NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19033 | 2ec7 | 7384 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1HT ALA 1 14.154 -2.091 -17.879 2 H2 ALA 1 2HT ALA 1 13.226 -2.628 -19.196 3 H3 ALA 1 3HT ALA 1 12.469 -2.218 -17.732 4 HA ALA 1 HA ALA 1 13.958 -0.285 -19.437 5 HB1 ALA 1 3HB ALA 1 12.107 -0.901 -20.724 6 HB2 ALA 1 1HB ALA 1 11.429 0.411 -19.761 7 HB3 ALA 1 2HB ALA 1 11.122 -1.265 -19.309 8 H GLN 2 H GLN 2 10.944 0.179 -17.711 9 HA GLN 2 HA GLN 2 12.034 2.415 -16.201 10 HB2 GLN 2 2HB GLN 2 9.405 0.901 -16.203 11 HB3 GLN 2 1HB GLN 2 9.681 2.364 -15.257 12 HG2 GLN 2 2HG GLN 2 10.350 3.514 -17.413 13 HG3 GLN 2 1HG GLN 2 9.782 2.083 -18.272 14 HE21 GLN 2 1HE2 GLN 2 7.450 1.422 -16.897 15 HE22 GLN 2 2HE2 GLN 2 6.333 2.696 -16.995 16 H GLN 3 H GLN 3 13.764 1.094 -15.063 17 HA GLN 3 HA GLN 3 12.696 -0.620 -12.861 18 HB2 GLN 3 2HB GLN 3 14.893 -0.725 -14.656 19 HB3 GLN 3 1HB GLN 3 15.568 -0.486 -13.043 20 HG2 GLN 3 2HG GLN 3 13.476 -2.583 -13.677 21 HG3 GLN 3 1HG GLN 3 15.210 -2.910 -13.680 22 HE21 GLN 3 1HE2 GLN 3 16.277 -3.120 -11.643 23 HE22 GLN 3 2HE2 GLN 3 15.463 -3.029 -10.158 24 H ARG 4 H ARG 4 11.967 1.278 -11.604 25 HA ARG 4 HA ARG 4 13.980 2.207 -9.739 26 HB2 ARG 4 2HB ARG 4 14.354 4.358 -10.526 27 HB3 ARG 4 1HB ARG 4 14.120 3.520 -12.056 28 HG2 ARG 4 2HG ARG 4 11.900 4.932 -10.547 29 HG3 ARG 4 1HG ARG 4 12.823 5.666 -11.854 30 HD2 ARG 4 2HD ARG 4 11.804 4.375 -13.481 31 HD3 ARG 4 1HD ARG 4 11.582 2.995 -12.391 32 HE ARG 4 HE ARG 4 9.614 4.038 -11.507 33 HH11 ARG 4 1HH2 ARG 4 11.464 6.576 -12.693 34 HH12 ARG 4 2HH2 ARG 4 10.136 7.476 -13.338 35 HH21 ARG 4 1HH1 ARG 4 7.818 4.957 -12.801 36 HH22 ARG 4 2HH1 ARG 4 8.073 6.563 -13.398 37 H LYS 5 H LYS 5 12.965 2.959 -7.859 38 HA LYS 5 HA LYS 5 10.114 3.770 -7.956 39 HB2 LYS 5 2HB LYS 5 11.028 1.113 -7.447 40 HB3 LYS 5 1HB LYS 5 10.404 1.764 -5.932 41 HG2 LYS 5 2HG LYS 5 8.417 1.027 -6.815 42 HG3 LYS 5 1HG LYS 5 8.460 2.617 -7.580 43 HD2 LYS 5 2HD LYS 5 9.997 1.005 -9.265 44 HD3 LYS 5 1HD LYS 5 8.638 -0.021 -8.803 45 HE2 LYS 5 2HE LYS 5 8.138 2.831 -9.644 46 HE3 LYS 5 1HE LYS 5 8.340 1.560 -10.866 47 HZ1 LYS 5 3HZ LYS 5 6.738 0.239 -9.387 48 HZ2 LYS 5 1HZ LYS 5 6.085 1.459 -10.368 49 HZ3 LYS 5 2HZ LYS 5 6.328 1.742 -8.710 50 H VAL 6 H VAL 6 9.547 5.028 -6.140 51 HA VAL 6 HA VAL 6 11.797 5.798 -4.349 52 HB VAL 6 HB VAL 6 9.027 7.002 -4.495 53 HG11 VAL 6 1HG1 VAL 6 11.595 7.643 -3.267 54 HG12 VAL 6 2HG1 VAL 6 10.002 8.330 -2.951 55 HG13 VAL 6 3HG1 VAL 6 10.993 8.969 -4.263 56 HG21 VAL 6 3HG2 VAL 6 10.988 6.825 -6.619 57 HG22 VAL 6 1HG2 VAL 6 10.783 8.504 -6.122 58 HG23 VAL 6 2HG2 VAL 6 9.387 7.564 -6.652 59 H ILE 7 H ILE 7 11.005 6.275 -2.003 60 HA ILE 7 HA ILE 7 10.484 4.089 -0.522 61 HB ILE 7 HB ILE 7 10.268 6.936 -0.274 62 HG12 ILE 7 2HG1 ILE 7 11.784 5.220 0.873 63 HG13 ILE 7 1HG1 ILE 7 11.156 6.516 1.891 64 HG21 ILE 7 1HG2 ILE 7 8.070 5.370 1.097 65 HG22 ILE 7 2HG2 ILE 7 7.911 6.820 0.103 66 HG23 ILE 7 3HG2 ILE 7 8.647 6.923 1.703 67 HD11 ILE 7 3HD1 ILE 7 9.345 4.223 1.768 68 HD12 ILE 7 1HD1 ILE 7 9.987 5.070 3.176 69 HD13 ILE 7 2HD1 ILE 7 10.931 3.794 2.408 70 H ARG 8 H ARG 8 8.976 2.497 -0.978 71 HA ARG 8 HA ARG 8 6.371 3.136 -2.137 72 HB2 ARG 8 2HB ARG 8 6.109 0.718 -2.117 73 HB3 ARG 8 1HB ARG 8 7.759 1.094 -2.610 74 HG2 ARG 8 2HG ARG 8 8.332 0.885 -0.087 75 HG3 ARG 8 1HG ARG 8 6.783 0.050 0.041 76 HD2 ARG 8 2HD ARG 8 7.687 -1.842 -0.815 77 HD3 ARG 8 1HD ARG 8 8.285 -0.956 -2.232 78 HE ARG 8 HE ARG 8 9.988 -0.155 -0.202 79 HH11 ARG 8 1HH2 ARG 8 9.470 -2.815 1.061 80 HH12 ARG 8 2HH2 ARG 8 10.686 -3.811 0.335 81 HH21 ARG 8 1HH1 ARG 8 11.332 -1.590 -2.250 82 HH22 ARG 8 2HH1 ARG 8 11.741 -3.117 -1.541 83 H CYS 9 H CYS 9 4.620 3.689 -0.979 84 HA CYS 9 HA CYS 9 4.582 3.818 1.891 85 HB2 CYS 9 2HB CYS 9 3.250 5.413 0.889 86 HB3 CYS 9 1HB CYS 9 2.811 4.348 -0.444 87 H TRP 10 H TRP 10 4.598 1.999 3.077 88 HA TRP 10 HA TRP 10 3.452 -0.503 2.264 89 HB2 TRP 10 2HB TRP 10 5.264 -0.282 3.886 90 HB3 TRP 10 1HB TRP 10 4.250 0.685 4.939 91 HD1 TRP 10 HD TRP 10 5.276 -2.774 4.216 92 HE1 TRP 10 1HE TRP 10 3.934 -4.456 5.631 93 HE3 TRP 10 3HE TRP 10 1.630 0.298 6.008 94 HZ2 TRP 10 2HZ TRP 10 1.619 -4.486 7.309 95 HZ3 TRP 10 3HZ TRP 10 -0.126 -0.570 7.515 96 HH2 TRP 10 HH TRP 10 -0.132 -2.953 8.171 97 H ASN 11 H ASN 11 1.533 -1.451 3.258 98 HA ASN 11 HA ASN 11 -0.642 -1.422 4.282 99 HB2 ASN 11 2HB ASN 11 -1.238 0.401 5.517 100 HB3 ASN 11 1HB ASN 11 0.372 0.983 5.167 101 HD21 ASN 11 1HD2 ASN 11 -2.730 2.033 5.183 102 HD22 ASN 11 2HD2 ASN 11 -2.674 3.177 3.931 103 H CYS 12 H CYS 12 0.153 0.970 1.780 104 HA CYS 12 HA CYS 12 -2.245 0.024 0.240 105 HB2 CYS 12 2HB CYS 12 -2.451 2.339 -0.530 106 HB3 CYS 12 1HB CYS 12 -2.400 2.318 1.234 107 H GLY 13 H GLY 13 1.152 0.921 0.210 108 HA2 GLY 13 2HA GLY 13 2.800 0.240 -1.350 109 HA3 GLY 13 1HA GLY 13 1.525 -0.478 -2.334 110 H LYS 14 H LYS 14 2.833 2.706 -1.368 111 HA LYS 14 HA LYS 14 2.354 3.642 -4.160 112 HB2 LYS 14 2HB LYS 14 0.389 4.307 -2.914 113 HB3 LYS 14 1HB LYS 14 1.380 4.923 -1.590 114 HG2 LYS 14 2HG LYS 14 0.465 6.672 -3.226 115 HG3 LYS 14 1HG LYS 14 2.200 6.733 -2.911 116 HD2 LYS 14 2HD LYS 14 2.563 5.343 -4.970 117 HD3 LYS 14 1HD LYS 14 0.837 5.469 -5.308 118 HE2 LYS 14 2HE LYS 14 1.075 7.561 -6.151 119 HE3 LYS 14 1HE LYS 14 2.048 8.081 -4.761 120 HZ1 LYS 14 3HZ LYS 14 3.889 6.705 -5.717 121 HZ2 LYS 14 1HZ LYS 14 3.488 8.078 -6.629 122 HZ3 LYS 14 2HZ LYS 14 2.959 6.545 -7.130 123 H GLU 15 H GLU 15 4.387 4.259 -4.788 124 HA GLU 15 HA GLU 15 6.582 4.864 -3.107 125 HB2 GLU 15 2HB GLU 15 6.041 6.007 -5.861 126 HB3 GLU 15 1HB GLU 15 7.607 5.622 -5.153 127 HG2 GLU 15 2HG GLU 15 5.484 3.735 -6.166 128 HG3 GLU 15 1HG GLU 15 7.194 3.798 -6.584 129 H GLY 16 H GLY 16 6.219 6.446 -1.491 130 HA2 GLY 16 2HA GLY 16 6.506 9.170 -2.127 131 HA3 GLY 16 1HA GLY 16 4.773 8.887 -1.975 132 H HIS 17 H HIS 17 5.157 6.793 0.106 133 HA HIS 17 HA HIS 17 6.445 8.225 2.344 134 HB2 HIS 17 2HB HIS 17 4.190 8.214 3.568 135 HB3 HIS 17 1HB HIS 17 4.356 9.386 2.262 136 HD1 HIS 17 1HD HIS 17 3.558 8.222 -0.212 137 HD2 HIS 17 2HD HIS 17 1.845 6.811 3.318 138 HE1 HIS 17 1HE HIS 17 1.412 7.053 -0.873 139 H SER 18 H SER 18 5.060 6.804 4.415 140 HA SER 18 HA SER 18 5.803 3.973 3.736 141 HB2 SER 18 2HB SER 18 6.736 3.835 5.969 142 HB3 SER 18 1HB SER 18 7.385 5.281 5.192 143 HG SER 18 HG SER 18 6.650 6.161 6.980 144 H ALA 19 H ALA 19 4.998 3.091 6.409 145 HA ALA 19 HA ALA 19 2.089 2.842 5.922 146 HB1 ALA 19 3HB ALA 19 2.393 1.156 7.825 147 HB2 ALA 19 1HB ALA 19 4.112 1.538 7.762 148 HB3 ALA 19 2HB ALA 19 3.316 0.829 6.367 149 H ARG 20 H ARG 20 4.156 4.775 7.837 150 HA ARG 20 HA ARG 20 2.474 5.036 10.192 151 HB2 ARG 20 2HB ARG 20 4.780 5.488 10.423 152 HB3 ARG 20 1HB ARG 20 4.819 6.483 8.968 153 HG2 ARG 20 2HG ARG 20 3.990 8.336 10.044 154 HG3 ARG 20 1HG ARG 20 3.016 7.381 11.163 155 HD2 ARG 20 2HD ARG 20 4.650 7.935 12.675 156 HD3 ARG 20 1HD ARG 20 5.570 6.641 11.881 157 HE ARG 20 HE ARG 20 5.919 8.917 10.273 158 HH11 ARG 20 1HH1 ARG 20 5.798 9.797 13.336 159 HH12 ARG 20 2HH1 ARG 20 7.495 9.999 13.615 160 HH21 ARG 20 1HH2 ARG 20 8.438 8.381 10.697 161 HH22 ARG 20 2HH2 ARG 20 8.991 9.197 12.120 162 H GLN 21 H GLN 21 2.706 6.753 7.103 163 HA GLN 21 HA GLN 21 0.645 8.701 8.050 164 HB2 GLN 21 2HB GLN 21 2.542 9.800 7.173 165 HB3 GLN 21 1HB GLN 21 2.733 8.623 5.875 166 HG2 GLN 21 2HG GLN 21 0.873 9.486 4.672 167 HG3 GLN 21 1HG GLN 21 0.300 10.404 6.066 168 HE21 GLN 21 1HE2 GLN 21 0.494 12.545 5.256 169 HE22 GLN 21 2HE2 GLN 21 1.971 13.219 4.733 170 H CYS 22 H CYS 22 1.078 5.933 6.059 171 HA CYS 22 HA CYS 22 -1.209 6.547 4.283 172 HB2 CYS 22 2HB CYS 22 1.149 5.221 4.012 173 HB3 CYS 22 1HB CYS 22 0.053 3.875 4.320 174 H ARG 23 H ARG 23 -3.235 5.842 4.651 175 HA ARG 23 HA ARG 23 -3.747 3.413 6.247 176 HB2 ARG 23 2HB ARG 23 -3.791 6.040 7.335 177 HB3 ARG 23 1HB ARG 23 -5.471 5.514 7.192 178 HG2 ARG 23 2HG ARG 23 -3.239 3.950 8.515 179 HG3 ARG 23 1HG ARG 23 -4.527 4.816 9.355 180 HD2 ARG 23 2HD ARG 23 -5.217 2.723 7.289 181 HD3 ARG 23 1HD ARG 23 -4.845 2.251 8.959 182 HE ARG 23 HE ARG 23 -7.007 4.195 8.228 183 HH11 ARG 23 1HH1 ARG 23 -6.496 1.166 9.499 184 HH12 ARG 23 2HH1 ARG 23 -7.389 1.418 10.961 185 HH21 ARG 23 1HH2 ARG 23 -7.760 4.829 10.463 186 HH22 ARG 23 2HH2 ARG 23 -8.100 3.491 11.508 187 H ALA 24 H ALA 24 -4.145 4.696 3.473 188 HA ALA 24 HA ALA 24 -6.690 5.389 2.724 189 HB1 ALA 24 3HB ALA 24 -6.208 3.809 0.726 190 HB2 ALA 24 1HB ALA 24 -4.724 3.398 1.587 191 HB3 ALA 24 2HB ALA 24 -5.014 5.061 1.075 192 HA PRO 25 HA PRO 25 -9.499 2.167 3.758 193 HB2 PRO 25 2HB PRO 25 -11.137 2.094 1.568 194 HB3 PRO 25 1HB PRO 25 -11.172 3.415 2.755 195 HG2 PRO 25 2HG PRO 25 -9.897 3.318 0.069 196 HG3 PRO 25 1HG PRO 25 -10.737 4.653 0.873 197 HD2 PRO 25 2HD PRO 25 -8.016 4.455 0.708 198 HD3 PRO 25 1HD PRO 25 -8.867 5.315 2.012 199 H ARG 26 H ARG 26 -8.325 1.937 0.406 200 HA ARG 26 HA ARG 26 -8.814 -0.737 -0.137 201 HB2 ARG 26 2HB ARG 26 -6.827 -0.460 -1.669 202 HB3 ARG 26 1HB ARG 26 -8.011 0.842 -1.781 203 HG2 ARG 26 2HG ARG 26 -6.109 2.121 -1.553 204 HG3 ARG 26 1HG ARG 26 -6.473 1.878 0.154 205 HD2 ARG 26 2HD ARG 26 -4.110 1.365 -0.218 206 HD3 ARG 26 1HD ARG 26 -4.960 -0.158 0.101 207 HE ARG 26 HE ARG 26 -4.331 -0.782 -2.082 208 HH11 ARG 26 1HH2 ARG 26 -2.671 1.807 -2.290 209 HH12 ARG 26 2HH2 ARG 26 -3.293 2.466 -3.764 210 HH21 ARG 26 1HH1 ARG 26 -6.081 0.407 -3.817 211 HH22 ARG 26 2HH1 ARG 26 -5.223 1.672 -4.630 212 H ARG 27 H ARG 27 -6.645 0.600 2.159 213 HA ARG 27 HA ARG 27 -4.434 -0.828 2.480 214 HB2 ARG 27 2HB ARG 27 -6.296 0.473 4.132 215 HB3 ARG 27 1HB ARG 27 -5.912 -1.044 4.940 216 HG2 ARG 27 2HG ARG 27 -3.593 0.370 3.779 217 HG3 ARG 27 1HG ARG 27 -4.379 1.200 5.125 218 HD2 ARG 27 2HD ARG 27 -4.119 -1.657 5.657 219 HD3 ARG 27 1HD ARG 27 -2.544 -0.897 5.362 220 HE ARG 27 HE ARG 27 -3.079 0.736 7.135 221 HH11 ARG 27 1HH1 ARG 27 -6.096 -0.275 6.691 222 HH12 ARG 27 2HH1 ARG 27 -6.393 -0.878 8.286 223 HH21 ARG 27 1HH2 ARG 27 -3.060 -0.767 9.236 224 HH22 ARG 27 2HH2 ARG 27 -4.675 -1.155 9.729 225 H GLN 28 H GLN 28 -3.821 -2.793 3.595 226 HA GLN 28 HA GLN 28 -5.871 -4.973 3.588 227 HB2 GLN 28 2HB GLN 28 -3.955 -6.391 2.610 228 HB3 GLN 28 1HB GLN 28 -4.684 -5.213 1.520 229 HG2 GLN 28 2HG GLN 28 -2.851 -3.592 2.243 230 HG3 GLN 28 1HG GLN 28 -2.065 -4.968 3.017 231 HE21 GLN 28 1HE2 GLN 28 -0.567 -3.878 1.044 232 HE22 GLN 28 2HE2 GLN 28 -0.628 -4.806 -0.386 233 H GLY 29 H GLY 29 -5.923 -5.662 5.691 234 HA2 GLY 29 2HA GLY 29 -4.277 -5.070 7.793 235 HA3 GLY 29 1HA GLY 29 -5.072 -6.635 7.682 236 H CYS 30 H CYS 30 -3.884 -8.289 6.292 237 HA CYS 30 HA CYS 30 -1.125 -8.475 7.185 238 HB2 CYS 30 2HB CYS 30 -1.224 -10.605 6.005 239 HB3 CYS 30 1HB CYS 30 -2.743 -10.363 6.866 240 H TRP 31 H TRP 31 0.646 -8.940 5.532 241 HA TRP 31 HA TRP 31 0.278 -7.297 3.060 242 HB2 TRP 31 2HB TRP 31 1.767 -6.684 5.371 243 HB3 TRP 31 1HB TRP 31 2.954 -7.153 4.149 244 HD1 TRP 31 HD TRP 31 -0.353 -5.166 3.980 245 HE1 TRP 31 1HE TRP 31 0.070 -3.019 2.605 246 HE3 TRP 31 3HE TRP 31 4.598 -5.741 3.007 247 HZ2 TRP 31 2HZ TRP 31 2.248 -1.732 1.260 248 HZ3 TRP 31 3HZ TRP 31 5.839 -4.055 1.678 249 HH2 TRP 31 HH TRP 31 4.669 -2.049 0.804 250 H LYS 32 H LYS 32 1.905 -9.983 4.667 251 HA LYS 32 HA LYS 32 3.702 -10.730 2.596 252 HB2 LYS 32 2HB LYS 32 3.739 -11.656 4.859 253 HB3 LYS 32 1HB LYS 32 2.133 -12.350 4.633 254 HG2 LYS 32 2HG LYS 32 4.038 -13.989 4.330 255 HG3 LYS 32 1HG LYS 32 2.943 -13.872 2.951 256 HD2 LYS 32 2HD LYS 32 4.478 -12.397 1.785 257 HD3 LYS 32 1HD LYS 32 5.538 -12.327 3.194 258 HE2 LYS 32 2HE LYS 32 6.649 -14.045 2.166 259 HE3 LYS 32 1HE LYS 32 5.317 -15.051 2.770 260 HZ1 LYS 32 3HZ LYS 32 5.660 -15.163 0.309 261 HZ2 LYS 32 1HZ LYS 32 5.201 -13.534 0.222 262 HZ3 LYS 32 2HZ LYS 32 4.095 -14.695 0.781 263 H CYS 33 H CYS 33 0.240 -10.958 2.831 264 HA CYS 33 HA CYS 33 0.177 -12.448 0.229 265 HB2 CYS 33 2HB CYS 33 -1.928 -13.512 1.206 266 HB3 CYS 33 1HB CYS 33 -0.417 -13.995 1.978 267 H GLY 34 H GLY 34 -1.443 -10.187 2.442 268 HA2 GLY 34 2HA GLY 34 -2.613 -8.207 1.825 269 HA3 GLY 34 1HA GLY 34 -2.525 -8.713 0.136 270 H LYS 35 H LYS 35 -4.536 -8.532 2.870 271 HA LYS 35 HA LYS 35 -6.718 -9.879 1.382 272 HB2 LYS 35 2HB LYS 35 -5.318 -10.873 3.805 273 HB3 LYS 35 1HB LYS 35 -7.078 -11.005 3.818 274 HG2 LYS 35 2HG LYS 35 -6.617 -11.909 1.331 275 HG3 LYS 35 1HG LYS 35 -5.088 -12.374 2.077 276 HD2 LYS 35 2HD LYS 35 -6.589 -14.227 2.369 277 HD3 LYS 35 1HD LYS 35 -6.443 -13.439 3.940 278 HE2 LYS 35 2HE LYS 35 -8.803 -13.865 3.559 279 HE3 LYS 35 1HE LYS 35 -8.549 -12.121 3.345 280 HZ1 LYS 35 3HZ LYS 35 -9.260 -14.109 1.392 281 HZ2 LYS 35 1HZ LYS 35 -7.936 -13.166 0.910 282 HZ3 LYS 35 2HZ LYS 35 -9.406 -12.418 1.317 283 H THR 36 H THR 36 -6.411 -9.092 4.823 284 HA THR 36 HA THR 36 -7.739 -6.530 4.687 285 HB THR 36 HB THR 36 -9.514 -8.165 3.922 286 HG1 THR 36 1HG THR 36 -10.017 -6.190 5.001 287 HG21 THR 36 3HG2 THR 36 -8.533 -9.842 5.738 288 HG22 THR 36 1HG2 THR 36 -10.234 -9.894 5.272 289 HG23 THR 36 2HG2 THR 36 -9.750 -9.074 6.758 290 H GLY 37 H GLY 37 -9.137 -6.641 7.121 291 HA2 GLY 37 2HA GLY 37 -7.514 -6.015 9.148 292 HA3 GLY 37 1HA GLY 37 -8.898 -7.055 9.469 293 H HIS 38 H HIS 38 -8.095 -9.441 8.295 294 HA HIS 38 HA HIS 38 -6.561 -10.719 10.236 295 HB2 HIS 38 2HB HIS 38 -7.154 -12.424 8.869 296 HB3 HIS 38 1HB HIS 38 -7.704 -11.242 7.688 297 HD1 HIS 38 1HD HIS 38 -6.744 -11.852 5.476 298 HD2 HIS 38 2HD HIS 38 -3.982 -12.425 8.546 299 HE1 HIS 38 1HE HIS 38 -4.600 -12.625 4.373 300 H VAL 39 H VAL 39 -4.314 -11.155 10.476 301 HA VAL 39 HA VAL 39 -2.471 -9.632 8.671 302 HB VAL 39 HB VAL 39 -1.329 -8.793 10.656 303 HG11 VAL 39 1HG1 VAL 39 -3.603 -7.808 9.784 304 HG12 VAL 39 2HG1 VAL 39 -2.936 -7.230 11.311 305 HG13 VAL 39 3HG1 VAL 39 -4.239 -8.419 11.313 306 HG21 VAL 39 3HG2 VAL 39 -3.301 -9.733 12.613 307 HG22 VAL 39 1HG2 VAL 39 -1.540 -9.736 12.707 308 HG23 VAL 39 2HG2 VAL 39 -2.381 -11.050 11.887 309 H MET 40 H MET 40 -0.122 -10.376 9.103 310 HA MET 40 HA MET 40 0.258 -13.082 8.566 311 HB2 MET 40 2HB MET 40 1.877 -10.900 9.835 312 HB3 MET 40 1HB MET 40 2.557 -12.526 9.760 313 HG2 MET 40 2HG MET 40 1.546 -12.211 7.219 314 HG3 MET 40 1HG MET 40 2.101 -10.580 7.596 315 HE1 MET 40 3HE MET 40 3.570 -13.938 9.102 316 HE2 MET 40 1HE MET 40 4.621 -14.424 7.765 317 HE3 MET 40 2HE MET 40 2.879 -14.302 7.524 318 H ALA 41 H ALA 41 -0.006 -11.511 11.738 319 HA ALA 41 HA ALA 41 0.747 -13.608 13.463 320 HB1 ALA 41 3HB ALA 41 -1.712 -11.970 13.984 321 HB2 ALA 41 1HB ALA 41 -0.174 -11.130 13.772 322 HB3 ALA 41 2HB ALA 41 -0.361 -12.320 15.064 323 H LYS 42 H LYS 42 -2.107 -13.207 11.494 324 HA LYS 42 HA LYS 42 -3.055 -15.908 12.340 325 HB2 LYS 42 2HB LYS 42 -4.140 -13.251 12.881 326 HB3 LYS 42 1HB LYS 42 -5.325 -14.302 12.086 327 HG2 LYS 42 2HG LYS 42 -4.163 -15.981 13.956 328 HG3 LYS 42 1HG LYS 42 -4.225 -14.435 14.804 329 HD2 LYS 42 2HD LYS 42 -6.646 -15.329 13.280 330 HD3 LYS 42 1HD LYS 42 -6.311 -16.068 14.846 331 HE2 LYS 42 2HE LYS 42 -6.698 -14.105 16.008 332 HE3 LYS 42 1HE LYS 42 -6.144 -13.083 14.666 333 HZ1 LYS 42 3HZ LYS 42 -8.129 -13.217 13.608 334 HZ2 LYS 42 1HZ LYS 42 -8.706 -13.433 15.188 335 HZ3 LYS 42 2HZ LYS 42 -8.467 -14.782 14.181 336 H CYS 43 H CYS 43 -1.762 -14.832 9.864 337 HA CYS 43 HA CYS 43 -3.870 -14.621 7.842 338 HB2 CYS 43 2HB CYS 43 -1.578 -13.515 7.852 339 HB3 CYS 43 1HB CYS 43 -0.897 -15.105 7.511 340 HA PRO 44 HA PRO 44 -4.161 -19.036 7.413 341 HB2 PRO 44 2HB PRO 44 -5.917 -19.033 5.318 342 HB3 PRO 44 1HB PRO 44 -6.409 -18.702 6.989 343 HG2 PRO 44 2HG PRO 44 -5.963 -16.821 4.741 344 HG3 PRO 44 1HG PRO 44 -7.138 -16.748 6.061 345 HD2 PRO 44 2HD PRO 44 -4.803 -15.282 5.950 346 HD3 PRO 44 1HD PRO 44 -5.701 -15.650 7.438 347 H GLU 45 H GLU 45 -3.251 -16.787 4.886 348 HA GLU 45 HA GLU 45 -1.913 -17.065 2.957 349 HB2 GLU 45 2HB GLU 45 -0.997 -19.117 4.964 350 HB3 GLU 45 1HB GLU 45 -0.211 -19.007 3.388 351 HG2 GLU 45 2HG GLU 45 -0.219 -16.395 4.030 352 HG3 GLU 45 1HG GLU 45 -0.186 -17.078 5.656 353 H ARG 46 H ARG 46 -3.804 -17.706 1.653 354 HA ARG 46 HA ARG 46 -4.879 -19.150 0.129 355 HB2 ARG 46 2HB ARG 46 -2.375 -20.772 0.697 356 HB3 ARG 46 1HB ARG 46 -3.422 -20.951 -0.710 357 HG2 ARG 46 2HG ARG 46 -2.858 -18.234 -0.683 358 HG3 ARG 46 1HG ARG 46 -1.331 -18.970 -0.194 359 HD2 ARG 46 2HD ARG 46 -2.910 -19.491 -2.729 360 HD3 ARG 46 1HD ARG 46 -1.234 -18.931 -2.578 361 HE ARG 46 HE ARG 46 -0.705 -21.175 -1.574 362 HH11 ARG 46 1HH1 ARG 46 -3.968 -20.988 -2.488 363 HH12 ARG 46 2HH1 ARG 46 -4.005 -22.541 -3.252 364 HH21 ARG 46 1HH2 ARG 46 -0.598 -23.082 -2.934 365 HH22 ARG 46 2HH2 ARG 46 -2.102 -23.724 -3.506 366 H GLN 47 H GLN 47 -6.706 -19.957 1.133 367 HA GLN 47 HA GLN 47 -6.380 -22.468 2.743 368 HB2 GLN 47 2HB GLN 47 -6.918 -20.163 3.901 369 HB3 GLN 47 1HB GLN 47 -8.539 -20.436 3.261 370 HG2 GLN 47 2HG GLN 47 -8.760 -21.525 5.282 371 HG3 GLN 47 1HG GLN 47 -8.135 -22.861 4.313 372 HE21 GLN 47 1HE2 GLN 47 -6.562 -23.955 5.493 373 HE22 GLN 47 2HE2 GLN 47 -5.384 -23.217 6.467 374 H ALA 48 H ALA 48 -9.459 -22.237 2.979 375 HA ALA 48 HA ALA 48 -10.020 -23.566 0.372 376 HB1 ALA 48 3HB ALA 48 -12.024 -24.374 1.614 377 HB2 ALA 48 1HB ALA 48 -11.533 -23.399 3.000 378 HB3 ALA 48 2HB ALA 48 -10.526 -24.744 2.469 379 H GLY 49 H GLY 49 -9.796 -20.643 0.473 380 HA2 GLY 49 2HA GLY 49 -12.643 -19.926 -0.117 381 HA3 GLY 49 1HA GLY 49 -11.499 -18.778 0.581 Start of MODEL 2 1 H1 ALA 1 1HT ALA 1 20.207 14.211 3.328 2 H2 ALA 1 2HT ALA 1 18.641 13.557 3.254 3 H3 ALA 1 3HT ALA 1 18.857 15.239 3.362 4 HA ALA 1 HA ALA 1 18.277 14.402 1.079 5 HB1 ALA 1 3HB ALA 1 20.232 16.267 2.100 6 HB2 ALA 1 1HB ALA 1 19.170 16.444 0.702 7 HB3 ALA 1 2HB ALA 1 20.748 15.678 0.520 8 H GLN 2 H GLN 2 18.885 13.026 -0.606 9 HA GLN 2 HA GLN 2 20.040 11.263 -1.678 10 HB2 GLN 2 2HB GLN 2 21.877 13.290 -0.822 11 HB3 GLN 2 1HB GLN 2 22.655 11.719 -0.621 12 HG2 GLN 2 2HG GLN 2 22.056 11.138 -2.956 13 HG3 GLN 2 1HG GLN 2 21.330 12.734 -3.154 14 HE21 GLN 2 1HE2 GLN 2 23.831 11.433 -4.421 15 HE22 GLN 2 2HE2 GLN 2 25.057 12.578 -4.165 16 H GLN 3 H GLN 3 21.158 9.192 -1.186 17 HA GLN 3 HA GLN 3 21.459 7.284 0.181 18 HB2 GLN 3 2HB GLN 3 22.568 9.652 1.500 19 HB3 GLN 3 1HB GLN 3 22.133 8.384 2.646 20 HG2 GLN 3 2HG GLN 3 23.921 7.163 2.038 21 HG3 GLN 3 1HG GLN 3 23.414 7.204 0.349 22 HE21 GLN 3 1HE2 GLN 3 25.001 8.113 -0.957 23 HE22 GLN 3 2HE2 GLN 3 26.043 9.371 -0.498 24 H ARG 4 H ARG 4 20.757 6.440 2.499 25 HA ARG 4 HA ARG 4 18.961 5.934 3.954 26 HB2 ARG 4 2HB ARG 4 17.910 8.701 3.380 27 HB3 ARG 4 1HB ARG 4 17.911 7.816 4.904 28 HG2 ARG 4 2HG ARG 4 20.255 9.151 3.535 29 HG3 ARG 4 1HG ARG 4 19.589 9.499 5.128 30 HD2 ARG 4 2HD ARG 4 20.229 7.108 5.780 31 HD3 ARG 4 1HD ARG 4 21.168 7.059 4.274 32 HE ARG 4 HE ARG 4 21.641 8.998 6.501 33 HH11 ARG 4 1HH2 ARG 4 23.572 6.772 5.729 34 HH12 ARG 4 2HH2 ARG 4 24.736 7.647 4.792 35 HH21 ARG 4 1HH1 ARG 4 22.701 10.420 4.360 36 HH22 ARG 4 2HH1 ARG 4 24.244 9.711 4.017 37 H LYS 5 H LYS 5 16.530 5.657 3.902 38 HA LYS 5 HA LYS 5 15.557 5.526 1.068 39 HB2 LYS 5 2HB LYS 5 15.593 3.733 3.371 40 HB3 LYS 5 1HB LYS 5 13.966 3.909 2.709 41 HG2 LYS 5 2HG LYS 5 15.187 3.592 0.398 42 HG3 LYS 5 1HG LYS 5 16.443 2.846 1.387 43 HD2 LYS 5 2HD LYS 5 13.607 2.018 1.854 44 HD3 LYS 5 1HD LYS 5 14.429 1.402 0.421 45 HE2 LYS 5 2HE LYS 5 16.271 0.544 1.836 46 HE3 LYS 5 1HE LYS 5 15.434 1.151 3.280 47 HZ1 LYS 5 3HZ LYS 5 14.532 -0.932 1.379 48 HZ2 LYS 5 1HZ LYS 5 13.444 -0.133 2.405 49 HZ3 LYS 5 2HZ LYS 5 14.711 -1.052 3.064 50 H VAL 6 H VAL 6 13.039 5.657 1.001 51 HA VAL 6 HA VAL 6 12.219 7.973 2.701 52 HB VAL 6 HB VAL 6 10.959 6.950 0.146 53 HG11 VAL 6 1HG1 VAL 6 11.040 9.701 1.425 54 HG12 VAL 6 2HG1 VAL 6 9.681 8.582 1.532 55 HG13 VAL 6 3HG1 VAL 6 10.150 9.253 -0.030 56 HG21 VAL 6 3HG2 VAL 6 13.031 7.409 -0.735 57 HG22 VAL 6 1HG2 VAL 6 13.484 8.456 0.609 58 HG23 VAL 6 2HG2 VAL 6 12.432 9.066 -0.668 59 H ILE 7 H ILE 7 11.964 5.912 4.237 60 HA ILE 7 HA ILE 7 10.517 4.311 5.271 61 HB ILE 7 HB ILE 7 8.722 6.690 4.758 62 HG12 ILE 7 2HG1 ILE 7 11.289 6.486 6.072 63 HG13 ILE 7 1HG1 ILE 7 10.284 7.911 5.841 64 HG21 ILE 7 1HG2 ILE 7 7.753 4.582 5.809 65 HG22 ILE 7 2HG2 ILE 7 7.612 6.045 6.785 66 HG23 ILE 7 3HG2 ILE 7 8.853 4.850 7.161 67 HD11 ILE 7 3HD1 ILE 7 9.026 7.402 7.868 68 HD12 ILE 7 1HD1 ILE 7 10.748 7.440 8.245 69 HD13 ILE 7 2HD1 ILE 7 9.916 5.894 8.074 70 H ARG 8 H ARG 8 9.943 2.524 3.981 71 HA ARG 8 HA ARG 8 8.101 2.777 1.715 72 HB2 ARG 8 2HB ARG 8 10.057 1.106 2.187 73 HB3 ARG 8 1HB ARG 8 8.866 0.236 3.156 74 HG2 ARG 8 2HG ARG 8 7.432 0.697 0.883 75 HG3 ARG 8 1HG ARG 8 9.057 0.527 0.220 76 HD2 ARG 8 2HD ARG 8 8.158 -1.477 2.263 77 HD3 ARG 8 1HD ARG 8 7.551 -1.627 0.602 78 HE ARG 8 HE ARG 8 10.366 -1.898 1.438 79 HH11 ARG 8 1HH1 ARG 8 8.246 -3.113 -0.710 80 HH12 ARG 8 2HH1 ARG 8 9.216 -2.903 -2.129 81 HH21 ARG 8 1HH2 ARG 8 11.555 -0.885 -0.555 82 HH22 ARG 8 2HH2 ARG 8 11.089 -1.642 -2.042 83 H CYS 9 H CYS 9 6.045 3.419 2.378 84 HA CYS 9 HA CYS 9 4.782 2.722 4.839 85 HB2 CYS 9 2HB CYS 9 4.155 4.628 3.458 86 HB3 CYS 9 1HB CYS 9 3.688 3.553 2.137 87 H TRP 10 H TRP 10 3.189 1.188 5.306 88 HA TRP 10 HA TRP 10 3.202 -1.302 3.694 89 HB2 TRP 10 2HB TRP 10 2.077 -0.491 6.398 90 HB3 TRP 10 1HB TRP 10 1.918 -2.101 5.722 91 HD1 TRP 10 HD TRP 10 3.747 -3.731 6.219 92 HE1 TRP 10 1HE TRP 10 6.093 -3.619 7.264 93 HE3 TRP 10 3HE TRP 10 4.297 1.323 6.567 94 HZ2 TRP 10 2HZ TRP 10 7.958 -1.625 8.145 95 HZ3 TRP 10 3HZ TRP 10 6.351 2.304 7.518 96 HH2 TRP 10 HH TRP 10 8.172 0.842 8.308 97 H ASN 11 H ASN 11 0.913 0.741 5.414 98 HA ASN 11 HA ASN 11 -1.533 -0.018 4.750 99 HB2 ASN 11 2HB ASN 11 -1.106 2.015 5.946 100 HB3 ASN 11 1HB ASN 11 -0.348 2.750 4.533 101 HD21 ASN 11 1HD2 ASN 11 -3.382 0.848 4.607 102 HD22 ASN 11 2HD2 ASN 11 -4.372 2.109 4.057 103 H CYS 12 H CYS 12 -0.155 2.425 2.560 104 HA CYS 12 HA CYS 12 -1.778 1.303 0.348 105 HB2 CYS 12 2HB CYS 12 -1.424 3.434 -0.650 106 HB3 CYS 12 1HB CYS 12 -1.600 3.753 1.074 107 H GLY 13 H GLY 13 1.441 1.171 1.519 108 HA2 GLY 13 2HA GLY 13 3.293 -0.009 0.669 109 HA3 GLY 13 1HA GLY 13 2.280 -0.526 -0.678 110 H LYS 14 H LYS 14 4.201 2.202 0.531 111 HA LYS 14 HA LYS 14 5.353 2.753 -2.038 112 HB2 LYS 14 2HB LYS 14 2.704 3.505 -1.830 113 HB3 LYS 14 1HB LYS 14 3.553 5.002 -1.442 114 HG2 LYS 14 2HG LYS 14 3.933 3.296 -3.919 115 HG3 LYS 14 1HG LYS 14 3.209 4.901 -3.848 116 HD2 LYS 14 2HD LYS 14 5.923 4.683 -2.681 117 HD3 LYS 14 1HD LYS 14 5.829 4.468 -4.428 118 HE2 LYS 14 2HE LYS 14 4.836 6.622 -4.743 119 HE3 LYS 14 1HE LYS 14 4.509 6.800 -3.008 120 HZ1 LYS 14 3HZ LYS 14 7.160 6.687 -4.340 121 HZ2 LYS 14 1HZ LYS 14 6.957 6.556 -2.661 122 HZ3 LYS 14 2HZ LYS 14 6.503 7.984 -3.462 123 H GLU 15 H GLU 15 7.229 3.797 -1.531 124 HA GLU 15 HA GLU 15 7.861 4.753 1.075 125 HB2 GLU 15 2HB GLU 15 9.038 4.512 -1.567 126 HB3 GLU 15 1HB GLU 15 9.544 6.013 -0.793 127 HG2 GLU 15 2HG GLU 15 10.812 4.928 0.735 128 HG3 GLU 15 1HG GLU 15 9.567 3.715 1.029 129 H GLY 16 H GLY 16 7.933 6.887 1.918 130 HA2 GLY 16 2HA GLY 16 7.884 9.356 1.030 131 HA3 GLY 16 1HA GLY 16 6.309 8.872 0.402 132 H HIS 17 H HIS 17 6.139 7.085 2.961 133 HA HIS 17 HA HIS 17 5.869 9.080 5.100 134 HB2 HIS 17 2HB HIS 17 3.330 8.469 5.200 135 HB3 HIS 17 1HB HIS 17 3.864 9.654 4.010 136 HD1 HIS 17 1HD HIS 17 4.259 8.687 1.520 137 HD2 HIS 17 2HD HIS 17 2.139 6.204 4.110 138 HE1 HIS 17 1HE HIS 17 3.091 6.970 0.070 139 H SER 18 H SER 18 4.202 7.775 6.813 140 HA SER 18 HA SER 18 5.618 5.178 7.239 141 HB2 SER 18 2HB SER 18 4.357 5.760 9.576 142 HB3 SER 18 1HB SER 18 5.960 6.371 9.165 143 HG SER 18 HG SER 18 4.685 8.105 9.734 144 H ALA 19 H ALA 19 4.172 3.523 8.441 145 HA ALA 19 HA ALA 19 1.725 3.130 6.855 146 HB1 ALA 19 3HB ALA 19 2.609 1.065 7.131 147 HB2 ALA 19 1HB ALA 19 1.954 1.115 8.763 148 HB3 ALA 19 2HB ALA 19 3.623 1.597 8.469 149 H ARG 20 H ARG 20 2.506 4.616 9.807 150 HA ARG 20 HA ARG 20 -0.029 3.971 11.173 151 HB2 ARG 20 2HB ARG 20 2.074 4.225 12.409 152 HB3 ARG 20 1HB ARG 20 2.273 5.858 11.772 153 HG2 ARG 20 2HG ARG 20 0.153 6.527 12.879 154 HG3 ARG 20 1HG ARG 20 0.015 4.906 13.560 155 HD2 ARG 20 2HD ARG 20 1.079 6.709 15.076 156 HD3 ARG 20 1HD ARG 20 1.996 5.200 14.890 157 HE ARG 20 HE ARG 20 3.472 6.335 13.325 158 HH11 ARG 20 1HH1 ARG 20 0.756 8.274 13.448 159 HH12 ARG 20 2HH1 ARG 20 1.608 9.776 13.580 160 HH21 ARG 20 1HH2 ARG 20 4.700 8.283 14.060 161 HH22 ARG 20 2HH2 ARG 20 3.842 9.781 13.926 162 H GLN 21 H GLN 21 1.395 6.617 9.302 163 HA GLN 21 HA GLN 21 -0.869 8.423 9.872 164 HB2 GLN 21 2HB GLN 21 0.447 9.989 8.559 165 HB3 GLN 21 1HB GLN 21 1.544 9.121 9.633 166 HG2 GLN 21 2HG GLN 21 2.321 7.717 7.870 167 HG3 GLN 21 1HG GLN 21 1.007 8.209 6.801 168 HE21 GLN 21 1HE2 GLN 21 4.109 9.218 8.174 169 HE22 GLN 21 2HE2 GLN 21 4.321 10.569 7.153 170 H CYS 22 H CYS 22 0.223 6.251 7.319 171 HA CYS 22 HA CYS 22 -1.780 7.245 5.389 172 HB2 CYS 22 2HB CYS 22 0.687 5.918 5.317 173 HB3 CYS 22 1HB CYS 22 -0.482 4.698 4.811 174 H ARG 23 H ARG 23 -3.768 6.405 5.153 175 HA ARG 23 HA ARG 23 -4.410 3.855 6.581 176 HB2 ARG 23 2HB ARG 23 -5.653 5.362 7.785 177 HB3 ARG 23 1HB ARG 23 -5.581 6.576 6.511 178 HG2 ARG 23 2HG ARG 23 -7.887 5.819 6.817 179 HG3 ARG 23 1HG ARG 23 -7.293 5.311 5.236 180 HD2 ARG 23 2HD ARG 23 -8.068 3.249 5.884 181 HD3 ARG 23 1HD ARG 23 -6.552 3.175 6.804 182 HE ARG 23 HE ARG 23 -9.090 3.294 8.022 183 HH11 ARG 23 1HH2 ARG 23 -6.071 3.418 9.076 184 HH12 ARG 23 2HH2 ARG 23 -6.256 4.699 10.228 185 HH21 ARG 23 1HH1 ARG 23 -9.367 5.668 9.048 186 HH22 ARG 23 2HH1 ARG 23 -8.121 5.972 10.212 187 H ALA 24 H ALA 24 -4.371 5.583 3.601 188 HA ALA 24 HA ALA 24 -5.355 5.124 1.480 189 HB1 ALA 24 3HB ALA 24 -5.079 2.234 2.156 190 HB2 ALA 24 1HB ALA 24 -3.637 3.231 2.348 191 HB3 ALA 24 2HB ALA 24 -4.436 3.127 0.779 192 HA PRO 25 HA PRO 25 -9.481 3.566 1.729 193 HB2 PRO 25 2HB PRO 25 -9.805 1.720 -0.255 194 HB3 PRO 25 1HB PRO 25 -9.583 3.450 -0.576 195 HG2 PRO 25 2HG PRO 25 -7.685 1.218 -0.892 196 HG3 PRO 25 1HG PRO 25 -7.779 2.754 -1.760 197 HD2 PRO 25 2HD PRO 25 -5.988 2.103 0.302 198 HD3 PRO 25 1HD PRO 25 -6.284 3.719 -0.372 199 H ARG 26 H ARG 26 -8.622 0.391 0.532 200 HA ARG 26 HA ARG 26 -9.867 -0.920 2.720 201 HB2 ARG 26 2HB ARG 26 -9.828 -2.699 1.275 202 HB3 ARG 26 1HB ARG 26 -9.543 -1.396 0.127 203 HG2 ARG 26 2HG ARG 26 -7.493 -3.235 1.375 204 HG3 ARG 26 1HG ARG 26 -7.904 -3.082 -0.329 205 HD2 ARG 26 2HD ARG 26 -7.069 -0.525 0.806 206 HD3 ARG 26 1HD ARG 26 -5.812 -1.757 0.951 207 HE ARG 26 HE ARG 26 -7.228 -1.230 -1.631 208 HH11 ARG 26 1HH1 ARG 26 -4.367 -0.864 0.149 209 HH12 ARG 26 2HH1 ARG 26 -3.312 -1.358 -1.134 210 HH21 ARG 26 1HH2 ARG 26 -5.894 -2.279 -3.258 211 HH22 ARG 26 2HH2 ARG 26 -4.178 -2.162 -3.061 212 H ARG 27 H ARG 27 -6.634 0.180 2.356 213 HA ARG 27 HA ARG 27 -4.671 -0.291 3.609 214 HB2 ARG 27 2HB ARG 27 -6.785 -1.533 5.393 215 HB3 ARG 27 1HB ARG 27 -5.143 -1.120 5.888 216 HG2 ARG 27 2HG ARG 27 -5.611 1.234 5.151 217 HG3 ARG 27 1HG ARG 27 -7.301 0.768 4.949 218 HD2 ARG 27 2HD ARG 27 -7.425 1.456 7.162 219 HD3 ARG 27 1HD ARG 27 -6.845 -0.193 7.456 220 HE ARG 27 HE ARG 27 -4.707 1.737 6.910 221 HH11 ARG 27 1HH2 ARG 27 -5.963 -0.590 9.011 222 HH12 ARG 27 2HH2 ARG 27 -5.202 0.040 10.430 223 HH21 ARG 27 1HH1 ARG 27 -4.019 2.896 8.863 224 HH22 ARG 27 2HH1 ARG 27 -4.100 2.008 10.348 225 H GLN 28 H GLN 28 -3.241 -2.088 4.176 226 HA GLN 28 HA GLN 28 -3.883 -4.526 2.642 227 HB2 GLN 28 2HB GLN 28 -1.644 -4.407 2.306 228 HB3 GLN 28 1HB GLN 28 -1.579 -2.998 3.351 229 HG2 GLN 28 2HG GLN 28 -1.643 -5.671 4.680 230 HG3 GLN 28 1HG GLN 28 -0.165 -5.210 3.850 231 HE21 GLN 28 1HE2 GLN 28 -2.473 -3.079 5.598 232 HE22 GLN 28 2HE2 GLN 28 -1.322 -2.509 6.719 233 H GLY 29 H GLY 29 -5.284 -5.830 3.753 234 HA2 GLY 29 2HA GLY 29 -5.930 -6.065 6.380 235 HA3 GLY 29 1HA GLY 29 -5.793 -7.503 5.368 236 H CYS 30 H CYS 30 -3.873 -8.764 5.492 237 HA CYS 30 HA CYS 30 -2.581 -8.860 8.043 238 HB2 CYS 30 2HB CYS 30 -2.889 -10.484 5.906 239 HB3 CYS 30 1HB CYS 30 -1.234 -9.945 5.636 240 H TRP 31 H TRP 31 -0.767 -7.800 8.774 241 HA TRP 31 HA TRP 31 0.377 -5.667 7.123 242 HB2 TRP 31 2HB TRP 31 0.118 -6.444 9.894 243 HB3 TRP 31 1HB TRP 31 1.773 -5.940 9.538 244 HD1 TRP 31 HD TRP 31 -1.689 -4.674 8.378 245 HE1 TRP 31 1HE TRP 31 -1.710 -2.092 8.616 246 HE3 TRP 31 3HE TRP 31 2.978 -3.974 10.243 247 HZ2 TRP 31 2HZ TRP 31 0.068 -0.010 9.512 248 HZ3 TRP 31 3HZ TRP 31 3.812 -1.697 10.786 249 HH2 TRP 31 HH TRP 31 2.363 0.282 10.419 250 H LYS 32 H LYS 32 2.031 -8.174 9.081 251 HA LYS 32 HA LYS 32 4.379 -7.948 7.355 252 HB2 LYS 32 2HB LYS 32 5.225 -9.706 8.962 253 HB3 LYS 32 1HB LYS 32 4.650 -8.228 9.735 254 HG2 LYS 32 2HG LYS 32 2.427 -10.008 9.399 255 HG3 LYS 32 1HG LYS 32 3.744 -10.887 10.177 256 HD2 LYS 32 2HD LYS 32 2.918 -8.133 11.093 257 HD3 LYS 32 1HD LYS 32 2.147 -9.590 11.722 258 HE2 LYS 32 2HE LYS 32 4.165 -10.377 12.698 259 HE3 LYS 32 1HE LYS 32 5.159 -9.270 11.732 260 HZ1 LYS 32 3HZ LYS 32 3.122 -7.908 13.215 261 HZ2 LYS 32 1HZ LYS 32 4.789 -7.604 13.148 262 HZ3 LYS 32 2HZ LYS 32 4.180 -8.762 14.233 263 H CYS 33 H CYS 33 1.969 -8.962 5.979 264 HA CYS 33 HA CYS 33 3.084 -11.585 5.090 265 HB2 CYS 33 2HB CYS 33 0.167 -11.111 5.741 266 HB3 CYS 33 1HB CYS 33 0.922 -12.643 5.324 267 H GLY 34 H GLY 34 0.143 -9.629 4.489 268 HA2 GLY 34 2HA GLY 34 -0.132 -8.272 2.463 269 HA3 GLY 34 1HA GLY 34 1.006 -9.346 1.650 270 H LYS 35 H LYS 35 -2.073 -9.755 3.466 271 HA LYS 35 HA LYS 35 -3.159 -11.237 1.110 272 HB2 LYS 35 2HB LYS 35 -2.378 -12.259 3.762 273 HB3 LYS 35 1HB LYS 35 -3.998 -12.739 3.258 274 HG2 LYS 35 2HG LYS 35 -1.819 -12.945 1.230 275 HG3 LYS 35 1HG LYS 35 -1.829 -14.135 2.532 276 HD2 LYS 35 2HD LYS 35 -3.747 -15.128 1.793 277 HD3 LYS 35 1HD LYS 35 -4.455 -13.599 1.270 278 HE2 LYS 35 2HE LYS 35 -2.106 -14.765 -0.225 279 HE3 LYS 35 1HE LYS 35 -3.759 -15.303 -0.580 280 HZ1 LYS 35 3HZ LYS 35 -2.523 -12.713 -1.032 281 HZ2 LYS 35 1HZ LYS 35 -4.096 -12.659 -0.400 282 HZ3 LYS 35 2HZ LYS 35 -3.796 -13.468 -1.864 283 H THR 36 H THR 36 -5.539 -12.075 2.270 284 HA THR 36 HA THR 36 -6.791 -9.543 3.287 285 HB THR 36 HB THR 36 -8.713 -10.141 1.808 286 HG1 THR 36 1HG THR 36 -8.733 -12.003 0.861 287 HG21 THR 36 3HG2 THR 36 -6.339 -8.960 1.114 288 HG22 THR 36 1HG2 THR 36 -7.766 -9.019 0.080 289 HG23 THR 36 2HG2 THR 36 -6.486 -10.216 -0.115 290 H GLY 37 H GLY 37 -8.740 -9.927 4.596 291 HA2 GLY 37 2HA GLY 37 -10.119 -11.172 6.059 292 HA3 GLY 37 1HA GLY 37 -9.474 -12.652 5.344 293 H HIS 38 H HIS 38 -6.829 -12.576 5.812 294 HA HIS 38 HA HIS 38 -6.676 -12.818 8.750 295 HB2 HIS 38 2HB HIS 38 -5.731 -14.640 7.633 296 HB3 HIS 38 1HB HIS 38 -5.099 -13.639 6.329 297 HD1 HIS 38 1HD HIS 38 -2.765 -14.857 6.788 298 HD2 HIS 38 2HD HIS 38 -4.117 -12.402 9.873 299 HE1 HIS 38 1HE HIS 38 -0.776 -14.445 8.299 300 H VAL 39 H VAL 39 -6.626 -10.603 9.436 301 HA VAL 39 HA VAL 39 -4.403 -8.909 8.388 302 HB VAL 39 HB VAL 39 -5.679 -7.092 9.366 303 HG11 VAL 39 1HG1 VAL 39 -6.511 -7.994 7.220 304 HG12 VAL 39 2HG1 VAL 39 -7.835 -7.380 8.209 305 HG13 VAL 39 3HG1 VAL 39 -7.548 -9.117 8.098 306 HG21 VAL 39 3HG2 VAL 39 -6.589 -9.190 11.109 307 HG22 VAL 39 1HG2 VAL 39 -7.990 -8.414 10.370 308 HG23 VAL 39 2HG2 VAL 39 -6.823 -7.450 11.272 309 H MET 40 H MET 40 -3.231 -7.604 10.117 310 HA MET 40 HA MET 40 -1.851 -9.180 11.969 311 HB2 MET 40 2HB MET 40 -1.113 -7.063 12.865 312 HB3 MET 40 1HB MET 40 -1.401 -6.816 11.143 313 HG2 MET 40 2HG MET 40 -2.671 -5.057 11.824 314 HG3 MET 40 1HG MET 40 -3.879 -6.287 12.189 315 HE1 MET 40 3HE MET 40 -3.071 -3.364 13.163 316 HE2 MET 40 1HE MET 40 -1.417 -3.594 13.747 317 HE3 MET 40 2HE MET 40 -2.713 -3.229 14.883 318 H ALA 41 H ALA 41 -5.029 -7.749 12.249 319 HA ALA 41 HA ALA 41 -5.486 -7.643 15.017 320 HB1 ALA 41 3HB ALA 41 -7.340 -8.769 12.894 321 HB2 ALA 41 1HB ALA 41 -7.017 -7.045 13.087 322 HB3 ALA 41 2HB ALA 41 -7.813 -7.944 14.380 323 H LYS 42 H LYS 42 -5.618 -10.414 12.828 324 HA LYS 42 HA LYS 42 -5.905 -12.222 15.196 325 HB2 LYS 42 2HB LYS 42 -7.251 -11.817 12.659 326 HB3 LYS 42 1HB LYS 42 -6.706 -13.497 12.825 327 HG2 LYS 42 2HG LYS 42 -8.265 -11.984 14.943 328 HG3 LYS 42 1HG LYS 42 -8.997 -13.086 13.774 329 HD2 LYS 42 2HD LYS 42 -6.707 -13.968 15.531 330 HD3 LYS 42 1HD LYS 42 -8.377 -14.054 16.093 331 HE2 LYS 42 2HE LYS 42 -8.879 -15.326 13.910 332 HE3 LYS 42 1HE LYS 42 -7.119 -15.499 13.752 333 HZ1 LYS 42 3HZ LYS 42 -7.776 -17.338 15.020 334 HZ2 LYS 42 1HZ LYS 42 -8.861 -16.430 15.956 335 HZ3 LYS 42 2HZ LYS 42 -7.187 -16.231 16.167 336 H CYS 43 H CYS 43 -3.646 -11.185 12.982 337 HA CYS 43 HA CYS 43 -2.478 -13.759 12.225 338 HB2 CYS 43 2HB CYS 43 -2.374 -11.561 10.956 339 HB3 CYS 43 1HB CYS 43 -1.264 -10.978 12.196 340 HA PRO 44 HA PRO 44 -0.506 -13.941 16.261 341 HB2 PRO 44 2HB PRO 44 0.186 -16.578 16.088 342 HB3 PRO 44 1HB PRO 44 -1.447 -16.034 16.518 343 HG2 PRO 44 2HG PRO 44 -0.434 -17.132 13.966 344 HG3 PRO 44 1HG PRO 44 -2.038 -17.261 14.698 345 HD2 PRO 44 2HD PRO 44 -1.336 -15.552 12.618 346 HD3 PRO 44 1HD PRO 44 -2.782 -15.407 13.637 347 H GLU 45 H GLU 45 0.826 -15.049 13.176 348 HA GLU 45 HA GLU 45 3.033 -15.006 12.341 349 HB2 GLU 45 2HB GLU 45 3.190 -12.999 14.612 350 HB3 GLU 45 1HB GLU 45 4.441 -13.200 13.386 351 HG2 GLU 45 2HG GLU 45 3.291 -11.880 11.978 352 HG3 GLU 45 1HG GLU 45 1.918 -12.984 12.056 353 H ARG 46 H ARG 46 4.972 -16.147 12.700 354 HA ARG 46 HA ARG 46 6.293 -17.803 13.768 355 HB2 ARG 46 2HB ARG 46 5.849 -15.878 16.074 356 HB3 ARG 46 1HB ARG 46 7.237 -16.942 15.843 357 HG2 ARG 46 2HG ARG 46 6.493 -14.889 13.765 358 HG3 ARG 46 1HG ARG 46 7.496 -14.459 15.150 359 HD2 ARG 46 2HD ARG 46 8.255 -16.918 13.621 360 HD3 ARG 46 1HD ARG 46 8.606 -15.341 12.884 361 HE ARG 46 HE ARG 46 9.512 -14.905 15.388 362 HH11 ARG 46 1HH1 ARG 46 9.996 -17.415 13.081 363 HH12 ARG 46 2HH1 ARG 46 11.451 -17.996 13.818 364 HH21 ARG 46 1HH2 ARG 46 11.334 -15.745 16.451 365 HH22 ARG 46 2HH2 ARG 46 12.208 -17.051 15.726 366 H GLN 47 H GLN 47 4.610 -19.483 13.766 367 HA GLN 47 HA GLN 47 3.074 -19.752 16.315 368 HB2 GLN 47 2HB GLN 47 2.742 -20.479 13.470 369 HB3 GLN 47 1HB GLN 47 2.203 -21.715 14.609 370 HG2 GLN 47 2HG GLN 47 0.702 -20.187 15.692 371 HG3 GLN 47 1HG GLN 47 1.389 -18.808 14.830 372 HE21 GLN 47 1HE2 GLN 47 0.604 -18.366 12.711 373 HE22 GLN 47 2HE2 GLN 47 -0.595 -19.293 11.949 374 H ALA 48 H ALA 48 5.490 -21.337 14.292 375 HA ALA 48 HA ALA 48 5.700 -23.540 16.311 376 HB1 ALA 48 3HB ALA 48 6.457 -24.888 14.510 377 HB2 ALA 48 1HB ALA 48 6.869 -23.483 13.526 378 HB3 ALA 48 2HB ALA 48 5.179 -23.904 13.800 379 H GLY 49 H GLY 49 7.209 -22.734 17.798 380 HA2 GLY 49 2HA GLY 49 9.940 -22.867 17.364 381 HA3 GLY 49 1HA GLY 49 9.535 -21.199 16.956 Start of MODEL 3 1 H1 ALA 1 1HT ALA 1 17.835 17.496 -2.070 2 H2 ALA 1 2HT ALA 1 18.907 18.809 -2.189 3 H3 ALA 1 3HT ALA 1 19.489 17.268 -1.775 4 HA ALA 1 HA ALA 1 18.630 18.279 -4.406 5 HB1 ALA 1 3HB ALA 1 20.843 17.958 -4.798 6 HB2 ALA 1 1HB ALA 1 20.798 16.337 -4.105 7 HB3 ALA 1 2HB ALA 1 21.009 17.739 -3.057 8 H GLN 2 H GLN 2 16.522 16.895 -3.815 9 HA GLN 2 HA GLN 2 15.252 14.958 -4.288 10 HB2 GLN 2 2HB GLN 2 17.335 15.329 -6.255 11 HB3 GLN 2 1HB GLN 2 17.019 13.607 -6.042 12 HG2 GLN 2 2HG GLN 2 14.892 15.707 -6.555 13 HG3 GLN 2 1HG GLN 2 15.545 14.613 -7.774 14 HE21 GLN 2 1HE2 GLN 2 12.814 14.434 -7.292 15 HE22 GLN 2 2HE2 GLN 2 12.460 13.017 -6.426 16 H GLN 3 H GLN 3 15.781 12.345 -4.588 17 HA GLN 3 HA GLN 3 16.463 10.400 -3.428 18 HB2 GLN 3 2HB GLN 3 18.663 11.888 -4.135 19 HB3 GLN 3 1HB GLN 3 18.902 11.706 -2.397 20 HG2 GLN 3 2HG GLN 3 18.295 9.395 -4.260 21 HG3 GLN 3 1HG GLN 3 19.925 9.855 -3.767 22 HE21 GLN 3 1HE2 GLN 3 16.853 8.518 -2.583 23 HE22 GLN 3 2HE2 GLN 3 17.472 7.952 -1.108 24 H ARG 4 H ARG 4 14.958 10.340 -1.701 25 HA ARG 4 HA ARG 4 15.953 10.769 0.962 26 HB2 ARG 4 2HB ARG 4 14.460 12.724 1.496 27 HB3 ARG 4 1HB ARG 4 15.734 13.112 0.337 28 HG2 ARG 4 2HG ARG 4 14.219 13.651 -1.238 29 HG3 ARG 4 1HG ARG 4 13.400 12.102 -1.043 30 HD2 ARG 4 2HD ARG 4 11.801 12.979 0.351 31 HD3 ARG 4 1HD ARG 4 12.952 14.081 1.135 32 HE ARG 4 HE ARG 4 12.392 15.702 -0.486 33 HH11 ARG 4 1HH1 ARG 4 9.810 14.178 -0.952 34 HH12 ARG 4 2HH1 ARG 4 9.833 13.981 -2.673 35 HH21 ARG 4 1HH2 ARG 4 13.200 14.749 -2.981 36 HH22 ARG 4 2HH2 ARG 4 11.753 14.304 -3.821 37 H LYS 5 H LYS 5 14.894 9.109 1.957 38 HA LYS 5 HA LYS 5 11.945 8.822 1.504 39 HB2 LYS 5 2HB LYS 5 12.428 6.322 1.637 40 HB3 LYS 5 1HB LYS 5 13.049 7.123 0.195 41 HG2 LYS 5 2HG LYS 5 15.271 7.310 1.241 42 HG3 LYS 5 1HG LYS 5 14.657 6.523 2.695 43 HD2 LYS 5 2HD LYS 5 14.054 4.531 1.299 44 HD3 LYS 5 1HD LYS 5 14.832 5.310 -0.078 45 HE2 LYS 5 2HE LYS 5 16.926 5.490 1.423 46 HE3 LYS 5 1HE LYS 5 16.113 4.311 2.473 47 HZ1 LYS 5 3HZ LYS 5 15.780 2.888 0.536 48 HZ2 LYS 5 1HZ LYS 5 17.430 3.174 0.801 49 HZ3 LYS 5 2HZ LYS 5 16.615 3.999 -0.441 50 H VAL 6 H VAL 6 10.884 8.926 3.462 51 HA VAL 6 HA VAL 6 12.441 8.170 5.915 52 HB VAL 6 HB VAL 6 11.802 10.652 5.289 53 HG11 VAL 6 1HG1 VAL 6 9.649 11.364 5.711 54 HG12 VAL 6 2HG1 VAL 6 9.325 10.053 6.845 55 HG13 VAL 6 3HG1 VAL 6 9.310 9.741 5.111 56 HG21 VAL 6 3HG2 VAL 6 12.748 10.639 7.358 57 HG22 VAL 6 1HG2 VAL 6 11.884 9.179 7.841 58 HG23 VAL 6 2HG2 VAL 6 11.087 10.749 7.939 59 H ILE 7 H ILE 7 11.436 6.826 7.352 60 HA ILE 7 HA ILE 7 9.967 5.027 7.870 61 HB ILE 7 HB ILE 7 9.470 7.378 8.963 62 HG12 ILE 7 2HG1 ILE 7 9.027 5.034 9.846 63 HG13 ILE 7 1HG1 ILE 7 7.932 6.284 10.438 64 HG21 ILE 7 1HG2 ILE 7 6.852 6.791 7.563 65 HG22 ILE 7 2HG2 ILE 7 7.955 8.082 7.090 66 HG23 ILE 7 3HG2 ILE 7 7.181 8.119 8.674 67 HD11 ILE 7 3HD1 ILE 7 6.619 4.347 9.782 68 HD12 ILE 7 1HD1 ILE 7 7.387 4.325 8.194 69 HD13 ILE 7 2HD1 ILE 7 6.316 5.656 8.637 70 H ARG 8 H ARG 8 9.237 3.559 6.425 71 HA ARG 8 HA ARG 8 7.644 4.300 4.083 72 HB2 ARG 8 2HB ARG 8 7.653 1.763 3.825 73 HB3 ARG 8 1HB ARG 8 9.247 2.513 3.909 74 HG2 ARG 8 2HG ARG 8 9.698 1.650 5.997 75 HG3 ARG 8 1HG ARG 8 8.004 1.662 6.484 76 HD2 ARG 8 2HD ARG 8 9.309 -0.305 4.570 77 HD3 ARG 8 1HD ARG 8 8.679 -0.660 6.190 78 HE ARG 8 HE ARG 8 6.553 0.547 4.834 79 HH11 ARG 8 1HH2 ARG 8 8.366 -2.359 4.921 80 HH12 ARG 8 2HH2 ARG 8 7.286 -3.232 3.885 81 HH21 ARG 8 1HH1 ARG 8 5.242 -0.496 3.270 82 HH22 ARG 8 2HH1 ARG 8 5.516 -2.177 2.949 83 H CYS 9 H CYS 9 5.459 4.569 4.165 84 HA CYS 9 HA CYS 9 3.876 3.907 6.503 85 HB2 CYS 9 2HB CYS 9 3.275 5.797 5.179 86 HB3 CYS 9 1HB CYS 9 3.341 4.863 3.681 87 H TRP 10 H TRP 10 3.175 1.842 6.960 88 HA TRP 10 HA TRP 10 3.314 -0.325 5.071 89 HB2 TRP 10 2HB TRP 10 2.938 -1.533 6.975 90 HB3 TRP 10 1HB TRP 10 3.075 0.009 7.809 91 HD1 TRP 10 HD TRP 10 0.233 -1.892 5.956 92 HE1 TRP 10 1HE TRP 10 -1.923 -1.644 7.341 93 HE3 TRP 10 3HE TRP 10 1.992 0.955 9.792 94 HZ2 TRP 10 2HZ TRP 10 -2.787 -0.409 9.772 95 HZ3 TRP 10 3HZ TRP 10 0.488 1.651 11.640 96 HH2 TRP 10 HH TRP 10 -1.898 0.973 11.632 97 H ASN 11 H ASN 11 0.602 1.533 6.405 98 HA ASN 11 HA ASN 11 -1.610 0.355 5.284 99 HB2 ASN 11 2HB ASN 11 -1.023 2.644 6.610 100 HB3 ASN 11 1HB ASN 11 -1.469 3.299 5.032 101 HD21 ASN 11 1HD2 ASN 11 -3.539 1.950 4.111 102 HD22 ASN 11 2HD2 ASN 11 -4.818 1.835 5.221 103 H CYS 12 H CYS 12 0.709 2.417 3.518 104 HA CYS 12 HA CYS 12 -0.744 1.630 1.020 105 HB2 CYS 12 2HB CYS 12 -0.666 3.878 0.260 106 HB3 CYS 12 1HB CYS 12 -1.160 3.979 1.948 107 H GLY 13 H GLY 13 2.151 1.574 2.701 108 HA2 GLY 13 2HA GLY 13 4.319 0.946 2.068 109 HA3 GLY 13 1HA GLY 13 3.625 0.436 0.530 110 H LYS 14 H LYS 14 4.742 3.321 2.288 111 HA LYS 14 HA LYS 14 6.128 4.317 -0.064 112 HB2 LYS 14 2HB LYS 14 3.509 4.729 -0.235 113 HB3 LYS 14 1HB LYS 14 3.874 6.073 0.847 114 HG2 LYS 14 2HG LYS 14 5.536 5.647 -1.620 115 HG3 LYS 14 1HG LYS 14 3.977 6.464 -1.740 116 HD2 LYS 14 2HD LYS 14 4.656 8.205 -0.275 117 HD3 LYS 14 1HD LYS 14 6.056 7.292 0.287 118 HE2 LYS 14 2HE LYS 14 6.007 7.738 -2.635 119 HE3 LYS 14 1HE LYS 14 6.187 9.213 -1.662 120 HZ1 LYS 14 3HZ LYS 14 7.913 8.068 -0.369 121 HZ2 LYS 14 1HZ LYS 14 8.342 8.212 -2.004 122 HZ3 LYS 14 2HZ LYS 14 7.790 6.723 -1.401 123 H GLU 15 H GLU 15 7.853 5.414 0.780 124 HA GLU 15 HA GLU 15 7.943 6.121 3.608 125 HB2 GLU 15 2HB GLU 15 9.709 5.833 1.299 126 HB3 GLU 15 1HB GLU 15 10.142 7.227 2.289 127 HG2 GLU 15 2HG GLU 15 10.749 5.939 4.079 128 HG3 GLU 15 1HG GLU 15 9.487 4.745 3.776 129 H GLY 16 H GLY 16 8.271 8.289 4.424 130 HA2 GLY 16 2HA GLY 16 8.492 10.738 3.783 131 HA3 GLY 16 1HA GLY 16 7.222 10.421 2.599 132 H HIS 17 H HIS 17 6.131 8.513 4.817 133 HA HIS 17 HA HIS 17 5.147 10.381 6.855 134 HB2 HIS 17 2HB HIS 17 2.888 10.469 6.080 135 HB3 HIS 17 1HB HIS 17 3.874 10.783 4.653 136 HD1 HIS 17 1HD HIS 17 4.416 8.503 3.184 137 HD2 HIS 17 2HD HIS 17 1.126 8.377 5.739 138 HE1 HIS 17 1HE HIS 17 2.979 6.568 2.407 139 H SER 18 H SER 18 3.451 9.162 8.273 140 HA SER 18 HA SER 18 4.359 6.327 8.493 141 HB2 SER 18 2HB SER 18 2.896 6.935 10.742 142 HB3 SER 18 1HB SER 18 4.640 7.143 10.590 143 HG SER 18 HG SER 18 3.844 9.106 11.185 144 H ALA 19 H ALA 19 2.794 4.660 8.831 145 HA ALA 19 HA ALA 19 0.438 4.799 7.206 146 HB1 ALA 19 3HB ALA 19 0.015 2.576 8.276 147 HB2 ALA 19 1HB ALA 19 1.308 2.923 9.424 148 HB3 ALA 19 2HB ALA 19 1.677 2.746 7.708 149 H ARG 20 H ARG 20 0.960 5.132 10.704 150 HA ARG 20 HA ARG 20 -1.640 5.083 11.717 151 HB2 ARG 20 2HB ARG 20 -0.760 6.560 13.440 152 HB3 ARG 20 1HB ARG 20 0.545 5.490 12.929 153 HG2 ARG 20 2HG ARG 20 1.739 7.399 12.637 154 HG3 ARG 20 1HG ARG 20 0.798 7.584 11.159 155 HD2 ARG 20 2HD ARG 20 0.697 9.649 12.529 156 HD3 ARG 20 1HD ARG 20 -0.906 8.891 12.435 157 HE ARG 20 HE ARG 20 0.769 8.003 14.689 158 HH11 ARG 20 1HH2 ARG 20 -0.459 10.993 14.195 159 HH12 ARG 20 2HH2 ARG 20 -1.671 10.940 15.431 160 HH21 ARG 20 1HH1 ARG 20 -1.315 7.536 15.998 161 HH22 ARG 20 2HH1 ARG 20 -2.155 8.980 16.454 162 H GLN 21 H GLN 21 -0.150 7.412 9.598 163 HA GLN 21 HA GLN 21 -2.407 9.317 9.882 164 HB2 GLN 21 2HB GLN 21 -0.056 10.086 9.903 165 HB3 GLN 21 1HB GLN 21 0.181 9.384 8.302 166 HG2 GLN 21 2HG GLN 21 -0.928 11.068 7.257 167 HG3 GLN 21 1HG GLN 21 -2.148 11.177 8.525 168 HE21 GLN 21 1HE2 GLN 21 -1.016 13.547 7.463 169 HE22 GLN 21 2HE2 GLN 21 -0.035 14.275 8.654 170 H CYS 22 H CYS 22 -0.806 7.247 7.471 171 HA CYS 22 HA CYS 22 -2.844 7.879 5.418 172 HB2 CYS 22 2HB CYS 22 -0.135 7.035 5.540 173 HB3 CYS 22 1HB CYS 22 -1.035 5.730 4.773 174 H ARG 23 H ARG 23 -4.527 6.509 4.916 175 HA ARG 23 HA ARG 23 -4.608 3.854 6.266 176 HB2 ARG 23 2HB ARG 23 -6.713 5.981 5.833 177 HB3 ARG 23 1HB ARG 23 -7.123 4.327 6.294 178 HG2 ARG 23 2HG ARG 23 -5.200 6.083 7.847 179 HG3 ARG 23 1HG ARG 23 -6.908 5.899 8.250 180 HD2 ARG 23 2HD ARG 23 -6.638 3.721 8.997 181 HD3 ARG 23 1HD ARG 23 -5.273 3.406 7.911 182 HE ARG 23 HE ARG 23 -3.964 5.025 9.398 183 HH11 ARG 23 1HH1 ARG 23 -5.393 2.307 10.502 184 HH12 ARG 23 2HH1 ARG 23 -5.538 2.788 12.160 185 HH21 ARG 23 1HH2 ARG 23 -4.731 6.104 11.545 186 HH22 ARG 23 2HH2 ARG 23 -5.164 4.937 12.750 187 H ALA 24 H ALA 24 -4.454 5.487 3.335 188 HA ALA 24 HA ALA 24 -5.067 4.888 1.106 189 HB1 ALA 24 3HB ALA 24 -4.790 2.051 2.034 190 HB2 ALA 24 1HB ALA 24 -3.416 3.129 2.280 191 HB3 ALA 24 2HB ALA 24 -4.037 2.849 0.653 192 HA PRO 25 HA PRO 25 -9.152 3.200 0.886 193 HB2 PRO 25 2HB PRO 25 -9.253 0.723 -0.291 194 HB3 PRO 25 1HB PRO 25 -8.968 2.217 -1.203 195 HG2 PRO 25 2HG PRO 25 -7.030 0.157 -0.299 196 HG3 PRO 25 1HG PRO 25 -7.067 1.094 -1.800 197 HD2 PRO 25 2HD PRO 25 -5.420 1.644 0.299 198 HD3 PRO 25 1HD PRO 25 -5.958 2.867 -0.871 199 H ARG 26 H ARG 26 -8.645 -0.214 1.130 200 HA ARG 26 HA ARG 26 -9.581 -0.122 3.856 201 HB2 ARG 26 2HB ARG 26 -9.722 -1.863 1.560 202 HB3 ARG 26 1HB ARG 26 -9.305 -2.764 3.023 203 HG2 ARG 26 2HG ARG 26 -11.637 -0.879 2.661 204 HG3 ARG 26 1HG ARG 26 -11.716 -2.633 2.857 205 HD2 ARG 26 2HD ARG 26 -10.333 -2.106 5.082 206 HD3 ARG 26 1HD ARG 26 -11.125 -0.526 4.911 207 HE ARG 26 HE ARG 26 -13.088 -2.536 4.457 208 HH11 ARG 26 1HH2 ARG 26 -10.842 -2.157 6.976 209 HH12 ARG 26 2HH2 ARG 26 -12.023 -2.176 8.244 210 HH21 ARG 26 1HH1 ARG 26 -14.732 -2.195 6.078 211 HH22 ARG 26 2HH1 ARG 26 -14.226 -2.199 7.735 212 H ARG 27 H ARG 27 -6.773 0.648 3.457 213 HA ARG 27 HA ARG 27 -4.629 0.071 4.341 214 HB2 ARG 27 2HB ARG 27 -6.208 -1.748 6.146 215 HB3 ARG 27 1HB ARG 27 -4.791 -0.775 6.535 216 HG2 ARG 27 2HG ARG 27 -6.048 1.255 6.477 217 HG3 ARG 27 1HG ARG 27 -7.436 0.455 5.733 218 HD2 ARG 27 2HD ARG 27 -8.227 -0.202 7.742 219 HD3 ARG 27 1HD ARG 27 -6.647 -0.859 8.210 220 HE ARG 27 HE ARG 27 -6.301 1.895 8.309 221 HH11 ARG 27 1HH2 ARG 27 -6.490 -0.223 10.620 222 HH12 ARG 27 2HH2 ARG 27 -7.590 0.604 11.672 223 HH21 ARG 27 1HH1 ARG 27 -8.569 2.909 9.274 224 HH22 ARG 27 2HH1 ARG 27 -8.770 2.375 10.909 225 H GLN 28 H GLN 28 -3.321 -1.996 5.026 226 HA GLN 28 HA GLN 28 -3.634 -3.917 2.796 227 HB2 GLN 28 2HB GLN 28 -1.551 -3.041 4.727 228 HB3 GLN 28 1HB GLN 28 -1.437 -4.713 4.176 229 HG2 GLN 28 2HG GLN 28 -0.168 -3.425 2.612 230 HG3 GLN 28 1HG GLN 28 -1.689 -3.805 1.802 231 HE21 GLN 28 1HE2 GLN 28 -3.476 -2.028 2.239 232 HE22 GLN 28 2HE2 GLN 28 -2.952 -0.408 2.181 233 H GLY 29 H GLY 29 -5.248 -5.408 3.282 234 HA2 GLY 29 2HA GLY 29 -6.164 -6.403 5.671 235 HA3 GLY 29 1HA GLY 29 -6.008 -7.435 4.248 236 H CYS 30 H CYS 30 -3.616 -8.146 3.863 237 HA CYS 30 HA CYS 30 -2.712 -9.472 6.331 238 HB2 CYS 30 2HB CYS 30 -2.716 -9.943 3.550 239 HB3 CYS 30 1HB CYS 30 -1.019 -9.781 4.001 240 H TRP 31 H TRP 31 -0.949 -8.820 7.531 241 HA TRP 31 HA TRP 31 0.462 -6.340 6.710 242 HB2 TRP 31 2HB TRP 31 -0.351 -7.706 9.133 243 HB3 TRP 31 1HB TRP 31 1.364 -7.309 9.202 244 HD1 TRP 31 HD TRP 31 -1.674 -5.372 7.784 245 HE1 TRP 31 1HE TRP 31 -1.631 -2.983 8.761 246 HE3 TRP 31 3HE TRP 31 2.428 -5.760 10.753 247 HZ2 TRP 31 2HZ TRP 31 -0.025 -1.452 10.614 248 HZ3 TRP 31 3HZ TRP 31 3.202 -3.841 12.118 249 HH2 TRP 31 HH TRP 31 1.981 -1.686 12.044 250 H LYS 32 H LYS 32 1.590 -9.328 8.332 251 HA LYS 32 HA LYS 32 4.292 -9.141 7.532 252 HB2 LYS 32 2HB LYS 32 3.545 -10.640 9.269 253 HB3 LYS 32 1HB LYS 32 2.478 -11.490 8.150 254 HG2 LYS 32 2HG LYS 32 4.619 -12.016 6.804 255 HG3 LYS 32 1HG LYS 32 5.495 -11.531 8.257 256 HD2 LYS 32 2HD LYS 32 4.600 -13.285 9.537 257 HD3 LYS 32 1HD LYS 32 3.248 -13.526 8.430 258 HE2 LYS 32 2HE LYS 32 4.437 -15.098 7.319 259 HE3 LYS 32 1HE LYS 32 5.704 -13.903 6.974 260 HZ1 LYS 32 3HZ LYS 32 5.528 -14.900 9.709 261 HZ2 LYS 32 1HZ LYS 32 6.895 -14.489 8.794 262 HZ3 LYS 32 2HZ LYS 32 6.127 -15.984 8.545 263 H CYS 33 H CYS 33 1.494 -10.001 5.677 264 HA CYS 33 HA CYS 33 3.195 -11.158 3.502 265 HB2 CYS 33 2HB CYS 33 1.332 -12.527 4.336 266 HB3 CYS 33 1HB CYS 33 0.208 -11.199 4.047 267 H GLY 34 H GLY 34 0.579 -8.795 4.107 268 HA2 GLY 34 2HA GLY 34 0.234 -6.704 3.054 269 HA3 GLY 34 1HA GLY 34 1.661 -7.007 2.062 270 H LYS 35 H LYS 35 -1.774 -7.163 2.184 271 HA LYS 35 HA LYS 35 -1.823 -8.015 -0.663 272 HB2 LYS 35 2HB LYS 35 -2.722 -9.535 1.712 273 HB3 LYS 35 1HB LYS 35 -3.880 -9.486 0.382 274 HG2 LYS 35 2HG LYS 35 -0.964 -10.247 0.051 275 HG3 LYS 35 1HG LYS 35 -2.269 -11.417 0.253 276 HD2 LYS 35 2HD LYS 35 -2.533 -11.333 -1.987 277 HD3 LYS 35 1HD LYS 35 -3.200 -9.717 -1.749 278 HE2 LYS 35 2HE LYS 35 -0.378 -9.432 -1.636 279 HE3 LYS 35 1HE LYS 35 -0.737 -10.442 -3.051 280 HZ1 LYS 35 3HZ LYS 35 -2.042 -8.843 -3.990 281 HZ2 LYS 35 1HZ LYS 35 -0.948 -7.839 -3.172 282 HZ3 LYS 35 2HZ LYS 35 -2.478 -8.151 -2.501 283 H THR 36 H THR 36 -4.564 -8.033 1.540 284 HA THR 36 HA THR 36 -5.435 -5.325 1.149 285 HB THR 36 HB THR 36 -5.792 -5.648 -1.119 286 HG1 THR 36 1HG THR 36 -8.130 -7.001 -0.474 287 HG21 THR 36 3HG2 THR 36 -6.894 -8.108 -1.666 288 HG22 THR 36 1HG2 THR 36 -5.798 -8.489 -0.338 289 HG23 THR 36 2HG2 THR 36 -5.178 -7.723 -1.800 290 H GLY 37 H GLY 37 -7.247 -8.378 0.813 291 HA2 GLY 37 2HA GLY 37 -8.820 -7.599 3.215 292 HA3 GLY 37 1HA GLY 37 -9.325 -8.787 2.009 293 H HIS 38 H HIS 38 -7.574 -10.664 1.824 294 HA HIS 38 HA HIS 38 -7.655 -12.264 4.106 295 HB2 HIS 38 2HB HIS 38 -6.765 -13.606 2.515 296 HB3 HIS 38 1HB HIS 38 -6.422 -12.200 1.518 297 HD1 HIS 38 1HD HIS 38 -4.027 -12.133 0.875 298 HD2 HIS 38 2HD HIS 38 -4.522 -13.713 4.700 299 HE1 HIS 38 1HE HIS 38 -1.706 -12.668 1.733 300 H VAL 39 H VAL 39 -6.980 -11.591 6.121 301 HA VAL 39 HA VAL 39 -4.519 -9.944 6.382 302 HB VAL 39 HB VAL 39 -5.366 -9.672 8.694 303 HG11 VAL 39 1HG1 VAL 39 -6.421 -8.596 6.444 304 HG12 VAL 39 2HG1 VAL 39 -6.989 -8.186 8.062 305 HG13 VAL 39 3HG1 VAL 39 -7.856 -9.384 7.100 306 HG21 VAL 39 3HG2 VAL 39 -6.307 -12.057 8.735 307 HG22 VAL 39 1HG2 VAL 39 -7.693 -11.416 7.850 308 HG23 VAL 39 2HG2 VAL 39 -7.321 -10.813 9.465 309 H MET 40 H MET 40 -2.941 -10.587 8.117 310 HA MET 40 HA MET 40 -1.774 -13.094 7.810 311 HB2 MET 40 2HB MET 40 -0.526 -12.523 9.756 312 HB3 MET 40 1HB MET 40 -1.018 -10.970 9.079 313 HG2 MET 40 2HG MET 40 -3.140 -11.390 10.660 314 HG3 MET 40 1HG MET 40 -1.957 -12.342 11.559 315 HE1 MET 40 3HE MET 40 -0.323 -10.361 13.665 316 HE2 MET 40 1HE MET 40 0.798 -10.624 12.321 317 HE3 MET 40 2HE MET 40 -0.399 -11.851 12.727 318 H ALA 41 H ALA 41 -4.553 -12.220 9.751 319 HA ALA 41 HA ALA 41 -4.753 -14.456 11.503 320 HB1 ALA 41 3HB ALA 41 -6.916 -13.617 11.829 321 HB2 ALA 41 1HB ALA 41 -7.131 -13.252 10.117 322 HB3 ALA 41 2HB ALA 41 -6.124 -12.208 11.120 323 H LYS 42 H LYS 42 -6.228 -13.884 8.348 324 HA LYS 42 HA LYS 42 -7.013 -16.724 8.091 325 HB2 LYS 42 2HB LYS 42 -7.858 -14.071 7.328 326 HB3 LYS 42 1HB LYS 42 -7.800 -15.127 5.903 327 HG2 LYS 42 2HG LYS 42 -8.949 -16.495 8.200 328 HG3 LYS 42 1HG LYS 42 -9.837 -15.017 7.829 329 HD2 LYS 42 2HD LYS 42 -9.066 -16.842 5.580 330 HD3 LYS 42 1HD LYS 42 -10.443 -17.276 6.593 331 HE2 LYS 42 2HE LYS 42 -10.204 -14.500 5.419 332 HE3 LYS 42 1HE LYS 42 -10.941 -15.829 4.502 333 HZ1 LYS 42 3HZ LYS 42 -12.764 -15.222 5.672 334 HZ2 LYS 42 1HZ LYS 42 -11.872 -14.516 6.929 335 HZ3 LYS 42 2HZ LYS 42 -12.067 -16.204 6.871 336 H CYS 43 H CYS 43 -4.202 -15.240 7.559 337 HA CYS 43 HA CYS 43 -3.594 -15.615 4.786 338 HB2 CYS 43 2HB CYS 43 -2.345 -14.836 7.231 339 HB3 CYS 43 1HB CYS 43 -1.322 -16.061 6.478 340 HA PRO 44 HA PRO 44 -2.727 -19.928 4.560 341 HB2 PRO 44 2HB PRO 44 -0.306 -20.078 3.298 342 HB3 PRO 44 1HB PRO 44 -1.788 -19.549 2.480 343 HG2 PRO 44 2HG PRO 44 0.504 -17.957 3.440 344 HG3 PRO 44 1HG PRO 44 -0.598 -17.658 2.091 345 HD2 PRO 44 2HD PRO 44 -0.682 -16.423 4.602 346 HD3 PRO 44 1HD PRO 44 -1.962 -16.391 3.371 347 H GLU 45 H GLU 45 -1.161 -18.129 6.765 348 HA GLU 45 HA GLU 45 0.801 -20.221 7.589 349 HB2 GLU 45 2HB GLU 45 0.330 -17.412 8.637 350 HB3 GLU 45 1HB GLU 45 1.746 -18.421 8.923 351 HG2 GLU 45 2HG GLU 45 0.955 -17.785 6.099 352 HG3 GLU 45 1HG GLU 45 1.815 -16.572 7.046 353 H ARG 46 H ARG 46 0.291 -18.675 10.347 354 HA ARG 46 HA ARG 46 -2.206 -19.275 11.367 355 HB2 ARG 46 2HB ARG 46 -0.681 -21.601 10.629 356 HB3 ARG 46 1HB ARG 46 -0.931 -21.603 12.375 357 HG2 ARG 46 2HG ARG 46 -3.389 -21.087 11.874 358 HG3 ARG 46 1HG ARG 46 -3.027 -21.505 10.200 359 HD2 ARG 46 2HD ARG 46 -2.870 -23.737 10.660 360 HD3 ARG 46 1HD ARG 46 -2.061 -23.454 12.215 361 HE ARG 46 HE ARG 46 -4.988 -23.465 11.771 362 HH11 ARG 46 1HH1 ARG 46 -2.946 -21.578 13.609 363 HH12 ARG 46 2HH1 ARG 46 -3.575 -22.065 15.147 364 HH21 ARG 46 1HH2 ARG 46 -5.525 -24.615 13.845 365 HH22 ARG 46 2HH2 ARG 46 -5.032 -23.781 15.281 366 H GLN 47 H GLN 47 -1.482 -17.453 12.632 367 HA GLN 47 HA GLN 47 0.842 -17.709 14.397 368 HB2 GLN 47 2HB GLN 47 0.122 -15.590 13.352 369 HB3 GLN 47 1HB GLN 47 -1.415 -15.689 14.210 370 HG2 GLN 47 2HG GLN 47 0.203 -15.926 16.320 371 HG3 GLN 47 1HG GLN 47 1.303 -15.043 15.261 372 HE21 GLN 47 1HE2 GLN 47 1.163 -12.844 15.705 373 HE22 GLN 47 2HE2 GLN 47 -0.272 -12.004 16.043 374 H ALA 48 H ALA 48 0.096 -19.679 15.575 375 HA ALA 48 HA ALA 48 -2.263 -19.352 17.338 376 HB1 ALA 48 3HB ALA 48 -0.262 -21.619 17.066 377 HB2 ALA 48 1HB ALA 48 -1.701 -21.452 16.060 378 HB3 ALA 48 2HB ALA 48 -1.865 -21.710 17.797 379 H GLY 49 H GLY 49 0.433 -17.840 17.594 380 HA2 GLY 49 2HA GLY 49 1.343 -16.884 19.593 381 HA3 GLY 49 1HA GLY 49 0.656 -18.221 20.517 Start of MODEL 4 1 H1 ALA 1 1HT ALA 1 24.860 0.187 -0.105 2 H2 ALA 1 2HT ALA 1 25.015 -1.440 -0.567 3 H3 ALA 1 3HT ALA 1 24.682 -1.042 1.051 4 HA ALA 1 HA ALA 1 22.826 -0.314 -1.144 5 HB1 ALA 1 3HB ALA 1 23.656 -2.874 -0.527 6 HB2 ALA 1 1HB ALA 1 22.097 -2.469 -1.244 7 HB3 ALA 1 2HB ALA 1 22.237 -2.683 0.501 8 H GLN 2 H GLN 2 21.632 1.279 -0.172 9 HA GLN 2 HA GLN 2 20.996 1.001 2.745 10 HB2 GLN 2 2HB GLN 2 21.178 3.419 0.917 11 HB3 GLN 2 1HB GLN 2 20.771 3.482 2.633 12 HG2 GLN 2 2HG GLN 2 22.926 3.132 3.288 13 HG3 GLN 2 1HG GLN 2 23.239 1.987 1.983 14 HE21 GLN 2 1HE2 GLN 2 24.957 2.835 0.783 15 HE22 GLN 2 2HE2 GLN 2 25.068 4.446 0.259 16 H GLN 3 H GLN 3 19.495 3.025 0.258 17 HA GLN 3 HA GLN 3 17.068 1.378 0.128 18 HB2 GLN 3 2HB GLN 3 17.138 2.724 2.347 19 HB3 GLN 3 1HB GLN 3 16.848 4.139 1.333 20 HG2 GLN 3 2HG GLN 3 14.733 3.403 0.672 21 HG3 GLN 3 1HG GLN 3 15.104 1.714 1.020 22 HE21 GLN 3 1HE2 GLN 3 15.808 1.520 3.573 23 HE22 GLN 3 2HE2 GLN 3 14.694 2.244 4.630 24 H ARG 4 H ARG 4 15.333 2.704 -1.146 25 HA ARG 4 HA ARG 4 16.736 4.416 -3.174 26 HB2 ARG 4 2HB ARG 4 15.905 1.976 -3.672 27 HB3 ARG 4 1HB ARG 4 14.309 2.725 -3.732 28 HG2 ARG 4 2HG ARG 4 14.933 2.964 -5.946 29 HG3 ARG 4 1HG ARG 4 15.574 4.472 -5.290 30 HD2 ARG 4 2HD ARG 4 17.760 3.790 -5.505 31 HD3 ARG 4 1HD ARG 4 17.370 2.097 -5.139 32 HE ARG 4 HE ARG 4 16.181 2.979 -7.642 33 HH11 ARG 4 1HH1 ARG 4 19.268 3.490 -7.532 34 HH12 ARG 4 2HH1 ARG 4 19.827 2.063 -8.340 35 HH21 ARG 4 1HH2 ARG 4 16.795 0.403 -8.075 36 HH22 ARG 4 2HH2 ARG 4 18.427 0.315 -8.645 37 H LYS 5 H LYS 5 15.853 6.438 -3.404 38 HA LYS 5 HA LYS 5 14.313 8.222 -3.228 39 HB2 LYS 5 2HB LYS 5 12.275 5.986 -3.092 40 HB3 LYS 5 1HB LYS 5 12.046 7.610 -3.739 41 HG2 LYS 5 2HG LYS 5 13.907 7.031 -5.412 42 HG3 LYS 5 1HG LYS 5 13.690 5.357 -4.899 43 HD2 LYS 5 2HD LYS 5 11.131 5.907 -5.349 44 HD3 LYS 5 1HD LYS 5 11.819 7.132 -6.417 45 HE2 LYS 5 2HE LYS 5 13.267 5.258 -7.407 46 HE3 LYS 5 1HE LYS 5 12.202 4.129 -6.546 47 HZ1 LYS 5 3HZ LYS 5 11.344 6.236 -8.459 48 HZ2 LYS 5 1HZ LYS 5 10.293 5.245 -7.573 49 HZ3 LYS 5 2HZ LYS 5 11.320 4.561 -8.740 50 H VAL 6 H VAL 6 12.718 9.190 -1.669 51 HA VAL 6 HA VAL 6 13.454 8.729 1.062 52 HB VAL 6 HB VAL 6 11.456 10.279 1.422 53 HG11 VAL 6 1HG1 VAL 6 13.116 11.384 -0.810 54 HG12 VAL 6 2HG1 VAL 6 13.944 10.852 0.655 55 HG13 VAL 6 3HG1 VAL 6 12.707 12.106 0.746 56 HG21 VAL 6 3HG2 VAL 6 10.497 9.238 -0.864 57 HG22 VAL 6 1HG2 VAL 6 11.344 10.631 -1.538 58 HG23 VAL 6 2HG2 VAL 6 10.080 10.866 -0.331 59 H ILE 7 H ILE 7 12.121 7.882 2.786 60 HA ILE 7 HA ILE 7 11.049 5.420 2.649 61 HB ILE 7 HB ILE 7 10.873 7.749 4.358 62 HG12 ILE 7 2HG1 ILE 7 12.082 5.488 4.637 63 HG13 ILE 7 1HG1 ILE 7 11.290 6.161 6.062 64 HG21 ILE 7 1HG2 ILE 7 8.528 7.798 4.265 65 HG22 ILE 7 2HG2 ILE 7 8.844 6.761 5.657 66 HG23 ILE 7 3HG2 ILE 7 8.402 6.046 4.106 67 HD11 ILE 7 3HD1 ILE 7 9.323 4.736 5.655 68 HD12 ILE 7 1HD1 ILE 7 10.779 3.753 5.805 69 HD13 ILE 7 2HD1 ILE 7 10.092 4.074 4.212 70 H ARG 8 H ARG 8 9.560 4.565 1.252 71 HA ARG 8 HA ARG 8 7.435 6.233 0.060 72 HB2 ARG 8 2HB ARG 8 8.735 4.601 -1.251 73 HB3 ARG 8 1HB ARG 8 8.194 3.302 -0.187 74 HG2 ARG 8 2HG ARG 8 5.994 3.389 -0.976 75 HG3 ARG 8 1HG ARG 8 6.168 5.044 -1.565 76 HD2 ARG 8 2HD ARG 8 7.703 4.246 -3.346 77 HD3 ARG 8 1HD ARG 8 7.480 2.580 -2.772 78 HE ARG 8 HE ARG 8 4.912 3.270 -3.103 79 HH11 ARG 8 1HH2 ARG 8 7.163 2.328 -5.256 80 HH12 ARG 8 2HH2 ARG 8 6.503 3.131 -6.641 81 HH21 ARG 8 1HH1 ARG 8 4.259 5.030 -4.803 82 HH22 ARG 8 2HH1 ARG 8 4.860 4.661 -6.385 83 H CYS 9 H CYS 9 5.199 5.930 0.472 84 HA CYS 9 HA CYS 9 4.512 4.802 3.082 85 HB2 CYS 9 2HB CYS 9 3.432 6.813 2.432 86 HB3 CYS 9 1HB CYS 9 3.041 6.187 0.832 87 H TRP 10 H TRP 10 3.313 2.938 3.461 88 HA TRP 10 HA TRP 10 3.299 0.868 1.351 89 HB2 TRP 10 2HB TRP 10 3.636 1.094 4.112 90 HB3 TRP 10 1HB TRP 10 2.125 0.226 3.918 91 HD1 TRP 10 HD TRP 10 4.678 -0.376 1.213 92 HE1 TRP 10 1HE TRP 10 5.675 -2.736 1.548 93 HE3 TRP 10 3HE TRP 10 2.739 -1.530 5.777 94 HZ2 TRP 10 2HZ TRP 10 5.678 -4.814 3.523 95 HZ3 TRP 10 3HZ TRP 10 3.254 -3.668 6.872 96 HH2 TRP 10 HH TRP 10 4.712 -5.300 5.757 97 H ASN 11 H ASN 11 0.887 1.458 3.890 98 HA ASN 11 HA ASN 11 -1.306 0.357 2.556 99 HB2 ASN 11 2HB ASN 11 -0.695 1.718 4.950 100 HB3 ASN 11 1HB ASN 11 -2.085 2.551 4.254 101 HD21 ASN 11 1HD2 ASN 11 -4.104 1.443 4.232 102 HD22 ASN 11 2HD2 ASN 11 -4.320 -0.106 4.891 103 H CYS 12 H CYS 12 0.251 3.332 1.810 104 HA CYS 12 HA CYS 12 -2.108 4.056 0.117 105 HB2 CYS 12 2HB CYS 12 -2.070 6.247 0.898 106 HB3 CYS 12 1HB CYS 12 -1.653 5.328 2.339 107 H GLY 13 H GLY 13 1.033 3.101 0.043 108 HA2 GLY 13 2HA GLY 13 2.827 3.434 -1.462 109 HA3 GLY 13 1HA GLY 13 1.525 3.459 -2.649 110 H LYS 14 H LYS 14 3.643 5.450 -0.693 111 HA LYS 14 HA LYS 14 3.734 7.589 -2.585 112 HB2 LYS 14 2HB LYS 14 1.310 7.456 -1.283 113 HB3 LYS 14 1HB LYS 14 2.189 8.629 -0.302 114 HG2 LYS 14 2HG LYS 14 1.754 8.756 -3.302 115 HG3 LYS 14 1HG LYS 14 1.017 9.805 -2.091 116 HD2 LYS 14 2HD LYS 14 3.951 9.701 -1.924 117 HD3 LYS 14 1HD LYS 14 3.353 10.360 -3.444 118 HE2 LYS 14 2HE LYS 14 2.546 12.250 -2.441 119 HE3 LYS 14 1HE LYS 14 1.957 11.355 -1.026 120 HZ1 LYS 14 3HZ LYS 14 3.772 12.417 -0.136 121 HZ2 LYS 14 1HZ LYS 14 4.656 12.377 -1.582 122 HZ3 LYS 14 2HZ LYS 14 4.492 10.967 -0.649 123 H GLU 15 H GLU 15 5.709 8.436 -2.114 124 HA GLU 15 HA GLU 15 7.264 8.046 0.175 125 HB2 GLU 15 2HB GLU 15 7.082 10.229 -1.901 126 HB3 GLU 15 1HB GLU 15 8.328 10.267 -0.652 127 HG2 GLU 15 2HG GLU 15 9.122 8.051 -1.347 128 HG3 GLU 15 1HG GLU 15 7.850 7.962 -2.565 129 H GLY 16 H GLY 16 7.937 9.806 1.773 130 HA2 GLY 16 2HA GLY 16 7.245 11.914 2.909 131 HA3 GLY 16 1HA GLY 16 5.573 11.438 2.606 132 H HIS 17 H HIS 17 5.987 8.631 3.312 133 HA HIS 17 HA HIS 17 6.960 8.595 6.082 134 HB2 HIS 17 2HB HIS 17 4.625 8.034 6.923 135 HB3 HIS 17 1HB HIS 17 4.850 9.706 6.412 136 HD1 HIS 17 1HD HIS 17 4.182 10.085 3.727 137 HD2 HIS 17 2HD HIS 17 2.447 6.859 5.718 138 HE1 HIS 17 1HE HIS 17 2.159 9.409 2.364 139 H SER 18 H SER 18 6.118 6.344 7.081 140 HA SER 18 HA SER 18 6.675 4.292 4.986 141 HB2 SER 18 2HB SER 18 7.691 3.130 6.703 142 HB3 SER 18 1HB SER 18 7.803 4.749 7.390 143 HG SER 18 HG SER 18 6.794 3.709 8.963 144 H ALA 19 H ALA 19 5.543 2.143 6.603 145 HA ALA 19 HA ALA 19 2.736 2.414 5.757 146 HB1 ALA 19 3HB ALA 19 4.551 0.365 5.824 147 HB2 ALA 19 1HB ALA 19 2.808 0.145 5.722 148 HB3 ALA 19 2HB ALA 19 3.615 0.034 7.283 149 H ARG 20 H ARG 20 4.566 2.857 8.639 150 HA ARG 20 HA ARG 20 2.593 2.188 10.617 151 HB2 ARG 20 2HB ARG 20 4.974 2.550 11.089 152 HB3 ARG 20 1HB ARG 20 4.846 4.226 10.554 153 HG2 ARG 20 2HG ARG 20 3.150 4.612 12.362 154 HG3 ARG 20 1HG ARG 20 3.465 2.977 12.946 155 HD2 ARG 20 2HD ARG 20 4.912 4.302 14.271 156 HD3 ARG 20 1HD ARG 20 5.978 3.747 12.965 157 HE ARG 20 HE ARG 20 4.636 6.151 12.152 158 HH11 ARG 20 1HH1 ARG 20 7.644 4.972 12.723 159 HH12 ARG 20 2HH1 ARG 20 8.320 6.420 13.391 160 HH21 ARG 20 1HH2 ARG 20 5.261 8.032 13.675 161 HH22 ARG 20 2HH2 ARG 20 6.969 8.153 13.928 162 H GLN 21 H GLN 21 2.694 4.637 8.250 163 HA GLN 21 HA GLN 21 0.713 6.308 9.757 164 HB2 GLN 21 2HB GLN 21 2.782 6.891 7.627 165 HB3 GLN 21 1HB GLN 21 1.513 8.046 8.038 166 HG2 GLN 21 2HG GLN 21 2.260 7.949 10.422 167 HG3 GLN 21 1HG GLN 21 3.595 6.907 9.924 168 HE21 GLN 21 1HE2 GLN 21 2.171 9.931 8.545 169 HE22 GLN 21 2HE2 GLN 21 3.663 10.751 8.436 170 H CYS 22 H CYS 22 1.250 4.277 7.023 171 HA CYS 22 HA CYS 22 -1.011 5.348 5.451 172 HB2 CYS 22 2HB CYS 22 0.753 2.897 5.112 173 HB3 CYS 22 1HB CYS 22 -0.311 3.585 3.882 174 H ARG 23 H ARG 23 -2.992 4.516 5.401 175 HA ARG 23 HA ARG 23 -3.628 1.850 6.441 176 HB2 ARG 23 2HB ARG 23 -3.520 2.867 8.538 177 HB3 ARG 23 1HB ARG 23 -4.016 4.437 7.913 178 HG2 ARG 23 2HG ARG 23 -5.765 3.361 9.305 179 HG3 ARG 23 1HG ARG 23 -6.302 3.653 7.654 180 HD2 ARG 23 2HD ARG 23 -6.837 1.442 7.549 181 HD3 ARG 23 1HD ARG 23 -5.096 1.098 7.604 182 HE ARG 23 HE ARG 23 -5.468 0.348 9.805 183 HH11 ARG 23 1HH1 ARG 23 -8.502 0.810 9.239 184 HH12 ARG 23 2HH1 ARG 23 -8.928 1.727 10.645 185 HH21 ARG 23 1HH2 ARG 23 -5.644 2.424 11.510 186 HH22 ARG 23 2HH2 ARG 23 -7.309 2.640 11.932 187 H ALA 24 H ALA 24 -4.033 3.959 4.106 188 HA ALA 24 HA ALA 24 -6.622 4.777 3.680 189 HB1 ALA 24 3HB ALA 24 -4.800 3.222 1.808 190 HB2 ALA 24 1HB ALA 24 -4.754 4.963 2.086 191 HB3 ALA 24 2HB ALA 24 -6.147 4.233 1.287 192 HA PRO 25 HA PRO 25 -9.264 1.288 3.917 193 HB2 PRO 25 2HB PRO 25 -11.104 1.846 1.960 194 HB3 PRO 25 1HB PRO 25 -11.057 2.694 3.521 195 HG2 PRO 25 2HG PRO 25 -9.990 3.551 0.871 196 HG3 PRO 25 1HG PRO 25 -10.841 4.496 2.103 197 HD2 PRO 25 2HD PRO 25 -8.156 4.604 1.789 198 HD3 PRO 25 1HD PRO 25 -8.943 4.807 3.371 199 H ARG 26 H ARG 26 -8.312 2.198 0.621 200 HA ARG 26 HA ARG 26 -8.796 0.052 -0.931 201 HB2 ARG 26 2HB ARG 26 -7.121 2.242 -0.871 202 HB3 ARG 26 1HB ARG 26 -5.988 0.895 -0.988 203 HG2 ARG 26 2HG ARG 26 -8.225 0.454 -2.743 204 HG3 ARG 26 1HG ARG 26 -7.501 2.032 -3.066 205 HD2 ARG 26 2HD ARG 26 -5.342 1.081 -3.462 206 HD3 ARG 26 1HD ARG 26 -5.829 -0.480 -2.770 207 HE ARG 26 HE ARG 26 -7.279 -0.830 -4.719 208 HH11 ARG 26 1HH1 ARG 26 -6.929 2.382 -5.008 209 HH12 ARG 26 2HH1 ARG 26 -6.292 2.401 -6.618 210 HH21 ARG 26 1HH2 ARG 26 -5.714 -1.015 -6.716 211 HH22 ARG 26 2HH2 ARG 26 -5.605 0.479 -7.586 212 H ARG 27 H ARG 27 -5.767 0.275 0.914 213 HA ARG 27 HA ARG 27 -4.997 -2.405 0.576 214 HB2 ARG 27 2HB ARG 27 -4.261 -0.445 2.752 215 HB3 ARG 27 1HB ARG 27 -3.297 -1.823 2.221 216 HG2 ARG 27 2HG ARG 27 -4.076 0.527 0.466 217 HG3 ARG 27 1HG ARG 27 -2.507 0.308 1.223 218 HD2 ARG 27 2HD ARG 27 -3.434 -2.032 -0.328 219 HD3 ARG 27 1HD ARG 27 -3.091 -0.582 -1.291 220 HE ARG 27 HE ARG 27 -1.121 -1.616 0.713 221 HH11 ARG 27 1HH1 ARG 27 -0.747 0.966 -0.883 222 HH12 ARG 27 2HH1 ARG 27 0.311 0.424 -2.142 223 HH21 ARG 27 1HH2 ARG 27 -0.294 -2.941 -1.570 224 HH22 ARG 27 2HH2 ARG 27 0.568 -1.786 -2.530 225 H GLN 28 H GLN 28 -4.401 -3.605 2.791 226 HA GLN 28 HA GLN 28 -6.823 -3.711 4.546 227 HB2 GLN 28 2HB GLN 28 -5.586 -5.846 2.818 228 HB3 GLN 28 1HB GLN 28 -6.456 -6.298 4.285 229 HG2 GLN 28 2HG GLN 28 -8.458 -5.895 3.325 230 HG3 GLN 28 1HG GLN 28 -7.927 -4.321 2.730 231 HE21 GLN 28 1HE2 GLN 28 -6.022 -4.780 0.891 232 HE22 GLN 28 2HE2 GLN 28 -6.547 -5.846 -0.333 233 H GLY 29 H GLY 29 -5.340 -2.692 6.116 234 HA2 GLY 29 2HA GLY 29 -3.727 -2.723 7.824 235 HA3 GLY 29 1HA GLY 29 -4.222 -4.405 8.007 236 H CYS 30 H CYS 30 -2.719 -5.942 7.570 237 HA CYS 30 HA CYS 30 -0.003 -5.486 7.192 238 HB2 CYS 30 2HB CYS 30 -1.670 -7.627 7.472 239 HB3 CYS 30 1HB CYS 30 -1.108 -7.856 5.817 240 H TRP 31 H TRP 31 1.210 -6.414 5.146 241 HA TRP 31 HA TRP 31 0.077 -5.068 2.715 242 HB2 TRP 31 2HB TRP 31 2.419 -4.601 4.214 243 HB3 TRP 31 1HB TRP 31 2.937 -5.342 2.695 244 HD1 TRP 31 HD TRP 31 0.252 -2.738 3.665 245 HE1 TRP 31 1HE TRP 31 0.351 -0.815 1.953 246 HE3 TRP 31 3HE TRP 31 4.016 -4.416 0.718 247 HZ2 TRP 31 2HZ TRP 31 1.868 -0.087 -0.379 248 HZ3 TRP 31 3HZ TRP 31 4.781 -3.115 -1.253 249 HH2 TRP 31 HH TRP 31 3.707 -0.948 -1.803 250 H LYS 32 H LYS 32 2.246 -7.691 3.814 251 HA LYS 32 HA LYS 32 1.955 -9.001 1.158 252 HB2 LYS 32 2HB LYS 32 3.800 -10.407 2.027 253 HB3 LYS 32 1HB LYS 32 4.184 -8.692 2.184 254 HG2 LYS 32 2HG LYS 32 2.796 -9.385 4.540 255 HG3 LYS 32 1HG LYS 32 3.949 -10.690 4.258 256 HD2 LYS 32 2HD LYS 32 5.547 -8.588 3.721 257 HD3 LYS 32 1HD LYS 32 4.448 -7.821 4.869 258 HE2 LYS 32 2HE LYS 32 5.601 -8.799 6.553 259 HE3 LYS 32 1HE LYS 32 5.097 -10.385 5.932 260 HZ1 LYS 32 3HZ LYS 32 7.254 -8.905 4.585 261 HZ2 LYS 32 1HZ LYS 32 6.967 -10.577 4.626 262 HZ3 LYS 32 2HZ LYS 32 7.608 -9.793 5.990 263 H CYS 33 H CYS 33 0.051 -8.890 3.749 264 HA CYS 33 HA CYS 33 -0.500 -11.843 3.769 265 HB2 CYS 33 2HB CYS 33 -1.036 -9.765 5.914 266 HB3 CYS 33 1HB CYS 33 -1.212 -11.512 6.076 267 H GLY 34 H GLY 34 -2.006 -8.606 4.055 268 HA2 GLY 34 2HA GLY 34 -4.033 -7.887 3.039 269 HA3 GLY 34 1HA GLY 34 -4.296 -9.534 2.462 270 H LYS 35 H LYS 35 -4.552 -7.438 5.307 271 HA LYS 35 HA LYS 35 -6.704 -9.251 6.317 272 HB2 LYS 35 2HB LYS 35 -4.193 -8.283 7.677 273 HB3 LYS 35 1HB LYS 35 -5.616 -8.704 8.631 274 HG2 LYS 35 2HG LYS 35 -5.259 -10.778 6.723 275 HG3 LYS 35 1HG LYS 35 -3.679 -10.463 7.445 276 HD2 LYS 35 2HD LYS 35 -4.314 -11.560 9.301 277 HD3 LYS 35 1HD LYS 35 -5.612 -10.389 9.541 278 HE2 LYS 35 2HE LYS 35 -5.975 -12.614 7.540 279 HE3 LYS 35 1HE LYS 35 -6.252 -12.918 9.266 280 HZ1 LYS 35 3HZ LYS 35 -8.049 -11.600 9.299 281 HZ2 LYS 35 1HZ LYS 35 -8.063 -11.795 7.614 282 HZ3 LYS 35 2HZ LYS 35 -7.339 -10.420 8.302 283 H THR 36 H THR 36 -5.447 -6.659 8.272 284 HA THR 36 HA THR 36 -6.869 -4.418 7.325 285 HB THR 36 HB THR 36 -8.950 -5.441 7.436 286 HG1 THR 36 1HG THR 36 -9.275 -3.775 8.769 287 HG21 THR 36 3HG2 THR 36 -8.857 -7.573 8.194 288 HG22 THR 36 1HG2 THR 36 -9.269 -6.883 9.765 289 HG23 THR 36 2HG2 THR 36 -7.583 -7.201 9.353 290 H GLY 37 H GLY 37 -7.227 -5.836 10.572 291 HA2 GLY 37 2HA GLY 37 -6.102 -3.443 11.795 292 HA3 GLY 37 1HA GLY 37 -6.620 -4.895 12.653 293 H HIS 38 H HIS 38 -5.110 -6.890 11.930 294 HA HIS 38 HA HIS 38 -2.597 -6.587 13.106 295 HB2 HIS 38 2HB HIS 38 -2.987 -8.804 12.767 296 HB3 HIS 38 1HB HIS 38 -4.034 -8.483 11.390 297 HD1 HIS 38 1HD HIS 38 -3.146 -9.637 9.380 298 HD2 HIS 38 2HD HIS 38 -0.059 -8.157 11.758 299 HE1 HIS 38 1HE HIS 38 -0.989 -10.189 8.177 300 H VAL 39 H VAL 39 -0.446 -6.340 12.181 301 HA VAL 39 HA VAL 39 -0.302 -5.280 9.401 302 HB VAL 39 HB VAL 39 -0.684 -3.322 10.684 303 HG11 VAL 39 1HG1 VAL 39 -0.309 -4.464 12.894 304 HG12 VAL 39 2HG1 VAL 39 0.386 -2.845 12.805 305 HG13 VAL 39 3HG1 VAL 39 1.425 -4.260 12.642 306 HG21 VAL 39 3HG2 VAL 39 1.283 -3.205 9.154 307 HG22 VAL 39 1HG2 VAL 39 2.323 -3.590 10.521 308 HG23 VAL 39 2HG2 VAL 39 1.400 -2.090 10.514 309 H MET 40 H MET 40 2.107 -4.860 8.874 310 HA MET 40 HA MET 40 3.660 -7.150 8.957 311 HB2 MET 40 2HB MET 40 4.140 -5.095 7.668 312 HB3 MET 40 1HB MET 40 4.600 -4.267 9.156 313 HG2 MET 40 2HG MET 40 5.944 -6.856 8.460 314 HG3 MET 40 1HG MET 40 6.448 -5.384 7.632 315 HE1 MET 40 3HE MET 40 9.352 -5.206 9.940 316 HE2 MET 40 1HE MET 40 8.660 -4.749 8.377 317 HE3 MET 40 2HE MET 40 8.735 -6.445 8.848 318 H ALA 41 H ALA 41 3.193 -4.819 11.528 319 HA ALA 41 HA ALA 41 5.351 -5.387 13.267 320 HB1 ALA 41 3HB ALA 41 2.530 -5.019 14.238 321 HB2 ALA 41 1HB ALA 41 3.278 -3.730 13.295 322 HB3 ALA 41 2HB ALA 41 4.007 -4.247 14.815 323 H LYS 42 H LYS 42 2.189 -6.924 12.923 324 HA LYS 42 HA LYS 42 3.131 -9.213 14.609 325 HB2 LYS 42 2HB LYS 42 0.805 -7.441 14.510 326 HB3 LYS 42 1HB LYS 42 0.348 -9.155 14.560 327 HG2 LYS 42 2HG LYS 42 2.534 -8.522 16.395 328 HG3 LYS 42 1HG LYS 42 1.080 -7.586 16.741 329 HD2 LYS 42 2HD LYS 42 0.065 -10.109 16.245 330 HD3 LYS 42 1HD LYS 42 1.574 -10.458 17.090 331 HE2 LYS 42 2HE LYS 42 -0.068 -10.193 18.817 332 HE3 LYS 42 1HE LYS 42 0.822 -8.656 18.795 333 HZ1 LYS 42 3HZ LYS 42 -0.835 -7.626 17.541 334 HZ2 LYS 42 1HZ LYS 42 -1.711 -8.531 18.676 335 HZ3 LYS 42 2HZ LYS 42 -1.549 -9.099 17.083 336 H CYS 43 H CYS 43 3.486 -8.901 11.695 337 HA CYS 43 HA CYS 43 1.486 -10.672 10.453 338 HB2 CYS 43 2HB CYS 43 2.373 -8.627 9.376 339 HB3 CYS 43 1HB CYS 43 3.986 -9.341 9.384 340 HA PRO 44 HA PRO 44 5.525 -13.306 10.281 341 HB2 PRO 44 2HB PRO 44 6.853 -13.496 12.667 342 HB3 PRO 44 1HB PRO 44 7.285 -12.327 11.403 343 HG2 PRO 44 2HG PRO 44 5.749 -11.922 13.910 344 HG3 PRO 44 1HG PRO 44 6.906 -10.850 13.107 345 HD2 PRO 44 2HD PRO 44 4.199 -10.549 12.983 346 HD3 PRO 44 1HD PRO 44 5.315 -9.951 11.738 347 H GLU 45 H GLU 45 3.625 -14.701 10.264 348 HA GLU 45 HA GLU 45 2.915 -15.981 12.866 349 HB2 GLU 45 2HB GLU 45 1.636 -16.278 10.133 350 HB3 GLU 45 1HB GLU 45 0.918 -16.662 11.697 351 HG2 GLU 45 2HG GLU 45 1.154 -14.218 12.303 352 HG3 GLU 45 1HG GLU 45 1.619 -13.916 10.629 353 H ARG 46 H ARG 46 5.460 -16.533 11.452 354 HA ARG 46 HA ARG 46 6.772 -18.428 10.937 355 HB2 ARG 46 2HB ARG 46 4.420 -19.325 12.466 356 HB3 ARG 46 1HB ARG 46 5.161 -20.594 11.492 357 HG2 ARG 46 2HG ARG 46 6.224 -20.567 13.680 358 HG3 ARG 46 1HG ARG 46 7.379 -19.988 12.479 359 HD2 ARG 46 2HD ARG 46 5.884 -17.728 13.399 360 HD3 ARG 46 1HD ARG 46 6.471 -18.620 14.817 361 HE ARG 46 HE ARG 46 8.618 -18.593 13.021 362 HH11 ARG 46 1HH2 ARG 46 8.211 -17.190 15.803 363 HH12 ARG 46 2HH2 ARG 46 8.737 -15.591 15.396 364 HH21 ARG 46 1HH1 ARG 46 8.618 -16.138 11.973 365 HH22 ARG 46 2HH1 ARG 46 8.968 -14.996 13.227 366 H GLN 47 H GLN 47 7.167 -19.242 8.913 367 HA GLN 47 HA GLN 47 4.848 -19.568 7.055 368 HB2 GLN 47 2HB GLN 47 7.829 -19.173 6.643 369 HB3 GLN 47 1HB GLN 47 6.660 -19.348 5.333 370 HG2 GLN 47 2HG GLN 47 5.718 -17.367 7.202 371 HG3 GLN 47 1HG GLN 47 7.362 -16.970 6.699 372 HE21 GLN 47 1HE2 GLN 47 4.351 -16.139 5.877 373 HE22 GLN 47 2HE2 GLN 47 4.491 -16.019 4.190 374 H ALA 48 H ALA 48 4.370 -21.586 6.267 375 HA ALA 48 HA ALA 48 6.357 -23.703 6.016 376 HB1 ALA 48 3HB ALA 48 4.758 -23.345 8.454 377 HB2 ALA 48 1HB ALA 48 6.197 -24.330 8.197 378 HB3 ALA 48 2HB ALA 48 4.608 -24.959 7.762 379 H GLY 49 H GLY 49 2.873 -23.761 6.826 380 HA2 GLY 49 2HA GLY 49 2.395 -25.235 4.288 381 HA3 GLY 49 1HA GLY 49 1.288 -25.177 5.661 Start of MODEL 5 1 H1 ALA 1 1HT ALA 1 3.653 24.102 -6.378 2 H2 ALA 1 2HT ALA 1 4.831 24.757 -5.343 3 H3 ALA 1 3HT ALA 1 3.181 24.901 -4.959 4 HA ALA 1 HA ALA 1 3.030 22.465 -4.732 5 HB1 ALA 1 3HB ALA 1 4.668 21.340 -5.808 6 HB2 ALA 1 1HB ALA 1 5.792 21.878 -4.560 7 HB3 ALA 1 2HB ALA 1 5.588 22.828 -6.033 8 H GLN 2 H GLN 2 3.825 21.392 -2.658 9 HA GLN 2 HA GLN 2 5.403 22.923 -0.761 10 HB2 GLN 2 2HB GLN 2 3.607 23.742 0.611 11 HB3 GLN 2 1HB GLN 2 3.206 24.198 -1.045 12 HG2 GLN 2 2HG GLN 2 1.694 22.317 -1.260 13 HG3 GLN 2 1HG GLN 2 2.187 21.688 0.311 14 HE21 GLN 2 1HE2 GLN 2 2.164 24.966 0.801 15 HE22 GLN 2 2HE2 GLN 2 0.562 25.166 1.318 16 H GLN 3 H GLN 3 4.821 21.956 1.587 17 HA GLN 3 HA GLN 3 4.650 20.032 2.957 18 HB2 GLN 3 2HB GLN 3 2.700 19.854 0.921 19 HB3 GLN 3 1HB GLN 3 3.459 18.263 0.998 20 HG2 GLN 3 2HG GLN 3 2.960 18.030 3.323 21 HG3 GLN 3 1HG GLN 3 2.513 19.730 3.467 22 HE21 GLN 3 1HE2 GLN 3 1.555 17.403 0.902 23 HE22 GLN 3 2HE2 GLN 3 -0.110 17.521 1.204 24 H ARG 4 H ARG 4 7.002 19.785 2.789 25 HA ARG 4 HA ARG 4 8.163 18.152 0.656 26 HB2 ARG 4 2HB ARG 4 10.211 18.502 1.965 27 HB3 ARG 4 1HB ARG 4 9.313 20.017 1.862 28 HG2 ARG 4 2HG ARG 4 8.215 19.239 4.098 29 HG3 ARG 4 1HG ARG 4 9.600 18.153 4.208 30 HD2 ARG 4 2HD ARG 4 10.389 20.880 3.469 31 HD3 ARG 4 1HD ARG 4 9.584 20.800 5.050 32 HE ARG 4 HE ARG 4 11.232 19.074 5.714 33 HH11 ARG 4 1HH1 ARG 4 12.191 18.096 3.117 34 HH12 ARG 4 2HH1 ARG 4 13.701 18.918 2.916 35 HH21 ARG 4 1HH2 ARG 4 13.021 21.318 5.326 36 HH22 ARG 4 2HH2 ARG 4 14.173 20.740 4.167 37 H LYS 5 H LYS 5 8.875 15.976 0.877 38 HA LYS 5 HA LYS 5 7.394 14.052 2.143 39 HB2 LYS 5 2HB LYS 5 9.605 12.740 2.207 40 HB3 LYS 5 1HB LYS 5 9.148 13.431 0.651 41 HG2 LYS 5 2HG LYS 5 10.601 15.395 1.119 42 HG3 LYS 5 1HG LYS 5 11.092 14.648 2.638 43 HD2 LYS 5 2HD LYS 5 11.440 12.676 0.640 44 HD3 LYS 5 1HD LYS 5 12.111 14.168 -0.016 45 HE2 LYS 5 2HE LYS 5 13.780 14.278 1.576 46 HE3 LYS 5 1HE LYS 5 12.779 13.508 2.824 47 HZ1 LYS 5 3HZ LYS 5 12.935 11.422 1.645 48 HZ2 LYS 5 1HZ LYS 5 14.495 11.996 1.977 49 HZ3 LYS 5 2HZ LYS 5 13.853 12.143 0.411 50 H VAL 6 H VAL 6 6.947 13.514 4.228 51 HA VAL 6 HA VAL 6 8.931 14.148 6.366 52 HB VAL 6 HB VAL 6 6.135 15.182 5.983 53 HG11 VAL 6 1HG1 VAL 6 5.599 14.446 8.078 54 HG12 VAL 6 2HG1 VAL 6 6.600 15.803 8.596 55 HG13 VAL 6 3HG1 VAL 6 7.286 14.180 8.523 56 HG21 VAL 6 3HG2 VAL 6 8.856 16.214 6.638 57 HG22 VAL 6 1HG2 VAL 6 7.479 17.083 7.315 58 HG23 VAL 6 2HG2 VAL 6 7.627 16.889 5.568 59 H ILE 7 H ILE 7 9.307 12.000 6.949 60 HA ILE 7 HA ILE 7 8.851 9.899 7.912 61 HB ILE 7 HB ILE 7 7.115 11.851 8.999 62 HG12 ILE 7 2HG1 ILE 7 8.790 10.271 10.091 63 HG13 ILE 7 1HG1 ILE 7 7.281 10.512 10.973 64 HG21 ILE 7 1HG2 ILE 7 5.069 10.655 9.502 65 HG22 ILE 7 2HG2 ILE 7 5.647 9.220 8.656 66 HG23 ILE 7 3HG2 ILE 7 5.268 10.684 7.749 67 HD11 ILE 7 3HD1 ILE 7 6.846 8.309 10.870 68 HD12 ILE 7 1HD1 ILE 7 8.380 8.058 10.037 69 HD13 ILE 7 2HD1 ILE 7 6.912 8.366 9.109 70 H ARG 8 H ARG 8 8.126 7.963 7.033 71 HA ARG 8 HA ARG 8 6.195 8.172 4.753 72 HB2 ARG 8 2HB ARG 8 8.322 7.426 4.013 73 HB3 ARG 8 1HB ARG 8 8.546 6.401 5.430 74 HG2 ARG 8 2HG ARG 8 7.464 4.668 4.464 75 HG3 ARG 8 1HG ARG 8 6.138 5.701 3.929 76 HD2 ARG 8 2HD ARG 8 7.487 4.633 2.045 77 HD3 ARG 8 1HD ARG 8 7.395 6.404 1.971 78 HE ARG 8 HE ARG 8 9.687 6.518 2.603 79 HH11 ARG 8 1HH1 ARG 8 9.412 4.516 4.879 80 HH12 ARG 8 2HH1 ARG 8 10.474 3.255 4.350 81 HH21 ARG 8 1HH2 ARG 8 10.617 4.388 1.075 82 HH22 ARG 8 2HH2 ARG 8 11.156 3.182 2.195 83 H CYS 9 H CYS 9 4.196 7.703 5.622 84 HA CYS 9 HA CYS 9 3.611 6.069 7.852 85 HB2 CYS 9 2HB CYS 9 1.340 6.152 6.957 86 HB3 CYS 9 1HB CYS 9 2.130 7.702 6.648 87 H TRP 10 H TRP 10 3.321 3.846 8.092 88 HA TRP 10 HA TRP 10 4.280 2.130 5.909 89 HB2 TRP 10 2HB TRP 10 4.670 0.635 7.609 90 HB3 TRP 10 1HB TRP 10 4.541 2.085 8.594 91 HD1 TRP 10 HD TRP 10 2.210 -0.697 7.255 92 HE1 TRP 10 1HE TRP 10 0.453 -1.216 9.059 93 HE3 TRP 10 3HE TRP 10 3.500 2.790 10.729 94 HZ2 TRP 10 2HZ TRP 10 -0.307 -0.260 11.655 95 HZ3 TRP 10 3HZ TRP 10 2.252 2.971 12.864 96 HH2 TRP 10 HH TRP 10 0.349 1.451 13.328 97 H ASN 11 H ASN 11 1.217 3.199 7.158 98 HA ASN 11 HA ASN 11 -0.453 1.021 6.452 99 HB2 ASN 11 2HB ASN 11 -1.380 2.836 7.675 100 HB3 ASN 11 1HB ASN 11 -0.789 4.024 6.512 101 HD21 ASN 11 1HD2 ASN 11 -3.101 1.267 6.759 102 HD22 ASN 11 2HD2 ASN 11 -4.176 1.874 5.593 103 H CYS 12 H CYS 12 0.155 3.965 4.493 104 HA CYS 12 HA CYS 12 -0.502 2.395 2.043 105 HB2 CYS 12 2HB CYS 12 -1.055 4.522 1.097 106 HB3 CYS 12 1HB CYS 12 -1.688 4.540 2.743 107 H GLY 13 H GLY 13 2.150 3.696 3.769 108 HA2 GLY 13 2HA GLY 13 4.447 3.647 3.254 109 HA3 GLY 13 1HA GLY 13 4.035 2.828 1.751 110 H LYS 14 H LYS 14 4.116 6.057 3.269 111 HA LYS 14 HA LYS 14 5.034 7.187 0.702 112 HB2 LYS 14 2HB LYS 14 2.449 7.014 0.799 113 HB3 LYS 14 1HB LYS 14 2.547 8.318 1.983 114 HG2 LYS 14 2HG LYS 14 4.033 8.601 -0.605 115 HG3 LYS 14 1HG LYS 14 2.291 8.881 -0.586 116 HD2 LYS 14 2HD LYS 14 2.516 10.590 1.111 117 HD3 LYS 14 1HD LYS 14 4.229 10.222 1.318 118 HE2 LYS 14 2HE LYS 14 3.471 10.844 -1.468 119 HE3 LYS 14 1HE LYS 14 3.286 12.198 -0.336 120 HZ1 LYS 14 3HZ LYS 14 5.699 10.522 -0.761 121 HZ2 LYS 14 1HZ LYS 14 5.527 11.592 0.545 122 HZ3 LYS 14 2HZ LYS 14 5.541 12.191 -1.045 123 H GLU 15 H GLU 15 6.654 8.563 1.282 124 HA GLU 15 HA GLU 15 7.201 9.438 3.940 125 HB2 GLU 15 2HB GLU 15 8.304 9.580 1.321 126 HB3 GLU 15 1HB GLU 15 8.280 11.221 1.966 127 HG2 GLU 15 2HG GLU 15 9.370 10.378 4.048 128 HG3 GLU 15 1HG GLU 15 9.484 8.782 3.305 129 H GLY 16 H GLY 16 4.890 10.218 4.414 130 HA2 GLY 16 2HA GLY 16 4.793 13.146 3.969 131 HA3 GLY 16 1HA GLY 16 3.384 12.207 3.468 132 H HIS 17 H HIS 17 3.426 10.289 5.576 133 HA HIS 17 HA HIS 17 3.337 11.765 8.127 134 HB2 HIS 17 2HB HIS 17 0.850 11.137 8.320 135 HB3 HIS 17 1HB HIS 17 1.238 12.452 7.211 136 HD1 HIS 17 1HD HIS 17 1.611 11.608 4.606 137 HD2 HIS 17 2HD HIS 17 -0.566 9.093 7.121 138 HE1 HIS 17 1HE HIS 17 0.344 10.015 3.100 139 H SER 18 H SER 18 1.732 9.974 9.548 140 HA SER 18 HA SER 18 3.380 7.489 9.399 141 HB2 SER 18 2HB SER 18 1.910 7.403 11.722 142 HB3 SER 18 1HB SER 18 3.515 8.121 11.582 143 HG SER 18 HG SER 18 1.642 9.429 12.450 144 H ALA 19 H ALA 19 2.246 5.409 9.730 145 HA ALA 19 HA ALA 19 0.114 4.904 7.979 146 HB1 ALA 19 3HB ALA 19 0.811 3.508 10.579 147 HB2 ALA 19 1HB ALA 19 1.622 3.239 9.038 148 HB3 ALA 19 2HB ALA 19 -0.073 2.790 9.235 149 H ARG 20 H ARG 20 -0.100 5.318 11.536 150 HA ARG 20 HA ARG 20 -2.797 5.076 12.024 151 HB2 ARG 20 2HB ARG 20 -1.028 5.724 13.648 152 HB3 ARG 20 1HB ARG 20 -0.994 7.342 12.944 153 HG2 ARG 20 2HG ARG 20 -3.623 7.188 13.421 154 HG3 ARG 20 1HG ARG 20 -3.073 6.066 14.668 155 HD2 ARG 20 2HD ARG 20 -1.301 8.053 15.099 156 HD3 ARG 20 1HD ARG 20 -2.651 9.011 14.459 157 HE ARG 20 HE ARG 20 -3.999 7.474 16.193 158 HH11 ARG 20 1HH1 ARG 20 -0.810 7.436 16.969 159 HH12 ARG 20 2HH1 ARG 20 -0.947 8.282 18.475 160 HH21 ARG 20 1HH2 ARG 20 -4.239 9.233 17.946 161 HH22 ARG 20 2HH2 ARG 20 -2.886 9.301 19.026 162 H GLN 21 H GLN 21 -1.214 7.781 10.370 163 HA GLN 21 HA GLN 21 -3.684 9.348 10.126 164 HB2 GLN 21 2HB GLN 21 -0.814 9.504 9.247 165 HB3 GLN 21 1HB GLN 21 -1.999 10.571 8.493 166 HG2 GLN 21 2HG GLN 21 -2.666 10.856 11.114 167 HG3 GLN 21 1HG GLN 21 -0.928 10.591 11.248 168 HE21 GLN 21 1HE2 GLN 21 0.104 12.586 11.336 169 HE22 GLN 21 2HE2 GLN 21 -0.298 13.937 10.376 170 H CYS 22 H CYS 22 -1.622 7.389 7.973 171 HA CYS 22 HA CYS 22 -3.488 7.717 5.705 172 HB2 CYS 22 2HB CYS 22 -0.773 7.337 6.034 173 HB3 CYS 22 1HB CYS 22 -1.323 5.736 5.553 174 H ARG 23 H ARG 23 -4.817 6.105 4.927 175 HA ARG 23 HA ARG 23 -4.839 3.486 6.367 176 HB2 ARG 23 2HB ARG 23 -6.639 5.504 6.802 177 HB3 ARG 23 1HB ARG 23 -7.432 4.622 5.497 178 HG2 ARG 23 2HG ARG 23 -6.404 2.697 7.336 179 HG3 ARG 23 1HG ARG 23 -7.280 3.914 8.266 180 HD2 ARG 23 2HD ARG 23 -8.582 2.956 5.754 181 HD3 ARG 23 1HD ARG 23 -8.556 1.840 7.133 182 HE ARG 23 HE ARG 23 -9.488 4.658 7.484 183 HH11 ARG 23 1HH1 ARG 23 -10.950 1.860 6.628 184 HH12 ARG 23 2HH1 ARG 23 -11.926 1.680 8.048 185 HH21 ARG 23 1HH2 ARG 23 -10.288 4.178 9.810 186 HH22 ARG 23 2HH2 ARG 23 -11.551 2.994 9.849 187 H ALA 24 H ALA 24 -4.207 4.906 3.552 188 HA ALA 24 HA ALA 24 -4.489 4.356 1.259 189 HB1 ALA 24 3HB ALA 24 -3.196 2.509 2.577 190 HB2 ALA 24 1HB ALA 24 -3.787 2.106 0.965 191 HB3 ALA 24 2HB ALA 24 -4.669 1.558 2.392 192 HA PRO 25 HA PRO 25 -8.690 3.161 0.373 193 HB2 PRO 25 2HB PRO 25 -9.077 0.531 -0.332 194 HB3 PRO 25 1HB PRO 25 -8.387 1.736 -1.438 195 HG2 PRO 25 2HG PRO 25 -7.016 -0.342 0.190 196 HG3 PRO 25 1HG PRO 25 -6.665 0.220 -1.452 197 HD2 PRO 25 2HD PRO 25 -5.243 0.983 0.718 198 HD3 PRO 25 1HD PRO 25 -5.429 2.012 -0.717 199 H ARG 26 H ARG 26 -8.527 -0.180 1.419 200 HA ARG 26 HA ARG 26 -9.969 0.544 3.842 201 HB2 ARG 26 2HB ARG 26 -10.864 -1.581 3.700 202 HB3 ARG 26 1HB ARG 26 -10.388 -1.385 2.017 203 HG2 ARG 26 2HG ARG 26 -9.430 -3.450 2.515 204 HG3 ARG 26 1HG ARG 26 -8.086 -2.365 2.866 205 HD2 ARG 26 2HD ARG 26 -8.362 -3.959 4.723 206 HD3 ARG 26 1HD ARG 26 -8.813 -2.340 5.281 207 HE ARG 26 HE ARG 26 -10.928 -4.155 4.216 208 HH11 ARG 26 1HH2 ARG 26 -10.307 -4.865 7.005 209 HH12 ARG 26 2HH2 ARG 26 -11.326 -3.803 7.918 210 HH21 ARG 26 1HH1 ARG 26 -11.915 -1.655 5.262 211 HH22 ARG 26 2HH1 ARG 26 -12.234 -1.983 6.932 212 H ARG 27 H ARG 27 -6.931 -0.601 2.698 213 HA ARG 27 HA ARG 27 -4.979 -0.055 4.313 214 HB2 ARG 27 2HB ARG 27 -6.857 -1.784 5.908 215 HB3 ARG 27 1HB ARG 27 -5.126 -1.909 6.197 216 HG2 ARG 27 2HG ARG 27 -5.662 0.846 6.040 217 HG3 ARG 27 1HG ARG 27 -6.932 0.164 7.054 218 HD2 ARG 27 2HD ARG 27 -3.949 -0.259 7.446 219 HD3 ARG 27 1HD ARG 27 -4.998 0.761 8.453 220 HE ARG 27 HE ARG 27 -5.168 -2.209 8.265 221 HH11 ARG 27 1HH1 ARG 27 -7.002 0.515 9.052 222 HH12 ARG 27 2HH1 ARG 27 -7.471 -0.048 10.621 223 HH21 ARG 27 1HH2 ARG 27 -5.391 -2.826 10.530 224 HH22 ARG 27 2HH2 ARG 27 -6.557 -1.944 11.460 225 H GLN 28 H GLN 28 -3.369 -1.998 4.841 226 HA GLN 28 HA GLN 28 -3.405 -3.722 2.445 227 HB2 GLN 28 2HB GLN 28 -1.481 -2.843 4.530 228 HB3 GLN 28 1HB GLN 28 -1.178 -4.427 3.820 229 HG2 GLN 28 2HG GLN 28 -0.014 -2.626 2.578 230 HG3 GLN 28 1HG GLN 28 -1.204 -3.455 1.574 231 HE21 GLN 28 1HE2 GLN 28 -1.784 -0.945 4.084 232 HE22 GLN 28 2HE2 GLN 28 -2.508 0.170 3.013 233 H GLY 29 H GLY 29 -5.472 -4.330 4.137 234 HA2 GLY 29 2HA GLY 29 -6.288 -5.949 5.722 235 HA3 GLY 29 1HA GLY 29 -5.764 -6.966 4.382 236 H CYS 30 H CYS 30 -3.785 -8.055 4.535 237 HA CYS 30 HA CYS 30 -2.834 -8.557 7.294 238 HB2 CYS 30 2HB CYS 30 -3.268 -10.012 4.957 239 HB3 CYS 30 1HB CYS 30 -1.513 -9.891 5.066 240 H TRP 31 H TRP 31 -0.937 -7.614 8.033 241 HA TRP 31 HA TRP 31 0.872 -6.417 5.969 242 HB2 TRP 31 2HB TRP 31 -0.373 -5.347 8.277 243 HB3 TRP 31 1HB TRP 31 1.356 -5.458 8.633 244 HD1 TRP 31 HD TRP 31 -1.077 -3.982 6.086 245 HE1 TRP 31 1HE TRP 31 0.116 -2.057 4.820 246 HE3 TRP 31 3HE TRP 31 3.616 -4.517 7.952 247 HZ2 TRP 31 2HZ TRP 31 2.765 -0.941 4.616 248 HZ3 TRP 31 3HZ TRP 31 5.465 -3.038 7.213 249 HH2 TRP 31 HH TRP 31 5.043 -1.252 5.547 250 H LYS 32 H LYS 32 0.587 -8.524 8.733 251 HA LYS 32 HA LYS 32 3.475 -8.954 9.024 252 HB2 LYS 32 2HB LYS 32 1.949 -9.138 10.922 253 HB3 LYS 32 1HB LYS 32 0.982 -10.341 10.065 254 HG2 LYS 32 2HG LYS 32 2.666 -11.982 10.215 255 HG3 LYS 32 1HG LYS 32 3.917 -10.788 10.569 256 HD2 LYS 32 2HD LYS 32 2.013 -10.442 12.589 257 HD3 LYS 32 1HD LYS 32 2.155 -12.191 12.400 258 HE2 LYS 32 2HE LYS 32 4.545 -12.115 12.756 259 HE3 LYS 32 1HE LYS 32 4.546 -10.341 12.688 260 HZ1 LYS 32 3HZ LYS 32 3.644 -10.164 14.732 261 HZ2 LYS 32 1HZ LYS 32 4.307 -11.708 14.964 262 HZ3 LYS 32 2HZ LYS 32 2.667 -11.543 14.550 263 H CYS 33 H CYS 33 1.270 -9.769 6.689 264 HA CYS 33 HA CYS 33 2.596 -12.401 6.110 265 HB2 CYS 33 2HB CYS 33 0.079 -12.212 6.671 266 HB3 CYS 33 1HB CYS 33 -0.086 -11.436 5.097 267 H GLY 34 H GLY 34 0.765 -9.929 4.257 268 HA2 GLY 34 2HA GLY 34 2.331 -8.567 2.685 269 HA3 GLY 34 1HA GLY 34 2.837 -10.160 2.119 270 H LYS 35 H LYS 35 -0.442 -9.110 3.004 271 HA LYS 35 HA LYS 35 -1.301 -8.950 0.204 272 HB2 LYS 35 2HB LYS 35 -1.215 -11.440 1.622 273 HB3 LYS 35 1HB LYS 35 -2.906 -11.013 1.358 274 HG2 LYS 35 2HG LYS 35 -0.752 -11.118 -0.777 275 HG3 LYS 35 1HG LYS 35 -2.035 -12.306 -0.549 276 HD2 LYS 35 2HD LYS 35 -2.571 -9.370 -1.069 277 HD3 LYS 35 1HD LYS 35 -2.501 -10.582 -2.348 278 HE2 LYS 35 2HE LYS 35 -4.215 -11.407 -0.113 279 HE3 LYS 35 1HE LYS 35 -4.780 -9.929 -0.917 280 HZ1 LYS 35 3HZ LYS 35 -4.609 -10.994 -3.036 281 HZ2 LYS 35 1HZ LYS 35 -5.536 -11.995 -2.030 282 HZ3 LYS 35 2HZ LYS 35 -3.914 -12.383 -2.350 283 H THR 36 H THR 36 -3.051 -7.593 0.140 284 HA THR 36 HA THR 36 -4.166 -6.456 2.540 285 HB THR 36 HB THR 36 -3.993 -5.206 0.479 286 HG1 THR 36 1HG THR 36 -5.809 -4.298 0.935 287 HG21 THR 36 3HG2 THR 36 -5.644 -6.030 -1.412 288 HG22 THR 36 1HG2 THR 36 -5.420 -7.593 -0.630 289 HG23 THR 36 2HG2 THR 36 -4.029 -6.723 -1.275 290 H GLY 37 H GLY 37 -6.780 -6.344 2.513 291 HA2 GLY 37 2HA GLY 37 -8.783 -7.500 2.909 292 HA3 GLY 37 1HA GLY 37 -8.222 -8.704 1.750 293 H HIS 38 H HIS 38 -7.382 -10.619 2.521 294 HA HIS 38 HA HIS 38 -7.991 -11.688 4.985 295 HB2 HIS 38 2HB HIS 38 -6.939 -13.419 3.979 296 HB3 HIS 38 1HB HIS 38 -6.423 -12.307 2.717 297 HD1 HIS 38 1HD HIS 38 -3.974 -12.524 2.353 298 HD2 HIS 38 2HD HIS 38 -4.962 -12.944 6.379 299 HE1 HIS 38 1HE HIS 38 -1.790 -12.859 3.590 300 H VAL 39 H VAL 39 -7.004 -11.779 7.044 301 HA VAL 39 HA VAL 39 -4.771 -9.823 7.510 302 HB VAL 39 HB VAL 39 -6.930 -10.505 9.506 303 HG11 VAL 39 1HG1 VAL 39 -4.648 -8.901 9.551 304 HG12 VAL 39 2HG1 VAL 39 -5.980 -8.848 10.705 305 HG13 VAL 39 3HG1 VAL 39 -5.972 -7.759 9.319 306 HG21 VAL 39 3HG2 VAL 39 -8.186 -9.833 7.551 307 HG22 VAL 39 1HG2 VAL 39 -7.080 -8.496 7.237 308 HG23 VAL 39 2HG2 VAL 39 -8.138 -8.452 8.648 309 H MET 40 H MET 40 -3.438 -10.379 9.455 310 HA MET 40 HA MET 40 -2.371 -12.938 9.523 311 HB2 MET 40 2HB MET 40 -1.417 -12.264 11.615 312 HB3 MET 40 1HB MET 40 -1.684 -10.767 10.722 313 HG2 MET 40 2HG MET 40 -3.988 -10.715 11.915 314 HG3 MET 40 1HG MET 40 -3.278 -11.896 13.018 315 HE1 MET 40 3HE MET 40 -3.088 -7.525 13.327 316 HE2 MET 40 1HE MET 40 -4.381 -8.728 13.240 317 HE3 MET 40 2HE MET 40 -3.476 -8.296 11.790 318 H ALA 41 H ALA 41 -5.364 -11.814 10.934 319 HA ALA 41 HA ALA 41 -5.856 -14.094 12.675 320 HB1 ALA 41 3HB ALA 41 -7.555 -12.708 13.285 321 HB2 ALA 41 1HB ALA 41 -8.183 -12.673 11.637 322 HB3 ALA 41 2HB ALA 41 -6.912 -11.551 12.119 323 H LYS 42 H LYS 42 -7.142 -13.017 9.564 324 HA LYS 42 HA LYS 42 -8.355 -15.685 9.077 325 HB2 LYS 42 2HB LYS 42 -8.872 -12.876 8.610 326 HB3 LYS 42 1HB LYS 42 -9.013 -13.793 7.097 327 HG2 LYS 42 2HG LYS 42 -10.240 -15.256 9.266 328 HG3 LYS 42 1HG LYS 42 -10.906 -13.624 9.190 329 HD2 LYS 42 2HD LYS 42 -10.570 -15.146 6.632 330 HD3 LYS 42 1HD LYS 42 -11.922 -15.561 7.686 331 HE2 LYS 42 2HE LYS 42 -11.604 -12.662 7.358 332 HE3 LYS 42 1HE LYS 42 -11.943 -13.504 5.833 333 HZ1 LYS 42 3HZ LYS 42 -13.918 -14.297 6.588 334 HZ2 LYS 42 1HZ LYS 42 -13.864 -12.880 7.520 335 HZ3 LYS 42 2HZ LYS 42 -13.410 -14.366 8.208 336 H CYS 43 H CYS 43 -5.423 -15.253 8.785 337 HA CYS 43 HA CYS 43 -4.958 -15.177 5.865 338 HB2 CYS 43 2HB CYS 43 -3.534 -14.125 7.738 339 HB3 CYS 43 1HB CYS 43 -2.995 -15.768 8.091 340 HA PRO 44 HA PRO 44 -5.330 -19.610 5.750 341 HB2 PRO 44 2HB PRO 44 -4.719 -19.906 3.100 342 HB3 PRO 44 1HB PRO 44 -6.301 -19.339 3.670 343 HG2 PRO 44 2HG PRO 44 -4.036 -17.800 2.531 344 HG3 PRO 44 1HG PRO 44 -5.778 -17.536 2.370 345 HD2 PRO 44 2HD PRO 44 -4.115 -16.106 4.047 346 HD3 PRO 44 1HD PRO 44 -5.874 -16.251 4.243 347 H GLU 45 H GLU 45 -2.552 -17.759 5.581 348 HA GLU 45 HA GLU 45 -0.243 -18.284 5.577 349 HB2 GLU 45 2HB GLU 45 -1.804 -20.284 7.067 350 HB3 GLU 45 1HB GLU 45 -0.211 -20.862 6.574 351 HG2 GLU 45 2HG GLU 45 0.784 -18.772 7.545 352 HG3 GLU 45 1HG GLU 45 -0.816 -18.347 8.158 353 H ARG 46 H ARG 46 -0.704 -18.410 3.054 354 HA ARG 46 HA ARG 46 -0.376 -19.544 0.998 355 HB2 ARG 46 2HB ARG 46 1.536 -21.125 2.738 356 HB3 ARG 46 1HB ARG 46 1.715 -20.743 1.025 357 HG2 ARG 46 2HG ARG 46 1.529 -18.246 1.912 358 HG3 ARG 46 1HG ARG 46 2.102 -18.979 3.411 359 HD2 ARG 46 2HD ARG 46 4.049 -18.256 2.135 360 HD3 ARG 46 1HD ARG 46 3.986 -20.028 2.064 361 HE ARG 46 HE ARG 46 2.927 -19.810 -0.177 362 HH11 ARG 46 1HH1 ARG 46 2.039 -16.977 -0.041 363 HH12 ARG 46 2HH1 ARG 46 3.250 -16.156 -0.969 364 HH21 ARG 46 1HH2 ARG 46 5.508 -18.784 -0.838 365 HH22 ARG 46 2HH2 ARG 46 5.214 -17.179 -1.418 366 H GLN 47 H GLN 47 -2.451 -20.629 0.871 367 HA GLN 47 HA GLN 47 -2.362 -23.524 1.666 368 HB2 GLN 47 2HB GLN 47 -3.997 -21.621 2.669 369 HB3 GLN 47 1HB GLN 47 -4.946 -22.100 1.261 370 HG2 GLN 47 2HG GLN 47 -5.097 -24.352 1.989 371 HG3 GLN 47 1HG GLN 47 -3.801 -24.143 3.167 372 HE21 GLN 47 1HE2 GLN 47 -4.790 -24.330 5.193 373 HE22 GLN 47 2HE2 GLN 47 -6.194 -23.499 5.661 374 H ALA 48 H ALA 48 -4.997 -23.771 0.196 375 HA ALA 48 HA ALA 48 -4.085 -24.756 -2.289 376 HB1 ALA 48 3HB ALA 48 -6.493 -24.722 -2.859 377 HB2 ALA 48 1HB ALA 48 -6.793 -23.617 -1.517 378 HB3 ALA 48 2HB ALA 48 -6.250 -25.265 -1.198 379 H GLY 49 H GLY 49 -3.371 -23.682 -4.087 380 HA2 GLY 49 2HA GLY 49 -4.638 -21.310 -5.109 381 HA3 GLY 49 1HA GLY 49 -3.121 -20.892 -4.312 Start of MODEL 6 1 H1 ALA 1 1HT ALA 1 8.799 22.525 7.286 2 H2 ALA 1 2HT ALA 1 8.457 21.176 8.259 3 H3 ALA 1 3HT ALA 1 9.042 20.962 6.678 4 HA ALA 1 HA ALA 1 10.815 22.591 8.223 5 HB1 ALA 1 3HB ALA 1 10.650 19.753 9.161 6 HB2 ALA 1 1HB ALA 1 9.483 20.904 9.810 7 HB3 ALA 1 2HB ALA 1 11.210 21.183 10.025 8 H GLN 2 H GLN 2 12.498 20.056 8.493 9 HA GLN 2 HA GLN 2 13.664 20.131 5.822 10 HB2 GLN 2 2HB GLN 2 14.160 18.662 8.411 11 HB3 GLN 2 1HB GLN 2 15.094 18.286 6.964 12 HG2 GLN 2 2HG GLN 2 15.294 20.978 6.932 13 HG3 GLN 2 1HG GLN 2 15.144 20.717 8.670 14 HE21 GLN 2 1HE2 GLN 2 17.598 21.660 7.861 15 HE22 GLN 2 2HE2 GLN 2 18.763 20.427 7.897 16 H GLN 3 H GLN 3 12.093 17.601 7.780 17 HA GLN 3 HA GLN 3 10.888 15.680 7.110 18 HB2 GLN 3 2HB GLN 3 10.514 17.751 5.148 19 HB3 GLN 3 1HB GLN 3 10.593 16.192 4.325 20 HG2 GLN 3 2HG GLN 3 8.697 15.388 5.364 21 HG3 GLN 3 1HG GLN 3 8.957 16.355 6.817 22 HE21 GLN 3 1HE2 GLN 3 9.179 18.944 5.738 23 HE22 GLN 3 2HE2 GLN 3 7.718 19.369 4.984 24 H ARG 4 H ARG 4 13.055 14.595 7.437 25 HA ARG 4 HA ARG 4 15.025 14.145 5.502 26 HB2 ARG 4 2HB ARG 4 15.315 11.970 6.735 27 HB3 ARG 4 1HB ARG 4 15.150 13.361 7.807 28 HG2 ARG 4 2HG ARG 4 12.531 12.633 7.454 29 HG3 ARG 4 1HG ARG 4 13.341 11.065 7.418 30 HD2 ARG 4 2HD ARG 4 14.070 11.239 9.615 31 HD3 ARG 4 1HD ARG 4 14.128 13.012 9.560 32 HE ARG 4 HE ARG 4 11.484 11.643 9.393 33 HH11 ARG 4 1HH1 ARG 4 12.902 14.560 9.981 34 HH12 ARG 4 2HH1 ARG 4 12.122 14.867 11.496 35 HH21 ARG 4 1HH2 ARG 4 10.829 11.661 11.781 36 HH22 ARG 4 2HH2 ARG 4 10.947 13.225 12.516 37 H LYS 5 H LYS 5 14.589 13.612 3.383 38 HA LYS 5 HA LYS 5 13.745 12.400 1.538 39 HB2 LYS 5 2HB LYS 5 13.349 10.355 3.749 40 HB3 LYS 5 1HB LYS 5 13.434 10.000 2.023 41 HG2 LYS 5 2HG LYS 5 15.732 11.084 2.027 42 HG3 LYS 5 1HG LYS 5 15.634 11.097 3.788 43 HD2 LYS 5 2HD LYS 5 14.933 8.499 2.633 44 HD3 LYS 5 1HD LYS 5 16.582 8.997 2.249 45 HE2 LYS 5 2HE LYS 5 17.117 8.208 4.321 46 HE3 LYS 5 1HE LYS 5 16.319 9.668 4.941 47 HZ1 LYS 5 3HZ LYS 5 15.041 7.044 4.383 48 HZ2 LYS 5 1HZ LYS 5 14.186 8.453 4.783 49 HZ3 LYS 5 2HZ LYS 5 15.258 7.763 5.907 50 H VAL 6 H VAL 6 11.686 11.645 0.596 51 HA VAL 6 HA VAL 6 9.358 12.883 1.889 52 HB VAL 6 HB VAL 6 8.301 12.215 -0.274 53 HG11 VAL 6 1HG1 VAL 6 9.227 14.053 -1.203 54 HG12 VAL 6 2HG1 VAL 6 10.808 13.280 -1.311 55 HG13 VAL 6 3HG1 VAL 6 10.323 14.087 0.179 56 HG21 VAL 6 3HG2 VAL 6 9.157 10.475 -1.418 57 HG22 VAL 6 1HG2 VAL 6 10.480 10.355 -0.258 58 HG23 VAL 6 2HG2 VAL 6 10.643 11.389 -1.678 59 H ILE 7 H ILE 7 9.448 11.302 3.748 60 HA ILE 7 HA ILE 7 9.249 8.800 4.301 61 HB ILE 7 HB ILE 7 6.593 10.205 4.560 62 HG12 ILE 7 2HG1 ILE 7 8.457 11.859 5.015 63 HG13 ILE 7 1HG1 ILE 7 7.458 11.501 6.417 64 HG21 ILE 7 1HG2 ILE 7 6.928 7.919 5.483 65 HG22 ILE 7 2HG2 ILE 7 6.628 9.109 6.749 66 HG23 ILE 7 3HG2 ILE 7 8.268 8.530 6.453 67 HD11 ILE 7 3HD1 ILE 7 9.073 10.034 7.344 68 HD12 ILE 7 1HD1 ILE 7 9.981 11.447 6.808 69 HD13 ILE 7 2HD1 ILE 7 9.990 9.973 5.839 70 H ARG 8 H ARG 8 8.931 7.043 2.963 71 HA ARG 8 HA ARG 8 6.915 7.046 0.832 72 HB2 ARG 8 2HB ARG 8 9.282 5.913 1.045 73 HB3 ARG 8 1HB ARG 8 8.389 4.637 1.874 74 HG2 ARG 8 2HG ARG 8 7.324 3.959 -0.031 75 HG3 ARG 8 1HG ARG 8 7.193 5.602 -0.662 76 HD2 ARG 8 2HD ARG 8 9.619 5.564 -1.226 77 HD3 ARG 8 1HD ARG 8 9.701 3.883 -0.661 78 HE ARG 8 HE ARG 8 8.141 3.265 -2.455 79 HH11 ARG 8 1HH2 ARG 8 10.371 5.568 -3.186 80 HH12 ARG 8 2HH2 ARG 8 9.517 6.272 -4.518 81 HH21 ARG 8 1HH1 ARG 8 6.570 4.566 -3.876 82 HH22 ARG 8 2HH1 ARG 8 7.367 5.705 -4.909 83 H CYS 9 H CYS 9 4.800 6.987 1.631 84 HA CYS 9 HA CYS 9 3.967 5.660 4.035 85 HB2 CYS 9 2HB CYS 9 2.754 7.486 2.929 86 HB3 CYS 9 1HB CYS 9 2.471 6.462 1.517 87 H TRP 10 H TRP 10 4.045 3.471 4.328 88 HA TRP 10 HA TRP 10 3.857 1.636 2.016 89 HB2 TRP 10 2HB TRP 10 5.345 0.557 3.325 90 HB3 TRP 10 1HB TRP 10 5.104 1.745 4.595 91 HD1 TRP 10 HD TRP 10 5.171 -1.733 4.324 92 HE1 TRP 10 1HE TRP 10 3.595 -2.940 5.963 93 HE3 TRP 10 3HE TRP 10 2.122 2.149 5.639 94 HZ2 TRP 10 2HZ TRP 10 1.347 -2.342 7.621 95 HZ3 TRP 10 3HZ TRP 10 0.279 1.801 7.255 96 HH2 TRP 10 HH TRP 10 -0.114 -0.435 8.247 97 H ASN 11 H ASN 11 1.549 3.245 3.501 98 HA ASN 11 HA ASN 11 -0.229 0.916 4.077 99 HB2 ASN 11 2HB ASN 11 0.190 3.000 5.593 100 HB3 ASN 11 1HB ASN 11 -0.872 3.836 4.457 101 HD21 ASN 11 1HD2 ASN 11 -3.076 2.763 4.102 102 HD22 ASN 11 2HD2 ASN 11 -3.780 1.945 5.411 103 H CYS 12 H CYS 12 0.227 3.657 1.930 104 HA CYS 12 HA CYS 12 -2.139 2.729 0.325 105 HB2 CYS 12 2HB CYS 12 -2.546 5.042 -0.203 106 HB3 CYS 12 1HB CYS 12 -2.288 4.955 1.542 107 H GLY 13 H GLY 13 1.239 3.542 0.373 108 HA2 GLY 13 2HA GLY 13 2.817 2.878 -1.303 109 HA3 GLY 13 1HA GLY 13 1.482 2.659 -2.437 110 H LYS 14 H LYS 14 2.490 5.457 -0.442 111 HA LYS 14 HA LYS 14 3.257 6.984 -2.831 112 HB2 LYS 14 2HB LYS 14 0.911 7.202 -3.097 113 HB3 LYS 14 1HB LYS 14 0.648 7.375 -1.362 114 HG2 LYS 14 2HG LYS 14 0.505 9.525 -2.756 115 HG3 LYS 14 1HG LYS 14 1.550 9.578 -1.337 116 HD2 LYS 14 2HD LYS 14 3.520 9.401 -2.634 117 HD3 LYS 14 1HD LYS 14 2.639 8.829 -4.049 118 HE2 LYS 14 2HE LYS 14 2.491 10.970 -4.779 119 HE3 LYS 14 1HE LYS 14 1.551 11.376 -3.329 120 HZ1 LYS 14 3HZ LYS 14 4.432 11.615 -3.799 121 HZ2 LYS 14 1HZ LYS 14 3.922 11.206 -2.234 122 HZ3 LYS 14 2HZ LYS 14 3.386 12.650 -2.951 123 H GLU 15 H GLU 15 5.046 7.997 -2.020 124 HA GLU 15 HA GLU 15 5.759 8.441 0.636 125 HB2 GLU 15 2HB GLU 15 6.314 10.027 -1.887 126 HB3 GLU 15 1HB GLU 15 7.202 10.260 -0.381 127 HG2 GLU 15 2HG GLU 15 8.502 8.475 -0.816 128 HG3 GLU 15 1HG GLU 15 7.082 7.447 -1.021 129 H GLY 16 H GLY 16 6.097 10.878 1.468 130 HA2 GLY 16 2HA GLY 16 4.958 13.125 1.453 131 HA3 GLY 16 1HA GLY 16 3.441 12.243 1.272 132 H HIS 17 H HIS 17 4.328 10.130 3.183 133 HA HIS 17 HA HIS 17 4.743 11.498 5.743 134 HB2 HIS 17 2HB HIS 17 2.457 10.670 6.550 135 HB3 HIS 17 1HB HIS 17 2.426 12.025 5.422 136 HD1 HIS 17 1HD HIS 17 1.951 11.377 2.849 137 HD2 HIS 17 2HD HIS 17 1.136 8.393 5.644 138 HE1 HIS 17 1HE HIS 17 0.475 9.684 1.678 139 H SER 18 H SER 18 4.029 9.634 7.532 140 HA SER 18 HA SER 18 5.773 7.369 6.914 141 HB2 SER 18 2HB SER 18 5.219 6.763 9.255 142 HB3 SER 18 1HB SER 18 5.707 8.446 9.112 143 HG SER 18 HG SER 18 3.000 7.772 8.851 144 H ALA 19 H ALA 19 4.702 5.196 7.971 145 HA ALA 19 HA ALA 19 2.532 4.512 6.081 146 HB1 ALA 19 3HB ALA 19 4.754 3.238 7.449 147 HB2 ALA 19 1HB ALA 19 3.877 2.702 6.017 148 HB3 ALA 19 2HB ALA 19 3.279 2.289 7.623 149 H ARG 20 H ARG 20 3.116 4.428 9.612 150 HA ARG 20 HA ARG 20 0.563 3.308 10.303 151 HB2 ARG 20 2HB ARG 20 1.272 3.764 12.527 152 HB3 ARG 20 1HB ARG 20 2.760 3.492 11.628 153 HG2 ARG 20 2HG ARG 20 1.824 6.307 11.674 154 HG3 ARG 20 1HG ARG 20 2.340 5.656 13.224 155 HD2 ARG 20 2HD ARG 20 4.177 4.896 11.086 156 HD3 ARG 20 1HD ARG 20 4.030 6.658 11.249 157 HE ARG 20 HE ARG 20 4.218 5.322 13.828 158 HH11 ARG 20 1HH2 ARG 20 5.548 7.682 11.908 159 HH12 ARG 20 2HH2 ARG 20 7.182 7.471 12.444 160 HH21 ARG 20 1HH1 ARG 20 6.507 4.559 14.203 161 HH22 ARG 20 2HH1 ARG 20 7.724 5.702 13.745 162 H GLN 21 H GLN 21 1.332 6.391 9.091 163 HA GLN 21 HA GLN 21 -0.824 7.802 10.541 164 HB2 GLN 21 2HB GLN 21 1.480 8.710 9.843 165 HB3 GLN 21 1HB GLN 21 0.833 8.768 8.203 166 HG2 GLN 21 2HG GLN 21 -0.193 10.711 8.668 167 HG3 GLN 21 1HG GLN 21 -1.109 9.919 9.951 168 HE21 GLN 21 1HE2 GLN 21 0.102 12.669 9.960 169 HE22 GLN 21 2HE2 GLN 21 1.156 12.696 11.300 170 H CYS 22 H CYS 22 -0.154 6.572 7.271 171 HA CYS 22 HA CYS 22 -2.759 7.541 6.260 172 HB2 CYS 22 2HB CYS 22 -0.205 6.957 5.235 173 HB3 CYS 22 1HB CYS 22 -1.271 5.729 4.552 174 H ARG 23 H ARG 23 -4.449 6.172 5.652 175 HA ARG 23 HA ARG 23 -4.267 3.328 6.527 176 HB2 ARG 23 2HB ARG 23 -5.880 3.984 7.997 177 HB3 ARG 23 1HB ARG 23 -6.026 5.555 7.223 178 HG2 ARG 23 2HG ARG 23 -8.174 4.530 7.025 179 HG3 ARG 23 1HG ARG 23 -7.436 4.387 5.431 180 HD2 ARG 23 2HD ARG 23 -7.674 2.138 5.541 181 HD3 ARG 23 1HD ARG 23 -6.651 2.106 6.989 182 HE ARG 23 HE ARG 23 -9.509 1.870 7.007 183 HH11 ARG 23 1HH1 ARG 23 -6.953 1.864 9.052 184 HH12 ARG 23 2HH1 ARG 23 -7.721 2.696 10.364 185 HH21 ARG 23 1HH2 ARG 23 -10.490 3.630 8.498 186 HH22 ARG 23 2HH2 ARG 23 -9.724 3.691 10.051 187 H ALA 24 H ALA 24 -4.506 5.450 3.939 188 HA ALA 24 HA ALA 24 -5.365 5.246 1.728 189 HB1 ALA 24 3HB ALA 24 -3.547 3.363 2.395 190 HB2 ALA 24 1HB ALA 24 -4.280 3.433 0.793 191 HB3 ALA 24 2HB ALA 24 -4.906 2.310 2.000 192 HA PRO 25 HA PRO 25 -9.384 3.440 1.606 193 HB2 PRO 25 2HB PRO 25 -9.532 1.407 -0.227 194 HB3 PRO 25 1HB PRO 25 -9.417 3.117 -0.686 195 HG2 PRO 25 2HG PRO 25 -7.310 1.026 -0.655 196 HG3 PRO 25 1HG PRO 25 -7.560 2.366 -1.783 197 HD2 PRO 25 2HD PRO 25 -5.698 2.362 0.220 198 HD3 PRO 25 1HD PRO 25 -6.386 3.836 -0.489 199 H ARG 26 H ARG 26 -8.622 0.161 0.760 200 HA ARG 26 HA ARG 26 -9.203 -0.606 3.496 201 HB2 ARG 26 2HB ARG 26 -9.192 -2.026 0.854 202 HB3 ARG 26 1HB ARG 26 -9.380 -2.908 2.369 203 HG2 ARG 26 2HG ARG 26 -11.265 -1.017 1.032 204 HG3 ARG 26 1HG ARG 26 -11.609 -2.494 1.925 205 HD2 ARG 26 2HD ARG 26 -11.063 -1.305 4.064 206 HD3 ARG 26 1HD ARG 26 -10.814 0.189 3.136 207 HE ARG 26 HE ARG 26 -13.393 -0.901 3.808 208 HH11 ARG 26 1HH2 ARG 26 -12.839 1.933 2.925 209 HH12 ARG 26 2HH2 ARG 26 -13.662 1.995 1.402 210 HH21 ARG 26 1HH1 ARG 26 -13.926 -1.448 1.101 211 HH22 ARG 26 2HH1 ARG 26 -14.278 0.082 0.370 212 H ARG 27 H ARG 27 -6.551 0.375 2.334 213 HA ARG 27 HA ARG 27 -4.267 -0.596 2.245 214 HB2 ARG 27 2HB ARG 27 -3.657 -0.137 4.671 215 HB3 ARG 27 1HB ARG 27 -4.552 1.149 3.855 216 HG2 ARG 27 2HG ARG 27 -6.051 1.011 5.534 217 HG3 ARG 27 1HG ARG 27 -6.547 -0.521 4.843 218 HD2 ARG 27 2HD ARG 27 -5.890 -1.495 6.785 219 HD3 ARG 27 1HD ARG 27 -4.224 -1.149 6.287 220 HE ARG 27 HE ARG 27 -5.032 1.255 7.331 221 HH11 ARG 27 1HH2 ARG 27 -4.915 -2.022 8.407 222 HH12 ARG 27 2HH2 ARG 27 -4.910 -1.608 10.088 223 HH21 ARG 27 1HH1 ARG 27 -5.132 1.806 9.528 224 HH22 ARG 27 2HH1 ARG 27 -5.033 0.556 10.723 225 H GLN 28 H GLN 28 -5.402 -2.885 1.796 226 HA GLN 28 HA GLN 28 -5.932 -5.103 2.893 227 HB2 GLN 28 2HB GLN 28 -3.151 -4.603 1.822 228 HB3 GLN 28 1HB GLN 28 -3.774 -6.223 2.141 229 HG2 GLN 28 2HG GLN 28 -4.937 -4.171 0.248 230 HG3 GLN 28 1HG GLN 28 -4.183 -5.706 -0.183 231 HE21 GLN 28 1HE2 GLN 28 -7.107 -4.227 1.143 232 HE22 GLN 28 2HE2 GLN 28 -8.056 -5.644 1.108 233 H GLY 29 H GLY 29 -6.031 -5.792 4.966 234 HA2 GLY 29 2HA GLY 29 -4.794 -4.955 7.223 235 HA3 GLY 29 1HA GLY 29 -5.154 -6.665 6.992 236 H CYS 30 H CYS 30 -3.448 -8.069 6.287 237 HA CYS 30 HA CYS 30 -0.777 -7.237 7.101 238 HB2 CYS 30 2HB CYS 30 -2.147 -9.588 6.886 239 HB3 CYS 30 1HB CYS 30 -1.160 -9.649 5.428 240 H TRP 31 H TRP 31 1.091 -7.285 5.566 241 HA TRP 31 HA TRP 31 0.295 -6.125 2.948 242 HB2 TRP 31 2HB TRP 31 2.322 -5.699 4.922 243 HB3 TRP 31 1HB TRP 31 3.109 -6.108 3.395 244 HD1 TRP 31 HD TRP 31 -0.087 -4.080 4.144 245 HE1 TRP 31 1HE TRP 31 0.082 -1.818 2.900 246 HE3 TRP 31 3HE TRP 31 4.538 -4.585 2.108 247 HZ2 TRP 31 2HZ TRP 31 1.977 -0.422 1.240 248 HZ3 TRP 31 3HZ TRP 31 5.517 -2.795 0.697 249 HH2 TRP 31 HH TRP 31 4.239 -0.714 0.261 250 H LYS 32 H LYS 32 2.823 -8.406 4.104 251 HA LYS 32 HA LYS 32 3.433 -9.502 1.565 252 HB2 LYS 32 2HB LYS 32 3.438 -10.738 4.342 253 HB3 LYS 32 1HB LYS 32 4.283 -11.411 2.948 254 HG2 LYS 32 2HG LYS 32 6.024 -10.045 3.331 255 HG3 LYS 32 1HG LYS 32 4.970 -8.644 3.146 256 HD2 LYS 32 2HD LYS 32 4.837 -8.304 5.383 257 HD3 LYS 32 1HD LYS 32 4.640 -10.025 5.719 258 HE2 LYS 32 2HE LYS 32 6.973 -10.411 5.749 259 HE3 LYS 32 1HE LYS 32 7.320 -8.898 4.887 260 HZ1 LYS 32 3HZ LYS 32 6.071 -7.845 6.881 261 HZ2 LYS 32 1HZ LYS 32 7.701 -8.283 7.060 262 HZ3 LYS 32 2HZ LYS 32 6.478 -9.287 7.681 263 H CYS 33 H CYS 33 0.882 -10.309 3.896 264 HA CYS 33 HA CYS 33 -0.691 -11.645 1.802 265 HB2 CYS 33 2HB CYS 33 -0.709 -13.805 3.019 266 HB3 CYS 33 1HB CYS 33 0.929 -13.367 2.530 267 H GLY 34 H GLY 34 -1.867 -9.608 2.765 268 HA2 GLY 34 2HA GLY 34 -3.114 -10.159 5.396 269 HA3 GLY 34 1HA GLY 34 -3.240 -8.648 4.497 270 H LYS 35 H LYS 35 -4.765 -8.520 2.773 271 HA LYS 35 HA LYS 35 -6.854 -8.977 1.759 272 HB2 LYS 35 2HB LYS 35 -5.480 -11.613 2.144 273 HB3 LYS 35 1HB LYS 35 -7.159 -11.619 1.602 274 HG2 LYS 35 2HG LYS 35 -6.405 -9.889 -0.159 275 HG3 LYS 35 1HG LYS 35 -4.761 -10.385 0.245 276 HD2 LYS 35 2HD LYS 35 -4.974 -12.379 -0.820 277 HD3 LYS 35 1HD LYS 35 -6.610 -12.632 -0.210 278 HE2 LYS 35 2HE LYS 35 -6.097 -10.549 -2.334 279 HE3 LYS 35 1HE LYS 35 -6.320 -12.254 -2.774 280 HZ1 LYS 35 3HZ LYS 35 -8.159 -10.739 -1.000 281 HZ2 LYS 35 1HZ LYS 35 -8.383 -12.310 -1.600 282 HZ3 LYS 35 2HZ LYS 35 -8.432 -10.984 -2.660 283 H THR 36 H THR 36 -6.601 -8.711 4.755 284 HA THR 36 HA THR 36 -9.325 -9.325 5.469 285 HB THR 36 HB THR 36 -8.545 -11.612 5.459 286 HG1 THR 36 1HG THR 36 -9.543 -11.830 7.275 287 HG21 THR 36 3HG2 THR 36 -6.476 -11.427 7.484 288 HG22 THR 36 1HG2 THR 36 -6.076 -10.441 6.079 289 HG23 THR 36 2HG2 THR 36 -6.405 -12.162 5.882 290 H GLY 37 H GLY 37 -8.213 -9.968 8.317 291 HA2 GLY 37 2HA GLY 37 -7.572 -7.127 8.981 292 HA3 GLY 37 1HA GLY 37 -8.362 -8.256 10.084 293 H HIS 38 H HIS 38 -6.630 -10.497 9.601 294 HA HIS 38 HA HIS 38 -4.659 -10.230 11.533 295 HB2 HIS 38 2HB HIS 38 -4.424 -12.389 10.911 296 HB3 HIS 38 1HB HIS 38 -5.487 -12.067 9.548 297 HD1 HIS 38 1HD HIS 38 -4.414 -13.069 7.541 298 HD2 HIS 38 2HD HIS 38 -1.622 -11.149 9.965 299 HE1 HIS 38 1HE HIS 38 -2.194 -13.234 6.338 300 H VAL 39 H VAL 39 -2.740 -9.148 11.678 301 HA VAL 39 HA VAL 39 -1.759 -7.717 9.240 302 HB VAL 39 HB VAL 39 -0.835 -6.145 10.859 303 HG11 VAL 39 1HG1 VAL 39 -3.654 -7.079 11.408 304 HG12 VAL 39 2HG1 VAL 39 -3.132 -5.712 10.423 305 HG13 VAL 39 3HG1 VAL 39 -2.978 -5.645 12.178 306 HG21 VAL 39 3HG2 VAL 39 -0.688 -6.554 13.163 307 HG22 VAL 39 1HG2 VAL 39 -0.336 -8.147 12.493 308 HG23 VAL 39 2HG2 VAL 39 -1.944 -7.790 13.122 309 H MET 40 H MET 40 0.723 -7.324 9.358 310 HA MET 40 HA MET 40 2.103 -9.847 9.272 311 HB2 MET 40 2HB MET 40 4.022 -8.415 8.792 312 HB3 MET 40 1HB MET 40 2.603 -7.739 7.990 313 HG2 MET 40 2HG MET 40 2.409 -6.487 10.378 314 HG3 MET 40 1HG MET 40 4.160 -6.682 10.288 315 HE1 MET 40 3HE MET 40 3.536 -4.070 10.617 316 HE2 MET 40 1HE MET 40 4.001 -3.061 9.240 317 HE3 MET 40 2HE MET 40 5.104 -4.292 9.846 318 H ALA 41 H ALA 41 1.370 -7.678 11.848 319 HA ALA 41 HA ALA 41 3.559 -8.039 13.631 320 HB1 ALA 41 3HB ALA 41 2.078 -7.100 15.182 321 HB2 ALA 41 1HB ALA 41 0.693 -7.977 14.534 322 HB3 ALA 41 2HB ALA 41 1.347 -6.593 13.658 323 H LYS 42 H LYS 42 1.135 -10.249 12.561 324 HA LYS 42 HA LYS 42 2.146 -12.295 14.471 325 HB2 LYS 42 2HB LYS 42 -0.338 -10.798 14.539 326 HB3 LYS 42 1HB LYS 42 -0.657 -12.540 14.411 327 HG2 LYS 42 2HG LYS 42 1.423 -11.597 16.346 328 HG3 LYS 42 1HG LYS 42 -0.277 -11.396 16.774 329 HD2 LYS 42 2HD LYS 42 0.808 -14.036 15.782 330 HD3 LYS 42 1HD LYS 42 0.845 -13.602 17.491 331 HE2 LYS 42 2HE LYS 42 -1.344 -14.140 17.712 332 HE3 LYS 42 1HE LYS 42 -1.778 -13.044 16.383 333 HZ1 LYS 42 3HZ LYS 42 -0.737 -14.854 14.911 334 HZ2 LYS 42 1HZ LYS 42 -2.296 -15.121 15.524 335 HZ3 LYS 42 2HZ LYS 42 -0.957 -15.877 16.248 336 H CYS 43 H CYS 43 1.834 -11.619 11.372 337 HA CYS 43 HA CYS 43 0.345 -14.009 10.469 338 HB2 CYS 43 2HB CYS 43 0.236 -11.742 9.387 339 HB3 CYS 43 1HB CYS 43 1.927 -11.934 8.926 340 HA PRO 44 HA PRO 44 4.106 -16.377 10.376 341 HB2 PRO 44 2HB PRO 44 3.064 -18.579 9.132 342 HB3 PRO 44 1HB PRO 44 2.785 -18.220 10.848 343 HG2 PRO 44 2HG PRO 44 0.995 -17.807 8.512 344 HG3 PRO 44 1HG PRO 44 0.602 -18.297 10.166 345 HD2 PRO 44 2HD PRO 44 0.243 -15.760 9.186 346 HD3 PRO 44 1HD PRO 44 0.466 -16.145 10.907 347 H GLU 45 H GLU 45 5.341 -15.187 8.833 348 HA GLU 45 HA GLU 45 4.678 -15.436 5.955 349 HB2 GLU 45 2HB GLU 45 5.917 -13.559 7.686 350 HB3 GLU 45 1HB GLU 45 7.164 -14.102 6.563 351 HG2 GLU 45 2HG GLU 45 4.417 -13.287 5.609 352 HG3 GLU 45 1HG GLU 45 5.717 -12.112 5.811 353 H ARG 46 H ARG 46 5.395 -17.918 7.151 354 HA ARG 46 HA ARG 46 6.992 -19.672 7.011 355 HB2 ARG 46 2HB ARG 46 7.497 -18.199 4.404 356 HB3 ARG 46 1HB ARG 46 7.731 -19.923 4.703 357 HG2 ARG 46 2HG ARG 46 5.050 -18.544 4.986 358 HG3 ARG 46 1HG ARG 46 5.577 -19.342 3.504 359 HD2 ARG 46 2HD ARG 46 5.964 -21.440 4.887 360 HD3 ARG 46 1HD ARG 46 5.134 -20.614 6.221 361 HE ARG 46 HE ARG 46 3.866 -21.079 3.546 362 HH11 ARG 46 1HH1 ARG 46 3.306 -19.448 6.372 363 HH12 ARG 46 2HH1 ARG 46 1.820 -20.245 6.770 364 HH21 ARG 46 1HH2 ARG 46 2.147 -22.661 4.304 365 HH22 ARG 46 2HH2 ARG 46 1.164 -22.065 5.600 366 H GLN 47 H GLN 47 8.267 -18.375 8.757 367 HA GLN 47 HA GLN 47 10.762 -17.149 7.685 368 HB2 GLN 47 2HB GLN 47 11.025 -16.547 10.132 369 HB3 GLN 47 1HB GLN 47 9.563 -15.908 9.382 370 HG2 GLN 47 2HG GLN 47 8.184 -17.517 10.427 371 HG3 GLN 47 1HG GLN 47 9.548 -18.568 10.805 372 HE21 GLN 47 1HE2 GLN 47 11.322 -17.204 12.208 373 HE22 GLN 47 2HE2 GLN 47 10.652 -16.373 13.528 374 H ALA 48 H ALA 48 11.463 -19.407 6.965 375 HA ALA 48 HA ALA 48 12.139 -21.338 9.073 376 HB1 ALA 48 3HB ALA 48 13.321 -22.311 6.902 377 HB2 ALA 48 1HB ALA 48 12.336 -21.094 6.092 378 HB3 ALA 48 2HB ALA 48 11.565 -22.352 7.058 379 H GLY 49 H GLY 49 13.708 -20.318 10.413 380 HA2 GLY 49 2HA GLY 49 16.261 -20.544 10.480 381 HA3 GLY 49 1HA GLY 49 16.244 -19.514 9.047 Start of MODEL 7 1 H1 ALA 1 1HT ALA 1 11.693 0.137 -14.802 2 H2 ALA 1 2HT ALA 1 11.019 -1.342 -15.295 3 H3 ALA 1 3HT ALA 1 11.520 -1.128 -13.685 4 HA ALA 1 HA ALA 1 9.346 0.462 -14.945 5 HB1 ALA 1 3HB ALA 1 9.294 -2.212 -14.596 6 HB2 ALA 1 1HB ALA 1 7.871 -1.204 -14.337 7 HB3 ALA 1 2HB ALA 1 8.854 -1.711 -12.963 8 H GLN 2 H GLN 2 11.687 1.138 -13.143 9 HA GLN 2 HA GLN 2 12.055 2.323 -11.131 10 HB2 GLN 2 2HB GLN 2 9.622 3.120 -12.404 11 HB3 GLN 2 1HB GLN 2 9.355 3.161 -10.660 12 HG2 GLN 2 2HG GLN 2 10.682 4.969 -10.409 13 HG3 GLN 2 1HG GLN 2 11.963 4.247 -11.381 14 HE21 GLN 2 1HE2 GLN 2 8.822 5.966 -11.707 15 HE22 GLN 2 2HE2 GLN 2 9.179 6.646 -13.220 16 H GLN 3 H GLN 3 12.150 -0.112 -10.329 17 HA GLN 3 HA GLN 3 9.918 -0.854 -8.532 18 HB2 GLN 3 2HB GLN 3 11.913 -2.145 -10.060 19 HB3 GLN 3 1HB GLN 3 12.314 -2.477 -8.375 20 HG2 GLN 3 2HG GLN 3 9.497 -2.746 -8.619 21 HG3 GLN 3 1HG GLN 3 10.217 -3.621 -9.971 22 HE21 GLN 3 1HE2 GLN 3 9.344 -3.982 -6.740 23 HE22 GLN 3 2HE2 GLN 3 10.361 -5.281 -6.339 24 H ARG 4 H ARG 4 10.120 -0.903 -6.256 25 HA ARG 4 HA ARG 4 10.934 -0.253 -4.137 26 HB2 ARG 4 2HB ARG 4 12.619 -1.912 -4.635 27 HB3 ARG 4 1HB ARG 4 13.482 -0.794 -5.691 28 HG2 ARG 4 2HG ARG 4 14.636 -0.881 -3.557 29 HG3 ARG 4 1HG ARG 4 13.862 0.697 -3.710 30 HD2 ARG 4 2HD ARG 4 11.880 -0.295 -2.426 31 HD3 ARG 4 1HD ARG 4 12.943 -1.666 -2.051 32 HE ARG 4 HE ARG 4 13.122 0.920 -0.823 33 HH11 ARG 4 1HH2 ARG 4 14.626 -2.051 -1.121 34 HH12 ARG 4 2HH2 ARG 4 16.206 -1.500 -0.673 35 HH21 ARG 4 1HH1 ARG 4 15.344 1.856 -0.737 36 HH22 ARG 4 2HH1 ARG 4 16.612 0.710 -0.456 37 H LYS 5 H LYS 5 11.546 1.679 -3.067 38 HA LYS 5 HA LYS 5 13.186 3.759 -4.041 39 HB2 LYS 5 2HB LYS 5 10.759 3.401 -5.508 40 HB3 LYS 5 1HB LYS 5 10.634 4.924 -4.627 41 HG2 LYS 5 2HG LYS 5 12.862 5.592 -5.517 42 HG3 LYS 5 1HG LYS 5 12.905 4.102 -6.463 43 HD2 LYS 5 2HD LYS 5 12.089 5.776 -7.952 44 HD3 LYS 5 1HD LYS 5 10.671 4.849 -7.464 45 HE2 LYS 5 2HE LYS 5 10.869 6.814 -5.495 46 HE3 LYS 5 1HE LYS 5 11.262 7.670 -7.000 47 HZ1 LYS 5 3HZ LYS 5 8.910 5.918 -6.520 48 HZ2 LYS 5 1HZ LYS 5 9.325 6.573 -8.029 49 HZ3 LYS 5 2HZ LYS 5 8.886 7.602 -6.750 50 H VAL 6 H VAL 6 13.525 4.043 -1.780 51 HA VAL 6 HA VAL 6 13.119 4.996 0.339 52 HB VAL 6 HB VAL 6 10.826 6.254 -1.202 53 HG11 VAL 6 1HG1 VAL 6 10.355 6.993 0.905 54 HG12 VAL 6 2HG1 VAL 6 11.692 8.103 0.599 55 HG13 VAL 6 3HG1 VAL 6 11.970 6.615 1.503 56 HG21 VAL 6 3HG2 VAL 6 13.409 7.657 -0.695 57 HG22 VAL 6 1HG2 VAL 6 12.309 7.792 -2.067 58 HG23 VAL 6 2HG2 VAL 6 13.402 6.413 -1.946 59 H ILE 7 H ILE 7 11.804 4.625 2.182 60 HA ILE 7 HA ILE 7 10.523 2.312 2.605 61 HB ILE 7 HB ILE 7 10.919 4.665 3.935 62 HG12 ILE 7 2HG1 ILE 7 10.882 2.280 4.779 63 HG13 ILE 7 1HG1 ILE 7 10.210 3.470 5.894 64 HG21 ILE 7 1HG2 ILE 7 8.913 5.613 4.694 65 HG22 ILE 7 2HG2 ILE 7 7.952 4.229 4.181 66 HG23 ILE 7 3HG2 ILE 7 8.595 5.345 2.980 67 HD11 ILE 7 3HD1 ILE 7 8.916 1.194 5.245 68 HD12 ILE 7 1HD1 ILE 7 8.306 2.247 3.969 69 HD13 ILE 7 2HD1 ILE 7 8.070 2.686 5.660 70 H ARG 8 H ARG 8 8.514 1.364 2.271 71 HA ARG 8 HA ARG 8 6.627 2.816 0.449 72 HB2 ARG 8 2HB ARG 8 6.055 0.632 -0.352 73 HB3 ARG 8 1HB ARG 8 7.811 0.638 -0.191 74 HG2 ARG 8 2HG ARG 8 7.472 -0.330 2.146 75 HG3 ARG 8 1HG ARG 8 5.786 -0.586 1.694 76 HD2 ARG 8 2HD ARG 8 6.316 -2.217 0.108 77 HD3 ARG 8 1HD ARG 8 7.961 -1.593 -0.126 78 HE ARG 8 HE ARG 8 7.245 -3.552 1.825 79 HH11 ARG 8 1HH2 ARG 8 9.610 -1.346 0.890 80 HH12 ARG 8 2HH2 ARG 8 10.460 -1.352 2.399 81 HH21 ARG 8 1HH1 ARG 8 8.071 -3.259 4.039 82 HH22 ARG 8 2HH1 ARG 8 9.590 -2.440 4.181 83 H CYS 9 H CYS 9 4.571 3.231 1.206 84 HA CYS 9 HA CYS 9 3.910 2.951 3.980 85 HB2 CYS 9 2HB CYS 9 1.789 3.885 3.247 86 HB3 CYS 9 1HB CYS 9 3.080 4.639 2.306 87 H TRP 10 H TRP 10 2.229 1.621 4.929 88 HA TRP 10 HA TRP 10 2.128 -1.137 3.908 89 HB2 TRP 10 2HB TRP 10 1.234 0.419 6.300 90 HB3 TRP 10 1HB TRP 10 0.510 -1.156 6.003 91 HD1 TRP 10 HD TRP 10 3.472 -2.209 4.740 92 HE1 TRP 10 1HE TRP 10 5.192 -2.961 6.518 93 HE3 TRP 10 3HE TRP 10 1.505 0.067 8.810 94 HZ2 TRP 10 2HZ TRP 10 5.660 -2.611 9.342 95 HZ3 TRP 10 3HZ TRP 10 2.584 -0.137 11.045 96 HH2 TRP 10 HH TRP 10 4.655 -1.476 11.311 97 H ASN 11 H ASN 11 -0.475 0.734 5.322 98 HA ASN 11 HA ASN 11 -2.712 -0.373 4.357 99 HB2 ASN 11 2HB ASN 11 -3.740 1.778 4.637 100 HB3 ASN 11 1HB ASN 11 -2.369 1.729 5.746 101 HD21 ASN 11 1HD2 ASN 11 -3.438 2.979 2.595 102 HD22 ASN 11 2HD2 ASN 11 -2.295 4.224 2.509 103 H CYS 12 H CYS 12 -0.752 1.932 2.420 104 HA CYS 12 HA CYS 12 -2.460 1.328 0.064 105 HB2 CYS 12 2HB CYS 12 -1.541 3.315 -0.844 106 HB3 CYS 12 1HB CYS 12 -1.738 3.656 0.870 107 H GLY 13 H GLY 13 0.523 0.404 1.480 108 HA2 GLY 13 2HA GLY 13 2.348 -0.846 0.672 109 HA3 GLY 13 1HA GLY 13 1.121 -1.654 -0.301 110 H LYS 14 H LYS 14 3.282 1.181 -0.277 111 HA LYS 14 HA LYS 14 4.016 0.779 -3.037 112 HB2 LYS 14 2HB LYS 14 1.519 1.855 -2.705 113 HB3 LYS 14 1HB LYS 14 2.507 3.311 -2.823 114 HG2 LYS 14 2HG LYS 14 2.561 1.015 -4.804 115 HG3 LYS 14 1HG LYS 14 1.721 2.546 -5.053 116 HD2 LYS 14 2HD LYS 14 3.656 3.706 -5.421 117 HD3 LYS 14 1HD LYS 14 4.575 2.742 -4.269 118 HE2 LYS 14 2HE LYS 14 3.751 1.060 -6.471 119 HE3 LYS 14 1HE LYS 14 4.596 2.489 -7.094 120 HZ1 LYS 14 3HZ LYS 14 6.511 1.764 -6.255 121 HZ2 LYS 14 1HZ LYS 14 5.752 0.294 -5.890 122 HZ3 LYS 14 2HZ LYS 14 5.832 1.521 -4.718 123 H GLU 15 H GLU 15 6.095 1.432 -2.871 124 HA GLU 15 HA GLU 15 7.537 2.864 -1.108 125 HB2 GLU 15 2HB GLU 15 9.009 3.349 -2.941 126 HB3 GLU 15 1HB GLU 15 8.165 1.865 -3.367 127 HG2 GLU 15 2HG GLU 15 7.852 3.040 -5.326 128 HG3 GLU 15 1HG GLU 15 6.435 3.595 -4.435 129 H GLY 16 H GLY 16 7.755 5.018 -0.415 130 HA2 GLY 16 2HA GLY 16 7.350 7.404 -1.614 131 HA3 GLY 16 1HA GLY 16 5.682 6.907 -1.334 132 H HIS 17 H HIS 17 5.773 5.751 1.152 133 HA HIS 17 HA HIS 17 7.228 7.491 3.031 134 HB2 HIS 17 2HB HIS 17 4.967 8.245 4.001 135 HB3 HIS 17 1HB HIS 17 5.439 8.974 2.466 136 HD1 HIS 17 1HD HIS 17 4.458 7.622 0.271 137 HD2 HIS 17 2HD HIS 17 2.485 7.031 3.896 138 HE1 HIS 17 1HE HIS 17 2.183 6.666 -0.299 139 H SER 18 H SER 18 5.692 7.018 5.307 140 HA SER 18 HA SER 18 6.017 4.072 5.604 141 HB2 SER 18 2HB SER 18 5.477 5.099 8.083 142 HB3 SER 18 1HB SER 18 7.096 5.001 7.387 143 HG SER 18 HG SER 18 7.108 7.094 7.256 144 H ALA 19 H ALA 19 4.335 3.243 7.403 145 HA ALA 19 HA ALA 19 1.686 3.447 6.170 146 HB1 ALA 19 3HB ALA 19 1.177 1.661 7.743 147 HB2 ALA 19 1HB ALA 19 2.611 2.040 8.696 148 HB3 ALA 19 2HB ALA 19 2.780 1.364 7.075 149 H ARG 20 H ARG 20 3.361 5.089 8.668 150 HA ARG 20 HA ARG 20 1.135 5.699 10.418 151 HB2 ARG 20 2HB ARG 20 3.450 5.806 11.144 152 HB3 ARG 20 1HB ARG 20 3.832 6.978 9.882 153 HG2 ARG 20 2HG ARG 20 2.113 8.517 10.936 154 HG3 ARG 20 1HG ARG 20 2.044 7.387 12.290 155 HD2 ARG 20 2HD ARG 20 4.735 7.698 12.101 156 HD3 ARG 20 1HD ARG 20 4.197 9.293 11.538 157 HE ARG 20 HE ARG 20 2.659 9.179 13.661 158 HH11 ARG 20 1HH1 ARG 20 5.891 9.537 13.583 159 HH12 ARG 20 2HH1 ARG 20 6.231 8.878 15.148 160 HH21 ARG 20 1HH2 ARG 20 3.048 7.573 15.584 161 HH22 ARG 20 2HH2 ARG 20 4.622 7.771 16.282 162 H GLN 21 H GLN 21 2.406 7.118 7.457 163 HA GLN 21 HA GLN 21 0.811 9.583 7.754 164 HB2 GLN 21 2HB GLN 21 3.176 8.925 6.562 165 HB3 GLN 21 1HB GLN 21 2.084 8.870 5.179 166 HG2 GLN 21 2HG GLN 21 2.749 11.124 5.225 167 HG3 GLN 21 1HG GLN 21 1.204 11.152 6.076 168 HE21 GLN 21 1HE2 GLN 21 4.502 10.177 7.175 169 HE22 GLN 21 2HE2 GLN 21 4.531 11.244 8.504 170 H CYS 22 H CYS 22 0.971 6.913 5.371 171 HA CYS 22 HA CYS 22 -1.584 7.647 4.148 172 HB2 CYS 22 2HB CYS 22 0.608 5.675 3.832 173 HB3 CYS 22 1HB CYS 22 -0.969 5.168 3.240 174 H ARG 23 H ARG 23 -3.490 6.586 4.285 175 HA ARG 23 HA ARG 23 -3.837 4.375 6.225 176 HB2 ARG 23 2HB ARG 23 -4.090 6.244 7.651 177 HB3 ARG 23 1HB ARG 23 -4.833 7.219 6.385 178 HG2 ARG 23 2HG ARG 23 -6.403 6.388 8.187 179 HG3 ARG 23 1HG ARG 23 -6.885 6.015 6.536 180 HD2 ARG 23 2HD ARG 23 -6.935 3.814 7.086 181 HD3 ARG 23 1HD ARG 23 -5.196 3.888 7.443 182 HE ARG 23 HE ARG 23 -7.363 4.091 9.417 183 HH11 ARG 23 1HH2 ARG 23 -4.952 2.536 10.029 184 HH12 ARG 23 2HH2 ARG 23 -4.037 3.602 11.041 185 HH21 ARG 23 1HH1 ARG 23 -5.805 6.433 10.116 186 HH22 ARG 23 2HH1 ARG 23 -4.517 5.804 11.088 187 H ALA 24 H ALA 24 -4.065 5.065 3.249 188 HA ALA 24 HA ALA 24 -6.469 5.361 2.051 189 HB1 ALA 24 3HB ALA 24 -4.125 4.283 1.330 190 HB2 ALA 24 1HB ALA 24 -5.568 4.104 0.332 191 HB3 ALA 24 2HB ALA 24 -5.073 2.798 1.408 192 HA PRO 25 HA PRO 25 -9.560 2.681 3.576 193 HB2 PRO 25 2HB PRO 25 -10.879 1.983 1.271 194 HB3 PRO 25 1HB PRO 25 -11.016 3.577 2.040 195 HG2 PRO 25 2HG PRO 25 -9.320 2.731 -0.266 196 HG3 PRO 25 1HG PRO 25 -10.273 4.208 -0.051 197 HD2 PRO 25 2HD PRO 25 -7.607 4.174 0.310 198 HD3 PRO 25 1HD PRO 25 -8.675 5.207 1.287 199 H ARG 26 H ARG 26 -8.797 1.112 0.457 200 HA ARG 26 HA ARG 26 -9.209 -1.496 1.014 201 HB2 ARG 26 2HB ARG 26 -7.244 -1.942 -0.516 202 HB3 ARG 26 1HB ARG 26 -8.377 -0.731 -1.120 203 HG2 ARG 26 2HG ARG 26 -6.431 0.450 -1.425 204 HG3 ARG 26 1HG ARG 26 -6.736 0.896 0.251 205 HD2 ARG 26 2HD ARG 26 -4.504 0.168 0.367 206 HD3 ARG 26 1HD ARG 26 -5.363 -1.336 0.753 207 HE ARG 26 HE ARG 26 -4.849 -2.169 -1.408 208 HH11 ARG 26 1HH2 ARG 26 -2.446 -0.246 -0.926 209 HH12 ARG 26 2HH2 ARG 26 -2.336 0.491 -2.489 210 HH21 ARG 26 1HH1 ARG 26 -5.458 -0.626 -3.513 211 HH22 ARG 26 2HH1 ARG 26 -4.047 0.274 -3.959 212 H ARG 27 H ARG 27 -6.257 0.256 1.905 213 HA ARG 27 HA ARG 27 -4.506 -0.303 3.363 214 HB2 ARG 27 2HB ARG 27 -7.120 -0.661 4.566 215 HB3 ARG 27 1HB ARG 27 -5.895 -1.663 5.357 216 HG2 ARG 27 2HG ARG 27 -4.408 0.295 5.499 217 HG3 ARG 27 1HG ARG 27 -5.670 1.290 4.781 218 HD2 ARG 27 2HD ARG 27 -5.673 1.481 7.276 219 HD3 ARG 27 1HD ARG 27 -7.177 0.738 6.693 220 HE ARG 27 HE ARG 27 -5.150 -1.269 7.135 221 HH11 ARG 27 1HH1 ARG 27 -6.875 1.029 8.992 222 HH12 ARG 27 2HH1 ARG 27 -7.318 -0.094 10.234 223 HH21 ARG 27 1HH2 ARG 27 -5.960 -2.838 8.607 224 HH22 ARG 27 2HH2 ARG 27 -6.800 -2.283 10.016 225 H GLN 28 H GLN 28 -3.568 -2.192 4.724 226 HA GLN 28 HA GLN 28 -3.554 -4.613 2.990 227 HB2 GLN 28 2HB GLN 28 -1.675 -3.089 4.623 228 HB3 GLN 28 1HB GLN 28 -1.618 -4.807 5.017 229 HG2 GLN 28 2HG GLN 28 -0.057 -4.136 3.156 230 HG3 GLN 28 1HG GLN 28 -1.208 -5.395 2.711 231 HE21 GLN 28 1HE2 GLN 28 -2.150 -1.985 3.054 232 HE22 GLN 28 2HE2 GLN 28 -2.462 -1.730 1.397 233 H GLY 29 H GLY 29 -5.012 -6.152 3.670 234 HA2 GLY 29 2HA GLY 29 -6.408 -6.425 6.018 235 HA3 GLY 29 1HA GLY 29 -5.820 -7.843 5.144 236 H CYS 30 H CYS 30 -3.159 -7.813 5.470 237 HA CYS 30 HA CYS 30 -2.819 -8.262 8.377 238 HB2 CYS 30 2HB CYS 30 -1.750 -9.214 5.861 239 HB3 CYS 30 1HB CYS 30 -0.451 -8.755 6.958 240 H TRP 31 H TRP 31 -2.230 -6.448 9.504 241 HA TRP 31 HA TRP 31 -0.434 -4.464 8.160 242 HB2 TRP 31 2HB TRP 31 -2.886 -4.282 9.453 243 HB3 TRP 31 1HB TRP 31 -1.737 -3.734 10.674 244 HD1 TRP 31 HD TRP 31 -2.574 -3.082 6.970 245 HE1 TRP 31 1HE TRP 31 -2.062 -0.597 6.467 246 HE3 TRP 31 3HE TRP 31 -0.604 -1.703 11.441 247 HZ2 TRP 31 2HZ TRP 31 -0.944 1.679 7.814 248 HZ3 TRP 31 3HZ TRP 31 0.184 0.623 11.826 249 HH2 TRP 31 HH TRP 31 0.020 2.311 10.015 250 H LYS 32 H LYS 32 -0.083 -7.055 10.099 251 HA LYS 32 HA LYS 32 2.303 -5.900 11.400 252 HB2 LYS 32 2HB LYS 32 0.479 -5.336 12.915 253 HB3 LYS 32 1HB LYS 32 -0.096 -7.002 12.892 254 HG2 LYS 32 2HG LYS 32 1.317 -6.320 14.915 255 HG3 LYS 32 1HG LYS 32 1.818 -7.786 14.075 256 HD2 LYS 32 2HD LYS 32 3.745 -6.836 13.287 257 HD3 LYS 32 1HD LYS 32 2.996 -5.251 13.078 258 HE2 LYS 32 2HE LYS 32 4.415 -4.845 14.899 259 HE3 LYS 32 1HE LYS 32 2.917 -5.296 15.732 260 HZ1 LYS 32 3HZ LYS 32 5.358 -6.606 15.869 261 HZ2 LYS 32 1HZ LYS 32 4.347 -7.616 14.956 262 HZ3 LYS 32 2HZ LYS 32 3.875 -7.127 16.512 263 H CYS 33 H CYS 33 1.129 -8.375 9.632 264 HA CYS 33 HA CYS 33 3.136 -10.254 10.724 265 HB2 CYS 33 2HB CYS 33 1.303 -12.018 11.000 266 HB3 CYS 33 1HB CYS 33 1.336 -10.730 12.203 267 H GLY 34 H GLY 34 0.538 -9.746 8.295 268 HA2 GLY 34 2HA GLY 34 2.171 -11.485 6.500 269 HA3 GLY 34 1HA GLY 34 0.450 -11.795 6.668 270 H LYS 35 H LYS 35 -0.282 -11.314 4.674 271 HA LYS 35 HA LYS 35 0.513 -8.729 3.405 272 HB2 LYS 35 2HB LYS 35 -0.754 -11.285 2.381 273 HB3 LYS 35 1HB LYS 35 -0.429 -9.875 1.373 274 HG2 LYS 35 2HG LYS 35 1.746 -11.152 3.029 275 HG3 LYS 35 1HG LYS 35 1.360 -11.736 1.409 276 HD2 LYS 35 2HD LYS 35 1.517 -8.885 1.301 277 HD3 LYS 35 1HD LYS 35 2.956 -9.479 2.132 278 HE2 LYS 35 2HE LYS 35 3.767 -10.518 0.254 279 HE3 LYS 35 1HE LYS 35 2.149 -10.992 -0.302 280 HZ1 LYS 35 3HZ LYS 35 3.039 -9.231 -1.697 281 HZ2 LYS 35 1HZ LYS 35 3.265 -8.237 -0.341 282 HZ3 LYS 35 2HZ LYS 35 1.695 -8.668 -0.823 283 H THR 36 H THR 36 -2.432 -10.376 2.481 284 HA THR 36 HA THR 36 -4.083 -8.338 3.904 285 HB THR 36 HB THR 36 -3.512 -7.346 1.783 286 HG1 THR 36 1HG THR 36 -5.513 -6.841 1.499 287 HG21 THR 36 3HG2 THR 36 -2.869 -9.634 0.807 288 HG22 THR 36 1HG2 THR 36 -3.621 -8.482 -0.295 289 HG23 THR 36 2HG2 THR 36 -4.573 -9.800 0.385 290 H GLY 37 H GLY 37 -4.096 -11.213 1.791 291 HA2 GLY 37 2HA GLY 37 -6.711 -12.026 1.776 292 HA3 GLY 37 1HA GLY 37 -5.406 -13.184 2.037 293 H HIS 38 H HIS 38 -4.717 -13.526 4.301 294 HA HIS 38 HA HIS 38 -6.993 -13.719 6.113 295 HB2 HIS 38 2HB HIS 38 -5.474 -15.010 7.406 296 HB3 HIS 38 1HB HIS 38 -4.979 -15.302 5.738 297 HD1 HIS 38 1HD HIS 38 -2.484 -15.128 5.504 298 HD2 HIS 38 2HD HIS 38 -4.026 -12.489 8.312 299 HE1 HIS 38 1HE HIS 38 -0.508 -13.795 6.370 300 H VAL 39 H VAL 39 -7.158 -12.591 8.177 301 HA VAL 39 HA VAL 39 -5.774 -9.935 8.106 302 HB VAL 39 HB VAL 39 -7.729 -9.217 9.446 303 HG11 VAL 39 1HG1 VAL 39 -7.763 -9.306 6.917 304 HG12 VAL 39 2HG1 VAL 39 -9.353 -9.379 7.676 305 HG13 VAL 39 3HG1 VAL 39 -8.604 -10.850 7.051 306 HG21 VAL 39 3HG2 VAL 39 -7.923 -11.662 10.397 307 HG22 VAL 39 1HG2 VAL 39 -8.947 -11.928 8.986 308 HG23 VAL 39 2HG2 VAL 39 -9.385 -10.699 10.174 309 H MET 40 H MET 40 -5.696 -8.973 10.474 310 HA MET 40 HA MET 40 -3.786 -10.425 11.998 311 HB2 MET 40 2HB MET 40 -5.551 -8.036 12.336 312 HB3 MET 40 1HB MET 40 -4.743 -8.667 13.772 313 HG2 MET 40 2HG MET 40 -2.800 -8.648 11.716 314 HG3 MET 40 1HG MET 40 -3.633 -7.096 11.625 315 HE1 MET 40 3HE MET 40 -3.032 -9.223 15.149 316 HE2 MET 40 1HE MET 40 -1.286 -8.985 15.005 317 HE3 MET 40 2HE MET 40 -2.186 -9.744 13.694 318 H ALA 41 H ALA 41 -7.256 -10.545 11.950 319 HA ALA 41 HA ALA 41 -7.764 -11.613 14.568 320 HB1 ALA 41 3HB ALA 41 -9.826 -12.490 13.282 321 HB2 ALA 41 1HB ALA 41 -9.111 -11.720 11.867 322 HB3 ALA 41 2HB ALA 41 -9.562 -10.745 13.264 323 H LYS 42 H LYS 42 -6.084 -12.944 11.939 324 HA LYS 42 HA LYS 42 -6.168 -15.631 13.177 325 HB2 LYS 42 2HB LYS 42 -7.731 -14.682 10.912 326 HB3 LYS 42 1HB LYS 42 -6.740 -16.086 10.473 327 HG2 LYS 42 2HG LYS 42 -7.863 -16.562 13.059 328 HG3 LYS 42 1HG LYS 42 -9.162 -16.032 11.991 329 HD2 LYS 42 2HD LYS 42 -7.294 -17.959 10.768 330 HD3 LYS 42 1HD LYS 42 -8.228 -18.604 12.119 331 HE2 LYS 42 2HE LYS 42 -10.324 -17.870 11.046 332 HE3 LYS 42 1HE LYS 42 -9.397 -17.192 9.693 333 HZ1 LYS 42 3HZ LYS 42 -9.438 -20.029 10.576 334 HZ2 LYS 42 1HZ LYS 42 -8.379 -19.413 9.403 335 HZ3 LYS 42 2HZ LYS 42 -10.054 -19.411 9.117 336 H CYS 43 H CYS 43 -4.268 -13.298 12.022 337 HA CYS 43 HA CYS 43 -2.588 -14.955 10.246 338 HB2 CYS 43 2HB CYS 43 -1.587 -12.950 9.632 339 HB3 CYS 43 1HB CYS 43 -3.233 -12.442 9.986 340 HA PRO 44 HA PRO 44 0.239 -14.282 13.983 341 HB2 PRO 44 2HB PRO 44 -0.929 -14.033 16.439 342 HB3 PRO 44 1HB PRO 44 -0.543 -12.639 15.412 343 HG2 PRO 44 2HG PRO 44 -3.148 -13.899 15.974 344 HG3 PRO 44 1HG PRO 44 -2.764 -12.225 15.558 345 HD2 PRO 44 2HD PRO 44 -3.802 -14.173 13.834 346 HD3 PRO 44 1HD PRO 44 -3.125 -12.603 13.368 347 H GLU 45 H GLU 45 -2.230 -15.496 16.148 348 HA GLU 45 HA GLU 45 -1.725 -18.316 15.426 349 HB2 GLU 45 2HB GLU 45 -1.155 -17.693 18.267 350 HB3 GLU 45 1HB GLU 45 -0.310 -18.784 17.174 351 HG2 GLU 45 2HG GLU 45 0.819 -16.875 16.105 352 HG3 GLU 45 1HG GLU 45 -0.068 -15.752 17.136 353 H ARG 46 H ARG 46 -3.765 -19.163 15.562 354 HA ARG 46 HA ARG 46 -6.102 -18.209 16.448 355 HB2 ARG 46 2HB ARG 46 -4.869 -20.819 16.163 356 HB3 ARG 46 1HB ARG 46 -6.111 -20.843 17.415 357 HG2 ARG 46 2HG ARG 46 -7.710 -20.852 15.836 358 HG3 ARG 46 1HG ARG 46 -7.111 -19.312 15.218 359 HD2 ARG 46 2HD ARG 46 -5.242 -20.932 14.146 360 HD3 ARG 46 1HD ARG 46 -6.600 -22.073 14.216 361 HE ARG 46 HE ARG 46 -7.948 -20.241 13.048 362 HH11 ARG 46 1HH1 ARG 46 -5.814 -18.152 13.088 363 HH12 ARG 46 2HH1 ARG 46 -5.129 -18.293 11.503 364 HH21 ARG 46 1HH2 ARG 46 -6.512 -21.415 10.895 365 HH22 ARG 46 2HH2 ARG 46 -5.524 -20.142 10.263 366 H GLN 47 H GLN 47 -5.981 -16.807 18.289 367 HA GLN 47 HA GLN 47 -5.158 -18.036 20.883 368 HB2 GLN 47 2HB GLN 47 -5.379 -15.293 19.707 369 HB3 GLN 47 1HB GLN 47 -5.533 -15.455 21.456 370 HG2 GLN 47 2HG GLN 47 -3.314 -17.024 20.360 371 HG3 GLN 47 1HG GLN 47 -3.141 -15.292 20.069 372 HE21 GLN 47 1HE2 GLN 47 -2.287 -14.109 21.788 373 HE22 GLN 47 2HE2 GLN 47 -2.256 -14.627 23.404 374 H ALA 48 H ALA 48 -7.405 -19.248 20.511 375 HA ALA 48 HA ALA 48 -9.719 -17.558 21.306 376 HB1 ALA 48 3HB ALA 48 -10.944 -19.190 20.267 377 HB2 ALA 48 1HB ALA 48 -9.978 -20.491 20.965 378 HB3 ALA 48 2HB ALA 48 -9.392 -19.620 19.547 379 H GLY 49 H GLY 49 -7.292 -19.391 22.791 380 HA2 GLY 49 2HA GLY 49 -8.351 -19.097 25.415 381 HA3 GLY 49 1HA GLY 49 -8.703 -20.738 24.869 Start of MODEL 8 1 H1 ALA 1 1HT ALA 1 5.233 -2.487 -6.635 2 H2 ALA 1 2HT ALA 1 6.078 -1.076 -7.063 3 H3 ALA 1 3HT ALA 1 6.759 -2.603 -7.364 4 HA ALA 1 HA ALA 1 4.537 -2.905 -8.753 5 HB1 ALA 1 3HB ALA 1 3.418 -0.951 -8.908 6 HB2 ALA 1 1HB ALA 1 4.843 -0.189 -9.615 7 HB3 ALA 1 2HB ALA 1 4.621 -0.191 -7.865 8 H GLN 2 H GLN 2 7.196 -3.704 -8.898 9 HA GLN 2 HA GLN 2 9.072 -3.846 -10.357 10 HB2 GLN 2 2HB GLN 2 6.509 -3.716 -11.837 11 HB3 GLN 2 1HB GLN 2 7.955 -3.467 -12.818 12 HG2 GLN 2 2HG GLN 2 8.465 -5.657 -12.722 13 HG3 GLN 2 1HG GLN 2 8.367 -5.647 -10.960 14 HE21 GLN 2 1HE2 GLN 2 7.390 -7.935 -12.033 15 HE22 GLN 2 2HE2 GLN 2 5.693 -7.949 -12.056 16 H GLN 3 H GLN 3 9.235 -1.399 -9.223 17 HA GLN 3 HA GLN 3 10.383 0.269 -11.336 18 HB2 GLN 3 2HB GLN 3 7.643 0.478 -10.781 19 HB3 GLN 3 1HB GLN 3 8.371 1.834 -9.918 20 HG2 GLN 3 2HG GLN 3 9.645 1.690 -12.452 21 HG3 GLN 3 1HG GLN 3 7.909 1.556 -12.739 22 HE21 GLN 3 1HE2 GLN 3 9.802 3.903 -13.196 23 HE22 GLN 3 2HE2 GLN 3 9.095 5.193 -12.351 24 H ARG 4 H ARG 4 10.936 2.524 -10.212 25 HA ARG 4 HA ARG 4 12.824 2.246 -8.228 26 HB2 ARG 4 2HB ARG 4 10.939 4.381 -9.101 27 HB3 ARG 4 1HB ARG 4 11.767 4.656 -7.568 28 HG2 ARG 4 2HG ARG 4 13.230 3.836 -10.087 29 HG3 ARG 4 1HG ARG 4 12.975 5.523 -9.638 30 HD2 ARG 4 2HD ARG 4 13.941 4.481 -7.284 31 HD3 ARG 4 1HD ARG 4 14.850 3.555 -8.494 32 HE ARG 4 HE ARG 4 14.676 6.409 -9.105 33 HH11 ARG 4 1HH1 ARG 4 16.063 4.728 -6.564 34 HH12 ARG 4 2HH1 ARG 4 17.694 5.206 -6.899 35 HH21 ARG 4 1HH2 ARG 4 16.907 6.685 -9.941 36 HH22 ARG 4 2HH2 ARG 4 18.173 6.319 -8.816 37 H LYS 5 H LYS 5 12.732 2.607 -5.835 38 HA LYS 5 HA LYS 5 10.050 2.216 -4.613 39 HB2 LYS 5 2HB LYS 5 11.031 0.255 -3.330 40 HB3 LYS 5 1HB LYS 5 10.789 -0.025 -5.054 41 HG2 LYS 5 2HG LYS 5 13.312 0.989 -5.079 42 HG3 LYS 5 1HG LYS 5 13.308 0.181 -3.512 43 HD2 LYS 5 2HD LYS 5 13.855 -1.651 -4.764 44 HD3 LYS 5 1HD LYS 5 12.113 -1.725 -5.023 45 HE2 LYS 5 2HE LYS 5 12.306 -0.546 -7.134 46 HE3 LYS 5 1HE LYS 5 14.029 -0.234 -6.850 47 HZ1 LYS 5 3HZ LYS 5 14.018 -2.826 -6.473 48 HZ2 LYS 5 1HZ LYS 5 14.196 -2.164 -8.025 49 HZ3 LYS 5 2HZ LYS 5 12.681 -2.747 -7.519 50 H VAL 6 H VAL 6 10.615 4.439 -3.844 51 HA VAL 6 HA VAL 6 12.766 4.596 -1.792 52 HB VAL 6 HB VAL 6 10.798 6.790 -2.382 53 HG11 VAL 6 1HG1 VAL 6 13.138 7.998 -2.388 54 HG12 VAL 6 2HG1 VAL 6 13.694 6.505 -1.630 55 HG13 VAL 6 3HG1 VAL 6 12.432 7.466 -0.861 56 HG21 VAL 6 3HG2 VAL 6 11.158 6.458 -4.629 57 HG22 VAL 6 1HG2 VAL 6 12.634 5.528 -4.363 58 HG23 VAL 6 2HG2 VAL 6 12.674 7.290 -4.282 59 H ILE 7 H ILE 7 12.206 5.106 0.432 60 HA ILE 7 HA ILE 7 10.785 4.064 2.212 61 HB ILE 7 HB ILE 7 10.226 6.903 1.348 62 HG12 ILE 7 2HG1 ILE 7 12.473 6.052 2.303 63 HG13 ILE 7 1HG1 ILE 7 11.760 7.470 3.070 64 HG21 ILE 7 1HG2 ILE 7 8.275 6.595 2.559 65 HG22 ILE 7 2HG2 ILE 7 9.382 7.003 3.866 66 HG23 ILE 7 3HG2 ILE 7 8.967 5.318 3.556 67 HD11 ILE 7 3HD1 ILE 7 10.966 6.204 4.921 68 HD12 ILE 7 1HD1 ILE 7 12.606 5.618 4.640 69 HD13 ILE 7 2HD1 ILE 7 11.224 4.674 4.083 70 H ARG 8 H ARG 8 9.600 2.500 0.650 71 HA ARG 8 HA ARG 8 7.008 3.318 -0.397 72 HB2 ARG 8 2HB ARG 8 6.901 0.951 -1.024 73 HB3 ARG 8 1HB ARG 8 8.515 1.580 -1.357 74 HG2 ARG 8 2HG ARG 8 9.329 -0.105 -0.100 75 HG3 ARG 8 1HG ARG 8 8.632 0.707 1.302 76 HD2 ARG 8 2HD ARG 8 6.992 -0.856 1.506 77 HD3 ARG 8 1HD ARG 8 6.649 -0.826 -0.236 78 HE ARG 8 HE ARG 8 8.489 -2.399 -0.576 79 HH11 ARG 8 1HH1 ARG 8 9.400 -1.268 2.332 80 HH12 ARG 8 2HH1 ARG 8 9.495 -2.791 3.149 81 HH21 ARG 8 1HH2 ARG 8 7.868 -4.541 0.636 82 HH22 ARG 8 2HH2 ARG 8 8.620 -4.643 2.192 83 H CYS 9 H CYS 9 5.007 3.003 0.514 84 HA CYS 9 HA CYS 9 4.911 2.241 3.376 85 HB2 CYS 9 2HB CYS 9 2.825 3.438 3.310 86 HB3 CYS 9 1HB CYS 9 3.958 4.366 2.330 87 H TRP 10 H TRP 10 3.227 0.730 4.086 88 HA TRP 10 HA TRP 10 2.827 -1.544 2.231 89 HB2 TRP 10 2HB TRP 10 2.230 -1.052 5.168 90 HB3 TRP 10 1HB TRP 10 1.938 -2.575 4.352 91 HD1 TRP 10 HD TRP 10 3.839 -4.201 4.179 92 HE1 TRP 10 1HE TRP 10 6.321 -4.206 4.819 93 HE3 TRP 10 3HE TRP 10 4.439 0.733 5.290 94 HZ2 TRP 10 2HZ TRP 10 8.316 -2.336 5.697 95 HZ3 TRP 10 3HZ TRP 10 6.629 1.597 6.032 96 HH2 TRP 10 HH TRP 10 8.560 0.074 6.239 97 H ASN 11 H ASN 11 0.971 0.459 4.463 98 HA ASN 11 HA ASN 11 -1.592 -0.242 4.213 99 HB2 ASN 11 2HB ASN 11 -0.921 1.698 5.439 100 HB3 ASN 11 1HB ASN 11 -0.359 2.502 3.971 101 HD21 ASN 11 1HD2 ASN 11 -3.217 1.651 5.841 102 HD22 ASN 11 2HD2 ASN 11 -4.320 2.537 4.910 103 H CYS 12 H CYS 12 0.176 1.514 1.676 104 HA CYS 12 HA CYS 12 -2.055 0.819 -0.209 105 HB2 CYS 12 2HB CYS 12 -1.913 3.030 -1.118 106 HB3 CYS 12 1HB CYS 12 -1.932 3.214 0.635 107 H GLY 13 H GLY 13 1.366 0.940 0.392 108 HA2 GLY 13 2HA GLY 13 3.071 -0.152 -0.841 109 HA3 GLY 13 1HA GLY 13 1.871 -0.564 -2.063 110 H LYS 14 H LYS 14 3.752 2.211 -0.818 111 HA LYS 14 HA LYS 14 4.441 3.038 -3.523 112 HB2 LYS 14 2HB LYS 14 2.071 3.705 -3.416 113 HB3 LYS 14 1HB LYS 14 2.394 4.634 -1.953 114 HG2 LYS 14 2HG LYS 14 2.364 6.106 -3.931 115 HG3 LYS 14 1HG LYS 14 3.970 6.062 -3.205 116 HD2 LYS 14 2HD LYS 14 4.707 4.419 -4.869 117 HD3 LYS 14 1HD LYS 14 3.092 4.390 -5.580 118 HE2 LYS 14 2HE LYS 14 4.119 5.946 -6.983 119 HE3 LYS 14 1HE LYS 14 3.518 7.037 -5.719 120 HZ1 LYS 14 3HZ LYS 14 6.203 6.413 -6.381 121 HZ2 LYS 14 1HZ LYS 14 5.895 5.967 -4.776 122 HZ3 LYS 14 2HZ LYS 14 5.619 7.564 -5.277 123 H GLU 15 H GLU 15 6.062 4.638 -3.503 124 HA GLU 15 HA GLU 15 7.580 4.958 -1.077 125 HB2 GLU 15 2HB GLU 15 9.109 6.006 -2.517 126 HB3 GLU 15 1HB GLU 15 8.198 4.993 -3.634 127 HG2 GLU 15 2HG GLU 15 7.946 6.937 -4.803 128 HG3 GLU 15 1HG GLU 15 6.664 7.253 -3.632 129 H GLY 16 H GLY 16 8.191 7.201 -0.239 130 HA2 GLY 16 2HA GLY 16 7.442 9.609 -0.180 131 HA3 GLY 16 1HA GLY 16 5.793 8.992 -0.254 132 H HIS 17 H HIS 17 6.159 6.809 1.584 133 HA HIS 17 HA HIS 17 7.169 7.934 4.105 134 HB2 HIS 17 2HB HIS 17 4.838 7.858 5.117 135 HB3 HIS 17 1HB HIS 17 5.085 9.137 3.927 136 HD1 HIS 17 1HD HIS 17 4.396 8.314 1.345 137 HD2 HIS 17 2HD HIS 17 2.618 6.327 4.551 138 HE1 HIS 17 1HE HIS 17 2.340 7.159 0.420 139 H SER 18 H SER 18 5.738 6.341 5.876 140 HA SER 18 HA SER 18 6.507 3.589 4.981 141 HB2 SER 18 2HB SER 18 6.499 3.324 7.583 142 HB3 SER 18 1HB SER 18 7.811 4.231 6.833 143 HG SER 18 HG SER 18 5.433 5.519 7.624 144 H ALA 19 H ALA 19 5.126 2.200 7.017 145 HA ALA 19 HA ALA 19 2.385 2.273 5.944 146 HB1 ALA 19 3HB ALA 19 2.987 0.094 6.228 147 HB2 ALA 19 1HB ALA 19 2.468 0.350 7.887 148 HB3 ALA 19 2HB ALA 19 4.174 0.479 7.465 149 H ARG 20 H ARG 20 4.050 3.630 8.620 150 HA ARG 20 HA ARG 20 1.681 3.724 10.388 151 HB2 ARG 20 2HB ARG 20 3.247 4.710 11.939 152 HB3 ARG 20 1HB ARG 20 4.095 3.405 11.109 153 HG2 ARG 20 2HG ARG 20 5.216 4.952 9.649 154 HG3 ARG 20 1HG ARG 20 4.209 6.291 10.202 155 HD2 ARG 20 2HD ARG 20 6.461 6.331 11.276 156 HD3 ARG 20 1HD ARG 20 5.178 6.075 12.477 157 HE ARG 20 HE ARG 20 5.680 3.609 12.280 158 HH11 ARG 20 1HH2 ARG 20 8.020 5.170 13.489 159 HH12 ARG 20 2HH2 ARG 20 9.355 4.470 12.635 160 HH21 ARG 20 1HH1 ARG 20 7.372 3.035 10.178 161 HH22 ARG 20 2HH1 ARG 20 8.988 3.261 10.759 162 H GLN 21 H GLN 21 2.016 5.183 7.635 163 HA GLN 21 HA GLN 21 1.146 7.868 8.651 164 HB2 GLN 21 2HB GLN 21 3.180 7.037 6.608 165 HB3 GLN 21 1HB GLN 21 2.303 8.547 6.355 166 HG2 GLN 21 2HG GLN 21 3.563 7.958 9.024 167 HG3 GLN 21 1HG GLN 21 4.539 8.608 7.705 168 HE21 GLN 21 1HE2 GLN 21 4.503 10.855 7.478 169 HE22 GLN 21 2HE2 GLN 21 3.322 11.882 8.156 170 H CYS 22 H CYS 22 1.035 5.498 6.000 171 HA CYS 22 HA CYS 22 -1.260 6.859 4.720 172 HB2 CYS 22 2HB CYS 22 0.839 5.010 4.045 173 HB3 CYS 22 1HB CYS 22 -0.718 4.296 3.624 174 H ARG 23 H ARG 23 -3.312 6.410 5.244 175 HA ARG 23 HA ARG 23 -3.928 3.759 6.492 176 HB2 ARG 23 2HB ARG 23 -4.138 6.335 7.581 177 HB3 ARG 23 1HB ARG 23 -5.787 5.918 7.112 178 HG2 ARG 23 2HG ARG 23 -3.943 4.416 8.978 179 HG3 ARG 23 1HG ARG 23 -5.544 5.070 9.322 180 HD2 ARG 23 2HD ARG 23 -5.885 3.310 7.122 181 HD3 ARG 23 1HD ARG 23 -4.868 2.453 8.299 182 HE ARG 23 HE ARG 23 -6.954 3.794 9.714 183 HH11 ARG 23 1HH2 ARG 23 -7.011 1.661 7.067 184 HH12 ARG 23 2HH2 ARG 23 -8.096 0.529 7.803 185 HH21 ARG 23 1HH1 ARG 23 -8.117 2.140 10.873 186 HH22 ARG 23 2HH1 ARG 23 -8.725 0.802 9.956 187 H ALA 24 H ALA 24 -3.942 4.609 3.666 188 HA ALA 24 HA ALA 24 -6.280 5.347 2.439 189 HB1 ALA 24 3HB ALA 24 -5.123 2.747 1.548 190 HB2 ALA 24 1HB ALA 24 -4.001 4.101 1.697 191 HB3 ALA 24 2HB ALA 24 -5.396 4.225 0.626 192 HA PRO 25 HA PRO 25 -9.516 2.664 3.671 193 HB2 PRO 25 2HB PRO 25 -10.938 2.354 1.354 194 HB3 PRO 25 1HB PRO 25 -10.936 3.853 2.306 195 HG2 PRO 25 2HG PRO 25 -9.439 3.187 -0.179 196 HG3 PRO 25 1HG PRO 25 -10.195 4.711 0.311 197 HD2 PRO 25 2HD PRO 25 -7.511 4.235 0.475 198 HD3 PRO 25 1HD PRO 25 -8.379 5.372 1.531 199 H ARG 26 H ARG 26 -8.681 1.579 0.374 200 HA ARG 26 HA ARG 26 -9.309 -1.059 0.515 201 HB2 ARG 26 2HB ARG 26 -7.350 -1.356 -1.091 202 HB3 ARG 26 1HB ARG 26 -8.498 -0.083 -1.502 203 HG2 ARG 26 2HG ARG 26 -6.659 1.239 -1.660 204 HG3 ARG 26 1HG ARG 26 -6.724 1.269 0.101 205 HD2 ARG 26 2HD ARG 26 -4.513 0.562 -0.276 206 HD3 ARG 26 1HD ARG 26 -5.353 -0.994 -0.122 207 HE ARG 26 HE ARG 26 -5.638 -0.340 -2.808 208 HH11 ARG 26 1HH2 ARG 26 -2.910 0.985 -2.061 209 HH12 ARG 26 2HH2 ARG 26 -1.824 -0.246 -2.615 210 HH21 ARG 26 1HH1 ARG 26 -4.293 -2.665 -2.903 211 HH22 ARG 26 2HH1 ARG 26 -2.608 -2.314 -3.092 212 H ARG 27 H ARG 27 -6.056 0.165 1.411 213 HA ARG 27 HA ARG 27 -4.341 -0.871 2.654 214 HB2 ARG 27 2HB ARG 27 -6.907 -0.803 4.106 215 HB3 ARG 27 1HB ARG 27 -5.679 -1.858 4.811 216 HG2 ARG 27 2HG ARG 27 -4.072 0.157 4.400 217 HG3 ARG 27 1HG ARG 27 -5.554 1.100 4.307 218 HD2 ARG 27 2HD ARG 27 -5.261 1.246 6.593 219 HD3 ARG 27 1HD ARG 27 -6.039 -0.349 6.577 220 HE ARG 27 HE ARG 27 -3.386 -0.934 6.082 221 HH11 ARG 27 1HH2 ARG 27 -3.198 1.720 7.743 222 HH12 ARG 27 2HH2 ARG 27 -2.877 1.058 9.311 223 HH21 ARG 27 1HH1 ARG 27 -3.774 -2.172 8.425 224 HH22 ARG 27 2HH1 ARG 27 -3.200 -1.144 9.695 225 H GLN 28 H GLN 28 -3.920 -2.988 4.042 226 HA GLN 28 HA GLN 28 -5.097 -5.388 2.721 227 HB2 GLN 28 2HB GLN 28 -2.231 -4.447 2.696 228 HB3 GLN 28 1HB GLN 28 -2.580 -6.173 2.634 229 HG2 GLN 28 2HG GLN 28 -2.459 -5.514 0.357 230 HG3 GLN 28 1HG GLN 28 -4.186 -5.607 0.700 231 HE21 GLN 28 1HE2 GLN 28 -1.857 -3.007 1.584 232 HE22 GLN 28 2HE2 GLN 28 -2.688 -1.778 0.744 233 H GLY 29 H GLY 29 -5.757 -4.671 5.213 234 HA2 GLY 29 2HA GLY 29 -5.543 -5.182 7.523 235 HA3 GLY 29 1HA GLY 29 -5.306 -6.812 6.883 236 H CYS 30 H CYS 30 -3.437 -7.738 7.535 237 HA CYS 30 HA CYS 30 -1.229 -6.039 8.546 238 HB2 CYS 30 2HB CYS 30 -2.230 -8.154 9.636 239 HB3 CYS 30 1HB CYS 30 -1.377 -9.049 8.381 240 H TRP 31 H TRP 31 0.699 -5.790 7.419 241 HA TRP 31 HA TRP 31 0.871 -6.979 4.692 242 HB2 TRP 31 2HB TRP 31 3.159 -5.394 5.426 243 HB3 TRP 31 1HB TRP 31 1.940 -5.046 4.208 244 HD1 TRP 31 HD TRP 31 -0.445 -3.993 5.346 245 HE1 TRP 31 1HE TRP 31 -0.610 -2.143 7.135 246 HE3 TRP 31 3HE TRP 31 4.226 -4.291 7.306 247 HZ2 TRP 31 2HZ TRP 31 1.046 -0.954 9.139 248 HZ3 TRP 31 3HZ TRP 31 4.925 -2.800 9.165 249 HH2 TRP 31 HH TRP 31 3.336 -1.132 10.087 250 H LYS 32 H LYS 32 2.205 -7.168 7.869 251 HA LYS 32 HA LYS 32 4.483 -8.868 7.089 252 HB2 LYS 32 2HB LYS 32 4.758 -7.233 8.838 253 HB3 LYS 32 1HB LYS 32 3.312 -7.803 9.671 254 HG2 LYS 32 2HG LYS 32 4.372 -9.915 10.194 255 HG3 LYS 32 1HG LYS 32 5.781 -9.497 9.213 256 HD2 LYS 32 2HD LYS 32 5.280 -7.374 11.074 257 HD3 LYS 32 1HD LYS 32 5.341 -8.903 11.953 258 HE2 LYS 32 2HE LYS 32 7.469 -9.333 10.430 259 HE3 LYS 32 1HE LYS 32 7.486 -7.561 10.342 260 HZ1 LYS 32 3HZ LYS 32 8.486 -8.970 12.402 261 HZ2 LYS 32 1HZ LYS 32 6.918 -8.643 12.963 262 HZ3 LYS 32 2HZ LYS 32 7.942 -7.363 12.516 263 H CYS 33 H CYS 33 1.251 -9.410 7.256 264 HA CYS 33 HA CYS 33 1.661 -12.264 8.031 265 HB2 CYS 33 2HB CYS 33 -0.541 -10.489 9.136 266 HB3 CYS 33 1HB CYS 33 -0.217 -12.162 9.582 267 H GLY 34 H GLY 34 -0.505 -9.789 6.640 268 HA2 GLY 34 2HA GLY 34 -1.464 -10.115 4.420 269 HA3 GLY 34 1HA GLY 34 -1.405 -11.854 4.692 270 H LYS 35 H LYS 35 -2.562 -11.574 7.435 271 HA LYS 35 HA LYS 35 -5.252 -12.105 6.971 272 HB2 LYS 35 2HB LYS 35 -3.594 -11.088 9.204 273 HB3 LYS 35 1HB LYS 35 -5.334 -10.885 9.395 274 HG2 LYS 35 2HG LYS 35 -4.510 -13.535 8.385 275 HG3 LYS 35 1HG LYS 35 -3.982 -13.177 10.030 276 HD2 LYS 35 2HD LYS 35 -6.102 -13.225 10.858 277 HD3 LYS 35 1HD LYS 35 -6.778 -12.426 9.439 278 HE2 LYS 35 2HE LYS 35 -7.506 -14.851 9.748 279 HE3 LYS 35 1HE LYS 35 -6.752 -14.504 8.179 280 HZ1 LYS 35 3HZ LYS 35 -5.117 -15.302 10.502 281 HZ2 LYS 35 1HZ LYS 35 -4.735 -15.398 8.854 282 HZ3 LYS 35 2HZ LYS 35 -5.859 -16.478 9.527 283 H THR 36 H THR 36 -7.097 -10.576 7.894 284 HA THR 36 HA THR 36 -6.841 -7.954 6.473 285 HB THR 36 HB THR 36 -9.228 -8.160 6.134 286 HG1 THR 36 1HG THR 36 -10.108 -10.259 7.047 287 HG21 THR 36 3HG2 THR 36 -8.998 -10.889 5.515 288 HG22 THR 36 1HG2 THR 36 -7.360 -10.246 5.392 289 HG23 THR 36 2HG2 THR 36 -8.662 -9.529 4.442 290 H GLY 37 H GLY 37 -9.077 -9.078 9.001 291 HA2 GLY 37 2HA GLY 37 -9.367 -6.640 10.329 292 HA3 GLY 37 1HA GLY 37 -9.530 -8.199 11.138 293 H HIS 38 H HIS 38 -7.054 -9.237 11.207 294 HA HIS 38 HA HIS 38 -5.668 -7.502 13.104 295 HB2 HIS 38 2HB HIS 38 -4.983 -9.522 13.846 296 HB3 HIS 38 1HB HIS 38 -5.991 -10.234 12.597 297 HD1 HIS 38 1HD HIS 38 -4.560 -12.137 11.807 298 HD2 HIS 38 2HD HIS 38 -2.416 -8.569 11.998 299 HE1 HIS 38 1HE HIS 38 -2.284 -12.617 10.807 300 H VAL 39 H VAL 39 -3.996 -6.149 12.655 301 HA VAL 39 HA VAL 39 -2.664 -6.382 9.972 302 HB VAL 39 HB VAL 39 -2.551 -3.913 10.067 303 HG11 VAL 39 1HG1 VAL 39 -5.390 -4.451 10.785 304 HG12 VAL 39 2HG1 VAL 39 -4.714 -5.392 9.455 305 HG13 VAL 39 3HG1 VAL 39 -4.724 -3.629 9.374 306 HG21 VAL 39 3HG2 VAL 39 -4.392 -3.720 12.367 307 HG22 VAL 39 1HG2 VAL 39 -2.992 -2.724 11.961 308 HG23 VAL 39 2HG2 VAL 39 -2.769 -4.267 12.786 309 H MET 40 H MET 40 -0.620 -4.555 10.372 310 HA MET 40 HA MET 40 1.366 -5.996 11.753 311 HB2 MET 40 2HB MET 40 2.710 -4.088 11.353 312 HB3 MET 40 1HB MET 40 1.482 -4.006 10.093 313 HG2 MET 40 2HG MET 40 1.159 -2.575 12.737 314 HG3 MET 40 1HG MET 40 1.974 -1.836 11.363 315 HE1 MET 40 3HE MET 40 0.262 0.165 10.591 316 HE2 MET 40 1HE MET 40 0.161 -0.228 12.313 317 HE3 MET 40 2HE MET 40 -1.310 0.041 11.379 318 H ALA 41 H ALA 41 -0.843 -3.484 12.967 319 HA ALA 41 HA ALA 41 0.290 -3.101 15.559 320 HB1 ALA 41 3HB ALA 41 -1.517 -1.746 14.515 321 HB2 ALA 41 1HB ALA 41 -2.019 -2.359 16.091 322 HB3 ALA 41 2HB ALA 41 -2.602 -3.134 14.618 323 H LYS 42 H LYS 42 -1.437 -5.705 14.109 324 HA LYS 42 HA LYS 42 -1.257 -7.301 16.601 325 HB2 LYS 42 2HB LYS 42 -3.618 -6.042 15.401 326 HB3 LYS 42 1HB LYS 42 -3.813 -7.786 15.656 327 HG2 LYS 42 2HG LYS 42 -2.600 -6.199 17.873 328 HG3 LYS 42 1HG LYS 42 -4.327 -5.992 17.589 329 HD2 LYS 42 2HD LYS 42 -4.827 -8.181 18.148 330 HD3 LYS 42 1HD LYS 42 -3.237 -8.776 17.669 331 HE2 LYS 42 2HE LYS 42 -2.840 -8.822 19.927 332 HE3 LYS 42 1HE LYS 42 -2.591 -7.076 19.738 333 HZ1 LYS 42 3HZ LYS 42 -5.183 -8.415 20.316 334 HZ2 LYS 42 1HZ LYS 42 -4.976 -6.749 20.074 335 HZ3 LYS 42 2HZ LYS 42 -4.268 -7.506 21.420 336 H CYS 43 H CYS 43 0.366 -7.923 14.671 337 HA CYS 43 HA CYS 43 -0.500 -9.301 12.366 338 HB2 CYS 43 2HB CYS 43 1.713 -8.342 13.289 339 HB3 CYS 43 1HB CYS 43 1.946 -9.934 13.971 340 HA PRO 44 HA PRO 44 -1.183 -13.552 13.748 341 HB2 PRO 44 2HB PRO 44 0.806 -14.991 14.987 342 HB3 PRO 44 1HB PRO 44 0.689 -14.808 13.224 343 HG2 PRO 44 2HG PRO 44 2.368 -13.290 15.171 344 HG3 PRO 44 1HG PRO 44 2.810 -13.966 13.593 345 HD2 PRO 44 2HD PRO 44 2.290 -11.390 13.876 346 HD3 PRO 44 1HD PRO 44 1.775 -12.261 12.422 347 H GLU 45 H GLU 45 -2.411 -12.200 15.297 348 HA GLU 45 HA GLU 45 -2.249 -13.230 18.013 349 HB2 GLU 45 2HB GLU 45 -1.919 -10.709 18.805 350 HB3 GLU 45 1HB GLU 45 -0.525 -11.723 18.437 351 HG2 GLU 45 2HG GLU 45 -0.382 -10.782 16.186 352 HG3 GLU 45 1HG GLU 45 -1.850 -9.841 16.455 353 H ARG 46 H ARG 46 -4.485 -13.633 17.840 354 HA ARG 46 HA ARG 46 -6.780 -13.077 18.032 355 HB2 ARG 46 2HB ARG 46 -5.851 -10.206 18.197 356 HB3 ARG 46 1HB ARG 46 -7.233 -10.955 18.995 357 HG2 ARG 46 2HG ARG 46 -4.995 -12.436 19.845 358 HG3 ARG 46 1HG ARG 46 -4.492 -10.746 19.916 359 HD2 ARG 46 2HD ARG 46 -5.514 -10.965 22.003 360 HD3 ARG 46 1HD ARG 46 -6.908 -10.455 21.030 361 HE ARG 46 HE ARG 46 -6.272 -13.333 21.565 362 HH11 ARG 46 1HH2 ARG 46 -8.391 -10.890 22.363 363 HH12 ARG 46 2HH2 ARG 46 -9.835 -11.747 21.938 364 HH21 ARG 46 1HH1 ARG 46 -8.144 -14.378 20.439 365 HH22 ARG 46 2HH1 ARG 46 -9.694 -13.725 20.849 366 H GLN 47 H GLN 47 -7.859 -13.320 16.103 367 HA GLN 47 HA GLN 47 -7.233 -11.445 13.862 368 HB2 GLN 47 2HB GLN 47 -8.111 -13.182 12.464 369 HB3 GLN 47 1HB GLN 47 -7.144 -14.001 13.690 370 HG2 GLN 47 2HG GLN 47 -9.290 -14.258 15.039 371 HG3 GLN 47 1HG GLN 47 -10.156 -13.725 13.598 372 HE21 GLN 47 1HE2 GLN 47 -10.077 -15.135 11.681 373 HE22 GLN 47 2HE2 GLN 47 -9.627 -16.766 11.823 374 H ALA 48 H ALA 48 -9.561 -11.997 16.298 375 HA ALA 48 HA ALA 48 -11.826 -10.888 14.742 376 HB1 ALA 48 3HB ALA 48 -11.431 -12.608 16.968 377 HB2 ALA 48 1HB ALA 48 -12.967 -12.128 16.245 378 HB3 ALA 48 2HB ALA 48 -12.285 -11.188 17.573 379 H GLY 49 H GLY 49 -13.100 -9.096 15.987 380 HA2 GLY 49 2HA GLY 49 -11.246 -6.875 16.445 381 HA3 GLY 49 1HA GLY 49 -13.009 -6.768 16.436 Start of MODEL 9 1 H1 ALA 1 1HT ALA 1 18.801 12.866 19.487 2 H2 ALA 1 2HT ALA 1 18.757 13.607 17.959 3 H3 ALA 1 3HT ALA 1 20.238 13.095 18.615 4 HA ALA 1 HA ALA 1 19.886 10.905 18.119 5 HB1 ALA 1 3HB ALA 1 17.735 9.906 18.345 6 HB2 ALA 1 1HB ALA 1 16.911 11.441 18.070 7 HB3 ALA 1 2HB ALA 1 17.774 11.163 19.582 8 H GLN 2 H GLN 2 18.972 9.740 16.096 9 HA GLN 2 HA GLN 2 18.359 11.673 13.895 10 HB2 GLN 2 2HB GLN 2 20.005 10.037 12.595 11 HB3 GLN 2 1HB GLN 2 20.639 11.385 13.535 12 HG2 GLN 2 2HG GLN 2 21.825 9.217 13.975 13 HG3 GLN 2 1HG GLN 2 21.103 9.926 15.420 14 HE21 GLN 2 1HE2 GLN 2 20.755 7.300 13.044 15 HE22 GLN 2 2HE2 GLN 2 19.647 6.396 13.957 16 H GLN 3 H GLN 3 17.390 10.594 11.994 17 HA GLN 3 HA GLN 3 16.126 7.961 12.676 18 HB2 GLN 3 2HB GLN 3 14.070 8.801 11.851 19 HB3 GLN 3 1HB GLN 3 14.741 10.150 12.767 20 HG2 GLN 3 2HG GLN 3 15.860 10.694 10.399 21 HG3 GLN 3 1HG GLN 3 14.439 9.821 9.821 22 HE21 GLN 3 1HE2 GLN 3 12.407 10.584 11.486 23 HE22 GLN 3 2HE2 GLN 3 12.202 12.268 11.478 24 H ARG 4 H ARG 4 15.250 6.909 10.568 25 HA ARG 4 HA ARG 4 17.423 7.024 8.531 26 HB2 ARG 4 2HB ARG 4 15.317 5.042 9.391 27 HB3 ARG 4 1HB ARG 4 16.170 4.841 7.860 28 HG2 ARG 4 2HG ARG 4 17.966 4.009 8.926 29 HG3 ARG 4 1HG ARG 4 18.075 5.458 9.927 30 HD2 ARG 4 2HD ARG 4 15.896 4.105 11.009 31 HD3 ARG 4 1HD ARG 4 17.047 2.810 10.628 32 HE ARG 4 HE ARG 4 17.527 5.047 12.501 33 HH11 ARG 4 1HH1 ARG 4 18.068 2.114 13.042 34 HH12 ARG 4 2HH1 ARG 4 19.795 2.057 12.927 35 HH21 ARG 4 1HH2 ARG 4 20.051 5.115 11.311 36 HH22 ARG 4 2HH2 ARG 4 20.919 3.758 11.948 37 H LYS 5 H LYS 5 16.629 8.935 7.392 38 HA LYS 5 HA LYS 5 15.349 10.021 5.725 39 HB2 LYS 5 2HB LYS 5 14.817 7.073 5.308 40 HB3 LYS 5 1HB LYS 5 14.161 8.295 4.219 41 HG2 LYS 5 2HG LYS 5 16.992 8.735 4.769 42 HG3 LYS 5 1HG LYS 5 16.698 7.149 4.053 43 HD2 LYS 5 2HD LYS 5 15.430 8.191 2.223 44 HD3 LYS 5 1HD LYS 5 15.680 9.782 2.943 45 HE2 LYS 5 2HE LYS 5 18.092 8.084 2.376 46 HE3 LYS 5 1HE LYS 5 17.309 8.938 1.031 47 HZ1 LYS 5 3HZ LYS 5 17.683 10.974 1.972 48 HZ2 LYS 5 1HZ LYS 5 19.065 10.156 2.516 49 HZ3 LYS 5 2HZ LYS 5 17.740 10.368 3.558 50 H VAL 6 H VAL 6 12.996 10.389 5.029 51 HA VAL 6 HA VAL 6 11.301 10.618 7.347 52 HB VAL 6 HB VAL 6 10.479 10.740 4.437 53 HG11 VAL 6 1HG1 VAL 6 8.992 11.080 6.668 54 HG12 VAL 6 2HG1 VAL 6 8.697 11.978 5.178 55 HG13 VAL 6 3HG1 VAL 6 9.624 12.716 6.486 56 HG21 VAL 6 3HG2 VAL 6 11.158 13.253 4.834 57 HG22 VAL 6 1HG2 VAL 6 12.395 12.083 4.375 58 HG23 VAL 6 2HG2 VAL 6 12.225 12.570 6.062 59 H ILE 7 H ILE 7 10.074 9.022 8.232 60 HA ILE 7 HA ILE 7 9.864 6.408 7.597 61 HB ILE 7 HB ILE 7 8.746 8.062 9.399 62 HG12 ILE 7 2HG1 ILE 7 9.133 5.527 9.428 63 HG13 ILE 7 1HG1 ILE 7 7.778 6.127 10.382 64 HG21 ILE 7 1HG2 ILE 7 6.269 7.913 9.190 65 HG22 ILE 7 2HG2 ILE 7 6.471 7.217 7.582 66 HG23 ILE 7 3HG2 ILE 7 6.988 8.873 7.897 67 HD11 ILE 7 3HD1 ILE 7 7.672 4.163 8.380 68 HD12 ILE 7 1HD1 ILE 7 6.962 5.600 7.646 69 HD13 ILE 7 2HD1 ILE 7 6.298 4.959 9.149 70 H ARG 8 H ARG 8 9.142 5.256 5.846 71 HA ARG 8 HA ARG 8 7.638 6.635 3.724 72 HB2 ARG 8 2HB ARG 8 9.622 4.900 3.632 73 HB3 ARG 8 1HB ARG 8 8.323 3.713 3.758 74 HG2 ARG 8 2HG ARG 8 7.433 4.256 1.699 75 HG3 ARG 8 1HG ARG 8 7.991 5.929 1.782 76 HD2 ARG 8 2HD ARG 8 9.978 5.428 0.780 77 HD3 ARG 8 1HD ARG 8 10.173 3.935 1.720 78 HE ARG 8 HE ARG 8 8.068 3.326 0.063 79 HH11 ARG 8 1HH1 ARG 8 10.145 5.525 -1.226 80 HH12 ARG 8 2HH1 ARG 8 10.794 4.501 -2.462 81 HH21 ARG 8 1HH2 ARG 8 9.358 1.612 -1.192 82 HH22 ARG 8 2HH2 ARG 8 10.348 2.285 -2.442 83 H CYS 9 H CYS 9 5.436 6.750 3.916 84 HA CYS 9 HA CYS 9 3.751 5.400 5.677 85 HB2 CYS 9 2HB CYS 9 3.100 7.288 4.257 86 HB3 CYS 9 1HB CYS 9 3.266 6.284 2.813 87 H TRP 10 H TRP 10 4.044 3.170 5.935 88 HA TRP 10 HA TRP 10 4.490 1.312 3.777 89 HB2 TRP 10 2HB TRP 10 5.190 0.768 5.993 90 HB3 TRP 10 1HB TRP 10 3.607 1.123 6.668 91 HD1 TRP 10 HD TRP 10 5.674 -1.638 5.526 92 HE1 TRP 10 1HE TRP 10 4.298 -3.800 5.239 93 HE3 TRP 10 3HE TRP 10 0.948 0.278 5.708 94 HZ2 TRP 10 2HZ TRP 10 1.552 -4.586 5.116 95 HZ3 TRP 10 3HZ TRP 10 -1.010 -1.180 5.529 96 HH2 TRP 10 HH TRP 10 -0.715 -3.594 5.243 97 H ASN 11 H ASN 11 1.618 2.748 5.125 98 HA ASN 11 HA ASN 11 -0.252 0.691 4.341 99 HB2 ASN 11 2HB ASN 11 -0.792 2.275 6.057 100 HB3 ASN 11 1HB ASN 11 -0.441 3.637 4.994 101 HD21 ASN 11 1HD2 ASN 11 -2.476 0.661 4.709 102 HD22 ASN 11 2HD2 ASN 11 -3.851 1.487 4.156 103 H CYS 12 H CYS 12 0.974 3.619 2.734 104 HA CYS 12 HA CYS 12 -0.405 2.674 0.252 105 HB2 CYS 12 2HB CYS 12 -1.117 4.882 -0.165 106 HB3 CYS 12 1HB CYS 12 -1.347 4.681 1.568 107 H GLY 13 H GLY 13 2.522 3.313 1.730 108 HA2 GLY 13 2HA GLY 13 4.701 3.261 0.853 109 HA3 GLY 13 1HA GLY 13 3.998 3.034 -0.747 110 H LYS 14 H LYS 14 4.573 5.552 1.720 111 HA LYS 14 HA LYS 14 5.499 7.410 -0.334 112 HB2 LYS 14 2HB LYS 14 2.800 7.222 -0.093 113 HB3 LYS 14 1HB LYS 14 3.134 8.468 1.110 114 HG2 LYS 14 2HG LYS 14 4.146 8.549 -1.746 115 HG3 LYS 14 1HG LYS 14 2.711 9.401 -1.178 116 HD2 LYS 14 2HD LYS 14 3.960 10.832 0.216 117 HD3 LYS 14 1HD LYS 14 5.368 9.772 0.197 118 HE2 LYS 14 2HE LYS 14 4.908 10.409 -2.507 119 HE3 LYS 14 1HE LYS 14 4.710 11.934 -1.621 120 HZ1 LYS 14 3HZ LYS 14 7.028 10.102 -1.639 121 HZ2 LYS 14 1HZ LYS 14 6.771 11.159 -0.337 122 HZ3 LYS 14 2HZ LYS 14 6.999 11.779 -1.903 123 H GLU 15 H GLU 15 7.152 8.405 0.725 124 HA GLU 15 HA GLU 15 7.666 8.432 3.490 125 HB2 GLU 15 2HB GLU 15 8.504 9.904 1.057 126 HB3 GLU 15 1HB GLU 15 8.876 10.697 2.589 127 HG2 GLU 15 2HG GLU 15 10.465 9.170 3.120 128 HG3 GLU 15 1HG GLU 15 9.465 7.818 2.588 129 H GLY 16 H GLY 16 7.165 9.886 5.166 130 HA2 GLY 16 2HA GLY 16 6.348 12.349 5.486 131 HA3 GLY 16 1HA GLY 16 4.947 11.788 4.575 132 H HIS 17 H HIS 17 4.828 9.154 5.732 133 HA HIS 17 HA HIS 17 4.600 9.472 8.646 134 HB2 HIS 17 2HB HIS 17 2.096 9.117 8.529 135 HB3 HIS 17 1HB HIS 17 2.636 10.676 7.905 136 HD1 HIS 17 1HD HIS 17 2.680 10.967 5.287 137 HD2 HIS 17 2HD HIS 17 0.955 7.406 6.598 138 HE1 HIS 17 1HE HIS 17 1.457 9.990 3.298 139 H SER 18 H SER 18 3.376 7.397 9.514 140 HA SER 18 HA SER 18 4.610 5.067 8.181 141 HB2 SER 18 2HB SER 18 3.309 4.139 10.389 142 HB3 SER 18 1HB SER 18 4.925 4.850 10.434 143 HG SER 18 HG SER 18 2.474 6.263 10.744 144 H ALA 19 H ALA 19 2.865 3.027 8.831 145 HA ALA 19 HA ALA 19 0.703 3.431 6.854 146 HB1 ALA 19 3HB ALA 19 0.444 0.898 7.412 147 HB2 ALA 19 1HB ALA 19 1.940 1.098 8.327 148 HB3 ALA 19 2HB ALA 19 1.913 1.422 6.596 149 H ARG 20 H ARG 20 1.078 2.746 10.327 150 HA ARG 20 HA ARG 20 -1.621 2.188 10.986 151 HB2 ARG 20 2HB ARG 20 -0.911 3.059 13.234 152 HB3 ARG 20 1HB ARG 20 0.262 1.944 12.532 153 HG2 ARG 20 2HG ARG 20 1.006 4.447 11.535 154 HG3 ARG 20 1HG ARG 20 0.582 4.752 13.219 155 HD2 ARG 20 2HD ARG 20 2.010 2.518 13.600 156 HD3 ARG 20 1HD ARG 20 2.787 3.070 12.103 157 HE ARG 20 HE ARG 20 3.655 4.918 13.301 158 HH11 ARG 20 1HH2 ARG 20 3.190 3.046 15.734 159 HH12 ARG 20 2HH2 ARG 20 2.436 4.153 16.832 160 HH21 ARG 20 1HH1 ARG 20 1.763 6.526 14.394 161 HH22 ARG 20 2HH1 ARG 20 1.625 6.122 16.073 162 H GLN 21 H GLN 21 -0.063 5.163 10.052 163 HA GLN 21 HA GLN 21 -2.287 6.867 11.000 164 HB2 GLN 21 2HB GLN 21 0.094 7.565 11.110 165 HB3 GLN 21 1HB GLN 21 0.199 7.442 9.352 166 HG2 GLN 21 2HG GLN 21 -0.712 9.483 9.095 167 HG3 GLN 21 1HG GLN 21 -2.091 9.041 10.101 168 HE21 GLN 21 1HE2 GLN 21 -2.132 9.808 12.267 169 HE22 GLN 21 2HE2 GLN 21 -0.882 10.743 12.953 170 H CYS 22 H CYS 22 -0.828 5.872 7.882 171 HA CYS 22 HA CYS 22 -2.990 7.142 6.349 172 HB2 CYS 22 2HB CYS 22 -0.340 6.240 5.935 173 HB3 CYS 22 1HB CYS 22 -1.361 5.247 4.895 174 H ARG 23 H ARG 23 -4.803 6.111 5.623 175 HA ARG 23 HA ARG 23 -5.139 3.219 6.295 176 HB2 ARG 23 2HB ARG 23 -6.689 5.628 6.554 177 HB3 ARG 23 1HB ARG 23 -7.551 4.518 5.490 178 HG2 ARG 23 2HG ARG 23 -6.357 3.396 7.986 179 HG3 ARG 23 1HG ARG 23 -7.814 4.381 8.141 180 HD2 ARG 23 2HD ARG 23 -8.113 2.563 5.915 181 HD3 ARG 23 1HD ARG 23 -7.690 1.665 7.384 182 HE ARG 23 HE ARG 23 -9.727 3.748 7.761 183 HH11 ARG 23 1HH1 ARG 23 -10.040 1.097 5.903 184 HH12 ARG 23 2HH1 ARG 23 -11.089 0.203 6.953 185 HH21 ARG 23 1HH2 ARG 23 -10.618 2.325 9.659 186 HH22 ARG 23 2HH2 ARG 23 -11.417 0.900 9.083 187 H ALA 24 H ALA 24 -4.380 5.200 3.709 188 HA ALA 24 HA ALA 24 -4.681 5.059 1.363 189 HB1 ALA 24 3HB ALA 24 -3.900 2.888 0.641 190 HB2 ALA 24 1HB ALA 24 -4.532 2.116 2.098 191 HB3 ALA 24 2HB ALA 24 -3.145 3.197 2.204 192 HA PRO 25 HA PRO 25 -8.770 3.645 0.306 193 HB2 PRO 25 2HB PRO 25 -9.051 1.080 -0.628 194 HB3 PRO 25 1HB PRO 25 -8.412 2.406 -1.620 195 HG2 PRO 25 2HG PRO 25 -6.965 0.234 -0.203 196 HG3 PRO 25 1HG PRO 25 -6.626 0.983 -1.770 197 HD2 PRO 25 2HD PRO 25 -5.265 1.554 0.511 198 HD3 PRO 25 1HD PRO 25 -5.433 2.698 -0.836 199 H ARG 26 H ARG 26 -8.514 0.237 1.002 200 HA ARG 26 HA ARG 26 -10.066 0.634 3.423 201 HB2 ARG 26 2HB ARG 26 -11.088 -1.209 2.626 202 HB3 ARG 26 1HB ARG 26 -9.969 -1.191 1.268 203 HG2 ARG 26 2HG ARG 26 -9.770 -3.352 2.284 204 HG3 ARG 26 1HG ARG 26 -8.330 -2.446 2.754 205 HD2 ARG 26 2HD ARG 26 -8.919 -3.128 4.871 206 HD3 ARG 26 1HD ARG 26 -10.056 -1.768 4.776 207 HE ARG 26 HE ARG 26 -11.822 -3.316 4.258 208 HH11 ARG 26 1HH2 ARG 26 -10.440 -5.206 2.467 209 HH12 ARG 26 2HH2 ARG 26 -10.287 -6.629 3.444 210 HH21 ARG 26 1HH1 ARG 26 -10.895 -4.966 6.426 211 HH22 ARG 26 2HH1 ARG 26 -10.548 -6.493 5.687 212 H ARG 27 H ARG 27 -6.896 -0.353 2.406 213 HA ARG 27 HA ARG 27 -5.015 -0.118 4.105 214 HB2 ARG 27 2HB ARG 27 -7.059 -1.717 5.657 215 HB3 ARG 27 1HB ARG 27 -5.355 -1.763 6.065 216 HG2 ARG 27 2HG ARG 27 -6.679 0.904 5.723 217 HG3 ARG 27 1HG ARG 27 -6.897 0.009 7.229 218 HD2 ARG 27 2HD ARG 27 -4.151 0.488 6.041 219 HD3 ARG 27 1HD ARG 27 -4.898 1.610 7.196 220 HE ARG 27 HE ARG 27 -4.215 -1.236 7.777 221 HH11 ARG 27 1HH2 ARG 27 -6.620 -0.333 9.289 222 HH12 ARG 27 2HH2 ARG 27 -5.928 0.325 10.732 223 HH21 ARG 27 1HH1 ARG 27 -2.733 0.569 9.405 224 HH22 ARG 27 2HH1 ARG 27 -3.726 0.836 10.799 225 H GLN 28 H GLN 28 -3.899 -2.334 5.043 226 HA GLN 28 HA GLN 28 -4.159 -4.371 2.855 227 HB2 GLN 28 2HB GLN 28 -1.845 -2.838 3.956 228 HB3 GLN 28 1HB GLN 28 -1.550 -4.515 3.494 229 HG2 GLN 28 2HG GLN 28 -1.133 -2.941 1.613 230 HG3 GLN 28 1HG GLN 28 -2.432 -4.079 1.250 231 HE21 GLN 28 1HE2 GLN 28 -2.364 -0.997 3.136 232 HE22 GLN 28 2HE2 GLN 28 -3.641 -0.271 2.267 233 H GLY 29 H GLY 29 -5.233 -5.964 4.043 234 HA2 GLY 29 2HA GLY 29 -5.177 -6.637 6.697 235 HA3 GLY 29 1HA GLY 29 -5.241 -7.874 5.444 236 H CYS 30 H CYS 30 -3.009 -8.427 4.474 237 HA CYS 30 HA CYS 30 -1.267 -9.385 6.506 238 HB2 CYS 30 2HB CYS 30 -1.586 -9.982 3.989 239 HB3 CYS 30 1HB CYS 30 -0.410 -8.701 3.697 240 H TRP 31 H TRP 31 0.838 -8.605 7.168 241 HA TRP 31 HA TRP 31 1.402 -5.766 6.433 242 HB2 TRP 31 2HB TRP 31 0.538 -6.816 8.927 243 HB3 TRP 31 1HB TRP 31 2.223 -6.318 9.120 244 HD1 TRP 31 HD TRP 31 -1.169 -4.944 7.969 245 HE1 TRP 31 1HE TRP 31 -1.136 -2.371 8.173 246 HE3 TRP 31 3HE TRP 31 3.689 -4.258 9.303 247 HZ2 TRP 31 2HZ TRP 31 0.739 -0.300 8.822 248 HZ3 TRP 31 3HZ TRP 31 4.586 -1.982 9.707 249 HH2 TRP 31 HH TRP 31 3.114 -0.001 9.468 250 H LYS 32 H LYS 32 2.503 -8.613 5.829 251 HA LYS 32 HA LYS 32 5.367 -7.916 6.367 252 HB2 LYS 32 2HB LYS 32 4.220 -9.875 7.647 253 HB3 LYS 32 1HB LYS 32 4.290 -10.726 6.102 254 HG2 LYS 32 2HG LYS 32 6.796 -9.380 6.932 255 HG3 LYS 32 1HG LYS 32 6.309 -10.758 7.923 256 HD2 LYS 32 2HD LYS 32 5.882 -11.526 5.234 257 HD3 LYS 32 1HD LYS 32 7.470 -10.759 5.283 258 HE2 LYS 32 2HE LYS 32 7.961 -12.219 7.331 259 HE3 LYS 32 1HE LYS 32 6.502 -13.132 6.898 260 HZ1 LYS 32 3HZ LYS 32 9.036 -12.899 5.465 261 HZ2 LYS 32 1HZ LYS 32 7.627 -12.933 4.521 262 HZ3 LYS 32 2HZ LYS 32 7.970 -14.219 5.578 263 H CYS 33 H CYS 33 2.986 -8.271 4.054 264 HA CYS 33 HA CYS 33 5.014 -8.634 1.901 265 HB2 CYS 33 2HB CYS 33 2.364 -10.106 1.987 266 HB3 CYS 33 1HB CYS 33 3.697 -10.364 0.861 267 H GLY 34 H GLY 34 1.493 -8.150 2.455 268 HA2 GLY 34 2HA GLY 34 0.384 -6.052 1.889 269 HA3 GLY 34 1HA GLY 34 1.652 -5.748 0.704 270 H LYS 35 H LYS 35 -1.049 -7.998 1.375 271 HA LYS 35 HA LYS 35 -1.691 -7.936 -1.523 272 HB2 LYS 35 2HB LYS 35 -0.278 -10.022 -0.195 273 HB3 LYS 35 1HB LYS 35 -1.875 -10.643 -0.617 274 HG2 LYS 35 2HG LYS 35 -0.904 -9.100 -2.824 275 HG3 LYS 35 1HG LYS 35 0.360 -10.234 -2.344 276 HD2 LYS 35 2HD LYS 35 -1.154 -11.262 -3.994 277 HD3 LYS 35 1HD LYS 35 -1.270 -12.088 -2.440 278 HE2 LYS 35 2HE LYS 35 -3.515 -11.583 -3.519 279 HE3 LYS 35 1HE LYS 35 -3.325 -10.886 -1.898 280 HZ1 LYS 35 3HZ LYS 35 -2.938 -8.796 -2.734 281 HZ2 LYS 35 1HZ LYS 35 -4.067 -9.373 -3.859 282 HZ3 LYS 35 2HZ LYS 35 -2.414 -9.369 -4.246 283 H THR 36 H THR 36 -2.806 -7.653 1.548 284 HA THR 36 HA THR 36 -4.946 -7.765 2.499 285 HB THR 36 HB THR 36 -6.605 -6.940 1.039 286 HG1 THR 36 1HG THR 36 -5.257 -8.046 -1.175 287 HG21 THR 36 3HG2 THR 36 -5.494 -5.160 0.185 288 HG22 THR 36 1HG2 THR 36 -4.479 -6.176 -0.839 289 HG23 THR 36 2HG2 THR 36 -4.053 -5.927 0.854 290 H GLY 37 H GLY 37 -7.035 -9.121 2.522 291 HA2 GLY 37 2HA GLY 37 -8.108 -11.213 2.496 292 HA3 GLY 37 1HA GLY 37 -7.173 -11.591 1.048 293 H HIS 38 H HIS 38 -4.714 -11.911 1.601 294 HA HIS 38 HA HIS 38 -4.583 -14.069 3.592 295 HB2 HIS 38 2HB HIS 38 -2.906 -14.758 2.220 296 HB3 HIS 38 1HB HIS 38 -3.456 -13.488 1.134 297 HD1 HIS 38 1HD HIS 38 -1.472 -12.223 0.312 298 HD2 HIS 38 2HD HIS 38 -1.083 -13.287 4.316 299 HE1 HIS 38 1HE HIS 38 0.743 -11.265 1.088 300 H VAL 39 H VAL 39 -3.234 -14.012 5.479 301 HA VAL 39 HA VAL 39 -2.578 -11.234 6.383 302 HB VAL 39 HB VAL 39 -2.954 -12.162 8.633 303 HG11 VAL 39 1HG1 VAL 39 -4.900 -12.008 6.516 304 HG12 VAL 39 2HG1 VAL 39 -5.104 -11.636 8.228 305 HG13 VAL 39 3HG1 VAL 39 -5.367 -13.280 7.646 306 HG21 VAL 39 3HG2 VAL 39 -3.667 -14.483 8.916 307 HG22 VAL 39 1HG2 VAL 39 -2.099 -14.453 8.109 308 HG23 VAL 39 2HG2 VAL 39 -3.565 -14.755 7.177 309 H MET 40 H MET 40 -0.654 -10.982 7.727 310 HA MET 40 HA MET 40 1.759 -11.860 6.735 311 HB2 MET 40 2HB MET 40 2.381 -10.469 8.402 312 HB3 MET 40 1HB MET 40 0.728 -10.501 9.004 313 HG2 MET 40 2HG MET 40 1.392 -12.687 10.201 314 HG3 MET 40 1HG MET 40 3.059 -12.230 9.846 315 HE1 MET 40 3HE MET 40 4.375 -10.167 11.383 316 HE2 MET 40 1HE MET 40 4.128 -11.909 11.566 317 HE3 MET 40 2HE MET 40 3.894 -10.835 12.942 318 H ALA 41 H ALA 41 -0.384 -13.652 8.881 319 HA ALA 41 HA ALA 41 1.493 -15.696 9.684 320 HB1 ALA 41 3HB ALA 41 -1.145 -16.708 9.646 321 HB2 ALA 41 1HB ALA 41 -1.294 -14.980 9.961 322 HB3 ALA 41 2HB ALA 41 -0.304 -15.985 11.019 323 H LYS 42 H LYS 42 0.079 -15.080 6.647 324 HA LYS 42 HA LYS 42 0.885 -17.767 5.701 325 HB2 LYS 42 2HB LYS 42 -1.772 -16.976 6.501 326 HB3 LYS 42 1HB LYS 42 -1.727 -17.397 4.777 327 HG2 LYS 42 2HG LYS 42 -0.366 -19.173 6.790 328 HG3 LYS 42 1HG LYS 42 -2.112 -19.293 6.570 329 HD2 LYS 42 2HD LYS 42 -1.858 -19.810 4.228 330 HD3 LYS 42 1HD LYS 42 -0.132 -19.448 4.282 331 HE2 LYS 42 2HE LYS 42 0.371 -21.522 5.067 332 HE3 LYS 42 1HE LYS 42 -0.940 -21.470 6.260 333 HZ1 LYS 42 3HZ LYS 42 -1.113 -22.148 3.384 334 HZ2 LYS 42 1HZ LYS 42 -2.479 -21.691 4.278 335 HZ3 LYS 42 2HZ LYS 42 -1.606 -23.081 4.715 336 H CYS 43 H CYS 43 2.127 -15.623 4.715 337 HA CYS 43 HA CYS 43 0.633 -14.539 2.406 338 HB2 CYS 43 2HB CYS 43 3.474 -14.179 3.356 339 HB3 CYS 43 1HB CYS 43 2.616 -13.156 2.206 340 HA PRO 44 HA PRO 44 2.450 -17.590 -0.241 341 HB2 PRO 44 2HB PRO 44 1.552 -16.571 -2.610 342 HB3 PRO 44 1HB PRO 44 0.498 -17.423 -1.466 343 HG2 PRO 44 2HG PRO 44 0.682 -14.547 -2.065 344 HG3 PRO 44 1HG PRO 44 -0.680 -15.491 -1.451 345 HD2 PRO 44 2HD PRO 44 1.039 -13.816 0.040 346 HD3 PRO 44 1HD PRO 44 -0.186 -14.932 0.679 347 H GLU 45 H GLU 45 4.007 -15.076 0.551 348 HA GLU 45 HA GLU 45 5.942 -13.928 -0.148 349 HB2 GLU 45 2HB GLU 45 5.951 -16.685 -1.052 350 HB3 GLU 45 1HB GLU 45 6.885 -15.668 -2.151 351 HG2 GLU 45 2HG GLU 45 7.726 -14.688 0.238 352 HG3 GLU 45 1HG GLU 45 7.408 -16.366 0.682 353 H ARG 46 H ARG 46 3.438 -13.290 -1.506 354 HA ARG 46 HA ARG 46 2.599 -12.552 -3.641 355 HB2 ARG 46 2HB ARG 46 4.523 -10.526 -3.987 356 HB3 ARG 46 1HB ARG 46 3.014 -10.409 -3.093 357 HG2 ARG 46 2HG ARG 46 4.057 -10.694 -1.033 358 HG3 ARG 46 1HG ARG 46 5.402 -11.600 -1.718 359 HD2 ARG 46 2HD ARG 46 5.494 -9.050 -2.937 360 HD3 ARG 46 1HD ARG 46 5.260 -8.776 -1.198 361 HE ARG 46 HE ARG 46 7.339 -9.875 -0.779 362 HH11 ARG 46 1HH1 ARG 46 6.203 -11.305 -3.593 363 HH12 ARG 46 2HH1 ARG 46 7.745 -11.433 -4.364 364 HH21 ARG 46 1HH2 ARG 46 9.399 -9.550 -1.969 365 HH22 ARG 46 2HH2 ARG 46 9.554 -10.443 -3.445 366 H GLN 47 H GLN 47 3.005 -14.181 -5.212 367 HA GLN 47 HA GLN 47 5.638 -14.274 -6.544 368 HB2 GLN 47 2HB GLN 47 4.614 -16.154 -7.729 369 HB3 GLN 47 1HB GLN 47 4.246 -16.286 -6.009 370 HG2 GLN 47 2HG GLN 47 2.034 -15.319 -6.369 371 HG3 GLN 47 1HG GLN 47 2.397 -15.057 -8.071 372 HE21 GLN 47 1HE2 GLN 47 0.982 -16.553 -9.080 373 HE22 GLN 47 2HE2 GLN 47 0.983 -18.219 -8.754 374 H ALA 48 H ALA 48 2.393 -13.039 -7.122 375 HA ALA 48 HA ALA 48 1.484 -11.875 -8.989 376 HB1 ALA 48 3HB ALA 48 3.096 -10.386 -7.658 377 HB2 ALA 48 1HB ALA 48 2.736 -9.863 -9.303 378 HB3 ALA 48 2HB ALA 48 4.261 -10.675 -8.949 379 H GLY 49 H GLY 49 2.871 -14.404 -9.705 380 HA2 GLY 49 2HA GLY 49 2.767 -14.974 -12.194 381 HA3 GLY 49 1HA GLY 49 3.924 -13.658 -12.399 Start of MODEL 10 1 H1 ALA 1 1HT ALA 1 22.820 6.348 1.437 2 H2 ALA 1 2HT ALA 1 23.121 6.930 -0.131 3 H3 ALA 1 3HT ALA 1 23.842 5.484 0.396 4 HA ALA 1 HA ALA 1 21.820 4.306 0.339 5 HB1 ALA 1 3HB ALA 1 20.847 7.107 0.589 6 HB2 ALA 1 1HB ALA 1 20.268 5.644 1.386 7 HB3 ALA 1 2HB ALA 1 19.794 5.988 -0.277 8 H GLN 2 H GLN 2 21.450 3.325 -1.625 9 HA GLN 2 HA GLN 2 22.396 4.648 -4.073 10 HB2 GLN 2 2HB GLN 2 22.497 2.135 -3.144 11 HB3 GLN 2 1HB GLN 2 20.988 2.014 -4.050 12 HG2 GLN 2 2HG GLN 2 22.050 2.643 -6.092 13 HG3 GLN 2 1HG GLN 2 23.511 3.166 -5.252 14 HE21 GLN 2 1HE2 GLN 2 25.107 1.670 -5.857 15 HE22 GLN 2 2HE2 GLN 2 24.922 -0.015 -5.784 16 H GLN 3 H GLN 3 21.027 5.945 -5.231 17 HA GLN 3 HA GLN 3 19.055 6.695 -6.297 18 HB2 GLN 3 2HB GLN 3 19.068 3.831 -6.203 19 HB3 GLN 3 1HB GLN 3 17.412 4.385 -5.950 20 HG2 GLN 3 2HG GLN 3 18.789 5.882 -8.054 21 HG3 GLN 3 1HG GLN 3 18.673 4.158 -8.410 22 HE21 GLN 3 1HE2 GLN 3 17.115 6.607 -9.489 23 HE22 GLN 3 2HE2 GLN 3 15.487 6.159 -9.306 24 H ARG 4 H ARG 4 17.703 8.113 -5.277 25 HA ARG 4 HA ARG 4 16.787 7.628 -2.528 26 HB2 ARG 4 2HB ARG 4 17.587 9.820 -3.444 27 HB3 ARG 4 1HB ARG 4 16.180 9.852 -4.506 28 HG2 ARG 4 2HG ARG 4 14.669 10.012 -2.673 29 HG3 ARG 4 1HG ARG 4 15.916 9.568 -1.509 30 HD2 ARG 4 2HD ARG 4 16.910 11.678 -1.561 31 HD3 ARG 4 1HD ARG 4 16.311 12.028 -3.195 32 HE ARG 4 HE ARG 4 14.513 11.906 -0.798 33 HH11 ARG 4 1HH1 ARG 4 15.913 14.121 -2.811 34 HH12 ARG 4 2HH1 ARG 4 14.442 14.830 -3.387 35 HH21 ARG 4 1HH2 ARG 4 12.409 12.393 -1.991 36 HH22 ARG 4 2HH2 ARG 4 12.458 13.852 -2.922 37 H LYS 5 H LYS 5 15.517 5.632 -3.322 38 HA LYS 5 HA LYS 5 13.276 5.715 -5.028 39 HB2 LYS 5 2HB LYS 5 12.513 3.807 -3.539 40 HB3 LYS 5 1HB LYS 5 14.174 3.664 -4.118 41 HG2 LYS 5 2HG LYS 5 14.969 3.693 -2.011 42 HG3 LYS 5 1HG LYS 5 14.114 5.199 -1.670 43 HD2 LYS 5 2HD LYS 5 12.635 4.081 -0.397 44 HD3 LYS 5 1HD LYS 5 12.188 3.083 -1.782 45 HE2 LYS 5 2HE LYS 5 13.091 1.818 0.262 46 HE3 LYS 5 1HE LYS 5 13.911 1.469 -1.273 47 HZ1 LYS 5 3HZ LYS 5 15.745 2.611 -0.667 48 HZ2 LYS 5 1HZ LYS 5 15.210 2.269 0.905 49 HZ3 LYS 5 2HZ LYS 5 14.873 3.780 0.207 50 H VAL 6 H VAL 6 11.282 6.674 -4.846 51 HA VAL 6 HA VAL 6 10.639 8.476 -2.699 52 HB VAL 6 HB VAL 6 8.764 7.131 -4.667 53 HG11 VAL 6 1HG1 VAL 6 8.191 8.894 -2.682 54 HG12 VAL 6 2HG1 VAL 6 7.300 8.824 -4.203 55 HG13 VAL 6 3HG1 VAL 6 8.585 10.012 -3.988 56 HG21 VAL 6 3HG2 VAL 6 9.392 9.256 -6.045 57 HG22 VAL 6 1HG2 VAL 6 10.493 7.880 -6.072 58 HG23 VAL 6 2HG2 VAL 6 10.847 9.272 -5.047 59 H ILE 7 H ILE 7 10.556 7.492 -0.680 60 HA ILE 7 HA ILE 7 10.000 5.130 0.340 61 HB ILE 7 HB ILE 7 9.961 7.658 1.267 62 HG12 ILE 7 2HG1 ILE 7 10.478 5.461 2.445 63 HG13 ILE 7 1HG1 ILE 7 9.754 6.713 3.456 64 HG21 ILE 7 1HG2 ILE 7 7.596 8.019 0.638 65 HG22 ILE 7 2HG2 ILE 7 7.817 8.102 2.386 66 HG23 ILE 7 3HG2 ILE 7 7.128 6.654 1.651 67 HD11 ILE 7 3HD1 ILE 7 8.800 4.214 3.425 68 HD12 ILE 7 1HD1 ILE 7 7.904 4.847 2.045 69 HD13 ILE 7 2HD1 ILE 7 7.739 5.609 3.627 70 H ARG 8 H ARG 8 8.527 3.517 0.041 71 HA ARG 8 HA ARG 8 5.933 4.115 -1.287 72 HB2 ARG 8 2HB ARG 8 7.905 2.137 -1.462 73 HB3 ARG 8 1HB ARG 8 6.556 1.336 -0.658 74 HG2 ARG 8 2HG ARG 8 5.071 2.358 -2.493 75 HG3 ARG 8 1HG ARG 8 6.573 2.705 -3.350 76 HD2 ARG 8 2HD ARG 8 5.599 0.515 -4.051 77 HD3 ARG 8 1HD ARG 8 7.175 0.298 -3.266 78 HE ARG 8 HE ARG 8 4.978 0.251 -1.358 79 HH11 ARG 8 1HH2 ARG 8 6.458 -1.590 -3.861 80 HH12 ARG 8 2HH2 ARG 8 6.300 -3.101 -3.028 81 HH21 ARG 8 1HH1 ARG 8 4.912 -1.692 -0.181 82 HH22 ARG 8 2HH1 ARG 8 5.427 -3.158 -0.946 83 H CYS 9 H CYS 9 4.048 4.151 -0.110 84 HA CYS 9 HA CYS 9 4.088 3.534 2.759 85 HB2 CYS 9 2HB CYS 9 1.873 4.509 2.674 86 HB3 CYS 9 1HB CYS 9 2.911 5.467 1.617 87 H TRP 10 H TRP 10 3.189 1.693 3.700 88 HA TRP 10 HA TRP 10 2.673 -0.604 2.018 89 HB2 TRP 10 2HB TRP 10 3.348 -1.546 3.951 90 HB3 TRP 10 1HB TRP 10 3.276 0.022 4.740 91 HD1 TRP 10 HD TRP 10 0.465 -2.380 3.560 92 HE1 TRP 10 1HE TRP 10 -1.151 -2.736 5.534 93 HE3 TRP 10 3HE TRP 10 2.841 0.382 7.078 94 HZ2 TRP 10 2HZ TRP 10 -1.379 -1.944 8.292 95 HZ3 TRP 10 3HZ TRP 10 1.928 0.578 9.382 96 HH2 TRP 10 HH TRP 10 -0.180 -0.583 9.991 97 H ASN 11 H ASN 11 0.577 1.161 4.322 98 HA ASN 11 HA ASN 11 -1.846 -0.020 4.092 99 HB2 ASN 11 2HB ASN 11 -2.679 2.006 4.823 100 HB3 ASN 11 1HB ASN 11 -0.959 2.326 5.023 101 HD21 ASN 11 1HD2 ASN 11 -3.685 2.822 2.756 102 HD22 ASN 11 2HD2 ASN 11 -3.019 4.189 2.002 103 H CYS 12 H CYS 12 -0.431 2.003 1.519 104 HA CYS 12 HA CYS 12 -2.630 1.057 -0.287 105 HB2 CYS 12 2HB CYS 12 -2.463 3.187 -1.382 106 HB3 CYS 12 1HB CYS 12 -2.467 3.515 0.351 107 H GLY 13 H GLY 13 0.771 1.153 0.299 108 HA2 GLY 13 2HA GLY 13 2.567 0.214 -0.884 109 HA3 GLY 13 1HA GLY 13 1.367 -0.683 -1.813 110 H LYS 14 H LYS 14 2.904 2.526 -1.576 111 HA LYS 14 HA LYS 14 3.179 2.672 -4.473 112 HB2 LYS 14 2HB LYS 14 0.712 3.314 -3.477 113 HB3 LYS 14 1HB LYS 14 1.505 4.890 -3.468 114 HG2 LYS 14 2HG LYS 14 1.375 3.026 -5.857 115 HG3 LYS 14 1HG LYS 14 0.354 4.445 -5.625 116 HD2 LYS 14 2HD LYS 14 2.052 5.914 -6.080 117 HD3 LYS 14 1HD LYS 14 3.284 4.875 -5.365 118 HE2 LYS 14 2HE LYS 14 2.327 3.435 -7.591 119 HE3 LYS 14 1HE LYS 14 2.521 5.108 -8.152 120 HZ1 LYS 14 3HZ LYS 14 4.668 4.354 -8.316 121 HZ2 LYS 14 1HZ LYS 14 4.527 3.295 -7.001 122 HZ3 LYS 14 2HZ LYS 14 4.687 4.964 -6.732 123 H GLU 15 H GLU 15 5.089 3.742 -4.712 124 HA GLU 15 HA GLU 15 6.573 5.034 -2.729 125 HB2 GLU 15 2HB GLU 15 8.006 5.465 -4.493 126 HB3 GLU 15 1HB GLU 15 6.946 4.301 -5.280 127 HG2 GLU 15 2HG GLU 15 5.527 6.413 -5.915 128 HG3 GLU 15 1HG GLU 15 7.020 7.293 -5.587 129 H GLY 16 H GLY 16 6.684 7.171 -1.960 130 HA2 GLY 16 2HA GLY 16 6.011 9.584 -2.779 131 HA3 GLY 16 1HA GLY 16 4.385 8.908 -2.702 132 H HIS 17 H HIS 17 4.710 7.316 -0.355 133 HA HIS 17 HA HIS 17 5.663 9.090 1.800 134 HB2 HIS 17 2HB HIS 17 3.300 9.160 2.757 135 HB3 HIS 17 1HB HIS 17 3.548 10.120 1.298 136 HD1 HIS 17 1HD HIS 17 2.667 9.059 -0.976 137 HD2 HIS 17 2HD HIS 17 1.466 7.061 2.479 138 HE1 HIS 17 1HE HIS 17 0.774 7.521 -1.660 139 H SER 18 H SER 18 4.687 8.005 4.001 140 HA SER 18 HA SER 18 5.286 5.085 3.737 141 HB2 SER 18 2HB SER 18 5.403 5.728 6.406 142 HB3 SER 18 1HB SER 18 6.780 5.800 5.304 143 HG SER 18 HG SER 18 5.231 7.833 6.395 144 H ALA 19 H ALA 19 4.074 3.685 5.380 145 HA ALA 19 HA ALA 19 1.221 4.049 5.086 146 HB1 ALA 19 3HB ALA 19 1.166 1.896 5.923 147 HB2 ALA 19 1HB ALA 19 2.371 2.239 7.162 148 HB3 ALA 19 2HB ALA 19 2.874 1.961 5.496 149 H ARG 20 H ARG 20 3.560 4.898 7.563 150 HA ARG 20 HA ARG 20 1.841 5.241 9.809 151 HB2 ARG 20 2HB ARG 20 4.195 5.309 10.119 152 HB3 ARG 20 1HB ARG 20 4.411 6.502 8.838 153 HG2 ARG 20 2HG ARG 20 3.493 8.251 10.168 154 HG3 ARG 20 1HG ARG 20 2.834 7.114 11.344 155 HD2 ARG 20 2HD ARG 20 4.790 7.047 12.499 156 HD3 ARG 20 1HD ARG 20 5.735 6.819 11.013 157 HE ARG 20 HE ARG 20 4.682 9.506 11.821 158 HH11 ARG 20 1HH1 ARG 20 7.518 8.025 12.280 159 HH12 ARG 20 2HH1 ARG 20 8.472 8.996 11.209 160 HH21 ARG 20 1HH2 ARG 20 5.732 10.506 9.710 161 HH22 ARG 20 2HH2 ARG 20 7.461 10.403 9.754 162 H GLN 21 H GLN 21 2.055 7.001 6.851 163 HA GLN 21 HA GLN 21 0.573 9.322 8.032 164 HB2 GLN 21 2HB GLN 21 2.513 10.093 6.946 165 HB3 GLN 21 1HB GLN 21 2.398 8.876 5.676 166 HG2 GLN 21 2HG GLN 21 0.722 10.042 4.526 167 HG3 GLN 21 1HG GLN 21 0.244 10.957 5.957 168 HE21 GLN 21 1HE2 GLN 21 0.568 13.031 4.869 169 HE22 GLN 21 2HE2 GLN 21 2.134 13.609 4.516 170 H CYS 22 H CYS 22 0.629 7.191 5.151 171 HA CYS 22 HA CYS 22 -2.156 7.961 4.476 172 HB2 CYS 22 2HB CYS 22 -0.315 7.761 2.795 173 HB3 CYS 22 1HB CYS 22 -0.206 6.040 3.165 174 H ARG 23 H ARG 23 -3.835 6.863 5.079 175 HA ARG 23 HA ARG 23 -3.540 4.014 5.932 176 HB2 ARG 23 2HB ARG 23 -3.804 5.253 7.913 177 HB3 ARG 23 1HB ARG 23 -4.830 6.453 7.135 178 HG2 ARG 23 2HG ARG 23 -5.991 4.869 8.734 179 HG3 ARG 23 1HG ARG 23 -6.700 4.990 7.128 180 HD2 ARG 23 2HD ARG 23 -6.520 2.718 6.997 181 HD3 ARG 23 1HD ARG 23 -4.760 2.937 6.934 182 HE ARG 23 HE ARG 23 -4.648 2.359 9.229 183 HH11 ARG 23 1HH1 ARG 23 -7.306 0.900 8.515 184 HH12 ARG 23 2HH1 ARG 23 -8.272 1.353 9.879 185 HH21 ARG 23 1HH2 ARG 23 -6.132 3.882 10.895 186 HH22 ARG 23 2HH2 ARG 23 -7.608 3.038 11.223 187 H ALA 24 H ALA 24 -4.237 5.236 3.342 188 HA ALA 24 HA ALA 24 -6.789 5.562 2.502 189 HB1 ALA 24 3HB ALA 24 -6.125 4.239 0.493 190 HB2 ALA 24 1HB ALA 24 -4.751 3.607 1.401 191 HB3 ALA 24 2HB ALA 24 -4.850 5.329 1.037 192 HA PRO 25 HA PRO 25 -9.400 2.280 3.680 193 HB2 PRO 25 2HB PRO 25 -11.018 2.049 1.486 194 HB3 PRO 25 1HB PRO 25 -11.120 3.395 2.640 195 HG2 PRO 25 2HG PRO 25 -9.777 3.281 -0.022 196 HG3 PRO 25 1HG PRO 25 -10.750 4.577 0.695 197 HD2 PRO 25 2HD PRO 25 -8.049 4.655 0.639 198 HD3 PRO 25 1HD PRO 25 -8.998 5.378 1.960 199 H ARG 26 H ARG 26 -7.970 1.864 0.435 200 HA ARG 26 HA ARG 26 -8.597 -0.821 0.059 201 HB2 ARG 26 2HB ARG 26 -6.940 -0.748 -1.629 202 HB3 ARG 26 1HB ARG 26 -7.508 0.914 -1.486 203 HG2 ARG 26 2HG ARG 26 -5.115 -0.093 0.059 204 HG3 ARG 26 1HG ARG 26 -4.972 0.572 -1.566 205 HD2 ARG 26 2HD ARG 26 -6.146 2.010 0.837 206 HD3 ARG 26 1HD ARG 26 -4.593 2.361 0.053 207 HE ARG 26 HE ARG 26 -7.268 2.753 -1.217 208 HH11 ARG 26 1HH2 ARG 26 -4.254 2.169 -2.372 209 HH12 ARG 26 2HH2 ARG 26 -4.011 3.708 -3.127 210 HH21 ARG 26 1HH1 ARG 26 -6.796 5.163 -1.656 211 HH22 ARG 26 2HH1 ARG 26 -5.451 5.405 -2.720 212 H ARG 27 H ARG 27 -6.569 0.550 2.448 213 HA ARG 27 HA ARG 27 -4.447 -0.953 3.035 214 HB2 ARG 27 2HB ARG 27 -6.629 0.251 4.541 215 HB3 ARG 27 1HB ARG 27 -5.916 -1.107 5.409 216 HG2 ARG 27 2HG ARG 27 -3.686 0.194 4.452 217 HG3 ARG 27 1HG ARG 27 -4.775 1.536 4.798 218 HD2 ARG 27 2HD ARG 27 -3.312 0.813 6.763 219 HD3 ARG 27 1HD ARG 27 -5.055 0.802 7.100 220 HE ARG 27 HE ARG 27 -3.782 -1.703 6.115 221 HH11 ARG 27 1HH2 ARG 27 -4.737 0.134 8.840 222 HH12 ARG 27 2HH2 ARG 27 -5.375 -1.220 9.712 223 HH21 ARG 27 1HH1 ARG 27 -4.872 -3.467 7.120 224 HH22 ARG 27 2HH1 ARG 27 -5.450 -3.256 8.740 225 H GLN 28 H GLN 28 -3.932 -3.084 3.558 226 HA GLN 28 HA GLN 28 -6.196 -5.029 3.828 227 HB2 GLN 28 2HB GLN 28 -4.666 -6.528 2.387 228 HB3 GLN 28 1HB GLN 28 -5.483 -5.202 1.562 229 HG2 GLN 28 2HG GLN 28 -2.834 -4.568 2.751 230 HG3 GLN 28 1HG GLN 28 -2.825 -5.636 1.347 231 HE21 GLN 28 1HE2 GLN 28 -2.550 -2.437 2.090 232 HE22 GLN 28 2HE2 GLN 28 -3.228 -1.749 0.683 233 H GLY 29 H GLY 29 -5.936 -5.844 5.855 234 HA2 GLY 29 2HA GLY 29 -4.046 -5.784 7.730 235 HA3 GLY 29 1HA GLY 29 -4.855 -7.317 7.417 236 H CYS 30 H CYS 30 -3.788 -8.825 5.891 237 HA CYS 30 HA CYS 30 -0.836 -8.618 6.120 238 HB2 CYS 30 2HB CYS 30 -0.888 -10.967 5.663 239 HB3 CYS 30 1HB CYS 30 -2.281 -10.658 6.695 240 H TRP 31 H TRP 31 0.414 -7.966 4.394 241 HA TRP 31 HA TRP 31 -0.929 -7.518 1.787 242 HB2 TRP 31 2HB TRP 31 1.924 -6.852 2.085 243 HB3 TRP 31 1HB TRP 31 0.597 -5.857 1.503 244 HD1 TRP 31 HD TRP 31 -1.232 -5.420 3.817 245 HE1 TRP 31 1HE TRP 31 -0.474 -4.324 6.027 246 HE3 TRP 31 3HE TRP 31 3.743 -6.276 3.499 247 HZ2 TRP 31 2HZ TRP 31 1.979 -3.853 7.455 248 HZ3 TRP 31 3HZ TRP 31 5.296 -5.507 5.283 249 HH2 TRP 31 HH TRP 31 4.413 -4.301 7.264 250 H LYS 32 H LYS 32 1.436 -9.588 3.292 251 HA LYS 32 HA LYS 32 2.837 -10.530 0.996 252 HB2 LYS 32 2HB LYS 32 2.795 -10.909 3.746 253 HB3 LYS 32 1HB LYS 32 2.355 -12.494 3.111 254 HG2 LYS 32 2HG LYS 32 4.685 -10.956 1.973 255 HG3 LYS 32 1HG LYS 32 4.874 -11.975 3.401 256 HD2 LYS 32 2HD LYS 32 4.199 -13.935 2.204 257 HD3 LYS 32 1HD LYS 32 3.649 -12.982 0.825 258 HE2 LYS 32 2HE LYS 32 5.931 -12.322 0.294 259 HE3 LYS 32 1HE LYS 32 6.538 -13.107 1.765 260 HZ1 LYS 32 3HZ LYS 32 4.958 -14.982 0.483 261 HZ2 LYS 32 1HZ LYS 32 6.651 -14.989 0.611 262 HZ3 LYS 32 2HZ LYS 32 5.904 -14.279 -0.741 263 H CYS 33 H CYS 33 -0.459 -10.943 1.767 264 HA CYS 33 HA CYS 33 -0.575 -13.301 -0.078 265 HB2 CYS 33 2HB CYS 33 -2.506 -14.027 1.443 266 HB3 CYS 33 1HB CYS 33 -0.884 -14.145 2.127 267 H GLY 34 H GLY 34 -2.468 -10.613 1.366 268 HA2 GLY 34 2HA GLY 34 -3.635 -9.093 -0.219 269 HA3 GLY 34 1HA GLY 34 -3.986 -10.511 -1.209 270 H LYS 35 H LYS 35 -4.353 -9.828 2.283 271 HA LYS 35 HA LYS 35 -7.283 -10.339 1.994 272 HB2 LYS 35 2HB LYS 35 -5.219 -11.770 3.647 273 HB3 LYS 35 1HB LYS 35 -6.872 -11.663 4.246 274 HG2 LYS 35 2HG LYS 35 -7.233 -12.378 1.602 275 HG3 LYS 35 1HG LYS 35 -5.784 -13.278 2.052 276 HD2 LYS 35 2HD LYS 35 -6.886 -14.475 3.728 277 HD3 LYS 35 1HD LYS 35 -8.154 -13.261 3.899 278 HE2 LYS 35 2HE LYS 35 -7.876 -14.723 1.284 279 HE3 LYS 35 1HE LYS 35 -8.708 -15.505 2.642 280 HZ1 LYS 35 3HZ LYS 35 -10.074 -13.978 1.117 281 HZ2 LYS 35 1HZ LYS 35 -9.292 -12.703 1.918 282 HZ3 LYS 35 2HZ LYS 35 -10.249 -13.798 2.798 283 H THR 36 H THR 36 -7.785 -10.159 4.829 284 HA THR 36 HA THR 36 -6.719 -7.439 5.485 285 HB THR 36 HB THR 36 -8.987 -7.475 4.346 286 HG1 THR 36 1HG THR 36 -9.938 -6.187 6.124 287 HG21 THR 36 3HG2 THR 36 -10.787 -8.554 5.301 288 HG22 THR 36 1HG2 THR 36 -10.136 -8.413 6.935 289 HG23 THR 36 2HG2 THR 36 -9.496 -9.631 5.832 290 H GLY 37 H GLY 37 -7.528 -6.863 7.831 291 HA2 GLY 37 2HA GLY 37 -7.447 -7.351 10.120 292 HA3 GLY 37 1HA GLY 37 -8.132 -8.923 9.708 293 H HIS 38 H HIS 38 -6.781 -10.699 9.652 294 HA HIS 38 HA HIS 38 -4.424 -10.849 11.090 295 HB2 HIS 38 2HB HIS 38 -4.789 -12.995 10.476 296 HB3 HIS 38 1HB HIS 38 -5.973 -12.438 9.301 297 HD1 HIS 38 1HD HIS 38 -5.449 -13.210 6.996 298 HD2 HIS 38 2HD HIS 38 -1.984 -12.629 9.240 299 HE1 HIS 38 1HE HIS 38 -3.509 -13.774 5.471 300 H VAL 39 H VAL 39 -2.159 -10.837 10.490 301 HA VAL 39 HA VAL 39 -1.494 -9.526 7.886 302 HB VAL 39 HB VAL 39 -1.775 -7.893 9.775 303 HG11 VAL 39 1HG1 VAL 39 -0.856 -8.296 11.781 304 HG12 VAL 39 2HG1 VAL 39 0.745 -8.417 11.050 305 HG13 VAL 39 3HG1 VAL 39 -0.283 -9.845 11.163 306 HG21 VAL 39 3HG2 VAL 39 -0.020 -7.815 7.779 307 HG22 VAL 39 1HG2 VAL 39 1.127 -7.877 9.117 308 HG23 VAL 39 2HG2 VAL 39 -0.052 -6.568 9.026 309 H MET 40 H MET 40 1.107 -9.408 7.897 310 HA MET 40 HA MET 40 2.164 -11.998 7.654 311 HB2 MET 40 2HB MET 40 3.203 -9.916 6.818 312 HB3 MET 40 1HB MET 40 3.533 -9.407 8.474 313 HG2 MET 40 2HG MET 40 4.544 -12.085 8.005 314 HG3 MET 40 1HG MET 40 5.208 -10.949 6.830 315 HE1 MET 40 3HE MET 40 5.980 -8.897 7.193 316 HE2 MET 40 1HE MET 40 7.313 -8.632 8.326 317 HE3 MET 40 2HE MET 40 5.702 -8.024 8.698 318 H ALA 41 H ALA 41 1.616 -10.069 10.486 319 HA ALA 41 HA ALA 41 3.307 -11.130 12.482 320 HB1 ALA 41 3HB ALA 41 1.438 -9.335 12.553 321 HB2 ALA 41 1HB ALA 41 1.570 -10.387 13.963 322 HB3 ALA 41 2HB ALA 41 0.325 -10.688 12.752 323 H LYS 42 H LYS 42 0.407 -12.384 11.029 324 HA LYS 42 HA LYS 42 0.649 -14.863 12.666 325 HB2 LYS 42 2HB LYS 42 -0.862 -13.805 13.995 326 HB3 LYS 42 1HB LYS 42 -0.859 -12.451 12.898 327 HG2 LYS 42 2HG LYS 42 -3.083 -13.055 12.932 328 HG3 LYS 42 1HG LYS 42 -2.477 -13.788 11.451 329 HD2 LYS 42 2HD LYS 42 -3.134 -15.818 12.190 330 HD3 LYS 42 1HD LYS 42 -2.069 -15.649 13.586 331 HE2 LYS 42 2HE LYS 42 -3.870 -14.320 14.735 332 HE3 LYS 42 1HE LYS 42 -4.945 -14.697 13.373 333 HZ1 LYS 42 3HZ LYS 42 -4.730 -16.289 15.468 334 HZ2 LYS 42 1HZ LYS 42 -3.451 -16.913 14.544 335 HZ3 LYS 42 2HZ LYS 42 -5.025 -16.883 13.904 336 H CYS 43 H CYS 43 0.726 -13.957 9.668 337 HA CYS 43 HA CYS 43 -1.520 -14.961 8.263 338 HB2 CYS 43 2HB CYS 43 1.062 -13.928 7.843 339 HB3 CYS 43 1HB CYS 43 1.045 -15.479 7.008 340 HA PRO 44 HA PRO 44 -1.034 -19.342 8.370 341 HB2 PRO 44 2HB PRO 44 -0.494 -20.268 5.854 342 HB3 PRO 44 1HB PRO 44 -2.077 -19.625 6.332 343 HG2 PRO 44 2HG PRO 44 0.082 -18.347 4.756 344 HG3 PRO 44 1HG PRO 44 -1.673 -18.184 4.613 345 HD2 PRO 44 2HD PRO 44 -0.009 -16.345 5.806 346 HD3 PRO 44 1HD PRO 44 -1.753 -16.475 6.113 347 H GLU 45 H GLU 45 1.673 -17.600 7.134 348 HA GLU 45 HA GLU 45 3.549 -19.870 7.263 349 HB2 GLU 45 2HB GLU 45 3.964 -16.878 6.941 350 HB3 GLU 45 1HB GLU 45 5.159 -18.132 6.601 351 HG2 GLU 45 2HG GLU 45 2.501 -18.343 5.255 352 HG3 GLU 45 1HG GLU 45 3.626 -17.118 4.666 353 H ARG 46 H ARG 46 2.007 -18.078 9.566 354 HA ARG 46 HA ARG 46 2.580 -17.285 11.735 355 HB2 ARG 46 2HB ARG 46 4.020 -19.365 12.754 356 HB3 ARG 46 1HB ARG 46 2.277 -19.413 12.512 357 HG2 ARG 46 2HG ARG 46 2.610 -20.449 10.294 358 HG3 ARG 46 1HG ARG 46 4.357 -20.395 10.532 359 HD2 ARG 46 2HD ARG 46 3.110 -22.621 11.096 360 HD3 ARG 46 1HD ARG 46 4.279 -22.008 12.280 361 HE ARG 46 HE ARG 46 2.472 -21.525 13.730 362 HH11 ARG 46 1HH2 ARG 46 1.189 -23.445 11.451 363 HH12 ARG 46 2HH2 ARG 46 -0.390 -22.733 11.411 364 HH21 ARG 46 1HH1 ARG 46 0.529 -19.951 13.267 365 HH22 ARG 46 2HH1 ARG 46 -0.763 -20.753 12.438 366 H GLN 47 H GLN 47 4.070 -15.586 10.773 367 HA GLN 47 HA GLN 47 6.960 -16.212 11.246 368 HB2 GLN 47 2HB GLN 47 5.462 -14.151 9.611 369 HB3 GLN 47 1HB GLN 47 7.202 -14.058 9.878 370 HG2 GLN 47 2HG GLN 47 7.562 -16.178 8.799 371 HG3 GLN 47 1HG GLN 47 5.830 -16.505 8.740 372 HE21 GLN 47 1HE2 GLN 47 8.086 -15.931 6.588 373 HE22 GLN 47 2HE2 GLN 47 7.320 -14.830 5.548 374 H ALA 48 H ALA 48 5.695 -15.876 13.615 375 HA ALA 48 HA ALA 48 6.357 -13.054 14.391 376 HB1 ALA 48 3HB ALA 48 4.000 -13.214 14.480 377 HB2 ALA 48 1HB ALA 48 4.493 -13.525 16.144 378 HB3 ALA 48 2HB ALA 48 4.049 -14.868 15.089 379 H GLY 49 H GLY 49 5.741 -16.278 15.863 380 HA2 GLY 49 2HA GLY 49 8.122 -15.776 17.605 381 HA3 GLY 49 1HA GLY 49 6.685 -16.624 18.177 Start of MODEL 11 1 H1 ALA 1 1HT ALA 1 18.593 15.015 -0.845 2 H2 ALA 1 2HT ALA 1 19.956 15.471 -1.753 3 H3 ALA 1 3HT ALA 1 18.430 15.377 -2.495 4 HA ALA 1 HA ALA 1 19.520 17.465 -0.743 5 HB1 ALA 1 3HB ALA 1 18.876 17.109 -3.418 6 HB2 ALA 1 1HB ALA 1 19.109 18.667 -2.629 7 HB3 ALA 1 2HB ALA 1 17.487 17.996 -2.793 8 H GLN 2 H GLN 2 18.270 18.394 0.856 9 HA GLN 2 HA GLN 2 16.439 18.695 2.324 10 HB2 GLN 2 2HB GLN 2 15.759 19.382 -0.208 11 HB3 GLN 2 1HB GLN 2 14.560 18.124 0.090 12 HG2 GLN 2 2HG GLN 2 13.435 19.964 0.941 13 HG3 GLN 2 1HG GLN 2 14.272 19.410 2.393 14 HE21 GLN 2 1HE2 GLN 2 15.851 20.799 3.310 15 HE22 GLN 2 2HE2 GLN 2 16.290 22.295 2.635 16 H GLN 3 H GLN 3 17.432 16.133 2.541 17 HA GLN 3 HA GLN 3 16.815 13.976 3.286 18 HB2 GLN 3 2HB GLN 3 14.497 15.785 3.668 19 HB3 GLN 3 1HB GLN 3 14.120 14.062 3.706 20 HG2 GLN 3 2HG GLN 3 16.299 14.018 5.262 21 HG3 GLN 3 1HG GLN 3 15.792 15.679 5.572 22 HE21 GLN 3 1HE2 GLN 3 15.232 12.427 6.472 23 HE22 GLN 3 2HE2 GLN 3 13.776 12.665 7.311 24 H ARG 4 H ARG 4 16.311 12.069 2.201 25 HA ARG 4 HA ARG 4 15.172 12.320 -0.522 26 HB2 ARG 4 2HB ARG 4 16.832 10.419 1.060 27 HB3 ARG 4 1HB ARG 4 15.847 9.718 -0.225 28 HG2 ARG 4 2HG ARG 4 17.471 12.173 -0.808 29 HG3 ARG 4 1HG ARG 4 18.272 10.602 -0.765 30 HD2 ARG 4 2HD ARG 4 16.197 9.903 -2.299 31 HD3 ARG 4 1HD ARG 4 16.236 11.632 -2.698 32 HE ARG 4 HE ARG 4 18.760 11.231 -3.105 33 HH11 ARG 4 1HH2 ARG 4 18.751 8.323 -2.475 34 HH12 ARG 4 2HH2 ARG 4 18.572 7.599 -4.038 35 HH21 ARG 4 1HH1 ARG 4 17.487 10.523 -5.556 36 HH22 ARG 4 2HH1 ARG 4 17.861 8.847 -5.784 37 H LYS 5 H LYS 5 12.909 12.451 -0.302 38 HA LYS 5 HA LYS 5 10.716 11.659 0.095 39 HB2 LYS 5 2HB LYS 5 12.145 9.026 0.561 40 HB3 LYS 5 1HB LYS 5 10.506 9.263 -0.045 41 HG2 LYS 5 2HG LYS 5 12.334 10.731 -1.707 42 HG3 LYS 5 1HG LYS 5 12.898 9.066 -1.562 43 HD2 LYS 5 2HD LYS 5 11.119 8.228 -2.711 44 HD3 LYS 5 1HD LYS 5 9.985 9.355 -1.965 45 HE2 LYS 5 2HE LYS 5 9.995 10.508 -3.920 46 HE3 LYS 5 1HE LYS 5 11.679 10.950 -3.569 47 HZ1 LYS 5 3HZ LYS 5 12.459 8.993 -4.622 48 HZ2 LYS 5 1HZ LYS 5 11.352 9.697 -5.698 49 HZ3 LYS 5 2HZ LYS 5 10.891 8.351 -4.768 50 H VAL 6 H VAL 6 9.315 11.078 1.909 51 HA VAL 6 HA VAL 6 10.747 10.822 4.526 52 HB VAL 6 HB VAL 6 8.567 12.249 5.198 53 HG11 VAL 6 1HG1 VAL 6 11.310 12.983 4.316 54 HG12 VAL 6 2HG1 VAL 6 10.515 13.253 5.869 55 HG13 VAL 6 3HG1 VAL 6 10.158 14.308 4.500 56 HG21 VAL 6 3HG2 VAL 6 9.193 13.078 2.348 57 HG22 VAL 6 1HG2 VAL 6 8.151 13.968 3.459 58 HG23 VAL 6 2HG2 VAL 6 7.682 12.360 2.908 59 H ILE 7 H ILE 7 10.232 8.761 5.152 60 HA ILE 7 HA ILE 7 8.930 6.839 5.626 61 HB ILE 7 HB ILE 7 6.891 8.974 6.248 62 HG12 ILE 7 2HG1 ILE 7 9.634 8.779 7.123 63 HG13 ILE 7 1HG1 ILE 7 8.424 9.977 7.570 64 HG21 ILE 7 1HG2 ILE 7 6.464 6.432 6.507 65 HG22 ILE 7 2HG2 ILE 7 6.108 7.466 7.889 66 HG23 ILE 7 3HG2 ILE 7 7.594 6.517 7.856 67 HD11 ILE 7 3HD1 ILE 7 8.684 7.250 8.869 68 HD12 ILE 7 1HD1 ILE 7 7.620 8.561 9.373 69 HD13 ILE 7 2HD1 ILE 7 9.367 8.736 9.530 70 H ARG 8 H ARG 8 8.618 6.078 3.391 71 HA ARG 8 HA ARG 8 6.290 6.990 1.846 72 HB2 ARG 8 2HB ARG 8 7.062 5.069 0.376 73 HB3 ARG 8 1HB ARG 8 8.301 6.278 0.709 74 HG2 ARG 8 2HG ARG 8 9.451 4.885 2.194 75 HG3 ARG 8 1HG ARG 8 8.034 3.882 2.504 76 HD2 ARG 8 2HD ARG 8 9.585 3.978 -0.111 77 HD3 ARG 8 1HD ARG 8 9.613 2.651 1.068 78 HE ARG 8 HE ARG 8 6.896 3.163 0.478 79 HH11 ARG 8 1HH2 ARG 8 9.200 0.920 -0.153 80 HH12 ARG 8 2HH2 ARG 8 8.631 0.463 -1.724 81 HH21 ARG 8 1HH1 ARG 8 6.396 3.101 -1.975 82 HH22 ARG 8 2HH1 ARG 8 7.045 1.698 -2.756 83 H CYS 9 H CYS 9 4.240 6.122 2.019 84 HA CYS 9 HA CYS 9 3.723 4.010 3.975 85 HB2 CYS 9 2HB CYS 9 1.488 4.696 3.703 86 HB3 CYS 9 1HB CYS 9 2.398 6.163 3.355 87 H TRP 10 H TRP 10 2.801 1.937 3.486 88 HA TRP 10 HA TRP 10 3.691 0.817 0.907 89 HB2 TRP 10 2HB TRP 10 4.030 -1.002 2.214 90 HB3 TRP 10 1HB TRP 10 3.601 0.017 3.579 91 HD1 TRP 10 HD TRP 10 2.488 -2.945 1.640 92 HE1 TRP 10 1HE TRP 10 0.219 -3.797 2.514 93 HE3 TRP 10 3HE TRP 10 1.166 0.966 4.646 94 HZ2 TRP 10 2HZ TRP 10 -1.868 -2.940 4.268 95 HZ3 TRP 10 3HZ TRP 10 -0.956 0.915 5.913 96 HH2 TRP 10 HH TRP 10 -2.470 -1.028 5.725 97 H ASN 11 H ASN 11 0.598 1.242 2.639 98 HA ASN 11 HA ASN 11 -0.919 -0.257 0.653 99 HB2 ASN 11 2HB ASN 11 -2.833 0.568 2.016 100 HB3 ASN 11 1HB ASN 11 -1.566 -0.151 3.007 101 HD21 ASN 11 1HD2 ASN 11 -3.636 2.166 3.448 102 HD22 ASN 11 2HD2 ASN 11 -2.681 3.406 4.106 103 H CYS 12 H CYS 12 -0.036 3.093 1.155 104 HA CYS 12 HA CYS 12 -1.778 3.817 -1.184 105 HB2 CYS 12 2HB CYS 12 -1.954 5.997 -0.198 106 HB3 CYS 12 1HB CYS 12 -2.202 4.836 1.107 107 H GLY 13 H GLY 13 1.343 3.071 -0.458 108 HA2 GLY 13 2HA GLY 13 3.444 3.727 -1.320 109 HA3 GLY 13 1HA GLY 13 2.536 3.838 -2.831 110 H LYS 14 H LYS 14 3.513 5.696 0.036 111 HA LYS 14 HA LYS 14 3.926 8.099 -1.527 112 HB2 LYS 14 2HB LYS 14 1.560 8.170 -1.686 113 HB3 LYS 14 1HB LYS 14 1.353 7.645 -0.015 114 HG2 LYS 14 2HG LYS 14 0.894 10.020 -0.123 115 HG3 LYS 14 1HG LYS 14 2.428 9.794 0.721 116 HD2 LYS 14 2HD LYS 14 3.642 10.218 -1.391 117 HD3 LYS 14 1HD LYS 14 2.102 10.492 -2.209 118 HE2 LYS 14 2HE LYS 14 2.843 12.681 -1.626 119 HE3 LYS 14 1HE LYS 14 1.685 12.274 -0.344 120 HZ1 LYS 14 3HZ LYS 14 4.425 12.794 -0.084 121 HZ2 LYS 14 1HZ LYS 14 4.172 11.163 0.315 122 HZ3 LYS 14 2HZ LYS 14 3.320 12.378 1.137 123 H GLU 15 H GLU 15 5.141 9.558 -0.319 124 HA GLU 15 HA GLU 15 6.080 8.758 2.305 125 HB2 GLU 15 2HB GLU 15 7.535 10.640 2.047 126 HB3 GLU 15 1HB GLU 15 7.337 9.946 0.441 127 HG2 GLU 15 2HG GLU 15 5.870 11.662 -0.241 128 HG3 GLU 15 1HG GLU 15 5.591 12.201 1.415 129 H GLY 16 H GLY 16 6.029 10.335 4.174 130 HA2 GLY 16 2HA GLY 16 4.786 12.355 5.085 131 HA3 GLY 16 1HA GLY 16 3.348 11.653 4.337 132 H HIS 17 H HIS 17 3.925 8.918 5.002 133 HA HIS 17 HA HIS 17 4.198 8.777 7.934 134 HB2 HIS 17 2HB HIS 17 1.843 7.599 7.910 135 HB3 HIS 17 1HB HIS 17 1.927 9.357 7.957 136 HD1 HIS 17 1HD HIS 17 0.703 10.560 6.149 137 HD2 HIS 17 2HD HIS 17 1.483 6.601 5.103 138 HE1 HIS 17 1HE HIS 17 -0.460 10.164 3.936 139 H SER 18 H SER 18 3.462 6.287 8.495 140 HA SER 18 HA SER 18 4.873 4.616 6.444 141 HB2 SER 18 2HB SER 18 4.978 3.194 8.754 142 HB3 SER 18 1HB SER 18 6.186 4.403 8.309 143 HG SER 18 HG SER 18 4.013 4.586 10.091 144 H ALA 19 H ALA 19 4.183 2.148 6.932 145 HA ALA 19 HA ALA 19 1.352 1.983 6.255 146 HB1 ALA 19 3HB ALA 19 2.891 0.502 5.194 147 HB2 ALA 19 1HB ALA 19 1.962 -0.501 6.305 148 HB3 ALA 19 2HB ALA 19 3.595 0.012 6.733 149 H ARG 20 H ARG 20 2.836 2.452 9.167 150 HA ARG 20 HA ARG 20 1.274 0.540 10.771 151 HB2 ARG 20 2HB ARG 20 3.657 1.622 11.135 152 HB3 ARG 20 1HB ARG 20 2.728 2.954 11.824 153 HG2 ARG 20 2HG ARG 20 1.546 1.224 13.270 154 HG3 ARG 20 1HG ARG 20 2.763 0.067 12.727 155 HD2 ARG 20 2HD ARG 20 4.517 1.781 13.520 156 HD3 ARG 20 1HD ARG 20 3.177 2.574 14.371 157 HE ARG 20 HE ARG 20 4.384 0.058 15.139 158 HH11 ARG 20 1HH2 ARG 20 1.579 2.049 15.172 159 HH12 ARG 20 2HH2 ARG 20 0.739 1.082 16.336 160 HH21 ARG 20 1HH1 ARG 20 3.233 -1.315 16.544 161 HH22 ARG 20 2HH1 ARG 20 1.673 -0.821 17.112 162 H GLN 21 H GLN 21 0.952 3.757 9.513 163 HA GLN 21 HA GLN 21 -1.545 4.126 11.129 164 HB2 GLN 21 2HB GLN 21 -0.984 6.540 11.109 165 HB3 GLN 21 1HB GLN 21 0.303 5.591 11.854 166 HG2 GLN 21 2HG GLN 21 1.507 5.574 9.671 167 HG3 GLN 21 1HG GLN 21 0.252 6.620 9.002 168 HE21 GLN 21 1HE2 GLN 21 -0.099 8.747 10.303 169 HE22 GLN 21 2HE2 GLN 21 1.292 9.485 10.957 170 H CYS 22 H CYS 22 0.063 4.393 8.013 171 HA CYS 22 HA CYS 22 -1.943 5.889 6.614 172 HB2 CYS 22 2HB CYS 22 0.499 5.202 6.016 173 HB3 CYS 22 1HB CYS 22 -0.230 3.711 5.418 174 H ARG 23 H ARG 23 -4.011 5.268 6.308 175 HA ARG 23 HA ARG 23 -4.677 2.365 6.224 176 HB2 ARG 23 2HB ARG 23 -6.056 3.167 7.859 177 HB3 ARG 23 1HB ARG 23 -5.807 4.835 7.359 178 HG2 ARG 23 2HG ARG 23 -8.135 4.350 7.037 179 HG3 ARG 23 1HG ARG 23 -7.401 4.388 5.435 180 HD2 ARG 23 2HD ARG 23 -7.897 2.199 5.065 181 HD3 ARG 23 1HD ARG 23 -7.289 1.722 6.664 182 HE ARG 23 HE ARG 23 -10.049 2.674 6.088 183 HH11 ARG 23 1HH2 ARG 23 -8.626 3.500 8.745 184 HH12 ARG 23 2HH2 ARG 23 -9.287 2.309 9.815 185 HH21 ARG 23 1HH1 ARG 23 -10.486 0.294 7.258 186 HH22 ARG 23 2HH1 ARG 23 -10.343 0.495 8.973 187 H ALA 24 H ALA 24 -4.604 5.315 4.374 188 HA ALA 24 HA ALA 24 -5.449 5.836 2.207 189 HB1 ALA 24 3HB ALA 24 -4.960 2.905 1.699 190 HB2 ALA 24 1HB ALA 24 -3.614 3.949 2.155 191 HB3 ALA 24 2HB ALA 24 -4.531 4.288 0.690 192 HA PRO 25 HA PRO 25 -9.487 4.145 1.540 193 HB2 PRO 25 2HB PRO 25 -9.671 2.558 -0.688 194 HB3 PRO 25 1HB PRO 25 -9.504 4.321 -0.768 195 HG2 PRO 25 2HG PRO 25 -7.471 2.213 -1.202 196 HG3 PRO 25 1HG PRO 25 -7.651 3.790 -1.982 197 HD2 PRO 25 2HD PRO 25 -5.839 3.204 -0.004 198 HD3 PRO 25 1HD PRO 25 -6.397 4.843 -0.400 199 H ARG 26 H ARG 26 -8.851 1.081 0.023 200 HA ARG 26 HA ARG 26 -9.467 -0.225 2.526 201 HB2 ARG 26 2HB ARG 26 -10.880 -1.091 0.976 202 HB3 ARG 26 1HB ARG 26 -9.837 -0.608 -0.356 203 HG2 ARG 26 2HG ARG 26 -10.144 -3.086 -0.048 204 HG3 ARG 26 1HG ARG 26 -8.478 -2.534 -0.110 205 HD2 ARG 26 2HD ARG 26 -8.148 -3.571 1.900 206 HD3 ARG 26 1HD ARG 26 -9.245 -2.378 2.622 207 HE ARG 26 HE ARG 26 -9.929 -5.123 2.071 208 HH11 ARG 26 1HH1 ARG 26 -11.260 -2.977 3.892 209 HH12 ARG 26 2HH1 ARG 26 -12.846 -2.936 3.198 210 HH21 ARG 26 1HH2 ARG 26 -11.915 -4.617 0.310 211 HH22 ARG 26 2HH2 ARG 26 -13.218 -3.869 1.171 212 H ARG 27 H ARG 27 -7.295 -0.028 3.518 213 HA ARG 27 HA ARG 27 -4.963 -1.018 2.186 214 HB2 ARG 27 2HB ARG 27 -4.046 -0.876 4.552 215 HB3 ARG 27 1HB ARG 27 -4.747 0.619 3.925 216 HG2 ARG 27 2HG ARG 27 -6.348 0.617 5.492 217 HG3 ARG 27 1HG ARG 27 -6.770 -1.059 5.136 218 HD2 ARG 27 2HD ARG 27 -5.936 -0.691 7.506 219 HD3 ARG 27 1HD ARG 27 -4.982 -1.872 6.586 220 HE ARG 27 HE ARG 27 -3.679 0.443 5.981 221 HH11 ARG 27 1HH2 ARG 27 -3.161 -1.702 8.287 222 HH12 ARG 27 2HH2 ARG 27 -2.671 -0.616 9.545 223 HH21 ARG 27 1HH1 ARG 27 -3.773 2.224 7.882 224 HH22 ARG 27 2HH1 ARG 27 -3.019 1.610 9.315 225 H GLN 28 H GLN 28 -3.732 -2.981 3.104 226 HA GLN 28 HA GLN 28 -5.696 -5.140 3.813 227 HB2 GLN 28 2HB GLN 28 -2.993 -5.594 2.554 228 HB3 GLN 28 1HB GLN 28 -4.438 -6.597 2.448 229 HG2 GLN 28 2HG GLN 28 -4.085 -3.861 1.193 230 HG3 GLN 28 1HG GLN 28 -4.039 -5.399 0.333 231 HE21 GLN 28 1HE2 GLN 28 -6.290 -6.267 2.390 232 HE22 GLN 28 2HE2 GLN 28 -7.699 -5.625 1.676 233 H GLY 29 H GLY 29 -5.385 -6.034 5.820 234 HA2 GLY 29 2HA GLY 29 -3.452 -5.159 7.663 235 HA3 GLY 29 1HA GLY 29 -4.273 -6.720 7.778 236 H CYS 30 H CYS 30 -3.193 -8.580 7.077 237 HA CYS 30 HA CYS 30 -0.276 -8.318 6.743 238 HB2 CYS 30 2HB CYS 30 -1.745 -10.053 8.087 239 HB3 CYS 30 1HB CYS 30 -1.859 -10.867 6.526 240 H TRP 31 H TRP 31 0.530 -7.986 4.706 241 HA TRP 31 HA TRP 31 -1.098 -8.809 2.356 242 HB2 TRP 31 2HB TRP 31 1.453 -7.505 1.807 243 HB3 TRP 31 1HB TRP 31 -0.169 -7.003 1.353 244 HD1 TRP 31 HD TRP 31 -1.592 -5.944 3.622 245 HE1 TRP 31 1HE TRP 31 -0.716 -4.147 5.244 246 HE3 TRP 31 3HE TRP 31 3.385 -6.490 2.841 247 HZ2 TRP 31 2HZ TRP 31 1.823 -3.078 6.097 248 HZ3 TRP 31 3HZ TRP 31 5.032 -5.086 4.065 249 HH2 TRP 31 HH TRP 31 4.253 -3.385 5.694 250 H LYS 32 H LYS 32 1.725 -9.717 4.133 251 HA LYS 32 HA LYS 32 2.741 -11.396 1.901 252 HB2 LYS 32 2HB LYS 32 3.735 -10.218 4.443 253 HB3 LYS 32 1HB LYS 32 4.442 -11.766 3.976 254 HG2 LYS 32 2HG LYS 32 4.182 -9.621 1.901 255 HG3 LYS 32 1HG LYS 32 5.482 -9.501 3.086 256 HD2 LYS 32 2HD LYS 32 6.487 -11.496 2.379 257 HD3 LYS 32 1HD LYS 32 5.006 -12.088 1.628 258 HE2 LYS 32 2HE LYS 32 5.607 -11.170 -0.351 259 HE3 LYS 32 1HE LYS 32 5.790 -9.578 0.412 260 HZ1 LYS 32 3HZ LYS 32 7.785 -11.704 0.058 261 HZ2 LYS 32 1HZ LYS 32 7.902 -10.701 1.421 262 HZ3 LYS 32 2HZ LYS 32 7.954 -10.024 -0.137 263 H CYS 33 H CYS 33 0.218 -11.908 3.660 264 HA CYS 33 HA CYS 33 0.902 -14.760 4.222 265 HB2 CYS 33 2HB CYS 33 1.240 -13.325 6.263 266 HB3 CYS 33 1HB CYS 33 -0.473 -12.912 6.192 267 H GLY 34 H GLY 34 -1.846 -12.510 4.763 268 HA2 GLY 34 2HA GLY 34 -3.702 -12.800 2.984 269 HA3 GLY 34 1HA GLY 34 -3.586 -14.513 3.387 270 H LYS 35 H LYS 35 -3.366 -11.809 5.667 271 HA LYS 35 HA LYS 35 -5.991 -12.666 6.838 272 HB2 LYS 35 2HB LYS 35 -3.379 -12.046 8.258 273 HB3 LYS 35 1HB LYS 35 -4.898 -12.457 9.055 274 HG2 LYS 35 2HG LYS 35 -4.527 -14.481 7.156 275 HG3 LYS 35 1HG LYS 35 -2.927 -14.220 7.850 276 HD2 LYS 35 2HD LYS 35 -3.538 -15.266 9.745 277 HD3 LYS 35 1HD LYS 35 -4.893 -14.155 9.951 278 HE2 LYS 35 2HE LYS 35 -5.847 -15.750 7.941 279 HE3 LYS 35 1HE LYS 35 -4.881 -16.909 8.876 280 HZ1 LYS 35 3HZ LYS 35 -7.139 -15.240 9.764 281 HZ2 LYS 35 1HZ LYS 35 -5.956 -15.708 10.884 282 HZ3 LYS 35 2HZ LYS 35 -6.847 -16.889 10.051 283 H THR 36 H THR 36 -6.251 -10.848 8.832 284 HA THR 36 HA THR 36 -5.835 -8.172 7.545 285 HB THR 36 HB THR 36 -8.118 -7.617 8.174 286 HG1 THR 36 1HG THR 36 -8.354 -10.249 9.176 287 HG21 THR 36 3HG2 THR 36 -9.331 -9.127 6.735 288 HG22 THR 36 1HG2 THR 36 -8.130 -10.396 6.974 289 HG23 THR 36 2HG2 THR 36 -7.707 -8.943 6.068 290 H GLY 37 H GLY 37 -7.312 -9.268 10.595 291 HA2 GLY 37 2HA GLY 37 -6.492 -7.243 12.272 292 HA3 GLY 37 1HA GLY 37 -6.611 -8.915 12.826 293 H HIS 38 H HIS 38 -4.554 -10.121 11.421 294 HA HIS 38 HA HIS 38 -2.197 -8.981 12.797 295 HB2 HIS 38 2HB HIS 38 -1.784 -11.188 13.050 296 HB3 HIS 38 1HB HIS 38 -3.250 -11.542 12.141 297 HD1 HIS 38 1HD HIS 38 -2.843 -12.927 10.114 298 HD2 HIS 38 2HD HIS 38 0.486 -10.613 11.091 299 HE1 HIS 38 1HE HIS 38 -1.070 -13.475 8.395 300 H VAL 39 H VAL 39 -0.120 -8.832 11.555 301 HA VAL 39 HA VAL 39 -0.348 -8.498 8.621 302 HB VAL 39 HB VAL 39 -1.103 -6.367 9.313 303 HG11 VAL 39 1HG1 VAL 39 -0.608 -6.637 11.710 304 HG12 VAL 39 2HG1 VAL 39 -0.028 -5.078 11.127 305 HG13 VAL 39 3HG1 VAL 39 1.108 -6.401 11.384 306 HG21 VAL 39 3HG2 VAL 39 0.704 -4.824 8.744 307 HG22 VAL 39 1HG2 VAL 39 0.780 -6.243 7.701 308 HG23 VAL 39 2HG2 VAL 39 1.900 -6.081 9.054 309 H MET 40 H MET 40 1.915 -7.727 7.789 310 HA MET 40 HA MET 40 3.940 -9.524 8.242 311 HB2 MET 40 2HB MET 40 3.618 -7.035 6.997 312 HB3 MET 40 1HB MET 40 5.008 -6.813 8.060 313 HG2 MET 40 2HG MET 40 5.377 -9.344 6.901 314 HG3 MET 40 1HG MET 40 4.827 -8.310 5.582 315 HE1 MET 40 3HE MET 40 7.191 -9.753 7.401 316 HE2 MET 40 1HE MET 40 8.542 -8.693 7.827 317 HE3 MET 40 2HE MET 40 8.440 -9.390 6.211 318 H ALA 41 H ALA 41 3.066 -6.824 10.290 319 HA ALA 41 HA ALA 41 5.106 -6.340 12.065 320 HB1 ALA 41 3HB ALA 41 2.664 -5.647 12.196 321 HB2 ALA 41 1HB ALA 41 3.346 -6.143 13.745 322 HB3 ALA 41 2HB ALA 41 2.317 -7.251 12.841 323 H LYS 42 H LYS 42 3.033 -9.123 11.920 324 HA LYS 42 HA LYS 42 4.764 -10.597 13.849 325 HB2 LYS 42 2HB LYS 42 3.238 -9.713 15.303 326 HB3 LYS 42 1HB LYS 42 2.227 -9.177 13.984 327 HG2 LYS 42 2HG LYS 42 0.912 -10.670 15.214 328 HG3 LYS 42 1HG LYS 42 1.396 -11.516 13.746 329 HD2 LYS 42 2HD LYS 42 3.339 -12.484 15.122 330 HD3 LYS 42 1HD LYS 42 2.496 -11.873 16.544 331 HE2 LYS 42 2HE LYS 42 0.524 -13.222 16.011 332 HE3 LYS 42 1HE LYS 42 1.289 -13.784 14.511 333 HZ1 LYS 42 3HZ LYS 42 3.172 -14.572 15.903 334 HZ2 LYS 42 1HZ LYS 42 1.723 -15.404 16.190 335 HZ3 LYS 42 2HZ LYS 42 2.252 -14.219 17.287 336 H CYS 43 H CYS 43 3.460 -10.643 10.885 337 HA CYS 43 HA CYS 43 1.824 -12.841 10.501 338 HB2 CYS 43 2HB CYS 43 3.836 -11.283 9.086 339 HB3 CYS 43 1HB CYS 43 3.729 -12.934 8.474 340 HA PRO 44 HA PRO 44 4.572 -15.944 12.270 341 HB2 PRO 44 2HB PRO 44 2.607 -17.801 12.664 342 HB3 PRO 44 1HB PRO 44 2.890 -16.446 13.774 343 HG2 PRO 44 2HG PRO 44 0.785 -16.800 11.722 344 HG3 PRO 44 1HG PRO 44 0.718 -15.970 13.283 345 HD2 PRO 44 2HD PRO 44 0.965 -14.727 10.816 346 HD3 PRO 44 1HD PRO 44 1.372 -13.993 12.382 347 H GLU 45 H GLU 45 2.459 -16.070 9.514 348 HA GLU 45 HA GLU 45 2.299 -17.624 7.712 349 HB2 GLU 45 2HB GLU 45 4.636 -17.772 6.690 350 HB3 GLU 45 1HB GLU 45 4.069 -16.145 7.062 351 HG2 GLU 45 2HG GLU 45 5.357 -16.095 9.110 352 HG3 GLU 45 1HG GLU 45 5.804 -17.791 8.920 353 H ARG 46 H ARG 46 1.790 -19.281 9.687 354 HA ARG 46 HA ARG 46 2.004 -21.513 10.432 355 HB2 ARG 46 2HB ARG 46 3.183 -21.317 7.706 356 HB3 ARG 46 1HB ARG 46 3.532 -22.794 8.607 357 HG2 ARG 46 2HG ARG 46 1.300 -23.434 8.691 358 HG3 ARG 46 1HG ARG 46 0.713 -21.777 8.545 359 HD2 ARG 46 2HD ARG 46 1.939 -21.977 6.157 360 HD3 ARG 46 1HD ARG 46 1.527 -23.685 6.403 361 HE ARG 46 HE ARG 46 -0.795 -23.095 6.409 362 HH11 ARG 46 1HH1 ARG 46 -0.796 -20.668 8.063 363 HH12 ARG 46 2HH1 ARG 46 -1.120 -19.409 6.919 364 HH21 ARG 46 1HH2 ARG 46 -0.303 -21.341 4.160 365 HH22 ARG 46 2HH2 ARG 46 -0.838 -19.789 4.711 366 H GLN 47 H GLN 47 3.265 -21.132 12.327 367 HA GLN 47 HA GLN 47 6.234 -21.432 11.988 368 HB2 GLN 47 2HB GLN 47 5.195 -19.273 12.913 369 HB3 GLN 47 1HB GLN 47 4.733 -20.224 14.325 370 HG2 GLN 47 2HG GLN 47 6.908 -19.050 14.642 371 HG3 GLN 47 1HG GLN 47 7.069 -20.804 14.744 372 HE21 GLN 47 1HE2 GLN 47 6.626 -19.069 11.668 373 HE22 GLN 47 2HE2 GLN 47 8.172 -19.414 11.058 374 H ALA 48 H ALA 48 7.275 -22.966 13.368 375 HA ALA 48 HA ALA 48 5.475 -24.629 15.097 376 HB1 ALA 48 3HB ALA 48 5.956 -26.487 13.870 377 HB2 ALA 48 1HB ALA 48 7.651 -26.033 13.689 378 HB3 ALA 48 2HB ALA 48 6.433 -25.343 12.614 379 H GLY 49 H GLY 49 8.825 -23.709 14.296 380 HA2 GLY 49 2HA GLY 49 9.870 -22.979 16.655 381 HA3 GLY 49 1HA GLY 49 9.763 -24.722 16.912
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