2 GLY 1 1HA GLY 1 0.366 0.929 -0.652 5 HA3 GLY 1 2HA GLY 1 2.034 0.640 -1.179 6 H ILE 2 H ILE 2 0.128 2.478 -2.431 7 HA ILE 2 HA ILE 2 -1.173 1.240 -4.629 8 HB ILE 2 HB ILE 2 -1.681 3.500 -3.641 9 HG12 ILE 2 1HG1 ILE 2 -1.268 3.501 -6.646 10 HG13 ILE 2 2HG1 ILE 2 -2.560 2.634 -5.817 11 HG21 ILE 2 1HG2 ILE 2 0.722 4.353 -3.604 12 HG22 ILE 2 2HG2 ILE 2 0.617 4.558 -5.369 13 HG23 ILE 2 3HG2 ILE 2 -0.448 5.489 -4.297 14 HD11 ILE 2 3HD1 ILE 2 -2.158 5.653 -5.901 15 HD12 ILE 2 1HD1 ILE 2 -3.447 4.708 -6.668 16 HD13 ILE 2 2HD1 ILE 2 -3.380 4.829 -4.897 17 H VAL 3 H VAL 3 2.129 2.598 -4.420 18 HA VAL 3 HA VAL 3 2.595 2.449 -7.230 19 HB VAL 3 HB VAL 3 3.910 3.867 -5.677 20 HG11 VAL 3 1HG1 VAL 3 5.694 2.937 -4.291 21 HG12 VAL 3 2HG1 VAL 3 4.122 2.295 -3.783 22 HG13 VAL 3 3HG1 VAL 3 5.233 1.284 -4.748 23 HG21 VAL 3 3HG2 VAL 3 6.086 3.542 -6.730 24 HG22 VAL 3 1HG2 VAL 3 5.638 1.887 -7.216 25 HG23 VAL 3 2HG2 VAL 3 4.789 3.286 -7.916 26 H GLU 4 H GLU 4 2.856 0.033 -4.656 27 HA GLU 4 HA GLU 4 4.356 -1.879 -6.188 28 HB2 GLU 4 1HB GLU 4 2.459 -2.082 -3.847 29 HB3 GLU 4 2HB GLU 4 3.105 -3.531 -4.618 30 HG2 GLU 4 1HG GLU 4 5.297 -3.053 -4.003 31 HG3 GLU 4 2HG GLU 4 4.938 -1.349 -3.667 32 HE2 GLU 4 HE2 GLU 4 4.886 -3.829 -0.785 33 H GLN 5 H GLN 5 0.858 -1.232 -5.784 34 HA GLN 5 HA GLN 5 -0.093 -3.461 -7.240 35 HB2 GLN 5 1HB GLN 5 -1.490 -1.853 -5.894 36 HB3 GLN 5 2HB GLN 5 -1.263 -0.655 -7.174 37 HG2 GLN 5 1HG GLN 5 -2.335 -2.289 -8.786 38 HG3 GLN 5 2HG GLN 5 -2.728 -3.310 -7.399 39 HE21 GLN 5 2HE2 GLN 5 -2.991 -0.392 -6.041 40 HE22 GLN 5 1HE2 GLN 5 -4.647 0.017 -6.441 41 H CYS 6 H CYS 6 0.852 -0.176 -8.375 42 HA CYS 6 HA CYS 6 0.125 -0.812 -11.095 43 HB2 CYS 6 1HB CYS 6 1.941 1.405 -10.101 44 HB3 CYS 6 2HB CYS 6 1.116 1.326 -11.657 45 H CYS 7 H CYS 7 3.096 -1.153 -9.217 46 HA CYS 7 HA CYS 7 4.792 -1.463 -11.537 47 HB2 CYS 7 1HB CYS 7 5.077 -2.151 -8.601 48 HB3 CYS 7 2HB CYS 7 6.304 -2.613 -9.783 49 H THR 8 H THR 8 3.372 -3.806 -9.186 50 HA THR 8 HA THR 8 4.460 -6.001 -10.795 51 HB THR 8 HB THR 8 4.514 -5.896 -8.254 52 HG1 THR 8 HG1 THR 8 3.461 -8.124 -9.679 53 HG21 THR 8 1HG2 THR 8 1.737 -7.073 -8.353 54 HG22 THR 8 2HG2 THR 8 1.967 -5.327 -8.136 55 HG23 THR 8 3HG2 THR 8 2.658 -6.459 -6.963 56 H SER 9 H SER 9 1.449 -4.333 -10.637 57 HA SER 9 HA SER 9 0.332 -6.373 -12.470 58 HB2 SER 9 1HB SER 9 -0.517 -6.795 -10.076 59 HB3 SER 9 2HB SER 9 -1.318 -5.211 -10.171 60 HG SER 9 HG SER 9 -2.615 -7.093 -10.803 61 H ILE 10 H ILE 10 -2.186 -5.064 -12.820 62 HA ILE 10 HA ILE 10 -1.141 -2.527 -14.030 63 HB ILE 10 HB ILE 10 -3.446 -4.322 -14.945 64 HG12 ILE 10 1HG1 ILE 10 -1.548 -3.791 -16.991 65 HG13 ILE 10 2HG1 ILE 10 -0.603 -4.189 -15.571 66 HG21 ILE 10 1HG2 ILE 10 -2.365 -1.716 -16.120 67 HG22 ILE 10 2HG2 ILE 10 -3.597 -2.766 -16.865 68 HG23 ILE 10 3HG2 ILE 10 -3.957 -1.933 -15.351 69 HD11 ILE 10 3HD1 ILE 10 -0.982 -6.174 -16.904 70 HD12 ILE 10 1HD1 ILE 10 -1.874 -6.329 -15.367 71 HD13 ILE 10 2HD1 ILE 10 -2.745 -5.908 -16.864 72 H CYS 11 H CYS 11 -1.721 -0.775 -12.993 73 HA CYS 11 HA CYS 11 -4.089 -0.678 -11.276 74 HB2 CYS 11 1HB CYS 11 -2.062 1.363 -12.253 75 HB3 CYS 11 2HB CYS 11 -3.511 1.839 -11.360 76 H SER 12 H SER 12 -6.091 -0.125 -11.913 77 HA SER 12 HA SER 12 -6.650 0.459 -14.716 78 HB2 SER 12 1HB SER 12 -8.978 0.678 -13.926 79 HB3 SER 12 2HB SER 12 -8.238 -0.799 -13.270 80 HG SER 12 HG SER 12 -9.159 0.142 -11.542 81 H LEU 13 H LEU 13 -7.921 2.526 -15.246 82 HA LEU 13 HA LEU 13 -6.361 4.782 -14.565 83 HB2 LEU 13 1HB LEU 13 -7.968 6.096 -15.741 84 HB3 LEU 13 2HB LEU 13 -7.731 4.582 -16.593 85 HG LEU 13 HG LEU 13 -9.952 3.968 -15.120 86 HD11 LEU 13 1HD1 LEU 13 -10.144 6.926 -15.844 87 HD12 LEU 13 2HD1 LEU 13 -10.166 6.239 -14.201 88 HD13 LEU 13 3HD1 LEU 13 -11.496 5.898 -15.319 89 HD21 LEU 13 3HD2 LEU 13 -9.616 3.600 -17.526 90 HD22 LEU 13 1HD2 LEU 13 -9.860 5.340 -17.834 91 HD23 LEU 13 2HD2 LEU 13 -11.196 4.346 -17.205 92 H TYR 14 H TYR 14 -9.252 3.449 -13.001 93 HA TYR 14 HA TYR 14 -9.877 5.728 -11.416 94 HB2 TYR 14 1HB TYR 14 -10.245 2.842 -10.599 95 HB3 TYR 14 2HB TYR 14 -11.236 4.234 -10.149 96 HD1 TYR 14 HD2 TYR 14 -12.394 5.492 -12.218 97 HD2 TYR 14 HD1 TYR 14 -10.940 1.439 -12.330 98 HE1 TYR 14 HE2 TYR 14 -13.869 5.008 -14.174 99 HE2 TYR 14 HE1 TYR 14 -12.407 0.973 -14.298 100 HH TYR 14 HH TYR 14 -14.005 1.797 -15.719 101 H GLN 15 H GLN 15 -7.659 2.993 -10.913 102 HA GLN 15 HA GLN 15 -6.965 3.714 -8.195 103 HB2 GLN 15 1HB GLN 15 -5.534 2.075 -10.316 104 HB3 GLN 15 2HB GLN 15 -4.981 2.225 -8.649 105 HG2 GLN 15 1HG GLN 15 -7.699 1.124 -9.444 106 HG3 GLN 15 2HG GLN 15 -6.266 0.137 -9.148 107 HE21 GLN 15 2HE2 GLN 15 -9.014 0.752 -7.756 108 HE22 GLN 15 1HE2 GLN 15 -8.549 0.885 -6.078 109 H LEU 16 H LEU 16 -5.691 4.419 -11.439 110 HA LEU 16 HA LEU 16 -3.374 5.828 -10.550 111 HB2 LEU 16 1HB LEU 16 -4.941 5.896 -13.125 112 HB3 LEU 16 2HB LEU 16 -3.469 6.837 -12.881 113 HG LEU 16 HG LEU 16 -3.602 3.817 -12.579 114 HD11 LEU 16 1HD1 LEU 16 -2.668 5.458 -14.955 115 HD12 LEU 16 2HD1 LEU 16 -4.138 4.454 -14.881 116 HD13 LEU 16 3HD1 LEU 16 -2.543 3.689 -14.779 117 HD21 LEU 16 3HD2 LEU 16 -1.262 5.755 -12.824 118 HD22 LEU 16 1HD2 LEU 16 -1.129 3.981 -12.832 119 HD23 LEU 16 2HD2 LEU 16 -1.715 4.815 -11.386 120 H GLU 17 H GLU 17 -6.729 6.943 -11.073 121 HA GLU 17 HA GLU 17 -6.258 9.736 -10.988 122 HB2 GLU 17 1HB GLU 17 -8.544 8.046 -9.933 123 HB3 GLU 17 2HB GLU 17 -8.555 9.805 -9.844 124 HG2 GLU 17 1HG GLU 17 -8.453 9.982 -12.261 125 HG3 GLU 17 2HG GLU 17 -8.329 8.230 -12.410 126 HE2 GLU 17 HE2 GLU 17 -11.795 9.885 -11.525 127 H ASN 18 H ASN 18 -6.172 7.373 -8.350 128 HA ASN 18 HA ASN 18 -6.439 9.235 -6.219 129 HB2 ASN 18 1HB ASN 18 -5.125 6.524 -6.356 130 HB3 ASN 18 2HB ASN 18 -5.232 7.464 -4.867 131 HD21 ASN 18 2HD2 ASN 18 -6.615 4.988 -6.371 132 HD22 ASN 18 1HD2 ASN 18 -8.265 5.177 -5.821 133 H TYR 19 H TYR 19 -3.665 8.550 -8.258 134 HA TYR 19 HA TYR 19 -1.619 9.491 -6.458 135 HB2 TYR 19 1HB TYR 19 -1.882 9.324 -9.454 136 HB3 TYR 19 2HB TYR 19 -0.456 10.029 -8.722 137 HD1 TYR 19 HD2 TYR 19 -2.402 6.852 -9.019 138 HD2 TYR 19 HD1 TYR 19 1.285 8.682 -7.780 139 HE1 TYR 19 HE2 TYR 19 -1.357 4.600 -8.816 140 HE2 TYR 19 HE1 TYR 19 2.323 6.417 -7.569 141 HH TYR 19 HH TYR 19 0.516 3.427 -8.310 142 H CYS 20 H CYS 20 -4.094 11.140 -8.334 143 HA CYS 20 HA CYS 20 -3.015 13.711 -7.314 144 HB2 CYS 20 1HB CYS 20 -3.824 14.775 -9.353 145 HB3 CYS 20 2HB CYS 20 -2.526 13.640 -9.679 146 H ASN 21 H ASN 21 -4.736 12.110 -5.927 147 HA ASN 21 HA ASN 21 -7.516 12.512 -6.443 148 HB2 ASN 21 1HB ASN 21 -6.510 10.794 -4.840 149 HB3 ASN 21 2HB ASN 21 -6.242 12.091 -3.687 150 HD21 ASN 21 2HD2 ASN 21 -8.287 9.624 -4.509 151 HD22 ASN 21 1HD2 ASN 21 -9.749 10.260 -3.804 152 HXT ASN 21 H02 ASN 21 -6.672 15.597 -4.233 153 H1 PHE 1 3H0 PHE 1 -9.170 3.060 -22.177 154 H2 PHE 1 2H0 PHE 1 -8.361 2.473 -23.491 155 H3 PHE 1 1H0 PHE 1 -9.084 1.432 -22.438 156 HA PHE 1 HA PHE 1 -6.789 3.180 -21.836 157 HB2 PHE 1 1HB PHE 1 -8.495 2.717 -19.982 158 HB3 PHE 1 2HB PHE 1 -8.021 1.018 -20.088 159 HD1 PHE 1 HD2 PHE 1 -6.706 4.468 -19.431 160 HD2 PHE 1 HD1 PHE 1 -6.088 0.228 -18.934 161 HE1 PHE 1 HE2 PHE 1 -4.793 4.927 -17.907 162 HE2 PHE 1 HE1 PHE 1 -4.176 0.687 -17.408 163 HZ PHE 1 HZ PHE 1 -3.515 3.037 -16.909 164 H VAL 2 H VAL 2 -4.759 1.918 -21.457 165 HA VAL 2 HA VAL 2 -4.808 -0.674 -22.967 166 HB VAL 2 HB VAL 2 -2.550 1.395 -22.809 167 HG11 VAL 2 1HG1 VAL 2 -1.676 -0.909 -22.947 168 HG12 VAL 2 2HG1 VAL 2 -2.735 -1.245 -24.339 169 HG13 VAL 2 3HG1 VAL 2 -1.417 -0.062 -24.484 170 HG21 VAL 2 3HG2 VAL 2 -2.949 1.661 -25.270 171 HG22 VAL 2 1HG2 VAL 2 -4.394 0.635 -25.122 172 HG23 VAL 2 2HG2 VAL 2 -4.318 2.205 -24.289 173 H ASN 3 H ASN 3 -4.241 -2.381 -21.702 174 HA ASN 3 HA ASN 3 -3.346 -1.829 -18.976 175 HB2 ASN 3 1HB ASN 3 -3.779 -4.431 -20.486 176 HB3 ASN 3 2HB ASN 3 -3.220 -4.336 -18.808 177 HD21 ASN 3 2HD2 ASN 3 -5.599 -5.638 -19.632 178 HD22 ASN 3 1HD2 ASN 3 -6.947 -4.773 -18.937 179 H GLN 4 H GLN 4 -1.355 -1.702 -18.294 180 HA GLN 4 HA GLN 4 0.696 -3.483 -19.303 181 HB2 GLN 4 1HB GLN 4 2.286 -1.538 -19.758 182 HB3 GLN 4 2HB GLN 4 1.049 -1.797 -20.994 183 HG2 GLN 4 1HG GLN 4 -0.293 0.025 -20.073 184 HG3 GLN 4 2HG GLN 4 0.894 0.279 -18.800 185 HE21 GLN 4 2HE2 GLN 4 -0.136 1.253 -21.808 186 HE22 GLN 4 1HE2 GLN 4 1.301 2.109 -22.313 187 H HIS 5 H HIS 5 2.331 -3.588 -17.767 188 HA HIS 5 HA HIS 5 1.701 -2.574 -15.104 189 HB2 HIS 5 1HB HIS 5 4.215 -3.923 -16.173 190 HB3 HIS 5 2HB HIS 5 3.856 -3.607 -14.470 191 HD1 HIS 5 HD1 HIS 5 1.074 -4.543 -14.066 192 HD2 HIS 5 HD2 HIS 5 3.695 -6.597 -16.529 193 HE1 HIS 5 HE1 HIS 5 0.153 -6.910 -14.334 194 HE2 HIS 5 HE2 HIS 5 1.801 -8.156 -15.789 195 H LEU 6 H LEU 6 2.691 -0.915 -13.974 196 HA LEU 6 HA LEU 6 4.299 0.987 -15.655 197 HB2 LEU 6 1HB LEU 6 2.033 1.590 -13.733 198 HB3 LEU 6 2HB LEU 6 2.943 2.773 -14.650 199 HG LEU 6 HG LEU 6 1.131 0.691 -15.888 200 HD11 LEU 6 1HD1 LEU 6 0.593 3.587 -15.166 201 HD12 LEU 6 2HD1 LEU 6 -0.144 2.148 -14.421 202 HD13 LEU 6 3HD1 LEU 6 -0.489 2.540 -16.115 203 HD21 LEU 6 3HD2 LEU 6 2.409 3.199 -17.011 204 HD22 LEU 6 1HD2 LEU 6 1.167 2.250 -17.836 205 HD23 LEU 6 2HD2 LEU 6 2.747 1.517 -17.501 206 H CYS 7 H CYS 7 6.294 0.902 -14.619 207 HA CYS 7 HA CYS 7 6.227 1.442 -11.675 208 HB2 CYS 7 1HB CYS 7 6.709 -0.990 -12.467 209 HB3 CYS 7 2HB CYS 7 8.300 -0.362 -12.910 210 H GLY 8 H GLY 8 7.652 2.227 -14.705 211 HA2 GLY 8 1HA GLY 8 9.757 3.842 -13.327 212 HA3 GLY 8 2HA GLY 8 9.897 3.192 -14.971 213 H SER 9 H SER 9 10.044 5.036 -16.167 214 HA SER 9 HA SER 9 8.616 7.451 -15.824 215 HB2 SER 9 1HB SER 9 9.052 7.666 -18.330 216 HB3 SER 9 2HB SER 9 10.483 7.339 -17.326 217 HG SER 9 HG SER 9 10.271 5.996 -19.242 218 H HIS 10 H HIS 10 7.610 4.385 -17.172 219 HA HIS 10 HA HIS 10 5.364 5.156 -18.686 220 HB2 HIS 10 1HB HIS 10 6.006 2.713 -17.017 221 HB3 HIS 10 2HB HIS 10 4.464 2.888 -17.842 222 HD1 HIS 10 HD1 HIS 10 4.329 1.794 -20.051 223 HD2 HIS 10 HD2 HIS 10 8.211 3.138 -19.156 224 HE1 HIS 10 HE1 HIS 10 5.799 1.145 -21.997 225 HE2 HIS 10 HE2 HIS 10 8.141 1.974 -21.473 226 H LEU 11 H LEU 11 5.673 4.847 -15.134 227 HA LEU 11 HA LEU 11 2.829 4.915 -14.687 228 HB2 LEU 11 1HB LEU 11 4.555 4.058 -13.100 229 HB3 LEU 11 2HB LEU 11 5.117 5.704 -12.848 230 HG LEU 11 HG LEU 11 3.078 6.305 -11.706 231 HD11 LEU 11 1HD1 LEU 11 1.301 4.650 -11.236 232 HD12 LEU 11 2HD1 LEU 11 2.089 3.496 -12.335 233 HD13 LEU 11 3HD1 LEU 11 1.410 5.021 -12.963 234 HD21 LEU 11 3HD2 LEU 11 4.888 5.086 -10.484 235 HD22 LEU 11 1HD2 LEU 11 4.024 3.559 -10.776 236 HD23 LEU 11 2HD2 LEU 11 3.281 4.829 -9.773 237 H VAL 12 H VAL 12 5.388 7.372 -14.842 238 HA VAL 12 HA VAL 12 3.723 9.598 -14.126 239 HB VAL 12 HB VAL 12 6.263 9.524 -15.835 240 HG11 VAL 12 1HG1 VAL 12 5.031 11.655 -16.006 241 HG12 VAL 12 2HG1 VAL 12 5.039 11.800 -14.234 242 HG13 VAL 12 3HG1 VAL 12 6.568 11.855 -15.142 243 HG21 VAL 12 3HG2 VAL 12 7.421 10.093 -13.677 244 HG22 VAL 12 1HG2 VAL 12 5.890 9.786 -12.825 245 HG23 VAL 12 2HG2 VAL 12 6.713 8.468 -13.694 246 H GLU 13 H GLU 13 4.676 8.110 -17.237 247 HA GLU 13 HA GLU 13 3.409 10.028 -18.934 248 HB2 GLU 13 1HB GLU 13 4.056 7.086 -19.288 249 HB3 GLU 13 2HB GLU 13 3.402 8.092 -20.586 250 HG2 GLU 13 1HG GLU 13 5.352 9.495 -20.599 251 HG3 GLU 13 2HG GLU 13 5.975 8.755 -19.125 252 HE2 GLU 13 HE2 GLU 13 6.135 8.833 -22.230 253 H ALA 14 H ALA 14 2.194 7.157 -17.245 254 HA ALA 14 HA ALA 14 -0.342 7.114 -18.631 255 HB1 ALA 14 3HB ALA 14 -1.013 5.573 -16.834 256 HB2 ALA 14 1HB ALA 14 0.601 5.152 -17.455 257 HB3 ALA 14 2HB ALA 14 0.441 6.007 -15.903 258 H LEU 15 H LEU 15 0.868 8.636 -15.634 259 HA LEU 15 HA LEU 15 -1.698 9.463 -14.701 260 HB2 LEU 15 1HB LEU 15 1.112 10.422 -14.165 261 HB3 LEU 15 2HB LEU 15 -0.291 11.174 -13.412 262 HG LEU 15 HG LEU 15 0.419 8.243 -13.103 263 HD11 LEU 15 1HD1 LEU 15 1.176 8.808 -10.868 264 HD12 LEU 15 2HD1 LEU 15 0.822 10.526 -11.150 265 HD13 LEU 15 3HD1 LEU 15 2.112 9.717 -12.071 266 HD21 LEU 15 3HD2 LEU 15 -1.590 9.998 -11.690 267 HD22 LEU 15 1HD2 LEU 15 -1.214 8.303 -11.298 268 HD23 LEU 15 2HD2 LEU 15 -1.959 8.697 -12.844 269 H TYR 16 H TYR 16 0.503 10.956 -17.046 270 HA TYR 16 HA TYR 16 -0.717 13.540 -17.120 271 HB2 TYR 16 1HB TYR 16 0.660 11.818 -19.196 272 HB3 TYR 16 2HB TYR 16 -0.146 13.312 -19.671 273 HD1 TYR 16 HD1 TYR 16 0.592 15.523 -18.669 274 HD2 TYR 16 HD2 TYR 16 2.857 11.900 -18.198 275 HE1 TYR 16 HE1 TYR 16 2.611 16.856 -18.055 276 HE2 TYR 16 HE2 TYR 16 4.877 13.244 -17.610 277 HH TYR 16 HH TYR 16 4.821 16.801 -17.458 278 H LEU 17 H LEU 17 -1.593 10.461 -18.700 279 HA LEU 17 HA LEU 17 -3.744 11.626 -20.229 280 HB2 LEU 17 1HB LEU 17 -3.312 8.760 -19.342 281 HB3 LEU 17 2HB LEU 17 -4.430 9.307 -20.578 282 HG LEU 17 HG LEU 17 -1.408 9.560 -20.769 283 HD11 LEU 17 1HD1 LEU 17 -3.280 7.483 -21.979 284 HD12 LEU 17 2HD1 LEU 17 -2.127 7.203 -20.650 285 HD13 LEU 17 3HD1 LEU 17 -1.529 7.617 -22.270 286 HD21 LEU 17 3HD2 LEU 17 -1.860 9.899 -23.185 287 HD22 LEU 17 1HD2 LEU 17 -2.586 11.175 -22.190 288 HD23 LEU 17 2HD2 LEU 17 -3.608 9.879 -22.853 289 H VAL 18 H VAL 18 -3.578 9.836 -17.152 290 HA VAL 18 HA VAL 18 -6.457 9.610 -16.961 291 HB VAL 18 HB VAL 18 -4.254 9.154 -14.896 292 HG11 VAL 18 1HG1 VAL 18 -6.351 9.515 -13.733 293 HG12 VAL 18 2HG1 VAL 18 -7.207 8.420 -14.845 294 HG13 VAL 18 3HG1 VAL 18 -5.984 7.788 -13.723 295 HG21 VAL 18 3HG2 VAL 18 -5.805 7.259 -16.706 296 HG22 VAL 18 1HG2 VAL 18 -4.087 7.681 -16.842 297 HG23 VAL 18 2HG2 VAL 18 -4.658 6.766 -15.443 298 H CYS 19 H CYS 19 -4.024 11.751 -15.428 299 HA CYS 19 HA CYS 19 -6.174 13.025 -13.891 300 HB2 CYS 19 1HB CYS 19 -3.569 12.729 -13.339 301 HB3 CYS 19 2HB CYS 19 -3.506 14.327 -14.112 302 H GLY 20 H GLY 20 -4.796 13.326 -17.043 303 HA2 GLY 20 1HA GLY 20 -5.436 14.725 -18.748 304 HA3 GLY 20 2HA GLY 20 -6.672 15.406 -17.681 305 H GLU 21 H GLU 21 -6.219 17.421 -18.678 306 HA GLU 21 HA GLU 21 -3.655 18.683 -18.592 307 HB2 GLU 21 1HB GLU 21 -6.460 19.822 -18.822 308 HB3 GLU 21 2HB GLU 21 -4.979 20.762 -19.047 309 HG2 GLU 21 1HG GLU 21 -4.329 19.277 -20.922 310 HG3 GLU 21 2HG GLU 21 -5.849 18.388 -20.733 311 HE2 GLU 21 HE2 GLU 21 -5.034 19.598 -22.897 312 H ARG 22 H ARG 22 -5.677 17.990 -15.977 313 HA ARG 22 HA ARG 22 -5.415 20.401 -14.427 314 HB2 ARG 22 1HB ARG 22 -5.692 17.508 -13.560 315 HB3 ARG 22 2HB ARG 22 -5.843 18.905 -12.490 316 HG2 ARG 22 1HG ARG 22 -7.781 19.703 -13.808 317 HG3 ARG 22 2HG ARG 22 -7.666 18.252 -14.830 318 HD2 ARG 22 1HD ARG 22 -8.039 18.233 -11.817 319 HD3 ARG 22 2HD ARG 22 -9.352 18.044 -13.000 320 HE ARG 22 HE ARG 22 -7.464 16.124 -13.707 321 HH11 ARG 22 1HH1 ARG 22 -9.282 16.794 -10.742 322 HH12 ARG 22 2HH1 ARG 22 -9.304 15.119 -10.268 323 HH21 ARG 22 1HH2 ARG 22 -7.573 14.013 -13.044 324 HH22 ARG 22 2HH2 ARG 22 -8.350 13.576 -11.548 325 H GLY 23 H GLY 23 -3.234 17.787 -15.191 326 HA2 GLY 23 1HA GLY 23 -0.939 17.682 -14.700 327 HA3 GLY 23 2HA GLY 23 -1.114 19.052 -13.577 328 H PHE 24 H PHE 24 0.357 17.073 -12.575 329 HA PHE 24 HA PHE 24 -1.239 15.957 -10.407 330 HB2 PHE 24 1HB PHE 24 -0.726 13.617 -10.886 331 HB3 PHE 24 2HB PHE 24 -1.669 14.293 -12.215 332 HD1 PHE 24 HD2 PHE 24 -0.572 14.845 -14.377 333 HD2 PHE 24 HD1 PHE 24 1.513 12.845 -11.207 334 HE1 PHE 24 HE2 PHE 24 1.199 14.170 -15.967 335 HE2 PHE 24 HE1 PHE 24 3.276 12.135 -12.794 336 HZ PHE 24 HZ PHE 24 3.124 12.807 -15.198 337 H PHE 25 H PHE 25 0.436 14.447 -9.135 338 HA PHE 25 HA PHE 25 3.213 15.402 -9.603 339 HB2 PHE 25 1HB PHE 25 3.587 15.671 -7.231 340 HB3 PHE 25 2HB PHE 25 2.223 16.694 -7.695 341 HD1 PHE 25 HD1 PHE 25 -0.092 16.095 -6.998 342 HD2 PHE 25 HD2 PHE 25 3.314 13.781 -5.739 343 HE1 PHE 25 HE1 PHE 25 -1.488 14.994 -5.255 344 HE2 PHE 25 HE2 PHE 25 1.926 12.678 -3.992 345 HZ PHE 25 HZ PHE 25 -0.483 13.278 -3.752 346 H TYR 26 H TYR 26 4.779 13.860 -8.647 347 HA TYR 26 HA TYR 26 3.729 11.196 -7.938 348 HB2 TYR 26 1HB TYR 26 3.820 11.022 -10.370 349 HB3 TYR 26 2HB TYR 26 5.434 11.749 -10.401 350 HD1 TYR 26 HD2 TYR 26 3.649 8.830 -8.792 351 HD2 TYR 26 HD1 TYR 26 7.281 10.322 -10.553 352 HE1 TYR 26 HE2 TYR 26 4.705 6.593 -8.524 353 HE2 TYR 26 HE1 TYR 26 8.314 8.068 -10.322 354 HH TYR 26 HH TYR 26 8.035 5.927 -9.675 355 H THR 27 H THR 27 5.197 10.148 -6.612 356 HA THR 27 HA THR 27 7.575 11.731 -5.829 357 HB THR 27 HB THR 27 7.654 10.038 -3.941 358 HG1 THR 27 HG1 THR 27 6.456 8.425 -5.119 359 HG21 THR 27 1HG2 THR 27 4.980 11.470 -4.263 360 HG22 THR 27 2HG2 THR 27 6.486 12.236 -3.697 361 HG23 THR 27 3HG2 THR 27 5.729 10.944 -2.741 362 HA PRO 28 HA PRO 28 9.519 8.589 -8.393 363 HB2 PRO 28 1HB PRO 28 11.973 9.707 -8.755 364 HB3 PRO 28 2HB PRO 28 10.523 10.307 -9.627 365 HG2 PRO 28 1HG PRO 28 11.778 11.350 -7.103 366 HG3 PRO 28 2HG PRO 28 11.337 12.245 -8.591 367 HD2 PRO 28 1HD PRO 28 9.714 12.188 -6.424 368 HD3 PRO 28 2HD PRO 28 9.050 12.168 -8.096 369 H LYS 29 H LYS 29 11.038 6.943 -7.989 370 HA LYS 29 HA LYS 29 11.880 6.699 -5.168 371 HB2 LYS 29 1HB LYS 29 12.101 4.845 -7.570 372 HB3 LYS 29 2HB LYS 29 12.636 4.426 -5.940 373 HG2 LYS 29 1HG LYS 29 10.429 4.387 -5.082 374 HG3 LYS 29 2HG LYS 29 9.764 5.261 -6.472 375 HD2 LYS 29 1HD LYS 29 11.015 2.512 -6.741 376 HD3 LYS 29 2HD LYS 29 9.294 2.755 -6.369 377 HE2 LYS 29 1HE LYS 29 9.026 4.100 -8.428 378 HE3 LYS 29 2HE LYS 29 10.738 3.849 -8.820 379 HZ1 LYS 29 3HZ LYS 29 10.317 1.505 -8.988 380 HZ2 LYS 29 1HZ LYS 29 9.292 2.322 -9.996 381 HZ3 LYS 29 2HZ LYS 29 8.733 1.699 -8.572 382 H THR 30 H THR 30 13.519 8.184 -4.924 383 HA THR 30 HA THR 30 15.687 8.355 -6.898 384 HB THR 30 HB THR 30 16.601 10.072 -5.259 385 HG1 THR 30 HG1 THR 30 15.051 10.615 -3.564 386 HG21 THR 30 1HG2 THR 30 14.842 11.751 -5.677 387 HG22 THR 30 2HG2 THR 30 13.619 10.496 -5.925 388 HG23 THR 30 3HG2 THR 30 14.930 10.709 -7.104 389 HXT THR 30 H02 THR 30 15.667 7.855 -3.635 Start of MODEL 24 1 H1 GLY 1 3H0 GLY 1 1.979 -0.396 0.274 2 H2 GLY 1 2H0 GLY 1 0.732 -0.615 -0.785 3 H3 GLY 1 1H0 GLY 1 2.282 -0.873 -1.276 4 HA2 GLY 1 1HA GLY 1 1.146 1.735 -0.485 5 HA3 GLY 1 2HA GLY 1 2.825 1.462 -0.992 6 H ILE 2 H ILE 2 0.633 3.175 -2.272 7 HA ILE 2 HA ILE 2 -0.589 1.788 -4.365 8 HB ILE 2 HB ILE 2 -1.197 4.055 -3.530 9 HG12 ILE 2 1HG1 ILE 2 -0.801 3.865 -6.529 10 HG13 ILE 2 2HG1 ILE 2 -2.061 3.029 -5.624 11 HG21 ILE 2 1HG2 ILE 2 -0.089 6.068 -4.309 12 HG22 ILE 2 2HG2 ILE 2 1.153 5.043 -3.573 13 HG23 ILE 2 3HG2 ILE 2 1.012 5.143 -5.348 14 HD11 ILE 2 3HD1 ILE 2 -2.959 5.009 -6.672 15 HD12 ILE 2 1HD1 ILE 2 -2.978 5.218 -4.907 16 HD13 ILE 2 2HD1 ILE 2 -1.741 6.036 -5.896 17 H VAL 3 H VAL 3 2.631 3.296 -4.418 18 HA VAL 3 HA VAL 3 3.050 3.000 -7.203 19 HB VAL 3 HB VAL 3 5.153 2.872 -4.998 20 HG11 VAL 3 1HG1 VAL 3 6.640 3.840 -6.746 21 HG12 VAL 3 2HG1 VAL 3 6.017 2.249 -7.226 22 HG13 VAL 3 3HG1 VAL 3 5.319 3.726 -7.927 23 HG21 VAL 3 3HG2 VAL 3 3.865 5.286 -6.355 24 HG22 VAL 3 1HG2 VAL 3 3.785 4.861 -4.627 25 HG23 VAL 3 2HG2 VAL 3 5.328 5.361 -5.349 26 H GLU 4 H GLU 4 3.677 0.782 -4.466 27 HA GLU 4 HA GLU 4 4.947 -1.219 -6.032 28 HB2 GLU 4 1HB GLU 4 5.027 -1.015 -3.539 29 HB3 GLU 4 2HB GLU 4 3.337 -1.523 -3.470 30 HG2 GLU 4 1HG GLU 4 4.707 -3.417 -2.982 31 HG3 GLU 4 2HG GLU 4 3.976 -3.661 -4.573 32 HE2 GLU 4 HE2 GLU 4 7.085 -4.508 -5.555 33 H GLN 5 H GLN 5 1.502 -0.640 -5.161 34 HA GLN 5 HA GLN 5 0.552 -3.132 -6.157 35 HB2 GLN 5 1HB GLN 5 -0.995 -0.525 -6.332 36 HB3 GLN 5 2HB GLN 5 -1.637 -2.161 -6.254 37 HG2 GLN 5 1HG GLN 5 -0.517 -0.447 -4.059 38 HG3 GLN 5 2HG GLN 5 -2.051 -1.298 -4.126 39 HE21 GLN 5 2HE2 GLN 5 -1.614 -3.847 -4.424 40 HE22 GLN 5 1HE2 GLN 5 -0.505 -4.481 -3.231 41 H CYS 6 H CYS 6 1.014 0.035 -7.773 42 HA CYS 6 HA CYS 6 0.041 -0.920 -10.327 43 HB2 CYS 6 1HB CYS 6 1.559 1.512 -9.370 44 HB3 CYS 6 2HB CYS 6 1.320 1.205 -11.098 45 H CYS 7 H CYS 7 3.202 -0.881 -8.755 46 HA CYS 7 HA CYS 7 4.726 -1.280 -11.148 47 HB2 CYS 7 1HB CYS 7 5.580 -0.472 -8.908 48 HB3 CYS 7 2HB CYS 7 5.414 -2.124 -8.309 49 H THR 8 H THR 8 3.565 -3.534 -8.593 50 HA THR 8 HA THR 8 4.597 -5.797 -10.147 51 HB THR 8 HB THR 8 4.766 -5.530 -7.595 52 HG1 THR 8 HG1 THR 8 4.548 -7.794 -7.363 53 HG21 THR 8 1HG2 THR 8 1.988 -6.751 -7.627 54 HG22 THR 8 2HG2 THR 8 2.271 -5.026 -7.302 55 HG23 THR 8 3HG2 THR 8 2.958 -6.258 -6.224 56 H SER 9 H SER 9 1.477 -4.237 -9.742 57 HA SER 9 HA SER 9 0.351 -6.428 -11.405 58 HB2 SER 9 1HB SER 9 -0.222 -6.728 -8.911 59 HB3 SER 9 2HB SER 9 -1.182 -5.240 -9.040 60 HG SER 9 HG SER 9 -2.249 -7.385 -9.427 61 H ILE 10 H ILE 10 -2.207 -5.560 -11.735 62 HA ILE 10 HA ILE 10 -1.506 -3.699 -13.811 63 HB ILE 10 HB ILE 10 -4.206 -4.815 -12.975 64 HG12 ILE 10 1HG1 ILE 10 -2.639 -6.548 -13.672 65 HG13 ILE 10 2HG1 ILE 10 -3.926 -6.348 -14.859 66 HG21 ILE 10 1HG2 ILE 10 -4.940 -4.145 -15.295 67 HG22 ILE 10 2HG2 ILE 10 -4.644 -2.782 -14.203 68 HG23 ILE 10 3HG2 ILE 10 -3.437 -3.200 -15.438 69 HD11 ILE 10 3HD1 ILE 10 -2.350 -5.031 -16.292 70 HD12 ILE 10 1HD1 ILE 10 -1.072 -5.333 -15.116 71 HD13 ILE 10 2HD1 ILE 10 -1.806 -6.687 -15.992 72 H CYS 11 H CYS 11 -1.422 -1.646 -13.862 73 HA CYS 11 HA CYS 11 -2.738 -0.063 -11.729 74 HB2 CYS 11 1HB CYS 11 -0.268 0.120 -12.506 75 HB3 CYS 11 2HB CYS 11 -0.922 0.938 -13.917 76 H SER 12 H SER 12 -4.883 -0.312 -12.476 77 HA SER 12 HA SER 12 -5.639 0.329 -15.214 78 HB2 SER 12 1HB SER 12 -7.932 0.138 -14.333 79 HB3 SER 12 2HB SER 12 -6.936 -1.223 -13.769 80 HG SER 12 HG SER 12 -7.923 -0.498 -11.966 81 H LEU 13 H LEU 13 -7.380 2.114 -15.534 82 HA LEU 13 HA LEU 13 -6.242 4.634 -14.925 83 HB2 LEU 13 1HB LEU 13 -8.172 5.601 -15.911 84 HB3 LEU 13 2HB LEU 13 -7.782 4.142 -16.807 85 HG LEU 13 HG LEU 13 -9.653 3.154 -15.081 86 HD11 LEU 13 1HD1 LEU 13 -10.457 6.034 -15.695 87 HD12 LEU 13 2HD1 LEU 13 -10.140 5.349 -14.082 88 HD13 LEU 13 3HD1 LEU 13 -11.528 4.781 -15.028 89 HD21 LEU 13 3HD2 LEU 13 -11.225 3.333 -16.968 90 HD22 LEU 13 1HD2 LEU 13 -9.605 2.840 -17.502 91 HD23 LEU 13 2HD2 LEU 13 -10.153 4.518 -17.749 92 H TYR 14 H TYR 14 -8.491 2.643 -13.096 93 HA TYR 14 HA TYR 14 -9.430 4.741 -11.363 94 HB2 TYR 14 1HB TYR 14 -9.220 1.787 -10.729 95 HB3 TYR 14 2HB TYR 14 -10.361 2.958 -10.058 96 HD1 TYR 14 HD1 TYR 14 -12.009 4.081 -11.812 97 HD2 TYR 14 HD2 TYR 14 -9.838 0.439 -12.539 98 HE1 TYR 14 HE1 TYR 14 -13.607 3.486 -13.639 99 HE2 TYR 14 HE2 TYR 14 -11.438 -0.144 -14.371 100 HH TYR 14 HH TYR 14 -13.352 0.454 -15.490 101 H GLN 15 H GLN 15 -6.735 2.416 -11.272 102 HA GLN 15 HA GLN 15 -5.867 3.068 -8.599 103 HB2 GLN 15 1HB GLN 15 -4.311 2.001 -10.988 104 HB3 GLN 15 2HB GLN 15 -3.720 2.034 -9.328 105 HG2 GLN 15 1HG GLN 15 -6.279 0.563 -9.988 106 HG3 GLN 15 2HG GLN 15 -4.707 -0.167 -10.334 107 HE21 GLN 15 2HE2 GLN 15 -4.528 -1.733 -8.865 108 HE22 GLN 15 1HE2 GLN 15 -4.639 -1.486 -7.138 109 H LEU 16 H LEU 16 -5.147 4.246 -11.871 110 HA LEU 16 HA LEU 16 -3.092 6.076 -11.109 111 HB2 LEU 16 1HB LEU 16 -4.935 5.908 -13.490 112 HB3 LEU 16 2HB LEU 16 -3.689 7.152 -13.345 113 HG LEU 16 HG LEU 16 -3.034 4.200 -13.118 114 HD11 LEU 16 1HD1 LEU 16 -4.115 4.572 -15.292 115 HD12 LEU 16 2HD1 LEU 16 -2.394 4.190 -15.450 116 HD13 LEU 16 3HD1 LEU 16 -2.948 5.870 -15.642 117 HD21 LEU 16 3HD2 LEU 16 -0.791 4.970 -13.786 118 HD22 LEU 16 1HD2 LEU 16 -1.329 5.773 -12.304 119 HD23 LEU 16 2HD2 LEU 16 -1.377 6.644 -13.853 120 H GLU 17 H GLU 17 -6.647 6.451 -11.293 121 HA GLU 17 HA GLU 17 -6.730 9.277 -10.931 122 HB2 GLU 17 1HB GLU 17 -8.591 7.011 -10.214 123 HB3 GLU 17 2HB GLU 17 -8.941 8.647 -9.661 124 HG2 GLU 17 1HG GLU 17 -8.422 8.111 -12.573 125 HG3 GLU 17 2HG GLU 17 -10.006 7.798 -11.857 126 HE2 GLU 17 HE2 GLU 17 -11.237 9.268 -11.805 127 H ASN 18 H ASN 18 -6.152 6.671 -8.602 128 HA ASN 18 HA ASN 18 -6.649 8.244 -6.263 129 HB2 ASN 18 1HB ASN 18 -4.951 5.773 -6.668 130 HB3 ASN 18 2HB ASN 18 -5.319 6.480 -5.094 131 HD21 ASN 18 2HD2 ASN 18 -5.999 3.862 -6.455 132 HD22 ASN 18 1HD2 ASN 18 -7.729 3.738 -6.254 133 H TYR 19 H TYR 19 -3.870 8.097 -8.410 134 HA TYR 19 HA TYR 19 -1.928 9.200 -6.534 135 HB2 TYR 19 1HB TYR 19 -2.128 9.080 -9.539 136 HB3 TYR 19 2HB TYR 19 -0.786 9.878 -8.753 137 HD1 TYR 19 HD2 TYR 19 -2.434 6.582 -9.256 138 HD2 TYR 19 HD1 TYR 19 1.045 8.640 -7.815 139 HE1 TYR 19 HE2 TYR 19 -1.206 4.422 -9.148 140 HE2 TYR 19 HE1 TYR 19 2.270 6.473 -7.710 141 HH TYR 19 HH TYR 19 2.207 4.227 -8.188 142 H CYS 20 H CYS 20 -4.513 10.487 -8.552 143 HA CYS 20 HA CYS 20 -3.499 13.208 -8.636 144 HB2 CYS 20 1HB CYS 20 -6.280 12.059 -9.079 145 HB3 CYS 20 2HB CYS 20 -5.824 13.733 -9.389 146 H ASN 21 H ASN 21 -3.853 14.849 -7.191 147 HA ASN 21 HA ASN 21 -5.903 14.532 -5.104 148 HB2 ASN 21 1HB ASN 21 -3.811 13.410 -4.201 149 HB3 ASN 21 2HB ASN 21 -2.994 14.976 -4.280 150 HD21 ASN 21 2HD2 ASN 21 -5.481 13.063 -2.745 151 HD22 ASN 21 1HD2 ASN 21 -5.764 14.159 -1.414 152 HXT ASN 21 H02 ASN 21 -4.243 17.981 -5.757 153 H1 PHE 1 3H0 PHE 1 -8.768 2.170 -23.253 154 H2 PHE 1 2H0 PHE 1 -9.680 1.755 -21.943 155 H3 PHE 1 1H0 PHE 1 -9.166 3.313 -22.131 156 HA PHE 1 HA PHE 1 -6.869 2.639 -21.882 157 HB2 PHE 1 1HB PHE 1 -8.481 3.249 -19.937 158 HB3 PHE 1 2HB PHE 1 -8.480 1.519 -19.570 159 HD1 PHE 1 HD2 PHE 1 -6.332 4.563 -19.847 160 HD2 PHE 1 HD1 PHE 1 -6.608 0.503 -18.431 161 HE1 PHE 1 HE2 PHE 1 -4.209 4.862 -18.581 162 HE2 PHE 1 HE1 PHE 1 -4.479 0.801 -17.166 163 HZ PHE 1 HZ PHE 1 -3.274 2.976 -17.253 164 H VAL 2 H VAL 2 -5.387 0.851 -21.151 165 HA VAL 2 HA VAL 2 -6.490 -1.857 -21.720 166 HB VAL 2 HB VAL 2 -5.375 -0.985 -23.804 167 HG11 VAL 2 1HG1 VAL 2 -3.699 0.505 -22.743 168 HG12 VAL 2 2HG1 VAL 2 -2.827 -0.920 -22.124 169 HG13 VAL 2 3HG1 VAL 2 -2.947 -0.636 -23.873 170 HG21 VAL 2 3HG2 VAL 2 -5.388 -3.417 -23.271 171 HG22 VAL 2 1HG2 VAL 2 -3.973 -2.930 -24.224 172 HG23 VAL 2 2HG2 VAL 2 -3.798 -3.237 -22.483 173 H ASN 3 H ASN 3 -5.468 -3.493 -20.465 174 HA ASN 3 HA ASN 3 -4.490 -2.532 -17.950 175 HB2 ASN 3 1HB ASN 3 -4.107 -4.808 -17.329 176 HB3 ASN 3 2HB ASN 3 -5.657 -4.749 -18.196 177 HD21 ASN 3 2HD2 ASN 3 -5.714 -5.666 -20.349 178 HD22 ASN 3 1HD2 ASN 3 -4.491 -6.809 -20.839 179 H GLN 4 H GLN 4 -2.506 -2.309 -17.130 180 HA GLN 4 HA GLN 4 -0.201 -3.510 -18.397 181 HB2 GLN 4 1HB GLN 4 0.962 -1.288 -18.746 182 HB3 GLN 4 2HB GLN 4 -0.308 -1.684 -19.905 183 HG2 GLN 4 1HG GLN 4 -1.867 -0.248 -18.464 184 HG3 GLN 4 2HG GLN 4 -0.411 0.345 -17.678 185 HE21 GLN 4 2HE2 GLN 4 -2.609 1.072 -19.926 186 HE22 GLN 4 1HE2 GLN 4 -1.635 2.033 -21.021 187 H HIS 5 H HIS 5 1.371 -3.781 -16.951 188 HA HIS 5 HA HIS 5 1.149 -2.723 -14.207 189 HB2 HIS 5 1HB HIS 5 3.511 -4.052 -15.620 190 HB3 HIS 5 2HB HIS 5 3.374 -3.734 -13.883 191 HD1 HIS 5 HD1 HIS 5 0.799 -4.841 -13.025 192 HD2 HIS 5 HD2 HIS 5 3.043 -6.716 -15.934 193 HE1 HIS 5 HE1 HIS 5 0.024 -7.284 -13.124 194 HE2 HIS 5 HE2 HIS 5 1.425 -8.397 -14.893 195 H LEU 6 H LEU 6 2.318 -0.920 -13.397 196 HA LEU 6 HA LEU 6 3.963 0.609 -15.380 197 HB2 LEU 6 1HB LEU 6 1.688 1.698 -13.695 198 HB3 LEU 6 2HB LEU 6 2.822 2.677 -14.600 199 HG LEU 6 HG LEU 6 0.825 0.770 -15.840 200 HD11 LEU 6 1HD1 LEU 6 -0.223 2.705 -14.704 201 HD12 LEU 6 2HD1 LEU 6 -0.393 2.799 -16.462 202 HD13 LEU 6 3HD1 LEU 6 0.816 3.800 -15.627 203 HD21 LEU 6 3HD2 LEU 6 1.371 1.946 -17.929 204 HD22 LEU 6 1HD2 LEU 6 2.802 1.146 -17.270 205 HD23 LEU 6 2HD2 LEU 6 2.585 2.906 -17.084 206 H CYS 7 H CYS 7 5.894 1.032 -14.431 207 HA CYS 7 HA CYS 7 5.882 1.496 -11.475 208 HB2 CYS 7 1HB CYS 7 6.596 -0.837 -12.303 209 HB3 CYS 7 2HB CYS 7 8.067 -0.048 -12.880 210 H GLY 8 H GLY 8 8.125 1.673 -14.294 211 HA2 GLY 8 1HA GLY 8 9.567 3.886 -13.044 212 HA3 GLY 8 2HA GLY 8 9.894 3.153 -14.622 213 H SER 9 H SER 9 10.075 5.054 -15.802 214 HA SER 9 HA SER 9 8.512 7.341 -15.682 215 HB2 SER 9 1HB SER 9 9.259 6.387 -18.394 216 HB3 SER 9 2HB SER 9 9.682 7.904 -17.554 217 HG SER 9 HG SER 9 11.543 6.715 -17.632 218 H HIS 10 H HIS 10 7.601 4.261 -17.076 219 HA HIS 10 HA HIS 10 5.474 5.045 -18.779 220 HB2 HIS 10 1HB HIS 10 6.208 2.622 -17.177 221 HB3 HIS 10 2HB HIS 10 4.553 2.740 -17.752 222 HD1 HIS 10 HD1 HIS 10 4.074 2.553 -20.304 223 HD2 HIS 10 HD2 HIS 10 8.112 2.188 -19.224 224 HE1 HIS 10 HE1 HIS 10 5.303 1.651 -22.342 225 HE2 HIS 10 HE2 HIS 10 7.741 1.443 -21.686 226 H LEU 11 H LEU 11 5.579 4.713 -15.225 227 HA LEU 11 HA LEU 11 2.725 4.833 -14.851 228 HB2 LEU 11 1HB LEU 11 4.358 3.939 -13.215 229 HB3 LEU 11 2HB LEU 11 5.046 5.541 -13.022 230 HG LEU 11 HG LEU 11 3.060 6.338 -11.897 231 HD11 LEU 11 1HD1 LEU 11 1.926 3.542 -12.271 232 HD12 LEU 11 2HD1 LEU 11 1.332 5.024 -13.061 233 HD13 LEU 11 3HD1 LEU 11 1.209 4.849 -11.304 234 HD21 LEU 11 3HD2 LEU 11 4.870 5.096 -10.681 235 HD22 LEU 11 1HD2 LEU 11 3.894 3.615 -10.815 236 HD23 LEU 11 2HD2 LEU 11 3.286 5.007 -9.889 237 H VAL 12 H VAL 12 5.337 7.242 -14.855 238 HA VAL 12 HA VAL 12 3.711 9.472 -14.115 239 HB VAL 12 HB VAL 12 6.297 9.391 -15.751 240 HG11 VAL 12 1HG1 VAL 12 5.132 11.559 -15.907 241 HG12 VAL 12 2HG1 VAL 12 5.064 11.654 -14.135 242 HG13 VAL 12 3HG1 VAL 12 6.632 11.696 -14.973 243 HG21 VAL 12 3HG2 VAL 12 5.828 9.587 -12.744 244 HG22 VAL 12 1HG2 VAL 12 6.632 8.263 -13.616 245 HG23 VAL 12 2HG2 VAL 12 7.396 9.862 -13.541 246 H GLU 13 H GLU 13 4.677 8.104 -17.283 247 HA GLU 13 HA GLU 13 3.476 10.165 -18.860 248 HB2 GLU 13 1HB GLU 13 4.135 7.266 -19.438 249 HB3 GLU 13 2HB GLU 13 3.483 8.373 -20.658 250 HG2 GLU 13 1HG GLU 13 6.084 8.766 -19.137 251 HG3 GLU 13 2HG GLU 13 5.934 8.198 -20.804 252 HE2 GLU 13 HE2 GLU 13 6.118 11.947 -20.114 253 H ALA 14 H ALA 14 2.153 7.251 -17.356 254 HA ALA 14 HA ALA 14 -0.331 7.359 -18.843 255 HB1 ALA 14 3HB ALA 14 -1.075 5.686 -17.242 256 HB2 ALA 14 1HB ALA 14 0.571 5.302 -17.799 257 HB3 ALA 14 2HB ALA 14 0.323 6.033 -16.194 258 H LEU 15 H LEU 15 0.887 8.694 -15.781 259 HA LEU 15 HA LEU 15 -1.666 9.481 -14.777 260 HB2 LEU 15 1HB LEU 15 1.170 10.341 -14.235 261 HB3 LEU 15 2HB LEU 15 -0.180 11.207 -13.509 262 HG LEU 15 HG LEU 15 0.275 8.236 -13.148 263 HD11 LEU 15 1HD1 LEU 15 2.122 9.556 -12.161 264 HD12 LEU 15 2HD1 LEU 15 1.124 8.742 -10.939 265 HD13 LEU 15 3HD1 LEU 15 0.927 10.484 -11.226 266 HD21 LEU 15 3HD2 LEU 15 -1.343 8.424 -11.388 267 HD22 LEU 15 1HD2 LEU 15 -2.059 9.034 -12.874 268 HD23 LEU 15 2HD2 LEU 15 -1.487 10.180 -11.645 269 H TYR 16 H TYR 16 0.528 11.056 -17.085 270 HA TYR 16 HA TYR 16 -0.706 13.637 -17.032 271 HB2 TYR 16 1HB TYR 16 0.640 12.053 -19.243 272 HB3 TYR 16 2HB TYR 16 -0.082 13.634 -19.541 273 HD1 TYR 16 HD1 TYR 16 0.774 15.673 -18.280 274 HD2 TYR 16 HD2 TYR 16 2.827 11.903 -18.260 275 HE1 TYR 16 HE1 TYR 16 2.866 16.809 -17.529 276 HE2 TYR 16 HE2 TYR 16 4.921 13.045 -17.531 277 HH TYR 16 HH TYR 16 5.066 16.552 -16.941 278 H LEU 17 H LEU 17 -1.597 10.614 -18.700 279 HA LEU 17 HA LEU 17 -3.713 11.844 -20.223 280 HB2 LEU 17 1HB LEU 17 -3.333 8.955 -19.388 281 HB3 LEU 17 2HB LEU 17 -4.445 9.544 -20.611 282 HG LEU 17 HG LEU 17 -1.418 9.757 -20.797 283 HD11 LEU 17 1HD1 LEU 17 -1.568 7.858 -22.351 284 HD12 LEU 17 2HD1 LEU 17 -3.320 7.741 -22.063 285 HD13 LEU 17 3HD1 LEU 17 -2.170 7.408 -20.743 286 HD21 LEU 17 3HD2 LEU 17 -3.612 10.165 -22.875 287 HD22 LEU 17 1HD2 LEU 17 -1.864 10.163 -23.205 288 HD23 LEU 17 2HD2 LEU 17 -2.566 11.425 -22.179 289 H VAL 18 H VAL 18 -3.643 9.987 -17.166 290 HA VAL 18 HA VAL 18 -6.551 9.923 -17.057 291 HB VAL 18 HB VAL 18 -4.484 9.166 -14.942 292 HG11 VAL 18 1HG1 VAL 18 -6.352 7.781 -14.009 293 HG12 VAL 18 2HG1 VAL 18 -6.675 9.522 -13.914 294 HG13 VAL 18 3HG1 VAL 18 -7.464 8.542 -15.173 295 HG21 VAL 18 3HG2 VAL 18 -5.105 6.822 -15.763 296 HG22 VAL 18 1HG2 VAL 18 -5.867 7.605 -17.160 297 HG23 VAL 18 2HG2 VAL 18 -4.121 7.795 -16.866 298 H CYS 19 H CYS 19 -3.986 11.793 -15.394 299 HA CYS 19 HA CYS 19 -6.005 13.157 -13.788 300 HB2 CYS 19 1HB CYS 19 -3.253 12.841 -13.594 301 HB3 CYS 19 2HB CYS 19 -3.459 14.547 -14.025 302 H GLY 20 H GLY 20 -4.586 13.483 -16.975 303 HA2 GLY 20 1HA GLY 20 -5.092 14.977 -18.644 304 HA3 GLY 20 2HA GLY 20 -6.503 15.467 -17.692 305 H GLU 21 H GLU 21 -6.303 17.619 -18.184 306 HA GLU 21 HA GLU 21 -3.885 19.120 -17.908 307 HB2 GLU 21 1HB GLU 21 -6.794 19.981 -17.961 308 HB3 GLU 21 2HB GLU 21 -5.415 21.086 -18.063 309 HG2 GLU 21 1HG GLU 21 -4.664 19.937 -20.132 310 HG3 GLU 21 2HG GLU 21 -6.090 18.890 -20.056 311 HE2 GLU 21 HE2 GLU 21 -6.808 21.573 -22.263 312 H ARG 22 H ARG 22 -5.790 17.820 -15.409 313 HA ARG 22 HA ARG 22 -5.732 20.016 -13.537 314 HB2 ARG 22 1HB ARG 22 -5.776 17.009 -13.112 315 HB3 ARG 22 2HB ARG 22 -5.956 18.197 -11.822 316 HG2 ARG 22 1HG ARG 22 -8.002 19.052 -12.818 317 HG3 ARG 22 2HG ARG 22 -7.840 17.940 -14.193 318 HD2 ARG 22 1HD ARG 22 -8.014 17.011 -11.308 319 HD3 ARG 22 2HD ARG 22 -9.435 17.207 -12.355 320 HE ARG 22 HE ARG 22 -7.623 15.618 -13.791 321 HH11 ARG 22 1HH1 ARG 22 -9.359 15.294 -10.720 322 HH12 ARG 22 2HH1 ARG 22 -9.452 13.557 -10.862 323 HH21 ARG 22 1HH2 ARG 22 -7.850 13.402 -13.908 324 HH22 ARG 22 2HH2 ARG 22 -8.599 12.510 -12.605 325 H GLY 23 H GLY 23 -3.343 17.696 -14.623 326 HA2 GLY 23 1HA GLY 23 -1.052 17.678 -14.143 327 HA3 GLY 23 2HA GLY 23 -1.294 18.979 -12.953 328 H PHE 24 H PHE 24 0.339 16.897 -12.220 329 HA PHE 24 HA PHE 24 -1.138 15.669 -10.011 330 HB2 PHE 24 1HB PHE 24 -0.570 13.374 -10.600 331 HB3 PHE 24 2HB PHE 24 -1.571 14.079 -11.870 332 HD1 PHE 24 HD1 PHE 24 -0.621 14.658 -14.063 333 HD2 PHE 24 HD2 PHE 24 1.742 12.784 -11.013 334 HE1 PHE 24 HE1 PHE 24 1.111 14.101 -15.746 335 HE2 PHE 24 HE2 PHE 24 3.469 12.199 -12.686 336 HZ PHE 24 HZ PHE 24 3.161 12.867 -15.078 337 H PHE 25 H PHE 25 0.593 14.153 -8.858 338 HA PHE 25 HA PHE 25 3.319 15.288 -9.229 339 HB2 PHE 25 1HB PHE 25 3.635 15.512 -6.872 340 HB3 PHE 25 2HB PHE 25 2.124 16.348 -7.244 341 HD1 PHE 25 HD2 PHE 25 -0.090 15.148 -6.741 342 HD2 PHE 25 HD1 PHE 25 3.718 13.698 -5.345 343 HE1 PHE 25 HE2 PHE 25 -1.252 13.711 -5.078 344 HE2 PHE 25 HE1 PHE 25 2.558 12.284 -3.653 345 HZ PHE 25 HZ PHE 25 0.066 12.279 -3.526 346 H TYR 26 H TYR 26 4.959 13.781 -8.277 347 HA TYR 26 HA TYR 26 4.035 11.051 -7.705 348 HB2 TYR 26 1HB TYR 26 4.213 11.075 -10.188 349 HB3 TYR 26 2HB TYR 26 5.874 11.674 -10.060 350 HD1 TYR 26 HD1 TYR 26 3.783 8.855 -8.635 351 HD2 TYR 26 HD2 TYR 26 7.566 10.059 -10.309 352 HE1 TYR 26 HE1 TYR 26 4.627 6.518 -8.435 353 HE2 TYR 26 HE2 TYR 26 8.383 7.704 -10.133 354 HH TYR 26 HH TYR 26 7.815 5.514 -9.621 355 H THR 27 H THR 27 5.803 9.838 -6.725 356 HA THR 27 HA THR 27 8.021 11.620 -5.795 357 HB THR 27 HB THR 27 8.108 10.182 -3.780 358 HG1 THR 27 HG1 THR 27 6.949 8.422 -4.981 359 HG21 THR 27 1HG2 THR 27 5.321 11.315 -4.256 360 HG22 THR 27 2HG2 THR 27 6.746 12.291 -3.819 361 HG23 THR 27 3HG2 THR 27 6.122 11.066 -2.689 362 HA PRO 28 HA PRO 28 9.956 8.172 -8.122 363 HB2 PRO 28 1HB PRO 28 11.962 9.581 -9.306 364 HB3 PRO 28 2HB PRO 28 10.289 9.607 -9.950 365 HG2 PRO 28 1HG PRO 28 11.660 11.590 -8.155 366 HG3 PRO 28 2HG PRO 28 10.730 11.882 -9.658 367 HD2 PRO 28 1HD PRO 28 9.638 12.160 -7.183 368 HD3 PRO 28 2HD PRO 28 8.678 11.568 -8.577 369 H LYS 29 H LYS 29 12.032 7.132 -7.745 370 HA LYS 29 HA LYS 29 13.682 8.296 -5.558 371 HB2 LYS 29 1HB LYS 29 12.412 5.525 -5.576 372 HB3 LYS 29 2HB LYS 29 13.695 6.033 -4.462 373 HG2 LYS 29 1HG LYS 29 12.269 7.727 -3.489 374 HG3 LYS 29 2HG LYS 29 11.006 7.415 -4.688 375 HD2 LYS 29 1HD LYS 29 10.707 5.141 -3.795 376 HD3 LYS 29 2HD LYS 29 11.963 5.463 -2.579 377 HE2 LYS 29 1HE LYS 29 9.718 5.806 -1.616 378 HE3 LYS 29 2HE LYS 29 10.627 7.330 -1.671 379 HZ1 LYS 29 3HZ LYS 29 8.525 6.504 -3.599 380 HZ2 LYS 29 1HZ LYS 29 9.411 7.887 -3.721 381 HZ3 LYS 29 2HZ LYS 29 8.380 7.678 -2.448 382 H THR 30 H THR 30 15.623 8.437 -6.439 383 HA THR 30 HA THR 30 16.422 6.604 -8.611 384 HB THR 30 HB THR 30 18.419 8.295 -8.631 385 HG1 THR 30 HG1 THR 30 17.640 10.334 -7.643 386 HG21 THR 30 1HG2 THR 30 16.493 8.377 -10.287 387 HG22 THR 30 2HG2 THR 30 17.068 9.993 -9.855 388 HG23 THR 30 3HG2 THR 30 15.570 9.372 -9.143 389 HXT THR 30 H02 THR 30 18.522 6.015 -5.429 Start of MODEL 25 1 H1 GLY 1 3H0 GLY 1 4.702 -0.801 -2.374 2 H2 GLY 1 2H0 GLY 1 4.802 -0.468 -0.762 3 H3 GLY 1 1H0 GLY 1 3.343 -0.830 -1.443 4 HA2 GLY 1 1HA GLY 1 3.508 1.542 -1.018 5 HA3 GLY 1 2HA GLY 1 4.961 1.575 -2.034 6 H ILE 2 H ILE 2 2.726 3.235 -2.660 7 HA ILE 2 HA ILE 2 0.864 1.922 -4.347 8 HB ILE 2 HB ILE 2 0.636 4.183 -3.216 9 HG12 ILE 2 1HG1 ILE 2 -0.142 3.999 -6.140 10 HG13 ILE 2 2HG1 ILE 2 -0.966 3.186 -4.817 11 HG21 ILE 2 1HG2 ILE 2 1.375 6.203 -4.361 12 HG22 ILE 2 2HG2 ILE 2 2.790 5.180 -4.073 13 HG23 ILE 2 3HG2 ILE 2 2.064 5.260 -5.697 14 HD11 ILE 2 3HD1 ILE 2 -2.230 5.164 -5.407 15 HD12 ILE 2 1HD1 ILE 2 -1.485 5.446 -3.816 16 HD13 ILE 2 2HD1 ILE 2 -0.790 6.198 -5.276 17 H VAL 3 H VAL 3 4.028 3.364 -5.235 18 HA VAL 3 HA VAL 3 3.583 3.107 -8.061 19 HB VAL 3 HB VAL 3 5.381 4.551 -7.384 20 HG11 VAL 3 1HG1 VAL 3 5.920 3.614 -5.177 21 HG12 VAL 3 2HG1 VAL 3 6.667 2.185 -5.941 22 HG13 VAL 3 3HG1 VAL 3 7.389 3.790 -6.146 23 HG21 VAL 3 3HG2 VAL 3 5.786 3.203 -9.469 24 HG22 VAL 3 1HG2 VAL 3 7.281 3.742 -8.670 25 HG23 VAL 3 2HG2 VAL 3 6.739 2.056 -8.506 26 H GLU 4 H GLU 4 4.782 0.903 -5.575 27 HA GLU 4 HA GLU 4 5.636 -1.202 -7.309 28 HB2 GLU 4 1HB GLU 4 6.183 -0.882 -4.870 29 HB3 GLU 4 2HB GLU 4 4.527 -1.346 -4.494 30 HG2 GLU 4 1HG GLU 4 4.949 -3.569 -5.526 31 HG3 GLU 4 2HG GLU 4 6.645 -3.098 -5.730 32 HE2 GLU 4 HE2 GLU 4 6.590 -5.020 -4.454 33 H GLN 5 H GLN 5 2.507 -0.332 -5.839 34 HA GLN 5 HA GLN 5 1.078 -2.701 -6.441 35 HB2 GLN 5 1HB GLN 5 0.390 -0.765 -4.975 36 HB3 GLN 5 2HB GLN 5 0.062 0.161 -6.437 37 HG2 GLN 5 1HG GLN 5 -1.654 -1.489 -7.092 38 HG3 GLN 5 2HG GLN 5 -1.362 -2.359 -5.574 39 HE21 GLN 5 2HE2 GLN 5 -3.827 -1.072 -6.488 40 HE22 GLN 5 1HE2 GLN 5 -4.210 0.158 -5.311 41 H CYS 6 H CYS 6 1.559 0.299 -8.364 42 HA CYS 6 HA CYS 6 0.016 -0.758 -10.599 43 HB2 CYS 6 1HB CYS 6 1.882 1.634 -10.475 44 HB3 CYS 6 2HB CYS 6 0.673 1.300 -11.723 45 H CYS 7 H CYS 7 3.210 -1.179 -9.522 46 HA CYS 7 HA CYS 7 4.345 -1.609 -12.191 47 HB2 CYS 7 1HB CYS 7 5.610 -0.644 -10.245 48 HB3 CYS 7 2HB CYS 7 5.507 -2.218 -9.452 49 H THR 8 H THR 8 3.342 -3.540 -9.317 50 HA THR 8 HA THR 8 4.070 -6.037 -10.656 51 HB THR 8 HB THR 8 4.320 -5.628 -8.153 52 HG1 THR 8 HG1 THR 8 3.561 -7.801 -7.698 53 HG21 THR 8 1HG2 THR 8 1.358 -6.296 -8.058 54 HG22 THR 8 2HG2 THR 8 1.993 -4.649 -7.844 55 HG23 THR 8 3HG2 THR 8 2.438 -5.929 -6.700 56 H SER 9 H SER 9 1.134 -4.132 -10.252 57 HA SER 9 HA SER 9 -0.217 -6.161 -11.943 58 HB2 SER 9 1HB SER 9 -0.946 -6.426 -9.508 59 HB3 SER 9 2HB SER 9 -1.599 -4.774 -9.594 60 HG SER 9 HG SER 9 -3.103 -6.552 -10.072 61 H ILE 10 H ILE 10 -2.526 -4.879 -12.583 62 HA ILE 10 HA ILE 10 -1.381 -2.391 -13.779 63 HB ILE 10 HB ILE 10 -3.844 -4.002 -14.639 64 HG12 ILE 10 1HG1 ILE 10 -2.052 -3.814 -16.762 65 HG13 ILE 10 2HG1 ILE 10 -0.981 -4.031 -15.392 66 HG21 ILE 10 1HG2 ILE 10 -2.513 -1.538 -15.882 67 HG22 ILE 10 2HG2 ILE 10 -3.847 -2.470 -16.600 68 HG23 ILE 10 3HG2 ILE 10 -4.114 -1.578 -15.103 69 HD11 ILE 10 3HD1 ILE 10 -2.276 -6.111 -14.789 70 HD12 ILE 10 1HD1 ILE 10 -3.213 -5.890 -16.286 71 HD13 ILE 10 2HD1 ILE 10 -1.458 -6.187 -16.369 72 H CYS 11 H CYS 11 -1.814 -0.592 -12.745 73 HA CYS 11 HA CYS 11 -4.220 -0.285 -11.103 74 HB2 CYS 11 1HB CYS 11 -2.034 1.607 -12.041 75 HB3 CYS 11 2HB CYS 11 -3.456 2.165 -11.153 76 H SER 12 H SER 12 -6.144 -0.005 -12.019 77 HA SER 12 HA SER 12 -6.476 0.704 -14.818 78 HB2 SER 12 1HB SER 12 -8.888 0.730 -14.211 79 HB3 SER 12 2HB SER 12 -8.085 -0.740 -13.617 80 HG SER 12 HG SER 12 -9.233 0.022 -11.914 81 H LEU 13 H LEU 13 -7.984 2.677 -15.317 82 HA LEU 13 HA LEU 13 -6.623 5.023 -14.568 83 HB2 LEU 13 1HB LEU 13 -8.347 6.239 -15.686 84 HB3 LEU 13 2HB LEU 13 -8.020 4.763 -16.580 85 HG LEU 13 HG LEU 13 -10.153 3.965 -15.057 86 HD11 LEU 13 1HD1 LEU 13 -10.493 6.227 -14.119 87 HD12 LEU 13 2HD1 LEU 13 -11.841 5.761 -15.169 88 HD13 LEU 13 3HD1 LEU 13 -10.612 6.898 -15.764 89 HD21 LEU 13 3HD2 LEU 13 -10.241 5.366 -17.755 90 HD22 LEU 13 1HD2 LEU 13 -11.478 4.266 -17.102 91 HD23 LEU 13 2HD2 LEU 13 -9.857 3.649 -17.476 92 H TYR 14 H TYR 14 -9.334 3.410 -12.969 93 HA TYR 14 HA TYR 14 -10.101 5.621 -11.311 94 HB2 TYR 14 1HB TYR 14 -10.338 2.672 -10.648 95 HB3 TYR 14 2HB TYR 14 -11.365 3.995 -10.084 96 HD1 TYR 14 HD1 TYR 14 -12.833 5.215 -11.844 97 HD2 TYR 14 HD2 TYR 14 -10.827 1.492 -12.647 98 HE1 TYR 14 HE1 TYR 14 -14.341 4.814 -13.794 99 HE2 TYR 14 HE2 TYR 14 -12.322 1.117 -14.613 100 HH TYR 14 HH TYR 14 -14.901 3.402 -15.513 101 H GLN 15 H GLN 15 -7.743 2.984 -10.958 102 HA GLN 15 HA GLN 15 -7.064 3.626 -8.203 103 HB2 GLN 15 1HB GLN 15 -5.618 2.074 -10.378 104 HB3 GLN 15 2HB GLN 15 -5.075 2.168 -8.704 105 HG2 GLN 15 1HG GLN 15 -7.768 1.048 -9.569 106 HG3 GLN 15 2HG GLN 15 -6.319 0.072 -9.284 107 HE21 GLN 15 2HE2 GLN 15 -9.130 0.836 -7.896 108 HE22 GLN 15 1HE2 GLN 15 -8.665 0.797 -6.214 109 H LEU 16 H LEU 16 -5.851 4.436 -11.440 110 HA LEU 16 HA LEU 16 -3.535 5.863 -10.545 111 HB2 LEU 16 1HB LEU 16 -5.124 5.924 -13.112 112 HB3 LEU 16 2HB LEU 16 -3.666 6.889 -12.871 113 HG LEU 16 HG LEU 16 -3.749 3.863 -12.610 114 HD11 LEU 16 1HD1 LEU 16 -4.282 4.520 -14.909 115 HD12 LEU 16 2HD1 LEU 16 -2.682 3.768 -14.804 116 HD13 LEU 16 3HD1 LEU 16 -2.820 5.537 -14.965 117 HD21 LEU 16 3HD2 LEU 16 -1.433 5.828 -12.823 118 HD22 LEU 16 1HD2 LEU 16 -1.280 4.056 -12.852 119 HD23 LEU 16 2HD2 LEU 16 -1.876 4.866 -11.395 120 H GLU 17 H GLU 17 -6.925 6.886 -10.949 121 HA GLU 17 HA GLU 17 -6.542 9.696 -10.856 122 HB2 GLU 17 1HB GLU 17 -8.708 7.837 -9.886 123 HB3 GLU 17 2HB GLU 17 -8.797 9.554 -9.513 124 HG2 GLU 17 1HG GLU 17 -8.489 8.536 -12.338 125 HG3 GLU 17 2HG GLU 17 -10.060 8.743 -11.563 126 HE2 GLU 17 HE2 GLU 17 -8.233 10.002 -13.557 127 H ASN 18 H ASN 18 -6.179 7.308 -8.271 128 HA ASN 18 HA ASN 18 -6.485 9.099 -6.081 129 HB2 ASN 18 1HB ASN 18 -4.851 6.557 -6.331 130 HB3 ASN 18 2HB ASN 18 -5.133 7.419 -4.815 131 HD21 ASN 18 2HD2 ASN 18 -6.002 4.731 -6.093 132 HD22 ASN 18 1HD2 ASN 18 -7.707 4.680 -5.713 133 H TYR 19 H TYR 19 -3.817 8.665 -8.311 134 HA TYR 19 HA TYR 19 -1.744 9.815 -6.638 135 HB2 TYR 19 1HB TYR 19 -2.125 9.403 -9.599 136 HB3 TYR 19 2HB TYR 19 -0.710 10.233 -8.988 137 HD1 TYR 19 HD2 TYR 19 -2.505 6.933 -8.887 138 HD2 TYR 19 HD1 TYR 19 1.160 9.062 -8.137 139 HE1 TYR 19 HE2 TYR 19 -1.295 4.765 -8.608 140 HE2 TYR 19 HE1 TYR 19 2.355 6.891 -7.872 141 HH TYR 19 HH TYR 19 0.726 3.748 -8.174 142 H CYS 20 H CYS 20 -4.439 11.153 -8.390 143 HA CYS 20 HA CYS 20 -3.405 13.892 -7.853 144 HB2 CYS 20 1HB CYS 20 -4.500 14.565 -10.015 145 HB3 CYS 20 2HB CYS 20 -3.032 13.613 -10.168 146 H ASN 21 H ASN 21 -5.032 12.316 -6.224 147 HA ASN 21 HA ASN 21 -7.834 13.013 -6.661 148 HB2 ASN 21 1HB ASN 21 -7.322 10.950 -5.452 149 HB3 ASN 21 2HB ASN 21 -6.400 11.832 -4.230 150 HD21 ASN 21 2HD2 ASN 21 -9.597 11.142 -5.517 151 HD22 ASN 21 1HD2 ASN 21 -10.469 11.753 -4.136 152 HXT ASN 21 H02 ASN 21 -6.426 15.575 -4.103 153 H1 PHE 1 3H0 PHE 1 -8.110 2.814 -23.619 154 H2 PHE 1 2H0 PHE 1 -7.549 4.361 -23.475 155 H3 PHE 1 1H0 PHE 1 -6.895 3.344 -24.597 156 HA PHE 1 HA PHE 1 -5.393 3.559 -22.748 157 HB2 PHE 1 1HB PHE 1 -7.430 4.020 -21.208 158 HB3 PHE 1 2HB PHE 1 -7.576 2.264 -21.086 159 HD1 PHE 1 HD2 PHE 1 -5.480 5.214 -20.266 160 HD2 PHE 1 HD1 PHE 1 -5.974 0.959 -19.772 161 HE1 PHE 1 HE2 PHE 1 -3.802 5.239 -18.426 162 HE2 PHE 1 HE1 PHE 1 -4.296 0.978 -17.931 163 HZ PHE 1 HZ PHE 1 -3.208 3.122 -17.255 164 H VAL 2 H VAL 2 -4.013 1.744 -22.277 165 HA VAL 2 HA VAL 2 -5.105 -0.909 -23.138 166 HB VAL 2 HB VAL 2 -2.312 0.221 -23.724 167 HG11 VAL 2 1HG1 VAL 2 -3.557 -2.481 -24.432 168 HG12 VAL 2 2HG1 VAL 2 -1.977 -1.897 -24.999 169 HG13 VAL 2 3HG1 VAL 2 -2.236 -2.203 -23.271 170 HG21 VAL 2 3HG2 VAL 2 -3.945 1.207 -25.253 171 HG22 VAL 2 1HG2 VAL 2 -2.991 -0.002 -26.128 172 HG23 VAL 2 2HG2 VAL 2 -4.644 -0.393 -25.599 173 H ASN 3 H ASN 3 -4.783 -2.434 -21.554 174 HA ASN 3 HA ASN 3 -3.595 -1.556 -19.062 175 HB2 ASN 3 1HB ASN 3 -4.502 -4.292 -20.025 176 HB3 ASN 3 2HB ASN 3 -3.815 -3.989 -18.419 177 HD21 ASN 3 2HD2 ASN 3 -6.512 -4.925 -19.204 178 HD22 ASN 3 1HD2 ASN 3 -7.622 -3.774 -18.498 179 H GLN 4 H GLN 4 -1.582 -1.625 -18.454 180 HA GLN 4 HA GLN 4 0.143 -3.846 -19.158 181 HB2 GLN 4 1HB GLN 4 1.971 -2.418 -20.047 182 HB3 GLN 4 2HB GLN 4 0.573 -2.409 -21.126 183 HG2 GLN 4 1HG GLN 4 -0.115 -0.203 -20.175 184 HG3 GLN 4 2HG GLN 4 1.346 -0.209 -19.180 185 HE21 GLN 4 2HE2 GLN 4 0.370 -0.627 -22.590 186 HE22 GLN 4 1HE2 GLN 4 1.691 0.310 -23.245 187 H HIS 5 H HIS 5 1.826 -3.864 -17.573 188 HA HIS 5 HA HIS 5 1.201 -2.484 -15.114 189 HB2 HIS 5 1HB HIS 5 3.723 -3.945 -15.992 190 HB3 HIS 5 2HB HIS 5 3.386 -3.382 -14.353 191 HD1 HIS 5 HD1 HIS 5 0.606 -4.274 -13.769 192 HD2 HIS 5 HD2 HIS 5 3.233 -6.647 -15.921 193 HE1 HIS 5 HE1 HIS 5 -0.291 -6.664 -13.691 194 HE2 HIS 5 HE2 HIS 5 1.364 -8.091 -14.946 195 H LEU 6 H LEU 6 2.188 -0.716 -14.152 196 HA LEU 6 HA LEU 6 3.781 1.000 -16.032 197 HB2 LEU 6 1HB LEU 6 1.733 1.692 -13.910 198 HB3 LEU 6 2HB LEU 6 2.831 2.846 -14.602 199 HG LEU 6 HG LEU 6 1.069 3.416 -15.783 200 HD11 LEU 6 1HD1 LEU 6 1.828 1.006 -17.454 201 HD12 LEU 6 2HD1 LEU 6 2.577 2.619 -17.526 202 HD13 LEU 6 3HD1 LEU 6 0.885 2.405 -18.001 203 HD21 LEU 6 3HD2 LEU 6 -0.837 1.951 -16.349 204 HD22 LEU 6 1HD2 LEU 6 -0.475 1.978 -14.613 205 HD23 LEU 6 2HD2 LEU 6 0.019 0.585 -15.600 206 H CYS 7 H CYS 7 5.828 1.063 -15.391 207 HA CYS 7 HA CYS 7 6.351 1.503 -12.490 208 HB2 CYS 7 1HB CYS 7 6.828 -0.897 -13.713 209 HB3 CYS 7 2HB CYS 7 8.355 -0.068 -14.030 210 H GLY 8 H GLY 8 8.244 2.797 -12.096 211 HA2 GLY 8 1HA GLY 8 9.720 4.506 -12.593 212 HA3 GLY 8 2HA GLY 8 10.008 3.670 -14.129 213 H SER 9 H SER 9 10.083 5.371 -15.507 214 HA SER 9 HA SER 9 8.415 7.647 -15.454 215 HB2 SER 9 1HB SER 9 9.201 7.006 -18.137 216 HB3 SER 9 2HB SER 9 9.908 8.200 -17.021 217 HG SER 9 HG SER 9 11.483 6.684 -17.551 218 H HIS 10 H HIS 10 7.733 4.416 -16.769 219 HA HIS 10 HA HIS 10 5.675 5.221 -18.601 220 HB2 HIS 10 1HB HIS 10 6.533 2.709 -17.305 221 HB3 HIS 10 2HB HIS 10 4.813 2.781 -17.677 222 HD1 HIS 10 HD1 HIS 10 4.130 2.215 -20.057 223 HD2 HIS 10 HD2 HIS 10 8.205 3.183 -19.713 224 HE1 HIS 10 HE1 HIS 10 5.186 1.797 -22.325 225 HE2 HIS 10 HE2 HIS 10 7.639 2.384 -22.106 226 H LEU 11 H LEU 11 5.696 4.852 -15.083 227 HA LEU 11 HA LEU 11 2.814 4.886 -14.814 228 HB2 LEU 11 1HB LEU 11 4.397 4.026 -13.103 229 HB3 LEU 11 2HB LEU 11 5.005 5.655 -12.859 230 HG LEU 11 HG LEU 11 2.909 6.368 -11.880 231 HD11 LEU 11 1HD1 LEU 11 1.095 4.760 -11.402 232 HD12 LEU 11 2HD1 LEU 11 1.921 3.537 -12.394 233 HD13 LEU 11 3HD1 LEU 11 1.289 5.028 -13.141 234 HD21 LEU 11 3HD2 LEU 11 4.663 5.199 -10.537 235 HD22 LEU 11 1HD2 LEU 11 3.774 3.672 -10.761 236 HD23 LEU 11 2HD2 LEU 11 3.031 5.020 -9.867 237 H VAL 12 H VAL 12 5.375 7.349 -14.749 238 HA VAL 12 HA VAL 12 3.698 9.568 -14.093 239 HB VAL 12 HB VAL 12 6.288 9.477 -15.726 240 HG11 VAL 12 1HG1 VAL 12 5.036 11.787 -14.201 241 HG12 VAL 12 2HG1 VAL 12 6.589 11.812 -15.064 242 HG13 VAL 12 3HG1 VAL 12 5.075 11.617 -15.970 243 HG21 VAL 12 3HG2 VAL 12 6.638 8.443 -13.545 244 HG22 VAL 12 1HG2 VAL 12 7.379 10.054 -13.539 245 HG23 VAL 12 2HG2 VAL 12 5.816 9.794 -12.731 246 H GLU 13 H GLU 13 4.688 8.088 -17.185 247 HA GLU 13 HA GLU 13 3.455 10.011 -18.904 248 HB2 GLU 13 1HB GLU 13 4.119 7.070 -19.224 249 HB3 GLU 13 2HB GLU 13 3.496 8.059 -20.548 250 HG2 GLU 13 1HG GLU 13 5.439 9.473 -20.523 251 HG3 GLU 13 2HG GLU 13 6.021 8.761 -19.017 252 HE2 GLU 13 HE2 GLU 13 7.790 7.363 -21.802 253 H ALA 14 H ALA 14 2.204 7.104 -17.268 254 HA ALA 14 HA ALA 14 -0.296 7.087 -18.713 255 HB1 ALA 14 3HB ALA 14 -1.003 5.508 -16.962 256 HB2 ALA 14 1HB ALA 14 0.626 5.104 -17.559 257 HB3 ALA 14 2HB ALA 14 0.431 5.924 -15.992 258 H LEU 15 H LEU 15 0.851 8.538 -15.666 259 HA LEU 15 HA LEU 15 -1.717 9.349 -14.735 260 HB2 LEU 15 1HB LEU 15 1.089 10.326 -14.190 261 HB3 LEU 15 2HB LEU 15 -0.321 11.050 -13.421 262 HG LEU 15 HG LEU 15 0.418 8.122 -13.170 263 HD11 LEU 15 1HD1 LEU 15 0.784 10.356 -11.160 264 HD12 LEU 15 2HD1 LEU 15 2.091 9.617 -12.119 265 HD13 LEU 15 3HD1 LEU 15 1.192 8.637 -10.945 266 HD21 LEU 15 3HD2 LEU 15 -1.627 9.841 -11.776 267 HD22 LEU 15 1HD2 LEU 15 -1.209 8.168 -11.335 268 HD23 LEU 15 2HD2 LEU 15 -1.948 8.502 -12.900 269 H TYR 16 H TYR 16 0.522 10.908 -17.012 270 HA TYR 16 HA TYR 16 -0.700 13.482 -17.011 271 HB2 TYR 16 1HB TYR 16 0.811 11.854 -19.044 272 HB3 TYR 16 2HB TYR 16 -0.058 13.294 -19.582 273 HD1 TYR 16 HD1 TYR 16 0.424 15.535 -18.404 274 HD2 TYR 16 HD2 TYR 16 2.980 12.092 -18.043 275 HE1 TYR 16 HE1 TYR 16 2.305 17.001 -17.668 276 HE2 TYR 16 HE2 TYR 16 4.861 13.574 -17.334 277 HH TYR 16 HH TYR 16 5.533 15.719 -16.884 278 H LEU 17 H LEU 17 -1.579 10.483 -18.746 279 HA LEU 17 HA LEU 17 -3.712 11.751 -20.221 280 HB2 LEU 17 1HB LEU 17 -3.285 8.842 -19.489 281 HB3 LEU 17 2HB LEU 17 -4.444 9.453 -20.658 282 HG LEU 17 HG LEU 17 -1.428 9.720 -20.928 283 HD11 LEU 17 1HD1 LEU 17 -1.611 7.898 -22.572 284 HD12 LEU 17 2HD1 LEU 17 -3.350 7.748 -22.227 285 HD13 LEU 17 3HD1 LEU 17 -2.150 7.364 -20.967 286 HD21 LEU 17 3HD2 LEU 17 -1.960 10.229 -23.306 287 HD22 LEU 17 1HD2 LEU 17 -2.625 11.441 -22.195 288 HD23 LEU 17 2HD2 LEU 17 -3.695 10.211 -22.909 289 H VAL 18 H VAL 18 -3.591 9.855 -17.199 290 HA VAL 18 HA VAL 18 -6.477 9.669 -17.039 291 HB VAL 18 HB VAL 18 -4.301 9.142 -14.958 292 HG11 VAL 18 1HG1 VAL 18 -6.111 7.775 -13.831 293 HG12 VAL 18 2HG1 VAL 18 -6.340 9.526 -13.751 294 HG13 VAL 18 3HG1 VAL 18 -7.289 8.553 -14.909 295 HG21 VAL 18 3HG2 VAL 18 -4.136 7.668 -16.890 296 HG22 VAL 18 1HG2 VAL 18 -4.796 6.760 -15.524 297 HG23 VAL 18 2HG2 VAL 18 -5.876 7.312 -16.818 298 H CYS 19 H CYS 19 -4.022 11.712 -15.418 299 HA CYS 19 HA CYS 19 -6.110 13.039 -13.863 300 HB2 CYS 19 1HB CYS 19 -3.188 13.736 -14.263 301 HB3 CYS 19 2HB CYS 19 -4.268 14.430 -13.041 302 H GLY 20 H GLY 20 -4.656 13.396 -17.020 303 HA2 GLY 20 1HA GLY 20 -5.169 14.892 -18.687 304 HA3 GLY 20 2HA GLY 20 -6.538 15.437 -17.705 305 H GLU 21 H GLU 21 -6.213 17.569 -18.340 306 HA GLU 21 HA GLU 21 -3.727 18.958 -18.052 307 HB2 GLU 21 1HB GLU 21 -6.592 19.939 -18.229 308 HB3 GLU 21 2HB GLU 21 -5.175 20.995 -18.302 309 HG2 GLU 21 1HG GLU 21 -4.392 19.845 -20.324 310 HG3 GLU 21 2HG GLU 21 -5.781 18.750 -20.257 311 HE2 GLU 21 HE2 GLU 21 -4.614 21.332 -21.518 312 H ARG 22 H ARG 22 -5.763 17.861 -15.571 313 HA ARG 22 HA ARG 22 -5.558 20.113 -13.755 314 HB2 ARG 22 1HB ARG 22 -5.887 17.134 -13.241 315 HB3 ARG 22 2HB ARG 22 -6.018 18.384 -12.005 316 HG2 ARG 22 1HG ARG 22 -7.962 19.349 -13.108 317 HG3 ARG 22 2HG ARG 22 -7.832 18.173 -14.432 318 HD2 ARG 22 1HD ARG 22 -8.195 17.407 -11.514 319 HD3 ARG 22 2HD ARG 22 -9.538 17.594 -12.662 320 HE ARG 22 HE ARG 22 -7.736 15.853 -13.898 321 HH11 ARG 22 1HH1 ARG 22 -9.566 15.758 -10.861 322 HH12 ARG 22 2HH1 ARG 22 -9.679 14.016 -10.900 323 HH21 ARG 22 1HH2 ARG 22 -7.979 13.665 -13.871 324 HH22 ARG 22 2HH2 ARG 22 -8.800 12.866 -12.552 325 H GLY 23 H GLY 23 -3.409 17.543 -14.761 326 HA2 GLY 23 1HA GLY 23 -1.125 17.370 -14.298 327 HA3 GLY 23 2HA GLY 23 -1.267 18.687 -13.116 328 H PHE 24 H PHE 24 0.252 16.841 -12.182 329 HA PHE 24 HA PHE 24 -1.186 15.586 -9.996 330 HB2 PHE 24 1HB PHE 24 -0.539 13.285 -10.510 331 HB3 PHE 24 2HB PHE 24 -1.585 13.907 -11.784 332 HD1 PHE 24 HD1 PHE 24 -0.659 14.531 -13.998 333 HD2 PHE 24 HD2 PHE 24 1.727 12.652 -10.966 334 HE1 PHE 24 HE1 PHE 24 1.051 13.969 -15.696 335 HE2 PHE 24 HE2 PHE 24 3.426 12.054 -12.658 336 HZ PHE 24 HZ PHE 24 3.096 12.724 -15.049 337 H PHE 25 H PHE 25 0.683 14.185 -8.817 338 HA PHE 25 HA PHE 25 3.306 15.510 -9.330 339 HB2 PHE 25 1HB PHE 25 3.707 15.738 -6.973 340 HB3 PHE 25 2HB PHE 25 2.166 16.521 -7.331 341 HD1 PHE 25 HD1 PHE 25 0.007 15.366 -6.687 342 HD2 PHE 25 HD2 PHE 25 3.861 13.873 -5.483 343 HE1 PHE 25 HE1 PHE 25 -1.088 13.946 -4.963 344 HE2 PHE 25 HE2 PHE 25 2.774 12.456 -3.747 345 HZ PHE 25 HZ PHE 25 0.292 12.485 -3.489 346 H TYR 26 H TYR 26 5.128 14.201 -8.510 347 HA TYR 26 HA TYR 26 4.506 11.365 -7.959 348 HB2 TYR 26 1HB TYR 26 4.633 11.504 -10.429 349 HB3 TYR 26 2HB TYR 26 6.223 12.275 -10.304 350 HD1 TYR 26 HD2 TYR 26 4.338 9.128 -9.584 351 HD2 TYR 26 HD1 TYR 26 8.214 10.961 -9.958 352 HE1 TYR 26 HE2 TYR 26 5.414 6.892 -9.457 353 HE2 TYR 26 HE1 TYR 26 9.286 8.716 -9.830 354 HH TYR 26 HH TYR 26 7.352 5.712 -9.526 355 H THR 27 H THR 27 6.090 10.437 -6.691 356 HA THR 27 HA THR 27 8.201 12.280 -5.737 357 HB THR 27 HB THR 27 8.527 10.531 -3.963 358 HG1 THR 27 HG1 THR 27 7.516 8.911 -5.539 359 HG21 THR 27 1HG2 THR 27 5.618 11.380 -4.293 360 HG22 THR 27 2HG2 THR 27 6.912 12.419 -3.648 361 HG23 THR 27 3HG2 THR 27 6.438 10.943 -2.780 362 HA PRO 28 HA PRO 28 10.813 9.720 -8.417 363 HB2 PRO 28 1HB PRO 28 13.021 11.299 -8.505 364 HB3 PRO 28 2HB PRO 28 11.530 11.729 -9.407 365 HG2 PRO 28 1HG PRO 28 12.435 12.678 -6.696 366 HG3 PRO 28 2HG PRO 28 11.943 13.650 -8.123 367 HD2 PRO 28 1HD PRO 28 10.202 13.088 -6.136 368 HD3 PRO 28 2HD PRO 28 9.678 13.105 -7.858 369 H LYS 29 H LYS 29 13.022 8.707 -8.140 370 HA LYS 29 HA LYS 29 13.866 8.520 -5.292 371 HB2 LYS 29 1HB LYS 29 13.618 6.456 -7.516 372 HB3 LYS 29 2HB LYS 29 14.653 6.213 -6.104 373 HG2 LYS 29 1HG LYS 29 12.744 5.136 -5.550 374 HG3 LYS 29 2HG LYS 29 12.573 6.649 -4.692 375 HD2 LYS 29 1HD LYS 29 11.158 7.249 -6.923 376 HD3 LYS 29 2HD LYS 29 11.012 5.493 -6.994 377 HE2 LYS 29 1HE LYS 29 9.118 6.357 -5.774 378 HE3 LYS 29 2HE LYS 29 10.187 5.542 -4.609 379 HZ1 LYS 29 3HZ LYS 29 10.053 8.473 -5.091 380 HZ2 LYS 29 1HZ LYS 29 11.082 7.746 -4.030 381 HZ3 LYS 29 2HZ LYS 29 9.452 7.691 -3.767 382 H THR 30 H THR 30 15.590 9.870 -5.298 383 HA THR 30 HA THR 30 17.692 9.476 -7.391 384 HB THR 30 HB THR 30 18.184 11.985 -6.858 385 HG1 THR 30 HG1 THR 30 16.529 13.073 -5.866 386 HG21 THR 30 1HG2 THR 30 15.489 11.329 -8.205 387 HG22 THR 30 2HG2 THR 30 17.067 11.219 -9.009 388 HG23 THR 30 3HG2 THR 30 16.462 12.787 -8.455 389 HXT THR 30 H02 THR 30 18.983 8.721 -4.119 Start of MODEL 26 1 H1 GLY 1 3H0 GLY 1 2.147 -0.866 0.034 2 H2 GLY 1 2H0 GLY 1 1.049 -1.431 -1.061 3 H3 GLY 1 1H0 GLY 1 2.621 -1.209 -1.509 4 HA2 GLY 1 1HA GLY 1 0.764 0.926 -0.707 5 HA3 GLY 1 2HA GLY 1 2.450 1.150 -1.220 6 H ILE 2 H ILE 2 0.500 2.532 -2.571 7 HA ILE 2 HA ILE 2 -0.777 1.117 -4.643 8 HB ILE 2 HB ILE 2 -1.349 3.387 -3.764 9 HG12 ILE 2 1HG1 ILE 2 -1.084 3.245 -6.779 10 HG13 ILE 2 2HG1 ILE 2 -2.250 2.309 -5.841 11 HG21 ILE 2 1HG2 ILE 2 0.855 4.408 -5.629 12 HG22 ILE 2 2HG2 ILE 2 -0.257 5.390 -4.657 13 HG23 ILE 2 3HG2 ILE 2 0.964 4.386 -3.854 14 HD11 ILE 2 3HD1 ILE 2 -3.389 4.217 -6.692 15 HD12 ILE 2 1HD1 ILE 2 -3.173 4.480 -4.950 16 HD13 ILE 2 2HD1 ILE 2 -2.126 5.326 -6.120 17 H VAL 3 H VAL 3 2.484 2.560 -4.643 18 HA VAL 3 HA VAL 3 2.812 2.208 -7.468 19 HB VAL 3 HB VAL 3 4.171 3.803 -6.192 20 HG11 VAL 3 1HG1 VAL 3 5.996 3.099 -4.741 21 HG12 VAL 3 2HG1 VAL 3 4.451 2.497 -4.110 22 HG13 VAL 3 3HG1 VAL 3 5.564 1.392 -4.966 23 HG21 VAL 3 3HG2 VAL 3 5.888 1.643 -7.495 24 HG22 VAL 3 1HG2 VAL 3 4.980 2.898 -8.363 25 HG23 VAL 3 2HG2 VAL 3 6.312 3.360 -7.281 26 H GLU 4 H GLU 4 3.339 0.031 -4.689 27 HA GLU 4 HA GLU 4 4.728 -1.963 -6.257 28 HB2 GLU 4 1HB GLU 4 3.094 -2.136 -3.700 29 HB3 GLU 4 2HB GLU 4 3.792 -3.552 -4.483 30 HG2 GLU 4 1HG GLU 4 5.341 -2.988 -2.847 31 HG3 GLU 4 2HG GLU 4 6.033 -2.384 -4.357 32 HE2 GLU 4 HE2 GLU 4 6.587 0.449 -2.606 33 H GLN 5 H GLN 5 1.302 -1.401 -5.367 34 HA GLN 5 HA GLN 5 0.255 -3.703 -6.658 35 HB2 GLN 5 1HB GLN 5 -0.933 -0.964 -6.114 36 HB3 GLN 5 2HB GLN 5 -1.872 -2.317 -6.756 37 HG2 GLN 5 1HG GLN 5 -1.582 -3.599 -4.769 38 HG3 GLN 5 2HG GLN 5 -0.324 -2.517 -4.159 39 HE21 GLN 5 2HE2 GLN 5 -3.705 -3.135 -4.336 40 HE22 GLN 5 1HE2 GLN 5 -4.214 -1.741 -3.413 41 H CYS 6 H CYS 6 0.950 -0.422 -7.913 42 HA CYS 6 HA CYS 6 -0.137 -0.994 -10.529 43 HB2 CYS 6 1HB CYS 6 1.567 1.169 -9.317 44 HB3 CYS 6 2HB CYS 6 1.409 1.060 -11.078 45 H CYS 7 H CYS 7 3.046 -1.499 -9.081 46 HA CYS 7 HA CYS 7 4.310 -1.861 -11.681 47 HB2 CYS 7 1HB CYS 7 5.149 -1.936 -8.832 48 HB3 CYS 7 2HB CYS 7 6.063 -2.960 -9.947 49 H THR 8 H THR 8 3.325 -4.028 -8.975 50 HA THR 8 HA THR 8 4.230 -6.347 -10.523 51 HB THR 8 HB THR 8 4.550 -6.102 -8.011 52 HG1 THR 8 HG1 THR 8 4.581 -8.131 -9.251 53 HG21 THR 8 1HG2 THR 8 2.004 -5.436 -7.725 54 HG22 THR 8 2HG2 THR 8 2.828 -6.411 -6.496 55 HG23 THR 8 3HG2 THR 8 1.767 -7.196 -7.692 56 H SER 9 H SER 9 1.242 -4.631 -10.109 57 HA SER 9 HA SER 9 -0.030 -6.720 -11.772 58 HB2 SER 9 1HB SER 9 -0.606 -7.084 -9.287 59 HB3 SER 9 2HB SER 9 -1.466 -5.530 -9.346 60 HG SER 9 HG SER 9 -2.703 -7.548 -9.794 61 H ILE 10 H ILE 10 -2.530 -5.660 -12.028 62 HA ILE 10 HA ILE 10 -1.766 -3.746 -14.030 63 HB ILE 10 HB ILE 10 -4.477 -4.760 -13.115 64 HG12 ILE 10 1HG1 ILE 10 -2.928 -6.421 -14.139 65 HG13 ILE 10 2HG1 ILE 10 -4.418 -6.177 -15.047 66 HG21 ILE 10 1HG2 ILE 10 -3.809 -2.888 -15.420 67 HG22 ILE 10 2HG2 ILE 10 -5.322 -3.827 -15.323 68 HG23 ILE 10 3HG2 ILE 10 -4.949 -2.622 -14.081 69 HD11 ILE 10 3HD1 ILE 10 -3.248 -4.850 -16.725 70 HD12 ILE 10 1HD1 ILE 10 -1.744 -4.918 -15.783 71 HD13 ILE 10 2HD1 ILE 10 -2.414 -6.396 -16.500 72 H CYS 11 H CYS 11 -1.513 -1.686 -13.951 73 HA CYS 11 HA CYS 11 -2.645 -0.143 -11.694 74 HB2 CYS 11 1HB CYS 11 -0.224 0.016 -12.587 75 HB3 CYS 11 2HB CYS 11 -0.920 0.845 -13.970 76 H SER 12 H SER 12 -4.840 -0.303 -12.316 77 HA SER 12 HA SER 12 -5.728 0.397 -14.987 78 HB2 SER 12 1HB SER 12 -7.973 0.302 -13.976 79 HB3 SER 12 2HB SER 12 -7.004 -1.102 -13.481 80 HG SER 12 HG SER 12 -7.872 -0.337 -11.624 81 H LEU 13 H LEU 13 -7.323 2.252 -15.294 82 HA LEU 13 HA LEU 13 -6.038 4.703 -14.709 83 HB2 LEU 13 1HB LEU 13 -7.957 5.781 -15.655 84 HB3 LEU 13 2HB LEU 13 -7.541 4.361 -16.598 85 HG LEU 13 HG LEU 13 -9.468 3.321 -14.952 86 HD11 LEU 13 1HD1 LEU 13 -9.998 5.490 -13.942 87 HD12 LEU 13 2HD1 LEU 13 -11.342 4.946 -14.959 88 HD13 LEU 13 3HD1 LEU 13 -10.239 6.207 -15.553 89 HD21 LEU 13 3HD2 LEU 13 -10.947 3.502 -16.907 90 HD22 LEU 13 1HD2 LEU 13 -9.298 3.060 -17.390 91 HD23 LEU 13 2HD2 LEU 13 -9.874 4.732 -17.616 92 H TYR 14 H TYR 14 -8.460 2.910 -12.870 93 HA TYR 14 HA TYR 14 -9.253 5.070 -11.170 94 HB2 TYR 14 1HB TYR 14 -9.138 2.145 -10.416 95 HB3 TYR 14 2HB TYR 14 -10.258 3.378 -9.825 96 HD1 TYR 14 HD2 TYR 14 -11.862 4.443 -11.639 97 HD2 TYR 14 HD1 TYR 14 -9.725 0.750 -12.203 98 HE1 TYR 14 HE2 TYR 14 -13.442 3.799 -13.463 99 HE2 TYR 14 HE1 TYR 14 -11.295 0.128 -14.048 100 HH TYR 14 HH TYR 14 -14.025 2.207 -15.006 101 H GLN 15 H GLN 15 -6.652 2.638 -10.993 102 HA GLN 15 HA GLN 15 -5.731 3.385 -8.364 103 HB2 GLN 15 1HB GLN 15 -4.251 2.144 -10.721 104 HB3 GLN 15 2HB GLN 15 -3.600 2.288 -9.089 105 HG2 GLN 15 1HG GLN 15 -6.102 0.720 -9.814 106 HG3 GLN 15 2HG GLN 15 -4.485 0.023 -9.622 107 HE21 GLN 15 2HE2 GLN 15 -3.459 0.166 -7.518 108 HE22 GLN 15 1HE2 GLN 15 -4.461 0.247 -6.086 109 H LEU 16 H LEU 16 -5.004 4.423 -11.694 110 HA LEU 16 HA LEU 16 -2.866 6.178 -10.993 111 HB2 LEU 16 1HB LEU 16 -4.738 6.049 -13.350 112 HB3 LEU 16 2HB LEU 16 -3.432 7.230 -13.246 113 HG LEU 16 HG LEU 16 -2.935 4.251 -12.961 114 HD11 LEU 16 1HD1 LEU 16 -2.814 5.893 -15.500 115 HD12 LEU 16 2HD1 LEU 16 -3.991 4.613 -15.126 116 HD13 LEU 16 3HD1 LEU 16 -2.280 4.208 -15.304 117 HD21 LEU 16 3HD2 LEU 16 -1.132 5.734 -12.180 118 HD22 LEU 16 1HD2 LEU 16 -1.138 6.580 -13.744 119 HD23 LEU 16 2HD2 LEU 16 -0.655 4.875 -13.652 120 H GLU 17 H GLU 17 -6.405 6.739 -11.142 121 HA GLU 17 HA GLU 17 -6.327 9.574 -10.863 122 HB2 GLU 17 1HB GLU 17 -8.292 7.489 -9.859 123 HB3 GLU 17 2HB GLU 17 -8.551 9.219 -9.643 124 HG2 GLU 17 1HG GLU 17 -8.602 9.569 -12.035 125 HG3 GLU 17 2HG GLU 17 -8.197 7.881 -12.324 126 HE2 GLU 17 HE2 GLU 17 -10.455 9.943 -11.028 127 H ASN 18 H ASN 18 -5.928 7.011 -8.447 128 HA ASN 18 HA ASN 18 -6.250 8.674 -6.143 129 HB2 ASN 18 1HB ASN 18 -5.054 5.975 -6.653 130 HB3 ASN 18 2HB ASN 18 -4.764 6.769 -5.104 131 HD21 ASN 18 2HD2 ASN 18 -7.210 5.382 -7.223 132 HD22 ASN 18 1HD2 ASN 18 -8.435 5.264 -5.982 133 H TYR 19 H TYR 19 -3.489 8.260 -8.283 134 HA TYR 19 HA TYR 19 -1.472 9.170 -6.403 135 HB2 TYR 19 1HB TYR 19 -1.668 9.108 -9.408 136 HB3 TYR 19 2HB TYR 19 -0.257 9.764 -8.606 137 HD1 TYR 19 HD1 TYR 19 -2.229 6.651 -9.108 138 HD2 TYR 19 HD2 TYR 19 1.456 8.337 -7.706 139 HE1 TYR 19 HE1 TYR 19 -1.234 4.368 -9.000 140 HE2 TYR 19 HE2 TYR 19 2.452 6.045 -7.603 141 HH TYR 19 HH TYR 19 0.595 3.135 -8.537 142 H CYS 20 H CYS 20 -3.937 10.760 -8.348 143 HA CYS 20 HA CYS 20 -2.644 13.395 -8.162 144 HB2 CYS 20 1HB CYS 20 -5.475 12.648 -8.977 145 HB3 CYS 20 2HB CYS 20 -4.693 14.212 -9.216 146 H ASN 21 H ASN 21 -2.572 14.280 -6.155 147 HA ASN 21 HA ASN 21 -5.074 14.178 -4.513 148 HB2 ASN 21 1HB ASN 21 -3.331 12.695 -3.548 149 HB3 ASN 21 2HB ASN 21 -2.217 14.060 -3.442 150 HD21 ASN 21 2HD2 ASN 21 -5.255 12.707 -2.281 151 HD22 ASN 21 1HD2 ASN 21 -5.337 13.690 -0.841 152 HXT ASN 21 H02 ASN 21 -3.104 17.509 -4.558 153 H1 PHE 1 3H0 PHE 1 -8.339 5.120 -22.139 154 H2 PHE 1 2H0 PHE 1 -8.017 3.975 -23.285 155 H3 PHE 1 1H0 PHE 1 -8.944 3.591 -21.977 156 HA PHE 1 HA PHE 1 -6.084 4.301 -21.920 157 HB2 PHE 1 1HB PHE 1 -7.303 5.096 -19.933 158 HB3 PHE 1 2HB PHE 1 -8.004 3.491 -19.697 159 HD1 PHE 1 HD2 PHE 1 -4.768 5.373 -19.735 160 HD2 PHE 1 HD1 PHE 1 -6.842 1.815 -18.464 161 HE1 PHE 1 HE2 PHE 1 -2.800 4.714 -18.369 162 HE2 PHE 1 HE1 PHE 1 -4.881 1.166 -17.076 163 HZ PHE 1 HZ PHE 1 -2.848 2.603 -17.047 164 H VAL 2 H VAL 2 -4.651 2.482 -21.569 165 HA VAL 2 HA VAL 2 -5.962 -0.162 -22.075 166 HB VAL 2 HB VAL 2 -3.180 0.771 -22.954 167 HG11 VAL 2 1HG1 VAL 2 -3.106 -1.398 -24.180 168 HG12 VAL 2 2HG1 VAL 2 -3.217 -1.639 -22.427 169 HG13 VAL 2 3HG1 VAL 2 -4.660 -1.858 -23.449 170 HG21 VAL 2 3HG2 VAL 2 -5.717 0.267 -24.577 171 HG22 VAL 2 1HG2 VAL 2 -4.887 1.825 -24.351 172 HG23 VAL 2 2HG2 VAL 2 -4.102 0.533 -25.275 173 H ASN 3 H ASN 3 -5.781 -1.488 -20.374 174 HA ASN 3 HA ASN 3 -4.283 -0.801 -18.037 175 HB2 ASN 3 1HB ASN 3 -5.531 -3.391 -19.001 176 HB3 ASN 3 2HB ASN 3 -4.643 -3.262 -17.481 177 HD21 ASN 3 2HD2 ASN 3 -7.548 -3.776 -18.140 178 HD22 ASN 3 1HD2 ASN 3 -8.420 -2.597 -17.191 179 H GLN 4 H GLN 4 -2.284 -1.260 -17.388 180 HA GLN 4 HA GLN 4 -0.853 -3.553 -18.408 181 HB2 GLN 4 1HB GLN 4 1.059 -2.238 -19.284 182 HB3 GLN 4 2HB GLN 4 -0.404 -1.952 -20.232 183 HG2 GLN 4 1HG GLN 4 -0.740 0.141 -18.756 184 HG3 GLN 4 2HG GLN 4 0.937 -0.110 -18.268 185 HE21 GLN 4 2HE2 GLN 4 -1.225 0.509 -20.976 186 HE22 GLN 4 1HE2 GLN 4 -0.012 1.240 -22.010 187 H HIS 5 H HIS 5 1.004 -3.830 -17.116 188 HA HIS 5 HA HIS 5 0.959 -2.698 -14.421 189 HB2 HIS 5 1HB HIS 5 3.243 -4.138 -15.839 190 HB3 HIS 5 2HB HIS 5 3.035 -3.923 -14.098 191 HD1 HIS 5 HD1 HIS 5 0.253 -4.872 -13.549 192 HD2 HIS 5 HD2 HIS 5 2.729 -6.786 -16.260 193 HE1 HIS 5 HE1 HIS 5 -0.615 -7.271 -13.797 194 HE2 HIS 5 HE2 HIS 5 0.923 -8.412 -15.440 195 H LEU 6 H LEU 6 2.322 -0.993 -13.644 196 HA LEU 6 HA LEU 6 3.854 0.479 -15.758 197 HB2 LEU 6 1HB LEU 6 1.722 1.544 -13.895 198 HB3 LEU 6 2HB LEU 6 2.881 2.576 -14.709 199 HG LEU 6 HG LEU 6 0.888 0.822 -16.163 200 HD11 LEU 6 1HD1 LEU 6 0.819 3.785 -15.527 201 HD12 LEU 6 2HD1 LEU 6 -0.237 2.549 -14.831 202 HD13 LEU 6 3HD1 LEU 6 -0.338 2.910 -16.557 203 HD21 LEU 6 3HD2 LEU 6 2.699 3.090 -17.073 204 HD22 LEU 6 1HD2 LEU 6 1.450 2.327 -18.071 205 HD23 LEU 6 2HD2 LEU 6 2.840 1.371 -17.529 206 H CYS 7 H CYS 7 5.802 1.084 -15.141 207 HA CYS 7 HA CYS 7 6.266 1.811 -12.288 208 HB2 CYS 7 1HB CYS 7 8.099 0.082 -14.002 209 HB3 CYS 7 2HB CYS 7 8.461 0.674 -12.379 210 H GLY 8 H GLY 8 8.261 3.151 -12.082 211 HA2 GLY 8 1HA GLY 8 9.649 4.861 -12.749 212 HA3 GLY 8 2HA GLY 8 9.873 3.911 -14.220 213 H SER 9 H SER 9 10.010 5.524 -15.687 214 HA SER 9 HA SER 9 8.421 7.845 -15.763 215 HB2 SER 9 1HB SER 9 9.333 6.601 -18.323 216 HB3 SER 9 2HB SER 9 9.553 8.262 -17.717 217 HG SER 9 HG SER 9 11.528 7.225 -17.595 218 H HIS 10 H HIS 10 7.685 4.574 -16.923 219 HA HIS 10 HA HIS 10 5.575 5.340 -18.718 220 HB2 HIS 10 1HB HIS 10 6.574 2.862 -17.477 221 HB3 HIS 10 2HB HIS 10 4.834 2.866 -17.746 222 HD1 HIS 10 HD1 HIS 10 3.980 3.110 -20.265 223 HD2 HIS 10 HD2 HIS 10 8.113 2.606 -19.785 224 HE1 HIS 10 HE1 HIS 10 4.928 2.537 -22.559 225 HE2 HIS 10 HE2 HIS 10 7.421 2.238 -22.251 226 H LEU 11 H LEU 11 5.686 4.761 -15.216 227 HA LEU 11 HA LEU 11 2.836 4.774 -14.829 228 HB2 LEU 11 1HB LEU 11 4.530 3.917 -13.215 229 HB3 LEU 11 2HB LEU 11 5.093 5.557 -12.952 230 HG LEU 11 HG LEU 11 2.985 6.157 -11.874 231 HD11 LEU 11 1HD1 LEU 11 1.458 4.634 -13.079 232 HD12 LEU 11 2HD1 LEU 11 1.313 4.462 -11.323 233 HD13 LEU 11 3HD1 LEU 11 2.207 3.242 -12.260 234 HD21 LEU 11 3HD2 LEU 11 4.874 5.181 -10.590 235 HD22 LEU 11 1HD2 LEU 11 4.175 3.557 -10.811 236 HD23 LEU 11 2HD2 LEU 11 3.303 4.788 -9.867 237 H VAL 12 H VAL 12 5.352 7.299 -14.795 238 HA VAL 12 HA VAL 12 3.606 9.450 -14.052 239 HB VAL 12 HB VAL 12 6.224 9.514 -15.632 240 HG11 VAL 12 1HG1 VAL 12 4.975 11.627 -15.807 241 HG12 VAL 12 2HG1 VAL 12 4.839 11.698 -14.039 242 HG13 VAL 12 3HG1 VAL 12 6.432 11.825 -14.815 243 HG21 VAL 12 3HG2 VAL 12 5.681 9.667 -12.636 244 HG22 VAL 12 1HG2 VAL 12 6.564 8.387 -13.496 245 HG23 VAL 12 2HG2 VAL 12 7.250 10.017 -13.398 246 H GLU 13 H GLU 13 4.642 8.137 -17.216 247 HA GLU 13 HA GLU 13 3.433 10.136 -18.860 248 HB2 GLU 13 1HB GLU 13 4.043 7.198 -19.251 249 HB3 GLU 13 2HB GLU 13 3.332 8.176 -20.538 250 HG2 GLU 13 1HG GLU 13 5.259 9.561 -20.700 251 HG3 GLU 13 2HG GLU 13 5.927 8.949 -19.184 252 HE2 GLU 13 HE2 GLU 13 7.311 9.009 -21.278 253 H ALA 14 H ALA 14 2.138 7.233 -17.278 254 HA ALA 14 HA ALA 14 -0.373 7.325 -18.710 255 HB1 ALA 14 3HB ALA 14 -1.072 5.647 -17.116 256 HB2 ALA 14 1HB ALA 14 0.577 5.291 -17.675 257 HB3 ALA 14 2HB ALA 14 0.318 6.015 -16.070 258 H LEU 15 H LEU 15 0.844 8.709 -15.661 259 HA LEU 15 HA LEU 15 -1.718 9.485 -14.649 260 HB2 LEU 15 1HB LEU 15 1.085 10.540 -14.203 261 HB3 LEU 15 2HB LEU 15 -0.316 11.229 -13.395 262 HG LEU 15 HG LEU 15 0.497 8.323 -13.133 263 HD11 LEU 15 1HD1 LEU 15 1.369 8.868 -10.944 264 HD12 LEU 15 2HD1 LEU 15 0.955 10.584 -11.168 265 HD13 LEU 15 3HD1 LEU 15 2.214 9.831 -12.172 266 HD21 LEU 15 3HD2 LEU 15 -1.426 10.024 -11.543 267 HD22 LEU 15 1HD2 LEU 15 -1.049 8.301 -11.293 268 HD23 LEU 15 2HD2 LEU 15 -1.885 8.813 -12.755 269 H TYR 16 H TYR 16 0.507 11.035 -16.948 270 HA TYR 16 HA TYR 16 -0.813 13.571 -17.079 271 HB2 TYR 16 1HB TYR 16 0.780 11.944 -19.078 272 HB3 TYR 16 2HB TYR 16 -0.035 13.428 -19.567 273 HD1 TYR 16 HD1 TYR 16 0.520 15.615 -18.346 274 HD2 TYR 16 HD2 TYR 16 2.928 12.066 -18.007 275 HE1 TYR 16 HE1 TYR 16 2.439 16.988 -17.537 276 HE2 TYR 16 HE2 TYR 16 4.852 13.455 -17.221 277 HH TYR 16 HH TYR 16 5.588 15.555 -16.683 278 H LEU 17 H LEU 17 -1.526 10.436 -18.629 279 HA LEU 17 HA LEU 17 -3.572 11.539 -20.341 280 HB2 LEU 17 1HB LEU 17 -3.209 8.707 -19.328 281 HB3 LEU 17 2HB LEU 17 -4.264 9.217 -20.629 282 HG LEU 17 HG LEU 17 -1.238 9.436 -20.691 283 HD11 LEU 17 1HD1 LEU 17 -1.996 7.088 -20.542 284 HD12 LEU 17 2HD1 LEU 17 -1.306 7.453 -22.137 285 HD13 LEU 17 3HD1 LEU 17 -3.070 7.350 -21.940 286 HD21 LEU 17 3HD2 LEU 17 -2.318 11.025 -22.210 287 HD22 LEU 17 1HD2 LEU 17 -3.335 9.727 -22.882 288 HD23 LEU 17 2HD2 LEU 17 -1.572 9.710 -23.137 289 H VAL 18 H VAL 18 -3.643 9.891 -17.174 290 HA VAL 18 HA VAL 18 -6.535 9.689 -17.221 291 HB VAL 18 HB VAL 18 -4.525 9.246 -14.967 292 HG11 VAL 18 1HG1 VAL 18 -6.740 9.654 -14.009 293 HG12 VAL 18 2HG1 VAL 18 -7.477 8.500 -15.145 294 HG13 VAL 18 3HG1 VAL 18 -6.348 7.930 -13.892 295 HG21 VAL 18 3HG2 VAL 18 -4.141 7.717 -16.773 296 HG22 VAL 18 1HG2 VAL 18 -5.024 6.833 -15.524 297 HG23 VAL 18 2HG2 VAL 18 -5.880 7.404 -16.967 298 H CYS 19 H CYS 19 -4.213 11.832 -15.530 299 HA CYS 19 HA CYS 19 -6.540 13.260 -14.379 300 HB2 CYS 19 1HB CYS 19 -3.682 13.073 -13.745 301 HB3 CYS 19 2HB CYS 19 -4.338 14.724 -13.638 302 H GLY 20 H GLY 20 -4.656 13.367 -17.249 303 HA2 GLY 20 1HA GLY 20 -4.795 14.856 -18.991 304 HA3 GLY 20 2HA GLY 20 -6.269 15.467 -18.234 305 H GLU 21 H GLU 21 -5.934 17.537 -18.786 306 HA GLU 21 HA GLU 21 -3.498 18.960 -18.472 307 HB2 GLU 21 1HB GLU 21 -5.105 20.988 -18.640 308 HB3 GLU 21 2HB GLU 21 -4.930 19.885 -19.996 309 HG2 GLU 21 1HG GLU 21 -7.286 20.578 -19.624 310 HG3 GLU 21 2HG GLU 21 -7.060 18.830 -19.545 311 HE2 GLU 21 HE2 GLU 21 -7.088 21.589 -17.609 312 H ARG 22 H ARG 22 -5.749 18.127 -15.978 313 HA ARG 22 HA ARG 22 -5.356 20.543 -14.431 314 HB2 ARG 22 1HB ARG 22 -6.754 19.643 -12.880 315 HB3 ARG 22 2HB ARG 22 -7.235 18.725 -14.305 316 HG2 ARG 22 1HG ARG 22 -5.566 16.920 -13.454 317 HG3 ARG 22 2HG ARG 22 -5.576 17.831 -11.931 318 HD2 ARG 22 1HD ARG 22 -7.234 16.161 -11.693 319 HD3 ARG 22 2HD ARG 22 -8.115 17.673 -12.019 320 HE ARG 22 HE ARG 22 -7.497 16.254 -14.454 321 HH11 ARG 22 1HH1 ARG 22 -9.782 16.194 -11.755 322 HH12 ARG 22 2HH1 ARG 22 -11.009 15.387 -12.697 323 HH21 ARG 22 1HH2 ARG 22 -9.082 15.230 -15.572 324 HH22 ARG 22 2HH2 ARG 22 -10.614 14.843 -14.830 325 H GLY 23 H GLY 23 -3.379 17.831 -15.038 326 HA2 GLY 23 1HA GLY 23 -1.172 17.579 -14.358 327 HA3 GLY 23 2HA GLY 23 -1.381 18.896 -13.197 328 H PHE 24 H PHE 24 0.073 17.058 -12.233 329 HA PHE 24 HA PHE 24 -1.392 15.813 -10.066 330 HB2 PHE 24 1HB PHE 24 -0.744 13.510 -10.571 331 HB3 PHE 24 2HB PHE 24 -1.776 14.119 -11.869 332 HD1 PHE 24 HD2 PHE 24 -0.826 14.712 -14.068 333 HD2 PHE 24 HD1 PHE 24 1.565 12.937 -10.982 334 HE1 PHE 24 HE2 PHE 24 0.924 14.171 -15.735 335 HE2 PHE 24 HE1 PHE 24 3.325 12.377 -12.648 336 HZ PHE 24 HZ PHE 24 2.999 12.994 -15.042 337 H PHE 25 H PHE 25 0.515 14.446 -8.877 338 HA PHE 25 HA PHE 25 3.169 15.507 -9.667 339 HB2 PHE 25 1HB PHE 25 3.809 15.984 -7.398 340 HB3 PHE 25 2HB PHE 25 2.344 16.907 -7.748 341 HD1 PHE 25 HD1 PHE 25 0.191 16.294 -6.694 342 HD2 PHE 25 HD2 PHE 25 3.822 14.170 -5.780 343 HE1 PHE 25 HE1 PHE 25 -0.896 15.288 -4.703 344 HE2 PHE 25 HE2 PHE 25 2.728 13.148 -3.790 345 HZ PHE 25 HZ PHE 25 0.360 13.707 -3.249 346 H TYR 26 H TYR 26 4.884 14.084 -8.710 347 HA TYR 26 HA TYR 26 3.944 11.423 -7.836 348 HB2 TYR 26 1HB TYR 26 3.997 11.255 -10.309 349 HB3 TYR 26 2HB TYR 26 5.656 11.875 -10.320 350 HD1 TYR 26 HD1 TYR 26 3.561 9.061 -8.951 351 HD2 TYR 26 HD2 TYR 26 7.482 10.366 -10.158 352 HE1 TYR 26 HE1 TYR 26 4.441 6.752 -8.617 353 HE2 TYR 26 HE2 TYR 26 8.344 8.047 -9.844 354 HH TYR 26 HH TYR 26 7.860 5.910 -9.220 355 H THR 27 H THR 27 5.641 10.334 -6.713 356 HA THR 27 HA THR 27 7.926 12.136 -6.029 357 HB THR 27 HB THR 27 8.016 10.887 -3.886 358 HG1 THR 27 HG1 THR 27 6.797 9.052 -4.935 359 HG21 THR 27 1HG2 THR 27 5.245 12.016 -4.454 360 HG22 THR 27 2HG2 THR 27 6.689 13.008 -4.137 361 HG23 THR 27 3HG2 THR 27 6.064 11.918 -2.879 362 HA PRO 28 HA PRO 28 9.873 8.494 -8.005 363 HB2 PRO 28 1HB PRO 28 11.963 9.772 -9.195 364 HB3 PRO 28 2HB PRO 28 10.320 9.788 -9.915 365 HG2 PRO 28 1HG PRO 28 11.658 11.862 -8.203 366 HG3 PRO 28 2HG PRO 28 10.804 12.067 -9.767 367 HD2 PRO 28 1HD PRO 28 9.608 12.546 -7.371 368 HD3 PRO 28 2HD PRO 28 8.698 11.876 -8.765 369 H LYS 29 H LYS 29 11.950 7.474 -7.476 370 HA LYS 29 HA LYS 29 13.437 8.766 -5.240 371 HB2 LYS 29 1HB LYS 29 12.192 5.990 -5.250 372 HB3 LYS 29 2HB LYS 29 13.437 6.503 -4.099 373 HG2 LYS 29 1HG LYS 29 12.001 8.187 -3.165 374 HG3 LYS 29 2HG LYS 29 10.813 7.973 -4.455 375 HD2 LYS 29 1HD LYS 29 10.318 5.707 -3.660 376 HD3 LYS 29 2HD LYS 29 11.511 5.902 -2.356 377 HE2 LYS 29 1HE LYS 29 9.225 6.351 -1.530 378 HE3 LYS 29 2HE LYS 29 10.236 7.806 -1.448 379 HZ1 LYS 29 3HZ LYS 29 8.224 7.225 -3.556 380 HZ2 LYS 29 1HZ LYS 29 9.199 8.551 -3.530 381 HZ3 LYS 29 2HZ LYS 29 8.068 8.339 -2.348 382 H THR 30 H THR 30 15.422 8.930 -5.944 383 HA THR 30 HA THR 30 16.483 7.109 -7.997 384 HB THR 30 HB THR 30 18.461 8.923 -7.474 385 HG1 THR 30 HG1 THR 30 17.420 10.868 -6.847 386 HG21 THR 30 1HG2 THR 30 15.875 9.571 -9.035 387 HG22 THR 30 2HG2 THR 30 17.255 8.662 -9.687 388 HG23 THR 30 3HG2 THR 30 17.443 10.366 -9.252 389 HXT THR 30 H02 THR 30 18.953 5.719 -6.182 Start of MODEL 27 1 H1 GLY 1 3H0 GLY 1 1.853 -0.882 0.015 2 H2 GLY 1 2H0 GLY 1 0.680 -1.311 -1.063 3 H3 GLY 1 1H0 GLY 1 2.268 -1.347 -1.511 4 HA2 GLY 1 1HA GLY 1 0.770 1.083 -0.783 5 HA3 GLY 1 2HA GLY 1 2.460 1.026 -1.319 6 H ILE 2 H ILE 2 0.320 2.537 -2.598 7 HA ILE 2 HA ILE 2 -0.843 1.096 -4.737 8 HB ILE 2 HB ILE 2 -1.582 3.306 -3.796 9 HG12 ILE 2 1HG1 ILE 2 -1.251 3.223 -6.809 10 HG13 ILE 2 2HG1 ILE 2 -2.426 2.275 -5.897 11 HG21 ILE 2 1HG2 ILE 2 0.550 4.553 -5.605 12 HG22 ILE 2 2HG2 ILE 2 -0.603 5.402 -4.559 13 HG23 ILE 2 3HG2 ILE 2 0.696 4.433 -3.837 14 HD11 ILE 2 3HD1 ILE 2 -3.392 4.449 -5.036 15 HD12 ILE 2 1HD1 ILE 2 -2.327 5.299 -6.189 16 HD13 ILE 2 2HD1 ILE 2 -3.567 4.174 -6.781 17 H VAL 3 H VAL 3 2.304 2.809 -4.652 18 HA VAL 3 HA VAL 3 2.705 2.589 -7.474 19 HB VAL 3 HB VAL 3 3.962 4.202 -6.136 20 HG11 VAL 3 1HG1 VAL 3 5.794 3.550 -4.650 21 HG12 VAL 3 2HG1 VAL 3 4.254 2.899 -4.063 22 HG13 VAL 3 3HG1 VAL 3 5.420 1.834 -4.894 23 HG21 VAL 3 3HG2 VAL 3 4.893 3.379 -8.290 24 HG22 VAL 3 1HG2 VAL 3 6.155 3.892 -7.149 25 HG23 VAL 3 2HG2 VAL 3 5.834 2.159 -7.405 26 H GLU 4 H GLU 4 3.380 0.372 -4.777 27 HA GLU 4 HA GLU 4 4.887 -1.494 -6.352 28 HB2 GLU 4 1HB GLU 4 3.204 -1.794 -3.850 29 HB3 GLU 4 2HB GLU 4 4.058 -3.153 -4.581 30 HG2 GLU 4 1HG GLU 4 6.154 -2.284 -4.092 31 HG3 GLU 4 2HG GLU 4 5.538 -0.638 -3.867 32 HE2 GLU 4 HE2 GLU 4 5.989 -2.860 -0.810 33 H GLN 5 H GLN 5 1.409 -1.139 -5.596 34 HA GLN 5 HA GLN 5 0.514 -3.492 -6.876 35 HB2 GLN 5 1HB GLN 5 -0.864 -1.946 -5.449 36 HB3 GLN 5 2HB GLN 5 -0.860 -0.785 -6.776 37 HG2 GLN 5 1HG GLN 5 -2.007 -2.467 -8.218 38 HG3 GLN 5 2HG GLN 5 -2.096 -3.552 -6.822 39 HE21 GLN 5 2HE2 GLN 5 -4.418 -3.464 -7.151 40 HE22 GLN 5 1HE2 GLN 5 -5.321 -2.106 -6.521 41 H CYS 6 H CYS 6 1.028 -0.183 -8.221 42 HA CYS 6 HA CYS 6 0.135 -1.010 -10.841 43 HB2 CYS 6 1HB CYS 6 1.545 1.423 -9.750 44 HB3 CYS 6 2HB CYS 6 1.325 1.196 -11.493 45 H CYS 7 H CYS 7 3.345 -0.882 -9.307 46 HA CYS 7 HA CYS 7 4.756 -1.247 -11.794 47 HB2 CYS 7 1HB CYS 7 5.528 -1.678 -8.896 48 HB3 CYS 7 2HB CYS 7 6.639 -1.955 -10.241 49 H THR 8 H THR 8 3.937 -3.513 -9.102 50 HA THR 8 HA THR 8 5.083 -5.703 -10.681 51 HB THR 8 HB THR 8 5.391 -5.342 -8.148 52 HG1 THR 8 HG1 THR 8 4.616 -7.827 -9.302 53 HG21 THR 8 1HG2 THR 8 2.790 -5.245 -7.794 54 HG22 THR 8 2HG2 THR 8 3.796 -6.132 -6.635 55 HG23 THR 8 3HG2 THR 8 2.889 -7.015 -7.886 56 H SER 9 H SER 9 1.916 -4.396 -10.284 57 HA SER 9 HA SER 9 0.869 -6.762 -11.717 58 HB2 SER 9 1HB SER 9 -1.015 -7.066 -10.199 59 HB3 SER 9 2HB SER 9 0.480 -7.178 -9.255 60 HG SER 9 HG SER 9 -0.109 -4.664 -9.145 61 H ILE 10 H ILE 10 -1.804 -6.082 -11.836 62 HA ILE 10 HA ILE 10 -1.430 -4.215 -13.974 63 HB ILE 10 HB ILE 10 -3.945 -5.481 -12.833 64 HG12 ILE 10 1HG1 ILE 10 -2.225 -7.006 -13.853 65 HG13 ILE 10 2HG1 ILE 10 -3.807 -7.042 -14.626 66 HG21 ILE 10 1HG2 ILE 10 -3.576 -3.723 -15.282 67 HG22 ILE 10 2HG2 ILE 10 -4.965 -4.823 -15.082 68 HG23 ILE 10 3HG2 ILE 10 -4.709 -3.498 -13.932 69 HD11 ILE 10 3HD1 ILE 10 -1.439 -5.467 -15.709 70 HD12 ILE 10 1HD1 ILE 10 -1.896 -7.100 -16.235 71 HD13 ILE 10 2HD1 ILE 10 -3.003 -5.743 -16.509 72 H CYS 11 H CYS 11 -1.421 -2.146 -14.003 73 HA CYS 11 HA CYS 11 -2.678 -0.573 -11.820 74 HB2 CYS 11 1HB CYS 11 -0.291 -0.196 -12.861 75 HB3 CYS 11 2HB CYS 11 -1.170 0.457 -14.238 76 H SER 12 H SER 12 -4.355 0.964 -12.440 77 HA SER 12 HA SER 12 -5.386 0.738 -15.210 78 HB2 SER 12 1HB SER 12 -7.651 0.298 -14.453 79 HB3 SER 12 2HB SER 12 -6.592 -0.972 -13.806 80 HG SER 12 HG SER 12 -7.767 -0.310 -12.088 81 H LEU 13 H LEU 13 -7.131 2.434 -15.526 82 HA LEU 13 HA LEU 13 -6.113 4.951 -14.813 83 HB2 LEU 13 1HB LEU 13 -8.089 5.885 -15.778 84 HB3 LEU 13 2HB LEU 13 -7.551 4.519 -16.742 85 HG LEU 13 HG LEU 13 -9.433 3.362 -15.057 86 HD11 LEU 13 1HD1 LEU 13 -10.149 5.561 -14.243 87 HD12 LEU 13 2HD1 LEU 13 -11.416 4.822 -15.236 88 HD13 LEU 13 3HD1 LEU 13 -10.404 6.116 -15.915 89 HD21 LEU 13 3HD2 LEU 13 -10.841 3.279 -17.061 90 HD22 LEU 13 1HD2 LEU 13 -9.145 2.925 -17.445 91 HD23 LEU 13 2HD2 LEU 13 -9.829 4.526 -17.831 92 H TYR 14 H TYR 14 -8.522 2.974 -13.118 93 HA TYR 14 HA TYR 14 -9.481 5.043 -11.411 94 HB2 TYR 14 1HB TYR 14 -9.262 2.095 -10.745 95 HB3 TYR 14 2HB TYR 14 -10.438 3.260 -10.120 96 HD1 TYR 14 HD1 TYR 14 -12.109 4.296 -11.831 97 HD2 TYR 14 HD2 TYR 14 -9.711 0.829 -12.695 98 HE1 TYR 14 HE1 TYR 14 -13.642 3.695 -13.706 99 HE2 TYR 14 HE2 TYR 14 -11.236 0.253 -14.589 100 HH TYR 14 HH TYR 14 -14.111 2.205 -15.379 101 H GLN 15 H GLN 15 -6.777 2.727 -11.111 102 HA GLN 15 HA GLN 15 -6.107 3.531 -8.417 103 HB2 GLN 15 1HB GLN 15 -4.286 2.305 -10.524 104 HB3 GLN 15 2HB GLN 15 -4.021 2.334 -8.778 105 HG2 GLN 15 1HG GLN 15 -6.115 0.788 -10.317 106 HG3 GLN 15 2HG GLN 15 -4.768 0.148 -9.382 107 HE21 GLN 15 2HE2 GLN 15 -4.839 0.622 -6.976 108 HE22 GLN 15 1HE2 GLN 15 -6.422 0.668 -6.230 109 H LEU 16 H LEU 16 -5.117 4.456 -11.681 110 HA LEU 16 HA LEU 16 -3.008 6.213 -10.955 111 HB2 LEU 16 1HB LEU 16 -4.823 6.098 -13.354 112 HB3 LEU 16 2HB LEU 16 -3.503 7.259 -13.223 113 HG LEU 16 HG LEU 16 -3.056 4.275 -12.922 114 HD11 LEU 16 1HD1 LEU 16 -2.850 5.911 -15.462 115 HD12 LEU 16 2HD1 LEU 16 -4.054 4.650 -15.118 116 HD13 LEU 16 3HD1 LEU 16 -2.345 4.217 -15.255 117 HD21 LEU 16 3HD2 LEU 16 -1.197 6.560 -13.668 118 HD22 LEU 16 1HD2 LEU 16 -0.753 4.846 -13.550 119 HD23 LEU 16 2HD2 LEU 16 -1.250 5.728 -12.097 120 H GLU 17 H GLU 17 -6.534 6.832 -11.162 121 HA GLU 17 HA GLU 17 -6.444 9.659 -10.910 122 HB2 GLU 17 1HB GLU 17 -8.391 7.589 -9.845 123 HB3 GLU 17 2HB GLU 17 -8.658 9.324 -9.672 124 HG2 GLU 17 1HG GLU 17 -8.786 9.622 -12.044 125 HG3 GLU 17 2HG GLU 17 -8.269 7.966 -12.339 126 HE2 GLU 17 HE2 GLU 17 -10.541 9.495 -10.377 127 H ASN 18 H ASN 18 -6.052 7.142 -8.443 128 HA ASN 18 HA ASN 18 -6.379 8.849 -6.176 129 HB2 ASN 18 1HB ASN 18 -4.894 6.230 -6.454 130 HB3 ASN 18 2HB ASN 18 -5.258 7.021 -4.922 131 HD21 ASN 18 2HD2 ASN 18 -6.146 4.484 -6.513 132 HD22 ASN 18 1HD2 ASN 18 -7.875 4.489 -6.270 133 H TYR 19 H TYR 19 -3.620 8.366 -8.280 134 HA TYR 19 HA TYR 19 -1.573 9.207 -6.400 135 HB2 TYR 19 1HB TYR 19 -1.778 9.154 -9.397 136 HB3 TYR 19 2HB TYR 19 -0.341 9.738 -8.590 137 HD1 TYR 19 HD1 TYR 19 -2.450 6.728 -9.114 138 HD2 TYR 19 HD2 TYR 19 1.302 8.249 -7.712 139 HE1 TYR 19 HE1 TYR 19 -1.544 4.416 -9.062 140 HE2 TYR 19 HE2 TYR 19 2.208 5.929 -7.649 141 HH TYR 19 HH TYR 19 0.238 3.105 -8.619 142 H CYS 20 H CYS 20 -4.032 10.880 -8.240 143 HA CYS 20 HA CYS 20 -2.564 13.425 -8.305 144 HB2 CYS 20 1HB CYS 20 -5.479 12.787 -8.895 145 HB3 CYS 20 2HB CYS 20 -4.663 14.318 -9.228 146 H ASN 21 H ASN 21 -3.220 15.301 -7.120 147 HA ASN 21 HA ASN 21 -3.982 14.767 -4.386 148 HB2 ASN 21 1HB ASN 21 -2.502 16.712 -5.069 149 HB3 ASN 21 2HB ASN 21 -3.913 17.470 -5.819 150 HD21 ASN 21 2HD2 ASN 21 -4.765 19.001 -4.581 151 HD22 ASN 21 1HD2 ASN 21 -4.893 18.923 -2.843 152 HXT ASN 21 H02 ASN 21 -7.266 15.106 -4.358 153 H1 PHE 1 3H0 PHE 1 -9.779 2.652 -22.234 154 H2 PHE 1 2H0 PHE 1 -9.270 4.185 -22.569 155 H3 PHE 1 1H0 PHE 1 -8.871 2.941 -23.577 156 HA PHE 1 HA PHE 1 -6.969 3.537 -22.259 157 HB2 PHE 1 1HB PHE 1 -8.482 4.392 -20.386 158 HB3 PHE 1 2HB PHE 1 -8.681 2.707 -19.891 159 HD1 PHE 1 HD2 PHE 1 -6.283 5.529 -20.184 160 HD2 PHE 1 HD1 PHE 1 -6.898 1.516 -18.739 161 HE1 PHE 1 HE2 PHE 1 -4.177 5.682 -18.863 162 HE2 PHE 1 HE1 PHE 1 -4.791 1.663 -17.426 163 HZ PHE 1 HZ PHE 1 -3.422 3.741 -17.493 164 H VAL 2 H VAL 2 -5.437 1.859 -21.662 165 HA VAL 2 HA VAL 2 -6.566 -0.914 -21.707 166 HB VAL 2 HB VAL 2 -4.032 0.058 -23.144 167 HG11 VAL 2 1HG1 VAL 2 -3.766 -2.225 -22.236 168 HG12 VAL 2 2HG1 VAL 2 -5.297 -2.722 -22.998 169 HG13 VAL 2 3HG1 VAL 2 -3.899 -2.275 -24.004 170 HG21 VAL 2 3HG2 VAL 2 -6.002 0.720 -24.425 171 HG22 VAL 2 1HG2 VAL 2 -5.230 -0.655 -25.231 172 HG23 VAL 2 2HG2 VAL 2 -6.705 -0.907 -24.266 173 H ASN 3 H ASN 3 -5.754 -2.108 -20.010 174 HA ASN 3 HA ASN 3 -3.957 -0.692 -18.143 175 HB2 ASN 3 1HB ASN 3 -5.315 -3.386 -17.927 176 HB3 ASN 3 2HB ASN 3 -4.398 -2.555 -16.672 177 HD21 ASN 3 2HD2 ASN 3 -7.209 -3.433 -16.708 178 HD22 ASN 3 1HD2 ASN 3 -8.162 -1.997 -16.427 179 H GLN 4 H GLN 4 -1.920 -1.275 -17.614 180 HA GLN 4 HA GLN 4 -0.974 -3.972 -18.011 181 HB2 GLN 4 1HB GLN 4 0.952 -3.448 -19.399 182 HB3 GLN 4 2HB GLN 4 -0.528 -3.132 -20.292 183 HG2 GLN 4 1HG GLN 4 1.177 -1.004 -18.971 184 HG3 GLN 4 2HG GLN 4 1.267 -1.453 -20.672 185 HE21 GLN 4 2HE2 GLN 4 -1.088 -1.491 -21.712 186 HE22 GLN 4 1HE2 GLN 4 -2.012 -0.039 -21.391 187 H HIS 5 H HIS 5 1.148 -4.059 -17.052 188 HA HIS 5 HA HIS 5 1.325 -2.703 -14.546 189 HB2 HIS 5 1HB HIS 5 3.628 -4.040 -16.023 190 HB3 HIS 5 2HB HIS 5 3.458 -3.803 -14.280 191 HD1 HIS 5 HD1 HIS 5 0.793 -4.926 -13.594 192 HD2 HIS 5 HD2 HIS 5 3.248 -6.722 -16.410 193 HE1 HIS 5 HE1 HIS 5 0.077 -7.383 -13.767 194 HE2 HIS 5 HE2 HIS 5 1.591 -8.444 -15.484 195 H LEU 6 H LEU 6 2.081 -0.729 -14.030 196 HA LEU 6 HA LEU 6 3.789 0.731 -15.977 197 HB2 LEU 6 1HB LEU 6 1.303 1.347 -14.456 198 HB3 LEU 6 2HB LEU 6 2.500 2.615 -14.510 199 HG LEU 6 HG LEU 6 1.946 3.234 -16.499 200 HD11 LEU 6 1HD1 LEU 6 1.492 0.442 -17.505 201 HD12 LEU 6 2HD1 LEU 6 2.963 1.400 -17.754 202 HD13 LEU 6 3HD1 LEU 6 1.438 1.921 -18.486 203 HD21 LEU 6 3HD2 LEU 6 -0.225 2.980 -15.382 204 HD22 LEU 6 1HD2 LEU 6 -0.399 1.369 -16.125 205 HD23 LEU 6 2HD2 LEU 6 -0.374 2.821 -17.146 206 H CYS 7 H CYS 7 5.735 1.175 -15.185 207 HA CYS 7 HA CYS 7 5.947 2.050 -12.363 208 HB2 CYS 7 1HB CYS 7 6.543 -0.498 -12.841 209 HB3 CYS 7 2HB CYS 7 8.036 0.193 -13.488 210 H GLY 8 H GLY 8 7.964 3.297 -12.020 211 HA2 GLY 8 1HA GLY 8 9.538 4.852 -12.695 212 HA3 GLY 8 2HA GLY 8 9.772 3.849 -14.137 213 H SER 9 H SER 9 9.892 5.377 -15.705 214 HA SER 9 HA SER 9 8.316 7.726 -15.861 215 HB2 SER 9 1HB SER 9 9.026 7.711 -18.262 216 HB3 SER 9 2HB SER 9 10.366 7.463 -17.120 217 HG SER 9 HG SER 9 10.448 5.966 -18.838 218 H HIS 10 H HIS 10 7.541 4.402 -16.853 219 HA HIS 10 HA HIS 10 5.420 5.097 -18.665 220 HB2 HIS 10 1HB HIS 10 5.919 2.655 -16.940 221 HB3 HIS 10 2HB HIS 10 4.488 2.829 -17.947 222 HD1 HIS 10 HD1 HIS 10 4.658 1.725 -20.146 223 HD2 HIS 10 HD2 HIS 10 8.383 3.090 -18.788 224 HE1 HIS 10 HE1 HIS 10 6.372 1.053 -21.894 225 HE2 HIS 10 HE2 HIS 10 8.618 1.882 -21.064 226 H LEU 11 H LEU 11 5.560 4.761 -15.128 227 HA LEU 11 HA LEU 11 2.711 4.853 -14.736 228 HB2 LEU 11 1HB LEU 11 4.421 4.042 -13.086 229 HB3 LEU 11 2HB LEU 11 4.965 5.700 -12.882 230 HG LEU 11 HG LEU 11 2.733 6.300 -11.959 231 HD11 LEU 11 1HD1 LEU 11 2.246 3.296 -12.082 232 HD12 LEU 11 2HD1 LEU 11 1.372 4.538 -13.005 233 HD13 LEU 11 3HD1 LEU 11 1.223 4.486 -11.242 234 HD21 LEU 11 3HD2 LEU 11 4.158 3.977 -10.600 235 HD22 LEU 11 1HD2 LEU 11 3.112 5.177 -9.808 236 HD23 LEU 11 2HD2 LEU 11 4.649 5.689 -10.530 237 H VAL 12 H VAL 12 5.303 7.294 -14.805 238 HA VAL 12 HA VAL 12 3.684 9.533 -14.105 239 HB VAL 12 HB VAL 12 6.219 9.409 -15.812 240 HG11 VAL 12 1HG1 VAL 12 6.556 11.754 -15.151 241 HG12 VAL 12 2HG1 VAL 12 5.058 11.557 -16.077 242 HG13 VAL 12 3HG1 VAL 12 4.990 11.745 -14.310 243 HG21 VAL 12 3HG2 VAL 12 7.376 9.993 -13.668 244 HG22 VAL 12 1HG2 VAL 12 5.830 9.797 -12.809 245 HG23 VAL 12 2HG2 VAL 12 6.596 8.403 -13.610 246 H GLU 13 H GLU 13 4.567 8.159 -17.324 247 HA GLU 13 HA GLU 13 3.149 10.203 -18.764 248 HB2 GLU 13 1HB GLU 13 3.939 7.396 -19.597 249 HB3 GLU 13 2HB GLU 13 3.276 8.631 -20.681 250 HG2 GLU 13 1HG GLU 13 5.914 8.737 -19.193 251 HG3 GLU 13 2HG GLU 13 5.674 8.638 -20.940 252 HE2 GLU 13 HE2 GLU 13 4.130 10.364 -21.555 253 H ALA 14 H ALA 14 2.100 7.209 -17.251 254 HA ALA 14 HA ALA 14 -0.437 7.130 -18.648 255 HB1 ALA 14 3HB ALA 14 -1.048 5.490 -16.978 256 HB2 ALA 14 1HB ALA 14 0.617 5.176 -17.509 257 HB3 ALA 14 2HB ALA 14 0.319 5.968 -15.942 258 H LEU 15 H LEU 15 0.798 8.561 -15.620 259 HA LEU 15 HA LEU 15 -1.737 9.446 -14.641 260 HB2 LEU 15 1HB LEU 15 1.109 10.371 -14.188 261 HB3 LEU 15 2HB LEU 15 -0.259 11.152 -13.408 262 HG LEU 15 HG LEU 15 0.345 8.205 -13.096 263 HD11 LEU 15 1HD1 LEU 15 1.299 8.701 -10.935 264 HD12 LEU 15 2HD1 LEU 15 1.022 10.441 -11.167 265 HD13 LEU 15 3HD1 LEU 15 2.201 9.581 -12.185 266 HD21 LEU 15 3HD2 LEU 15 -1.179 8.345 -11.260 267 HD22 LEU 15 1HD2 LEU 15 -1.981 8.943 -12.708 268 HD23 LEU 15 2HD2 LEU 15 -1.379 10.097 -11.503 269 H TYR 16 H TYR 16 0.583 10.934 -16.895 270 HA TYR 16 HA TYR 16 -0.603 13.515 -17.039 271 HB2 TYR 16 1HB TYR 16 0.929 11.790 -18.980 272 HB3 TYR 16 2HB TYR 16 0.113 13.232 -19.577 273 HD1 TYR 16 HD1 TYR 16 0.621 15.495 -18.362 274 HD2 TYR 16 HD2 TYR 16 3.124 12.011 -18.078 275 HE1 TYR 16 HE1 TYR 16 2.550 16.920 -17.670 276 HE2 TYR 16 HE2 TYR 16 5.045 13.435 -17.412 277 HH TYR 16 HH TYR 16 4.757 16.975 -17.070 278 H LEU 17 H LEU 17 -1.472 10.460 -18.695 279 HA LEU 17 HA LEU 17 -3.512 11.719 -20.298 280 HB2 LEU 17 1HB LEU 17 -3.144 8.828 -19.472 281 HB3 LEU 17 2HB LEU 17 -4.280 9.411 -20.679 282 HG LEU 17 HG LEU 17 -1.262 9.681 -20.904 283 HD11 LEU 17 1HD1 LEU 17 -3.143 7.645 -22.161 284 HD12 LEU 17 2HD1 LEU 17 -1.950 7.321 -20.879 285 HD13 LEU 17 3HD1 LEU 17 -1.403 7.810 -22.496 286 HD21 LEU 17 3HD2 LEU 17 -1.756 10.104 -23.307 287 HD22 LEU 17 1HD2 LEU 17 -2.451 11.346 -22.250 288 HD23 LEU 17 2HD2 LEU 17 -3.497 10.083 -22.938 289 H VAL 18 H VAL 18 -3.616 9.889 -17.222 290 HA VAL 18 HA VAL 18 -6.509 9.801 -17.230 291 HB VAL 18 HB VAL 18 -4.498 9.284 -14.988 292 HG11 VAL 18 1HG1 VAL 18 -6.363 8.010 -13.915 293 HG12 VAL 18 2HG1 VAL 18 -6.692 9.746 -14.005 294 HG13 VAL 18 3HG1 VAL 18 -7.478 8.635 -15.152 295 HG21 VAL 18 3HG2 VAL 18 -4.191 7.763 -16.832 296 HG22 VAL 18 1HG2 VAL 18 -5.037 6.896 -15.548 297 HG23 VAL 18 2HG2 VAL 18 -5.938 7.472 -16.962 298 H CYS 19 H CYS 19 -4.100 11.857 -15.551 299 HA CYS 19 HA CYS 19 -6.350 13.304 -14.311 300 HB2 CYS 19 1HB CYS 19 -3.597 12.943 -13.670 301 HB3 CYS 19 2HB CYS 19 -3.924 14.683 -13.836 302 H GLY 20 H GLY 20 -4.481 13.504 -17.227 303 HA2 GLY 20 1HA GLY 20 -4.679 15.008 -18.948 304 HA3 GLY 20 2HA GLY 20 -6.157 15.592 -18.172 305 H GLU 21 H GLU 21 -5.842 17.704 -18.657 306 HA GLU 21 HA GLU 21 -3.394 19.129 -18.212 307 HB2 GLU 21 1HB GLU 21 -6.261 20.126 -18.461 308 HB3 GLU 21 2HB GLU 21 -4.823 21.139 -18.523 309 HG2 GLU 21 1HG GLU 21 -5.326 20.877 -20.776 310 HG3 GLU 21 2HG GLU 21 -4.081 19.645 -20.523 311 HE2 GLU 21 HE2 GLU 21 -5.199 19.145 -22.454 312 H ARG 22 H ARG 22 -5.591 17.957 -15.897 313 HA ARG 22 HA ARG 22 -5.525 20.193 -14.038 314 HB2 ARG 22 1HB ARG 22 -6.002 17.224 -13.594 315 HB3 ARG 22 2HB ARG 22 -6.257 18.478 -12.381 316 HG2 ARG 22 1HG ARG 22 -8.022 19.487 -13.693 317 HG3 ARG 22 2HG ARG 22 -7.724 18.375 -15.042 318 HD2 ARG 22 1HD ARG 22 -8.539 17.460 -12.265 319 HD3 ARG 22 2HD ARG 22 -9.691 17.787 -13.579 320 HE ARG 22 HE ARG 22 -7.691 16.003 -14.548 321 HH11 ARG 22 1HH1 ARG 22 -10.406 15.965 -12.285 322 HH12 ARG 22 2HH1 ARG 22 -10.711 14.267 -12.536 323 HH21 ARG 22 1HH2 ARG 22 -8.158 13.844 -14.831 324 HH22 ARG 22 2HH2 ARG 22 -9.455 13.092 -13.951 325 H GLY 23 H GLY 23 -3.317 17.656 -14.923 326 HA2 GLY 23 1HA GLY 23 -1.095 17.443 -14.257 327 HA3 GLY 23 2HA GLY 23 -1.338 18.716 -13.048 328 H PHE 24 H PHE 24 0.130 16.785 -12.135 329 HA PHE 24 HA PHE 24 -1.452 15.433 -10.097 330 HB2 PHE 24 1HB PHE 24 -0.716 13.172 -10.690 331 HB3 PHE 24 2HB PHE 24 -1.705 13.845 -11.989 332 HD1 PHE 24 HD2 PHE 24 -0.699 14.553 -14.112 333 HD2 PHE 24 HD1 PHE 24 1.635 12.698 -11.028 334 HE1 PHE 24 HE2 PHE 24 1.120 14.140 -15.741 335 HE2 PHE 24 HE1 PHE 24 3.452 12.240 -12.664 336 HZ PHE 24 HZ PHE 24 3.195 12.975 -15.039 337 H PHE 25 H PHE 25 0.379 13.977 -8.884 338 HA PHE 25 HA PHE 25 3.041 15.218 -9.282 339 HB2 PHE 25 1HB PHE 25 3.370 15.608 -6.940 340 HB3 PHE 25 2HB PHE 25 1.871 16.427 -7.401 341 HD1 PHE 25 HD1 PHE 25 -0.336 15.493 -6.675 342 HD2 PHE 25 HD2 PHE 25 3.388 13.769 -5.386 343 HE1 PHE 25 HE1 PHE 25 -1.535 14.244 -4.880 344 HE2 PHE 25 HE2 PHE 25 2.195 12.524 -3.589 345 HZ PHE 25 HZ PHE 25 -0.275 12.753 -3.344 346 H TYR 26 H TYR 26 4.719 13.874 -8.150 347 HA TYR 26 HA TYR 26 3.901 11.133 -7.467 348 HB2 TYR 26 1HB TYR 26 4.265 11.024 -9.925 349 HB3 TYR 26 2HB TYR 26 5.861 11.761 -9.722 350 HD1 TYR 26 HD2 TYR 26 3.858 8.808 -8.469 351 HD2 TYR 26 HD1 TYR 26 7.734 10.337 -9.559 352 HE1 TYR 26 HE2 TYR 26 4.864 6.555 -8.082 353 HE2 TYR 26 HE1 TYR 26 8.720 8.072 -9.197 354 HH TYR 26 HH TYR 26 8.343 5.916 -8.570 355 H THR 27 H THR 27 5.533 10.197 -6.103 356 HA THR 27 HA THR 27 7.605 12.180 -5.250 357 HB THR 27 HB THR 27 7.349 11.126 -2.982 358 HG1 THR 27 HG1 THR 27 5.021 10.214 -2.918 359 HG21 THR 27 1HG2 THR 27 6.262 13.295 -3.636 360 HG22 THR 27 2HG2 THR 27 5.353 12.391 -2.405 361 HG23 THR 27 3HG2 THR 27 4.808 12.378 -4.097 362 HA PRO 28 HA PRO 28 9.858 8.392 -6.504 363 HB2 PRO 28 1HB PRO 28 12.008 9.601 -7.654 364 HB3 PRO 28 2HB PRO 28 10.440 9.463 -8.510 365 HG2 PRO 28 1HG PRO 28 11.539 11.777 -6.943 366 HG3 PRO 28 2HG PRO 28 10.859 11.760 -8.602 367 HD2 PRO 28 1HD PRO 28 9.385 12.473 -6.439 368 HD3 PRO 28 2HD PRO 28 8.659 11.575 -7.812 369 H LYS 29 H LYS 29 12.147 7.704 -5.924 370 HA LYS 29 HA LYS 29 13.290 9.219 -3.631 371 HB2 LYS 29 1HB LYS 29 12.760 6.214 -3.706 372 HB3 LYS 29 2HB LYS 29 13.669 7.055 -2.444 373 HG2 LYS 29 1HG LYS 29 10.738 7.573 -3.079 374 HG3 LYS 29 2HG LYS 29 11.299 6.467 -1.819 375 HD2 LYS 29 1HD LYS 29 12.287 8.243 -0.545 376 HD3 LYS 29 2HD LYS 29 12.112 9.401 -1.873 377 HE2 LYS 29 1HE LYS 29 9.760 8.090 -0.471 378 HE3 LYS 29 2HE LYS 29 10.429 9.681 -0.040 379 HZ1 LYS 29 3HZ LYS 29 10.031 10.326 -2.405 380 HZ2 LYS 29 1HZ LYS 29 8.646 10.037 -1.550 381 HZ3 LYS 29 2HZ LYS 29 9.201 8.923 -2.634 382 H THR 30 H THR 30 15.448 9.371 -3.814 383 HA THR 30 HA THR 30 16.884 7.654 -5.785 384 HB THR 30 HB THR 30 18.106 9.814 -6.465 385 HG1 THR 30 HG1 THR 30 17.395 11.107 -4.721 386 HG21 THR 30 1HG2 THR 30 16.376 10.546 -8.053 387 HG22 THR 30 2HG2 THR 30 15.091 9.814 -7.085 388 HG23 THR 30 3HG2 THR 30 16.274 8.783 -7.914 389 HXT THR 30 H02 THR 30 19.505 7.710 -3.731 Start of MODEL 28 1 H1 GLY 1 3H0 GLY 1 3.091 -0.143 -0.028 2 H2 GLY 1 2H0 GLY 1 1.927 -0.766 -1.016 3 H3 GLY 1 1H0 GLY 1 3.440 -0.480 -1.605 4 HA2 GLY 1 1HA GLY 1 1.570 1.588 -0.651 5 HA3 GLY 1 2HA GLY 1 3.187 1.877 -1.325 6 H ILE 2 H ILE 2 1.003 3.137 -2.529 7 HA ILE 2 HA ILE 2 -0.318 1.587 -4.482 8 HB ILE 2 HB ILE 2 -0.990 3.854 -3.681 9 HG12 ILE 2 1HG1 ILE 2 -0.762 3.616 -6.697 10 HG13 ILE 2 2HG1 ILE 2 -1.907 2.716 -5.705 11 HG21 ILE 2 1HG2 ILE 2 -0.013 5.888 -4.662 12 HG22 ILE 2 2HG2 ILE 2 1.241 4.980 -3.806 13 HG23 ILE 2 3HG2 ILE 2 1.157 4.924 -5.582 14 HD11 ILE 2 3HD1 ILE 2 -2.896 4.891 -4.943 15 HD12 ILE 2 1HD1 ILE 2 -1.814 5.736 -6.083 16 HD13 ILE 2 2HD1 ILE 2 -3.039 4.603 -6.691 17 H VAL 3 H VAL 3 2.895 3.070 -4.624 18 HA VAL 3 HA VAL 3 3.258 2.868 -7.430 19 HB VAL 3 HB VAL 3 5.374 2.604 -5.244 20 HG11 VAL 3 1HG1 VAL 3 5.583 3.380 -8.196 21 HG12 VAL 3 2HG1 VAL 3 6.908 3.501 -7.017 22 HG13 VAL 3 3HG1 VAL 3 6.240 1.907 -7.445 23 HG21 VAL 3 3HG2 VAL 3 4.239 5.057 -6.662 24 HG22 VAL 3 1HG2 VAL 3 4.128 4.679 -4.925 25 HG23 VAL 3 2HG2 VAL 3 5.698 5.066 -5.646 26 H GLU 4 H GLU 4 3.778 0.479 -4.803 27 HA GLU 4 HA GLU 4 4.999 -1.496 -6.482 28 HB2 GLU 4 1HB GLU 4 3.450 -1.637 -3.882 29 HB3 GLU 4 2HB GLU 4 3.944 -3.097 -4.733 30 HG2 GLU 4 1HG GLU 4 5.620 -2.752 -3.172 31 HG3 GLU 4 2HG GLU 4 6.296 -2.194 -4.709 32 HE2 GLU 4 HE2 GLU 4 7.658 -1.183 -3.379 33 H GLN 5 H GLN 5 1.586 -0.881 -5.581 34 HA GLN 5 HA GLN 5 0.555 -3.232 -6.752 35 HB2 GLN 5 1HB GLN 5 -0.914 -0.579 -6.728 36 HB3 GLN 5 2HB GLN 5 -1.596 -2.204 -6.667 37 HG2 GLN 5 1HG GLN 5 -0.185 -0.662 -4.488 38 HG3 GLN 5 2HG GLN 5 -1.817 -1.322 -4.476 39 HE21 GLN 5 2HE2 GLN 5 -1.837 -3.831 -4.761 40 HE22 GLN 5 1HE2 GLN 5 -0.670 -4.684 -3.778 41 H CYS 6 H CYS 6 1.230 -0.037 -8.185 42 HA CYS 6 HA CYS 6 0.065 -0.838 -10.742 43 HB2 CYS 6 1HB CYS 6 1.825 1.539 -10.042 44 HB3 CYS 6 2HB CYS 6 0.905 1.324 -11.535 45 H CYS 7 H CYS 7 3.267 -0.867 -9.285 46 HA CYS 7 HA CYS 7 4.678 -1.152 -11.777 47 HB2 CYS 7 1HB CYS 7 5.612 -0.411 -9.527 48 HB3 CYS 7 2HB CYS 7 5.545 -2.101 -9.024 49 H THR 8 H THR 8 3.573 -3.476 -9.259 50 HA THR 8 HA THR 8 4.530 -5.707 -10.904 51 HB THR 8 HB THR 8 4.792 -5.584 -8.379 52 HG1 THR 8 HG1 THR 8 3.604 -7.796 -9.711 53 HG21 THR 8 1HG2 THR 8 1.988 -6.702 -8.250 54 HG22 THR 8 2HG2 THR 8 2.278 -4.960 -8.050 55 HG23 THR 8 3HG2 THR 8 3.031 -6.113 -6.934 56 H SER 9 H SER 9 1.468 -4.079 -10.497 57 HA SER 9 HA SER 9 0.265 -6.235 -12.134 58 HB2 SER 9 1HB SER 9 -0.241 -6.581 -9.630 59 HB3 SER 9 2HB SER 9 -1.205 -5.091 -9.715 60 HG SER 9 HG SER 9 -2.347 -7.146 -10.093 61 H ILE 10 H ILE 10 -2.322 -5.305 -12.346 62 HA ILE 10 HA ILE 10 -1.675 -3.037 -14.128 63 HB ILE 10 HB ILE 10 -4.267 -4.632 -13.894 64 HG12 ILE 10 1HG1 ILE 10 -2.356 -6.086 -14.521 65 HG13 ILE 10 2HG1 ILE 10 -3.587 -5.951 -15.770 66 HG21 ILE 10 1HG2 ILE 10 -4.685 -3.721 -16.211 67 HG22 ILE 10 2HG2 ILE 10 -4.671 -2.479 -14.952 68 HG23 ILE 10 3HG2 ILE 10 -3.257 -2.674 -16.013 69 HD11 ILE 10 3HD1 ILE 10 -2.202 -4.506 -17.102 70 HD12 ILE 10 1HD1 ILE 10 -1.003 -4.366 -15.804 71 HD13 ILE 10 2HD1 ILE 10 -1.246 -5.919 -16.632 72 H CYS 11 H CYS 11 -1.955 -1.013 -13.469 73 HA CYS 11 HA CYS 11 -4.161 -0.419 -11.549 74 HB2 CYS 11 1HB CYS 11 -1.658 1.034 -12.385 75 HB3 CYS 11 2HB CYS 11 -3.049 1.943 -11.782 76 H SER 12 H SER 12 -6.013 -0.211 -12.610 77 HA SER 12 HA SER 12 -6.187 0.899 -15.304 78 HB2 SER 12 1HB SER 12 -7.843 -0.737 -14.410 79 HB3 SER 12 2HB SER 12 -8.349 0.459 -13.199 80 HG SER 12 HG SER 12 -9.604 0.308 -15.238 81 H LEU 13 H LEU 13 -7.646 2.905 -15.598 82 HA LEU 13 HA LEU 13 -6.337 5.140 -14.571 83 HB2 LEU 13 1HB LEU 13 -8.073 6.458 -15.552 84 HB3 LEU 13 2HB LEU 13 -7.718 5.093 -16.593 85 HG LEU 13 HG LEU 13 -9.848 4.117 -15.153 86 HD11 LEU 13 1HD1 LEU 13 -10.336 7.092 -15.624 87 HD12 LEU 13 2HD1 LEU 13 -10.233 6.285 -14.039 88 HD13 LEU 13 3HD1 LEU 13 -11.562 5.896 -15.145 89 HD21 LEU 13 3HD2 LEU 13 -9.526 3.988 -17.575 90 HD22 LEU 13 1HD2 LEU 13 -9.915 5.720 -17.735 91 HD23 LEU 13 2HD2 LEU 13 -11.156 4.569 -17.183 92 H TYR 14 H TYR 14 -9.074 3.442 -13.112 93 HA TYR 14 HA TYR 14 -9.885 5.523 -11.349 94 HB2 TYR 14 1HB TYR 14 -10.006 2.550 -10.788 95 HB3 TYR 14 2HB TYR 14 -11.104 3.809 -10.212 96 HD1 TYR 14 HD1 TYR 14 -12.535 5.048 -12.021 97 HD2 TYR 14 HD2 TYR 14 -10.436 1.368 -12.784 98 HE1 TYR 14 HE1 TYR 14 -13.962 4.643 -14.029 99 HE2 TYR 14 HE2 TYR 14 -11.864 0.981 -14.800 100 HH TYR 14 HH TYR 14 -14.446 3.234 -15.772 101 H GLN 15 H GLN 15 -7.431 2.970 -11.059 102 HA GLN 15 HA GLN 15 -6.802 3.564 -8.271 103 HB2 GLN 15 1HB GLN 15 -5.327 2.043 -10.458 104 HB3 GLN 15 2HB GLN 15 -4.782 2.144 -8.784 105 HG2 GLN 15 1HG GLN 15 -7.442 0.967 -9.666 106 HG3 GLN 15 2HG GLN 15 -5.978 0.035 -9.317 107 HE21 GLN 15 2HE2 GLN 15 -8.835 0.678 -8.026 108 HE22 GLN 15 1HE2 GLN 15 -8.422 0.749 -6.331 109 H LEU 16 H LEU 16 -5.582 4.407 -11.479 110 HA LEU 16 HA LEU 16 -3.245 5.778 -10.599 111 HB2 LEU 16 1HB LEU 16 -4.874 5.952 -13.133 112 HB3 LEU 16 2HB LEU 16 -3.363 6.828 -12.898 113 HG LEU 16 HG LEU 16 -3.624 3.807 -12.692 114 HD11 LEU 16 1HD1 LEU 16 -4.113 4.544 -14.971 115 HD12 LEU 16 2HD1 LEU 16 -2.561 3.701 -14.885 116 HD13 LEU 16 3HD1 LEU 16 -2.595 5.477 -15.004 117 HD21 LEU 16 3HD2 LEU 16 -1.138 3.869 -12.955 118 HD22 LEU 16 1HD2 LEU 16 -1.695 4.636 -11.460 119 HD23 LEU 16 2HD2 LEU 16 -1.201 5.644 -12.839 120 H GLU 17 H GLU 17 -6.599 6.915 -10.967 121 HA GLU 17 HA GLU 17 -6.170 9.703 -10.857 122 HB2 GLU 17 1HB GLU 17 -8.337 7.889 -9.794 123 HB3 GLU 17 2HB GLU 17 -8.398 9.623 -9.486 124 HG2 GLU 17 1HG GLU 17 -8.096 8.605 -12.305 125 HG3 GLU 17 2HG GLU 17 -9.678 8.624 -11.522 126 HE2 GLU 17 HE2 GLU 17 -7.829 10.178 -13.406 127 H ASN 18 H ASN 18 -5.832 7.340 -8.246 128 HA ASN 18 HA ASN 18 -6.014 9.129 -6.045 129 HB2 ASN 18 1HB ASN 18 -4.490 6.539 -6.382 130 HB3 ASN 18 2HB ASN 18 -4.668 7.386 -4.841 131 HD21 ASN 18 2HD2 ASN 18 -5.809 4.872 -6.509 132 HD22 ASN 18 1HD2 ASN 18 -7.453 4.830 -5.907 133 H TYR 19 H TYR 19 -3.379 8.653 -8.323 134 HA TYR 19 HA TYR 19 -1.261 9.732 -6.625 135 HB2 TYR 19 1HB TYR 19 -1.630 9.348 -9.590 136 HB3 TYR 19 2HB TYR 19 -0.182 10.078 -8.936 137 HD1 TYR 19 HD2 TYR 19 -2.105 6.908 -9.159 138 HD2 TYR 19 HD1 TYR 19 1.542 8.782 -7.878 139 HE1 TYR 19 HE2 TYR 19 -1.047 4.675 -8.917 140 HE2 TYR 19 HE1 TYR 19 2.597 6.537 -7.635 141 HH TYR 19 HH TYR 19 0.815 3.518 -8.353 142 H CYS 20 H CYS 20 -4.011 11.135 -7.992 143 HA CYS 20 HA CYS 20 -2.671 13.775 -8.390 144 HB2 CYS 20 1HB CYS 20 -5.401 12.865 -9.359 145 HB3 CYS 20 2HB CYS 20 -4.493 14.302 -9.881 146 H ASN 21 H ASN 21 -3.438 15.506 -7.206 147 HA ASN 21 HA ASN 21 -4.259 16.631 -5.420 148 HB2 ASN 21 1HB ASN 21 -6.443 16.639 -6.328 149 HB3 ASN 21 2HB ASN 21 -6.706 14.938 -5.958 150 HD21 ASN 21 2HD2 ASN 21 -6.249 18.152 -4.488 151 HD22 ASN 21 1HD2 ASN 21 -7.093 17.756 -3.016 152 HXT ASN 21 H02 ASN 21 -4.947 13.403 -4.887 153 H1 PHE 1 3H0 PHE 1 -9.912 1.144 -21.793 154 H2 PHE 1 2H0 PHE 1 -9.993 2.792 -21.719 155 H3 PHE 1 1H0 PHE 1 -9.309 2.054 -23.029 156 HA PHE 1 HA PHE 1 -7.589 2.952 -21.633 157 HB2 PHE 1 1HB PHE 1 -9.064 2.755 -19.572 158 HB3 PHE 1 2HB PHE 1 -8.671 1.033 -19.534 159 HD1 PHE 1 HD2 PHE 1 -7.209 4.468 -19.317 160 HD2 PHE 1 HD1 PHE 1 -6.606 0.263 -18.581 161 HE1 PHE 1 HE2 PHE 1 -5.129 4.991 -18.056 162 HE2 PHE 1 HE1 PHE 1 -4.522 0.786 -17.317 163 HZ PHE 1 HZ PHE 1 -3.778 3.151 -17.062 164 H VAL 2 H VAL 2 -5.522 1.842 -21.563 165 HA VAL 2 HA VAL 2 -5.697 -0.920 -22.707 166 HB VAL 2 HB VAL 2 -3.412 1.117 -22.848 167 HG11 VAL 2 1HG1 VAL 2 -3.737 -1.623 -24.164 168 HG12 VAL 2 2HG1 VAL 2 -2.418 -0.477 -24.486 169 HG13 VAL 2 3HG1 VAL 2 -2.576 -1.207 -22.878 170 HG21 VAL 2 3HG2 VAL 2 -5.417 0.221 -24.971 171 HG22 VAL 2 1HG2 VAL 2 -5.275 1.845 -24.257 172 HG23 VAL 2 2HG2 VAL 2 -3.977 1.218 -25.285 173 H ASN 3 H ASN 3 -5.123 -2.526 -21.348 174 HA ASN 3 HA ASN 3 -4.111 -1.874 -18.709 175 HB2 ASN 3 1HB ASN 3 -4.476 -4.525 -20.146 176 HB3 ASN 3 2HB ASN 3 -3.887 -4.371 -18.485 177 HD21 ASN 3 2HD2 ASN 3 -6.313 -5.691 -19.452 178 HD22 ASN 3 1HD2 ASN 3 -7.645 -4.889 -18.656 179 H GLN 4 H GLN 4 -2.115 -1.756 -18.015 180 HA GLN 4 HA GLN 4 -0.009 -3.426 -19.099 181 HB2 GLN 4 1HB GLN 4 1.499 -1.459 -19.560 182 HB3 GLN 4 2HB GLN 4 0.192 -1.628 -20.734 183 HG2 GLN 4 1HG GLN 4 -1.086 0.147 -19.574 184 HG3 GLN 4 2HG GLN 4 0.236 0.336 -18.423 185 HE21 GLN 4 2HE2 GLN 4 -1.098 1.383 -21.303 186 HE22 GLN 4 1HE2 GLN 4 0.274 2.280 -21.914 187 H HIS 5 H HIS 5 1.653 -3.490 -17.536 188 HA HIS 5 HA HIS 5 1.042 -2.431 -14.871 189 HB2 HIS 5 1HB HIS 5 3.651 -3.564 -15.973 190 HB3 HIS 5 2HB HIS 5 3.262 -3.282 -14.271 191 HD1 HIS 5 HD1 HIS 5 0.618 -4.562 -13.839 192 HD2 HIS 5 HD2 HIS 5 3.473 -6.257 -16.312 193 HE1 HIS 5 HE1 HIS 5 0.059 -7.057 -14.034 194 HE2 HIS 5 HE2 HIS 5 1.827 -8.063 -15.525 195 H LEU 6 H LEU 6 2.020 -0.620 -13.897 196 HA LEU 6 HA LEU 6 3.463 1.208 -15.781 197 HB2 LEU 6 1HB LEU 6 1.301 1.683 -13.729 198 HB3 LEU 6 2HB LEU 6 2.420 2.939 -14.159 199 HG LEU 6 HG LEU 6 0.769 3.592 -15.442 200 HD11 LEU 6 1HD1 LEU 6 2.515 3.057 -17.065 201 HD12 LEU 6 2HD1 LEU 6 0.905 2.895 -17.775 202 HD13 LEU 6 3HD1 LEU 6 1.814 1.444 -17.308 203 HD21 LEU 6 3HD2 LEU 6 -0.818 1.959 -14.669 204 HD22 LEU 6 1HD2 LEU 6 -0.167 0.762 -15.810 205 HD23 LEU 6 2HD2 LEU 6 -0.983 2.222 -16.414 206 H CYS 7 H CYS 7 5.533 1.295 -15.174 207 HA CYS 7 HA CYS 7 6.068 1.983 -12.342 208 HB2 CYS 7 1HB CYS 7 6.354 -0.582 -13.024 209 HB3 CYS 7 2HB CYS 7 7.878 0.001 -13.701 210 H GLY 8 H GLY 8 8.095 3.156 -12.113 211 HA2 GLY 8 1HA GLY 8 9.715 4.637 -12.850 212 HA3 GLY 8 2HA GLY 8 9.839 3.646 -14.313 213 H SER 9 H SER 9 9.998 5.309 -15.790 214 HA SER 9 HA SER 9 8.393 7.643 -15.830 215 HB2 SER 9 1HB SER 9 10.466 7.374 -17.125 216 HB3 SER 9 2HB SER 9 9.680 6.153 -18.150 217 HG SER 9 HG SER 9 9.736 8.432 -18.916 218 H HIS 10 H HIS 10 7.640 4.362 -16.978 219 HA HIS 10 HA HIS 10 5.480 5.054 -18.714 220 HB2 HIS 10 1HB HIS 10 6.461 2.647 -17.357 221 HB3 HIS 10 2HB HIS 10 4.702 2.680 -17.456 222 HD1 HIS 10 HD1 HIS 10 3.604 2.223 -19.760 223 HD2 HIS 10 HD2 HIS 10 7.789 2.611 -19.904 224 HE1 HIS 10 HE1 HIS 10 4.338 1.524 -22.088 225 HE2 HIS 10 HE2 HIS 10 6.857 1.763 -22.165 226 H LEU 11 H LEU 11 5.652 4.734 -15.174 227 HA LEU 11 HA LEU 11 2.799 4.884 -14.767 228 HB2 LEU 11 1HB LEU 11 4.383 3.975 -13.116 229 HB3 LEU 11 2HB LEU 11 5.146 5.544 -12.961 230 HG LEU 11 HG LEU 11 3.262 6.460 -11.802 231 HD11 LEU 11 1HD1 LEU 11 1.873 3.778 -12.141 232 HD12 LEU 11 2HD1 LEU 11 1.401 5.298 -12.947 233 HD13 LEU 11 3HD1 LEU 11 1.294 5.160 -11.185 234 HD21 LEU 11 3HD2 LEU 11 3.381 5.064 -9.805 235 HD22 LEU 11 1HD2 LEU 11 4.965 5.089 -10.604 236 HD23 LEU 11 2HD2 LEU 11 3.907 3.666 -10.768 237 H VAL 12 H VAL 12 5.438 7.290 -14.757 238 HA VAL 12 HA VAL 12 3.836 9.522 -14.030 239 HB VAL 12 HB VAL 12 6.332 9.427 -15.797 240 HG11 VAL 12 1HG1 VAL 12 5.134 11.718 -14.193 241 HG12 VAL 12 2HG1 VAL 12 6.684 11.756 -15.067 242 HG13 VAL 12 3HG1 VAL 12 5.164 11.579 -15.966 243 HG21 VAL 12 3HG2 VAL 12 6.776 8.352 -13.652 244 HG22 VAL 12 1HG2 VAL 12 7.543 9.949 -13.663 245 HG23 VAL 12 2HG2 VAL 12 6.021 9.704 -12.775 246 H GLU 13 H GLU 13 4.682 8.176 -17.250 247 HA GLU 13 HA GLU 13 3.318 10.239 -18.708 248 HB2 GLU 13 1HB GLU 13 4.133 7.416 -19.450 249 HB3 GLU 13 2HB GLU 13 3.428 8.570 -20.593 250 HG2 GLU 13 1HG GLU 13 6.024 8.959 -19.060 251 HG3 GLU 13 2HG GLU 13 5.880 8.534 -20.769 252 HE2 GLU 13 HE2 GLU 13 5.975 12.203 -19.789 253 H ALA 14 H ALA 14 2.206 7.198 -17.253 254 HA ALA 14 HA ALA 14 -0.301 7.161 -18.681 255 HB1 ALA 14 3HB ALA 14 0.657 5.204 -17.528 256 HB2 ALA 14 1HB ALA 14 0.431 6.017 -15.962 257 HB3 ALA 14 2HB ALA 14 -0.983 5.572 -16.949 258 H LEU 15 H LEU 15 0.852 8.666 -15.669 259 HA LEU 15 HA LEU 15 -1.736 9.424 -14.721 260 HB2 LEU 15 1HB LEU 15 1.040 10.500 -14.190 261 HB3 LEU 15 2HB LEU 15 -0.398 11.081 -13.354 262 HG LEU 15 HG LEU 15 0.505 8.191 -13.304 263 HD11 LEU 15 1HD1 LEU 15 0.887 10.304 -11.171 264 HD12 LEU 15 2HD1 LEU 15 2.173 9.655 -12.215 265 HD13 LEU 15 3HD1 LEU 15 1.339 8.587 -11.069 266 HD21 LEU 15 3HD2 LEU 15 -1.042 8.078 -11.402 267 HD22 LEU 15 1HD2 LEU 15 -1.848 8.458 -12.924 268 HD23 LEU 15 2HD2 LEU 15 -1.539 9.752 -11.748 269 H TYR 16 H TYR 16 0.500 10.996 -16.977 270 HA TYR 16 HA TYR 16 -0.786 13.549 -17.067 271 HB2 TYR 16 1HB TYR 16 0.785 11.915 -19.073 272 HB3 TYR 16 2HB TYR 16 -0.049 13.381 -19.585 273 HD1 TYR 16 HD2 TYR 16 0.503 15.599 -18.447 274 HD2 TYR 16 HD1 TYR 16 2.925 12.077 -17.977 275 HE1 TYR 16 HE2 TYR 16 2.415 17.008 -17.674 276 HE2 TYR 16 HE1 TYR 16 4.836 13.493 -17.230 277 HH TYR 16 HH TYR 16 5.564 15.614 -16.754 278 H LEU 17 H LEU 17 -1.495 10.460 -18.730 279 HA LEU 17 HA LEU 17 -3.621 11.591 -20.321 280 HB2 LEU 17 1HB LEU 17 -3.152 8.728 -19.444 281 HB3 LEU 17 2HB LEU 17 -4.260 9.260 -20.694 282 HG LEU 17 HG LEU 17 -1.242 9.584 -20.830 283 HD11 LEU 17 1HD1 LEU 17 -1.908 7.208 -20.738 284 HD12 LEU 17 2HD1 LEU 17 -1.288 7.647 -22.343 285 HD13 LEU 17 3HD1 LEU 17 -3.040 7.470 -22.086 286 HD21 LEU 17 3HD2 LEU 17 -1.657 9.926 -23.252 287 HD22 LEU 17 1HD2 LEU 17 -2.431 11.178 -22.263 288 HD23 LEU 17 2HD2 LEU 17 -3.411 9.862 -22.954 289 H VAL 18 H VAL 18 -3.537 9.766 -17.260 290 HA VAL 18 HA VAL 18 -6.383 9.388 -17.165 291 HB VAL 18 HB VAL 18 -4.196 9.167 -15.053 292 HG11 VAL 18 1HG1 VAL 18 -6.175 9.543 -13.787 293 HG12 VAL 18 2HG1 VAL 18 -7.157 8.504 -14.853 294 HG13 VAL 18 3HG1 VAL 18 -5.924 7.796 -13.786 295 HG21 VAL 18 3HG2 VAL 18 -4.535 6.769 -15.420 296 HG22 VAL 18 1HG2 VAL 18 -5.764 7.118 -16.649 297 HG23 VAL 18 2HG2 VAL 18 -4.076 7.587 -16.913 298 H CYS 19 H CYS 19 -4.216 11.707 -15.529 299 HA CYS 19 HA CYS 19 -6.636 12.958 -14.355 300 HB2 CYS 19 1HB CYS 19 -3.686 13.313 -13.816 301 HB3 CYS 19 2HB CYS 19 -4.954 14.319 -13.077 302 H GLY 20 H GLY 20 -4.733 13.261 -17.153 303 HA2 GLY 20 1HA GLY 20 -4.848 14.835 -18.813 304 HA3 GLY 20 2HA GLY 20 -6.351 15.380 -18.058 305 H GLU 21 H GLU 21 -6.098 17.489 -18.422 306 HA GLU 21 HA GLU 21 -3.670 18.923 -18.033 307 HB2 GLU 21 1HB GLU 21 -6.550 19.850 -18.245 308 HB3 GLU 21 2HB GLU 21 -5.145 20.922 -18.317 309 HG2 GLU 21 1HG GLU 21 -4.341 19.743 -20.331 310 HG3 GLU 21 2HG GLU 21 -5.745 18.667 -20.268 311 HE2 GLU 21 HE2 GLU 21 -6.049 21.880 -22.229 312 H ARG 22 H ARG 22 -5.739 17.784 -15.516 313 HA ARG 22 HA ARG 22 -5.564 20.187 -13.904 314 HB2 ARG 22 1HB ARG 22 -6.808 19.093 -12.359 315 HB3 ARG 22 2HB ARG 22 -7.229 18.153 -13.792 316 HG2 ARG 22 1HG ARG 22 -5.398 16.524 -13.097 317 HG3 ARG 22 2HG ARG 22 -5.295 17.435 -11.578 318 HD2 ARG 22 1HD ARG 22 -6.730 15.732 -11.058 319 HD3 ARG 22 2HD ARG 22 -7.827 17.077 -11.442 320 HE ARG 22 HE ARG 22 -7.524 15.810 -13.847 321 HH11 ARG 22 1HH1 ARG 22 -8.438 14.595 -10.654 322 HH12 ARG 22 2HH1 ARG 22 -9.363 13.265 -11.313 323 HH21 ARG 22 1HH2 ARG 22 -8.780 14.128 -14.610 324 HH22 ARG 22 2HH2 ARG 22 -9.561 13.027 -13.505 325 H GLY 23 H GLY 23 -3.340 17.717 -14.707 326 HA2 GLY 23 1HA GLY 23 -1.101 17.591 -14.049 327 HA3 GLY 23 2HA GLY 23 -1.410 18.767 -12.761 328 H PHE 24 H PHE 24 0.146 16.808 -11.974 329 HA PHE 24 HA PHE 24 -1.410 15.316 -10.024 330 HB2 PHE 24 1HB PHE 24 -0.772 13.096 -10.764 331 HB3 PHE 24 2HB PHE 24 -1.698 13.888 -12.044 332 HD1 PHE 24 HD2 PHE 24 -0.610 14.656 -14.108 333 HD2 PHE 24 HD1 PHE 24 1.544 12.537 -11.069 334 HE1 PHE 24 HE2 PHE 24 1.215 14.203 -15.717 335 HE2 PHE 24 HE1 PHE 24 3.356 12.041 -12.670 336 HZ PHE 24 HZ PHE 24 3.209 12.890 -15.016 337 H PHE 25 H PHE 25 0.297 13.762 -8.875 338 HA PHE 25 HA PHE 25 3.044 14.874 -9.147 339 HB2 PHE 25 1HB PHE 25 3.295 14.805 -6.680 340 HB3 PHE 25 2HB PHE 25 2.128 16.020 -7.208 341 HD1 PHE 25 HD2 PHE 25 2.449 12.627 -5.678 342 HD2 PHE 25 HD1 PHE 25 -0.145 15.956 -6.510 343 HE1 PHE 25 HE2 PHE 25 0.723 11.650 -4.174 344 HE2 PHE 25 HE1 PHE 25 -1.856 15.002 -4.986 345 HZ PHE 25 HZ PHE 25 -1.441 12.842 -3.823 346 H TYR 26 H TYR 26 4.586 13.320 -7.965 347 HA TYR 26 HA TYR 26 3.543 10.528 -8.093 348 HB2 TYR 26 1HB TYR 26 4.723 10.852 -10.182 349 HB3 TYR 26 2HB TYR 26 6.082 11.626 -9.349 350 HD1 TYR 26 HD1 TYR 26 4.148 8.374 -9.061 351 HD2 TYR 26 HD2 TYR 26 7.992 10.317 -9.082 352 HE1 TYR 26 HE1 TYR 26 5.275 6.177 -8.702 353 HE2 TYR 26 HE2 TYR 26 9.102 8.108 -8.781 354 HH TYR 26 HH TYR 26 8.832 5.881 -8.521 355 H THR 27 H THR 27 4.474 9.163 -6.616 356 HA THR 27 HA THR 27 5.974 10.492 -4.418 357 HB THR 27 HB THR 27 4.141 9.684 -3.308 358 HG1 THR 27 HG1 THR 27 5.818 7.407 -3.633 359 HG21 THR 27 1HG2 THR 27 3.988 7.577 -5.474 360 HG22 THR 27 2HG2 THR 27 2.880 8.948 -5.187 361 HG23 THR 27 3HG2 THR 27 2.933 7.594 -4.041 362 HA PRO 28 HA PRO 28 9.055 7.666 -6.253 363 HB2 PRO 28 1HB PRO 28 11.276 9.098 -5.628 364 HB3 PRO 28 2HB PRO 28 10.169 9.609 -6.943 365 HG2 PRO 28 1HG PRO 28 10.328 10.578 -4.110 366 HG3 PRO 28 2HG PRO 28 10.223 11.524 -5.627 367 HD2 PRO 28 1HD PRO 28 8.060 10.954 -4.028 368 HD3 PRO 28 2HD PRO 28 7.910 11.169 -5.802 369 H LYS 29 H LYS 29 11.049 6.552 -5.249 370 HA LYS 29 HA LYS 29 11.179 6.548 -2.344 371 HB2 LYS 29 1HB LYS 29 10.700 4.221 -2.123 372 HB3 LYS 29 2HB LYS 29 9.303 4.948 -2.902 373 HG2 LYS 29 1HG LYS 29 10.173 4.094 -5.098 374 HG3 LYS 29 2HG LYS 29 11.499 3.305 -4.218 375 HD2 LYS 29 1HD LYS 29 9.687 2.137 -2.836 376 HD3 LYS 29 2HD LYS 29 8.541 2.694 -4.073 377 HE2 LYS 29 1HE LYS 29 11.004 0.946 -4.492 378 HE3 LYS 29 2HE LYS 29 9.312 0.419 -4.584 379 HZ1 LYS 29 3HZ LYS 29 10.238 0.796 -6.777 380 HZ2 LYS 29 1HZ LYS 29 10.622 2.356 -6.407 381 HZ3 LYS 29 2HZ LYS 29 9.039 1.897 -6.495 382 H THR 30 H THR 30 13.113 5.320 -1.721 383 HA THR 30 HA THR 30 15.106 5.196 -3.927 384 HB THR 30 HB THR 30 16.687 5.165 -1.856 385 HG1 THR 30 HG1 THR 30 15.588 5.995 0.032 386 HG21 THR 30 1HG2 THR 30 16.262 7.249 -3.216 387 HG22 THR 30 2HG2 THR 30 16.365 7.644 -1.493 388 HG23 THR 30 3HG2 THR 30 14.783 7.566 -2.294 389 HXT THR 30 H02 THR 30 16.569 3.705 -3.712 Start of MODEL 29 1 H1 GLY 1 3H0 GLY 1 1.606 -1.577 -0.833 2 H2 GLY 1 2H0 GLY 1 3.147 -1.564 -1.418 3 H3 GLY 1 1H0 GLY 1 2.868 -1.247 0.176 4 HA2 GLY 1 1HA GLY 1 1.698 0.780 -0.354 5 HA3 GLY 1 2HA GLY 1 3.353 0.799 -0.994 6 H ILE 2 H ILE 2 1.271 2.468 -2.071 7 HA ILE 2 HA ILE 2 -0.171 1.201 -4.124 8 HB ILE 2 HB ILE 2 -0.651 3.441 -3.096 9 HG12 ILE 2 1HG1 ILE 2 -0.613 3.369 -6.128 10 HG13 ILE 2 2HG1 ILE 2 -1.770 2.516 -5.111 11 HG21 ILE 2 1HG2 ILE 2 0.396 5.475 -3.925 12 HG22 ILE 2 2HG2 ILE 2 1.683 4.407 -3.342 13 HG23 ILE 2 3HG2 ILE 2 1.380 4.569 -5.091 14 HD11 ILE 2 3HD1 ILE 2 -1.456 5.537 -5.351 15 HD12 ILE 2 1HD1 ILE 2 -2.794 4.540 -5.950 16 HD13 ILE 2 2HD1 ILE 2 -2.546 4.722 -4.199 17 H VAL 3 H VAL 3 3.066 2.720 -4.377 18 HA VAL 3 HA VAL 3 3.197 2.428 -7.220 19 HB VAL 3 HB VAL 3 4.645 3.996 -5.988 20 HG11 VAL 3 1HG1 VAL 3 6.574 3.257 -4.680 21 HG12 VAL 3 2HG1 VAL 3 5.078 2.634 -3.959 22 HG13 VAL 3 3HG1 VAL 3 6.133 1.557 -4.917 23 HG21 VAL 3 3HG2 VAL 3 6.265 1.879 -7.465 24 HG22 VAL 3 1HG2 VAL 3 5.338 3.198 -8.219 25 HG23 VAL 3 2HG2 VAL 3 6.734 3.571 -7.189 26 H GLU 4 H GLU 4 3.962 0.265 -4.541 27 HA GLU 4 HA GLU 4 5.299 -1.744 -6.075 28 HB2 GLU 4 1HB GLU 4 5.307 -1.502 -3.578 29 HB3 GLU 4 2HB GLU 4 3.611 -1.961 -3.566 30 HG2 GLU 4 1HG GLU 4 4.253 -4.178 -4.525 31 HG3 GLU 4 2HG GLU 4 5.947 -3.715 -4.285 32 HE2 GLU 4 HE2 GLU 4 5.580 -5.645 -3.086 33 H GLN 5 H GLN 5 1.882 -1.205 -5.152 34 HA GLN 5 HA GLN 5 0.884 -3.623 -6.304 35 HB2 GLN 5 1HB GLN 5 -0.401 -0.933 -5.727 36 HB3 GLN 5 2HB GLN 5 -1.311 -2.335 -6.304 37 HG2 GLN 5 1HG GLN 5 -0.920 -3.560 -4.320 38 HG3 GLN 5 2HG GLN 5 0.403 -2.503 -3.816 39 HE21 GLN 5 2HE2 GLN 5 -3.082 -2.852 -4.023 40 HE22 GLN 5 1HE2 GLN 5 -3.453 -1.531 -2.941 41 H CYS 6 H CYS 6 1.341 -0.325 -7.650 42 HA CYS 6 HA CYS 6 0.126 -1.031 -10.189 43 HB2 CYS 6 1HB CYS 6 1.771 1.279 -9.163 44 HB3 CYS 6 2HB CYS 6 1.434 1.111 -10.896 45 H CYS 7 H CYS 7 3.373 -1.272 -8.880 46 HA CYS 7 HA CYS 7 4.688 -1.643 -11.413 47 HB2 CYS 7 1HB CYS 7 5.712 -1.003 -9.160 48 HB3 CYS 7 2HB CYS 7 5.551 -2.699 -8.698 49 H THR 8 H THR 8 3.379 -3.876 -8.909 50 HA THR 8 HA THR 8 4.217 -6.181 -10.509 51 HB THR 8 HB THR 8 4.347 -6.069 -7.968 52 HG1 THR 8 HG1 THR 8 3.052 -8.177 -9.360 53 HG21 THR 8 1HG2 THR 8 1.404 -6.814 -8.092 54 HG22 THR 8 2HG2 THR 8 1.979 -5.187 -7.656 55 HG23 THR 8 3HG2 THR 8 2.416 -6.583 -6.654 56 H SER 9 H SER 9 1.252 -4.347 -10.248 57 HA SER 9 HA SER 9 -0.034 -6.486 -11.868 58 HB2 SER 9 1HB SER 9 -2.088 -6.383 -10.585 59 HB3 SER 9 2HB SER 9 -0.767 -6.669 -9.436 60 HG SER 9 HG SER 9 -0.783 -4.307 -9.134 61 H ILE 10 H ILE 10 -2.422 -5.431 -12.501 62 HA ILE 10 HA ILE 10 -1.421 -3.425 -14.350 63 HB ILE 10 HB ILE 10 -4.218 -4.569 -13.993 64 HG12 ILE 10 1HG1 ILE 10 -2.492 -6.244 -14.626 65 HG13 ILE 10 2HG1 ILE 10 -3.721 -6.005 -15.864 66 HG21 ILE 10 1HG2 ILE 10 -3.071 -2.787 -16.195 67 HG22 ILE 10 2HG2 ILE 10 -4.617 -3.668 -16.310 68 HG23 ILE 10 3HG2 ILE 10 -4.407 -2.409 -15.085 69 HD11 ILE 10 3HD1 ILE 10 -2.165 -4.695 -17.220 70 HD12 ILE 10 1HD1 ILE 10 -0.935 -4.787 -15.951 71 HD13 ILE 10 2HD1 ILE 10 -1.443 -6.256 -16.804 72 H CYS 11 H CYS 11 -1.232 -1.401 -13.928 73 HA CYS 11 HA CYS 11 -2.755 -0.172 -11.731 74 HB2 CYS 11 1HB CYS 11 -0.253 0.081 -12.183 75 HB3 CYS 11 2HB CYS 11 -0.694 1.050 -13.570 76 H SER 12 H SER 12 -4.795 -0.493 -12.921 77 HA SER 12 HA SER 12 -5.340 0.787 -15.422 78 HB2 SER 12 1HB SER 12 -7.236 0.159 -13.127 79 HB3 SER 12 2HB SER 12 -7.688 0.425 -14.827 80 HG SER 12 HG SER 12 -6.710 -1.471 -15.379 81 H LEU 13 H LEU 13 -7.005 2.587 -15.634 82 HA LEU 13 HA LEU 13 -5.976 4.976 -14.615 83 HB2 LEU 13 1HB LEU 13 -7.893 6.060 -15.544 84 HB3 LEU 13 2HB LEU 13 -7.366 4.770 -16.615 85 HG LEU 13 HG LEU 13 -9.307 3.474 -15.175 86 HD11 LEU 13 1HD1 LEU 13 -9.984 5.521 -13.984 87 HD12 LEU 13 2HD1 LEU 13 -11.263 4.989 -15.092 88 HD13 LEU 13 3HD1 LEU 13 -10.222 6.362 -15.535 89 HD21 LEU 13 3HD2 LEU 13 -10.712 3.789 -17.169 90 HD22 LEU 13 1HD2 LEU 13 -9.023 3.467 -17.613 91 HD23 LEU 13 2HD2 LEU 13 -9.665 5.127 -17.702 92 H TYR 14 H TYR 14 -8.354 2.866 -13.090 93 HA TYR 14 HA TYR 14 -9.361 4.797 -11.230 94 HB2 TYR 14 1HB TYR 14 -9.084 1.807 -10.814 95 HB3 TYR 14 2HB TYR 14 -10.267 2.893 -10.071 96 HD1 TYR 14 HD2 TYR 14 -11.870 4.159 -11.791 97 HD2 TYR 14 HD1 TYR 14 -9.674 0.573 -12.724 98 HE1 TYR 14 HE2 TYR 14 -13.420 3.694 -13.694 99 HE2 TYR 14 HE1 TYR 14 -11.222 0.130 -14.632 100 HH TYR 14 HH TYR 14 -13.100 0.810 -15.759 101 H GLN 15 H GLN 15 -6.588 2.560 -11.191 102 HA GLN 15 HA GLN 15 -5.868 3.106 -8.442 103 HB2 GLN 15 1HB GLN 15 -4.048 2.158 -10.687 104 HB3 GLN 15 2HB GLN 15 -3.811 1.944 -8.953 105 HG2 GLN 15 1HG GLN 15 -5.861 0.589 -10.739 106 HG3 GLN 15 2HG GLN 15 -4.516 -0.163 -9.875 107 HE21 GLN 15 2HE2 GLN 15 -4.628 -0.144 -7.484 108 HE22 GLN 15 1HE2 GLN 15 -6.205 -0.222 -6.738 109 H LEU 16 H LEU 16 -5.020 4.360 -11.644 110 HA LEU 16 HA LEU 16 -2.940 6.117 -10.786 111 HB2 LEU 16 1HB LEU 16 -4.753 6.134 -13.195 112 HB3 LEU 16 2HB LEU 16 -3.416 7.261 -12.986 113 HG LEU 16 HG LEU 16 -3.060 4.244 -12.950 114 HD11 LEU 16 1HD1 LEU 16 -3.935 4.913 -15.124 115 HD12 LEU 16 2HD1 LEU 16 -2.238 4.433 -15.238 116 HD13 LEU 16 3HD1 LEU 16 -2.671 6.160 -15.264 117 HD21 LEU 16 3HD2 LEU 16 -1.084 6.519 -13.352 118 HD22 LEU 16 1HD2 LEU 16 -0.710 4.786 -13.411 119 HD23 LEU 16 2HD2 LEU 16 -1.237 5.517 -11.890 120 H GLU 17 H GLU 17 -6.477 6.562 -10.948 121 HA GLU 17 HA GLU 17 -6.509 9.381 -10.521 122 HB2 GLU 17 1HB GLU 17 -8.400 7.133 -9.837 123 HB3 GLU 17 2HB GLU 17 -8.722 8.767 -9.259 124 HG2 GLU 17 1HG GLU 17 -8.236 8.225 -12.187 125 HG3 GLU 17 2HG GLU 17 -9.825 8.002 -11.454 126 HE2 GLU 17 HE2 GLU 17 -10.838 9.623 -10.743 127 H ASN 18 H ASN 18 -5.775 6.752 -8.283 128 HA ASN 18 HA ASN 18 -6.212 8.341 -5.888 129 HB2 ASN 18 1HB ASN 18 -4.754 5.747 -6.422 130 HB3 ASN 18 2HB ASN 18 -4.683 6.542 -4.850 131 HD21 ASN 18 2HD2 ASN 18 -6.816 4.965 -7.181 132 HD22 ASN 18 1HD2 ASN 18 -8.090 4.656 -6.031 133 H TYR 19 H TYR 19 -3.542 8.016 -8.160 134 HA TYR 19 HA TYR 19 -1.556 9.294 -6.400 135 HB2 TYR 19 1HB TYR 19 -1.698 8.830 -9.380 136 HB3 TYR 19 2HB TYR 19 -0.340 9.613 -8.593 137 HD1 TYR 19 HD1 TYR 19 -2.173 6.403 -8.960 138 HD2 TYR 19 HD2 TYR 19 1.354 8.343 -7.471 139 HE1 TYR 19 HE1 TYR 19 -1.090 4.198 -8.667 140 HE2 TYR 19 HE2 TYR 19 2.432 6.129 -7.173 141 HH TYR 19 HH TYR 19 0.772 3.077 -8.024 142 H CYS 20 H CYS 20 -4.074 10.131 -8.664 143 HA CYS 20 HA CYS 20 -2.998 12.660 -9.497 144 HB2 CYS 20 1HB CYS 20 -4.603 11.054 -10.720 145 HB3 CYS 20 2HB CYS 20 -5.881 11.771 -9.730 146 H ASN 21 H ASN 21 -2.653 14.029 -7.793 147 HA ASN 21 HA ASN 21 -5.100 15.214 -6.598 148 HB2 ASN 21 1HB ASN 21 -3.997 13.506 -5.018 149 HB3 ASN 21 2HB ASN 21 -2.624 14.611 -4.913 150 HD21 ASN 21 2HD2 ASN 21 -5.462 13.697 -3.504 151 HD22 ASN 21 1HD2 ASN 21 -5.835 15.169 -2.642 152 HXT ASN 21 H02 ASN 21 -3.680 18.164 -7.043 153 H1 PHE 1 3H0 PHE 1 -8.434 2.620 -22.642 154 H2 PHE 1 2H0 PHE 1 -8.114 4.217 -22.372 155 H3 PHE 1 1H0 PHE 1 -7.409 3.436 -23.642 156 HA PHE 1 HA PHE 1 -5.804 3.724 -21.896 157 HB2 PHE 1 1HB PHE 1 -7.684 3.718 -20.144 158 HB3 PHE 1 2HB PHE 1 -7.637 1.953 -20.239 159 HD1 PHE 1 HD1 PHE 1 -5.664 4.995 -19.358 160 HD2 PHE 1 HD2 PHE 1 -5.915 0.698 -19.105 161 HE1 PHE 1 HE1 PHE 1 -3.786 4.985 -17.730 162 HE2 PHE 1 HE2 PHE 1 -4.035 0.686 -17.472 163 HZ PHE 1 HZ PHE 1 -2.963 2.829 -16.789 164 H VAL 2 H VAL 2 -4.154 2.046 -21.528 165 HA VAL 2 HA VAL 2 -4.831 -0.546 -22.879 166 HB VAL 2 HB VAL 2 -2.165 0.972 -22.936 167 HG11 VAL 2 1HG1 VAL 2 -2.995 -1.653 -24.266 168 HG12 VAL 2 2HG1 VAL 2 -1.451 -0.811 -24.526 169 HG13 VAL 2 3HG1 VAL 2 -1.835 -1.478 -22.927 170 HG21 VAL 2 3HG2 VAL 2 -4.226 0.494 -25.138 171 HG22 VAL 2 1HG2 VAL 2 -3.764 2.059 -24.427 172 HG23 VAL 2 2HG2 VAL 2 -2.595 1.154 -25.400 173 H ASN 3 H ASN 3 -4.499 -2.285 -21.545 174 HA ASN 3 HA ASN 3 -3.587 -1.738 -18.838 175 HB2 ASN 3 1HB ASN 3 -4.281 -4.327 -20.265 176 HB3 ASN 3 2HB ASN 3 -3.747 -4.237 -18.581 177 HD21 ASN 3 2HD2 ASN 3 -6.318 -5.148 -19.723 178 HD22 ASN 3 1HD2 ASN 3 -7.538 -4.156 -18.962 179 H GLN 4 H GLN 4 -1.625 -1.771 -18.105 180 HA GLN 4 HA GLN 4 0.222 -3.870 -18.854 181 HB2 GLN 4 1HB GLN 4 2.067 -2.308 -19.472 182 HB3 GLN 4 2HB GLN 4 0.770 -2.316 -20.669 183 HG2 GLN 4 1HG GLN 4 -0.130 -0.216 -19.651 184 HG3 GLN 4 2HG GLN 4 1.269 -0.196 -18.572 185 HE21 GLN 4 2HE2 GLN 4 0.282 -0.146 -21.972 186 HE22 GLN 4 1HE2 GLN 4 1.667 0.754 -22.541 187 H HIS 5 H HIS 5 1.824 -3.961 -17.227 188 HA HIS 5 HA HIS 5 1.151 -2.746 -14.666 189 HB2 HIS 5 1HB HIS 5 3.749 -4.061 -15.567 190 HB3 HIS 5 2HB HIS 5 3.260 -3.732 -13.903 191 HD1 HIS 5 HD1 HIS 5 0.481 -4.831 -13.714 192 HD2 HIS 5 HD2 HIS 5 3.458 -6.764 -15.836 193 HE1 HIS 5 HE1 HIS 5 -0.199 -7.298 -13.888 194 HE2 HIS 5 HE2 HIS 5 1.643 -8.447 -15.169 195 H LEU 6 H LEU 6 2.231 -0.955 -13.647 196 HA LEU 6 HA LEU 6 3.926 0.679 -15.516 197 HB2 LEU 6 1HB LEU 6 1.668 1.637 -13.732 198 HB3 LEU 6 2HB LEU 6 2.765 2.675 -14.620 199 HG LEU 6 HG LEU 6 0.771 0.784 -15.901 200 HD11 LEU 6 1HD1 LEU 6 -0.311 2.630 -14.677 201 HD12 LEU 6 2HD1 LEU 6 -0.477 2.837 -16.424 202 HD13 LEU 6 3HD1 LEU 6 0.718 3.796 -15.520 203 HD21 LEU 6 3HD2 LEU 6 2.718 1.272 -17.361 204 HD22 LEU 6 1HD2 LEU 6 2.442 3.017 -17.106 205 HD23 LEU 6 2HD2 LEU 6 1.237 2.040 -17.957 206 H CYS 7 H CYS 7 5.861 1.023 -14.597 207 HA CYS 7 HA CYS 7 5.948 1.252 -11.614 208 HB2 CYS 7 1HB CYS 7 6.545 -1.035 -12.655 209 HB3 CYS 7 2HB CYS 7 8.030 -0.257 -13.206 210 H GLY 8 H GLY 8 8.075 1.566 -14.510 211 HA2 GLY 8 1HA GLY 8 9.627 3.664 -13.190 212 HA3 GLY 8 2HA GLY 8 9.858 3.035 -14.829 213 H SER 9 H SER 9 10.015 5.066 -15.838 214 HA SER 9 HA SER 9 8.374 7.285 -15.460 215 HB2 SER 9 1HB SER 9 9.116 6.801 -18.260 216 HB3 SER 9 2HB SER 9 9.619 8.099 -17.147 217 HG SER 9 HG SER 9 11.418 6.859 -17.548 218 H HIS 10 H HIS 10 7.504 4.308 -17.033 219 HA HIS 10 HA HIS 10 5.351 5.136 -18.687 220 HB2 HIS 10 1HB HIS 10 5.873 2.658 -17.013 221 HB3 HIS 10 2HB HIS 10 4.378 2.869 -17.915 222 HD1 HIS 10 HD1 HIS 10 4.337 1.743 -20.105 223 HD2 HIS 10 HD2 HIS 10 8.183 3.060 -19.044 224 HE1 HIS 10 HE1 HIS 10 5.894 1.071 -21.983 225 HE2 HIS 10 HE2 HIS 10 8.215 1.874 -21.349 226 H LEU 11 H LEU 11 5.544 4.755 -15.144 227 HA LEU 11 HA LEU 11 2.710 4.838 -14.682 228 HB2 LEU 11 1HB LEU 11 4.480 4.014 -13.108 229 HB3 LEU 11 2HB LEU 11 5.033 5.666 -12.903 230 HG LEU 11 HG LEU 11 2.904 6.255 -11.802 231 HD11 LEU 11 1HD1 LEU 11 2.278 3.283 -12.008 232 HD12 LEU 11 2HD1 LEU 11 1.429 4.583 -12.876 233 HD13 LEU 11 3HD1 LEU 11 1.344 4.501 -11.110 234 HD21 LEU 11 3HD2 LEU 11 3.353 4.990 -9.736 235 HD22 LEU 11 1HD2 LEU 11 4.874 5.472 -10.518 236 HD23 LEU 11 2HD2 LEU 11 4.298 3.792 -10.655 237 H VAL 12 H VAL 12 5.267 7.305 -14.783 238 HA VAL 12 HA VAL 12 3.580 9.519 -14.069 239 HB VAL 12 HB VAL 12 6.208 9.454 -15.642 240 HG11 VAL 12 1HG1 VAL 12 5.017 11.603 -15.883 241 HG12 VAL 12 2HG1 VAL 12 4.900 11.735 -14.116 242 HG13 VAL 12 3HG1 VAL 12 6.488 11.781 -14.908 243 HG21 VAL 12 3HG2 VAL 12 6.503 8.382 -13.465 244 HG22 VAL 12 1HG2 VAL 12 7.245 9.990 -13.417 245 HG23 VAL 12 2HG2 VAL 12 5.664 9.722 -12.650 246 H GLU 13 H GLU 13 4.629 8.101 -17.183 247 HA GLU 13 HA GLU 13 3.459 10.095 -18.863 248 HB2 GLU 13 1HB GLU 13 4.065 7.154 -19.281 249 HB3 GLU 13 2HB GLU 13 3.476 8.209 -20.572 250 HG2 GLU 13 1HG GLU 13 5.441 9.599 -20.435 251 HG3 GLU 13 2HG GLU 13 6.010 8.750 -18.997 252 HE2 GLU 13 HE2 GLU 13 7.033 7.497 -22.465 253 H ALA 14 H ALA 14 2.106 7.208 -17.296 254 HA ALA 14 HA ALA 14 -0.378 7.327 -18.784 255 HB1 ALA 14 3HB ALA 14 -1.122 5.650 -17.201 256 HB2 ALA 14 1HB ALA 14 0.531 5.272 -17.738 257 HB3 ALA 14 2HB ALA 14 0.261 6.000 -16.134 258 H LEU 15 H LEU 15 0.836 8.687 -15.729 259 HA LEU 15 HA LEU 15 -1.717 9.495 -14.730 260 HB2 LEU 15 1HB LEU 15 1.111 10.421 -14.236 261 HB3 LEU 15 2HB LEU 15 -0.259 11.248 -13.494 262 HG LEU 15 HG LEU 15 0.245 8.281 -13.171 263 HD11 LEU 15 1HD1 LEU 15 1.167 8.783 -10.964 264 HD12 LEU 15 2HD1 LEU 15 1.010 10.527 -11.275 265 HD13 LEU 15 3HD1 LEU 15 2.143 9.546 -12.234 266 HD21 LEU 15 3HD2 LEU 15 -1.418 10.197 -11.502 267 HD22 LEU 15 1HD2 LEU 15 -1.323 8.424 -11.369 268 HD23 LEU 15 2HD2 LEU 15 -2.084 9.161 -12.778 269 H TYR 16 H TYR 16 0.515 11.022 -17.043 270 HA TYR 16 HA TYR 16 -0.755 13.578 -17.117 271 HB2 TYR 16 1HB TYR 16 0.736 11.939 -19.179 272 HB3 TYR 16 2HB TYR 16 -0.058 13.448 -19.628 273 HD1 TYR 16 HD1 TYR 16 0.582 15.608 -18.414 274 HD2 TYR 16 HD2 TYR 16 2.901 11.998 -18.128 275 HE1 TYR 16 HE1 TYR 16 2.546 16.925 -17.623 276 HE2 TYR 16 HE2 TYR 16 4.873 13.331 -17.372 277 HH TYR 16 HH TYR 16 4.732 16.867 -16.948 278 H LEU 17 H LEU 17 -1.601 10.483 -18.677 279 HA LEU 17 HA LEU 17 -3.679 11.645 -20.310 280 HB2 LEU 17 1HB LEU 17 -3.380 8.802 -19.311 281 HB3 LEU 17 2HB LEU 17 -4.421 9.351 -20.610 282 HG LEU 17 HG LEU 17 -1.386 9.466 -20.680 283 HD11 LEU 17 1HD1 LEU 17 -1.529 7.482 -22.124 284 HD12 LEU 17 2HD1 LEU 17 -3.295 7.435 -21.908 285 HD13 LEU 17 3HD1 LEU 17 -2.216 7.146 -20.521 286 HD21 LEU 17 3HD2 LEU 17 -2.425 11.083 -22.200 287 HD22 LEU 17 1HD2 LEU 17 -3.480 9.815 -22.866 288 HD23 LEU 17 2HD2 LEU 17 -1.720 9.744 -23.124 289 H VAL 18 H VAL 18 -3.642 10.004 -17.146 290 HA VAL 18 HA VAL 18 -6.535 9.883 -16.993 291 HB VAL 18 HB VAL 18 -4.374 9.489 -14.866 292 HG11 VAL 18 1HG1 VAL 18 -6.502 10.016 -13.756 293 HG12 VAL 18 2HG1 VAL 18 -7.354 8.820 -14.761 294 HG13 VAL 18 3HG1 VAL 18 -6.141 8.291 -13.568 295 HG21 VAL 18 3HG2 VAL 18 -4.171 7.845 -16.615 296 HG22 VAL 18 1HG2 VAL 18 -4.987 7.060 -15.257 297 HG23 VAL 18 2HG2 VAL 18 -5.930 7.584 -16.662 298 H CYS 19 H CYS 19 -4.024 12.004 -15.591 299 HA CYS 19 HA CYS 19 -6.013 13.552 -14.145 300 HB2 CYS 19 1HB CYS 19 -3.090 14.060 -14.771 301 HB3 CYS 19 2HB CYS 19 -4.078 15.049 -13.683 302 H GLY 20 H GLY 20 -4.592 13.645 -17.378 303 HA2 GLY 20 1HA GLY 20 -4.954 15.127 -19.103 304 HA3 GLY 20 2HA GLY 20 -6.453 15.594 -18.277 305 H GLU 21 H GLU 21 -6.361 17.764 -18.569 306 HA GLU 21 HA GLU 21 -3.981 19.323 -18.234 307 HB2 GLU 21 1HB GLU 21 -6.913 20.115 -18.256 308 HB3 GLU 21 2HB GLU 21 -5.563 21.252 -18.321 309 HG2 GLU 21 1HG GLU 21 -6.182 19.125 -20.405 310 HG3 GLU 21 2HG GLU 21 -6.519 20.855 -20.548 311 HE2 GLU 21 HE2 GLU 21 -3.250 19.663 -21.907 312 H ARG 22 H ARG 22 -5.941 17.958 -15.708 313 HA ARG 22 HA ARG 22 -5.806 20.283 -13.990 314 HB2 ARG 22 1HB ARG 22 -7.017 19.100 -12.518 315 HB3 ARG 22 2HB ARG 22 -7.340 18.112 -13.944 316 HG2 ARG 22 1HG ARG 22 -5.400 16.638 -13.191 317 HG3 ARG 22 2HG ARG 22 -5.412 17.565 -11.677 318 HD2 ARG 22 1HD ARG 22 -6.748 15.765 -11.183 319 HD3 ARG 22 2HD ARG 22 -7.925 17.019 -11.632 320 HE ARG 22 HE ARG 22 -7.488 15.782 -14.006 321 HH11 ARG 22 1HH1 ARG 22 -8.242 14.408 -10.828 322 HH12 ARG 22 2HH1 ARG 22 -9.000 12.996 -11.521 323 HH21 ARG 22 1HH2 ARG 22 -8.516 13.955 -14.791 324 HH22 ARG 22 2HH2 ARG 22 -9.161 12.763 -13.699 325 H GLY 23 H GLY 23 -3.538 17.870 -14.912 326 HA2 GLY 23 1HA GLY 23 -1.284 17.778 -14.386 327 HA3 GLY 23 2HA GLY 23 -1.512 19.097 -13.227 328 H PHE 24 H PHE 24 0.187 17.277 -12.430 329 HA PHE 24 HA PHE 24 -0.989 16.129 -10.054 330 HB2 PHE 24 1HB PHE 24 -0.501 13.800 -10.486 331 HB3 PHE 24 2HB PHE 24 -1.589 14.368 -11.747 332 HD1 PHE 24 HD2 PHE 24 -0.683 14.880 -14.044 333 HD2 PHE 24 HD1 PHE 24 1.679 12.984 -11.001 334 HE1 PHE 24 HE2 PHE 24 0.942 14.146 -15.768 335 HE2 PHE 24 HE1 PHE 24 3.310 12.235 -12.719 336 HZ PHE 24 HZ PHE 24 2.946 12.827 -15.118 337 H PHE 25 H PHE 25 0.948 14.811 -8.995 338 HA PHE 25 HA PHE 25 3.573 15.671 -10.068 339 HB2 PHE 25 1HB PHE 25 4.367 16.302 -7.846 340 HB3 PHE 25 2HB PHE 25 2.992 17.318 -8.293 341 HD1 PHE 25 HD1 PHE 25 0.789 17.026 -7.180 342 HD2 PHE 25 HD2 PHE 25 4.236 14.737 -5.995 343 HE1 PHE 25 HE1 PHE 25 -0.373 16.375 -5.079 344 HE2 PHE 25 HE2 PHE 25 3.081 14.082 -3.886 345 HZ PHE 25 HZ PHE 25 0.770 14.900 -3.426 346 H TYR 26 H TYR 26 5.297 14.252 -9.060 347 HA TYR 26 HA TYR 26 4.222 11.758 -7.865 348 HB2 TYR 26 1HB TYR 26 4.333 11.327 -10.305 349 HB3 TYR 26 2HB TYR 26 6.035 11.825 -10.309 350 HD1 TYR 26 HD2 TYR 26 3.641 9.282 -8.970 351 HD2 TYR 26 HD1 TYR 26 7.777 10.305 -9.588 352 HE1 TYR 26 HE2 TYR 26 4.316 6.975 -8.313 353 HE2 TYR 26 HE1 TYR 26 8.440 7.987 -8.949 354 HH TYR 26 HH TYR 26 7.715 5.894 -8.368 355 H THR 27 H THR 27 5.664 10.847 -6.434 356 HA THR 27 HA THR 27 8.126 12.457 -5.977 357 HB THR 27 HB THR 27 7.879 11.545 -3.588 358 HG1 THR 27 HG1 THR 27 5.168 11.377 -3.925 359 HG21 THR 27 1HG2 THR 27 6.217 13.255 -3.002 360 HG22 THR 27 2HG2 THR 27 5.689 13.350 -4.699 361 HG23 THR 27 3HG2 THR 27 7.328 13.873 -4.244 362 HA PRO 28 HA PRO 28 9.987 8.459 -6.966 363 HB2 PRO 28 1HB PRO 28 12.589 9.282 -7.075 364 HB3 PRO 28 2HB PRO 28 11.436 9.615 -8.407 365 HG2 PRO 28 1HG PRO 28 12.251 11.399 -6.126 366 HG3 PRO 28 2HG PRO 28 12.239 11.753 -7.885 367 HD2 PRO 28 1HD PRO 28 10.209 12.512 -6.284 368 HD3 PRO 28 2HD PRO 28 9.898 11.910 -7.950 369 H LYS 29 H LYS 29 11.414 7.014 -5.711 370 HA LYS 29 HA LYS 29 11.764 7.958 -2.895 371 HB2 LYS 29 1HB LYS 29 10.547 5.295 -3.715 372 HB3 LYS 29 2HB LYS 29 10.733 5.933 -2.069 373 HG2 LYS 29 1HG LYS 29 9.279 7.887 -2.814 374 HG3 LYS 29 2HG LYS 29 8.952 6.973 -4.295 375 HD2 LYS 29 1HD LYS 29 8.095 5.101 -2.821 376 HD3 LYS 29 2HD LYS 29 8.193 6.252 -1.466 377 HE2 LYS 29 1HE LYS 29 6.533 6.488 -4.013 378 HE3 LYS 29 2HE LYS 29 5.936 6.358 -2.346 379 HZ1 LYS 29 3HZ LYS 29 7.011 8.555 -1.944 380 HZ2 LYS 29 1HZ LYS 29 5.810 8.635 -3.072 381 HZ3 LYS 29 2HZ LYS 29 7.383 8.658 -3.551 382 H THR 30 H THR 30 13.999 8.156 -3.299 383 HA THR 30 HA THR 30 15.552 5.806 -4.095 384 HB THR 30 HB THR 30 17.475 7.433 -3.417 385 HG1 THR 30 HG1 THR 30 16.361 8.806 -2.077 386 HG21 THR 30 1HG2 THR 30 17.147 8.845 -5.436 387 HG22 THR 30 2HG2 THR 30 15.430 8.428 -5.507 388 HG23 THR 30 3HG2 THR 30 16.665 7.185 -5.813 389 HXT THR 30 H02 THR 30 14.593 4.697 -2.593 Start of MODEL 30 1 H1 GLY 1 3H0 GLY 1 0.504 -0.472 -0.546 2 H2 GLY 1 2H0 GLY 1 2.020 -0.991 -0.934 3 H3 GLY 1 1H0 GLY 1 1.751 -0.241 0.510 4 HA2 GLY 1 1HA GLY 1 1.224 1.816 -0.577 5 HA3 GLY 1 2HA GLY 1 2.849 1.247 -1.012 6 H ILE 2 H ILE 2 0.818 2.995 -2.468 7 HA ILE 2 HA ILE 2 -0.319 1.412 -4.541 8 HB ILE 2 HB ILE 2 -1.133 3.635 -3.708 9 HG12 ILE 2 1HG1 ILE 2 -0.735 3.444 -6.708 10 HG13 ILE 2 2HG1 ILE 2 -1.899 2.495 -5.785 11 HG21 ILE 2 1HG2 ILE 2 1.068 4.840 -3.709 12 HG22 ILE 2 2HG2 ILE 2 1.050 4.828 -5.487 13 HG23 ILE 2 3HG2 ILE 2 -0.192 5.718 -4.586 14 HD11 ILE 2 3HD1 ILE 2 -3.001 4.627 -5.059 15 HD12 ILE 2 1HD1 ILE 2 -1.891 5.521 -6.135 16 HD13 ILE 2 2HD1 ILE 2 -3.043 4.354 -6.815 17 H VAL 3 H VAL 3 2.883 2.986 -4.374 18 HA VAL 3 HA VAL 3 3.272 2.995 -7.192 19 HB VAL 3 HB VAL 3 5.430 2.767 -5.054 20 HG11 VAL 3 1HG1 VAL 3 6.883 3.805 -6.808 21 HG12 VAL 3 2HG1 VAL 3 6.262 2.223 -7.331 22 HG13 VAL 3 3HG1 VAL 3 5.533 3.714 -7.968 23 HG21 VAL 3 3HG2 VAL 3 4.115 5.211 -6.327 24 HG22 VAL 3 1HG2 VAL 3 4.042 4.734 -4.615 25 HG23 VAL 3 2HG2 VAL 3 5.581 5.263 -5.325 26 H GLU 4 H GLU 4 4.300 0.538 -4.739 27 HA GLU 4 HA GLU 4 5.393 -1.116 -6.829 28 HB2 GLU 4 1HB GLU 4 5.776 -2.780 -5.203 29 HB3 GLU 4 2HB GLU 4 6.165 -1.232 -4.469 30 HG2 GLU 4 1HG GLU 4 3.461 -2.500 -3.963 31 HG3 GLU 4 2HG GLU 4 4.895 -3.085 -3.125 32 HE2 GLU 4 HE2 GLU 4 4.184 -2.490 -1.338 33 H GLN 5 H GLN 5 2.214 -0.715 -5.407 34 HA GLN 5 HA GLN 5 1.016 -3.140 -6.294 35 HB2 GLN 5 1HB GLN 5 0.076 -1.467 -4.689 36 HB3 GLN 5 2HB GLN 5 -0.202 -0.371 -6.035 37 HG2 GLN 5 1HG GLN 5 -1.770 -1.982 -7.027 38 HG3 GLN 5 2HG GLN 5 -1.514 -3.057 -5.637 39 HE21 GLN 5 2HE2 GLN 5 -3.822 -1.275 -6.761 40 HE22 GLN 5 1HE2 GLN 5 -4.410 -0.459 -5.338 41 H CYS 6 H CYS 6 1.394 0.076 -7.894 42 HA CYS 6 HA CYS 6 0.122 -0.964 -10.327 43 HB2 CYS 6 1HB CYS 6 1.558 1.656 -9.788 44 HB3 CYS 6 2HB CYS 6 0.631 1.264 -11.244 45 H CYS 7 H CYS 7 3.322 -0.868 -9.041 46 HA CYS 7 HA CYS 7 4.664 -0.983 -11.595 47 HB2 CYS 7 1HB CYS 7 5.707 -0.331 -9.375 48 HB3 CYS 7 2HB CYS 7 5.605 -2.026 -8.894 49 H THR 8 H THR 8 3.548 -3.408 -9.180 50 HA THR 8 HA THR 8 4.446 -5.583 -10.936 51 HB THR 8 HB THR 8 4.684 -5.622 -8.396 52 HG1 THR 8 HG1 THR 8 4.825 -7.495 -9.747 53 HG21 THR 8 1HG2 THR 8 2.278 -4.881 -7.954 54 HG22 THR 8 2HG2 THR 8 2.843 -6.293 -7.039 55 HG23 THR 8 3HG2 THR 8 1.788 -6.518 -8.446 56 H SER 9 H SER 9 1.401 -3.950 -10.225 57 HA SER 9 HA SER 9 0.091 -5.944 -12.023 58 HB2 SER 9 1HB SER 9 -1.108 -4.558 -9.572 59 HB3 SER 9 2HB SER 9 -2.008 -5.590 -10.701 60 HG SER 9 HG SER 9 -1.168 -6.638 -8.748 61 H ILE 10 H ILE 10 -2.165 -4.931 -12.766 62 HA ILE 10 HA ILE 10 -1.098 -3.093 -14.659 63 HB ILE 10 HB ILE 10 -3.952 -4.043 -14.203 64 HG12 ILE 10 1HG1 ILE 10 -2.284 -5.819 -14.707 65 HG13 ILE 10 2HG1 ILE 10 -3.532 -5.651 -15.939 66 HG21 ILE 10 1HG2 ILE 10 -4.143 -2.006 -15.485 67 HG22 ILE 10 2HG2 ILE 10 -2.784 -2.458 -16.530 68 HG23 ILE 10 3HG2 ILE 10 -4.324 -3.355 -16.618 69 HD11 ILE 10 3HD1 ILE 10 -0.716 -4.531 -16.176 70 HD12 ILE 10 1HD1 ILE 10 -1.288 -6.048 -16.897 71 HD13 ILE 10 2HD1 ILE 10 -1.968 -4.499 -17.422 72 H CYS 11 H CYS 11 -3.433 -2.462 -12.021 73 HA CYS 11 HA CYS 11 -4.406 -0.527 -11.294 74 HB2 CYS 11 1HB CYS 11 -1.712 0.494 -12.148 75 HB3 CYS 11 2HB CYS 11 -2.967 1.617 -11.615 76 H SER 12 H SER 12 -6.174 -0.545 -12.645 77 HA SER 12 HA SER 12 -6.231 0.690 -15.246 78 HB2 SER 12 1HB SER 12 -8.703 0.712 -14.834 79 HB3 SER 12 2HB SER 12 -7.966 -0.874 -14.512 80 HG SER 12 HG SER 12 -9.276 -0.406 -12.789 81 H LEU 13 H LEU 13 -7.611 2.719 -15.622 82 HA LEU 13 HA LEU 13 -6.312 4.917 -14.525 83 HB2 LEU 13 1HB LEU 13 -7.946 6.284 -15.616 84 HB3 LEU 13 2HB LEU 13 -7.542 4.910 -16.632 85 HG LEU 13 HG LEU 13 -9.785 3.960 -15.380 86 HD11 LEU 13 1HD1 LEU 13 -10.195 6.955 -15.791 87 HD12 LEU 13 2HD1 LEU 13 -10.220 6.098 -14.231 88 HD13 LEU 13 3HD1 LEU 13 -11.472 5.766 -15.442 89 HD21 LEU 13 3HD2 LEU 13 -9.291 3.905 -17.786 90 HD22 LEU 13 1HD2 LEU 13 -9.653 5.646 -17.910 91 HD23 LEU 13 2HD2 LEU 13 -10.940 4.493 -17.486 92 H TYR 14 H TYR 14 -9.113 3.262 -13.180 93 HA TYR 14 HA TYR 14 -9.966 5.385 -11.464 94 HB2 TYR 14 1HB TYR 14 -10.194 2.406 -10.968 95 HB3 TYR 14 2HB TYR 14 -11.246 3.683 -10.348 96 HD1 TYR 14 HD1 TYR 14 -12.547 5.095 -12.169 97 HD2 TYR 14 HD2 TYR 14 -10.728 1.275 -12.947 98 HE1 TYR 14 HE1 TYR 14 -13.974 4.825 -14.201 99 HE2 TYR 14 HE2 TYR 14 -12.155 1.017 -14.989 100 HH TYR 14 HH TYR 14 -13.823 1.933 -16.274 101 H GLN 15 H GLN 15 -7.567 2.802 -11.137 102 HA GLN 15 HA GLN 15 -6.987 3.328 -8.321 103 HB2 GLN 15 1HB GLN 15 -5.404 1.914 -10.507 104 HB3 GLN 15 2HB GLN 15 -4.996 1.893 -8.793 105 HG2 GLN 15 1HG GLN 15 -7.607 0.805 -9.937 106 HG3 GLN 15 2HG GLN 15 -6.161 -0.171 -9.638 107 HE21 GLN 15 2HE2 GLN 15 -9.058 0.332 -8.387 108 HE22 GLN 15 1HE2 GLN 15 -8.700 0.186 -6.683 109 H LEU 16 H LEU 16 -5.714 4.253 -11.501 110 HA LEU 16 HA LEU 16 -3.428 5.655 -10.549 111 HB2 LEU 16 1HB LEU 16 -5.025 5.937 -13.097 112 HB3 LEU 16 2HB LEU 16 -3.508 6.773 -12.793 113 HG LEU 16 HG LEU 16 -3.824 3.749 -12.817 114 HD11 LEU 16 1HD1 LEU 16 -2.652 5.605 -14.921 115 HD12 LEU 16 2HD1 LEU 16 -4.187 4.711 -15.049 116 HD13 LEU 16 3HD1 LEU 16 -2.656 3.825 -14.969 117 HD21 LEU 16 3HD2 LEU 16 -1.350 5.524 -12.690 118 HD22 LEU 16 1HD2 LEU 16 -1.328 3.765 -12.953 119 HD23 LEU 16 2HD2 LEU 16 -1.935 4.418 -11.424 120 H GLU 17 H GLU 17 -6.803 6.683 -10.852 121 HA GLU 17 HA GLU 17 -6.488 9.483 -10.677 122 HB2 GLU 17 1HB GLU 17 -8.560 7.592 -9.542 123 HB3 GLU 17 2HB GLU 17 -8.682 9.332 -9.319 124 HG2 GLU 17 1HG GLU 17 -8.330 8.306 -12.101 125 HG3 GLU 17 2HG GLU 17 -9.895 8.089 -11.312 126 HE2 GLU 17 HE2 GLU 17 -11.133 9.533 -11.520 127 H ASN 18 H ASN 18 -5.909 7.073 -8.166 128 HA ASN 18 HA ASN 18 -6.133 8.819 -5.910 129 HB2 ASN 18 1HB ASN 18 -4.586 6.265 -6.387 130 HB3 ASN 18 2HB ASN 18 -4.587 7.110 -4.830 131 HD21 ASN 18 2HD2 ASN 18 -6.205 4.921 -6.853 132 HD22 ASN 18 1HD2 ASN 18 -7.646 4.738 -5.874 133 H TYR 19 H TYR 19 -3.589 8.468 -8.312 134 HA TYR 19 HA TYR 19 -1.488 9.728 -6.690 135 HB2 TYR 19 1HB TYR 19 -1.844 9.160 -9.632 136 HB3 TYR 19 2HB TYR 19 -0.420 9.945 -8.986 137 HD1 TYR 19 HD2 TYR 19 -2.204 6.735 -9.268 138 HD2 TYR 19 HD1 TYR 19 1.263 8.749 -7.731 139 HE1 TYR 19 HE2 TYR 19 -1.060 4.545 -8.973 140 HE2 TYR 19 HE1 TYR 19 2.392 6.561 -7.436 141 HH TYR 19 HH TYR 19 2.282 4.302 -7.807 142 H CYS 20 H CYS 20 -4.269 10.901 -8.333 143 HA CYS 20 HA CYS 20 -3.082 13.100 -9.731 144 HB2 CYS 20 1HB CYS 20 -5.453 11.846 -9.871 145 HB3 CYS 20 2HB CYS 20 -5.940 13.241 -8.902 146 H ASN 21 H ASN 21 -3.152 15.327 -9.343 147 HA ASN 21 HA ASN 21 -2.542 16.031 -6.624 148 HB2 ASN 21 1HB ASN 21 -1.658 17.198 -8.751 149 HB3 ASN 21 2HB ASN 21 -3.221 18.016 -8.838 150 HD21 ASN 21 2HD2 ASN 21 -3.086 20.008 -8.034 151 HD22 ASN 21 1HD2 ASN 21 -2.161 20.459 -6.624 152 HXT ASN 21 H02 ASN 21 -6.257 16.979 -6.972 153 H1 PHE 1 3H0 PHE 1 -8.300 3.803 -22.914 154 H2 PHE 1 2H0 PHE 1 -7.518 3.046 -24.156 155 H3 PHE 1 1H0 PHE 1 -8.549 2.194 -23.192 156 HA PHE 1 HA PHE 1 -5.992 3.397 -22.351 157 HB2 PHE 1 1HB PHE 1 -7.967 3.302 -20.684 158 HB3 PHE 1 2HB PHE 1 -7.792 1.546 -20.750 159 HD1 PHE 1 HD1 PHE 1 -6.147 4.732 -19.755 160 HD2 PHE 1 HD2 PHE 1 -5.965 0.427 -19.594 161 HE1 PHE 1 HE1 PHE 1 -4.366 4.878 -18.023 162 HE2 PHE 1 HE2 PHE 1 -4.175 0.570 -17.864 163 HZ PHE 1 HZ PHE 1 -3.366 2.797 -17.085 164 H VAL 2 H VAL 2 -4.277 1.819 -21.999 165 HA VAL 2 HA VAL 2 -4.840 -0.854 -23.235 166 HB VAL 2 HB VAL 2 -2.277 0.811 -23.479 167 HG11 VAL 2 1HG1 VAL 2 -1.516 -1.012 -24.996 168 HG12 VAL 2 2HG1 VAL 2 -1.792 -1.605 -23.348 169 HG13 VAL 2 3HG1 VAL 2 -2.991 -1.933 -24.624 170 HG21 VAL 2 3HG2 VAL 2 -3.999 1.714 -24.960 171 HG22 VAL 2 1HG2 VAL 2 -2.809 0.827 -25.929 172 HG23 VAL 2 2HG2 VAL 2 -4.386 0.084 -25.564 173 H ASN 3 H ASN 3 -4.486 -2.445 -21.774 174 HA ASN 3 HA ASN 3 -3.577 -1.778 -19.134 175 HB2 ASN 3 1HB ASN 3 -3.966 -4.461 -20.504 176 HB3 ASN 3 2HB ASN 3 -3.507 -4.271 -18.807 177 HD21 ASN 3 2HD2 ASN 3 -5.924 -5.475 -19.993 178 HD22 ASN 3 1HD2 ASN 3 -7.267 -4.589 -19.311 179 H GLN 4 H GLN 4 -1.636 -1.633 -18.340 180 HA GLN 4 HA GLN 4 0.487 -3.469 -19.108 181 HB2 GLN 4 1HB GLN 4 2.076 -1.641 -19.716 182 HB3 GLN 4 2HB GLN 4 0.762 -1.792 -20.886 183 HG2 GLN 4 1HG GLN 4 -0.409 0.106 -19.623 184 HG3 GLN 4 2HG GLN 4 1.119 0.344 -18.782 185 HE21 GLN 4 2HE2 GLN 4 -0.663 0.732 -21.700 186 HE22 GLN 4 1HE2 GLN 4 0.552 1.655 -22.563 187 H HIS 5 H HIS 5 1.964 -3.513 -17.390 188 HA HIS 5 HA HIS 5 1.175 -2.319 -14.847 189 HB2 HIS 5 1HB HIS 5 3.837 -3.501 -15.711 190 HB3 HIS 5 2HB HIS 5 3.320 -3.158 -14.056 191 HD1 HIS 5 HD1 HIS 5 0.583 -4.353 -13.878 192 HD2 HIS 5 HD2 HIS 5 3.660 -6.222 -15.899 193 HE1 HIS 5 HE1 HIS 5 0.002 -6.848 -13.992 194 HE2 HIS 5 HE2 HIS 5 1.906 -7.957 -15.212 195 H LEU 6 H LEU 6 2.010 -0.536 -13.789 196 HA LEU 6 HA LEU 6 3.477 1.366 -15.591 197 HB2 LEU 6 1HB LEU 6 1.256 1.729 -13.576 198 HB3 LEU 6 2HB LEU 6 2.330 3.039 -13.970 199 HG LEU 6 HG LEU 6 0.738 3.650 -15.359 200 HD11 LEU 6 1HD1 LEU 6 0.845 2.786 -17.661 201 HD12 LEU 6 2HD1 LEU 6 1.789 1.393 -17.100 202 HD13 LEU 6 3HD1 LEU 6 2.460 3.033 -16.982 203 HD21 LEU 6 3HD2 LEU 6 -1.023 2.191 -16.257 204 HD22 LEU 6 1HD2 LEU 6 -0.865 2.059 -14.497 205 HD23 LEU 6 2HD2 LEU 6 -0.207 0.787 -15.539 206 H CYS 7 H CYS 7 5.517 1.331 -14.989 207 HA CYS 7 HA CYS 7 6.097 2.028 -12.159 208 HB2 CYS 7 1HB CYS 7 6.355 -0.519 -12.890 209 HB3 CYS 7 2HB CYS 7 7.860 0.065 -13.609 210 H GLY 8 H GLY 8 8.121 3.197 -11.948 211 HA2 GLY 8 1HA GLY 8 9.711 4.711 -12.684 212 HA3 GLY 8 2HA GLY 8 9.858 3.705 -14.136 213 H SER 9 H SER 9 10.012 5.338 -15.641 214 HA SER 9 HA SER 9 8.422 7.659 -15.736 215 HB2 SER 9 1HB SER 9 9.286 6.355 -18.283 216 HB3 SER 9 2HB SER 9 9.496 8.033 -17.730 217 HG SER 9 HG SER 9 11.487 7.058 -17.596 218 H HIS 10 H HIS 10 7.614 4.362 -16.770 219 HA HIS 10 HA HIS 10 5.513 5.072 -18.585 220 HB2 HIS 10 1HB HIS 10 6.389 2.649 -17.142 221 HB3 HIS 10 2HB HIS 10 4.657 2.711 -17.457 222 HD1 HIS 10 HD1 HIS 10 3.850 2.187 -19.827 223 HD2 HIS 10 HD2 HIS 10 8.004 2.748 -19.569 224 HE1 HIS 10 HE1 HIS 10 4.818 1.548 -22.070 225 HE2 HIS 10 HE2 HIS 10 7.324 1.900 -21.917 226 H LEU 11 H LEU 11 5.602 4.786 -15.040 227 HA LEU 11 HA LEU 11 2.749 4.934 -14.675 228 HB2 LEU 11 1HB LEU 11 4.304 4.180 -12.918 229 HB3 LEU 11 2HB LEU 11 5.063 5.763 -12.893 230 HG LEU 11 HG LEU 11 3.054 6.776 -11.960 231 HD11 LEU 11 1HD1 LEU 11 1.901 3.961 -11.883 232 HD12 LEU 11 2HD1 LEU 11 1.309 5.307 -12.892 233 HD13 LEU 11 3HD1 LEU 11 1.195 5.407 -11.128 234 HD21 LEU 11 3HD2 LEU 11 3.936 4.277 -10.465 235 HD22 LEU 11 1HD2 LEU 11 3.243 5.753 -9.756 236 HD23 LEU 11 2HD2 LEU 11 4.835 5.813 -10.531 237 H VAL 12 H VAL 12 5.354 7.360 -14.786 238 HA VAL 12 HA VAL 12 3.710 9.611 -14.216 239 HB VAL 12 HB VAL 12 6.275 9.451 -15.878 240 HG11 VAL 12 1HG1 VAL 12 6.606 11.787 -15.275 241 HG12 VAL 12 2HG1 VAL 12 5.065 11.588 -16.131 242 HG13 VAL 12 3HG1 VAL 12 5.077 11.795 -14.367 243 HG21 VAL 12 3HG2 VAL 12 5.842 9.817 -12.880 244 HG22 VAL 12 1HG2 VAL 12 6.649 8.451 -13.688 245 HG23 VAL 12 2HG2 VAL 12 7.397 10.058 -13.712 246 H GLU 13 H GLU 13 4.645 8.058 -17.306 247 HA GLU 13 HA GLU 13 3.413 9.983 -19.024 248 HB2 GLU 13 1HB GLU 13 4.005 7.024 -19.343 249 HB3 GLU 13 2HB GLU 13 3.364 8.022 -20.650 250 HG2 GLU 13 1HG GLU 13 5.338 9.412 -20.650 251 HG3 GLU 13 2HG GLU 13 5.968 8.609 -19.210 252 HE2 GLU 13 HE2 GLU 13 6.833 7.229 -22.670 253 H ALA 14 H ALA 14 2.149 7.118 -17.337 254 HA ALA 14 HA ALA 14 -0.367 7.132 -18.770 255 HB1 ALA 14 3HB ALA 14 0.392 5.919 -16.087 256 HB2 ALA 14 1HB ALA 14 -1.064 5.533 -17.038 257 HB3 ALA 14 2HB ALA 14 0.549 5.130 -17.673 258 H LEU 15 H LEU 15 0.829 8.532 -15.725 259 HA LEU 15 HA LEU 15 -1.745 9.336 -14.777 260 HB2 LEU 15 1HB LEU 15 1.070 10.244 -14.174 261 HB3 LEU 15 2HB LEU 15 -0.338 10.937 -13.371 262 HG LEU 15 HG LEU 15 0.352 7.986 -13.306 263 HD11 LEU 15 1HD1 LEU 15 2.068 9.340 -12.161 264 HD12 LEU 15 2HD1 LEU 15 1.116 8.363 -11.025 265 HD13 LEU 15 3HD1 LEU 15 0.794 10.105 -11.182 266 HD21 LEU 15 3HD2 LEU 15 -1.654 9.671 -11.807 267 HD22 LEU 15 1HD2 LEU 15 -1.273 7.969 -11.453 268 HD23 LEU 15 2HD2 LEU 15 -2.002 8.402 -12.999 269 H TYR 16 H TYR 16 0.514 10.895 -17.018 270 HA TYR 16 HA TYR 16 -0.725 13.481 -16.977 271 HB2 TYR 16 1HB TYR 16 0.795 11.921 -19.080 272 HB3 TYR 16 2HB TYR 16 0.009 13.449 -19.482 273 HD1 TYR 16 HD1 TYR 16 0.538 15.485 -17.845 274 HD2 TYR 16 HD2 TYR 16 3.039 12.017 -18.327 275 HE1 TYR 16 HE1 TYR 16 2.494 16.767 -16.978 276 HE2 TYR 16 HE2 TYR 16 4.994 13.322 -17.485 277 HH TYR 16 HH TYR 16 4.722 16.717 -16.454 278 H LEU 17 H LEU 17 -1.570 10.443 -18.643 279 HA LEU 17 HA LEU 17 -3.651 11.667 -20.226 280 HB2 LEU 17 1HB LEU 17 -3.351 8.790 -19.333 281 HB3 LEU 17 2HB LEU 17 -4.411 9.387 -20.595 282 HG LEU 17 HG LEU 17 -1.379 9.512 -20.709 283 HD11 LEU 17 1HD1 LEU 17 -2.193 7.184 -20.617 284 HD12 LEU 17 2HD1 LEU 17 -1.537 7.579 -22.220 285 HD13 LEU 17 3HD1 LEU 17 -3.300 7.516 -21.975 286 HD21 LEU 17 3HD2 LEU 17 -2.448 11.176 -22.155 287 HD22 LEU 17 1HD2 LEU 17 -3.508 9.926 -22.849 288 HD23 LEU 17 2HD2 LEU 17 -1.753 9.874 -23.136 289 H VAL 18 H VAL 18 -3.609 9.917 -17.114 290 HA VAL 18 HA VAL 18 -6.490 9.794 -16.944 291 HB VAL 18 HB VAL 18 -4.355 9.456 -14.778 292 HG11 VAL 18 1HG1 VAL 18 -6.145 8.208 -13.543 293 HG12 VAL 18 2HG1 VAL 18 -6.509 9.935 -13.717 294 HG13 VAL 18 3HG1 VAL 18 -7.326 8.746 -14.760 295 HG21 VAL 18 3HG2 VAL 18 -4.806 7.027 -15.148 296 HG22 VAL 18 1HG2 VAL 18 -5.854 7.448 -16.517 297 HG23 VAL 18 2HG2 VAL 18 -4.116 7.814 -16.570 298 H CYS 19 H CYS 19 -4.018 11.949 -15.483 299 HA CYS 19 HA CYS 19 -6.105 13.464 -14.123 300 HB2 CYS 19 1HB CYS 19 -3.135 13.860 -14.466 301 HB3 CYS 19 2HB CYS 19 -4.177 15.015 -13.613 302 H GLY 20 H GLY 20 -4.521 13.596 -17.269 303 HA2 GLY 20 1HA GLY 20 -4.782 15.128 -18.974 304 HA3 GLY 20 2HA GLY 20 -6.305 15.617 -18.196 305 H GLU 21 H GLU 21 -6.189 17.790 -18.255 306 HA GLU 21 HA GLU 21 -3.779 19.284 -17.811 307 HB2 GLU 21 1HB GLU 21 -6.702 20.097 -17.766 308 HB3 GLU 21 2HB GLU 21 -5.344 21.229 -17.740 309 HG2 GLU 21 1HG GLU 21 -4.586 20.374 -19.935 310 HG3 GLU 21 2HG GLU 21 -5.966 19.265 -19.979 311 HE2 GLU 21 HE2 GLU 21 -5.460 21.007 -21.797 312 H ARG 22 H ARG 22 -5.743 17.711 -15.481 313 HA ARG 22 HA ARG 22 -5.699 19.756 -13.431 314 HB2 ARG 22 1HB ARG 22 -5.957 16.743 -13.243 315 HB3 ARG 22 2HB ARG 22 -6.156 17.848 -11.884 316 HG2 ARG 22 1HG ARG 22 -8.062 18.915 -12.952 317 HG3 ARG 22 2HG ARG 22 -7.867 17.894 -14.394 318 HD2 ARG 22 1HD ARG 22 -8.315 16.797 -11.604 319 HD3 ARG 22 2HD ARG 22 -9.630 17.122 -12.753 320 HE ARG 22 HE ARG 22 -7.888 15.562 -14.204 321 HH11 ARG 22 1HH1 ARG 22 -9.435 15.077 -11.056 322 HH12 ARG 22 2HH1 ARG 22 -9.486 13.343 -11.255 323 HH21 ARG 22 1HH2 ARG 22 -8.057 13.329 -14.381 324 HH22 ARG 22 2HH2 ARG 22 -8.704 12.393 -13.055 325 H GLY 23 H GLY 23 -3.361 17.390 -14.518 326 HA2 GLY 23 1HA GLY 23 -1.125 17.228 -13.914 327 HA3 GLY 23 2HA GLY 23 -1.360 18.528 -12.738 328 H PHE 24 H PHE 24 0.259 16.558 -12.006 329 HA PHE 24 HA PHE 24 -1.069 15.314 -9.729 330 HB2 PHE 24 1HB PHE 24 -0.455 13.030 -10.305 331 HB3 PHE 24 2HB PHE 24 -1.546 13.666 -11.531 332 HD1 PHE 24 HD1 PHE 24 -0.699 14.305 -13.768 333 HD2 PHE 24 HD2 PHE 24 1.810 12.429 -10.832 334 HE1 PHE 24 HE1 PHE 24 0.957 13.771 -15.528 335 HE2 PHE 24 HE2 PHE 24 3.467 11.873 -12.591 336 HZ PHE 24 HZ PHE 24 3.045 12.563 -14.961 337 H PHE 25 H PHE 25 0.804 13.918 -8.649 338 HA PHE 25 HA PHE 25 3.462 15.052 -9.339 339 HB2 PHE 25 1HB PHE 25 3.945 15.437 -6.953 340 HB3 PHE 25 2HB PHE 25 2.617 16.459 -7.508 341 HD1 PHE 25 HD2 PHE 25 0.299 16.051 -6.759 342 HD2 PHE 25 HD1 PHE 25 3.577 13.665 -5.318 343 HE1 PHE 25 HE2 PHE 25 -1.153 15.171 -4.946 344 HE2 PHE 25 HE1 PHE 25 2.135 12.785 -3.485 345 HZ PHE 25 HZ PHE 25 -0.242 13.528 -3.307 346 H TYR 26 H TYR 26 5.180 13.694 -8.294 347 HA TYR 26 HA TYR 26 4.271 10.994 -7.480 348 HB2 TYR 26 1HB TYR 26 4.551 10.771 -9.902 349 HB3 TYR 26 2HB TYR 26 6.136 11.559 -9.819 350 HD1 TYR 26 HD1 TYR 26 4.270 8.587 -8.448 351 HD2 TYR 26 HD2 TYR 26 8.092 10.239 -9.552 352 HE1 TYR 26 HE1 TYR 26 5.362 6.392 -8.002 353 HE2 TYR 26 HE2 TYR 26 9.161 8.031 -9.132 354 HH TYR 26 HH TYR 26 8.853 5.856 -8.533 355 H THR 27 H THR 27 5.701 10.082 -6.036 356 HA THR 27 HA THR 27 8.142 11.691 -5.467 357 HB THR 27 HB THR 27 7.942 10.859 -3.104 358 HG1 THR 27 HG1 THR 27 5.238 10.350 -3.466 359 HG21 THR 27 1HG2 THR 27 6.153 12.396 -2.448 360 HG22 THR 27 2HG2 THR 27 5.506 12.396 -4.107 361 HG23 THR 27 3HG2 THR 27 7.101 13.110 -3.772 362 HA PRO 28 HA PRO 28 9.769 7.784 -6.789 363 HB2 PRO 28 1HB PRO 28 12.433 8.289 -6.668 364 HB3 PRO 28 2HB PRO 28 11.389 9.055 -7.905 365 HG2 PRO 28 1HG PRO 28 12.291 10.161 -5.254 366 HG3 PRO 28 2HG PRO 28 12.426 10.897 -6.885 367 HD2 PRO 28 1HD PRO 28 10.398 11.529 -5.218 368 HD3 PRO 28 2HD PRO 28 10.129 11.369 -6.989 369 H LYS 29 H LYS 29 11.210 6.045 -5.943 370 HA LYS 29 HA LYS 29 11.622 6.181 -2.990 371 HB2 LYS 29 1HB LYS 29 10.319 3.907 -4.549 372 HB3 LYS 29 2HB LYS 29 10.770 3.839 -2.843 373 HG2 LYS 29 1HG LYS 29 8.756 5.806 -4.000 374 HG3 LYS 29 2HG LYS 29 8.318 4.257 -3.272 375 HD2 LYS 29 1HD LYS 29 9.092 4.917 -1.109 376 HD3 LYS 29 2HD LYS 29 9.933 6.338 -1.750 377 HE2 LYS 29 1HE LYS 29 6.922 5.992 -1.895 378 HE3 LYS 29 2HE LYS 29 7.767 6.846 -0.581 379 HZ1 LYS 29 3HZ LYS 29 8.767 8.280 -2.319 380 HZ2 LYS 29 1HZ LYS 29 7.122 8.434 -2.238 381 HZ3 LYS 29 2HZ LYS 29 7.816 7.570 -3.458 382 H THR 30 H THR 30 13.794 6.289 -3.042 383 HA THR 30 HA THR 30 15.359 4.643 -4.897 384 HB THR 30 HB THR 30 17.212 5.863 -3.377 385 HG1 THR 30 HG1 THR 30 16.301 7.793 -2.537 386 HG21 THR 30 1HG2 THR 30 16.756 6.388 -5.812 387 HG22 THR 30 2HG2 THR 30 17.040 7.860 -4.874 388 HG23 THR 30 3HG2 THR 30 15.387 7.413 -5.329 389 HXT THR 30 H02 THR 30 15.434 3.027 -1.410 Start of MODEL 31 1 H1 GLY 1 3H0 GLY 1 0.912 -2.102 -1.058 2 H2 GLY 1 2H0 GLY 1 2.460 -2.031 -1.620 3 H3 GLY 1 1H0 GLY 1 2.149 -1.754 -0.025 4 HA2 GLY 1 1HA GLY 1 0.930 0.252 -0.529 5 HA3 GLY 1 2HA GLY 1 2.591 0.329 -1.147 6 H ILE 2 H ILE 2 0.635 2.018 -2.262 7 HA ILE 2 HA ILE 2 -0.746 0.809 -4.438 8 HB ILE 2 HB ILE 2 -1.336 2.987 -3.374 9 HG12 ILE 2 1HG1 ILE 2 -0.973 3.014 -6.387 10 HG13 ILE 2 2HG1 ILE 2 -2.273 2.217 -5.509 11 HG21 ILE 2 1HG2 ILE 2 -0.210 5.060 -3.942 12 HG22 ILE 2 2HG2 ILE 2 1.014 3.954 -3.302 13 HG23 ILE 2 3HG2 ILE 2 0.896 4.235 -5.056 14 HD11 ILE 2 3HD1 ILE 2 -2.976 4.475 -4.638 15 HD12 ILE 2 1HD1 ILE 2 -1.765 5.208 -5.727 16 HD13 ILE 2 2HD1 ILE 2 -3.114 4.270 -6.397 17 H VAL 3 H VAL 3 2.482 2.397 -4.396 18 HA VAL 3 HA VAL 3 2.802 2.188 -7.231 19 HB VAL 3 HB VAL 3 4.112 3.751 -5.820 20 HG11 VAL 3 1HG1 VAL 3 5.658 1.299 -4.876 21 HG12 VAL 3 2HG1 VAL 3 6.029 2.996 -4.506 22 HG13 VAL 3 3HG1 VAL 3 4.537 2.268 -3.882 23 HG21 VAL 3 3HG2 VAL 3 6.245 3.501 -6.989 24 HG22 VAL 3 1HG2 VAL 3 5.863 1.808 -7.381 25 HG23 VAL 3 2HG2 VAL 3 4.894 3.122 -8.083 26 H GLU 4 H GLU 4 3.380 -0.046 -4.588 27 HA GLU 4 HA GLU 4 4.912 -1.955 -6.046 28 HB2 GLU 4 1HB GLU 4 4.583 -1.847 -3.555 29 HB3 GLU 4 2HB GLU 4 2.925 -2.381 -3.796 30 HG2 GLU 4 1HG GLU 4 3.781 -4.502 -4.773 31 HG3 GLU 4 2HG GLU 4 5.421 -3.973 -4.358 32 HE2 GLU 4 HE2 GLU 4 5.037 -5.994 -3.314 33 H GLN 5 H GLN 5 1.378 -1.576 -5.496 34 HA GLN 5 HA GLN 5 0.646 -3.893 -7.019 35 HB2 GLN 5 1HB GLN 5 -0.825 -1.369 -6.213 36 HB3 GLN 5 2HB GLN 5 -1.585 -2.606 -7.214 37 HG2 GLN 5 1HG GLN 5 -0.417 -3.147 -4.462 38 HG3 GLN 5 2HG GLN 5 -2.116 -2.774 -4.771 39 HE21 GLN 5 2HE2 GLN 5 -1.591 -5.094 -3.513 40 HE22 GLN 5 1HE2 GLN 5 -1.843 -6.449 -4.585 41 H CYS 6 H CYS 6 1.124 -0.454 -7.926 42 HA CYS 6 HA CYS 6 0.089 -0.867 -10.582 43 HB2 CYS 6 1HB CYS 6 1.719 1.283 -9.247 44 HB3 CYS 6 2HB CYS 6 1.482 1.294 -11.005 45 H CYS 7 H CYS 7 3.348 -1.161 -9.192 46 HA CYS 7 HA CYS 7 4.604 -1.446 -11.781 47 HB2 CYS 7 1HB CYS 7 5.506 -2.158 -8.972 48 HB3 CYS 7 2HB CYS 7 6.525 -2.330 -10.407 49 H THR 8 H THR 8 3.576 -3.817 -9.243 50 HA THR 8 HA THR 8 4.530 -5.990 -10.975 51 HB THR 8 HB THR 8 4.772 -5.910 -8.405 52 HG1 THR 8 HG1 THR 8 3.754 -8.151 -9.830 53 HG21 THR 8 1HG2 THR 8 2.258 -5.473 -8.028 54 HG22 THR 8 2HG2 THR 8 3.000 -6.762 -7.058 55 HG23 THR 8 3HG2 THR 8 2.010 -7.177 -8.470 56 H SER 9 H SER 9 1.492 -4.406 -10.440 57 HA SER 9 HA SER 9 0.195 -6.523 -12.069 58 HB2 SER 9 1HB SER 9 -0.264 -6.855 -9.552 59 HB3 SER 9 2HB SER 9 -1.133 -5.306 -9.592 60 HG SER 9 HG SER 9 -2.455 -7.215 -9.922 61 H ILE 10 H ILE 10 -2.344 -5.433 -12.182 62 HA ILE 10 HA ILE 10 -1.626 -3.468 -14.192 63 HB ILE 10 HB ILE 10 -4.324 -4.574 -13.328 64 HG12 ILE 10 1HG1 ILE 10 -2.790 -6.263 -14.258 65 HG13 ILE 10 2HG1 ILE 10 -4.184 -5.981 -15.298 66 HG21 ILE 10 1HG2 ILE 10 -5.154 -3.678 -15.524 67 HG22 ILE 10 2HG2 ILE 10 -4.734 -2.423 -14.355 68 HG23 ILE 10 3HG2 ILE 10 -3.624 -2.783 -15.694 69 HD11 ILE 10 3HD1 ILE 10 -2.114 -6.263 -16.597 70 HD12 ILE 10 1HD1 ILE 10 -2.794 -4.647 -16.835 71 HD13 ILE 10 2HD1 ILE 10 -1.393 -4.866 -15.779 72 H CYS 11 H CYS 11 -1.330 -1.427 -13.900 73 HA CYS 11 HA CYS 11 -2.635 -0.017 -11.657 74 HB2 CYS 11 1HB CYS 11 -0.185 0.278 -12.518 75 HB3 CYS 11 2HB CYS 11 -0.919 1.216 -13.811 76 H SER 12 H SER 12 -4.784 -0.354 -12.418 77 HA SER 12 HA SER 12 -5.640 0.467 -15.057 78 HB2 SER 12 1HB SER 12 -7.910 0.205 -14.097 79 HB3 SER 12 2HB SER 12 -6.873 -1.184 -13.703 80 HG SER 12 HG SER 12 -7.715 -0.671 -11.788 81 H LEU 13 H LEU 13 -7.371 2.243 -15.283 82 HA LEU 13 HA LEU 13 -6.246 4.736 -14.598 83 HB2 LEU 13 1HB LEU 13 -8.209 5.733 -15.482 84 HB3 LEU 13 2HB LEU 13 -7.841 4.311 -16.444 85 HG LEU 13 HG LEU 13 -9.652 3.255 -14.688 86 HD11 LEU 13 1HD1 LEU 13 -10.122 5.425 -13.624 87 HD12 LEU 13 2HD1 LEU 13 -11.534 4.867 -14.538 88 HD13 LEU 13 3HD1 LEU 13 -10.493 6.142 -15.210 89 HD21 LEU 13 3HD2 LEU 13 -11.273 3.463 -16.527 90 HD22 LEU 13 1HD2 LEU 13 -9.664 3.003 -17.118 91 HD23 LEU 13 2HD2 LEU 13 -10.236 4.682 -17.307 92 H TYR 14 H TYR 14 -8.456 2.694 -12.774 93 HA TYR 14 HA TYR 14 -9.339 4.716 -10.942 94 HB2 TYR 14 1HB TYR 14 -9.057 1.753 -10.396 95 HB3 TYR 14 2HB TYR 14 -10.204 2.883 -9.669 96 HD1 TYR 14 HD2 TYR 14 -11.908 4.024 -11.368 97 HD2 TYR 14 HD1 TYR 14 -9.687 0.439 -12.222 98 HE1 TYR 14 HE2 TYR 14 -13.528 3.445 -13.179 99 HE2 TYR 14 HE1 TYR 14 -11.309 -0.126 -14.041 100 HH TYR 14 HH TYR 14 -13.240 0.476 -15.126 101 H GLN 15 H GLN 15 -6.599 2.436 -10.985 102 HA GLN 15 HA GLN 15 -5.685 3.084 -8.310 103 HB2 GLN 15 1HB GLN 15 -4.239 1.933 -10.731 104 HB3 GLN 15 2HB GLN 15 -3.545 2.045 -9.114 105 HG2 GLN 15 1HG GLN 15 -6.056 0.467 -9.802 106 HG3 GLN 15 2HG GLN 15 -4.426 -0.220 -9.679 107 HE21 GLN 15 2HE2 GLN 15 -7.197 -0.086 -8.052 108 HE22 GLN 15 1HE2 GLN 15 -6.605 -0.069 -6.412 109 H LEU 16 H LEU 16 -4.994 4.209 -11.613 110 HA LEU 16 HA LEU 16 -2.896 6.010 -10.939 111 HB2 LEU 16 1HB LEU 16 -4.859 5.895 -13.226 112 HB3 LEU 16 2HB LEU 16 -3.578 7.105 -13.140 113 HG LEU 16 HG LEU 16 -2.976 4.141 -12.971 114 HD11 LEU 16 1HD1 LEU 16 -4.179 4.577 -15.087 115 HD12 LEU 16 2HD1 LEU 16 -2.492 4.103 -15.329 116 HD13 LEU 16 3HD1 LEU 16 -2.964 5.810 -15.500 117 HD21 LEU 16 3HD2 LEU 16 -0.757 4.868 -13.763 118 HD22 LEU 16 1HD2 LEU 16 -1.193 5.674 -12.248 119 HD23 LEU 16 2HD2 LEU 16 -1.312 6.554 -13.789 120 H GLU 17 H GLU 17 -6.438 6.451 -10.943 121 HA GLU 17 HA GLU 17 -6.498 9.268 -10.667 122 HB2 GLU 17 1HB GLU 17 -8.305 7.050 -9.713 123 HB3 GLU 17 2HB GLU 17 -8.644 8.728 -9.294 124 HG2 GLU 17 1HG GLU 17 -8.175 8.043 -12.170 125 HG3 GLU 17 2HG GLU 17 -9.715 7.605 -11.422 126 HE2 GLU 17 HE2 GLU 17 -10.932 10.673 -11.742 127 H ASN 18 H ASN 18 -5.682 6.815 -8.251 128 HA ASN 18 HA ASN 18 -6.069 8.561 -5.974 129 HB2 ASN 18 1HB ASN 18 -4.552 5.984 -6.382 130 HB3 ASN 18 2HB ASN 18 -4.552 6.841 -4.838 131 HD21 ASN 18 2HD2 ASN 18 -6.291 4.757 -6.934 132 HD22 ASN 18 1HD2 ASN 18 -7.704 4.590 -5.923 133 H TYR 19 H TYR 19 -3.429 8.137 -8.258 134 HA TYR 19 HA TYR 19 -1.425 9.481 -6.559 135 HB2 TYR 19 1HB TYR 19 -1.534 8.843 -9.505 136 HB3 TYR 19 2HB TYR 19 -0.147 9.550 -8.700 137 HD1 TYR 19 HD1 TYR 19 -2.129 6.481 -9.157 138 HD2 TYR 19 HD2 TYR 19 1.336 8.224 -7.325 139 HE1 TYR 19 HE1 TYR 19 -1.211 4.217 -8.747 140 HE2 TYR 19 HE2 TYR 19 2.244 5.957 -6.913 141 HH TYR 19 HH TYR 19 0.494 3.008 -7.953 142 H CYS 20 H CYS 20 -4.074 10.310 -8.550 143 HA CYS 20 HA CYS 20 -2.851 12.574 -9.897 144 HB2 CYS 20 1HB CYS 20 -5.091 10.818 -10.222 145 HB3 CYS 20 2HB CYS 20 -5.681 12.481 -10.257 146 H ASN 21 H ASN 21 -3.735 14.692 -9.996 147 HA ASN 21 HA ASN 21 -4.453 15.848 -7.425 148 HB2 ASN 21 1HB ASN 21 -3.072 17.062 -9.153 149 HB3 ASN 21 2HB ASN 21 -4.472 17.079 -10.227 150 HD21 ASN 21 2HD2 ASN 21 -4.440 19.334 -10.298 151 HD22 ASN 21 1HD2 ASN 21 -5.054 20.257 -8.942 152 HXT ASN 21 H02 ASN 21 -6.064 14.520 -7.194 153 H1 PHE 1 3H0 PHE 1 -9.779 3.777 -22.036 154 H2 PHE 1 2H0 PHE 1 -9.208 2.793 -23.232 155 H3 PHE 1 1H0 PHE 1 -10.069 2.154 -21.980 156 HA PHE 1 HA PHE 1 -7.409 3.410 -21.783 157 HB2 PHE 1 1HB PHE 1 -8.962 3.751 -19.819 158 HB3 PHE 1 2HB PHE 1 -9.051 1.995 -19.643 159 HD1 PHE 1 HD1 PHE 1 -6.764 4.940 -19.480 160 HD2 PHE 1 HD2 PHE 1 -7.291 0.763 -18.551 161 HE1 PHE 1 HE1 PHE 1 -4.693 4.988 -18.099 162 HE2 PHE 1 HE2 PHE 1 -5.216 0.809 -17.176 163 HZ PHE 1 HZ PHE 1 -3.907 2.920 -16.958 164 H VAL 2 H VAL 2 -5.663 1.868 -21.395 165 HA VAL 2 HA VAL 2 -6.393 -0.934 -22.172 166 HB VAL 2 HB VAL 2 -3.828 0.612 -22.826 167 HG11 VAL 2 1HG1 VAL 2 -3.367 -1.780 -22.462 168 HG12 VAL 2 2HG1 VAL 2 -4.693 -2.225 -23.567 169 HG13 VAL 2 3HG1 VAL 2 -3.247 -1.395 -24.189 170 HG21 VAL 2 3HG2 VAL 2 -4.575 0.360 -25.206 171 HG22 VAL 2 1HG2 VAL 2 -6.126 -0.289 -24.626 172 HG23 VAL 2 2HG2 VAL 2 -5.656 1.389 -24.251 173 H ASN 3 H ASN 3 -5.786 -2.441 -20.700 174 HA ASN 3 HA ASN 3 -4.647 -1.571 -18.175 175 HB2 ASN 3 1HB ASN 3 -5.307 -4.293 -19.347 176 HB3 ASN 3 2HB ASN 3 -4.595 -4.078 -17.748 177 HD21 ASN 3 2HD2 ASN 3 -7.250 -5.144 -18.617 178 HD22 ASN 3 1HD2 ASN 3 -8.417 -4.191 -17.734 179 H GLN 4 H GLN 4 -2.568 -1.628 -17.494 180 HA GLN 4 HA GLN 4 -0.660 -3.454 -18.667 181 HB2 GLN 4 1HB GLN 4 0.899 -1.454 -19.219 182 HB3 GLN 4 2HB GLN 4 -0.345 -1.904 -20.389 183 HG2 GLN 4 1HG GLN 4 -1.800 -0.097 -19.495 184 HG3 GLN 4 2HG GLN 4 -0.498 0.407 -18.433 185 HE21 GLN 4 2HE2 GLN 4 -2.037 1.284 -21.067 186 HE22 GLN 4 1HE2 GLN 4 -0.735 1.968 -22.019 187 H HIS 5 H HIS 5 1.108 -3.641 -17.430 188 HA HIS 5 HA HIS 5 1.059 -2.662 -14.671 189 HB2 HIS 5 1HB HIS 5 3.328 -4.017 -16.202 190 HB3 HIS 5 2HB HIS 5 3.205 -3.828 -14.449 191 HD1 HIS 5 HD1 HIS 5 0.513 -4.850 -13.735 192 HD2 HIS 5 HD2 HIS 5 2.801 -6.647 -16.668 193 HE1 HIS 5 HE1 HIS 5 -0.330 -7.260 -13.974 194 HE2 HIS 5 HE2 HIS 5 1.093 -8.327 -15.761 195 H LEU 6 H LEU 6 1.893 -0.719 -13.983 196 HA LEU 6 HA LEU 6 3.727 0.733 -15.828 197 HB2 LEU 6 1HB LEU 6 1.268 1.474 -14.309 198 HB3 LEU 6 2HB LEU 6 2.528 2.669 -14.421 199 HG LEU 6 HG LEU 6 1.902 3.304 -16.381 200 HD11 LEU 6 1HD1 LEU 6 1.479 0.511 -17.423 201 HD12 LEU 6 2HD1 LEU 6 2.967 1.452 -17.597 202 HD13 LEU 6 3HD1 LEU 6 1.487 2.009 -18.378 203 HD21 LEU 6 3HD2 LEU 6 -0.402 2.850 -17.058 204 HD22 LEU 6 1HD2 LEU 6 -0.277 3.023 -15.298 205 HD23 LEU 6 2HD2 LEU 6 -0.421 1.403 -16.025 206 H CYS 7 H CYS 7 5.661 1.008 -15.023 207 HA CYS 7 HA CYS 7 5.916 1.817 -12.176 208 HB2 CYS 7 1HB CYS 7 6.466 -0.714 -12.799 209 HB3 CYS 7 2HB CYS 7 7.957 -0.009 -13.428 210 H GLY 8 H GLY 8 7.959 3.027 -11.822 211 HA2 GLY 8 1HA GLY 8 9.518 4.608 -12.451 212 HA3 GLY 8 2HA GLY 8 9.784 3.610 -13.890 213 H SER 9 H SER 9 9.960 5.118 -15.460 214 HA SER 9 HA SER 9 8.464 7.519 -15.623 215 HB2 SER 9 1HB SER 9 9.236 7.515 -18.003 216 HB3 SER 9 2HB SER 9 10.538 7.203 -16.832 217 HG SER 9 HG SER 9 10.612 5.734 -18.573 218 H HIS 10 H HIS 10 7.603 4.235 -16.680 219 HA HIS 10 HA HIS 10 5.547 5.038 -18.529 220 HB2 HIS 10 1HB HIS 10 5.971 2.541 -16.870 221 HB3 HIS 10 2HB HIS 10 4.526 2.783 -17.842 222 HD1 HIS 10 HD1 HIS 10 4.621 1.697 -20.060 223 HD2 HIS 10 HD2 HIS 10 8.401 2.989 -18.776 224 HE1 HIS 10 HE1 HIS 10 6.281 1.036 -21.867 225 HE2 HIS 10 HE2 HIS 10 8.558 1.820 -21.078 226 H LEU 11 H LEU 11 5.605 4.650 -14.997 227 HA LEU 11 HA LEU 11 2.756 4.823 -14.648 228 HB2 LEU 11 1HB LEU 11 4.392 3.955 -12.969 229 HB3 LEU 11 2HB LEU 11 5.017 5.582 -12.766 230 HG LEU 11 HG LEU 11 2.873 6.314 -11.810 231 HD11 LEU 11 1HD1 LEU 11 1.341 4.769 -12.929 232 HD12 LEU 11 2HD1 LEU 11 1.182 4.636 -11.171 233 HD13 LEU 11 3HD1 LEU 11 2.076 3.391 -12.076 234 HD21 LEU 11 3HD2 LEU 11 4.704 5.425 -10.399 235 HD22 LEU 11 1HD2 LEU 11 3.999 3.794 -10.522 236 HD23 LEU 11 2HD2 LEU 11 3.105 5.094 -9.699 237 H VAL 12 H VAL 12 5.407 7.198 -14.674 238 HA VAL 12 HA VAL 12 3.814 9.473 -14.020 239 HB VAL 12 HB VAL 12 6.395 9.291 -15.654 240 HG11 VAL 12 1HG1 VAL 12 5.290 11.462 -15.969 241 HG12 VAL 12 2HG1 VAL 12 5.150 11.661 -14.208 242 HG13 VAL 12 3HG1 VAL 12 6.750 11.642 -14.981 243 HG21 VAL 12 3HG2 VAL 12 5.924 9.701 -12.666 244 HG22 VAL 12 1HG2 VAL 12 6.691 8.293 -13.436 245 HG23 VAL 12 2HG2 VAL 12 7.497 9.871 -13.478 246 H GLU 13 H GLU 13 4.759 8.058 -17.201 247 HA GLU 13 HA GLU 13 3.503 10.128 -18.718 248 HB2 GLU 13 1HB GLU 13 4.158 7.264 -19.452 249 HB3 GLU 13 2HB GLU 13 3.545 8.471 -20.591 250 HG2 GLU 13 1HG GLU 13 6.172 8.564 -19.083 251 HG3 GLU 13 2HG GLU 13 5.946 8.353 -20.822 252 HE2 GLU 13 HE2 GLU 13 4.482 10.076 -21.588 253 H ALA 14 H ALA 14 2.216 7.197 -17.242 254 HA ALA 14 HA ALA 14 -0.259 7.205 -18.729 255 HB1 ALA 14 3HB ALA 14 0.395 6.065 -15.989 256 HB2 ALA 14 1HB ALA 14 -1.002 5.640 -17.006 257 HB3 ALA 14 2HB ALA 14 0.644 5.230 -17.540 258 H LEU 15 H LEU 15 0.882 8.755 -15.744 259 HA LEU 15 HA LEU 15 -1.705 9.510 -14.808 260 HB2 LEU 15 1HB LEU 15 1.081 10.537 -14.277 261 HB3 LEU 15 2HB LEU 15 -0.337 11.246 -13.505 262 HG LEU 15 HG LEU 15 0.320 8.297 -13.314 263 HD11 LEU 15 1HD1 LEU 15 2.164 9.622 -12.329 264 HD12 LEU 15 2HD1 LEU 15 1.242 8.730 -11.103 265 HD13 LEU 15 3HD1 LEU 15 0.986 10.478 -11.305 266 HD21 LEU 15 3HD2 LEU 15 -1.422 10.087 -11.596 267 HD22 LEU 15 1HD2 LEU 15 -1.231 8.319 -11.482 268 HD23 LEU 15 2HD2 LEU 15 -2.031 9.026 -12.883 269 H TYR 16 H TYR 16 0.435 11.044 -17.171 270 HA TYR 16 HA TYR 16 -0.812 13.620 -17.177 271 HB2 TYR 16 1HB TYR 16 0.474 11.973 -19.383 272 HB3 TYR 16 2HB TYR 16 -0.220 13.567 -19.679 273 HD1 TYR 16 HD2 TYR 16 0.763 15.610 -18.595 274 HD2 TYR 16 HD1 TYR 16 2.627 11.759 -18.315 275 HE1 TYR 16 HE2 TYR 16 2.912 16.692 -17.913 276 HE2 TYR 16 HE1 TYR 16 4.778 12.836 -17.664 277 HH TYR 16 HH TYR 16 5.869 14.796 -17.267 278 H LEU 17 H LEU 17 -1.695 10.536 -18.731 279 HA LEU 17 HA LEU 17 -3.824 11.679 -20.298 280 HB2 LEU 17 1HB LEU 17 -3.480 8.834 -19.313 281 HB3 LEU 17 2HB LEU 17 -4.529 9.380 -20.609 282 HG LEU 17 HG LEU 17 -1.495 9.524 -20.681 283 HD11 LEU 17 1HD1 LEU 17 -2.302 7.196 -20.523 284 HD12 LEU 17 2HD1 LEU 17 -1.620 7.539 -22.128 285 HD13 LEU 17 3HD1 LEU 17 -3.384 7.474 -21.909 286 HD21 LEU 17 3HD2 LEU 17 -2.556 11.132 -22.199 287 HD22 LEU 17 1HD2 LEU 17 -3.591 9.850 -22.870 288 HD23 LEU 17 2HD2 LEU 17 -1.831 9.804 -23.124 289 H VAL 18 H VAL 18 -3.688 10.050 -17.138 290 HA VAL 18 HA VAL 18 -6.571 9.862 -16.921 291 HB VAL 18 HB VAL 18 -4.380 9.543 -14.815 292 HG11 VAL 18 1HG1 VAL 18 -6.544 9.936 -13.716 293 HG12 VAL 18 2HG1 VAL 18 -7.323 8.717 -14.753 294 HG13 VAL 18 3HG1 VAL 18 -6.096 8.227 -13.557 295 HG21 VAL 18 3HG2 VAL 18 -4.043 7.928 -16.548 296 HG22 VAL 18 1HG2 VAL 18 -4.899 7.080 -15.254 297 HG23 VAL 18 2HG2 VAL 18 -5.789 7.606 -16.691 298 H CYS 19 H CYS 19 -4.085 12.127 -15.744 299 HA CYS 19 HA CYS 19 -6.112 13.606 -14.251 300 HB2 CYS 19 1HB CYS 19 -3.201 13.687 -14.531 301 HB3 CYS 19 2HB CYS 19 -3.965 15.280 -14.415 302 H GLY 20 H GLY 20 -4.705 13.755 -17.495 303 HA2 GLY 20 1HA GLY 20 -5.144 15.247 -19.202 304 HA3 GLY 20 2HA GLY 20 -6.670 15.627 -18.372 305 H GLU 21 H GLU 21 -6.762 17.784 -18.403 306 HA GLU 21 HA GLU 21 -4.494 19.509 -18.148 307 HB2 GLU 21 1HB GLU 21 -7.454 20.081 -17.737 308 HB3 GLU 21 2HB GLU 21 -6.187 21.293 -17.932 309 HG2 GLU 21 1HG GLU 21 -6.884 21.258 -20.087 310 HG3 GLU 21 2HG GLU 21 -5.747 19.909 -20.204 311 HE2 GLU 21 HE2 GLU 21 -9.156 19.202 -21.445 312 H ARG 22 H ARG 22 -6.083 17.759 -15.641 313 HA ARG 22 HA ARG 22 -6.035 19.789 -13.603 314 HB2 ARG 22 1HB ARG 22 -5.948 16.779 -13.415 315 HB3 ARG 22 2HB ARG 22 -6.101 17.859 -12.028 316 HG2 ARG 22 1HG ARG 22 -8.184 18.777 -12.938 317 HG3 ARG 22 2HG ARG 22 -8.070 17.673 -14.328 318 HD2 ARG 22 1HD ARG 22 -8.106 16.780 -11.444 319 HD3 ARG 22 2HD ARG 22 -9.555 16.891 -12.459 320 HE ARG 22 HE ARG 22 -7.892 15.371 -13.986 321 HH11 ARG 22 1HH1 ARG 22 -8.798 15.053 -10.580 322 HH12 ARG 22 2HH1 ARG 22 -8.752 13.308 -10.632 323 HH21 ARG 22 1HH2 ARG 22 -7.896 13.103 -13.963 324 HH22 ARG 22 2HH2 ARG 22 -8.238 12.243 -12.479 325 H GLY 23 H GLY 23 -3.528 17.782 -14.959 326 HA2 GLY 23 1HA GLY 23 -1.247 17.752 -14.486 327 HA3 GLY 23 2HA GLY 23 -1.501 19.025 -13.271 328 H PHE 24 H PHE 24 0.238 17.026 -12.556 329 HA PHE 24 HA PHE 24 -1.173 15.789 -10.317 330 HB2 PHE 24 1HB PHE 24 -0.582 13.502 -10.825 331 HB3 PHE 24 2HB PHE 24 -1.553 14.136 -12.150 332 HD1 PHE 24 HD1 PHE 24 -0.517 14.699 -14.327 333 HD2 PHE 24 HD2 PHE 24 1.706 12.841 -11.157 334 HE1 PHE 24 HE1 PHE 24 1.262 14.077 -15.938 335 HE2 PHE 24 HE2 PHE 24 3.477 12.189 -12.766 336 HZ PHE 24 HZ PHE 24 3.261 12.815 -15.175 337 H PHE 25 H PHE 25 0.582 14.390 -9.109 338 HA PHE 25 HA PHE 25 3.281 15.588 -9.485 339 HB2 PHE 25 1HB PHE 25 3.489 15.919 -7.082 340 HB3 PHE 25 2HB PHE 25 2.084 16.823 -7.663 341 HD1 PHE 25 HD2 PHE 25 -0.245 15.890 -7.257 342 HD2 PHE 25 HD1 PHE 25 3.272 14.189 -5.447 343 HE1 PHE 25 HE2 PHE 25 -1.680 14.688 -5.621 344 HE2 PHE 25 HE1 PHE 25 1.847 13.005 -3.783 345 HZ PHE 25 HZ PHE 25 -0.637 13.240 -3.877 346 H TYR 26 H TYR 26 4.909 14.205 -8.283 347 HA TYR 26 HA TYR 26 3.995 11.511 -7.554 348 HB2 TYR 26 1HB TYR 26 4.368 11.425 -10.050 349 HB3 TYR 26 2HB TYR 26 6.044 11.929 -9.774 350 HD1 TYR 26 HD2 TYR 26 3.562 9.283 -8.752 351 HD2 TYR 26 HD1 TYR 26 7.699 10.262 -9.428 352 HE1 TYR 26 HE2 TYR 26 4.196 6.912 -8.331 353 HE2 TYR 26 HE1 TYR 26 8.323 7.876 -9.028 354 HH TYR 26 HH TYR 26 5.882 5.385 -8.252 355 H THR 27 H THR 27 5.637 10.487 -6.242 356 HA THR 27 HA THR 27 7.810 12.382 -5.425 357 HB THR 27 HB THR 27 7.670 11.316 -3.187 358 HG1 THR 27 HG1 THR 27 6.620 9.373 -4.073 359 HG21 THR 27 1HG2 THR 27 4.976 12.396 -4.116 360 HG22 THR 27 2HG2 THR 27 6.383 13.410 -3.718 361 HG23 THR 27 3HG2 THR 27 5.622 12.410 -2.462 362 HA PRO 28 HA PRO 28 9.921 8.563 -6.839 363 HB2 PRO 28 1HB PRO 28 11.983 9.718 -8.173 364 HB3 PRO 28 2HB PRO 28 10.350 9.601 -8.908 365 HG2 PRO 28 1HG PRO 28 11.623 11.915 -7.471 366 HG3 PRO 28 2HG PRO 28 10.798 11.892 -9.062 367 HD2 PRO 28 1HD PRO 28 9.549 12.655 -6.760 368 HD3 PRO 28 2HD PRO 28 8.679 11.810 -8.084 369 H LYS 29 H LYS 29 12.157 7.803 -6.272 370 HA LYS 29 HA LYS 29 13.585 9.445 -4.259 371 HB2 LYS 29 1HB LYS 29 12.492 6.639 -3.762 372 HB3 LYS 29 2HB LYS 29 13.712 7.426 -2.746 373 HG2 LYS 29 1HG LYS 29 12.139 9.206 -2.177 374 HG3 LYS 29 2HG LYS 29 10.927 8.502 -3.256 375 HD2 LYS 29 1HD LYS 29 10.811 6.494 -1.868 376 HD3 LYS 29 2HD LYS 29 12.050 7.164 -0.781 377 HE2 LYS 29 1HE LYS 29 9.776 7.542 0.126 378 HE3 LYS 29 2HE LYS 29 10.586 9.074 -0.256 379 HZ1 LYS 29 3HZ LYS 29 8.314 9.103 -1.051 380 HZ2 LYS 29 1HZ LYS 29 8.547 7.743 -1.955 381 HZ3 LYS 29 2HZ LYS 29 9.333 9.135 -2.350 382 H THR 30 H THR 30 15.773 8.857 -4.154 383 HA THR 30 HA THR 30 16.710 7.239 -6.469 384 HB THR 30 HB THR 30 18.883 8.556 -5.899 385 HG1 THR 30 HG1 THR 30 18.433 10.456 -4.662 386 HG21 THR 30 1HG2 THR 30 17.351 9.180 -7.825 387 HG22 THR 30 2HG2 THR 30 18.062 10.607 -7.061 388 HG23 THR 30 3HG2 THR 30 16.381 10.170 -6.717 389 HXT THR 30 H02 THR 30 18.788 5.301 -4.637 Start of MODEL 32 1 H1 GLY 1 3H0 GLY 1 3.520 -1.318 -2.234 2 H2 GLY 1 2H0 GLY 1 3.319 -1.115 -0.610 3 H3 GLY 1 1H0 GLY 1 2.008 -1.378 -1.579 4 HA2 GLY 1 1HA GLY 1 2.156 0.958 -0.920 5 HA3 GLY 1 2HA GLY 1 3.753 1.015 -1.692 6 H ILE 2 H ILE 2 1.605 2.778 -2.552 7 HA ILE 2 HA ILE 2 -0.021 1.555 -4.506 8 HB ILE 2 HB ILE 2 -0.427 3.780 -3.425 9 HG12 ILE 2 1HG1 ILE 2 -0.563 3.765 -6.457 10 HG13 ILE 2 2HG1 ILE 2 -1.673 2.913 -5.388 11 HG21 ILE 2 1HG2 ILE 2 0.579 5.825 -4.298 12 HG22 ILE 2 2HG2 ILE 2 1.874 4.750 -3.749 13 HG23 ILE 2 3HG2 ILE 2 1.525 4.912 -5.488 14 HD11 ILE 2 3HD1 ILE 2 -2.736 4.960 -6.122 15 HD12 ILE 2 1HD1 ILE 2 -2.347 5.139 -4.396 16 HD13 ILE 2 2HD1 ILE 2 -1.338 5.938 -5.631 17 H VAL 3 H VAL 3 3.225 2.971 -4.917 18 HA VAL 3 HA VAL 3 3.252 2.793 -7.770 19 HB VAL 3 HB VAL 3 5.609 2.561 -5.842 20 HG11 VAL 3 1HG1 VAL 3 5.502 3.494 -8.749 21 HG12 VAL 3 2HG1 VAL 3 6.953 3.427 -7.716 22 HG13 VAL 3 3HG1 VAL 3 6.134 1.928 -8.202 23 HG21 VAL 3 3HG2 VAL 3 4.238 5.021 -7.009 24 HG22 VAL 3 1HG2 VAL 3 4.373 4.579 -5.290 25 HG23 VAL 3 2HG2 VAL 3 5.823 5.049 -6.199 26 H GLU 4 H GLU 4 4.149 0.557 -5.176 27 HA GLU 4 HA GLU 4 5.295 -1.478 -6.787 28 HB2 GLU 4 1HB GLU 4 5.442 -1.227 -4.291 29 HB3 GLU 4 2HB GLU 4 3.760 -1.735 -4.185 30 HG2 GLU 4 1HG GLU 4 4.367 -3.917 -5.170 31 HG3 GLU 4 2HG GLU 4 6.065 -3.409 -5.176 32 HE2 GLU 4 HE2 GLU 4 5.772 -5.210 -2.216 33 H GLN 5 H GLN 5 1.904 -0.873 -5.736 34 HA GLN 5 HA GLN 5 0.893 -3.319 -6.802 35 HB2 GLN 5 1HB GLN 5 -0.621 -0.691 -6.610 36 HB3 GLN 5 2HB GLN 5 -1.303 -2.310 -6.710 37 HG2 GLN 5 1HG GLN 5 -0.095 -0.885 -4.374 38 HG3 GLN 5 2HG GLN 5 -1.566 -1.843 -4.462 39 HE21 GLN 5 2HE2 GLN 5 -1.120 -4.275 -4.931 40 HE22 GLN 5 1HE2 GLN 5 0.175 -4.977 -3.992 41 H CYS 6 H CYS 6 1.303 -0.065 -8.261 42 HA CYS 6 HA CYS 6 0.059 -0.876 -10.754 43 HB2 CYS 6 1HB CYS 6 1.878 1.485 -10.171 44 HB3 CYS 6 2HB CYS 6 0.853 1.279 -11.596 45 H CYS 7 H CYS 7 3.199 -1.299 -9.418 46 HA CYS 7 HA CYS 7 4.516 -1.593 -12.005 47 HB2 CYS 7 1HB CYS 7 5.275 -1.785 -9.138 48 HB3 CYS 7 2HB CYS 7 6.164 -2.838 -10.243 49 H THR 8 H THR 8 3.275 -3.752 -9.394 50 HA THR 8 HA THR 8 4.089 -6.114 -10.918 51 HB THR 8 HB THR 8 4.199 -5.993 -8.398 52 HG1 THR 8 HG1 THR 8 4.124 -7.991 -9.602 53 HG21 THR 8 1HG2 THR 8 2.235 -6.345 -7.075 54 HG22 THR 8 2HG2 THR 8 1.209 -6.504 -8.514 55 HG23 THR 8 3HG2 THR 8 1.921 -4.929 -8.094 56 H SER 9 H SER 9 1.125 -4.255 -10.538 57 HA SER 9 HA SER 9 -0.154 -6.194 -12.404 58 HB2 SER 9 1HB SER 9 -2.270 -6.025 -11.184 59 HB3 SER 9 2HB SER 9 -1.013 -6.554 -10.047 60 HG SER 9 HG SER 9 -0.828 -4.172 -9.589 61 H ILE 10 H ILE 10 -2.445 -4.879 -13.072 62 HA ILE 10 HA ILE 10 -1.288 -2.342 -14.141 63 HB ILE 10 HB ILE 10 -3.680 -3.989 -15.128 64 HG12 ILE 10 1HG1 ILE 10 -1.826 -3.603 -17.188 65 HG13 ILE 10 2HG1 ILE 10 -0.807 -3.897 -15.792 66 HG21 ILE 10 1HG2 ILE 10 -4.033 -1.550 -15.473 67 HG22 ILE 10 2HG2 ILE 10 -2.436 -1.429 -16.253 68 HG23 ILE 10 3HG2 ILE 10 -3.743 -2.380 -17.004 69 HD11 ILE 10 3HD1 ILE 10 -2.082 -6.036 -15.391 70 HD12 ILE 10 1HD1 ILE 10 -2.959 -5.728 -16.909 71 HD13 ILE 10 2HD1 ILE 10 -1.195 -5.986 -16.936 72 H CYS 11 H CYS 11 -1.790 -0.595 -13.040 73 HA CYS 11 HA CYS 11 -4.205 -0.468 -11.385 74 HB2 CYS 11 1HB CYS 11 -2.026 1.511 -12.132 75 HB3 CYS 11 2HB CYS 11 -3.468 1.995 -11.233 76 H SER 12 H SER 12 -6.126 -0.182 -12.303 77 HA SER 12 HA SER 12 -6.528 0.811 -14.971 78 HB2 SER 12 1HB SER 12 -8.474 0.727 -12.625 79 HB3 SER 12 2HB SER 12 -8.896 0.831 -14.350 80 HG SER 12 HG SER 12 -9.032 -1.319 -13.598 81 H LEU 13 H LEU 13 -7.751 2.873 -15.428 82 HA LEU 13 HA LEU 13 -6.343 5.097 -14.522 83 HB2 LEU 13 1HB LEU 13 -7.969 6.447 -15.626 84 HB3 LEU 13 2HB LEU 13 -7.675 5.000 -16.572 85 HG LEU 13 HG LEU 13 -9.904 4.256 -15.141 86 HD11 LEU 13 1HD1 LEU 13 -10.177 6.505 -14.172 87 HD12 LEU 13 2HD1 LEU 13 -11.490 6.148 -15.307 88 HD13 LEU 13 3HD1 LEU 13 -10.164 7.223 -15.801 89 HD21 LEU 13 3HD2 LEU 13 -11.121 4.654 -17.238 90 HD22 LEU 13 1HD2 LEU 13 -9.518 3.961 -17.550 91 HD23 LEU 13 2HD2 LEU 13 -9.801 5.700 -17.817 92 H TYR 14 H TYR 14 -9.261 3.690 -13.084 93 HA TYR 14 HA TYR 14 -9.932 5.856 -11.393 94 HB2 TYR 14 1HB TYR 14 -10.255 2.920 -10.740 95 HB3 TYR 14 2HB TYR 14 -11.283 4.264 -10.232 96 HD1 TYR 14 HD1 TYR 14 -12.536 5.562 -12.156 97 HD2 TYR 14 HD2 TYR 14 -10.764 1.670 -12.676 98 HE1 TYR 14 HE1 TYR 14 -13.943 5.181 -14.184 99 HE2 TYR 14 HE2 TYR 14 -12.159 1.313 -14.717 100 HH TYR 14 HH TYR 14 -14.504 3.733 -15.872 101 H GLN 15 H GLN 15 -7.648 3.173 -10.965 102 HA GLN 15 HA GLN 15 -7.038 3.801 -8.185 103 HB2 GLN 15 1HB GLN 15 -5.573 2.175 -10.298 104 HB3 GLN 15 2HB GLN 15 -5.094 2.270 -8.604 105 HG2 GLN 15 1HG GLN 15 -7.761 1.206 -9.593 106 HG3 GLN 15 2HG GLN 15 -6.359 0.216 -9.163 107 HE21 GLN 15 2HE2 GLN 15 -9.245 1.012 -8.023 108 HE22 GLN 15 1HE2 GLN 15 -8.912 1.088 -6.311 109 H LEU 16 H LEU 16 -5.721 4.529 -11.388 110 HA LEU 16 HA LEU 16 -3.342 5.824 -10.499 111 HB2 LEU 16 1HB LEU 16 -4.953 6.048 -13.041 112 HB3 LEU 16 2HB LEU 16 -3.435 6.896 -12.796 113 HG LEU 16 HG LEU 16 -3.740 3.878 -12.643 114 HD11 LEU 16 1HD1 LEU 16 -4.179 4.653 -14.911 115 HD12 LEU 16 2HD1 LEU 16 -2.612 3.836 -14.826 116 HD13 LEU 16 3HD1 LEU 16 -2.680 5.614 -14.897 117 HD21 LEU 16 3HD2 LEU 16 -1.275 5.669 -12.721 118 HD22 LEU 16 1HD2 LEU 16 -1.254 3.896 -12.861 119 HD23 LEU 16 2HD2 LEU 16 -1.811 4.656 -11.362 120 H GLU 17 H GLU 17 -6.655 7.072 -10.877 121 HA GLU 17 HA GLU 17 -6.082 9.841 -10.765 122 HB2 GLU 17 1HB GLU 17 -8.399 8.199 -9.711 123 HB3 GLU 17 2HB GLU 17 -8.354 9.957 -9.567 124 HG2 GLU 17 1HG GLU 17 -8.258 10.210 -11.977 125 HG3 GLU 17 2HG GLU 17 -8.172 8.462 -12.187 126 HE2 GLU 17 HE2 GLU 17 -11.603 10.182 -11.323 127 H ASN 18 H ASN 18 -5.764 7.473 -8.193 128 HA ASN 18 HA ASN 18 -5.981 9.271 -5.969 129 HB2 ASN 18 1HB ASN 18 -4.501 6.646 -6.306 130 HB3 ASN 18 2HB ASN 18 -4.562 7.539 -4.782 131 HD21 ASN 18 2HD2 ASN 18 -6.158 5.339 -6.813 132 HD22 ASN 18 1HD2 ASN 18 -7.651 5.238 -5.898 133 H TYR 19 H TYR 19 -3.382 8.759 -8.273 134 HA TYR 19 HA TYR 19 -1.250 9.882 -6.617 135 HB2 TYR 19 1HB TYR 19 -1.632 9.422 -9.570 136 HB3 TYR 19 2HB TYR 19 -0.177 10.153 -8.930 137 HD1 TYR 19 HD1 TYR 19 -2.130 6.992 -9.082 138 HD2 TYR 19 HD2 TYR 19 1.533 8.869 -7.849 139 HE1 TYR 19 HE1 TYR 19 -1.082 4.760 -8.813 140 HE2 TYR 19 HE2 TYR 19 2.574 6.628 -7.572 141 HH TYR 19 HH TYR 19 0.789 3.603 -8.250 142 H CYS 20 H CYS 20 -3.991 11.228 -8.159 143 HA CYS 20 HA CYS 20 -2.597 13.744 -8.855 144 HB2 CYS 20 1HB CYS 20 -5.471 12.924 -9.354 145 HB3 CYS 20 2HB CYS 20 -4.611 14.301 -10.071 146 H ASN 21 H ASN 21 -2.803 15.567 -7.735 147 HA ASN 21 HA ASN 21 -4.004 15.535 -5.117 148 HB2 ASN 21 1HB ASN 21 -3.305 18.032 -5.235 149 HB3 ASN 21 2HB ASN 21 -2.020 16.835 -5.331 150 HD21 ASN 21 2HD2 ASN 21 -3.637 19.424 -6.939 151 HD22 ASN 21 1HD2 ASN 21 -2.700 19.369 -8.413 152 HXT ASN 21 H02 ASN 21 -5.873 14.906 -6.068 153 H1 PHE 1 3H0 PHE 1 -8.844 3.110 -22.013 154 H2 PHE 1 2H0 PHE 1 -8.102 2.462 -23.336 155 H3 PHE 1 1H0 PHE 1 -8.803 1.473 -22.221 156 HA PHE 1 HA PHE 1 -6.447 3.184 -21.771 157 HB2 PHE 1 1HB PHE 1 -8.063 2.860 -19.828 158 HB3 PHE 1 2HB PHE 1 -7.704 1.131 -19.911 159 HD1 PHE 1 HD1 PHE 1 -6.233 4.501 -19.261 160 HD2 PHE 1 HD2 PHE 1 -5.687 0.234 -18.949 161 HE1 PHE 1 HE1 PHE 1 -4.244 4.864 -17.810 162 HE2 PHE 1 HE2 PHE 1 -3.698 0.597 -17.497 163 HZ PHE 1 HZ PHE 1 -2.963 2.911 -16.941 164 H VAL 2 H VAL 2 -4.418 2.041 -21.774 165 HA VAL 2 HA VAL 2 -4.608 -0.621 -23.120 166 HB VAL 2 HB VAL 2 -2.234 1.306 -22.889 167 HG11 VAL 2 1HG1 VAL 2 -2.566 -1.286 -24.481 168 HG12 VAL 2 2HG1 VAL 2 -1.173 -0.185 -24.585 169 HG13 VAL 2 3HG1 VAL 2 -1.507 -1.051 -23.070 170 HG21 VAL 2 3HG2 VAL 2 -4.085 0.705 -25.243 171 HG22 VAL 2 1HG2 VAL 2 -3.941 2.250 -24.371 172 HG23 VAL 2 2HG2 VAL 2 -2.585 1.655 -25.344 173 H ASN 3 H ASN 3 -4.195 -2.371 -21.860 174 HA ASN 3 HA ASN 3 -3.318 -1.897 -19.114 175 HB2 ASN 3 1HB ASN 3 -3.954 -4.452 -20.621 176 HB3 ASN 3 2HB ASN 3 -3.428 -4.389 -18.931 177 HD21 ASN 3 2HD2 ASN 3 -5.916 -5.450 -19.862 178 HD22 ASN 3 1HD2 ASN 3 -7.186 -4.461 -19.184 179 H GLN 4 H GLN 4 -1.283 -1.440 -18.785 180 HA GLN 4 HA GLN 4 0.660 -3.539 -19.434 181 HB2 GLN 4 1HB GLN 4 2.341 -1.805 -20.135 182 HB3 GLN 4 2HB GLN 4 1.034 -2.023 -21.305 183 HG2 GLN 4 1HG GLN 4 -0.086 0.000 -20.430 184 HG3 GLN 4 2HG GLN 4 1.243 0.235 -19.295 185 HE21 GLN 4 2HE2 GLN 4 0.168 0.542 -22.567 186 HE22 GLN 4 1HE2 GLN 4 1.579 1.388 -23.157 187 H HIS 5 H HIS 5 2.107 -3.658 -17.771 188 HA HIS 5 HA HIS 5 1.433 -2.398 -15.265 189 HB2 HIS 5 1HB HIS 5 3.966 -3.841 -16.133 190 HB3 HIS 5 2HB HIS 5 3.562 -3.388 -14.476 191 HD1 HIS 5 HD1 HIS 5 0.726 -4.252 -14.125 192 HD2 HIS 5 HD2 HIS 5 3.454 -6.539 -16.242 193 HE1 HIS 5 HE1 HIS 5 -0.202 -6.628 -14.236 194 HE2 HIS 5 HE2 HIS 5 1.508 -8.008 -15.473 195 H LEU 6 H LEU 6 2.483 -0.746 -14.119 196 HA LEU 6 HA LEU 6 3.995 1.126 -15.910 197 HB2 LEU 6 1HB LEU 6 1.878 1.600 -13.805 198 HB3 LEU 6 2HB LEU 6 2.915 2.849 -14.406 199 HG LEU 6 HG LEU 6 1.183 3.394 -15.629 200 HD11 LEU 6 1HD1 LEU 6 2.725 2.670 -17.387 201 HD12 LEU 6 2HD1 LEU 6 1.039 2.440 -17.872 202 HD13 LEU 6 3HD1 LEU 6 2.008 1.044 -17.362 203 HD21 LEU 6 3HD2 LEU 6 -0.335 1.912 -14.504 204 HD22 LEU 6 1HD2 LEU 6 0.216 0.532 -15.480 205 HD23 LEU 6 2HD2 LEU 6 -0.671 1.867 -16.246 206 H CYS 7 H CYS 7 6.043 1.255 -15.266 207 HA CYS 7 HA CYS 7 6.526 1.903 -12.388 208 HB2 CYS 7 1HB CYS 7 8.314 0.272 -14.236 209 HB3 CYS 7 2HB CYS 7 8.740 0.805 -12.607 210 H GLY 8 H GLY 8 8.236 3.457 -12.060 211 HA2 GLY 8 1HA GLY 8 9.508 5.299 -12.622 212 HA3 GLY 8 2HA GLY 8 9.970 4.372 -14.055 213 H SER 9 H SER 9 9.980 5.876 -15.625 214 HA SER 9 HA SER 9 8.217 8.049 -15.871 215 HB2 SER 9 1HB SER 9 9.189 6.915 -18.402 216 HB3 SER 9 2HB SER 9 9.522 8.495 -17.652 217 HG SER 9 HG SER 9 11.425 7.355 -17.606 218 H HIS 10 H HIS 10 7.697 4.669 -16.830 219 HA HIS 10 HA HIS 10 5.572 5.214 -18.712 220 HB2 HIS 10 1HB HIS 10 6.606 2.848 -17.246 221 HB3 HIS 10 2HB HIS 10 4.895 2.789 -17.649 222 HD1 HIS 10 HD1 HIS 10 4.303 1.975 -19.965 223 HD2 HIS 10 HD2 HIS 10 8.280 3.306 -19.678 224 HE1 HIS 10 HE1 HIS 10 5.411 1.465 -22.175 225 HE2 HIS 10 HE2 HIS 10 7.811 2.270 -22.004 226 H LEU 11 H LEU 11 5.705 4.887 -15.171 227 HA LEU 11 HA LEU 11 2.834 4.869 -14.825 228 HB2 LEU 11 1HB LEU 11 4.466 4.041 -13.143 229 HB3 LEU 11 2HB LEU 11 5.068 5.675 -12.932 230 HG LEU 11 HG LEU 11 2.992 6.381 -11.900 231 HD11 LEU 11 1HD1 LEU 11 1.220 4.782 -11.320 232 HD12 LEU 11 2HD1 LEU 11 2.036 3.514 -12.266 233 HD13 LEU 11 3HD1 LEU 11 1.363 4.952 -13.079 234 HD21 LEU 11 3HD2 LEU 11 3.210 5.046 -9.866 235 HD22 LEU 11 1HD2 LEU 11 4.810 5.316 -10.586 236 HD23 LEU 11 2HD2 LEU 11 4.005 3.735 -10.777 237 H VAL 12 H VAL 12 5.362 7.376 -14.780 238 HA VAL 12 HA VAL 12 3.661 9.544 -14.082 239 HB VAL 12 HB VAL 12 6.195 9.535 -15.787 240 HG11 VAL 12 1HG1 VAL 12 4.918 11.631 -15.991 241 HG12 VAL 12 2HG1 VAL 12 4.916 11.796 -14.223 242 HG13 VAL 12 3HG1 VAL 12 6.447 11.871 -15.123 243 HG21 VAL 12 3HG2 VAL 12 5.790 9.866 -12.781 244 HG22 VAL 12 1HG2 VAL 12 6.599 8.510 -13.597 245 HG23 VAL 12 2HG2 VAL 12 7.329 10.124 -13.633 246 H GLU 13 H GLU 13 4.550 8.187 -17.289 247 HA GLU 13 HA GLU 13 3.108 10.139 -18.822 248 HB2 GLU 13 1HB GLU 13 4.008 7.300 -19.354 249 HB3 GLU 13 2HB GLU 13 3.093 8.225 -20.550 250 HG2 GLU 13 1HG GLU 13 5.741 9.111 -19.356 251 HG3 GLU 13 2HG GLU 13 5.553 8.301 -20.917 252 HE2 GLU 13 HE2 GLU 13 6.410 10.852 -20.025 253 H ALA 14 H ALA 14 2.117 7.125 -17.228 254 HA ALA 14 HA ALA 14 -0.443 6.982 -18.541 255 HB1 ALA 14 3HB ALA 14 -1.013 5.409 -16.767 256 HB2 ALA 14 1HB ALA 14 0.640 5.088 -17.341 257 HB3 ALA 14 2HB ALA 14 0.383 5.943 -15.803 258 H LEU 15 H LEU 15 0.758 8.524 -15.556 259 HA LEU 15 HA LEU 15 -1.809 9.373 -14.616 260 HB2 LEU 15 1HB LEU 15 0.985 10.446 -14.136 261 HB3 LEU 15 2HB LEU 15 -0.446 11.001 -13.270 262 HG LEU 15 HG LEU 15 0.543 8.137 -13.235 263 HD11 LEU 15 1HD1 LEU 15 1.347 8.570 -10.994 264 HD12 LEU 15 2HD1 LEU 15 0.841 10.270 -11.114 265 HD13 LEU 15 3HD1 LEU 15 2.151 9.653 -12.148 266 HD21 LEU 15 3HD2 LEU 15 -1.587 9.613 -11.717 267 HD22 LEU 15 1HD2 LEU 15 -1.002 7.979 -11.320 268 HD23 LEU 15 2HD2 LEU 15 -1.803 8.276 -12.863 269 H TYR 16 H TYR 16 0.521 10.868 -16.846 270 HA TYR 16 HA TYR 16 -0.744 13.424 -17.009 271 HB2 TYR 16 1HB TYR 16 0.953 11.788 -18.897 272 HB3 TYR 16 2HB TYR 16 0.140 13.240 -19.480 273 HD1 TYR 16 HD1 TYR 16 0.468 15.423 -18.001 274 HD2 TYR 16 HD2 TYR 16 3.123 12.038 -17.990 275 HE1 TYR 16 HE1 TYR 16 2.304 16.862 -17.119 276 HE2 TYR 16 HE2 TYR 16 4.965 13.501 -17.138 277 HH TYR 16 HH TYR 16 4.491 16.958 -16.447 278 H LEU 17 H LEU 17 -1.454 10.318 -18.645 279 HA LEU 17 HA LEU 17 -3.466 11.507 -20.350 280 HB2 LEU 17 1HB LEU 17 -3.101 8.649 -19.416 281 HB3 LEU 17 2HB LEU 17 -4.220 9.188 -20.655 282 HG LEU 17 HG LEU 17 -1.203 9.459 -20.860 283 HD11 LEU 17 1HD1 LEU 17 -1.306 7.510 -22.352 284 HD12 LEU 17 2HD1 LEU 17 -3.053 7.354 -22.047 285 HD13 LEU 17 3HD1 LEU 17 -1.885 7.095 -20.725 286 HD21 LEU 17 3HD2 LEU 17 -3.415 9.743 -22.937 287 HD22 LEU 17 1HD2 LEU 17 -1.667 9.770 -23.279 288 HD23 LEU 17 2HD2 LEU 17 -2.392 11.050 -22.290 289 H VAL 18 H VAL 18 -3.590 9.773 -17.231 290 HA VAL 18 HA VAL 18 -6.451 9.541 -17.215 291 HB VAL 18 HB VAL 18 -4.375 9.374 -14.979 292 HG11 VAL 18 1HG1 VAL 18 -6.515 9.892 -13.932 293 HG12 VAL 18 2HG1 VAL 18 -7.336 8.649 -14.902 294 HG13 VAL 18 3HG1 VAL 18 -6.138 8.184 -13.668 295 HG21 VAL 18 3HG2 VAL 18 -4.757 6.954 -15.221 296 HG22 VAL 18 1HG2 VAL 18 -5.897 7.260 -16.547 297 HG23 VAL 18 2HG2 VAL 18 -4.184 7.669 -16.730 298 H CYS 19 H CYS 19 -4.234 11.864 -15.645 299 HA CYS 19 HA CYS 19 -6.649 13.335 -14.716 300 HB2 CYS 19 1HB CYS 19 -3.752 13.410 -13.862 301 HB3 CYS 19 2HB CYS 19 -4.977 14.565 -13.285 302 H GLY 20 H GLY 20 -4.517 13.414 -17.357 303 HA2 GLY 20 1HA GLY 20 -4.335 15.017 -18.999 304 HA3 GLY 20 2HA GLY 20 -5.782 15.764 -18.310 305 H GLU 21 H GLU 21 -5.100 17.816 -18.704 306 HA GLU 21 HA GLU 21 -2.534 18.814 -17.936 307 HB2 GLU 21 1HB GLU 21 -5.127 20.233 -18.621 308 HB3 GLU 21 2HB GLU 21 -3.559 21.031 -18.439 309 HG2 GLU 21 1HG GLU 21 -2.648 19.645 -20.286 310 HG3 GLU 21 2HG GLU 21 -4.240 18.908 -20.505 311 HE2 GLU 21 HE2 GLU 21 -3.973 21.523 -22.862 312 H ARG 22 H ARG 22 -5.125 18.072 -15.797 313 HA ARG 22 HA ARG 22 -4.875 20.441 -14.152 314 HB2 ARG 22 1HB ARG 22 -6.452 19.519 -12.809 315 HB3 ARG 22 2HB ARG 22 -6.765 18.608 -14.287 316 HG2 ARG 22 1HG ARG 22 -5.234 16.792 -13.303 317 HG3 ARG 22 2HG ARG 22 -5.312 17.707 -11.782 318 HD2 ARG 22 1HD ARG 22 -7.007 16.114 -11.601 319 HD3 ARG 22 2HD ARG 22 -7.845 17.616 -12.062 320 HE ARG 22 HE ARG 22 -7.144 16.223 -14.421 321 HH11 ARG 22 1HH1 ARG 22 -9.359 15.784 -11.700 322 HH12 ARG 22 2HH1 ARG 22 -10.467 14.818 -12.637 323 HH21 ARG 22 1HH2 ARG 22 -8.592 14.990 -15.543 324 HH22 ARG 22 2HH2 ARG 22 -10.036 14.377 -14.785 325 H GLY 23 H GLY 23 -2.890 17.710 -14.647 326 HA2 GLY 23 1HA GLY 23 -0.754 17.426 -13.764 327 HA3 GLY 23 2HA GLY 23 -1.101 18.634 -12.520 328 H PHE 24 H PHE 24 0.249 16.664 -11.613 329 HA PHE 24 HA PHE 24 -1.429 15.280 -9.717 330 HB2 PHE 24 1HB PHE 24 -0.740 13.001 -10.372 331 HB3 PHE 24 2HB PHE 24 -1.739 13.747 -11.620 332 HD1 PHE 24 HD2 PHE 24 1.644 12.596 -10.757 333 HD2 PHE 24 HD1 PHE 24 -0.849 14.363 -13.773 334 HE1 PHE 24 HE2 PHE 24 3.382 12.122 -12.459 335 HE2 PHE 24 HE1 PHE 24 0.888 13.919 -15.477 336 HZ PHE 24 HZ PHE 24 3.011 12.804 -14.840 337 H PHE 25 H PHE 25 0.369 13.682 -8.549 338 HA PHE 25 HA PHE 25 3.020 15.019 -8.767 339 HB2 PHE 25 1HB PHE 25 3.223 15.178 -6.356 340 HB3 PHE 25 2HB PHE 25 1.803 16.083 -6.889 341 HD1 PHE 25 HD1 PHE 25 -0.484 15.233 -6.416 342 HD2 PHE 25 HD2 PHE 25 3.020 13.204 -4.958 343 HE1 PHE 25 HE1 PHE 25 -1.900 13.937 -4.827 344 HE2 PHE 25 HE2 PHE 25 1.613 11.905 -3.368 345 HZ PHE 25 HZ PHE 25 -0.857 12.260 -3.311 346 H TYR 26 H TYR 26 4.721 13.705 -7.647 347 HA TYR 26 HA TYR 26 4.033 10.864 -7.274 348 HB2 TYR 26 1HB TYR 26 4.515 11.065 -9.701 349 HB3 TYR 26 2HB TYR 26 6.075 11.813 -9.324 350 HD1 TYR 26 HD2 TYR 26 4.072 8.676 -8.834 351 HD2 TYR 26 HD1 TYR 26 7.994 10.453 -8.877 352 HE1 TYR 26 HE2 TYR 26 5.107 6.419 -8.631 353 HE2 TYR 26 HE1 TYR 26 9.016 8.181 -8.703 354 HH TYR 26 HH TYR 26 7.026 5.220 -8.495 355 H THR 27 H THR 27 5.470 9.875 -5.864 356 HA THR 27 HA THR 27 7.509 11.691 -4.666 357 HB THR 27 HB THR 27 7.251 10.217 -2.647 358 HG1 THR 27 HG1 THR 27 6.397 8.407 -3.802 359 HG21 THR 27 1HG2 THR 27 5.954 12.354 -2.931 360 HG22 THR 27 2HG2 THR 27 5.109 11.135 -1.952 361 HG23 THR 27 3HG2 THR 27 4.623 11.404 -3.639 362 HA PRO 28 HA PRO 28 10.010 8.364 -6.482 363 HB2 PRO 28 1HB PRO 28 12.352 9.718 -6.799 364 HB3 PRO 28 2HB PRO 28 10.974 9.935 -7.929 365 HG2 PRO 28 1HG PRO 28 11.766 11.622 -5.568 366 HG3 PRO 28 2HG PRO 28 11.403 12.134 -7.247 367 HD2 PRO 28 1HD PRO 28 9.558 12.262 -5.257 368 HD3 PRO 28 2HD PRO 28 9.100 11.864 -6.948 369 H LYS 29 H LYS 29 11.707 7.070 -5.577 370 HA LYS 29 HA LYS 29 12.059 7.486 -2.681 371 HB2 LYS 29 1HB LYS 29 13.237 5.264 -2.803 372 HB3 LYS 29 2HB LYS 29 11.536 5.242 -3.243 373 HG2 LYS 29 1HG LYS 29 11.936 4.744 -5.468 374 HG3 LYS 29 2HG LYS 29 13.525 5.508 -5.489 375 HD2 LYS 29 1HD LYS 29 12.882 2.879 -4.083 376 HD3 LYS 29 2HD LYS 29 13.616 3.016 -5.686 377 HE2 LYS 29 1HE LYS 29 14.839 3.952 -3.045 378 HE3 LYS 29 2HE LYS 29 15.345 2.558 -4.005 379 HZ1 LYS 29 3HZ LYS 29 15.974 4.140 -5.777 380 HZ2 LYS 29 1HZ LYS 29 16.820 4.392 -4.385 381 HZ3 LYS 29 2HZ LYS 29 15.587 5.412 -4.789 382 H THR 30 H THR 30 13.343 9.353 -2.693 383 HA THR 30 HA THR 30 15.838 9.453 -4.140 384 HB THR 30 HB THR 30 16.231 11.497 -2.661 385 HG1 THR 30 HG1 THR 30 14.369 12.072 -1.391 386 HG21 THR 30 1HG2 THR 30 13.453 11.318 -4.006 387 HG22 THR 30 2HG2 THR 30 14.970 11.631 -4.875 388 HG23 THR 30 3HG2 THR 30 14.369 12.800 -3.690 389 HXT THR 30 H02 THR 30 16.791 8.180 -0.601 Start of MODEL 33 1 H1 GLY 1 3H0 GLY 1 2.790 -0.224 -0.209 2 H2 GLY 1 2H0 GLY 1 1.354 -0.416 -0.998 3 H3 GLY 1 1H0 GLY 1 2.767 -0.777 -1.765 4 HA2 GLY 1 1HA GLY 1 1.889 1.913 -0.915 5 HA3 GLY 1 2HA GLY 1 3.457 1.548 -1.658 6 H ILE 2 H ILE 2 1.162 3.302 -2.672 7 HA ILE 2 HA ILE 2 -0.261 1.809 -4.618 8 HB ILE 2 HB ILE 2 -0.932 4.035 -3.686 9 HG12 ILE 2 1HG1 ILE 2 -0.845 3.896 -6.715 10 HG13 ILE 2 2HG1 ILE 2 -1.945 2.976 -5.692 11 HG21 ILE 2 1HG2 ILE 2 1.278 5.201 -3.873 12 HG22 ILE 2 2HG2 ILE 2 1.097 5.227 -5.642 13 HG23 ILE 2 3HG2 ILE 2 -0.036 6.123 -4.615 14 HD11 ILE 2 3HD1 ILE 2 -1.867 6.005 -6.023 15 HD12 ILE 2 1HD1 ILE 2 -3.129 4.886 -6.575 16 HD13 ILE 2 2HD1 ILE 2 -2.885 5.151 -4.835 17 H VAL 3 H VAL 3 2.901 3.417 -4.857 18 HA VAL 3 HA VAL 3 3.147 3.198 -7.691 19 HB VAL 3 HB VAL 3 5.342 3.130 -5.566 20 HG11 VAL 3 1HG1 VAL 3 6.198 2.366 -7.736 21 HG12 VAL 3 2HG1 VAL 3 5.444 3.751 -8.556 22 HG13 VAL 3 3HG1 VAL 3 6.788 4.012 -7.417 23 HG21 VAL 3 3HG2 VAL 3 4.091 5.468 -7.072 24 HG22 VAL 3 1HG2 VAL 3 3.956 5.139 -5.327 25 HG23 VAL 3 2HG2 VAL 3 5.529 5.576 -6.027 26 H GLU 4 H GLU 4 4.018 1.007 -5.016 27 HA GLU 4 HA GLU 4 5.210 -0.982 -6.660 28 HB2 GLU 4 1HB GLU 4 5.787 -1.082 -4.422 29 HB3 GLU 4 2HB GLU 4 4.150 -0.801 -3.857 30 HG2 GLU 4 1HG GLU 4 4.777 -3.368 -5.281 31 HG3 GLU 4 2HG GLU 4 5.299 -3.150 -3.608 32 HE2 GLU 4 HE2 GLU 4 3.376 -4.751 -4.906 33 H GLN 5 H GLN 5 1.830 -0.435 -5.594 34 HA GLN 5 HA GLN 5 0.795 -2.913 -6.565 35 HB2 GLN 5 1HB GLN 5 -0.452 -0.160 -6.270 36 HB3 GLN 5 2HB GLN 5 -1.370 -1.587 -6.752 37 HG2 GLN 5 1HG GLN 5 0.203 -1.419 -4.166 38 HG3 GLN 5 2HG GLN 5 -1.504 -0.980 -4.306 39 HE21 GLN 5 2HE2 GLN 5 0.535 -3.420 -3.433 40 HE22 GLN 5 1HE2 GLN 5 -0.546 -4.773 -3.688 41 H CYS 6 H CYS 6 1.186 0.282 -8.186 42 HA CYS 6 HA CYS 6 0.053 -0.690 -10.681 43 HB2 CYS 6 1HB CYS 6 1.739 1.733 -9.974 44 HB3 CYS 6 2HB CYS 6 1.120 1.416 -11.596 45 H CYS 7 H CYS 7 3.251 -0.719 -9.254 46 HA CYS 7 HA CYS 7 4.661 -1.123 -11.735 47 HB2 CYS 7 1HB CYS 7 5.608 -0.235 -9.559 48 HB3 CYS 7 2HB CYS 7 5.535 -1.882 -8.930 49 H THR 8 H THR 8 3.574 -3.312 -9.081 50 HA THR 8 HA THR 8 4.668 -5.612 -10.524 51 HB THR 8 HB THR 8 4.768 -5.275 -7.984 52 HG1 THR 8 HG1 THR 8 3.799 -7.661 -9.191 53 HG21 THR 8 1HG2 THR 8 2.278 -4.757 -7.747 54 HG22 THR 8 2HG2 THR 8 2.917 -5.994 -6.646 55 HG23 THR 8 3HG2 THR 8 1.979 -6.479 -8.066 56 H SER 9 H SER 9 1.548 -4.079 -10.326 57 HA SER 9 HA SER 9 0.487 -6.296 -11.979 58 HB2 SER 9 1HB SER 9 -0.890 -5.214 -9.461 59 HB3 SER 9 2HB SER 9 -1.629 -6.327 -10.635 60 HG SER 9 HG SER 9 0.725 -7.340 -9.948 61 H ILE 10 H ILE 10 -1.985 -5.434 -12.595 62 HA ILE 10 HA ILE 10 -1.337 -2.760 -13.737 63 HB ILE 10 HB ILE 10 -3.463 -4.803 -14.554 64 HG12 ILE 10 1HG1 ILE 10 -1.712 -4.078 -16.671 65 HG13 ILE 10 2HG1 ILE 10 -0.679 -4.346 -15.289 66 HG21 ILE 10 1HG2 ILE 10 -2.723 -2.105 -15.803 67 HG22 ILE 10 2HG2 ILE 10 -3.896 -3.277 -16.453 68 HG23 ILE 10 3HG2 ILE 10 -4.232 -2.457 -14.927 69 HD11 ILE 10 3HD1 ILE 10 -1.660 -6.624 -15.022 70 HD12 ILE 10 1HD1 ILE 10 -2.655 -6.329 -16.470 71 HD13 ILE 10 2HD1 ILE 10 -0.879 -6.376 -16.608 72 H CYS 11 H CYS 11 -1.941 -1.163 -12.466 73 HA CYS 11 HA CYS 11 -4.406 -1.381 -10.867 74 HB2 CYS 11 1HB CYS 11 -3.775 0.866 -10.076 75 HB3 CYS 11 2HB CYS 11 -2.447 -0.279 -9.888 76 H SER 12 H SER 12 -6.293 -0.175 -11.364 77 HA SER 12 HA SER 12 -6.648 0.254 -14.229 78 HB2 SER 12 1HB SER 12 -8.990 0.606 -13.651 79 HB3 SER 12 2HB SER 12 -8.377 -0.809 -12.771 80 HG SER 12 HG SER 12 -9.423 0.392 -11.268 81 H LEU 13 H LEU 13 -7.905 2.283 -14.940 82 HA LEU 13 HA LEU 13 -6.314 4.574 -14.448 83 HB2 LEU 13 1HB LEU 13 -7.857 5.777 -15.799 84 HB3 LEU 13 2HB LEU 13 -7.654 4.172 -16.477 85 HG LEU 13 HG LEU 13 -9.904 3.779 -14.981 86 HD11 LEU 13 1HD1 LEU 13 -10.033 6.646 -16.019 87 HD12 LEU 13 2HD1 LEU 13 -10.061 6.147 -14.312 88 HD13 LEU 13 3HD1 LEU 13 -11.402 5.707 -15.381 89 HD21 LEU 13 3HD2 LEU 13 -11.122 3.972 -17.106 90 HD22 LEU 13 1HD2 LEU 13 -9.563 3.155 -17.327 91 HD23 LEU 13 2HD2 LEU 13 -9.751 4.856 -17.820 92 H TYR 14 H TYR 14 -9.165 3.371 -12.765 93 HA TYR 14 HA TYR 14 -9.797 5.855 -11.452 94 HB2 TYR 14 1HB TYR 14 -10.343 3.042 -10.457 95 HB3 TYR 14 2HB TYR 14 -11.245 4.515 -10.076 96 HD1 TYR 14 HD1 TYR 14 -12.509 5.683 -12.025 97 HD2 TYR 14 HD2 TYR 14 -10.924 1.692 -12.318 98 HE1 TYR 14 HE1 TYR 14 -13.992 5.231 -13.982 99 HE2 TYR 14 HE2 TYR 14 -12.395 1.258 -14.293 100 HH TYR 14 HH TYR 14 -14.671 3.697 -15.541 101 H GLN 15 H GLN 15 -7.749 3.042 -10.691 102 HA GLN 15 HA GLN 15 -7.015 3.945 -8.055 103 HB2 GLN 15 1HB GLN 15 -5.540 2.135 -9.994 104 HB3 GLN 15 2HB GLN 15 -5.155 2.329 -8.284 105 HG2 GLN 15 1HG GLN 15 -7.769 1.228 -9.385 106 HG3 GLN 15 2HG GLN 15 -6.425 0.264 -8.772 107 HE21 GLN 15 2HE2 GLN 15 -6.209 -0.044 -6.583 108 HE22 GLN 15 1HE2 GLN 15 -7.326 0.615 -5.413 109 H LEU 16 H LEU 16 -5.740 4.379 -11.332 110 HA LEU 16 HA LEU 16 -3.381 5.805 -10.602 111 HB2 LEU 16 1HB LEU 16 -5.064 5.791 -13.101 112 HB3 LEU 16 2HB LEU 16 -3.632 6.795 -12.954 113 HG LEU 16 HG LEU 16 -3.636 3.781 -12.666 114 HD11 LEU 16 1HD1 LEU 16 -2.648 3.672 -14.870 115 HD12 LEU 16 2HD1 LEU 16 -2.742 5.441 -15.033 116 HD13 LEU 16 3HD1 LEU 16 -4.228 4.463 -14.958 117 HD21 LEU 16 3HD2 LEU 16 -1.178 4.023 -12.969 118 HD22 LEU 16 1HD2 LEU 16 -1.755 4.821 -11.499 119 HD23 LEU 16 2HD2 LEU 16 -1.368 5.790 -12.937 120 H GLU 17 H GLU 17 -6.763 6.981 -10.998 121 HA GLU 17 HA GLU 17 -6.005 9.744 -10.918 122 HB2 GLU 17 1HB GLU 17 -8.598 8.334 -10.269 123 HB3 GLU 17 2HB GLU 17 -8.386 10.081 -10.078 124 HG2 GLU 17 1HG GLU 17 -7.556 10.115 -12.484 125 HG3 GLU 17 2HG GLU 17 -8.177 8.465 -12.623 126 HE2 GLU 17 HE2 GLU 17 -8.969 10.290 -14.130 127 H ASN 18 H ASN 18 -5.902 7.442 -8.351 128 HA ASN 18 HA ASN 18 -6.271 9.276 -6.154 129 HB2 ASN 18 1HB ASN 18 -4.711 6.698 -6.389 130 HB3 ASN 18 2HB ASN 18 -4.787 7.638 -4.900 131 HD21 ASN 18 2HD2 ASN 18 -6.368 5.378 -6.893 132 HD22 ASN 18 1HD2 ASN 18 -7.834 5.240 -5.945 133 H TYR 19 H TYR 19 -3.650 8.769 -8.421 134 HA TYR 19 HA TYR 19 -1.554 10.010 -6.819 135 HB2 TYR 19 1HB TYR 19 -1.936 9.466 -9.753 136 HB3 TYR 19 2HB TYR 19 -0.503 10.259 -9.152 137 HD1 TYR 19 HD2 TYR 19 -2.318 7.039 -9.275 138 HD2 TYR 19 HD1 TYR 19 1.232 9.062 -7.968 139 HE1 TYR 19 HE2 TYR 19 -1.198 4.862 -8.999 140 HE2 TYR 19 HE1 TYR 19 2.355 6.866 -7.672 141 HH TYR 19 HH TYR 19 0.691 3.779 -8.425 142 H CYS 20 H CYS 20 -4.344 11.273 -8.420 143 HA CYS 20 HA CYS 20 -3.206 13.741 -9.414 144 HB2 CYS 20 1HB CYS 20 -6.031 13.016 -8.571 145 HB3 CYS 20 2HB CYS 20 -5.578 14.545 -9.326 146 H ASN 21 H ASN 21 -3.083 15.757 -8.406 147 HA ASN 21 HA ASN 21 -2.649 15.597 -5.541 148 HB2 ASN 21 1HB ASN 21 -1.397 17.154 -7.175 149 HB3 ASN 21 2HB ASN 21 -2.827 18.195 -7.112 150 HD21 ASN 21 2HD2 ASN 21 -2.671 19.778 -5.645 151 HD22 ASN 21 1HD2 ASN 21 -1.815 19.656 -4.132 152 HXT ASN 21 H02 ASN 21 -6.183 17.075 -5.914 153 H1 PHE 1 3H0 PHE 1 -9.759 0.434 -21.439 154 H2 PHE 1 2H0 PHE 1 -9.776 2.061 -21.718 155 H3 PHE 1 1H0 PHE 1 -9.187 1.030 -22.863 156 HA PHE 1 HA PHE 1 -7.367 2.126 -21.761 157 HB2 PHE 1 1HB PHE 1 -8.810 2.376 -19.644 158 HB3 PHE 1 2HB PHE 1 -8.339 0.719 -19.254 159 HD1 PHE 1 HD2 PHE 1 -7.201 4.218 -19.562 160 HD2 PHE 1 HD1 PHE 1 -6.021 0.189 -18.584 161 HE1 PHE 1 HE2 PHE 1 -5.109 5.086 -18.532 162 HE2 PHE 1 HE1 PHE 1 -3.929 1.055 -17.544 163 HZ PHE 1 HZ PHE 1 -3.466 3.509 -17.525 164 H VAL 2 H VAL 2 -5.538 0.957 -22.310 165 HA VAL 2 HA VAL 2 -5.859 -1.965 -22.522 166 HB VAL 2 HB VAL 2 -4.794 -0.586 -24.371 167 HG11 VAL 2 1HG1 VAL 2 -3.528 1.015 -22.932 168 HG12 VAL 2 2HG1 VAL 2 -2.431 -0.307 -22.470 169 HG13 VAL 2 3HG1 VAL 2 -2.511 0.234 -24.161 170 HG21 VAL 2 3HG2 VAL 2 -3.009 -2.165 -24.871 171 HG22 VAL 2 1HG2 VAL 2 -2.932 -2.678 -23.170 172 HG23 VAL 2 2HG2 VAL 2 -4.381 -3.027 -24.148 173 H ASN 3 H ASN 3 -4.655 -3.466 -21.299 174 HA ASN 3 HA ASN 3 -3.732 -2.401 -18.737 175 HB2 ASN 3 1HB ASN 3 -3.330 -4.677 -18.065 176 HB3 ASN 3 2HB ASN 3 -4.960 -4.557 -18.761 177 HD21 ASN 3 2HD2 ASN 3 -5.312 -5.502 -20.848 178 HD22 ASN 3 1HD2 ASN 3 -4.230 -6.737 -21.444 179 H GLN 4 H GLN 4 -1.751 -2.091 -18.076 180 HA GLN 4 HA GLN 4 0.462 -3.616 -19.114 181 HB2 GLN 4 1HB GLN 4 1.855 -1.589 -19.673 182 HB3 GLN 4 2HB GLN 4 0.574 -1.902 -20.846 183 HG2 GLN 4 1HG GLN 4 -0.809 -0.144 -19.818 184 HG3 GLN 4 2HG GLN 4 0.470 0.181 -18.649 185 HE21 GLN 4 2HE2 GLN 4 -0.690 0.703 -21.842 186 HE22 GLN 4 1HE2 GLN 4 0.606 1.748 -22.372 187 H HIS 5 H HIS 5 2.093 -3.534 -17.510 188 HA HIS 5 HA HIS 5 1.315 -2.426 -14.923 189 HB2 HIS 5 1HB HIS 5 3.989 -3.528 -15.881 190 HB3 HIS 5 2HB HIS 5 3.572 -3.136 -14.208 191 HD1 HIS 5 HD1 HIS 5 0.950 -4.403 -13.714 192 HD2 HIS 5 HD2 HIS 5 3.811 -6.254 -16.065 193 HE1 HIS 5 HE1 HIS 5 0.346 -6.885 -13.824 194 HE2 HIS 5 HE2 HIS 5 2.138 -7.992 -15.216 195 H LEU 6 H LEU 6 2.060 -0.562 -13.943 196 HA LEU 6 HA LEU 6 3.481 1.346 -15.769 197 HB2 LEU 6 1HB LEU 6 1.227 1.653 -13.785 198 HB3 LEU 6 2HB LEU 6 2.279 2.989 -14.136 199 HG LEU 6 HG LEU 6 0.735 3.602 -15.544 200 HD11 LEU 6 1HD1 LEU 6 1.772 1.359 -17.300 201 HD12 LEU 6 2HD1 LEU 6 2.448 2.996 -17.159 202 HD13 LEU 6 3HD1 LEU 6 0.836 2.766 -17.845 203 HD21 LEU 6 3HD2 LEU 6 -0.245 0.763 -15.804 204 HD22 LEU 6 1HD2 LEU 6 -1.046 2.219 -16.438 205 HD23 LEU 6 2HD2 LEU 6 -0.868 1.999 -14.687 206 H CYS 7 H CYS 7 5.538 1.355 -15.114 207 HA CYS 7 HA CYS 7 6.023 2.022 -12.258 208 HB2 CYS 7 1HB CYS 7 6.323 -0.514 -12.958 209 HB3 CYS 7 2HB CYS 7 7.825 0.070 -13.684 210 H GLY 8 H GLY 8 8.012 3.219 -11.970 211 HA2 GLY 8 1HA GLY 8 9.604 4.760 -12.638 212 HA3 GLY 8 2HA GLY 8 9.824 3.760 -14.087 213 H SER 9 H SER 9 9.962 5.342 -15.628 214 HA SER 9 HA SER 9 8.383 7.664 -15.752 215 HB2 SER 9 1HB SER 9 9.393 6.199 -18.194 216 HB3 SER 9 2HB SER 9 9.304 7.951 -17.898 217 HG SER 9 HG SER 9 11.417 7.344 -17.577 218 H HIS 10 H HIS 10 7.578 4.364 -16.814 219 HA HIS 10 HA HIS 10 5.475 5.094 -18.616 220 HB2 HIS 10 1HB HIS 10 6.357 2.650 -17.227 221 HB3 HIS 10 2HB HIS 10 4.617 2.721 -17.496 222 HD1 HIS 10 HD1 HIS 10 3.766 2.097 -19.823 223 HD2 HIS 10 HD2 HIS 10 7.886 2.918 -19.722 224 HE1 HIS 10 HE1 HIS 10 4.692 1.556 -22.126 225 HE2 HIS 10 HE2 HIS 10 7.171 2.061 -22.057 226 H LEU 11 H LEU 11 5.569 4.778 -15.080 227 HA LEU 11 HA LEU 11 2.712 4.899 -14.727 228 HB2 LEU 11 1HB LEU 11 4.283 4.106 -12.994 229 HB3 LEU 11 2HB LEU 11 5.003 5.705 -12.904 230 HG LEU 11 HG LEU 11 2.978 6.632 -11.932 231 HD11 LEU 11 1HD1 LEU 11 1.131 5.190 -11.201 232 HD12 LEU 11 2HD1 LEU 11 1.862 3.806 -12.047 233 HD13 LEU 11 3HD1 LEU 11 1.262 5.212 -12.967 234 HD21 LEU 11 3HD2 LEU 11 4.756 5.566 -10.560 235 HD22 LEU 11 1HD2 LEU 11 3.823 4.050 -10.565 236 HD23 LEU 11 2HD2 LEU 11 3.162 5.510 -9.791 237 H VAL 12 H VAL 12 5.307 7.343 -14.741 238 HA VAL 12 HA VAL 12 3.618 9.561 -14.154 239 HB VAL 12 HB VAL 12 6.238 9.471 -15.727 240 HG11 VAL 12 1HG1 VAL 12 6.506 11.809 -15.031 241 HG12 VAL 12 2HG1 VAL 12 5.035 11.597 -16.003 242 HG13 VAL 12 3HG1 VAL 12 4.915 11.764 -14.237 243 HG21 VAL 12 3HG2 VAL 12 5.690 9.774 -12.741 244 HG22 VAL 12 1HG2 VAL 12 6.542 8.432 -13.543 245 HG23 VAL 12 2HG2 VAL 12 7.272 10.046 -13.509 246 H GLU 13 H GLU 13 4.667 8.103 -17.249 247 HA GLU 13 HA GLU 13 3.486 10.075 -18.950 248 HB2 GLU 13 1HB GLU 13 4.115 7.130 -19.332 249 HB3 GLU 13 2HB GLU 13 3.503 8.154 -20.635 250 HG2 GLU 13 1HG GLU 13 5.461 9.529 -20.603 251 HG3 GLU 13 2HG GLU 13 6.037 8.798 -19.103 252 HE2 GLU 13 HE2 GLU 13 6.325 8.865 -22.187 253 H ALA 14 H ALA 14 2.184 7.146 -17.391 254 HA ALA 14 HA ALA 14 -0.299 7.209 -18.881 255 HB1 ALA 14 3HB ALA 14 -1.051 5.599 -17.174 256 HB2 ALA 14 1HB ALA 14 0.565 5.178 -17.794 257 HB3 ALA 14 2HB ALA 14 0.400 5.950 -16.201 258 H LEU 15 H LEU 15 0.827 8.492 -15.750 259 HA LEU 15 HA LEU 15 -1.733 9.301 -14.820 260 HB2 LEU 15 1HB LEU 15 1.084 10.195 -14.202 261 HB3 LEU 15 2HB LEU 15 -0.316 10.921 -13.417 262 HG LEU 15 HG LEU 15 0.323 7.966 -13.302 263 HD11 LEU 15 1HD1 LEU 15 2.042 9.333 -12.168 264 HD12 LEU 15 2HD1 LEU 15 1.096 8.325 -11.056 265 HD13 LEU 15 3HD1 LEU 15 0.759 10.064 -11.177 266 HD21 LEU 15 3HD2 LEU 15 -1.697 9.703 -11.906 267 HD22 LEU 15 1HD2 LEU 15 -1.321 8.023 -11.462 268 HD23 LEU 15 2HD2 LEU 15 -2.013 8.375 -13.042 269 H TYR 16 H TYR 16 0.561 10.971 -16.956 270 HA TYR 16 HA TYR 16 -0.687 13.532 -16.862 271 HB2 TYR 16 1HB TYR 16 0.873 12.026 -18.963 272 HB3 TYR 16 2HB TYR 16 0.052 13.529 -19.392 273 HD1 TYR 16 HD2 TYR 16 0.517 15.619 -17.881 274 HD2 TYR 16 HD1 TYR 16 3.063 12.153 -18.030 275 HE1 TYR 16 HE2 TYR 16 2.410 16.963 -16.965 276 HE2 TYR 16 HE1 TYR 16 4.960 13.521 -17.147 277 HH TYR 16 HH TYR 16 5.642 15.574 -16.403 278 H LEU 17 H LEU 17 -1.459 10.623 -18.806 279 HA LEU 17 HA LEU 17 -3.601 11.938 -20.228 280 HB2 LEU 17 1HB LEU 17 -3.126 8.994 -19.690 281 HB3 LEU 17 2HB LEU 17 -4.258 9.670 -20.850 282 HG LEU 17 HG LEU 17 -1.242 10.012 -21.002 283 HD11 LEU 17 1HD1 LEU 17 -1.896 7.644 -21.194 284 HD12 LEU 17 2HD1 LEU 17 -1.321 8.282 -22.748 285 HD13 LEU 17 3HD1 LEU 17 -3.065 8.064 -22.472 286 HD21 LEU 17 3HD2 LEU 17 -1.702 10.645 -23.358 287 HD22 LEU 17 1HD2 LEU 17 -2.453 11.768 -22.209 288 HD23 LEU 17 2HD2 LEU 17 -3.449 10.548 -23.035 289 H VAL 18 H VAL 18 -3.499 9.763 -17.397 290 HA VAL 18 HA VAL 18 -6.356 9.458 -17.260 291 HB VAL 18 HB VAL 18 -4.159 8.987 -15.190 292 HG11 VAL 18 1HG1 VAL 18 -7.105 8.276 -15.132 293 HG12 VAL 18 2HG1 VAL 18 -5.883 7.502 -14.104 294 HG13 VAL 18 3HG1 VAL 18 -6.172 9.233 -13.955 295 HG21 VAL 18 3HG2 VAL 18 -5.688 7.108 -17.022 296 HG22 VAL 18 1HG2 VAL 18 -3.988 7.591 -17.184 297 HG23 VAL 18 2HG2 VAL 18 -4.500 6.623 -15.792 298 H CYS 19 H CYS 19 -4.060 11.617 -15.621 299 HA CYS 19 HA CYS 19 -6.278 12.769 -14.055 300 HB2 CYS 19 1HB CYS 19 -3.806 12.373 -13.292 301 HB3 CYS 19 2HB CYS 19 -3.503 13.910 -14.121 302 H GLY 20 H GLY 20 -4.538 13.448 -17.054 303 HA2 GLY 20 1HA GLY 20 -4.875 15.161 -18.561 304 HA3 GLY 20 2HA GLY 20 -6.350 15.590 -17.675 305 H GLU 21 H GLU 21 -5.953 17.802 -17.895 306 HA GLU 21 HA GLU 21 -3.504 19.075 -17.137 307 HB2 GLU 21 1HB GLU 21 -6.341 20.127 -17.405 308 HB3 GLU 21 2HB GLU 21 -4.915 21.151 -17.183 309 HG2 GLU 21 1HG GLU 21 -3.970 20.308 -19.296 310 HG3 GLU 21 2HG GLU 21 -5.394 19.284 -19.530 311 HE2 GLU 21 HE2 GLU 21 -5.451 22.889 -20.785 312 H ARG 22 H ARG 22 -5.759 17.621 -15.062 313 HA ARG 22 HA ARG 22 -5.942 19.620 -12.996 314 HB2 ARG 22 1HB ARG 22 -6.222 16.604 -12.945 315 HB3 ARG 22 2HB ARG 22 -6.538 17.634 -11.547 316 HG2 ARG 22 1HG ARG 22 -8.328 18.779 -12.724 317 HG3 ARG 22 2HG ARG 22 -7.990 17.871 -14.208 318 HD2 ARG 22 1HD ARG 22 -8.778 16.557 -11.585 319 HD3 ARG 22 2HD ARG 22 -9.943 17.029 -12.839 320 HE ARG 22 HE ARG 22 -7.903 15.467 -14.058 321 HH11 ARG 22 1HH1 ARG 22 -10.577 14.996 -11.784 322 HH12 ARG 22 2HH1 ARG 22 -10.815 13.337 -12.273 323 HH21 ARG 22 1HH2 ARG 22 -8.288 13.367 -14.632 324 HH22 ARG 22 2HH2 ARG 22 -9.547 12.438 -13.855 325 H GLY 23 H GLY 23 -3.404 17.383 -13.850 326 HA2 GLY 23 1HA GLY 23 -1.218 17.454 -13.047 327 HA3 GLY 23 2HA GLY 23 -1.717 18.580 -11.780 328 H PHE 24 H PHE 24 0.044 16.310 -11.510 329 HA PHE 24 HA PHE 24 -1.390 14.795 -9.428 330 HB2 PHE 24 1HB PHE 24 -0.830 12.643 -10.420 331 HB3 PHE 24 2HB PHE 24 -1.816 13.566 -11.553 332 HD1 PHE 24 HD2 PHE 24 1.538 12.248 -10.826 333 HD2 PHE 24 HD1 PHE 24 -0.878 14.395 -13.651 334 HE1 PHE 24 HE2 PHE 24 3.291 11.949 -12.518 335 HE2 PHE 24 HE1 PHE 24 0.885 14.104 -15.374 336 HZ PHE 24 HZ PHE 24 2.976 12.870 -14.830 337 H PHE 25 H PHE 25 0.278 13.153 -8.483 338 HA PHE 25 HA PHE 25 2.998 14.395 -8.518 339 HB2 PHE 25 1HB PHE 25 3.145 13.920 -6.091 340 HB3 PHE 25 2HB PHE 25 1.891 15.104 -6.467 341 HD1 PHE 25 HD2 PHE 25 2.451 11.506 -5.590 342 HD2 PHE 25 HD1 PHE 25 -0.379 14.739 -5.851 343 HE1 PHE 25 HE2 PHE 25 0.764 10.121 -4.397 344 HE2 PHE 25 HE1 PHE 25 -2.071 13.359 -4.654 345 HZ PHE 25 HZ PHE 25 -1.503 11.043 -3.932 346 H TYR 26 H TYR 26 4.662 12.870 -7.696 347 HA TYR 26 HA TYR 26 3.964 9.998 -7.895 348 HB2 TYR 26 1HB TYR 26 4.580 10.489 -10.187 349 HB3 TYR 26 2HB TYR 26 5.967 11.458 -9.662 350 HD1 TYR 26 HD2 TYR 26 4.698 7.962 -8.923 351 HD2 TYR 26 HD1 TYR 26 8.026 10.447 -10.057 352 HE1 TYR 26 HE2 TYR 26 6.191 5.972 -8.947 353 HE2 TYR 26 HE1 TYR 26 9.494 8.435 -10.129 354 HH TYR 26 HH TYR 26 9.645 6.187 -9.824 355 H THR 27 H THR 27 5.289 8.797 -6.559 356 HA THR 27 HA THR 27 7.234 10.364 -4.940 357 HB THR 27 HB THR 27 6.807 8.395 -3.294 358 HG1 THR 27 HG1 THR 27 4.569 7.650 -3.648 359 HG21 THR 27 1HG2 THR 27 4.837 9.524 -2.372 360 HG22 THR 27 2HG2 THR 27 4.530 10.329 -3.927 361 HG23 THR 27 3HG2 THR 27 5.982 10.739 -2.980 362 HA PRO 28 HA PRO 28 9.855 7.345 -7.142 363 HB2 PRO 28 1HB PRO 28 12.137 8.815 -7.248 364 HB3 PRO 28 2HB PRO 28 10.761 9.161 -8.343 365 HG2 PRO 28 1HG PRO 28 11.473 10.477 -5.735 366 HG3 PRO 28 2HG PRO 28 11.145 11.236 -7.326 367 HD2 PRO 28 1HD PRO 28 9.235 11.027 -5.417 368 HD3 PRO 28 2HD PRO 28 8.844 10.854 -7.164 369 H LYS 29 H LYS 29 12.043 6.390 -6.489 370 HA LYS 29 HA LYS 29 12.504 6.670 -3.549 371 HB2 LYS 29 1HB LYS 29 13.292 4.297 -3.584 372 HB3 LYS 29 2HB LYS 29 11.557 4.503 -3.803 373 HG2 LYS 29 1HG LYS 29 11.548 3.556 -5.864 374 HG3 LYS 29 2HG LYS 29 13.059 4.317 -6.362 375 HD2 LYS 29 1HD LYS 29 13.416 2.263 -4.254 376 HD3 LYS 29 2HD LYS 29 12.724 1.639 -5.754 377 HE2 LYS 29 1HE LYS 29 15.103 1.399 -5.933 378 HE3 LYS 29 2HE LYS 29 14.623 2.702 -7.029 379 HZ1 LYS 29 3HZ LYS 29 15.450 4.306 -5.450 380 HZ2 LYS 29 1HZ LYS 29 16.640 3.207 -5.743 381 HZ3 LYS 29 2HZ LYS 29 15.794 3.138 -4.333 382 H THR 30 H THR 30 14.385 7.623 -3.181 383 HA THR 30 HA THR 30 16.468 7.545 -5.282 384 HB THR 30 HB THR 30 17.678 9.149 -3.750 385 HG1 THR 30 HG1 THR 30 16.270 9.950 -2.001 386 HG21 THR 30 1HG2 THR 30 14.728 9.903 -4.314 387 HG22 THR 30 2HG2 THR 30 16.035 9.986 -5.509 388 HG23 THR 30 3HG2 THR 30 16.076 11.032 -4.085 389 HXT THR 30 H02 THR 30 16.890 7.398 -2.015 Start of MODEL 34 1 H1 GLY 1 3H0 GLY 1 4.846 -0.297 -0.251 2 H2 GLY 1 2H0 GLY 1 3.343 -0.449 -0.919 3 H3 GLY 1 1H0 GLY 1 4.681 -0.508 -1.882 4 HA2 GLY 1 1HA GLY 1 3.796 1.840 -0.345 5 HA3 GLY 1 2HA GLY 1 5.216 1.767 -1.410 6 H ILE 2 H ILE 2 3.423 3.732 -1.973 7 HA ILE 2 HA ILE 2 1.169 2.919 -3.466 8 HB ILE 2 HB ILE 2 1.609 5.174 -2.377 9 HG12 ILE 2 1HG1 ILE 2 0.664 5.234 -5.250 10 HG13 ILE 2 2HG1 ILE 2 -0.290 4.648 -3.892 11 HG21 ILE 2 1HG2 ILE 2 3.906 5.529 -3.439 12 HG22 ILE 2 2HG2 ILE 2 3.072 5.880 -4.972 13 HG23 ILE 2 3HG2 ILE 2 2.812 6.917 -3.554 14 HD11 ILE 2 3HD1 ILE 2 -0.155 6.950 -2.869 15 HD12 ILE 2 1HD1 ILE 2 0.670 7.511 -4.346 16 HD13 ILE 2 2HD1 ILE 2 -0.997 6.905 -4.434 17 H VAL 3 H VAL 3 4.508 3.501 -4.606 18 HA VAL 3 HA VAL 3 3.743 3.501 -7.381 19 HB VAL 3 HB VAL 3 5.810 4.575 -6.559 20 HG11 VAL 3 1HG1 VAL 3 7.784 3.290 -5.921 21 HG12 VAL 3 2HG1 VAL 3 6.442 2.943 -4.817 22 HG13 VAL 3 3HG1 VAL 3 6.884 1.767 -6.083 23 HG21 VAL 3 3HG2 VAL 3 6.458 2.340 -8.522 24 HG22 VAL 3 1HG2 VAL 3 5.621 3.854 -8.935 25 HG23 VAL 3 2HG2 VAL 3 7.297 3.898 -8.351 26 H GLU 4 H GLU 4 4.381 0.928 -5.074 27 HA GLU 4 HA GLU 4 4.932 -1.103 -7.063 28 HB2 GLU 4 1HB GLU 4 4.124 -1.225 -4.145 29 HB3 GLU 4 2HB GLU 4 4.261 -2.668 -5.145 30 HG2 GLU 4 1HG GLU 4 6.327 -2.533 -4.039 31 HG3 GLU 4 2HG GLU 4 6.648 -1.952 -5.680 32 HE2 GLU 4 HE2 GLU 4 8.306 -0.959 -5.005 33 H GLN 5 H GLN 5 2.032 0.299 -5.651 34 HA GLN 5 HA GLN 5 0.175 -1.756 -6.153 35 HB2 GLN 5 1HB GLN 5 -0.169 0.430 -4.909 36 HB3 GLN 5 2HB GLN 5 -0.257 1.235 -6.472 37 HG2 GLN 5 1HG GLN 5 -2.492 0.928 -5.721 38 HG3 GLN 5 2HG GLN 5 -2.239 -0.209 -7.048 39 HE21 GLN 5 2HE2 GLN 5 -4.237 -1.089 -5.950 40 HE22 GLN 5 1HE2 GLN 5 -3.968 -2.278 -4.689 41 H CYS 6 H CYS 6 1.562 0.679 -8.338 42 HA CYS 6 HA CYS 6 -0.121 -0.415 -10.547 43 HB2 CYS 6 1HB CYS 6 1.547 2.088 -10.257 44 HB3 CYS 6 2HB CYS 6 0.882 1.548 -11.802 45 H CYS 7 H CYS 7 3.017 -0.769 -9.276 46 HA CYS 7 HA CYS 7 4.199 -1.306 -11.925 47 HB2 CYS 7 1HB CYS 7 5.424 0.050 -10.295 48 HB3 CYS 7 2HB CYS 7 5.411 -1.291 -9.149 49 H THR 8 H THR 8 3.568 -3.105 -8.846 50 HA THR 8 HA THR 8 4.848 -5.480 -9.921 51 HB THR 8 HB THR 8 4.623 -4.824 -7.424 52 HG1 THR 8 HG1 THR 8 4.047 -7.436 -8.402 53 HG21 THR 8 1HG2 THR 8 2.722 -5.633 -6.213 54 HG22 THR 8 2HG2 THR 8 2.022 -6.382 -7.660 55 HG23 THR 8 3HG2 THR 8 2.078 -4.610 -7.512 56 H SER 9 H SER 9 1.706 -4.113 -10.189 57 HA SER 9 HA SER 9 0.915 -6.386 -11.866 58 HB2 SER 9 1HB SER 9 0.072 -6.885 -9.469 59 HB3 SER 9 2HB SER 9 -0.951 -5.438 -9.615 60 HG SER 9 HG SER 9 -1.934 -7.512 -10.229 61 H ILE 10 H ILE 10 -1.748 -5.495 -12.291 62 HA ILE 10 HA ILE 10 -1.029 -2.942 -13.662 63 HB ILE 10 HB ILE 10 -3.114 -5.001 -14.458 64 HG12 ILE 10 1HG1 ILE 10 -0.270 -4.463 -15.391 65 HG13 ILE 10 2HG1 ILE 10 -0.854 -5.905 -14.560 66 HG21 ILE 10 1HG2 ILE 10 -3.281 -3.725 -16.531 67 HG22 ILE 10 2HG2 ILE 10 -3.533 -2.599 -15.196 68 HG23 ILE 10 3HG2 ILE 10 -1.965 -2.637 -16.031 69 HD11 ILE 10 3HD1 ILE 10 -0.608 -6.574 -16.713 70 HD12 ILE 10 1HD1 ILE 10 -2.352 -6.249 -16.581 71 HD13 ILE 10 2HD1 ILE 10 -1.271 -5.068 -17.368 72 H CYS 11 H CYS 11 -1.704 -1.328 -12.344 73 HA CYS 11 HA CYS 11 -4.254 -1.527 -10.937 74 HB2 CYS 11 1HB CYS 11 -3.766 0.684 -10.129 75 HB3 CYS 11 2HB CYS 11 -2.286 -0.267 -10.042 76 H SER 12 H SER 12 -6.109 -0.234 -11.428 77 HA SER 12 HA SER 12 -6.494 0.082 -14.325 78 HB2 SER 12 1HB SER 12 -8.859 0.388 -13.678 79 HB3 SER 12 2HB SER 12 -8.171 -1.074 -12.938 80 HG SER 12 HG SER 12 -9.139 -0.081 -11.276 81 H LEU 13 H LEU 13 -7.802 2.055 -15.053 82 HA LEU 13 HA LEU 13 -6.384 4.443 -14.479 83 HB2 LEU 13 1HB LEU 13 -7.976 5.568 -15.846 84 HB3 LEU 13 2HB LEU 13 -7.625 4.002 -16.557 85 HG LEU 13 HG LEU 13 -9.879 3.364 -15.185 86 HD11 LEU 13 1HD1 LEU 13 -10.257 5.661 -14.360 87 HD12 LEU 13 2HD1 LEU 13 -11.522 5.195 -15.513 88 HD13 LEU 13 3HD1 LEU 13 -10.213 6.281 -16.029 89 HD21 LEU 13 3HD2 LEU 13 -9.414 2.942 -17.562 90 HD22 LEU 13 1HD2 LEU 13 -9.739 4.653 -17.939 91 HD23 LEU 13 2HD2 LEU 13 -11.046 3.605 -17.337 92 H TYR 14 H TYR 14 -9.169 2.988 -12.923 93 HA TYR 14 HA TYR 14 -10.090 5.333 -11.551 94 HB2 TYR 14 1HB TYR 14 -10.278 2.461 -10.607 95 HB3 TYR 14 2HB TYR 14 -11.376 3.792 -10.241 96 HD1 TYR 14 HD2 TYR 14 -12.600 4.863 -12.367 97 HD2 TYR 14 HD1 TYR 14 -10.776 0.968 -12.321 98 HE1 TYR 14 HE2 TYR 14 -13.950 4.202 -14.362 99 HE2 TYR 14 HE1 TYR 14 -12.113 0.322 -14.333 100 HH TYR 14 HH TYR 14 -14.453 2.536 -15.855 101 H GLN 15 H GLN 15 -7.684 2.826 -10.858 102 HA GLN 15 HA GLN 15 -7.133 3.714 -8.149 103 HB2 GLN 15 1HB GLN 15 -5.469 2.115 -10.127 104 HB3 GLN 15 2HB GLN 15 -5.075 2.330 -8.424 105 HG2 GLN 15 1HG GLN 15 -7.795 1.248 -8.961 106 HG3 GLN 15 2HG GLN 15 -6.451 0.207 -9.448 107 HE21 GLN 15 2HE2 GLN 15 -8.416 1.136 -6.878 108 HE22 GLN 15 1HE2 GLN 15 -7.463 0.452 -5.586 109 H LEU 16 H LEU 16 -5.847 4.370 -11.396 110 HA LEU 16 HA LEU 16 -3.634 5.968 -10.606 111 HB2 LEU 16 1HB LEU 16 -5.272 5.907 -13.142 112 HB3 LEU 16 2HB LEU 16 -3.858 6.936 -12.942 113 HG LEU 16 HG LEU 16 -3.802 3.912 -12.665 114 HD11 LEU 16 1HD1 LEU 16 -4.371 4.575 -14.977 115 HD12 LEU 16 2HD1 LEU 16 -2.758 3.858 -14.868 116 HD13 LEU 16 3HD1 LEU 16 -2.934 5.622 -15.024 117 HD21 LEU 16 3HD2 LEU 16 -1.580 5.970 -12.937 118 HD22 LEU 16 1HD2 LEU 16 -1.366 4.208 -12.905 119 HD23 LEU 16 2HD2 LEU 16 -1.979 5.043 -11.472 120 H GLU 17 H GLU 17 -7.059 6.820 -10.955 121 HA GLU 17 HA GLU 17 -6.814 9.642 -11.006 122 HB2 GLU 17 1HB GLU 17 -8.874 7.781 -9.817 123 HB3 GLU 17 2HB GLU 17 -9.055 9.527 -9.724 124 HG2 GLU 17 1HG GLU 17 -8.629 8.133 -12.372 125 HG3 GLU 17 2HG GLU 17 -10.230 8.261 -11.643 126 HE2 GLU 17 HE2 GLU 17 -8.926 9.347 -13.910 127 H ASN 18 H ASN 18 -6.309 7.431 -8.292 128 HA ASN 18 HA ASN 18 -6.593 9.373 -6.196 129 HB2 ASN 18 1HB ASN 18 -4.986 6.798 -6.323 130 HB3 ASN 18 2HB ASN 18 -5.252 7.747 -4.855 131 HD21 ASN 18 2HD2 ASN 18 -6.271 5.122 -6.484 132 HD22 ASN 18 1HD2 ASN 18 -7.917 5.035 -5.891 133 H TYR 19 H TYR 19 -4.012 8.728 -8.455 134 HA TYR 19 HA TYR 19 -1.870 9.842 -6.809 135 HB2 TYR 19 1HB TYR 19 -2.101 9.130 -9.722 136 HB3 TYR 19 2HB TYR 19 -0.606 9.679 -8.979 137 HD1 TYR 19 HD2 TYR 19 -3.211 6.972 -8.713 138 HD2 TYR 19 HD1 TYR 19 0.872 8.115 -8.030 139 HE1 TYR 19 HE2 TYR 19 -2.679 4.653 -8.088 140 HE2 TYR 19 HE1 TYR 19 1.403 5.769 -7.414 141 HH TYR 19 HH TYR 19 0.526 3.617 -7.001 142 H CYS 20 H CYS 20 -4.438 11.213 -8.571 143 HA CYS 20 HA CYS 20 -2.988 13.299 -9.943 144 HB2 CYS 20 1HB CYS 20 -5.929 13.140 -9.226 145 HB3 CYS 20 2HB CYS 20 -5.198 14.245 -10.396 146 H ASN 21 H ASN 21 -2.964 15.492 -9.542 147 HA ASN 21 HA ASN 21 -2.913 16.175 -6.658 148 HB2 ASN 21 1HB ASN 21 -0.978 16.671 -8.296 149 HB3 ASN 21 2HB ASN 21 -1.972 17.980 -8.933 150 HD21 ASN 21 2HD2 ASN 21 -2.770 19.608 -7.301 151 HD22 ASN 21 1HD2 ASN 21 -1.707 19.957 -5.967 152 HXT ASN 21 H02 ASN 21 -4.055 17.671 -9.447 153 H1 PHE 1 3H0 PHE 1 -8.281 1.319 -23.625 154 H2 PHE 1 2H0 PHE 1 -9.039 0.636 -22.329 155 H3 PHE 1 1H0 PHE 1 -9.035 2.276 -22.513 156 HA PHE 1 HA PHE 1 -6.645 2.356 -22.219 157 HB2 PHE 1 1HB PHE 1 -8.354 2.488 -20.309 158 HB3 PHE 1 2HB PHE 1 -7.959 0.802 -19.962 159 HD1 PHE 1 HD2 PHE 1 -5.746 0.188 -19.040 160 HD2 PHE 1 HD1 PHE 1 -6.789 4.293 -19.834 161 HE1 PHE 1 HE2 PHE 1 -3.816 0.943 -17.656 162 HE2 PHE 1 HE1 PHE 1 -4.866 5.055 -18.445 163 HZ PHE 1 HZ PHE 1 -3.367 3.383 -17.367 164 H VAL 2 H VAL 2 -4.776 1.226 -22.669 165 HA VAL 2 HA VAL 2 -5.018 -1.689 -23.001 166 HB VAL 2 HB VAL 2 -3.822 -0.271 -24.710 167 HG11 VAL 2 1HG1 VAL 2 -1.655 0.060 -22.596 168 HG12 VAL 2 2HG1 VAL 2 -1.604 0.631 -24.277 169 HG13 VAL 2 3HG1 VAL 2 -2.755 1.349 -23.135 170 HG21 VAL 2 3HG2 VAL 2 -3.343 -2.695 -24.483 171 HG22 VAL 2 1HG2 VAL 2 -1.934 -1.777 -25.046 172 HG23 VAL 2 2HG2 VAL 2 -2.015 -2.317 -23.355 173 H ASN 3 H ASN 3 -3.999 -3.220 -21.685 174 HA ASN 3 HA ASN 3 -3.277 -2.220 -19.030 175 HB2 ASN 3 1HB ASN 3 -3.019 -4.541 -18.399 176 HB3 ASN 3 2HB ASN 3 -4.589 -4.310 -19.191 177 HD21 ASN 3 2HD2 ASN 3 -4.905 -5.237 -21.248 178 HD22 ASN 3 1HD2 ASN 3 -3.837 -6.482 -21.851 179 H GLN 4 H GLN 4 -1.339 -2.105 -18.152 180 HA GLN 4 HA GLN 4 0.932 -3.566 -19.193 181 HB2 GLN 4 1HB GLN 4 2.333 -1.493 -19.514 182 HB3 GLN 4 2HB GLN 4 1.105 -1.727 -20.764 183 HG2 GLN 4 1HG GLN 4 -0.357 -0.098 -19.608 184 HG3 GLN 4 2HG GLN 4 0.918 0.181 -18.427 185 HE21 GLN 4 2HE2 GLN 4 -0.437 1.215 -21.291 186 HE22 GLN 4 1HE2 GLN 4 0.886 2.203 -21.862 187 H HIS 5 H HIS 5 2.431 -3.720 -17.514 188 HA HIS 5 HA HIS 5 1.705 -2.689 -14.873 189 HB2 HIS 5 1HB HIS 5 4.338 -3.828 -15.921 190 HB3 HIS 5 2HB HIS 5 4.021 -3.400 -14.237 191 HD1 HIS 5 HD1 HIS 5 1.499 -4.657 -13.457 192 HD2 HIS 5 HD2 HIS 5 4.046 -6.526 -16.119 193 HE1 HIS 5 HE1 HIS 5 0.880 -7.148 -13.495 194 HE2 HIS 5 HE2 HIS 5 2.473 -8.251 -15.094 195 H LEU 6 H LEU 6 2.493 -0.814 -13.883 196 HA LEU 6 HA LEU 6 3.896 1.070 -15.754 197 HB2 LEU 6 1HB LEU 6 1.743 1.532 -13.679 198 HB3 LEU 6 2HB LEU 6 2.600 2.813 -14.507 199 HG LEU 6 HG LEU 6 0.895 0.762 -15.932 200 HD11 LEU 6 1HD1 LEU 6 0.197 3.578 -15.025 201 HD12 LEU 6 2HD1 LEU 6 -0.470 2.063 -14.368 202 HD13 LEU 6 3HD1 LEU 6 -0.814 2.527 -16.044 203 HD21 LEU 6 3HD2 LEU 6 0.932 2.491 -17.738 204 HD22 LEU 6 1HD2 LEU 6 2.530 1.807 -17.399 205 HD23 LEU 6 2HD2 LEU 6 2.098 3.419 -16.783 206 H CYS 7 H CYS 7 5.947 1.134 -15.066 207 HA CYS 7 HA CYS 7 6.401 1.754 -12.175 208 HB2 CYS 7 1HB CYS 7 8.305 0.294 -14.032 209 HB3 CYS 7 2HB CYS 7 8.448 0.474 -12.282 210 H GLY 8 H GLY 8 7.915 3.425 -11.768 211 HA2 GLY 8 1HA GLY 8 9.198 5.281 -12.255 212 HA3 GLY 8 2HA GLY 8 9.826 4.332 -13.608 213 H SER 9 H SER 9 9.894 5.662 -15.293 214 HA SER 9 HA SER 9 8.205 7.856 -15.761 215 HB2 SER 9 1HB SER 9 9.174 6.766 -18.233 216 HB3 SER 9 2HB SER 9 9.788 8.157 -17.305 217 HG SER 9 HG SER 9 11.415 6.619 -17.443 218 H HIS 10 H HIS 10 7.635 4.433 -16.562 219 HA HIS 10 HA HIS 10 5.633 4.931 -18.583 220 HB2 HIS 10 1HB HIS 10 6.448 2.637 -16.881 221 HB3 HIS 10 2HB HIS 10 4.756 2.641 -17.370 222 HD1 HIS 10 HD1 HIS 10 4.185 1.904 -19.747 223 HD2 HIS 10 HD2 HIS 10 8.297 2.572 -19.149 224 HE1 HIS 10 HE1 HIS 10 5.385 1.088 -21.828 225 HE2 HIS 10 HE2 HIS 10 7.859 1.496 -21.461 226 H LEU 11 H LEU 11 5.524 4.713 -15.022 227 HA LEU 11 HA LEU 11 2.661 4.899 -14.839 228 HB2 LEU 11 1HB LEU 11 4.136 4.073 -13.019 229 HB3 LEU 11 2HB LEU 11 4.829 5.679 -12.851 230 HG LEU 11 HG LEU 11 2.720 6.567 -12.036 231 HD11 LEU 11 1HD1 LEU 11 1.096 5.239 -13.229 232 HD12 LEU 11 2HD1 LEU 11 0.846 5.020 -11.490 233 HD13 LEU 11 3HD1 LEU 11 1.665 3.752 -12.431 234 HD21 LEU 11 3HD2 LEU 11 4.283 5.578 -10.432 235 HD22 LEU 11 1HD2 LEU 11 3.527 3.981 -10.646 236 HD23 LEU 11 2HD2 LEU 11 2.610 5.319 -9.909 237 H VAL 12 H VAL 12 5.310 7.277 -14.760 238 HA VAL 12 HA VAL 12 3.741 9.571 -14.227 239 HB VAL 12 HB VAL 12 6.320 9.255 -15.840 240 HG11 VAL 12 1HG1 VAL 12 5.208 11.409 -16.329 241 HG12 VAL 12 2HG1 VAL 12 5.189 11.773 -14.589 242 HG13 VAL 12 3HG1 VAL 12 6.734 11.616 -15.448 243 HG21 VAL 12 3HG2 VAL 12 6.523 8.452 -13.521 244 HG22 VAL 12 1HG2 VAL 12 7.420 9.967 -13.720 245 HG23 VAL 12 2HG2 VAL 12 5.835 9.972 -12.913 246 H GLU 13 H GLU 13 4.632 8.075 -17.386 247 HA GLU 13 HA GLU 13 3.338 10.105 -18.950 248 HB2 GLU 13 1HB GLU 13 4.117 7.233 -19.523 249 HB3 GLU 13 2HB GLU 13 3.375 8.286 -20.736 250 HG2 GLU 13 1HG GLU 13 5.985 8.853 -19.292 251 HG3 GLU 13 2HG GLU 13 5.832 8.230 -20.940 252 HE2 GLU 13 HE2 GLU 13 5.808 12.002 -20.356 253 H ALA 14 H ALA 14 2.159 7.124 -17.448 254 HA ALA 14 HA ALA 14 -0.350 7.116 -18.898 255 HB1 ALA 14 3HB ALA 14 -1.045 5.498 -17.157 256 HB2 ALA 14 1HB ALA 14 0.559 5.096 -17.817 257 HB3 ALA 14 2HB ALA 14 0.424 5.875 -16.223 258 H LEU 15 H LEU 15 0.823 8.442 -15.817 259 HA LEU 15 HA LEU 15 -1.731 9.259 -14.855 260 HB2 LEU 15 1HB LEU 15 1.115 10.046 -14.246 261 HB3 LEU 15 2HB LEU 15 -0.246 10.848 -13.464 262 HG LEU 15 HG LEU 15 0.174 7.853 -13.355 263 HD11 LEU 15 1HD1 LEU 15 1.034 8.158 -11.103 264 HD12 LEU 15 2HD1 LEU 15 0.870 9.921 -11.240 265 HD13 LEU 15 3HD1 LEU 15 2.052 9.054 -12.249 266 HD21 LEU 15 3HD2 LEU 15 -1.402 8.054 -11.480 267 HD22 LEU 15 1HD2 LEU 15 -2.114 8.589 -13.002 268 HD23 LEU 15 2HD2 LEU 15 -1.560 9.795 -11.822 269 H TYR 16 H TYR 16 0.566 10.883 -17.019 270 HA TYR 16 HA TYR 16 -0.567 13.491 -16.879 271 HB2 TYR 16 1HB TYR 16 0.846 11.920 -19.032 272 HB3 TYR 16 2HB TYR 16 0.044 13.433 -19.455 273 HD1 TYR 16 HD1 TYR 16 0.627 15.536 -17.980 274 HD2 TYR 16 HD2 TYR 16 3.086 12.017 -18.245 275 HE1 TYR 16 HE1 TYR 16 2.602 16.847 -17.196 276 HE2 TYR 16 HE2 TYR 16 5.059 13.346 -17.488 277 HH TYR 16 HH TYR 16 5.829 15.387 -16.805 278 H LEU 17 H LEU 17 -1.552 10.606 -18.744 279 HA LEU 17 HA LEU 17 -3.659 12.002 -20.129 280 HB2 LEU 17 1HB LEU 17 -3.327 9.050 -19.538 281 HB3 LEU 17 2HB LEU 17 -4.458 9.763 -20.677 282 HG LEU 17 HG LEU 17 -1.435 9.941 -20.930 283 HD11 LEU 17 1HD1 LEU 17 -2.213 7.609 -21.053 284 HD12 LEU 17 2HD1 LEU 17 -1.659 8.185 -22.638 285 HD13 LEU 17 3HD1 LEU 17 -3.402 8.063 -22.301 286 HD21 LEU 17 3HD2 LEU 17 -3.677 10.550 -22.904 287 HD22 LEU 17 1HD2 LEU 17 -1.938 10.553 -23.285 288 HD23 LEU 17 2HD2 LEU 17 -2.593 11.734 -22.137 289 H VAL 18 H VAL 18 -3.621 9.898 -17.227 290 HA VAL 18 HA VAL 18 -6.505 9.823 -17.080 291 HB VAL 18 HB VAL 18 -4.411 9.170 -14.944 292 HG11 VAL 18 1HG1 VAL 18 -6.260 7.796 -13.931 293 HG12 VAL 18 2HG1 VAL 18 -6.572 9.537 -13.872 294 HG13 VAL 18 3HG1 VAL 18 -7.393 8.527 -15.089 295 HG21 VAL 18 3HG2 VAL 18 -5.881 7.443 -16.981 296 HG22 VAL 18 1HG2 VAL 18 -4.134 7.758 -16.902 297 HG23 VAL 18 2HG2 VAL 18 -4.917 6.808 -15.634 298 H CYS 19 H CYS 19 -3.995 11.775 -15.451 299 HA CYS 19 HA CYS 19 -6.055 13.100 -13.850 300 HB2 CYS 19 1HB CYS 19 -3.098 13.671 -14.154 301 HB3 CYS 19 2HB CYS 19 -4.180 14.402 -12.957 302 H GLY 20 H GLY 20 -4.489 13.632 -16.957 303 HA2 GLY 20 1HA GLY 20 -4.726 15.382 -18.436 304 HA3 GLY 20 2HA GLY 20 -6.225 15.793 -17.581 305 H GLU 21 H GLU 21 -6.079 17.956 -17.498 306 HA GLU 21 HA GLU 21 -3.664 19.409 -16.988 307 HB2 GLU 21 1HB GLU 21 -6.575 20.257 -16.711 308 HB3 GLU 21 2HB GLU 21 -5.190 21.342 -16.707 309 HG2 GLU 21 1HG GLU 21 -5.903 21.549 -18.890 310 HG3 GLU 21 2HG GLU 21 -4.653 20.309 -19.059 311 HE2 GLU 21 HE2 GLU 21 -6.151 20.392 -20.897 312 H ARG 22 H ARG 22 -5.580 17.666 -14.752 313 HA ARG 22 HA ARG 22 -5.394 19.506 -12.509 314 HB2 ARG 22 1HB ARG 22 -5.777 16.495 -12.616 315 HB3 ARG 22 2HB ARG 22 -5.924 17.473 -11.156 316 HG2 ARG 22 1HG ARG 22 -7.811 18.683 -12.073 317 HG3 ARG 22 2HG ARG 22 -7.655 17.838 -13.625 318 HD2 ARG 22 1HD ARG 22 -8.123 16.416 -10.989 319 HD3 ARG 22 2HD ARG 22 -9.434 16.941 -12.063 320 HE ARG 22 HE ARG 22 -7.695 15.480 -13.687 321 HH11 ARG 22 1HH1 ARG 22 -9.594 14.750 -10.786 322 HH12 ARG 22 2HH1 ARG 22 -9.800 13.073 -11.247 323 HH21 ARG 22 1HH2 ARG 22 -8.065 13.335 -14.204 324 HH22 ARG 22 2HH2 ARG 22 -8.966 12.312 -13.112 325 H GLY 23 H GLY 23 -3.120 17.424 -14.059 326 HA2 GLY 23 1HA GLY 23 -0.895 17.044 -13.536 327 HA3 GLY 23 2HA GLY 23 -1.056 18.157 -12.162 328 H PHE 24 H PHE 24 0.475 16.133 -11.562 329 HA PHE 24 HA PHE 24 -1.041 14.543 -9.643 330 HB2 PHE 24 1HB PHE 24 -0.362 12.376 -10.558 331 HB3 PHE 24 2HB PHE 24 -1.391 13.235 -11.696 332 HD1 PHE 24 HD2 PHE 24 -0.522 14.118 -13.789 333 HD2 PHE 24 HD1 PHE 24 1.975 11.989 -11.021 334 HE1 PHE 24 HE2 PHE 24 1.188 13.841 -15.544 335 HE2 PHE 24 HE1 PHE 24 3.668 11.683 -12.765 336 HZ PHE 24 HZ PHE 24 3.294 12.633 -15.061 337 H PHE 25 H PHE 25 0.679 12.889 -8.701 338 HA PHE 25 HA PHE 25 3.341 14.247 -8.632 339 HB2 PHE 25 1HB PHE 25 3.376 13.754 -6.175 340 HB3 PHE 25 2HB PHE 25 2.186 14.970 -6.648 341 HD1 PHE 25 HD2 PHE 25 2.616 11.456 -5.514 342 HD2 PHE 25 HD1 PHE 25 -0.180 14.608 -6.395 343 HE1 PHE 25 HE2 PHE 25 0.799 10.143 -4.430 344 HE2 PHE 25 HE1 PHE 25 -2.005 13.304 -5.330 345 HZ PHE 25 HZ PHE 25 -1.514 11.059 -4.337 346 H TYR 26 H TYR 26 5.035 12.806 -7.761 347 HA TYR 26 HA TYR 26 4.468 9.899 -8.017 348 HB2 TYR 26 1HB TYR 26 5.170 10.588 -10.267 349 HB3 TYR 26 2HB TYR 26 6.578 11.426 -9.596 350 HD1 TYR 26 HD2 TYR 26 4.988 8.023 -9.805 351 HD2 TYR 26 HD1 TYR 26 8.627 10.266 -9.308 352 HE1 TYR 26 HE2 TYR 26 6.312 5.918 -9.896 353 HE2 TYR 26 HE1 TYR 26 9.940 8.151 -9.431 354 HH TYR 26 HH TYR 26 9.872 5.883 -9.622 355 H THR 27 H THR 27 5.748 8.728 -6.623 356 HA THR 27 HA THR 27 7.549 10.348 -4.883 357 HB THR 27 HB THR 27 7.063 8.630 -3.144 358 HG1 THR 27 HG1 THR 27 6.515 6.981 -4.719 359 HG21 THR 27 1HG2 THR 27 4.808 9.360 -2.644 360 HG22 THR 27 2HG2 THR 27 4.494 9.761 -4.346 361 HG23 THR 27 3HG2 THR 27 5.654 10.726 -3.402 362 HA PRO 28 HA PRO 28 10.354 7.370 -6.857 363 HB2 PRO 28 1HB PRO 28 12.662 8.807 -6.721 364 HB3 PRO 28 2HB PRO 28 11.410 9.153 -7.957 365 HG2 PRO 28 1HG PRO 28 11.885 10.496 -5.313 366 HG3 PRO 28 2HG PRO 28 11.681 11.238 -6.931 367 HD2 PRO 28 1HD PRO 28 9.636 11.037 -5.152 368 HD3 PRO 28 2HD PRO 28 9.365 10.889 -6.920 369 H LYS 29 H LYS 29 11.974 5.986 -5.938 370 HA LYS 29 HA LYS 29 12.021 6.066 -2.990 371 HB2 LYS 29 1HB LYS 29 13.255 3.877 -3.237 372 HB3 LYS 29 2HB LYS 29 11.587 3.893 -3.800 373 HG2 LYS 29 1HG LYS 29 12.154 3.568 -6.008 374 HG3 LYS 29 2HG LYS 29 13.714 4.386 -5.867 375 HD2 LYS 29 1HD LYS 29 13.465 1.891 -4.258 376 HD3 LYS 29 2HD LYS 29 13.384 1.667 -6.012 377 HE2 LYS 29 1HE LYS 29 15.688 1.423 -5.392 378 HE3 LYS 29 2HE LYS 29 15.535 2.969 -6.236 379 HZ1 LYS 29 3HZ LYS 29 15.631 4.105 -4.113 380 HZ2 LYS 29 1HZ LYS 29 16.944 3.120 -4.262 381 HZ3 LYS 29 2HZ LYS 29 15.693 2.675 -3.284 382 H THR 30 H THR 30 13.308 7.935 -2.680 383 HA THR 30 HA THR 30 15.999 8.007 -3.808 384 HB THR 30 HB THR 30 16.315 9.971 -2.243 385 HG1 THR 30 HG1 THR 30 14.302 10.594 -1.153 386 HG21 THR 30 1HG2 THR 30 15.223 10.261 -4.539 387 HG22 THR 30 2HG2 THR 30 14.639 11.432 -3.349 388 HG23 THR 30 3HG2 THR 30 13.633 10.038 -3.780 389 HXT THR 30 H02 THR 30 15.154 8.107 -0.616 Start of MODEL 35 1 H1 GLY 1 3H0 GLY 1 2.238 -0.707 -0.649 2 H2 GLY 1 2H0 GLY 1 3.560 -1.195 -1.509 3 H3 GLY 1 1H0 GLY 1 3.740 -0.636 0.031 4 HA2 GLY 1 1HA GLY 1 3.041 1.564 -0.604 5 HA3 GLY 1 2HA GLY 1 4.448 1.032 -1.545 6 H ILE 2 H ILE 2 2.223 3.021 -2.198 7 HA ILE 2 HA ILE 2 0.377 1.801 -3.949 8 HB ILE 2 HB ILE 2 0.249 4.112 -2.888 9 HG12 ILE 2 1HG1 ILE 2 -0.379 3.925 -5.848 10 HG13 ILE 2 2HG1 ILE 2 -1.335 3.187 -4.568 11 HG21 ILE 2 1HG2 ILE 2 1.841 5.026 -5.336 12 HG22 ILE 2 2HG2 ILE 2 1.187 6.041 -4.034 13 HG23 ILE 2 3HG2 ILE 2 2.517 4.922 -3.690 14 HD11 ILE 2 3HD1 ILE 2 -0.926 6.173 -5.052 15 HD12 ILE 2 1HD1 ILE 2 -2.420 5.239 -5.259 16 HD13 ILE 2 2HD1 ILE 2 -1.759 5.495 -3.629 17 H VAL 3 H VAL 3 3.692 2.862 -4.677 18 HA VAL 3 HA VAL 3 3.419 2.952 -7.497 19 HB VAL 3 HB VAL 3 5.868 2.098 -5.873 20 HG11 VAL 3 1HG1 VAL 3 5.609 3.216 -8.705 21 HG12 VAL 3 2HG1 VAL 3 7.148 2.999 -7.833 22 HG13 VAL 3 3HG1 VAL 3 6.160 1.589 -8.252 23 HG21 VAL 3 3HG2 VAL 3 4.896 4.868 -6.728 24 HG22 VAL 3 1HG2 VAL 3 5.094 4.266 -5.066 25 HG23 VAL 3 2HG2 VAL 3 6.519 4.530 -6.083 26 H GLU 4 H GLU 4 3.839 0.220 -5.293 27 HA GLU 4 HA GLU 4 4.590 -1.708 -7.285 28 HB2 GLU 4 1HB GLU 4 3.347 -2.017 -4.532 29 HB3 GLU 4 2HB GLU 4 3.956 -3.358 -5.506 30 HG2 GLU 4 1HG GLU 4 6.205 -2.595 -5.342 31 HG3 GLU 4 2HG GLU 4 5.709 -1.019 -4.708 32 HE2 GLU 4 HE2 GLU 4 6.303 -4.007 -2.306 33 H GLN 5 H GLN 5 1.506 -0.500 -6.072 34 HA GLN 5 HA GLN 5 -0.229 -2.578 -6.872 35 HB2 GLN 5 1HB GLN 5 -0.818 -0.566 -5.509 36 HB3 GLN 5 2HB GLN 5 -0.615 0.435 -6.941 37 HG2 GLN 5 1HG GLN 5 -2.490 -0.828 -8.024 38 HG3 GLN 5 2HG GLN 5 -2.780 -1.604 -6.456 39 HE21 GLN 5 2HE2 GLN 5 -2.470 1.565 -8.059 40 HE22 GLN 5 1HE2 GLN 5 -3.553 2.408 -6.978 41 H CYS 6 H CYS 6 1.197 0.117 -8.716 42 HA CYS 6 HA CYS 6 -0.256 -0.823 -11.138 43 HB2 CYS 6 1HB CYS 6 1.415 1.645 -10.587 44 HB3 CYS 6 2HB CYS 6 0.698 1.249 -12.151 45 H CYS 7 H CYS 7 2.926 -0.954 -9.710 46 HA CYS 7 HA CYS 7 4.208 -1.363 -12.313 47 HB2 CYS 7 1HB CYS 7 5.320 -0.090 -10.543 48 HB3 CYS 7 2HB CYS 7 5.312 -1.510 -9.495 49 H THR 8 H THR 8 3.565 -3.431 -9.395 50 HA THR 8 HA THR 8 4.806 -5.681 -10.826 51 HB THR 8 HB THR 8 4.913 -5.203 -8.241 52 HG1 THR 8 HG1 THR 8 4.388 -7.772 -9.351 53 HG21 THR 8 1HG2 THR 8 3.272 -6.284 -6.879 54 HG22 THR 8 2HG2 THR 8 2.452 -6.991 -8.283 55 HG23 THR 8 3HG2 THR 8 2.355 -5.244 -7.983 56 H SER 9 H SER 9 1.680 -4.294 -10.528 57 HA SER 9 HA SER 9 0.580 -6.575 -12.046 58 HB2 SER 9 1HB SER 9 -1.475 -6.527 -10.506 59 HB3 SER 9 2HB SER 9 -0.004 -7.147 -9.731 60 HG SER 9 HG SER 9 -0.969 -4.467 -9.515 61 H ILE 10 H ILE 10 -1.932 -5.853 -12.517 62 HA ILE 10 HA ILE 10 -1.501 -3.279 -13.927 63 HB ILE 10 HB ILE 10 -3.870 -5.212 -14.086 64 HG12 ILE 10 1HG1 ILE 10 -1.748 -6.289 -14.837 65 HG13 ILE 10 2HG1 ILE 10 -2.986 -6.161 -16.076 66 HG21 ILE 10 1HG2 ILE 10 -4.458 -2.939 -14.826 67 HG22 ILE 10 2HG2 ILE 10 -3.040 -2.888 -15.904 68 HG23 ILE 10 3HG2 ILE 10 -4.380 -4.021 -16.223 69 HD11 ILE 10 3HD1 ILE 10 -0.696 -4.181 -15.878 70 HD12 ILE 10 1HD1 ILE 10 -0.626 -5.673 -16.839 71 HD13 ILE 10 2HD1 ILE 10 -1.821 -4.429 -17.228 72 H CYS 11 H CYS 11 -2.466 -1.416 -13.252 73 HA CYS 11 HA CYS 11 -4.639 -1.657 -11.213 74 HB2 CYS 11 1HB CYS 11 -3.952 0.472 -10.327 75 HB3 CYS 11 2HB CYS 11 -2.545 -0.592 -10.360 76 H SER 12 H SER 12 -6.415 -0.167 -11.561 77 HA SER 12 HA SER 12 -6.860 0.250 -14.444 78 HB2 SER 12 1HB SER 12 -9.157 0.701 -13.817 79 HB3 SER 12 2HB SER 12 -8.604 -0.743 -12.942 80 HG SER 12 HG SER 12 -9.527 0.471 -11.403 81 H LEU 13 H LEU 13 -7.975 2.368 -15.102 82 HA LEU 13 HA LEU 13 -6.242 4.549 -14.523 83 HB2 LEU 13 1HB LEU 13 -7.674 5.875 -15.877 84 HB3 LEU 13 2HB LEU 13 -7.552 4.280 -16.600 85 HG LEU 13 HG LEU 13 -9.862 3.971 -15.192 86 HD11 LEU 13 1HD1 LEU 13 -9.906 6.299 -14.387 87 HD12 LEU 13 2HD1 LEU 13 -11.224 6.021 -15.534 88 HD13 LEU 13 3HD1 LEU 13 -9.769 6.900 -16.057 89 HD21 LEU 13 3HD2 LEU 13 -9.571 5.197 -17.960 90 HD22 LEU 13 1HD2 LEU 13 -11.008 4.357 -17.331 91 HD23 LEU 13 2HD2 LEU 13 -9.495 3.460 -17.566 92 H TYR 14 H TYR 14 -9.203 3.441 -12.981 93 HA TYR 14 HA TYR 14 -9.799 5.873 -11.591 94 HB2 TYR 14 1HB TYR 14 -10.391 3.050 -10.675 95 HB3 TYR 14 2HB TYR 14 -11.300 4.518 -10.305 96 HD1 TYR 14 HD2 TYR 14 -12.330 5.775 -12.420 97 HD2 TYR 14 HD1 TYR 14 -11.066 1.660 -12.432 98 HE1 TYR 14 HE2 TYR 14 -13.741 5.339 -14.434 99 HE2 TYR 14 HE1 TYR 14 -12.463 1.241 -14.464 100 HH TYR 14 HH TYR 14 -14.465 3.786 -15.954 101 H GLN 15 H GLN 15 -7.775 3.050 -10.896 102 HA GLN 15 HA GLN 15 -7.094 3.826 -8.195 103 HB2 GLN 15 1HB GLN 15 -5.651 2.056 -10.179 104 HB3 GLN 15 2HB GLN 15 -5.267 2.237 -8.466 105 HG2 GLN 15 1HG GLN 15 -7.816 1.653 -8.163 106 HG3 GLN 15 2HG GLN 15 -7.595 0.885 -9.743 107 HE21 GLN 15 2HE2 GLN 15 -7.272 0.585 -6.427 108 HE22 GLN 15 1HE2 GLN 15 -6.206 -0.784 -6.390 109 H LEU 16 H LEU 16 -5.810 4.514 -11.431 110 HA LEU 16 HA LEU 16 -3.408 5.809 -10.558 111 HB2 LEU 16 1HB LEU 16 -5.008 5.944 -13.105 112 HB3 LEU 16 2HB LEU 16 -3.573 6.926 -12.860 113 HG LEU 16 HG LEU 16 -3.586 3.896 -12.659 114 HD11 LEU 16 1HD1 LEU 16 -4.159 4.578 -14.942 115 HD12 LEU 16 2HD1 LEU 16 -2.524 3.903 -14.875 116 HD13 LEU 16 3HD1 LEU 16 -2.753 5.665 -14.986 117 HD21 LEU 16 3HD2 LEU 16 -1.725 4.946 -11.459 118 HD22 LEU 16 1HD2 LEU 16 -1.328 5.929 -12.886 119 HD23 LEU 16 2HD2 LEU 16 -1.132 4.163 -12.930 120 H GLU 17 H GLU 17 -6.749 6.989 -10.939 121 HA GLU 17 HA GLU 17 -6.194 9.776 -10.830 122 HB2 GLU 17 1HB GLU 17 -8.522 8.172 -9.721 123 HB3 GLU 17 2HB GLU 17 -8.474 9.932 -9.734 124 HG2 GLU 17 1HG GLU 17 -8.419 9.984 -12.144 125 HG3 GLU 17 2HG GLU 17 -8.255 8.229 -12.222 126 HE2 GLU 17 HE2 GLU 17 -10.220 10.336 -10.479 127 H ASN 18 H ASN 18 -6.149 7.354 -8.251 128 HA ASN 18 HA ASN 18 -6.325 9.115 -6.029 129 HB2 ASN 18 1HB ASN 18 -4.874 6.456 -6.288 130 HB3 ASN 18 2HB ASN 18 -5.197 7.290 -4.765 131 HD21 ASN 18 2HD2 ASN 18 -6.095 4.662 -5.837 132 HD22 ASN 18 1HD2 ASN 18 -7.837 4.713 -5.692 133 H TYR 19 H TYR 19 -3.643 8.497 -8.198 134 HA TYR 19 HA TYR 19 -1.518 9.267 -6.394 135 HB2 TYR 19 1HB TYR 19 -1.788 9.194 -9.391 136 HB3 TYR 19 2HB TYR 19 -0.297 9.688 -8.612 137 HD1 TYR 19 HD2 TYR 19 -2.705 6.797 -8.806 138 HD2 TYR 19 HD1 TYR 19 1.310 8.077 -7.964 139 HE1 TYR 19 HE2 TYR 19 -1.976 4.435 -8.718 140 HE2 TYR 19 HE1 TYR 19 2.027 5.688 -7.860 141 HH TYR 19 HH TYR 19 1.340 3.470 -7.972 142 H CYS 20 H CYS 20 -3.901 11.033 -8.275 143 HA CYS 20 HA CYS 20 -2.379 13.555 -8.216 144 HB2 CYS 20 1HB CYS 20 -5.285 13.058 -8.954 145 HB3 CYS 20 2HB CYS 20 -4.324 14.492 -9.329 146 H ASN 21 H ASN 21 -2.466 12.774 -5.680 147 HA ASN 21 HA ASN 21 -4.811 13.427 -4.159 148 HB2 ASN 21 1HB ASN 21 -2.949 12.044 -3.245 149 HB3 ASN 21 2HB ASN 21 -1.876 13.443 -3.291 150 HD21 ASN 21 2HD2 ASN 21 -2.184 15.188 -1.845 151 HD22 ASN 21 1HD2 ASN 21 -3.131 14.962 -0.396 152 HXT ASN 21 H02 ASN 21 -4.870 16.716 -3.924 153 H1 PHE 1 3H0 PHE 1 -8.719 4.202 -22.235 154 H2 PHE 1 2H0 PHE 1 -8.181 3.205 -23.435 155 H3 PHE 1 1H0 PHE 1 -9.072 2.591 -22.192 156 HA PHE 1 HA PHE 1 -6.368 3.742 -21.971 157 HB2 PHE 1 1HB PHE 1 -7.915 4.136 -20.017 158 HB3 PHE 1 2HB PHE 1 -8.084 2.384 -19.855 159 HD1 PHE 1 HD1 PHE 1 -5.725 5.248 -19.566 160 HD2 PHE 1 HD2 PHE 1 -6.337 1.044 -18.839 161 HE1 PHE 1 HE1 PHE 1 -3.674 5.195 -18.157 162 HE2 PHE 1 HE2 PHE 1 -4.292 0.989 -17.421 163 HZ PHE 1 HZ PHE 1 -2.944 3.059 -17.098 164 H VAL 2 H VAL 2 -4.669 2.203 -21.917 165 HA VAL 2 HA VAL 2 -5.520 -0.572 -22.662 166 HB VAL 2 HB VAL 2 -2.888 0.893 -23.229 167 HG11 VAL 2 1HG1 VAL 2 -3.872 -1.861 -24.120 168 HG12 VAL 2 2HG1 VAL 2 -2.390 -1.065 -24.695 169 HG13 VAL 2 3HG1 VAL 2 -2.533 -1.534 -22.991 170 HG21 VAL 2 3HG2 VAL 2 -5.212 0.187 -25.080 171 HG22 VAL 2 1HG2 VAL 2 -4.678 1.822 -24.615 172 HG23 VAL 2 2HG2 VAL 2 -3.632 0.803 -25.620 173 H ASN 3 H ASN 3 -4.935 -2.206 -21.272 174 HA ASN 3 HA ASN 3 -3.693 -1.460 -18.755 175 HB2 ASN 3 1HB ASN 3 -3.696 -3.932 -18.315 176 HB3 ASN 3 2HB ASN 3 -5.303 -3.222 -18.598 177 HD21 ASN 3 2HD2 ASN 3 -6.404 -3.716 -20.553 178 HD22 ASN 3 1HD2 ASN 3 -5.929 -5.096 -21.516 179 H GLN 4 H GLN 4 -1.677 -1.463 -18.210 180 HA GLN 4 HA GLN 4 0.224 -3.388 -19.254 181 HB2 GLN 4 1HB GLN 4 1.854 -1.600 -19.989 182 HB3 GLN 4 2HB GLN 4 0.474 -1.800 -21.074 183 HG2 GLN 4 1HG GLN 4 -0.615 0.172 -20.001 184 HG3 GLN 4 2HG GLN 4 0.840 0.408 -19.038 185 HE21 GLN 4 2HE2 GLN 4 -0.511 0.447 -22.274 186 HE22 GLN 4 1HE2 GLN 4 0.742 1.444 -22.979 187 H HIS 5 H HIS 5 1.844 -3.561 -17.711 188 HA HIS 5 HA HIS 5 1.416 -2.371 -15.120 189 HB2 HIS 5 1HB HIS 5 3.917 -3.666 -16.286 190 HB3 HIS 5 2HB HIS 5 3.682 -3.245 -14.589 191 HD1 HIS 5 HD1 HIS 5 1.021 -4.344 -13.826 192 HD2 HIS 5 HD2 HIS 5 3.549 -6.364 -16.418 193 HE1 HIS 5 HE1 HIS 5 0.301 -6.806 -13.855 194 HE2 HIS 5 HE2 HIS 5 1.877 -8.000 -15.403 195 H LEU 6 H LEU 6 2.389 -0.642 -14.137 196 HA LEU 6 HA LEU 6 3.851 1.243 -15.956 197 HB2 LEU 6 1HB LEU 6 1.844 1.687 -13.747 198 HB3 LEU 6 2HB LEU 6 2.875 2.938 -14.348 199 HG LEU 6 HG LEU 6 1.142 3.544 -15.503 200 HD11 LEU 6 1HD1 LEU 6 0.833 2.600 -17.730 201 HD12 LEU 6 2HD1 LEU 6 1.781 1.174 -17.265 202 HD13 LEU 6 3HD1 LEU 6 2.548 2.777 -17.329 203 HD21 LEU 6 3HD2 LEU 6 -0.812 2.093 -16.028 204 HD22 LEU 6 1HD2 LEU 6 -0.388 2.118 -14.306 205 HD23 LEU 6 2HD2 LEU 6 0.062 0.721 -15.309 206 H CYS 7 H CYS 7 5.917 1.180 -15.384 207 HA CYS 7 HA CYS 7 6.560 1.603 -12.493 208 HB2 CYS 7 1HB CYS 7 8.237 0.073 -14.511 209 HB3 CYS 7 2HB CYS 7 8.568 0.256 -12.785 210 H GLY 8 H GLY 8 8.313 3.089 -12.133 211 HA2 GLY 8 1HA GLY 8 9.634 4.915 -12.637 212 HA3 GLY 8 2HA GLY 8 10.027 4.056 -14.133 213 H SER 9 H SER 9 10.012 5.628 -15.629 214 HA SER 9 HA SER 9 8.293 7.852 -15.715 215 HB2 SER 9 1HB SER 9 9.135 6.876 -18.337 216 HB3 SER 9 2HB SER 9 9.610 8.352 -17.464 217 HG SER 9 HG SER 9 11.420 7.060 -17.632 218 H HIS 10 H HIS 10 7.662 4.529 -16.804 219 HA HIS 10 HA HIS 10 5.541 5.193 -18.637 220 HB2 HIS 10 1HB HIS 10 6.579 2.782 -17.339 221 HB3 HIS 10 2HB HIS 10 4.822 2.759 -17.465 222 HD1 HIS 10 HD1 HIS 10 3.781 2.328 -19.795 223 HD2 HIS 10 HD2 HIS 10 7.946 2.905 -19.880 224 HE1 HIS 10 HE1 HIS 10 4.565 1.735 -22.132 225 HE2 HIS 10 HE2 HIS 10 7.073 2.086 -22.173 226 H LEU 11 H LEU 11 5.683 4.906 -15.103 227 HA LEU 11 HA LEU 11 2.812 4.962 -14.736 228 HB2 LEU 11 1HB LEU 11 4.460 4.112 -13.078 229 HB3 LEU 11 2HB LEU 11 5.069 5.741 -12.861 230 HG LEU 11 HG LEU 11 3.140 6.440 -11.685 231 HD11 LEU 11 1HD1 LEU 11 1.172 5.020 -11.285 232 HD12 LEU 11 2HD1 LEU 11 1.820 3.795 -12.396 233 HD13 LEU 11 3HD1 LEU 11 1.349 5.402 -13.005 234 HD21 LEU 11 3HD2 LEU 11 3.758 3.568 -10.863 235 HD22 LEU 11 1HD2 LEU 11 3.154 4.872 -9.814 236 HD23 LEU 11 2HD2 LEU 11 4.785 4.977 -10.509 237 H VAL 12 H VAL 12 5.389 7.411 -14.819 238 HA VAL 12 HA VAL 12 3.765 9.638 -14.108 239 HB VAL 12 HB VAL 12 6.228 9.536 -15.923 240 HG11 VAL 12 1HG1 VAL 12 5.025 11.857 -14.369 241 HG12 VAL 12 2HG1 VAL 12 6.555 11.892 -15.276 242 HG13 VAL 12 3HG1 VAL 12 5.024 11.664 -16.138 243 HG21 VAL 12 3HG2 VAL 12 7.475 10.145 -13.840 244 HG22 VAL 12 1HG2 VAL 12 5.975 9.923 -12.910 245 HG23 VAL 12 2HG2 VAL 12 6.725 8.542 -13.743 246 H GLU 13 H GLU 13 4.583 8.229 -17.323 247 HA GLU 13 HA GLU 13 3.065 10.213 -18.752 248 HB2 GLU 13 1HB GLU 13 3.982 7.448 -19.586 249 HB3 GLU 13 2HB GLU 13 3.266 8.654 -20.663 250 HG2 GLU 13 1HG GLU 13 5.896 8.866 -19.165 251 HG3 GLU 13 2HG GLU 13 5.665 8.757 -20.913 252 HE2 GLU 13 HE2 GLU 13 4.435 12.056 -21.005 253 H ALA 14 H ALA 14 2.160 7.184 -17.219 254 HA ALA 14 HA ALA 14 -0.391 6.977 -18.575 255 HB1 ALA 14 3HB ALA 14 -0.961 5.425 -16.764 256 HB2 ALA 14 1HB ALA 14 0.671 5.085 -17.385 257 HB3 ALA 14 2HB ALA 14 0.469 5.947 -15.842 258 H LEU 15 H LEU 15 0.781 8.485 -15.551 259 HA LEU 15 HA LEU 15 -1.788 9.359 -14.652 260 HB2 LEU 15 1HB LEU 15 1.026 10.321 -14.111 261 HB3 LEU 15 2HB LEU 15 -0.387 11.023 -13.329 262 HG LEU 15 HG LEU 15 0.366 8.095 -13.103 263 HD11 LEU 15 1HD1 LEU 15 1.189 8.610 -10.875 264 HD12 LEU 15 2HD1 LEU 15 0.832 10.336 -11.110 265 HD13 LEU 15 3HD1 LEU 15 2.093 9.542 -12.084 266 HD21 LEU 15 3HD2 LEU 15 -1.219 8.121 -11.260 267 HD22 LEU 15 1HD2 LEU 15 -2.001 8.573 -12.773 268 HD23 LEU 15 2HD2 LEU 15 -1.585 9.830 -11.589 269 H TYR 16 H TYR 16 0.583 10.824 -16.848 270 HA TYR 16 HA TYR 16 -0.527 13.421 -17.060 271 HB2 TYR 16 1HB TYR 16 1.006 11.594 -18.865 272 HB3 TYR 16 2HB TYR 16 0.114 12.895 -19.644 273 HD1 TYR 16 HD2 TYR 16 0.526 15.322 -18.793 274 HD2 TYR 16 HD1 TYR 16 3.161 12.025 -17.956 275 HE1 TYR 16 HE2 TYR 16 2.385 16.916 -18.298 276 HE2 TYR 16 HE1 TYR 16 5.013 13.616 -17.500 277 HH TYR 16 HH TYR 16 5.652 15.808 -17.384 278 H LEU 17 H LEU 17 -1.466 10.372 -18.699 279 HA LEU 17 HA LEU 17 -3.517 11.656 -20.270 280 HB2 LEU 17 1HB LEU 17 -3.165 8.755 -19.466 281 HB3 LEU 17 2HB LEU 17 -4.295 9.355 -20.670 282 HG LEU 17 HG LEU 17 -1.275 9.603 -20.893 283 HD11 LEU 17 1HD1 LEU 17 -1.983 7.247 -20.874 284 HD12 LEU 17 2HD1 LEU 17 -1.427 7.737 -22.488 285 HD13 LEU 17 3HD1 LEU 17 -3.170 7.585 -22.161 286 HD21 LEU 17 3HD2 LEU 17 -2.453 11.280 -22.230 287 HD22 LEU 17 1HD2 LEU 17 -3.507 10.026 -22.927 288 HD23 LEU 17 2HD2 LEU 17 -1.765 10.039 -23.291 289 H VAL 18 H VAL 18 -3.569 9.837 -17.195 290 HA VAL 18 HA VAL 18 -6.449 9.685 -17.134 291 HB VAL 18 HB VAL 18 -4.367 9.309 -14.931 292 HG11 VAL 18 1HG1 VAL 18 -6.519 9.797 -13.889 293 HG12 VAL 18 2HG1 VAL 18 -7.340 8.629 -14.955 294 HG13 VAL 18 3HG1 VAL 18 -6.171 8.067 -13.736 295 HG21 VAL 18 3HG2 VAL 18 -4.825 6.906 -15.347 296 HG22 VAL 18 1HG2 VAL 18 -5.891 7.353 -16.692 297 HG23 VAL 18 2HG2 VAL 18 -4.158 7.717 -16.766 298 H CYS 19 H CYS 19 -4.090 11.851 -15.506 299 HA CYS 19 HA CYS 19 -6.395 13.300 -14.363 300 HB2 CYS 19 1HB CYS 19 -3.541 13.131 -13.746 301 HB3 CYS 19 2HB CYS 19 -4.211 14.777 -13.639 302 H GLY 20 H GLY 20 -4.437 13.454 -17.210 303 HA2 GLY 20 1HA GLY 20 -4.656 14.882 -18.991 304 HA3 GLY 20 2HA GLY 20 -6.137 15.487 -18.238 305 H GLU 21 H GLU 21 -5.765 17.573 -18.894 306 HA GLU 21 HA GLU 21 -3.333 19.006 -18.417 307 HB2 GLU 21 1HB GLU 21 -6.159 20.035 -18.865 308 HB3 GLU 21 2HB GLU 21 -4.682 21.001 -18.970 309 HG2 GLU 21 1HG GLU 21 -5.429 18.670 -20.781 310 HG3 GLU 21 2HG GLU 21 -5.483 20.386 -21.199 311 HE2 GLU 21 HE2 GLU 21 -4.034 18.016 -21.984 312 H ARG 22 H ARG 22 -5.594 17.972 -16.129 313 HA ARG 22 HA ARG 22 -5.634 20.314 -14.406 314 HB2 ARG 22 1HB ARG 22 -6.068 17.364 -13.810 315 HB3 ARG 22 2HB ARG 22 -6.367 18.676 -12.668 316 HG2 ARG 22 1HG ARG 22 -8.114 19.594 -14.077 317 HG3 ARG 22 2HG ARG 22 -7.780 18.399 -15.346 318 HD2 ARG 22 1HD ARG 22 -8.644 17.664 -12.527 319 HD3 ARG 22 2HD ARG 22 -9.769 17.883 -13.884 320 HE ARG 22 HE ARG 22 -7.712 16.059 -14.663 321 HH11 ARG 22 1HH1 ARG 22 -10.530 16.155 -12.529 322 HH12 ARG 22 2HH1 ARG 22 -10.816 14.443 -12.677 323 HH21 ARG 22 1HH2 ARG 22 -8.157 13.886 -14.821 324 HH22 ARG 22 2HH2 ARG 22 -9.494 13.184 -13.954 325 H GLY 23 H GLY 23 -3.329 17.828 -15.126 326 HA2 GLY 23 1HA GLY 23 -1.106 17.775 -14.418 327 HA3 GLY 23 2HA GLY 23 -1.461 19.008 -13.195 328 H PHE 24 H PHE 24 0.117 17.040 -12.399 329 HA PHE 24 HA PHE 24 -1.349 15.681 -10.301 330 HB2 PHE 24 1HB PHE 24 -0.847 13.410 -10.966 331 HB3 PHE 24 2HB PHE 24 -1.767 14.156 -12.276 332 HD1 PHE 24 HD2 PHE 24 -0.552 14.958 -14.339 333 HD2 PHE 24 HD1 PHE 24 1.341 12.576 -11.316 334 HE1 PHE 24 HE2 PHE 24 1.267 14.401 -15.922 335 HE2 PHE 24 HE1 PHE 24 3.148 11.973 -12.904 336 HZ PHE 24 HZ PHE 24 3.119 12.901 -15.223 337 H PHE 25 H PHE 25 0.486 14.169 -9.220 338 HA PHE 25 HA PHE 25 3.190 15.141 -9.925 339 HB2 PHE 25 1HB PHE 25 3.821 15.559 -7.655 340 HB3 PHE 25 2HB PHE 25 2.362 16.505 -7.960 341 HD1 PHE 25 HD2 PHE 25 0.169 15.761 -6.987 342 HD2 PHE 25 HD1 PHE 25 3.875 13.795 -6.027 343 HE1 PHE 25 HE2 PHE 25 -0.913 14.681 -5.037 344 HE2 PHE 25 HE1 PHE 25 2.792 12.707 -4.066 345 HZ PHE 25 HZ PHE 25 0.389 13.132 -3.577 346 H TYR 26 H TYR 26 4.833 13.627 -8.957 347 HA TYR 26 HA TYR 26 3.741 10.994 -8.164 348 HB2 TYR 26 1HB TYR 26 3.957 10.740 -10.576 349 HB3 TYR 26 2HB TYR 26 5.568 11.475 -10.553 350 HD1 TYR 26 HD2 TYR 26 3.729 8.608 -8.905 351 HD2 TYR 26 HD1 TYR 26 7.419 10.038 -10.604 352 HE1 TYR 26 HE2 TYR 26 4.787 6.393 -8.492 353 HE2 TYR 26 HE1 TYR 26 8.453 7.799 -10.222 354 HH TYR 26 HH TYR 26 6.674 5.121 -8.677 355 H THR 27 H THR 27 5.164 9.921 -6.791 356 HA THR 27 HA THR 27 7.579 11.488 -6.037 357 HB THR 27 HB THR 27 7.374 10.207 -3.848 358 HG1 THR 27 HG1 THR 27 4.710 9.855 -4.086 359 HG21 THR 27 1HG2 THR 27 5.038 11.998 -4.633 360 HG22 THR 27 2HG2 THR 27 6.641 12.564 -4.110 361 HG23 THR 27 3HG2 THR 27 5.607 11.667 -2.980 362 HA PRO 28 HA PRO 28 9.361 7.704 -7.817 363 HB2 PRO 28 1HB PRO 28 11.856 8.689 -8.322 364 HB3 PRO 28 2HB PRO 28 10.465 9.042 -9.397 365 HG2 PRO 28 1HG PRO 28 11.595 10.709 -7.162 366 HG3 PRO 28 2HG PRO 28 11.252 11.182 -8.859 367 HD2 PRO 28 1HD PRO 28 9.503 11.709 -6.881 368 HD3 PRO 28 2HD PRO 28 8.928 11.193 -8.504 369 H LYS 29 H LYS 29 11.295 6.395 -7.086 370 HA LYS 29 HA LYS 29 11.957 7.013 -4.232 371 HB2 LYS 29 1HB LYS 29 11.434 4.313 -5.525 372 HB3 LYS 29 2HB LYS 29 11.967 4.551 -3.860 373 HG2 LYS 29 1HG LYS 29 9.348 5.761 -4.845 374 HG3 LYS 29 2HG LYS 29 9.449 4.070 -4.364 375 HD2 LYS 29 1HD LYS 29 8.748 5.042 -2.388 376 HD3 LYS 29 2HD LYS 29 10.493 4.964 -2.142 377 HE2 LYS 29 1HE LYS 29 9.642 7.115 -1.372 378 HE3 LYS 29 2HE LYS 29 10.682 7.364 -2.778 379 HZ1 LYS 29 3HZ LYS 29 8.666 8.687 -2.887 380 HZ2 LYS 29 1HZ LYS 29 7.720 7.338 -2.859 381 HZ3 LYS 29 2HZ LYS 29 8.716 7.629 -4.144 382 H THR 30 H THR 30 13.893 7.888 -4.516 383 HA THR 30 HA THR 30 15.931 6.478 -6.158 384 HB THR 30 HB THR 30 17.125 8.759 -5.790 385 HG1 THR 30 HG1 THR 30 15.733 10.411 -5.111 386 HG21 THR 30 1HG2 THR 30 15.918 8.145 -7.952 387 HG22 THR 30 2HG2 THR 30 15.800 9.870 -7.576 388 HG23 THR 30 3HG2 THR 30 14.415 8.809 -7.275 389 HXT THR 30 H02 THR 30 16.724 6.569 -2.408 Start of MODEL 36 1 H1 GLY 1 3H0 GLY 1 4.389 0.426 -1.409 2 H2 GLY 1 2H0 GLY 1 4.549 0.953 0.148 3 H3 GLY 1 1H0 GLY 1 3.061 0.547 -0.438 4 HA2 GLY 1 1HA GLY 1 3.305 2.936 -0.315 5 HA3 GLY 1 2HA GLY 1 4.715 2.792 -1.386 6 H ILE 2 H ILE 2 2.505 4.415 -2.121 7 HA ILE 2 HA ILE 2 0.486 3.017 -3.493 8 HB ILE 2 HB ILE 2 0.480 5.453 -2.815 9 HG12 ILE 2 1HG1 ILE 2 -0.288 4.903 -5.697 10 HG13 ILE 2 2HG1 ILE 2 -1.209 4.380 -4.293 11 HG21 ILE 2 1HG2 ILE 2 1.462 7.169 -4.224 12 HG22 ILE 2 2HG2 ILE 2 2.755 6.026 -3.819 13 HG23 ILE 2 3HG2 ILE 2 1.992 5.975 -5.425 14 HD11 ILE 2 3HD1 ILE 2 -0.699 7.263 -5.152 15 HD12 ILE 2 1HD1 ILE 2 -2.235 6.377 -5.227 16 HD13 ILE 2 2HD1 ILE 2 -1.528 6.788 -3.649 17 H VAL 3 H VAL 3 3.706 3.956 -4.682 18 HA VAL 3 HA VAL 3 3.238 3.517 -7.431 19 HB VAL 3 HB VAL 3 5.218 4.681 -6.659 20 HG11 VAL 3 1HG1 VAL 3 5.600 3.587 -4.511 21 HG12 VAL 3 2HG1 VAL 3 6.090 2.082 -5.329 22 HG13 VAL 3 3HG1 VAL 3 7.080 3.548 -5.480 23 HG21 VAL 3 3HG2 VAL 3 6.179 2.073 -7.903 24 HG22 VAL 3 1HG2 VAL 3 5.400 3.396 -8.801 25 HG23 VAL 3 2HG2 VAL 3 6.955 3.671 -7.994 26 H GLU 4 H GLU 4 3.653 1.132 -4.873 27 HA GLU 4 HA GLU 4 4.593 -1.003 -6.544 28 HB2 GLU 4 1HB GLU 4 3.380 -0.802 -3.807 29 HB3 GLU 4 2HB GLU 4 3.394 -2.373 -4.601 30 HG2 GLU 4 1HG GLU 4 5.339 -2.256 -3.225 31 HG3 GLU 4 2HG GLU 4 5.862 -2.161 -4.914 32 HE2 GLU 4 HE2 GLU 4 7.356 -0.989 -5.039 33 H GLN 5 H GLN 5 1.364 0.208 -5.724 34 HA GLN 5 HA GLN 5 -0.108 -2.077 -6.456 35 HB2 GLN 5 1HB GLN 5 -1.002 0.790 -6.901 36 HB3 GLN 5 2HB GLN 5 -2.015 -0.628 -6.612 37 HG2 GLN 5 1HG GLN 5 -0.256 0.868 -4.648 38 HG3 GLN 5 2HG GLN 5 -1.997 0.605 -4.572 39 HE21 GLN 5 2HE2 GLN 5 -2.614 -1.822 -4.458 40 HE22 GLN 5 1HE2 GLN 5 -1.642 -2.785 -3.373 41 H CYS 6 H CYS 6 1.328 0.445 -8.464 42 HA CYS 6 HA CYS 6 0.059 -0.809 -10.873 43 HB2 CYS 6 1HB CYS 6 1.545 1.792 -10.454 44 HB3 CYS 6 2HB CYS 6 1.153 1.152 -12.049 45 H CYS 7 H CYS 7 3.140 -0.460 -9.224 46 HA CYS 7 HA CYS 7 4.726 -1.112 -11.542 47 HB2 CYS 7 1HB CYS 7 5.465 0.137 -9.459 48 HB3 CYS 7 2HB CYS 7 5.494 -1.421 -8.626 49 H THR 8 H THR 8 3.622 -3.043 -8.690 50 HA THR 8 HA THR 8 4.970 -5.393 -9.839 51 HB THR 8 HB THR 8 4.900 -4.747 -7.313 52 HG1 THR 8 HG1 THR 8 4.330 -7.374 -8.259 53 HG21 THR 8 1HG2 THR 8 2.331 -4.648 -7.253 54 HG22 THR 8 2HG2 THR 8 3.116 -5.624 -5.995 55 HG23 THR 8 3HG2 THR 8 2.362 -6.420 -7.391 56 H SER 9 H SER 9 1.793 -4.032 -9.915 57 HA SER 9 HA SER 9 0.837 -6.520 -11.202 58 HB2 SER 9 1HB SER 9 -1.307 -6.316 -9.800 59 HB3 SER 9 2HB SER 9 0.136 -6.816 -8.892 60 HG SER 9 HG SER 9 -0.878 -4.148 -9.030 61 H ILE 10 H ILE 10 -1.606 -6.057 -11.931 62 HA ILE 10 HA ILE 10 -1.229 -3.806 -13.790 63 HB ILE 10 HB ILE 10 -3.586 -5.741 -13.489 64 HG12 ILE 10 1HG1 ILE 10 -1.491 -6.948 -14.021 65 HG13 ILE 10 2HG1 ILE 10 -2.705 -7.054 -15.288 66 HG21 ILE 10 1HG2 ILE 10 -4.122 -5.050 -15.851 67 HG22 ILE 10 2HG2 ILE 10 -4.272 -3.726 -14.688 68 HG23 ILE 10 3HG2 ILE 10 -2.844 -3.809 -15.746 69 HD11 ILE 10 3HD1 ILE 10 -0.366 -5.121 -15.394 70 HD12 ILE 10 1HD1 ILE 10 -0.361 -6.742 -16.119 71 HD13 ILE 10 2HD1 ILE 10 -1.503 -5.518 -16.698 72 H CYS 11 H CYS 11 -2.294 -1.859 -13.638 73 HA CYS 11 HA CYS 11 -4.475 -1.657 -11.630 74 HB2 CYS 11 1HB CYS 11 -3.654 0.443 -10.831 75 HB3 CYS 11 2HB CYS 11 -2.334 -0.723 -10.701 76 H SER 12 H SER 12 -5.958 0.095 -12.162 77 HA SER 12 HA SER 12 -6.102 0.470 -15.128 78 HB2 SER 12 1HB SER 12 -8.534 0.575 -14.777 79 HB3 SER 12 2HB SER 12 -7.871 -0.928 -14.097 80 HG SER 12 HG SER 12 -9.052 -0.196 -12.462 81 H LEU 13 H LEU 13 -7.552 2.472 -15.677 82 HA LEU 13 HA LEU 13 -6.214 4.792 -14.781 83 HB2 LEU 13 1HB LEU 13 -7.755 6.038 -16.065 84 HB3 LEU 13 2HB LEU 13 -7.450 4.535 -16.918 85 HG LEU 13 HG LEU 13 -9.726 3.852 -15.594 86 HD11 LEU 13 1HD1 LEU 13 -9.976 6.836 -16.212 87 HD12 LEU 13 2HD1 LEU 13 -10.008 6.106 -14.589 88 HD13 LEU 13 3HD1 LEU 13 -11.306 5.753 -15.744 89 HD21 LEU 13 3HD2 LEU 13 -9.283 3.606 -17.996 90 HD22 LEU 13 1HD2 LEU 13 -9.547 5.353 -18.234 91 HD23 LEU 13 2HD2 LEU 13 -10.889 4.307 -17.710 92 H TYR 14 H TYR 14 -9.033 3.161 -13.458 93 HA TYR 14 HA TYR 14 -9.973 5.359 -11.870 94 HB2 TYR 14 1HB TYR 14 -10.240 2.393 -11.288 95 HB3 TYR 14 2HB TYR 14 -11.314 3.695 -10.759 96 HD1 TYR 14 HD1 TYR 14 -12.538 5.043 -12.673 97 HD2 TYR 14 HD2 TYR 14 -10.685 1.206 -13.275 98 HE1 TYR 14 HE1 TYR 14 -13.878 4.713 -14.755 99 HE2 TYR 14 HE2 TYR 14 -12.016 0.894 -15.364 100 HH TYR 14 HH TYR 14 -14.359 3.317 -16.511 101 H GLN 15 H GLN 15 -7.619 2.758 -11.384 102 HA GLN 15 HA GLN 15 -7.121 3.397 -8.589 103 HB2 GLN 15 1HB GLN 15 -5.490 1.819 -10.589 104 HB3 GLN 15 2HB GLN 15 -5.222 1.901 -8.840 105 HG2 GLN 15 1HG GLN 15 -7.773 1.196 -8.772 106 HG3 GLN 15 2HG GLN 15 -7.393 0.533 -10.373 107 HE21 GLN 15 2HE2 GLN 15 -7.304 0.063 -7.049 108 HE22 GLN 15 1HE2 GLN 15 -6.219 -1.294 -7.022 109 H LEU 16 H LEU 16 -5.779 4.288 -11.746 110 HA LEU 16 HA LEU 16 -3.470 5.658 -10.789 111 HB2 LEU 16 1HB LEU 16 -5.079 5.911 -13.321 112 HB3 LEU 16 2HB LEU 16 -3.651 6.887 -13.013 113 HG LEU 16 HG LEU 16 -3.637 3.849 -13.025 114 HD11 LEU 16 1HD1 LEU 16 -4.198 4.691 -15.258 115 HD12 LEU 16 2HD1 LEU 16 -2.558 4.029 -15.225 116 HD13 LEU 16 3HD1 LEU 16 -2.800 5.790 -15.210 117 HD21 LEU 16 3HD2 LEU 16 -1.196 4.112 -13.235 118 HD22 LEU 16 1HD2 LEU 16 -1.789 4.839 -11.735 119 HD23 LEU 16 2HD2 LEU 16 -1.369 5.876 -13.118 120 H GLU 17 H GLU 17 -6.859 6.674 -11.051 121 HA GLU 17 HA GLU 17 -6.463 9.471 -10.754 122 HB2 GLU 17 1HB GLU 17 -8.690 7.682 -9.727 123 HB3 GLU 17 2HB GLU 17 -8.727 9.442 -9.654 124 HG2 GLU 17 1HG GLU 17 -8.124 8.805 -12.324 125 HG3 GLU 17 2HG GLU 17 -9.397 7.687 -11.835 126 HE2 GLU 17 HE2 GLU 17 -11.773 10.027 -11.945 127 H ASN 18 H ASN 18 -6.032 6.909 -8.373 128 HA ASN 18 HA ASN 18 -6.306 8.584 -6.040 129 HB2 ASN 18 1HB ASN 18 -4.803 5.982 -6.471 130 HB3 ASN 18 2HB ASN 18 -5.003 6.769 -4.901 131 HD21 ASN 18 2HD2 ASN 18 -6.184 4.411 -6.818 132 HD22 ASN 18 1HD2 ASN 18 -7.819 4.328 -6.192 133 H TYR 19 H TYR 19 -3.695 8.118 -8.336 134 HA TYR 19 HA TYR 19 -1.574 9.098 -6.578 135 HB2 TYR 19 1HB TYR 19 -1.811 8.890 -9.577 136 HB3 TYR 19 2HB TYR 19 -0.346 9.395 -8.742 137 HD1 TYR 19 HD2 TYR 19 -2.723 6.529 -9.133 138 HD2 TYR 19 HD1 TYR 19 1.194 7.776 -7.911 139 HE1 TYR 19 HE2 TYR 19 -2.035 4.169 -8.981 140 HE2 TYR 19 HE1 TYR 19 1.876 5.395 -7.735 141 HH TYR 19 HH TYR 19 0.971 3.135 -7.600 142 H CYS 20 H CYS 20 -4.083 10.390 -8.631 143 HA CYS 20 HA CYS 20 -2.918 13.000 -9.097 144 HB2 CYS 20 1HB CYS 20 -5.040 11.558 -10.133 145 HB3 CYS 20 2HB CYS 20 -5.867 12.723 -9.096 146 H ASN 21 H ASN 21 -2.935 14.715 -7.715 147 HA ASN 21 HA ASN 21 -4.858 14.815 -5.491 148 HB2 ASN 21 1HB ASN 21 -3.116 13.314 -4.581 149 HB3 ASN 21 2HB ASN 21 -1.865 14.504 -4.930 150 HD21 ASN 21 2HD2 ASN 21 -4.674 13.734 -2.966 151 HD22 ASN 21 1HD2 ASN 21 -4.363 14.938 -1.739 152 HXT ASN 21 H02 ASN 21 -1.894 16.175 -6.040 153 H1 PHE 1 3H0 PHE 1 -8.234 1.382 -23.256 154 H2 PHE 1 2H0 PHE 1 -7.801 2.972 -23.162 155 H3 PHE 1 1H0 PHE 1 -7.103 1.989 -24.287 156 HA PHE 1 HA PHE 1 -5.565 2.373 -22.498 157 HB2 PHE 1 1HB PHE 1 -7.687 2.588 -20.922 158 HB3 PHE 1 2HB PHE 1 -7.432 0.856 -20.679 159 HD1 PHE 1 HD1 PHE 1 -5.925 4.239 -20.273 160 HD2 PHE 1 HD2 PHE 1 -5.605 0.053 -19.291 161 HE1 PHE 1 HE1 PHE 1 -4.183 4.775 -18.578 162 HE2 PHE 1 HE2 PHE 1 -3.861 0.585 -17.592 163 HZ PHE 1 HZ PHE 1 -3.136 2.950 -17.250 164 H VAL 2 H VAL 2 -4.167 0.554 -21.632 165 HA VAL 2 HA VAL 2 -5.017 -2.128 -22.576 166 HB VAL 2 HB VAL 2 -3.719 -1.219 -24.475 167 HG11 VAL 2 1HG1 VAL 2 -1.339 -0.558 -24.228 168 HG12 VAL 2 2HG1 VAL 2 -2.432 0.536 -23.364 169 HG13 VAL 2 3HG1 VAL 2 -1.497 -0.675 -22.462 170 HG21 VAL 2 3HG2 VAL 2 -1.986 -2.931 -24.649 171 HG22 VAL 2 1HG2 VAL 2 -2.016 -3.194 -22.891 172 HG23 VAL 2 2HG2 VAL 2 -3.434 -3.614 -23.887 173 H ASN 3 H ASN 3 -4.292 -3.728 -21.169 174 HA ASN 3 HA ASN 3 -3.392 -2.740 -18.590 175 HB2 ASN 3 1HB ASN 3 -3.836 -5.544 -19.671 176 HB3 ASN 3 2HB ASN 3 -3.275 -5.197 -18.028 177 HD21 ASN 3 2HD2 ASN 3 -5.703 -6.560 -18.741 178 HD22 ASN 3 1HD2 ASN 3 -7.027 -5.586 -18.148 179 H GLN 4 H GLN 4 -1.429 -2.514 -17.896 180 HA GLN 4 HA GLN 4 0.631 -4.478 -18.484 181 HB2 GLN 4 1HB GLN 4 2.279 -2.804 -19.297 182 HB3 GLN 4 2HB GLN 4 0.967 -3.041 -20.454 183 HG2 GLN 4 1HG GLN 4 -0.112 -0.950 -19.624 184 HG3 GLN 4 2HG GLN 4 1.270 -0.700 -18.551 185 HE21 GLN 4 2HE2 GLN 4 0.464 -1.254 -21.976 186 HE22 GLN 4 1HE2 GLN 4 1.703 -0.197 -22.605 187 H HIS 5 H HIS 5 2.223 -4.264 -16.897 188 HA HIS 5 HA HIS 5 1.507 -2.816 -14.481 189 HB2 HIS 5 1HB HIS 5 4.214 -3.943 -15.329 190 HB3 HIS 5 2HB HIS 5 3.745 -3.449 -13.697 191 HD1 HIS 5 HD1 HIS 5 1.134 -4.811 -13.203 192 HD2 HIS 5 HD2 HIS 5 4.210 -6.669 -15.262 193 HE1 HIS 5 HE1 HIS 5 0.725 -7.342 -13.067 194 HE2 HIS 5 HE2 HIS 5 2.625 -8.436 -14.304 195 H LEU 6 H LEU 6 2.246 -0.797 -13.829 196 HA LEU 6 HA LEU 6 3.676 0.787 -15.942 197 HB2 LEU 6 1HB LEU 6 1.435 1.598 -14.065 198 HB3 LEU 6 2HB LEU 6 2.353 2.725 -15.051 199 HG LEU 6 HG LEU 6 0.713 0.469 -16.225 200 HD11 LEU 6 1HD1 LEU 6 -0.989 2.199 -16.685 201 HD12 LEU 6 2HD1 LEU 6 -0.050 3.360 -15.716 202 HD13 LEU 6 3HD1 LEU 6 -0.757 1.917 -14.951 203 HD21 LEU 6 3HD2 LEU 6 0.811 1.885 -18.273 204 HD22 LEU 6 1HD2 LEU 6 2.413 1.341 -17.752 205 HD23 LEU 6 2HD2 LEU 6 1.888 3.013 -17.422 206 H CYS 7 H CYS 7 5.664 1.155 -15.239 207 HA CYS 7 HA CYS 7 6.031 2.200 -12.498 208 HB2 CYS 7 1HB CYS 7 6.346 -0.433 -12.762 209 HB3 CYS 7 2HB CYS 7 7.895 0.039 -13.469 210 H GLY 8 H GLY 8 8.266 3.177 -12.348 211 HA2 GLY 8 1HA GLY 8 9.898 4.553 -13.255 212 HA3 GLY 8 2HA GLY 8 9.881 3.490 -14.681 213 H SER 9 H SER 9 9.962 5.082 -16.254 214 HA SER 9 HA SER 9 8.454 7.449 -16.266 215 HB2 SER 9 1HB SER 9 9.090 5.980 -18.812 216 HB3 SER 9 2HB SER 9 9.237 7.714 -18.438 217 HG SER 9 HG SER 9 11.289 6.892 -18.374 218 H HIS 10 H HIS 10 7.464 4.167 -17.242 219 HA HIS 10 HA HIS 10 5.229 4.958 -18.836 220 HB2 HIS 10 1HB HIS 10 5.914 2.465 -17.291 221 HB3 HIS 10 2HB HIS 10 4.303 2.672 -17.973 222 HD1 HIS 10 HD1 HIS 10 4.122 1.362 -20.094 223 HD2 HIS 10 HD2 HIS 10 7.829 3.304 -19.701 224 HE1 HIS 10 HE1 HIS 10 5.415 0.943 -22.234 225 HE2 HIS 10 HE2 HIS 10 7.652 2.106 -21.988 226 H LEU 11 H LEU 11 5.590 4.663 -15.306 227 HA LEU 11 HA LEU 11 2.752 4.795 -14.831 228 HB2 LEU 11 1HB LEU 11 4.371 3.909 -13.194 229 HB3 LEU 11 2HB LEU 11 5.075 5.509 -13.010 230 HG LEU 11 HG LEU 11 3.067 6.351 -11.953 231 HD11 LEU 11 1HD1 LEU 11 1.165 4.814 -11.406 232 HD12 LEU 11 2HD1 LEU 11 1.868 3.609 -12.510 233 HD13 LEU 11 3HD1 LEU 11 1.301 5.178 -13.134 234 HD21 LEU 11 3HD2 LEU 11 3.800 3.615 -10.838 235 HD22 LEU 11 1HD2 LEU 11 3.083 4.971 -9.936 236 HD23 LEU 11 2HD2 LEU 11 4.725 5.115 -10.591 237 H VAL 12 H VAL 12 5.360 7.299 -14.738 238 HA VAL 12 HA VAL 12 3.472 9.345 -14.050 239 HB VAL 12 HB VAL 12 5.979 9.439 -13.636 240 HG11 VAL 12 1HG1 VAL 12 6.791 8.827 -15.862 241 HG12 VAL 12 2HG1 VAL 12 6.099 10.313 -16.550 242 HG13 VAL 12 3HG1 VAL 12 7.424 10.401 -15.371 243 HG21 VAL 12 3HG2 VAL 12 4.672 11.829 -14.976 244 HG22 VAL 12 1HG2 VAL 12 4.572 11.368 -13.263 245 HG23 VAL 12 2HG2 VAL 12 6.122 11.887 -13.945 246 H GLU 13 H GLU 13 4.585 8.040 -17.163 247 HA GLU 13 HA GLU 13 3.430 10.088 -18.813 248 HB2 GLU 13 1HB GLU 13 4.051 7.155 -19.252 249 HB3 GLU 13 2HB GLU 13 3.338 8.160 -20.518 250 HG2 GLU 13 1HG GLU 13 5.259 9.594 -20.589 251 HG3 GLU 13 2HG GLU 13 5.949 8.852 -19.142 252 HE2 GLU 13 HE2 GLU 13 6.040 8.981 -22.234 253 H ALA 14 H ALA 14 2.111 7.066 -17.416 254 HA ALA 14 HA ALA 14 -0.405 7.246 -18.779 255 HB1 ALA 14 3HB ALA 14 -1.153 5.609 -17.110 256 HB2 ALA 14 1HB ALA 14 0.459 5.179 -17.726 257 HB3 ALA 14 2HB ALA 14 0.293 5.933 -16.122 258 H LEU 15 H LEU 15 0.823 8.547 -15.692 259 HA LEU 15 HA LEU 15 -1.725 9.407 -14.729 260 HB2 LEU 15 1HB LEU 15 1.092 10.340 -14.142 261 HB3 LEU 15 2HB LEU 15 -0.327 10.984 -13.319 262 HG LEU 15 HG LEU 15 0.503 8.067 -13.279 263 HD11 LEU 15 1HD1 LEU 15 1.178 8.496 -10.959 264 HD12 LEU 15 2HD1 LEU 15 0.774 10.220 -11.150 265 HD13 LEU 15 3HD1 LEU 15 2.108 9.505 -12.085 266 HD21 LEU 15 3HD2 LEU 15 -1.155 7.897 -11.464 267 HD22 LEU 15 1HD2 LEU 15 -1.898 8.332 -13.002 268 HD23 LEU 15 2HD2 LEU 15 -1.644 9.582 -11.766 269 H TYR 16 H TYR 16 0.561 10.958 -16.968 270 HA TYR 16 HA TYR 16 -0.650 13.559 -16.874 271 HB2 TYR 16 1HB TYR 16 0.872 12.048 -19.009 272 HB3 TYR 16 2HB TYR 16 0.106 13.598 -19.369 273 HD1 TYR 16 HD2 TYR 16 0.727 15.649 -17.945 274 HD2 TYR 16 HD1 TYR 16 3.031 12.022 -17.964 275 HE1 TYR 16 HE2 TYR 16 2.687 16.880 -17.007 276 HE2 TYR 16 HE1 TYR 16 4.986 13.258 -17.029 277 HH TYR 16 HH TYR 16 5.794 15.279 -16.314 278 H LEU 17 H LEU 17 -1.498 10.585 -18.642 279 HA LEU 17 HA LEU 17 -3.553 11.868 -20.212 280 HB2 LEU 17 1HB LEU 17 -3.262 8.962 -19.400 281 HB3 LEU 17 2HB LEU 17 -4.311 9.594 -20.656 282 HG LEU 17 HG LEU 17 -1.278 9.735 -20.731 283 HD11 LEU 17 1HD1 LEU 17 -2.083 7.403 -20.723 284 HD12 LEU 17 2HD1 LEU 17 -1.413 7.852 -22.307 285 HD13 LEU 17 3HD1 LEU 17 -3.177 7.774 -22.079 286 HD21 LEU 17 3HD2 LEU 17 -1.628 10.171 -23.151 287 HD22 LEU 17 1HD2 LEU 17 -2.338 11.440 -22.136 288 HD23 LEU 17 2HD2 LEU 17 -3.386 10.209 -22.881 289 H VAL 18 H VAL 18 -3.569 10.016 -17.158 290 HA VAL 18 HA VAL 18 -6.464 9.934 -17.052 291 HB VAL 18 HB VAL 18 -4.359 9.364 -14.911 292 HG11 VAL 18 1HG1 VAL 18 -7.345 8.748 -14.964 293 HG12 VAL 18 2HG1 VAL 18 -6.186 8.089 -13.784 294 HG13 VAL 18 3HG1 VAL 18 -6.499 9.832 -13.833 295 HG21 VAL 18 3HG2 VAL 18 -5.909 7.576 -16.829 296 HG22 VAL 18 1HG2 VAL 18 -4.157 7.864 -16.809 297 HG23 VAL 18 2HG2 VAL 18 -4.920 6.987 -15.478 298 H CYS 19 H CYS 19 -3.959 11.929 -15.440 299 HA CYS 19 HA CYS 19 -5.979 13.404 -13.949 300 HB2 CYS 19 1HB CYS 19 -3.044 13.892 -14.496 301 HB3 CYS 19 2HB CYS 19 -4.050 14.976 -13.517 302 H GLY 20 H GLY 20 -4.462 13.651 -17.149 303 HA2 GLY 20 1HA GLY 20 -4.936 15.096 -18.873 304 HA3 GLY 20 2HA GLY 20 -6.467 15.455 -18.050 305 H GLU 21 H GLU 21 -6.503 17.623 -18.405 306 HA GLU 21 HA GLU 21 -4.262 19.363 -18.017 307 HB2 GLU 21 1HB GLU 21 -7.246 19.919 -18.102 308 HB3 GLU 21 2HB GLU 21 -5.987 21.161 -18.148 309 HG2 GLU 21 1HG GLU 21 -5.114 20.214 -20.249 310 HG3 GLU 21 2HG GLU 21 -6.366 18.963 -20.210 311 HE2 GLU 21 HE2 GLU 21 -7.424 22.698 -20.992 312 H ARG 22 H ARG 22 -6.078 17.783 -15.608 313 HA ARG 22 HA ARG 22 -6.272 19.947 -13.693 314 HB2 ARG 22 1HB ARG 22 -6.126 16.940 -13.305 315 HB3 ARG 22 2HB ARG 22 -6.464 18.101 -12.023 316 HG2 ARG 22 1HG ARG 22 -8.500 18.826 -13.141 317 HG3 ARG 22 2HG ARG 22 -8.182 17.729 -14.501 318 HD2 ARG 22 1HD ARG 22 -8.469 16.792 -11.631 319 HD3 ARG 22 2HD ARG 22 -9.830 16.894 -12.767 320 HE ARG 22 HE ARG 22 -7.819 15.422 -14.064 321 HH11 ARG 22 1HH1 ARG 22 -9.813 15.015 -11.165 322 HH12 ARG 22 2HH1 ARG 22 -9.825 13.272 -11.312 323 HH21 ARG 22 1HH2 ARG 22 -7.938 13.163 -14.182 324 HH22 ARG 22 2HH2 ARG 22 -8.797 12.270 -12.944 325 H GLY 23 H GLY 23 -3.709 17.793 -14.721 326 HA2 GLY 23 1HA GLY 23 -1.447 17.890 -14.181 327 HA3 GLY 23 2HA GLY 23 -1.779 19.243 -13.081 328 H PHE 24 H PHE 24 -0.005 17.436 -12.194 329 HA PHE 24 HA PHE 24 -1.203 16.364 -9.803 330 HB2 PHE 24 1HB PHE 24 -0.781 14.010 -10.177 331 HB3 PHE 24 2HB PHE 24 -1.866 14.588 -11.437 332 HD1 PHE 24 HD2 PHE 24 -0.888 15.142 -13.740 333 HD2 PHE 24 HD1 PHE 24 1.264 12.981 -10.723 334 HE1 PHE 24 HE2 PHE 24 0.692 14.317 -15.464 335 HE2 PHE 24 HE1 PHE 24 2.843 12.143 -12.437 336 HZ PHE 24 HZ PHE 24 2.565 12.810 -14.827 337 H PHE 25 H PHE 25 0.647 14.988 -8.698 338 HA PHE 25 HA PHE 25 3.325 15.725 -9.740 339 HB2 PHE 25 1HB PHE 25 4.131 16.094 -7.430 340 HB3 PHE 25 2HB PHE 25 2.943 17.309 -7.913 341 HD1 PHE 25 HD1 PHE 25 3.438 14.233 -5.853 342 HD2 PHE 25 HD2 PHE 25 0.892 17.598 -6.715 343 HE1 PHE 25 HE1 PHE 25 2.095 13.732 -3.819 344 HE2 PHE 25 HE2 PHE 25 -0.441 17.116 -4.663 345 HZ PHE 25 HZ PHE 25 0.152 15.174 -3.220 346 H TYR 26 H TYR 26 4.933 14.115 -8.896 347 HA TYR 26 HA TYR 26 3.663 11.564 -8.023 348 HB2 TYR 26 1HB TYR 26 3.758 11.379 -10.434 349 HB3 TYR 26 2HB TYR 26 5.421 11.986 -10.464 350 HD1 TYR 26 HD2 TYR 26 3.450 9.207 -8.814 351 HD2 TYR 26 HD1 TYR 26 7.132 10.420 -10.690 352 HE1 TYR 26 HE2 TYR 26 4.354 6.904 -8.548 353 HE2 TYR 26 HE1 TYR 26 8.010 8.107 -10.445 354 HH TYR 26 HH TYR 26 7.637 6.023 -9.705 355 H THR 27 H THR 27 4.949 10.367 -6.703 356 HA THR 27 HA THR 27 7.564 11.590 -5.987 357 HB THR 27 HB THR 27 6.316 11.972 -4.095 358 HG1 THR 27 HG1 THR 27 8.034 10.779 -3.372 359 HG21 THR 27 1HG2 THR 27 4.934 9.355 -4.699 360 HG22 THR 27 2HG2 THR 27 4.239 10.997 -4.679 361 HG23 THR 27 3HG2 THR 27 4.741 10.226 -3.160 362 HA PRO 28 HA PRO 28 8.740 7.389 -7.299 363 HB2 PRO 28 1HB PRO 28 11.229 8.017 -8.208 364 HB3 PRO 28 2HB PRO 28 9.760 8.400 -9.157 365 HG2 PRO 28 1HG PRO 28 11.409 10.183 -7.408 366 HG3 PRO 28 2HG PRO 28 10.721 10.505 -9.025 367 HD2 PRO 28 1HD PRO 28 9.595 11.335 -6.639 368 HD3 PRO 28 2HD PRO 28 8.633 11.052 -8.126 369 H LYS 29 H LYS 29 10.392 5.897 -6.397 370 HA LYS 29 HA LYS 29 11.287 6.779 -3.713 371 HB2 LYS 29 1HB LYS 29 11.585 4.094 -5.121 372 HB3 LYS 29 2HB LYS 29 12.039 4.445 -3.447 373 HG2 LYS 29 1HG LYS 29 9.567 5.091 -3.104 374 HG3 LYS 29 2HG LYS 29 9.271 4.280 -4.650 375 HD2 LYS 29 1HD LYS 29 10.554 3.005 -2.183 376 HD3 LYS 29 2HD LYS 29 8.874 2.794 -2.695 377 HE2 LYS 29 1HE LYS 29 9.756 0.882 -3.605 378 HE3 LYS 29 2HE LYS 29 10.022 1.979 -4.972 379 HZ1 LYS 29 3HZ LYS 29 12.056 1.253 -2.919 380 HZ2 LYS 29 1HZ LYS 29 12.320 2.272 -4.188 381 HZ3 LYS 29 2HZ LYS 29 12.010 0.675 -4.463 382 H THR 30 H THR 30 12.836 8.367 -4.431 383 HA THR 30 HA THR 30 15.115 7.441 -6.037 384 HB THR 30 HB THR 30 15.908 9.878 -5.237 385 HG1 THR 30 HG1 THR 30 14.374 10.403 -3.787 386 HG21 THR 30 1HG2 THR 30 13.541 9.364 -7.143 387 HG22 THR 30 2HG2 THR 30 15.259 9.339 -7.588 388 HG23 THR 30 3HG2 THR 30 14.493 10.854 -7.089 389 HXT THR 30 H02 THR 30 15.471 5.918 -4.735 Start of MODEL 37 1 H1 GLY 1 3H0 GLY 1 0.892 -1.094 -0.993 2 H2 GLY 1 2H0 GLY 1 2.456 -1.102 -1.520 3 H3 GLY 1 1H0 GLY 1 2.116 -0.746 0.056 4 HA2 GLY 1 1HA GLY 1 0.991 1.281 -0.557 5 HA3 GLY 1 2HA GLY 1 2.661 1.269 -1.154 6 H ILE 2 H ILE 2 0.676 2.949 -2.350 7 HA ILE 2 HA ILE 2 -0.699 1.634 -4.463 8 HB ILE 2 HB ILE 2 -1.314 3.833 -3.481 9 HG12 ILE 2 1HG1 ILE 2 -0.934 3.827 -6.490 10 HG13 ILE 2 2HG1 ILE 2 -2.218 2.997 -5.615 11 HG21 ILE 2 1HG2 ILE 2 1.010 4.840 -3.414 12 HG22 ILE 2 2HG2 ILE 2 0.918 5.057 -5.178 13 HG23 ILE 2 3HG2 ILE 2 -0.213 5.909 -4.111 14 HD11 ILE 2 3HD1 ILE 2 -3.116 5.026 -6.510 15 HD12 ILE 2 1HD1 ILE 2 -2.986 5.241 -4.751 16 HD13 ILE 2 2HD1 ILE 2 -1.794 6.003 -5.842 17 H VAL 3 H VAL 3 2.530 3.180 -4.468 18 HA VAL 3 HA VAL 3 2.867 2.948 -7.306 19 HB VAL 3 HB VAL 3 5.020 3.005 -5.142 20 HG11 VAL 3 1HG1 VAL 3 5.079 3.715 -8.107 21 HG12 VAL 3 2HG1 VAL 3 6.401 4.031 -6.959 22 HG13 VAL 3 3HG1 VAL 3 5.917 2.357 -7.325 23 HG21 VAL 3 3HG2 VAL 3 3.555 4.924 -4.834 24 HG22 VAL 3 1HG2 VAL 3 5.054 5.474 -5.605 25 HG23 VAL 3 2HG2 VAL 3 3.581 5.273 -6.579 26 H GLU 4 H GLU 4 3.588 0.849 -4.559 27 HA GLU 4 HA GLU 4 5.026 -1.163 -5.973 28 HB2 GLU 4 1HB GLU 4 4.910 -0.854 -3.486 29 HB3 GLU 4 2HB GLU 4 3.227 -1.366 -3.538 30 HG2 GLU 4 1HG GLU 4 3.986 -3.583 -4.415 31 HG3 GLU 4 2HG GLU 4 5.653 -3.057 -4.135 32 HE2 GLU 4 HE2 GLU 4 4.918 -4.771 -1.218 33 H GLN 5 H GLN 5 1.563 -0.735 -5.215 34 HA GLN 5 HA GLN 5 0.643 -3.200 -6.243 35 HB2 GLN 5 1HB GLN 5 -0.534 -1.463 -4.812 36 HB3 GLN 5 2HB GLN 5 -0.816 -0.530 -6.279 37 HG2 GLN 5 1HG GLN 5 -2.464 -1.918 -6.999 38 HG3 GLN 5 2HG GLN 5 -1.680 -3.369 -6.349 39 HE21 GLN 5 2HE2 GLN 5 -4.186 -1.137 -5.902 40 HE22 GLN 5 1HE2 GLN 5 -4.590 -1.574 -4.254 41 H CYS 6 H CYS 6 1.098 -0.020 -7.817 42 HA CYS 6 HA CYS 6 0.084 -0.926 -10.377 43 HB2 CYS 6 1HB CYS 6 1.617 1.498 -9.411 44 HB3 CYS 6 2HB CYS 6 1.282 1.235 -11.132 45 H CYS 7 H CYS 7 3.215 -0.980 -8.819 46 HA CYS 7 HA CYS 7 4.746 -1.313 -11.235 47 HB2 CYS 7 1HB CYS 7 5.625 -0.520 -9.010 48 HB3 CYS 7 2HB CYS 7 5.420 -2.161 -8.393 49 H THR 8 H THR 8 3.540 -3.586 -8.715 50 HA THR 8 HA THR 8 4.635 -5.837 -10.238 51 HB THR 8 HB THR 8 4.722 -5.642 -7.699 52 HG1 THR 8 HG1 THR 8 4.307 -7.904 -7.482 53 HG21 THR 8 1HG2 THR 8 1.874 -6.681 -7.822 54 HG22 THR 8 2HG2 THR 8 2.269 -4.987 -7.449 55 HG23 THR 8 3HG2 THR 8 2.837 -6.288 -6.383 56 H SER 9 H SER 9 1.470 -4.326 -9.889 57 HA SER 9 HA SER 9 0.425 -6.523 -11.607 58 HB2 SER 9 1HB SER 9 -0.295 -6.718 -9.145 59 HB3 SER 9 2HB SER 9 -1.219 -5.221 -9.392 60 HG SER 9 HG SER 9 -2.365 -7.276 -9.749 61 H ILE 10 H ILE 10 -2.057 -5.648 -12.171 62 HA ILE 10 HA ILE 10 -1.249 -3.661 -14.128 63 HB ILE 10 HB ILE 10 -3.949 -4.949 -13.583 64 HG12 ILE 10 1HG1 ILE 10 -2.188 -6.544 -14.257 65 HG13 ILE 10 2HG1 ILE 10 -3.468 -6.398 -15.458 66 HG21 ILE 10 1HG2 ILE 10 -3.061 -3.166 -15.892 67 HG22 ILE 10 2HG2 ILE 10 -4.541 -4.157 -15.897 68 HG23 ILE 10 3HG2 ILE 10 -4.358 -2.849 -14.720 69 HD11 ILE 10 3HD1 ILE 10 -0.739 -5.072 -15.656 70 HD12 ILE 10 1HD1 ILE 10 -1.240 -6.554 -16.493 71 HD13 ILE 10 2HD1 ILE 10 -2.020 -5.013 -16.877 72 H CYS 11 H CYS 11 -1.274 -1.586 -13.936 73 HA CYS 11 HA CYS 11 -2.656 -0.340 -11.658 74 HB2 CYS 11 1HB CYS 11 -0.267 0.131 -12.442 75 HB3 CYS 11 2HB CYS 11 -0.986 0.943 -13.820 76 H SER 12 H SER 12 -4.830 -0.693 -12.362 77 HA SER 12 HA SER 12 -5.848 0.156 -14.891 78 HB2 SER 12 1HB SER 12 -7.303 0.102 -12.221 79 HB3 SER 12 2HB SER 12 -8.021 -0.062 -13.839 80 HG SER 12 HG SER 12 -6.995 -2.046 -14.052 81 H LEU 13 H LEU 13 -7.264 2.034 -15.307 82 HA LEU 13 HA LEU 13 -6.052 4.482 -14.649 83 HB2 LEU 13 1HB LEU 13 -7.895 5.545 -15.723 84 HB3 LEU 13 2HB LEU 13 -7.496 4.072 -16.596 85 HG LEU 13 HG LEU 13 -9.493 3.158 -14.958 86 HD11 LEU 13 1HD1 LEU 13 -9.984 5.397 -14.055 87 HD12 LEU 13 2HD1 LEU 13 -11.325 4.819 -15.058 88 HD13 LEU 13 3HD1 LEU 13 -10.195 6.030 -15.706 89 HD21 LEU 13 3HD2 LEU 13 -10.924 3.298 -16.951 90 HD22 LEU 13 1HD2 LEU 13 -9.279 2.780 -17.369 91 HD23 LEU 13 2HD2 LEU 13 -9.793 4.457 -17.688 92 H TYR 14 H TYR 14 -8.532 2.732 -12.881 93 HA TYR 14 HA TYR 14 -9.448 4.912 -11.277 94 HB2 TYR 14 1HB TYR 14 -9.280 1.989 -10.500 95 HB3 TYR 14 2HB TYR 14 -10.426 3.195 -9.912 96 HD1 TYR 14 HD2 TYR 14 -11.999 4.276 -11.768 97 HD2 TYR 14 HD1 TYR 14 -9.852 0.578 -12.288 98 HE1 TYR 14 HE2 TYR 14 -13.538 3.634 -13.624 99 HE2 TYR 14 HE1 TYR 14 -11.383 -0.040 -14.162 100 HH TYR 14 HH TYR 14 -14.090 2.042 -15.178 101 H GLN 15 H GLN 15 -6.756 2.621 -10.978 102 HA GLN 15 HA GLN 15 -5.996 3.379 -8.288 103 HB2 GLN 15 1HB GLN 15 -4.343 2.184 -10.554 104 HB3 GLN 15 2HB GLN 15 -3.843 2.272 -8.868 105 HG2 GLN 15 1HG GLN 15 -6.300 0.747 -9.814 106 HG3 GLN 15 2HG GLN 15 -4.695 0.023 -9.647 107 HE21 GLN 15 2HE2 GLN 15 -7.597 0.508 -8.098 108 HE22 GLN 15 1HE2 GLN 15 -7.061 0.255 -6.457 109 H LEU 16 H LEU 16 -5.153 4.359 -11.591 110 HA LEU 16 HA LEU 16 -3.068 6.166 -10.909 111 HB2 LEU 16 1HB LEU 16 -4.900 5.988 -13.303 112 HB3 LEU 16 2HB LEU 16 -3.588 7.154 -13.190 113 HG LEU 16 HG LEU 16 -3.172 4.156 -12.959 114 HD11 LEU 16 1HD1 LEU 16 -4.065 4.681 -15.176 115 HD12 LEU 16 2HD1 LEU 16 -2.365 4.205 -15.257 116 HD13 LEU 16 3HD1 LEU 16 -2.810 5.923 -15.395 117 HD21 LEU 16 3HD2 LEU 16 -1.370 5.548 -11.995 118 HD22 LEU 16 1HD2 LEU 16 -1.237 6.432 -13.532 119 HD23 LEU 16 2HD2 LEU 16 -0.834 4.707 -13.457 120 H GLU 17 H GLU 17 -6.608 6.680 -11.095 121 HA GLU 17 HA GLU 17 -6.547 9.504 -11.033 122 HB2 GLU 17 1HB GLU 17 -8.538 7.468 -10.056 123 HB3 GLU 17 2HB GLU 17 -8.793 9.194 -9.782 124 HG2 GLU 17 1HG GLU 17 -8.581 9.591 -12.217 125 HG3 GLU 17 2HG GLU 17 -8.463 7.845 -12.467 126 HE2 GLU 17 HE2 GLU 17 -11.919 9.544 -11.676 127 H ASN 18 H ASN 18 -5.862 7.281 -8.401 128 HA ASN 18 HA ASN 18 -6.389 9.123 -6.252 129 HB2 ASN 18 1HB ASN 18 -4.521 6.751 -6.444 130 HB3 ASN 18 2HB ASN 18 -4.857 7.627 -4.946 131 HD21 ASN 18 2HD2 ASN 18 -5.867 5.197 -7.092 132 HD22 ASN 18 1HD2 ASN 18 -7.387 4.824 -6.308 133 H TYR 19 H TYR 19 -3.727 8.797 -8.497 134 HA TYR 19 HA TYR 19 -1.761 10.227 -6.861 135 HB2 TYR 19 1HB TYR 19 -1.945 9.461 -9.758 136 HB3 TYR 19 2HB TYR 19 -0.566 10.299 -9.096 137 HD1 TYR 19 HD2 TYR 19 -2.329 7.070 -9.247 138 HD2 TYR 19 HD1 TYR 19 1.059 9.196 -7.686 139 HE1 TYR 19 HE2 TYR 19 -1.202 4.907 -8.763 140 HE2 TYR 19 HE1 TYR 19 2.173 7.033 -7.187 141 HH TYR 19 HH TYR 19 0.632 3.885 -7.971 142 H CYS 20 H CYS 20 -4.535 11.221 -8.614 143 HA CYS 20 HA CYS 20 -3.360 13.455 -10.016 144 HB2 CYS 20 1HB CYS 20 -6.254 12.970 -9.262 145 HB3 CYS 20 2HB CYS 20 -5.666 14.165 -10.422 146 H ASN 21 H ASN 21 -3.502 15.603 -9.643 147 HA ASN 21 HA ASN 21 -3.322 16.470 -6.861 148 HB2 ASN 21 1HB ASN 21 -1.837 17.476 -8.553 149 HB3 ASN 21 2HB ASN 21 -3.225 17.912 -9.548 150 HD21 ASN 21 2HD2 ASN 21 -3.665 19.950 -9.545 151 HD22 ASN 21 1HD2 ASN 21 -3.527 21.007 -8.154 152 HXT ASN 21 H02 ASN 21 -6.353 17.701 -6.342 153 H1 PHE 1 3H0 PHE 1 -9.042 2.933 -21.968 154 H2 PHE 1 2H0 PHE 1 -8.369 2.104 -23.226 155 H3 PHE 1 1H0 PHE 1 -9.122 1.284 -22.010 156 HA PHE 1 HA PHE 1 -6.643 2.855 -21.757 157 HB2 PHE 1 1HB PHE 1 -8.249 2.838 -19.777 158 HB3 PHE 1 2HB PHE 1 -8.003 1.091 -19.686 159 HD1 PHE 1 HD2 PHE 1 -6.301 4.404 -19.427 160 HD2 PHE 1 HD1 PHE 1 -6.039 0.171 -18.640 161 HE1 PHE 1 HE2 PHE 1 -4.260 4.788 -18.060 162 HE2 PHE 1 HE1 PHE 1 -3.996 0.557 -17.266 163 HZ PHE 1 HZ PHE 1 -3.095 2.866 -16.994 164 H VAL 2 H VAL 2 -4.698 1.547 -21.577 165 HA VAL 2 HA VAL 2 -5.107 -1.237 -22.606 166 HB VAL 2 HB VAL 2 -2.652 0.580 -22.846 167 HG11 VAL 2 1HG1 VAL 2 -2.036 -1.813 -22.739 168 HG12 VAL 2 2HG1 VAL 2 -3.219 -2.188 -24.016 169 HG13 VAL 2 3HG1 VAL 2 -1.796 -1.187 -24.381 170 HG21 VAL 2 3HG2 VAL 2 -4.729 -0.252 -24.926 171 HG22 VAL 2 1HG2 VAL 2 -4.438 1.392 -24.308 172 HG23 VAL 2 2HG2 VAL 2 -3.204 0.588 -25.292 173 H ASN 3 H ASN 3 -4.655 -2.813 -21.161 174 HA ASN 3 HA ASN 3 -3.646 -2.060 -18.544 175 HB2 ASN 3 1HB ASN 3 -4.250 -4.756 -19.805 176 HB3 ASN 3 2HB ASN 3 -3.668 -4.548 -18.149 177 HD21 ASN 3 2HD2 ASN 3 -6.222 -5.649 -19.149 178 HD22 ASN 3 1HD2 ASN 3 -7.467 -4.680 -18.399 179 H GLN 4 H GLN 4 -1.650 -2.024 -17.842 180 HA GLN 4 HA GLN 4 0.255 -4.047 -18.633 181 HB2 GLN 4 1HB GLN 4 2.005 -2.441 -19.355 182 HB3 GLN 4 2HB GLN 4 0.650 -2.482 -20.485 183 HG2 GLN 4 1HG GLN 4 -0.251 -0.409 -19.428 184 HG3 GLN 4 2HG GLN 4 1.189 -0.356 -18.410 185 HE21 GLN 4 2HE2 GLN 4 -0.041 -0.117 -21.689 186 HE22 GLN 4 1HE2 GLN 4 1.334 0.741 -22.342 187 H HIS 5 H HIS 5 1.911 -4.069 -17.074 188 HA HIS 5 HA HIS 5 1.355 -2.816 -14.501 189 HB2 HIS 5 1HB HIS 5 3.936 -4.076 -15.526 190 HB3 HIS 5 2HB HIS 5 3.536 -3.721 -13.841 191 HD1 HIS 5 HD1 HIS 5 0.828 -4.904 -13.435 192 HD2 HIS 5 HD2 HIS 5 3.712 -6.789 -15.727 193 HE1 HIS 5 HE1 HIS 5 0.214 -7.391 -13.517 194 HE2 HIS 5 HE2 HIS 5 2.000 -8.511 -14.901 195 H LEU 6 H LEU 6 2.365 -0.953 -13.613 196 HA LEU 6 HA LEU 6 3.971 0.671 -15.567 197 HB2 LEU 6 1HB LEU 6 1.730 1.603 -13.749 198 HB3 LEU 6 2HB LEU 6 2.782 2.654 -14.669 199 HG LEU 6 HG LEU 6 0.784 0.723 -15.873 200 HD11 LEU 6 1HD1 LEU 6 -0.213 2.638 -14.614 201 HD12 LEU 6 2HD1 LEU 6 -0.529 2.720 -16.354 202 HD13 LEU 6 3HD1 LEU 6 0.719 3.754 -15.620 203 HD21 LEU 6 3HD2 LEU 6 1.180 1.939 -17.962 204 HD22 LEU 6 1HD2 LEU 6 2.688 1.200 -17.396 205 HD23 LEU 6 2HD2 LEU 6 2.397 2.947 -17.167 206 H CYS 7 H CYS 7 5.965 0.839 -14.662 207 HA CYS 7 HA CYS 7 6.046 1.432 -11.728 208 HB2 CYS 7 1HB CYS 7 6.517 -1.002 -12.401 209 HB3 CYS 7 2HB CYS 7 8.041 -0.400 -13.066 210 H GLY 8 H GLY 8 7.849 1.588 -14.804 211 HA2 GLY 8 1HA GLY 8 9.802 3.444 -13.613 212 HA3 GLY 8 2HA GLY 8 9.795 2.812 -15.270 213 H SER 9 H SER 9 9.994 4.770 -16.329 214 HA SER 9 HA SER 9 8.583 7.158 -15.849 215 HB2 SER 9 1HB SER 9 8.956 7.460 -18.381 216 HB3 SER 9 2HB SER 9 10.399 7.169 -17.379 217 HG SER 9 HG SER 9 10.280 5.850 -19.297 218 H HIS 10 H HIS 10 7.503 4.187 -17.331 219 HA HIS 10 HA HIS 10 5.267 5.011 -18.816 220 HB2 HIS 10 1HB HIS 10 5.793 2.565 -17.090 221 HB3 HIS 10 2HB HIS 10 4.300 2.786 -17.992 222 HD1 HIS 10 HD1 HIS 10 4.232 1.548 -20.116 223 HD2 HIS 10 HD2 HIS 10 8.084 2.942 -19.177 224 HE1 HIS 10 HE1 HIS 10 5.751 0.854 -22.011 225 HE2 HIS 10 HE2 HIS 10 8.078 1.696 -21.454 226 H LEU 11 H LEU 11 5.582 4.651 -15.268 227 HA LEU 11 HA LEU 11 2.751 4.772 -14.778 228 HB2 LEU 11 1HB LEU 11 4.441 3.848 -13.221 229 HB3 LEU 11 2HB LEU 11 5.121 5.450 -12.999 230 HG LEU 11 HG LEU 11 3.210 6.193 -11.763 231 HD11 LEU 11 1HD1 LEU 11 1.302 4.733 -11.235 232 HD12 LEU 11 2HD1 LEU 11 1.930 3.499 -12.350 233 HD13 LEU 11 3HD1 LEU 11 1.392 5.082 -12.967 234 HD21 LEU 11 3HD2 LEU 11 3.369 4.697 -9.852 235 HD22 LEU 11 1HD2 LEU 11 4.957 4.790 -10.646 236 HD23 LEU 11 2HD2 LEU 11 3.925 3.361 -10.891 237 H VAL 12 H VAL 12 5.351 7.208 -14.805 238 HA VAL 12 HA VAL 12 3.669 9.395 -14.015 239 HB VAL 12 HB VAL 12 6.280 9.413 -15.603 240 HG11 VAL 12 1HG1 VAL 12 5.001 11.576 -13.905 241 HG12 VAL 12 2HG1 VAL 12 6.571 11.681 -14.732 242 HG13 VAL 12 3HG1 VAL 12 5.075 11.559 -15.680 243 HG21 VAL 12 3HG2 VAL 12 6.630 8.198 -13.529 244 HG22 VAL 12 1HG2 VAL 12 7.339 9.813 -13.356 245 HG23 VAL 12 2HG2 VAL 12 5.770 9.451 -12.601 246 H GLU 13 H GLU 13 4.699 8.072 -17.170 247 HA GLU 13 HA GLU 13 3.581 10.151 -18.779 248 HB2 GLU 13 1HB GLU 13 4.145 7.224 -19.306 249 HB3 GLU 13 2HB GLU 13 3.586 8.339 -20.559 250 HG2 GLU 13 1HG GLU 13 5.574 9.683 -20.362 251 HG3 GLU 13 2HG GLU 13 6.106 8.793 -18.933 252 HE2 GLU 13 HE2 GLU 13 7.204 7.614 -22.398 253 H ALA 14 H ALA 14 2.169 7.236 -17.332 254 HA ALA 14 HA ALA 14 -0.282 7.387 -18.865 255 HB1 ALA 14 3HB ALA 14 0.559 5.308 -17.822 256 HB2 ALA 14 1HB ALA 14 0.317 6.032 -16.212 257 HB3 ALA 14 2HB ALA 14 -1.082 5.716 -17.268 258 H LEU 15 H LEU 15 0.884 8.744 -15.813 259 HA LEU 15 HA LEU 15 -1.687 9.477 -14.810 260 HB2 LEU 15 1HB LEU 15 1.123 10.442 -14.260 261 HB3 LEU 15 2HB LEU 15 -0.279 11.153 -13.468 262 HG LEU 15 HG LEU 15 0.371 8.205 -13.325 263 HD11 LEU 15 1HD1 LEU 15 1.225 8.571 -11.099 264 HD12 LEU 15 2HD1 LEU 15 0.900 10.313 -11.213 265 HD13 LEU 15 3HD1 LEU 15 2.149 9.571 -12.238 266 HD21 LEU 15 3HD2 LEU 15 -1.958 8.725 -12.983 267 HD22 LEU 15 1HD2 LEU 15 -1.527 10.003 -11.829 268 HD23 LEU 15 2HD2 LEU 15 -1.206 8.293 -11.450 269 H TYR 16 H TYR 16 0.482 11.077 -17.095 270 HA TYR 16 HA TYR 16 -0.788 13.646 -17.031 271 HB2 TYR 16 1HB TYR 16 0.640 12.102 -19.223 272 HB3 TYR 16 2HB TYR 16 -0.084 13.686 -19.513 273 HD1 TYR 16 HD1 TYR 16 0.727 15.708 -18.217 274 HD2 TYR 16 HD2 TYR 16 2.784 11.935 -18.126 275 HE1 TYR 16 HE1 TYR 16 2.778 16.839 -17.349 276 HE2 TYR 16 HE2 TYR 16 4.839 13.078 -17.295 277 HH TYR 16 HH TYR 16 5.789 15.059 -16.657 278 H LEU 17 H LEU 17 -1.605 10.600 -18.684 279 HA LEU 17 HA LEU 17 -3.708 11.769 -20.270 280 HB2 LEU 17 1HB LEU 17 -3.365 8.904 -19.346 281 HB3 LEU 17 2HB LEU 17 -4.410 9.471 -20.631 282 HG LEU 17 HG LEU 17 -1.376 9.634 -20.691 283 HD11 LEU 17 1HD1 LEU 17 -3.243 7.581 -21.950 284 HD12 LEU 17 2HD1 LEU 17 -2.167 7.296 -20.560 285 HD13 LEU 17 3HD1 LEU 17 -1.477 7.663 -22.156 286 HD21 LEU 17 3HD2 LEU 17 -2.451 11.251 -22.190 287 HD22 LEU 17 1HD2 LEU 17 -3.468 9.965 -22.883 288 HD23 LEU 17 2HD2 LEU 17 -1.705 9.943 -23.127 289 H VAL 18 H VAL 18 -3.671 9.918 -17.211 290 HA VAL 18 HA VAL 18 -6.564 9.801 -17.129 291 HB VAL 18 HB VAL 18 -4.487 9.154 -14.983 292 HG11 VAL 18 1HG1 VAL 18 -7.454 8.466 -15.162 293 HG12 VAL 18 2HG1 VAL 18 -6.315 7.765 -13.988 294 HG13 VAL 18 3HG1 VAL 18 -6.671 9.499 -13.944 295 HG21 VAL 18 3HG2 VAL 18 -4.128 7.734 -16.886 296 HG22 VAL 18 1HG2 VAL 18 -5.045 6.776 -15.714 297 HG23 VAL 18 2HG2 VAL 18 -5.874 7.480 -17.116 298 H CYS 19 H CYS 19 -4.090 11.755 -15.443 299 HA CYS 19 HA CYS 19 -6.201 13.111 -13.917 300 HB2 CYS 19 1HB CYS 19 -3.226 13.647 -14.096 301 HB3 CYS 19 2HB CYS 19 -4.354 14.368 -12.936 302 H GLY 20 H GLY 20 -4.813 13.438 -17.038 303 HA2 GLY 20 1HA GLY 20 -4.984 15.127 -18.584 304 HA3 GLY 20 2HA GLY 20 -6.489 15.522 -17.745 305 H GLU 21 H GLU 21 -6.539 17.632 -17.816 306 HA GLU 21 HA GLU 21 -4.226 19.310 -17.475 307 HB2 GLU 21 1HB GLU 21 -5.738 21.137 -17.726 308 HB3 GLU 21 2HB GLU 21 -6.214 19.877 -18.863 309 HG2 GLU 21 1HG GLU 21 -7.622 20.128 -16.182 310 HG3 GLU 21 2HG GLU 21 -8.043 21.183 -17.531 311 HE2 GLU 21 HE2 GLU 21 -9.906 18.895 -19.065 312 H ARG 22 H ARG 22 -5.961 17.656 -15.073 313 HA ARG 22 HA ARG 22 -6.036 19.867 -13.142 314 HB2 ARG 22 1HB ARG 22 -6.497 16.889 -12.823 315 HB3 ARG 22 2HB ARG 22 -6.588 18.053 -11.505 316 HG2 ARG 22 1HG ARG 22 -8.815 17.948 -12.060 317 HG3 ARG 22 2HG ARG 22 -8.311 19.305 -13.078 318 HD2 ARG 22 1HD ARG 22 -9.722 17.803 -14.372 319 HD3 ARG 22 2HD ARG 22 -8.063 17.708 -14.996 320 HE ARG 22 HE ARG 22 -8.482 15.742 -12.969 321 HH11 ARG 22 1HH1 ARG 22 -9.149 16.333 -16.392 322 HH12 ARG 22 2HH1 ARG 22 -9.274 14.626 -16.741 323 HH21 ARG 22 1HH2 ARG 22 -8.679 13.609 -13.494 324 HH22 ARG 22 2HH2 ARG 22 -8.967 13.110 -15.136 325 H GLY 23 H GLY 23 -3.722 17.583 -14.253 326 HA2 GLY 23 1HA GLY 23 -1.460 17.508 -13.685 327 HA3 GLY 23 2HA GLY 23 -1.764 18.609 -12.326 328 H PHE 24 H PHE 24 -0.094 16.601 -11.767 329 HA PHE 24 HA PHE 24 -1.608 14.943 -9.892 330 HB2 PHE 24 1HB PHE 24 -0.854 12.825 -10.768 331 HB3 PHE 24 2HB PHE 24 -1.745 13.678 -12.022 332 HD1 PHE 24 HD2 PHE 24 1.563 12.523 -10.932 333 HD2 PHE 24 HD1 PHE 24 -0.666 14.475 -14.039 334 HE1 PHE 24 HE2 PHE 24 3.465 12.219 -12.460 335 HE2 PHE 24 HE1 PHE 24 1.248 14.186 -15.588 336 HZ PHE 24 HZ PHE 24 3.325 13.062 -14.815 337 H PHE 25 H PHE 25 0.021 13.421 -8.777 338 HA PHE 25 HA PHE 25 2.724 14.679 -8.660 339 HB2 PHE 25 1HB PHE 25 2.704 14.421 -6.212 340 HB3 PHE 25 2HB PHE 25 1.436 15.536 -6.738 341 HD1 PHE 25 HD2 PHE 25 2.134 12.169 -5.352 342 HD2 PHE 25 HD1 PHE 25 -0.924 14.979 -6.486 343 HE1 PHE 25 HE2 PHE 25 0.437 10.795 -4.163 344 HE2 PHE 25 HE1 PHE 25 -2.633 13.604 -5.319 345 HZ PHE 25 HZ PHE 25 -1.950 11.497 -4.154 346 H TYR 26 H TYR 26 4.303 13.103 -7.754 347 HA TYR 26 HA TYR 26 3.426 10.284 -7.749 348 HB2 TYR 26 1HB TYR 26 3.913 10.591 -10.105 349 HB3 TYR 26 2HB TYR 26 5.405 11.468 -9.733 350 HD1 TYR 26 HD2 TYR 26 3.886 8.134 -8.759 351 HD2 TYR 26 HD1 TYR 26 7.366 10.281 -10.109 352 HE1 TYR 26 HE2 TYR 26 5.206 6.026 -8.743 353 HE2 TYR 26 HE1 TYR 26 8.658 8.156 -10.143 354 HH TYR 26 HH TYR 26 8.620 5.937 -9.851 355 H THR 27 H THR 27 4.744 9.074 -6.435 356 HA THR 27 HA THR 27 6.854 10.585 -4.992 357 HB THR 27 HB THR 27 6.628 8.754 -3.296 358 HG1 THR 27 HG1 THR 27 5.815 7.221 -4.886 359 HG21 THR 27 1HG2 THR 27 3.927 9.989 -4.025 360 HG22 THR 27 2HG2 THR 27 5.223 10.853 -3.161 361 HG23 THR 27 3HG2 THR 27 4.455 9.430 -2.425 362 HA PRO 28 HA PRO 28 9.282 7.848 -7.647 363 HB2 PRO 28 1HB PRO 28 11.676 9.130 -7.544 364 HB3 PRO 28 2HB PRO 28 10.301 9.782 -8.496 365 HG2 PRO 28 1HG PRO 28 11.177 10.506 -5.714 366 HG3 PRO 28 2HG PRO 28 10.863 11.583 -7.110 367 HD2 PRO 28 1HD PRO 28 8.999 11.134 -5.199 368 HD3 PRO 28 2HD PRO 28 8.548 11.331 -6.928 369 H LYS 29 H LYS 29 11.268 6.512 -7.335 370 HA LYS 29 HA LYS 29 11.476 5.633 -4.522 371 HB2 LYS 29 1HB LYS 29 12.714 4.581 -7.110 372 HB3 LYS 29 2HB LYS 29 13.003 3.892 -5.511 373 HG2 LYS 29 1HG LYS 29 11.380 2.467 -6.229 374 HG3 LYS 29 2HG LYS 29 10.350 3.688 -5.461 375 HD2 LYS 29 1HD LYS 29 9.896 4.710 -7.653 376 HD3 LYS 29 2HD LYS 29 11.033 3.592 -8.436 377 HE2 LYS 29 1HE LYS 29 9.631 1.681 -7.768 378 HE3 LYS 29 2HE LYS 29 8.503 2.783 -6.953 379 HZ1 LYS 29 3HZ LYS 29 9.088 2.796 -9.865 380 HZ2 LYS 29 1HZ LYS 29 8.028 3.798 -9.098 381 HZ3 LYS 29 2HZ LYS 29 7.732 2.178 -9.168 382 H THR 30 H THR 30 12.602 7.278 -3.479 383 HA THR 30 HA THR 30 15.052 8.364 -4.675 384 HB THR 30 HB THR 30 15.139 9.673 -2.495 385 HG1 THR 30 HG1 THR 30 14.002 8.224 -1.172 386 HG21 THR 30 1HG2 THR 30 12.408 9.788 -3.911 387 HG22 THR 30 2HG2 THR 30 13.888 10.527 -4.562 388 HG23 THR 30 3HG2 THR 30 13.205 11.095 -3.030 389 HXT THR 30 H02 THR 30 16.042 5.819 -1.942 Start of MODEL 38 1 H1 GLY 1 3H0 GLY 1 2.361 -1.686 -1.619 2 H2 GLY 1 2H0 GLY 1 1.680 -1.561 -0.120 3 H3 GLY 1 1H0 GLY 1 0.735 -1.890 -1.435 4 HA2 GLY 1 1HA GLY 1 0.492 0.400 -0.724 5 HA3 GLY 1 2HA GLY 1 2.232 0.609 -1.013 6 H ILE 2 H ILE 2 0.244 2.182 -2.357 7 HA ILE 2 HA ILE 2 -0.759 1.007 -4.677 8 HB ILE 2 HB ILE 2 -1.457 3.182 -3.644 9 HG12 ILE 2 1HG1 ILE 2 -0.924 3.245 -6.630 10 HG13 ILE 2 2HG1 ILE 2 -2.204 2.321 -5.847 11 HG21 ILE 2 1HG2 ILE 2 0.848 4.428 -5.228 12 HG22 ILE 2 2HG2 ILE 2 -0.338 5.270 -4.212 13 HG23 ILE 2 3HG2 ILE 2 0.860 4.201 -3.463 14 HD11 ILE 2 3HD1 ILE 2 -3.115 4.487 -4.948 15 HD12 ILE 2 1HD1 ILE 2 -1.927 5.333 -5.977 16 HD13 ILE 2 2HD1 ILE 2 -3.171 4.304 -6.712 17 H VAL 3 H VAL 3 2.458 2.496 -4.282 18 HA VAL 3 HA VAL 3 3.022 2.433 -7.085 19 HB VAL 3 HB VAL 3 4.256 3.894 -5.578 20 HG11 VAL 3 1HG1 VAL 3 5.906 3.094 -3.991 21 HG12 VAL 3 2HG1 VAL 3 4.320 2.412 -3.586 22 HG13 VAL 3 3HG1 VAL 3 5.546 1.406 -4.400 23 HG21 VAL 3 3HG2 VAL 3 6.117 1.838 -6.848 24 HG22 VAL 3 1HG2 VAL 3 5.289 3.147 -7.717 25 HG23 VAL 3 2HG2 VAL 3 6.496 3.539 -6.474 26 H GLU 4 H GLU 4 3.407 -0.027 -4.508 27 HA GLU 4 HA GLU 4 4.856 -1.847 -6.256 28 HB2 GLU 4 1HB GLU 4 3.217 -2.323 -3.733 29 HB3 GLU 4 2HB GLU 4 4.060 -3.596 -4.613 30 HG2 GLU 4 1HG GLU 4 5.529 -3.057 -2.887 31 HG3 GLU 4 2HG GLU 4 6.194 -2.219 -4.295 32 HE2 GLU 4 HE2 GLU 4 7.191 -0.973 -2.975 33 H GLN 5 H GLN 5 1.444 -1.347 -5.322 34 HA GLN 5 HA GLN 5 0.339 -3.558 -6.697 35 HB2 GLN 5 1HB GLN 5 -0.585 -1.016 -5.535 36 HB3 GLN 5 2HB GLN 5 -1.564 -1.548 -6.901 37 HG2 GLN 5 1HG GLN 5 -2.516 -2.363 -4.810 38 HG3 GLN 5 2HG GLN 5 -1.958 -3.712 -5.808 39 HE21 GLN 5 2HE2 GLN 5 -0.925 -5.253 -4.765 40 HE22 GLN 5 1HE2 GLN 5 -0.024 -5.064 -3.280 41 H CYS 6 H CYS 6 1.146 -0.274 -7.892 42 HA CYS 6 HA CYS 6 0.076 -0.914 -10.534 43 HB2 CYS 6 1HB CYS 6 1.598 1.402 -9.344 44 HB3 CYS 6 2HB CYS 6 1.376 1.262 -11.097 45 H CYS 7 H CYS 7 3.286 -1.007 -9.007 46 HA CYS 7 HA CYS 7 4.690 -1.163 -11.510 47 HB2 CYS 7 1HB CYS 7 5.612 -0.400 -9.287 48 HB3 CYS 7 2HB CYS 7 5.625 -2.088 -8.777 49 H THR 8 H THR 8 3.932 -3.646 -8.999 50 HA THR 8 HA THR 8 5.018 -5.712 -10.784 51 HB THR 8 HB THR 8 5.359 -5.536 -8.208 52 HG1 THR 8 HG1 THR 8 4.638 -7.941 -9.555 53 HG21 THR 8 1HG2 THR 8 2.820 -7.211 -8.186 54 HG22 THR 8 2HG2 THR 8 2.845 -5.500 -7.707 55 HG23 THR 8 3HG2 THR 8 3.803 -6.689 -6.804 56 H SER 9 H SER 9 1.895 -4.414 -10.089 57 HA SER 9 HA SER 9 0.714 -6.650 -11.640 58 HB2 SER 9 1HB SER 9 -1.270 -6.614 -10.022 59 HB3 SER 9 2HB SER 9 0.223 -7.328 -9.393 60 HG SER 9 HG SER 9 -0.295 -4.587 -8.956 61 H ILE 10 H ILE 10 -1.914 -5.812 -11.731 62 HA ILE 10 HA ILE 10 -1.400 -3.890 -13.813 63 HB ILE 10 HB ILE 10 -3.973 -5.149 -12.805 64 HG12 ILE 10 1HG1 ILE 10 -2.325 -6.713 -13.784 65 HG13 ILE 10 2HG1 ILE 10 -3.807 -6.602 -14.725 66 HG21 ILE 10 1HG2 ILE 10 -4.958 -4.377 -15.005 67 HG22 ILE 10 2HG2 ILE 10 -4.639 -3.081 -13.840 68 HG23 ILE 10 3HG2 ILE 10 -3.528 -3.329 -15.208 69 HD11 ILE 10 3HD1 ILE 10 -1.201 -5.202 -15.442 70 HD12 ILE 10 1HD1 ILE 10 -1.785 -6.721 -16.144 71 HD13 ILE 10 2HD1 ILE 10 -2.684 -5.223 -16.406 72 H CYS 11 H CYS 11 -1.394 -1.814 -13.797 73 HA CYS 11 HA CYS 11 -2.606 -0.354 -11.522 74 HB2 CYS 11 1HB CYS 11 -0.245 0.028 -12.507 75 HB3 CYS 11 2HB CYS 11 -1.067 0.763 -13.872 76 H SER 12 H SER 12 -4.809 -0.393 -11.923 77 HA SER 12 HA SER 12 -5.888 0.017 -14.604 78 HB2 SER 12 1HB SER 12 -8.058 0.001 -13.464 79 HB3 SER 12 2HB SER 12 -7.051 -1.338 -12.871 80 HG SER 12 HG SER 12 -7.812 -0.405 -11.061 81 H LEU 13 H LEU 13 -7.486 1.873 -14.982 82 HA LEU 13 HA LEU 13 -6.155 4.352 -14.621 83 HB2 LEU 13 1HB LEU 13 -8.053 5.376 -15.620 84 HB3 LEU 13 2HB LEU 13 -7.762 3.845 -16.425 85 HG LEU 13 HG LEU 13 -9.652 3.058 -14.636 86 HD11 LEU 13 1HD1 LEU 13 -10.006 5.298 -13.700 87 HD12 LEU 13 2HD1 LEU 13 -11.432 4.799 -14.625 88 HD13 LEU 13 3HD1 LEU 13 -10.286 5.963 -15.329 89 HD21 LEU 13 3HD2 LEU 13 -10.144 4.361 -17.339 90 HD22 LEU 13 1HD2 LEU 13 -11.244 3.244 -16.501 91 HD23 LEU 13 2HD2 LEU 13 -9.661 2.669 -17.059 92 H TYR 14 H TYR 14 -8.477 2.663 -12.596 93 HA TYR 14 HA TYR 14 -9.246 4.905 -10.991 94 HB2 TYR 14 1HB TYR 14 -9.074 2.021 -10.107 95 HB3 TYR 14 2HB TYR 14 -10.183 3.267 -9.531 96 HD1 TYR 14 HD2 TYR 14 -11.771 4.296 -11.457 97 HD2 TYR 14 HD1 TYR 14 -9.805 0.473 -11.679 98 HE1 TYR 14 HE2 TYR 14 -13.400 3.552 -13.201 99 HE2 TYR 14 HE1 TYR 14 -11.435 -0.258 -13.433 100 HH TYR 14 HH TYR 14 -13.305 0.298 -14.647 101 H GLN 15 H GLN 15 -6.613 2.525 -10.819 102 HA GLN 15 HA GLN 15 -5.604 3.396 -8.249 103 HB2 GLN 15 1HB GLN 15 -4.254 1.993 -10.588 104 HB3 GLN 15 2HB GLN 15 -3.504 2.247 -9.012 105 HG2 GLN 15 1HG GLN 15 -6.117 0.735 -9.339 106 HG3 GLN 15 2HG GLN 15 -4.534 -0.051 -9.453 107 HE21 GLN 15 2HE2 GLN 15 -7.018 0.714 -7.371 108 HE22 GLN 15 1HE2 GLN 15 -6.150 0.566 -5.864 109 H LEU 16 H LEU 16 -5.022 4.283 -11.666 110 HA LEU 16 HA LEU 16 -2.907 6.127 -11.119 111 HB2 LEU 16 1HB LEU 16 -4.899 5.950 -13.380 112 HB3 LEU 16 2HB LEU 16 -3.580 7.115 -13.348 113 HG LEU 16 HG LEU 16 -3.157 4.112 -13.182 114 HD11 LEU 16 1HD1 LEU 16 -4.217 4.709 -15.322 115 HD12 LEU 16 2HD1 LEU 16 -2.541 4.181 -15.529 116 HD13 LEU 16 3HD1 LEU 16 -2.938 5.912 -15.613 117 HD21 LEU 16 3HD2 LEU 16 -1.288 5.470 -12.323 118 HD22 LEU 16 1HD2 LEU 16 -1.260 6.399 -13.840 119 HD23 LEU 16 2HD2 LEU 16 -0.858 4.670 -13.841 120 H GLU 17 H GLU 17 -6.465 6.551 -11.133 121 HA GLU 17 HA GLU 17 -6.461 9.386 -10.844 122 HB2 GLU 17 1HB GLU 17 -8.381 7.230 -9.930 123 HB3 GLU 17 2HB GLU 17 -8.691 8.944 -9.660 124 HG2 GLU 17 1HG GLU 17 -8.665 9.375 -12.041 125 HG3 GLU 17 2HG GLU 17 -8.248 7.701 -12.379 126 HE2 GLU 17 HE2 GLU 17 -11.931 8.703 -12.015 127 H ASN 18 H ASN 18 -5.724 6.861 -8.500 128 HA ASN 18 HA ASN 18 -6.185 8.528 -6.171 129 HB2 ASN 18 1HB ASN 18 -4.862 5.887 -6.665 130 HB3 ASN 18 2HB ASN 18 -4.528 6.740 -5.158 131 HD21 ASN 18 2HD2 ASN 18 -7.295 5.741 -7.210 132 HD22 ASN 18 1HD2 ASN 18 -8.326 5.364 -5.850 133 H TYR 19 H TYR 19 -3.491 8.191 -8.410 134 HA TYR 19 HA TYR 19 -1.523 9.474 -6.634 135 HB2 TYR 19 1HB TYR 19 -1.626 8.940 -9.596 136 HB3 TYR 19 2HB TYR 19 -0.256 9.697 -8.816 137 HD1 TYR 19 HD1 TYR 19 1.262 8.407 -7.379 138 HD2 TYR 19 HD2 TYR 19 -2.035 6.551 -9.390 139 HE1 TYR 19 HE1 TYR 19 2.293 6.173 -7.024 140 HE2 TYR 19 HE2 TYR 19 -1.008 4.322 -9.039 141 HH TYR 19 HH TYR 19 0.720 3.161 -8.149 142 H CYS 20 H CYS 20 -4.202 10.520 -8.478 143 HA CYS 20 HA CYS 20 -3.054 12.824 -9.746 144 HB2 CYS 20 1HB CYS 20 -5.276 11.436 -10.175 145 HB3 CYS 20 2HB CYS 20 -5.973 12.648 -9.098 146 H ASN 21 H ASN 21 -3.289 15.027 -9.239 147 HA ASN 21 HA ASN 21 -3.019 15.605 -6.429 148 HB2 ASN 21 1HB ASN 21 -1.969 16.948 -8.367 149 HB3 ASN 21 2HB ASN 21 -3.556 17.684 -8.597 150 HD21 ASN 21 2HD2 ASN 21 -3.715 19.599 -7.618 151 HD22 ASN 21 1HD2 ASN 21 -2.961 20.011 -6.100 152 HXT ASN 21 H02 ASN 21 -6.729 16.310 -7.171 153 H1 PHE 1 3H0 PHE 1 -9.782 2.468 -21.821 154 H2 PHE 1 2H0 PHE 1 -9.160 3.976 -22.077 155 H3 PHE 1 1H0 PHE 1 -8.878 2.768 -23.166 156 HA PHE 1 HA PHE 1 -6.913 3.136 -21.859 157 HB2 PHE 1 1HB PHE 1 -8.324 3.983 -19.901 158 HB3 PHE 1 2HB PHE 1 -8.629 2.292 -19.495 159 HD1 PHE 1 HD2 PHE 1 -5.921 4.842 -19.925 160 HD2 PHE 1 HD1 PHE 1 -7.022 1.027 -18.250 161 HE1 PHE 1 HE2 PHE 1 -3.776 4.778 -18.668 162 HE2 PHE 1 HE1 PHE 1 -4.871 0.962 -16.988 163 HZ PHE 1 HZ PHE 1 -3.242 2.830 -17.211 164 H VAL 2 H VAL 2 -5.528 1.282 -21.192 165 HA VAL 2 HA VAL 2 -6.865 -1.359 -21.518 166 HB VAL 2 HB VAL 2 -5.866 -0.665 -23.736 167 HG11 VAL 2 1HG1 VAL 2 -3.446 -0.541 -24.030 168 HG12 VAL 2 2HG1 VAL 2 -3.967 0.688 -22.861 169 HG13 VAL 2 3HG1 VAL 2 -3.184 -0.808 -22.294 170 HG21 VAL 2 3HG2 VAL 2 -4.697 -2.757 -24.172 171 HG22 VAL 2 1HG2 VAL 2 -4.410 -3.008 -22.436 172 HG23 VAL 2 2HG2 VAL 2 -6.070 -3.060 -23.091 173 H ASN 3 H ASN 3 -5.854 -2.994 -20.255 174 HA ASN 3 HA ASN 3 -4.516 -1.928 -17.935 175 HB2 ASN 3 1HB ASN 3 -4.345 -4.197 -17.154 176 HB3 ASN 3 2HB ASN 3 -5.995 -3.921 -17.759 177 HD21 ASN 3 2HD2 ASN 3 -6.581 -4.949 -19.780 178 HD22 ASN 3 1HD2 ASN 3 -5.675 -6.328 -20.346 179 H GLN 4 H GLN 4 -2.469 -1.995 -17.296 180 HA GLN 4 HA GLN 4 -0.539 -3.740 -18.525 181 HB2 GLN 4 1HB GLN 4 1.029 -1.804 -19.097 182 HB3 GLN 4 2HB GLN 4 -0.288 -2.114 -20.227 183 HG2 GLN 4 1HG GLN 4 -1.586 -0.257 -19.140 184 HG3 GLN 4 2HG GLN 4 -0.146 0.123 -18.198 185 HE21 GLN 4 2HE2 GLN 4 -1.857 0.719 -20.999 186 HE22 GLN 4 1HE2 GLN 4 -0.595 1.509 -21.920 187 H HIS 5 H HIS 5 1.243 -3.903 -17.163 188 HA HIS 5 HA HIS 5 1.071 -2.809 -14.446 189 HB2 HIS 5 1HB HIS 5 3.479 -4.002 -15.896 190 HB3 HIS 5 2HB HIS 5 3.306 -3.762 -14.154 191 HD1 HIS 5 HD1 HIS 5 0.707 -5.015 -13.447 192 HD2 HIS 5 HD2 HIS 5 3.224 -6.687 -16.277 193 HE1 HIS 5 HE1 HIS 5 0.103 -7.504 -13.615 194 HE2 HIS 5 HE2 HIS 5 1.657 -8.491 -15.339 195 H LEU 6 H LEU 6 2.222 -0.962 -13.677 196 HA LEU 6 HA LEU 6 3.654 0.632 -15.765 197 HB2 LEU 6 1HB LEU 6 1.374 1.532 -13.990 198 HB3 LEU 6 2HB LEU 6 2.476 2.648 -14.776 199 HG LEU 6 HG LEU 6 0.706 0.700 -16.268 200 HD11 LEU 6 1HD1 LEU 6 -0.662 2.326 -15.094 201 HD12 LEU 6 2HD1 LEU 6 -0.631 2.716 -16.819 202 HD13 LEU 6 3HD1 LEU 6 0.360 3.651 -15.675 203 HD21 LEU 6 3HD2 LEU 6 1.240 2.227 -18.194 204 HD22 LEU 6 1HD2 LEU 6 2.642 1.334 -17.588 205 HD23 LEU 6 2HD2 LEU 6 2.420 3.052 -17.161 206 H CYS 7 H CYS 7 5.596 1.127 -15.057 207 HA CYS 7 HA CYS 7 5.929 1.944 -12.226 208 HB2 CYS 7 1HB CYS 7 6.433 -0.604 -12.833 209 HB3 CYS 7 2HB CYS 7 7.938 0.072 -13.465 210 H GLY 8 H GLY 8 7.989 3.140 -11.932 211 HA2 GLY 8 1HA GLY 8 9.544 4.701 -12.618 212 HA3 GLY 8 2HA GLY 8 9.738 3.722 -14.081 213 H SER 9 H SER 9 9.946 5.422 -15.510 214 HA SER 9 HA SER 9 8.309 7.712 -15.623 215 HB2 SER 9 1HB SER 9 9.167 6.807 -18.244 216 HB3 SER 9 2HB SER 9 9.765 8.173 -17.266 217 HG SER 9 HG SER 9 11.450 6.734 -17.493 218 H HIS 10 H HIS 10 7.644 4.429 -16.793 219 HA HIS 10 HA HIS 10 5.597 5.147 -18.681 220 HB2 HIS 10 1HB HIS 10 6.473 2.695 -17.264 221 HB3 HIS 10 2HB HIS 10 4.762 2.730 -17.683 222 HD1 HIS 10 HD1 HIS 10 4.098 2.490 -20.176 223 HD2 HIS 10 HD2 HIS 10 8.239 2.665 -19.512 224 HE1 HIS 10 HE1 HIS 10 5.233 1.850 -22.369 225 HE2 HIS 10 HE2 HIS 10 7.726 1.960 -21.950 226 H LEU 11 H LEU 11 5.583 4.664 -15.155 227 HA LEU 11 HA LEU 11 2.718 4.739 -14.873 228 HB2 LEU 11 1HB LEU 11 4.306 3.859 -13.173 229 HB3 LEU 11 2HB LEU 11 4.939 5.476 -12.936 230 HG LEU 11 HG LEU 11 2.789 6.201 -11.984 231 HD11 LEU 11 1HD1 LEU 11 2.001 3.277 -12.247 232 HD12 LEU 11 2HD1 LEU 11 1.278 4.640 -13.132 233 HD13 LEU 11 3HD1 LEU 11 1.094 4.536 -11.374 234 HD21 LEU 11 3HD2 LEU 11 3.047 4.996 -9.880 235 HD22 LEU 11 1HD2 LEU 11 4.647 5.273 -10.600 236 HD23 LEU 11 2HD2 LEU 11 3.894 3.664 -10.705 237 H VAL 12 H VAL 12 5.298 7.188 -14.700 238 HA VAL 12 HA VAL 12 3.628 9.377 -13.990 239 HB VAL 12 HB VAL 12 6.253 9.360 -15.561 240 HG11 VAL 12 1HG1 VAL 12 5.085 11.520 -15.727 241 HG12 VAL 12 2HG1 VAL 12 4.955 11.589 -13.958 242 HG13 VAL 12 3HG1 VAL 12 6.551 11.653 -14.738 243 HG21 VAL 12 3HG2 VAL 12 6.532 8.208 -13.422 244 HG22 VAL 12 1HG2 VAL 12 7.290 9.805 -13.318 245 HG23 VAL 12 2HG2 VAL 12 5.703 9.527 -12.564 246 H GLU 13 H GLU 13 4.640 8.128 -17.201 247 HA GLU 13 HA GLU 13 3.415 10.240 -18.699 248 HB2 GLU 13 1HB GLU 13 4.168 7.385 -19.363 249 HB3 GLU 13 2HB GLU 13 3.427 8.467 -20.551 250 HG2 GLU 13 1HG GLU 13 6.029 9.015 -19.087 251 HG3 GLU 13 2HG GLU 13 5.888 8.412 -20.742 252 HE2 GLU 13 HE2 GLU 13 5.856 12.174 -20.123 253 H ALA 14 H ALA 14 2.124 7.246 -17.316 254 HA ALA 14 HA ALA 14 -0.335 7.348 -18.836 255 HB1 ALA 14 3HB ALA 14 -1.085 5.642 -17.269 256 HB2 ALA 14 1HB ALA 14 0.578 5.289 -17.798 257 HB3 ALA 14 2HB ALA 14 0.284 5.995 -16.190 258 H LEU 15 H LEU 15 0.813 8.670 -15.748 259 HA LEU 15 HA LEU 15 -1.761 9.438 -14.769 260 HB2 LEU 15 1HB LEU 15 1.037 10.450 -14.222 261 HB3 LEU 15 2HB LEU 15 -0.383 11.086 -13.398 262 HG LEU 15 HG LEU 15 0.410 8.167 -13.324 263 HD11 LEU 15 1HD1 LEU 15 2.136 9.580 -12.244 264 HD12 LEU 15 2HD1 LEU 15 1.254 8.565 -11.083 265 HD13 LEU 15 3HD1 LEU 15 0.874 10.296 -11.215 266 HD21 LEU 15 3HD2 LEU 15 -1.525 9.813 -11.690 267 HD22 LEU 15 1HD2 LEU 15 -1.156 8.083 -11.475 268 HD23 LEU 15 2HD2 LEU 15 -1.959 8.633 -12.943 269 H TYR 16 H TYR 16 0.482 11.028 -17.014 270 HA TYR 16 HA TYR 16 -0.819 13.585 -16.977 271 HB2 TYR 16 1HB TYR 16 0.786 12.107 -19.080 272 HB3 TYR 16 2HB TYR 16 0.023 13.662 -19.422 273 HD1 TYR 16 HD1 TYR 16 0.576 15.662 -17.862 274 HD2 TYR 16 HD2 TYR 16 2.940 12.078 -18.045 275 HE1 TYR 16 HE1 TYR 16 2.508 16.875 -16.850 276 HE2 TYR 16 HE2 TYR 16 4.876 13.308 -17.067 277 HH TYR 16 HH TYR 16 5.645 15.297 -16.239 278 H LEU 17 H LEU 17 -1.569 10.539 -18.663 279 HA LEU 17 HA LEU 17 -3.594 11.742 -20.341 280 HB2 LEU 17 1HB LEU 17 -3.302 8.872 -19.414 281 HB3 LEU 17 2HB LEU 17 -4.326 9.450 -20.717 282 HG LEU 17 HG LEU 17 -1.293 9.605 -20.720 283 HD11 LEU 17 1HD1 LEU 17 -2.096 7.272 -20.675 284 HD12 LEU 17 2HD1 LEU 17 -1.379 7.683 -22.246 285 HD13 LEU 17 3HD1 LEU 17 -3.149 7.607 -22.074 286 HD21 LEU 17 3HD2 LEU 17 -1.578 9.976 -23.158 287 HD22 LEU 17 1HD2 LEU 17 -2.312 11.271 -22.196 288 HD23 LEU 17 2HD2 LEU 17 -3.344 10.023 -22.934 289 H VAL 18 H VAL 18 -3.665 10.036 -17.208 290 HA VAL 18 HA VAL 18 -6.564 9.937 -17.152 291 HB VAL 18 HB VAL 18 -4.494 9.464 -14.950 292 HG11 VAL 18 1HG1 VAL 18 -6.313 8.182 -13.815 293 HG12 VAL 18 2HG1 VAL 18 -6.681 9.913 -13.936 294 HG13 VAL 18 3HG1 VAL 18 -7.465 8.761 -15.046 295 HG21 VAL 18 3HG2 VAL 18 -5.904 7.631 -16.930 296 HG22 VAL 18 1HG2 VAL 18 -4.156 7.887 -16.726 297 HG23 VAL 18 2HG2 VAL 18 -5.080 7.040 -15.478 298 H CYS 19 H CYS 19 -4.093 12.017 -15.615 299 HA CYS 19 HA CYS 19 -6.187 13.555 -14.253 300 HB2 CYS 19 1HB CYS 19 -3.195 13.951 -14.554 301 HB3 CYS 19 2HB CYS 19 -4.254 15.001 -13.594 302 H GLY 20 H GLY 20 -4.538 13.631 -17.363 303 HA2 GLY 20 1HA GLY 20 -4.768 15.137 -19.097 304 HA3 GLY 20 2HA GLY 20 -6.187 15.804 -18.262 305 H GLU 21 H GLU 21 -5.588 17.936 -18.770 306 HA GLU 21 HA GLU 21 -3.055 19.075 -18.121 307 HB2 GLU 21 1HB GLU 21 -4.100 21.194 -18.581 308 HB3 GLU 21 2HB GLU 21 -4.663 20.001 -19.755 309 HG2 GLU 21 1HG GLU 21 -6.773 19.748 -18.429 310 HG3 GLU 21 2HG GLU 21 -6.208 21.024 -17.340 311 HE2 GLU 21 HE2 GLU 21 -7.220 21.982 -21.051 312 H ARG 22 H ARG 22 -5.394 18.002 -15.924 313 HA ARG 22 HA ARG 22 -5.276 20.201 -14.025 314 HB2 ARG 22 1HB ARG 22 -6.021 17.282 -13.653 315 HB3 ARG 22 2HB ARG 22 -6.269 18.553 -12.455 316 HG2 ARG 22 1HG ARG 22 -7.844 19.704 -13.892 317 HG3 ARG 22 2HG ARG 22 -7.522 18.582 -15.227 318 HD2 ARG 22 1HD ARG 22 -8.665 17.740 -12.543 319 HD3 ARG 22 2HD ARG 22 -9.645 18.120 -13.976 320 HE ARG 22 HE ARG 22 -7.665 16.200 -14.699 321 HH11 ARG 22 1HH1 ARG 22 -10.626 16.363 -12.778 322 HH12 ARG 22 2HH1 ARG 22 -10.997 14.682 -13.042 323 HH21 ARG 22 1HH2 ARG 22 -8.209 14.065 -14.996 324 HH22 ARG 22 2HH2 ARG 22 -9.639 13.403 -14.261 325 H GLY 23 H GLY 23 -3.192 17.519 -14.783 326 HA2 GLY 23 1HA GLY 23 -1.031 17.198 -14.015 327 HA3 GLY 23 2HA GLY 23 -1.244 18.535 -12.883 328 H PHE 24 H PHE 24 0.198 16.649 -11.921 329 HA PHE 24 HA PHE 24 -1.335 15.418 -9.770 330 HB2 PHE 24 1HB PHE 24 -0.566 13.131 -10.255 331 HB3 PHE 24 2HB PHE 24 -1.637 13.720 -11.525 332 HD1 PHE 24 HD2 PHE 24 -0.776 14.307 -13.752 333 HD2 PHE 24 HD1 PHE 24 1.770 12.689 -10.701 334 HE1 PHE 24 HE2 PHE 24 0.958 13.824 -15.455 335 HE2 PHE 24 HE1 PHE 24 3.507 12.196 -12.390 336 HZ PHE 24 HZ PHE 24 3.106 12.772 -14.791 337 H PHE 25 H PHE 25 0.533 14.003 -8.556 338 HA PHE 25 HA PHE 25 3.117 15.469 -8.873 339 HB2 PHE 25 1HB PHE 25 3.368 15.459 -6.430 340 HB3 PHE 25 2HB PHE 25 1.934 16.378 -6.909 341 HD1 PHE 25 HD1 PHE 25 -0.330 15.546 -6.412 342 HD2 PHE 25 HD2 PHE 25 3.168 13.330 -5.236 343 HE1 PHE 25 HE1 PHE 25 -1.736 14.126 -4.928 344 HE2 PHE 25 HE2 PHE 25 1.775 11.914 -3.741 345 HZ PHE 25 HZ PHE 25 -0.683 12.298 -3.596 346 H TYR 26 H TYR 26 4.961 14.156 -8.086 347 HA TYR 26 HA TYR 26 4.380 11.290 -7.702 348 HB2 TYR 26 1HB TYR 26 4.582 11.630 -10.175 349 HB3 TYR 26 2HB TYR 26 6.207 12.288 -9.923 350 HD1 TYR 26 HD2 TYR 26 4.115 9.233 -9.238 351 HD2 TYR 26 HD1 TYR 26 8.072 10.802 -9.882 352 HE1 TYR 26 HE2 TYR 26 5.036 6.923 -9.240 353 HE2 TYR 26 HE1 TYR 26 8.980 8.472 -9.917 354 HH TYR 26 HH TYR 26 6.883 5.617 -9.442 355 H THR 27 H THR 27 5.968 10.273 -6.521 356 HA THR 27 HA THR 27 8.226 12.000 -5.636 357 HB THR 27 HB THR 27 6.956 12.020 -3.731 358 HG1 THR 27 HG1 THR 27 8.174 10.915 -2.390 359 HG21 THR 27 1HG2 THR 27 5.715 9.971 -2.915 360 HG22 THR 27 2HG2 THR 27 6.071 9.232 -4.493 361 HG23 THR 27 3HG2 THR 27 5.086 10.715 -4.399 362 HA PRO 28 HA PRO 28 10.101 8.227 -7.327 363 HB2 PRO 28 1HB PRO 28 12.398 9.355 -8.250 364 HB3 PRO 28 2HB PRO 28 10.835 9.569 -9.101 365 HG2 PRO 28 1HG PRO 28 12.240 11.427 -7.214 366 HG3 PRO 28 2HG PRO 28 11.460 11.783 -8.786 367 HD2 PRO 28 1HD PRO 28 10.262 12.193 -6.334 368 HD3 PRO 28 2HD PRO 28 9.323 11.842 -7.822 369 H LYS 29 H LYS 29 11.931 6.934 -6.650 370 HA LYS 29 HA LYS 29 12.963 7.730 -3.972 371 HB2 LYS 29 1HB LYS 29 12.844 5.076 -5.442 372 HB3 LYS 29 2HB LYS 29 13.749 5.319 -3.937 373 HG2 LYS 29 1HG LYS 29 11.699 6.021 -2.795 374 HG3 LYS 29 2HG LYS 29 10.775 5.791 -4.292 375 HD2 LYS 29 1HD LYS 29 11.198 3.415 -4.266 376 HD3 LYS 29 2HD LYS 29 12.356 3.583 -2.927 377 HE2 LYS 29 1HE LYS 29 10.157 2.757 -2.136 378 HE3 LYS 29 2HE LYS 29 10.581 4.325 -1.424 379 HZ1 LYS 29 3HZ LYS 29 8.738 3.946 -3.715 380 HZ2 LYS 29 1HZ LYS 29 9.141 5.397 -3.044 381 HZ3 LYS 29 2HZ LYS 29 8.286 4.295 -2.166 382 H THR 30 H THR 30 14.609 9.058 -4.287 383 HA THR 30 HA THR 30 16.624 8.573 -6.363 384 HB THR 30 HB THR 30 17.615 10.684 -5.252 385 HG1 THR 30 HG1 THR 30 16.123 11.716 -3.810 386 HG21 THR 30 1HG2 THR 30 15.862 12.183 -6.185 387 HG22 THR 30 2HG2 THR 30 14.664 10.881 -6.148 388 HG23 THR 30 3HG2 THR 30 16.042 10.794 -7.263 389 HXT THR 30 H02 THR 30 19.221 7.649 -4.411 Start of MODEL 39 1 H1 GLY 1 3H0 GLY 1 1.623 -2.234 -1.982 2 H2 GLY 1 2H0 GLY 1 0.978 -2.071 -0.472 3 H3 GLY 1 1H0 GLY 1 -0.013 -2.241 -1.781 4 HA2 GLY 1 1HA GLY 1 0.013 0.029 -1.032 5 HA3 GLY 1 2HA GLY 1 1.772 0.039 -1.274 6 H ILE 2 H ILE 2 -0.056 1.841 -2.565 7 HA ILE 2 HA ILE 2 -1.056 0.886 -4.996 8 HB ILE 2 HB ILE 2 -1.693 3.010 -3.835 9 HG12 ILE 2 1HG1 ILE 2 -0.972 3.287 -6.767 10 HG13 ILE 2 2HG1 ILE 2 -2.370 2.420 -6.139 11 HG21 ILE 2 1HG2 ILE 2 0.672 3.859 -3.433 12 HG22 ILE 2 2HG2 ILE 2 0.762 4.269 -5.165 13 HG23 ILE 2 3HG2 ILE 2 -0.430 5.066 -4.117 14 HD11 ILE 2 3HD1 ILE 2 -3.192 4.567 -5.142 15 HD12 ILE 2 1HD1 ILE 2 -1.842 5.409 -5.949 16 HD13 ILE 2 2HD1 ILE 2 -3.077 4.581 -6.914 17 H VAL 3 H VAL 3 2.213 2.207 -4.382 18 HA VAL 3 HA VAL 3 2.848 2.306 -7.170 19 HB VAL 3 HB VAL 3 4.103 3.632 -5.553 20 HG11 VAL 3 1HG1 VAL 3 5.286 1.034 -4.497 21 HG12 VAL 3 2HG1 VAL 3 5.686 2.681 -3.977 22 HG13 VAL 3 3HG1 VAL 3 4.070 2.026 -3.650 23 HG21 VAL 3 3HG2 VAL 3 6.359 3.223 -6.416 24 HG22 VAL 3 1HG2 VAL 3 5.903 1.579 -6.919 25 HG23 VAL 3 2HG2 VAL 3 5.162 2.986 -7.710 26 H GLU 4 H GLU 4 3.189 -0.300 -4.718 27 HA GLU 4 HA GLU 4 4.638 -2.041 -6.498 28 HB2 GLU 4 1HB GLU 4 2.790 -2.660 -4.156 29 HB3 GLU 4 2HB GLU 4 3.686 -3.880 -5.056 30 HG2 GLU 4 1HG GLU 4 5.016 -3.505 -3.194 31 HG3 GLU 4 2HG GLU 4 5.797 -2.563 -4.470 32 HE2 GLU 4 HE2 GLU 4 6.691 -1.479 -2.895 33 H GLN 5 H GLN 5 1.174 -1.528 -5.793 34 HA GLN 5 HA GLN 5 0.187 -3.636 -7.406 35 HB2 GLN 5 1HB GLN 5 -0.999 -0.971 -6.584 36 HB3 GLN 5 2HB GLN 5 -1.917 -2.205 -7.457 37 HG2 GLN 5 1HG GLN 5 -1.916 -3.690 -5.650 38 HG3 GLN 5 2HG GLN 5 -0.490 -2.958 -4.909 39 HE21 GLN 5 2HE2 GLN 5 -3.772 -1.883 -5.892 40 HE22 GLN 5 1HE2 GLN 5 -4.099 -1.042 -4.396 41 H CYS 6 H CYS 6 1.087 -0.276 -8.312 42 HA CYS 6 HA CYS 6 0.102 -0.734 -11.033 43 HB2 CYS 6 1HB CYS 6 1.812 1.526 -9.955 44 HB3 CYS 6 2HB CYS 6 0.988 1.486 -11.515 45 H CYS 7 H CYS 7 3.217 -0.991 -9.371 46 HA CYS 7 HA CYS 7 4.714 -1.078 -11.854 47 HB2 CYS 7 1HB CYS 7 5.419 -1.799 -9.003 48 HB3 CYS 7 2HB CYS 7 6.551 -1.947 -10.353 49 H THR 8 H THR 8 3.625 -3.594 -9.490 50 HA THR 8 HA THR 8 4.765 -5.661 -11.246 51 HB THR 8 HB THR 8 4.880 -5.684 -8.668 52 HG1 THR 8 HG1 THR 8 4.013 -7.904 -10.224 53 HG21 THR 8 1HG2 THR 8 3.100 -6.575 -7.421 54 HG22 THR 8 2HG2 THR 8 2.221 -7.117 -8.868 55 HG23 THR 8 3HG2 THR 8 2.294 -5.388 -8.463 56 H SER 9 H SER 9 1.687 -4.155 -10.847 57 HA SER 9 HA SER 9 0.563 -6.181 -12.698 58 HB2 SER 9 1HB SER 9 -0.213 -6.634 -10.290 59 HB3 SER 9 2HB SER 9 -1.046 -5.066 -10.353 60 HG SER 9 HG SER 9 -2.307 -6.985 -10.972 61 H ILE 10 H ILE 10 -1.976 -4.904 -13.016 62 HA ILE 10 HA ILE 10 -0.973 -2.323 -14.169 63 HB ILE 10 HB ILE 10 -3.198 -4.144 -15.224 64 HG12 ILE 10 1HG1 ILE 10 -1.266 -3.626 -17.202 65 HG13 ILE 10 2HG1 ILE 10 -0.317 -3.906 -15.756 66 HG21 ILE 10 1HG2 ILE 10 -2.054 -1.530 -16.307 67 HG22 ILE 10 2HG2 ILE 10 -3.250 -2.565 -17.123 68 HG23 ILE 10 3HG2 ILE 10 -3.685 -1.748 -15.618 69 HD11 ILE 10 3HD1 ILE 10 -0.549 -5.979 -16.971 70 HD12 ILE 10 1HD1 ILE 10 -1.503 -6.105 -15.471 71 HD13 ILE 10 2HD1 ILE 10 -2.324 -5.802 -17.020 72 H CYS 11 H CYS 11 -1.680 -0.584 -13.211 73 HA CYS 11 HA CYS 11 -4.102 -0.638 -11.547 74 HB2 CYS 11 1HB CYS 11 -2.026 1.456 -12.254 75 HB3 CYS 11 2HB CYS 11 -3.520 1.878 -11.408 76 H SER 12 H SER 12 -6.069 -0.011 -12.188 77 HA SER 12 HA SER 12 -6.558 0.752 -14.963 78 HB2 SER 12 1HB SER 12 -8.911 0.899 -14.201 79 HB3 SER 12 2HB SER 12 -8.169 -0.626 -13.672 80 HG SER 12 HG SER 12 -9.221 0.242 -11.923 81 H LEU 13 H LEU 13 -7.906 2.822 -15.351 82 HA LEU 13 HA LEU 13 -6.381 5.057 -14.554 83 HB2 LEU 13 1HB LEU 13 -8.007 6.410 -15.633 84 HB3 LEU 13 2HB LEU 13 -7.805 4.936 -16.563 85 HG LEU 13 HG LEU 13 -9.987 4.276 -15.044 86 HD11 LEU 13 1HD1 LEU 13 -10.148 6.526 -14.045 87 HD12 LEU 13 2HD1 LEU 13 -11.524 6.220 -15.120 88 HD13 LEU 13 3HD1 LEU 13 -10.189 7.258 -15.668 89 HD21 LEU 13 3HD2 LEU 13 -11.293 4.731 -17.073 90 HD22 LEU 13 1HD2 LEU 13 -9.728 3.991 -17.471 91 HD23 LEU 13 2HD2 LEU 13 -9.972 5.740 -17.709 92 H TYR 14 H TYR 14 -9.231 3.612 -13.021 93 HA TYR 14 HA TYR 14 -9.826 5.805 -11.296 94 HB2 TYR 14 1HB TYR 14 -10.248 2.874 -10.674 95 HB3 TYR 14 2HB TYR 14 -11.208 4.252 -10.125 96 HD1 TYR 14 HD2 TYR 14 -12.503 5.596 -11.960 97 HD2 TYR 14 HD1 TYR 14 -10.817 1.693 -12.631 98 HE1 TYR 14 HE2 TYR 14 -13.990 5.286 -13.942 99 HE2 TYR 14 HE1 TYR 14 -12.291 1.406 -14.633 100 HH TYR 14 HH TYR 14 -14.635 3.890 -15.641 101 H GLN 15 H GLN 15 -7.657 3.000 -10.984 102 HA GLN 15 HA GLN 15 -6.936 3.536 -8.229 103 HB2 GLN 15 1HB GLN 15 -5.502 2.039 -10.453 104 HB3 GLN 15 2HB GLN 15 -4.975 2.053 -8.772 105 HG2 GLN 15 1HG GLN 15 -7.740 1.077 -9.582 106 HG3 GLN 15 2HG GLN 15 -6.320 0.022 -9.605 107 HE21 GLN 15 2HE2 GLN 15 -7.888 -1.096 -8.051 108 HE22 GLN 15 1HE2 GLN 15 -7.676 -0.710 -6.360 109 H LEU 16 H LEU 16 -5.686 4.436 -11.433 110 HA LEU 16 HA LEU 16 -3.332 5.749 -10.505 111 HB2 LEU 16 1HB LEU 16 -4.969 6.050 -13.026 112 HB3 LEU 16 2HB LEU 16 -3.465 6.920 -12.755 113 HG LEU 16 HG LEU 16 -3.684 3.890 -12.711 114 HD11 LEU 16 1HD1 LEU 16 -4.230 4.717 -14.944 115 HD12 LEU 16 2HD1 LEU 16 -2.639 3.940 -14.936 116 HD13 LEU 16 3HD1 LEU 16 -2.756 5.718 -14.954 117 HD21 LEU 16 3HD2 LEU 16 -1.295 5.775 -12.818 118 HD22 LEU 16 1HD2 LEU 16 -1.213 4.007 -13.008 119 HD23 LEU 16 2HD2 LEU 16 -1.751 4.703 -11.471 120 H GLU 17 H GLU 17 -6.685 6.926 -10.810 121 HA GLU 17 HA GLU 17 -6.162 9.698 -10.567 122 HB2 GLU 17 1HB GLU 17 -8.468 7.974 -9.634 123 HB3 GLU 17 2HB GLU 17 -8.444 9.719 -9.383 124 HG2 GLU 17 1HG GLU 17 -8.294 10.106 -11.779 125 HG3 GLU 17 2HG GLU 17 -8.239 8.373 -12.080 126 HE2 GLU 17 HE2 GLU 17 -11.638 10.161 -11.349 127 H ASN 18 H ASN 18 -5.785 7.224 -8.093 128 HA ASN 18 HA ASN 18 -6.047 8.971 -5.825 129 HB2 ASN 18 1HB ASN 18 -4.536 6.385 -6.227 130 HB3 ASN 18 2HB ASN 18 -4.618 7.227 -4.676 131 HD21 ASN 18 2HD2 ASN 18 -6.164 5.072 -6.802 132 HD22 ASN 18 1HD2 ASN 18 -7.656 4.908 -5.900 133 H TYR 19 H TYR 19 -3.433 8.507 -8.140 134 HA TYR 19 HA TYR 19 -1.362 9.738 -6.458 135 HB2 TYR 19 1HB TYR 19 -1.610 9.203 -9.424 136 HB3 TYR 19 2HB TYR 19 -0.186 9.919 -8.706 137 HD1 TYR 19 HD1 TYR 19 1.281 8.591 -7.185 138 HD2 TYR 19 HD2 TYR 19 -1.985 6.809 -9.328 139 HE1 TYR 19 HE1 TYR 19 2.283 6.328 -6.852 140 HE2 TYR 19 HE2 TYR 19 -0.981 4.561 -8.997 141 HH TYR 19 HH TYR 19 0.746 3.366 -8.129 142 H CYS 20 H CYS 20 -4.101 10.874 -8.129 143 HA CYS 20 HA CYS 20 -2.857 13.353 -9.108 144 HB2 CYS 20 1HB CYS 20 -4.801 11.764 -10.100 145 HB3 CYS 20 2HB CYS 20 -5.807 12.895 -9.194 146 H ASN 21 H ASN 21 -2.393 14.697 -7.461 147 HA ASN 21 HA ASN 21 -2.566 16.078 -5.652 148 HB2 ASN 21 1HB ASN 21 -4.171 17.237 -7.152 149 HB3 ASN 21 2HB ASN 21 -5.465 16.222 -6.531 150 HD21 ASN 21 2HD2 ASN 21 -6.720 17.357 -5.179 151 HD22 ASN 21 1HD2 ASN 21 -6.134 18.481 -3.980 152 HXT ASN 21 H02 ASN 21 -3.362 13.622 -3.413 153 H1 PHE 1 3H0 PHE 1 -8.259 3.898 -22.586 154 H2 PHE 1 2H0 PHE 1 -7.525 3.247 -23.912 155 H3 PHE 1 1H0 PHE 1 -8.489 2.307 -22.961 156 HA PHE 1 HA PHE 1 -5.922 3.512 -22.158 157 HB2 PHE 1 1HB PHE 1 -7.828 3.241 -20.423 158 HB3 PHE 1 2HB PHE 1 -7.582 1.501 -20.605 159 HD1 PHE 1 HD2 PHE 1 -5.933 4.703 -19.595 160 HD2 PHE 1 HD1 PHE 1 -5.758 0.394 -19.485 161 HE1 PHE 1 HE2 PHE 1 -4.099 4.823 -17.917 162 HE2 PHE 1 HE1 PHE 1 -3.924 0.512 -17.805 163 HZ PHE 1 HZ PHE 1 -3.084 2.728 -17.026 164 H VAL 2 H VAL 2 -4.219 1.830 -21.779 165 HA VAL 2 HA VAL 2 -4.776 -0.739 -23.182 166 HB VAL 2 HB VAL 2 -3.654 0.600 -24.893 167 HG11 VAL 2 1HG1 VAL 2 -1.549 1.276 -22.792 168 HG12 VAL 2 2HG1 VAL 2 -1.424 1.648 -24.525 169 HG13 VAL 2 3HG1 VAL 2 -2.698 2.400 -23.552 170 HG21 VAL 2 3HG2 VAL 2 -1.589 -1.227 -23.588 171 HG22 VAL 2 1HG2 VAL 2 -2.916 -1.756 -24.653 172 HG23 VAL 2 2HG2 VAL 2 -1.631 -0.712 -25.290 173 H ASN 3 H ASN 3 -3.963 -2.449 -22.016 174 HA ASN 3 HA ASN 3 -2.984 -1.740 -19.359 175 HB2 ASN 3 1HB ASN 3 -3.491 -4.427 -20.677 176 HB3 ASN 3 2HB ASN 3 -2.887 -4.224 -19.024 177 HD21 ASN 3 2HD2 ASN 3 -5.347 -5.505 -19.815 178 HD22 ASN 3 1HD2 ASN 3 -6.647 -4.584 -19.097 179 H GLN 4 H GLN 4 -1.019 -1.587 -18.728 180 HA GLN 4 HA GLN 4 1.025 -3.446 -19.599 181 HB2 GLN 4 1HB GLN 4 2.632 -1.547 -20.160 182 HB3 GLN 4 2HB GLN 4 1.424 -1.896 -21.400 183 HG2 GLN 4 1HG GLN 4 0.074 0.002 -20.665 184 HG3 GLN 4 2HG GLN 4 1.233 0.352 -19.383 185 HE21 GLN 4 2HE2 GLN 4 0.475 0.672 -22.724 186 HE22 GLN 4 1HE2 GLN 4 1.873 1.625 -23.159 187 H HIS 5 H HIS 5 2.647 -3.382 -17.983 188 HA HIS 5 HA HIS 5 1.752 -2.389 -15.421 189 HB2 HIS 5 1HB HIS 5 4.438 -3.509 -16.308 190 HB3 HIS 5 2HB HIS 5 3.982 -3.169 -14.636 191 HD1 HIS 5 HD1 HIS 5 1.262 -4.298 -14.324 192 HD2 HIS 5 HD2 HIS 5 4.148 -6.244 -16.569 193 HE1 HIS 5 HE1 HIS 5 0.517 -6.722 -14.557 194 HE2 HIS 5 HE2 HIS 5 2.331 -7.905 -15.867 195 H LEU 6 H LEU 6 2.391 -0.640 -14.222 196 HA LEU 6 HA LEU 6 3.821 1.477 -15.805 197 HB2 LEU 6 1HB LEU 6 1.469 1.579 -13.902 198 HB3 LEU 6 2HB LEU 6 2.411 2.984 -14.295 199 HG LEU 6 HG LEU 6 0.874 3.431 -15.759 200 HD11 LEU 6 1HD1 LEU 6 1.960 1.121 -17.404 201 HD12 LEU 6 2HD1 LEU 6 2.586 2.782 -17.385 202 HD13 LEU 6 3HD1 LEU 6 0.965 2.457 -18.008 203 HD21 LEU 6 3HD2 LEU 6 0.024 0.527 -15.673 204 HD22 LEU 6 1HD2 LEU 6 -0.846 1.809 -16.540 205 HD23 LEU 6 2HD2 LEU 6 -0.687 1.889 -14.775 206 H CYS 7 H CYS 7 5.805 1.577 -14.984 207 HA CYS 7 HA CYS 7 6.019 2.298 -12.115 208 HB2 CYS 7 1HB CYS 7 6.566 -0.240 -12.781 209 HB3 CYS 7 2HB CYS 7 8.094 0.476 -13.302 210 H GLY 8 H GLY 8 7.930 3.618 -11.717 211 HA2 GLY 8 1HA GLY 8 9.477 5.231 -12.326 212 HA3 GLY 8 2HA GLY 8 9.852 4.199 -13.718 213 H SER 9 H SER 9 9.949 5.568 -15.404 214 HA SER 9 HA SER 9 8.380 7.906 -15.736 215 HB2 SER 9 1HB SER 9 9.109 7.696 -18.141 216 HB3 SER 9 2HB SER 9 10.434 7.594 -16.957 217 HG SER 9 HG SER 9 10.605 5.946 -18.510 218 H HIS 10 H HIS 10 7.659 4.519 -16.578 219 HA HIS 10 HA HIS 10 5.541 5.145 -18.422 220 HB2 HIS 10 1HB HIS 10 6.380 2.739 -16.861 221 HB3 HIS 10 2HB HIS 10 4.742 2.775 -17.499 222 HD1 HIS 10 HD1 HIS 10 4.436 1.970 -19.852 223 HD2 HIS 10 HD2 HIS 10 8.368 3.242 -19.089 224 HE1 HIS 10 HE1 HIS 10 5.776 1.483 -21.925 225 HE2 HIS 10 HE2 HIS 10 8.153 2.247 -21.471 226 H LEU 11 H LEU 11 5.650 4.950 -14.884 227 HA LEU 11 HA LEU 11 2.777 4.951 -14.562 228 HB2 LEU 11 1HB LEU 11 4.395 4.244 -12.816 229 HB3 LEU 11 2HB LEU 11 4.980 5.897 -12.697 230 HG LEU 11 HG LEU 11 2.866 6.640 -11.760 231 HD11 LEU 11 1HD1 LEU 11 1.112 5.007 -11.127 232 HD12 LEU 11 2HD1 LEU 11 1.964 3.750 -12.056 233 HD13 LEU 11 3HD1 LEU 11 1.275 5.170 -12.883 234 HD21 LEU 11 3HD2 LEU 11 3.828 4.084 -10.419 235 HD22 LEU 11 1HD2 LEU 11 3.037 5.473 -9.638 236 HD23 LEU 11 2HD2 LEU 11 4.658 5.654 -10.334 237 H VAL 12 H VAL 12 5.300 7.453 -14.691 238 HA VAL 12 HA VAL 12 3.591 9.686 -14.206 239 HB VAL 12 HB VAL 12 6.186 9.491 -15.819 240 HG11 VAL 12 1HG1 VAL 12 6.454 11.881 -15.398 241 HG12 VAL 12 2HG1 VAL 12 4.953 11.574 -16.290 242 HG13 VAL 12 3HG1 VAL 12 4.894 11.927 -14.549 243 HG21 VAL 12 3HG2 VAL 12 6.508 8.688 -13.531 244 HG22 VAL 12 1HG2 VAL 12 7.254 10.286 -13.699 245 HG23 VAL 12 2HG2 VAL 12 5.684 10.122 -12.880 246 H GLU 13 H GLU 13 4.581 8.026 -17.218 247 HA GLU 13 HA GLU 13 3.337 9.845 -19.036 248 HB2 GLU 13 1HB GLU 13 4.032 6.901 -19.175 249 HB3 GLU 13 2HB GLU 13 3.351 7.772 -20.554 250 HG2 GLU 13 1HG GLU 13 5.256 9.167 -20.767 251 HG3 GLU 13 2HG GLU 13 5.858 8.744 -19.163 252 HE2 GLU 13 HE2 GLU 13 7.839 6.967 -21.459 253 H ALA 14 H ALA 14 2.096 7.050 -17.231 254 HA ALA 14 HA ALA 14 -0.425 6.988 -18.663 255 HB1 ALA 14 3HB ALA 14 0.508 5.034 -17.487 256 HB2 ALA 14 1HB ALA 14 0.351 5.889 -15.935 257 HB3 ALA 14 2HB ALA 14 -1.106 5.458 -16.868 258 H LEU 15 H LEU 15 0.776 8.468 -15.648 259 HA LEU 15 HA LEU 15 -1.775 9.364 -14.736 260 HB2 LEU 15 1HB LEU 15 1.062 10.243 -14.197 261 HB3 LEU 15 2HB LEU 15 -0.314 11.060 -13.459 262 HG LEU 15 HG LEU 15 0.239 8.095 -13.136 263 HD11 LEU 15 1HD1 LEU 15 0.830 10.361 -11.206 264 HD12 LEU 15 2HD1 LEU 15 2.045 9.457 -12.141 265 HD13 LEU 15 3HD1 LEU 15 1.071 8.623 -10.913 266 HD21 LEU 15 3HD2 LEU 15 -1.608 9.982 -11.658 267 HD22 LEU 15 1HD2 LEU 15 -1.371 8.250 -11.327 268 HD23 LEU 15 2HD2 LEU 15 -2.112 8.760 -12.843 269 H TYR 16 H TYR 16 0.518 10.796 -17.037 270 HA TYR 16 HA TYR 16 -0.640 13.394 -17.144 271 HB2 TYR 16 1HB TYR 16 0.841 11.652 -19.097 272 HB3 TYR 16 2HB TYR 16 0.000 13.081 -19.705 273 HD1 TYR 16 HD1 TYR 16 0.471 15.349 -18.439 274 HD2 TYR 16 HD2 TYR 16 3.063 11.917 -18.302 275 HE1 TYR 16 HE1 TYR 16 2.380 16.809 -17.764 276 HE2 TYR 16 HE2 TYR 16 4.972 13.393 -17.655 277 HH TYR 16 HH TYR 16 5.652 15.524 -17.175 278 H LEU 17 H LEU 17 -1.638 10.337 -18.704 279 HA LEU 17 HA LEU 17 -3.714 11.603 -20.263 280 HB2 LEU 17 1HB LEU 17 -3.451 8.731 -19.334 281 HB3 LEU 17 2HB LEU 17 -4.547 9.328 -20.569 282 HG LEU 17 HG LEU 17 -1.516 9.406 -20.784 283 HD11 LEU 17 1HD1 LEU 17 -3.514 7.443 -21.980 284 HD12 LEU 17 2HD1 LEU 17 -2.363 7.094 -20.665 285 HD13 LEU 17 3HD1 LEU 17 -1.763 7.478 -22.292 286 HD21 LEU 17 3HD2 LEU 17 -3.711 9.860 -22.851 287 HD22 LEU 17 1HD2 LEU 17 -1.970 9.766 -23.201 288 HD23 LEU 17 2HD2 LEU 17 -2.598 11.087 -22.202 289 H VAL 18 H VAL 18 -3.645 9.940 -17.114 290 HA VAL 18 HA VAL 18 -6.530 9.885 -16.878 291 HB VAL 18 HB VAL 18 -4.335 9.478 -14.787 292 HG11 VAL 18 1HG1 VAL 18 -7.309 8.828 -14.680 293 HG12 VAL 18 2HG1 VAL 18 -6.098 8.273 -13.501 294 HG13 VAL 18 3HG1 VAL 18 -6.437 10.002 -13.668 295 HG21 VAL 18 3HG2 VAL 18 -4.185 7.841 -16.586 296 HG22 VAL 18 1HG2 VAL 18 -4.873 7.058 -15.159 297 HG23 VAL 18 2HG2 VAL 18 -5.930 7.527 -16.503 298 H CYS 19 H CYS 19 -3.960 11.977 -15.531 299 HA CYS 19 HA CYS 19 -5.943 13.571 -14.080 300 HB2 CYS 19 1HB CYS 19 -2.969 13.872 -14.569 301 HB3 CYS 19 2HB CYS 19 -3.928 15.018 -13.621 302 H GLY 20 H GLY 20 -4.488 13.562 -17.276 303 HA2 GLY 20 1HA GLY 20 -4.768 15.032 -19.023 304 HA3 GLY 20 2HA GLY 20 -6.227 15.612 -18.193 305 H GLU 21 H GLU 21 -6.017 17.750 -18.501 306 HA GLU 21 HA GLU 21 -3.551 19.177 -18.307 307 HB2 GLU 21 1HB GLU 21 -6.438 20.112 -18.206 308 HB3 GLU 21 2HB GLU 21 -5.040 21.179 -18.387 309 HG2 GLU 21 1HG GLU 21 -4.452 20.065 -20.511 310 HG3 GLU 21 2HG GLU 21 -5.847 18.993 -20.341 311 HE2 GLU 21 HE2 GLU 21 -6.880 21.570 -22.486 312 H ARG 22 H ARG 22 -5.526 18.036 -15.680 313 HA ARG 22 HA ARG 22 -5.173 20.398 -14.050 314 HB2 ARG 22 1HB ARG 22 -6.507 19.405 -12.547 315 HB3 ARG 22 2HB ARG 22 -6.912 18.401 -13.939 316 HG2 ARG 22 1HG ARG 22 -5.098 16.786 -13.080 317 HG3 ARG 22 2HG ARG 22 -5.129 17.747 -11.588 318 HD2 ARG 22 1HD ARG 22 -6.643 16.048 -11.155 319 HD3 ARG 22 2HD ARG 22 -7.686 17.386 -11.684 320 HE ARG 22 HE ARG 22 -7.024 15.971 -13.995 321 HH11 ARG 22 1HH1 ARG 22 -8.709 15.181 -10.986 322 HH12 ARG 22 2HH1 ARG 22 -9.674 13.945 -11.742 323 HH21 ARG 22 1HH2 ARG 22 -8.283 14.373 -14.881 324 HH22 ARG 22 2HH2 ARG 22 -9.437 13.500 -13.914 325 H GLY 23 H GLY 23 -3.063 17.819 -14.842 326 HA2 GLY 23 1HA GLY 23 -0.833 17.606 -14.219 327 HA3 GLY 23 2HA GLY 23 -1.044 18.911 -13.041 328 H PHE 24 H PHE 24 0.509 16.960 -12.213 329 HA PHE 24 HA PHE 24 -0.862 15.763 -9.957 330 HB2 PHE 24 1HB PHE 24 -0.406 13.427 -10.519 331 HB3 PHE 24 2HB PHE 24 -1.491 14.133 -11.707 332 HD1 PHE 24 HD1 PHE 24 -0.679 14.734 -13.979 333 HD2 PHE 24 HD2 PHE 24 1.779 12.639 -11.153 334 HE1 PHE 24 HE1 PHE 24 0.863 14.090 -15.806 335 HE2 PHE 24 HE2 PHE 24 3.317 11.962 -12.979 336 HZ PHE 24 HZ PHE 24 2.860 12.699 -15.325 337 H PHE 25 H PHE 25 0.973 14.143 -8.974 338 HA PHE 25 HA PHE 25 3.671 15.138 -9.711 339 HB2 PHE 25 1HB PHE 25 4.291 15.446 -7.384 340 HB3 PHE 25 2HB PHE 25 2.907 16.480 -7.756 341 HD1 PHE 25 HD1 PHE 25 0.655 15.947 -6.844 342 HD2 PHE 25 HD2 PHE 25 4.117 13.610 -5.808 343 HE1 PHE 25 HE1 PHE 25 -0.600 14.935 -4.947 344 HE2 PHE 25 HE2 PHE 25 2.868 12.595 -3.907 345 HZ PHE 25 HZ PHE 25 0.496 13.244 -3.485 346 H TYR 26 H TYR 26 5.359 13.666 -8.778 347 HA TYR 26 HA TYR 26 4.391 10.997 -7.953 348 HB2 TYR 26 1HB TYR 26 4.526 10.714 -10.370 349 HB3 TYR 26 2HB TYR 26 6.107 11.513 -10.414 350 HD1 TYR 26 HD2 TYR 26 4.417 8.579 -8.734 351 HD2 TYR 26 HD1 TYR 26 8.045 10.177 -10.414 352 HE1 TYR 26 HE2 TYR 26 5.576 6.416 -8.304 353 HE2 TYR 26 HE1 TYR 26 9.186 7.997 -10.005 354 HH TYR 26 HH TYR 26 9.005 5.888 -9.146 355 H THR 27 H THR 27 5.934 9.984 -6.646 356 HA THR 27 HA THR 27 8.186 11.734 -5.844 357 HB THR 27 HB THR 27 8.290 10.043 -3.894 358 HG1 THR 27 HG1 THR 27 5.776 9.366 -3.888 359 HG21 THR 27 1HG2 THR 27 5.741 11.677 -4.263 360 HG22 THR 27 2HG2 THR 27 7.305 12.319 -3.706 361 HG23 THR 27 3HG2 THR 27 6.433 11.130 -2.717 362 HA PRO 28 HA PRO 28 10.588 8.617 -8.084 363 HB2 PRO 28 1HB PRO 28 12.966 9.947 -8.172 364 HB3 PRO 28 2HB PRO 28 11.611 10.365 -9.272 365 HG2 PRO 28 1HG PRO 28 12.399 11.650 -6.667 366 HG3 PRO 28 2HG PRO 28 12.089 12.422 -8.258 367 HD2 PRO 28 1HD PRO 28 10.194 12.320 -6.333 368 HD3 PRO 28 2HD PRO 28 9.771 12.134 -8.073 369 H LYS 29 H LYS 29 12.367 7.223 -7.366 370 HA LYS 29 HA LYS 29 13.087 7.544 -4.486 371 HB2 LYS 29 1HB LYS 29 11.913 5.064 -5.805 372 HB3 LYS 29 2HB LYS 29 12.579 5.123 -4.164 373 HG2 LYS 29 1HG LYS 29 10.865 6.740 -3.496 374 HG3 LYS 29 2HG LYS 29 10.249 6.799 -5.151 375 HD2 LYS 29 1HD LYS 29 9.630 4.419 -5.015 376 HD3 LYS 29 2HD LYS 29 10.201 4.382 -3.331 377 HE2 LYS 29 1HE LYS 29 7.774 4.717 -3.362 378 HE3 LYS 29 2HE LYS 29 8.576 6.181 -2.760 379 HZ1 LYS 29 3HZ LYS 29 8.346 7.126 -5.020 380 HZ2 LYS 29 1HZ LYS 29 6.883 6.785 -4.344 381 HZ3 LYS 29 2HZ LYS 29 7.509 5.792 -5.504 382 H THR 30 H THR 30 15.198 7.914 -4.753 383 HA THR 30 HA THR 30 16.794 6.334 -6.666 384 HB THR 30 HB THR 30 18.595 7.983 -5.658 385 HG1 THR 30 HG1 THR 30 17.579 9.818 -4.732 386 HG21 THR 30 1HG2 THR 30 17.819 9.797 -7.184 387 HG22 THR 30 2HG2 THR 30 16.194 9.100 -7.245 388 HG23 THR 30 3HG2 THR 30 17.566 8.232 -7.964 389 HXT THR 30 H02 THR 30 17.517 5.244 -3.046 Start of MODEL 40 1 H1 GLY 1 3H0 GLY 1 2.738 -1.616 -1.936 2 H2 GLY 1 2H0 GLY 1 2.280 -1.418 -0.364 3 H3 GLY 1 1H0 GLY 1 1.155 -1.793 -1.510 4 HA2 GLY 1 1HA GLY 1 0.999 0.539 -0.900 5 HA3 GLY 1 2HA GLY 1 2.694 0.729 -1.386 6 H ILE 2 H ILE 2 0.621 2.302 -2.592 7 HA ILE 2 HA ILE 2 -0.536 1.039 -4.834 8 HB ILE 2 HB ILE 2 -1.287 3.173 -3.759 9 HG12 ILE 2 1HG1 ILE 2 -0.941 3.275 -6.771 10 HG13 ILE 2 2HG1 ILE 2 -2.117 2.276 -5.921 11 HG21 ILE 2 1HG2 ILE 2 0.973 4.325 -3.716 12 HG22 ILE 2 2HG2 ILE 2 0.831 4.559 -5.477 13 HG23 ILE 2 3HG2 ILE 2 -0.335 5.320 -4.378 14 HD11 ILE 2 3HD1 ILE 2 -3.089 4.404 -4.942 15 HD12 ILE 2 1HD1 ILE 2 -2.029 5.310 -6.055 16 HD13 ILE 2 2HD1 ILE 2 -3.267 4.212 -6.698 17 H VAL 3 H VAL 3 2.587 2.836 -4.741 18 HA VAL 3 HA VAL 3 2.950 2.642 -7.574 19 HB VAL 3 HB VAL 3 4.199 4.293 -6.298 20 HG11 VAL 3 1HG1 VAL 3 6.009 3.728 -4.750 21 HG12 VAL 3 2HG1 VAL 3 4.481 3.044 -4.169 22 HG13 VAL 3 3HG1 VAL 3 5.692 1.994 -4.953 23 HG21 VAL 3 3HG2 VAL 3 6.121 2.232 -7.465 24 HG22 VAL 3 1HG2 VAL 3 5.188 3.418 -8.403 25 HG23 VAL 3 2HG2 VAL 3 6.421 3.973 -7.254 26 H GLU 4 H GLU 4 3.785 0.498 -4.898 27 HA GLU 4 HA GLU 4 5.336 -1.354 -6.421 28 HB2 GLU 4 1HB GLU 4 5.257 -1.194 -3.923 29 HB3 GLU 4 2HB GLU 4 3.588 -1.750 -3.969 30 HG2 GLU 4 1HG GLU 4 4.404 -3.899 -4.991 31 HG3 GLU 4 2HG GLU 4 6.051 -3.342 -4.662 32 HE2 GLU 4 HE2 GLU 4 5.344 -5.236 -1.853 33 H GLN 5 H GLN 5 1.884 -1.178 -5.546 34 HA GLN 5 HA GLN 5 1.117 -3.629 -6.743 35 HB2 GLN 5 1HB GLN 5 -0.109 -2.177 -5.078 36 HB3 GLN 5 2HB GLN 5 -0.567 -1.118 -6.412 37 HG2 GLN 5 1HG GLN 5 -1.939 -2.783 -7.390 38 HG3 GLN 5 2HG GLN 5 -1.192 -4.073 -6.433 39 HE21 GLN 5 2HE2 GLN 5 -3.966 -2.434 -6.724 40 HE22 GLN 5 1HE2 GLN 5 -4.509 -2.461 -5.065 41 H CYS 6 H CYS 6 1.287 -0.292 -8.039 42 HA CYS 6 HA CYS 6 0.140 -1.031 -10.592 43 HB2 CYS 6 1HB CYS 6 1.665 1.349 -9.533 44 HB3 CYS 6 2HB CYS 6 1.342 1.185 -11.267 45 H CYS 7 H CYS 7 3.416 -0.999 -9.275 46 HA CYS 7 HA CYS 7 4.736 -1.197 -11.810 47 HB2 CYS 7 1HB CYS 7 5.733 -0.483 -9.589 48 HB3 CYS 7 2HB CYS 7 5.709 -2.180 -9.105 49 H THR 8 H THR 8 3.845 -3.633 -9.315 50 HA THR 8 HA THR 8 4.853 -5.763 -11.054 51 HB THR 8 HB THR 8 5.203 -5.655 -8.530 52 HG1 THR 8 HG1 THR 8 5.508 -7.563 -9.801 53 HG21 THR 8 1HG2 THR 8 2.748 -5.172 -8.007 54 HG22 THR 8 2HG2 THR 8 3.510 -6.465 -7.061 55 HG23 THR 8 3HG2 THR 8 2.428 -6.876 -8.403 56 H SER 9 H SER 9 1.682 -4.427 -10.311 57 HA SER 9 HA SER 9 0.545 -6.621 -11.981 58 HB2 SER 9 1HB SER 9 -1.332 -6.904 -10.493 59 HB3 SER 9 2HB SER 9 0.127 -7.013 -9.491 60 HG SER 9 HG SER 9 -0.293 -4.603 -9.218 61 H ILE 10 H ILE 10 -2.065 -5.822 -12.163 62 HA ILE 10 HA ILE 10 -1.546 -3.825 -14.179 63 HB ILE 10 HB ILE 10 -4.133 -5.134 -13.275 64 HG12 ILE 10 1HG1 ILE 10 -2.484 -6.703 -14.206 65 HG13 ILE 10 2HG1 ILE 10 -3.900 -6.538 -15.241 66 HG21 ILE 10 1HG2 ILE 10 -5.047 -4.330 -15.485 67 HG22 ILE 10 2HG2 ILE 10 -4.746 -3.040 -14.310 68 HG23 ILE 10 3HG2 ILE 10 -3.604 -3.298 -15.648 69 HD11 ILE 10 3HD1 ILE 10 -1.190 -5.244 -15.727 70 HD12 ILE 10 1HD1 ILE 10 -1.851 -6.657 -16.570 71 HD13 ILE 10 2HD1 ILE 10 -2.610 -5.071 -16.766 72 H CYS 11 H CYS 11 -1.445 -1.770 -13.959 73 HA CYS 11 HA CYS 11 -2.685 -0.443 -11.635 74 HB2 CYS 11 1HB CYS 11 -0.325 -0.026 -12.569 75 HB3 CYS 11 2HB CYS 11 -1.113 0.761 -13.922 76 H SER 12 H SER 12 -4.884 -0.455 -12.034 77 HA SER 12 HA SER 12 -5.987 0.056 -14.669 78 HB2 SER 12 1HB SER 12 -8.144 0.034 -13.501 79 HB3 SER 12 2HB SER 12 -7.137 -1.320 -12.947 80 HG SER 12 HG SER 12 -7.877 -0.413 -11.113 81 H LEU 13 H LEU 13 -7.592 1.901 -14.996 82 HA LEU 13 HA LEU 13 -6.269 4.384 -14.657 83 HB2 LEU 13 1HB LEU 13 -8.222 5.398 -15.573 84 HB3 LEU 13 2HB LEU 13 -7.919 3.890 -16.415 85 HG LEU 13 HG LEU 13 -9.739 3.054 -14.550 86 HD11 LEU 13 1HD1 LEU 13 -11.561 4.741 -14.533 87 HD12 LEU 13 2HD1 LEU 13 -10.475 5.915 -15.310 88 HD13 LEU 13 3HD1 LEU 13 -10.123 5.312 -13.672 89 HD21 LEU 13 3HD2 LEU 13 -11.375 3.149 -16.382 90 HD22 LEU 13 1HD2 LEU 13 -9.789 2.598 -16.958 91 HD23 LEU 13 2HD2 LEU 13 -10.321 4.269 -17.275 92 H TYR 14 H TYR 14 -8.580 2.690 -12.594 93 HA TYR 14 HA TYR 14 -9.292 4.922 -10.956 94 HB2 TYR 14 1HB TYR 14 -9.111 2.035 -10.081 95 HB3 TYR 14 2HB TYR 14 -10.195 3.287 -9.471 96 HD1 TYR 14 HD2 TYR 14 -11.848 4.321 -11.324 97 HD2 TYR 14 HD1 TYR 14 -9.884 0.502 -11.651 98 HE1 TYR 14 HE2 TYR 14 -13.547 3.581 -12.998 99 HE2 TYR 14 HE1 TYR 14 -11.583 -0.220 -13.340 100 HH TYR 14 HH TYR 14 -13.499 0.340 -14.475 101 H GLN 15 H GLN 15 -6.665 2.534 -10.849 102 HA GLN 15 HA GLN 15 -5.632 3.347 -8.280 103 HB2 GLN 15 1HB GLN 15 -4.289 2.026 -10.669 104 HB3 GLN 15 2HB GLN 15 -3.530 2.237 -9.093 105 HG2 GLN 15 1HG GLN 15 -6.161 0.770 -9.343 106 HG3 GLN 15 2HG GLN 15 -4.626 -0.045 -9.683 107 HE21 GLN 15 2HE2 GLN 15 -6.806 0.916 -7.257 108 HE22 GLN 15 1HE2 GLN 15 -5.804 0.520 -5.882 109 H LEU 16 H LEU 16 -5.055 4.322 -11.672 110 HA LEU 16 HA LEU 16 -2.946 6.159 -11.056 111 HB2 LEU 16 1HB LEU 16 -4.883 5.979 -13.362 112 HB3 LEU 16 2HB LEU 16 -3.574 7.160 -13.292 113 HG LEU 16 HG LEU 16 -3.100 4.170 -13.072 114 HD11 LEU 16 1HD1 LEU 16 -4.183 4.688 -15.214 115 HD12 LEU 16 2HD1 LEU 16 -2.502 4.183 -15.415 116 HD13 LEU 16 3HD1 LEU 16 -2.926 5.904 -15.546 117 HD21 LEU 16 3HD2 LEU 16 -1.262 5.588 -12.240 118 HD22 LEU 16 1HD2 LEU 16 -1.257 6.497 -13.767 119 HD23 LEU 16 2HD2 LEU 16 -0.803 4.780 -13.745 120 H GLU 17 H GLU 17 -6.504 6.572 -11.151 121 HA GLU 17 HA GLU 17 -6.517 9.408 -10.858 122 HB2 GLU 17 1HB GLU 17 -8.438 7.241 -9.957 123 HB3 GLU 17 2HB GLU 17 -8.761 8.956 -9.701 124 HG2 GLU 17 1HG GLU 17 -8.725 9.373 -12.085 125 HG3 GLU 17 2HG GLU 17 -8.278 7.702 -12.408 126 HE2 GLU 17 HE2 GLU 17 -10.598 9.745 -12.276 127 H ASN 18 H ASN 18 -5.959 6.838 -8.496 128 HA ASN 18 HA ASN 18 -6.405 8.447 -6.154 129 HB2 ASN 18 1HB ASN 18 -5.100 5.813 -6.714 130 HB3 ASN 18 2HB ASN 18 -4.730 6.618 -5.188 131 HD21 ASN 18 2HD2 ASN 18 -7.509 5.653 -7.227 132 HD22 ASN 18 1HD2 ASN 18 -8.543 5.286 -5.865 133 H TYR 19 H TYR 19 -3.645 8.217 -8.328 134 HA TYR 19 HA TYR 19 -1.688 9.273 -6.446 135 HB2 TYR 19 1HB TYR 19 -1.837 9.141 -9.454 136 HB3 TYR 19 2HB TYR 19 -0.463 9.843 -8.628 137 HD1 TYR 19 HD2 TYR 19 -2.299 6.699 -9.243 138 HD2 TYR 19 HD1 TYR 19 1.232 8.462 -7.585 139 HE1 TYR 19 HE2 TYR 19 -1.257 4.442 -9.102 140 HE2 TYR 19 HE1 TYR 19 2.282 6.196 -7.448 141 HH TYR 19 HH TYR 19 0.549 3.253 -8.531 142 H CYS 20 H CYS 20 -4.253 10.627 -8.400 143 HA CYS 20 HA CYS 20 -3.104 13.339 -8.372 144 HB2 CYS 20 1HB CYS 20 -5.801 12.259 -9.280 145 HB3 CYS 20 2HB CYS 20 -5.297 13.945 -9.407 146 H ASN 21 H ASN 21 -3.732 14.991 -7.032 147 HA ASN 21 HA ASN 21 -5.089 14.363 -4.572 148 HB2 ASN 21 1HB ASN 21 -4.912 16.878 -4.262 149 HB3 ASN 21 2HB ASN 21 -3.375 16.083 -4.539 150 HD21 ASN 21 2HD2 ASN 21 -5.526 18.523 -5.579 151 HD22 ASN 21 1HD2 ASN 21 -4.673 18.954 -7.036 152 HXT ASN 21 H02 ASN 21 -8.229 15.239 -5.130 153 H1 PHE 1 3H0 PHE 1 -9.146 4.272 -21.716 154 H2 PHE 1 2H0 PHE 1 -8.918 3.106 -22.863 155 H3 PHE 1 1H0 PHE 1 -9.819 2.777 -21.523 156 HA PHE 1 HA PHE 1 -6.928 3.349 -21.561 157 HB2 PHE 1 1HB PHE 1 -8.269 4.156 -19.550 158 HB3 PHE 1 2HB PHE 1 -8.662 2.463 -19.225 159 HD1 PHE 1 HD1 PHE 1 -5.827 4.886 -19.548 160 HD2 PHE 1 HD2 PHE 1 -7.118 1.051 -18.065 161 HE1 PHE 1 HE1 PHE 1 -3.679 4.639 -18.323 162 HE2 PHE 1 HE2 PHE 1 -4.964 0.803 -16.836 163 HZ PHE 1 HZ PHE 1 -3.238 2.589 -16.978 164 H VAL 2 H VAL 2 -5.618 1.398 -20.924 165 HA VAL 2 HA VAL 2 -7.055 -1.160 -21.373 166 HB VAL 2 HB VAL 2 -6.130 -0.419 -23.587 167 HG11 VAL 2 1HG1 VAL 2 -4.169 0.865 -22.768 168 HG12 VAL 2 2HG1 VAL 2 -3.392 -0.655 -22.261 169 HG13 VAL 2 3HG1 VAL 2 -3.712 -0.345 -23.981 170 HG21 VAL 2 3HG2 VAL 2 -5.046 -2.513 -24.169 171 HG22 VAL 2 1HG2 VAL 2 -4.655 -2.839 -22.466 172 HG23 VAL 2 2HG2 VAL 2 -6.352 -2.837 -23.010 173 H ASN 3 H ASN 3 -6.141 -2.899 -20.293 174 HA ASN 3 HA ASN 3 -4.757 -2.278 -17.875 175 HB2 ASN 3 1HB ASN 3 -4.353 -4.850 -17.909 176 HB3 ASN 3 2HB ASN 3 -6.020 -4.250 -17.752 177 HD21 ASN 3 2HD2 ASN 3 -4.047 -6.398 -19.374 178 HD22 ASN 3 1HD2 ASN 3 -5.084 -6.723 -20.738 179 H GLN 4 H GLN 4 -2.678 -2.062 -17.395 180 HA GLN 4 HA GLN 4 -0.685 -3.706 -18.682 181 HB2 GLN 4 1HB GLN 4 0.727 -1.756 -19.373 182 HB3 GLN 4 2HB GLN 4 -0.726 -1.961 -20.354 183 HG2 GLN 4 1HG GLN 4 -1.841 -0.177 -18.983 184 HG3 GLN 4 2HG GLN 4 -0.294 0.101 -18.184 185 HE21 GLN 4 2HE2 GLN 4 -2.289 1.064 -20.626 186 HE22 GLN 4 1HE2 GLN 4 -1.119 1.881 -21.639 187 H HIS 5 H HIS 5 1.121 -3.814 -17.398 188 HA HIS 5 HA HIS 5 1.014 -2.767 -14.658 189 HB2 HIS 5 1HB HIS 5 3.380 -3.919 -16.204 190 HB3 HIS 5 2HB HIS 5 3.268 -3.700 -14.453 191 HD1 HIS 5 HD1 HIS 5 0.694 -4.965 -13.682 192 HD2 HIS 5 HD2 HIS 5 3.126 -6.604 -16.585 193 HE1 HIS 5 HE1 HIS 5 0.091 -7.455 -13.854 194 HE2 HIS 5 HE2 HIS 5 1.605 -8.423 -15.618 195 H LEU 6 H LEU 6 2.183 -0.945 -13.873 196 HA LEU 6 HA LEU 6 3.547 0.715 -15.957 197 HB2 LEU 6 1HB LEU 6 1.341 1.574 -14.064 198 HB3 LEU 6 2HB LEU 6 2.402 2.703 -14.892 199 HG LEU 6 HG LEU 6 0.577 0.753 -16.320 200 HD11 LEU 6 1HD1 LEU 6 -0.779 2.313 -15.100 201 HD12 LEU 6 2HD1 LEU 6 -0.773 2.798 -16.798 202 HD13 LEU 6 3HD1 LEU 6 0.228 3.670 -15.617 203 HD21 LEU 6 3HD2 LEU 6 2.445 1.431 -17.722 204 HD22 LEU 6 1HD2 LEU 6 2.210 3.141 -17.271 205 HD23 LEU 6 2HD2 LEU 6 0.997 2.300 -18.254 206 H CYS 7 H CYS 7 5.522 1.139 -15.290 207 HA CYS 7 HA CYS 7 5.950 1.855 -12.442 208 HB2 CYS 7 1HB CYS 7 6.392 -0.671 -13.127 209 HB3 CYS 7 2HB CYS 7 7.868 -0.010 -13.836 210 H GLY 8 H GLY 8 8.019 3.015 -12.159 211 HA2 GLY 8 1HA GLY 8 9.593 4.567 -12.828 212 HA3 GLY 8 2HA GLY 8 9.745 3.615 -14.313 213 H SER 9 H SER 9 9.891 5.198 -15.806 214 HA SER 9 HA SER 9 8.411 7.611 -15.850 215 HB2 SER 9 1HB SER 9 9.006 7.475 -18.359 216 HB3 SER 9 2HB SER 9 10.350 7.455 -17.192 217 HG SER 9 HG SER 9 10.621 5.809 -18.717 218 H HIS 10 H HIS 10 7.507 4.359 -16.975 219 HA HIS 10 HA HIS 10 5.375 5.222 -18.702 220 HB2 HIS 10 1HB HIS 10 6.116 2.668 -17.331 221 HB3 HIS 10 2HB HIS 10 4.454 2.845 -17.887 222 HD1 HIS 10 HD1 HIS 10 4.006 2.166 -20.257 223 HD2 HIS 10 HD2 HIS 10 8.022 3.199 -19.614 224 HE1 HIS 10 HE1 HIS 10 5.247 1.716 -22.437 225 HE2 HIS 10 HE2 HIS 10 7.666 2.341 -22.031 226 H LEU 11 H LEU 11 5.555 4.710 -15.188 227 HA LEU 11 HA LEU 11 2.710 4.812 -14.761 228 HB2 LEU 11 1HB LEU 11 4.396 3.948 -13.126 229 HB3 LEU 11 2HB LEU 11 4.996 5.586 -12.914 230 HG LEU 11 HG LEU 11 2.790 6.255 -11.972 231 HD11 LEU 11 1HD1 LEU 11 1.229 4.480 -11.244 232 HD12 LEU 11 2HD1 LEU 11 2.197 3.271 -12.120 233 HD13 LEU 11 3HD1 LEU 11 1.352 4.560 -13.008 234 HD21 LEU 11 3HD2 LEU 11 4.138 3.882 -10.620 235 HD22 LEU 11 1HD2 LEU 11 3.140 5.120 -9.823 236 HD23 LEU 11 2HD2 LEU 11 4.693 5.574 -10.552 237 H VAL 12 H VAL 12 5.306 7.258 -14.748 238 HA VAL 12 HA VAL 12 3.633 9.448 -13.987 239 HB VAL 12 HB VAL 12 6.231 9.456 -15.596 240 HG11 VAL 12 1HG1 VAL 12 5.043 11.604 -15.734 241 HG12 VAL 12 2HG1 VAL 12 4.934 11.660 -13.960 242 HG13 VAL 12 3HG1 VAL 12 6.518 11.748 -14.762 243 HG21 VAL 12 3HG2 VAL 12 7.305 9.900 -13.370 244 HG22 VAL 12 1HG2 VAL 12 5.737 9.593 -12.589 245 HG23 VAL 12 2HG2 VAL 12 6.567 8.292 -13.475 246 H GLU 13 H GLU 13 4.624 8.166 -17.195 247 HA GLU 13 HA GLU 13 3.337 10.243 -18.697 248 HB2 GLU 13 1HB GLU 13 4.132 7.403 -19.376 249 HB3 GLU 13 2HB GLU 13 3.389 8.501 -20.550 250 HG2 GLU 13 1HG GLU 13 5.997 9.000 -19.078 251 HG3 GLU 13 2HG GLU 13 5.836 8.490 -20.763 252 HE2 GLU 13 HE2 GLU 13 5.812 12.216 -19.916 253 H ALA 14 H ALA 14 2.123 7.267 -17.226 254 HA ALA 14 HA ALA 14 -0.374 7.329 -18.689 255 HB1 ALA 14 3HB ALA 14 0.564 5.294 -17.656 256 HB2 ALA 14 1HB ALA 14 0.320 6.019 -16.048 257 HB3 ALA 14 2HB ALA 14 -1.080 5.655 -17.085 258 H LEU 15 H LEU 15 0.851 8.730 -15.656 259 HA LEU 15 HA LEU 15 -1.722 9.548 -14.681 260 HB2 LEU 15 1HB LEU 15 1.087 10.537 -14.157 261 HB3 LEU 15 2HB LEU 15 -0.324 11.251 -13.389 262 HG LEU 15 HG LEU 15 0.453 8.335 -13.106 263 HD11 LEU 15 1HD1 LEU 15 1.223 8.887 -10.874 264 HD12 LEU 15 2HD1 LEU 15 0.829 10.602 -11.131 265 HD13 LEU 15 3HD1 LEU 15 2.129 9.834 -12.073 266 HD21 LEU 15 3HD2 LEU 15 -1.939 8.792 -12.825 267 HD22 LEU 15 1HD2 LEU 15 -1.549 10.032 -11.616 268 HD23 LEU 15 2HD2 LEU 15 -1.163 8.320 -11.318 269 H TYR 16 H TYR 16 0.548 11.016 -16.991 270 HA TYR 16 HA TYR 16 -0.738 13.577 -17.135 271 HB2 TYR 16 1HB TYR 16 0.843 11.931 -19.129 272 HB3 TYR 16 2HB TYR 16 0.044 13.423 -19.617 273 HD1 TYR 16 HD1 TYR 16 0.660 15.614 -18.490 274 HD2 TYR 16 HD2 TYR 16 2.958 12.022 -17.963 275 HE1 TYR 16 HE1 TYR 16 2.601 16.963 -17.685 276 HE2 TYR 16 HE2 TYR 16 4.902 13.377 -17.191 277 HH TYR 16 HH TYR 16 4.762 16.925 -16.923 278 H LEU 17 H LEU 17 -1.497 10.426 -18.626 279 HA LEU 17 HA LEU 17 -3.540 11.515 -20.351 280 HB2 LEU 17 1HB LEU 17 -3.219 8.700 -19.275 281 HB3 LEU 17 2HB LEU 17 -4.258 9.191 -20.597 282 HG LEU 17 HG LEU 17 -1.227 9.370 -20.640 283 HD11 LEU 17 1HD1 LEU 17 -1.315 7.356 -22.041 284 HD12 LEU 17 2HD1 LEU 17 -3.084 7.282 -21.855 285 HD13 LEU 17 3HD1 LEU 17 -2.022 7.037 -20.445 286 HD21 LEU 17 3HD2 LEU 17 -3.303 9.640 -22.853 287 HD22 LEU 17 1HD2 LEU 17 -1.540 9.593 -23.091 288 HD23 LEU 17 2HD2 LEU 17 -2.276 10.939 -22.201 289 H VAL 18 H VAL 18 -3.609 9.943 -17.142 290 HA VAL 18 HA VAL 18 -6.519 9.861 -17.146 291 HB VAL 18 HB VAL 18 -4.504 9.289 -14.926 292 HG11 VAL 18 1HG1 VAL 18 -7.486 8.661 -15.116 293 HG12 VAL 18 2HG1 VAL 18 -6.380 8.004 -13.884 294 HG13 VAL 18 3HG1 VAL 18 -6.699 9.746 -13.944 295 HG21 VAL 18 3HG2 VAL 18 -5.127 6.898 -15.544 296 HG22 VAL 18 1HG2 VAL 18 -5.903 7.557 -16.996 297 HG23 VAL 18 2HG2 VAL 18 -4.157 7.772 -16.739 298 H CYS 19 H CYS 19 -4.052 11.887 -15.531 299 HA CYS 19 HA CYS 19 -6.196 13.413 -14.197 300 HB2 CYS 19 1HB CYS 19 -3.407 13.065 -13.786 301 HB3 CYS 19 2HB CYS 19 -3.655 14.770 -14.199 302 H GLY 20 H GLY 20 -4.566 13.380 -17.267 303 HA2 GLY 20 1HA GLY 20 -4.906 14.756 -19.082 304 HA3 GLY 20 2HA GLY 20 -6.229 15.528 -18.190 305 H GLU 21 H GLU 21 -5.554 17.511 -19.123 306 HA GLU 21 HA GLU 21 -2.936 18.583 -18.753 307 HB2 GLU 21 1HB GLU 21 -5.591 19.920 -19.356 308 HB3 GLU 21 2HB GLU 21 -4.019 20.724 -19.444 309 HG2 GLU 21 1HG GLU 21 -3.289 19.095 -21.161 310 HG3 GLU 21 2HG GLU 21 -4.891 18.343 -21.115 311 HE2 GLU 21 HE2 GLU 21 -4.312 21.262 -23.468 312 H ARG 22 H ARG 22 -5.290 18.191 -16.277 313 HA ARG 22 HA ARG 22 -4.851 20.745 -15.004 314 HB2 ARG 22 1HB ARG 22 -6.311 20.065 -13.429 315 HB3 ARG 22 2HB ARG 22 -6.746 18.926 -14.703 316 HG2 ARG 22 1HG ARG 22 -5.129 17.281 -13.572 317 HG3 ARG 22 2HG ARG 22 -5.077 18.436 -12.221 318 HD2 ARG 22 1HD ARG 22 -6.753 16.937 -11.627 319 HD3 ARG 22 2HD ARG 22 -7.635 18.331 -12.301 320 HE ARG 22 HE ARG 22 -7.050 16.521 -14.397 321 HH11 ARG 22 1HH1 ARG 22 -9.125 16.612 -11.533 322 HH12 ARG 22 2HH1 ARG 22 -10.279 15.504 -12.221 323 HH21 ARG 22 1HH2 ARG 22 -8.539 15.109 -15.193 324 HH22 ARG 22 2HH2 ARG 22 -9.953 14.667 -14.274 325 H GLY 23 H GLY 23 -2.936 17.938 -15.329 326 HA2 GLY 23 1HA GLY 23 -0.732 17.695 -14.588 327 HA3 GLY 23 2HA GLY 23 -0.953 19.052 -13.467 328 H PHE 24 H PHE 24 0.359 17.087 -12.375 329 HA PHE 24 HA PHE 24 -1.383 16.002 -10.315 330 HB2 PHE 24 1HB PHE 24 -0.796 13.646 -10.709 331 HB3 PHE 24 2HB PHE 24 -1.725 14.283 -12.066 332 HD1 PHE 24 HD1 PHE 24 -0.659 14.747 -14.229 333 HD2 PHE 24 HD2 PHE 24 1.523 12.986 -10.981 334 HE1 PHE 24 HE1 PHE 24 1.138 14.085 -15.794 335 HE2 PHE 24 HE2 PHE 24 3.322 12.291 -12.553 336 HZ PHE 24 HZ PHE 24 3.129 12.856 -14.977 337 H PHE 25 H PHE 25 0.306 14.489 -8.966 338 HA PHE 25 HA PHE 25 3.036 15.641 -9.256 339 HB2 PHE 25 1HB PHE 25 3.221 15.937 -6.867 340 HB3 PHE 25 2HB PHE 25 1.801 16.833 -7.419 341 HD1 PHE 25 HD2 PHE 25 -0.510 15.899 -6.976 342 HD2 PHE 25 HD1 PHE 25 3.044 14.127 -5.309 343 HE1 PHE 25 HE2 PHE 25 -1.900 14.642 -5.343 344 HE2 PHE 25 HE1 PHE 25 1.652 12.885 -3.658 345 HZ PHE 25 HZ PHE 25 -0.829 13.132 -3.684 346 H TYR 26 H TYR 26 4.651 14.230 -8.161 347 HA TYR 26 HA TYR 26 3.722 11.503 -7.522 348 HB2 TYR 26 1HB TYR 26 4.178 11.412 -9.951 349 HB3 TYR 26 2HB TYR 26 5.785 12.105 -9.682 350 HD1 TYR 26 HD1 TYR 26 3.640 9.160 -8.712 351 HD2 TYR 26 HD2 TYR 26 7.631 10.673 -9.288 352 HE1 TYR 26 HE1 TYR 26 4.571 6.881 -8.301 353 HE2 TYR 26 HE2 TYR 26 8.544 8.384 -8.910 354 HH TYR 26 HH TYR 26 8.081 6.212 -8.450 355 H THR 27 H THR 27 5.007 10.635 -5.936 356 HA THR 27 HA THR 27 7.380 12.257 -5.146 357 HB THR 27 HB THR 27 5.869 12.865 -3.512 358 HG1 THR 27 HG1 THR 27 7.423 12.208 -2.229 359 HG21 THR 27 1HG2 THR 27 4.406 11.156 -2.359 360 HG22 THR 27 2HG2 THR 27 4.849 10.034 -3.665 361 HG23 THR 27 3HG2 THR 27 3.993 11.543 -4.041 362 HA PRO 28 HA PRO 28 8.856 8.033 -5.770 363 HB2 PRO 28 1HB PRO 28 11.445 8.636 -6.360 364 HB3 PRO 28 2HB PRO 28 10.116 8.922 -7.523 365 HG2 PRO 28 1HG PRO 28 11.466 10.849 -5.680 366 HG3 PRO 28 2HG PRO 28 11.050 11.037 -7.411 367 HD2 PRO 28 1HD PRO 28 9.534 12.044 -5.350 368 HD3 PRO 28 2HD PRO 28 8.804 11.547 -6.912 369 H LYS 29 H LYS 29 10.233 6.582 -4.627 370 HA LYS 29 HA LYS 29 11.944 7.528 -2.483 371 HB2 LYS 29 1HB LYS 29 10.763 6.036 -0.799 372 HB3 LYS 29 2HB LYS 29 10.018 7.581 -1.159 373 HG2 LYS 29 1HG LYS 29 8.588 6.088 -2.890 374 HG3 LYS 29 2HG LYS 29 9.038 4.815 -1.748 375 HD2 LYS 29 1HD LYS 29 7.068 5.551 -0.799 376 HD3 LYS 29 2HD LYS 29 8.215 6.595 0.057 377 HE2 LYS 29 1HE LYS 29 6.709 7.399 -2.483 378 HE3 LYS 29 2HE LYS 29 6.141 7.761 -0.851 379 HZ1 LYS 29 3HZ LYS 29 7.289 9.638 -1.867 380 HZ2 LYS 29 1HZ LYS 29 8.681 8.767 -2.011 381 HZ3 LYS 29 2HZ LYS 29 8.091 9.135 -0.514 382 H THR 30 H THR 30 13.335 5.794 -1.804 383 HA THR 30 HA THR 30 13.406 3.536 -3.752 384 HB THR 30 HB THR 30 15.857 3.454 -2.848 385 HG1 THR 30 HG1 THR 30 16.493 5.533 -2.032 386 HG21 THR 30 1HG2 THR 30 15.225 4.339 -5.143 387 HG22 THR 30 2HG2 THR 30 16.567 5.242 -4.430 388 HG23 THR 30 3HG2 THR 30 14.941 5.939 -4.431 389 HXT THR 30 H02 THR 30 13.400 2.503 -0.020 Start of MODEL 41 1 H1 GLY 1 3H0 GLY 1 6.562 -0.762 -0.636 2 H2 GLY 1 2H0 GLY 1 4.944 -1.008 -0.836 3 H3 GLY 1 1H0 GLY 1 5.960 -1.122 -2.128 4 HA2 GLY 1 1HA GLY 1 5.400 1.337 -0.603 5 HA3 GLY 1 2HA GLY 1 6.503 1.217 -1.986 6 H ILE 2 H ILE 2 4.358 3.044 -2.038 7 HA ILE 2 HA ILE 2 1.941 1.992 -3.052 8 HB ILE 2 HB ILE 2 2.396 4.324 -2.120 9 HG12 ILE 2 1HG1 ILE 2 0.883 4.169 -4.740 10 HG13 ILE 2 2HG1 ILE 2 0.278 3.633 -3.181 11 HG21 ILE 2 1HG2 ILE 2 3.215 6.108 -3.553 12 HG22 ILE 2 2HG2 ILE 2 4.414 4.801 -3.624 13 HG23 ILE 2 3HG2 ILE 2 3.274 5.037 -4.968 14 HD11 ILE 2 3HD1 ILE 2 0.917 6.504 -3.986 15 HD12 ILE 2 1HD1 ILE 2 -0.683 5.800 -3.682 16 HD13 ILE 2 2HD1 ILE 2 0.461 5.999 -2.338 17 H VAL 3 H VAL 3 4.940 2.744 -4.753 18 HA VAL 3 HA VAL 3 3.883 2.746 -7.393 19 HB VAL 3 HB VAL 3 6.093 3.683 -6.723 20 HG11 VAL 3 1HG1 VAL 3 6.814 1.942 -5.144 21 HG12 VAL 3 2HG1 VAL 3 7.029 0.794 -6.495 22 HG13 VAL 3 3HG1 VAL 3 8.046 2.246 -6.381 23 HG21 VAL 3 3HG2 VAL 3 6.361 1.544 -8.863 24 HG22 VAL 3 1HG2 VAL 3 5.635 3.150 -9.086 25 HG23 VAL 3 2HG2 VAL 3 7.357 3.006 -8.685 26 H GLU 4 H GLU 4 4.640 0.107 -5.202 27 HA GLU 4 HA GLU 4 5.148 -1.913 -7.109 28 HB2 GLU 4 1HB GLU 4 5.547 -1.933 -4.591 29 HB3 GLU 4 2HB GLU 4 3.822 -2.259 -4.402 30 HG2 GLU 4 1HG GLU 4 4.921 -4.348 -4.270 31 HG3 GLU 4 2HG GLU 4 4.149 -4.298 -5.858 32 HE2 GLU 4 HE2 GLU 4 5.640 -5.916 -6.120 33 H GLN 5 H GLN 5 2.154 -0.552 -5.820 34 HA GLN 5 HA GLN 5 0.367 -2.616 -6.578 35 HB2 GLN 5 1HB GLN 5 -0.007 0.394 -6.398 36 HB3 GLN 5 2HB GLN 5 -1.331 -0.765 -6.564 37 HG2 GLN 5 1HG GLN 5 -0.845 -1.753 -4.423 38 HG3 GLN 5 2HG GLN 5 0.667 -0.845 -4.278 39 HE21 GLN 5 2HE2 GLN 5 -2.863 -0.410 -4.511 40 HE22 GLN 5 1HE2 GLN 5 -2.892 1.040 -3.537 41 H CYS 6 H CYS 6 1.831 0.014 -8.481 42 HA CYS 6 HA CYS 6 0.137 -0.762 -10.792 43 HB2 CYS 6 1HB CYS 6 2.274 1.379 -10.593 44 HB3 CYS 6 2HB CYS 6 1.126 1.146 -11.911 45 H CYS 7 H CYS 7 3.347 -1.228 -9.524 46 HA CYS 7 HA CYS 7 4.504 -1.869 -12.095 47 HB2 CYS 7 1HB CYS 7 5.382 -1.914 -9.240 48 HB3 CYS 7 2HB CYS 7 6.237 -2.978 -10.362 49 H THR 8 H THR 8 3.423 -3.844 -9.265 50 HA THR 8 HA THR 8 4.212 -6.271 -10.722 51 HB THR 8 HB THR 8 4.536 -5.854 -8.182 52 HG1 THR 8 HG1 THR 8 4.699 -7.907 -9.385 53 HG21 THR 8 1HG2 THR 8 2.764 -6.484 -6.702 54 HG22 THR 8 2HG2 THR 8 1.715 -6.971 -8.045 55 HG23 THR 8 3HG2 THR 8 2.080 -5.252 -7.783 56 H SER 9 H SER 9 1.297 -4.434 -10.186 57 HA SER 9 HA SER 9 -0.122 -6.451 -11.804 58 HB2 SER 9 1HB SER 9 -2.088 -6.391 -10.251 59 HB3 SER 9 2HB SER 9 -0.646 -7.065 -9.463 60 HG SER 9 HG SER 9 -1.710 -5.530 -8.144 61 H ILE 10 H ILE 10 -2.658 -5.235 -11.821 62 HA ILE 10 HA ILE 10 -1.824 -2.978 -13.527 63 HB ILE 10 HB ILE 10 -4.558 -4.313 -13.291 64 HG12 ILE 10 1HG1 ILE 10 -2.856 -5.936 -14.027 65 HG13 ILE 10 2HG1 ILE 10 -4.048 -5.580 -15.272 66 HG21 ILE 10 1HG2 ILE 10 -3.416 -2.403 -15.394 67 HG22 ILE 10 2HG2 ILE 10 -4.985 -3.243 -15.511 68 HG23 ILE 10 3HG2 ILE 10 -4.720 -2.051 -14.234 69 HD11 ILE 10 3HD1 ILE 10 -1.290 -4.316 -15.210 70 HD12 ILE 10 1HD1 ILE 10 -1.707 -5.783 -16.121 71 HD13 ILE 10 2HD1 ILE 10 -2.480 -4.245 -16.516 72 H CYS 11 H CYS 11 -1.877 -0.967 -12.783 73 HA CYS 11 HA CYS 11 -3.933 -0.147 -10.816 74 HB2 CYS 11 1HB CYS 11 -1.646 1.237 -12.229 75 HB3 CYS 11 2HB CYS 11 -2.955 2.180 -11.506 76 H SER 12 H SER 12 -5.942 0.048 -11.592 77 HA SER 12 HA SER 12 -6.484 0.513 -14.419 78 HB2 SER 12 1HB SER 12 -8.828 0.594 -13.701 79 HB3 SER 12 2HB SER 12 -8.014 -0.782 -12.918 80 HG SER 12 HG SER 12 -9.037 0.213 -11.278 81 H LEU 13 H LEU 13 -7.949 2.477 -14.979 82 HA LEU 13 HA LEU 13 -6.495 4.843 -14.467 83 HB2 LEU 13 1HB LEU 13 -8.225 6.000 -15.644 84 HB3 LEU 13 2HB LEU 13 -7.919 4.460 -16.428 85 HG LEU 13 HG LEU 13 -10.036 3.781 -14.838 86 HD11 LEU 13 1HD1 LEU 13 -10.470 6.677 -15.694 87 HD12 LEU 13 2HD1 LEU 13 -10.362 6.083 -14.021 88 HD13 LEU 13 3HD1 LEU 13 -11.718 5.585 -15.049 89 HD21 LEU 13 3HD2 LEU 13 -9.773 3.321 -17.238 90 HD22 LEU 13 1HD2 LEU 13 -10.148 5.024 -17.613 91 HD23 LEU 13 2HD2 LEU 13 -11.386 3.971 -16.884 92 H TYR 14 H TYR 14 -9.144 3.392 -12.645 93 HA TYR 14 HA TYR 14 -9.865 5.765 -11.200 94 HB2 TYR 14 1HB TYR 14 -10.097 2.892 -10.255 95 HB3 TYR 14 2HB TYR 14 -11.101 4.273 -9.780 96 HD1 TYR 14 HD1 TYR 14 -12.560 5.374 -11.650 97 HD2 TYR 14 HD2 TYR 14 -10.700 1.520 -12.086 98 HE1 TYR 14 HE1 TYR 14 -14.111 4.830 -13.530 99 HE2 TYR 14 HE2 TYR 14 -12.239 0.994 -13.983 100 HH TYR 14 HH TYR 14 -14.753 3.267 -15.079 101 H GLN 15 H GLN 15 -7.565 3.095 -10.590 102 HA GLN 15 HA GLN 15 -6.656 4.079 -8.008 103 HB2 GLN 15 1HB GLN 15 -5.091 2.457 -10.062 104 HB3 GLN 15 2HB GLN 15 -4.779 2.580 -8.330 105 HG2 GLN 15 1HG GLN 15 -7.104 1.208 -9.707 106 HG3 GLN 15 2HG GLN 15 -5.804 0.449 -8.790 107 HE21 GLN 15 2HE2 GLN 15 -5.657 1.469 -6.430 108 HE22 GLN 15 1HE2 GLN 15 -7.197 1.563 -5.613 109 H LEU 16 H LEU 16 -5.651 4.572 -11.419 110 HA LEU 16 HA LEU 16 -3.358 6.118 -10.731 111 HB2 LEU 16 1HB LEU 16 -5.039 5.995 -13.221 112 HB3 LEU 16 2HB LEU 16 -3.594 7.003 -13.099 113 HG LEU 16 HG LEU 16 -3.602 4.004 -12.601 114 HD11 LEU 16 1HD1 LEU 16 -4.249 4.479 -14.916 115 HD12 LEU 16 2HD1 LEU 16 -2.644 3.740 -14.815 116 HD13 LEU 16 3HD1 LEU 16 -2.796 5.489 -15.116 117 HD21 LEU 16 3HD2 LEU 16 -1.339 5.990 -13.071 118 HD22 LEU 16 1HD2 LEU 16 -1.148 4.224 -12.969 119 HD23 LEU 16 2HD2 LEU 16 -1.701 5.132 -11.554 120 H GLU 17 H GLU 17 -6.778 7.155 -11.193 121 HA GLU 17 HA GLU 17 -6.189 9.960 -10.987 122 HB2 GLU 17 1HB GLU 17 -8.650 8.327 -10.326 123 HB3 GLU 17 2HB GLU 17 -8.559 10.060 -9.995 124 HG2 GLU 17 1HG GLU 17 -7.884 10.322 -12.457 125 HG3 GLU 17 2HG GLU 17 -8.498 8.674 -12.663 126 HE2 GLU 17 HE2 GLU 17 -11.754 9.611 -12.175 127 H ASN 18 H ASN 18 -6.486 7.428 -8.530 128 HA ASN 18 HA ASN 18 -6.659 9.186 -6.292 129 HB2 ASN 18 1HB ASN 18 -7.133 7.301 -5.310 130 HB3 ASN 18 2HB ASN 18 -6.602 6.396 -6.735 131 HD21 ASN 18 2HD2 ASN 18 -4.442 5.786 -6.905 132 HD22 ASN 18 1HD2 ASN 18 -3.549 5.513 -5.454 133 H TYR 19 H TYR 19 -3.898 8.276 -8.247 134 HA TYR 19 HA TYR 19 -1.902 9.107 -6.295 135 HB2 TYR 19 1HB TYR 19 -1.869 8.700 -9.283 136 HB3 TYR 19 2HB TYR 19 -0.448 9.277 -8.434 137 HD1 TYR 19 HD2 TYR 19 -2.749 6.435 -8.865 138 HD2 TYR 19 HD1 TYR 19 0.894 7.754 -7.065 139 HE1 TYR 19 HE2 TYR 19 -2.213 4.083 -8.296 140 HE2 TYR 19 HE1 TYR 19 1.471 5.387 -6.515 141 HH TYR 19 HH TYR 19 0.738 3.155 -6.526 142 H CYS 20 H CYS 20 -4.062 10.817 -8.450 143 HA CYS 20 HA CYS 20 -2.527 13.322 -7.893 144 HB2 CYS 20 1HB CYS 20 -3.639 14.288 -9.863 145 HB3 CYS 20 2HB CYS 20 -2.583 12.932 -10.225 146 H ASN 21 H ASN 21 -4.078 12.191 -5.954 147 HA ASN 21 HA ASN 21 -6.710 13.400 -5.820 148 HB2 ASN 21 1HB ASN 21 -6.064 11.420 -4.420 149 HB3 ASN 21 2HB ASN 21 -4.907 12.431 -3.545 150 HD21 ASN 21 2HD2 ASN 21 -5.673 12.980 -1.616 151 HD22 ASN 21 1HD2 ASN 21 -7.319 13.452 -1.289 152 HXT ASN 21 H02 ASN 21 -5.971 15.234 -6.598 153 H1 PHE 1 3H0 PHE 1 -8.727 4.577 -22.168 154 H2 PHE 1 2H0 PHE 1 -8.485 3.386 -23.285 155 H3 PHE 1 1H0 PHE 1 -9.449 3.104 -21.979 156 HA PHE 1 HA PHE 1 -6.545 3.597 -21.904 157 HB2 PHE 1 1HB PHE 1 -8.023 4.447 -19.970 158 HB3 PHE 1 2HB PHE 1 -8.337 2.746 -19.607 159 HD1 PHE 1 HD2 PHE 1 -5.641 5.323 -19.905 160 HD2 PHE 1 HD1 PHE 1 -6.730 1.437 -18.394 161 HE1 PHE 1 HE2 PHE 1 -3.515 5.233 -18.615 162 HE2 PHE 1 HE1 PHE 1 -4.603 1.344 -17.097 163 HZ PHE 1 HZ PHE 1 -2.988 3.237 -17.221 164 H VAL 2 H VAL 2 -5.307 1.633 -21.219 165 HA VAL 2 HA VAL 2 -6.772 -0.909 -21.682 166 HB VAL 2 HB VAL 2 -5.751 -0.189 -23.877 167 HG11 VAL 2 1HG1 VAL 2 -3.327 -0.179 -24.183 168 HG12 VAL 2 2HG1 VAL 2 -3.783 1.035 -22.974 169 HG13 VAL 2 3HG1 VAL 2 -3.071 -0.514 -22.458 170 HG21 VAL 2 3HG2 VAL 2 -4.693 -2.317 -24.399 171 HG22 VAL 2 1HG2 VAL 2 -4.405 -2.647 -22.676 172 HG23 VAL 2 2HG2 VAL 2 -6.071 -2.592 -23.317 173 H ASN 3 H ASN 3 -5.845 -2.646 -20.496 174 HA ASN 3 HA ASN 3 -4.475 -1.779 -18.124 175 HB2 ASN 3 1HB ASN 3 -4.387 -4.058 -17.444 176 HB3 ASN 3 2HB ASN 3 -5.990 -3.792 -18.164 177 HD21 ASN 3 2HD2 ASN 3 -6.348 -4.709 -20.322 178 HD22 ASN 3 1HD2 ASN 3 -5.380 -6.065 -20.836 179 H GLN 4 H GLN 4 -2.417 -1.764 -17.568 180 HA GLN 4 HA GLN 4 -0.469 -3.473 -18.843 181 HB2 GLN 4 1HB GLN 4 1.052 -1.596 -19.510 182 HB3 GLN 4 2HB GLN 4 -0.388 -1.729 -20.521 183 HG2 GLN 4 1HG GLN 4 -1.436 0.106 -19.180 184 HG3 GLN 4 2HG GLN 4 0.100 0.306 -18.341 185 HE21 GLN 4 2HE2 GLN 4 -1.762 1.097 -21.057 186 HE22 GLN 4 1HE2 GLN 4 -0.530 1.962 -21.951 187 H HIS 5 H HIS 5 1.196 -3.783 -17.395 188 HA HIS 5 HA HIS 5 1.059 -2.554 -14.741 189 HB2 HIS 5 1HB HIS 5 3.349 -4.070 -16.070 190 HB3 HIS 5 2HB HIS 5 3.224 -3.655 -14.358 191 HD1 HIS 5 HD1 HIS 5 0.535 -4.570 -13.482 192 HD2 HIS 5 HD2 HIS 5 2.770 -6.719 -16.225 193 HE1 HIS 5 HE1 HIS 5 -0.374 -6.973 -13.512 194 HE2 HIS 5 HE2 HIS 5 1.030 -8.248 -15.158 195 H LEU 6 H LEU 6 2.467 -0.916 -13.948 196 HA LEU 6 HA LEU 6 3.869 0.674 -16.067 197 HB2 LEU 6 1HB LEU 6 1.877 1.593 -13.982 198 HB3 LEU 6 2HB LEU 6 2.872 2.681 -14.929 199 HG LEU 6 HG LEU 6 0.889 0.787 -16.195 200 HD11 LEU 6 1HD1 LEU 6 -0.646 2.721 -16.287 201 HD12 LEU 6 2HD1 LEU 6 0.484 3.652 -15.275 202 HD13 LEU 6 3HD1 LEU 6 -0.314 2.201 -14.625 203 HD21 LEU 6 3HD2 LEU 6 2.546 1.648 -17.739 204 HD22 LEU 6 1HD2 LEU 6 2.296 3.307 -17.139 205 HD23 LEU 6 2HD2 LEU 6 1.011 2.479 -18.035 206 H CYS 7 H CYS 7 5.904 1.113 -15.482 207 HA CYS 7 HA CYS 7 6.460 1.697 -12.605 208 HB2 CYS 7 1HB CYS 7 8.168 0.045 -14.512 209 HB3 CYS 7 2HB CYS 7 8.673 0.590 -12.910 210 H GLY 8 H GLY 8 8.305 3.108 -12.302 211 HA2 GLY 8 1HA GLY 8 9.618 4.921 -12.842 212 HA3 GLY 8 2HA GLY 8 9.997 4.010 -14.305 213 H SER 9 H SER 9 10.011 5.429 -15.893 214 HA SER 9 HA SER 9 8.490 7.797 -16.044 215 HB2 SER 9 1HB SER 9 9.083 7.640 -18.516 216 HB3 SER 9 2HB SER 9 10.453 7.537 -17.386 217 HG SER 9 HG SER 9 10.515 5.914 -19.018 218 H HIS 10 H HIS 10 7.620 4.490 -17.081 219 HA HIS 10 HA HIS 10 5.460 5.320 -18.786 220 HB2 HIS 10 1HB HIS 10 6.303 2.784 -17.483 221 HB3 HIS 10 2HB HIS 10 4.597 2.918 -17.904 222 HD1 HIS 10 HD1 HIS 10 3.987 2.236 -20.245 223 HD2 HIS 10 HD2 HIS 10 7.997 3.425 -19.897 224 HE1 HIS 10 HE1 HIS 10 5.069 1.879 -22.524 225 HE2 HIS 10 HE2 HIS 10 7.485 2.598 -22.298 226 H LEU 11 H LEU 11 5.662 4.753 -15.282 227 HA LEU 11 HA LEU 11 2.814 4.832 -14.869 228 HB2 LEU 11 1HB LEU 11 4.493 3.904 -13.272 229 HB3 LEU 11 2HB LEU 11 5.081 5.534 -12.971 230 HG LEU 11 HG LEU 11 2.969 6.157 -11.921 231 HD11 LEU 11 1HD1 LEU 11 1.240 4.452 -11.471 232 HD12 LEU 11 2HD1 LEU 11 2.112 3.300 -12.512 233 HD13 LEU 11 3HD1 LEU 11 1.398 4.783 -13.202 234 HD21 LEU 11 3HD2 LEU 11 4.079 3.493 -10.931 235 HD22 LEU 11 1HD2 LEU 11 3.117 4.643 -9.969 236 HD23 LEU 11 2HD2 LEU 11 4.725 5.115 -10.556 237 H VAL 12 H VAL 12 5.399 7.257 -14.839 238 HA VAL 12 HA VAL 12 3.757 9.472 -14.050 239 HB VAL 12 HB VAL 12 6.363 9.374 -15.647 240 HG11 VAL 12 1HG1 VAL 12 5.197 11.673 -14.063 241 HG12 VAL 12 2HG1 VAL 12 6.730 11.662 -14.959 242 HG13 VAL 12 3HG1 VAL 12 5.195 11.549 -15.837 243 HG21 VAL 12 3HG2 VAL 12 7.422 9.855 -13.421 244 HG22 VAL 12 1HG2 VAL 12 5.831 9.629 -12.655 245 HG23 VAL 12 2HG2 VAL 12 6.626 8.273 -13.484 246 H GLU 13 H GLU 13 4.730 8.160 -17.242 247 HA GLU 13 HA GLU 13 3.496 10.180 -18.841 248 HB2 GLU 13 1HB GLU 13 4.161 7.268 -19.297 249 HB3 GLU 13 2HB GLU 13 3.441 8.266 -20.563 250 HG2 GLU 13 1HG GLU 13 5.341 9.658 -20.730 251 HG3 GLU 13 2HG GLU 13 5.980 9.129 -19.172 252 HE2 GLU 13 HE2 GLU 13 7.489 9.163 -21.115 253 H ALA 14 H ALA 14 2.258 7.201 -17.359 254 HA ALA 14 HA ALA 14 -0.259 7.251 -18.767 255 HB1 ALA 14 3HB ALA 14 0.495 5.982 -16.107 256 HB2 ALA 14 1HB ALA 14 -0.961 5.615 -17.064 257 HB3 ALA 14 2HB ALA 14 0.651 5.223 -17.709 258 H LEU 15 H LEU 15 0.897 8.601 -15.673 259 HA LEU 15 HA LEU 15 -1.677 9.345 -14.708 260 HB2 LEU 15 1HB LEU 15 1.142 10.262 -14.148 261 HB3 LEU 15 2HB LEU 15 -0.225 11.103 -13.426 262 HG LEU 15 HG LEU 15 0.230 8.131 -13.062 263 HD11 LEU 15 1HD1 LEU 15 1.006 10.384 -11.187 264 HD12 LEU 15 2HD1 LEU 15 2.138 9.385 -12.132 265 HD13 LEU 15 3HD1 LEU 15 1.138 8.638 -10.865 266 HD21 LEU 15 3HD2 LEU 15 -1.326 8.344 -11.265 267 HD22 LEU 15 1HD2 LEU 15 -2.071 9.019 -12.714 268 HD23 LEU 15 2HD2 LEU 15 -1.412 10.110 -11.477 269 H TYR 16 H TYR 16 0.536 11.010 -16.960 270 HA TYR 16 HA TYR 16 -0.793 13.547 -16.940 271 HB2 TYR 16 1HB TYR 16 0.683 12.028 -19.119 272 HB3 TYR 16 2HB TYR 16 -0.091 13.580 -19.431 273 HD1 TYR 16 HD1 TYR 16 0.610 15.622 -18.026 274 HD2 TYR 16 HD2 TYR 16 2.875 11.973 -18.172 275 HE1 TYR 16 HE1 TYR 16 2.623 16.828 -17.168 276 HE2 TYR 16 HE2 TYR 16 4.886 13.190 -17.336 277 HH TYR 16 HH TYR 16 4.824 16.658 -16.544 278 H LEU 17 H LEU 17 -1.484 10.528 -18.715 279 HA LEU 17 HA LEU 17 -3.593 11.710 -20.284 280 HB2 LEU 17 1HB LEU 17 -3.083 8.815 -19.548 281 HB3 LEU 17 2HB LEU 17 -4.186 9.389 -20.789 282 HG LEU 17 HG LEU 17 -1.174 9.797 -20.848 283 HD11 LEU 17 1HD1 LEU 17 -1.773 7.411 -20.948 284 HD12 LEU 17 2HD1 LEU 17 -1.149 7.986 -22.508 285 HD13 LEU 17 3HD1 LEU 17 -2.899 7.743 -22.290 286 HD21 LEU 17 3HD2 LEU 17 -3.316 10.189 -22.983 287 HD22 LEU 17 1HD2 LEU 17 -1.560 10.301 -23.253 288 HD23 LEU 17 2HD2 LEU 17 -2.366 11.466 -22.187 289 H VAL 18 H VAL 18 -3.547 9.830 -17.251 290 HA VAL 18 HA VAL 18 -6.446 9.564 -17.260 291 HB VAL 18 HB VAL 18 -4.394 8.984 -15.076 292 HG11 VAL 18 1HG1 VAL 18 -6.547 9.249 -14.054 293 HG12 VAL 18 2HG1 VAL 18 -7.343 8.287 -15.320 294 HG13 VAL 18 3HG1 VAL 18 -6.227 7.518 -14.173 295 HG21 VAL 18 3HG2 VAL 18 -5.728 7.228 -17.175 296 HG22 VAL 18 1HG2 VAL 18 -3.998 7.604 -17.022 297 HG23 VAL 18 2HG2 VAL 18 -4.793 6.613 -15.797 298 H CYS 19 H CYS 19 -4.093 11.592 -15.469 299 HA CYS 19 HA CYS 19 -6.288 12.838 -13.978 300 HB2 CYS 19 1HB CYS 19 -3.358 13.595 -14.181 301 HB3 CYS 19 2HB CYS 19 -4.523 14.234 -13.008 302 H GLY 20 H GLY 20 -4.740 13.212 -17.066 303 HA2 GLY 20 1HA GLY 20 -5.316 14.630 -18.777 304 HA3 GLY 20 2HA GLY 20 -6.657 15.213 -17.783 305 H GLU 21 H GLU 21 -6.336 17.305 -18.565 306 HA GLU 21 HA GLU 21 -3.891 18.736 -18.430 307 HB2 GLU 21 1HB GLU 21 -6.020 19.254 -19.737 308 HB3 GLU 21 2HB GLU 21 -6.682 19.919 -18.241 309 HG2 GLU 21 1HG GLU 21 -4.052 21.048 -18.796 310 HG3 GLU 21 2HG GLU 21 -5.125 21.239 -20.187 311 HE2 GLU 21 HE2 GLU 21 -4.722 21.800 -16.918 312 H ARG 22 H ARG 22 -5.885 17.741 -15.824 313 HA ARG 22 HA ARG 22 -5.517 19.980 -14.035 314 HB2 ARG 22 1HB ARG 22 -5.887 17.012 -13.481 315 HB3 ARG 22 2HB ARG 22 -5.949 18.276 -12.254 316 HG2 ARG 22 1HG ARG 22 -7.914 19.265 -13.291 317 HG3 ARG 22 2HG ARG 22 -7.851 18.090 -14.617 318 HD2 ARG 22 1HD ARG 22 -8.161 17.315 -11.691 319 HD3 ARG 22 2HD ARG 22 -9.525 17.560 -12.802 320 HE ARG 22 HE ARG 22 -7.705 15.740 -14.012 321 HH11 ARG 22 1HH1 ARG 22 -9.938 15.776 -11.262 322 HH12 ARG 22 2HH1 ARG 22 -10.225 14.059 -11.370 323 HH21 ARG 22 1HH2 ARG 22 -8.156 13.573 -14.084 324 HH22 ARG 22 2HH2 ARG 22 -9.246 12.839 -12.927 325 H GLY 23 H GLY 23 -3.446 17.392 -15.152 326 HA2 GLY 23 1HA GLY 23 -1.167 17.116 -14.749 327 HA3 GLY 23 2HA GLY 23 -1.209 18.492 -13.619 328 H PHE 24 H PHE 24 0.222 16.799 -12.446 329 HA PHE 24 HA PHE 24 -1.388 15.597 -10.351 330 HB2 PHE 24 1HB PHE 24 -0.568 13.310 -10.646 331 HB3 PHE 24 2HB PHE 24 -1.524 13.809 -12.044 332 HD1 PHE 24 HD1 PHE 24 -0.465 14.298 -14.188 333 HD2 PHE 24 HD2 PHE 24 1.777 12.815 -10.840 334 HE1 PHE 24 HE1 PHE 24 1.381 13.687 -15.687 335 HE2 PHE 24 HE2 PHE 24 3.629 12.180 -12.356 336 HZ PHE 24 HZ PHE 24 3.429 12.644 -14.809 337 H PHE 25 H PHE 25 0.276 14.238 -8.963 338 HA PHE 25 HA PHE 25 2.980 15.446 -8.992 339 HB2 PHE 25 1HB PHE 25 2.776 15.820 -6.519 340 HB3 PHE 25 2HB PHE 25 1.726 16.889 -7.457 341 HD1 PHE 25 HD2 PHE 25 1.796 13.936 -5.204 342 HD2 PHE 25 HD1 PHE 25 -0.693 16.741 -7.317 343 HE1 PHE 25 HE2 PHE 25 -0.185 13.145 -3.917 344 HE2 PHE 25 HE1 PHE 25 -2.677 15.965 -6.023 345 HZ PHE 25 HZ PHE 25 -2.424 14.165 -4.319 346 H TYR 26 H TYR 26 4.305 14.053 -7.359 347 HA TYR 26 HA TYR 26 3.053 11.458 -6.762 348 HB2 TYR 26 1HB TYR 26 4.211 11.451 -9.120 349 HB3 TYR 26 2HB TYR 26 5.718 11.459 -8.193 350 HD1 TYR 26 HD1 TYR 26 6.214 9.508 -6.647 351 HD2 TYR 26 HD2 TYR 26 2.828 9.502 -9.286 352 HE1 TYR 26 HE1 TYR 26 5.966 7.053 -6.316 353 HE2 TYR 26 HE2 TYR 26 2.603 7.041 -8.989 354 HH TYR 26 HH TYR 26 3.397 5.181 -7.981 355 H THR 27 H THR 27 3.769 10.820 -4.771 356 HA THR 27 HA THR 27 6.215 12.157 -3.732 357 HB THR 27 HB THR 27 4.584 13.508 -2.789 358 HG1 THR 27 HG1 THR 27 4.764 13.055 -0.652 359 HG21 THR 27 1HG2 THR 27 2.554 12.541 -1.642 360 HG22 THR 27 2HG2 THR 27 2.962 10.988 -2.404 361 HG23 THR 27 3HG2 THR 27 2.577 12.403 -3.410 362 HA PRO 28 HA PRO 28 6.562 7.752 -2.738 363 HB2 PRO 28 1HB PRO 28 9.156 7.401 -3.426 364 HB3 PRO 28 2HB PRO 28 7.875 7.504 -4.679 365 HG2 PRO 28 1HG PRO 28 9.755 9.619 -3.687 366 HG3 PRO 28 2HG PRO 28 9.347 9.179 -5.374 367 HD2 PRO 28 1HD PRO 28 8.177 11.284 -3.999 368 HD3 PRO 28 2HD PRO 28 7.341 10.392 -5.306 369 H LYS 29 H LYS 29 7.519 6.831 -0.864 370 HA LYS 29 HA LYS 29 9.562 8.285 0.615 371 HB2 LYS 29 1HB LYS 29 8.162 8.322 2.695 372 HB3 LYS 29 2HB LYS 29 7.700 9.496 1.470 373 HG2 LYS 29 1HG LYS 29 5.838 7.965 0.769 374 HG3 LYS 29 2HG LYS 29 6.252 6.912 2.139 375 HD2 LYS 29 1HD LYS 29 5.845 8.779 3.700 376 HD3 LYS 29 2HD LYS 29 5.524 9.865 2.335 377 HE2 LYS 29 1HE LYS 29 3.407 9.180 3.264 378 HE3 LYS 29 2HE LYS 29 3.599 8.421 1.671 379 HZ1 LYS 29 3HZ LYS 29 4.082 7.101 4.281 380 HZ2 LYS 29 1HZ LYS 29 4.291 6.391 2.805 381 HZ3 LYS 29 2HZ LYS 29 2.782 6.845 3.296 382 H THR 30 H THR 30 10.656 6.926 1.976 383 HA THR 30 HA THR 30 9.784 4.217 2.555 384 HB THR 30 HB THR 30 10.362 4.011 0.130 385 HG1 THR 30 HG1 THR 30 12.105 2.749 2.015 386 HG21 THR 30 1HG2 THR 30 12.138 5.742 -0.070 387 HG22 THR 30 2HG2 THR 30 12.737 4.162 -0.584 388 HG23 THR 30 3HG2 THR 30 13.202 4.801 0.996 389 HXT THR 30 H02 THR 30 12.817 5.916 4.149 Start of MODEL 42 1 H1 GLY 1 3H0 GLY 1 5.837 1.442 -0.214 2 H2 GLY 1 2H0 GLY 1 4.308 0.909 -0.521 3 H3 GLY 1 1H0 GLY 1 5.464 0.804 -1.690 4 HA2 GLY 1 1HA GLY 1 4.359 3.313 -0.579 5 HA3 GLY 1 2HA GLY 1 5.623 3.213 -1.822 6 H ILE 2 H ILE 2 3.256 4.641 -2.417 7 HA ILE 2 HA ILE 2 1.211 2.974 -3.464 8 HB ILE 2 HB ILE 2 0.986 5.400 -2.864 9 HG12 ILE 2 1HG1 ILE 2 0.039 4.645 -5.643 10 HG13 ILE 2 2HG1 ILE 2 -0.701 4.118 -4.139 11 HG21 ILE 2 1HG2 ILE 2 2.251 5.978 -5.583 12 HG22 ILE 2 2HG2 ILE 2 1.622 7.164 -4.421 13 HG23 ILE 2 3HG2 ILE 2 3.069 6.221 -4.024 14 HD11 ILE 2 3HD1 ILE 2 -1.182 6.542 -3.590 15 HD12 ILE 2 1HD1 ILE 2 -0.578 6.976 -5.209 16 HD13 ILE 2 2HD1 ILE 2 -2.012 5.944 -5.044 17 H VAL 3 H VAL 3 4.106 4.297 -5.088 18 HA VAL 3 HA VAL 3 3.465 3.514 -7.725 19 HB VAL 3 HB VAL 3 5.301 5.041 -7.265 20 HG11 VAL 3 1HG1 VAL 3 7.425 4.331 -6.217 21 HG12 VAL 3 2HG1 VAL 3 6.065 4.189 -5.093 22 HG13 VAL 3 3HG1 VAL 3 6.732 2.732 -5.875 23 HG21 VAL 3 3HG2 VAL 3 6.536 2.503 -8.414 24 HG22 VAL 3 1HG2 VAL 3 5.464 3.593 -9.311 25 HG23 VAL 3 2HG2 VAL 3 7.028 4.186 -8.718 26 H GLU 4 H GLU 4 4.561 1.584 -5.023 27 HA GLU 4 HA GLU 4 5.566 -0.657 -6.468 28 HB2 GLU 4 1HB GLU 4 5.831 -0.050 -4.022 29 HB3 GLU 4 2HB GLU 4 4.187 -0.640 -3.770 30 HG2 GLU 4 1HG GLU 4 4.864 -2.878 -4.468 31 HG3 GLU 4 2HG GLU 4 6.508 -2.292 -4.771 32 HE2 GLU 4 HE2 GLU 4 6.580 -3.726 -1.561 33 H GLN 5 H GLN 5 2.272 0.287 -5.462 34 HA GLN 5 HA GLN 5 1.032 -2.236 -5.947 35 HB2 GLN 5 1HB GLN 5 0.029 -0.268 -4.724 36 HB3 GLN 5 2HB GLN 5 -0.189 0.529 -6.286 37 HG2 GLN 5 1HG GLN 5 -1.659 -1.332 -7.019 38 HG3 GLN 5 2HG GLN 5 -1.440 -2.112 -5.444 39 HE21 GLN 5 2HE2 GLN 5 -3.007 -1.758 -4.020 40 HE22 GLN 5 1HE2 GLN 5 -4.061 -0.363 -3.997 41 H CYS 6 H CYS 6 1.694 0.560 -8.075 42 HA CYS 6 HA CYS 6 0.279 -0.697 -10.297 43 HB2 CYS 6 1HB CYS 6 2.067 1.749 -10.247 44 HB3 CYS 6 2HB CYS 6 0.963 1.271 -11.545 45 H CYS 7 H CYS 7 3.423 -0.945 -8.997 46 HA CYS 7 HA CYS 7 4.625 -1.718 -11.553 47 HB2 CYS 7 1HB CYS 7 5.524 -1.642 -8.679 48 HB3 CYS 7 2HB CYS 7 6.395 -2.657 -9.837 49 H THR 8 H THR 8 3.418 -3.309 -8.558 50 HA THR 8 HA THR 8 3.987 -5.947 -9.682 51 HB THR 8 HB THR 8 4.213 -5.388 -7.220 52 HG1 THR 8 HG1 THR 8 3.371 -7.430 -6.620 53 HG21 THR 8 1HG2 THR 8 1.199 -5.736 -7.163 54 HG22 THR 8 2HG2 THR 8 2.009 -4.157 -7.041 55 HG23 THR 8 3HG2 THR 8 2.284 -5.394 -5.801 56 H SER 9 H SER 9 1.214 -3.788 -9.589 57 HA SER 9 HA SER 9 -0.243 -5.885 -11.089 58 HB2 SER 9 1HB SER 9 -1.005 -5.843 -8.646 59 HB3 SER 9 2HB SER 9 -1.582 -4.186 -8.922 60 HG SER 9 HG SER 9 -3.114 -6.037 -9.222 61 H ILE 10 H ILE 10 -2.491 -4.666 -11.807 62 HA ILE 10 HA ILE 10 -1.253 -3.249 -13.957 63 HB ILE 10 HB ILE 10 -4.176 -3.816 -13.333 64 HG12 ILE 10 1HG1 ILE 10 -2.755 -5.808 -13.649 65 HG13 ILE 10 2HG1 ILE 10 -3.974 -5.637 -14.908 66 HG21 ILE 10 1HG2 ILE 10 -4.568 -3.392 -15.803 67 HG22 ILE 10 2HG2 ILE 10 -4.221 -1.942 -14.847 68 HG23 ILE 10 3HG2 ILE 10 -2.948 -2.646 -15.863 69 HD11 ILE 10 3HD1 ILE 10 -1.832 -6.386 -15.838 70 HD12 ILE 10 1HD1 ILE 10 -2.255 -4.788 -16.468 71 HD13 ILE 10 2HD1 ILE 10 -1.030 -4.937 -15.208 72 H CYS 11 H CYS 11 -3.433 -2.002 -11.403 73 HA CYS 11 HA CYS 11 -4.204 0.104 -10.990 74 HB2 CYS 11 1HB CYS 11 -1.510 0.813 -12.128 75 HB3 CYS 11 2HB CYS 11 -2.674 2.051 -11.656 76 H SER 12 H SER 12 -5.960 -0.283 -12.403 77 HA SER 12 HA SER 12 -5.965 0.656 -15.143 78 HB2 SER 12 1HB SER 12 -8.432 0.576 -14.875 79 HB3 SER 12 2HB SER 12 -7.668 -0.908 -14.266 80 HG SER 12 HG SER 12 -9.044 -0.304 -12.683 81 H LEU 13 H LEU 13 -7.406 2.631 -15.744 82 HA LEU 13 HA LEU 13 -6.212 4.939 -14.733 83 HB2 LEU 13 1HB LEU 13 -7.776 6.189 -15.999 84 HB3 LEU 13 2HB LEU 13 -7.393 4.724 -16.889 85 HG LEU 13 HG LEU 13 -9.678 3.931 -15.627 86 HD11 LEU 13 1HD1 LEU 13 -11.316 5.778 -15.810 87 HD12 LEU 13 2HD1 LEU 13 -10.006 6.908 -16.221 88 HD13 LEU 13 3HD1 LEU 13 -10.066 6.155 -14.611 89 HD21 LEU 13 3HD2 LEU 13 -9.159 3.722 -18.019 90 HD22 LEU 13 1HD2 LEU 13 -9.472 5.460 -18.248 91 HD23 LEU 13 2HD2 LEU 13 -10.794 4.366 -17.774 92 H TYR 14 H TYR 14 -9.030 3.275 -13.435 93 HA TYR 14 HA TYR 14 -9.991 5.456 -11.843 94 HB2 TYR 14 1HB TYR 14 -10.256 2.487 -11.286 95 HB3 TYR 14 2HB TYR 14 -11.345 3.782 -10.764 96 HD1 TYR 14 HD2 TYR 14 -12.624 5.090 -12.617 97 HD2 TYR 14 HD1 TYR 14 -10.573 1.381 -13.370 98 HE1 TYR 14 HE2 TYR 14 -13.921 4.791 -14.731 99 HE2 TYR 14 HE1 TYR 14 -11.867 1.100 -15.487 100 HH TYR 14 HH TYR 14 -14.312 3.458 -16.555 101 H GLN 15 H GLN 15 -7.635 2.855 -11.298 102 HA GLN 15 HA GLN 15 -7.131 3.472 -8.486 103 HB2 GLN 15 1HB GLN 15 -5.445 2.012 -10.533 104 HB3 GLN 15 2HB GLN 15 -5.223 2.015 -8.780 105 HG2 GLN 15 1HG GLN 15 -7.693 1.162 -8.742 106 HG3 GLN 15 2HG GLN 15 -7.370 0.710 -10.428 107 HE21 GLN 15 2HE2 GLN 15 -6.272 0.385 -7.104 108 HE22 GLN 15 1HE2 GLN 15 -5.479 -1.136 -7.327 109 H LEU 16 H LEU 16 -5.788 4.355 -11.652 110 HA LEU 16 HA LEU 16 -3.492 5.722 -10.666 111 HB2 LEU 16 1HB LEU 16 -5.044 5.991 -13.240 112 HB3 LEU 16 2HB LEU 16 -3.564 6.880 -12.912 113 HG LEU 16 HG LEU 16 -3.792 3.853 -12.946 114 HD11 LEU 16 1HD1 LEU 16 -4.071 4.781 -15.181 115 HD12 LEU 16 2HD1 LEU 16 -2.497 3.985 -15.029 116 HD13 LEU 16 3HD1 LEU 16 -2.599 5.762 -14.981 117 HD21 LEU 16 3HD2 LEU 16 -1.315 3.900 -12.975 118 HD22 LEU 16 1HD2 LEU 16 -1.980 4.563 -11.475 119 HD23 LEU 16 2HD2 LEU 16 -1.358 5.662 -12.729 120 H GLU 17 H GLU 17 -6.863 6.800 -11.002 121 HA GLU 17 HA GLU 17 -6.333 9.587 -10.673 122 HB2 GLU 17 1HB GLU 17 -8.719 7.881 -9.919 123 HB3 GLU 17 2HB GLU 17 -8.650 9.620 -9.618 124 HG2 GLU 17 1HG GLU 17 -8.032 9.779 -12.142 125 HG3 GLU 17 2HG GLU 17 -8.768 8.173 -12.237 126 HE2 GLU 17 HE2 GLU 17 -10.675 8.283 -10.679 127 H ASN 18 H ASN 18 -5.835 7.047 -8.374 128 HA ASN 18 HA ASN 18 -6.222 8.600 -5.973 129 HB2 ASN 18 1HB ASN 18 -4.447 6.208 -6.582 130 HB3 ASN 18 2HB ASN 18 -4.591 6.937 -4.979 131 HD21 ASN 18 2HD2 ASN 18 -5.315 4.250 -5.987 132 HD22 ASN 18 1HD2 ASN 18 -6.996 4.059 -5.548 133 H TYR 19 H TYR 19 -3.724 8.520 -8.416 134 HA TYR 19 HA TYR 19 -1.657 9.848 -6.799 135 HB2 TYR 19 1HB TYR 19 -2.009 9.197 -9.714 136 HB3 TYR 19 2HB TYR 19 -0.594 10.038 -9.125 137 HD1 TYR 19 HD2 TYR 19 -2.455 6.796 -8.912 138 HD2 TYR 19 HD1 TYR 19 1.221 8.893 -8.154 139 HE1 TYR 19 HE2 TYR 19 -1.308 4.641 -8.488 140 HE2 TYR 19 HE1 TYR 19 2.357 6.731 -7.746 141 HH TYR 19 HH TYR 19 0.646 3.616 -7.939 142 H CYS 20 H CYS 20 -4.532 10.928 -8.232 143 HA CYS 20 HA CYS 20 -3.490 13.153 -9.742 144 HB2 CYS 20 1HB CYS 20 -5.882 11.811 -9.612 145 HB3 CYS 20 2HB CYS 20 -6.282 13.339 -8.828 146 H ASN 21 H ASN 21 -3.398 15.260 -9.331 147 HA ASN 21 HA ASN 21 -3.005 16.119 -6.590 148 HB2 ASN 21 1HB ASN 21 -1.712 17.020 -8.567 149 HB3 ASN 21 2HB ASN 21 -3.202 17.757 -9.161 150 HD21 ASN 21 2HD2 ASN 21 -3.266 19.835 -8.807 151 HD22 ASN 21 1HD2 ASN 21 -2.681 20.629 -7.363 152 HXT ASN 21 H02 ASN 21 -6.542 17.334 -7.596 153 H1 PHE 1 3H0 PHE 1 -7.849 4.027 -22.917 154 H2 PHE 1 2H0 PHE 1 -7.325 2.890 -23.995 155 H3 PHE 1 1H0 PHE 1 -8.493 2.506 -22.898 156 HA PHE 1 HA PHE 1 -5.691 3.170 -22.272 157 HB2 PHE 1 1HB PHE 1 -7.626 3.827 -20.644 158 HB3 PHE 1 2HB PHE 1 -7.768 2.090 -20.347 159 HD1 PHE 1 HD2 PHE 1 -5.557 5.065 -20.037 160 HD2 PHE 1 HD1 PHE 1 -6.106 0.914 -19.008 161 HE1 PHE 1 HE2 PHE 1 -3.686 5.225 -18.405 162 HE2 PHE 1 HE1 PHE 1 -4.231 1.072 -17.373 163 HZ PHE 1 HZ PHE 1 -3.012 3.227 -17.086 164 H VAL 2 H VAL 2 -4.473 1.248 -21.426 165 HA VAL 2 HA VAL 2 -5.726 -1.349 -22.122 166 HB VAL 2 HB VAL 2 -4.403 -0.547 -24.144 167 HG11 VAL 2 1HG1 VAL 2 -1.970 -0.902 -22.349 168 HG12 VAL 2 2HG1 VAL 2 -1.968 -0.524 -24.085 169 HG13 VAL 2 3HG1 VAL 2 -2.602 0.660 -22.924 170 HG21 VAL 2 3HG2 VAL 2 -3.284 -2.666 -24.547 171 HG22 VAL 2 1HG2 VAL 2 -3.248 -3.030 -22.806 172 HG23 VAL 2 2HG2 VAL 2 -4.802 -2.961 -23.676 173 H ASN 3 H ASN 3 -4.949 -3.060 -20.853 174 HA ASN 3 HA ASN 3 -3.775 -2.218 -18.332 175 HB2 ASN 3 1HB ASN 3 -3.733 -4.757 -17.939 176 HB3 ASN 3 2HB ASN 3 -5.326 -3.987 -18.105 177 HD21 ASN 3 2HD2 ASN 3 -3.563 -6.622 -18.984 178 HD22 ASN 3 1HD2 ASN 3 -4.415 -7.057 -20.446 179 H GLN 4 H GLN 4 -1.737 -2.089 -17.808 180 HA GLN 4 HA GLN 4 0.093 -4.225 -18.510 181 HB2 GLN 4 1HB GLN 4 1.854 -2.796 -19.440 182 HB3 GLN 4 2HB GLN 4 0.433 -2.731 -20.486 183 HG2 GLN 4 1HG GLN 4 -0.190 -0.542 -19.447 184 HG3 GLN 4 2HG GLN 4 1.301 -0.605 -18.496 185 HE21 GLN 4 2HE2 GLN 4 0.047 -0.583 -21.820 186 HE22 GLN 4 1HE2 GLN 4 1.433 0.220 -22.517 187 H HIS 5 H HIS 5 1.735 -4.213 -16.893 188 HA HIS 5 HA HIS 5 1.188 -2.641 -14.494 189 HB2 HIS 5 1HB HIS 5 3.644 -4.272 -15.277 190 HB3 HIS 5 2HB HIS 5 3.315 -3.602 -13.674 191 HD1 HIS 5 HD1 HIS 5 0.543 -4.387 -13.017 192 HD2 HIS 5 HD2 HIS 5 3.058 -6.931 -15.076 193 HE1 HIS 5 HE1 HIS 5 -0.380 -6.768 -12.739 194 HE2 HIS 5 HE2 HIS 5 1.192 -8.285 -13.982 195 H LEU 6 H LEU 6 2.433 -0.868 -13.700 196 HA LEU 6 HA LEU 6 4.001 0.549 -15.832 197 HB2 LEU 6 1HB LEU 6 1.784 1.569 -14.045 198 HB3 LEU 6 2HB LEU 6 2.809 2.610 -15.019 199 HG LEU 6 HG LEU 6 1.060 0.478 -16.253 200 HD11 LEU 6 1HD1 LEU 6 -0.592 2.286 -16.646 201 HD12 LEU 6 2HD1 LEU 6 0.369 3.365 -15.609 202 HD13 LEU 6 3HD1 LEU 6 -0.389 1.904 -14.928 203 HD21 LEU 6 3HD2 LEU 6 1.216 1.970 -18.229 204 HD22 LEU 6 1HD2 LEU 6 2.800 1.366 -17.714 205 HD23 LEU 6 2HD2 LEU 6 2.307 3.037 -17.324 206 H CYS 7 H CYS 7 5.968 1.096 -15.128 207 HA CYS 7 HA CYS 7 6.266 2.004 -12.287 208 HB2 CYS 7 1HB CYS 7 8.238 0.392 -13.953 209 HB3 CYS 7 2HB CYS 7 8.562 1.059 -12.351 210 H GLY 8 H GLY 8 7.930 3.609 -11.964 211 HA2 GLY 8 1HA GLY 8 9.197 5.440 -12.559 212 HA3 GLY 8 2HA GLY 8 9.742 4.438 -13.907 213 H SER 9 H SER 9 9.799 5.740 -15.610 214 HA SER 9 HA SER 9 8.104 7.962 -16.047 215 HB2 SER 9 1HB SER 9 8.967 7.762 -18.416 216 HB3 SER 9 2HB SER 9 10.220 7.804 -17.155 217 HG SER 9 HG SER 9 10.602 6.139 -18.671 218 H HIS 10 H HIS 10 7.600 4.526 -16.888 219 HA HIS 10 HA HIS 10 5.511 5.019 -18.819 220 HB2 HIS 10 1HB HIS 10 6.301 2.681 -17.101 221 HB3 HIS 10 2HB HIS 10 4.689 2.698 -17.802 222 HD1 HIS 10 HD1 HIS 10 4.577 1.362 -19.914 223 HD2 HIS 10 HD2 HIS 10 8.248 3.371 -19.464 224 HE1 HIS 10 HE1 HIS 10 5.981 0.828 -21.967 225 HE2 HIS 10 HE2 HIS 10 8.189 2.032 -21.680 226 H LEU 11 H LEU 11 5.541 4.685 -15.263 227 HA LEU 11 HA LEU 11 2.673 4.820 -15.023 228 HB2 LEU 11 1HB LEU 11 4.259 3.906 -13.297 229 HB3 LEU 11 2HB LEU 11 4.804 5.549 -12.980 230 HG LEU 11 HG LEU 11 2.537 6.154 -12.192 231 HD11 LEU 11 1HD1 LEU 11 1.184 4.564 -13.470 232 HD12 LEU 11 2HD1 LEU 11 0.905 4.364 -11.732 233 HD13 LEU 11 3HD1 LEU 11 1.938 3.204 -12.595 234 HD21 LEU 11 3HD2 LEU 11 4.220 5.353 -10.610 235 HD22 LEU 11 1HD2 LEU 11 3.718 3.666 -10.893 236 HD23 LEU 11 2HD2 LEU 11 2.608 4.824 -10.119 237 H VAL 12 H VAL 12 5.311 7.227 -14.812 238 HA VAL 12 HA VAL 12 3.692 9.448 -14.105 239 HB VAL 12 HB VAL 12 6.290 9.302 -15.710 240 HG11 VAL 12 1HG1 VAL 12 4.985 11.723 -14.416 241 HG12 VAL 12 2HG1 VAL 12 6.608 11.680 -15.134 242 HG13 VAL 12 3HG1 VAL 12 5.183 11.445 -16.164 243 HG21 VAL 12 3HG2 VAL 12 5.757 9.947 -12.772 244 HG22 VAL 12 1HG2 VAL 12 6.430 8.425 -13.384 245 HG23 VAL 12 2HG2 VAL 12 7.350 9.929 -13.564 246 H GLU 13 H GLU 13 4.599 8.234 -17.397 247 HA GLU 13 HA GLU 13 3.152 10.373 -18.687 248 HB2 GLU 13 1HB GLU 13 4.070 7.683 -19.742 249 HB3 GLU 13 2HB GLU 13 3.357 8.969 -20.728 250 HG2 GLU 13 1HG GLU 13 5.971 9.090 -19.191 251 HG3 GLU 13 2HG GLU 13 5.763 9.084 -20.946 252 HE2 GLU 13 HE2 GLU 13 4.508 12.371 -20.860 253 H ALA 14 H ALA 14 2.181 7.217 -17.452 254 HA ALA 14 HA ALA 14 -0.346 7.173 -18.866 255 HB1 ALA 14 3HB ALA 14 0.451 5.887 -16.219 256 HB2 ALA 14 1HB ALA 14 -0.974 5.475 -17.198 257 HB3 ALA 14 2HB ALA 14 0.659 5.154 -17.827 258 H LEU 15 H LEU 15 0.816 8.438 -15.740 259 HA LEU 15 HA LEU 15 -1.744 9.239 -14.764 260 HB2 LEU 15 1HB LEU 15 1.083 10.138 -14.171 261 HB3 LEU 15 2HB LEU 15 -0.316 10.813 -13.346 262 HG LEU 15 HG LEU 15 0.361 7.867 -13.312 263 HD11 LEU 15 1HD1 LEU 15 2.120 9.220 -12.197 264 HD12 LEU 15 2HD1 LEU 15 1.214 8.174 -11.083 265 HD13 LEU 15 3HD1 LEU 15 0.863 9.915 -11.144 266 HD21 LEU 15 3HD2 LEU 15 -1.959 8.305 -12.965 267 HD22 LEU 15 1HD2 LEU 15 -1.580 9.587 -11.801 268 HD23 LEU 15 2HD2 LEU 15 -1.215 7.886 -11.421 269 H TYR 16 H TYR 16 0.602 10.895 -16.859 270 HA TYR 16 HA TYR 16 -0.592 13.479 -16.811 271 HB2 TYR 16 1HB TYR 16 1.001 11.917 -18.829 272 HB3 TYR 16 2HB TYR 16 0.154 13.366 -19.367 273 HD1 TYR 16 HD2 TYR 16 0.575 15.572 -18.049 274 HD2 TYR 16 HD1 TYR 16 3.152 12.138 -17.821 275 HE1 TYR 16 HE2 TYR 16 2.438 17.012 -17.218 276 HE2 TYR 16 HE1 TYR 16 5.013 13.587 -17.024 277 HH TYR 16 HH TYR 16 5.667 15.700 -16.460 278 H LEU 17 H LEU 17 -1.439 10.540 -18.669 279 HA LEU 17 HA LEU 17 -3.467 11.882 -20.220 280 HB2 LEU 17 1HB LEU 17 -3.186 8.954 -19.502 281 HB3 LEU 17 2HB LEU 17 -4.240 9.626 -20.732 282 HG LEU 17 HG LEU 17 -1.212 9.789 -20.828 283 HD11 LEU 17 1HD1 LEU 17 -1.331 7.914 -22.414 284 HD12 LEU 17 2HD1 LEU 17 -3.090 7.806 -22.173 285 HD13 LEU 17 3HD1 LEU 17 -1.977 7.444 -20.829 286 HD21 LEU 17 3HD2 LEU 17 -1.586 10.246 -23.235 287 HD22 LEU 17 1HD2 LEU 17 -2.321 11.488 -22.204 288 HD23 LEU 17 2HD2 LEU 17 -3.345 10.242 -22.954 289 H VAL 18 H VAL 18 -3.554 9.903 -17.246 290 HA VAL 18 HA VAL 18 -6.429 9.756 -17.186 291 HB VAL 18 HB VAL 18 -4.344 9.338 -14.988 292 HG11 VAL 18 1HG1 VAL 18 -6.500 9.801 -13.931 293 HG12 VAL 18 2HG1 VAL 18 -7.317 8.646 -15.011 294 HG13 VAL 18 3HG1 VAL 18 -6.144 8.072 -13.800 295 HG21 VAL 18 3HG2 VAL 18 -4.819 6.935 -15.449 296 HG22 VAL 18 1HG2 VAL 18 -5.851 7.420 -16.808 297 HG23 VAL 18 2HG2 VAL 18 -4.111 7.771 -16.834 298 H CYS 19 H CYS 19 -4.053 11.874 -15.548 299 HA CYS 19 HA CYS 19 -6.255 13.282 -14.220 300 HB2 CYS 19 1HB CYS 19 -3.260 13.599 -14.233 301 HB3 CYS 19 2HB CYS 19 -4.336 14.774 -13.450 302 H GLY 20 H GLY 20 -4.406 13.668 -17.204 303 HA2 GLY 20 1HA GLY 20 -4.501 15.364 -18.766 304 HA3 GLY 20 2HA GLY 20 -6.101 15.766 -18.103 305 H GLU 21 H GLU 21 -6.007 17.941 -17.989 306 HA GLU 21 HA GLU 21 -3.702 19.421 -17.183 307 HB2 GLU 21 1HB GLU 21 -5.117 21.340 -17.310 308 HB3 GLU 21 2HB GLU 21 -5.565 20.240 -18.618 309 HG2 GLU 21 1HG GLU 21 -7.506 19.452 -17.235 310 HG3 GLU 21 2HG GLU 21 -7.070 20.646 -16.003 311 HE2 GLU 21 HE2 GLU 21 -9.470 22.376 -17.731 312 H ARG 22 H ARG 22 -5.736 17.585 -15.142 313 HA ARG 22 HA ARG 22 -5.949 19.455 -12.943 314 HB2 ARG 22 1HB ARG 22 -6.067 16.428 -13.019 315 HB3 ARG 22 2HB ARG 22 -6.424 17.409 -11.595 316 HG2 ARG 22 1HG ARG 22 -8.266 18.507 -12.764 317 HG3 ARG 22 2HG ARG 22 -7.928 17.567 -14.231 318 HD2 ARG 22 1HD ARG 22 -8.570 16.312 -11.550 319 HD3 ARG 22 2HD ARG 22 -9.801 16.705 -12.766 320 HE ARG 22 HE ARG 22 -7.827 15.188 -14.073 321 HH11 ARG 22 1HH1 ARG 22 -10.165 14.670 -11.464 322 HH12 ARG 22 2HH1 ARG 22 -10.346 12.971 -11.842 323 HH21 ARG 22 1HH2 ARG 22 -8.164 12.971 -14.491 324 HH22 ARG 22 2HH2 ARG 22 -9.262 12.061 -13.475 325 H GLY 23 H GLY 23 -3.390 17.386 -14.086 326 HA2 GLY 23 1HA GLY 23 -1.185 17.310 -13.317 327 HA3 GLY 23 2HA GLY 23 -1.630 18.359 -11.956 328 H PHE 24 H PHE 24 0.041 16.246 -11.477 329 HA PHE 24 HA PHE 24 -1.522 14.582 -9.649 330 HB2 PHE 24 1HB PHE 24 -0.836 12.464 -10.626 331 HB3 PHE 24 2HB PHE 24 -1.765 13.379 -11.809 332 HD1 PHE 24 HD2 PHE 24 -0.718 14.303 -13.808 333 HD2 PHE 24 HD1 PHE 24 1.536 12.083 -10.911 334 HE1 PHE 24 HE2 PHE 24 1.143 14.083 -15.422 335 HE2 PHE 24 HE1 PHE 24 3.380 11.827 -12.513 336 HZ PHE 24 HZ PHE 24 3.199 12.841 -14.799 337 H PHE 25 H PHE 25 0.149 12.964 -8.625 338 HA PHE 25 HA PHE 25 2.828 14.292 -8.505 339 HB2 PHE 25 1HB PHE 25 2.878 13.762 -6.080 340 HB3 PHE 25 2HB PHE 25 1.634 14.943 -6.503 341 HD1 PHE 25 HD2 PHE 25 2.221 11.409 -5.495 342 HD2 PHE 25 HD1 PHE 25 -0.705 14.493 -6.181 343 HE1 PHE 25 HE2 PHE 25 0.484 9.996 -4.408 344 HE2 PHE 25 HE1 PHE 25 -2.449 13.093 -5.102 345 HZ PHE 25 HZ PHE 25 -1.850 10.836 -4.197 346 H TYR 26 H TYR 26 4.516 12.819 -7.687 347 HA TYR 26 HA TYR 26 3.963 9.927 -8.163 348 HB2 TYR 26 1HB TYR 26 4.687 10.788 -10.330 349 HB3 TYR 26 2HB TYR 26 6.053 11.629 -9.578 350 HD1 TYR 26 HD1 TYR 26 4.609 8.162 -9.945 351 HD2 TYR 26 HD2 TYR 26 8.150 10.567 -9.482 352 HE1 TYR 26 HE1 TYR 26 6.033 6.136 -10.167 353 HE2 TYR 26 HE2 TYR 26 9.559 8.530 -9.746 354 HH TYR 26 HH TYR 26 9.593 6.270 -10.031 355 H THR 27 H THR 27 5.370 8.610 -6.979 356 HA THR 27 HA THR 27 6.999 10.068 -4.954 357 HB THR 27 HB THR 27 6.738 7.998 -3.582 358 HG1 THR 27 HG1 THR 27 6.348 6.664 -5.513 359 HG21 THR 27 1HG2 THR 27 5.096 9.920 -3.432 360 HG22 THR 27 2HG2 THR 27 4.407 8.346 -2.989 361 HG23 THR 27 3HG2 THR 27 4.048 9.050 -4.579 362 HA PRO 28 HA PRO 28 10.122 7.907 -7.455 363 HB2 PRO 28 1HB PRO 28 12.237 9.569 -7.047 364 HB3 PRO 28 2HB PRO 28 10.904 9.999 -8.168 365 HG2 PRO 28 1HG PRO 28 11.297 10.814 -5.296 366 HG3 PRO 28 2HG PRO 28 10.962 11.846 -6.723 367 HD2 PRO 28 1HD PRO 28 8.996 11.034 -5.038 368 HD3 PRO 28 2HD PRO 28 8.718 11.203 -6.806 369 H LYS 29 H LYS 29 11.951 6.609 -6.903 370 HA LYS 29 HA LYS 29 12.240 6.152 -3.982 371 HB2 LYS 29 1HB LYS 29 13.551 4.137 -4.719 372 HB3 LYS 29 2HB LYS 29 11.848 4.128 -5.149 373 HG2 LYS 29 1HG LYS 29 12.236 4.297 -7.426 374 HG3 LYS 29 2HG LYS 29 13.775 5.132 -7.233 375 HD2 LYS 29 1HD LYS 29 13.315 2.181 -6.619 376 HD3 LYS 29 2HD LYS 29 14.015 2.806 -8.116 377 HE2 LYS 29 1HE LYS 29 15.219 3.038 -5.316 378 HE3 LYS 29 2HE LYS 29 15.792 2.000 -6.626 379 HZ1 LYS 29 3HZ LYS 29 15.859 4.969 -6.581 380 HZ2 LYS 29 1HZ LYS 29 16.308 4.048 -7.881 381 HZ3 LYS 29 2HZ LYS 29 17.155 3.953 -6.469 382 H THR 30 H THR 30 13.422 8.046 -3.478 383 HA THR 30 HA THR 30 15.910 8.656 -4.840 384 HB THR 30 HB THR 30 16.208 10.211 -2.808 385 HG1 THR 30 HG1 THR 30 14.289 10.395 -1.541 386 HG21 THR 30 1HG2 THR 30 15.113 10.962 -4.972 387 HG22 THR 30 2HG2 THR 30 14.373 11.732 -3.562 388 HG23 THR 30 3HG2 THR 30 13.545 10.388 -4.366 389 HXT THR 30 H02 THR 30 16.918 6.571 -1.722 Start of MODEL 43 1 H1 GLY 1 3H0 GLY 1 3.653 -0.602 -0.398 2 H2 GLY 1 2H0 GLY 1 2.330 -1.014 -1.294 3 H3 GLY 1 1H0 GLY 1 3.824 -0.986 -1.994 4 HA2 GLY 1 1HA GLY 1 2.387 1.365 -0.927 5 HA3 GLY 1 2HA GLY 1 3.987 1.400 -1.694 6 H ILE 2 H ILE 2 1.751 2.949 -2.688 7 HA ILE 2 HA ILE 2 0.219 1.476 -4.543 8 HB ILE 2 HB ILE 2 -0.347 3.710 -3.551 9 HG12 ILE 2 1HG1 ILE 2 -0.571 3.563 -6.572 10 HG13 ILE 2 2HG1 ILE 2 -1.539 2.611 -5.449 11 HG21 ILE 2 1HG2 ILE 2 1.829 4.866 -3.973 12 HG22 ILE 2 2HG2 ILE 2 1.479 4.861 -5.717 13 HG23 ILE 2 3HG2 ILE 2 0.452 5.781 -4.604 14 HD11 ILE 2 3HD1 ILE 2 -2.455 4.748 -4.478 15 HD12 ILE 2 1HD1 ILE 2 -1.565 5.653 -5.730 16 HD13 ILE 2 2HD1 ILE 2 -2.850 4.517 -6.196 17 H VAL 3 H VAL 3 3.375 3.039 -5.022 18 HA VAL 3 HA VAL 3 3.378 2.776 -7.877 19 HB VAL 3 HB VAL 3 5.742 2.738 -5.942 20 HG11 VAL 3 1HG1 VAL 3 5.594 3.315 -8.939 21 HG12 VAL 3 2HG1 VAL 3 7.032 3.579 -7.925 22 HG13 VAL 3 3HG1 VAL 3 6.399 1.936 -8.173 23 HG21 VAL 3 3HG2 VAL 3 4.335 5.054 -7.345 24 HG22 VAL 3 1HG2 VAL 3 4.397 4.750 -5.592 25 HG23 VAL 3 2HG2 VAL 3 5.879 5.187 -6.467 26 H GLU 4 H GLU 4 4.408 0.659 -5.219 27 HA GLU 4 HA GLU 4 5.526 -1.424 -6.811 28 HB2 GLU 4 1HB GLU 4 5.772 -1.064 -4.325 29 HB3 GLU 4 2HB GLU 4 4.109 -1.612 -4.135 30 HG2 GLU 4 1HG GLU 4 4.755 -3.808 -5.102 31 HG3 GLU 4 2HG GLU 4 6.435 -3.249 -5.143 32 HE2 GLU 4 HE2 GLU 4 6.271 -4.972 -2.136 33 H GLN 5 H GLN 5 2.219 -0.751 -5.625 34 HA GLN 5 HA GLN 5 1.058 -3.201 -6.532 35 HB2 GLN 5 1HB GLN 5 -0.095 -0.449 -5.998 36 HB3 GLN 5 2HB GLN 5 -1.092 -1.838 -6.440 37 HG2 GLN 5 1HG GLN 5 -0.685 -2.953 -4.432 38 HG3 GLN 5 2HG GLN 5 0.811 -2.067 -4.116 39 HE21 GLN 5 2HE2 GLN 5 -2.701 -1.452 -4.494 40 HE22 GLN 5 1HE2 GLN 5 -2.776 -0.269 -3.213 41 H CYS 6 H CYS 6 1.516 -0.020 -8.166 42 HA CYS 6 HA CYS 6 0.142 -1.001 -10.554 43 HB2 CYS 6 1HB CYS 6 1.874 1.460 -10.162 44 HB3 CYS 6 2HB CYS 6 0.836 1.119 -11.553 45 H CYS 7 H CYS 7 3.305 -1.368 -9.295 46 HA CYS 7 HA CYS 7 4.534 -1.762 -11.921 47 HB2 CYS 7 1HB CYS 7 5.415 -1.882 -9.080 48 HB3 CYS 7 2HB CYS 7 6.260 -2.943 -10.218 49 H THR 8 H THR 8 3.391 -3.787 -9.172 50 HA THR 8 HA THR 8 4.020 -6.234 -10.660 51 HB THR 8 HB THR 8 4.294 -5.994 -8.142 52 HG1 THR 8 HG1 THR 8 3.525 -8.136 -7.808 53 HG21 THR 8 1HG2 THR 8 1.306 -6.517 -8.047 54 HG22 THR 8 2HG2 THR 8 2.009 -4.905 -7.791 55 HG23 THR 8 3HG2 THR 8 2.417 -6.238 -6.693 56 H SER 9 H SER 9 1.226 -4.172 -10.256 57 HA SER 9 HA SER 9 -0.267 -6.119 -11.925 58 HB2 SER 9 1HB SER 9 -1.363 -4.708 -9.432 59 HB3 SER 9 2HB SER 9 -2.338 -5.652 -10.579 60 HG SER 9 HG SER 9 -0.159 -7.045 -9.765 61 H ILE 10 H ILE 10 -2.506 -4.830 -12.532 62 HA ILE 10 HA ILE 10 -1.272 -3.100 -14.445 63 HB ILE 10 HB ILE 10 -4.205 -3.771 -13.963 64 HG12 ILE 10 1HG1 ILE 10 -2.772 -5.725 -14.460 65 HG13 ILE 10 2HG1 ILE 10 -3.960 -5.410 -15.719 66 HG21 ILE 10 1HG2 ILE 10 -4.189 -1.739 -15.264 67 HG22 ILE 10 2HG2 ILE 10 -2.886 -2.340 -16.306 68 HG23 ILE 10 3HG2 ILE 10 -4.511 -3.073 -16.384 69 HD11 ILE 10 3HD1 ILE 10 -1.763 -6.071 -16.640 70 HD12 ILE 10 1HD1 ILE 10 -2.232 -4.446 -17.166 71 HD13 ILE 10 2HD1 ILE 10 -1.019 -4.643 -15.893 72 H CYS 11 H CYS 11 -3.566 -2.311 -11.821 73 HA CYS 11 HA CYS 11 -4.419 -0.335 -11.065 74 HB2 CYS 11 1HB CYS 11 -1.847 0.770 -12.202 75 HB3 CYS 11 2HB CYS 11 -3.081 1.801 -11.478 76 H SER 12 H SER 12 -6.305 -0.186 -12.135 77 HA SER 12 HA SER 12 -6.545 0.627 -14.898 78 HB2 SER 12 1HB SER 12 -8.945 0.892 -14.325 79 HB3 SER 12 2HB SER 12 -8.307 -0.656 -13.730 80 HG SER 12 HG SER 12 -9.472 0.295 -12.083 81 H LEU 13 H LEU 13 -7.757 2.721 -15.469 82 HA LEU 13 HA LEU 13 -6.221 4.925 -14.649 83 HB2 LEU 13 1HB LEU 13 -7.757 6.296 -15.856 84 HB3 LEU 13 2HB LEU 13 -7.502 4.801 -16.737 85 HG LEU 13 HG LEU 13 -9.807 4.235 -15.327 86 HD11 LEU 13 1HD1 LEU 13 -11.285 6.193 -15.665 87 HD12 LEU 13 2HD1 LEU 13 -9.885 7.163 -16.170 88 HD13 LEU 13 3HD1 LEU 13 -9.993 6.543 -14.506 89 HD21 LEU 13 3HD2 LEU 13 -10.944 4.564 -17.480 90 HD22 LEU 13 1HD2 LEU 13 -9.373 3.765 -17.697 91 HD23 LEU 13 2HD2 LEU 13 -9.552 5.497 -18.081 92 H TYR 14 H TYR 14 -9.245 3.683 -13.257 93 HA TYR 14 HA TYR 14 -9.814 5.940 -11.618 94 HB2 TYR 14 1HB TYR 14 -10.402 3.046 -10.961 95 HB3 TYR 14 2HB TYR 14 -11.322 4.477 -10.484 96 HD1 TYR 14 HD2 TYR 14 -12.439 5.856 -12.418 97 HD2 TYR 14 HD1 TYR 14 -10.933 1.854 -12.918 98 HE1 TYR 14 HE2 TYR 14 -13.825 5.586 -14.477 99 HE2 TYR 14 HE1 TYR 14 -12.304 1.604 -14.997 100 HH TYR 14 HH TYR 14 -14.446 4.195 -16.185 101 H GLN 15 H GLN 15 -7.779 3.069 -11.122 102 HA GLN 15 HA GLN 15 -7.193 3.602 -8.337 103 HB2 GLN 15 1HB GLN 15 -5.697 2.041 -10.476 104 HB3 GLN 15 2HB GLN 15 -5.254 2.055 -8.770 105 HG2 GLN 15 1HG GLN 15 -8.021 1.202 -9.690 106 HG3 GLN 15 2HG GLN 15 -6.655 0.076 -9.658 107 HE21 GLN 15 2HE2 GLN 15 -9.225 1.219 -7.886 108 HE22 GLN 15 1HE2 GLN 15 -8.667 0.764 -6.295 109 H LEU 16 H LEU 16 -5.752 4.444 -11.467 110 HA LEU 16 HA LEU 16 -3.418 5.702 -10.396 111 HB2 LEU 16 1HB LEU 16 -4.831 5.960 -13.051 112 HB3 LEU 16 2HB LEU 16 -3.307 6.760 -12.684 113 HG LEU 16 HG LEU 16 -3.705 3.753 -12.522 114 HD11 LEU 16 1HD1 LEU 16 -2.557 3.614 -14.653 115 HD12 LEU 16 2HD1 LEU 16 -2.475 5.392 -14.754 116 HD13 LEU 16 3HD1 LEU 16 -4.045 4.555 -14.814 117 HD21 LEU 16 3HD2 LEU 16 -1.205 5.495 -12.533 118 HD22 LEU 16 1HD2 LEU 16 -1.213 3.718 -12.631 119 HD23 LEU 16 2HD2 LEU 16 -1.819 4.524 -11.178 120 H GLU 17 H GLU 17 -6.707 6.955 -10.976 121 HA GLU 17 HA GLU 17 -6.122 9.720 -10.846 122 HB2 GLU 17 1HB GLU 17 -8.499 8.113 -9.876 123 HB3 GLU 17 2HB GLU 17 -8.437 9.872 -9.756 124 HG2 GLU 17 1HG GLU 17 -8.260 10.091 -12.157 125 HG3 GLU 17 2HG GLU 17 -8.140 8.346 -12.347 126 HE2 GLU 17 HE2 GLU 17 -10.121 10.573 -10.776 127 H ASN 18 H ASN 18 -6.135 7.330 -8.232 128 HA ASN 18 HA ASN 18 -6.342 9.124 -6.043 129 HB2 ASN 18 1HB ASN 18 -4.901 6.468 -6.310 130 HB3 ASN 18 2HB ASN 18 -5.055 7.345 -4.783 131 HD21 ASN 18 2HD2 ASN 18 -6.570 5.250 -7.006 132 HD22 ASN 18 1HD2 ASN 18 -8.114 5.146 -6.182 133 H TYR 19 H TYR 19 -3.611 8.506 -8.188 134 HA TYR 19 HA TYR 19 -1.513 9.478 -6.457 135 HB2 TYR 19 1HB TYR 19 -1.882 9.296 -9.442 136 HB3 TYR 19 2HB TYR 19 -0.445 10.029 -8.769 137 HD1 TYR 19 HD2 TYR 19 -2.342 6.801 -8.942 138 HD2 TYR 19 HD1 TYR 19 1.375 8.730 -7.967 139 HE1 TYR 19 HE2 TYR 19 -1.226 4.582 -8.827 140 HE2 TYR 19 HE1 TYR 19 2.485 6.503 -7.853 141 HH TYR 19 HH TYR 19 0.745 3.457 -8.465 142 H CYS 20 H CYS 20 -4.057 11.057 -8.294 143 HA CYS 20 HA CYS 20 -2.949 13.700 -7.457 144 HB2 CYS 20 1HB CYS 20 -3.958 14.636 -9.505 145 HB3 CYS 20 2HB CYS 20 -2.641 13.524 -9.843 146 H ASN 21 H ASN 21 -4.643 11.921 -6.042 147 HA ASN 21 HA ASN 21 -6.568 11.747 -4.887 148 HB2 ASN 21 1HB ASN 21 -6.250 13.982 -4.090 149 HB3 ASN 21 2HB ASN 21 -6.827 14.684 -5.594 150 HD21 ASN 21 2HD2 ASN 21 -7.763 12.945 -2.672 151 HD22 ASN 21 1HD2 ASN 21 -9.459 13.325 -2.794 152 HXT ASN 21 H02 ASN 21 -7.328 13.422 -7.663 153 H1 PHE 1 3H0 PHE 1 -8.805 2.847 -21.897 154 H2 PHE 1 2H0 PHE 1 -8.392 4.443 -21.946 155 H3 PHE 1 1H0 PHE 1 -7.943 3.435 -23.171 156 HA PHE 1 HA PHE 1 -6.051 3.888 -21.783 157 HB2 PHE 1 1HB PHE 1 -7.569 4.294 -19.773 158 HB3 PHE 1 2HB PHE 1 -7.667 2.539 -19.588 159 HD1 PHE 1 HD2 PHE 1 -5.385 5.481 -19.481 160 HD2 PHE 1 HD1 PHE 1 -5.842 1.282 -18.618 161 HE1 PHE 1 HE2 PHE 1 -3.264 5.520 -18.187 162 HE2 PHE 1 HE1 PHE 1 -3.732 1.328 -17.294 163 HZ PHE 1 HZ PHE 1 -2.437 3.443 -17.092 164 H VAL 2 H VAL 2 -4.409 2.251 -21.681 165 HA VAL 2 HA VAL 2 -5.408 -0.434 -22.557 166 HB VAL 2 HB VAL 2 -2.684 0.891 -23.029 167 HG11 VAL 2 1HG1 VAL 2 -3.835 -1.753 -24.046 168 HG12 VAL 2 2HG1 VAL 2 -2.309 -1.025 -24.595 169 HG13 VAL 2 3HG1 VAL 2 -2.475 -1.558 -22.912 170 HG21 VAL 2 3HG2 VAL 2 -3.413 0.962 -25.427 171 HG22 VAL 2 1HG2 VAL 2 -5.033 0.424 -24.926 172 HG23 VAL 2 2HG2 VAL 2 -4.400 1.997 -24.380 173 H ASN 3 H ASN 3 -4.993 -2.158 -21.269 174 HA ASN 3 HA ASN 3 -3.800 -1.745 -18.679 175 HB2 ASN 3 1HB ASN 3 -3.756 -4.318 -18.669 176 HB3 ASN 3 2HB ASN 3 -5.348 -3.520 -18.713 177 HD21 ASN 3 2HD2 ASN 3 -3.607 -6.005 -19.988 178 HD22 ASN 3 1HD2 ASN 3 -4.461 -6.204 -21.495 179 H GLN 4 H GLN 4 -1.784 -1.698 -18.112 180 HA GLN 4 HA GLN 4 0.101 -3.660 -19.124 181 HB2 GLN 4 1HB GLN 4 1.794 -1.986 -19.822 182 HB3 GLN 4 2HB GLN 4 0.369 -1.914 -20.863 183 HG2 GLN 4 1HG GLN 4 -0.447 0.035 -19.461 184 HG3 GLN 4 2HG GLN 4 1.128 0.019 -18.657 185 HE21 GLN 4 2HE2 GLN 4 -0.542 0.459 -21.724 186 HE22 GLN 4 1HE2 GLN 4 0.710 1.423 -22.472 187 H HIS 5 H HIS 5 1.737 -3.854 -17.525 188 HA HIS 5 HA HIS 5 1.215 -2.594 -14.942 189 HB2 HIS 5 1HB HIS 5 3.641 -4.126 -15.964 190 HB3 HIS 5 2HB HIS 5 3.365 -3.633 -14.291 191 HD1 HIS 5 HD1 HIS 5 0.592 -4.451 -13.654 192 HD2 HIS 5 HD2 HIS 5 3.030 -6.784 -16.030 193 HE1 HIS 5 HE1 HIS 5 -0.357 -6.842 -13.620 194 HE2 HIS 5 HE2 HIS 5 1.175 -8.231 -15.046 195 H LEU 6 H LEU 6 2.464 -0.947 -13.940 196 HA LEU 6 HA LEU 6 3.886 0.796 -15.928 197 HB2 LEU 6 1HB LEU 6 1.848 1.480 -13.798 198 HB3 LEU 6 2HB LEU 6 2.756 2.670 -14.714 199 HG LEU 6 HG LEU 6 0.915 0.671 -16.033 200 HD11 LEU 6 1HD1 LEU 6 -0.372 1.952 -14.424 201 HD12 LEU 6 2HD1 LEU 6 -0.756 2.468 -16.073 202 HD13 LEU 6 3HD1 LEU 6 0.304 3.475 -15.057 203 HD21 LEU 6 3HD2 LEU 6 2.101 3.322 -16.933 204 HD22 LEU 6 1HD2 LEU 6 0.906 2.379 -17.845 205 HD23 LEU 6 2HD2 LEU 6 2.518 1.704 -17.552 206 H CYS 7 H CYS 7 5.945 1.011 -15.336 207 HA CYS 7 HA CYS 7 6.492 1.783 -12.499 208 HB2 CYS 7 1HB CYS 7 8.245 0.098 -14.328 209 HB3 CYS 7 2HB CYS 7 8.695 0.674 -12.722 210 H GLY 8 H GLY 8 8.310 3.250 -12.268 211 HA2 GLY 8 1HA GLY 8 9.611 5.044 -12.900 212 HA3 GLY 8 2HA GLY 8 9.971 4.086 -14.341 213 H SER 9 H SER 9 9.974 5.523 -15.943 214 HA SER 9 HA SER 9 8.369 7.813 -16.121 215 HB2 SER 9 1HB SER 9 9.177 6.476 -18.649 216 HB3 SER 9 2HB SER 9 9.476 8.138 -18.082 217 HG SER 9 HG SER 9 11.423 7.105 -17.963 218 H HIS 10 H HIS 10 7.586 4.475 -17.090 219 HA HIS 10 HA HIS 10 5.405 5.180 -18.836 220 HB2 HIS 10 1HB HIS 10 6.320 2.725 -17.417 221 HB3 HIS 10 2HB HIS 10 4.599 2.798 -17.794 222 HD1 HIS 10 HD1 HIS 10 3.910 2.040 -20.103 223 HD2 HIS 10 HD2 HIS 10 7.973 3.108 -19.882 224 HE1 HIS 10 HE1 HIS 10 4.946 1.502 -22.355 225 HE2 HIS 10 HE2 HIS 10 7.392 2.146 -22.214 226 H LEU 11 H LEU 11 5.664 4.757 -15.310 227 HA LEU 11 HA LEU 11 2.834 4.768 -14.851 228 HB2 LEU 11 1HB LEU 11 4.514 3.921 -13.252 229 HB3 LEU 11 2HB LEU 11 5.129 5.551 -13.029 230 HG LEU 11 HG LEU 11 3.063 6.244 -11.942 231 HD11 LEU 11 1HD1 LEU 11 2.137 3.371 -12.333 232 HD12 LEU 11 2HD1 LEU 11 1.414 4.822 -13.073 233 HD13 LEU 11 3HD1 LEU 11 1.336 4.591 -11.319 234 HD21 LEU 11 3HD2 LEU 11 4.150 3.616 -10.854 235 HD22 LEU 11 1HD2 LEU 11 3.330 4.892 -9.919 236 HD23 LEU 11 2HD2 LEU 11 4.911 5.219 -10.661 237 H VAL 12 H VAL 12 5.285 7.425 -14.770 238 HA VAL 12 HA VAL 12 3.227 9.318 -14.025 239 HB VAL 12 HB VAL 12 4.907 11.077 -14.405 240 HG11 VAL 12 1HG1 VAL 12 6.463 10.394 -12.652 241 HG12 VAL 12 2HG1 VAL 12 4.839 9.792 -12.268 242 HG13 VAL 12 3HG1 VAL 12 6.067 8.680 -12.915 243 HG21 VAL 12 3HG2 VAL 12 7.203 10.522 -15.061 244 HG22 VAL 12 1HG2 VAL 12 6.728 8.838 -15.345 245 HG23 VAL 12 2HG2 VAL 12 6.068 10.135 -16.367 246 H GLU 13 H GLU 13 4.469 8.161 -17.143 247 HA GLU 13 HA GLU 13 3.157 10.253 -18.659 248 HB2 GLU 13 1HB GLU 13 4.148 7.491 -19.384 249 HB3 GLU 13 2HB GLU 13 3.322 8.544 -20.540 250 HG2 GLU 13 1HG GLU 13 5.892 9.210 -19.065 251 HG3 GLU 13 2HG GLU 13 5.756 8.749 -20.767 252 HE2 GLU 13 HE2 GLU 13 5.494 12.426 -19.802 253 H ALA 14 H ALA 14 2.129 7.124 -17.326 254 HA ALA 14 HA ALA 14 -0.423 7.122 -18.661 255 HB1 ALA 14 3HB ALA 14 0.379 5.933 -15.974 256 HB2 ALA 14 1HB ALA 14 -1.079 5.532 -16.903 257 HB3 ALA 14 2HB ALA 14 0.525 5.123 -17.551 258 H LEU 15 H LEU 15 0.807 8.497 -15.586 259 HA LEU 15 HA LEU 15 -1.722 9.422 -14.657 260 HB2 LEU 15 1HB LEU 15 1.107 10.342 -14.114 261 HB3 LEU 15 2HB LEU 15 -0.294 11.062 -13.335 262 HG LEU 15 HG LEU 15 0.425 8.131 -13.109 263 HD11 LEU 15 1HD1 LEU 15 2.126 9.598 -12.054 264 HD12 LEU 15 2HD1 LEU 15 1.223 8.621 -10.882 265 HD13 LEU 15 3HD1 LEU 15 0.838 10.346 -11.084 266 HD21 LEU 15 3HD2 LEU 15 -1.563 9.864 -11.648 267 HD22 LEU 15 1HD2 LEU 15 -1.189 8.164 -11.280 268 HD23 LEU 15 2HD2 LEU 15 -1.945 8.581 -12.817 269 H TYR 16 H TYR 16 0.614 10.925 -16.892 270 HA TYR 16 HA TYR 16 -0.591 13.516 -16.970 271 HB2 TYR 16 1HB TYR 16 0.969 11.862 -18.958 272 HB3 TYR 16 2HB TYR 16 0.143 13.317 -19.508 273 HD1 TYR 16 HD1 TYR 16 0.655 15.547 -18.298 274 HD2 TYR 16 HD2 TYR 16 3.133 12.051 -17.941 275 HE1 TYR 16 HE1 TYR 16 2.564 16.962 -17.527 276 HE2 TYR 16 HE2 TYR 16 5.030 13.470 -17.176 277 HH TYR 16 HH TYR 16 4.737 17.002 -16.811 278 H LEU 17 H LEU 17 -1.344 10.498 -18.744 279 HA LEU 17 HA LEU 17 -3.469 11.722 -20.268 280 HB2 LEU 17 1HB LEU 17 -2.949 8.815 -19.586 281 HB3 LEU 17 2HB LEU 17 -4.104 9.396 -20.777 282 HG LEU 17 HG LEU 17 -1.103 9.832 -20.955 283 HD11 LEU 17 1HD1 LEU 17 -1.132 8.036 -22.636 284 HD12 LEU 17 2HD1 LEU 17 -2.866 7.768 -22.333 285 HD13 LEU 17 3HD1 LEU 17 -1.669 7.441 -21.054 286 HD21 LEU 17 3HD2 LEU 17 -1.596 10.347 -23.337 287 HD22 LEU 17 1HD2 LEU 17 -2.366 11.497 -22.231 288 HD23 LEU 17 2HD2 LEU 17 -3.337 10.216 -22.993 289 H VAL 18 H VAL 18 -3.404 9.790 -17.267 290 HA VAL 18 HA VAL 18 -6.270 9.483 -17.168 291 HB VAL 18 HB VAL 18 -4.103 9.174 -15.040 292 HG11 VAL 18 1HG1 VAL 18 -5.827 7.900 -13.749 293 HG12 VAL 18 2HG1 VAL 18 -6.178 9.628 -13.863 294 HG13 VAL 18 3HG1 VAL 18 -7.065 8.475 -14.889 295 HG21 VAL 18 3HG2 VAL 18 -4.025 7.588 -16.931 296 HG22 VAL 18 1HG2 VAL 18 -4.462 6.783 -15.420 297 HG23 VAL 18 2HG2 VAL 18 -5.711 7.143 -16.632 298 H CYS 19 H CYS 19 -4.013 11.690 -15.436 299 HA CYS 19 HA CYS 19 -6.354 12.946 -14.165 300 HB2 CYS 19 1HB CYS 19 -3.776 12.628 -13.337 301 HB3 CYS 19 2HB CYS 19 -3.747 14.306 -13.916 302 H GLY 20 H GLY 20 -4.585 13.270 -17.099 303 HA2 GLY 20 1HA GLY 20 -5.037 14.638 -18.870 304 HA3 GLY 20 2HA GLY 20 -6.463 15.202 -18.002 305 H GLU 21 H GLU 21 -6.326 17.259 -18.672 306 HA GLU 21 HA GLU 21 -3.961 18.836 -18.728 307 HB2 GLU 21 1HB GLU 21 -6.844 19.776 -18.468 308 HB3 GLU 21 2HB GLU 21 -5.473 20.724 -19.042 309 HG2 GLU 21 1HG GLU 21 -6.347 20.164 -21.067 310 HG3 GLU 21 2HG GLU 21 -5.312 18.745 -20.847 311 HE2 GLU 21 HE2 GLU 21 -7.497 19.000 -22.350 312 H ARG 22 H ARG 22 -5.899 17.936 -16.015 313 HA ARG 22 HA ARG 22 -5.473 20.264 -14.372 314 HB2 ARG 22 1HB ARG 22 -6.155 17.352 -13.853 315 HB3 ARG 22 2HB ARG 22 -5.872 18.478 -12.532 316 HG2 ARG 22 1HG ARG 22 -8.222 18.336 -12.847 317 HG3 ARG 22 2HG ARG 22 -7.698 19.927 -13.391 318 HD2 ARG 22 1HD ARG 22 -9.434 18.962 -14.848 319 HD3 ARG 22 2HD ARG 22 -7.928 19.272 -15.720 320 HE ARG 22 HE ARG 22 -7.773 16.603 -14.881 321 HH11 ARG 22 1HH1 ARG 22 -9.921 18.474 -16.981 322 HH12 ARG 22 2HH1 ARG 22 -10.273 17.099 -17.991 323 HH21 ARG 22 1HH2 ARG 22 -8.284 14.911 -16.192 324 HH22 ARG 22 2HH2 ARG 22 -9.385 15.107 -17.534 325 H GLY 23 H GLY 23 -3.470 17.577 -15.344 326 HA2 GLY 23 1HA GLY 23 -1.206 17.256 -14.882 327 HA3 GLY 23 2HA GLY 23 -1.247 18.635 -13.757 328 H PHE 24 H PHE 24 0.123 16.820 -12.619 329 HA PHE 24 HA PHE 24 -1.557 15.675 -10.526 330 HB2 PHE 24 1HB PHE 24 -0.822 13.376 -10.835 331 HB3 PHE 24 2HB PHE 24 -1.662 13.904 -12.297 332 HD1 PHE 24 HD1 PHE 24 -0.339 14.482 -14.341 333 HD2 PHE 24 HD2 PHE 24 1.452 12.720 -10.865 334 HE1 PHE 24 HE1 PHE 24 1.649 13.869 -15.669 335 HE2 PHE 24 HE2 PHE 24 3.435 12.077 -12.195 336 HZ PHE 24 HZ PHE 24 3.549 12.674 -14.622 337 H PHE 25 H PHE 25 0.124 14.460 -8.994 338 HA PHE 25 HA PHE 25 2.784 15.780 -9.256 339 HB2 PHE 25 1HB PHE 25 2.878 16.104 -6.856 340 HB3 PHE 25 2HB PHE 25 1.458 16.937 -7.498 341 HD1 PHE 25 HD1 PHE 25 2.658 14.124 -5.430 342 HD2 PHE 25 HD2 PHE 25 -0.814 16.161 -6.955 343 HE1 PHE 25 HE1 PHE 25 1.237 12.913 -3.788 344 HE2 PHE 25 HE2 PHE 25 -2.246 14.951 -5.312 345 HZ PHE 25 HZ PHE 25 -1.218 13.322 -3.725 346 H TYR 26 H TYR 26 4.484 14.535 -8.166 347 HA TYR 26 HA TYR 26 3.823 11.734 -7.524 348 HB2 TYR 26 1HB TYR 26 4.208 11.885 -10.033 349 HB3 TYR 26 2HB TYR 26 5.846 12.449 -9.688 350 HD1 TYR 26 HD2 TYR 26 3.481 9.578 -9.252 351 HD2 TYR 26 HD1 TYR 26 7.585 10.865 -9.157 352 HE1 TYR 26 HE2 TYR 26 4.228 7.206 -9.077 353 HE2 TYR 26 HE1 TYR 26 8.324 8.486 -8.978 354 HH TYR 26 HH TYR 26 6.002 5.778 -8.904 355 H THR 27 H THR 27 5.435 10.884 -6.156 356 HA THR 27 HA THR 27 7.499 12.865 -5.291 357 HB THR 27 HB THR 27 6.103 12.840 -3.453 358 HG1 THR 27 HG1 THR 27 7.825 10.597 -3.099 359 HG21 THR 27 1HG2 THR 27 5.555 9.934 -4.109 360 HG22 THR 27 2HG2 THR 27 4.419 11.307 -4.142 361 HG23 THR 27 3HG2 THR 27 5.039 10.706 -2.593 362 HA PRO 28 HA PRO 28 9.677 9.089 -6.678 363 HB2 PRO 28 1HB PRO 28 11.742 10.295 -7.971 364 HB3 PRO 28 2HB PRO 28 10.119 10.168 -8.722 365 HG2 PRO 28 1HG PRO 28 11.353 12.486 -7.251 366 HG3 PRO 28 2HG PRO 28 10.511 12.473 -8.833 367 HD2 PRO 28 1HD PRO 28 9.274 13.168 -6.487 368 HD3 PRO 28 2HD PRO 28 8.399 12.362 -7.831 369 H LYS 29 H LYS 29 11.759 8.227 -5.966 370 HA LYS 29 HA LYS 29 13.101 9.908 -3.894 371 HB2 LYS 29 1HB LYS 29 13.656 7.859 -2.661 372 HB3 LYS 29 2HB LYS 29 11.918 8.150 -2.736 373 HG2 LYS 29 1HG LYS 29 11.679 6.406 -4.472 374 HG3 LYS 29 2HG LYS 29 13.427 6.131 -4.424 375 HD2 LYS 29 1HD LYS 29 13.201 5.612 -1.963 376 HD3 LYS 29 2HD LYS 29 11.440 5.642 -2.195 377 HE2 LYS 29 1HE LYS 29 12.199 3.343 -2.350 378 HE3 LYS 29 2HE LYS 29 11.705 3.877 -3.972 379 HZ1 LYS 29 3HZ LYS 29 14.504 3.750 -2.973 380 HZ2 LYS 29 1HZ LYS 29 14.063 4.276 -4.471 381 HZ3 LYS 29 2HZ LYS 29 13.822 2.700 -4.045 382 H THR 30 H THR 30 14.897 10.615 -4.741 383 HA THR 30 HA THR 30 16.226 9.128 -6.910 384 HB THR 30 HB THR 30 17.764 11.174 -6.883 385 HG1 THR 30 HG1 THR 30 16.871 12.927 -5.589 386 HG21 THR 30 1HG2 THR 30 14.750 11.827 -7.059 387 HG22 THR 30 2HG2 THR 30 15.684 11.063 -8.362 388 HG23 THR 30 3HG2 THR 30 16.071 12.707 -7.841 389 HXT THR 30 H02 THR 30 17.357 10.576 -4.160 Start of MODEL 44 1 H1 GLY 1 3H0 GLY 1 2.918 1.590 0.477 2 H2 GLY 1 2H0 GLY 1 3.916 0.505 -0.260 3 H3 GLY 1 1H0 GLY 1 4.520 1.546 0.870 4 HA2 GLY 1 1HA GLY 1 4.058 3.433 -0.537 5 HA3 GLY 1 2HA GLY 1 5.151 2.272 -1.317 6 H ILE 2 H ILE 2 3.186 4.287 -2.481 7 HA ILE 2 HA ILE 2 1.021 2.621 -3.450 8 HB ILE 2 HB ILE 2 0.915 5.091 -2.799 9 HG12 ILE 2 1HG1 ILE 2 -0.222 4.269 -5.468 10 HG13 ILE 2 2HG1 ILE 2 -0.870 3.789 -3.909 11 HG21 ILE 2 1HG2 ILE 2 1.466 6.793 -4.452 12 HG22 ILE 2 2HG2 ILE 2 2.922 5.828 -4.165 13 HG23 ILE 2 3HG2 ILE 2 1.955 5.569 -5.639 14 HD11 ILE 2 3HD1 ILE 2 -2.220 5.605 -4.784 15 HD12 ILE 2 1HD1 ILE 2 -1.302 6.222 -3.392 16 HD13 ILE 2 2HD1 ILE 2 -0.790 6.619 -5.052 17 H VAL 3 H VAL 3 4.134 3.589 -4.789 18 HA VAL 3 HA VAL 3 3.504 3.431 -7.528 19 HB VAL 3 HB VAL 3 6.142 2.722 -6.135 20 HG11 VAL 3 1HG1 VAL 3 5.575 3.469 -9.040 21 HG12 VAL 3 2HG1 VAL 3 7.194 3.367 -8.325 22 HG13 VAL 3 3HG1 VAL 3 6.186 1.911 -8.450 23 HG21 VAL 3 3HG2 VAL 3 5.459 4.972 -5.525 24 HG22 VAL 3 1HG2 VAL 3 6.752 5.096 -6.723 25 HG23 VAL 3 2HG2 VAL 3 5.067 5.362 -7.213 26 H GLU 4 H GLU 4 4.556 0.862 -5.305 27 HA GLU 4 HA GLU 4 4.979 -1.113 -7.285 28 HB2 GLU 4 1HB GLU 4 4.649 -2.750 -5.368 29 HB3 GLU 4 2HB GLU 4 5.962 -1.582 -5.238 30 HG2 GLU 4 1HG GLU 4 3.373 -0.809 -3.978 31 HG3 GLU 4 2HG GLU 4 4.273 -2.133 -3.234 32 HE2 GLU 4 HE2 GLU 4 6.579 -0.208 -1.854 33 H GLN 5 H GLN 5 1.987 -0.007 -5.793 34 HA GLN 5 HA GLN 5 0.421 -2.327 -6.400 35 HB2 GLN 5 1HB GLN 5 -0.365 0.593 -6.116 36 HB3 GLN 5 2HB GLN 5 -1.499 -0.758 -6.168 37 HG2 GLN 5 1HG GLN 5 -0.545 -1.683 -4.110 38 HG3 GLN 5 2HG GLN 5 0.674 -0.400 -4.069 39 HE21 GLN 5 2HE2 GLN 5 -2.854 -0.928 -4.038 40 HE22 GLN 5 1HE2 GLN 5 -3.198 0.451 -3.022 41 H CYS 6 H CYS 6 1.576 0.347 -8.392 42 HA CYS 6 HA CYS 6 -0.229 -0.541 -10.616 43 HB2 CYS 6 1HB CYS 6 1.424 1.889 -10.056 44 HB3 CYS 6 2HB CYS 6 1.235 1.396 -11.738 45 H CYS 7 H CYS 7 2.877 -1.109 -9.366 46 HA CYS 7 HA CYS 7 4.096 -1.585 -11.997 47 HB2 CYS 7 1HB CYS 7 5.418 -0.477 -10.297 48 HB3 CYS 7 2HB CYS 7 5.146 -1.805 -9.168 49 H THR 8 H THR 8 3.359 -3.506 -9.017 50 HA THR 8 HA THR 8 4.434 -5.904 -10.212 51 HB THR 8 HB THR 8 4.316 -5.389 -7.714 52 HG1 THR 8 HG1 THR 8 3.365 -7.848 -8.785 53 HG21 THR 8 1HG2 THR 8 2.338 -5.973 -6.490 54 HG22 THR 8 2HG2 THR 8 1.502 -6.515 -7.956 55 HG23 THR 8 3HG2 THR 8 1.847 -4.786 -7.717 56 H SER 9 H SER 9 1.354 -4.357 -10.421 57 HA SER 9 HA SER 9 0.405 -6.607 -12.060 58 HB2 SER 9 1HB SER 9 -1.794 -6.656 -10.798 59 HB3 SER 9 2HB SER 9 -0.428 -7.183 -9.794 60 HG SER 9 HG SER 9 -1.844 -4.735 -9.712 61 H ILE 10 H ILE 10 -2.098 -5.792 -12.676 62 HA ILE 10 HA ILE 10 -1.463 -3.296 -14.120 63 HB ILE 10 HB ILE 10 -3.958 -5.065 -14.252 64 HG12 ILE 10 1HG1 ILE 10 -1.933 -6.325 -14.915 65 HG13 ILE 10 2HG1 ILE 10 -3.093 -6.115 -16.219 66 HG21 ILE 10 1HG2 ILE 10 -2.965 -2.839 -16.096 67 HG22 ILE 10 2HG2 ILE 10 -4.327 -3.931 -16.466 68 HG23 ILE 10 3HG2 ILE 10 -4.431 -2.823 -15.089 69 HD11 ILE 10 3HD1 ILE 10 -0.624 -4.381 -15.911 70 HD12 ILE 10 1HD1 ILE 10 -0.699 -5.851 -16.905 71 HD13 ILE 10 2HD1 ILE 10 -1.728 -4.462 -17.299 72 H CYS 11 H CYS 11 -2.339 -1.331 -13.603 73 HA CYS 11 HA CYS 11 -4.579 -1.320 -11.624 74 HB2 CYS 11 1HB CYS 11 -3.768 0.881 -10.889 75 HB3 CYS 11 2HB CYS 11 -2.558 -0.377 -10.614 76 H SER 12 H SER 12 -6.289 0.087 -12.150 77 HA SER 12 HA SER 12 -6.446 0.667 -15.050 78 HB2 SER 12 1HB SER 12 -8.843 0.843 -14.657 79 HB3 SER 12 2HB SER 12 -8.243 -0.647 -13.897 80 HG SER 12 HG SER 12 -9.423 0.281 -12.328 81 H LEU 13 H LEU 13 -7.755 2.721 -15.580 82 HA LEU 13 HA LEU 13 -6.336 4.994 -14.653 83 HB2 LEU 13 1HB LEU 13 -7.854 6.290 -15.954 84 HB3 LEU 13 2HB LEU 13 -7.490 4.810 -16.824 85 HG LEU 13 HG LEU 13 -9.820 4.082 -15.605 86 HD11 LEU 13 1HD1 LEU 13 -10.048 7.067 -16.206 87 HD12 LEU 13 2HD1 LEU 13 -10.184 6.306 -14.603 88 HD13 LEU 13 3HD1 LEU 13 -11.403 5.975 -15.846 89 HD21 LEU 13 3HD2 LEU 13 -9.520 5.591 -18.228 90 HD22 LEU 13 1HD2 LEU 13 -10.885 4.542 -17.775 91 HD23 LEU 13 2HD2 LEU 13 -9.266 3.844 -17.982 92 H TYR 14 H TYR 14 -9.234 3.418 -13.410 93 HA TYR 14 HA TYR 14 -10.186 5.641 -11.874 94 HB2 TYR 14 1HB TYR 14 -10.510 2.695 -11.233 95 HB3 TYR 14 2HB TYR 14 -11.584 4.023 -10.773 96 HD1 TYR 14 HD1 TYR 14 -12.593 5.396 -12.862 97 HD2 TYR 14 HD2 TYR 14 -11.071 1.379 -13.076 98 HE1 TYR 14 HE1 TYR 14 -13.886 5.009 -14.964 99 HE2 TYR 14 HE2 TYR 14 -12.360 1.005 -15.182 100 HH TYR 14 HH TYR 14 -13.844 1.891 -16.689 101 H GLN 15 H GLN 15 -7.957 2.938 -11.207 102 HA GLN 15 HA GLN 15 -7.551 3.642 -8.440 103 HB2 GLN 15 1HB GLN 15 -5.636 2.153 -10.274 104 HB3 GLN 15 2HB GLN 15 -5.680 2.109 -8.510 105 HG2 GLN 15 1HG GLN 15 -7.661 0.924 -10.462 106 HG3 GLN 15 2HG GLN 15 -6.641 0.073 -9.305 107 HE21 GLN 15 2HE2 GLN 15 -7.077 0.787 -6.925 108 HE22 GLN 15 1HE2 GLN 15 -8.767 0.938 -6.508 109 H LEU 16 H LEU 16 -5.965 4.385 -11.515 110 HA LEU 16 HA LEU 16 -3.703 5.716 -10.471 111 HB2 LEU 16 1HB LEU 16 -5.132 5.772 -13.094 112 HB3 LEU 16 2HB LEU 16 -3.829 6.922 -12.789 113 HG LEU 16 HG LEU 16 -3.476 3.939 -12.395 114 HD11 LEU 16 1HD1 LEU 16 -2.435 3.841 -14.590 115 HD12 LEU 16 2HD1 LEU 16 -2.825 5.553 -14.879 116 HD13 LEU 16 3HD1 LEU 16 -4.128 4.347 -14.730 117 HD21 LEU 16 3HD2 LEU 16 -1.521 6.238 -12.824 118 HD22 LEU 16 1HD2 LEU 16 -1.083 4.521 -12.681 119 HD23 LEU 16 2HD2 LEU 16 -1.801 5.364 -11.301 120 H GLU 17 H GLU 17 -6.985 7.042 -11.034 121 HA GLU 17 HA GLU 17 -6.241 9.781 -10.831 122 HB2 GLU 17 1HB GLU 17 -8.766 8.296 -10.068 123 HB3 GLU 17 2HB GLU 17 -8.574 10.026 -9.758 124 HG2 GLU 17 1HG GLU 17 -7.959 10.231 -12.243 125 HG3 GLU 17 2HG GLU 17 -8.666 8.616 -12.415 126 HE2 GLU 17 HE2 GLU 17 -10.644 8.597 -11.021 127 H ASN 18 H ASN 18 -6.452 7.339 -8.288 128 HA ASN 18 HA ASN 18 -6.564 9.158 -6.069 129 HB2 ASN 18 1HB ASN 18 -5.454 6.336 -6.257 130 HB3 ASN 18 2HB ASN 18 -5.686 7.232 -4.750 131 HD21 ASN 18 2HD2 ASN 18 -7.135 5.281 -7.134 132 HD22 ASN 18 1HD2 ASN 18 -8.769 5.340 -6.507 133 H TYR 19 H TYR 19 -3.965 8.197 -8.189 134 HA TYR 19 HA TYR 19 -1.784 8.699 -6.339 135 HB2 TYR 19 1HB TYR 19 -1.958 8.470 -9.343 136 HB3 TYR 19 2HB TYR 19 -0.450 8.775 -8.504 137 HD1 TYR 19 HD2 TYR 19 -3.312 6.299 -8.290 138 HD2 TYR 19 HD1 TYR 19 0.934 6.967 -8.163 139 HE1 TYR 19 HE2 TYR 19 -2.942 3.879 -7.989 140 HE2 TYR 19 HE1 TYR 19 1.294 4.528 -7.877 141 HH TYR 19 HH TYR 19 0.262 2.507 -7.357 142 H CYS 20 H CYS 20 -3.926 10.800 -8.062 143 HA CYS 20 HA CYS 20 -1.939 12.993 -7.903 144 HB2 CYS 20 1HB CYS 20 -2.748 13.802 -10.038 145 HB3 CYS 20 2HB CYS 20 -2.028 12.210 -10.191 146 H ASN 21 H ASN 21 -2.983 15.159 -8.201 147 HA ASN 21 HA ASN 21 -5.045 15.526 -6.239 148 HB2 ASN 21 1HB ASN 21 -4.856 17.933 -7.022 149 HB3 ASN 21 2HB ASN 21 -3.326 17.230 -6.511 150 HD21 ASN 21 2HD2 ASN 21 -5.072 18.702 -9.083 151 HD22 ASN 21 1HD2 ASN 21 -3.837 18.550 -10.306 152 HXT ASN 21 H02 ASN 21 -7.057 14.975 -9.286 153 H1 PHE 1 3H0 PHE 1 -7.894 4.843 -22.357 154 H2 PHE 1 2H0 PHE 1 -7.335 3.881 -23.577 155 H3 PHE 1 1H0 PHE 1 -8.389 3.272 -22.464 156 HA PHE 1 HA PHE 1 -5.626 4.148 -21.929 157 HB2 PHE 1 1HB PHE 1 -7.364 4.527 -20.104 158 HB3 PHE 1 2HB PHE 1 -7.584 2.774 -20.051 159 HD1 PHE 1 HD1 PHE 1 -5.114 5.529 -19.530 160 HD2 PHE 1 HD2 PHE 1 -6.033 1.370 -18.872 161 HE1 PHE 1 HE1 PHE 1 -3.177 5.351 -17.982 162 HE2 PHE 1 HE2 PHE 1 -4.099 1.188 -17.312 163 HZ PHE 1 HZ PHE 1 -2.656 3.173 -16.885 164 H VAL 2 H VAL 2 -4.146 2.333 -21.457 165 HA VAL 2 HA VAL 2 -5.137 -0.264 -22.582 166 HB VAL 2 HB VAL 2 -2.390 1.031 -23.019 167 HG11 VAL 2 1HG1 VAL 2 -2.202 -1.417 -22.911 168 HG12 VAL 2 2HG1 VAL 2 -3.555 -1.600 -24.055 169 HG13 VAL 2 3HG1 VAL 2 -2.019 -0.883 -24.592 170 HG21 VAL 2 3HG2 VAL 2 -3.084 1.104 -25.433 171 HG22 VAL 2 1HG2 VAL 2 -4.722 0.607 -24.945 172 HG23 VAL 2 2HG2 VAL 2 -4.054 2.164 -24.397 173 H ASN 3 H ASN 3 -4.633 -2.043 -21.355 174 HA ASN 3 HA ASN 3 -3.551 -1.633 -18.704 175 HB2 ASN 3 1HB ASN 3 -3.432 -4.198 -18.733 176 HB3 ASN 3 2HB ASN 3 -5.049 -3.458 -18.846 177 HD21 ASN 3 2HD2 ASN 3 -3.172 -5.868 -20.061 178 HD22 ASN 3 1HD2 ASN 3 -3.936 -6.068 -21.617 179 H GLN 4 H GLN 4 -1.541 -1.533 -18.084 180 HA GLN 4 HA GLN 4 0.421 -3.412 -19.096 181 HB2 GLN 4 1HB GLN 4 2.086 -1.601 -19.647 182 HB3 GLN 4 2HB GLN 4 0.763 -1.733 -20.810 183 HG2 GLN 4 1HG GLN 4 -0.374 0.177 -19.703 184 HG3 GLN 4 2HG GLN 4 1.005 0.335 -18.620 185 HE21 GLN 4 2HE2 GLN 4 -0.266 0.918 -21.769 186 HE22 GLN 4 1HE2 GLN 4 1.096 1.829 -22.378 187 H HIS 5 H HIS 5 1.994 -3.674 -17.519 188 HA HIS 5 HA HIS 5 1.546 -2.539 -14.880 189 HB2 HIS 5 1HB HIS 5 4.009 -3.906 -16.047 190 HB3 HIS 5 2HB HIS 5 3.745 -3.547 -14.342 191 HD1 HIS 5 HD1 HIS 5 0.996 -4.562 -13.740 192 HD2 HIS 5 HD2 HIS 5 3.574 -6.577 -16.277 193 HE1 HIS 5 HE1 HIS 5 0.198 -7.001 -13.877 194 HE2 HIS 5 HE2 HIS 5 1.803 -8.194 -15.397 195 H LEU 6 H LEU 6 2.648 -0.853 -13.851 196 HA LEU 6 HA LEU 6 4.301 0.889 -15.660 197 HB2 LEU 6 1HB LEU 6 2.210 1.682 -13.621 198 HB3 LEU 6 2HB LEU 6 3.146 2.785 -14.609 199 HG LEU 6 HG LEU 6 1.161 0.801 -15.739 200 HD11 LEU 6 1HD1 LEU 6 -0.403 2.677 -15.885 201 HD12 LEU 6 2HD1 LEU 6 0.763 3.721 -15.039 202 HD13 LEU 6 3HD1 LEU 6 0.038 2.332 -14.203 203 HD21 LEU 6 3HD2 LEU 6 2.750 1.572 -17.409 204 HD22 LEU 6 1HD2 LEU 6 2.481 3.263 -16.911 205 HD23 LEU 6 2HD2 LEU 6 1.180 2.352 -17.686 206 H CYS 7 H CYS 7 6.348 0.689 -14.786 207 HA CYS 7 HA CYS 7 6.554 0.774 -11.800 208 HB2 CYS 7 1HB CYS 7 8.400 -0.471 -13.851 209 HB3 CYS 7 2HB CYS 7 8.628 -0.510 -12.099 210 H GLY 8 H GLY 8 7.278 2.747 -14.440 211 HA2 GLY 8 1HA GLY 8 9.205 4.279 -12.821 212 HA3 GLY 8 2HA GLY 8 9.822 3.609 -14.340 213 H SER 9 H SER 9 9.942 5.182 -15.842 214 HA SER 9 HA SER 9 8.504 7.616 -15.827 215 HB2 SER 9 1HB SER 9 9.080 7.286 -18.448 216 HB3 SER 9 2HB SER 9 10.316 7.701 -17.233 217 HG SER 9 HG SER 9 10.974 5.909 -18.466 218 H HIS 10 H HIS 10 7.638 4.449 -17.077 219 HA HIS 10 HA HIS 10 5.466 5.149 -18.755 220 HB2 HIS 10 1HB HIS 10 6.217 2.761 -17.093 221 HB3 HIS 10 2HB HIS 10 4.579 2.859 -17.727 222 HD1 HIS 10 HD1 HIS 10 4.177 1.989 -20.039 223 HD2 HIS 10 HD2 HIS 10 8.210 2.947 -19.330 224 HE1 HIS 10 HE1 HIS 10 5.477 1.272 -22.084 225 HE2 HIS 10 HE2 HIS 10 7.908 1.864 -21.666 226 H LEU 11 H LEU 11 5.627 4.901 -15.196 227 HA LEU 11 HA LEU 11 2.770 4.979 -14.836 228 HB2 LEU 11 1HB LEU 11 4.444 4.117 -13.193 229 HB3 LEU 11 2HB LEU 11 5.013 5.757 -12.937 230 HG LEU 11 HG LEU 11 3.009 6.386 -11.805 231 HD11 LEU 11 1HD1 LEU 11 1.888 3.655 -12.520 232 HD12 LEU 11 2HD1 LEU 11 1.304 5.228 -13.126 233 HD13 LEU 11 3HD1 LEU 11 1.144 4.824 -11.410 234 HD21 LEU 11 3HD2 LEU 11 3.114 4.875 -9.913 235 HD22 LEU 11 1HD2 LEU 11 4.739 5.003 -10.619 236 HD23 LEU 11 2HD2 LEU 11 3.749 3.560 -10.934 237 H VAL 12 H VAL 12 5.366 7.408 -14.924 238 HA VAL 12 HA VAL 12 3.737 9.659 -14.252 239 HB VAL 12 HB VAL 12 6.249 9.525 -15.995 240 HG11 VAL 12 1HG1 VAL 12 5.065 11.860 -14.455 241 HG12 VAL 12 2HG1 VAL 12 6.581 11.872 -15.381 242 HG13 VAL 12 3HG1 VAL 12 5.033 11.664 -16.220 243 HG21 VAL 12 3HG2 VAL 12 7.439 10.136 -13.872 244 HG22 VAL 12 1HG2 VAL 12 5.914 9.894 -12.987 245 HG23 VAL 12 2HG2 VAL 12 6.698 8.527 -13.815 246 H GLU 13 H GLU 13 4.607 8.131 -17.371 247 HA GLU 13 HA GLU 13 3.259 10.028 -19.043 248 HB2 GLU 13 1HB GLU 13 3.931 7.090 -19.412 249 HB3 GLU 13 2HB GLU 13 3.256 8.102 -20.693 250 HG2 GLU 13 1HG GLU 13 5.198 9.527 -20.695 251 HG3 GLU 13 2HG GLU 13 5.859 8.724 -19.268 252 HE2 GLU 13 HE2 GLU 13 6.721 7.398 -22.751 253 H ALA 14 H ALA 14 2.140 7.177 -17.261 254 HA ALA 14 HA ALA 14 -0.443 7.093 -18.581 255 HB1 ALA 14 3HB ALA 14 -1.037 5.548 -16.768 256 HB2 ALA 14 1HB ALA 14 0.558 5.139 -17.446 257 HB3 ALA 14 2HB ALA 14 0.445 5.991 -15.888 258 H LEU 15 H LEU 15 0.858 8.555 -15.592 259 HA LEU 15 HA LEU 15 -1.649 9.457 -14.568 260 HB2 LEU 15 1HB LEU 15 1.202 10.405 -14.204 261 HB3 LEU 15 2HB LEU 15 -0.154 11.140 -13.354 262 HG LEU 15 HG LEU 15 0.410 8.176 -13.171 263 HD11 LEU 15 1HD1 LEU 15 2.427 9.380 -12.403 264 HD12 LEU 15 2HD1 LEU 15 1.575 8.608 -11.052 265 HD13 LEU 15 3HD1 LEU 15 1.427 10.363 -11.306 266 HD21 LEU 15 3HD2 LEU 15 -0.912 8.318 -11.180 267 HD22 LEU 15 1HD2 LEU 15 -1.827 9.046 -12.501 268 HD23 LEU 15 2HD2 LEU 15 -1.019 10.089 -11.309 269 H TYR 16 H TYR 16 0.629 10.906 -16.883 270 HA TYR 16 HA TYR 16 -0.506 13.492 -17.090 271 HB2 TYR 16 1HB TYR 16 0.954 11.636 -18.932 272 HB3 TYR 16 2HB TYR 16 0.033 12.932 -19.689 273 HD1 TYR 16 HD1 TYR 16 0.509 15.358 -18.976 274 HD2 TYR 16 HD2 TYR 16 3.128 12.073 -18.054 275 HE1 TYR 16 HE1 TYR 16 2.392 16.957 -18.596 276 HE2 TYR 16 HE2 TYR 16 5.006 13.679 -17.687 277 HH TYR 16 HH TYR 16 5.653 15.875 -17.650 278 H LEU 17 H LEU 17 -1.455 10.422 -18.674 279 HA LEU 17 HA LEU 17 -3.584 11.648 -20.180 280 HB2 LEU 17 1HB LEU 17 -3.141 8.756 -19.386 281 HB3 LEU 17 2HB LEU 17 -4.309 9.326 -20.566 282 HG LEU 17 HG LEU 17 -1.302 9.640 -20.857 283 HD11 LEU 17 1HD1 LEU 17 -1.448 7.759 -22.436 284 HD12 LEU 17 2HD1 LEU 17 -3.180 7.575 -22.072 285 HD13 LEU 17 3HD1 LEU 17 -1.961 7.268 -20.809 286 HD21 LEU 17 3HD2 LEU 17 -1.853 10.054 -23.245 287 HD22 LEU 17 1HD2 LEU 17 -2.550 11.283 -22.176 288 HD23 LEU 17 2HD2 LEU 17 -3.586 10.000 -22.843 289 H VAL 18 H VAL 18 -3.506 9.805 -17.122 290 HA VAL 18 HA VAL 18 -6.390 9.599 -17.020 291 HB VAL 18 HB VAL 18 -4.257 9.146 -14.884 292 HG11 VAL 18 1HG1 VAL 18 -7.230 8.487 -14.882 293 HG12 VAL 18 2HG1 VAL 18 -6.046 7.824 -13.732 294 HG13 VAL 18 3HG1 VAL 18 -6.358 9.564 -13.764 295 HG21 VAL 18 3HG2 VAL 18 -5.785 7.264 -16.722 296 HG22 VAL 18 1HG2 VAL 18 -4.052 7.630 -16.773 297 HG23 VAL 18 2HG2 VAL 18 -4.723 6.752 -15.395 298 H CYS 19 H CYS 19 -4.012 11.694 -15.336 299 HA CYS 19 HA CYS 19 -6.253 13.036 -13.971 300 HB2 CYS 19 1HB CYS 19 -3.503 12.740 -13.440 301 HB3 CYS 19 2HB CYS 19 -3.745 14.461 -13.787 302 H GLY 20 H GLY 20 -4.480 13.285 -16.958 303 HA2 GLY 20 1HA GLY 20 -4.813 14.697 -18.725 304 HA3 GLY 20 2HA GLY 20 -6.370 15.087 -17.988 305 H GLU 21 H GLU 21 -6.443 17.182 -18.479 306 HA GLU 21 HA GLU 21 -4.245 18.985 -18.255 307 HB2 GLU 21 1HB GLU 21 -7.239 19.475 -18.392 308 HB3 GLU 21 2HB GLU 21 -6.004 20.730 -18.559 309 HG2 GLU 21 1HG GLU 21 -5.094 19.561 -20.548 310 HG3 GLU 21 2HG GLU 21 -6.368 18.342 -20.406 311 HE2 GLU 21 HE2 GLU 21 -7.477 20.690 -22.789 312 H ARG 22 H ARG 22 -6.152 17.699 -15.667 313 HA ARG 22 HA ARG 22 -6.118 20.154 -14.114 314 HB2 ARG 22 1HB ARG 22 -7.383 19.091 -12.610 315 HB3 ARG 22 2HB ARG 22 -7.666 18.011 -13.972 316 HG2 ARG 22 1HG ARG 22 -5.727 16.601 -13.015 317 HG3 ARG 22 2HG ARG 22 -5.904 17.597 -11.557 318 HD2 ARG 22 1HD ARG 22 -7.291 15.807 -11.104 319 HD3 ARG 22 2HD ARG 22 -8.429 17.002 -11.763 320 HE ARG 22 HE ARG 22 -7.503 15.560 -13.953 321 HH11 ARG 22 1HH1 ARG 22 -9.234 14.691 -10.980 322 HH12 ARG 22 2HH1 ARG 22 -9.957 13.276 -11.715 323 HH21 ARG 22 1HH2 ARG 22 -8.496 13.735 -14.793 324 HH22 ARG 22 2HH2 ARG 22 -9.562 12.766 -13.800 325 H GLY 23 H GLY 23 -3.736 17.982 -15.014 326 HA2 GLY 23 1HA GLY 23 -1.479 18.044 -14.430 327 HA3 GLY 23 2HA GLY 23 -1.862 19.144 -13.084 328 H PHE 24 H PHE 24 -0.077 17.201 -12.541 329 HA PHE 24 HA PHE 24 -1.485 15.549 -10.601 330 HB2 PHE 24 1HB PHE 24 -0.785 13.421 -11.440 331 HB3 PHE 24 2HB PHE 24 -1.644 14.231 -12.746 332 HD1 PHE 24 HD1 PHE 24 -0.283 15.327 -14.596 333 HD2 PHE 24 HD2 PHE 24 1.410 12.685 -11.666 334 HE1 PHE 24 HE1 PHE 24 1.680 14.982 -16.048 335 HE2 PHE 24 HE2 PHE 24 3.358 12.290 -13.118 336 HZ PHE 24 HZ PHE 24 3.517 13.447 -15.333 337 H PHE 25 H PHE 25 0.224 14.162 -9.438 338 HA PHE 25 HA PHE 25 2.944 15.337 -9.626 339 HB2 PHE 25 1HB PHE 25 3.107 15.329 -7.164 340 HB3 PHE 25 2HB PHE 25 1.866 16.457 -7.717 341 HD1 PHE 25 HD2 PHE 25 2.451 13.159 -6.097 342 HD2 PHE 25 HD1 PHE 25 -0.459 16.159 -7.130 343 HE1 PHE 25 HE2 PHE 25 0.793 12.054 -4.609 344 HE2 PHE 25 HE1 PHE 25 -2.114 15.070 -5.616 345 HZ PHE 25 HZ PHE 25 -1.493 13.007 -4.364 346 H TYR 26 H TYR 26 4.492 13.759 -8.500 347 HA TYR 26 HA TYR 26 3.437 10.999 -8.356 348 HB2 TYR 26 1HB TYR 26 4.060 11.180 -10.697 349 HB3 TYR 26 2HB TYR 26 5.603 11.937 -10.276 350 HD1 TYR 26 HD2 TYR 26 3.725 8.790 -9.324 351 HD2 TYR 26 HD1 TYR 26 7.483 10.567 -10.441 352 HE1 TYR 26 HE2 TYR 26 4.835 6.574 -9.162 353 HE2 TYR 26 HE1 TYR 26 8.570 8.326 -10.327 354 HH TYR 26 HH TYR 26 8.287 6.102 -9.945 355 H THR 27 H THR 27 4.531 9.786 -6.892 356 HA THR 27 HA THR 27 6.815 11.102 -5.522 357 HB THR 27 HB THR 27 5.344 10.757 -3.795 358 HG1 THR 27 HG1 THR 27 7.106 9.536 -3.203 359 HG21 THR 27 1HG2 THR 27 3.888 8.716 -3.659 360 HG22 THR 27 2HG2 THR 27 4.420 8.318 -5.308 361 HG23 THR 27 3HG2 THR 27 3.520 9.826 -4.992 362 HA PRO 28 HA PRO 28 8.863 7.726 -7.662 363 HB2 PRO 28 1HB PRO 28 11.410 8.660 -7.530 364 HB3 PRO 28 2HB PRO 28 10.169 9.430 -8.570 365 HG2 PRO 28 1HG PRO 28 11.178 10.265 -5.880 366 HG3 PRO 28 2HG PRO 28 10.827 11.262 -7.321 367 HD2 PRO 28 1HD PRO 28 9.119 10.918 -5.148 368 HD3 PRO 28 2HD PRO 28 8.555 11.390 -6.782 369 H LYS 29 H LYS 29 10.416 6.024 -7.184 370 HA LYS 29 HA LYS 29 10.499 5.380 -4.308 371 HB2 LYS 29 1HB LYS 29 11.524 3.856 -6.738 372 HB3 LYS 29 2HB LYS 29 11.499 3.248 -5.078 373 HG2 LYS 29 1HG LYS 29 8.980 3.527 -5.133 374 HG3 LYS 29 2HG LYS 29 9.129 3.839 -6.871 375 HD2 LYS 29 1HD LYS 29 10.097 1.303 -5.456 376 HD3 LYS 29 2HD LYS 29 8.561 1.461 -6.320 377 HE2 LYS 29 1HE LYS 29 9.842 0.485 -7.971 378 HE3 LYS 29 2HE LYS 29 10.099 2.192 -8.355 379 HZ1 LYS 29 3HZ LYS 29 11.971 0.465 -6.808 380 HZ2 LYS 29 1HZ LYS 29 12.227 2.057 -7.151 381 HZ3 LYS 29 2HZ LYS 29 12.180 0.946 -8.370 382 H THR 30 H THR 30 11.976 6.917 -3.497 383 HA THR 30 HA THR 30 14.616 7.139 -4.746 384 HB THR 30 HB THR 30 15.105 8.668 -2.785 385 HG1 THR 30 HG1 THR 30 13.195 9.145 -1.489 386 HG21 THR 30 1HG2 THR 30 13.555 10.457 -3.469 387 HG22 THR 30 2HG2 THR 30 12.403 9.291 -4.133 388 HG23 THR 30 3HG2 THR 30 13.977 9.539 -4.919 389 HXT THR 30 H02 THR 30 13.755 6.462 -1.631 Start of MODEL 45 1 H1 GLY 1 3H0 GLY 1 1.207 -1.586 -1.292 2 H2 GLY 1 2H0 GLY 1 2.702 -1.693 -1.979 3 H3 GLY 1 1H0 GLY 1 2.556 -1.437 -0.356 4 HA2 GLY 1 1HA GLY 1 1.579 0.727 -0.707 5 HA3 GLY 1 2HA GLY 1 3.178 0.610 -1.466 6 H ILE 2 H ILE 2 1.333 2.569 -2.363 7 HA ILE 2 HA ILE 2 -0.363 1.591 -4.415 8 HB ILE 2 HB ILE 2 -0.579 3.809 -3.283 9 HG12 ILE 2 1HG1 ILE 2 -0.485 3.940 -6.312 10 HG13 ILE 2 2HG1 ILE 2 -1.763 3.168 -5.375 11 HG21 ILE 2 1HG2 ILE 2 1.882 4.482 -3.473 12 HG22 ILE 2 2HG2 ILE 2 1.577 4.842 -5.193 13 HG23 ILE 2 3HG2 ILE 2 0.724 5.743 -3.925 14 HD11 ILE 2 3HD1 ILE 2 -2.508 5.362 -6.085 15 HD12 ILE 2 1HD1 ILE 2 -2.285 5.387 -4.321 16 HD13 ILE 2 2HD1 ILE 2 -1.074 6.139 -5.389 17 H VAL 3 H VAL 3 3.008 2.836 -4.717 18 HA VAL 3 HA VAL 3 3.041 2.591 -7.565 19 HB VAL 3 HB VAL 3 4.669 3.985 -6.328 20 HG11 VAL 3 1HG1 VAL 3 5.948 1.379 -5.388 21 HG12 VAL 3 2HG1 VAL 3 6.564 3.020 -5.117 22 HG13 VAL 3 3HG1 VAL 3 5.043 2.522 -4.360 23 HG21 VAL 3 3HG2 VAL 3 6.071 1.780 -7.897 24 HG22 VAL 3 1HG2 VAL 3 5.205 3.155 -8.612 25 HG23 VAL 3 2HG2 VAL 3 6.652 3.441 -7.628 26 H GLU 4 H GLU 4 3.617 0.299 -4.969 27 HA GLU 4 HA GLU 4 4.783 -1.758 -6.560 28 HB2 GLU 4 1HB GLU 4 4.740 -1.602 -4.041 29 HB3 GLU 4 2HB GLU 4 3.029 -2.011 -4.101 30 HG2 GLU 4 1HG GLU 4 3.617 -4.181 -5.165 31 HG3 GLU 4 2HG GLU 4 5.326 -3.775 -4.943 32 HE2 GLU 4 HE2 GLU 4 4.617 -5.700 -2.144 33 H GLN 5 H GLN 5 1.404 -0.896 -5.760 34 HA GLN 5 HA GLN 5 0.197 -3.209 -6.859 35 HB2 GLN 5 1HB GLN 5 -0.760 -1.267 -5.413 36 HB3 GLN 5 2HB GLN 5 -1.084 -0.464 -6.950 37 HG2 GLN 5 1HG GLN 5 -2.045 -3.291 -6.495 38 HG3 GLN 5 2HG GLN 5 -2.917 -1.946 -5.752 39 HE21 GLN 5 2HE2 GLN 5 -2.590 -3.837 -8.510 40 HE22 GLN 5 1HE2 GLN 5 -3.556 -2.871 -9.599 41 H CYS 6 H CYS 6 1.044 -0.068 -8.373 42 HA CYS 6 HA CYS 6 -0.035 -0.841 -10.957 43 HB2 CYS 6 1HB CYS 6 1.799 1.387 -10.031 44 HB3 CYS 6 2HB CYS 6 1.374 1.151 -11.724 45 H CYS 7 H CYS 7 3.101 -1.237 -9.394 46 HA CYS 7 HA CYS 7 4.440 -1.699 -11.939 47 HB2 CYS 7 1HB CYS 7 5.211 -1.503 -9.096 48 HB3 CYS 7 2HB CYS 7 6.151 -2.667 -10.036 49 H THR 8 H THR 8 3.595 -3.790 -9.115 50 HA THR 8 HA THR 8 4.664 -6.099 -10.557 51 HB THR 8 HB THR 8 4.753 -5.669 -7.984 52 HG1 THR 8 HG1 THR 8 4.626 -7.987 -7.684 53 HG21 THR 8 1HG2 THR 8 2.974 -6.551 -6.650 54 HG22 THR 8 2HG2 THR 8 2.109 -7.167 -8.073 55 HG23 THR 8 3HG2 THR 8 2.209 -5.415 -7.780 56 H SER 9 H SER 9 1.588 -4.529 -10.320 57 HA SER 9 HA SER 9 0.483 -6.697 -11.971 58 HB2 SER 9 1HB SER 9 -0.090 -7.144 -9.499 59 HB3 SER 9 2HB SER 9 -1.070 -5.665 -9.548 60 HG SER 9 HG SER 9 -2.125 -7.783 -10.041 61 H ILE 10 H ILE 10 -2.091 -5.840 -12.259 62 HA ILE 10 HA ILE 10 -1.525 -3.422 -13.866 63 HB ILE 10 HB ILE 10 -4.059 -5.124 -13.694 64 HG12 ILE 10 1HG1 ILE 10 -2.135 -6.474 -14.463 65 HG13 ILE 10 2HG1 ILE 10 -3.381 -6.277 -15.688 66 HG21 ILE 10 1HG2 ILE 10 -3.171 -3.035 -15.742 67 HG22 ILE 10 2HG2 ILE 10 -4.608 -4.081 -15.894 68 HG23 ILE 10 3HG2 ILE 10 -4.522 -2.892 -14.588 69 HD11 ILE 10 3HD1 ILE 10 -2.043 -4.732 -16.946 70 HD12 ILE 10 1HD1 ILE 10 -0.847 -4.603 -15.642 71 HD13 ILE 10 2HD1 ILE 10 -1.022 -6.122 -16.545 72 H CYS 11 H CYS 11 -2.278 -1.410 -13.379 73 HA CYS 11 HA CYS 11 -4.445 -1.243 -11.338 74 HB2 CYS 11 1HB CYS 11 -3.519 0.787 -10.478 75 HB3 CYS 11 2HB CYS 11 -2.278 -0.452 -10.416 76 H SER 12 H SER 12 -6.144 0.044 -11.914 77 HA SER 12 HA SER 12 -6.341 0.575 -14.800 78 HB2 SER 12 1HB SER 12 -8.724 0.893 -14.307 79 HB3 SER 12 2HB SER 12 -8.143 -0.601 -13.539 80 HG SER 12 HG SER 12 -9.236 0.438 -11.961 81 H LEU 13 H LEU 13 -7.711 2.665 -15.328 82 HA LEU 13 HA LEU 13 -6.142 4.922 -14.634 83 HB2 LEU 13 1HB LEU 13 -7.734 6.227 -15.821 84 HB3 LEU 13 2HB LEU 13 -7.507 4.715 -16.675 85 HG LEU 13 HG LEU 13 -9.745 4.139 -15.196 86 HD11 LEU 13 1HD1 LEU 13 -11.254 6.096 -15.441 87 HD12 LEU 13 2HD1 LEU 13 -9.881 7.087 -15.977 88 HD13 LEU 13 3HD1 LEU 13 -9.924 6.434 -14.321 89 HD21 LEU 13 3HD2 LEU 13 -9.402 3.725 -17.595 90 HD22 LEU 13 1HD2 LEU 13 -9.616 5.461 -17.934 91 HD23 LEU 13 2HD2 LEU 13 -10.971 4.499 -17.297 92 H TYR 14 H TYR 14 -9.042 3.550 -13.119 93 HA TYR 14 HA TYR 14 -9.645 5.821 -11.488 94 HB2 TYR 14 1HB TYR 14 -10.149 2.913 -10.805 95 HB3 TYR 14 2HB TYR 14 -11.075 4.324 -10.284 96 HD1 TYR 14 HD2 TYR 14 -12.203 5.733 -12.247 97 HD2 TYR 14 HD1 TYR 14 -10.864 1.661 -12.653 98 HE1 TYR 14 HE2 TYR 14 -13.691 5.433 -14.233 99 HE2 TYR 14 HE1 TYR 14 -12.336 1.382 -14.654 100 HH TYR 14 HH TYR 14 -13.911 2.352 -16.011 101 H GLN 15 H GLN 15 -7.542 2.978 -11.064 102 HA GLN 15 HA GLN 15 -6.838 3.531 -8.324 103 HB2 GLN 15 1HB GLN 15 -5.296 2.081 -10.503 104 HB3 GLN 15 2HB GLN 15 -4.899 2.048 -8.788 105 HG2 GLN 15 1HG GLN 15 -7.496 1.005 -9.977 106 HG3 GLN 15 2HG GLN 15 -6.082 0.012 -9.597 107 HE21 GLN 15 2HE2 GLN 15 -5.416 -0.199 -7.389 108 HE22 GLN 15 1HE2 GLN 15 -6.604 0.020 -6.117 109 H LEU 16 H LEU 16 -5.538 4.442 -11.502 110 HA LEU 16 HA LEU 16 -3.199 5.764 -10.538 111 HB2 LEU 16 1HB LEU 16 -4.784 5.927 -13.094 112 HB3 LEU 16 2HB LEU 16 -3.355 6.921 -12.829 113 HG LEU 16 HG LEU 16 -3.300 3.898 -12.567 114 HD11 LEU 16 1HD1 LEU 16 -2.347 3.831 -14.830 115 HD12 LEU 16 2HD1 LEU 16 -2.659 5.573 -15.016 116 HD13 LEU 16 3HD1 LEU 16 -4.012 4.432 -14.838 117 HD21 LEU 16 3HD2 LEU 16 -0.880 4.198 -12.934 118 HD22 LEU 16 1HD2 LEU 16 -1.423 5.098 -11.511 119 HD23 LEU 16 2HD2 LEU 16 -1.103 5.959 -13.034 120 H GLU 17 H GLU 17 -6.548 6.937 -10.937 121 HA GLU 17 HA GLU 17 -5.995 9.718 -10.715 122 HB2 GLU 17 1HB GLU 17 -8.359 8.033 -9.858 123 HB3 GLU 17 2HB GLU 17 -8.315 9.781 -9.618 124 HG2 GLU 17 1HG GLU 17 -8.039 10.133 -12.019 125 HG3 GLU 17 2HG GLU 17 -8.058 8.389 -12.286 126 HE2 GLU 17 HE2 GLU 17 -11.404 10.305 -11.484 127 H ASN 18 H ASN 18 -5.771 7.225 -8.262 128 HA ASN 18 HA ASN 18 -6.089 8.915 -5.961 129 HB2 ASN 18 1HB ASN 18 -4.578 6.327 -6.381 130 HB3 ASN 18 2HB ASN 18 -4.642 7.152 -4.823 131 HD21 ASN 18 2HD2 ASN 18 -6.269 5.087 -6.994 132 HD22 ASN 18 1HD2 ASN 18 -7.744 4.924 -6.066 133 H TYR 19 H TYR 19 -3.403 8.520 -8.200 134 HA TYR 19 HA TYR 19 -1.347 9.615 -6.450 135 HB2 TYR 19 1HB TYR 19 -1.659 9.351 -9.443 136 HB3 TYR 19 2HB TYR 19 -0.240 10.093 -8.728 137 HD1 TYR 19 HD2 TYR 19 -2.108 6.876 -9.061 138 HD2 TYR 19 HD1 TYR 19 1.512 8.777 -7.739 139 HE1 TYR 19 HE2 TYR 19 -1.009 4.653 -8.880 140 HE2 TYR 19 HE1 TYR 19 2.600 6.545 -7.555 141 HH TYR 19 HH TYR 19 2.400 4.316 -7.926 142 H CYS 20 H CYS 20 -3.863 10.867 -8.557 143 HA CYS 20 HA CYS 20 -2.828 13.631 -8.472 144 HB2 CYS 20 1HB CYS 20 -5.459 12.613 -9.590 145 HB3 CYS 20 2HB CYS 20 -4.590 14.091 -10.036 146 H ASN 21 H ASN 21 -3.154 12.803 -5.990 147 HA ASN 21 HA ASN 21 -5.796 12.858 -4.908 148 HB2 ASN 21 1HB ASN 21 -3.377 12.011 -3.991 149 HB3 ASN 21 2HB ASN 21 -3.501 13.529 -3.097 150 HD21 ASN 21 2HD2 ASN 21 -4.786 10.351 -3.654 151 HD22 ASN 21 1HD2 ASN 21 -5.885 10.334 -2.287 152 HXT ASN 21 H02 ASN 21 -6.488 15.978 -4.068 153 H1 PHE 1 3H0 PHE 1 -7.559 4.695 -23.070 154 H2 PHE 1 2H0 PHE 1 -7.181 3.513 -24.159 155 H3 PHE 1 1H0 PHE 1 -8.377 3.261 -23.054 156 HA PHE 1 HA PHE 1 -5.510 3.588 -22.451 157 HB2 PHE 1 1HB PHE 1 -7.302 4.478 -20.798 158 HB3 PHE 1 2HB PHE 1 -7.714 2.780 -20.530 159 HD1 PHE 1 HD2 PHE 1 -5.094 5.383 -20.121 160 HD2 PHE 1 HD1 PHE 1 -6.245 1.326 -19.232 161 HE1 PHE 1 HE2 PHE 1 -3.262 5.235 -18.441 162 HE2 PHE 1 HE1 PHE 1 -4.404 1.168 -17.561 163 HZ PHE 1 HZ PHE 1 -2.915 3.123 -17.159 164 H VAL 2 H VAL 2 -4.461 1.568 -21.763 165 HA VAL 2 HA VAL 2 -6.012 -0.899 -22.306 166 HB VAL 2 HB VAL 2 -4.811 -0.274 -24.452 167 HG11 VAL 2 1HG1 VAL 2 -2.261 -0.775 -22.861 168 HG12 VAL 2 2HG1 VAL 2 -2.382 -0.433 -24.599 169 HG13 VAL 2 3HG1 VAL 2 -2.821 0.820 -23.421 170 HG21 VAL 2 3HG2 VAL 2 -5.341 -2.637 -23.880 171 HG22 VAL 2 1HG2 VAL 2 -3.877 -2.485 -24.869 172 HG23 VAL 2 2HG2 VAL 2 -3.734 -2.800 -23.126 173 H ASN 3 H ASN 3 -5.238 -2.652 -21.021 174 HA ASN 3 HA ASN 3 -3.904 -1.748 -18.617 175 HB2 ASN 3 1HB ASN 3 -3.861 -4.176 -18.000 176 HB3 ASN 3 2HB ASN 3 -5.487 -3.502 -18.285 177 HD21 ASN 3 2HD2 ASN 3 -6.654 -4.172 -20.138 178 HD22 ASN 3 1HD2 ASN 3 -6.184 -5.605 -21.019 179 H GLN 4 H GLN 4 -1.912 -1.814 -18.015 180 HA GLN 4 HA GLN 4 -0.044 -3.815 -18.954 181 HB2 GLN 4 1HB GLN 4 1.663 -2.142 -19.705 182 HB3 GLN 4 2HB GLN 4 0.288 -2.254 -20.807 183 HG2 GLN 4 1HG GLN 4 -0.672 -0.197 -19.798 184 HG3 GLN 4 2HG GLN 4 0.750 -0.071 -18.757 185 HE21 GLN 4 2HE2 GLN 4 -0.406 0.005 -22.082 186 HE22 GLN 4 1HE2 GLN 4 0.944 0.914 -22.719 187 H HIS 5 H HIS 5 1.711 -3.786 -17.466 188 HA HIS 5 HA HIS 5 1.222 -2.563 -14.871 189 HB2 HIS 5 1HB HIS 5 3.804 -3.737 -16.000 190 HB3 HIS 5 2HB HIS 5 3.471 -3.379 -14.303 191 HD1 HIS 5 HD1 HIS 5 0.863 -4.668 -13.701 192 HD2 HIS 5 HD2 HIS 5 3.635 -6.455 -16.214 193 HE1 HIS 5 HE1 HIS 5 0.309 -7.170 -13.796 194 HE2 HIS 5 HE2 HIS 5 2.025 -8.223 -15.305 195 H LEU 6 H LEU 6 2.263 -0.722 -13.984 196 HA LEU 6 HA LEU 6 3.654 1.025 -15.992 197 HB2 LEU 6 1HB LEU 6 1.636 1.657 -13.833 198 HB3 LEU 6 2HB LEU 6 2.716 2.852 -14.468 199 HG LEU 6 HG LEU 6 0.922 3.433 -15.603 200 HD11 LEU 6 1HD1 LEU 6 0.765 2.495 -17.898 201 HD12 LEU 6 2HD1 LEU 6 1.899 1.214 -17.424 202 HD13 LEU 6 3HD1 LEU 6 2.407 2.915 -17.411 203 HD21 LEU 6 3HD2 LEU 6 -0.003 0.571 -15.635 204 HD22 LEU 6 1HD2 LEU 6 -0.894 1.947 -16.320 205 HD23 LEU 6 2HD2 LEU 6 -0.572 1.880 -14.580 206 H CYS 7 H CYS 7 5.738 1.173 -15.465 207 HA CYS 7 HA CYS 7 6.405 1.844 -12.630 208 HB2 CYS 7 1HB CYS 7 7.978 0.042 -14.518 209 HB3 CYS 7 2HB CYS 7 8.571 0.644 -12.970 210 H GLY 8 H GLY 8 8.288 3.228 -12.442 211 HA2 GLY 8 1HA GLY 8 9.650 4.964 -13.112 212 HA3 GLY 8 2HA GLY 8 9.956 3.967 -14.537 213 H SER 9 H SER 9 9.900 5.216 -16.260 214 HA SER 9 HA SER 9 8.471 7.648 -16.478 215 HB2 SER 9 1HB SER 9 8.919 7.341 -18.952 216 HB3 SER 9 2HB SER 9 10.349 7.218 -17.901 217 HG SER 9 HG SER 9 10.269 5.517 -19.427 218 H HIS 10 H HIS 10 7.511 4.313 -17.352 219 HA HIS 10 HA HIS 10 5.222 5.068 -18.892 220 HB2 HIS 10 1HB HIS 10 6.104 2.593 -17.449 221 HB3 HIS 10 2HB HIS 10 4.408 2.724 -17.892 222 HD1 HIS 10 HD1 HIS 10 3.881 1.618 -20.068 223 HD2 HIS 10 HD2 HIS 10 7.729 3.312 -20.010 224 HE1 HIS 10 HE1 HIS 10 4.931 1.154 -22.325 225 HE2 HIS 10 HE2 HIS 10 7.248 2.180 -22.288 226 H LEU 11 H LEU 11 5.710 4.730 -15.386 227 HA LEU 11 HA LEU 11 2.899 4.831 -14.769 228 HB2 LEU 11 1HB LEU 11 4.618 3.936 -13.236 229 HB3 LEU 11 2HB LEU 11 5.318 5.539 -13.078 230 HG LEU 11 HG LEU 11 3.352 6.350 -11.901 231 HD11 LEU 11 1HD1 LEU 11 2.243 3.531 -12.200 232 HD12 LEU 11 2HD1 LEU 11 1.577 5.010 -12.941 233 HD13 LEU 11 3HD1 LEU 11 1.558 4.817 -11.181 234 HD21 LEU 11 3HD2 LEU 11 4.350 3.678 -10.835 235 HD22 LEU 11 1HD2 LEU 11 3.618 4.990 -9.877 236 HD23 LEU 11 2HD2 LEU 11 5.183 5.246 -10.673 237 H VAL 12 H VAL 12 5.469 7.360 -14.791 238 HA VAL 12 HA VAL 12 3.579 9.360 -13.965 239 HB VAL 12 HB VAL 12 6.104 9.463 -13.654 240 HG11 VAL 12 1HG1 VAL 12 7.459 10.498 -15.411 241 HG12 VAL 12 2HG1 VAL 12 6.803 8.948 -15.950 242 HG13 VAL 12 3HG1 VAL 12 6.077 10.464 -16.530 243 HG21 VAL 12 3HG2 VAL 12 4.765 11.899 -14.862 244 HG22 VAL 12 1HG2 VAL 12 4.623 11.347 -13.177 245 HG23 VAL 12 2HG2 VAL 12 6.191 11.897 -13.799 246 H GLU 13 H GLU 13 4.578 8.115 -17.134 247 HA GLU 13 HA GLU 13 3.307 10.166 -18.698 248 HB2 GLU 13 1HB GLU 13 4.015 7.272 -19.224 249 HB3 GLU 13 2HB GLU 13 3.200 8.267 -20.435 250 HG2 GLU 13 1HG GLU 13 5.049 9.818 -20.519 251 HG3 GLU 13 2HG GLU 13 5.854 9.009 -19.171 252 HE2 GLU 13 HE2 GLU 13 6.665 7.901 -22.706 253 H ALA 14 H ALA 14 2.110 7.103 -17.253 254 HA ALA 14 HA ALA 14 -0.430 7.183 -18.554 255 HB1 ALA 14 3HB ALA 14 -1.115 5.608 -16.814 256 HB2 ALA 14 1HB ALA 14 0.512 5.196 -17.400 257 HB3 ALA 14 2HB ALA 14 0.314 6.026 -15.838 258 H LEU 15 H LEU 15 0.793 8.653 -15.528 259 HA LEU 15 HA LEU 15 -1.755 9.510 -14.577 260 HB2 LEU 15 1HB LEU 15 1.024 10.631 -14.132 261 HB3 LEU 15 2HB LEU 15 -0.410 11.194 -13.284 262 HG LEU 15 HG LEU 15 0.693 8.375 -13.126 263 HD11 LEU 15 1HD1 LEU 15 1.368 8.960 -10.867 264 HD12 LEU 15 2HD1 LEU 15 0.760 10.618 -11.093 265 HD13 LEU 15 3HD1 LEU 15 2.149 10.038 -12.042 266 HD21 LEU 15 3HD2 LEU 15 -0.909 8.134 -11.276 267 HD22 LEU 15 1HD2 LEU 15 -1.704 8.399 -12.829 268 HD23 LEU 15 2HD2 LEU 15 -1.575 9.737 -11.671 269 H TYR 16 H TYR 16 0.493 11.020 -16.891 270 HA TYR 16 HA TYR 16 -0.859 13.561 -16.969 271 HB2 TYR 16 1HB TYR 16 0.833 12.066 -18.996 272 HB3 TYR 16 2HB TYR 16 0.062 13.606 -19.376 273 HD1 TYR 16 HD1 TYR 16 0.573 15.640 -17.842 274 HD2 TYR 16 HD2 TYR 16 2.961 12.065 -17.914 275 HE1 TYR 16 HE1 TYR 16 2.474 16.880 -16.803 276 HE2 TYR 16 HE2 TYR 16 4.859 13.313 -16.889 277 HH TYR 16 HH TYR 16 5.595 15.317 -16.068 278 H LEU 17 H LEU 17 -1.407 10.473 -18.670 279 HA LEU 17 HA LEU 17 -3.468 11.581 -20.372 280 HB2 LEU 17 1HB LEU 17 -2.945 8.725 -19.511 281 HB3 LEU 17 2HB LEU 17 -4.060 9.234 -20.769 282 HG LEU 17 HG LEU 17 -1.054 9.675 -20.858 283 HD11 LEU 17 1HD1 LEU 17 -1.623 7.282 -20.877 284 HD12 LEU 17 2HD1 LEU 17 -1.019 7.811 -22.460 285 HD13 LEU 17 3HD1 LEU 17 -2.763 7.555 -22.218 286 HD21 LEU 17 3HD2 LEU 17 -1.457 10.085 -23.279 287 HD22 LEU 17 1HD2 LEU 17 -2.258 11.285 -22.250 288 HD23 LEU 17 2HD2 LEU 17 -3.210 9.979 -22.991 289 H VAL 18 H VAL 18 -3.515 9.777 -17.293 290 HA VAL 18 HA VAL 18 -6.373 9.422 -17.296 291 HB VAL 18 HB VAL 18 -4.262 9.227 -15.095 292 HG11 VAL 18 1HG1 VAL 18 -5.958 7.985 -13.770 293 HG12 VAL 18 2HG1 VAL 18 -6.401 9.680 -14.003 294 HG13 VAL 18 3HG1 VAL 18 -7.200 8.421 -14.971 295 HG21 VAL 18 3HG2 VAL 18 -4.629 6.798 -15.405 296 HG22 VAL 18 1HG2 VAL 18 -5.770 7.142 -16.720 297 HG23 VAL 18 2HG2 VAL 18 -4.061 7.574 -16.888 298 H CYS 19 H CYS 19 -4.215 11.738 -15.630 299 HA CYS 19 HA CYS 19 -6.634 13.049 -14.542 300 HB2 CYS 19 1HB CYS 19 -3.689 13.417 -13.951 301 HB3 CYS 19 2HB CYS 19 -5.012 14.313 -13.158 302 H GLY 20 H GLY 20 -4.695 13.295 -17.312 303 HA2 GLY 20 1HA GLY 20 -4.974 14.774 -19.044 304 HA3 GLY 20 2HA GLY 20 -6.261 15.556 -18.122 305 H GLU 21 H GLU 21 -5.463 17.457 -19.169 306 HA GLU 21 HA GLU 21 -2.861 18.543 -18.653 307 HB2 GLU 21 1HB GLU 21 -5.478 19.912 -19.401 308 HB3 GLU 21 2HB GLU 21 -3.884 20.661 -19.452 309 HG2 GLU 21 1HG GLU 21 -4.213 20.087 -21.677 310 HG3 GLU 21 2HG GLU 21 -3.243 18.732 -21.087 311 HE2 GLU 21 HE2 GLU 21 -5.779 17.195 -22.910 312 H ARG 22 H ARG 22 -5.398 18.085 -16.496 313 HA ARG 22 HA ARG 22 -5.227 20.522 -14.941 314 HB2 ARG 22 1HB ARG 22 -6.045 17.697 -14.166 315 HB3 ARG 22 2HB ARG 22 -6.290 19.131 -13.165 316 HG2 ARG 22 1HG ARG 22 -7.811 20.089 -14.807 317 HG3 ARG 22 2HG ARG 22 -7.506 18.749 -15.927 318 HD2 ARG 22 1HD ARG 22 -8.709 18.431 -13.155 319 HD3 ARG 22 2HD ARG 22 -9.645 18.526 -14.663 320 HE ARG 22 HE ARG 22 -7.651 16.489 -14.916 321 HH11 ARG 22 1HH1 ARG 22 -10.702 17.037 -13.211 322 HH12 ARG 22 2HH1 ARG 22 -11.077 15.336 -13.158 323 HH21 ARG 22 1HH2 ARG 22 -8.201 14.369 -14.825 324 HH22 ARG 22 2HH2 ARG 22 -9.672 13.843 -14.050 325 H GLY 23 H GLY 23 -3.252 17.674 -15.279 326 HA2 GLY 23 1HA GLY 23 -1.090 17.419 -14.452 327 HA3 GLY 23 2HA GLY 23 -1.321 18.829 -13.405 328 H PHE 24 H PHE 24 -0.065 17.127 -12.093 329 HA PHE 24 HA PHE 24 -1.797 16.020 -10.054 330 HB2 PHE 24 1HB PHE 24 -1.040 13.680 -10.333 331 HB3 PHE 24 2HB PHE 24 -2.007 14.212 -11.711 332 HD1 PHE 24 HD1 PHE 24 -1.042 14.533 -13.905 333 HD2 PHE 24 HD2 PHE 24 1.362 13.271 -10.587 334 HE1 PHE 24 HE1 PHE 24 0.781 13.916 -15.458 335 HE2 PHE 24 HE2 PHE 24 3.196 12.657 -12.126 336 HZ PHE 24 HZ PHE 24 2.912 12.988 -14.590 337 H PHE 25 H PHE 25 -0.041 14.638 -8.607 338 HA PHE 25 HA PHE 25 2.631 15.907 -8.936 339 HB2 PHE 25 1HB PHE 25 2.848 16.251 -6.569 340 HB3 PHE 25 2HB PHE 25 1.367 17.060 -7.091 341 HD1 PHE 25 HD2 PHE 25 -0.856 16.135 -6.460 342 HD2 PHE 25 HD1 PHE 25 2.805 14.340 -5.081 343 HE1 PHE 25 HE2 PHE 25 -2.121 14.881 -4.734 344 HE2 PHE 25 HE1 PHE 25 1.537 13.062 -3.361 345 HZ PHE 25 HZ PHE 25 -0.934 13.331 -3.185 346 H TYR 26 H TYR 26 4.317 14.575 -7.829 347 HA TYR 26 HA TYR 26 3.513 11.770 -7.317 348 HB2 TYR 26 1HB TYR 26 4.074 12.010 -9.777 349 HB3 TYR 26 2HB TYR 26 5.702 12.513 -9.295 350 HD1 TYR 26 HD2 TYR 26 3.285 9.703 -9.388 351 HD2 TYR 26 HD1 TYR 26 7.303 10.877 -8.401 352 HE1 TYR 26 HE2 TYR 26 3.945 7.314 -9.212 353 HE2 TYR 26 HE1 TYR 26 7.954 8.477 -8.215 354 HH TYR 26 HH TYR 26 7.274 6.308 -8.372 355 H THR 27 H THR 27 4.904 10.828 -5.804 356 HA THR 27 HA THR 27 7.065 12.632 -4.808 357 HB THR 27 HB THR 27 6.637 11.641 -2.549 358 HG1 THR 27 HG1 THR 27 4.073 10.908 -3.214 359 HG21 THR 27 1HG2 THR 27 4.640 12.964 -2.086 360 HG22 THR 27 2HG2 THR 27 4.217 12.987 -3.813 361 HG23 THR 27 3HG2 THR 27 5.672 13.834 -3.243 362 HA PRO 28 HA PRO 28 9.133 8.790 -6.059 363 HB2 PRO 28 1HB PRO 28 11.589 9.836 -6.597 364 HB3 PRO 28 2HB PRO 28 10.221 10.005 -7.745 365 HG2 PRO 28 1HG PRO 28 11.195 11.955 -5.671 366 HG3 PRO 28 2HG PRO 28 10.900 12.225 -7.419 367 HD2 PRO 28 1HD PRO 28 9.052 12.872 -5.561 368 HD3 PRO 28 2HD PRO 28 8.570 12.183 -7.150 369 H LYS 29 H LYS 29 11.138 7.715 -5.160 370 HA LYS 29 HA LYS 29 11.900 8.753 -2.466 371 HB2 LYS 29 1HB LYS 29 11.131 5.888 -3.167 372 HB3 LYS 29 2HB LYS 29 11.827 6.401 -1.625 373 HG2 LYS 29 1HG LYS 29 9.169 7.405 -2.723 374 HG3 LYS 29 2HG LYS 29 9.328 6.061 -1.587 375 HD2 LYS 29 1HD LYS 29 10.205 7.479 0.140 376 HD3 LYS 29 2HD LYS 29 10.429 8.834 -0.978 377 HE2 LYS 29 1HE LYS 29 7.709 7.657 -0.326 378 HE3 LYS 29 2HE LYS 29 8.429 9.037 0.535 379 HZ1 LYS 29 3HZ LYS 29 7.775 8.929 -2.360 380 HZ2 LYS 29 1HZ LYS 29 8.610 10.158 -1.650 381 HZ3 LYS 29 2HZ LYS 29 7.043 9.863 -1.214 382 H THR 30 H THR 30 13.856 9.427 -3.061 383 HA THR 30 HA THR 30 15.625 7.677 -4.679 384 HB THR 30 HB THR 30 17.029 9.854 -4.649 385 HG1 THR 30 HG1 THR 30 16.055 10.802 -2.825 386 HG21 THR 30 1HG2 THR 30 15.480 9.259 -6.584 387 HG22 THR 30 2HG2 THR 30 15.583 11.003 -6.298 388 HG23 THR 30 3HG2 THR 30 14.159 10.108 -5.753 389 HXT THR 30 H02 THR 30 17.851 7.072 -2.284 Start of MODEL 46 1 H1 GLY 1 3H0 GLY 1 2.146 -1.928 -1.667 2 H2 GLY 1 2H0 GLY 1 1.533 -1.838 -0.138 3 H3 GLY 1 1H0 GLY 1 0.546 -2.228 -1.401 4 HA2 GLY 1 1HA GLY 1 0.188 0.045 -0.703 5 HA3 GLY 1 2HA GLY 1 1.904 0.357 -1.029 6 H ILE 2 H ILE 2 0.161 1.970 -2.341 7 HA ILE 2 HA ILE 2 -0.970 0.909 -4.706 8 HB ILE 2 HB ILE 2 -1.577 3.075 -3.610 9 HG12 ILE 2 1HG1 ILE 2 -0.886 3.250 -6.560 10 HG13 ILE 2 2HG1 ILE 2 -2.293 2.431 -5.885 11 HG21 ILE 2 1HG2 ILE 2 0.854 4.292 -5.011 12 HG22 ILE 2 2HG2 ILE 2 -0.305 5.108 -3.945 13 HG23 ILE 2 3HG2 ILE 2 0.815 3.911 -3.274 14 HD11 ILE 2 3HD1 ILE 2 -1.703 5.415 -5.821 15 HD12 ILE 2 1HD1 ILE 2 -2.978 4.575 -6.718 16 HD13 ILE 2 2HD1 ILE 2 -3.051 4.636 -4.944 17 H VAL 3 H VAL 3 2.303 2.271 -4.202 18 HA VAL 3 HA VAL 3 2.896 2.308 -6.994 19 HB VAL 3 HB VAL 3 4.147 3.650 -5.351 20 HG11 VAL 3 1HG1 VAL 3 5.826 2.689 -3.880 21 HG12 VAL 3 2HG1 VAL 3 4.239 1.993 -3.505 22 HG13 VAL 3 3HG1 VAL 3 5.432 1.050 -4.433 23 HG21 VAL 3 3HG2 VAL 3 5.933 1.699 -6.868 24 HG22 VAL 3 1HG2 VAL 3 5.144 3.137 -7.555 25 HG23 VAL 3 2HG2 VAL 3 6.387 3.322 -6.297 26 H GLU 4 H GLU 4 3.171 -0.260 -4.532 27 HA GLU 4 HA GLU 4 4.608 -2.045 -6.298 28 HB2 GLU 4 1HB GLU 4 2.843 -2.572 -3.879 29 HB3 GLU 4 2HB GLU 4 3.660 -3.838 -4.793 30 HG2 GLU 4 1HG GLU 4 5.114 -3.467 -3.054 31 HG3 GLU 4 2HG GLU 4 5.809 -2.527 -4.383 32 HE2 GLU 4 HE2 GLU 4 6.813 -1.496 -2.797 33 H GLN 5 H GLN 5 1.166 -1.414 -5.592 34 HA GLN 5 HA GLN 5 0.088 -3.599 -6.998 35 HB2 GLN 5 1HB GLN 5 -1.090 -1.854 -5.521 36 HB3 GLN 5 2HB GLN 5 -1.112 -0.808 -6.940 37 HG2 GLN 5 1HG GLN 5 -3.235 -1.875 -6.829 38 HG3 GLN 5 2HG GLN 5 -2.357 -2.639 -8.165 39 HE21 GLN 5 2HE2 GLN 5 -3.015 -4.706 -8.213 40 HE22 GLN 5 1HE2 GLN 5 -3.064 -5.769 -6.825 41 H CYS 6 H CYS 6 1.011 -0.330 -8.170 42 HA CYS 6 HA CYS 6 0.135 -1.008 -10.869 43 HB2 CYS 6 1HB CYS 6 1.825 1.322 -9.906 44 HB3 CYS 6 2HB CYS 6 1.042 1.176 -11.481 45 H CYS 7 H CYS 7 3.187 -1.120 -9.102 46 HA CYS 7 HA CYS 7 4.837 -1.311 -11.440 47 HB2 CYS 7 1HB CYS 7 5.572 -0.706 -9.098 48 HB3 CYS 7 2HB CYS 7 5.396 -2.408 -8.663 49 H THR 8 H THR 8 3.520 -3.777 -9.164 50 HA THR 8 HA THR 8 4.635 -5.900 -10.850 51 HB THR 8 HB THR 8 4.679 -5.867 -8.290 52 HG1 THR 8 HG1 THR 8 3.745 -8.090 -9.805 53 HG21 THR 8 1HG2 THR 8 2.101 -5.445 -8.168 54 HG22 THR 8 2HG2 THR 8 2.841 -6.600 -7.045 55 HG23 THR 8 3HG2 THR 8 1.968 -7.188 -8.481 56 H SER 9 H SER 9 1.525 -4.338 -10.600 57 HA SER 9 HA SER 9 0.514 -6.427 -12.444 58 HB2 SER 9 1HB SER 9 -1.547 -6.758 -11.252 59 HB3 SER 9 2HB SER 9 -0.248 -6.952 -10.062 60 HG SER 9 HG SER 9 -0.692 -4.537 -9.726 61 H ILE 10 H ILE 10 -2.117 -5.447 -12.786 62 HA ILE 10 HA ILE 10 -1.312 -3.045 -14.340 63 HB ILE 10 HB ILE 10 -3.834 -4.739 -14.654 64 HG12 ILE 10 1HG1 ILE 10 -1.796 -6.121 -15.028 65 HG13 ILE 10 2HG1 ILE 10 -2.818 -5.938 -16.446 66 HG21 ILE 10 1HG2 ILE 10 -2.504 -2.643 -16.442 67 HG22 ILE 10 2HG2 ILE 10 -3.865 -3.682 -16.948 68 HG23 ILE 10 3HG2 ILE 10 -4.081 -2.517 -15.628 69 HD11 ILE 10 3HD1 ILE 10 -1.286 -4.427 -17.480 70 HD12 ILE 10 1HD1 ILE 10 -0.324 -4.279 -15.999 71 HD13 ILE 10 2HD1 ILE 10 -0.356 -5.812 -16.894 72 H CYS 11 H CYS 11 -1.698 -1.174 -13.267 73 HA CYS 11 HA CYS 11 -4.032 -0.899 -11.509 74 HB2 CYS 11 1HB CYS 11 -1.772 0.887 -12.395 75 HB3 CYS 11 2HB CYS 11 -3.242 1.612 -11.727 76 H SER 12 H SER 12 -5.989 -0.213 -12.093 77 HA SER 12 HA SER 12 -6.525 0.497 -14.894 78 HB2 SER 12 1HB SER 12 -8.857 0.622 -14.161 79 HB3 SER 12 2HB SER 12 -8.119 -0.865 -13.529 80 HG SER 12 HG SER 12 -9.117 0.014 -11.808 81 H LEU 13 H LEU 13 -7.888 2.576 -15.253 82 HA LEU 13 HA LEU 13 -6.324 4.807 -14.496 83 HB2 LEU 13 1HB LEU 13 -7.945 6.162 -15.571 84 HB3 LEU 13 2HB LEU 13 -7.785 4.676 -16.489 85 HG LEU 13 HG LEU 13 -9.948 4.054 -14.938 86 HD11 LEU 13 1HD1 LEU 13 -10.060 6.298 -13.917 87 HD12 LEU 13 2HD1 LEU 13 -11.458 6.018 -14.967 88 HD13 LEU 13 3HD1 LEU 13 -10.121 7.044 -15.532 89 HD21 LEU 13 3HD2 LEU 13 -11.288 4.547 -16.936 90 HD22 LEU 13 1HD2 LEU 13 -9.744 3.790 -17.373 91 HD23 LEU 13 2HD2 LEU 13 -9.965 5.545 -17.588 92 H TYR 14 H TYR 14 -9.115 3.344 -12.904 93 HA TYR 14 HA TYR 14 -9.740 5.556 -11.209 94 HB2 TYR 14 1HB TYR 14 -10.106 2.617 -10.581 95 HB3 TYR 14 2HB TYR 14 -11.064 3.979 -9.987 96 HD1 TYR 14 HD2 TYR 14 -12.372 5.363 -11.813 97 HD2 TYR 14 HD1 TYR 14 -10.768 1.427 -12.493 98 HE1 TYR 14 HE2 TYR 14 -13.908 5.066 -13.758 99 HE2 TYR 14 HE1 TYR 14 -12.291 1.152 -14.459 100 HH TYR 14 HH TYR 14 -14.614 3.672 -15.434 101 H GLN 15 H GLN 15 -7.500 2.818 -10.917 102 HA GLN 15 HA GLN 15 -6.754 3.367 -8.172 103 HB2 GLN 15 1HB GLN 15 -5.253 1.913 -10.373 104 HB3 GLN 15 2HB GLN 15 -4.852 1.911 -8.649 105 HG2 GLN 15 1HG GLN 15 -7.390 1.142 -8.444 106 HG3 GLN 15 2HG GLN 15 -7.089 0.557 -10.086 107 HE21 GLN 15 2HE2 GLN 15 -6.728 0.003 -6.774 108 HE22 GLN 15 1HE2 GLN 15 -5.652 -1.360 -6.872 109 H LEU 16 H LEU 16 -5.598 4.321 -11.392 110 HA LEU 16 HA LEU 16 -3.269 5.707 -10.508 111 HB2 LEU 16 1HB LEU 16 -4.950 5.976 -13.003 112 HB3 LEU 16 2HB LEU 16 -3.448 6.856 -12.747 113 HG LEU 16 HG LEU 16 -3.662 3.825 -12.739 114 HD11 LEU 16 1HD1 LEU 16 -4.192 4.748 -14.958 115 HD12 LEU 16 2HD1 LEU 16 -2.633 3.911 -14.958 116 HD13 LEU 16 3HD1 LEU 16 -2.682 5.690 -14.931 117 HD21 LEU 16 3HD2 LEU 16 -1.739 4.623 -11.457 118 HD22 LEU 16 1HD2 LEU 16 -1.263 5.700 -12.792 119 HD23 LEU 16 2HD2 LEU 16 -1.191 3.935 -12.990 120 H GLU 17 H GLU 17 -6.655 6.779 -10.754 121 HA GLU 17 HA GLU 17 -6.216 9.573 -10.571 122 HB2 GLU 17 1HB GLU 17 -8.442 7.794 -9.548 123 HB3 GLU 17 2HB GLU 17 -8.476 9.546 -9.351 124 HG2 GLU 17 1HG GLU 17 -8.407 9.869 -11.756 125 HG3 GLU 17 2HG GLU 17 -8.273 8.132 -12.016 126 HE2 GLU 17 HE2 GLU 17 -11.739 9.749 -11.098 127 H ASN 18 H ASN 18 -5.689 7.156 -8.091 128 HA ASN 18 HA ASN 18 -5.951 8.919 -5.828 129 HB2 ASN 18 1HB ASN 18 -4.415 6.355 -6.259 130 HB3 ASN 18 2HB ASN 18 -4.465 7.199 -4.707 131 HD21 ASN 18 2HD2 ASN 18 -6.071 5.076 -6.844 132 HD22 ASN 18 1HD2 ASN 18 -7.529 4.875 -5.892 133 H TYR 19 H TYR 19 -3.399 8.476 -8.211 134 HA TYR 19 HA TYR 19 -1.306 9.770 -6.591 135 HB2 TYR 19 1HB TYR 19 -1.570 9.077 -9.518 136 HB3 TYR 19 2HB TYR 19 -0.141 9.815 -8.833 137 HD1 TYR 19 HD1 TYR 19 1.353 8.578 -7.331 138 HD2 TYR 19 HD2 TYR 19 -2.002 6.689 -9.232 139 HE1 TYR 19 HE1 TYR 19 2.359 6.348 -6.908 140 HE2 TYR 19 HE2 TYR 19 -0.987 4.455 -8.804 141 HH TYR 19 HH TYR 19 2.196 4.110 -7.237 142 H CYS 20 H CYS 20 -4.069 10.931 -8.155 143 HA CYS 20 HA CYS 20 -2.916 13.016 -9.757 144 HB2 CYS 20 1HB CYS 20 -5.292 11.801 -9.730 145 HB3 CYS 20 2HB CYS 20 -5.727 13.215 -8.767 146 H ASN 21 H ASN 21 -3.243 15.310 -9.536 147 HA ASN 21 HA ASN 21 -2.428 16.290 -6.932 148 HB2 ASN 21 1HB ASN 21 -1.684 17.394 -9.043 149 HB3 ASN 21 2HB ASN 21 -3.358 17.798 -9.430 150 HD21 ASN 21 2HD2 ASN 21 -3.544 19.909 -9.238 151 HD22 ASN 21 1HD2 ASN 21 -3.044 20.825 -7.836 152 HXT ASN 21 H02 ASN 21 -5.292 17.046 -5.477 153 H1 PHE 1 3H0 PHE 1 -7.795 3.766 -23.197 154 H2 PHE 1 2H0 PHE 1 -6.954 2.997 -24.389 155 H3 PHE 1 1H0 PHE 1 -8.062 2.165 -23.497 156 HA PHE 1 HA PHE 1 -5.540 3.305 -22.488 157 HB2 PHE 1 1HB PHE 1 -7.632 3.239 -20.961 158 HB3 PHE 1 2HB PHE 1 -7.461 1.481 -21.010 159 HD1 PHE 1 HD1 PHE 1 -5.818 4.663 -19.964 160 HD2 PHE 1 HD2 PHE 1 -5.777 0.361 -19.685 161 HE1 PHE 1 HE1 PHE 1 -4.169 4.802 -18.102 162 HE2 PHE 1 HE2 PHE 1 -4.128 0.497 -17.821 163 HZ PHE 1 HZ PHE 1 -3.320 2.719 -17.031 164 H VAL 2 H VAL 2 -3.957 1.598 -21.860 165 HA VAL 2 HA VAL 2 -4.445 -1.007 -23.253 166 HB VAL 2 HB VAL 2 -1.862 0.651 -23.340 167 HG11 VAL 2 1HG1 VAL 2 -2.530 -2.073 -24.552 168 HG12 VAL 2 2HG1 VAL 2 -1.053 -1.142 -24.887 169 HG13 VAL 2 3HG1 VAL 2 -1.358 -1.749 -23.250 170 HG21 VAL 2 3HG2 VAL 2 -3.494 1.599 -24.887 171 HG22 VAL 2 1HG2 VAL 2 -2.269 0.716 -25.816 172 HG23 VAL 2 2HG2 VAL 2 -3.869 -0.015 -25.541 173 H ASN 3 H ASN 3 -3.876 -2.739 -21.969 174 HA ASN 3 HA ASN 3 -3.145 -2.238 -19.216 175 HB2 ASN 3 1HB ASN 3 -2.692 -4.755 -19.211 176 HB3 ASN 3 2HB ASN 3 -4.365 -4.253 -19.558 177 HD21 ASN 3 2HD2 ASN 3 -2.044 -6.382 -20.451 178 HD22 ASN 3 1HD2 ASN 3 -2.528 -6.669 -22.101 179 H GLN 4 H GLN 4 -1.244 -1.912 -18.374 180 HA GLN 4 HA GLN 4 1.100 -3.358 -19.304 181 HB2 GLN 4 1HB GLN 4 2.440 -1.256 -19.640 182 HB3 GLN 4 2HB GLN 4 1.216 -1.514 -20.891 183 HG2 GLN 4 1HG GLN 4 -0.290 0.078 -19.669 184 HG3 GLN 4 2HG GLN 4 1.039 0.416 -18.568 185 HE21 GLN 4 2HE2 GLN 4 -0.446 1.142 -21.520 186 HE22 GLN 4 1HE2 GLN 4 0.773 2.238 -22.134 187 H HIS 5 H HIS 5 2.517 -3.521 -17.576 188 HA HIS 5 HA HIS 5 1.664 -2.532 -14.972 189 HB2 HIS 5 1HB HIS 5 4.361 -3.622 -15.874 190 HB3 HIS 5 2HB HIS 5 3.852 -3.355 -14.204 191 HD1 HIS 5 HD1 HIS 5 1.158 -4.613 -14.002 192 HD2 HIS 5 HD2 HIS 5 4.204 -6.317 -16.224 193 HE1 HIS 5 HE1 HIS 5 0.589 -7.098 -14.286 194 HE2 HIS 5 HE2 HIS 5 2.480 -8.111 -15.609 195 H LEU 6 H LEU 6 2.546 -0.819 -13.779 196 HA LEU 6 HA LEU 6 4.054 1.202 -15.423 197 HB2 LEU 6 1HB LEU 6 1.677 1.599 -13.576 198 HB3 LEU 6 2HB LEU 6 2.584 2.887 -14.347 199 HG LEU 6 HG LEU 6 1.010 0.790 -15.864 200 HD11 LEU 6 1HD1 LEU 6 -0.686 2.550 -16.149 201 HD12 LEU 6 2HD1 LEU 6 0.235 3.604 -15.051 202 HD13 LEU 6 3HD1 LEU 6 -0.478 2.088 -14.450 203 HD21 LEU 6 3HD2 LEU 6 2.694 1.775 -17.277 204 HD22 LEU 6 1HD2 LEU 6 2.295 3.409 -16.689 205 HD23 LEU 6 2HD2 LEU 6 1.141 2.521 -17.693 206 H CYS 7 H CYS 7 6.017 1.239 -14.401 207 HA CYS 7 HA CYS 7 5.960 1.510 -11.420 208 HB2 CYS 7 1HB CYS 7 6.715 -0.737 -12.465 209 HB3 CYS 7 2HB CYS 7 8.192 0.122 -12.909 210 H GLY 8 H GLY 8 8.223 1.924 -14.193 211 HA2 GLY 8 1HA GLY 8 9.559 4.125 -12.786 212 HA3 GLY 8 2HA GLY 8 9.991 3.444 -14.363 213 H SER 9 H SER 9 10.089 5.257 -15.618 214 HA SER 9 HA SER 9 8.485 7.536 -15.507 215 HB2 SER 9 1HB SER 9 9.143 6.891 -18.238 216 HB3 SER 9 2HB SER 9 9.912 8.072 -17.146 217 HG SER 9 HG SER 9 11.441 6.531 -17.702 218 H HIS 10 H HIS 10 7.647 4.411 -16.852 219 HA HIS 10 HA HIS 10 5.512 5.149 -18.563 220 HB2 HIS 10 1HB HIS 10 6.269 2.736 -16.969 221 HB3 HIS 10 2HB HIS 10 4.603 2.843 -17.531 222 HD1 HIS 10 HD1 HIS 10 4.088 2.363 -19.986 223 HD2 HIS 10 HD2 HIS 10 8.195 2.647 -19.145 224 HE1 HIS 10 HE1 HIS 10 5.321 1.634 -22.069 225 HE2 HIS 10 HE2 HIS 10 7.799 1.817 -21.568 226 H LEU 11 H LEU 11 5.602 4.860 -15.004 227 HA LEU 11 HA LEU 11 2.750 4.946 -14.657 228 HB2 LEU 11 1HB LEU 11 4.407 4.180 -12.964 229 HB3 LEU 11 2HB LEU 11 5.007 5.823 -12.821 230 HG LEU 11 HG LEU 11 2.889 6.548 -11.827 231 HD11 LEU 11 1HD1 LEU 11 1.320 4.980 -12.886 232 HD12 LEU 11 2HD1 LEU 11 1.206 4.888 -11.121 233 HD13 LEU 11 3HD1 LEU 11 2.074 3.618 -12.016 234 HD21 LEU 11 3HD2 LEU 11 4.031 4.041 -10.523 235 HD22 LEU 11 1HD2 LEU 11 3.180 5.375 -9.704 236 HD23 LEU 11 2HD2 LEU 11 4.763 5.662 -10.458 237 H VAL 12 H VAL 12 5.298 7.421 -14.758 238 HA VAL 12 HA VAL 12 3.622 9.663 -14.186 239 HB VAL 12 HB VAL 12 6.213 9.496 -15.812 240 HG11 VAL 12 1HG1 VAL 12 6.528 11.847 -15.281 241 HG12 VAL 12 2HG1 VAL 12 4.991 11.624 -16.138 242 HG13 VAL 12 3HG1 VAL 12 4.999 11.877 -14.380 243 HG21 VAL 12 3HG2 VAL 12 6.557 8.556 -13.588 244 HG22 VAL 12 1HG2 VAL 12 7.306 10.160 -13.652 245 HG23 VAL 12 2HG2 VAL 12 5.742 9.945 -12.832 246 H GLU 13 H GLU 13 4.629 8.096 -17.241 247 HA GLU 13 HA GLU 13 3.404 9.979 -19.006 248 HB2 GLU 13 1HB GLU 13 4.047 7.028 -19.268 249 HB3 GLU 13 2HB GLU 13 3.448 8.002 -20.613 250 HG2 GLU 13 1HG GLU 13 5.406 9.380 -20.617 251 HG3 GLU 13 2HG GLU 13 5.959 8.724 -19.074 252 HE2 GLU 13 HE2 GLU 13 7.262 8.856 -21.396 253 H ALA 14 H ALA 14 2.145 7.124 -17.313 254 HA ALA 14 HA ALA 14 -0.371 7.083 -18.757 255 HB1 ALA 14 3HB ALA 14 0.554 5.107 -17.606 256 HB2 ALA 14 1HB ALA 14 0.396 5.937 -16.041 257 HB3 ALA 14 2HB ALA 14 -1.060 5.522 -16.980 258 H LEU 15 H LEU 15 0.791 8.546 -15.723 259 HA LEU 15 HA LEU 15 -1.788 9.370 -14.824 260 HB2 LEU 15 1HB LEU 15 1.029 10.257 -14.216 261 HB3 LEU 15 2HB LEU 15 -0.368 11.025 -13.463 262 HG LEU 15 HG LEU 15 0.154 8.047 -13.292 263 HD11 LEU 15 1HD1 LEU 15 0.834 10.189 -11.252 264 HD12 LEU 15 2HD1 LEU 15 2.012 9.299 -12.246 265 HD13 LEU 15 3HD1 LEU 15 1.024 8.432 -11.051 266 HD21 LEU 15 3HD2 LEU 15 -1.432 8.166 -11.450 267 HD22 LEU 15 1HD2 LEU 15 -2.169 8.768 -12.935 268 HD23 LEU 15 2HD2 LEU 15 -1.615 9.919 -11.700 269 H TYR 16 H TYR 16 0.458 10.867 -17.111 270 HA TYR 16 HA TYR 16 -0.747 13.465 -17.109 271 HB2 TYR 16 1HB TYR 16 0.767 11.844 -19.155 272 HB3 TYR 16 2HB TYR 16 -0.054 13.330 -19.642 273 HD1 TYR 16 HD2 TYR 16 0.440 15.486 -18.232 274 HD2 TYR 16 HD1 TYR 16 2.978 12.011 -18.284 275 HE1 TYR 16 HE2 TYR 16 2.355 16.863 -17.417 276 HE2 TYR 16 HE1 TYR 16 4.896 13.411 -17.505 277 HH TYR 16 HH TYR 16 4.562 16.888 -16.818 278 H LEU 17 H LEU 17 -1.689 10.406 -18.684 279 HA LEU 17 HA LEU 17 -3.773 11.648 -20.264 280 HB2 LEU 17 1HB LEU 17 -3.513 8.786 -19.300 281 HB3 LEU 17 2HB LEU 17 -4.602 9.373 -20.545 282 HG LEU 17 HG LEU 17 -1.570 9.428 -20.753 283 HD11 LEU 17 1HD1 LEU 17 -1.826 7.476 -22.228 284 HD12 LEU 17 2HD1 LEU 17 -3.578 7.456 -21.918 285 HD13 LEU 17 3HD1 LEU 17 -2.431 7.125 -20.596 286 HD21 LEU 17 3HD2 LEU 17 -2.640 11.092 -22.200 287 HD22 LEU 17 1HD2 LEU 17 -3.756 9.858 -22.834 288 HD23 LEU 17 2HD2 LEU 17 -2.013 9.750 -23.177 289 H VAL 18 H VAL 18 -3.676 9.973 -17.122 290 HA VAL 18 HA VAL 18 -6.544 9.895 -16.848 291 HB VAL 18 HB VAL 18 -4.332 9.568 -14.754 292 HG11 VAL 18 1HG1 VAL 18 -7.288 8.814 -14.649 293 HG12 VAL 18 2HG1 VAL 18 -6.062 8.312 -13.458 294 HG13 VAL 18 3HG1 VAL 18 -6.464 10.030 -13.644 295 HG21 VAL 18 3HG2 VAL 18 -5.854 7.537 -16.453 296 HG22 VAL 18 1HG2 VAL 18 -4.118 7.912 -16.544 297 HG23 VAL 18 2HG2 VAL 18 -4.777 7.124 -15.104 298 H CYS 19 H CYS 19 -4.001 12.055 -15.554 299 HA CYS 19 HA CYS 19 -6.061 13.638 -14.163 300 HB2 CYS 19 1HB CYS 19 -3.047 13.824 -14.333 301 HB3 CYS 19 2HB CYS 19 -4.061 14.970 -13.438 302 H GLY 20 H GLY 20 -4.582 13.638 -17.290 303 HA2 GLY 20 1HA GLY 20 -4.632 15.227 -18.955 304 HA3 GLY 20 2HA GLY 20 -6.111 15.802 -18.173 305 H GLU 21 H GLU 21 -5.965 17.907 -18.312 306 HA GLU 21 HA GLU 21 -3.528 19.401 -18.011 307 HB2 GLU 21 1HB GLU 21 -6.411 20.364 -17.839 308 HB3 GLU 21 2HB GLU 21 -4.986 21.348 -18.159 309 HG2 GLU 21 1HG GLU 21 -5.744 21.116 -20.303 310 HG3 GLU 21 2HG GLU 21 -4.703 19.690 -20.234 311 HE2 GLU 21 HE2 GLU 21 -7.930 18.831 -21.574 312 H ARG 22 H ARG 22 -5.516 18.012 -15.580 313 HA ARG 22 HA ARG 22 -5.329 20.252 -13.698 314 HB2 ARG 22 1HB ARG 22 -6.154 17.356 -13.315 315 HB3 ARG 22 2HB ARG 22 -6.141 18.563 -12.034 316 HG2 ARG 22 1HG ARG 22 -8.347 18.714 -12.631 317 HG3 ARG 22 2HG ARG 22 -7.672 19.948 -13.704 318 HD2 ARG 22 1HD ARG 22 -9.254 18.540 -14.927 319 HD3 ARG 22 2HD ARG 22 -7.615 18.272 -15.551 320 HE ARG 22 HE ARG 22 -8.186 16.406 -13.467 321 HH11 ARG 22 1HH1 ARG 22 -8.941 16.979 -16.870 322 HH12 ARG 22 2HH1 ARG 22 -9.197 15.285 -17.186 323 HH21 ARG 22 1HH2 ARG 22 -8.546 14.276 -13.945 324 HH22 ARG 22 2HH2 ARG 22 -8.958 13.777 -15.561 325 H GLY 23 H GLY 23 -3.294 17.646 -14.664 326 HA2 GLY 23 1HA GLY 23 -1.084 17.316 -14.060 327 HA3 GLY 23 2HA GLY 23 -1.233 18.600 -12.855 328 H PHE 24 H PHE 24 0.274 16.618 -12.113 329 HA PHE 24 HA PHE 24 -1.133 15.345 -9.902 330 HB2 PHE 24 1HB PHE 24 -0.508 13.065 -10.507 331 HB3 PHE 24 2HB PHE 24 -1.584 13.735 -11.728 332 HD1 PHE 24 HD1 PHE 24 -0.735 14.396 -13.950 333 HD2 PHE 24 HD2 PHE 24 1.771 12.494 -11.026 334 HE1 PHE 24 HE1 PHE 24 0.933 13.901 -15.706 335 HE2 PHE 24 HE2 PHE 24 3.432 11.966 -12.783 336 HZ PHE 24 HZ PHE 24 3.017 12.683 -15.147 337 H PHE 25 H PHE 25 0.727 13.896 -8.815 338 HA PHE 25 HA PHE 25 3.353 15.228 -9.285 339 HB2 PHE 25 1HB PHE 25 3.660 15.422 -6.852 340 HB3 PHE 25 2HB PHE 25 2.270 16.372 -7.390 341 HD1 PHE 25 HD1 PHE 25 -0.039 15.661 -6.842 342 HD2 PHE 25 HD2 PHE 25 3.382 13.480 -5.407 343 HE1 PHE 25 HE1 PHE 25 -1.492 14.470 -5.213 344 HE2 PHE 25 HE2 PHE 25 1.936 12.289 -3.764 345 HZ PHE 25 HZ PHE 25 -0.510 12.773 -3.678 346 H TYR 26 H TYR 26 5.112 13.961 -8.203 347 HA TYR 26 HA TYR 26 4.413 11.130 -7.652 348 HB2 TYR 26 1HB TYR 26 5.074 11.170 -10.035 349 HB3 TYR 26 2HB TYR 26 6.573 12.013 -9.603 350 HD1 TYR 26 HD2 TYR 26 4.712 8.809 -9.320 351 HD2 TYR 26 HD1 TYR 26 8.429 10.831 -8.545 352 HE1 TYR 26 HE2 TYR 26 5.796 6.634 -8.816 353 HE2 TYR 26 HE1 TYR 26 9.512 8.650 -8.043 354 HH TYR 26 HH TYR 26 7.805 5.544 -8.490 355 H THR 27 H THR 27 5.490 10.485 -5.868 356 HA THR 27 HA THR 27 7.355 12.392 -4.649 357 HB THR 27 HB THR 27 7.224 10.809 -2.707 358 HG1 THR 27 HG1 THR 27 6.794 8.962 -4.095 359 HG21 THR 27 1HG2 THR 27 4.897 11.262 -2.153 360 HG22 THR 27 2HG2 THR 27 4.493 11.520 -3.863 361 HG23 THR 27 3HG2 THR 27 5.560 12.668 -3.015 362 HA PRO 28 HA PRO 28 10.627 9.718 -6.291 363 HB2 PRO 28 1HB PRO 28 12.767 11.311 -5.785 364 HB3 PRO 28 2HB PRO 28 11.631 11.677 -7.123 365 HG2 PRO 28 1HG PRO 28 11.678 12.784 -4.327 366 HG3 PRO 28 2HG PRO 28 11.642 13.666 -5.888 367 HD2 PRO 28 1HD PRO 28 9.387 13.195 -4.471 368 HD3 PRO 28 2HD PRO 28 9.397 13.131 -6.270 369 H LYS 29 H LYS 29 12.740 8.868 -5.215 370 HA LYS 29 HA LYS 29 12.811 9.077 -2.298 371 HB2 LYS 29 1HB LYS 29 12.776 6.601 -2.032 372 HB3 LYS 29 2HB LYS 29 11.214 7.290 -2.415 373 HG2 LYS 29 1HG LYS 29 12.963 6.051 -4.585 374 HG3 LYS 29 2HG LYS 29 11.958 5.044 -3.545 375 HD2 LYS 29 1HD LYS 29 10.895 7.254 -5.363 376 HD3 LYS 29 2HD LYS 29 10.869 5.531 -5.726 377 HE2 LYS 29 1HE LYS 29 9.386 5.109 -3.820 378 HE3 LYS 29 2HE LYS 29 9.468 6.823 -3.349 379 HZ1 LYS 29 3HZ LYS 29 8.384 7.447 -5.340 380 HZ2 LYS 29 1HZ LYS 29 7.481 6.243 -4.665 381 HZ3 LYS 29 2HZ LYS 29 8.446 5.921 -5.968 382 H THR 30 H THR 30 14.831 8.441 -1.530 383 HA THR 30 HA THR 30 16.891 7.791 -3.597 384 HB THR 30 HB THR 30 18.435 9.408 -2.403 385 HG1 THR 30 HG1 THR 30 17.255 10.993 -1.090 386 HG21 THR 30 1HG2 THR 30 17.530 11.456 -3.417 387 HG22 THR 30 2HG2 THR 30 15.886 10.798 -3.439 388 HG23 THR 30 3HG2 THR 30 17.132 10.113 -4.500 389 HXT THR 30 H02 THR 30 16.916 8.422 -0.352 Start of MODEL 47 1 H1 GLY 1 3H0 GLY 1 2.766 -2.024 -1.322 2 H2 GLY 1 2H0 GLY 1 4.112 -2.213 -2.254 3 H3 GLY 1 1H0 GLY 1 4.241 -2.230 -0.610 4 HA2 GLY 1 1HA GLY 1 3.628 0.070 -0.444 5 HA3 GLY 1 2HA GLY 1 5.024 -0.123 -1.521 6 H ILE 2 H ILE 2 3.132 2.159 -1.604 7 HA ILE 2 HA ILE 2 1.018 1.597 -3.388 8 HB ILE 2 HB ILE 2 1.063 3.552 -1.884 9 HG12 ILE 2 1HG1 ILE 2 0.814 4.350 -4.793 10 HG13 ILE 2 2HG1 ILE 2 -0.398 3.434 -3.903 11 HG21 ILE 2 1HG2 ILE 2 2.396 5.524 -2.259 12 HG22 ILE 2 2HG2 ILE 2 3.519 4.160 -2.256 13 HG23 ILE 2 3HG2 ILE 2 3.026 4.906 -3.797 14 HD11 ILE 2 3HD1 ILE 2 0.464 6.311 -3.365 15 HD12 ILE 2 1HD1 ILE 2 -1.083 5.764 -4.041 16 HD13 ILE 2 2HD1 ILE 2 -0.675 5.389 -2.350 17 H VAL 3 H VAL 3 4.311 2.793 -4.169 18 HA VAL 3 HA VAL 3 3.715 3.033 -6.987 19 HB VAL 3 HB VAL 3 6.435 2.614 -5.663 20 HG11 VAL 3 1HG1 VAL 3 5.683 4.020 -8.268 21 HG12 VAL 3 2HG1 VAL 3 7.326 3.778 -7.624 22 HG13 VAL 3 3HG1 VAL 3 6.370 2.383 -8.164 23 HG21 VAL 3 3HG2 VAL 3 6.573 5.126 -5.633 24 HG22 VAL 3 1HG2 VAL 3 4.853 5.186 -6.082 25 HG23 VAL 3 2HG2 VAL 3 5.349 4.473 -4.526 26 H GLU 4 H GLU 4 5.116 0.570 -4.886 27 HA GLU 4 HA GLU 4 6.043 -1.263 -6.809 28 HB2 GLU 4 1HB GLU 4 6.463 -1.247 -4.327 29 HB3 GLU 4 2HB GLU 4 4.818 -1.834 -4.096 30 HG2 GLU 4 1HG GLU 4 5.405 -3.874 -5.407 31 HG3 GLU 4 2HG GLU 4 7.078 -3.295 -5.473 32 HE2 GLU 4 HE2 GLU 4 7.164 -5.400 -2.734 33 H GLN 5 H GLN 5 2.802 -0.903 -5.319 34 HA GLN 5 HA GLN 5 1.663 -3.254 -6.415 35 HB2 GLN 5 1HB GLN 5 0.818 -0.888 -4.996 36 HB3 GLN 5 2HB GLN 5 -0.315 -1.205 -6.309 37 HG2 GLN 5 1HG GLN 5 -1.021 -2.288 -4.216 38 HG3 GLN 5 2HG GLN 5 -0.700 -3.469 -5.492 39 HE21 GLN 5 2HE2 GLN 5 0.003 -5.253 -4.530 40 HE22 GLN 5 1HE2 GLN 5 1.273 -5.330 -3.336 41 H CYS 6 H CYS 6 1.981 0.042 -7.796 42 HA CYS 6 HA CYS 6 0.439 -0.675 -10.154 43 HB2 CYS 6 1HB CYS 6 1.126 1.675 -8.971 44 HB3 CYS 6 2HB CYS 6 2.324 1.619 -10.274 45 H CYS 7 H CYS 7 3.820 -0.809 -9.213 46 HA CYS 7 HA CYS 7 4.864 -1.148 -11.877 47 HB2 CYS 7 1HB CYS 7 5.926 -1.948 -9.148 48 HB3 CYS 7 2HB CYS 7 6.821 -2.181 -10.651 49 H THR 8 H THR 8 3.753 -3.411 -9.316 50 HA THR 8 HA THR 8 4.448 -5.700 -11.017 51 HB THR 8 HB THR 8 4.839 -5.655 -8.516 52 HG1 THR 8 HG1 THR 8 4.187 -7.853 -8.327 53 HG21 THR 8 1HG2 THR 8 3.065 -6.107 -6.998 54 HG22 THR 8 2HG2 THR 8 1.894 -6.339 -8.311 55 HG23 THR 8 3HG2 THR 8 2.531 -4.717 -7.961 56 H SER 9 H SER 9 1.516 -3.862 -10.350 57 HA SER 9 HA SER 9 0.073 -5.868 -12.020 58 HB2 SER 9 1HB SER 9 -0.965 -4.620 -9.431 59 HB3 SER 9 2HB SER 9 -1.906 -5.652 -10.528 60 HG SER 9 HG SER 9 0.372 -6.908 -9.991 61 H ILE 10 H ILE 10 -1.968 -4.998 -12.959 62 HA ILE 10 HA ILE 10 -1.269 -2.401 -14.106 63 HB ILE 10 HB ILE 10 -3.606 -4.316 -14.635 64 HG12 ILE 10 1HG1 ILE 10 -1.979 -3.833 -16.920 65 HG13 ILE 10 2HG1 ILE 10 -0.871 -4.112 -15.594 66 HG21 ILE 10 1HG2 ILE 10 -4.331 -2.023 -15.145 67 HG22 ILE 10 2HG2 ILE 10 -2.838 -1.728 -16.069 68 HG23 ILE 10 3HG2 ILE 10 -4.044 -2.909 -16.643 69 HD11 ILE 10 3HD1 ILE 10 -3.046 -5.978 -16.585 70 HD12 ILE 10 1HD1 ILE 10 -1.281 -6.192 -16.728 71 HD13 ILE 10 2HD1 ILE 10 -2.064 -6.275 -15.131 72 H CYS 11 H CYS 11 -1.816 -0.534 -13.236 73 HA CYS 11 HA CYS 11 -4.160 -0.311 -11.461 74 HB2 CYS 11 1HB CYS 11 -2.283 1.784 -12.628 75 HB3 CYS 11 2HB CYS 11 -3.543 2.097 -11.436 76 H SER 12 H SER 12 -6.165 0.157 -12.257 77 HA SER 12 HA SER 12 -6.525 0.744 -15.111 78 HB2 SER 12 1HB SER 12 -8.906 0.866 -14.537 79 HB3 SER 12 2HB SER 12 -8.198 -0.581 -13.786 80 HG SER 12 HG SER 12 -9.356 0.412 -12.204 81 H LEU 13 H LEU 13 -7.861 2.844 -15.612 82 HA LEU 13 HA LEU 13 -6.341 5.076 -14.768 83 HB2 LEU 13 1HB LEU 13 -7.892 6.433 -15.948 84 HB3 LEU 13 2HB LEU 13 -7.658 4.947 -16.851 85 HG LEU 13 HG LEU 13 -9.925 4.315 -15.463 86 HD11 LEU 13 1HD1 LEU 13 -10.110 6.560 -14.451 87 HD12 LEU 13 2HD1 LEU 13 -11.431 6.281 -15.598 88 HD13 LEU 13 3HD1 LEU 13 -10.056 7.308 -16.064 89 HD21 LEU 13 3HD2 LEU 13 -9.540 4.056 -17.877 90 HD22 LEU 13 1HD2 LEU 13 -9.750 5.811 -18.108 91 HD23 LEU 13 2HD2 LEU 13 -11.115 4.810 -17.555 92 H TYR 14 H TYR 14 -9.234 3.616 -13.361 93 HA TYR 14 HA TYR 14 -9.918 5.827 -11.675 94 HB2 TYR 14 1HB TYR 14 -10.422 2.890 -11.123 95 HB3 TYR 14 2HB TYR 14 -11.381 4.276 -10.584 96 HD1 TYR 14 HD1 TYR 14 -12.595 5.671 -12.416 97 HD2 TYR 14 HD2 TYR 14 -10.898 1.790 -13.166 98 HE1 TYR 14 HE1 TYR 14 -13.982 5.457 -14.482 99 HE2 TYR 14 HE2 TYR 14 -12.280 1.591 -15.240 100 HH TYR 14 HH TYR 14 -14.540 4.143 -16.275 101 H GLN 15 H GLN 15 -7.807 2.981 -11.262 102 HA GLN 15 HA GLN 15 -7.230 3.512 -8.476 103 HB2 GLN 15 1HB GLN 15 -5.643 1.993 -10.574 104 HB3 GLN 15 2HB GLN 15 -5.326 1.965 -8.838 105 HG2 GLN 15 1HG GLN 15 -7.867 0.980 -10.181 106 HG3 GLN 15 2HG GLN 15 -6.532 -0.032 -9.625 107 HE21 GLN 15 2HE2 GLN 15 -6.282 -0.439 -7.417 108 HE22 GLN 15 1HE2 GLN 15 -7.512 -0.005 -6.255 109 H LEU 16 H LEU 16 -5.815 4.394 -11.594 110 HA LEU 16 HA LEU 16 -3.491 5.688 -10.573 111 HB2 LEU 16 1HB LEU 16 -5.026 5.968 -13.143 112 HB3 LEU 16 2HB LEU 16 -3.610 6.957 -12.797 113 HG LEU 16 HG LEU 16 -3.595 3.922 -12.810 114 HD11 LEU 16 1HD1 LEU 16 -4.081 4.762 -15.042 115 HD12 LEU 16 2HD1 LEU 16 -2.435 4.110 -14.964 116 HD13 LEU 16 3HD1 LEU 16 -2.690 5.872 -14.948 117 HD21 LEU 16 3HD2 LEU 16 -1.323 5.956 -12.769 118 HD22 LEU 16 1HD2 LEU 16 -1.124 4.201 -12.953 119 HD23 LEU 16 2HD2 LEU 16 -1.778 4.860 -11.446 120 H GLU 17 H GLU 17 -6.840 6.870 -10.881 121 HA GLU 17 HA GLU 17 -6.259 9.640 -10.578 122 HB2 GLU 17 1HB GLU 17 -8.635 7.973 -9.727 123 HB3 GLU 17 2HB GLU 17 -8.546 9.712 -9.442 124 HG2 GLU 17 1HG GLU 17 -8.254 10.093 -11.863 125 HG3 GLU 17 2HG GLU 17 -8.443 8.361 -12.144 126 HE2 GLU 17 HE2 GLU 17 -11.805 8.434 -11.284 127 H ASN 18 H ASN 18 -6.057 7.061 -8.173 128 HA ASN 18 HA ASN 18 -6.212 8.741 -5.849 129 HB2 ASN 18 1HB ASN 18 -4.747 6.125 -6.334 130 HB3 ASN 18 2HB ASN 18 -4.856 6.918 -4.757 131 HD21 ASN 18 2HD2 ASN 18 -6.269 4.696 -6.799 132 HD22 ASN 18 1HD2 ASN 18 -7.830 4.585 -6.012 133 H TYR 19 H TYR 19 -3.695 8.209 -8.210 134 HA TYR 19 HA TYR 19 -1.539 9.353 -6.546 135 HB2 TYR 19 1HB TYR 19 -1.671 8.551 -9.441 136 HB3 TYR 19 2HB TYR 19 -0.213 9.043 -8.600 137 HD1 TYR 19 HD1 TYR 19 -2.876 6.422 -8.727 138 HD2 TYR 19 HD2 TYR 19 1.049 7.468 -7.349 139 HE1 TYR 19 HE1 TYR 19 -2.485 4.078 -8.100 140 HE2 TYR 19 HE2 TYR 19 1.443 5.114 -6.733 141 HH TYR 19 HH TYR 19 0.534 2.920 -6.647 142 H CYS 20 H CYS 20 -4.158 10.591 -8.240 143 HA CYS 20 HA CYS 20 -2.606 12.788 -9.525 144 HB2 CYS 20 1HB CYS 20 -3.280 11.862 -11.435 145 HB3 CYS 20 2HB CYS 20 -4.352 10.753 -10.593 146 H ASN 21 H ASN 21 -3.063 14.764 -9.043 147 HA ASN 21 HA ASN 21 -5.735 15.700 -8.509 148 HB2 ASN 21 1HB ASN 21 -4.910 14.730 -6.225 149 HB3 ASN 21 2HB ASN 21 -3.758 16.070 -6.205 150 HD21 ASN 21 2HD2 ASN 21 -5.402 16.091 -4.169 151 HD22 ASN 21 1HD2 ASN 21 -6.698 17.238 -4.374 152 HXT ASN 21 H02 ASN 21 -5.733 17.792 -8.302 153 H1 PHE 1 3H0 PHE 1 -7.433 4.983 -22.838 154 H2 PHE 1 2H0 PHE 1 -6.966 3.901 -23.995 155 H3 PHE 1 1H0 PHE 1 -8.205 3.532 -22.972 156 HA PHE 1 HA PHE 1 -5.382 3.885 -22.207 157 HB2 PHE 1 1HB PHE 1 -7.250 4.605 -20.571 158 HB3 PHE 1 2HB PHE 1 -7.662 2.890 -20.470 159 HD1 PHE 1 HD2 PHE 1 -5.085 5.455 -19.713 160 HD2 PHE 1 HD1 PHE 1 -6.248 1.332 -19.236 161 HE1 PHE 1 HE2 PHE 1 -3.320 5.160 -17.985 162 HE2 PHE 1 HE1 PHE 1 -4.487 1.035 -17.500 163 HZ PHE 1 HZ PHE 1 -3.009 2.942 -16.889 164 H VAL 2 H VAL 2 -4.288 1.860 -21.680 165 HA VAL 2 HA VAL 2 -5.743 -0.601 -22.456 166 HB VAL 2 HB VAL 2 -4.553 0.236 -24.518 167 HG11 VAL 2 1HG1 VAL 2 -1.994 -0.274 -22.945 168 HG12 VAL 2 2HG1 VAL 2 -2.117 0.205 -24.652 169 HG13 VAL 2 3HG1 VAL 2 -2.623 1.334 -23.381 170 HG21 VAL 2 3HG2 VAL 2 -3.517 -1.884 -25.112 171 HG22 VAL 2 1HG2 VAL 2 -3.358 -2.336 -23.399 172 HG23 VAL 2 2HG2 VAL 2 -4.970 -2.190 -24.140 173 H ASN 3 H ASN 3 -4.968 -2.444 -21.352 174 HA ASN 3 HA ASN 3 -3.797 -1.870 -18.800 175 HB2 ASN 3 1HB ASN 3 -3.501 -4.417 -18.717 176 HB3 ASN 3 2HB ASN 3 -5.166 -3.794 -18.829 177 HD21 ASN 3 2HD2 ASN 3 -3.125 -6.109 -19.992 178 HD22 ASN 3 1HD2 ASN 3 -3.914 -6.435 -21.514 179 H GLN 4 H GLN 4 -1.813 -1.646 -18.184 180 HA GLN 4 HA GLN 4 0.265 -3.422 -19.132 181 HB2 GLN 4 1HB GLN 4 1.832 -1.518 -19.688 182 HB3 GLN 4 2HB GLN 4 0.546 -1.751 -20.877 183 HG2 GLN 4 1HG GLN 4 -0.722 0.119 -19.865 184 HG3 GLN 4 2HG GLN 4 0.584 0.371 -18.712 185 HE21 GLN 4 2HE2 GLN 4 -0.454 0.690 -22.017 186 HE22 GLN 4 1HE2 GLN 4 0.858 1.723 -22.532 187 H HIS 5 H HIS 5 1.877 -3.470 -17.504 188 HA HIS 5 HA HIS 5 1.151 -2.334 -14.914 189 HB2 HIS 5 1HB HIS 5 3.749 -3.604 -15.866 190 HB3 HIS 5 2HB HIS 5 3.333 -3.219 -14.194 191 HD1 HIS 5 HD1 HIS 5 0.597 -4.313 -13.801 192 HD2 HIS 5 HD2 HIS 5 3.417 -6.308 -16.075 193 HE1 HIS 5 HE1 HIS 5 -0.132 -6.753 -13.911 194 HE2 HIS 5 HE2 HIS 5 1.628 -7.958 -15.262 195 H LEU 6 H LEU 6 2.198 -0.613 -13.810 196 HA LEU 6 HA LEU 6 3.612 1.268 -15.675 197 HB2 LEU 6 1HB LEU 6 1.534 1.726 -13.536 198 HB3 LEU 6 2HB LEU 6 2.589 2.988 -14.083 199 HG LEU 6 HG LEU 6 0.863 3.564 -15.321 200 HD11 LEU 6 1HD1 LEU 6 0.795 2.685 -17.603 201 HD12 LEU 6 2HD1 LEU 6 1.758 1.281 -17.111 202 HD13 LEU 6 3HD1 LEU 6 2.463 2.909 -17.060 203 HD21 LEU 6 3HD2 LEU 6 -0.070 0.686 -15.320 204 HD22 LEU 6 1HD2 LEU 6 -0.956 2.045 -16.044 205 HD23 LEU 6 2HD2 LEU 6 -0.663 2.009 -14.295 206 H CYS 7 H CYS 7 5.674 1.290 -15.140 207 HA CYS 7 HA CYS 7 6.340 2.004 -12.338 208 HB2 CYS 7 1HB CYS 7 6.638 -0.558 -13.037 209 HB3 CYS 7 2HB CYS 7 8.103 0.059 -13.807 210 H GLY 8 H GLY 8 8.390 3.168 -12.213 211 HA2 GLY 8 1HA GLY 8 9.956 4.666 -13.032 212 HA3 GLY 8 2HA GLY 8 10.003 3.678 -14.504 213 H SER 9 H SER 9 10.080 5.358 -15.982 214 HA SER 9 HA SER 9 8.477 7.673 -15.935 215 HB2 SER 9 1HB SER 9 9.009 6.802 -18.633 216 HB3 SER 9 2HB SER 9 9.788 8.100 -17.695 217 HG SER 9 HG SER 9 11.358 6.595 -18.165 218 H HIS 10 H HIS 10 7.645 4.392 -16.991 219 HA HIS 10 HA HIS 10 5.440 5.104 -18.673 220 HB2 HIS 10 1HB HIS 10 6.394 2.671 -17.285 221 HB3 HIS 10 2HB HIS 10 4.655 2.729 -17.554 222 HD1 HIS 10 HD1 HIS 10 3.788 2.191 -19.892 223 HD2 HIS 10 HD2 HIS 10 7.946 2.813 -19.765 224 HE1 HIS 10 HE1 HIS 10 4.703 1.564 -22.166 225 HE2 HIS 10 HE2 HIS 10 7.208 1.939 -22.087 226 H LEU 11 H LEU 11 5.750 4.904 -15.143 227 HA LEU 11 HA LEU 11 2.919 4.885 -14.640 228 HB2 LEU 11 1HB LEU 11 4.588 4.198 -12.975 229 HB3 LEU 11 2HB LEU 11 5.250 5.825 -12.941 230 HG LEU 11 HG LEU 11 3.253 6.695 -11.879 231 HD11 LEU 11 1HD1 LEU 11 1.511 5.250 -12.830 232 HD12 LEU 11 2HD1 LEU 11 1.462 5.208 -11.060 233 HD13 LEU 11 3HD1 LEU 11 2.181 3.849 -11.955 234 HD21 LEU 11 3HD2 LEU 11 3.498 5.531 -9.732 235 HD22 LEU 11 1HD2 LEU 11 5.076 5.733 -10.523 236 HD23 LEU 11 2HD2 LEU 11 4.263 4.145 -10.553 237 H VAL 12 H VAL 12 5.322 7.575 -14.741 238 HA VAL 12 HA VAL 12 3.250 9.487 -14.147 239 HB VAL 12 HB VAL 12 4.914 11.230 -14.666 240 HG11 VAL 12 1HG1 VAL 12 6.143 8.957 -13.044 241 HG12 VAL 12 2HG1 VAL 12 6.494 10.694 -12.891 242 HG13 VAL 12 3HG1 VAL 12 4.892 10.073 -12.447 243 HG21 VAL 12 3HG2 VAL 12 7.198 10.683 -15.329 244 HG22 VAL 12 1HG2 VAL 12 6.773 8.966 -15.465 245 HG23 VAL 12 2HG2 VAL 12 6.058 10.155 -16.579 246 H GLU 13 H GLU 13 4.522 8.115 -17.152 247 HA GLU 13 HA GLU 13 3.296 10.021 -18.918 248 HB2 GLU 13 1HB GLU 13 4.080 7.110 -19.213 249 HB3 GLU 13 2HB GLU 13 3.314 8.013 -20.527 250 HG2 GLU 13 1HG GLU 13 5.139 9.623 -20.554 251 HG3 GLU 13 2HG GLU 13 5.910 8.823 -19.181 252 HE2 GLU 13 HE2 GLU 13 6.884 6.112 -21.105 253 H ALA 14 H ALA 14 2.099 7.010 -17.380 254 HA ALA 14 HA ALA 14 -0.431 7.053 -18.741 255 HB1 ALA 14 3HB ALA 14 -1.115 5.471 -16.988 256 HB2 ALA 14 1HB ALA 14 0.495 5.058 -17.622 257 HB3 ALA 14 2HB ALA 14 0.342 5.870 -16.046 258 H LEU 15 H LEU 15 0.779 8.463 -15.692 259 HA LEU 15 HA LEU 15 -1.778 9.318 -14.761 260 HB2 LEU 15 1HB LEU 15 1.053 10.170 -14.161 261 HB3 LEU 15 2HB LEU 15 -0.332 10.946 -13.393 262 HG LEU 15 HG LEU 15 0.132 7.957 -13.264 263 HD11 LEU 15 1HD1 LEU 15 1.035 8.295 -11.017 264 HD12 LEU 15 2HD1 LEU 15 0.912 10.060 -11.206 265 HD13 LEU 15 3HD1 LEU 15 2.043 9.127 -12.219 266 HD21 LEU 15 3HD2 LEU 15 -1.513 9.828 -11.528 267 HD22 LEU 15 1HD2 LEU 15 -1.446 8.052 -11.443 268 HD23 LEU 15 2HD2 LEU 15 -2.176 8.836 -12.843 269 H TYR 16 H TYR 16 0.509 10.854 -17.005 270 HA TYR 16 HA TYR 16 -0.725 13.445 -16.987 271 HB2 TYR 16 1HB TYR 16 0.847 11.885 -19.052 272 HB3 TYR 16 2HB TYR 16 0.053 13.400 -19.487 273 HD1 TYR 16 HD1 TYR 16 0.547 15.485 -17.966 274 HD2 TYR 16 HD2 TYR 16 3.046 11.986 -18.140 275 HE1 TYR 16 HE1 TYR 16 2.459 16.793 -17.037 276 HE2 TYR 16 HE2 TYR 16 4.947 13.302 -17.203 277 HH TYR 16 HH TYR 16 5.657 15.340 -16.436 278 H LEU 17 H LEU 17 -1.562 10.399 -18.649 279 HA LEU 17 HA LEU 17 -3.616 11.632 -20.270 280 HB2 LEU 17 1HB LEU 17 -3.334 8.758 -19.359 281 HB3 LEU 17 2HB LEU 17 -4.396 9.352 -20.623 282 HG LEU 17 HG LEU 17 -1.362 9.464 -20.738 283 HD11 LEU 17 1HD1 LEU 17 -3.297 7.499 -22.024 284 HD12 LEU 17 2HD1 LEU 17 -2.194 7.145 -20.671 285 HD13 LEU 17 3HD1 LEU 17 -1.535 7.553 -22.269 286 HD21 LEU 17 3HD2 LEU 17 -2.409 11.152 -22.170 287 HD22 LEU 17 1HD2 LEU 17 -3.489 9.925 -22.870 288 HD23 LEU 17 2HD2 LEU 17 -1.735 9.848 -23.164 289 H VAL 18 H VAL 18 -3.591 9.982 -17.116 290 HA VAL 18 HA VAL 18 -6.481 9.854 -16.959 291 HB VAL 18 HB VAL 18 -4.323 9.490 -14.827 292 HG11 VAL 18 1HG1 VAL 18 -6.092 8.289 -13.544 293 HG12 VAL 18 2HG1 VAL 18 -6.444 10.014 -13.730 294 HG13 VAL 18 3HG1 VAL 18 -7.297 8.822 -14.740 295 HG21 VAL 18 3HG2 VAL 18 -4.144 7.851 -16.601 296 HG22 VAL 18 1HG2 VAL 18 -4.856 7.070 -15.187 297 HG23 VAL 18 2HG2 VAL 18 -5.888 7.536 -16.553 298 H CYS 19 H CYS 19 -3.999 12.010 -15.530 299 HA CYS 19 HA CYS 19 -6.158 13.518 -14.217 300 HB2 CYS 19 1HB CYS 19 -3.454 13.104 -13.664 301 HB3 CYS 19 2HB CYS 19 -3.559 14.800 -14.165 302 H GLY 20 H GLY 20 -4.551 13.543 -17.274 303 HA2 GLY 20 1HA GLY 20 -4.811 15.008 -19.033 304 HA3 GLY 20 2HA GLY 20 -6.080 15.834 -18.106 305 H GLU 21 H GLU 21 -5.340 17.847 -18.806 306 HA GLU 21 HA GLU 21 -2.669 18.781 -18.518 307 HB2 GLU 21 1HB GLU 21 -4.657 19.615 -19.939 308 HB3 GLU 21 2HB GLU 21 -5.152 20.513 -18.501 309 HG2 GLU 21 1HG GLU 21 -2.995 21.732 -18.536 310 HG3 GLU 21 2HG GLU 21 -2.487 20.794 -19.947 311 HE2 GLU 21 HE2 GLU 21 -3.667 23.774 -21.301 312 H ARG 22 H ARG 22 -4.876 18.120 -16.017 313 HA ARG 22 HA ARG 22 -4.438 20.376 -14.290 314 HB2 ARG 22 1HB ARG 22 -5.133 17.486 -13.677 315 HB3 ARG 22 2HB ARG 22 -5.136 18.787 -12.484 316 HG2 ARG 22 1HG ARG 22 -6.879 19.971 -13.736 317 HG3 ARG 22 2HG ARG 22 -6.899 18.677 -14.954 318 HD2 ARG 22 1HD ARG 22 -7.405 18.205 -11.999 319 HD3 ARG 22 2HD ARG 22 -8.696 18.533 -13.173 320 HE ARG 22 HE ARG 22 -7.156 16.426 -14.229 321 HH11 ARG 22 1HH1 ARG 22 -9.184 16.918 -11.373 322 HH12 ARG 22 2HH1 ARG 22 -9.647 15.239 -11.298 323 HH21 ARG 22 1HH2 ARG 22 -7.828 14.309 -14.085 324 HH22 ARG 22 2HH2 ARG 22 -8.883 13.792 -12.799 325 H GLY 23 H GLY 23 -2.475 17.565 -15.014 326 HA2 GLY 23 1HA GLY 23 -0.266 17.174 -14.282 327 HA3 GLY 23 2HA GLY 23 -0.415 18.516 -13.120 328 H PHE 24 H PHE 24 0.663 16.473 -11.900 329 HA PHE 24 HA PHE 24 -1.379 15.376 -10.132 330 HB2 PHE 24 1HB PHE 24 -0.745 13.001 -10.599 331 HB3 PHE 24 2HB PHE 24 -1.616 13.762 -11.931 332 HD1 PHE 24 HD2 PHE 24 1.662 12.516 -10.792 333 HD2 PHE 24 HD1 PHE 24 -0.565 14.201 -14.049 334 HE1 PHE 24 HE2 PHE 24 3.503 11.945 -12.328 335 HE2 PHE 24 HE1 PHE 24 1.273 13.634 -15.594 336 HZ PHE 24 HZ PHE 24 3.324 12.529 -14.758 337 H PHE 25 H PHE 25 0.075 13.532 -8.783 338 HA PHE 25 HA PHE 25 2.696 14.865 -8.260 339 HB2 PHE 25 1HB PHE 25 2.311 14.533 -5.860 340 HB3 PHE 25 2HB PHE 25 1.078 15.579 -6.566 341 HD1 PHE 25 HD2 PHE 25 1.750 12.251 -5.094 342 HD2 PHE 25 HD1 PHE 25 -1.257 14.872 -6.712 343 HE1 PHE 25 HE2 PHE 25 -0.028 10.778 -4.164 344 HE2 PHE 25 HE1 PHE 25 -3.041 13.398 -5.782 345 HZ PHE 25 HZ PHE 25 -2.428 11.364 -4.490 346 H TYR 26 H TYR 26 4.119 13.402 -6.878 347 HA TYR 26 HA TYR 26 3.587 10.521 -7.347 348 HB2 TYR 26 1HB TYR 26 4.939 11.198 -9.271 349 HB3 TYR 26 2HB TYR 26 6.103 12.003 -8.207 350 HD1 TYR 26 HD2 TYR 26 4.522 8.603 -8.704 351 HD2 TYR 26 HD1 TYR 26 8.036 10.824 -7.571 352 HE1 TYR 26 HE2 TYR 26 5.793 6.473 -8.421 353 HE2 TYR 26 HE1 TYR 26 9.297 8.686 -7.326 354 HH TYR 26 HH TYR 26 7.776 5.509 -7.874 355 H THR 27 H THR 27 4.582 9.211 -5.812 356 HA THR 27 HA THR 27 5.741 10.676 -3.495 357 HB THR 27 HB THR 27 3.796 9.882 -2.585 358 HG1 THR 27 HG1 THR 27 5.446 8.898 -1.405 359 HG21 THR 27 1HG2 THR 27 2.831 7.643 -3.175 360 HG22 THR 27 2HG2 THR 27 4.059 7.520 -4.456 361 HG23 THR 27 3HG2 THR 27 2.843 8.824 -4.498 362 HA PRO 28 HA PRO 28 9.115 7.927 -4.850 363 HB2 PRO 28 1HB PRO 28 11.179 9.538 -4.147 364 HB3 PRO 28 2HB PRO 28 10.158 9.905 -5.573 365 HG2 PRO 28 1HG PRO 28 10.044 11.047 -2.812 366 HG3 PRO 28 2HG PRO 28 9.978 11.886 -4.389 367 HD2 PRO 28 1HD PRO 28 7.758 11.232 -2.869 368 HD3 PRO 28 2HD PRO 28 7.708 11.416 -4.656 369 H LYS 29 H LYS 29 11.142 7.129 -3.575 370 HA LYS 29 HA LYS 29 10.274 6.403 -0.852 371 HB2 LYS 29 1HB LYS 29 12.809 5.716 -2.392 372 HB3 LYS 29 2HB LYS 29 12.363 5.078 -0.803 373 HG2 LYS 29 1HG LYS 29 10.263 4.152 -1.934 374 HG3 LYS 29 2HG LYS 29 11.054 4.531 -3.474 375 HD2 LYS 29 1HD LYS 29 12.215 2.729 -1.288 376 HD3 LYS 29 2HD LYS 29 11.386 2.160 -2.742 377 HE2 LYS 29 1HE LYS 29 13.571 1.953 -3.440 378 HE3 LYS 29 2HE LYS 29 13.234 3.595 -4.003 379 HZ1 LYS 29 3HZ LYS 29 15.364 3.459 -2.853 380 HZ2 LYS 29 1HZ LYS 29 14.651 2.891 -1.479 381 HZ3 LYS 29 2HZ LYS 29 14.345 4.428 -1.991 382 H THR 30 H THR 30 10.331 8.504 0.095 383 HA THR 30 HA THR 30 12.722 10.115 0.087 384 HB THR 30 HB THR 30 11.478 11.341 1.947 385 HG1 THR 30 HG1 THR 30 10.422 9.395 2.719 386 HG21 THR 30 1HG2 THR 30 9.738 10.631 -0.502 387 HG22 THR 30 2HG2 THR 30 11.031 11.848 -0.512 388 HG23 THR 30 3HG2 THR 30 9.600 12.078 0.505 389 HXT THR 30 H02 THR 30 14.429 9.142 2.770 Start of MODEL 48 1 H1 GLY 1 3H0 GLY 1 2.163 -1.138 -1.177 2 H2 GLY 1 2H0 GLY 1 3.641 -0.834 -1.843 3 H3 GLY 1 1H0 GLY 1 3.379 -0.528 -0.242 4 HA2 GLY 1 1HA GLY 1 1.819 1.202 -0.747 5 HA3 GLY 1 2HA GLY 1 3.398 1.513 -1.498 6 H ILE 2 H ILE 2 1.254 2.834 -2.571 7 HA ILE 2 HA ILE 2 -0.216 1.348 -4.493 8 HB ILE 2 HB ILE 2 -0.820 3.605 -3.539 9 HG12 ILE 2 1HG1 ILE 2 -0.833 3.417 -6.568 10 HG13 ILE 2 2HG1 ILE 2 -1.940 2.569 -5.492 11 HG21 ILE 2 1HG2 ILE 2 0.095 5.663 -4.502 12 HG22 ILE 2 2HG2 ILE 2 1.422 4.709 -3.829 13 HG23 ILE 2 3HG2 ILE 2 1.152 4.740 -5.586 14 HD11 ILE 2 3HD1 ILE 2 -2.762 4.816 -4.663 15 HD12 ILE 2 1HD1 ILE 2 -1.744 5.594 -5.906 16 HD13 ILE 2 2HD1 ILE 2 -3.073 4.519 -6.388 17 H VAL 3 H VAL 3 3.006 2.837 -4.721 18 HA VAL 3 HA VAL 3 3.167 2.758 -7.566 19 HB VAL 3 HB VAL 3 5.439 2.476 -5.548 20 HG11 VAL 3 1HG1 VAL 3 6.158 1.791 -7.797 21 HG12 VAL 3 2HG1 VAL 3 5.417 3.234 -8.514 22 HG13 VAL 3 3HG1 VAL 3 6.833 3.396 -7.441 23 HG21 VAL 3 3HG2 VAL 3 4.219 4.941 -6.872 24 HG22 VAL 3 1HG2 VAL 3 4.174 4.539 -5.140 25 HG23 VAL 3 2HG2 VAL 3 5.719 4.941 -5.916 26 H GLU 4 H GLU 4 3.980 0.327 -5.050 27 HA GLU 4 HA GLU 4 5.013 -1.600 -6.917 28 HB2 GLU 4 1HB GLU 4 3.745 -1.898 -4.171 29 HB3 GLU 4 2HB GLU 4 4.346 -3.265 -5.110 30 HG2 GLU 4 1HG GLU 4 6.086 -2.742 -3.649 31 HG3 GLU 4 2HG GLU 4 6.576 -2.083 -5.216 32 HE2 GLU 4 HE2 GLU 4 7.322 0.720 -3.496 33 H GLN 5 H GLN 5 1.768 -0.924 -5.609 34 HA GLN 5 HA GLN 5 0.424 -3.164 -6.659 35 HB2 GLN 5 1HB GLN 5 -0.406 -1.432 -5.029 36 HB3 GLN 5 2HB GLN 5 -0.629 -0.329 -6.385 37 HG2 GLN 5 1HG GLN 5 -2.261 -1.876 -7.381 38 HG3 GLN 5 2HG GLN 5 -2.056 -2.964 -5.994 39 HE21 GLN 5 2HE2 GLN 5 -4.294 -1.107 -7.131 40 HE22 GLN 5 1HE2 GLN 5 -4.846 -0.275 -5.693 41 H CYS 6 H CYS 6 1.204 -0.026 -8.214 42 HA CYS 6 HA CYS 6 -0.191 -0.912 -10.658 43 HB2 CYS 6 1HB CYS 6 1.355 1.638 -10.115 44 HB3 CYS 6 2HB CYS 6 0.268 1.318 -11.476 45 H CYS 7 H CYS 7 2.952 -1.223 -9.402 46 HA CYS 7 HA CYS 7 4.204 -1.246 -12.072 47 HB2 CYS 7 1HB CYS 7 5.424 -0.240 -10.223 48 HB3 CYS 7 2HB CYS 7 5.338 -1.749 -9.312 49 H THR 8 H THR 8 3.447 -3.540 -9.390 50 HA THR 8 HA THR 8 4.388 -5.762 -11.081 51 HB THR 8 HB THR 8 4.818 -5.629 -8.565 52 HG1 THR 8 HG1 THR 8 4.413 -7.924 -8.379 53 HG21 THR 8 1HG2 THR 8 3.178 -6.216 -7.013 54 HG22 THR 8 2HG2 THR 8 2.074 -6.849 -8.263 55 HG23 THR 8 3HG2 THR 8 2.310 -5.101 -8.077 56 H SER 9 H SER 9 1.408 -4.141 -10.322 57 HA SER 9 HA SER 9 0.057 -6.128 -12.074 58 HB2 SER 9 1HB SER 9 -1.167 -4.836 -9.571 59 HB3 SER 9 2HB SER 9 -2.026 -5.884 -10.716 60 HG SER 9 HG SER 9 -1.211 -6.979 -8.826 61 H ILE 10 H ILE 10 -2.333 -4.858 -12.524 62 HA ILE 10 HA ILE 10 -1.197 -3.006 -14.421 63 HB ILE 10 HB ILE 10 -4.098 -3.839 -13.983 64 HG12 ILE 10 1HG1 ILE 10 -2.586 -5.732 -14.499 65 HG13 ILE 10 2HG1 ILE 10 -3.791 -5.441 -15.745 66 HG21 ILE 10 1HG2 ILE 10 -2.792 -2.327 -16.283 67 HG22 ILE 10 2HG2 ILE 10 -4.389 -3.113 -16.403 68 HG23 ILE 10 3HG2 ILE 10 -4.131 -1.786 -15.255 69 HD11 ILE 10 3HD1 ILE 10 -0.908 -4.504 -15.941 70 HD12 ILE 10 1HD1 ILE 10 -1.540 -6.002 -16.652 71 HD13 ILE 10 2HD1 ILE 10 -2.141 -4.431 -17.206 72 H CYS 11 H CYS 11 -3.665 -2.515 -11.876 73 HA CYS 11 HA CYS 11 -4.694 -0.662 -11.055 74 HB2 CYS 11 1HB CYS 11 -2.204 0.739 -12.031 75 HB3 CYS 11 2HB CYS 11 -3.559 1.609 -11.324 76 H SER 12 H SER 12 -6.569 -0.223 -11.976 77 HA SER 12 HA SER 12 -6.800 0.542 -14.779 78 HB2 SER 12 1HB SER 12 -9.180 0.892 -14.217 79 HB3 SER 12 2HB SER 12 -8.608 -0.671 -13.593 80 HG SER 12 HG SER 12 -9.698 0.289 -11.940 81 H LEU 13 H LEU 13 -7.854 2.700 -15.360 82 HA LEU 13 HA LEU 13 -6.219 4.817 -14.499 83 HB2 LEU 13 1HB LEU 13 -7.619 6.264 -15.769 84 HB3 LEU 13 2HB LEU 13 -7.470 4.736 -16.619 85 HG LEU 13 HG LEU 13 -9.814 4.300 -15.310 86 HD11 LEU 13 1HD1 LEU 13 -11.186 6.355 -15.495 87 HD12 LEU 13 2HD1 LEU 13 -9.736 7.291 -15.930 88 HD13 LEU 13 3HD1 LEU 13 -9.882 6.561 -14.312 89 HD21 LEU 13 3HD2 LEU 13 -10.901 4.869 -17.442 90 HD22 LEU 13 1HD2 LEU 13 -9.377 4.000 -17.707 91 HD23 LEU 13 2HD2 LEU 13 -9.450 5.764 -17.953 92 H TYR 14 H TYR 14 -9.208 3.640 -13.077 93 HA TYR 14 HA TYR 14 -9.800 5.982 -11.534 94 HB2 TYR 14 1HB TYR 14 -10.438 3.102 -10.841 95 HB3 TYR 14 2HB TYR 14 -11.328 4.552 -10.358 96 HD1 TYR 14 HD1 TYR 14 -12.462 5.939 -12.266 97 HD2 TYR 14 HD2 TYR 14 -10.981 1.937 -12.819 98 HE1 TYR 14 HE1 TYR 14 -13.855 5.701 -14.326 99 HE2 TYR 14 HE2 TYR 14 -12.363 1.716 -14.891 100 HH TYR 14 HH TYR 14 -14.495 4.323 -16.046 101 H GLN 15 H GLN 15 -7.800 3.097 -10.968 102 HA GLN 15 HA GLN 15 -7.200 3.712 -8.194 103 HB2 GLN 15 1HB GLN 15 -5.690 2.025 -10.213 104 HB3 GLN 15 2HB GLN 15 -5.424 2.058 -8.464 105 HG2 GLN 15 1HG GLN 15 -8.075 1.557 -8.509 106 HG3 GLN 15 2HG GLN 15 -7.621 0.818 -10.051 107 HE21 GLN 15 2HE2 GLN 15 -7.947 0.364 -6.782 108 HE22 GLN 15 1HE2 GLN 15 -6.939 -1.041 -6.601 109 H LEU 16 H LEU 16 -5.838 4.458 -11.360 110 HA LEU 16 HA LEU 16 -3.417 5.641 -10.393 111 HB2 LEU 16 1HB LEU 16 -4.883 5.936 -13.014 112 HB3 LEU 16 2HB LEU 16 -3.299 6.627 -12.685 113 HG LEU 16 HG LEU 16 -3.922 3.656 -12.562 114 HD11 LEU 16 1HD1 LEU 16 -2.418 5.174 -14.722 115 HD12 LEU 16 2HD1 LEU 16 -4.106 4.622 -14.861 116 HD13 LEU 16 3HD1 LEU 16 -2.806 3.435 -14.676 117 HD21 LEU 16 3HD2 LEU 16 -2.018 4.224 -11.158 118 HD22 LEU 16 1HD2 LEU 16 -1.299 5.196 -12.464 119 HD23 LEU 16 2HD2 LEU 16 -1.437 3.430 -12.629 120 H GLU 17 H GLU 17 -6.687 6.962 -10.844 121 HA GLU 17 HA GLU 17 -6.077 9.731 -10.816 122 HB2 GLU 17 1HB GLU 17 -8.385 8.211 -9.556 123 HB3 GLU 17 2HB GLU 17 -8.306 9.966 -9.615 124 HG2 GLU 17 1HG GLU 17 -7.985 8.576 -12.221 125 HG3 GLU 17 2HG GLU 17 -9.568 8.436 -11.456 126 HE2 GLU 17 HE2 GLU 17 -7.995 9.996 -13.517 127 H ASN 18 H ASN 18 -5.918 7.398 -8.178 128 HA ASN 18 HA ASN 18 -5.980 9.178 -5.970 129 HB2 ASN 18 1HB ASN 18 -4.579 6.521 -6.360 130 HB3 ASN 18 2HB ASN 18 -4.647 7.373 -4.814 131 HD21 ASN 18 2HD2 ASN 18 -6.034 4.991 -6.554 132 HD22 ASN 18 1HD2 ASN 18 -7.630 5.003 -5.829 133 H TYR 19 H TYR 19 -3.409 8.616 -8.298 134 HA TYR 19 HA TYR 19 -1.228 9.544 -6.604 135 HB2 TYR 19 1HB TYR 19 -1.624 9.223 -9.573 136 HB3 TYR 19 2HB TYR 19 -0.136 9.855 -8.901 137 HD1 TYR 19 HD1 TYR 19 -2.280 6.804 -9.039 138 HD2 TYR 19 HD2 TYR 19 1.538 8.453 -7.983 139 HE1 TYR 19 HE1 TYR 19 -1.362 4.510 -8.831 140 HE2 TYR 19 HE2 TYR 19 2.456 6.158 -7.771 141 HH TYR 19 HH TYR 19 0.497 3.245 -8.342 142 H CYS 20 H CYS 20 -3.835 11.170 -8.194 143 HA CYS 20 HA CYS 20 -2.286 13.593 -8.783 144 HB2 CYS 20 1HB CYS 20 -5.289 13.145 -8.808 145 HB3 CYS 20 2HB CYS 20 -4.416 14.505 -9.533 146 H ASN 21 H ASN 21 -2.656 15.632 -7.723 147 HA ASN 21 HA ASN 21 -2.790 15.372 -4.857 148 HB2 ASN 21 1HB ASN 21 -1.455 17.173 -6.054 149 HB3 ASN 21 2HB ASN 21 -2.984 17.949 -6.491 150 HD21 ASN 21 2HD2 ASN 21 -3.455 19.601 -5.204 151 HD22 ASN 21 1HD2 ASN 21 -3.143 19.652 -3.488 152 HXT ASN 21 H02 ASN 21 -5.955 15.865 -4.090 153 H1 PHE 1 3H0 PHE 1 -8.744 4.270 -22.444 154 H2 PHE 1 2H0 PHE 1 -8.154 3.341 -23.674 155 H3 PHE 1 1H0 PHE 1 -9.132 2.668 -22.531 156 HA PHE 1 HA PHE 1 -6.424 3.737 -22.075 157 HB2 PHE 1 1HB PHE 1 -8.207 3.965 -20.221 158 HB3 PHE 1 2HB PHE 1 -8.171 2.200 -20.122 159 HD1 PHE 1 HD2 PHE 1 -6.169 5.309 -19.671 160 HD2 PHE 1 HD1 PHE 1 -6.342 1.052 -19.024 161 HE1 PHE 1 HE2 PHE 1 -4.189 5.461 -18.169 162 HE2 PHE 1 HE1 PHE 1 -4.360 1.200 -17.520 163 HZ PHE 1 HZ PHE 1 -3.274 3.404 -17.104 164 H VAL 2 H VAL 2 -4.807 2.034 -21.650 165 HA VAL 2 HA VAL 2 -5.664 -0.648 -22.676 166 HB VAL 2 HB VAL 2 -3.033 0.810 -23.269 167 HG11 VAL 2 1HG1 VAL 2 -2.680 -1.616 -23.088 168 HG12 VAL 2 2HG1 VAL 2 -4.059 -1.925 -24.171 169 HG13 VAL 2 3HG1 VAL 2 -2.594 -1.129 -24.791 170 HG21 VAL 2 3HG2 VAL 2 -4.828 1.780 -24.610 171 HG22 VAL 2 1HG2 VAL 2 -3.827 0.755 -25.652 172 HG23 VAL 2 2HG2 VAL 2 -5.406 0.163 -25.080 173 H ASN 3 H ASN 3 -5.017 -2.334 -21.404 174 HA ASN 3 HA ASN 3 -3.839 -1.736 -18.825 175 HB2 ASN 3 1HB ASN 3 -3.681 -4.284 -18.688 176 HB3 ASN 3 2HB ASN 3 -5.317 -3.594 -18.820 177 HD21 ASN 3 2HD2 ASN 3 -3.376 -6.023 -19.908 178 HD22 ASN 3 1HD2 ASN 3 -4.168 -6.358 -21.426 179 H GLN 4 H GLN 4 -1.816 -1.660 -18.241 180 HA GLN 4 HA GLN 4 0.136 -3.521 -19.313 181 HB2 GLN 4 1HB GLN 4 1.774 -1.772 -19.947 182 HB3 GLN 4 2HB GLN 4 0.359 -1.722 -21.003 183 HG2 GLN 4 1HG GLN 4 -0.537 0.186 -19.662 184 HG3 GLN 4 2HG GLN 4 0.946 0.162 -18.699 185 HE21 GLN 4 2HE2 GLN 4 -0.419 0.751 -21.882 186 HE22 GLN 4 1HE2 GLN 4 0.907 1.727 -22.467 187 H HIS 5 H HIS 5 1.785 -3.703 -17.720 188 HA HIS 5 HA HIS 5 1.212 -2.553 -15.101 189 HB2 HIS 5 1HB HIS 5 3.681 -3.956 -16.200 190 HB3 HIS 5 2HB HIS 5 3.432 -3.508 -14.515 191 HD1 HIS 5 HD1 HIS 5 0.719 -4.446 -13.806 192 HD2 HIS 5 HD2 HIS 5 3.172 -6.627 -16.307 193 HE1 HIS 5 HE1 HIS 5 -0.136 -6.867 -13.794 194 HE2 HIS 5 HE2 HIS 5 1.403 -8.168 -15.298 195 H LEU 6 H LEU 6 2.318 -0.849 -14.070 196 HA LEU 6 HA LEU 6 3.787 0.950 -15.966 197 HB2 LEU 6 1HB LEU 6 1.710 1.556 -13.848 198 HB3 LEU 6 2HB LEU 6 2.631 2.777 -14.712 199 HG LEU 6 HG LEU 6 0.793 0.814 -16.098 200 HD11 LEU 6 1HD1 LEU 6 -0.509 2.115 -14.529 201 HD12 LEU 6 2HD1 LEU 6 -0.823 2.677 -16.180 202 HD13 LEU 6 3HD1 LEU 6 0.238 3.625 -15.107 203 HD21 LEU 6 3HD2 LEU 6 0.865 2.536 -17.899 204 HD22 LEU 6 1HD2 LEU 6 2.446 1.805 -17.580 205 HD23 LEU 6 2HD2 LEU 6 2.073 3.431 -16.960 206 H CYS 7 H CYS 7 5.865 0.871 -15.304 207 HA CYS 7 HA CYS 7 6.367 1.447 -12.408 208 HB2 CYS 7 1HB CYS 7 8.168 -0.059 -14.334 209 HB3 CYS 7 2HB CYS 7 8.428 0.167 -12.603 210 H GLY 8 H GLY 8 8.093 2.910 -11.966 211 HA2 GLY 8 1HA GLY 8 9.442 4.735 -12.383 212 HA3 GLY 8 2HA GLY 8 9.923 3.869 -13.848 213 H SER 9 H SER 9 9.995 5.362 -15.394 214 HA SER 9 HA SER 9 8.401 7.663 -15.549 215 HB2 SER 9 1HB SER 9 9.386 6.389 -18.065 216 HB3 SER 9 2HB SER 9 9.575 8.059 -17.477 217 HG SER 9 HG SER 9 11.552 7.029 -17.290 218 H HIS 10 H HIS 10 7.630 4.376 -16.709 219 HA HIS 10 HA HIS 10 5.603 5.194 -18.575 220 HB2 HIS 10 1HB HIS 10 6.384 2.680 -17.229 221 HB3 HIS 10 2HB HIS 10 4.668 2.799 -17.615 222 HD1 HIS 10 HD1 HIS 10 3.995 2.119 -19.961 223 HD2 HIS 10 HD2 HIS 10 8.049 3.191 -19.668 224 HE1 HIS 10 HE1 HIS 10 5.045 1.705 -22.237 225 HE2 HIS 10 HE2 HIS 10 7.484 2.354 -22.049 226 H LEU 11 H LEU 11 5.577 4.683 -15.066 227 HA LEU 11 HA LEU 11 2.721 4.837 -14.786 228 HB2 LEU 11 1HB LEU 11 4.287 3.910 -13.105 229 HB3 LEU 11 2HB LEU 11 4.959 5.508 -12.844 230 HG LEU 11 HG LEU 11 2.957 6.274 -11.765 231 HD11 LEU 11 1HD1 LEU 11 1.053 4.763 -11.318 232 HD12 LEU 11 2HD1 LEU 11 1.763 3.551 -12.408 233 HD13 LEU 11 3HD1 LEU 11 1.220 5.125 -13.043 234 HD21 LEU 11 3HD2 LEU 11 4.652 4.950 -10.514 235 HD22 LEU 11 1HD2 LEU 11 3.708 3.473 -10.820 236 HD23 LEU 11 2HD2 LEU 11 3.027 4.781 -9.827 237 H VAL 12 H VAL 12 5.354 7.237 -14.655 238 HA VAL 12 HA VAL 12 3.705 9.472 -14.003 239 HB VAL 12 HB VAL 12 6.320 9.397 -15.591 240 HG11 VAL 12 1HG1 VAL 12 5.048 11.655 -14.002 241 HG12 VAL 12 2HG1 VAL 12 6.626 11.707 -14.820 242 HG13 VAL 12 3HG1 VAL 12 5.139 11.555 -15.774 243 HG21 VAL 12 3HG2 VAL 12 7.372 9.888 -13.365 244 HG22 VAL 12 1HG2 VAL 12 5.795 9.595 -12.601 245 HG23 VAL 12 2HG2 VAL 12 6.632 8.281 -13.456 246 H GLU 13 H GLU 13 4.751 8.087 -17.140 247 HA GLU 13 HA GLU 13 3.591 10.119 -18.781 248 HB2 GLU 13 1HB GLU 13 4.202 7.192 -19.267 249 HB3 GLU 13 2HB GLU 13 3.593 8.270 -20.529 250 HG2 GLU 13 1HG GLU 13 5.558 9.634 -20.445 251 HG3 GLU 13 2HG GLU 13 6.133 8.840 -18.976 252 HE2 GLU 13 HE2 GLU 13 6.408 9.026 -22.059 253 H ALA 14 H ALA 14 2.250 7.185 -17.289 254 HA ALA 14 HA ALA 14 -0.187 7.239 -18.836 255 HB1 ALA 14 3HB ALA 14 0.635 5.205 -17.729 256 HB2 ALA 14 1HB ALA 14 0.450 5.977 -16.137 257 HB3 ALA 14 2HB ALA 14 -0.987 5.631 -17.130 258 H LEU 15 H LEU 15 0.859 8.603 -15.719 259 HA LEU 15 HA LEU 15 -1.730 9.347 -14.823 260 HB2 LEU 15 1HB LEU 15 1.044 10.342 -14.195 261 HB3 LEU 15 2HB LEU 15 -0.387 11.002 -13.408 262 HG LEU 15 HG LEU 15 0.328 8.060 -13.335 263 HD11 LEU 15 1HD1 LEU 15 2.082 9.412 -12.236 264 HD12 LEU 15 2HD1 LEU 15 1.158 8.426 -11.084 265 HD13 LEU 15 3HD1 LEU 15 0.836 10.171 -11.218 266 HD21 LEU 15 3HD2 LEU 15 -2.024 8.521 -12.977 267 HD22 LEU 15 1HD2 LEU 15 -1.618 9.757 -11.769 268 HD23 LEU 15 2HD2 LEU 15 -1.257 8.042 -11.461 269 H TYR 16 H TYR 16 0.438 10.983 -17.076 270 HA TYR 16 HA TYR 16 -0.851 13.542 -17.023 271 HB2 TYR 16 1HB TYR 16 0.584 11.992 -19.207 272 HB3 TYR 16 2HB TYR 16 -0.157 13.566 -19.512 273 HD1 TYR 16 HD1 TYR 16 0.618 15.598 -18.166 274 HD2 TYR 16 HD2 TYR 16 2.749 11.867 -18.192 275 HE1 TYR 16 HE1 TYR 16 2.662 16.753 -17.316 276 HE2 TYR 16 HE2 TYR 16 4.800 13.035 -17.377 277 HH TYR 16 HH TYR 16 4.851 16.527 -16.680 278 H LEU 17 H LEU 17 -1.579 10.520 -18.800 279 HA LEU 17 HA LEU 17 -3.815 11.684 -20.224 280 HB2 LEU 17 1HB LEU 17 -3.230 8.786 -19.554 281 HB3 LEU 17 2HB LEU 17 -4.397 9.371 -20.726 282 HG LEU 17 HG LEU 17 -1.392 9.773 -20.946 283 HD11 LEU 17 1HD1 LEU 17 -2.009 7.389 -21.026 284 HD12 LEU 17 2HD1 LEU 17 -1.467 7.971 -22.616 285 HD13 LEU 17 3HD1 LEU 17 -3.203 7.735 -22.303 286 HD21 LEU 17 3HD2 LEU 17 -3.646 10.186 -22.958 287 HD22 LEU 17 1HD2 LEU 17 -1.908 10.297 -23.320 288 HD23 LEU 17 2HD2 LEU 17 -2.653 11.456 -22.205 289 H VAL 18 H VAL 18 -3.431 9.857 -17.209 290 HA VAL 18 HA VAL 18 -6.198 9.250 -16.843 291 HB VAL 18 HB VAL 18 -3.900 9.515 -14.855 292 HG11 VAL 18 1HG1 VAL 18 -5.333 8.172 -13.305 293 HG12 VAL 18 2HG1 VAL 18 -5.936 9.808 -13.581 294 HG13 VAL 18 3HG1 VAL 18 -6.706 8.424 -14.406 295 HG21 VAL 18 3HG2 VAL 18 -5.253 6.997 -15.858 296 HG22 VAL 18 1HG2 VAL 18 -3.863 7.719 -16.680 297 HG23 VAL 18 2HG2 VAL 18 -3.699 7.171 -15.013 298 H CYS 19 H CYS 19 -4.181 11.915 -15.515 299 HA CYS 19 HA CYS 19 -6.681 13.021 -14.383 300 HB2 CYS 19 1HB CYS 19 -3.873 13.151 -13.660 301 HB3 CYS 19 2HB CYS 19 -4.655 14.747 -13.646 302 H GLY 20 H GLY 20 -4.814 13.410 -17.226 303 HA2 GLY 20 1HA GLY 20 -5.084 14.926 -18.934 304 HA3 GLY 20 2HA GLY 20 -6.586 15.446 -18.151 305 H GLU 21 H GLU 21 -6.345 17.592 -18.530 306 HA GLU 21 HA GLU 21 -3.947 19.071 -18.080 307 HB2 GLU 21 1HB GLU 21 -6.837 20.023 -18.119 308 HB3 GLU 21 2HB GLU 21 -5.407 21.045 -18.271 309 HG2 GLU 21 1HG GLU 21 -5.844 20.849 -20.483 310 HG3 GLU 21 2HG GLU 21 -4.915 19.352 -20.321 311 HE2 GLU 21 HE2 GLU 21 -8.314 19.062 -21.833 312 H ARG 22 H ARG 22 -6.038 17.746 -15.721 313 HA ARG 22 HA ARG 22 -5.902 19.881 -13.762 314 HB2 ARG 22 1HB ARG 22 -6.280 16.883 -13.453 315 HB3 ARG 22 2HB ARG 22 -6.439 18.047 -12.140 316 HG2 ARG 22 1HG ARG 22 -8.318 19.125 -13.241 317 HG3 ARG 22 2HG ARG 22 -8.156 18.052 -14.648 318 HD2 ARG 22 1HD ARG 22 -8.643 17.049 -11.825 319 HD3 ARG 22 2HD ARG 22 -9.948 17.397 -12.980 320 HE ARG 22 HE ARG 22 -8.189 15.712 -14.340 321 HH11 ARG 22 1HH1 ARG 22 -10.082 15.407 -11.359 322 HH12 ARG 22 2HH1 ARG 22 -10.263 13.680 -11.556 323 HH21 ARG 22 1HH2 ARG 22 -8.527 13.533 -14.526 324 HH22 ARG 22 2HH2 ARG 22 -9.390 12.650 -13.293 325 H GLY 23 H GLY 23 -3.699 17.388 -14.837 326 HA2 GLY 23 1HA GLY 23 -1.451 17.165 -14.298 327 HA3 GLY 23 2HA GLY 23 -1.611 18.480 -13.121 328 H PHE 24 H PHE 24 -0.067 16.669 -12.204 329 HA PHE 24 HA PHE 24 -1.466 15.356 -10.019 330 HB2 PHE 24 1HB PHE 24 -0.738 13.093 -10.546 331 HB3 PHE 24 2HB PHE 24 -1.766 13.682 -11.856 332 HD1 PHE 24 HD2 PHE 24 -0.753 14.398 -14.018 333 HD2 PHE 24 HD1 PHE 24 1.545 12.517 -10.924 334 HE1 PHE 24 HE2 PHE 24 1.043 13.912 -15.654 335 HE2 PHE 24 HE1 PHE 24 3.344 12.007 -12.555 336 HZ PHE 24 HZ PHE 24 3.102 12.722 -14.937 337 H PHE 25 H PHE 25 0.525 14.012 -8.869 338 HA PHE 25 HA PHE 25 3.080 15.402 -9.492 339 HB2 PHE 25 1HB PHE 25 3.551 15.846 -7.194 340 HB3 PHE 25 2HB PHE 25 1.955 16.528 -7.519 341 HD1 PHE 25 HD1 PHE 25 -0.108 15.251 -6.724 342 HD2 PHE 25 HD2 PHE 25 3.886 14.167 -5.546 343 HE1 PHE 25 HE1 PHE 25 -1.034 13.913 -4.839 344 HE2 PHE 25 HE2 PHE 25 2.971 12.838 -3.651 345 HZ PHE 25 HZ PHE 25 0.503 12.705 -3.297 346 H TYR 26 H TYR 26 4.944 14.130 -8.625 347 HA TYR 26 HA TYR 26 4.333 11.378 -7.809 348 HB2 TYR 26 1HB TYR 26 4.217 11.388 -10.336 349 HB3 TYR 26 2HB TYR 26 5.911 11.905 -10.358 350 HD1 TYR 26 HD1 TYR 26 3.631 9.182 -9.127 351 HD2 TYR 26 HD2 TYR 26 7.654 10.271 -10.205 352 HE1 TYR 26 HE1 TYR 26 4.344 6.806 -8.897 353 HE2 TYR 26 HE2 TYR 26 8.347 7.880 -10.000 354 HH TYR 26 HH TYR 26 6.073 5.319 -9.003 355 H THR 27 H THR 27 6.142 10.380 -6.858 356 HA THR 27 HA THR 27 8.496 12.173 -6.461 357 HB THR 27 HB THR 27 7.491 12.237 -4.372 358 HG1 THR 27 HG1 THR 27 9.536 11.546 -3.970 359 HG21 THR 27 1HG2 THR 27 5.661 10.763 -4.644 360 HG22 THR 27 2HG2 THR 27 6.596 10.141 -3.269 361 HG23 THR 27 3HG2 THR 27 6.731 9.355 -4.858 362 HA PRO 28 HA PRO 28 9.992 8.296 -8.313 363 HB2 PRO 28 1HB PRO 28 11.912 9.351 -9.919 364 HB3 PRO 28 2HB PRO 28 10.170 9.462 -10.340 365 HG2 PRO 28 1HG PRO 28 11.940 11.493 -9.028 366 HG3 PRO 28 2HG PRO 28 10.819 11.703 -10.407 367 HD2 PRO 28 1HD PRO 28 10.166 12.354 -7.816 368 HD3 PRO 28 2HD PRO 28 8.936 11.774 -8.990 369 H LYS 29 H LYS 29 11.879 7.073 -7.910 370 HA LYS 29 HA LYS 29 13.540 8.111 -5.703 371 HB2 LYS 29 1HB LYS 29 14.515 5.763 -5.762 372 HB3 LYS 29 2HB LYS 29 12.828 5.913 -5.277 373 HG2 LYS 29 1HG LYS 29 12.016 4.866 -7.181 374 HG3 LYS 29 2HG LYS 29 13.413 5.305 -8.173 375 HD2 LYS 29 1HD LYS 29 14.028 3.539 -5.860 376 HD3 LYS 29 2HD LYS 29 12.984 2.822 -7.097 377 HE2 LYS 29 1HE LYS 29 15.276 2.285 -7.652 378 HE3 LYS 29 2HE LYS 29 14.665 3.435 -8.850 379 HZ1 LYS 29 3HZ LYS 29 16.916 3.972 -8.122 380 HZ2 LYS 29 1HZ LYS 29 16.414 4.152 -6.561 381 HZ3 LYS 29 2HZ LYS 29 15.878 5.193 -7.729 382 H THR 30 H THR 30 14.690 9.714 -6.827 383 HA THR 30 HA THR 30 16.257 9.079 -9.176 384 HB THR 30 HB THR 30 17.314 11.356 -8.643 385 HG1 THR 30 HG1 THR 30 16.187 12.491 -6.959 386 HG21 THR 30 1HG2 THR 30 14.226 11.227 -8.659 387 HG22 THR 30 2HG2 THR 30 15.245 11.111 -10.108 388 HG23 THR 30 3HG2 THR 30 15.215 12.607 -9.165 389 HXT THR 30 H02 THR 30 18.692 8.664 -6.176 Start of MODEL 49 1 H1 GLY 1 3H0 GLY 1 0.320 -0.237 0.668 2 H2 GLY 1 2H0 GLY 1 -1.117 0.025 -0.101 3 H3 GLY 1 1H0 GLY 1 -0.006 -0.998 -0.759 4 HA2 GLY 1 1HA GLY 1 0.348 1.903 -0.399 5 HA3 GLY 1 2HA GLY 1 1.533 0.796 -1.124 6 H ILE 2 H ILE 2 1.196 2.512 -2.939 7 HA ILE 2 HA ILE 2 -0.947 1.436 -4.681 8 HB ILE 2 HB ILE 2 -1.504 3.655 -3.697 9 HG12 ILE 2 1HG1 ILE 2 -1.120 3.689 -6.699 10 HG13 ILE 2 2HG1 ILE 2 -2.388 2.797 -5.852 11 HG21 ILE 2 1HG2 ILE 2 0.766 4.795 -5.410 12 HG22 ILE 2 2HG2 ILE 2 -0.341 5.694 -4.356 13 HG23 ILE 2 3HG2 ILE 2 0.848 4.601 -3.639 14 HD11 ILE 2 3HD1 ILE 2 -3.150 4.963 -4.860 15 HD12 ILE 2 1HD1 ILE 2 -1.993 5.793 -5.931 16 HD13 ILE 2 2HD1 ILE 2 -3.321 4.844 -6.629 17 H VAL 3 H VAL 3 2.357 2.851 -4.571 18 HA VAL 3 HA VAL 3 2.692 2.743 -7.414 19 HB VAL 3 HB VAL 3 4.850 2.714 -5.253 20 HG11 VAL 3 1HG1 VAL 3 6.299 3.660 -7.072 21 HG12 VAL 3 2HG1 VAL 3 5.750 2.013 -7.444 22 HG13 VAL 3 3HG1 VAL 3 4.976 3.405 -8.233 23 HG21 VAL 3 3HG2 VAL 3 4.968 5.181 -5.742 24 HG22 VAL 3 1HG2 VAL 3 3.509 5.013 -6.742 25 HG23 VAL 3 2HG2 VAL 3 3.437 4.688 -4.995 26 H GLU 4 H GLU 4 3.645 0.481 -4.805 27 HA GLU 4 HA GLU 4 5.005 -1.370 -6.471 28 HB2 GLU 4 1HB GLU 4 5.011 -1.368 -3.958 29 HB3 GLU 4 2HB GLU 4 3.333 -1.908 -3.991 30 HG2 GLU 4 1HG GLU 4 4.112 -3.963 -5.261 31 HG3 GLU 4 2HG GLU 4 5.771 -3.440 -4.938 32 HE2 GLU 4 HE2 GLU 4 5.375 -5.512 -2.266 33 H GLN 5 H GLN 5 1.588 -1.013 -5.582 34 HA GLN 5 HA GLN 5 0.668 -3.432 -6.745 35 HB2 GLN 5 1HB GLN 5 -0.625 -0.788 -6.039 36 HB3 GLN 5 2HB GLN 5 -1.554 -2.112 -6.748 37 HG2 GLN 5 1HG GLN 5 -1.732 -2.028 -4.257 38 HG3 GLN 5 2HG GLN 5 -1.088 -3.559 -4.858 39 HE21 GLN 5 2HE2 GLN 5 0.360 -4.350 -3.509 40 HE22 GLN 5 1HE2 GLN 5 1.625 -3.446 -2.706 41 H CYS 6 H CYS 6 1.035 -0.135 -8.151 42 HA CYS 6 HA CYS 6 -0.110 -1.075 -10.688 43 HB2 CYS 6 1HB CYS 6 1.303 1.524 -10.019 44 HB3 CYS 6 2HB CYS 6 0.415 1.171 -11.504 45 H CYS 7 H CYS 7 2.959 -1.216 -9.211 46 HA CYS 7 HA CYS 7 4.417 -1.264 -11.763 47 HB2 CYS 7 1HB CYS 7 5.482 -0.301 -9.794 48 HB3 CYS 7 2HB CYS 7 5.282 -1.817 -8.912 49 H THR 8 H THR 8 3.529 -3.577 -9.139 50 HA THR 8 HA THR 8 4.622 -5.805 -10.670 51 HB THR 8 HB THR 8 4.573 -5.650 -8.110 52 HG1 THR 8 HG1 THR 8 4.949 -7.603 -9.326 53 HG21 THR 8 1HG2 THR 8 1.752 -6.724 -8.425 54 HG22 THR 8 2HG2 THR 8 2.091 -5.030 -8.005 55 HG23 THR 8 3HG2 THR 8 2.618 -6.338 -6.926 56 H SER 9 H SER 9 1.544 -4.187 -10.465 57 HA SER 9 HA SER 9 0.504 -6.217 -12.363 58 HB2 SER 9 1HB SER 9 -0.413 -6.586 -9.990 59 HB3 SER 9 2HB SER 9 -1.210 -5.004 -10.132 60 HG SER 9 HG SER 9 -2.396 -7.036 -10.780 61 H ILE 10 H ILE 10 -1.952 -5.051 -12.903 62 HA ILE 10 HA ILE 10 -0.821 -3.045 -14.704 63 HB ILE 10 HB ILE 10 -3.635 -4.227 -14.558 64 HG12 ILE 10 1HG1 ILE 10 -1.890 -5.961 -14.888 65 HG13 ILE 10 2HG1 ILE 10 -2.976 -5.792 -16.261 66 HG21 ILE 10 1HG2 ILE 10 -3.745 -3.551 -16.988 67 HG22 ILE 10 2HG2 ILE 10 -3.715 -2.193 -15.858 68 HG23 ILE 10 3HG2 ILE 10 -2.240 -2.626 -16.738 69 HD11 ILE 10 3HD1 ILE 10 -1.288 -4.650 -17.559 70 HD12 ILE 10 1HD1 ILE 10 -0.206 -4.550 -16.164 71 HD13 ILE 10 2HD1 ILE 10 -0.581 -6.127 -16.888 72 H CYS 11 H CYS 11 -3.179 -3.014 -12.062 73 HA CYS 11 HA CYS 11 -4.459 -1.368 -11.112 74 HB2 CYS 11 1HB CYS 11 -2.221 0.327 -12.221 75 HB3 CYS 11 2HB CYS 11 -3.660 1.109 -11.581 76 H SER 12 H SER 12 -5.363 1.130 -12.166 77 HA SER 12 HA SER 12 -6.269 0.687 -14.914 78 HB2 SER 12 1HB SER 12 -8.652 0.701 -14.374 79 HB3 SER 12 2HB SER 12 -7.895 -0.682 -13.554 80 HG SER 12 HG SER 12 -9.119 0.300 -12.031 81 H LEU 13 H LEU 13 -7.740 2.708 -15.431 82 HA LEU 13 HA LEU 13 -6.282 5.006 -14.663 83 HB2 LEU 13 1HB LEU 13 -7.898 6.287 -15.840 84 HB3 LEU 13 2HB LEU 13 -7.624 4.796 -16.721 85 HG LEU 13 HG LEU 13 -9.858 4.141 -15.261 86 HD11 LEU 13 1HD1 LEU 13 -11.418 6.052 -15.490 87 HD12 LEU 13 2HD1 LEU 13 -10.077 7.087 -16.025 88 HD13 LEU 13 3HD1 LEU 13 -10.098 6.428 -14.372 89 HD21 LEU 13 3HD2 LEU 13 -11.079 4.482 -17.363 90 HD22 LEU 13 1HD2 LEU 13 -9.487 3.757 -17.661 91 HD23 LEU 13 2HD2 LEU 13 -9.751 5.489 -17.985 92 H TYR 14 H TYR 14 -9.176 3.540 -13.215 93 HA TYR 14 HA TYR 14 -9.867 5.755 -11.561 94 HB2 TYR 14 1HB TYR 14 -10.283 2.821 -10.936 95 HB3 TYR 14 2HB TYR 14 -11.264 4.193 -10.400 96 HD1 TYR 14 HD1 TYR 14 -12.517 5.550 -12.244 97 HD2 TYR 14 HD2 TYR 14 -10.782 1.671 -12.940 98 HE1 TYR 14 HE1 TYR 14 -13.932 5.276 -14.281 99 HE2 TYR 14 HE2 TYR 14 -12.191 1.417 -14.994 100 HH TYR 14 HH TYR 14 -14.504 3.925 -16.033 101 H GLN 15 H GLN 15 -7.657 3.016 -11.116 102 HA GLN 15 HA GLN 15 -7.060 3.596 -8.340 103 HB2 GLN 15 1HB GLN 15 -5.480 2.119 -10.479 104 HB3 GLN 15 2HB GLN 15 -5.084 2.127 -8.761 105 HG2 GLN 15 1HG GLN 15 -7.685 1.065 -9.936 106 HG3 GLN 15 2HG GLN 15 -6.283 0.074 -9.504 107 HE21 GLN 15 2HE2 GLN 15 -9.237 0.801 -8.454 108 HE22 GLN 15 1HE2 GLN 15 -8.983 0.752 -6.728 109 H LEU 16 H LEU 16 -5.733 4.510 -11.496 110 HA LEU 16 HA LEU 16 -3.451 5.906 -10.493 111 HB2 LEU 16 1HB LEU 16 -4.952 6.078 -13.102 112 HB3 LEU 16 2HB LEU 16 -3.490 6.996 -12.774 113 HG LEU 16 HG LEU 16 -3.644 3.962 -12.665 114 HD11 LEU 16 1HD1 LEU 16 -2.453 4.006 -14.824 115 HD12 LEU 16 2HD1 LEU 16 -2.630 5.778 -14.880 116 HD13 LEU 16 3HD1 LEU 16 -4.066 4.728 -14.942 117 HD21 LEU 16 3HD2 LEU 16 -1.814 4.851 -11.321 118 HD22 LEU 16 1HD2 LEU 16 -1.283 5.877 -12.674 119 HD23 LEU 16 2HD2 LEU 16 -1.174 4.105 -12.793 120 H GLU 17 H GLU 17 -6.825 6.956 -10.945 121 HA GLU 17 HA GLU 17 -6.427 9.756 -10.829 122 HB2 GLU 17 1HB GLU 17 -8.640 7.986 -9.756 123 HB3 GLU 17 2HB GLU 17 -8.696 9.743 -9.636 124 HG2 GLU 17 1HG GLU 17 -8.655 9.972 -12.040 125 HG3 GLU 17 2HG GLU 17 -8.430 8.238 -12.240 126 HE2 GLU 17 HE2 GLU 17 -10.464 10.308 -10.529 127 H ASN 18 H ASN 18 -6.135 7.374 -8.231 128 HA ASN 18 HA ASN 18 -6.412 9.156 -6.031 129 HB2 ASN 18 1HB ASN 18 -4.825 6.606 -6.367 130 HB3 ASN 18 2HB ASN 18 -4.974 7.456 -4.826 131 HD21 ASN 18 2HD2 ASN 18 -6.207 5.012 -6.645 132 HD22 ASN 18 1HD2 ASN 18 -7.801 4.913 -5.924 133 H TYR 19 H TYR 19 -3.719 8.699 -8.258 134 HA TYR 19 HA TYR 19 -1.656 9.822 -6.558 135 HB2 TYR 19 1HB TYR 19 -1.989 9.489 -9.537 136 HB3 TYR 19 2HB TYR 19 -0.553 10.219 -8.854 137 HD1 TYR 19 HD2 TYR 19 -2.469 7.035 -9.082 138 HD2 TYR 19 HD1 TYR 19 1.187 8.912 -7.842 139 HE1 TYR 19 HE2 TYR 19 -1.407 4.803 -8.866 140 HE2 TYR 19 HE1 TYR 19 2.243 6.665 -7.608 141 HH TYR 19 HH TYR 19 0.463 3.644 -8.344 142 H CYS 20 H CYS 20 -4.301 11.173 -8.382 143 HA CYS 20 HA CYS 20 -3.292 13.914 -7.785 144 HB2 CYS 20 1HB CYS 20 -4.397 14.620 -9.922 145 HB3 CYS 20 2HB CYS 20 -2.945 13.654 -10.119 146 H ASN 21 H ASN 21 -4.840 12.324 -6.144 147 HA ASN 21 HA ASN 21 -7.669 12.666 -6.455 148 HB2 ASN 21 1HB ASN 21 -6.686 11.016 -4.854 149 HB3 ASN 21 2HB ASN 21 -6.020 12.341 -3.895 150 HD21 ASN 21 2HD2 ASN 21 -7.151 12.659 -2.112 151 HD22 ASN 21 1HD2 ASN 21 -8.891 12.602 -2.005 152 HXT ASN 21 H02 ASN 21 -8.300 15.775 -5.523 153 H1 PHE 1 3H0 PHE 1 -7.512 3.013 -23.559 154 H2 PHE 1 2H0 PHE 1 -6.868 4.505 -23.272 155 H3 PHE 1 1H0 PHE 1 -6.228 3.541 -24.448 156 HA PHE 1 HA PHE 1 -4.794 3.517 -22.535 157 HB2 PHE 1 1HB PHE 1 -6.902 3.965 -21.057 158 HB3 PHE 1 2HB PHE 1 -7.085 2.208 -21.047 159 HD1 PHE 1 HD1 PHE 1 -5.041 5.068 -19.908 160 HD2 PHE 1 HD2 PHE 1 -5.486 0.780 -19.823 161 HE1 PHE 1 HE1 PHE 1 -3.433 4.943 -18.014 162 HE2 PHE 1 HE2 PHE 1 -3.866 0.649 -17.935 163 HZ PHE 1 HZ PHE 1 -2.846 2.735 -17.019 164 H VAL 2 H VAL 2 -3.585 1.540 -22.063 165 HA VAL 2 HA VAL 2 -4.842 -0.969 -23.012 166 HB VAL 2 HB VAL 2 -3.598 -0.022 -24.985 167 HG11 VAL 2 1HG1 VAL 2 -1.821 1.201 -23.744 168 HG12 VAL 2 2HG1 VAL 2 -1.096 -0.358 -23.278 169 HG13 VAL 2 3HG1 VAL 2 -1.160 0.121 -24.987 170 HG21 VAL 2 3HG2 VAL 2 -2.279 -2.519 -23.836 171 HG22 VAL 2 1HG2 VAL 2 -3.851 -2.476 -24.677 172 HG23 VAL 2 2HG2 VAL 2 -2.365 -2.047 -25.548 173 H ASN 3 H ASN 3 -4.055 -2.761 -21.877 174 HA ASN 3 HA ASN 3 -3.110 -2.161 -19.247 175 HB2 ASN 3 1HB ASN 3 -3.316 -4.785 -20.769 176 HB3 ASN 3 2HB ASN 3 -2.832 -4.666 -19.074 177 HD21 ASN 3 2HD2 ASN 3 -5.025 -6.160 -19.747 178 HD22 ASN 3 1HD2 ASN 3 -6.472 -5.358 -19.189 179 H GLN 4 H GLN 4 -1.150 -1.946 -18.444 180 HA GLN 4 HA GLN 4 1.083 -3.523 -19.412 181 HB2 GLN 4 1HB GLN 4 2.523 -1.529 -19.859 182 HB3 GLN 4 2HB GLN 4 1.221 -1.699 -21.041 183 HG2 GLN 4 1HG GLN 4 -0.104 0.001 -19.758 184 HG3 GLN 4 2HG GLN 4 1.301 0.239 -18.720 185 HE21 GLN 4 2HE2 GLN 4 -0.228 0.995 -21.661 186 HE22 GLN 4 1HE2 GLN 4 1.029 2.023 -22.314 187 H HIS 5 H HIS 5 2.598 -3.637 -17.712 188 HA HIS 5 HA HIS 5 1.772 -2.616 -15.108 189 HB2 HIS 5 1HB HIS 5 4.388 -3.845 -16.065 190 HB3 HIS 5 2HB HIS 5 3.995 -3.476 -14.388 191 HD1 HIS 5 HD1 HIS 5 1.267 -4.564 -13.950 192 HD2 HIS 5 HD2 HIS 5 4.039 -6.537 -16.289 193 HE1 HIS 5 HE1 HIS 5 0.534 -7.019 -14.085 194 HE2 HIS 5 HE2 HIS 5 2.264 -8.196 -15.487 195 H LEU 6 H LEU 6 2.690 -0.912 -13.903 196 HA LEU 6 HA LEU 6 4.272 1.044 -15.559 197 HB2 LEU 6 1HB LEU 6 1.979 1.534 -13.632 198 HB3 LEU 6 2HB LEU 6 2.871 2.773 -14.493 199 HG LEU 6 HG LEU 6 1.166 0.673 -15.858 200 HD11 LEU 6 1HD1 LEU 6 0.487 3.514 -15.029 201 HD12 LEU 6 2HD1 LEU 6 -0.215 2.012 -14.378 202 HD13 LEU 6 3HD1 LEU 6 -0.516 2.469 -16.063 203 HD21 LEU 6 3HD2 LEU 6 2.800 1.631 -17.375 204 HD22 LEU 6 1HD2 LEU 6 2.391 3.278 -16.828 205 HD23 LEU 6 2HD2 LEU 6 1.209 2.324 -17.737 206 H CYS 7 H CYS 7 6.272 1.007 -14.568 207 HA CYS 7 HA CYS 7 6.300 1.309 -11.589 208 HB2 CYS 7 1HB CYS 7 8.494 0.257 -13.400 209 HB3 CYS 7 2HB CYS 7 8.517 0.306 -11.635 210 H GLY 8 H GLY 8 8.466 2.119 -14.346 211 HA2 GLY 8 1HA GLY 8 9.503 4.408 -12.826 212 HA3 GLY 8 2HA GLY 8 10.105 3.789 -14.368 213 H SER 9 H SER 9 10.071 5.445 -15.764 214 HA SER 9 HA SER 9 8.392 7.687 -15.724 215 HB2 SER 9 1HB SER 9 9.023 7.188 -18.413 216 HB3 SER 9 2HB SER 9 9.981 8.135 -17.246 217 HG SER 9 HG SER 9 11.276 6.497 -18.058 218 H HIS 10 H HIS 10 7.701 4.474 -16.957 219 HA HIS 10 HA HIS 10 5.538 5.066 -18.699 220 HB2 HIS 10 1HB HIS 10 6.353 2.736 -16.989 221 HB3 HIS 10 2HB HIS 10 4.705 2.765 -17.610 222 HD1 HIS 10 HD1 HIS 10 4.305 1.933 -19.956 223 HD2 HIS 10 HD2 HIS 10 8.343 2.846 -19.205 224 HE1 HIS 10 HE1 HIS 10 5.623 1.181 -21.978 225 HE2 HIS 10 HE2 HIS 10 8.058 1.729 -21.527 226 H LEU 11 H LEU 11 5.626 4.808 -15.122 227 HA LEU 11 HA LEU 11 2.768 4.898 -14.798 228 HB2 LEU 11 1HB LEU 11 4.386 4.075 -13.102 229 HB3 LEU 11 2HB LEU 11 5.025 5.701 -12.925 230 HG LEU 11 HG LEU 11 2.967 6.470 -11.900 231 HD11 LEU 11 1HD1 LEU 11 1.936 3.635 -12.295 232 HD12 LEU 11 2HD1 LEU 11 1.299 5.113 -13.065 233 HD13 LEU 11 3HD1 LEU 11 1.155 4.894 -11.313 234 HD21 LEU 11 3HD2 LEU 11 3.874 3.812 -10.722 235 HD22 LEU 11 1HD2 LEU 11 3.116 5.163 -9.845 236 HD23 LEU 11 2HD2 LEU 11 4.734 5.357 -10.549 237 H VAL 12 H VAL 12 5.336 7.355 -14.862 238 HA VAL 12 HA VAL 12 3.690 9.585 -14.198 239 HB VAL 12 HB VAL 12 6.222 9.471 -15.917 240 HG11 VAL 12 1HG1 VAL 12 6.539 11.816 -15.278 241 HG12 VAL 12 2HG1 VAL 12 5.017 11.601 -16.162 242 HG13 VAL 12 3HG1 VAL 12 4.995 11.796 -14.397 243 HG21 VAL 12 3HG2 VAL 12 6.641 8.468 -13.727 244 HG22 VAL 12 1HG2 VAL 12 7.386 10.076 -13.775 245 HG23 VAL 12 2HG2 VAL 12 5.850 9.835 -12.909 246 H GLU 13 H GLU 13 4.572 8.107 -17.353 247 HA GLU 13 HA GLU 13 3.175 10.060 -18.923 248 HB2 GLU 13 1HB GLU 13 3.934 7.188 -19.523 249 HB3 GLU 13 2HB GLU 13 3.248 8.308 -20.709 250 HG2 GLU 13 1HG GLU 13 5.900 8.599 -19.264 251 HG3 GLU 13 2HG GLU 13 5.657 8.235 -20.976 252 HE2 GLU 13 HE2 GLU 13 4.544 11.517 -21.574 253 H ALA 14 H ALA 14 2.113 7.126 -17.267 254 HA ALA 14 HA ALA 14 -0.447 7.019 -18.614 255 HB1 ALA 14 3HB ALA 14 0.580 5.075 -17.447 256 HB2 ALA 14 1HB ALA 14 0.388 5.923 -15.894 257 HB3 ALA 14 2HB ALA 14 -1.047 5.445 -16.833 258 H LEU 15 H LEU 15 0.825 8.521 -15.633 259 HA LEU 15 HA LEU 15 -1.710 9.426 -14.672 260 HB2 LEU 15 1HB LEU 15 1.131 10.345 -14.193 261 HB3 LEU 15 2HB LEU 15 -0.250 11.114 -13.421 262 HG LEU 15 HG LEU 15 0.459 8.184 -13.099 263 HD11 LEU 15 1HD1 LEU 15 1.234 8.755 -10.880 264 HD12 LEU 15 2HD1 LEU 15 0.849 10.470 -11.153 265 HD13 LEU 15 3HD1 LEU 15 2.146 9.686 -12.084 266 HD21 LEU 15 3HD2 LEU 15 -1.909 8.611 -12.836 267 HD22 LEU 15 1HD2 LEU 15 -1.559 9.947 -11.721 268 HD23 LEU 15 2HD2 LEU 15 -1.162 8.269 -11.278 269 H TYR 16 H TYR 16 0.567 10.865 -17.003 270 HA TYR 16 HA TYR 16 -0.620 13.456 -17.101 271 HB2 TYR 16 1HB TYR 16 0.837 11.736 -19.108 272 HB3 TYR 16 2HB TYR 16 0.023 13.203 -19.648 273 HD1 TYR 16 HD1 TYR 16 0.583 15.424 -18.360 274 HD2 TYR 16 HD2 TYR 16 3.072 11.918 -18.307 275 HE1 TYR 16 HE1 TYR 16 2.546 16.813 -17.685 276 HE2 TYR 16 HE2 TYR 16 5.028 13.313 -17.665 277 HH TYR 16 HH TYR 16 5.789 15.410 -17.186 278 H LEU 17 H LEU 17 -1.582 10.385 -18.656 279 HA LEU 17 HA LEU 17 -3.685 11.620 -20.207 280 HB2 LEU 17 1HB LEU 17 -3.357 8.752 -19.279 281 HB3 LEU 17 2HB LEU 17 -4.498 9.323 -20.485 282 HG LEU 17 HG LEU 17 -1.478 9.463 -20.782 283 HD11 LEU 17 1HD1 LEU 17 -3.469 7.459 -21.915 284 HD12 LEU 17 2HD1 LEU 17 -2.270 7.136 -20.637 285 HD13 LEU 17 3HD1 LEU 17 -1.729 7.528 -22.280 286 HD21 LEU 17 3HD2 LEU 17 -3.737 9.871 -22.789 287 HD22 LEU 17 1HD2 LEU 17 -2.003 9.808 -23.188 288 HD23 LEU 17 2HD2 LEU 17 -2.628 11.119 -22.172 289 H VAL 18 H VAL 18 -3.611 9.897 -17.083 290 HA VAL 18 HA VAL 18 -6.501 9.836 -16.890 291 HB VAL 18 HB VAL 18 -4.327 9.312 -14.808 292 HG11 VAL 18 1HG1 VAL 18 -6.429 9.820 -13.676 293 HG12 VAL 18 2HG1 VAL 18 -7.310 8.694 -14.738 294 HG13 VAL 18 3HG1 VAL 18 -6.106 8.085 -13.580 295 HG21 VAL 18 3HG2 VAL 18 -5.938 7.467 -16.626 296 HG22 VAL 18 1HG2 VAL 18 -4.186 7.752 -16.676 297 HG23 VAL 18 2HG2 VAL 18 -4.902 6.916 -15.296 298 H CYS 19 H CYS 19 -3.944 11.817 -15.356 299 HA CYS 19 HA CYS 19 -5.977 13.314 -13.858 300 HB2 CYS 19 1HB CYS 19 -2.997 13.782 -14.151 301 HB3 CYS 19 2HB CYS 19 -4.068 14.509 -12.942 302 H GLY 20 H GLY 20 -4.569 13.395 -16.994 303 HA2 GLY 20 1HA GLY 20 -4.785 14.907 -18.696 304 HA3 GLY 20 2HA GLY 20 -6.276 15.380 -17.885 305 H GLU 21 H GLU 21 -6.355 17.456 -18.179 306 HA GLU 21 HA GLU 21 -4.081 19.206 -18.190 307 HB2 GLU 21 1HB GLU 21 -7.018 19.918 -17.820 308 HB3 GLU 21 2HB GLU 21 -5.730 20.982 -18.374 309 HG2 GLU 21 1HG GLU 21 -6.774 20.470 -20.369 310 HG3 GLU 21 2HG GLU 21 -5.480 19.264 -20.348 311 HE2 GLU 21 HE2 GLU 21 -7.215 18.699 -21.843 312 H ARG 22 H ARG 22 -5.773 17.843 -15.537 313 HA ARG 22 HA ARG 22 -5.635 20.215 -13.820 314 HB2 ARG 22 1HB ARG 22 -6.257 17.294 -13.251 315 HB3 ARG 22 2HB ARG 22 -6.222 18.548 -12.019 316 HG2 ARG 22 1HG ARG 22 -8.493 18.408 -12.504 317 HG3 ARG 22 2HG ARG 22 -7.976 19.797 -13.466 318 HD2 ARG 22 1HD ARG 22 -9.497 18.404 -14.772 319 HD3 ARG 22 2HD ARG 22 -7.879 18.336 -15.488 320 HE ARG 22 HE ARG 22 -8.236 16.197 -13.612 321 HH11 ARG 22 1HH1 ARG 22 -9.117 17.116 -16.917 322 HH12 ARG 22 2HH1 ARG 22 -9.291 15.455 -17.417 323 HH21 ARG 22 1HH2 ARG 22 -8.471 14.117 -14.339 324 HH22 ARG 22 2HH2 ARG 22 -8.918 13.790 -15.987 325 H GLY 23 H GLY 23 -3.505 17.660 -14.767 326 HA2 GLY 23 1HA GLY 23 -1.236 17.501 -14.279 327 HA3 GLY 23 2HA GLY 23 -1.404 18.809 -13.096 328 H PHE 24 H PHE 24 0.202 16.948 -12.253 329 HA PHE 24 HA PHE 24 -1.164 15.663 -10.030 330 HB2 PHE 24 1HB PHE 24 -0.531 13.379 -10.583 331 HB3 PHE 24 2HB PHE 24 -1.585 14.019 -11.841 332 HD1 PHE 24 HD1 PHE 24 -0.677 14.659 -14.057 333 HD2 PHE 24 HD2 PHE 24 1.733 12.748 -11.066 334 HE1 PHE 24 HE1 PHE 24 1.006 14.089 -15.782 335 HE2 PHE 24 HE2 PHE 24 3.407 12.141 -12.785 336 HZ PHE 24 HZ PHE 24 3.050 12.823 -15.168 337 H PHE 25 H PHE 25 0.672 14.225 -8.915 338 HA PHE 25 HA PHE 25 3.360 15.355 -9.478 339 HB2 PHE 25 1HB PHE 25 3.805 15.838 -7.198 340 HB3 PHE 25 2HB PHE 25 2.241 16.591 -7.525 341 HD1 PHE 25 HD1 PHE 25 0.114 15.343 -6.761 342 HD2 PHE 25 HD2 PHE 25 4.076 14.220 -5.497 343 HE1 PHE 25 HE1 PHE 25 -0.860 14.048 -4.876 344 HE2 PHE 25 HE2 PHE 25 3.109 12.939 -3.595 345 HZ PHE 25 HZ PHE 25 0.635 12.845 -3.283 346 H TYR 26 H TYR 26 5.025 13.913 -8.342 347 HA TYR 26 HA TYR 26 4.035 11.220 -7.676 348 HB2 TYR 26 1HB TYR 26 4.318 11.185 -10.153 349 HB3 TYR 26 2HB TYR 26 5.992 11.725 -9.960 350 HD1 TYR 26 HD2 TYR 26 3.796 9.045 -8.418 351 HD2 TYR 26 HD1 TYR 26 7.569 10.013 -10.259 352 HE1 TYR 26 HE2 TYR 26 4.545 6.684 -8.147 353 HE2 TYR 26 HE1 TYR 26 8.290 7.634 -10.007 354 HH TYR 26 HH TYR 26 7.657 5.503 -9.390 355 H THR 27 H THR 27 5.671 10.025 -6.532 356 HA THR 27 HA THR 27 7.975 11.713 -5.654 357 HB THR 27 HB THR 27 6.636 11.643 -3.748 358 HG1 THR 27 HG1 THR 27 8.642 10.936 -3.142 359 HG21 THR 27 1HG2 THR 27 5.983 8.787 -4.514 360 HG22 THR 27 2HG2 THR 27 4.880 10.176 -4.375 361 HG23 THR 27 3HG2 THR 27 5.606 9.474 -2.918 362 HA PRO 28 HA PRO 28 9.726 7.916 -7.538 363 HB2 PRO 28 1HB PRO 28 11.769 9.110 -8.876 364 HB3 PRO 28 2HB PRO 28 10.095 9.142 -9.516 365 HG2 PRO 28 1HG PRO 28 11.569 11.240 -7.955 366 HG3 PRO 28 2HG PRO 28 10.626 11.412 -9.467 367 HD2 PRO 28 1HD PRO 28 9.598 11.985 -6.999 368 HD3 PRO 28 2HD PRO 28 8.580 11.331 -8.326 369 H LYS 29 H LYS 29 11.927 6.976 -7.155 370 HA LYS 29 HA LYS 29 13.451 8.340 -4.986 371 HB2 LYS 29 1HB LYS 29 12.365 5.496 -4.975 372 HB3 LYS 29 2HB LYS 29 13.650 6.055 -3.885 373 HG2 LYS 29 1HG LYS 29 12.192 7.641 -2.840 374 HG3 LYS 29 2HG LYS 29 10.973 7.444 -4.097 375 HD2 LYS 29 1HD LYS 29 10.511 5.167 -3.358 376 HD3 LYS 29 2HD LYS 29 11.732 5.331 -2.074 377 HE2 LYS 29 1HE LYS 29 9.434 5.770 -1.217 378 HE3 LYS 29 2HE LYS 29 10.478 7.197 -1.081 379 HZ1 LYS 29 3HZ LYS 29 9.436 8.090 -3.095 380 HZ2 LYS 29 1HZ LYS 29 8.292 7.792 -1.949 381 HZ3 LYS 29 2HZ LYS 29 8.465 6.769 -3.231 382 H THR 30 H THR 30 15.511 8.375 -5.451 383 HA THR 30 HA THR 30 16.878 6.420 -7.086 384 HB THR 30 HB THR 30 15.643 7.652 -8.869 385 HG1 THR 30 HG1 THR 30 17.632 8.455 -9.950 386 HG21 THR 30 1HG2 THR 30 17.119 10.154 -7.851 387 HG22 THR 30 2HG2 THR 30 15.369 9.884 -7.748 388 HG23 THR 30 3HG2 THR 30 16.147 10.051 -9.325 389 HXT THR 30 H02 THR 30 18.850 7.485 -7.691 Start of MODEL 50 1 H1 GLY 1 3H0 GLY 1 1.120 -2.114 -1.959 2 H2 GLY 1 2H0 GLY 1 0.656 -1.740 -0.421 3 H3 GLY 1 1H0 GLY 1 -0.447 -1.700 -1.649 4 HA2 GLY 1 1HA GLY 1 0.236 0.524 -0.998 5 HA3 GLY 1 2HA GLY 1 1.900 0.071 -1.422 6 H ILE 2 H ILE 2 -0.026 2.153 -2.567 7 HA ILE 2 HA ILE 2 -1.209 1.217 -4.905 8 HB ILE 2 HB ILE 2 -1.707 3.378 -3.791 9 HG12 ILE 2 1HG1 ILE 2 -1.016 3.658 -6.730 10 HG13 ILE 2 2HG1 ILE 2 -2.447 2.851 -6.094 11 HG21 ILE 2 1HG2 ILE 2 -0.352 5.369 -4.065 12 HG22 ILE 2 2HG2 ILE 2 0.716 4.104 -3.437 13 HG23 ILE 2 3HG2 ILE 2 0.770 4.541 -5.162 14 HD11 ILE 2 3HD1 ILE 2 -3.153 5.037 -5.049 15 HD12 ILE 2 1HD1 ILE 2 -1.776 5.821 -5.873 16 HD13 ILE 2 2HD1 ILE 2 -3.067 5.072 -6.824 17 H VAL 3 H VAL 3 2.119 2.506 -4.607 18 HA VAL 3 HA VAL 3 2.596 2.430 -7.421 19 HB VAL 3 HB VAL 3 3.952 3.789 -5.888 20 HG11 VAL 3 1HG1 VAL 3 5.626 2.829 -4.392 21 HG12 VAL 3 2HG1 VAL 3 4.014 2.230 -3.948 22 HG13 VAL 3 3HG1 VAL 3 5.148 1.183 -4.847 23 HG21 VAL 3 3HG2 VAL 3 4.885 3.092 -8.086 24 HG22 VAL 3 1HG2 VAL 3 6.149 3.349 -6.864 25 HG23 VAL 3 2HG2 VAL 3 5.659 1.696 -7.306 26 H GLU 4 H GLU 4 2.898 -0.064 -4.897 27 HA GLU 4 HA GLU 4 4.325 -1.937 -6.570 28 HB2 GLU 4 1HB GLU 4 2.482 -2.366 -4.192 29 HB3 GLU 4 2HB GLU 4 3.448 -3.635 -4.940 30 HG2 GLU 4 1HG GLU 4 5.469 -2.711 -4.192 31 HG3 GLU 4 2HG GLU 4 4.734 -1.137 -3.852 32 HE2 GLU 4 HE2 GLU 4 4.978 -3.738 -1.056 33 H GLN 5 H GLN 5 0.899 -1.296 -5.823 34 HA GLN 5 HA GLN 5 -0.175 -3.505 -7.265 35 HB2 GLN 5 1HB GLN 5 -1.305 -0.812 -6.457 36 HB3 GLN 5 2HB GLN 5 -2.279 -2.068 -7.236 37 HG2 GLN 5 1HG GLN 5 -2.122 -3.524 -5.400 38 HG3 GLN 5 2HG GLN 5 -0.685 -2.725 -4.753 39 HE21 GLN 5 2HE2 GLN 5 -4.153 -2.149 -5.383 40 HE22 GLN 5 1HE2 GLN 5 -4.393 -1.136 -3.980 41 H CYS 6 H CYS 6 0.915 -0.315 -8.364 42 HA CYS 6 HA CYS 6 -0.153 -0.802 -11.065 43 HB2 CYS 6 1HB CYS 6 1.638 1.353 -9.895 44 HB3 CYS 6 2HB CYS 6 1.183 1.270 -11.599 45 H CYS 7 H CYS 7 2.904 -1.253 -9.326 46 HA CYS 7 HA CYS 7 4.420 -1.453 -11.796 47 HB2 CYS 7 1HB CYS 7 4.988 -1.391 -8.923 48 HB3 CYS 7 2HB CYS 7 5.995 -2.546 -9.795 49 H THR 8 H THR 8 3.492 -3.831 -9.230 50 HA THR 8 HA THR 8 4.749 -5.953 -10.844 51 HB THR 8 HB THR 8 4.939 -5.746 -8.279 52 HG1 THR 8 HG1 THR 8 5.483 -7.632 -9.532 53 HG21 THR 8 1HG2 THR 8 3.238 -6.676 -6.907 54 HG22 THR 8 2HG2 THR 8 2.302 -7.242 -8.305 55 HG23 THR 8 3HG2 THR 8 2.401 -5.506 -7.944 56 H SER 9 H SER 9 1.639 -4.560 -10.380 57 HA SER 9 HA SER 9 0.516 -6.683 -12.108 58 HB2 SER 9 1HB SER 9 -1.571 -6.681 -10.649 59 HB3 SER 9 2HB SER 9 -0.142 -7.337 -9.826 60 HG SER 9 HG SER 9 -0.931 -4.610 -9.591 61 H ILE 10 H ILE 10 -2.032 -5.770 -12.453 62 HA ILE 10 HA ILE 10 -1.407 -3.208 -13.818 63 HB ILE 10 HB ILE 10 -3.950 -4.890 -14.046 64 HG12 ILE 10 1HG1 ILE 10 -1.982 -6.266 -14.694 65 HG13 ILE 10 2HG1 ILE 10 -3.118 -5.969 -16.000 66 HG21 ILE 10 1HG2 ILE 10 -4.223 -2.585 -14.838 67 HG22 ILE 10 2HG2 ILE 10 -2.747 -2.701 -15.825 68 HG23 ILE 10 3HG2 ILE 10 -4.186 -3.670 -16.235 69 HD11 ILE 10 3HD1 ILE 10 -1.659 -4.435 -17.079 70 HD12 ILE 10 1HD1 ILE 10 -0.584 -4.347 -15.673 71 HD13 ILE 10 2HD1 ILE 10 -0.682 -5.843 -16.631 72 H CYS 11 H CYS 11 -2.214 -1.299 -13.062 73 HA CYS 11 HA CYS 11 -4.445 -1.467 -11.085 74 HB2 CYS 11 1HB CYS 11 -3.712 0.649 -10.188 75 HB3 CYS 11 2HB CYS 11 -2.372 -0.492 -10.148 76 H SER 12 H SER 12 -6.285 -0.309 -11.595 77 HA SER 12 HA SER 12 -6.596 0.245 -14.441 78 HB2 SER 12 1HB SER 12 -8.955 0.595 -13.841 79 HB3 SER 12 2HB SER 12 -8.345 -0.899 -13.098 80 HG SER 12 HG SER 12 -9.389 0.181 -11.494 81 H LEU 13 H LEU 13 -7.858 2.300 -15.054 82 HA LEU 13 HA LEU 13 -6.279 4.570 -14.446 83 HB2 LEU 13 1HB LEU 13 -7.850 5.836 -15.713 84 HB3 LEU 13 2HB LEU 13 -7.635 4.275 -16.487 85 HG LEU 13 HG LEU 13 -9.870 3.787 -14.976 86 HD11 LEU 13 1HD1 LEU 13 -10.044 6.122 -14.218 87 HD12 LEU 13 2HD1 LEU 13 -11.383 5.718 -15.302 88 HD13 LEU 13 3HD1 LEU 13 -10.021 6.688 -15.906 89 HD21 LEU 13 3HD2 LEU 13 -11.112 4.049 -17.082 90 HD22 LEU 13 1HD2 LEU 13 -9.553 3.241 -17.340 91 HD23 LEU 13 2HD2 LEU 13 -9.749 4.958 -17.778 92 H TYR 14 H TYR 14 -9.151 3.275 -12.853 93 HA TYR 14 HA TYR 14 -9.827 5.636 -11.393 94 HB2 TYR 14 1HB TYR 14 -10.246 2.763 -10.536 95 HB3 TYR 14 2HB TYR 14 -11.207 4.175 -10.082 96 HD1 TYR 14 HD2 TYR 14 -12.398 5.442 -12.092 97 HD2 TYR 14 HD1 TYR 14 -10.900 1.415 -12.333 98 HE1 TYR 14 HE2 TYR 14 -13.870 5.007 -14.060 99 HE2 TYR 14 HE1 TYR 14 -12.358 0.999 -14.326 100 HH TYR 14 HH TYR 14 -14.570 3.479 -15.615 101 H GLN 15 H GLN 15 -7.618 2.925 -10.777 102 HA GLN 15 HA GLN 15 -6.971 3.728 -8.076 103 HB2 GLN 15 1HB GLN 15 -5.345 2.123 -10.080 104 HB3 GLN 15 2HB GLN 15 -5.032 2.228 -8.347 105 HG2 GLN 15 1HG GLN 15 -7.486 1.013 -9.678 106 HG3 GLN 15 2HG GLN 15 -6.158 0.129 -8.920 107 HE21 GLN 15 2HE2 GLN 15 -5.843 0.454 -6.574 108 HE22 GLN 15 1HE2 GLN 15 -7.253 0.781 -5.594 109 H LEU 16 H LEU 16 -5.684 4.368 -11.317 110 HA LEU 16 HA LEU 16 -3.394 5.851 -10.493 111 HB2 LEU 16 1HB LEU 16 -5.017 5.868 -13.036 112 HB3 LEU 16 2HB LEU 16 -3.588 6.867 -12.822 113 HG LEU 16 HG LEU 16 -3.582 3.840 -12.566 114 HD11 LEU 16 1HD1 LEU 16 -2.523 3.819 -14.779 115 HD12 LEU 16 2HD1 LEU 16 -2.742 5.581 -14.911 116 HD13 LEU 16 3HD1 LEU 16 -4.156 4.502 -14.856 117 HD21 LEU 16 3HD2 LEU 16 -1.727 4.901 -11.371 118 HD22 LEU 16 1HD2 LEU 16 -1.331 5.881 -12.802 119 HD23 LEU 16 2HD2 LEU 16 -1.125 4.114 -12.837 120 H GLU 17 H GLU 17 -6.790 6.851 -10.866 121 HA GLU 17 HA GLU 17 -6.399 9.647 -10.895 122 HB2 GLU 17 1HB GLU 17 -8.608 7.953 -9.723 123 HB3 GLU 17 2HB GLU 17 -8.657 9.713 -9.703 124 HG2 GLU 17 1HG GLU 17 -8.612 9.805 -12.120 125 HG3 GLU 17 2HG GLU 17 -8.406 8.058 -12.221 126 HE2 GLU 17 HE2 GLU 17 -11.925 9.444 -11.047 127 H ASN 18 H ASN 18 -5.944 7.435 -8.207 128 HA ASN 18 HA ASN 18 -6.225 9.348 -6.089 129 HB2 ASN 18 1HB ASN 18 -4.643 6.779 -6.307 130 HB3 ASN 18 2HB ASN 18 -4.744 7.731 -4.821 131 HD21 ASN 18 2HD2 ASN 18 -6.294 5.454 -6.857 132 HD22 ASN 18 1HD2 ASN 18 -7.761 5.292 -5.911 133 H TYR 19 H TYR 19 -3.613 8.794 -8.384 134 HA TYR 19 HA TYR 19 -1.551 10.140 -6.794 135 HB2 TYR 19 1HB TYR 19 -1.840 9.403 -9.702 136 HB3 TYR 19 2HB TYR 19 -0.424 10.214 -9.080 137 HD1 TYR 19 HD2 TYR 19 1.184 9.082 -7.627 138 HD2 TYR 19 HD1 TYR 19 -2.185 7.011 -9.298 139 HE1 TYR 19 HE2 TYR 19 2.287 6.901 -7.166 140 HE2 TYR 19 HE1 TYR 19 -1.082 4.832 -8.846 141 HH TYR 19 HH TYR 19 2.193 4.650 -7.414 142 H CYS 20 H CYS 20 -4.277 11.256 -8.592 143 HA CYS 20 HA CYS 20 -2.993 13.447 -9.942 144 HB2 CYS 20 1HB CYS 20 -5.918 13.097 -9.242 145 HB3 CYS 20 2HB CYS 20 -5.254 14.234 -10.416 146 H ASN 21 H ASN 21 -3.258 15.639 -9.645 147 HA ASN 21 HA ASN 21 -3.113 16.556 -6.866 148 HB2 ASN 21 1HB ASN 21 -1.617 17.593 -8.524 149 HB3 ASN 21 2HB ASN 21 -2.988 17.955 -9.575 150 HD21 ASN 21 2HD2 ASN 21 -3.448 20.002 -9.612 151 HD22 ASN 21 1HD2 ASN 21 -3.460 21.055 -8.211 152 HXT ASN 21 H02 ASN 21 -4.482 17.340 -5.908 153 H1 PHE 1 3H0 PHE 1 -9.194 3.448 -21.607 154 H2 PHE 1 2H0 PHE 1 -8.656 2.675 -22.963 155 H3 PHE 1 1H0 PHE 1 -9.392 1.817 -21.766 156 HA PHE 1 HA PHE 1 -6.801 3.201 -21.548 157 HB2 PHE 1 1HB PHE 1 -8.375 3.051 -19.495 158 HB3 PHE 1 2HB PHE 1 -8.048 1.315 -19.525 159 HD1 PHE 1 HD1 PHE 1 -6.368 4.672 -19.348 160 HD2 PHE 1 HD2 PHE 1 -6.091 0.458 -18.472 161 HE1 PHE 1 HE1 PHE 1 -4.263 5.076 -18.082 162 HE2 PHE 1 HE2 PHE 1 -3.990 0.862 -17.197 163 HZ PHE 1 HZ PHE 1 -3.062 3.170 -17.022 164 H VAL 2 H VAL 2 -4.992 1.547 -21.128 165 HA VAL 2 HA VAL 2 -5.632 -1.081 -22.381 166 HB VAL 2 HB VAL 2 -4.620 0.333 -24.156 167 HG11 VAL 2 1HG1 VAL 2 -2.316 1.189 -23.978 168 HG12 VAL 2 2HG1 VAL 2 -3.366 1.936 -22.761 169 HG13 VAL 2 3HG1 VAL 2 -2.233 0.648 -22.288 170 HG21 VAL 2 3HG2 VAL 2 -2.636 -1.744 -23.132 171 HG22 VAL 2 1HG2 VAL 2 -4.100 -2.092 -24.087 172 HG23 VAL 2 2HG2 VAL 2 -2.782 -1.142 -24.799 173 H ASN 3 H ASN 3 -4.650 -2.783 -21.332 174 HA ASN 3 HA ASN 3 -3.630 -2.113 -18.690 175 HB2 ASN 3 1HB ASN 3 -3.984 -4.770 -20.121 176 HB3 ASN 3 2HB ASN 3 -3.378 -4.603 -18.467 177 HD21 ASN 3 2HD2 ASN 3 -5.739 -6.019 -19.255 178 HD22 ASN 3 1HD2 ASN 3 -7.095 -5.212 -18.506 179 H GLN 4 H GLN 4 -1.636 -1.867 -18.087 180 HA GLN 4 HA GLN 4 0.481 -3.579 -19.090 181 HB2 GLN 4 1HB GLN 4 1.989 -1.644 -19.646 182 HB3 GLN 4 2HB GLN 4 0.688 -1.871 -20.820 183 HG2 GLN 4 1HG GLN 4 -0.575 -0.029 -19.834 184 HG3 GLN 4 2HG GLN 4 0.654 0.182 -18.589 185 HE21 GLN 4 2HE2 GLN 4 -0.395 1.127 -21.639 186 HE22 GLN 4 1HE2 GLN 4 1.035 2.001 -22.130 187 H HIS 5 H HIS 5 2.131 -3.564 -17.504 188 HA HIS 5 HA HIS 5 1.450 -2.428 -14.901 189 HB2 HIS 5 1HB HIS 5 4.085 -3.577 -15.910 190 HB3 HIS 5 2HB HIS 5 3.668 -3.231 -14.232 191 HD1 HIS 5 HD1 HIS 5 1.014 -4.513 -13.787 192 HD2 HIS 5 HD2 HIS 5 3.924 -6.283 -16.133 193 HE1 HIS 5 HE1 HIS 5 0.460 -7.015 -13.944 194 HE2 HIS 5 HE2 HIS 5 2.269 -8.059 -15.341 195 H LEU 6 H LEU 6 2.441 -0.644 -13.896 196 HA LEU 6 HA LEU 6 3.867 1.221 -15.768 197 HB2 LEU 6 1HB LEU 6 1.748 1.707 -13.666 198 HB3 LEU 6 2HB LEU 6 2.800 2.958 -14.237 199 HG LEU 6 HG LEU 6 1.047 3.514 -15.442 200 HD11 LEU 6 1HD1 LEU 6 0.994 2.637 -17.723 201 HD12 LEU 6 2HD1 LEU 6 2.016 1.272 -17.234 202 HD13 LEU 6 3HD1 LEU 6 2.647 2.932 -17.173 203 HD21 LEU 6 3HD2 LEU 6 0.162 0.625 -15.492 204 HD22 LEU 6 1HD2 LEU 6 -0.744 1.991 -16.180 205 HD23 LEU 6 2HD2 LEU 6 -0.446 1.916 -14.434 206 H CYS 7 H CYS 7 5.925 1.408 -15.130 207 HA CYS 7 HA CYS 7 6.409 1.990 -12.237 208 HB2 CYS 7 1HB CYS 7 8.129 0.289 -14.086 209 HB3 CYS 7 2HB CYS 7 8.627 0.863 -12.493 210 H GLY 8 H GLY 8 8.120 3.483 -11.863 211 HA2 GLY 8 1HA GLY 8 9.427 5.317 -12.368 212 HA3 GLY 8 2HA GLY 8 9.951 4.370 -13.766 213 H SER 9 H SER 9 9.986 5.703 -15.442 214 HA SER 9 HA SER 9 8.340 7.973 -15.784 215 HB2 SER 9 1HB SER 9 10.471 7.603 -16.966 216 HB3 SER 9 2HB SER 9 9.722 6.294 -17.908 217 HG SER 9 HG SER 9 9.765 8.399 -18.950 218 H HIS 10 H HIS 10 7.705 4.567 -16.723 219 HA HIS 10 HA HIS 10 5.570 5.199 -18.533 220 HB2 HIS 10 1HB HIS 10 6.544 2.787 -17.138 221 HB3 HIS 10 2HB HIS 10 4.810 2.794 -17.454 222 HD1 HIS 10 HD1 HIS 10 4.112 1.916 -19.722 223 HD2 HIS 10 HD2 HIS 10 8.043 3.404 -19.684 224 HE1 HIS 10 HE1 HIS 10 5.088 1.512 -22.035 225 HE2 HIS 10 HE2 HIS 10 7.452 2.413 -21.999 226 H LEU 11 H LEU 11 5.684 4.926 -15.001 227 HA LEU 11 HA LEU 11 2.818 4.962 -14.662 228 HB2 LEU 11 1HB LEU 11 4.464 4.196 -12.956 229 HB3 LEU 11 2HB LEU 11 5.036 5.844 -12.786 230 HG LEU 11 HG LEU 11 2.964 6.542 -11.760 231 HD11 LEU 11 1HD1 LEU 11 1.343 5.123 -12.953 232 HD12 LEU 11 2HD1 LEU 11 1.178 4.951 -11.198 233 HD13 LEU 11 3HD1 LEU 11 1.997 3.680 -12.133 234 HD21 LEU 11 3HD2 LEU 11 3.154 5.230 -9.717 235 HD22 LEU 11 1HD2 LEU 11 4.766 5.439 -10.428 236 HD23 LEU 11 2HD2 LEU 11 3.915 3.884 -10.602 237 H VAL 12 H VAL 12 5.365 7.445 -14.733 238 HA VAL 12 HA VAL 12 3.668 9.679 -14.207 239 HB VAL 12 HB VAL 12 6.268 9.502 -15.813 240 HG11 VAL 12 1HG1 VAL 12 6.556 11.870 -15.354 241 HG12 VAL 12 2HG1 VAL 12 5.031 11.602 -16.221 242 HG13 VAL 12 3HG1 VAL 12 5.012 11.913 -14.476 243 HG21 VAL 12 3HG2 VAL 12 7.339 10.230 -13.678 244 HG22 VAL 12 1HG2 VAL 12 5.767 10.068 -12.860 245 HG23 VAL 12 2HG2 VAL 12 6.572 8.639 -13.547 246 H GLU 13 H GLU 13 4.658 8.085 -17.259 247 HA GLU 13 HA GLU 13 3.420 9.959 -19.027 248 HB2 GLU 13 1HB GLU 13 4.103 7.015 -19.280 249 HB3 GLU 13 2HB GLU 13 3.434 7.956 -20.619 250 HG2 GLU 13 1HG GLU 13 5.361 9.410 -20.660 251 HG3 GLU 13 2HG GLU 13 6.005 8.694 -19.183 252 HE2 GLU 13 HE2 GLU 13 6.492 8.871 -22.118 253 H ALA 14 H ALA 14 2.183 7.092 -17.321 254 HA ALA 14 HA ALA 14 -0.323 7.039 -18.766 255 HB1 ALA 14 3HB ALA 14 0.430 5.923 -16.031 256 HB2 ALA 14 1HB ALA 14 -1.019 5.491 -16.972 257 HB3 ALA 14 2HB ALA 14 0.600 5.073 -17.585 258 H LEU 15 H LEU 15 0.847 8.519 -15.751 259 HA LEU 15 HA LEU 15 -1.719 9.360 -14.838 260 HB2 LEU 15 1HB LEU 15 1.104 10.240 -14.242 261 HB3 LEU 15 2HB LEU 15 -0.291 10.997 -13.477 262 HG LEU 15 HG LEU 15 0.296 8.031 -13.305 263 HD11 LEU 15 1HD1 LEU 15 2.071 9.353 -12.207 264 HD12 LEU 15 2HD1 LEU 15 1.083 8.445 -11.043 265 HD13 LEU 15 3HD1 LEU 15 0.829 10.192 -11.247 266 HD21 LEU 15 3HD2 LEU 15 -1.325 8.149 -11.456 267 HD22 LEU 15 1HD2 LEU 15 -2.038 8.561 -13.016 268 HD23 LEU 15 2HD2 LEU 15 -1.630 9.854 -11.869 269 H TYR 16 H TYR 16 0.539 10.884 -17.108 270 HA TYR 16 HA TYR 16 -0.643 13.485 -17.075 271 HB2 TYR 16 1HB TYR 16 0.759 11.858 -19.204 272 HB3 TYR 16 2HB TYR 16 -0.014 13.390 -19.613 273 HD1 TYR 16 HD1 TYR 16 0.628 15.470 -18.108 274 HD2 TYR 16 HD2 TYR 16 3.017 11.915 -18.483 275 HE1 TYR 16 HE1 TYR 16 2.642 16.736 -17.352 276 HE2 TYR 16 HE2 TYR 16 5.031 13.198 -17.756 277 HH TYR 16 HH TYR 16 5.855 15.211 -17.070 278 H LEU 17 H LEU 17 -1.590 10.475 -18.750 279 HA LEU 17 HA LEU 17 -3.733 11.752 -20.205 280 HB2 LEU 17 1HB LEU 17 -3.353 8.848 -19.432 281 HB3 LEU 17 2HB LEU 17 -4.504 9.467 -20.601 282 HG LEU 17 HG LEU 17 -1.487 9.673 -20.895 283 HD11 LEU 17 1HD1 LEU 17 -3.439 7.692 -22.133 284 HD12 LEU 17 2HD1 LEU 17 -2.238 7.326 -20.869 285 HD13 LEU 17 3HD1 LEU 17 -1.701 7.815 -22.489 286 HD21 LEU 17 3HD2 LEU 17 -3.753 10.139 -22.879 287 HD22 LEU 17 1HD2 LEU 17 -2.019 10.133 -23.278 288 HD23 LEU 17 2HD2 LEU 17 -2.672 11.377 -22.196 289 H VAL 18 H VAL 18 -3.611 9.834 -17.185 290 HA VAL 18 HA VAL 18 -6.490 9.742 -16.954 291 HB VAL 18 HB VAL 18 -4.310 9.207 -14.875 292 HG11 VAL 18 1HG1 VAL 18 -7.286 8.535 -14.844 293 HG12 VAL 18 2HG1 VAL 18 -6.086 7.894 -13.700 294 HG13 VAL 18 3HG1 VAL 18 -6.428 9.630 -13.737 295 HG21 VAL 18 3HG2 VAL 18 -4.128 7.698 -16.788 296 HG22 VAL 18 1HG2 VAL 18 -4.808 6.813 -15.416 297 HG23 VAL 18 2HG2 VAL 18 -5.870 7.354 -16.731 298 H CYS 19 H CYS 19 -3.954 11.741 -15.401 299 HA CYS 19 HA CYS 19 -6.010 13.151 -13.857 300 HB2 CYS 19 1HB CYS 19 -3.043 13.693 -14.155 301 HB3 CYS 19 2HB CYS 19 -4.131 14.416 -12.958 302 H GLY 20 H GLY 20 -4.568 13.448 -17.002 303 HA2 GLY 20 1HA GLY 20 -4.702 15.134 -18.558 304 HA3 GLY 20 2HA GLY 20 -6.271 15.462 -17.821 305 H GLU 21 H GLU 21 -6.460 17.558 -17.773 306 HA GLU 21 HA GLU 21 -4.277 19.389 -17.480 307 HB2 GLU 21 1HB GLU 21 -7.269 19.843 -17.145 308 HB3 GLU 21 2HB GLU 21 -6.048 21.093 -17.362 309 HG2 GLU 21 1HG GLU 21 -6.910 20.916 -19.504 310 HG3 GLU 21 2HG GLU 21 -5.494 19.862 -19.606 311 HE2 GLU 21 HE2 GLU 21 -8.028 18.006 -21.115 312 H ARG 22 H ARG 22 -6.031 17.662 -15.033 313 HA ARG 22 HA ARG 22 -5.944 19.761 -13.014 314 HB2 ARG 22 1HB ARG 22 -6.353 16.749 -12.869 315 HB3 ARG 22 2HB ARG 22 -6.317 17.784 -11.448 316 HG2 ARG 22 1HG ARG 22 -8.602 17.531 -11.880 317 HG3 ARG 22 2HG ARG 22 -8.212 19.132 -12.517 318 HD2 ARG 22 1HD ARG 22 -9.721 17.980 -14.039 319 HD3 ARG 22 2HD ARG 22 -8.149 18.199 -14.817 320 HE ARG 22 HE ARG 22 -8.253 15.645 -13.531 321 HH11 ARG 22 1HH1 ARG 22 -9.479 17.292 -16.404 322 HH12 ARG 22 2HH1 ARG 22 -9.609 15.811 -17.311 323 HH21 ARG 22 1HH2 ARG 22 -8.449 13.787 -14.758 324 HH22 ARG 22 2HH2 ARG 22 -9.041 13.867 -16.391 325 H GLY 23 H GLY 23 -3.708 17.428 -14.286 326 HA2 GLY 23 1HA GLY 23 -1.424 17.315 -13.884 327 HA3 GLY 23 2HA GLY 23 -1.593 18.527 -12.601 328 H PHE 24 H PHE 24 0.105 16.618 -11.998 329 HA PHE 24 HA PHE 24 -1.161 15.150 -9.823 330 HB2 PHE 24 1HB PHE 24 -0.499 12.941 -10.557 331 HB3 PHE 24 2HB PHE 24 -1.572 13.651 -11.755 332 HD1 PHE 24 HD1 PHE 24 -0.711 14.435 -13.928 333 HD2 PHE 24 HD2 PHE 24 1.783 12.415 -11.075 334 HE1 PHE 24 HE1 PHE 24 0.962 14.008 -15.698 335 HE2 PHE 24 HE2 PHE 24 3.446 11.952 -12.847 336 HZ PHE 24 HZ PHE 24 3.044 12.766 -15.182 337 H PHE 25 H PHE 25 0.680 13.710 -8.839 338 HA PHE 25 HA PHE 25 3.336 14.986 -9.263 339 HB2 PHE 25 1HB PHE 25 3.643 15.157 -6.827 340 HB3 PHE 25 2HB PHE 25 2.274 16.149 -7.348 341 HD1 PHE 25 HD1 PHE 25 -0.089 15.319 -6.958 342 HD2 PHE 25 HD2 PHE 25 3.356 13.362 -5.272 343 HE1 PHE 25 HE1 PHE 25 -1.568 14.116 -5.376 344 HE2 PHE 25 HE2 PHE 25 1.889 12.167 -3.656 345 HZ PHE 25 HZ PHE 25 -0.575 12.526 -3.710 346 H TYR 26 H TYR 26 5.043 13.564 -8.272 347 HA TYR 26 HA TYR 26 4.167 10.812 -7.678 348 HB2 TYR 26 1HB TYR 26 4.455 10.753 -10.112 349 HB3 TYR 26 2HB TYR 26 6.046 11.518 -9.970 350 HD1 TYR 26 HD1 TYR 26 4.208 8.521 -8.559 351 HD2 TYR 26 HD2 TYR 26 7.918 10.106 -10.069 352 HE1 TYR 26 HE1 TYR 26 5.295 6.295 -8.254 353 HE2 TYR 26 HE2 TYR 26 8.978 7.864 -9.799 354 HH TYR 26 HH TYR 26 8.710 5.705 -9.094 355 H THR 27 H THR 27 5.634 9.757 -6.383 356 HA THR 27 HA THR 27 7.869 11.435 -5.369 357 HB THR 27 HB THR 27 6.740 11.034 -3.438 358 HG1 THR 27 HG1 THR 27 8.602 9.914 -3.024 359 HG21 THR 27 1HG2 THR 27 4.813 10.004 -4.368 360 HG22 THR 27 2HG2 THR 27 5.386 8.949 -3.063 361 HG23 THR 27 3HG2 THR 27 5.719 8.516 -4.759 362 HA PRO 28 HA PRO 28 10.013 8.205 -7.703 363 HB2 PRO 28 1HB PRO 28 12.365 9.524 -8.071 364 HB3 PRO 28 2HB PRO 28 10.874 9.970 -8.963 365 HG2 PRO 28 1HG PRO 28 12.081 11.226 -6.532 366 HG3 PRO 28 2HG PRO 28 11.425 12.002 -8.005 367 HD2 PRO 28 1HD PRO 28 10.028 11.733 -5.646 368 HD3 PRO 28 2HD PRO 28 9.212 11.796 -7.242 369 H LYS 29 H LYS 29 11.811 6.780 -7.307 370 HA LYS 29 HA LYS 29 13.006 6.941 -4.580 371 HB2 LYS 29 1HB LYS 29 11.374 4.631 -5.713 372 HB3 LYS 29 2HB LYS 29 12.396 4.507 -4.270 373 HG2 LYS 29 1HG LYS 29 11.046 6.128 -3.087 374 HG3 LYS 29 2HG LYS 29 10.132 6.499 -4.555 375 HD2 LYS 29 1HD LYS 29 9.201 4.238 -4.592 376 HD3 LYS 29 2HD LYS 29 10.102 3.841 -3.111 377 HE2 LYS 29 1HE LYS 29 7.769 4.470 -2.582 378 HE3 LYS 29 2HE LYS 29 8.922 5.628 -1.891 379 HZ1 LYS 29 3HZ LYS 29 7.050 6.748 -2.960 380 HZ2 LYS 29 1HZ LYS 29 7.417 6.062 -4.415 381 HZ3 LYS 29 2HZ LYS 29 8.455 7.133 -3.724 382 H THR 30 H THR 30 15.075 7.173 -5.272 383 HA THR 30 HA THR 30 16.121 5.723 -7.563 384 HB THR 30 HB THR 30 18.288 6.820 -6.197 385 HG1 THR 30 HG1 THR 30 17.493 8.670 -5.191 386 HG21 THR 30 1HG2 THR 30 16.267 8.327 -7.980 387 HG22 THR 30 2HG2 THR 30 17.618 7.338 -8.580 388 HG23 THR 30 3HG2 THR 30 17.940 8.820 -7.669 389 HXT THR 30 H02 THR 30 15.444 3.909 -6.673
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