NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23854 | 2jyo | 15596 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 1HT ALA 1 19.093 6.753 4.503 2 H2 ALA 1 2HT ALA 1 20.076 6.762 5.884 3 H3 ALA 1 3HT ALA 1 18.450 7.234 5.991 4 HA ALA 1 HA ALA 1 19.372 4.525 5.242 5 HB1 ALA 1 1HB ALA 1 18.271 5.529 7.867 6 HB2 ALA 1 2HB ALA 1 19.926 5.000 7.560 7 HB3 ALA 1 3HB ALA 1 18.598 3.844 7.467 8 H SER 2 H SER 2 17.434 3.007 5.846 9 HA SER 2 HA SER 2 15.169 3.867 4.290 10 HB2 SER 2 2HB SER 2 15.614 1.312 5.857 11 HB3 SER 2 1HB SER 2 14.378 1.577 4.626 12 HG SER 2 HG SER 2 15.854 0.840 3.323 13 H ASN 3 H ASN 3 13.322 4.717 5.089 14 HA ASN 3 HA ASN 3 13.028 5.400 7.802 15 HB2 ASN 3 2HB ASN 3 10.986 5.244 5.576 16 HB3 ASN 3 1HB ASN 3 10.621 5.877 7.178 17 HD21 ASN 3 1HD2 ASN 3 10.157 7.921 6.462 18 HD22 ASN 3 2HD2 ASN 3 11.363 9.008 5.847 19 H PHE 4 H PHE 4 11.301 2.969 5.888 20 HA PHE 4 HA PHE 4 10.989 1.368 8.329 21 HB2 PHE 4 2HB PHE 4 8.735 0.715 7.640 22 HB3 PHE 4 1HB PHE 4 8.829 2.459 7.822 23 HD1 PHE 4 1HD PHE 4 8.881 3.916 5.843 24 HD2 PHE 4 2HD PHE 4 8.278 -0.285 5.550 25 HE1 PHE 4 1HE PHE 4 8.031 4.203 3.559 26 HE2 PHE 4 2HE PHE 4 7.430 -0.004 3.262 27 HZ PHE 4 HZ PHE 4 7.303 2.241 2.264 28 H ASP 5 H ASP 5 10.240 -0.917 7.650 29 HA ASP 5 HA ASP 5 11.427 -1.702 5.080 30 HB2 ASP 5 2HB ASP 5 13.069 -2.245 6.777 31 HB3 ASP 5 1HB ASP 5 11.849 -3.052 7.754 32 H CYS 6 H CYS 6 9.684 -2.222 3.965 33 HA CYS 6 HA CYS 6 7.208 -2.936 4.792 34 HB2 CYS 6 2HB CYS 6 6.785 -3.445 2.531 35 HB3 CYS 6 1HB CYS 6 8.027 -2.210 2.519 36 H CYS 7 H CYS 7 6.010 -4.863 4.623 37 HA CYS 7 HA CYS 7 6.872 -7.037 6.062 38 HB2 CYS 7 2HB CYS 7 4.511 -6.351 5.439 39 HB3 CYS 7 1HB CYS 7 4.776 -7.192 3.913 40 H LEU 8 H LEU 8 8.317 -8.552 5.662 41 HA LEU 8 HA LEU 8 9.288 -8.985 2.972 42 HB2 LEU 8 2HB LEU 8 10.122 -10.266 5.571 43 HB3 LEU 8 1HB LEU 8 10.972 -10.392 4.044 44 HG LEU 8 HG LEU 8 10.559 -7.829 5.576 45 HD11 LEU 8 1HD1 LEU 8 12.062 -9.316 6.761 46 HD12 LEU 8 2HD1 LEU 8 12.960 -7.977 6.046 47 HD13 LEU 8 3HD1 LEU 8 12.999 -9.570 5.290 48 HD21 LEU 8 3HD2 LEU 8 10.719 -7.437 3.199 49 HD22 LEU 8 1HD2 LEU 8 12.159 -8.450 3.100 50 HD23 LEU 8 2HD2 LEU 8 12.212 -6.928 3.991 51 H GLY 9 H GLY 9 6.992 -10.375 5.012 52 HA2 GLY 9 2HA GLY 9 6.943 -12.819 3.361 53 HA3 GLY 9 1HA GLY 9 6.515 -12.816 5.066 54 H TYR 10 H TYR 10 5.327 -12.649 1.957 55 HA TYR 10 HA TYR 10 3.149 -10.821 2.442 56 HB2 TYR 10 2HB TYR 10 3.568 -12.687 0.101 57 HB3 TYR 10 1HB TYR 10 2.457 -11.331 0.175 58 HD1 TYR 10 1HD TYR 10 6.082 -12.132 0.375 59 HD2 TYR 10 2HD TYR 10 3.136 -9.235 -0.691 60 HE1 TYR 10 1HE TYR 10 7.824 -10.737 -0.646 61 HE2 TYR 10 2HE TYR 10 4.880 -7.842 -1.703 62 HH TYR 10 HH TYR 10 7.197 -7.504 -1.729 63 H THR 11 H THR 11 1.042 -11.982 1.186 64 HA THR 11 HA THR 11 0.340 -14.317 2.842 65 HB THR 11 HB THR 11 -0.706 -12.152 3.594 66 HG1 THR 11 1HG THR 11 -1.772 -14.460 3.521 67 HG21 THR 11 3HG2 THR 11 -2.192 -12.339 0.975 68 HG22 THR 11 1HG2 THR 11 -0.954 -11.144 1.370 69 HG23 THR 11 2HG2 THR 11 -2.475 -11.163 2.260 70 H ASP 12 H ASP 12 -1.623 -15.514 1.865 71 HA ASP 12 HA ASP 12 -1.809 -15.151 -1.047 72 HB2 ASP 12 2HB ASP 12 -0.330 -17.092 -0.614 73 HB3 ASP 12 1HB ASP 12 -1.628 -17.850 0.305 74 H ARG 13 H ARG 13 -3.693 -13.970 -0.367 75 HA ARG 13 HA ARG 13 -5.990 -15.775 -0.124 76 HB2 ARG 13 2HB ARG 13 -5.633 -13.120 1.278 77 HB3 ARG 13 1HB ARG 13 -7.159 -13.994 1.181 78 HG2 ARG 13 2HG ARG 13 -6.119 -15.906 2.353 79 HG3 ARG 13 1HG ARG 13 -4.628 -14.978 2.500 80 HD2 ARG 13 2HD ARG 13 -5.672 -13.378 3.920 81 HD3 ARG 13 1HD ARG 13 -7.271 -14.054 3.601 82 HE ARG 13 HE ARG 13 -5.951 -16.158 4.642 83 HH11 ARG 13 1HH1 ARG 13 -6.250 -12.847 5.761 84 HH12 ARG 13 2HH1 ARG 13 -6.181 -13.282 7.438 85 HH21 ARG 13 1HH2 ARG 13 -5.883 -16.714 6.836 86 HH22 ARG 13 2HH2 ARG 13 -6.016 -15.475 8.055 87 H ILE 14 H ILE 14 -8.054 -14.535 -0.723 88 HA ILE 14 HA ILE 14 -7.476 -12.366 -2.638 89 HB ILE 14 HB ILE 14 -9.883 -14.190 -2.574 90 HG12 ILE 14 2HG1 ILE 14 -7.537 -14.928 -3.566 91 HG13 ILE 14 1HG1 ILE 14 -9.047 -15.347 -4.371 92 HG21 ILE 14 1HG2 ILE 14 -10.560 -11.986 -3.241 93 HG22 ILE 14 2HG2 ILE 14 -10.527 -13.023 -4.670 94 HG23 ILE 14 3HG2 ILE 14 -9.217 -11.877 -4.379 95 HD11 ILE 14 3HD1 ILE 14 -7.224 -13.054 -5.063 96 HD12 ILE 14 1HD1 ILE 14 -8.780 -13.391 -5.828 97 HD13 ILE 14 2HD1 ILE 14 -7.453 -14.546 -5.980 98 H LEU 15 H LEU 15 -7.401 -10.905 -0.846 99 HA LEU 15 HA LEU 15 -9.755 -10.550 0.786 100 HB2 LEU 15 2HB LEU 15 -7.233 -8.914 0.473 101 HB3 LEU 15 1HB LEU 15 -8.555 -8.433 1.525 102 HG LEU 15 HG LEU 15 -7.061 -9.421 2.986 103 HD11 LEU 15 1HD1 LEU 15 -7.990 -11.587 3.659 104 HD12 LEU 15 2HD1 LEU 15 -8.881 -11.664 2.140 105 HD13 LEU 15 3HD1 LEU 15 -9.245 -10.396 3.310 106 HD21 LEU 15 3HD2 LEU 15 -6.548 -11.522 0.890 107 HD22 LEU 15 1HD2 LEU 15 -5.846 -11.519 2.511 108 HD23 LEU 15 2HD2 LEU 15 -5.466 -10.218 1.380 109 H HIS 16 H HIS 16 -10.922 -8.442 0.792 110 HA HIS 16 HA HIS 16 -11.109 -7.380 -1.948 111 HB2 HIS 16 2HB HIS 16 -13.419 -8.189 -0.178 112 HB3 HIS 16 1HB HIS 16 -13.562 -7.411 -1.742 113 HD1 HIS 16 1HD HIS 16 -14.979 -9.927 -1.378 114 HD2 HIS 16 2HD HIS 16 -11.015 -9.842 -2.613 115 HE1 HIS 16 1HE HIS 16 -14.606 -12.075 -2.523 116 HE2 HIS 16 2HE HIS 16 -12.275 -11.974 -3.451 117 HA PRO 17 HA PRO 17 -12.093 -3.344 -0.081 118 HB2 PRO 17 2HB PRO 17 -14.759 -3.534 -1.377 119 HB3 PRO 17 1HB PRO 17 -13.562 -2.240 -1.470 120 HG2 PRO 17 2HG PRO 17 -14.001 -3.925 -3.514 121 HG3 PRO 17 1HG PRO 17 -12.391 -3.269 -3.170 122 HD2 PRO 17 2HD PRO 17 -13.473 -6.007 -2.676 123 HD3 PRO 17 1HD PRO 17 -11.815 -5.484 -3.048 124 H LYS 18 H LYS 18 -14.235 -6.053 -0.171 125 HA LYS 18 HA LYS 18 -16.147 -5.663 1.740 126 HB2 LYS 18 2HB LYS 18 -14.521 -8.125 1.083 127 HB3 LYS 18 1HB LYS 18 -15.910 -8.180 2.144 128 HG2 LYS 18 2HG LYS 18 -17.255 -7.261 0.212 129 HG3 LYS 18 1HG LYS 18 -15.841 -7.568 -0.792 130 HD2 LYS 18 2HD LYS 18 -15.904 -9.912 -0.231 131 HD3 LYS 18 1HD LYS 18 -17.220 -9.641 0.908 132 HE2 LYS 18 2HE LYS 18 -17.332 -9.281 -2.082 133 HE3 LYS 18 1HE LYS 18 -18.061 -10.589 -1.152 134 HZ1 LYS 18 3HZ LYS 18 -19.792 -9.098 -1.554 135 HZ2 LYS 18 1HZ LYS 18 -18.837 -7.738 -1.220 136 HZ3 LYS 18 2HZ LYS 18 -19.322 -8.757 0.042 137 H PHE 19 H PHE 19 -12.709 -6.172 2.262 138 HA PHE 19 HA PHE 19 -13.216 -6.256 5.165 139 HB2 PHE 19 2HB PHE 19 -11.093 -7.745 3.615 140 HB3 PHE 19 1HB PHE 19 -11.202 -7.689 5.368 141 HD1 PHE 19 2HD PHE 19 -12.833 -8.918 2.303 142 HD2 PHE 19 1HD PHE 19 -12.730 -9.046 6.553 143 HE1 PHE 19 2HE PHE 19 -14.309 -10.887 2.271 144 HE2 PHE 19 1HE PHE 19 -14.194 -11.019 6.538 145 HZ PHE 19 HZ PHE 19 -14.988 -11.944 4.396 146 H ILE 20 H ILE 20 -12.028 -4.301 2.836 147 HA ILE 20 HA ILE 20 -9.630 -3.550 4.361 148 HB ILE 20 HB ILE 20 -10.197 -3.581 1.488 149 HG12 ILE 20 2HG1 ILE 20 -7.675 -3.889 1.595 150 HG13 ILE 20 1HG1 ILE 20 -7.841 -3.893 3.331 151 HG21 ILE 20 1HG2 ILE 20 -8.615 -1.796 0.972 152 HG22 ILE 20 2HG2 ILE 20 -8.480 -1.404 2.686 153 HG23 ILE 20 3HG2 ILE 20 -10.010 -1.155 1.840 154 HD11 ILE 20 3HD1 ILE 20 -9.152 -5.834 1.439 155 HD12 ILE 20 1HD1 ILE 20 -9.269 -5.847 3.199 156 HD13 ILE 20 2HD1 ILE 20 -7.717 -6.143 2.418 157 H VAL 21 H VAL 21 -9.531 -1.702 5.397 158 HA VAL 21 HA VAL 21 -11.385 0.453 4.622 159 HB VAL 21 HB VAL 21 -11.420 1.206 6.971 160 HG11 VAL 21 1HG1 VAL 21 -13.216 -0.233 6.143 161 HG12 VAL 21 2HG1 VAL 21 -12.892 -0.525 7.851 162 HG13 VAL 21 3HG1 VAL 21 -12.301 -1.658 6.638 163 HG21 VAL 21 3HG2 VAL 21 -10.597 -0.270 8.752 164 HG22 VAL 21 1HG2 VAL 21 -9.290 0.297 7.712 165 HG23 VAL 21 2HG2 VAL 21 -9.911 -1.343 7.534 166 H GLY 22 H GLY 22 -8.236 -0.518 4.738 167 HA2 GLY 22 2HA GLY 22 -7.283 2.210 4.462 168 HA3 GLY 22 1HA GLY 22 -6.614 1.305 5.815 169 H PHE 23 H PHE 23 -5.001 2.268 3.756 170 HA PHE 23 HA PHE 23 -3.817 -0.174 2.732 171 HB2 PHE 23 2HB PHE 23 -5.176 -0.049 0.938 172 HB3 PHE 23 1HB PHE 23 -5.458 1.676 1.117 173 HD1 PHE 23 1HD PHE 23 -3.200 -0.882 -0.171 174 HD2 PHE 23 2HD PHE 23 -4.125 3.244 0.073 175 HE1 PHE 23 1HE PHE 23 -1.593 -0.428 -1.974 176 HE2 PHE 23 2HE PHE 23 -2.529 3.714 -1.749 177 HZ PHE 23 HZ PHE 23 -1.268 1.852 -2.735 178 H THR 24 H THR 24 -1.718 0.024 2.631 179 HA THR 24 HA THR 24 -0.480 2.669 2.363 180 HB THR 24 HB THR 24 0.377 0.563 4.368 181 HG1 THR 24 1HG THR 24 -0.617 3.178 4.895 182 HG21 THR 24 3HG2 THR 24 1.473 3.326 3.811 183 HG22 THR 24 1HG2 THR 24 2.278 1.794 3.468 184 HG23 THR 24 2HG2 THR 24 1.970 2.273 5.136 185 H ARG 25 H ARG 25 0.929 2.594 0.670 186 HA ARG 25 HA ARG 25 1.605 -0.055 -0.373 187 HB2 ARG 25 2HB ARG 25 2.125 1.032 -2.447 188 HB3 ARG 25 1HB ARG 25 0.590 1.671 -1.872 189 HG2 ARG 25 2HG ARG 25 1.876 3.635 -0.952 190 HG3 ARG 25 1HG ARG 25 3.286 3.012 -1.812 191 HD2 ARG 25 2HD ARG 25 2.385 4.583 -3.280 192 HD3 ARG 25 1HD ARG 25 1.783 3.043 -3.893 193 HE ARG 25 HE ARG 25 0.099 4.644 -2.097 194 HH11 ARG 25 1HH1 ARG 25 0.700 3.301 -5.279 195 HH12 ARG 25 2HH1 ARG 25 -0.909 3.632 -5.845 196 HH21 ARG 25 1HH2 ARG 25 -1.988 5.108 -2.853 197 HH22 ARG 25 2HH2 ARG 25 -2.445 4.641 -4.468 198 H GLN 26 H GLN 26 3.651 -0.845 -0.473 199 HA GLN 26 HA GLN 26 5.803 0.892 0.536 200 HB2 GLN 26 2HB GLN 26 5.338 -2.059 0.966 201 HB3 GLN 26 1HB GLN 26 6.833 -1.235 1.392 202 HG2 GLN 26 2HG GLN 26 5.822 0.002 3.067 203 HG3 GLN 26 1HG GLN 26 4.199 -0.314 2.439 204 HE21 GLN 26 1HE2 GLN 26 4.749 -3.130 1.998 205 HE22 GLN 26 2HE2 GLN 26 4.786 -3.866 3.560 206 H LEU 27 H LEU 27 7.308 1.290 -0.878 207 HA LEU 27 HA LEU 27 7.614 -0.466 -3.211 208 HB2 LEU 27 2HB LEU 27 8.291 2.416 -2.692 209 HB3 LEU 27 1HB LEU 27 8.995 1.553 -4.041 210 HG LEU 27 HG LEU 27 6.660 1.111 -4.869 211 HD11 LEU 27 1HD1 LEU 27 5.931 3.143 -2.765 212 HD12 LEU 27 2HD1 LEU 27 5.452 1.446 -2.778 213 HD13 LEU 27 3HD1 LEU 27 4.862 2.537 -4.031 214 HD21 LEU 27 3HD2 LEU 27 7.493 3.997 -4.587 215 HD22 LEU 27 1HD2 LEU 27 6.386 3.352 -5.798 216 HD23 LEU 27 2HD2 LEU 27 8.082 2.867 -5.806 217 H ALA 28 H ALA 28 9.846 -0.604 -4.096 218 HA ALA 28 HA ALA 28 11.639 -1.453 -1.960 219 HB1 ALA 28 1HB ALA 28 11.757 -1.934 -4.933 220 HB2 ALA 28 2HB ALA 28 11.068 -3.036 -3.740 221 HB3 ALA 28 3HB ALA 28 12.796 -2.680 -3.720 222 H ASN 29 H ASN 29 11.218 1.415 -3.029 223 HA ASN 29 HA ASN 29 14.080 2.006 -3.179 224 HB2 ASN 29 2HB ASN 29 13.727 3.648 -4.971 225 HB3 ASN 29 1HB ASN 29 13.314 2.020 -5.492 226 HD21 ASN 29 1HD2 ASN 29 11.183 1.512 -5.950 227 HD22 ASN 29 2HD2 ASN 29 9.963 2.730 -6.131 228 H GLU 30 H GLU 30 11.278 2.508 -1.579 229 HA GLU 30 HA GLU 30 11.880 5.306 -0.957 230 HB2 GLU 30 2HB GLU 30 9.741 5.404 0.160 231 HB3 GLU 30 1HB GLU 30 9.524 4.734 -1.452 232 HG2 GLU 30 2HG GLU 30 9.403 2.492 -0.514 233 HG3 GLU 30 1HG GLU 30 9.658 3.148 1.102 234 H GLY 31 H GLY 31 12.213 2.134 0.249 235 HA2 GLY 31 2HA GLY 31 13.860 2.844 2.388 236 HA3 GLY 31 1HA GLY 31 12.235 2.611 3.020 237 H CYS 32 H CYS 32 11.215 0.555 1.754 238 HA CYS 32 HA CYS 32 12.631 -1.686 2.745 239 HB2 CYS 32 2HB CYS 32 10.096 -1.434 2.394 240 HB3 CYS 32 1HB CYS 32 10.421 -1.827 0.712 241 H ASP 33 H ASP 33 13.494 -3.467 1.497 242 HA ASP 33 HA ASP 33 14.713 -2.620 -1.009 243 HB2 ASP 33 2HB ASP 33 16.085 -3.798 0.669 244 HB3 ASP 33 1HB ASP 33 15.032 -5.201 0.544 245 H ILE 34 H ILE 34 12.072 -4.446 0.122 246 HA ILE 34 HA ILE 34 11.576 -5.369 -2.621 247 HB ILE 34 HB ILE 34 10.457 -7.277 -1.888 248 HG12 ILE 34 2HG1 ILE 34 10.377 -6.143 0.916 249 HG13 ILE 34 1HG1 ILE 34 9.019 -6.152 -0.207 250 HG21 ILE 34 1HG2 ILE 34 12.651 -6.802 0.131 251 HG22 ILE 34 2HG2 ILE 34 12.847 -7.466 -1.493 252 HG23 ILE 34 3HG2 ILE 34 11.958 -8.375 -0.271 253 HD11 ILE 34 3HD1 ILE 34 9.113 -8.611 -0.230 254 HD12 ILE 34 1HD1 ILE 34 8.788 -7.939 1.367 255 HD13 ILE 34 2HD1 ILE 34 10.397 -8.547 0.977 256 H ASN 35 H ASN 35 8.938 -5.741 -2.713 257 HA ASN 35 HA ASN 35 7.757 -3.278 -1.617 258 HB2 ASN 35 2HB ASN 35 6.508 -3.022 -3.792 259 HB3 ASN 35 1HB ASN 35 8.236 -2.717 -3.890 260 HD21 ASN 35 1HD2 ASN 35 9.556 -4.197 -4.979 261 HD22 ASN 35 2HD2 ASN 35 8.903 -5.361 -6.080 262 H ALA 36 H ALA 36 5.914 -3.549 -0.632 263 HA ALA 36 HA ALA 36 4.181 -5.801 -1.315 264 HB1 ALA 36 1HB ALA 36 5.088 -5.192 1.502 265 HB2 ALA 36 2HB ALA 36 5.539 -6.606 0.550 266 HB3 ALA 36 3HB ALA 36 3.863 -6.377 1.046 267 H ILE 37 H ILE 37 2.094 -5.199 -1.345 268 HA ILE 37 HA ILE 37 1.348 -2.521 -0.571 269 HB ILE 37 HB ILE 37 -0.287 -4.802 -1.690 270 HG12 ILE 37 2HG1 ILE 37 1.377 -4.003 -3.281 271 HG13 ILE 37 1HG1 ILE 37 -0.229 -3.485 -3.789 272 HG21 ILE 37 1HG2 ILE 37 -1.023 -1.925 -1.215 273 HG22 ILE 37 2HG2 ILE 37 -1.739 -3.349 -0.462 274 HG23 ILE 37 3HG2 ILE 37 -1.972 -3.046 -2.186 275 HD11 ILE 37 3HD1 ILE 37 0.207 -1.256 -2.909 276 HD12 ILE 37 1HD1 ILE 37 1.418 -1.725 -4.101 277 HD13 ILE 37 2HD1 ILE 37 1.808 -1.773 -2.381 278 H ILE 38 H ILE 38 0.558 -2.013 1.426 279 HA ILE 38 HA ILE 38 -0.241 -4.227 3.165 280 HB ILE 38 HB ILE 38 0.335 -1.347 3.857 281 HG12 ILE 38 2HG1 ILE 38 2.326 -2.642 3.200 282 HG13 ILE 38 1HG1 ILE 38 2.359 -2.208 4.906 283 HG21 ILE 38 1HG2 ILE 38 0.231 -2.088 6.192 284 HG22 ILE 38 2HG2 ILE 38 -0.288 -3.686 5.657 285 HG23 ILE 38 3HG2 ILE 38 -1.316 -2.280 5.366 286 HD11 ILE 38 3HD1 ILE 38 1.669 -4.456 5.502 287 HD12 ILE 38 1HD1 ILE 38 3.135 -4.484 4.521 288 HD13 ILE 38 2HD1 ILE 38 1.579 -4.893 3.796 289 H PHE 39 H PHE 39 -2.316 -4.699 2.696 290 HA PHE 39 HA PHE 39 -4.295 -2.563 2.641 291 HB2 PHE 39 2HB PHE 39 -4.558 -5.566 2.385 292 HB3 PHE 39 1HB PHE 39 -5.940 -4.481 2.439 293 HD1 PHE 39 2HD PHE 39 -5.002 -2.245 0.730 294 HD2 PHE 39 1HD PHE 39 -4.587 -6.461 0.277 295 HE1 PHE 39 2HE PHE 39 -4.851 -1.962 -1.719 296 HE2 PHE 39 1HE PHE 39 -4.423 -6.190 -2.156 297 HZ PHE 39 HZ PHE 39 -4.543 -3.961 -3.162 298 H HIS 40 H HIS 40 -5.298 -1.852 4.387 299 HA HIS 40 HA HIS 40 -4.816 -3.243 6.914 300 HB2 HIS 40 2HB HIS 40 -6.033 -0.511 6.431 301 HB3 HIS 40 1HB HIS 40 -5.612 -1.186 7.998 302 HD1 HIS 40 1HD HIS 40 -3.516 -0.217 8.870 303 HD2 HIS 40 2HD HIS 40 -3.506 -0.464 4.721 304 HE1 HIS 40 1HE HIS 40 -1.330 0.794 8.122 305 HE2 HIS 40 2HE HIS 40 -1.457 0.839 5.619 306 H THR 41 H THR 41 -6.283 -4.660 7.526 307 HA THR 41 HA THR 41 -8.857 -4.758 6.295 308 HB THR 41 HB THR 41 -9.255 -6.692 7.839 309 HG1 THR 41 1HG THR 41 -6.505 -6.472 8.524 310 HG21 THR 41 3HG2 THR 41 -6.713 -6.740 6.213 311 HG22 THR 41 1HG2 THR 41 -8.343 -7.033 5.606 312 HG23 THR 41 2HG2 THR 41 -7.612 -8.158 6.752 313 H LYS 42 H LYS 42 -10.878 -4.823 7.406 314 HA LYS 42 HA LYS 42 -11.246 -2.806 9.390 315 HB2 LYS 42 2HB LYS 42 -12.910 -3.646 7.607 316 HB3 LYS 42 1HB LYS 42 -13.219 -4.985 8.701 317 HG2 LYS 42 2HG LYS 42 -13.814 -3.292 10.455 318 HG3 LYS 42 1HG LYS 42 -13.715 -2.061 9.201 319 HD2 LYS 42 2HD LYS 42 -16.015 -2.711 9.456 320 HD3 LYS 42 1HD LYS 42 -15.428 -3.307 7.903 321 HE2 LYS 42 2HE LYS 42 -16.711 -5.049 8.912 322 HE3 LYS 42 1HE LYS 42 -15.016 -5.518 8.989 323 HZ1 LYS 42 3HZ LYS 42 -15.084 -4.543 11.332 324 HZ2 LYS 42 1HZ LYS 42 -15.883 -6.016 11.084 325 HZ3 LYS 42 2HZ LYS 42 -16.767 -4.575 11.182 326 H LYS 43 H LYS 43 -9.787 -5.644 9.671 327 HA LYS 43 HA LYS 43 -10.830 -6.219 12.337 328 HB2 LYS 43 2HB LYS 43 -9.297 -7.906 10.374 329 HB3 LYS 43 1HB LYS 43 -9.373 -8.332 12.080 330 HG2 LYS 43 2HG LYS 43 -11.065 -9.583 11.068 331 HG3 LYS 43 1HG LYS 43 -11.904 -8.229 11.827 332 HD2 LYS 43 2HD LYS 43 -11.819 -7.072 9.589 333 HD3 LYS 43 1HD LYS 43 -11.233 -8.593 8.911 334 HE2 LYS 43 2HE LYS 43 -13.875 -8.090 10.268 335 HE3 LYS 43 1HE LYS 43 -13.604 -8.466 8.569 336 HZ1 LYS 43 3HZ LYS 43 -12.678 -10.639 9.326 337 HZ2 LYS 43 1HZ LYS 43 -14.334 -10.435 9.641 338 HZ3 LYS 43 2HZ LYS 43 -13.206 -10.262 10.894 339 H LYS 44 H LYS 44 -8.765 -4.211 11.119 340 HA LYS 44 HA LYS 44 -7.101 -2.968 12.022 341 HB2 LYS 44 2HB LYS 44 -7.469 -4.736 14.443 342 HB3 LYS 44 1HB LYS 44 -6.507 -3.266 14.398 343 HG2 LYS 44 2HG LYS 44 -8.481 -1.947 13.939 344 HG3 LYS 44 1HG LYS 44 -9.465 -3.408 13.876 345 HD2 LYS 44 2HD LYS 44 -8.935 -3.864 16.224 346 HD3 LYS 44 1HD LYS 44 -7.957 -2.394 16.285 347 HE2 LYS 44 2HE LYS 44 -9.939 -1.052 15.805 348 HE3 LYS 44 1HE LYS 44 -10.921 -2.514 15.704 349 HZ1 LYS 44 3HZ LYS 44 -10.447 -2.962 18.026 350 HZ2 LYS 44 1HZ LYS 44 -11.139 -1.422 17.859 351 HZ3 LYS 44 2HZ LYS 44 -9.473 -1.578 18.133 352 H LEU 45 H LEU 45 -6.638 -5.679 10.680 353 HA LEU 45 HA LEU 45 -3.868 -6.068 11.600 354 HB2 LEU 45 2HB LEU 45 -5.701 -7.978 10.157 355 HB3 LEU 45 1HB LEU 45 -4.008 -8.289 10.481 356 HG LEU 45 HG LEU 45 -6.161 -7.916 12.568 357 HD11 LEU 45 1HD1 LEU 45 -5.748 -10.301 13.035 358 HD12 LEU 45 2HD1 LEU 45 -4.654 -10.364 11.653 359 HD13 LEU 45 3HD1 LEU 45 -6.368 -10.034 11.405 360 HD21 LEU 45 3HD2 LEU 45 -3.219 -8.542 12.845 361 HD22 LEU 45 1HD2 LEU 45 -4.400 -8.617 14.153 362 HD23 LEU 45 2HD2 LEU 45 -4.040 -7.073 13.379 363 H SER 46 H SER 46 -2.222 -5.799 10.213 364 HA SER 46 HA SER 46 -2.791 -4.616 7.644 365 HB2 SER 46 2HB SER 46 -0.203 -4.487 7.621 366 HB3 SER 46 1HB SER 46 -1.076 -3.495 8.792 367 HG SER 46 HG SER 46 0.787 -4.775 9.593 368 H VAL 47 H VAL 47 -3.084 -5.824 5.910 369 HA VAL 47 HA VAL 47 -2.033 -8.533 5.804 370 HB VAL 47 HB VAL 47 -3.824 -7.003 3.911 371 HG11 VAL 47 1HG1 VAL 47 -2.544 -8.644 2.657 372 HG12 VAL 47 2HG1 VAL 47 -4.223 -9.164 2.808 373 HG13 VAL 47 3HG1 VAL 47 -2.979 -9.898 3.817 374 HG21 VAL 47 3HG2 VAL 47 -5.558 -8.540 4.731 375 HG22 VAL 47 1HG2 VAL 47 -4.891 -7.530 6.014 376 HG23 VAL 47 2HG2 VAL 47 -4.396 -9.215 5.872 377 H CYS 48 H CYS 48 -0.215 -9.081 4.764 378 HA CYS 48 HA CYS 48 1.218 -7.059 3.279 379 HB2 CYS 48 2HB CYS 48 2.042 -9.934 3.679 380 HB3 CYS 48 1HB CYS 48 3.070 -8.565 3.272 381 H ALA 49 H ALA 49 -0.211 -6.782 1.581 382 HA ALA 49 HA ALA 49 -1.159 -8.932 -0.030 383 HB1 ALA 49 1HB ALA 49 -1.121 -5.979 -0.648 384 HB2 ALA 49 2HB ALA 49 -2.359 -6.780 0.315 385 HB3 ALA 49 3HB ALA 49 -2.152 -7.205 -1.385 386 H ASN 50 H ASN 50 -0.373 -9.730 -1.888 387 HA ASN 50 HA ASN 50 2.380 -9.117 -2.539 388 HB2 ASN 50 2HB ASN 50 0.484 -11.004 -3.953 389 HB3 ASN 50 1HB ASN 50 2.220 -10.928 -4.178 390 HD21 ASN 50 1HD2 ASN 50 0.597 -10.793 -1.042 391 HD22 ASN 50 2HD2 ASN 50 1.135 -12.355 -0.522 392 HA PRO 51 HA PRO 51 1.103 -6.204 -5.697 393 HB2 PRO 51 2HB PRO 51 3.953 -6.369 -6.456 394 HB3 PRO 51 1HB PRO 51 2.985 -4.955 -6.027 395 HG2 PRO 51 2HG PRO 51 4.827 -5.921 -4.348 396 HG3 PRO 51 1HG PRO 51 3.286 -5.274 -3.752 397 HD2 PRO 51 2HD PRO 51 4.122 -8.130 -4.129 398 HD3 PRO 51 1HD PRO 51 3.230 -7.390 -2.776 399 H LYS 52 H LYS 52 2.007 -9.333 -5.896 400 HA LYS 52 HA LYS 52 2.600 -9.580 -8.715 401 HB2 LYS 52 2HB LYS 52 2.092 -11.675 -6.594 402 HB3 LYS 52 1HB LYS 52 2.777 -11.966 -8.187 403 HG2 LYS 52 2HG LYS 52 4.780 -10.825 -7.636 404 HG3 LYS 52 1HG LYS 52 4.072 -10.168 -6.157 405 HD2 LYS 52 2HD LYS 52 5.566 -12.027 -5.638 406 HD3 LYS 52 1HD LYS 52 3.899 -12.427 -5.231 407 HE2 LYS 52 2HE LYS 52 3.709 -13.650 -7.363 408 HE3 LYS 52 1HE LYS 52 5.407 -13.313 -7.688 409 HZ1 LYS 52 3HZ LYS 52 4.349 -14.898 -5.399 410 HZ2 LYS 52 1HZ LYS 52 5.990 -14.549 -5.679 411 HZ3 LYS 52 2HZ LYS 52 5.128 -15.513 -6.774 412 H GLN 53 H GLN 53 -0.193 -9.681 -6.708 413 HA GLN 53 HA GLN 53 -1.600 -11.497 -8.537 414 HB2 GLN 53 2HB GLN 53 -3.226 -11.543 -6.474 415 HB3 GLN 53 1HB GLN 53 -1.732 -12.477 -6.456 416 HG2 GLN 53 2HG GLN 53 -0.662 -10.512 -5.314 417 HG3 GLN 53 1HG GLN 53 -2.276 -9.843 -5.123 418 HE21 GLN 53 1HE2 GLN 53 -2.090 -9.884 -2.911 419 HE22 GLN 53 2HE2 GLN 53 -2.193 -11.360 -2.009 420 H THR 54 H THR 54 -3.692 -11.047 -9.250 421 HA THR 54 HA THR 54 -3.944 -8.349 -10.071 422 HB THR 54 HB THR 54 -6.191 -9.362 -11.020 423 HG1 THR 54 1HG THR 54 -6.250 -11.528 -11.015 424 HG21 THR 54 3HG2 THR 54 -4.305 -8.648 -12.383 425 HG22 THR 54 1HG2 THR 54 -4.915 -10.202 -12.949 426 HG23 THR 54 2HG2 THR 54 -3.436 -10.135 -11.992 427 H TRP 55 H TRP 55 -5.677 -10.288 -7.660 428 HA TRP 55 HA TRP 55 -7.802 -8.472 -7.314 429 HB2 TRP 55 2HB TRP 55 -8.334 -9.579 -5.294 430 HB3 TRP 55 1HB TRP 55 -7.769 -10.798 -6.420 431 HD1 TRP 55 HD TRP 55 -5.493 -11.962 -5.839 432 HE1 TRP 55 1HE TRP 55 -4.138 -12.146 -3.718 433 HE3 TRP 55 3HE TRP 55 -7.683 -8.293 -3.354 434 HZ2 TRP 55 2HZ TRP 55 -4.012 -10.810 -1.203 435 HZ3 TRP 55 3HZ TRP 55 -6.939 -7.755 -1.178 436 HH2 TRP 55 HH TRP 55 -5.165 -8.961 -0.057 437 H VAL 56 H VAL 56 -4.585 -8.590 -6.050 438 HA VAL 56 HA VAL 56 -4.826 -6.396 -4.271 439 HB VAL 56 HB VAL 56 -2.532 -7.832 -5.555 440 HG11 VAL 56 1HG1 VAL 56 -0.958 -6.392 -4.386 441 HG12 VAL 56 2HG1 VAL 56 -2.283 -5.343 -3.887 442 HG13 VAL 56 3HG1 VAL 56 -1.872 -5.495 -5.595 443 HG21 VAL 56 3HG2 VAL 56 -1.949 -8.249 -3.207 444 HG22 VAL 56 1HG2 VAL 56 -3.566 -8.823 -3.615 445 HG23 VAL 56 2HG2 VAL 56 -3.365 -7.320 -2.715 446 H LYS 57 H LYS 57 -3.675 -6.729 -7.608 447 HA LYS 57 HA LYS 57 -3.031 -4.056 -8.078 448 HB2 LYS 57 2HB LYS 57 -4.141 -6.057 -10.059 449 HB3 LYS 57 1HB LYS 57 -3.284 -4.578 -10.463 450 HG2 LYS 57 2HG LYS 57 -1.258 -5.446 -9.436 451 HG3 LYS 57 1HG LYS 57 -2.111 -6.921 -8.972 452 HD2 LYS 57 2HD LYS 57 -2.602 -7.288 -11.408 453 HD3 LYS 57 1HD LYS 57 -1.521 -5.941 -11.762 454 HE2 LYS 57 2HE LYS 57 -0.736 -8.435 -10.260 455 HE3 LYS 57 1HE LYS 57 -0.446 -8.164 -11.976 456 HZ1 LYS 57 3HZ LYS 57 0.831 -6.133 -11.277 457 HZ2 LYS 57 1HZ LYS 57 1.535 -7.623 -10.864 458 HZ3 LYS 57 2HZ LYS 57 0.736 -6.712 -9.684 459 H TYR 58 H TYR 58 -6.102 -5.781 -8.354 460 HA TYR 58 HA TYR 58 -7.600 -3.719 -9.509 461 HB2 TYR 58 2HB TYR 58 -8.574 -5.829 -9.606 462 HB3 TYR 58 1HB TYR 58 -8.247 -6.171 -7.912 463 HD1 TYR 58 2HD TYR 58 -10.120 -3.512 -9.776 464 HD2 TYR 58 1HD TYR 58 -10.133 -6.418 -6.676 465 HE1 TYR 58 2HE TYR 58 -12.421 -2.880 -9.199 466 HE2 TYR 58 1HE TYR 58 -12.430 -5.810 -6.098 467 HH TYR 58 HH TYR 58 -14.381 -3.861 -8.093 468 H ILE 59 H ILE 59 -7.297 -4.697 -6.091 469 HA ILE 59 HA ILE 59 -8.962 -2.658 -5.103 470 HB ILE 59 HB ILE 59 -6.801 -4.173 -3.634 471 HG12 ILE 59 2HG1 ILE 59 -9.792 -4.604 -3.710 472 HG13 ILE 59 1HG1 ILE 59 -8.641 -5.540 -4.644 473 HG21 ILE 59 1HG2 ILE 59 -9.125 -2.580 -2.553 474 HG22 ILE 59 2HG2 ILE 59 -7.434 -2.086 -2.497 475 HG23 ILE 59 3HG2 ILE 59 -7.966 -3.507 -1.599 476 HD11 ILE 59 3HD1 ILE 59 -7.603 -6.310 -2.566 477 HD12 ILE 59 1HD1 ILE 59 -9.307 -6.750 -2.676 478 HD13 ILE 59 2HD1 ILE 59 -8.808 -5.402 -1.651 479 H VAL 60 H VAL 60 -5.435 -2.788 -5.556 480 HA VAL 60 HA VAL 60 -4.964 -0.298 -4.265 481 HB VAL 60 HB VAL 60 -3.156 -1.974 -4.604 482 HG11 VAL 60 1HG1 VAL 60 -1.986 -2.091 -6.744 483 HG12 VAL 60 2HG1 VAL 60 -3.189 -1.027 -7.473 484 HG13 VAL 60 3HG1 VAL 60 -3.658 -2.630 -6.904 485 HG21 VAL 60 3HG2 VAL 60 -1.381 -0.361 -5.122 486 HG22 VAL 60 1HG2 VAL 60 -2.590 0.307 -4.024 487 HG23 VAL 60 2HG2 VAL 60 -2.592 0.770 -5.726 488 H ARG 61 H ARG 61 -5.952 -1.127 -7.534 489 HA ARG 61 HA ARG 61 -5.423 1.403 -8.710 490 HB2 ARG 61 2HB ARG 61 -7.544 -0.639 -9.395 491 HB3 ARG 61 1HB ARG 61 -7.221 0.796 -10.352 492 HG2 ARG 61 2HG ARG 61 -5.295 -1.461 -9.838 493 HG3 ARG 61 1HG ARG 61 -6.214 -1.196 -11.316 494 HD2 ARG 61 2HD ARG 61 -3.994 -0.409 -11.684 495 HD3 ARG 61 1HD ARG 61 -5.044 1.001 -11.559 496 HE ARG 61 HE ARG 61 -4.140 0.722 -9.039 497 HH11 ARG 61 1HH1 ARG 61 -2.431 0.663 -12.098 498 HH12 ARG 61 2HH1 ARG 61 -1.042 1.501 -11.473 499 HH21 ARG 61 1HH2 ARG 61 -2.306 1.790 -8.217 500 HH22 ARG 61 2HH2 ARG 61 -0.958 2.127 -9.268 501 H LEU 62 H LEU 62 -8.244 0.056 -7.063 502 HA LEU 62 HA LEU 62 -9.843 2.385 -7.321 503 HB2 LEU 62 2HB LEU 62 -9.999 0.083 -5.378 504 HB3 LEU 62 1HB LEU 62 -11.213 1.340 -5.509 505 HG LEU 62 HG LEU 62 -10.479 -0.686 -7.621 506 HD11 LEU 62 1HD1 LEU 62 -12.988 -0.273 -6.004 507 HD12 LEU 62 2HD1 LEU 62 -11.813 -1.569 -5.781 508 HD13 LEU 62 3HD1 LEU 62 -12.758 -1.480 -7.268 509 HD21 LEU 62 3HD2 LEU 62 -12.313 0.289 -8.925 510 HD22 LEU 62 1HD2 LEU 62 -11.014 1.451 -8.659 511 HD23 LEU 62 2HD2 LEU 62 -12.497 1.554 -7.710 512 H LEU 63 H LEU 63 -7.580 1.238 -4.897 513 HA LEU 63 HA LEU 63 -8.191 3.223 -2.965 514 HB2 LEU 63 2HB LEU 63 -5.895 1.340 -3.303 515 HB3 LEU 63 1HB LEU 63 -6.004 2.474 -1.963 516 HG LEU 63 HG LEU 63 -8.138 0.441 -2.604 517 HD11 LEU 63 1HD1 LEU 63 -6.122 -0.731 -2.022 518 HD12 LEU 63 2HD1 LEU 63 -7.274 -0.816 -0.690 519 HD13 LEU 63 3HD1 LEU 63 -5.904 0.292 -0.603 520 HD21 LEU 63 3HD2 LEU 63 -8.911 2.380 -1.338 521 HD22 LEU 63 1HD2 LEU 63 -7.638 2.116 -0.149 522 HD23 LEU 63 2HD2 LEU 63 -8.921 0.922 -0.347 523 H SER 64 H SER 64 -6.255 3.234 -5.804 524 HA SER 64 HA SER 64 -4.943 5.721 -5.021 525 HB2 SER 64 2HB SER 64 -4.630 3.827 -7.323 526 HB3 SER 64 1HB SER 64 -4.089 5.494 -7.504 527 HG SER 64 HG SER 64 -2.458 5.114 -6.248 528 H LYS 65 H LYS 65 -7.832 4.745 -6.425 529 HA LYS 65 HA LYS 65 -8.131 7.350 -7.760 530 HB2 LYS 65 2HB LYS 65 -9.014 4.626 -8.568 531 HB3 LYS 65 1HB LYS 65 -10.033 5.989 -8.997 532 HG2 LYS 65 2HG LYS 65 -8.015 7.019 -10.084 533 HG3 LYS 65 1HG LYS 65 -7.191 5.477 -9.822 534 HD2 LYS 65 2HD LYS 65 -8.757 4.315 -11.179 535 HD3 LYS 65 1HD LYS 65 -9.827 5.716 -11.254 536 HE2 LYS 65 2HE LYS 65 -8.083 6.942 -12.492 537 HE3 LYS 65 1HE LYS 65 -7.072 5.500 -12.468 538 HZ1 LYS 65 3HZ LYS 65 -8.344 5.817 -14.559 539 HZ2 LYS 65 1HZ LYS 65 -9.779 5.592 -13.688 540 HZ3 LYS 65 2HZ LYS 65 -8.648 4.333 -13.799 541 H LYS 66 H LYS 66 -8.668 7.192 -5.060 542 HA LYS 66 HA LYS 66 -11.492 6.851 -4.691 543 HB2 LYS 66 2HB LYS 66 -9.343 8.063 -2.979 544 HB3 LYS 66 1HB LYS 66 -11.039 8.177 -2.535 545 HG2 LYS 66 2HG LYS 66 -11.077 5.631 -2.734 546 HG3 LYS 66 1HG LYS 66 -9.316 5.731 -2.746 547 HD2 LYS 66 2HD LYS 66 -10.128 5.324 -0.487 548 HD3 LYS 66 1HD LYS 66 -9.384 6.922 -0.590 549 HE2 LYS 66 2HE LYS 66 -11.600 7.937 -0.806 550 HE3 LYS 66 1HE LYS 66 -12.346 6.342 -0.708 551 HZ1 LYS 66 3HZ LYS 66 -12.404 7.529 1.417 552 HZ2 LYS 66 1HZ LYS 66 -10.710 7.609 1.428 553 HZ3 LYS 66 2HZ LYS 66 -11.492 6.104 1.530 554 H VAL 67 H VAL 67 -12.102 8.096 -6.554 555 HA VAL 67 HA VAL 67 -11.903 10.985 -6.342 556 HB VAL 67 HB VAL 67 -11.759 10.042 -8.577 557 HG11 VAL 67 1HG1 VAL 67 -13.691 8.922 -9.624 558 HG12 VAL 67 2HG1 VAL 67 -14.492 8.890 -8.051 559 HG13 VAL 67 3HG1 VAL 67 -12.989 8.000 -8.294 560 HG21 VAL 67 3HG2 VAL 67 -12.748 12.234 -8.406 561 HG22 VAL 67 1HG2 VAL 67 -14.343 11.532 -8.134 562 HG23 VAL 67 2HG2 VAL 67 -13.542 11.326 -9.692 563 H LYS 68 H LYS 68 -13.489 12.310 -5.624 564 HA LYS 68 HA LYS 68 -15.538 11.042 -4.041 565 HB2 LYS 68 2HB LYS 68 -14.229 13.006 -3.251 566 HB3 LYS 68 1HB LYS 68 -15.037 13.990 -4.465 567 HG2 LYS 68 2HG LYS 68 -16.040 14.245 -2.244 568 HG3 LYS 68 1HG LYS 68 -17.179 13.576 -3.414 569 HD2 LYS 68 2HD LYS 68 -16.779 11.337 -2.557 570 HD3 LYS 68 1HD LYS 68 -15.595 11.971 -1.414 571 HE2 LYS 68 2HE LYS 68 -17.325 13.231 -0.274 572 HE3 LYS 68 1HE LYS 68 -18.513 12.727 -1.477 573 HZ1 LYS 68 3HZ LYS 68 -18.447 10.527 -0.721 574 HZ2 LYS 68 1HZ LYS 68 -18.490 11.463 0.693 575 HZ3 LYS 68 2HZ LYS 68 -17.029 10.772 0.178 576 H ASN 69 H ASN 69 -16.855 10.095 -5.621 577 HA ASN 69 HA ASN 69 -18.470 11.926 -7.230 578 HB2 ASN 69 2HB ASN 69 -17.701 9.819 -8.281 579 HB3 ASN 69 1HB ASN 69 -18.556 8.901 -7.046 580 HD21 ASN 69 1HD2 ASN 69 -19.974 7.871 -8.350 581 HD22 ASN 69 2HD2 ASN 69 -21.206 8.682 -9.260 582 H MET 70 H MET 70 -18.728 9.601 -4.599 583 HA MET 70 HA MET 70 -21.368 10.705 -3.937 584 HB2 MET 70 2HB MET 70 -21.578 8.418 -4.828 585 HB3 MET 70 1HB MET 70 -20.446 7.840 -3.612 586 HG2 MET 70 2HG MET 70 -21.995 8.359 -1.850 587 HG3 MET 70 1HG MET 70 -23.099 9.117 -2.996 588 HE1 MET 70 3HE MET 70 -24.557 7.834 -4.740 589 HE2 MET 70 1HE MET 70 -24.378 6.119 -5.096 590 HE3 MET 70 2HE MET 70 -23.062 7.239 -5.461 Start of MODEL 2 1 H1 ALA 1 1HT ALA 1 19.790 4.731 4.426 2 H2 ALA 1 2HT ALA 1 20.011 3.654 5.719 3 H3 ALA 1 3HT ALA 1 20.655 5.221 5.799 4 HA ALA 1 HA ALA 1 18.685 5.027 7.153 5 HB1 ALA 1 1HB ALA 1 17.476 6.947 6.249 6 HB2 ALA 1 2HB ALA 1 18.296 6.740 4.700 7 HB3 ALA 1 3HB ALA 1 19.223 7.179 6.137 8 H SER 2 H SER 2 17.470 3.215 7.271 9 HA SER 2 HA SER 2 15.444 2.859 5.152 10 HB2 SER 2 2HB SER 2 16.292 0.770 7.173 11 HB3 SER 2 1HB SER 2 15.277 0.542 5.744 12 HG SER 2 HG SER 2 17.994 1.373 5.669 13 H ASN 3 H ASN 3 13.701 3.947 5.794 14 HA ASN 3 HA ASN 3 13.025 4.541 8.455 15 HB2 ASN 3 2HB ASN 3 12.158 5.787 6.491 16 HB3 ASN 3 1HB ASN 3 11.176 4.389 6.060 17 HD21 ASN 3 1HD2 ASN 3 11.607 7.019 8.276 18 HD22 ASN 3 2HD2 ASN 3 10.045 6.916 9.016 19 H PHE 4 H PHE 4 11.721 2.121 6.238 20 HA PHE 4 HA PHE 4 10.908 0.513 8.555 21 HB2 PHE 4 2HB PHE 4 8.863 -0.138 7.272 22 HB3 PHE 4 1HB PHE 4 8.901 1.552 7.735 23 HD1 PHE 4 2HD PHE 4 9.582 -0.726 4.916 24 HD2 PHE 4 1HD PHE 4 8.654 3.238 6.135 25 HE1 PHE 4 2HE PHE 4 9.269 -0.092 2.576 26 HE2 PHE 4 1HE PHE 4 8.343 3.891 3.783 27 HZ PHE 4 HZ PHE 4 8.645 2.215 1.996 28 H ASP 5 H ASP 5 10.091 -1.706 7.536 29 HA ASP 5 HA ASP 5 11.780 -2.453 5.272 30 HB2 ASP 5 2HB ASP 5 12.219 -4.650 6.323 31 HB3 ASP 5 1HB ASP 5 12.910 -3.311 7.231 32 H CYS 6 H CYS 6 10.481 -2.894 3.709 33 HA CYS 6 HA CYS 6 7.875 -3.569 3.575 34 HB2 CYS 6 2HB CYS 6 8.356 -4.465 1.394 35 HB3 CYS 6 1HB CYS 6 9.417 -3.101 1.666 36 H CYS 7 H CYS 7 6.721 -5.549 3.376 37 HA CYS 7 HA CYS 7 7.302 -7.405 5.383 38 HB2 CYS 7 2HB CYS 7 5.451 -7.780 3.026 39 HB3 CYS 7 1HB CYS 7 5.388 -8.645 4.558 40 H LEU 8 H LEU 8 8.825 -8.916 5.398 41 HA LEU 8 HA LEU 8 10.108 -9.908 3.075 42 HB2 LEU 8 2HB LEU 8 10.050 -11.081 5.857 43 HB3 LEU 8 1HB LEU 8 11.193 -11.489 4.593 44 HG LEU 8 HG LEU 8 10.951 -8.787 5.921 45 HD11 LEU 8 1HD1 LEU 8 13.028 -10.963 6.187 46 HD12 LEU 8 2HD1 LEU 8 11.869 -10.469 7.424 47 HD13 LEU 8 3HD1 LEU 8 13.133 -9.354 6.903 48 HD21 LEU 8 3HD2 LEU 8 12.966 -9.817 3.927 49 HD22 LEU 8 1HD2 LEU 8 12.991 -8.238 4.713 50 HD23 LEU 8 2HD2 LEU 8 11.692 -8.645 3.590 51 H GLY 9 H GLY 9 7.189 -10.686 4.626 52 HA2 GLY 9 2HA GLY 9 6.838 -12.951 2.797 53 HA3 GLY 9 1HA GLY 9 6.455 -13.161 4.498 54 H TYR 10 H TYR 10 5.548 -11.507 1.540 55 HA TYR 10 HA TYR 10 3.152 -10.428 2.647 56 HB2 TYR 10 2HB TYR 10 2.518 -10.030 0.220 57 HB3 TYR 10 1HB TYR 10 3.941 -9.201 0.822 58 HD1 TYR 10 1HD TYR 10 4.725 -12.579 0.303 59 HD2 TYR 10 2HD TYR 10 4.089 -8.932 -1.775 60 HE1 TYR 10 1HE TYR 10 6.032 -13.450 -1.607 61 HE2 TYR 10 2HE TYR 10 5.389 -9.775 -3.689 62 HH TYR 10 HH TYR 10 7.176 -11.485 -4.094 63 H THR 11 H THR 11 0.964 -11.030 1.771 64 HA THR 11 HA THR 11 0.688 -13.730 2.755 65 HB THR 11 HB THR 11 -0.645 -11.843 3.642 66 HG1 THR 11 1HG THR 11 -1.952 -13.428 4.147 67 HG21 THR 11 3HG2 THR 11 -2.054 -11.966 0.974 68 HG22 THR 11 1HG2 THR 11 -1.028 -10.646 1.534 69 HG23 THR 11 2HG2 THR 11 -2.547 -10.995 2.361 70 H ASP 12 H ASP 12 -0.805 -15.270 1.867 71 HA ASP 12 HA ASP 12 -1.150 -15.105 -1.056 72 HB2 ASP 12 2HB ASP 12 0.503 -16.848 -0.346 73 HB3 ASP 12 1HB ASP 12 -0.763 -17.609 0.608 74 H ARG 13 H ARG 13 -3.108 -14.002 -0.421 75 HA ARG 13 HA ARG 13 -5.272 -15.866 0.285 76 HB2 ARG 13 2HB ARG 13 -4.972 -13.000 1.203 77 HB3 ARG 13 1HB ARG 13 -6.409 -13.981 1.431 78 HG2 ARG 13 2HG ARG 13 -3.708 -14.669 2.576 79 HG3 ARG 13 1HG ARG 13 -4.982 -13.812 3.448 80 HD2 ARG 13 2HD ARG 13 -5.862 -15.769 4.029 81 HD3 ARG 13 1HD ARG 13 -6.165 -16.109 2.327 82 HE ARG 13 HE ARG 13 -3.785 -17.006 2.354 83 HH11 ARG 13 1HH1 ARG 13 -5.964 -17.115 5.104 84 HH12 ARG 13 2HH1 ARG 13 -5.198 -18.504 5.813 85 HH21 ARG 13 1HH2 ARG 13 -2.775 -18.826 3.282 86 HH22 ARG 13 2HH2 ARG 13 -3.370 -19.474 4.784 87 H ILE 14 H ILE 14 -7.430 -14.887 -0.234 88 HA ILE 14 HA ILE 14 -7.318 -12.813 -2.313 89 HB ILE 14 HB ILE 14 -9.386 -14.988 -1.939 90 HG12 ILE 14 2HG1 ILE 14 -7.148 -15.327 -3.265 91 HG13 ILE 14 1HG1 ILE 14 -8.665 -15.930 -3.921 92 HG21 ILE 14 1HG2 ILE 14 -10.593 -13.981 -3.822 93 HG22 ILE 14 2HG2 ILE 14 -9.456 -12.632 -3.810 94 HG23 ILE 14 3HG2 ILE 14 -10.516 -12.906 -2.428 95 HD11 ILE 14 3HD1 ILE 14 -8.847 -13.888 -5.285 96 HD12 ILE 14 1HD1 ILE 14 -7.410 -14.846 -5.661 97 HD13 ILE 14 2HD1 ILE 14 -7.266 -13.383 -4.686 98 H LEU 15 H LEU 15 -7.248 -11.240 -0.586 99 HA LEU 15 HA LEU 15 -9.570 -11.050 1.149 100 HB2 LEU 15 2HB LEU 15 -7.264 -9.137 0.733 101 HB3 LEU 15 1HB LEU 15 -8.577 -8.868 1.863 102 HG LEU 15 HG LEU 15 -6.932 -9.652 3.245 103 HD11 LEU 15 1HD1 LEU 15 -8.881 -11.044 3.584 104 HD12 LEU 15 2HD1 LEU 15 -7.405 -11.971 3.861 105 HD13 LEU 15 3HD1 LEU 15 -8.305 -12.177 2.360 106 HD21 LEU 15 3HD2 LEU 15 -5.344 -11.424 2.680 107 HD22 LEU 15 1HD2 LEU 15 -5.287 -10.082 1.536 108 HD23 LEU 15 2HD2 LEU 15 -6.099 -11.583 1.092 109 H HIS 16 H HIS 16 -10.713 -8.808 1.148 110 HA HIS 16 HA HIS 16 -11.107 -8.020 -1.650 111 HB2 HIS 16 2HB HIS 16 -13.255 -8.748 0.334 112 HB3 HIS 16 1HB HIS 16 -13.560 -7.986 -1.223 113 HD1 HIS 16 1HD HIS 16 -14.796 -10.646 -0.542 114 HD2 HIS 16 2HD HIS 16 -11.142 -10.283 -2.483 115 HE1 HIS 16 1HE HIS 16 -14.559 -12.700 -1.862 116 HE2 HIS 16 2HE HIS 16 -12.477 -12.401 -3.241 117 HA PRO 17 HA PRO 17 -11.818 -3.813 -0.099 118 HB2 PRO 17 2HB PRO 17 -14.192 -3.266 -1.422 119 HB3 PRO 17 1HB PRO 17 -12.585 -3.025 -2.111 120 HG2 PRO 17 2HG PRO 17 -14.499 -5.278 -2.501 121 HG3 PRO 17 1HG PRO 17 -13.420 -4.507 -3.673 122 HD2 PRO 17 2HD PRO 17 -12.850 -6.898 -2.578 123 HD3 PRO 17 1HD PRO 17 -11.579 -5.713 -2.968 124 H LYS 18 H LYS 18 -14.154 -6.343 -0.187 125 HA LYS 18 HA LYS 18 -16.085 -5.719 1.637 126 HB2 LYS 18 2HB LYS 18 -14.556 -8.304 1.260 127 HB3 LYS 18 1HB LYS 18 -16.015 -8.202 2.213 128 HG2 LYS 18 2HG LYS 18 -17.245 -7.508 0.199 129 HG3 LYS 18 1HG LYS 18 -15.769 -7.678 -0.739 130 HD2 LYS 18 2HD LYS 18 -15.675 -10.023 -0.242 131 HD3 LYS 18 1HD LYS 18 -17.037 -9.887 0.868 132 HE2 LYS 18 2HE LYS 18 -17.222 -9.241 -2.064 133 HE3 LYS 18 1HE LYS 18 -17.555 -10.840 -1.401 134 HZ1 LYS 18 3HZ LYS 18 -19.244 -9.771 0.044 135 HZ2 LYS 18 1HZ LYS 18 -19.606 -9.689 -1.611 136 HZ3 LYS 18 2HZ LYS 18 -19.010 -8.325 -0.809 137 H PHE 19 H PHE 19 -12.681 -6.191 2.242 138 HA PHE 19 HA PHE 19 -13.181 -6.172 5.146 139 HB2 PHE 19 2HB PHE 19 -10.977 -7.663 3.706 140 HB3 PHE 19 1HB PHE 19 -11.263 -7.651 5.442 141 HD1 PHE 19 2HD PHE 19 -13.123 -8.893 6.405 142 HD2 PHE 19 1HD PHE 19 -12.339 -8.977 2.222 143 HE1 PHE 19 2HE PHE 19 -14.594 -10.854 6.170 144 HE2 PHE 19 1HE PHE 19 -13.806 -10.937 1.979 145 HZ PHE 19 HZ PHE 19 -14.935 -11.879 3.958 146 H ILE 20 H ILE 20 -11.981 -4.348 2.703 147 HA ILE 20 HA ILE 20 -9.584 -3.517 4.189 148 HB ILE 20 HB ILE 20 -10.255 -3.368 1.263 149 HG12 ILE 20 2HG1 ILE 20 -7.680 -4.313 2.456 150 HG13 ILE 20 1HG1 ILE 20 -9.101 -5.354 2.535 151 HG21 ILE 20 1HG2 ILE 20 -8.036 -1.904 2.695 152 HG22 ILE 20 2HG2 ILE 20 -9.356 -1.188 1.768 153 HG23 ILE 20 3HG2 ILE 20 -8.116 -2.137 0.948 154 HD11 ILE 20 3HD1 ILE 20 -9.260 -5.316 0.125 155 HD12 ILE 20 1HD1 ILE 20 -7.668 -5.865 0.645 156 HD13 ILE 20 2HD1 ILE 20 -7.879 -4.222 0.037 157 H VAL 21 H VAL 21 -9.585 -1.644 5.195 158 HA VAL 21 HA VAL 21 -11.443 0.465 4.292 159 HB VAL 21 HB VAL 21 -11.511 1.274 6.646 160 HG11 VAL 21 1HG1 VAL 21 -13.051 -0.436 7.470 161 HG12 VAL 21 2HG1 VAL 21 -12.460 -1.560 6.248 162 HG13 VAL 21 3HG1 VAL 21 -13.319 -0.100 5.759 163 HG21 VAL 21 3HG2 VAL 21 -10.098 -1.324 7.234 164 HG22 VAL 21 1HG2 VAL 21 -10.822 -0.266 8.442 165 HG23 VAL 21 2HG2 VAL 21 -9.456 0.302 7.481 166 H GLY 22 H GLY 22 -8.299 -0.385 4.359 167 HA2 GLY 22 2HA GLY 22 -7.440 2.339 3.947 168 HA3 GLY 22 1HA GLY 22 -6.739 1.581 5.372 169 H PHE 23 H PHE 23 -5.241 2.475 3.132 170 HA PHE 23 HA PHE 23 -3.923 -0.013 2.364 171 HB2 PHE 23 2HB PHE 23 -5.290 -0.063 0.566 172 HB3 PHE 23 1HB PHE 23 -5.573 1.674 0.581 173 HD1 PHE 23 1HD PHE 23 -3.199 -0.961 -0.382 174 HD2 PHE 23 2HD PHE 23 -4.308 3.117 -0.662 175 HE1 PHE 23 1HE PHE 23 -1.618 -0.675 -2.232 176 HE2 PHE 23 2HE PHE 23 -2.727 3.416 -2.539 177 HZ PHE 23 HZ PHE 23 -1.409 1.489 -3.289 178 H THR 24 H THR 24 -1.830 0.227 2.222 179 HA THR 24 HA THR 24 -0.643 2.849 1.692 180 HB THR 24 HB THR 24 0.236 1.112 4.008 181 HG1 THR 24 1HG THR 24 -1.201 3.580 3.972 182 HG21 THR 24 3HG2 THR 24 1.677 2.982 4.589 183 HG22 THR 24 1HG2 THR 24 1.092 3.895 3.201 184 HG23 THR 24 2HG2 THR 24 2.039 2.428 2.954 185 H ARG 25 H ARG 25 0.593 2.455 -0.066 186 HA ARG 25 HA ARG 25 1.584 -0.204 -0.581 187 HB2 ARG 25 2HB ARG 25 0.764 1.010 -2.442 188 HB3 ARG 25 1HB ARG 25 1.778 2.401 -2.075 189 HG2 ARG 25 2HG ARG 25 3.771 0.933 -2.552 190 HG3 ARG 25 1HG ARG 25 2.633 -0.271 -3.161 191 HD2 ARG 25 2HD ARG 25 2.981 2.545 -4.191 192 HD3 ARG 25 1HD ARG 25 3.514 1.068 -4.993 193 HE ARG 25 HE ARG 25 0.808 0.773 -4.578 194 HH11 ARG 25 1HH1 ARG 25 2.864 3.030 -6.291 195 HH12 ARG 25 2HH1 ARG 25 1.692 3.347 -7.531 196 HH21 ARG 25 1HH2 ARG 25 -0.749 1.226 -6.192 197 HH22 ARG 25 2HH2 ARG 25 -0.371 2.336 -7.468 198 H GLN 26 H GLN 26 3.229 -0.859 0.648 199 HA GLN 26 HA GLN 26 5.188 0.936 1.715 200 HB2 GLN 26 2HB GLN 26 4.295 -1.207 2.777 201 HB3 GLN 26 1HB GLN 26 5.346 -2.073 1.667 202 HG2 GLN 26 2HG GLN 26 7.287 -1.108 2.624 203 HG3 GLN 26 1HG GLN 26 6.325 0.011 3.589 204 HE21 GLN 26 1HE2 GLN 26 5.479 -3.337 3.137 205 HE22 GLN 26 2HE2 GLN 26 5.773 -3.834 4.767 206 H LEU 27 H LEU 27 7.117 1.464 0.888 207 HA LEU 27 HA LEU 27 7.657 0.454 -1.805 208 HB2 LEU 27 2HB LEU 27 8.610 2.971 -0.444 209 HB3 LEU 27 1HB LEU 27 8.944 2.523 -2.105 210 HG LEU 27 HG LEU 27 6.201 3.094 -0.983 211 HD11 LEU 27 1HD1 LEU 27 6.326 5.148 -2.281 212 HD12 LEU 27 2HD1 LEU 27 7.965 4.744 -2.793 213 HD13 LEU 27 3HD1 LEU 27 7.629 5.084 -1.095 214 HD21 LEU 27 3HD2 LEU 27 6.148 1.484 -2.821 215 HD22 LEU 27 1HD2 LEU 27 7.125 2.567 -3.812 216 HD23 LEU 27 2HD2 LEU 27 5.494 3.039 -3.335 217 H ALA 28 H ALA 28 9.759 0.012 -2.522 218 HA ALA 28 HA ALA 28 11.627 -0.978 -0.568 219 HB1 ALA 28 1HB ALA 28 11.336 -2.083 -2.732 220 HB2 ALA 28 2HB ALA 28 12.998 -1.530 -2.520 221 HB3 ALA 28 3HB ALA 28 11.890 -0.623 -3.552 222 H ASN 29 H ASN 29 11.141 1.846 -2.449 223 HA ASN 29 HA ASN 29 13.606 2.993 -2.719 224 HB2 ASN 29 2HB ASN 29 11.009 4.428 -2.137 225 HB3 ASN 29 1HB ASN 29 12.455 5.175 -2.802 226 HD21 ASN 29 1HD2 ASN 29 9.699 3.197 -3.450 227 HD22 ASN 29 2HD2 ASN 29 9.900 3.114 -5.168 228 H GLU 30 H GLU 30 11.675 2.875 0.213 229 HA GLU 30 HA GLU 30 13.430 4.864 1.455 230 HB2 GLU 30 2HB GLU 30 10.792 3.755 2.429 231 HB3 GLU 30 1HB GLU 30 11.720 5.032 3.202 232 HG2 GLU 30 2HG GLU 30 11.497 6.326 1.048 233 HG3 GLU 30 1HG GLU 30 10.315 5.120 0.552 234 H GLY 31 H GLY 31 14.132 1.965 1.001 235 HA2 GLY 31 2HA GLY 31 16.016 1.548 2.744 236 HA3 GLY 31 1HA GLY 31 14.656 1.240 3.805 237 H CYS 32 H CYS 32 12.997 -0.170 2.053 238 HA CYS 32 HA CYS 32 14.288 -2.716 2.334 239 HB2 CYS 32 2HB CYS 32 11.769 -1.986 2.722 240 HB3 CYS 32 1HB CYS 32 11.638 -2.568 1.063 241 H ASP 33 H ASP 33 13.136 -4.241 0.337 242 HA ASP 33 HA ASP 33 14.510 -3.205 -2.053 243 HB2 ASP 33 2HB ASP 33 14.527 -6.018 -0.951 244 HB3 ASP 33 1HB ASP 33 15.101 -5.599 -2.561 245 H ILE 34 H ILE 34 11.790 -4.976 -0.779 246 HA ILE 34 HA ILE 34 10.668 -5.083 -3.498 247 HB ILE 34 HB ILE 34 9.456 -6.974 -3.002 248 HG12 ILE 34 2HG1 ILE 34 9.690 -6.404 -0.037 249 HG13 ILE 34 1HG1 ILE 34 8.295 -6.001 -1.028 250 HG21 ILE 34 1HG2 ILE 34 11.805 -7.177 -1.130 251 HG22 ILE 34 2HG2 ILE 34 11.805 -7.539 -2.858 252 HG23 ILE 34 3HG2 ILE 34 10.869 -8.539 -1.746 253 HD11 ILE 34 3HD1 ILE 34 9.332 -8.769 -0.470 254 HD12 ILE 34 1HD1 ILE 34 7.948 -8.377 -1.495 255 HD13 ILE 34 2HD1 ILE 34 7.897 -8.024 0.232 256 H ASN 35 H ASN 35 8.196 -4.828 -3.475 257 HA ASN 35 HA ASN 35 7.487 -2.706 -1.559 258 HB2 ASN 35 2HB ASN 35 6.411 -3.060 -4.373 259 HB3 ASN 35 1HB ASN 35 6.014 -1.752 -3.261 260 HD21 ASN 35 1HD2 ASN 35 8.272 -3.007 -5.513 261 HD22 ASN 35 2HD2 ASN 35 9.319 -1.643 -5.537 262 H ALA 36 H ALA 36 5.863 -3.207 -0.220 263 HA ALA 36 HA ALA 36 4.138 -5.468 -0.976 264 HB1 ALA 36 1HB ALA 36 3.888 -5.948 1.414 265 HB2 ALA 36 2HB ALA 36 4.988 -4.621 1.792 266 HB3 ALA 36 3HB ALA 36 5.574 -6.030 0.905 267 H ILE 37 H ILE 37 2.102 -4.937 -1.345 268 HA ILE 37 HA ILE 37 0.975 -2.401 -0.747 269 HB ILE 37 HB ILE 37 -0.346 -4.996 -1.567 270 HG12 ILE 37 2HG1 ILE 37 1.301 -4.201 -3.198 271 HG13 ILE 37 1HG1 ILE 37 -0.333 -4.061 -3.833 272 HG21 ILE 37 1HG2 ILE 37 -1.395 -2.195 -1.416 273 HG22 ILE 37 2HG2 ILE 37 -2.017 -3.642 -0.626 274 HG23 ILE 37 3HG2 ILE 37 -2.166 -3.460 -2.375 275 HD11 ILE 37 3HD1 ILE 37 -0.309 -1.667 -3.323 276 HD12 ILE 37 1HD1 ILE 37 0.992 -2.127 -4.419 277 HD13 ILE 37 2HD1 ILE 37 1.340 -1.822 -2.717 278 H ILE 38 H ILE 38 0.678 -1.863 1.384 279 HA ILE 38 HA ILE 38 -0.148 -3.893 3.285 280 HB ILE 38 HB ILE 38 0.199 -0.932 3.774 281 HG12 ILE 38 2HG1 ILE 38 2.290 -1.871 2.897 282 HG13 ILE 38 1HG1 ILE 38 2.450 -1.456 4.599 283 HG21 ILE 38 1HG2 ILE 38 0.549 -1.659 6.117 284 HG22 ILE 38 2HG2 ILE 38 0.127 -3.304 5.636 285 HG23 ILE 38 3HG2 ILE 38 -1.065 -2.011 5.507 286 HD11 ILE 38 3HD1 ILE 38 2.059 -4.213 3.458 287 HD12 ILE 38 1HD1 ILE 38 2.156 -3.818 5.177 288 HD13 ILE 38 2HD1 ILE 38 3.550 -3.545 4.131 289 H PHE 39 H PHE 39 -2.247 -4.445 2.804 290 HA PHE 39 HA PHE 39 -4.265 -2.362 2.642 291 HB2 PHE 39 2HB PHE 39 -4.408 -5.368 2.507 292 HB3 PHE 39 1HB PHE 39 -5.857 -4.387 2.657 293 HD1 PHE 39 1HD PHE 39 -4.986 -2.094 0.847 294 HD2 PHE 39 2HD PHE 39 -4.767 -6.323 0.415 295 HE1 PHE 39 1HE PHE 39 -5.044 -1.849 -1.613 296 HE2 PHE 39 2HE PHE 39 -4.819 -6.086 -2.021 297 HZ PHE 39 HZ PHE 39 -4.948 -3.858 -3.029 298 H HIS 40 H HIS 40 -5.252 -1.551 4.337 299 HA HIS 40 HA HIS 40 -4.793 -2.770 6.961 300 HB2 HIS 40 2HB HIS 40 -6.034 -0.082 6.314 301 HB3 HIS 40 1HB HIS 40 -5.514 -0.640 7.900 302 HD1 HIS 40 1HD HIS 40 -3.359 0.424 8.573 303 HD2 HIS 40 2HD HIS 40 -3.623 -0.130 4.459 304 HE1 HIS 40 1HE HIS 40 -1.243 1.391 7.597 305 HE2 HIS 40 2HE HIS 40 -1.570 1.292 5.121 306 H THR 41 H THR 41 -6.258 -4.236 7.478 307 HA THR 41 HA THR 41 -8.814 -4.274 6.188 308 HB THR 41 HB THR 41 -9.202 -6.328 7.555 309 HG1 THR 41 1HG THR 41 -6.472 -6.303 8.243 310 HG21 THR 41 3HG2 THR 41 -8.233 -6.404 5.290 311 HG22 THR 41 1HG2 THR 41 -7.601 -7.689 6.323 312 HG23 THR 41 2HG2 THR 41 -6.620 -6.264 5.988 313 H LYS 42 H LYS 42 -10.832 -4.544 7.299 314 HA LYS 42 HA LYS 42 -11.379 -2.615 9.292 315 HB2 LYS 42 2HB LYS 42 -12.989 -3.582 7.597 316 HB3 LYS 42 1HB LYS 42 -13.036 -5.040 8.573 317 HG2 LYS 42 2HG LYS 42 -13.952 -3.777 10.436 318 HG3 LYS 42 1HG LYS 42 -13.878 -2.297 9.477 319 HD2 LYS 42 2HD LYS 42 -15.401 -3.331 7.827 320 HD3 LYS 42 1HD LYS 42 -15.522 -4.754 8.859 321 HE2 LYS 42 2HE LYS 42 -16.333 -1.955 9.621 322 HE3 LYS 42 1HE LYS 42 -17.431 -3.243 9.146 323 HZ1 LYS 42 3HZ LYS 42 -15.664 -3.280 11.525 324 HZ2 LYS 42 1HZ LYS 42 -16.717 -4.525 11.067 325 HZ3 LYS 42 2HZ LYS 42 -17.335 -3.017 11.541 326 H LYS 43 H LYS 43 -9.870 -5.553 9.432 327 HA LYS 43 HA LYS 43 -10.694 -6.241 12.115 328 HB2 LYS 43 2HB LYS 43 -10.389 -8.015 10.425 329 HB3 LYS 43 1HB LYS 43 -8.699 -7.556 10.260 330 HG2 LYS 43 2HG LYS 43 -8.987 -9.559 11.625 331 HG3 LYS 43 1HG LYS 43 -8.264 -8.235 12.537 332 HD2 LYS 43 2HD LYS 43 -10.478 -7.717 13.494 333 HD3 LYS 43 1HD LYS 43 -11.151 -9.101 12.628 334 HE2 LYS 43 2HE LYS 43 -10.666 -9.672 14.947 335 HE3 LYS 43 1HE LYS 43 -9.640 -10.590 13.847 336 HZ1 LYS 43 3HZ LYS 43 -7.889 -8.896 14.253 337 HZ2 LYS 43 1HZ LYS 43 -8.298 -9.809 15.620 338 HZ3 LYS 43 2HZ LYS 43 -8.869 -8.219 15.455 339 H LYS 44 H LYS 44 -8.751 -4.010 10.857 340 HA LYS 44 HA LYS 44 -7.143 -2.641 11.691 341 HB2 LYS 44 2HB LYS 44 -7.475 -4.284 14.207 342 HB3 LYS 44 1HB LYS 44 -6.493 -2.829 14.092 343 HG2 LYS 44 2HG LYS 44 -8.493 -1.536 13.522 344 HG3 LYS 44 1HG LYS 44 -9.469 -2.999 13.662 345 HD2 LYS 44 2HD LYS 44 -8.813 -3.199 16.020 346 HD3 LYS 44 1HD LYS 44 -7.850 -1.726 15.867 347 HE2 LYS 44 2HE LYS 44 -10.828 -1.913 15.441 348 HE3 LYS 44 1HE LYS 44 -10.046 -1.309 16.901 349 HZ1 LYS 44 3HZ LYS 44 -9.075 0.482 15.635 350 HZ2 LYS 44 1HZ LYS 44 -10.755 0.478 15.397 351 HZ3 LYS 44 2HZ LYS 44 -9.723 -0.122 14.191 352 H LEU 45 H LEU 45 -6.654 -5.428 10.543 353 HA LEU 45 HA LEU 45 -3.890 -5.756 11.476 354 HB2 LEU 45 2HB LEU 45 -5.682 -7.665 9.975 355 HB3 LEU 45 1HB LEU 45 -3.996 -7.976 10.345 356 HG LEU 45 HG LEU 45 -6.209 -7.610 12.357 357 HD11 LEU 45 1HD1 LEU 45 -6.331 -9.734 11.137 358 HD12 LEU 45 2HD1 LEU 45 -5.896 -9.970 12.831 359 HD13 LEU 45 3HD1 LEU 45 -4.656 -10.074 11.581 360 HD21 LEU 45 3HD2 LEU 45 -3.300 -8.286 12.769 361 HD22 LEU 45 1HD2 LEU 45 -4.540 -8.244 14.018 362 HD23 LEU 45 2HD2 LEU 45 -4.076 -6.761 13.188 363 H SER 46 H SER 46 -2.307 -5.105 10.231 364 HA SER 46 HA SER 46 -2.790 -4.118 7.592 365 HB2 SER 46 2HB SER 46 -0.197 -3.878 7.704 366 HB3 SER 46 1HB SER 46 -1.195 -2.885 8.766 367 HG SER 46 HG SER 46 0.417 -5.107 9.385 368 H VAL 47 H VAL 47 -3.110 -5.497 5.963 369 HA VAL 47 HA VAL 47 -1.777 -8.087 5.976 370 HB VAL 47 HB VAL 47 -3.861 -6.959 4.104 371 HG11 VAL 47 1HG1 VAL 47 -4.120 -9.262 3.310 372 HG12 VAL 47 2HG1 VAL 47 -2.764 -9.758 4.324 373 HG13 VAL 47 3HG1 VAL 47 -2.502 -8.638 2.987 374 HG21 VAL 47 3HG2 VAL 47 -4.701 -7.288 6.358 375 HG22 VAL 47 1HG2 VAL 47 -4.092 -8.943 6.360 376 HG23 VAL 47 2HG2 VAL 47 -5.391 -8.482 5.258 377 H CYS 48 H CYS 48 -0.094 -8.609 4.671 378 HA CYS 48 HA CYS 48 1.004 -6.489 3.022 379 HB2 CYS 48 2HB CYS 48 2.147 -9.214 3.676 380 HB3 CYS 48 1HB CYS 48 2.993 -7.905 2.849 381 H ALA 49 H ALA 49 -0.307 -6.418 1.299 382 HA ALA 49 HA ALA 49 -1.187 -8.776 -0.076 383 HB1 ALA 49 1HB ALA 49 -2.246 -7.154 -1.590 384 HB2 ALA 49 2HB ALA 49 -1.418 -5.849 -0.738 385 HB3 ALA 49 3HB ALA 49 -2.610 -6.832 0.104 386 H ASN 50 H ASN 50 -0.502 -9.550 -2.023 387 HA ASN 50 HA ASN 50 2.183 -8.837 -2.823 388 HB2 ASN 50 2HB ASN 50 0.253 -10.886 -3.948 389 HB3 ASN 50 1HB ASN 50 1.908 -10.672 -4.495 390 HD21 ASN 50 1HD2 ASN 50 0.946 -10.464 -1.119 391 HD22 ASN 50 2HD2 ASN 50 1.693 -11.950 -0.645 392 HA PRO 51 HA PRO 51 0.692 -6.159 -6.088 393 HB2 PRO 51 2HB PRO 51 3.460 -6.168 -7.040 394 HB3 PRO 51 1HB PRO 51 2.486 -4.821 -6.448 395 HG2 PRO 51 2HG PRO 51 4.550 -5.828 -5.037 396 HG3 PRO 51 1HG PRO 51 3.108 -5.149 -4.262 397 HD2 PRO 51 2HD PRO 51 3.840 -8.021 -4.712 398 HD3 PRO 51 1HD PRO 51 3.105 -7.256 -3.280 399 H LYS 52 H LYS 52 1.620 -9.268 -6.214 400 HA LYS 52 HA LYS 52 2.034 -9.543 -9.078 401 HB2 LYS 52 2HB LYS 52 1.997 -11.520 -6.795 402 HB3 LYS 52 1HB LYS 52 2.268 -11.978 -8.475 403 HG2 LYS 52 2HG LYS 52 4.227 -10.405 -8.478 404 HG3 LYS 52 1HG LYS 52 4.006 -10.250 -6.736 405 HD2 LYS 52 2HD LYS 52 4.451 -12.858 -8.183 406 HD3 LYS 52 1HD LYS 52 5.720 -11.925 -7.387 407 HE2 LYS 52 2HE LYS 52 4.535 -12.158 -5.248 408 HE3 LYS 52 1HE LYS 52 3.279 -13.099 -6.050 409 HZ1 LYS 52 3HZ LYS 52 4.802 -14.835 -6.496 410 HZ2 LYS 52 1HZ LYS 52 5.026 -14.423 -4.866 411 HZ3 LYS 52 2HZ LYS 52 6.137 -13.892 -6.033 412 H GLN 53 H GLN 53 -0.547 -9.654 -6.876 413 HA GLN 53 HA GLN 53 -2.024 -11.622 -8.462 414 HB2 GLN 53 2HB GLN 53 -3.504 -11.537 -6.289 415 HB3 GLN 53 1HB GLN 53 -2.009 -12.462 -6.327 416 HG2 GLN 53 2HG GLN 53 -0.865 -10.435 -5.363 417 HG3 GLN 53 1HG GLN 53 -2.471 -9.759 -5.113 418 HE21 GLN 53 1HE2 GLN 53 -2.182 -9.675 -2.927 419 HE22 GLN 53 2HE2 GLN 53 -2.185 -11.098 -1.939 420 H THR 54 H THR 54 -4.110 -11.247 -9.151 421 HA THR 54 HA THR 54 -4.469 -8.546 -9.992 422 HB THR 54 HB THR 54 -6.656 -9.635 -10.970 423 HG1 THR 54 1HG THR 54 -6.680 -11.787 -10.967 424 HG21 THR 54 3HG2 THR 54 -4.797 -8.826 -12.313 425 HG22 THR 54 1HG2 THR 54 -5.338 -10.393 -12.912 426 HG23 THR 54 2HG2 THR 54 -3.869 -10.282 -11.940 427 H TRP 55 H TRP 55 -6.027 -10.563 -7.554 428 HA TRP 55 HA TRP 55 -8.255 -8.905 -7.158 429 HB2 TRP 55 2HB TRP 55 -8.611 -9.980 -5.092 430 HB3 TRP 55 1HB TRP 55 -7.994 -11.193 -6.197 431 HD1 TRP 55 HD TRP 55 -5.629 -12.195 -5.623 432 HE1 TRP 55 1HE TRP 55 -4.211 -12.190 -3.542 433 HE3 TRP 55 3HE TRP 55 -7.964 -8.539 -3.258 434 HZ2 TRP 55 2HZ TRP 55 -4.105 -10.734 -1.091 435 HZ3 TRP 55 3HZ TRP 55 -7.209 -7.871 -1.120 436 HH2 TRP 55 HH TRP 55 -5.342 -8.911 0.003 437 H VAL 56 H VAL 56 -4.989 -8.754 -6.054 438 HA VAL 56 HA VAL 56 -5.327 -6.494 -4.366 439 HB VAL 56 HB VAL 56 -2.968 -7.857 -5.616 440 HG11 VAL 56 1HG1 VAL 56 -2.428 -5.509 -5.824 441 HG12 VAL 56 2HG1 VAL 56 -1.490 -6.231 -4.515 442 HG13 VAL 56 3HG1 VAL 56 -2.895 -5.230 -4.147 443 HG21 VAL 56 3HG2 VAL 56 -3.805 -7.216 -2.802 444 HG22 VAL 56 1HG2 VAL 56 -2.321 -8.061 -3.247 445 HG23 VAL 56 2HG2 VAL 56 -3.891 -8.788 -3.598 446 H LYS 57 H LYS 57 -4.221 -6.931 -7.704 447 HA LYS 57 HA LYS 57 -3.677 -4.270 -8.311 448 HB2 LYS 57 2HB LYS 57 -4.677 -6.458 -10.147 449 HB3 LYS 57 1HB LYS 57 -4.005 -4.921 -10.687 450 HG2 LYS 57 2HG LYS 57 -1.883 -5.473 -9.599 451 HG3 LYS 57 1HG LYS 57 -2.559 -7.016 -9.077 452 HD2 LYS 57 2HD LYS 57 -2.805 -7.731 -11.370 453 HD3 LYS 57 1HD LYS 57 -2.278 -6.151 -11.954 454 HE2 LYS 57 2HE LYS 57 -0.079 -6.501 -10.970 455 HE3 LYS 57 1HE LYS 57 -0.602 -8.056 -10.322 456 HZ1 LYS 57 3HZ LYS 57 0.718 -8.142 -12.439 457 HZ2 LYS 57 1HZ LYS 57 -0.604 -7.440 -13.222 458 HZ3 LYS 57 2HZ LYS 57 -0.762 -8.963 -12.485 459 H TYR 58 H TYR 58 -6.714 -6.037 -8.403 460 HA TYR 58 HA TYR 58 -8.273 -3.994 -9.545 461 HB2 TYR 58 2HB TYR 58 -9.303 -6.075 -9.571 462 HB3 TYR 58 1HB TYR 58 -8.850 -6.435 -7.910 463 HD1 TYR 58 1HD TYR 58 -10.871 -3.803 -9.663 464 HD2 TYR 58 2HD TYR 58 -10.604 -6.571 -6.442 465 HE1 TYR 58 1HE TYR 58 -13.094 -3.108 -8.888 466 HE2 TYR 58 2HE TYR 58 -12.829 -5.893 -5.670 467 HH TYR 58 HH TYR 58 -14.296 -3.842 -5.857 468 H ILE 59 H ILE 59 -7.634 -4.867 -6.154 469 HA ILE 59 HA ILE 59 -9.358 -2.900 -5.082 470 HB ILE 59 HB ILE 59 -7.055 -4.300 -3.724 471 HG12 ILE 59 2HG1 ILE 59 -10.007 -4.962 -3.829 472 HG13 ILE 59 1HG1 ILE 59 -8.726 -5.845 -4.647 473 HG21 ILE 59 1HG2 ILE 59 -9.428 -2.820 -2.586 474 HG22 ILE 59 2HG2 ILE 59 -7.744 -2.298 -2.519 475 HG23 ILE 59 3HG2 ILE 59 -8.255 -3.745 -1.647 476 HD11 ILE 59 3HD1 ILE 59 -7.799 -6.533 -2.548 477 HD12 ILE 59 1HD1 ILE 59 -9.509 -6.957 -2.619 478 HD13 ILE 59 2HD1 ILE 59 -8.984 -5.565 -1.675 479 H VAL 60 H VAL 60 -5.811 -2.994 -5.505 480 HA VAL 60 HA VAL 60 -5.318 -0.491 -4.304 481 HB VAL 60 HB VAL 60 -3.531 -2.135 -4.674 482 HG11 VAL 60 1HG1 VAL 60 -2.510 -2.379 -6.903 483 HG12 VAL 60 2HG1 VAL 60 -3.821 -1.419 -7.588 484 HG13 VAL 60 3HG1 VAL 60 -4.168 -2.983 -6.854 485 HG21 VAL 60 3HG2 VAL 60 -2.919 0.198 -4.337 486 HG22 VAL 60 1HG2 VAL 60 -3.009 0.484 -6.075 487 HG23 VAL 60 2HG2 VAL 60 -1.784 -0.603 -5.422 488 H ARG 61 H ARG 61 -6.318 -1.383 -7.535 489 HA ARG 61 HA ARG 61 -5.806 1.086 -8.796 490 HB2 ARG 61 2HB ARG 61 -6.346 -1.026 -9.989 491 HB3 ARG 61 1HB ARG 61 -8.000 -0.905 -9.405 492 HG2 ARG 61 2HG ARG 61 -8.340 1.119 -10.670 493 HG3 ARG 61 1HG ARG 61 -6.646 1.120 -11.176 494 HD2 ARG 61 2HD ARG 61 -8.703 -0.989 -11.826 495 HD3 ARG 61 1HD ARG 61 -8.094 0.239 -12.936 496 HE ARG 61 HE ARG 61 -5.826 -0.915 -12.381 497 HH11 ARG 61 1HH1 ARG 61 -8.924 -2.527 -12.759 498 HH12 ARG 61 2HH1 ARG 61 -8.219 -3.989 -13.393 499 HH21 ARG 61 1HH2 ARG 61 -4.913 -2.818 -13.191 500 HH22 ARG 61 2HH2 ARG 61 -5.929 -4.157 -13.628 501 H LEU 62 H LEU 62 -8.667 -0.181 -7.115 502 HA LEU 62 HA LEU 62 -10.200 2.191 -7.459 503 HB2 LEU 62 2HB LEU 62 -10.488 -0.098 -5.523 504 HB3 LEU 62 1HB LEU 62 -11.628 1.232 -5.629 505 HG LEU 62 HG LEU 62 -11.026 -0.844 -7.726 506 HD11 LEU 62 1HD1 LEU 62 -13.399 -1.359 -7.495 507 HD12 LEU 62 2HD1 LEU 62 -13.553 -0.119 -6.251 508 HD13 LEU 62 3HD1 LEU 62 -12.550 -1.540 -5.959 509 HD21 LEU 62 3HD2 LEU 62 -12.634 0.296 -9.167 510 HD22 LEU 62 1HD2 LEU 62 -11.253 1.338 -8.811 511 HD23 LEU 62 2HD2 LEU 62 -12.788 1.594 -7.978 512 H LEU 63 H LEU 63 -7.917 1.087 -5.061 513 HA LEU 63 HA LEU 63 -8.458 3.055 -3.109 514 HB2 LEU 63 2HB LEU 63 -6.382 1.064 -3.609 515 HB3 LEU 63 1HB LEU 63 -5.815 2.493 -2.763 516 HG LEU 63 HG LEU 63 -6.407 0.851 -1.143 517 HD11 LEU 63 1HD1 LEU 63 -8.557 2.955 -1.294 518 HD12 LEU 63 2HD1 LEU 63 -6.962 3.134 -0.558 519 HD13 LEU 63 3HD1 LEU 63 -8.130 2.009 0.135 520 HD21 LEU 63 3HD2 LEU 63 -8.645 -0.104 -0.985 521 HD22 LEU 63 1HD2 LEU 63 -7.845 -0.537 -2.494 522 HD23 LEU 63 2HD2 LEU 63 -9.094 0.708 -2.484 523 H SER 64 H SER 64 -6.374 2.992 -5.929 524 HA SER 64 HA SER 64 -5.009 5.419 -5.272 525 HB2 SER 64 2HB SER 64 -5.242 4.025 -7.948 526 HB3 SER 64 1HB SER 64 -4.047 5.245 -7.504 527 HG SER 64 HG SER 64 -4.353 2.703 -6.258 528 H LYS 65 H LYS 65 -7.708 4.537 -7.391 529 HA LYS 65 HA LYS 65 -8.140 7.403 -7.872 530 HB2 LYS 65 2HB LYS 65 -7.768 5.924 -9.880 531 HB3 LYS 65 1HB LYS 65 -9.288 5.129 -9.487 532 HG2 LYS 65 2HG LYS 65 -9.655 6.777 -11.202 533 HG3 LYS 65 1HG LYS 65 -10.443 7.297 -9.712 534 HD2 LYS 65 2HD LYS 65 -8.514 8.749 -9.227 535 HD3 LYS 65 1HD LYS 65 -7.781 8.258 -10.754 536 HE2 LYS 65 2HE LYS 65 -9.736 9.167 -11.946 537 HE3 LYS 65 1HE LYS 65 -10.397 9.713 -10.406 538 HZ1 LYS 65 3HZ LYS 65 -7.800 10.590 -11.550 539 HZ2 LYS 65 1HZ LYS 65 -8.507 11.158 -10.117 540 HZ3 LYS 65 2HZ LYS 65 -9.243 11.478 -11.607 541 H LYS 66 H LYS 66 -9.206 7.717 -5.910 542 HA LYS 66 HA LYS 66 -11.739 6.338 -5.536 543 HB2 LYS 66 2HB LYS 66 -11.842 7.674 -3.405 544 HB3 LYS 66 1HB LYS 66 -10.479 6.572 -3.523 545 HG2 LYS 66 2HG LYS 66 -9.007 8.416 -4.084 546 HG3 LYS 66 1HG LYS 66 -10.368 9.536 -4.043 547 HD2 LYS 66 2HD LYS 66 -9.373 7.908 -1.708 548 HD3 LYS 66 1HD LYS 66 -9.038 9.618 -1.978 549 HE2 LYS 66 2HE LYS 66 -11.456 10.079 -1.885 550 HE3 LYS 66 1HE LYS 66 -11.756 8.375 -1.544 551 HZ1 LYS 66 3HZ LYS 66 -10.409 8.623 0.484 552 HZ2 LYS 66 1HZ LYS 66 -11.767 9.643 0.489 553 HZ3 LYS 66 2HZ LYS 66 -10.230 10.276 0.154 554 H VAL 67 H VAL 67 -13.431 7.067 -6.568 555 HA VAL 67 HA VAL 67 -13.566 9.900 -7.301 556 HB VAL 67 HB VAL 67 -15.416 9.241 -8.811 557 HG11 VAL 67 1HG1 VAL 67 -13.157 9.331 -9.677 558 HG12 VAL 67 2HG1 VAL 67 -14.035 7.999 -10.428 559 HG13 VAL 67 3HG1 VAL 67 -12.860 7.676 -9.153 560 HG21 VAL 67 3HG2 VAL 67 -16.257 7.320 -7.584 561 HG22 VAL 67 1HG2 VAL 67 -14.762 6.440 -7.894 562 HG23 VAL 67 2HG2 VAL 67 -15.836 6.853 -9.230 563 H LYS 68 H LYS 68 -15.661 10.997 -7.135 564 HA LYS 68 HA LYS 68 -16.995 10.260 -4.630 565 HB2 LYS 68 2HB LYS 68 -16.702 12.897 -6.059 566 HB3 LYS 68 1HB LYS 68 -17.829 12.662 -4.732 567 HG2 LYS 68 2HG LYS 68 -16.006 12.127 -3.234 568 HG3 LYS 68 1HG LYS 68 -14.851 12.251 -4.564 569 HD2 LYS 68 2HD LYS 68 -14.901 14.276 -3.139 570 HD3 LYS 68 1HD LYS 68 -15.328 14.607 -4.817 571 HE2 LYS 68 2HE LYS 68 -16.793 15.807 -3.294 572 HE3 LYS 68 1HE LYS 68 -17.697 14.609 -4.218 573 HZ1 LYS 68 3HZ LYS 68 -16.709 13.567 -1.739 574 HZ2 LYS 68 1HZ LYS 68 -18.287 13.551 -2.369 575 HZ3 LYS 68 2HZ LYS 68 -17.725 14.901 -1.510 576 H ASN 69 H ASN 69 -18.798 9.130 -4.971 577 HA ASN 69 HA ASN 69 -20.539 9.566 -7.199 578 HB2 ASN 69 2HB ASN 69 -21.035 8.170 -4.552 579 HB3 ASN 69 1HB ASN 69 -22.154 8.163 -5.908 580 HD21 ASN 69 1HD2 ASN 69 -20.849 5.929 -4.580 581 HD22 ASN 69 2HD2 ASN 69 -19.958 5.094 -5.803 582 H MET 70 H MET 70 -20.350 10.615 -3.880 583 HA MET 70 HA MET 70 -22.496 12.563 -4.358 584 HB2 MET 70 2HB MET 70 -23.174 11.036 -2.631 585 HB3 MET 70 1HB MET 70 -21.625 11.199 -1.808 586 HG2 MET 70 2HG MET 70 -22.139 13.526 -1.290 587 HG3 MET 70 1HG MET 70 -23.683 13.375 -2.128 588 HE1 MET 70 3HE MET 70 -23.132 14.336 0.962 589 HE2 MET 70 1HE MET 70 -24.525 13.600 1.753 590 HE3 MET 70 2HE MET 70 -24.716 14.395 0.191 Start of MODEL 3 1 H1 ALA 1 1HT ALA 1 17.098 5.739 4.077 2 H2 ALA 1 2HT ALA 1 17.060 6.247 5.695 3 H3 ALA 1 3HT ALA 1 17.752 7.237 4.508 4 HA ALA 1 HA ALA 1 15.548 8.009 5.183 5 HB1 ALA 1 1HB ALA 1 15.743 7.021 2.337 6 HB2 ALA 1 2HB ALA 1 16.424 8.523 2.961 7 HB3 ALA 1 3HB ALA 1 14.675 8.299 2.920 8 H SER 2 H SER 2 15.687 5.041 5.814 9 HA SER 2 HA SER 2 13.368 3.890 4.580 10 HB2 SER 2 2HB SER 2 14.994 2.897 6.932 11 HB3 SER 2 1HB SER 2 13.830 1.954 5.998 12 HG SER 2 HG SER 2 15.409 1.545 4.673 13 H ASN 3 H ASN 3 11.669 5.220 5.071 14 HA ASN 3 HA ASN 3 10.954 6.012 7.695 15 HB2 ASN 3 2HB ASN 3 10.180 7.183 5.662 16 HB3 ASN 3 1HB ASN 3 9.224 5.770 5.218 17 HD21 ASN 3 1HD2 ASN 3 7.318 6.998 5.239 18 HD22 ASN 3 2HD2 ASN 3 6.574 7.500 6.718 19 H PHE 4 H PHE 4 9.988 3.316 5.639 20 HA PHE 4 HA PHE 4 8.595 2.119 7.942 21 HB2 PHE 4 2HB PHE 4 7.129 0.982 6.308 22 HB3 PHE 4 1HB PHE 4 7.002 2.731 6.192 23 HD1 PHE 4 2HD PHE 4 8.554 -0.240 4.629 24 HD2 PHE 4 1HD PHE 4 7.462 3.847 4.178 25 HE1 PHE 4 2HE PHE 4 9.097 -0.367 2.239 26 HE2 PHE 4 1HE PHE 4 8.004 3.722 1.783 27 HZ PHE 4 HZ PHE 4 8.819 1.612 0.821 28 H ASP 5 H ASP 5 8.247 -0.357 7.326 29 HA ASP 5 HA ASP 5 10.643 -1.472 6.086 30 HB2 ASP 5 2HB ASP 5 11.275 -1.458 8.349 31 HB3 ASP 5 1HB ASP 5 9.694 -2.002 8.891 32 H CYS 6 H CYS 6 9.731 -2.394 4.427 33 HA CYS 6 HA CYS 6 7.259 -3.374 3.992 34 HB2 CYS 6 2HB CYS 6 8.229 -4.510 2.089 35 HB3 CYS 6 1HB CYS 6 9.008 -2.959 2.299 36 H CYS 7 H CYS 7 6.244 -5.349 4.072 37 HA CYS 7 HA CYS 7 6.849 -7.198 6.079 38 HB2 CYS 7 2HB CYS 7 5.274 -7.718 3.553 39 HB3 CYS 7 1HB CYS 7 5.176 -8.634 5.050 40 H LEU 8 H LEU 8 8.240 -8.884 6.150 41 HA LEU 8 HA LEU 8 9.808 -9.477 3.784 42 HB2 LEU 8 2HB LEU 8 9.936 -10.626 6.571 43 HB3 LEU 8 1HB LEU 8 11.060 -11.004 5.276 44 HG LEU 8 HG LEU 8 10.677 -8.309 6.591 45 HD11 LEU 8 1HD1 LEU 8 12.996 -10.234 6.607 46 HD12 LEU 8 2HD1 LEU 8 11.901 -9.909 7.951 47 HD13 LEU 8 3HD1 LEU 8 12.969 -8.638 7.358 48 HD21 LEU 8 3HD2 LEU 8 12.571 -7.584 5.182 49 HD22 LEU 8 1HD2 LEU 8 11.139 -7.992 4.236 50 HD23 LEU 8 2HD2 LEU 8 12.493 -9.119 4.318 51 H GLY 9 H GLY 9 6.877 -10.385 4.859 52 HA2 GLY 9 2HA GLY 9 6.939 -12.733 3.115 53 HA3 GLY 9 1HA GLY 9 6.250 -12.909 4.726 54 H TYR 10 H TYR 10 5.183 -12.873 1.823 55 HA TYR 10 HA TYR 10 3.185 -10.744 2.092 56 HB2 TYR 10 2HB TYR 10 3.707 -12.619 -0.218 57 HB3 TYR 10 1HB TYR 10 2.557 -11.303 -0.216 58 HD1 TYR 10 1HD TYR 10 6.193 -11.976 0.160 59 HD2 TYR 10 2HD TYR 10 3.184 -9.212 -1.062 60 HE1 TYR 10 1HE TYR 10 7.924 -10.523 -0.800 61 HE2 TYR 10 2HE TYR 10 4.915 -7.754 -2.002 62 HH TYR 10 HH TYR 10 7.197 -7.320 -1.937 63 H THR 11 H THR 11 0.940 -11.492 1.178 64 HA THR 11 HA THR 11 0.210 -13.979 2.575 65 HB THR 11 HB THR 11 -0.704 -11.708 3.368 66 HG1 THR 11 1HG THR 11 -1.788 -13.332 4.255 67 HG21 THR 11 3HG2 THR 11 -2.703 -10.898 2.233 68 HG22 THR 11 1HG2 THR 11 -2.497 -12.113 0.971 69 HG23 THR 11 2HG2 THR 11 -1.306 -10.826 1.159 70 H ASP 12 H ASP 12 -0.981 -15.526 1.521 71 HA ASP 12 HA ASP 12 -1.391 -15.076 -1.356 72 HB2 ASP 12 2HB ASP 12 0.240 -16.870 -0.793 73 HB3 ASP 12 1HB ASP 12 -1.027 -17.718 0.085 74 H ARG 13 H ARG 13 -3.354 -13.992 -0.529 75 HA ARG 13 HA ARG 13 -5.552 -15.924 -0.157 76 HB2 ARG 13 2HB ARG 13 -5.300 -13.179 1.092 77 HB3 ARG 13 1HB ARG 13 -6.695 -14.236 1.220 78 HG2 ARG 13 2HG ARG 13 -3.970 -15.028 2.233 79 HG3 ARG 13 1HG ARG 13 -5.159 -14.180 3.220 80 HD2 ARG 13 2HD ARG 13 -5.376 -16.492 3.707 81 HD3 ARG 13 1HD ARG 13 -6.766 -16.042 2.724 82 HE ARG 13 HE ARG 13 -4.609 -17.082 1.150 83 HH11 ARG 13 1HH1 ARG 13 -7.288 -18.016 3.204 84 HH12 ARG 13 2HH1 ARG 13 -7.486 -19.570 2.458 85 HH21 ARG 13 1HH2 ARG 13 -4.841 -19.136 0.186 86 HH22 ARG 13 2HH2 ARG 13 -6.086 -20.218 0.745 87 H ILE 14 H ILE 14 -7.703 -14.585 -0.396 88 HA ILE 14 HA ILE 14 -7.471 -12.514 -2.477 89 HB ILE 14 HB ILE 14 -9.671 -14.561 -2.111 90 HG12 ILE 14 2HG1 ILE 14 -7.479 -15.001 -3.503 91 HG13 ILE 14 1HG1 ILE 14 -9.047 -15.516 -4.118 92 HG21 ILE 14 1HG2 ILE 14 -10.690 -12.402 -2.540 93 HG22 ILE 14 2HG2 ILE 14 -10.860 -13.448 -3.951 94 HG23 ILE 14 3HG2 ILE 14 -9.647 -12.167 -3.942 95 HD11 ILE 14 3HD1 ILE 14 -9.153 -13.417 -5.427 96 HD12 ILE 14 1HD1 ILE 14 -7.825 -14.489 -5.887 97 HD13 ILE 14 2HD1 ILE 14 -7.505 -13.063 -4.901 98 H LEU 15 H LEU 15 -7.365 -10.879 -0.870 99 HA LEU 15 HA LEU 15 -9.571 -10.679 1.025 100 HB2 LEU 15 2HB LEU 15 -7.109 -8.989 0.575 101 HB3 LEU 15 1HB LEU 15 -8.373 -8.534 1.705 102 HG LEU 15 HG LEU 15 -6.756 -9.506 3.061 103 HD11 LEU 15 1HD1 LEU 15 -8.933 -10.486 3.521 104 HD12 LEU 15 2HD1 LEU 15 -7.638 -11.642 3.832 105 HD13 LEU 15 3HD1 LEU 15 -8.606 -11.778 2.364 106 HD21 LEU 15 3HD2 LEU 15 -6.415 -11.651 0.973 107 HD22 LEU 15 1HD2 LEU 15 -5.577 -11.590 2.526 108 HD23 LEU 15 2HD2 LEU 15 -5.300 -10.330 1.324 109 H HIS 16 H HIS 16 -10.684 -8.469 1.154 110 HA HIS 16 HA HIS 16 -11.190 -7.561 -1.603 111 HB2 HIS 16 2HB HIS 16 -13.280 -8.311 0.438 112 HB3 HIS 16 1HB HIS 16 -13.605 -7.563 -1.118 113 HD1 HIS 16 1HD HIS 16 -14.979 -10.075 -0.612 114 HD2 HIS 16 2HD HIS 16 -11.137 -10.016 -2.184 115 HE1 HIS 16 1HE HIS 16 -14.735 -12.208 -1.806 116 HE2 HIS 16 2HE HIS 16 -12.501 -12.096 -2.959 117 HA PRO 17 HA PRO 17 -11.823 -3.412 0.076 118 HB2 PRO 17 2HB PRO 17 -14.284 -2.863 -1.107 119 HB3 PRO 17 1HB PRO 17 -12.712 -2.553 -1.851 120 HG2 PRO 17 2HG PRO 17 -14.593 -4.833 -2.263 121 HG3 PRO 17 1HG PRO 17 -13.561 -3.996 -3.438 122 HD2 PRO 17 2HD PRO 17 -12.912 -6.419 -2.454 123 HD3 PRO 17 1HD PRO 17 -11.671 -5.193 -2.820 124 H LYS 18 H LYS 18 -14.246 -5.897 -0.008 125 HA LYS 18 HA LYS 18 -16.099 -5.337 1.891 126 HB2 LYS 18 2HB LYS 18 -14.557 -7.901 1.448 127 HB3 LYS 18 1HB LYS 18 -15.980 -7.823 2.456 128 HG2 LYS 18 2HG LYS 18 -17.218 -7.007 0.410 129 HG3 LYS 18 1HG LYS 18 -15.783 -7.447 -0.507 130 HD2 LYS 18 2HD LYS 18 -15.968 -9.742 0.270 131 HD3 LYS 18 1HD LYS 18 -17.350 -9.311 1.274 132 HE2 LYS 18 2HE LYS 18 -17.229 -9.186 -1.736 133 HE3 LYS 18 1HE LYS 18 -18.047 -10.421 -0.783 134 HZ1 LYS 18 3HZ LYS 18 -18.765 -7.567 -1.087 135 HZ2 LYS 18 1HZ LYS 18 -19.361 -8.503 0.200 136 HZ3 LYS 18 2HZ LYS 18 -19.716 -8.934 -1.401 137 H PHE 19 H PHE 19 -12.700 -6.064 2.414 138 HA PHE 19 HA PHE 19 -13.130 -6.001 5.329 139 HB2 PHE 19 2HB PHE 19 -10.955 -7.430 3.794 140 HB3 PHE 19 1HB PHE 19 -11.204 -7.482 5.537 141 HD1 PHE 19 2HD PHE 19 -13.160 -8.641 6.471 142 HD2 PHE 19 1HD PHE 19 -12.235 -8.798 2.320 143 HE1 PHE 19 2HE PHE 19 -14.645 -10.584 6.216 144 HE2 PHE 19 1HE PHE 19 -13.724 -10.740 2.055 145 HZ PHE 19 HZ PHE 19 -14.933 -11.639 4.012 146 H ILE 20 H ILE 20 -11.716 -4.347 2.751 147 HA ILE 20 HA ILE 20 -9.350 -3.525 4.255 148 HB ILE 20 HB ILE 20 -10.178 -3.203 1.381 149 HG12 ILE 20 2HG1 ILE 20 -7.553 -4.265 2.351 150 HG13 ILE 20 1HG1 ILE 20 -8.990 -5.277 2.498 151 HG21 ILE 20 1HG2 ILE 20 -9.186 -1.077 2.050 152 HG22 ILE 20 2HG2 ILE 20 -8.115 -1.961 0.964 153 HG23 ILE 20 3HG2 ILE 20 -7.780 -1.927 2.694 154 HD11 ILE 20 3HD1 ILE 20 -7.933 -4.072 -0.043 155 HD12 ILE 20 1HD1 ILE 20 -9.343 -5.120 0.102 156 HD13 ILE 20 2HD1 ILE 20 -7.735 -5.747 0.470 157 H VAL 21 H VAL 21 -9.217 -1.666 5.315 158 HA VAL 21 HA VAL 21 -11.121 0.479 4.627 159 HB VAL 21 HB VAL 21 -11.009 1.188 7.031 160 HG11 VAL 21 1HG1 VAL 21 -12.602 -0.466 7.811 161 HG12 VAL 21 2HG1 VAL 21 -12.083 -1.589 6.555 162 HG13 VAL 21 3HG1 VAL 21 -12.899 -0.087 6.116 163 HG21 VAL 21 3HG2 VAL 21 -8.940 0.036 7.649 164 HG22 VAL 21 1HG2 VAL 21 -9.734 -1.524 7.410 165 HG23 VAL 21 2HG2 VAL 21 -10.274 -0.446 8.697 166 H GLY 22 H GLY 22 -7.939 -0.437 4.744 167 HA2 GLY 22 2HA GLY 22 -7.050 2.290 4.270 168 HA3 GLY 22 1HA GLY 22 -6.298 1.458 5.627 169 H PHE 23 H PHE 23 -4.769 2.319 3.456 170 HA PHE 23 HA PHE 23 -3.719 -0.189 2.437 171 HB2 PHE 23 2HB PHE 23 -5.205 -0.038 0.750 172 HB3 PHE 23 1HB PHE 23 -5.347 1.710 0.861 173 HD1 PHE 23 1HD PHE 23 -3.285 -1.052 -0.360 174 HD2 PHE 23 2HD PHE 23 -4.040 3.112 -0.390 175 HE1 PHE 23 1HE PHE 23 -1.778 -0.812 -2.279 176 HE2 PHE 23 2HE PHE 23 -2.549 3.373 -2.337 177 HZ PHE 23 HZ PHE 23 -1.415 1.391 -3.246 178 H THR 24 H THR 24 -1.619 -0.078 2.165 179 HA THR 24 HA THR 24 -0.310 2.509 1.770 180 HB THR 24 HB THR 24 0.534 0.521 3.891 181 HG1 THR 24 1HG THR 24 -0.335 3.206 4.265 182 HG21 THR 24 3HG2 THR 24 2.212 2.208 4.489 183 HG22 THR 24 1HG2 THR 24 1.695 3.205 3.131 184 HG23 THR 24 2HG2 THR 24 2.443 1.635 2.837 185 H ARG 25 H ARG 25 0.656 2.164 -0.170 186 HA ARG 25 HA ARG 25 1.745 -0.459 -0.790 187 HB2 ARG 25 2HB ARG 25 2.227 0.470 -3.021 188 HB3 ARG 25 1HB ARG 25 0.544 0.709 -2.576 189 HG2 ARG 25 2HG ARG 25 0.910 3.023 -2.148 190 HG3 ARG 25 1HG ARG 25 2.660 2.834 -2.292 191 HD2 ARG 25 2HD ARG 25 1.939 3.788 -4.330 192 HD3 ARG 25 1HD ARG 25 2.242 2.085 -4.673 193 HE ARG 25 HE ARG 25 -0.479 2.547 -3.984 194 HH11 ARG 25 1HH1 ARG 25 1.831 2.701 -6.610 195 HH12 ARG 25 2HH1 ARG 25 0.606 2.714 -7.846 196 HH21 ARG 25 1HH2 ARG 25 -2.090 2.535 -5.626 197 HH22 ARG 25 2HH2 ARG 25 -1.602 2.630 -7.293 198 H GLN 26 H GLN 26 3.615 -0.862 0.287 199 HA GLN 26 HA GLN 26 5.594 1.274 0.462 200 HB2 GLN 26 2HB GLN 26 6.797 -0.173 1.995 201 HB3 GLN 26 1HB GLN 26 5.134 -0.001 2.507 202 HG2 GLN 26 2HG GLN 26 4.775 -2.231 1.304 203 HG3 GLN 26 1HG GLN 26 6.533 -2.357 1.364 204 HE21 GLN 26 1HE2 GLN 26 4.593 -4.030 2.692 205 HE22 GLN 26 2HE2 GLN 26 4.912 -3.888 4.384 206 H LEU 27 H LEU 27 7.561 1.210 -0.534 207 HA LEU 27 HA LEU 27 7.727 -0.796 -2.685 208 HB2 LEU 27 2HB LEU 27 8.411 2.136 -2.841 209 HB3 LEU 27 1HB LEU 27 8.609 0.977 -4.140 210 HG LEU 27 HG LEU 27 5.979 1.822 -2.918 211 HD11 LEU 27 1HD1 LEU 27 6.980 3.571 -4.270 212 HD12 LEU 27 2HD1 LEU 27 5.580 2.877 -5.087 213 HD13 LEU 27 3HD1 LEU 27 7.210 2.437 -5.601 214 HD21 LEU 27 3HD2 LEU 27 5.933 -0.500 -3.661 215 HD22 LEU 27 1HD2 LEU 27 6.542 -0.017 -5.241 216 HD23 LEU 27 2HD2 LEU 27 4.948 0.526 -4.708 217 H ALA 28 H ALA 28 9.860 -0.995 -3.682 218 HA ALA 28 HA ALA 28 11.913 -1.314 -1.679 219 HB1 ALA 28 1HB ALA 28 13.110 -2.479 -3.452 220 HB2 ALA 28 2HB ALA 28 11.915 -1.937 -4.629 221 HB3 ALA 28 3HB ALA 28 11.444 -3.056 -3.349 222 H ASN 29 H ASN 29 11.216 1.378 -2.262 223 HA ASN 29 HA ASN 29 13.743 2.369 -3.387 224 HB2 ASN 29 2HB ASN 29 10.952 3.323 -4.042 225 HB3 ASN 29 1HB ASN 29 12.369 4.325 -4.314 226 HD21 ASN 29 1HD2 ASN 29 10.596 1.524 -5.334 227 HD22 ASN 29 2HD2 ASN 29 11.455 1.272 -6.816 228 H GLU 30 H GLU 30 10.812 3.237 -1.623 229 HA GLU 30 HA GLU 30 11.708 5.663 -0.581 230 HB2 GLU 30 2HB GLU 30 9.658 3.792 0.599 231 HB3 GLU 30 1HB GLU 30 9.784 5.523 0.881 232 HG2 GLU 30 2HG GLU 30 9.088 6.035 -1.303 233 HG3 GLU 30 1HG GLU 30 9.321 4.375 -1.854 234 H GLY 31 H GLY 31 11.812 2.382 0.787 235 HA2 GLY 31 2HA GLY 31 13.880 3.228 2.625 236 HA3 GLY 31 1HA GLY 31 12.359 2.806 3.396 237 H CYS 32 H CYS 32 11.471 0.608 2.566 238 HA CYS 32 HA CYS 32 13.388 -1.332 3.291 239 HB2 CYS 32 2HB CYS 32 10.825 -1.266 3.598 240 HB3 CYS 32 1HB CYS 32 10.797 -2.054 2.021 241 H ASP 33 H ASP 33 13.530 -3.423 2.018 242 HA ASP 33 HA ASP 33 14.806 -2.677 -0.482 243 HB2 ASP 33 2HB ASP 33 16.092 -3.931 1.186 244 HB3 ASP 33 1HB ASP 33 14.908 -5.231 1.144 245 H ILE 34 H ILE 34 12.049 -4.484 0.623 246 HA ILE 34 HA ILE 34 11.514 -5.155 -2.192 247 HB ILE 34 HB ILE 34 10.515 -7.171 -1.679 248 HG12 ILE 34 2HG1 ILE 34 10.266 -6.306 1.212 249 HG13 ILE 34 1HG1 ILE 34 8.957 -6.319 0.033 250 HG21 ILE 34 1HG2 ILE 34 12.921 -7.257 -1.198 251 HG22 ILE 34 2HG2 ILE 34 12.013 -8.405 -0.212 252 HG23 ILE 34 3HG2 ILE 34 12.588 -6.892 0.495 253 HD11 ILE 34 3HD1 ILE 34 9.167 -8.743 -0.163 254 HD12 ILE 34 1HD1 ILE 34 8.828 -8.240 1.494 255 HD13 ILE 34 2HD1 ILE 34 10.462 -8.722 1.035 256 H ASN 35 H ASN 35 9.028 -5.439 -2.520 257 HA ASN 35 HA ASN 35 7.757 -3.144 -1.186 258 HB2 ASN 35 2HB ASN 35 6.553 -2.735 -3.344 259 HB3 ASN 35 1HB ASN 35 8.294 -2.499 -3.441 260 HD21 ASN 35 1HD2 ASN 35 9.547 -3.971 -4.622 261 HD22 ASN 35 2HD2 ASN 35 8.832 -5.051 -5.769 262 H ALA 36 H ALA 36 5.882 -3.509 -0.190 263 HA ALA 36 HA ALA 36 4.277 -5.822 -1.067 264 HB1 ALA 36 1HB ALA 36 3.774 -6.398 1.240 265 HB2 ALA 36 2HB ALA 36 4.801 -5.084 1.815 266 HB3 ALA 36 3HB ALA 36 5.514 -6.451 0.959 267 H ILE 37 H ILE 37 2.062 -5.570 -0.962 268 HA ILE 37 HA ILE 37 1.172 -2.804 -0.744 269 HB ILE 37 HB ILE 37 -0.339 -5.261 -1.646 270 HG12 ILE 37 2HG1 ILE 37 1.517 -4.735 -3.147 271 HG13 ILE 37 1HG1 ILE 37 -0.021 -4.380 -3.920 272 HG21 ILE 37 1HG2 ILE 37 -1.860 -3.597 -0.838 273 HG22 ILE 37 2HG2 ILE 37 -1.935 -3.627 -2.600 274 HG23 ILE 37 3HG2 ILE 37 -1.052 -2.344 -1.776 275 HD11 ILE 37 3HD1 ILE 37 0.283 -2.011 -3.452 276 HD12 ILE 37 1HD1 ILE 37 1.619 -2.667 -4.396 277 HD13 ILE 37 2HD1 ILE 37 1.824 -2.368 -2.670 278 H ILE 38 H ILE 38 0.837 -2.253 1.376 279 HA ILE 38 HA ILE 38 -0.216 -4.180 3.245 280 HB ILE 38 HB ILE 38 0.203 -1.213 3.657 281 HG12 ILE 38 2HG1 ILE 38 2.010 -3.512 4.424 282 HG13 ILE 38 1HG1 ILE 38 2.294 -2.440 3.057 283 HG21 ILE 38 1HG2 ILE 38 0.191 -1.800 6.040 284 HG22 ILE 38 2HG2 ILE 38 -0.179 -3.472 5.615 285 HG23 ILE 38 3HG2 ILE 38 -1.337 -2.193 5.253 286 HD11 ILE 38 3HD1 ILE 38 2.210 -1.644 5.959 287 HD12 ILE 38 1HD1 ILE 38 2.442 -0.543 4.602 288 HD13 ILE 38 2HD1 ILE 38 3.647 -1.784 4.946 289 H PHE 39 H PHE 39 -2.321 -4.727 2.894 290 HA PHE 39 HA PHE 39 -4.265 -2.553 2.631 291 HB2 PHE 39 2HB PHE 39 -4.528 -5.551 2.418 292 HB3 PHE 39 1HB PHE 39 -5.932 -4.500 2.533 293 HD1 PHE 39 2HD PHE 39 -5.015 -2.226 0.789 294 HD2 PHE 39 1HD PHE 39 -4.724 -6.448 0.310 295 HE1 PHE 39 2HE PHE 39 -4.975 -1.945 -1.671 296 HE2 PHE 39 1HE PHE 39 -4.676 -6.172 -2.122 297 HZ PHE 39 HZ PHE 39 -4.798 -3.937 -3.106 298 H HIS 40 H HIS 40 -4.888 -1.650 4.458 299 HA HIS 40 HA HIS 40 -4.610 -3.064 6.978 300 HB2 HIS 40 2HB HIS 40 -5.776 -0.303 6.533 301 HB3 HIS 40 1HB HIS 40 -5.169 -0.970 8.043 302 HD1 HIS 40 1HD HIS 40 -2.892 -0.154 8.635 303 HD2 HIS 40 2HD HIS 40 -3.546 -0.114 4.533 304 HE1 HIS 40 1HE HIS 40 -0.792 0.790 7.604 305 HE2 HIS 40 2HE HIS 40 -1.349 1.083 5.179 306 H THR 41 H THR 41 -6.176 -4.443 7.537 307 HA THR 41 HA THR 41 -8.772 -4.207 6.291 308 HB THR 41 HB THR 41 -9.246 -6.374 7.442 309 HG1 THR 41 1HG THR 41 -7.301 -7.442 8.264 310 HG21 THR 41 3HG2 THR 41 -6.760 -6.270 5.735 311 HG22 THR 41 1HG2 THR 41 -8.421 -6.299 5.146 312 HG23 THR 41 2HG2 THR 41 -7.766 -7.691 6.007 313 H LYS 42 H LYS 42 -10.741 -4.479 7.475 314 HA LYS 42 HA LYS 42 -11.013 -2.742 9.705 315 HB2 LYS 42 2HB LYS 42 -12.754 -3.403 7.917 316 HB3 LYS 42 1HB LYS 42 -12.997 -4.859 8.870 317 HG2 LYS 42 2HG LYS 42 -13.707 -3.558 10.771 318 HG3 LYS 42 1HG LYS 42 -13.348 -2.058 9.914 319 HD2 LYS 42 2HD LYS 42 -15.429 -4.101 9.151 320 HD3 LYS 42 1HD LYS 42 -15.734 -2.516 9.863 321 HE2 LYS 42 2HE LYS 42 -14.636 -1.493 7.865 322 HE3 LYS 42 1HE LYS 42 -14.539 -3.107 7.159 323 HZ1 LYS 42 3HZ LYS 42 -17.005 -1.608 7.853 324 HZ2 LYS 42 1HZ LYS 42 -16.992 -3.234 7.368 325 HZ3 LYS 42 2HZ LYS 42 -16.460 -2.030 6.303 326 H LYS 43 H LYS 43 -9.678 -5.684 9.447 327 HA LYS 43 HA LYS 43 -10.573 -6.784 11.959 328 HB2 LYS 43 2HB LYS 43 -10.227 -8.216 9.954 329 HB3 LYS 43 1HB LYS 43 -8.524 -7.796 9.980 330 HG2 LYS 43 2HG LYS 43 -8.877 -10.000 10.897 331 HG3 LYS 43 1HG LYS 43 -8.286 -8.904 12.144 332 HD2 LYS 43 2HD LYS 43 -10.462 -8.701 13.103 333 HD3 LYS 43 1HD LYS 43 -11.200 -9.565 11.752 334 HE2 LYS 43 2HE LYS 43 -10.932 -10.946 13.808 335 HE3 LYS 43 1HE LYS 43 -10.117 -11.613 12.394 336 HZ1 LYS 43 3HZ LYS 43 -8.814 -10.058 14.568 337 HZ2 LYS 43 1HZ LYS 43 -8.037 -10.702 13.209 338 HZ3 LYS 43 2HZ LYS 43 -8.717 -11.737 14.358 339 H LYS 44 H LYS 44 -8.603 -4.414 11.104 340 HA LYS 44 HA LYS 44 -7.015 -3.194 12.144 341 HB2 LYS 44 2HB LYS 44 -7.179 -5.215 14.391 342 HB3 LYS 44 1HB LYS 44 -6.399 -3.640 14.465 343 HG2 LYS 44 2HG LYS 44 -9.338 -4.209 14.174 344 HG3 LYS 44 1HG LYS 44 -8.512 -3.509 15.565 345 HD2 LYS 44 2HD LYS 44 -7.872 -1.568 14.168 346 HD3 LYS 44 1HD LYS 44 -8.789 -2.260 12.830 347 HE2 LYS 44 2HE LYS 44 -10.811 -2.213 14.290 348 HE3 LYS 44 1HE LYS 44 -9.860 -1.343 15.493 349 HZ1 LYS 44 3HZ LYS 44 -10.721 -0.437 12.815 350 HZ2 LYS 44 1HZ LYS 44 -9.422 0.310 13.619 351 HZ3 LYS 44 2HZ LYS 44 -10.965 0.307 14.321 352 H LEU 45 H LEU 45 -6.461 -5.585 10.449 353 HA LEU 45 HA LEU 45 -3.708 -6.099 11.350 354 HB2 LEU 45 2HB LEU 45 -5.504 -7.796 9.620 355 HB3 LEU 45 1HB LEU 45 -3.812 -8.139 9.941 356 HG LEU 45 HG LEU 45 -6.003 -8.057 12.025 357 HD11 LEU 45 1HD1 LEU 45 -5.621 -10.490 12.136 358 HD12 LEU 45 2HD1 LEU 45 -4.531 -10.362 10.755 359 HD13 LEU 45 3HD1 LEU 45 -6.242 -9.976 10.567 360 HD21 LEU 45 3HD2 LEU 45 -4.286 -9.023 13.503 361 HD22 LEU 45 1HD2 LEU 45 -3.851 -7.402 12.958 362 HD23 LEU 45 2HD2 LEU 45 -3.086 -8.813 12.229 363 H SER 46 H SER 46 -2.060 -5.664 9.996 364 HA SER 46 HA SER 46 -2.678 -4.337 7.493 365 HB2 SER 46 2HB SER 46 -0.145 -4.009 7.467 366 HB3 SER 46 1HB SER 46 -1.027 -3.209 8.770 367 HG SER 46 HG SER 46 0.355 -5.688 8.942 368 H VAL 47 H VAL 47 -3.310 -5.884 6.072 369 HA VAL 47 HA VAL 47 -1.978 -8.419 5.881 370 HB VAL 47 HB VAL 47 -4.003 -7.159 4.015 371 HG11 VAL 47 1HG1 VAL 47 -2.716 -8.967 2.958 372 HG12 VAL 47 2HG1 VAL 47 -4.404 -9.410 3.200 373 HG13 VAL 47 3HG1 VAL 47 -3.167 -10.045 4.281 374 HG21 VAL 47 3HG2 VAL 47 -4.905 -7.411 6.250 375 HG22 VAL 47 1HG2 VAL 47 -4.371 -9.089 6.300 376 HG23 VAL 47 2HG2 VAL 47 -5.632 -8.601 5.168 377 H CYS 48 H CYS 48 -0.338 -8.984 4.531 378 HA CYS 48 HA CYS 48 0.870 -6.791 3.040 379 HB2 CYS 48 2HB CYS 48 2.018 -9.512 3.679 380 HB3 CYS 48 1HB CYS 48 2.897 -8.120 3.043 381 H ALA 49 H ALA 49 -0.589 -6.782 1.372 382 HA ALA 49 HA ALA 49 -1.256 -9.079 -0.152 383 HB1 ALA 49 1HB ALA 49 -2.732 -7.141 0.034 384 HB2 ALA 49 2HB ALA 49 -2.323 -7.450 -1.654 385 HB3 ALA 49 3HB ALA 49 -1.533 -6.134 -0.778 386 H ASN 50 H ASN 50 -0.554 -9.696 -2.177 387 HA ASN 50 HA ASN 50 2.195 -9.006 -2.760 388 HB2 ASN 50 2HB ASN 50 0.311 -10.925 -4.165 389 HB3 ASN 50 1HB ASN 50 2.026 -10.747 -4.515 390 HD21 ASN 50 1HD2 ASN 50 0.634 -10.725 -1.279 391 HD22 ASN 50 2HD2 ASN 50 1.313 -12.243 -0.804 392 HA PRO 51 HA PRO 51 0.944 -6.110 -5.933 393 HB2 PRO 51 2HB PRO 51 3.775 -6.103 -6.674 394 HB3 PRO 51 1HB PRO 51 2.781 -4.782 -6.058 395 HG2 PRO 51 2HG PRO 51 4.728 -5.930 -4.579 396 HG3 PRO 51 1HG PRO 51 3.245 -5.278 -3.858 397 HD2 PRO 51 2HD PRO 51 3.964 -8.118 -4.478 398 HD3 PRO 51 1HD PRO 51 3.152 -7.448 -3.043 399 H LYS 52 H LYS 52 1.182 -9.144 -6.270 400 HA LYS 52 HA LYS 52 2.003 -9.247 -9.101 401 HB2 LYS 52 2HB LYS 52 2.309 -11.263 -6.875 402 HB3 LYS 52 1HB LYS 52 2.488 -11.697 -8.574 403 HG2 LYS 52 2HG LYS 52 4.271 -9.895 -8.702 404 HG3 LYS 52 1HG LYS 52 4.199 -9.842 -6.941 405 HD2 LYS 52 2HD LYS 52 4.688 -12.378 -8.480 406 HD3 LYS 52 1HD LYS 52 5.991 -11.317 -7.951 407 HE2 LYS 52 2HE LYS 52 3.952 -12.527 -6.090 408 HE3 LYS 52 1HE LYS 52 5.518 -13.259 -6.437 409 HZ1 LYS 52 3HZ LYS 52 4.977 -10.687 -5.075 410 HZ2 LYS 52 1HZ LYS 52 6.507 -11.085 -5.683 411 HZ3 LYS 52 2HZ LYS 52 5.797 -12.039 -4.472 412 H GLN 53 H GLN 53 -0.645 -9.363 -7.144 413 HA GLN 53 HA GLN 53 -1.969 -11.458 -8.733 414 HB2 GLN 53 2HB GLN 53 -3.467 -11.533 -6.564 415 HB3 GLN 53 1HB GLN 53 -1.943 -12.414 -6.649 416 HG2 GLN 53 2HG GLN 53 -0.855 -10.403 -5.593 417 HG3 GLN 53 1HG GLN 53 -2.481 -9.789 -5.298 418 HE21 GLN 53 1HE2 GLN 53 -2.202 -9.830 -3.091 419 HE22 GLN 53 2HE2 GLN 53 -2.175 -11.313 -2.193 420 H THR 54 H THR 54 -4.133 -11.165 -9.311 421 HA THR 54 HA THR 54 -4.616 -8.526 -10.221 422 HB THR 54 HB THR 54 -6.882 -9.674 -10.900 423 HG1 THR 54 1HG THR 54 -6.443 -11.991 -11.119 424 HG21 THR 54 3HG2 THR 54 -5.746 -10.604 -12.878 425 HG22 THR 54 1HG2 THR 54 -4.193 -10.402 -12.065 426 HG23 THR 54 2HG2 THR 54 -5.169 -8.988 -12.471 427 H TRP 55 H TRP 55 -6.140 -10.487 -7.670 428 HA TRP 55 HA TRP 55 -8.269 -8.730 -7.182 429 HB2 TRP 55 2HB TRP 55 -8.601 -9.800 -5.104 430 HB3 TRP 55 1HB TRP 55 -8.080 -11.034 -6.236 431 HD1 TRP 55 HD TRP 55 -5.697 -12.100 -5.780 432 HE1 TRP 55 1HE TRP 55 -4.205 -12.162 -3.758 433 HE3 TRP 55 3HE TRP 55 -7.883 -8.440 -3.251 434 HZ2 TRP 55 2HZ TRP 55 -3.977 -10.755 -1.288 435 HZ3 TRP 55 3HZ TRP 55 -7.030 -7.828 -1.135 436 HH2 TRP 55 HH TRP 55 -5.136 -8.930 -0.107 437 H VAL 56 H VAL 56 -4.958 -8.673 -6.256 438 HA VAL 56 HA VAL 56 -5.195 -6.433 -4.511 439 HB VAL 56 HB VAL 56 -2.884 -7.816 -5.830 440 HG11 VAL 56 1HG1 VAL 56 -1.366 -6.290 -4.652 441 HG12 VAL 56 2HG1 VAL 56 -2.744 -5.280 -4.215 442 HG13 VAL 56 3HG1 VAL 56 -2.296 -5.480 -5.909 443 HG21 VAL 56 3HG2 VAL 56 -3.855 -8.834 -3.860 444 HG22 VAL 56 1HG2 VAL 56 -3.656 -7.328 -2.966 445 HG23 VAL 56 2HG2 VAL 56 -2.236 -8.225 -3.508 446 H LYS 57 H LYS 57 -4.133 -6.871 -7.885 447 HA LYS 57 HA LYS 57 -3.565 -4.205 -8.467 448 HB2 LYS 57 2HB LYS 57 -4.679 -6.313 -10.324 449 HB3 LYS 57 1HB LYS 57 -3.895 -4.822 -10.827 450 HG2 LYS 57 2HG LYS 57 -1.844 -5.614 -9.615 451 HG3 LYS 57 1HG LYS 57 -2.653 -7.172 -9.427 452 HD2 LYS 57 2HD LYS 57 -2.919 -7.270 -11.892 453 HD3 LYS 57 1HD LYS 57 -1.972 -5.787 -12.019 454 HE2 LYS 57 2HE LYS 57 -0.143 -7.007 -10.769 455 HE3 LYS 57 1HE LYS 57 -1.079 -8.481 -11.018 456 HZ1 LYS 57 3HZ LYS 57 -1.001 -7.904 -13.460 457 HZ2 LYS 57 1HZ LYS 57 0.474 -8.382 -12.763 458 HZ3 LYS 57 2HZ LYS 57 0.168 -6.741 -13.062 459 H TYR 58 H TYR 58 -6.624 -5.943 -8.439 460 HA TYR 58 HA TYR 58 -8.203 -3.896 -9.552 461 HB2 TYR 58 2HB TYR 58 -9.246 -5.980 -9.497 462 HB3 TYR 58 1HB TYR 58 -8.765 -6.287 -7.833 463 HD1 TYR 58 1HD TYR 58 -10.899 -3.947 -9.819 464 HD2 TYR 58 2HD TYR 58 -10.341 -6.070 -6.178 465 HE1 TYR 58 1HE TYR 58 -13.081 -3.148 -9.022 466 HE2 TYR 58 2HE TYR 58 -12.517 -5.285 -5.372 467 HH TYR 58 HH TYR 58 -14.817 -3.885 -7.380 468 H ILE 59 H ILE 59 -7.591 -4.801 -6.160 469 HA ILE 59 HA ILE 59 -9.188 -2.747 -5.079 470 HB ILE 59 HB ILE 59 -6.958 -4.277 -3.737 471 HG12 ILE 59 2HG1 ILE 59 -9.954 -4.745 -3.735 472 HG13 ILE 59 1HG1 ILE 59 -8.790 -5.678 -4.662 473 HG21 ILE 59 1HG2 ILE 59 -9.215 -2.638 -2.593 474 HG22 ILE 59 2HG2 ILE 59 -7.497 -2.239 -2.533 475 HG23 ILE 59 3HG2 ILE 59 -8.113 -3.642 -1.656 476 HD11 ILE 59 3HD1 ILE 59 -7.753 -6.446 -2.601 477 HD12 ILE 59 1HD1 ILE 59 -9.466 -6.857 -2.667 478 HD13 ILE 59 2HD1 ILE 59 -8.923 -5.506 -1.672 479 H VAL 60 H VAL 60 -5.684 -2.966 -5.638 480 HA VAL 60 HA VAL 60 -5.089 -0.502 -4.373 481 HB VAL 60 HB VAL 60 -3.350 -2.201 -4.734 482 HG11 VAL 60 1HG1 VAL 60 -2.308 -2.490 -6.932 483 HG12 VAL 60 2HG1 VAL 60 -3.514 -1.426 -7.652 484 HG13 VAL 60 3HG1 VAL 60 -4.003 -2.975 -6.967 485 HG21 VAL 60 3HG2 VAL 60 -2.772 0.441 -6.069 486 HG22 VAL 60 1HG2 VAL 60 -1.557 -0.698 -5.489 487 HG23 VAL 60 2HG2 VAL 60 -2.653 0.080 -4.346 488 H ARG 61 H ARG 61 -5.974 -1.318 -7.703 489 HA ARG 61 HA ARG 61 -5.484 1.218 -8.843 490 HB2 ARG 61 2HB ARG 61 -5.971 -0.817 -10.176 491 HB3 ARG 61 1HB ARG 61 -7.622 -0.807 -9.579 492 HG2 ARG 61 2HG ARG 61 -6.632 1.630 -10.953 493 HG3 ARG 61 1HG ARG 61 -6.962 0.202 -11.934 494 HD2 ARG 61 2HD ARG 61 -8.935 1.407 -9.997 495 HD3 ARG 61 1HD ARG 61 -8.883 1.803 -11.714 496 HE ARG 61 HE ARG 61 -9.055 -0.965 -11.539 497 HH11 ARG 61 1HH1 ARG 61 -11.042 1.815 -10.698 498 HH12 ARG 61 2HH1 ARG 61 -12.542 0.944 -10.874 499 HH21 ARG 61 1HH2 ARG 61 -11.019 -2.088 -11.772 500 HH22 ARG 61 2HH2 ARG 61 -12.525 -1.278 -11.468 501 H LEU 62 H LEU 62 -8.278 -0.168 -7.221 502 HA LEU 62 HA LEU 62 -9.991 2.069 -7.476 503 HB2 LEU 62 2HB LEU 62 -10.569 -0.336 -6.877 504 HB3 LEU 62 1HB LEU 62 -9.988 0.021 -5.264 505 HG LEU 62 HG LEU 62 -11.726 1.805 -5.088 506 HD11 LEU 62 1HD1 LEU 62 -12.076 2.265 -7.441 507 HD12 LEU 62 2HD1 LEU 62 -13.588 1.726 -6.710 508 HD13 LEU 62 3HD1 LEU 62 -12.647 0.616 -7.706 509 HD21 LEU 62 3HD2 LEU 62 -12.715 -0.982 -5.680 510 HD22 LEU 62 1HD2 LEU 62 -13.580 0.247 -4.757 511 HD23 LEU 62 2HD2 LEU 62 -12.067 -0.417 -4.138 512 H LEU 63 H LEU 63 -7.666 1.045 -5.047 513 HA LEU 63 HA LEU 63 -8.282 3.131 -3.208 514 HB2 LEU 63 2HB LEU 63 -6.121 1.071 -3.353 515 HB3 LEU 63 1HB LEU 63 -6.151 2.287 -2.086 516 HG LEU 63 HG LEU 63 -8.390 0.336 -2.634 517 HD11 LEU 63 1HD1 LEU 63 -6.381 -0.799 -1.838 518 HD12 LEU 63 2HD1 LEU 63 -7.670 -0.824 -0.636 519 HD13 LEU 63 3HD1 LEU 63 -6.315 0.293 -0.456 520 HD21 LEU 63 3HD2 LEU 63 -9.246 1.086 -0.475 521 HD22 LEU 63 1HD2 LEU 63 -9.138 2.418 -1.628 522 HD23 LEU 63 2HD2 LEU 63 -7.925 2.251 -0.358 523 H SER 64 H SER 64 -6.534 3.152 -6.070 524 HA SER 64 HA SER 64 -4.813 5.324 -5.138 525 HB2 SER 64 2HB SER 64 -3.688 5.122 -7.338 526 HB3 SER 64 1HB SER 64 -3.688 3.611 -6.433 527 HG SER 64 HG SER 64 -5.849 3.483 -7.850 528 H LYS 65 H LYS 65 -7.878 5.044 -6.391 529 HA LYS 65 HA LYS 65 -7.680 7.736 -7.545 530 HB2 LYS 65 2HB LYS 65 -7.808 5.869 -9.286 531 HB3 LYS 65 1HB LYS 65 -9.459 5.623 -8.740 532 HG2 LYS 65 2HG LYS 65 -10.075 7.842 -9.406 533 HG3 LYS 65 1HG LYS 65 -8.399 8.235 -9.795 534 HD2 LYS 65 2HD LYS 65 -8.418 6.516 -11.546 535 HD3 LYS 65 1HD LYS 65 -10.101 6.154 -11.163 536 HE2 LYS 65 2HE LYS 65 -9.051 8.805 -12.154 537 HE3 LYS 65 1HE LYS 65 -9.894 7.605 -13.135 538 HZ1 LYS 65 3HZ LYS 65 -10.991 9.198 -10.879 539 HZ2 LYS 65 1HZ LYS 65 -11.801 7.863 -11.548 540 HZ3 LYS 65 2HZ LYS 65 -11.472 9.224 -12.503 541 H LYS 66 H LYS 66 -8.863 6.083 -5.099 542 HA LYS 66 HA LYS 66 -11.279 7.765 -4.966 543 HB2 LYS 66 2HB LYS 66 -10.794 5.013 -3.868 544 HB3 LYS 66 1HB LYS 66 -12.024 6.063 -3.180 545 HG2 LYS 66 2HG LYS 66 -13.080 6.226 -5.402 546 HG3 LYS 66 1HG LYS 66 -11.886 5.083 -6.023 547 HD2 LYS 66 2HD LYS 66 -13.960 3.939 -5.472 548 HD3 LYS 66 1HD LYS 66 -12.660 3.413 -4.402 549 HE2 LYS 66 2HE LYS 66 -14.672 3.744 -3.117 550 HE3 LYS 66 1HE LYS 66 -13.491 4.976 -2.681 551 HZ1 LYS 66 3HZ LYS 66 -14.647 6.589 -3.966 552 HZ2 LYS 66 1HZ LYS 66 -15.794 5.806 -2.988 553 HZ3 LYS 66 2HZ LYS 66 -15.677 5.418 -4.635 554 H VAL 67 H VAL 67 -8.337 8.018 -4.148 555 HA VAL 67 HA VAL 67 -8.825 8.835 -1.363 556 HB VAL 67 HB VAL 67 -6.343 8.863 -1.113 557 HG11 VAL 67 1HG1 VAL 67 -7.612 6.909 -0.401 558 HG12 VAL 67 2HG1 VAL 67 -6.043 6.429 -1.051 559 HG13 VAL 67 3HG1 VAL 67 -7.501 6.231 -2.025 560 HG21 VAL 67 3HG2 VAL 67 -5.717 9.198 -3.444 561 HG22 VAL 67 1HG2 VAL 67 -6.368 7.614 -3.865 562 HG23 VAL 67 2HG2 VAL 67 -4.961 7.736 -2.808 563 H LYS 68 H LYS 68 -8.377 10.951 -0.760 564 HA LYS 68 HA LYS 68 -8.517 12.858 -2.887 565 HB2 LYS 68 2HB LYS 68 -9.674 13.088 -0.639 566 HB3 LYS 68 1HB LYS 68 -8.098 13.487 0.033 567 HG2 LYS 68 2HG LYS 68 -7.937 15.360 -1.585 568 HG3 LYS 68 1HG LYS 68 -9.582 14.998 -2.108 569 HD2 LYS 68 2HD LYS 68 -9.777 16.763 -0.557 570 HD3 LYS 68 1HD LYS 68 -10.260 15.309 0.317 571 HE2 LYS 68 2HE LYS 68 -8.069 15.167 1.353 572 HE3 LYS 68 1HE LYS 68 -7.519 16.564 0.424 573 HZ1 LYS 68 3HZ LYS 68 -8.147 17.171 2.683 574 HZ2 LYS 68 1HZ LYS 68 -9.715 16.584 2.422 575 HZ3 LYS 68 2HZ LYS 68 -9.159 17.927 1.551 576 H ASN 69 H ASN 69 -6.795 13.292 -4.036 577 HA ASN 69 HA ASN 69 -4.171 13.440 -2.742 578 HB2 ASN 69 2HB ASN 69 -3.301 13.568 -5.098 579 HB3 ASN 69 1HB ASN 69 -4.177 12.088 -4.735 580 HD21 ASN 69 1HD2 ASN 69 -6.190 11.745 -5.634 581 HD22 ASN 69 2HD2 ASN 69 -6.745 12.635 -7.006 582 H MET 70 H MET 70 -6.707 15.408 -3.600 583 HA MET 70 HA MET 70 -5.111 17.790 -3.247 584 HB2 MET 70 2HB MET 70 -5.046 17.454 -5.689 585 HB3 MET 70 1HB MET 70 -6.797 17.376 -5.724 586 HG2 MET 70 2HG MET 70 -6.937 19.689 -4.994 587 HG3 MET 70 1HG MET 70 -5.177 19.778 -4.916 588 HE1 MET 70 3HE MET 70 -3.594 19.694 -7.022 589 HE2 MET 70 1HE MET 70 -4.163 19.388 -8.666 590 HE3 MET 70 2HE MET 70 -4.281 18.124 -7.442 Start of MODEL 4 1 H1 ALA 1 1HT ALA 1 10.725 8.618 0.902 2 H2 ALA 1 2HT ALA 1 11.550 10.092 1.035 3 H3 ALA 1 3HT ALA 1 10.600 9.539 2.324 4 HA ALA 1 HA ALA 1 13.097 8.308 1.311 5 HB1 ALA 1 1HB ALA 1 13.992 8.923 3.521 6 HB2 ALA 1 2HB ALA 1 12.474 9.736 3.893 7 HB3 ALA 1 3HB ALA 1 13.497 10.334 2.588 8 H SER 2 H SER 2 13.884 6.647 2.983 9 HA SER 2 HA SER 2 11.810 4.677 3.162 10 HB2 SER 2 2HB SER 2 14.526 4.342 4.398 11 HB3 SER 2 1HB SER 2 13.516 3.141 3.582 12 HG SER 2 HG SER 2 15.481 4.325 2.504 13 H ASN 3 H ASN 3 10.342 5.605 4.666 14 HA ASN 3 HA ASN 3 11.120 6.026 7.403 15 HB2 ASN 3 2HB ASN 3 8.391 5.688 6.143 16 HB3 ASN 3 1HB ASN 3 8.655 6.100 7.833 17 HD21 ASN 3 1HD2 ASN 3 10.968 7.789 7.190 18 HD22 ASN 3 2HD2 ASN 3 10.307 9.248 6.530 19 H PHE 4 H PHE 4 9.703 3.494 5.496 20 HA PHE 4 HA PHE 4 10.400 1.567 7.596 21 HB2 PHE 4 2HB PHE 4 8.460 0.168 6.758 22 HB3 PHE 4 1HB PHE 4 8.016 1.588 7.666 23 HD1 PHE 4 1HD PHE 4 9.031 1.466 4.104 24 HD2 PHE 4 2HD PHE 4 5.848 1.960 6.882 25 HE1 PHE 4 1HE PHE 4 7.540 2.096 2.265 26 HE2 PHE 4 2HE PHE 4 4.350 2.602 5.042 27 HZ PHE 4 HZ PHE 4 5.193 2.651 2.728 28 H ASP 5 H ASP 5 9.987 -0.723 6.244 29 HA ASP 5 HA ASP 5 11.495 -0.403 3.767 30 HB2 ASP 5 2HB ASP 5 11.323 -2.746 5.649 31 HB3 ASP 5 1HB ASP 5 12.045 -2.848 4.049 32 H CYS 6 H CYS 6 10.082 -3.303 4.431 33 HA CYS 6 HA CYS 6 7.749 -2.929 2.754 34 HB2 CYS 6 2HB CYS 6 8.525 -4.979 1.462 35 HB3 CYS 6 1HB CYS 6 9.478 -3.527 1.189 36 H CYS 7 H CYS 7 7.073 -5.647 2.539 37 HA CYS 7 HA CYS 7 7.088 -6.631 5.312 38 HB2 CYS 7 2HB CYS 7 5.350 -7.395 2.957 39 HB3 CYS 7 1HB CYS 7 5.361 -8.275 4.477 40 H LEU 8 H LEU 8 8.518 -8.206 5.777 41 HA LEU 8 HA LEU 8 10.103 -9.432 3.755 42 HB2 LEU 8 2HB LEU 8 9.700 -10.199 6.652 43 HB3 LEU 8 1HB LEU 8 10.930 -10.871 5.600 44 HG LEU 8 HG LEU 8 10.738 -7.982 6.461 45 HD11 LEU 8 1HD1 LEU 8 12.680 -10.156 7.225 46 HD12 LEU 8 2HD1 LEU 8 11.436 -9.456 8.262 47 HD13 LEU 8 3HD1 LEU 8 12.782 -8.463 7.707 48 HD21 LEU 8 3HD2 LEU 8 12.894 -7.702 5.355 49 HD22 LEU 8 1HD2 LEU 8 11.656 -8.208 4.205 50 HD23 LEU 8 2HD2 LEU 8 12.836 -9.375 4.799 51 H GLY 9 H GLY 9 7.129 -10.203 5.337 52 HA2 GLY 9 2HA GLY 9 6.886 -12.565 3.588 53 HA3 GLY 9 1HA GLY 9 6.296 -12.576 5.245 54 H TYR 10 H TYR 10 5.092 -12.666 2.399 55 HA TYR 10 HA TYR 10 3.146 -10.479 2.688 56 HB2 TYR 10 2HB TYR 10 3.656 -12.397 0.408 57 HB3 TYR 10 1HB TYR 10 2.449 -11.128 0.399 58 HD1 TYR 10 2HD TYR 10 6.132 -11.481 0.969 59 HD2 TYR 10 1HD TYR 10 2.980 -9.178 -0.759 60 HE1 TYR 10 2HE TYR 10 7.785 -9.976 -0.045 61 HE2 TYR 10 1HE TYR 10 4.636 -7.689 -1.773 62 HH TYR 10 HH TYR 10 6.859 -7.025 -1.638 63 H THR 11 H THR 11 1.033 -11.730 1.297 64 HA THR 11 HA THR 11 0.364 -14.055 2.971 65 HB THR 11 HB THR 11 -0.799 -11.886 3.644 66 HG1 THR 11 1HG THR 11 -1.805 -13.620 4.430 67 HG21 THR 11 3HG2 THR 11 -2.756 -11.229 2.312 68 HG22 THR 11 1HG2 THR 11 -2.304 -12.399 1.072 69 HG23 THR 11 2HG2 THR 11 -1.262 -11.016 1.400 70 H ASP 12 H ASP 12 -1.246 -15.497 1.977 71 HA ASP 12 HA ASP 12 -1.286 -15.321 -0.963 72 HB2 ASP 12 2HB ASP 12 -0.754 -17.637 0.844 73 HB3 ASP 12 1HB ASP 12 -1.650 -17.949 -0.639 74 H ARG 13 H ARG 13 -3.270 -14.035 -0.412 75 HA ARG 13 HA ARG 13 -5.571 -15.845 -0.082 76 HB2 ARG 13 2HB ARG 13 -5.352 -13.064 1.085 77 HB3 ARG 13 1HB ARG 13 -6.756 -14.112 1.174 78 HG2 ARG 13 2HG ARG 13 -4.087 -14.553 2.501 79 HG3 ARG 13 1HG ARG 13 -5.622 -14.173 3.281 80 HD2 ARG 13 2HD ARG 13 -4.906 -16.701 1.809 81 HD3 ARG 13 1HD ARG 13 -5.147 -16.518 3.543 82 HE ARG 13 HE ARG 13 -7.342 -16.080 1.621 83 HH11 ARG 13 1HH1 ARG 13 -6.027 -17.623 4.483 84 HH12 ARG 13 2HH1 ARG 13 -7.531 -18.391 4.910 85 HH21 ARG 13 1HH2 ARG 13 -9.320 -17.050 2.195 86 HH22 ARG 13 2HH2 ARG 13 -9.418 -18.043 3.622 87 H ILE 14 H ILE 14 -7.622 -14.782 -0.711 88 HA ILE 14 HA ILE 14 -7.315 -12.600 -2.667 89 HB ILE 14 HB ILE 14 -9.356 -14.820 -2.548 90 HG12 ILE 14 2HG1 ILE 14 -7.047 -14.966 -3.801 91 HG13 ILE 14 1HG1 ILE 14 -8.516 -15.602 -4.537 92 HG21 ILE 14 1HG2 ILE 14 -10.575 -13.752 -4.346 93 HG22 ILE 14 2HG2 ILE 14 -9.448 -12.397 -4.333 94 HG23 ILE 14 3HG2 ILE 14 -10.499 -12.680 -2.947 95 HD11 ILE 14 3HD1 ILE 14 -8.755 -13.473 -5.775 96 HD12 ILE 14 1HD1 ILE 14 -7.290 -14.371 -6.182 97 HD13 ILE 14 2HD1 ILE 14 -7.195 -12.963 -5.123 98 H LEU 15 H LEU 15 -7.449 -11.018 -1.020 99 HA LEU 15 HA LEU 15 -9.899 -10.960 0.576 100 HB2 LEU 15 2HB LEU 15 -7.549 -9.054 0.565 101 HB3 LEU 15 1HB LEU 15 -8.957 -8.894 1.592 102 HG LEU 15 HG LEU 15 -7.436 -9.821 3.034 103 HD11 LEU 15 1HD1 LEU 15 -9.409 -11.193 3.074 104 HD12 LEU 15 2HD1 LEU 15 -7.986 -12.197 3.350 105 HD13 LEU 15 3HD1 LEU 15 -8.779 -12.205 1.774 106 HD21 LEU 15 3HD2 LEU 15 -5.623 -10.106 1.493 107 HD22 LEU 15 1HD2 LEU 15 -6.410 -11.502 0.758 108 HD23 LEU 15 2HD2 LEU 15 -5.827 -11.591 2.423 109 H HIS 16 H HIS 16 -11.107 -8.841 0.619 110 HA HIS 16 HA HIS 16 -11.123 -7.644 -2.075 111 HB2 HIS 16 2HB HIS 16 -13.585 -8.419 -0.503 112 HB3 HIS 16 1HB HIS 16 -13.558 -7.681 -2.095 113 HD1 HIS 16 1HD HIS 16 -15.132 -10.091 -1.940 114 HD2 HIS 16 2HD HIS 16 -11.030 -10.279 -2.554 115 HE1 HIS 16 1HE HIS 16 -14.701 -12.344 -2.843 116 HE2 HIS 16 2HE HIS 16 -12.266 -12.373 -3.472 117 HA PRO 17 HA PRO 17 -12.046 -3.718 -0.018 118 HB2 PRO 17 2HB PRO 17 -14.511 -3.063 -1.132 119 HB3 PRO 17 1HB PRO 17 -12.942 -2.654 -1.831 120 HG2 PRO 17 2HG PRO 17 -14.803 -4.880 -2.513 121 HG3 PRO 17 1HG PRO 17 -13.772 -3.906 -3.579 122 HD2 PRO 17 2HD PRO 17 -13.130 -6.432 -2.868 123 HD3 PRO 17 1HD PRO 17 -11.893 -5.174 -3.124 124 H LYS 18 H LYS 18 -14.282 -6.318 -0.301 125 HA LYS 18 HA LYS 18 -16.215 -6.017 1.577 126 HB2 LYS 18 2HB LYS 18 -14.501 -8.372 0.803 127 HB3 LYS 18 1HB LYS 18 -15.728 -8.564 2.031 128 HG2 LYS 18 2HG LYS 18 -17.445 -7.925 0.450 129 HG3 LYS 18 1HG LYS 18 -16.223 -7.633 -0.781 130 HD2 LYS 18 2HD LYS 18 -17.237 -9.781 -1.152 131 HD3 LYS 18 1HD LYS 18 -15.570 -10.006 -0.628 132 HE2 LYS 18 2HE LYS 18 -16.904 -11.614 0.506 133 HE3 LYS 18 1HE LYS 18 -16.436 -10.390 1.688 134 HZ1 LYS 18 3HZ LYS 18 -18.823 -11.114 1.740 135 HZ2 LYS 18 1HZ LYS 18 -19.027 -10.335 0.251 136 HZ3 LYS 18 2HZ LYS 18 -18.581 -9.443 1.626 137 H PHE 19 H PHE 19 -12.764 -6.411 2.192 138 HA PHE 19 HA PHE 19 -13.337 -6.402 5.088 139 HB2 PHE 19 2HB PHE 19 -11.082 -7.848 3.690 140 HB3 PHE 19 1HB PHE 19 -11.364 -7.813 5.431 141 HD1 PHE 19 1HD PHE 19 -13.607 -8.764 6.268 142 HD2 PHE 19 2HD PHE 19 -12.035 -9.512 2.382 143 HE1 PHE 19 1HE PHE 19 -15.057 -10.740 6.063 144 HE2 PHE 19 2HE PHE 19 -13.480 -11.484 2.171 145 HZ PHE 19 HZ PHE 19 -15.001 -12.106 4.011 146 H ILE 20 H ILE 20 -12.019 -4.614 2.648 147 HA ILE 20 HA ILE 20 -9.697 -3.724 4.216 148 HB ILE 20 HB ILE 20 -10.364 -3.503 1.292 149 HG12 ILE 20 2HG1 ILE 20 -7.749 -4.389 2.422 150 HG13 ILE 20 1HG1 ILE 20 -9.126 -5.479 2.561 151 HG21 ILE 20 1HG2 ILE 20 -8.337 -2.168 0.976 152 HG22 ILE 20 2HG2 ILE 20 -8.128 -2.073 2.725 153 HG23 ILE 20 3HG2 ILE 20 -9.525 -1.314 1.961 154 HD11 ILE 20 3HD1 ILE 20 -9.385 -5.439 0.142 155 HD12 ILE 20 1HD1 ILE 20 -7.770 -5.970 0.613 156 HD13 ILE 20 2HD1 ILE 20 -8.020 -4.331 0.016 157 H VAL 21 H VAL 21 -9.656 -1.836 5.213 158 HA VAL 21 HA VAL 21 -11.630 0.213 4.436 159 HB VAL 21 HB VAL 21 -11.555 1.017 6.803 160 HG11 VAL 21 1HG1 VAL 21 -13.022 -0.745 7.687 161 HG12 VAL 21 2HG1 VAL 21 -12.511 -1.812 6.380 162 HG13 VAL 21 3HG1 VAL 21 -13.405 -0.337 6.013 163 HG21 VAL 21 3HG2 VAL 21 -9.438 0.033 7.501 164 HG22 VAL 21 1HG2 VAL 21 -10.104 -1.589 7.295 165 HG23 VAL 21 2HG2 VAL 21 -10.746 -0.524 8.545 166 H GLY 22 H GLY 22 -8.364 -0.548 4.679 167 HA2 GLY 22 2HA GLY 22 -7.611 2.207 4.113 168 HA3 GLY 22 1HA GLY 22 -6.911 1.506 5.568 169 H PHE 23 H PHE 23 -5.260 2.365 3.522 170 HA PHE 23 HA PHE 23 -3.985 -0.134 2.715 171 HB2 PHE 23 2HB PHE 23 -5.268 -0.056 0.872 172 HB3 PHE 23 1HB PHE 23 -5.474 1.691 0.933 173 HD1 PHE 23 2HD PHE 23 -3.164 -1.015 0.034 174 HD2 PHE 23 1HD PHE 23 -4.109 3.107 -0.216 175 HE1 PHE 23 2HE PHE 23 -1.449 -0.741 -1.709 176 HE2 PHE 23 1HE PHE 23 -2.405 3.393 -1.976 177 HZ PHE 23 HZ PHE 23 -1.085 1.444 -2.688 178 H THR 24 H THR 24 -1.875 0.043 2.734 179 HA THR 24 HA THR 24 -0.564 2.622 2.279 180 HB THR 24 HB THR 24 0.126 0.842 4.624 181 HG1 THR 24 1HG THR 24 -0.949 3.474 4.774 182 HG21 THR 24 3HG2 THR 24 2.042 2.038 3.678 183 HG22 THR 24 1HG2 THR 24 1.620 2.668 5.273 184 HG23 THR 24 2HG2 THR 24 1.166 3.562 3.821 185 H ARG 25 H ARG 25 1.015 2.293 0.756 186 HA ARG 25 HA ARG 25 1.832 -0.489 0.310 187 HB2 ARG 25 2HB ARG 25 0.977 0.484 -1.663 188 HB3 ARG 25 1HB ARG 25 1.923 1.957 -1.445 189 HG2 ARG 25 2HG ARG 25 3.987 0.573 -1.783 190 HG3 ARG 25 1HG ARG 25 2.932 -0.779 -2.199 191 HD2 ARG 25 2HD ARG 25 2.420 1.733 -3.656 192 HD3 ARG 25 1HD ARG 25 3.965 0.956 -3.996 193 HE ARG 25 HE ARG 25 1.409 -0.491 -4.248 194 HH11 ARG 25 1HH1 ARG 25 4.451 0.605 -5.588 195 HH12 ARG 25 2HH1 ARG 25 4.353 -0.407 -6.989 196 HH21 ARG 25 1HH2 ARG 25 1.262 -1.818 -6.140 197 HH22 ARG 25 2HH2 ARG 25 2.560 -1.787 -7.297 198 H GLN 26 H GLN 26 3.669 -1.169 1.145 199 HA GLN 26 HA GLN 26 5.848 0.601 1.778 200 HB2 GLN 26 2HB GLN 26 5.325 -2.312 1.998 201 HB3 GLN 26 1HB GLN 26 7.010 -1.831 1.835 202 HG2 GLN 26 2HG GLN 26 7.050 -1.436 4.001 203 HG3 GLN 26 1HG GLN 26 5.924 -0.113 3.740 204 HE21 GLN 26 1HE2 GLN 26 5.174 -3.492 3.245 205 HE22 GLN 26 2HE2 GLN 26 4.060 -3.637 4.555 206 H LEU 27 H LEU 27 7.608 1.057 0.533 207 HA LEU 27 HA LEU 27 7.213 0.380 -2.283 208 HB2 LEU 27 2HB LEU 27 8.853 2.563 -1.023 209 HB3 LEU 27 1HB LEU 27 8.601 2.336 -2.742 210 HG LEU 27 HG LEU 27 6.415 2.964 -0.756 211 HD11 LEU 27 1HD1 LEU 27 6.429 5.206 -1.699 212 HD12 LEU 27 2HD1 LEU 27 7.782 4.775 -2.747 213 HD13 LEU 27 3HD1 LEU 27 8.002 4.822 -0.997 214 HD21 LEU 27 3HD2 LEU 27 5.056 3.392 -2.734 215 HD22 LEU 27 1HD2 LEU 27 5.648 1.731 -2.729 216 HD23 LEU 27 2HD2 LEU 27 6.405 2.934 -3.776 217 H ALA 28 H ALA 28 8.889 -0.198 -3.642 218 HA ALA 28 HA ALA 28 11.261 -1.337 -2.377 219 HB1 ALA 28 1HB ALA 28 11.568 -2.514 -4.515 220 HB2 ALA 28 2HB ALA 28 10.147 -1.693 -5.164 221 HB3 ALA 28 3HB ALA 28 9.976 -2.828 -3.823 222 H ASN 29 H ASN 29 10.411 1.544 -3.467 223 HA ASN 29 HA ASN 29 12.828 2.038 -5.047 224 HB2 ASN 29 2HB ASN 29 10.363 3.748 -4.636 225 HB3 ASN 29 1HB ASN 29 11.774 4.249 -5.563 226 HD21 ASN 29 1HD2 ASN 29 8.907 2.341 -5.535 227 HD22 ASN 29 2HD2 ASN 29 9.001 1.787 -7.172 228 H GLU 30 H GLU 30 10.993 3.874 -2.603 229 HA GLU 30 HA GLU 30 13.558 4.364 -1.265 230 HB2 GLU 30 2HB GLU 30 12.428 6.411 -0.288 231 HB3 GLU 30 1HB GLU 30 12.820 6.480 -1.997 232 HG2 GLU 30 2HG GLU 30 10.541 6.143 -2.608 233 HG3 GLU 30 1HG GLU 30 10.092 5.784 -0.940 234 H GLY 31 H GLY 31 13.403 2.493 -0.075 235 HA2 GLY 31 2HA GLY 31 12.507 2.629 2.488 236 HA3 GLY 31 1HA GLY 31 11.139 1.954 1.614 237 H CYS 32 H CYS 32 11.542 0.040 0.327 238 HA CYS 32 HA CYS 32 13.629 -1.646 1.533 239 HB2 CYS 32 2HB CYS 32 11.333 -2.267 2.209 240 HB3 CYS 32 1HB CYS 32 10.890 -2.441 0.517 241 H ASP 33 H ASP 33 14.074 -3.621 -0.006 242 HA ASP 33 HA ASP 33 14.451 -2.641 -2.724 243 HB2 ASP 33 2HB ASP 33 15.203 -5.256 -1.386 244 HB3 ASP 33 1HB ASP 33 15.523 -4.906 -3.080 245 H ILE 34 H ILE 34 12.325 -4.593 -0.910 246 HA ILE 34 HA ILE 34 10.909 -5.388 -3.366 247 HB ILE 34 HB ILE 34 10.265 -7.372 -2.412 248 HG12 ILE 34 2HG1 ILE 34 10.456 -6.068 0.316 249 HG13 ILE 34 1HG1 ILE 34 8.978 -6.430 -0.570 250 HG21 ILE 34 1HG2 ILE 34 12.677 -6.749 -0.710 251 HG22 ILE 34 2HG2 ILE 34 12.721 -7.327 -2.377 252 HG23 ILE 34 3HG2 ILE 34 12.065 -8.357 -1.105 253 HD11 ILE 34 3HD1 ILE 34 9.382 -8.035 1.224 254 HD12 ILE 34 1HD1 ILE 34 10.926 -8.469 0.488 255 HD13 ILE 34 2HD1 ILE 34 9.419 -8.812 -0.361 256 H ASN 35 H ASN 35 8.440 -5.347 -3.054 257 HA ASN 35 HA ASN 35 7.724 -3.233 -1.139 258 HB2 ASN 35 2HB ASN 35 6.471 -2.004 -2.733 259 HB3 ASN 35 1HB ASN 35 8.008 -2.348 -3.508 260 HD21 ASN 35 1HD2 ASN 35 8.073 -3.850 -5.220 261 HD22 ASN 35 2HD2 ASN 35 6.633 -4.296 -6.064 262 H ALA 36 H ALA 36 5.842 -3.456 -0.097 263 HA ALA 36 HA ALA 36 4.086 -5.683 -0.915 264 HB1 ALA 36 1HB ALA 36 5.004 -5.068 1.890 265 HB2 ALA 36 2HB ALA 36 5.418 -6.486 0.926 266 HB3 ALA 36 3HB ALA 36 3.755 -6.238 1.467 267 H ILE 37 H ILE 37 1.922 -5.443 -0.440 268 HA ILE 37 HA ILE 37 1.037 -2.689 -0.060 269 HB ILE 37 HB ILE 37 -0.531 -5.148 -0.860 270 HG12 ILE 37 2HG1 ILE 37 1.164 -4.567 -2.543 271 HG13 ILE 37 1HG1 ILE 37 -0.460 -4.246 -3.139 272 HG21 ILE 37 1HG2 ILE 37 -2.220 -3.493 -1.600 273 HG22 ILE 37 2HG2 ILE 37 -1.242 -2.233 -0.848 274 HG23 ILE 37 3HG2 ILE 37 -1.950 -3.503 0.144 275 HD11 ILE 37 3HD1 ILE 37 1.468 -2.206 -2.074 276 HD12 ILE 37 1HD1 ILE 37 -0.165 -1.876 -2.651 277 HD13 ILE 37 2HD1 ILE 37 1.062 -2.483 -3.767 278 H ILE 38 H ILE 38 0.531 -2.107 1.997 279 HA ILE 38 HA ILE 38 -0.448 -4.124 3.856 280 HB ILE 38 HB ILE 38 0.103 -1.181 4.274 281 HG12 ILE 38 2HG1 ILE 38 2.116 -2.561 3.950 282 HG13 ILE 38 1HG1 ILE 38 2.005 -1.944 5.592 283 HG21 ILE 38 1HG2 ILE 38 -1.676 -1.912 5.750 284 HG22 ILE 38 2HG2 ILE 38 -0.193 -1.655 6.671 285 HG23 ILE 38 3HG2 ILE 38 -0.710 -3.294 6.268 286 HD11 ILE 38 3HD1 ILE 38 2.758 -4.250 5.551 287 HD12 ILE 38 1HD1 ILE 38 1.283 -4.726 4.713 288 HD13 ILE 38 2HD1 ILE 38 1.198 -4.106 6.362 289 H PHE 39 H PHE 39 -2.477 -4.657 3.215 290 HA PHE 39 HA PHE 39 -4.456 -2.537 2.904 291 HB2 PHE 39 2HB PHE 39 -4.630 -5.540 2.670 292 HB3 PHE 39 1HB PHE 39 -6.071 -4.536 2.735 293 HD1 PHE 39 1HD PHE 39 -4.967 -2.203 1.103 294 HD2 PHE 39 2HD PHE 39 -4.905 -6.418 0.497 295 HE1 PHE 39 1HE PHE 39 -4.830 -1.852 -1.338 296 HE2 PHE 39 2HE PHE 39 -4.750 -6.073 -1.924 297 HZ PHE 39 HZ PHE 39 -4.706 -3.801 -2.838 298 H HIS 40 H HIS 40 -5.317 -1.655 4.602 299 HA HIS 40 HA HIS 40 -5.135 -2.923 7.206 300 HB2 HIS 40 2HB HIS 40 -6.452 -0.283 6.487 301 HB3 HIS 40 1HB HIS 40 -6.012 -0.832 8.098 302 HD1 HIS 40 1HD HIS 40 -4.009 0.376 8.920 303 HD2 HIS 40 2HD HIS 40 -3.871 -0.227 4.815 304 HE1 HIS 40 1HE HIS 40 -1.875 1.450 8.136 305 HE2 HIS 40 2HE HIS 40 -1.956 1.300 5.633 306 H THR 41 H THR 41 -6.600 -4.439 7.648 307 HA THR 41 HA THR 41 -9.112 -4.466 6.238 308 HB THR 41 HB THR 41 -9.503 -6.607 7.445 309 HG1 THR 41 1HG THR 41 -6.806 -6.376 8.321 310 HG21 THR 41 3HG2 THR 41 -8.458 -6.593 5.241 311 HG22 THR 41 1HG2 THR 41 -7.762 -7.866 6.243 312 HG23 THR 41 2HG2 THR 41 -6.873 -6.365 5.979 313 H LYS 42 H LYS 42 -11.135 -4.697 7.227 314 HA LYS 42 HA LYS 42 -11.677 -2.932 9.369 315 HB2 LYS 42 2HB LYS 42 -13.262 -3.487 7.546 316 HB3 LYS 42 1HB LYS 42 -13.392 -5.125 8.164 317 HG2 LYS 42 2HG LYS 42 -14.497 -4.374 10.140 318 HG3 LYS 42 1HG LYS 42 -14.162 -2.685 9.747 319 HD2 LYS 42 2HD LYS 42 -16.499 -3.366 9.249 320 HD3 LYS 42 1HD LYS 42 -15.626 -2.793 7.827 321 HE2 LYS 42 2HE LYS 42 -15.196 -5.111 7.162 322 HE3 LYS 42 1HE LYS 42 -16.063 -5.677 8.587 323 HZ1 LYS 42 3HZ LYS 42 -17.231 -4.093 6.357 324 HZ2 LYS 42 1HZ LYS 42 -18.065 -4.617 7.740 325 HZ3 LYS 42 2HZ LYS 42 -17.460 -5.748 6.633 326 H LYS 43 H LYS 43 -10.246 -5.887 9.355 327 HA LYS 43 HA LYS 43 -11.227 -6.674 11.965 328 HB2 LYS 43 2HB LYS 43 -9.555 -7.997 9.883 329 HB3 LYS 43 1HB LYS 43 -9.383 -8.523 11.552 330 HG2 LYS 43 2HG LYS 43 -11.783 -9.036 11.618 331 HG3 LYS 43 1HG LYS 43 -11.926 -8.536 9.931 332 HD2 LYS 43 2HD LYS 43 -10.623 -10.320 9.169 333 HD3 LYS 43 1HD LYS 43 -9.978 -10.657 10.775 334 HE2 LYS 43 2HE LYS 43 -11.608 -12.347 10.114 335 HE3 LYS 43 1HE LYS 43 -12.176 -11.430 11.507 336 HZ1 LYS 43 3HZ LYS 43 -13.608 -10.151 10.070 337 HZ2 LYS 43 1HZ LYS 43 -13.922 -11.800 9.844 338 HZ3 LYS 43 2HZ LYS 43 -13.015 -10.953 8.698 339 H LYS 44 H LYS 44 -9.201 -4.448 10.910 340 HA LYS 44 HA LYS 44 -7.551 -3.196 11.832 341 HB2 LYS 44 2HB LYS 44 -7.833 -5.044 14.208 342 HB3 LYS 44 1HB LYS 44 -6.864 -3.578 14.178 343 HG2 LYS 44 2HG LYS 44 -8.877 -2.244 13.815 344 HG3 LYS 44 1HG LYS 44 -9.854 -3.715 13.828 345 HD2 LYS 44 2HD LYS 44 -9.956 -2.635 15.998 346 HD3 LYS 44 1HD LYS 44 -9.091 -4.165 16.134 347 HE2 LYS 44 2HE LYS 44 -6.955 -2.918 15.981 348 HE3 LYS 44 1HE LYS 44 -7.876 -1.412 15.977 349 HZ1 LYS 44 3HZ LYS 44 -7.193 -1.755 18.180 350 HZ2 LYS 44 1HZ LYS 44 -7.630 -3.394 18.165 351 HZ3 LYS 44 2HZ LYS 44 -8.831 -2.199 18.157 352 H LEU 45 H LEU 45 -7.208 -6.024 10.567 353 HA LEU 45 HA LEU 45 -4.486 -6.611 11.435 354 HB2 LEU 45 2HB LEU 45 -6.225 -7.999 9.392 355 HB3 LEU 45 1HB LEU 45 -4.666 -8.563 9.957 356 HG LEU 45 HG LEU 45 -7.155 -8.316 11.655 357 HD11 LEU 45 1HD1 LEU 45 -5.744 -10.757 10.584 358 HD12 LEU 45 2HD1 LEU 45 -7.288 -10.125 10.006 359 HD13 LEU 45 3HD1 LEU 45 -7.149 -10.746 11.652 360 HD21 LEU 45 3HD2 LEU 45 -5.822 -9.545 13.322 361 HD22 LEU 45 1HD2 LEU 45 -5.163 -7.947 12.972 362 HD23 LEU 45 2HD2 LEU 45 -4.408 -9.384 12.281 363 H SER 46 H SER 46 -2.779 -5.824 10.410 364 HA SER 46 HA SER 46 -3.087 -4.467 7.871 365 HB2 SER 46 2HB SER 46 -0.610 -3.992 8.224 366 HB3 SER 46 1HB SER 46 -1.698 -3.334 9.444 367 HG SER 46 HG SER 46 -0.287 -5.788 9.677 368 H VAL 47 H VAL 47 -3.425 -5.991 6.315 369 HA VAL 47 HA VAL 47 -1.889 -8.450 6.315 370 HB VAL 47 HB VAL 47 -4.008 -7.482 4.380 371 HG11 VAL 47 1HG1 VAL 47 -2.536 -9.179 3.406 372 HG12 VAL 47 2HG1 VAL 47 -4.168 -9.799 3.663 373 HG13 VAL 47 3HG1 VAL 47 -2.870 -10.246 4.771 374 HG21 VAL 47 3HG2 VAL 47 -5.520 -8.984 5.590 375 HG22 VAL 47 1HG2 VAL 47 -4.881 -7.724 6.645 376 HG23 VAL 47 2HG2 VAL 47 -4.231 -9.360 6.731 377 H CYS 48 H CYS 48 -0.155 -8.878 5.023 378 HA CYS 48 HA CYS 48 0.806 -6.706 3.365 379 HB2 CYS 48 2HB CYS 48 2.107 -9.337 4.100 380 HB3 CYS 48 1HB CYS 48 2.851 -8.104 3.084 381 H ALA 49 H ALA 49 -0.707 -6.751 1.798 382 HA ALA 49 HA ALA 49 -1.334 -9.017 0.211 383 HB1 ALA 49 1HB ALA 49 -2.420 -7.350 -1.238 384 HB2 ALA 49 2HB ALA 49 -1.655 -6.057 -0.309 385 HB3 ALA 49 3HB ALA 49 -2.843 -7.112 0.458 386 H ASN 50 H ASN 50 -0.533 -9.584 -1.806 387 HA ASN 50 HA ASN 50 2.175 -8.654 -2.316 388 HB2 ASN 50 2HB ASN 50 0.615 -10.764 -3.812 389 HB3 ASN 50 1HB ASN 50 2.337 -10.459 -3.934 390 HD21 ASN 50 1HD2 ASN 50 0.572 -10.556 -0.880 391 HD22 ASN 50 2HD2 ASN 50 1.254 -12.058 -0.357 392 HA PRO 51 HA PRO 51 0.781 -5.806 -5.484 393 HB2 PRO 51 2HB PRO 51 3.389 -5.561 -6.474 394 HB3 PRO 51 1HB PRO 51 2.626 -4.509 -5.282 395 HG2 PRO 51 2HG PRO 51 4.511 -6.777 -4.868 396 HG3 PRO 51 1HG PRO 51 4.338 -5.271 -3.953 397 HD2 PRO 51 2HD PRO 51 3.430 -7.619 -3.013 398 HD3 PRO 51 1HD PRO 51 2.596 -6.085 -2.699 399 H LYS 52 H LYS 52 2.061 -8.877 -5.665 400 HA LYS 52 HA LYS 52 2.507 -9.141 -8.486 401 HB2 LYS 52 2HB LYS 52 2.069 -11.270 -6.377 402 HB3 LYS 52 1HB LYS 52 2.792 -11.502 -7.963 403 HG2 LYS 52 2HG LYS 52 4.755 -10.347 -7.358 404 HG3 LYS 52 1HG LYS 52 4.004 -9.678 -5.907 405 HD2 LYS 52 2HD LYS 52 3.819 -11.962 -4.983 406 HD3 LYS 52 1HD LYS 52 4.640 -12.586 -6.412 407 HE2 LYS 52 2HE LYS 52 5.838 -10.554 -4.538 408 HE3 LYS 52 1HE LYS 52 6.097 -12.292 -4.399 409 HZ1 LYS 52 3HZ LYS 52 6.859 -10.570 -6.700 410 HZ2 LYS 52 1HZ LYS 52 7.018 -12.260 -6.661 411 HZ3 LYS 52 2HZ LYS 52 7.909 -11.299 -5.590 412 H GLN 53 H GLN 53 -0.148 -9.604 -6.274 413 HA GLN 53 HA GLN 53 -1.597 -11.375 -8.057 414 HB2 GLN 53 2HB GLN 53 -3.001 -10.364 -5.693 415 HB3 GLN 53 1HB GLN 53 -2.693 -12.023 -6.194 416 HG2 GLN 53 2HG GLN 53 -0.454 -11.926 -5.262 417 HG3 GLN 53 1HG GLN 53 -0.679 -10.226 -4.890 418 HE21 GLN 53 1HE2 GLN 53 -1.883 -9.612 -3.157 419 HE22 GLN 53 2HE2 GLN 53 -2.351 -10.738 -1.931 420 H THR 54 H THR 54 -3.486 -10.875 -9.141 421 HA THR 54 HA THR 54 -3.756 -8.136 -9.883 422 HB THR 54 HB THR 54 -5.859 -9.169 -11.106 423 HG1 THR 54 1HG THR 54 -5.423 -11.407 -11.552 424 HG21 THR 54 3HG2 THR 54 -4.378 -9.790 -12.968 425 HG22 THR 54 1HG2 THR 54 -2.995 -9.748 -11.873 426 HG23 THR 54 2HG2 THR 54 -3.891 -8.269 -12.220 427 H TRP 55 H TRP 55 -5.549 -10.243 -7.699 428 HA TRP 55 HA TRP 55 -7.785 -8.564 -7.383 429 HB2 TRP 55 2HB TRP 55 -8.304 -9.713 -5.389 430 HB3 TRP 55 1HB TRP 55 -7.632 -10.898 -6.490 431 HD1 TRP 55 HD TRP 55 -5.316 -11.943 -5.817 432 HE1 TRP 55 1HE TRP 55 -4.025 -12.038 -3.653 433 HE3 TRP 55 3HE TRP 55 -7.777 -8.371 -3.424 434 HZ2 TRP 55 2HZ TRP 55 -4.053 -10.693 -1.149 435 HZ3 TRP 55 3HZ TRP 55 -7.138 -7.796 -1.223 436 HH2 TRP 55 HH TRP 55 -5.342 -8.910 -0.036 437 H VAL 56 H VAL 56 -4.588 -8.513 -6.093 438 HA VAL 56 HA VAL 56 -5.014 -6.315 -4.333 439 HB VAL 56 HB VAL 56 -2.578 -7.665 -5.443 440 HG11 VAL 56 1HG1 VAL 56 -2.059 -5.267 -5.435 441 HG12 VAL 56 2HG1 VAL 56 -1.145 -6.154 -4.216 442 HG13 VAL 56 3HG1 VAL 56 -2.537 -5.181 -3.737 443 HG21 VAL 56 3HG2 VAL 56 -2.160 -8.062 -3.063 444 HG22 VAL 56 1HG2 VAL 56 -3.718 -8.694 -3.586 445 HG23 VAL 56 2HG2 VAL 56 -3.640 -7.187 -2.672 446 H LYS 57 H LYS 57 -3.617 -6.642 -7.588 447 HA LYS 57 HA LYS 57 -3.005 -3.981 -8.082 448 HB2 LYS 57 2HB LYS 57 -4.039 -6.025 -10.058 449 HB3 LYS 57 1HB LYS 57 -3.225 -4.526 -10.481 450 HG2 LYS 57 2HG LYS 57 -1.190 -5.313 -9.366 451 HG3 LYS 57 1HG LYS 57 -2.012 -6.816 -8.941 452 HD2 LYS 57 2HD LYS 57 -2.397 -7.212 -11.375 453 HD3 LYS 57 1HD LYS 57 -1.393 -5.801 -11.710 454 HE2 LYS 57 2HE LYS 57 -0.488 -8.241 -10.186 455 HE3 LYS 57 1HE LYS 57 -0.184 -7.961 -11.901 456 HZ1 LYS 57 3HZ LYS 57 0.839 -6.364 -9.614 457 HZ2 LYS 57 1HZ LYS 57 0.998 -5.897 -11.240 458 HZ3 LYS 57 2HZ LYS 57 1.736 -7.319 -10.694 459 H TYR 58 H TYR 58 -6.081 -5.665 -8.342 460 HA TYR 58 HA TYR 58 -7.535 -3.552 -9.490 461 HB2 TYR 58 2HB TYR 58 -8.550 -5.670 -9.621 462 HB3 TYR 58 1HB TYR 58 -8.296 -5.994 -7.909 463 HD1 TYR 58 1HD TYR 58 -9.913 -3.182 -9.788 464 HD2 TYR 58 2HD TYR 58 -10.287 -6.198 -6.808 465 HE1 TYR 58 1HE TYR 58 -12.169 -2.375 -9.257 466 HE2 TYR 58 2HE TYR 58 -12.542 -5.407 -6.283 467 HH TYR 58 HH TYR 58 -14.243 -3.235 -8.259 468 H ILE 59 H ILE 59 -7.331 -4.668 -6.095 469 HA ILE 59 HA ILE 59 -8.977 -2.639 -5.070 470 HB ILE 59 HB ILE 59 -6.882 -4.246 -3.607 471 HG12 ILE 59 2HG1 ILE 59 -9.869 -4.674 -3.873 472 HG13 ILE 59 1HG1 ILE 59 -8.638 -5.582 -4.731 473 HG21 ILE 59 1HG2 ILE 59 -9.228 -2.661 -2.565 474 HG22 ILE 59 2HG2 ILE 59 -7.526 -2.244 -2.368 475 HG23 ILE 59 3HG2 ILE 59 -8.175 -3.694 -1.599 476 HD11 ILE 59 3HD1 ILE 59 -8.917 -5.514 -1.749 477 HD12 ILE 59 1HD1 ILE 59 -7.808 -6.510 -2.691 478 HD13 ILE 59 2HD1 ILE 59 -9.547 -6.781 -2.804 479 H VAL 60 H VAL 60 -5.433 -2.866 -5.333 480 HA VAL 60 HA VAL 60 -4.884 -0.494 -3.909 481 HB VAL 60 HB VAL 60 -3.140 -2.162 -4.338 482 HG11 VAL 60 1HG1 VAL 60 -2.011 -2.245 -6.530 483 HG12 VAL 60 2HG1 VAL 60 -3.264 -1.199 -7.198 484 HG13 VAL 60 3HG1 VAL 60 -3.681 -2.809 -6.610 485 HG21 VAL 60 3HG2 VAL 60 -1.313 -0.628 -4.840 486 HG22 VAL 60 1HG2 VAL 60 -2.498 0.119 -3.768 487 HG23 VAL 60 2HG2 VAL 60 -2.464 0.548 -5.480 488 H ARG 61 H ARG 61 -5.680 -1.034 -7.313 489 HA ARG 61 HA ARG 61 -5.029 1.560 -8.211 490 HB2 ARG 61 2HB ARG 61 -5.473 -0.264 -9.780 491 HB3 ARG 61 1HB ARG 61 -7.148 -0.334 -9.244 492 HG2 ARG 61 2HG ARG 61 -7.612 1.813 -10.175 493 HG3 ARG 61 1HG ARG 61 -5.901 2.094 -10.502 494 HD2 ARG 61 2HD ARG 61 -7.610 -0.040 -11.772 495 HD3 ARG 61 1HD ARG 61 -7.122 1.474 -12.531 496 HE ARG 61 HE ARG 61 -4.749 0.447 -11.898 497 HH11 ARG 61 1HH1 ARG 61 -7.526 -1.008 -13.460 498 HH12 ARG 61 2HH1 ARG 61 -6.584 -2.171 -14.347 499 HH21 ARG 61 1HH2 ARG 61 -3.502 -1.044 -13.066 500 HH22 ARG 61 2HH2 ARG 61 -4.278 -2.180 -14.123 501 H LEU 62 H LEU 62 -7.976 0.202 -6.817 502 HA LEU 62 HA LEU 62 -9.378 2.720 -6.999 503 HB2 LEU 62 2HB LEU 62 -10.076 0.110 -5.667 504 HB3 LEU 62 1HB LEU 62 -11.112 1.524 -5.618 505 HG LEU 62 HG LEU 62 -10.344 -0.093 -8.043 506 HD11 LEU 62 1HD1 LEU 62 -12.980 0.461 -6.697 507 HD12 LEU 62 2HD1 LEU 62 -12.105 -1.070 -6.707 508 HD13 LEU 62 3HD1 LEU 62 -12.775 -0.427 -8.207 509 HD21 LEU 62 3HD2 LEU 62 -11.718 1.467 -9.344 510 HD22 LEU 62 1HD2 LEU 62 -10.309 2.267 -8.645 511 HD23 LEU 62 2HD2 LEU 62 -11.902 2.490 -7.919 512 H LEU 63 H LEU 63 -6.900 1.845 -5.145 513 HA LEU 63 HA LEU 63 -7.876 3.322 -2.795 514 HB2 LEU 63 2HB LEU 63 -5.894 1.080 -3.005 515 HB3 LEU 63 1HB LEU 63 -5.956 2.134 -1.601 516 HG LEU 63 HG LEU 63 -8.234 0.407 -2.609 517 HD11 LEU 63 1HD1 LEU 63 -7.874 -0.866 -0.543 518 HD12 LEU 63 2HD1 LEU 63 -6.452 0.118 -0.200 519 HD13 LEU 63 3HD1 LEU 63 -6.475 -0.930 -1.617 520 HD21 LEU 63 3HD2 LEU 63 -9.386 1.073 -0.566 521 HD22 LEU 63 1HD2 LEU 63 -9.012 2.481 -1.556 522 HD23 LEU 63 2HD2 LEU 63 -8.038 2.121 -0.133 523 H SER 64 H SER 64 -5.691 3.320 -5.387 524 HA SER 64 HA SER 64 -4.053 5.393 -4.099 525 HB2 SER 64 2HB SER 64 -2.837 3.414 -5.027 526 HB3 SER 64 1HB SER 64 -3.451 3.826 -6.627 527 HG SER 64 HG SER 64 -1.806 5.475 -4.995 528 H LYS 65 H LYS 65 -5.267 4.654 -7.389 529 HA LYS 65 HA LYS 65 -5.645 7.540 -7.770 530 HB2 LYS 65 2HB LYS 65 -5.571 5.334 -9.838 531 HB3 LYS 65 1HB LYS 65 -5.809 7.039 -10.184 532 HG2 LYS 65 2HG LYS 65 -3.606 7.065 -10.526 533 HG3 LYS 65 1HG LYS 65 -3.491 7.093 -8.765 534 HD2 LYS 65 2HD LYS 65 -2.042 5.365 -9.559 535 HD3 LYS 65 1HD LYS 65 -3.440 4.592 -8.806 536 HE2 LYS 65 2HE LYS 65 -2.899 3.462 -10.877 537 HE3 LYS 65 1HE LYS 65 -4.444 4.295 -11.035 538 HZ1 LYS 65 3HZ LYS 65 -3.366 6.058 -12.249 539 HZ2 LYS 65 1HZ LYS 65 -3.004 4.578 -12.987 540 HZ3 LYS 65 2HZ LYS 65 -1.845 5.348 -12.023 541 H LYS 66 H LYS 66 -7.524 7.486 -6.442 542 HA LYS 66 HA LYS 66 -9.866 6.397 -7.832 543 HB2 LYS 66 2HB LYS 66 -10.964 6.157 -5.649 544 HB3 LYS 66 1HB LYS 66 -9.495 5.197 -5.729 545 HG2 LYS 66 2HG LYS 66 -8.331 7.070 -4.517 546 HG3 LYS 66 1HG LYS 66 -9.923 7.791 -4.267 547 HD2 LYS 66 2HD LYS 66 -9.024 5.065 -3.329 548 HD3 LYS 66 1HD LYS 66 -9.279 6.493 -2.320 549 HE2 LYS 66 2HE LYS 66 -11.606 6.464 -2.699 550 HE3 LYS 66 1HE LYS 66 -11.452 5.308 -4.020 551 HZ1 LYS 66 3HZ LYS 66 -12.268 4.229 -2.041 552 HZ2 LYS 66 1HZ LYS 66 -10.919 4.755 -1.152 553 HZ3 LYS 66 2HZ LYS 66 -10.728 3.644 -2.422 554 H VAL 67 H VAL 67 -11.637 7.695 -7.982 555 HA VAL 67 HA VAL 67 -11.022 10.543 -7.746 556 HB VAL 67 HB VAL 67 -13.278 9.257 -9.287 557 HG11 VAL 67 1HG1 VAL 67 -12.023 11.990 -9.460 558 HG12 VAL 67 2HG1 VAL 67 -13.614 11.611 -8.800 559 HG13 VAL 67 3HG1 VAL 67 -13.292 11.374 -10.519 560 HG21 VAL 67 3HG2 VAL 67 -11.897 9.454 -11.273 561 HG22 VAL 67 1HG2 VAL 67 -11.110 8.422 -10.076 562 HG23 VAL 67 2HG2 VAL 67 -10.565 10.085 -10.304 563 H LYS 68 H LYS 68 -11.666 11.281 -5.797 564 HA LYS 68 HA LYS 68 -14.332 10.540 -4.848 565 HB2 LYS 68 2HB LYS 68 -12.593 10.329 -3.177 566 HB3 LYS 68 1HB LYS 68 -12.079 11.987 -3.451 567 HG2 LYS 68 2HG LYS 68 -13.368 11.802 -1.400 568 HG3 LYS 68 1HG LYS 68 -14.209 12.802 -2.585 569 HD2 LYS 68 2HD LYS 68 -15.633 10.892 -3.178 570 HD3 LYS 68 1HD LYS 68 -14.788 9.898 -1.991 571 HE2 LYS 68 2HE LYS 68 -16.811 10.614 -0.980 572 HE3 LYS 68 1HE LYS 68 -15.507 11.542 -0.243 573 HZ1 LYS 68 3HZ LYS 68 -17.469 12.466 -2.271 574 HZ2 LYS 68 1HZ LYS 68 -16.082 13.353 -1.853 575 HZ3 LYS 68 2HZ LYS 68 -17.263 13.031 -0.692 576 H ASN 69 H ASN 69 -15.763 11.739 -5.935 577 HA ASN 69 HA ASN 69 -15.449 14.658 -5.742 578 HB2 ASN 69 2HB ASN 69 -17.166 13.055 -7.657 579 HB3 ASN 69 1HB ASN 69 -17.122 14.810 -7.570 580 HD21 ASN 69 1HD2 ASN 69 -16.481 12.953 -9.754 581 HD22 ASN 69 2HD2 ASN 69 -14.866 13.352 -10.244 582 H MET 70 H MET 70 -18.334 12.709 -6.289 583 HA MET 70 HA MET 70 -19.574 13.909 -3.930 584 HB2 MET 70 2HB MET 70 -20.833 14.041 -6.032 585 HB3 MET 70 1HB MET 70 -20.761 12.294 -6.196 586 HG2 MET 70 2HG MET 70 -22.134 12.021 -4.221 587 HG3 MET 70 1HG MET 70 -22.155 13.764 -3.973 588 HE1 MET 70 3HE MET 70 -24.793 13.649 -3.799 589 HE2 MET 70 1HE MET 70 -24.802 11.914 -4.120 590 HE3 MET 70 2HE MET 70 -25.839 12.990 -5.054 Start of MODEL 5 1 H1 ALA 1 1HT ALA 1 16.559 9.103 5.979 2 H2 ALA 1 2HT ALA 1 16.676 9.159 4.289 3 H3 ALA 1 3HT ALA 1 18.062 9.378 5.242 4 HA ALA 1 HA ALA 1 18.079 7.187 4.313 5 HB1 ALA 1 1HB ALA 1 18.995 7.519 6.570 6 HB2 ALA 1 2HB ALA 1 18.322 5.904 6.365 7 HB3 ALA 1 3HB ALA 1 17.419 7.127 7.259 8 H SER 2 H SER 2 16.975 4.925 5.461 9 HA SER 2 HA SER 2 14.682 4.467 3.966 10 HB2 SER 2 2HB SER 2 15.488 3.025 6.503 11 HB3 SER 2 1HB SER 2 14.522 2.383 5.170 12 HG SER 2 HG SER 2 16.816 1.789 5.180 13 H ASN 3 H ASN 3 12.584 4.968 4.247 14 HA ASN 3 HA ASN 3 11.733 6.309 6.658 15 HB2 ASN 3 2HB ASN 3 10.313 5.595 4.089 16 HB3 ASN 3 1HB ASN 3 9.470 6.321 5.455 17 HD21 ASN 3 1HD2 ASN 3 10.010 8.443 6.086 18 HD22 ASN 3 2HD2 ASN 3 10.811 9.526 4.992 19 H PHE 4 H PHE 4 10.767 3.371 4.934 20 HA PHE 4 HA PHE 4 9.892 2.238 7.499 21 HB2 PHE 4 2HB PHE 4 8.039 1.096 6.236 22 HB3 PHE 4 1HB PHE 4 7.856 2.829 6.393 23 HD1 PHE 4 1HD PHE 4 9.701 0.656 3.987 24 HD2 PHE 4 2HD PHE 4 6.784 3.702 4.549 25 HE1 PHE 4 1HE PHE 4 9.405 0.808 1.561 26 HE2 PHE 4 2HE PHE 4 6.477 3.853 2.111 27 HZ PHE 4 HZ PHE 4 7.787 2.392 0.618 28 H ASP 5 H ASP 5 9.245 -0.241 6.824 29 HA ASP 5 HA ASP 5 11.217 -1.271 4.953 30 HB2 ASP 5 2HB ASP 5 11.750 -3.144 6.555 31 HB3 ASP 5 1HB ASP 5 12.390 -1.561 6.985 32 H CYS 6 H CYS 6 10.020 -2.107 3.487 33 HA CYS 6 HA CYS 6 7.569 -3.099 3.319 34 HB2 CYS 6 2HB CYS 6 8.340 -4.373 1.431 35 HB3 CYS 6 1HB CYS 6 9.283 -2.905 1.503 36 H CYS 7 H CYS 7 6.530 -5.084 3.580 37 HA CYS 7 HA CYS 7 7.164 -6.574 5.869 38 HB2 CYS 7 2HB CYS 7 5.423 -7.513 3.582 39 HB3 CYS 7 1HB CYS 7 5.330 -8.000 5.269 40 H LEU 8 H LEU 8 8.363 -8.371 6.194 41 HA LEU 8 HA LEU 8 9.820 -9.487 3.938 42 HB2 LEU 8 2HB LEU 8 9.928 -10.134 6.889 43 HB3 LEU 8 1HB LEU 8 10.971 -10.841 5.667 44 HG LEU 8 HG LEU 8 10.868 -7.922 6.424 45 HD11 LEU 8 1HD1 LEU 8 11.903 -9.308 8.131 46 HD12 LEU 8 2HD1 LEU 8 13.122 -8.344 7.298 47 HD13 LEU 8 3HD1 LEU 8 12.940 -10.054 6.917 48 HD21 LEU 8 3HD2 LEU 8 12.786 -7.682 4.927 49 HD22 LEU 8 1HD2 LEU 8 11.366 -8.247 4.046 50 HD23 LEU 8 2HD2 LEU 8 12.650 -9.379 4.467 51 H GLY 9 H GLY 9 6.853 -9.846 4.957 52 HA2 GLY 9 2HA GLY 9 6.592 -12.468 3.766 53 HA3 GLY 9 1HA GLY 9 6.070 -12.359 5.442 54 H TYR 10 H TYR 10 5.007 -12.270 2.381 55 HA TYR 10 HA TYR 10 2.775 -10.529 3.111 56 HB2 TYR 10 2HB TYR 10 2.458 -10.013 0.698 57 HB3 TYR 10 1HB TYR 10 3.930 -9.364 1.396 58 HD1 TYR 10 2HD TYR 10 4.559 -12.736 0.939 59 HD2 TYR 10 1HD TYR 10 4.050 -9.146 -1.288 60 HE1 TYR 10 2HE TYR 10 5.837 -13.719 -0.933 61 HE2 TYR 10 1HE TYR 10 5.325 -10.114 -3.154 62 HH TYR 10 HH TYR 10 6.327 -13.479 -3.159 63 H THR 11 H THR 11 0.745 -11.027 1.885 64 HA THR 11 HA THR 11 0.043 -13.608 2.871 65 HB THR 11 HB THR 11 -1.339 -11.559 3.132 66 HG1 THR 11 1HG THR 11 -2.269 -13.752 3.236 67 HG21 THR 11 3HG2 THR 11 -1.943 -11.966 0.204 68 HG22 THR 11 1HG2 THR 11 -1.058 -10.612 0.908 69 HG23 THR 11 2HG2 THR 11 -2.769 -10.834 1.273 70 H ASP 12 H ASP 12 -1.959 -14.577 1.388 71 HA ASP 12 HA ASP 12 -1.080 -15.035 -1.361 72 HB2 ASP 12 2HB ASP 12 -0.976 -17.414 -1.145 73 HB3 ASP 12 1HB ASP 12 0.001 -16.770 0.171 74 H ARG 13 H ARG 13 -3.379 -13.908 0.342 75 HA ARG 13 HA ARG 13 -5.569 -15.764 -0.123 76 HB2 ARG 13 2HB ARG 13 -5.544 -13.029 1.159 77 HB3 ARG 13 1HB ARG 13 -6.912 -14.129 1.131 78 HG2 ARG 13 2HG ARG 13 -4.273 -14.704 2.476 79 HG3 ARG 13 1HG ARG 13 -5.722 -14.116 3.293 80 HD2 ARG 13 2HD ARG 13 -5.764 -16.415 3.665 81 HD3 ARG 13 1HD ARG 13 -6.878 -16.186 2.322 82 HE ARG 13 HE ARG 13 -4.090 -16.964 1.788 83 HH11 ARG 13 1HH1 ARG 13 -7.529 -17.686 1.680 84 HH12 ARG 13 2HH1 ARG 13 -7.323 -19.114 0.717 85 HH21 ARG 13 1HH2 ARG 13 -3.811 -18.850 0.547 86 HH22 ARG 13 2HH2 ARG 13 -5.201 -19.785 0.078 87 H ILE 14 H ILE 14 -7.613 -14.962 -0.981 88 HA ILE 14 HA ILE 14 -7.376 -12.726 -2.865 89 HB ILE 14 HB ILE 14 -9.466 -14.891 -2.607 90 HG12 ILE 14 2HG1 ILE 14 -7.232 -15.290 -3.828 91 HG13 ILE 14 1HG1 ILE 14 -8.720 -15.704 -4.673 92 HG21 ILE 14 1HG2 ILE 14 -9.477 -12.545 -4.494 93 HG22 ILE 14 2HG2 ILE 14 -10.555 -12.750 -3.114 94 HG23 ILE 14 3HG2 ILE 14 -10.645 -13.868 -4.477 95 HD11 ILE 14 3HD1 ILE 14 -7.123 -13.189 -5.046 96 HD12 ILE 14 1HD1 ILE 14 -8.622 -13.601 -5.885 97 HD13 ILE 14 2HD1 ILE 14 -7.167 -14.574 -6.139 98 H LEU 15 H LEU 15 -7.358 -11.151 -1.228 99 HA LEU 15 HA LEU 15 -9.656 -10.994 0.569 100 HB2 LEU 15 2HB LEU 15 -7.232 -9.202 0.359 101 HB3 LEU 15 1HB LEU 15 -8.445 -9.156 1.627 102 HG LEU 15 HG LEU 15 -7.307 -11.797 1.404 103 HD11 LEU 15 1HD1 LEU 15 -5.346 -10.659 0.541 104 HD12 LEU 15 2HD1 LEU 15 -5.050 -11.244 2.182 105 HD13 LEU 15 3HD1 LEU 15 -5.378 -9.532 1.902 106 HD21 LEU 15 3HD2 LEU 15 -6.976 -11.493 3.775 107 HD22 LEU 15 1HD2 LEU 15 -8.565 -10.888 3.310 108 HD23 LEU 15 2HD2 LEU 15 -7.246 -9.758 3.619 109 H HIS 16 H HIS 16 -10.744 -8.809 0.744 110 HA HIS 16 HA HIS 16 -10.945 -7.624 -1.946 111 HB2 HIS 16 2HB HIS 16 -13.271 -8.483 -0.228 112 HB3 HIS 16 1HB HIS 16 -13.390 -7.622 -1.753 113 HD1 HIS 16 1HD HIS 16 -14.881 -10.068 -1.627 114 HD2 HIS 16 2HD HIS 16 -10.868 -10.089 -2.681 115 HE1 HIS 16 1HE HIS 16 -14.535 -12.181 -2.835 116 HE2 HIS 16 2HE HIS 16 -12.083 -12.298 -3.316 117 HA PRO 17 HA PRO 17 -11.806 -3.629 0.035 118 HB2 PRO 17 2HB PRO 17 -14.396 -3.651 -1.421 119 HB3 PRO 17 1HB PRO 17 -13.127 -2.422 -1.409 120 HG2 PRO 17 2HG PRO 17 -13.529 -4.035 -3.524 121 HG3 PRO 17 1HG PRO 17 -11.916 -3.466 -3.063 122 HD2 PRO 17 2HD PRO 17 -13.152 -6.161 -2.707 123 HD3 PRO 17 1HD PRO 17 -11.452 -5.710 -2.973 124 H LYS 18 H LYS 18 -14.063 -6.242 -0.248 125 HA LYS 18 HA LYS 18 -16.000 -5.919 1.614 126 HB2 LYS 18 2HB LYS 18 -14.282 -8.310 0.974 127 HB3 LYS 18 1HB LYS 18 -15.622 -8.442 2.084 128 HG2 LYS 18 2HG LYS 18 -17.098 -7.604 0.222 129 HG3 LYS 18 1HG LYS 18 -15.708 -7.807 -0.843 130 HD2 LYS 18 2HD LYS 18 -15.575 -10.162 -0.268 131 HD3 LYS 18 1HD LYS 18 -16.900 -9.979 0.879 132 HE2 LYS 18 2HE LYS 18 -17.066 -9.571 -2.098 133 HE3 LYS 18 1HE LYS 18 -17.653 -10.976 -1.217 134 HZ1 LYS 18 3HZ LYS 18 -19.531 -9.676 -1.526 135 HZ2 LYS 18 1HZ LYS 18 -18.714 -8.222 -1.197 136 HZ3 LYS 18 2HZ LYS 18 -19.063 -9.298 0.064 137 H PHE 19 H PHE 19 -12.562 -6.368 2.283 138 HA PHE 19 HA PHE 19 -13.177 -6.193 5.165 139 HB2 PHE 19 2HB PHE 19 -10.945 -7.826 3.942 140 HB3 PHE 19 1HB PHE 19 -11.339 -7.711 5.650 141 HD1 PHE 19 2HD PHE 19 -12.359 -9.102 2.416 142 HD2 PHE 19 1HD PHE 19 -13.176 -8.927 6.588 143 HE1 PHE 19 2HE PHE 19 -13.862 -11.037 2.192 144 HE2 PHE 19 1HE PHE 19 -14.675 -10.869 6.379 145 HZ PHE 19 HZ PHE 19 -15.019 -11.926 4.183 146 H ILE 20 H ILE 20 -11.792 -4.635 2.632 147 HA ILE 20 HA ILE 20 -9.402 -3.727 4.052 148 HB ILE 20 HB ILE 20 -10.279 -3.656 1.199 149 HG12 ILE 20 2HG1 ILE 20 -8.075 -4.418 0.734 150 HG13 ILE 20 1HG1 ILE 20 -7.483 -3.936 2.312 151 HG21 ILE 20 1HG2 ILE 20 -8.371 -1.627 2.349 152 HG22 ILE 20 2HG2 ILE 20 -9.934 -1.303 1.600 153 HG23 ILE 20 3HG2 ILE 20 -8.607 -1.939 0.628 154 HD11 ILE 20 3HD1 ILE 20 -8.878 -5.702 3.327 155 HD12 ILE 20 1HD1 ILE 20 -7.667 -6.325 2.201 156 HD13 ILE 20 2HD1 ILE 20 -9.355 -6.204 1.706 157 H VAL 21 H VAL 21 -9.512 -1.987 5.291 158 HA VAL 21 HA VAL 21 -11.454 0.113 4.584 159 HB VAL 21 HB VAL 21 -11.319 0.858 6.945 160 HG11 VAL 21 1HG1 VAL 21 -13.123 -0.616 6.173 161 HG12 VAL 21 2HG1 VAL 21 -12.716 -0.891 7.866 162 HG13 VAL 21 3HG1 VAL 21 -12.158 -2.019 6.630 163 HG21 VAL 21 3HG2 VAL 21 -9.137 -0.055 7.532 164 HG22 VAL 21 1HG2 VAL 21 -9.770 -1.695 7.370 165 HG23 VAL 21 2HG2 VAL 21 -10.382 -0.635 8.638 166 H GLY 22 H GLY 22 -8.240 -0.659 4.523 167 HA2 GLY 22 2HA GLY 22 -7.549 2.077 3.908 168 HA3 GLY 22 1HA GLY 22 -6.728 1.423 5.320 169 H PHE 23 H PHE 23 -5.443 2.263 2.929 170 HA PHE 23 HA PHE 23 -4.040 -0.210 2.227 171 HB2 PHE 23 2HB PHE 23 -5.343 -0.277 0.372 172 HB3 PHE 23 1HB PHE 23 -5.709 1.444 0.431 173 HD1 PHE 23 1HD PHE 23 -3.142 -1.027 -0.496 174 HD2 PHE 23 2HD PHE 23 -4.517 2.976 -0.773 175 HE1 PHE 23 1HE PHE 23 -1.480 -0.583 -2.240 176 HE2 PHE 23 2HE PHE 23 -2.857 3.428 -2.538 177 HZ PHE 23 HZ PHE 23 -1.348 1.620 -3.238 178 H THR 24 H THR 24 -1.928 0.076 2.020 179 HA THR 24 HA THR 24 -0.829 2.729 1.494 180 HB THR 24 HB THR 24 0.121 1.042 3.820 181 HG1 THR 24 1HG THR 24 -1.667 3.220 3.631 182 HG21 THR 24 3HG2 THR 24 1.878 2.389 2.771 183 HG22 THR 24 1HG2 THR 24 1.472 3.018 4.369 184 HG23 THR 24 2HG2 THR 24 0.872 3.832 2.922 185 H ARG 25 H ARG 25 0.306 2.303 -0.334 186 HA ARG 25 HA ARG 25 1.446 -0.286 -0.803 187 HB2 ARG 25 2HB ARG 25 2.220 0.593 -2.921 188 HB3 ARG 25 1HB ARG 25 0.553 1.082 -2.656 189 HG2 ARG 25 2HG ARG 25 1.224 3.318 -2.116 190 HG3 ARG 25 1HG ARG 25 2.930 2.861 -2.135 191 HD2 ARG 25 2HD ARG 25 2.748 3.776 -4.223 192 HD3 ARG 25 1HD ARG 25 2.345 2.101 -4.593 193 HE ARG 25 HE ARG 25 0.154 3.948 -4.008 194 HH11 ARG 25 1HH1 ARG 25 1.880 1.980 -6.326 195 HH12 ARG 25 2HH1 ARG 25 0.760 2.281 -7.615 196 HH21 ARG 25 1HH2 ARG 25 -1.375 4.294 -5.669 197 HH22 ARG 25 2HH2 ARG 25 -1.116 3.585 -7.234 198 H GLN 26 H GLN 26 3.305 -0.974 -0.017 199 HA GLN 26 HA GLN 26 5.209 1.015 0.996 200 HB2 GLN 26 2HB GLN 26 4.226 -0.788 2.498 201 HB3 GLN 26 1HB GLN 26 5.161 -1.947 1.571 202 HG2 GLN 26 2HG GLN 26 7.197 -1.065 2.319 203 HG3 GLN 26 1HG GLN 26 6.424 0.385 2.957 204 HE21 GLN 26 1HE2 GLN 26 5.101 -2.817 3.378 205 HE22 GLN 26 2HE2 GLN 26 5.395 -2.924 5.078 206 H LEU 27 H LEU 27 6.714 1.509 -0.456 207 HA LEU 27 HA LEU 27 7.331 -0.293 -2.618 208 HB2 LEU 27 2HB LEU 27 8.286 2.495 -1.977 209 HB3 LEU 27 1HB LEU 27 8.836 1.591 -3.371 210 HG LEU 27 HG LEU 27 6.357 1.463 -4.041 211 HD11 LEU 27 1HD1 LEU 27 5.402 2.167 -1.913 212 HD12 LEU 27 2HD1 LEU 27 4.953 3.282 -3.204 213 HD13 LEU 27 3HD1 LEU 27 6.214 3.727 -2.056 214 HD21 LEU 27 3HD2 LEU 27 7.806 4.106 -4.043 215 HD22 LEU 27 1HD2 LEU 27 6.473 3.663 -5.110 216 HD23 LEU 27 2HD2 LEU 27 8.009 2.805 -5.215 217 H ALA 28 H ALA 28 9.559 -0.693 -3.298 218 HA ALA 28 HA ALA 28 11.173 -1.704 -1.189 219 HB1 ALA 28 1HB ALA 28 11.009 -2.774 -3.408 220 HB2 ALA 28 2HB ALA 28 12.676 -2.407 -2.957 221 HB3 ALA 28 3HB ALA 28 11.828 -1.382 -4.118 222 H ASN 29 H ASN 29 11.657 0.840 -3.630 223 HA ASN 29 HA ASN 29 14.231 1.502 -2.598 224 HB2 ASN 29 2HB ASN 29 14.147 3.339 -4.315 225 HB3 ASN 29 1HB ASN 29 13.950 1.707 -4.939 226 HD21 ASN 29 1HD2 ASN 29 13.111 4.407 -5.920 227 HD22 ASN 29 2HD2 ASN 29 11.417 4.237 -6.250 228 H GLU 30 H GLU 30 11.673 2.054 -0.927 229 HA GLU 30 HA GLU 30 12.499 4.786 -0.223 230 HB2 GLU 30 2HB GLU 30 9.820 3.462 0.207 231 HB3 GLU 30 1HB GLU 30 10.273 4.999 0.929 232 HG2 GLU 30 2HG GLU 30 10.801 5.597 -1.599 233 HG3 GLU 30 1HG GLU 30 9.602 4.336 -1.879 234 H GLY 31 H GLY 31 13.602 2.102 0.548 235 HA2 GLY 31 2HA GLY 31 14.868 2.472 2.739 236 HA3 GLY 31 1HA GLY 31 13.270 2.397 3.460 237 H CYS 32 H CYS 32 12.853 0.272 1.151 238 HA CYS 32 HA CYS 32 13.974 -1.914 2.742 239 HB2 CYS 32 2HB CYS 32 11.435 -1.427 2.738 240 HB3 CYS 32 1HB CYS 32 11.472 -2.264 1.189 241 H ASP 33 H ASP 33 12.873 -3.889 0.865 242 HA ASP 33 HA ASP 33 14.684 -3.461 -1.413 243 HB2 ASP 33 2HB ASP 33 15.760 -4.877 0.326 244 HB3 ASP 33 1HB ASP 33 14.432 -6.024 0.190 245 H ILE 34 H ILE 34 11.750 -4.893 -0.184 246 HA ILE 34 HA ILE 34 11.033 -5.593 -2.955 247 HB ILE 34 HB ILE 34 9.796 -7.431 -2.282 248 HG12 ILE 34 2HG1 ILE 34 9.806 -6.465 0.587 249 HG13 ILE 34 1HG1 ILE 34 8.497 -6.156 -0.545 250 HG21 ILE 34 1HG2 ILE 34 12.152 -7.869 -1.878 251 HG22 ILE 34 2HG2 ILE 34 11.159 -8.730 -0.700 252 HG23 ILE 34 3HG2 ILE 34 11.999 -7.249 -0.231 253 HD11 ILE 34 3HD1 ILE 34 7.998 -8.020 0.936 254 HD12 ILE 34 1HD1 ILE 34 9.432 -8.869 0.360 255 HD13 ILE 34 2HD1 ILE 34 8.094 -8.546 -0.746 256 H ASN 35 H ASN 35 8.607 -5.492 -3.317 257 HA ASN 35 HA ASN 35 7.511 -3.123 -1.966 258 HB2 ASN 35 2HB ASN 35 6.674 -4.455 -4.558 259 HB3 ASN 35 1HB ASN 35 5.908 -3.035 -3.860 260 HD21 ASN 35 1HD2 ASN 35 6.852 -1.075 -4.065 261 HD22 ASN 35 2HD2 ASN 35 8.236 -0.794 -5.060 262 H ALA 36 H ALA 36 5.801 -3.303 -0.658 263 HA ALA 36 HA ALA 36 4.202 -5.773 -0.742 264 HB1 ALA 36 1HB ALA 36 5.138 -4.377 1.765 265 HB2 ALA 36 2HB ALA 36 5.737 -5.920 1.157 266 HB3 ALA 36 3HB ALA 36 4.066 -5.776 1.699 267 H ILE 37 H ILE 37 2.089 -5.385 -0.929 268 HA ILE 37 HA ILE 37 1.145 -2.640 -0.763 269 HB ILE 37 HB ILE 37 -0.328 -5.134 -1.629 270 HG12 ILE 37 2HG1 ILE 37 1.578 -4.690 -3.090 271 HG13 ILE 37 1HG1 ILE 37 0.070 -4.337 -3.929 272 HG21 ILE 37 1HG2 ILE 37 -1.851 -3.390 -0.927 273 HG22 ILE 37 2HG2 ILE 37 -1.902 -3.567 -2.682 274 HG23 ILE 37 3HG2 ILE 37 -1.023 -2.224 -1.956 275 HD11 ILE 37 3HD1 ILE 37 1.907 -2.313 -2.669 276 HD12 ILE 37 1HD1 ILE 37 0.406 -1.961 -3.525 277 HD13 ILE 37 2HD1 ILE 37 1.770 -2.666 -4.393 278 H ILE 38 H ILE 38 0.829 -2.092 1.369 279 HA ILE 38 HA ILE 38 -0.205 -3.978 3.268 280 HB ILE 38 HB ILE 38 0.120 -0.989 3.577 281 HG12 ILE 38 2HG1 ILE 38 1.966 -3.209 4.468 282 HG13 ILE 38 1HG1 ILE 38 2.238 -2.207 3.046 283 HG21 ILE 38 1HG2 ILE 38 -0.239 -3.175 5.624 284 HG22 ILE 38 2HG2 ILE 38 -1.419 -1.934 5.199 285 HG23 ILE 38 3HG2 ILE 38 0.094 -1.481 5.986 286 HD11 ILE 38 3HD1 ILE 38 2.098 -1.235 5.892 287 HD12 ILE 38 1HD1 ILE 38 2.382 -0.231 4.468 288 HD13 ILE 38 2HD1 ILE 38 3.563 -1.455 4.933 289 H PHE 39 H PHE 39 -2.276 -4.623 2.946 290 HA PHE 39 HA PHE 39 -4.315 -2.532 2.652 291 HB2 PHE 39 2HB PHE 39 -4.475 -5.540 2.436 292 HB3 PHE 39 1HB PHE 39 -5.908 -4.524 2.531 293 HD1 PHE 39 2HD PHE 39 -5.062 -2.237 0.804 294 HD2 PHE 39 1HD PHE 39 -4.589 -6.440 0.326 295 HE1 PHE 39 2HE PHE 39 -4.984 -1.937 -1.653 296 HE2 PHE 39 1HE PHE 39 -4.505 -6.170 -2.104 297 HZ PHE 39 HZ PHE 39 -4.688 -3.925 -3.100 298 H HIS 40 H HIS 40 -5.154 -1.724 4.410 299 HA HIS 40 HA HIS 40 -4.700 -3.056 6.958 300 HB2 HIS 40 2HB HIS 40 -6.066 -0.395 6.490 301 HB3 HIS 40 1HB HIS 40 -5.373 -0.986 7.994 302 HD1 HIS 40 1HD HIS 40 -3.080 -0.077 8.494 303 HD2 HIS 40 2HD HIS 40 -3.965 -0.034 4.429 304 HE1 HIS 40 1HE HIS 40 -1.134 1.072 7.363 305 HE2 HIS 40 2HE HIS 40 -1.844 1.338 4.978 306 H THR 41 H THR 41 -6.119 -4.593 7.440 307 HA THR 41 HA THR 41 -8.742 -4.646 6.303 308 HB THR 41 HB THR 41 -9.056 -6.672 7.714 309 HG1 THR 41 1HG THR 41 -6.314 -6.444 8.405 310 HG21 THR 41 3HG2 THR 41 -7.403 -8.057 6.543 311 HG22 THR 41 1HG2 THR 41 -6.503 -6.605 6.098 312 HG23 THR 41 2HG2 THR 41 -8.125 -6.869 5.461 313 H LYS 42 H LYS 42 -10.693 -4.888 7.594 314 HA LYS 42 HA LYS 42 -10.913 -2.906 9.649 315 HB2 LYS 42 2HB LYS 42 -12.725 -3.668 7.977 316 HB3 LYS 42 1HB LYS 42 -12.961 -5.038 9.053 317 HG2 LYS 42 2HG LYS 42 -13.616 -3.619 10.850 318 HG3 LYS 42 1HG LYS 42 -13.158 -2.175 9.947 319 HD2 LYS 42 2HD LYS 42 -14.902 -2.657 8.303 320 HD3 LYS 42 1HD LYS 42 -15.372 -4.088 9.220 321 HE2 LYS 42 2HE LYS 42 -16.858 -2.226 9.713 322 HE3 LYS 42 1HE LYS 42 -15.932 -2.686 11.136 323 HZ1 LYS 42 3HZ LYS 42 -15.251 -0.412 9.348 324 HZ2 LYS 42 1HZ LYS 42 -14.487 -0.815 10.810 325 HZ3 LYS 42 2HZ LYS 42 -16.094 -0.262 10.808 326 H LYS 43 H LYS 43 -9.482 -5.752 9.649 327 HA LYS 43 HA LYS 43 -10.331 -6.738 12.219 328 HB2 LYS 43 2HB LYS 43 -9.676 -8.281 10.399 329 HB3 LYS 43 1HB LYS 43 -8.061 -7.589 10.409 330 HG2 LYS 43 2HG LYS 43 -7.836 -9.561 11.598 331 HG3 LYS 43 1HG LYS 43 -7.968 -8.333 12.856 332 HD2 LYS 43 2HD LYS 43 -9.353 -10.132 13.527 333 HD3 LYS 43 1HD LYS 43 -10.431 -8.858 12.948 334 HE2 LYS 43 2HE LYS 43 -10.752 -9.988 10.861 335 HE3 LYS 43 1HE LYS 43 -9.512 -11.179 11.252 336 HZ1 LYS 43 3HZ LYS 43 -10.937 -11.854 13.158 337 HZ2 LYS 43 1HZ LYS 43 -11.624 -12.167 11.640 338 HZ3 LYS 43 2HZ LYS 43 -12.158 -10.849 12.556 339 H LYS 44 H LYS 44 -8.570 -4.210 11.230 340 HA LYS 44 HA LYS 44 -7.073 -2.784 12.151 341 HB2 LYS 44 2HB LYS 44 -7.113 -4.602 14.566 342 HB3 LYS 44 1HB LYS 44 -6.374 -3.012 14.496 343 HG2 LYS 44 2HG LYS 44 -8.629 -2.061 14.036 344 HG3 LYS 44 1HG LYS 44 -9.302 -3.671 14.321 345 HD2 LYS 44 2HD LYS 44 -7.732 -1.990 16.274 346 HD3 LYS 44 1HD LYS 44 -9.455 -2.366 16.353 347 HE2 LYS 44 2HE LYS 44 -9.000 -4.683 16.744 348 HE3 LYS 44 1HE LYS 44 -7.283 -4.455 16.416 349 HZ1 LYS 44 3HZ LYS 44 -7.568 -4.583 18.751 350 HZ2 LYS 44 1HZ LYS 44 -8.812 -3.431 18.747 351 HZ3 LYS 44 2HZ LYS 44 -7.225 -2.963 18.386 352 H LEU 45 H LEU 45 -6.431 -5.555 10.915 353 HA LEU 45 HA LEU 45 -3.604 -5.630 11.706 354 HB2 LEU 45 2HB LEU 45 -5.318 -7.761 10.430 355 HB3 LEU 45 1HB LEU 45 -3.589 -7.906 10.675 356 HG LEU 45 HG LEU 45 -5.651 -7.621 12.860 357 HD11 LEU 45 1HD1 LEU 45 -3.988 -9.985 11.998 358 HD12 LEU 45 2HD1 LEU 45 -5.728 -9.797 11.773 359 HD13 LEU 45 3HD1 LEU 45 -5.059 -9.930 13.399 360 HD21 LEU 45 3HD2 LEU 45 -3.497 -6.577 13.422 361 HD22 LEU 45 1HD2 LEU 45 -2.679 -8.094 13.051 362 HD23 LEU 45 2HD2 LEU 45 -3.818 -8.013 14.395 363 H SER 46 H SER 46 -2.118 -5.029 10.297 364 HA SER 46 HA SER 46 -2.870 -4.201 7.648 365 HB2 SER 46 2HB SER 46 -0.363 -3.684 7.505 366 HB3 SER 46 1HB SER 46 -1.280 -2.804 8.730 367 HG SER 46 HG SER 46 0.303 -5.128 9.148 368 H VAL 47 H VAL 47 -3.209 -5.730 6.175 369 HA VAL 47 HA VAL 47 -1.605 -8.169 6.240 370 HB VAL 47 HB VAL 47 -4.000 -7.467 4.530 371 HG11 VAL 47 1HG1 VAL 47 -2.564 -10.098 4.878 372 HG12 VAL 47 2HG1 VAL 47 -2.548 -9.088 3.433 373 HG13 VAL 47 3HG1 VAL 47 -4.049 -9.850 3.960 374 HG21 VAL 47 3HG2 VAL 47 -3.771 -9.209 6.985 375 HG22 VAL 47 1HG2 VAL 47 -5.205 -9.068 5.968 376 HG23 VAL 47 2HG2 VAL 47 -4.616 -7.665 6.863 377 H CYS 48 H CYS 48 0.012 -8.542 4.819 378 HA CYS 48 HA CYS 48 0.665 -6.324 3.071 379 HB2 CYS 48 2HB CYS 48 2.293 -8.772 3.776 380 HB3 CYS 48 1HB CYS 48 2.875 -7.334 2.935 381 H ALA 49 H ALA 49 -0.427 -6.430 1.274 382 HA ALA 49 HA ALA 49 -1.115 -8.910 0.018 383 HB1 ALA 49 1HB ALA 49 -2.202 -7.462 -1.639 384 HB2 ALA 49 2HB ALA 49 -1.479 -6.051 -0.861 385 HB3 ALA 49 3HB ALA 49 -2.649 -7.036 0.014 386 H ASN 50 H ASN 50 -0.361 -9.718 -1.887 387 HA ASN 50 HA ASN 50 2.351 -9.034 -2.579 388 HB2 ASN 50 2HB ASN 50 0.452 -11.065 -3.794 389 HB3 ASN 50 1HB ASN 50 2.157 -10.906 -4.192 390 HD21 ASN 50 1HD2 ASN 50 0.937 -10.576 -0.910 391 HD22 ASN 50 2HD2 ASN 50 1.590 -12.079 -0.343 392 HA PRO 51 HA PRO 51 1.119 -6.215 -5.827 393 HB2 PRO 51 2HB PRO 51 3.862 -6.628 -6.836 394 HB3 PRO 51 1HB PRO 51 3.074 -5.141 -6.304 395 HG2 PRO 51 2HG PRO 51 4.983 -6.311 -4.836 396 HG3 PRO 51 1HG PRO 51 3.597 -5.499 -4.084 397 HD2 PRO 51 2HD PRO 51 4.072 -8.425 -4.512 398 HD3 PRO 51 1HD PRO 51 3.410 -7.590 -3.090 399 H LYS 52 H LYS 52 2.120 -9.410 -6.131 400 HA LYS 52 HA LYS 52 2.243 -9.661 -8.972 401 HB2 LYS 52 2HB LYS 52 1.944 -11.706 -6.760 402 HB3 LYS 52 1HB LYS 52 2.206 -12.111 -8.450 403 HG2 LYS 52 2HG LYS 52 4.387 -11.023 -8.396 404 HG3 LYS 52 1HG LYS 52 4.116 -10.546 -6.716 405 HD2 LYS 52 2HD LYS 52 4.098 -12.843 -6.005 406 HD3 LYS 52 1HD LYS 52 4.125 -13.408 -7.673 407 HE2 LYS 52 2HE LYS 52 6.321 -13.660 -6.746 408 HE3 LYS 52 1HE LYS 52 6.364 -12.363 -7.935 409 HZ1 LYS 52 3HZ LYS 52 6.232 -12.011 -4.990 410 HZ2 LYS 52 1HZ LYS 52 6.279 -10.754 -6.132 411 HZ3 LYS 52 2HZ LYS 52 7.605 -11.795 -5.957 412 H GLN 53 H GLN 53 -0.279 -9.700 -6.627 413 HA GLN 53 HA GLN 53 -2.019 -11.485 -8.086 414 HB2 GLN 53 2HB GLN 53 -2.928 -9.922 -5.718 415 HB3 GLN 53 1HB GLN 53 -3.236 -11.604 -6.139 416 HG2 GLN 53 2HG GLN 53 -0.933 -12.151 -5.573 417 HG3 GLN 53 1HG GLN 53 -0.640 -10.481 -5.142 418 HE21 GLN 53 1HE2 GLN 53 -1.595 -9.633 -3.303 419 HE22 GLN 53 2HE2 GLN 53 -2.117 -10.682 -2.029 420 H THR 54 H THR 54 -3.844 -10.968 -9.217 421 HA THR 54 HA THR 54 -4.137 -8.256 -10.106 422 HB THR 54 HB THR 54 -6.283 -9.306 -11.176 423 HG1 THR 54 1HG THR 54 -5.466 -11.697 -11.474 424 HG21 THR 54 3HG2 THR 54 -4.900 -10.132 -13.039 425 HG22 THR 54 1HG2 THR 54 -3.477 -10.066 -11.994 426 HG23 THR 54 2HG2 THR 54 -4.331 -8.581 -12.420 427 H TRP 55 H TRP 55 -5.863 -10.329 -7.820 428 HA TRP 55 HA TRP 55 -8.054 -8.635 -7.410 429 HB2 TRP 55 2HB TRP 55 -8.438 -9.748 -5.342 430 HB3 TRP 55 1HB TRP 55 -7.865 -10.945 -6.484 431 HD1 TRP 55 HD TRP 55 -5.514 -12.004 -5.975 432 HE1 TRP 55 1HE TRP 55 -4.046 -12.083 -3.934 433 HE3 TRP 55 3HE TRP 55 -7.735 -8.371 -3.453 434 HZ2 TRP 55 2HZ TRP 55 -3.838 -10.699 -1.495 435 HZ3 TRP 55 3HZ TRP 55 -6.893 -7.761 -1.339 436 HH2 TRP 55 HH TRP 55 -5.006 -8.873 -0.299 437 H VAL 56 H VAL 56 -4.805 -8.577 -6.232 438 HA VAL 56 HA VAL 56 -5.070 -6.355 -4.499 439 HB VAL 56 HB VAL 56 -2.726 -7.603 -5.912 440 HG11 VAL 56 1HG1 VAL 56 -2.671 -5.244 -4.047 441 HG12 VAL 56 2HG1 VAL 56 -2.244 -5.233 -5.758 442 HG13 VAL 56 3HG1 VAL 56 -1.263 -6.143 -4.611 443 HG21 VAL 56 3HG2 VAL 56 -3.535 -7.396 -3.025 444 HG22 VAL 56 1HG2 VAL 56 -2.072 -8.178 -3.626 445 HG23 VAL 56 2HG2 VAL 56 -3.655 -8.827 -4.047 446 H LYS 57 H LYS 57 -3.891 -6.668 -7.837 447 HA LYS 57 HA LYS 57 -3.419 -3.997 -8.363 448 HB2 LYS 57 2HB LYS 57 -4.403 -6.131 -10.261 449 HB3 LYS 57 1HB LYS 57 -3.749 -4.575 -10.757 450 HG2 LYS 57 2HG LYS 57 -1.608 -5.143 -9.712 451 HG3 LYS 57 1HG LYS 57 -2.264 -6.710 -9.234 452 HD2 LYS 57 2HD LYS 57 -2.622 -7.263 -11.603 453 HD3 LYS 57 1HD LYS 57 -1.926 -5.705 -12.060 454 HE2 LYS 57 2HE LYS 57 -0.533 -7.948 -10.598 455 HE3 LYS 57 1HE LYS 57 -0.261 -7.458 -12.269 456 HZ1 LYS 57 3HZ LYS 57 0.395 -5.941 -9.809 457 HZ2 LYS 57 1HZ LYS 57 0.405 -5.232 -11.347 458 HZ3 LYS 57 2HZ LYS 57 1.460 -6.508 -10.986 459 H TYR 58 H TYR 58 -6.446 -5.797 -8.542 460 HA TYR 58 HA TYR 58 -8.004 -3.739 -9.629 461 HB2 TYR 58 2HB TYR 58 -9.054 -5.808 -9.690 462 HB3 TYR 58 1HB TYR 58 -8.575 -6.214 -8.045 463 HD1 TYR 58 2HD TYR 58 -10.755 -3.778 -9.876 464 HD2 TYR 58 1HD TYR 58 -10.167 -6.131 -6.382 465 HE1 TYR 58 2HE TYR 58 -12.950 -3.068 -9.033 466 HE2 TYR 58 1HE TYR 58 -12.356 -5.427 -5.528 467 HH TYR 58 HH TYR 58 -14.639 -3.701 -7.482 468 H ILE 59 H ILE 59 -7.487 -4.709 -6.239 469 HA ILE 59 HA ILE 59 -9.121 -2.715 -5.113 470 HB ILE 59 HB ILE 59 -6.787 -4.155 -3.835 471 HG12 ILE 59 2HG1 ILE 59 -9.759 -4.712 -3.732 472 HG13 ILE 59 1HG1 ILE 59 -8.592 -5.637 -4.664 473 HG21 ILE 59 1HG2 ILE 59 -7.894 -3.560 -1.709 474 HG22 ILE 59 2HG2 ILE 59 -9.051 -2.577 -2.607 475 HG23 ILE 59 3HG2 ILE 59 -7.341 -2.142 -2.598 476 HD11 ILE 59 3HD1 ILE 59 -8.614 -5.375 -1.674 477 HD12 ILE 59 1HD1 ILE 59 -7.492 -6.347 -2.630 478 HD13 ILE 59 2HD1 ILE 59 -9.208 -6.756 -2.596 479 H VAL 60 H VAL 60 -5.595 -2.812 -5.651 480 HA VAL 60 HA VAL 60 -5.083 -0.377 -4.328 481 HB VAL 60 HB VAL 60 -3.295 -1.960 -4.682 482 HG11 VAL 60 1HG1 VAL 60 -3.510 -1.279 -7.615 483 HG12 VAL 60 2HG1 VAL 60 -3.946 -2.821 -6.876 484 HG13 VAL 60 3HG1 VAL 60 -2.263 -2.285 -6.877 485 HG21 VAL 60 3HG2 VAL 60 -2.653 0.358 -4.379 486 HG22 VAL 60 1HG2 VAL 60 -2.791 0.645 -6.115 487 HG23 VAL 60 2HG2 VAL 60 -1.543 -0.436 -5.497 488 H ARG 61 H ARG 61 -5.857 -1.037 -7.728 489 HA ARG 61 HA ARG 61 -5.376 1.627 -8.597 490 HB2 ARG 61 2HB ARG 61 -7.083 -0.566 -9.759 491 HB3 ARG 61 1HB ARG 61 -6.876 1.000 -10.534 492 HG2 ARG 61 2HG ARG 61 -4.456 0.605 -10.643 493 HG3 ARG 61 1HG ARG 61 -4.699 -0.984 -9.917 494 HD2 ARG 61 2HD ARG 61 -5.784 -0.022 -12.560 495 HD3 ARG 61 1HD ARG 61 -4.501 -1.208 -12.312 496 HE ARG 61 HE ARG 61 -7.272 -1.679 -11.395 497 HH11 ARG 61 1HH1 ARG 61 -4.364 -2.728 -13.052 498 HH12 ARG 61 2HH1 ARG 61 -5.004 -4.308 -13.426 499 HH21 ARG 61 1HH2 ARG 61 -8.108 -3.721 -11.892 500 HH22 ARG 61 2HH2 ARG 61 -7.146 -4.868 -12.771 501 H LEU 62 H LEU 62 -8.076 -0.001 -7.139 502 HA LEU 62 HA LEU 62 -9.966 2.111 -7.532 503 HB2 LEU 62 2HB LEU 62 -10.531 -0.297 -7.123 504 HB3 LEU 62 1HB LEU 62 -9.979 -0.096 -5.471 505 HG LEU 62 HG LEU 62 -11.749 1.661 -5.173 506 HD11 LEU 62 1HD1 LEU 62 -13.593 1.689 -6.796 507 HD12 LEU 62 2HD1 LEU 62 -12.663 0.629 -7.857 508 HD13 LEU 62 3HD1 LEU 62 -12.079 2.256 -7.501 509 HD21 LEU 62 3HD2 LEU 62 -12.692 -1.097 -5.951 510 HD22 LEU 62 1HD2 LEU 62 -13.574 0.054 -4.949 511 HD23 LEU 62 2HD2 LEU 62 -12.053 -0.628 -4.376 512 H LEU 63 H LEU 63 -7.818 1.070 -4.947 513 HA LEU 63 HA LEU 63 -8.611 2.937 -2.999 514 HB2 LEU 63 2HB LEU 63 -6.486 0.988 -3.363 515 HB3 LEU 63 1HB LEU 63 -6.009 2.367 -2.396 516 HG LEU 63 HG LEU 63 -6.847 0.451 -1.060 517 HD11 LEU 63 1HD1 LEU 63 -8.536 2.936 -0.885 518 HD12 LEU 63 2HD1 LEU 63 -6.925 2.725 -0.195 519 HD13 LEU 63 3HD1 LEU 63 -8.272 1.753 0.397 520 HD21 LEU 63 3HD2 LEU 63 -9.476 1.105 -2.382 521 HD22 LEU 63 1HD2 LEU 63 -9.261 0.030 -0.999 522 HD23 LEU 63 2HD2 LEU 63 -8.552 -0.388 -2.558 523 H SER 64 H SER 64 -6.432 3.173 -5.681 524 HA SER 64 HA SER 64 -4.971 5.416 -4.701 525 HB2 SER 64 2HB SER 64 -4.224 3.734 -6.475 526 HB3 SER 64 1HB SER 64 -5.267 4.609 -7.595 527 HG SER 64 HG SER 64 -3.135 5.752 -6.096 528 H LYS 65 H LYS 65 -7.960 5.022 -6.454 529 HA LYS 65 HA LYS 65 -8.272 7.936 -6.477 530 HB2 LYS 65 2HB LYS 65 -9.316 7.832 -8.730 531 HB3 LYS 65 1HB LYS 65 -7.609 7.419 -8.735 532 HG2 LYS 65 2HG LYS 65 -8.172 5.051 -8.868 533 HG3 LYS 65 1HG LYS 65 -9.890 5.455 -8.836 534 HD2 LYS 65 2HD LYS 65 -9.177 5.045 -11.116 535 HD3 LYS 65 1HD LYS 65 -9.600 6.745 -10.912 536 HE2 LYS 65 2HE LYS 65 -7.571 6.547 -12.214 537 HE3 LYS 65 1HE LYS 65 -7.212 7.286 -10.655 538 HZ1 LYS 65 3HZ LYS 65 -6.715 4.475 -11.456 539 HZ2 LYS 65 1HZ LYS 65 -6.508 5.063 -9.881 540 HZ3 LYS 65 2HZ LYS 65 -5.550 5.669 -11.135 541 H LYS 66 H LYS 66 -9.334 6.481 -4.532 542 HA LYS 66 HA LYS 66 -11.923 5.423 -5.135 543 HB2 LYS 66 2HB LYS 66 -10.530 4.627 -3.237 544 HB3 LYS 66 1HB LYS 66 -10.748 6.186 -2.455 545 HG2 LYS 66 2HG LYS 66 -13.239 5.723 -2.552 546 HG3 LYS 66 1HG LYS 66 -12.808 4.067 -2.985 547 HD2 LYS 66 2HD LYS 66 -13.188 4.258 -0.586 548 HD3 LYS 66 1HD LYS 66 -11.497 3.879 -0.915 549 HE2 LYS 66 2HE LYS 66 -11.740 5.605 0.825 550 HE3 LYS 66 1HE LYS 66 -10.884 6.206 -0.595 551 HZ1 LYS 66 3HZ LYS 66 -12.979 7.191 -1.357 552 HZ2 LYS 66 1HZ LYS 66 -12.491 7.826 0.138 553 HZ3 LYS 66 2HZ LYS 66 -13.743 6.679 0.068 554 H VAL 67 H VAL 67 -13.044 7.081 -6.144 555 HA VAL 67 HA VAL 67 -13.776 9.383 -4.456 556 HB VAL 67 HB VAL 67 -14.324 10.572 -6.572 557 HG11 VAL 67 1HG1 VAL 67 -12.195 10.992 -5.505 558 HG12 VAL 67 2HG1 VAL 67 -11.982 10.981 -7.258 559 HG13 VAL 67 3HG1 VAL 67 -11.487 9.585 -6.301 560 HG21 VAL 67 3HG2 VAL 67 -14.706 8.642 -8.006 561 HG22 VAL 67 1HG2 VAL 67 -13.005 8.194 -7.877 562 HG23 VAL 67 2HG2 VAL 67 -13.464 9.690 -8.692 563 H LYS 68 H LYS 68 -15.998 10.330 -5.517 564 HA LYS 68 HA LYS 68 -17.873 8.079 -5.323 565 HB2 LYS 68 2HB LYS 68 -18.322 11.038 -4.904 566 HB3 LYS 68 1HB LYS 68 -19.573 9.812 -4.784 567 HG2 LYS 68 2HG LYS 68 -17.125 10.015 -3.031 568 HG3 LYS 68 1HG LYS 68 -18.770 10.481 -2.586 569 HD2 LYS 68 2HD LYS 68 -17.849 7.701 -3.317 570 HD3 LYS 68 1HD LYS 68 -18.177 8.281 -1.686 571 HE2 LYS 68 2HE LYS 68 -20.184 8.081 -3.933 572 HE3 LYS 68 1HE LYS 68 -20.050 6.969 -2.573 573 HZ1 LYS 68 3HZ LYS 68 -20.520 8.882 -1.089 574 HZ2 LYS 68 1HZ LYS 68 -21.797 8.510 -2.140 575 HZ3 LYS 68 2HZ LYS 68 -20.803 9.839 -2.463 576 H ASN 69 H ASN 69 -17.200 10.983 -7.244 577 HA ASN 69 HA ASN 69 -19.115 10.004 -9.252 578 HB2 ASN 69 2HB ASN 69 -19.569 12.274 -8.367 579 HB3 ASN 69 1HB ASN 69 -17.987 12.799 -8.928 580 HD21 ASN 69 1HD2 ASN 69 -21.217 11.917 -9.854 581 HD22 ASN 69 2HD2 ASN 69 -21.111 12.468 -11.492 582 H MET 70 H MET 70 -18.455 9.585 -11.306 583 HA MET 70 HA MET 70 -15.551 9.652 -11.770 584 HB2 MET 70 2HB MET 70 -17.658 7.783 -12.873 585 HB3 MET 70 1HB MET 70 -15.965 7.770 -13.348 586 HG2 MET 70 2HG MET 70 -15.317 7.216 -11.070 587 HG3 MET 70 1HG MET 70 -17.007 7.266 -10.570 588 HE1 MET 70 3HE MET 70 -18.851 5.572 -11.430 589 HE2 MET 70 1HE MET 70 -18.531 4.245 -12.547 590 HE3 MET 70 2HE MET 70 -18.435 5.914 -13.107 Start of MODEL 6 1 H1 ALA 1 1HT ALA 1 18.627 5.037 2.237 2 H2 ALA 1 2HT ALA 1 18.920 6.709 2.278 3 H3 ALA 1 3HT ALA 1 17.472 6.116 1.619 4 HA ALA 1 HA ALA 1 18.296 5.830 4.452 5 HB1 ALA 1 1HB ALA 1 17.808 8.164 3.869 6 HB2 ALA 1 2HB ALA 1 16.592 7.494 4.955 7 HB3 ALA 1 3HB ALA 1 16.236 7.675 3.238 8 H SER 2 H SER 2 16.986 4.584 5.680 9 HA SER 2 HA SER 2 14.695 3.326 4.335 10 HB2 SER 2 2HB SER 2 15.144 1.511 6.195 11 HB3 SER 2 1HB SER 2 16.109 1.529 4.717 12 HG SER 2 HG SER 2 17.770 1.717 5.977 13 H ASN 3 H ASN 3 12.907 4.253 5.007 14 HA ASN 3 HA ASN 3 12.631 5.303 7.688 15 HB2 ASN 3 2HB ASN 3 11.616 6.465 5.752 16 HB3 ASN 3 1HB ASN 3 10.590 5.067 5.461 17 HD21 ASN 3 1HD2 ASN 3 8.726 6.290 5.693 18 HD22 ASN 3 2HD2 ASN 3 8.170 6.848 7.241 19 H PHE 4 H PHE 4 11.283 2.664 5.764 20 HA PHE 4 HA PHE 4 10.530 1.314 8.257 21 HB2 PHE 4 2HB PHE 4 8.539 0.374 7.049 22 HB3 PHE 4 1HB PHE 4 8.455 2.093 7.362 23 HD1 PHE 4 2HD PHE 4 10.144 0.207 4.618 24 HD2 PHE 4 1HD PHE 4 7.139 3.014 5.723 25 HE1 PHE 4 2HE PHE 4 9.640 0.595 2.248 26 HE2 PHE 4 1HE PHE 4 6.626 3.400 3.346 27 HZ PHE 4 HZ PHE 4 7.877 2.176 1.609 28 H ASP 5 H ASP 5 9.707 -1.047 7.390 29 HA ASP 5 HA ASP 5 11.648 -2.056 5.458 30 HB2 ASP 5 2HB ASP 5 12.721 -2.493 7.545 31 HB3 ASP 5 1HB ASP 5 11.240 -3.121 8.251 32 H CYS 6 H CYS 6 10.303 -2.618 3.927 33 HA CYS 6 HA CYS 6 7.745 -3.438 3.911 34 HB2 CYS 6 2HB CYS 6 10.062 -4.150 2.122 35 HB3 CYS 6 1HB CYS 6 8.396 -4.550 1.727 36 H CYS 7 H CYS 7 6.637 -5.361 3.841 37 HA CYS 7 HA CYS 7 7.137 -7.284 5.716 38 HB2 CYS 7 2HB CYS 7 5.580 -7.649 3.151 39 HB3 CYS 7 1HB CYS 7 5.433 -8.646 4.591 40 H LEU 8 H LEU 8 8.603 -8.843 5.895 41 HA LEU 8 HA LEU 8 10.321 -9.669 3.813 42 HB2 LEU 8 2HB LEU 8 9.668 -11.117 6.385 43 HB3 LEU 8 1HB LEU 8 11.068 -11.396 5.364 44 HG LEU 8 HG LEU 8 10.493 -8.828 6.844 45 HD11 LEU 8 1HD1 LEU 8 12.352 -9.504 8.298 46 HD12 LEU 8 2HD1 LEU 8 12.435 -11.053 7.456 47 HD13 LEU 8 3HD1 LEU 8 10.998 -10.631 8.385 48 HD21 LEU 8 3HD2 LEU 8 12.951 -9.720 5.333 49 HD22 LEU 8 1HD2 LEU 8 12.752 -8.200 6.205 50 HD23 LEU 8 2HD2 LEU 8 11.779 -8.528 4.771 51 H GLY 9 H GLY 9 7.187 -10.712 4.832 52 HA2 GLY 9 2HA GLY 9 7.197 -12.719 2.683 53 HA3 GLY 9 1HA GLY 9 6.562 -13.125 4.268 54 H TYR 10 H TYR 10 5.474 -12.686 1.404 55 HA TYR 10 HA TYR 10 3.398 -10.702 1.956 56 HB2 TYR 10 2HB TYR 10 3.969 -12.340 -0.518 57 HB3 TYR 10 1HB TYR 10 2.723 -11.116 -0.385 58 HD1 TYR 10 2HD TYR 10 6.406 -11.541 -0.072 59 HD2 TYR 10 1HD TYR 10 3.184 -8.932 -1.043 60 HE1 TYR 10 2HE TYR 10 8.016 -9.860 -0.861 61 HE2 TYR 10 1HE TYR 10 4.789 -7.250 -1.837 62 HH TYR 10 HH TYR 10 6.979 -6.640 -1.808 63 H THR 11 H THR 11 1.132 -11.497 0.949 64 HA THR 11 HA THR 11 0.573 -14.142 2.118 65 HB THR 11 HB THR 11 -0.110 -12.115 3.521 66 HG1 THR 11 1HG THR 11 -1.288 -13.661 4.349 67 HG21 THR 11 3HG2 THR 11 -2.231 -11.062 2.971 68 HG22 THR 11 1HG2 THR 11 -2.284 -11.951 1.446 69 HG23 THR 11 2HG2 THR 11 -1.023 -10.748 1.726 70 H ASP 12 H ASP 12 -0.557 -15.505 0.871 71 HA ASP 12 HA ASP 12 -1.746 -14.491 -1.602 72 HB2 ASP 12 2HB ASP 12 -0.116 -16.397 -1.766 73 HB3 ASP 12 1HB ASP 12 -1.249 -17.382 -0.846 74 H ARG 13 H ARG 13 -3.346 -13.576 -0.178 75 HA ARG 13 HA ARG 13 -5.450 -15.456 0.656 76 HB2 ARG 13 2HB ARG 13 -5.271 -12.468 1.089 77 HB3 ARG 13 1HB ARG 13 -6.441 -13.558 1.810 78 HG2 ARG 13 2HG ARG 13 -3.498 -13.800 2.322 79 HG3 ARG 13 1HG ARG 13 -4.543 -12.751 3.279 80 HD2 ARG 13 2HD ARG 13 -5.985 -14.854 3.614 81 HD3 ARG 13 1HD ARG 13 -4.568 -15.739 3.051 82 HE ARG 13 HE ARG 13 -3.421 -14.365 4.942 83 HH11 ARG 13 1HH1 ARG 13 -6.579 -15.880 5.025 84 HH12 ARG 13 2HH1 ARG 13 -6.623 -15.989 6.760 85 HH21 ARG 13 1HH2 ARG 13 -3.468 -14.493 7.211 86 HH22 ARG 13 2HH2 ARG 13 -4.835 -15.204 8.004 87 H ILE 14 H ILE 14 -7.732 -14.463 0.253 88 HA ILE 14 HA ILE 14 -7.769 -12.665 -2.075 89 HB ILE 14 HB ILE 14 -9.687 -14.911 -1.482 90 HG12 ILE 14 2HG1 ILE 14 -7.602 -15.248 -2.922 91 HG13 ILE 14 1HG1 ILE 14 -9.136 -15.750 -3.615 92 HG21 ILE 14 1HG2 ILE 14 -10.100 -12.630 -3.402 93 HG22 ILE 14 2HG2 ILE 14 -11.025 -12.932 -1.932 94 HG23 ILE 14 3HG2 ILE 14 -11.123 -14.064 -3.283 95 HD11 ILE 14 3HD1 ILE 14 -9.238 -13.699 -4.917 96 HD12 ILE 14 1HD1 ILE 14 -7.752 -14.595 -5.244 97 HD13 ILE 14 2HD1 ILE 14 -7.712 -13.169 -4.206 98 H LEU 15 H LEU 15 -7.750 -10.908 -0.726 99 HA LEU 15 HA LEU 15 -9.933 -10.628 1.207 100 HB2 LEU 15 2HB LEU 15 -7.401 -9.035 0.799 101 HB3 LEU 15 1HB LEU 15 -8.640 -8.634 1.984 102 HG LEU 15 HG LEU 15 -7.817 -11.379 2.278 103 HD11 LEU 15 1HD1 LEU 15 -5.517 -10.961 3.003 104 HD12 LEU 15 2HD1 LEU 15 -5.644 -9.295 2.437 105 HD13 LEU 15 3HD1 LEU 15 -5.733 -10.629 1.282 106 HD21 LEU 15 3HD2 LEU 15 -7.447 -10.666 4.569 107 HD22 LEU 15 1HD2 LEU 15 -8.974 -10.034 3.951 108 HD23 LEU 15 2HD2 LEU 15 -7.568 -8.976 4.074 109 H HIS 16 H HIS 16 -10.954 -8.375 1.251 110 HA HIS 16 HA HIS 16 -11.298 -7.465 -1.528 111 HB2 HIS 16 2HB HIS 16 -13.492 -8.148 0.423 112 HB3 HIS 16 1HB HIS 16 -13.740 -7.376 -1.137 113 HD1 HIS 16 1HD HIS 16 -15.165 -9.900 -0.627 114 HD2 HIS 16 2HD HIS 16 -11.327 -9.824 -2.227 115 HE1 HIS 16 1HE HIS 16 -14.949 -12.003 -1.892 116 HE2 HIS 16 2HE HIS 16 -12.731 -11.860 -3.072 117 HA PRO 17 HA PRO 17 -11.871 -3.297 0.166 118 HB2 PRO 17 2HB PRO 17 -14.145 -2.562 -1.226 119 HB3 PRO 17 1HB PRO 17 -12.503 -2.411 -1.860 120 HG2 PRO 17 2HG PRO 17 -14.551 -4.518 -2.367 121 HG3 PRO 17 1HG PRO 17 -13.391 -3.788 -3.491 122 HD2 PRO 17 2HD PRO 17 -13.010 -6.247 -2.433 123 HD3 PRO 17 1HD PRO 17 -11.657 -5.143 -2.777 124 H LYS 18 H LYS 18 -14.295 -5.735 -0.106 125 HA LYS 18 HA LYS 18 -16.306 -5.000 1.628 126 HB2 LYS 18 2HB LYS 18 -14.984 -7.707 1.307 127 HB3 LYS 18 1HB LYS 18 -16.550 -7.466 2.043 128 HG2 LYS 18 2HG LYS 18 -17.376 -6.581 -0.121 129 HG3 LYS 18 1HG LYS 18 -15.810 -6.965 -0.829 130 HD2 LYS 18 2HD LYS 18 -16.135 -9.318 -0.222 131 HD3 LYS 18 1HD LYS 18 -17.706 -8.918 0.473 132 HE2 LYS 18 2HE LYS 18 -16.976 -8.436 -2.409 133 HE3 LYS 18 1HE LYS 18 -17.767 -9.898 -1.835 134 HZ1 LYS 18 3HZ LYS 18 -19.599 -8.537 -1.022 135 HZ2 LYS 18 1HZ LYS 18 -19.381 -8.347 -2.692 136 HZ3 LYS 18 2HZ LYS 18 -18.852 -7.137 -1.624 137 H PHE 19 H PHE 19 -12.998 -5.843 2.324 138 HA PHE 19 HA PHE 19 -13.557 -5.744 5.220 139 HB2 PHE 19 2HB PHE 19 -11.417 -7.407 3.873 140 HB3 PHE 19 1HB PHE 19 -11.812 -7.390 5.586 141 HD1 PHE 19 2HD PHE 19 -13.833 -8.466 6.407 142 HD2 PHE 19 1HD PHE 19 -12.752 -8.637 2.296 143 HE1 PHE 19 2HE PHE 19 -15.430 -10.307 6.062 144 HE2 PHE 19 1HE PHE 19 -14.346 -10.473 1.938 145 HZ PHE 19 HZ PHE 19 -15.692 -11.313 3.829 146 H ILE 20 H ILE 20 -12.152 -4.107 2.753 147 HA ILE 20 HA ILE 20 -9.653 -3.456 4.130 148 HB ILE 20 HB ILE 20 -10.572 -3.317 1.314 149 HG12 ILE 20 2HG1 ILE 20 -8.431 -4.160 0.818 150 HG13 ILE 20 1HG1 ILE 20 -7.728 -3.525 2.296 151 HG21 ILE 20 1HG2 ILE 20 -10.216 -0.945 1.686 152 HG22 ILE 20 2HG2 ILE 20 -8.923 -1.598 0.678 153 HG23 ILE 20 3HG2 ILE 20 -8.633 -1.267 2.387 154 HD11 ILE 20 3HD1 ILE 20 -9.646 -5.844 2.093 155 HD12 ILE 20 1HD1 ILE 20 -8.947 -5.214 3.584 156 HD13 ILE 20 2HD1 ILE 20 -7.906 -5.946 2.364 157 H VAL 21 H VAL 21 -9.472 -1.707 5.351 158 HA VAL 21 HA VAL 21 -11.255 0.571 4.798 159 HB VAL 21 HB VAL 21 -11.118 1.177 7.182 160 HG11 VAL 21 1HG1 VAL 21 -13.010 -0.138 6.388 161 HG12 VAL 21 2HG1 VAL 21 -12.588 -0.562 8.047 162 HG13 VAL 21 3HG1 VAL 21 -12.122 -1.624 6.721 163 HG21 VAL 21 3HG2 VAL 21 -8.983 0.124 7.718 164 HG22 VAL 21 1HG2 VAL 21 -9.718 -1.465 7.525 165 HG23 VAL 21 2HG2 VAL 21 -10.257 -0.397 8.821 166 H GLY 22 H GLY 22 -8.149 -0.499 4.593 167 HA2 GLY 22 2HA GLY 22 -7.207 2.197 4.171 168 HA3 GLY 22 1HA GLY 22 -6.445 1.384 5.533 169 H PHE 23 H PHE 23 -5.065 2.269 3.232 170 HA PHE 23 HA PHE 23 -3.844 -0.262 2.416 171 HB2 PHE 23 2HB PHE 23 -5.174 -0.135 0.573 172 HB3 PHE 23 1HB PHE 23 -5.334 1.613 0.658 173 HD1 PHE 23 1HD PHE 23 -3.228 -1.163 -0.450 174 HD2 PHE 23 2HD PHE 23 -3.807 3.041 -0.377 175 HE1 PHE 23 1HE PHE 23 -1.520 -0.910 -2.200 176 HE2 PHE 23 2HE PHE 23 -2.097 3.305 -2.141 177 HZ PHE 23 HZ PHE 23 -0.972 1.309 -3.022 178 H THR 24 H THR 24 -1.734 -0.102 2.335 179 HA THR 24 HA THR 24 -0.455 2.508 1.973 180 HB THR 24 HB THR 24 0.262 0.592 4.205 181 HG1 THR 24 1HG THR 24 -0.838 3.232 4.321 182 HG21 THR 24 3HG2 THR 24 1.861 2.300 4.894 183 HG22 THR 24 1HG2 THR 24 1.406 3.299 3.519 184 HG23 THR 24 2HG2 THR 24 2.211 1.751 3.252 185 H ARG 25 H ARG 25 0.642 2.104 0.092 186 HA ARG 25 HA ARG 25 1.762 -0.523 -0.385 187 HB2 ARG 25 2HB ARG 25 0.852 0.528 -2.310 188 HB3 ARG 25 1HB ARG 25 1.734 2.021 -2.004 189 HG2 ARG 25 2HG ARG 25 3.846 0.731 -2.405 190 HG3 ARG 25 1HG ARG 25 2.832 -0.615 -2.930 191 HD2 ARG 25 2HD ARG 25 2.635 2.131 -4.136 192 HD3 ARG 25 1HD ARG 25 3.751 0.911 -4.745 193 HE ARG 25 HE ARG 25 1.181 -0.205 -4.617 194 HH11 ARG 25 1HH1 ARG 25 2.929 2.264 -6.403 195 HH12 ARG 25 2HH1 ARG 25 2.001 2.025 -7.856 196 HH21 ARG 25 1HH2 ARG 25 -0.030 -0.496 -6.544 197 HH22 ARG 25 2HH2 ARG 25 0.332 0.475 -7.938 198 H GLN 26 H GLN 26 3.508 -1.056 0.665 199 HA GLN 26 HA GLN 26 5.418 0.897 1.588 200 HB2 GLN 26 2HB GLN 26 4.548 -1.346 2.689 201 HB3 GLN 26 1HB GLN 26 5.845 -2.066 1.747 202 HG2 GLN 26 2HG GLN 26 7.489 -0.959 2.926 203 HG3 GLN 26 1HG GLN 26 6.372 0.267 3.524 204 HE21 GLN 26 1HE2 GLN 26 5.567 -3.117 3.574 205 HE22 GLN 26 2HE2 GLN 26 5.673 -3.322 5.294 206 H LEU 27 H LEU 27 7.109 1.573 0.387 207 HA LEU 27 HA LEU 27 7.487 0.222 -2.192 208 HB2 LEU 27 2HB LEU 27 7.794 3.068 -1.298 209 HB3 LEU 27 1HB LEU 27 8.459 2.504 -2.820 210 HG LEU 27 HG LEU 27 5.537 2.313 -2.089 211 HD11 LEU 27 1HD1 LEU 27 6.262 4.651 -2.232 212 HD12 LEU 27 2HD1 LEU 27 5.213 4.211 -3.581 213 HD13 LEU 27 3HD1 LEU 27 6.956 4.334 -3.822 214 HD21 LEU 27 3HD2 LEU 27 6.312 0.676 -3.735 215 HD22 LEU 27 1HD2 LEU 27 7.003 1.975 -4.704 216 HD23 LEU 27 2HD2 LEU 27 5.256 1.879 -4.477 217 H ALA 28 H ALA 28 9.462 -0.127 -3.092 218 HA ALA 28 HA ALA 28 11.701 -0.555 -1.361 219 HB1 ALA 28 1HB ALA 28 11.260 -2.046 -3.231 220 HB2 ALA 28 2HB ALA 28 12.840 -1.284 -3.418 221 HB3 ALA 28 3HB ALA 28 11.469 -0.709 -4.364 222 H ASN 29 H ASN 29 10.627 2.231 -2.045 223 HA ASN 29 HA ASN 29 13.163 3.442 -2.921 224 HB2 ASN 29 2HB ASN 29 10.363 4.562 -3.237 225 HB3 ASN 29 1HB ASN 29 11.849 5.339 -3.771 226 HD21 ASN 29 1HD2 ASN 29 9.525 2.868 -4.392 227 HD22 ASN 29 2HD2 ASN 29 10.087 2.426 -5.966 228 H GLU 30 H GLU 30 11.171 2.907 -0.357 229 HA GLU 30 HA GLU 30 11.756 5.473 0.949 230 HB2 GLU 30 2HB GLU 30 9.930 3.301 1.955 231 HB3 GLU 30 1HB GLU 30 9.995 4.979 2.474 232 HG2 GLU 30 2HG GLU 30 9.096 4.013 -0.227 233 HG3 GLU 30 1HG GLU 30 8.040 4.499 1.094 234 H GLY 31 H GLY 31 13.071 2.481 0.645 235 HA2 GLY 31 2HA GLY 31 15.158 2.604 2.221 236 HA3 GLY 31 1HA GLY 31 13.934 2.277 3.436 237 H CYS 32 H CYS 32 12.359 0.412 2.251 238 HA CYS 32 HA CYS 32 13.907 -1.952 2.493 239 HB2 CYS 32 2HB CYS 32 11.879 -3.124 2.200 240 HB3 CYS 32 1HB CYS 32 11.438 -1.621 3.007 241 H ASP 33 H ASP 33 13.689 -3.711 0.687 242 HA ASP 33 HA ASP 33 14.557 -2.421 -1.817 243 HB2 ASP 33 2HB ASP 33 16.266 -3.698 -0.442 244 HB3 ASP 33 1HB ASP 33 15.366 -5.162 -0.823 245 H ILE 34 H ILE 34 11.951 -3.791 -0.644 246 HA ILE 34 HA ILE 34 11.200 -4.988 -3.220 247 HB ILE 34 HB ILE 34 9.845 -6.684 -2.117 248 HG12 ILE 34 2HG1 ILE 34 10.929 -5.550 0.473 249 HG13 ILE 34 1HG1 ILE 34 9.259 -5.437 -0.078 250 HG21 ILE 34 1HG2 ILE 34 11.605 -8.076 -1.166 251 HG22 ILE 34 2HG2 ILE 34 12.645 -6.661 -1.003 252 HG23 ILE 34 3HG2 ILE 34 12.177 -7.229 -2.606 253 HD11 ILE 34 3HD1 ILE 34 9.030 -7.848 0.079 254 HD12 ILE 34 1HD1 ILE 34 9.548 -7.168 1.620 255 HD13 ILE 34 2HD1 ILE 34 10.714 -7.990 0.581 256 H ASN 35 H ASN 35 8.488 -5.266 -2.877 257 HA ASN 35 HA ASN 35 7.572 -2.896 -1.450 258 HB2 ASN 35 2HB ASN 35 6.188 -2.089 -3.311 259 HB3 ASN 35 1HB ASN 35 7.899 -2.053 -3.720 260 HD21 ASN 35 1HD2 ASN 35 8.679 -3.417 -5.297 261 HD22 ASN 35 2HD2 ASN 35 7.638 -4.269 -6.384 262 H ALA 36 H ALA 36 5.904 -3.319 -0.263 263 HA ALA 36 HA ALA 36 4.240 -5.649 -0.956 264 HB1 ALA 36 1HB ALA 36 4.906 -4.604 1.795 265 HB2 ALA 36 2HB ALA 36 5.600 -6.041 1.047 266 HB3 ALA 36 3HB ALA 36 3.879 -5.991 1.431 267 H ILE 37 H ILE 37 2.087 -5.400 -1.004 268 HA ILE 37 HA ILE 37 0.978 -2.732 -0.698 269 HB ILE 37 HB ILE 37 -0.319 -5.316 -1.593 270 HG12 ILE 37 2HG1 ILE 37 1.436 -4.563 -3.130 271 HG13 ILE 37 1HG1 ILE 37 -0.156 -4.401 -3.858 272 HG21 ILE 37 1HG2 ILE 37 -2.029 -3.918 -0.785 273 HG22 ILE 37 2HG2 ILE 37 -2.048 -3.738 -2.541 274 HG23 ILE 37 3HG2 ILE 37 -1.315 -2.493 -1.530 275 HD11 ILE 37 3HD1 ILE 37 -0.131 -2.017 -3.393 276 HD12 ILE 37 1HD1 ILE 37 1.255 -2.501 -4.371 277 HD13 ILE 37 2HD1 ILE 37 1.459 -2.175 -2.647 278 H ILE 38 H ILE 38 0.759 -2.300 1.494 279 HA ILE 38 HA ILE 38 -0.331 -4.363 3.216 280 HB ILE 38 HB ILE 38 0.605 -1.557 3.828 281 HG12 ILE 38 2HG1 ILE 38 2.195 -2.868 5.320 282 HG13 ILE 38 1HG1 ILE 38 1.620 -4.317 4.509 283 HG21 ILE 38 1HG2 ILE 38 0.177 -2.036 6.197 284 HG22 ILE 38 2HG2 ILE 38 -0.592 -3.558 5.746 285 HG23 ILE 38 3HG2 ILE 38 -1.315 -2.027 5.254 286 HD11 ILE 38 3HD1 ILE 38 2.999 -1.997 3.194 287 HD12 ILE 38 1HD1 ILE 38 2.439 -3.461 2.386 288 HD13 ILE 38 2HD1 ILE 38 3.727 -3.554 3.588 289 H PHE 39 H PHE 39 -2.422 -4.710 2.694 290 HA PHE 39 HA PHE 39 -4.302 -2.492 2.713 291 HB2 PHE 39 2HB PHE 39 -4.703 -5.479 2.461 292 HB3 PHE 39 1HB PHE 39 -6.031 -4.336 2.560 293 HD1 PHE 39 1HD PHE 39 -5.138 -2.151 0.817 294 HD2 PHE 39 2HD PHE 39 -4.765 -6.367 0.350 295 HE1 PHE 39 1HE PHE 39 -5.082 -1.872 -1.642 296 HE2 PHE 39 2HE PHE 39 -4.695 -6.095 -2.085 297 HZ PHE 39 HZ PHE 39 -4.845 -3.865 -3.076 298 H HIS 40 H HIS 40 -5.288 -1.791 4.468 299 HA HIS 40 HA HIS 40 -4.804 -3.220 6.977 300 HB2 HIS 40 2HB HIS 40 -6.034 -0.478 6.590 301 HB3 HIS 40 1HB HIS 40 -5.447 -1.166 8.100 302 HD1 HIS 40 1HD HIS 40 -3.173 -0.334 8.755 303 HD2 HIS 40 2HD HIS 40 -3.779 -0.224 4.640 304 HE1 HIS 40 1HE HIS 40 -1.096 0.710 7.762 305 HE2 HIS 40 2HE HIS 40 -1.621 1.009 5.335 306 H THR 41 H THR 41 -6.301 -4.633 7.565 307 HA THR 41 HA THR 41 -8.908 -4.604 6.358 308 HB THR 41 HB THR 41 -9.296 -6.655 7.735 309 HG1 THR 41 1HG THR 41 -6.537 -6.529 8.366 310 HG21 THR 41 3HG2 THR 41 -6.778 -6.602 6.072 311 HG22 THR 41 1HG2 THR 41 -8.421 -6.829 5.466 312 HG23 THR 41 2HG2 THR 41 -7.688 -8.049 6.506 313 H LYS 42 H LYS 42 -10.885 -4.568 7.458 314 HA LYS 42 HA LYS 42 -11.152 -2.704 9.522 315 HB2 LYS 42 2HB LYS 42 -13.487 -3.418 9.524 316 HB3 LYS 42 1HB LYS 42 -12.908 -3.176 7.892 317 HG2 LYS 42 2HG LYS 42 -12.581 -5.633 7.710 318 HG3 LYS 42 1HG LYS 42 -13.337 -5.803 9.297 319 HD2 LYS 42 2HD LYS 42 -14.627 -4.532 6.884 320 HD3 LYS 42 1HD LYS 42 -14.922 -6.180 7.441 321 HE2 LYS 42 2HE LYS 42 -15.389 -3.729 9.127 322 HE3 LYS 42 1HE LYS 42 -16.640 -4.481 8.140 323 HZ1 LYS 42 3HZ LYS 42 -15.168 -5.785 10.372 324 HZ2 LYS 42 1HZ LYS 42 -16.359 -6.518 9.415 325 HZ3 LYS 42 2HZ LYS 42 -16.769 -5.224 10.424 326 H LYS 43 H LYS 43 -10.035 -5.841 9.605 327 HA LYS 43 HA LYS 43 -10.969 -6.314 12.318 328 HB2 LYS 43 2HB LYS 43 -11.074 -8.113 10.486 329 HB3 LYS 43 1HB LYS 43 -9.327 -8.226 10.672 330 HG2 LYS 43 2HG LYS 43 -9.551 -8.908 12.955 331 HG3 LYS 43 1HG LYS 43 -11.294 -8.625 12.915 332 HD2 LYS 43 2HD LYS 43 -11.518 -10.400 11.224 333 HD3 LYS 43 1HD LYS 43 -9.778 -10.689 11.312 334 HE2 LYS 43 2HE LYS 43 -11.034 -12.308 12.655 335 HE3 LYS 43 1HE LYS 43 -9.979 -11.307 13.652 336 HZ1 LYS 43 3HZ LYS 43 -12.896 -10.873 13.293 337 HZ2 LYS 43 1HZ LYS 43 -11.870 -9.980 14.305 338 HZ3 LYS 43 2HZ LYS 43 -12.172 -11.611 14.642 339 H LYS 44 H LYS 44 -8.734 -4.527 11.069 340 HA LYS 44 HA LYS 44 -7.010 -3.407 11.989 341 HB2 LYS 44 2HB LYS 44 -7.430 -5.208 14.376 342 HB3 LYS 44 1HB LYS 44 -6.379 -3.798 14.338 343 HG2 LYS 44 2HG LYS 44 -8.394 -2.417 13.798 344 HG3 LYS 44 1HG LYS 44 -9.373 -3.861 14.072 345 HD2 LYS 44 2HD LYS 44 -8.511 -4.009 16.359 346 HD3 LYS 44 1HD LYS 44 -7.540 -2.561 16.086 347 HE2 LYS 44 2HE LYS 44 -10.551 -2.753 16.047 348 HE3 LYS 44 1HE LYS 44 -9.563 -1.989 17.289 349 HZ1 LYS 44 3HZ LYS 44 -8.737 -0.472 15.471 350 HZ2 LYS 44 1HZ LYS 44 -10.365 -0.269 15.915 351 HZ3 LYS 44 2HZ LYS 44 -9.977 -1.094 14.492 352 H LEU 45 H LEU 45 -6.734 -6.102 10.563 353 HA LEU 45 HA LEU 45 -3.968 -6.650 11.398 354 HB2 LEU 45 2HB LEU 45 -5.873 -8.240 9.686 355 HB3 LEU 45 1HB LEU 45 -4.172 -8.625 9.839 356 HG LEU 45 HG LEU 45 -6.185 -8.633 12.092 357 HD11 LEU 45 1HD1 LEU 45 -4.779 -10.895 10.671 358 HD12 LEU 45 2HD1 LEU 45 -6.489 -10.486 10.533 359 HD13 LEU 45 3HD1 LEU 45 -5.841 -11.056 12.070 360 HD21 LEU 45 3HD2 LEU 45 -3.913 -7.964 12.797 361 HD22 LEU 45 1HD2 LEU 45 -3.280 -9.455 12.100 362 HD23 LEU 45 2HD2 LEU 45 -4.398 -9.524 13.461 363 H SER 46 H SER 46 -2.366 -5.807 10.244 364 HA SER 46 HA SER 46 -2.887 -4.554 7.700 365 HB2 SER 46 2HB SER 46 -0.387 -4.075 7.811 366 HB3 SER 46 1HB SER 46 -1.357 -3.394 9.115 367 HG SER 46 HG SER 46 0.341 -5.664 9.184 368 H VAL 47 H VAL 47 -3.069 -5.718 5.970 369 HA VAL 47 HA VAL 47 -1.900 -8.366 5.806 370 HB VAL 47 HB VAL 47 -3.780 -6.857 3.980 371 HG11 VAL 47 1HG1 VAL 47 -2.424 -8.386 2.670 372 HG12 VAL 47 2HG1 VAL 47 -4.078 -8.983 2.798 373 HG13 VAL 47 3HG1 VAL 47 -2.804 -9.699 3.783 374 HG21 VAL 47 3HG2 VAL 47 -5.451 -8.441 4.790 375 HG22 VAL 47 1HG2 VAL 47 -4.746 -7.529 6.125 376 HG23 VAL 47 2HG2 VAL 47 -4.244 -9.194 5.831 377 H CYS 48 H CYS 48 -0.143 -8.902 4.583 378 HA CYS 48 HA CYS 48 1.126 -6.770 3.055 379 HB2 CYS 48 2HB CYS 48 2.187 -9.522 3.756 380 HB3 CYS 48 1HB CYS 48 3.090 -8.232 2.959 381 H ALA 49 H ALA 49 -0.489 -6.809 1.474 382 HA ALA 49 HA ALA 49 -1.161 -9.153 0.020 383 HB1 ALA 49 1HB ALA 49 -2.694 -7.262 0.306 384 HB2 ALA 49 2HB ALA 49 -2.426 -7.629 -1.397 385 HB3 ALA 49 3HB ALA 49 -1.621 -6.245 -0.651 386 H ASN 50 H ASN 50 -0.511 -9.831 -1.959 387 HA ASN 50 HA ASN 50 2.133 -9.015 -2.767 388 HB2 ASN 50 2HB ASN 50 0.231 -10.993 -4.053 389 HB3 ASN 50 1HB ASN 50 1.908 -10.748 -4.520 390 HD21 ASN 50 1HD2 ASN 50 0.692 -10.846 -1.202 391 HD22 ASN 50 2HD2 ASN 50 1.504 -12.317 -0.792 392 HA PRO 51 HA PRO 51 0.570 -6.129 -5.842 393 HB2 PRO 51 2HB PRO 51 3.329 -6.255 -6.871 394 HB3 PRO 51 1HB PRO 51 2.405 -4.862 -6.303 395 HG2 PRO 51 2HG PRO 51 4.446 -5.885 -4.871 396 HG3 PRO 51 1HG PRO 51 3.012 -5.187 -4.094 397 HD2 PRO 51 2HD PRO 51 3.726 -8.059 -4.533 398 HD3 PRO 51 1HD PRO 51 2.984 -7.287 -3.111 399 H LYS 52 H LYS 52 1.555 -9.237 -6.046 400 HA LYS 52 HA LYS 52 1.917 -9.500 -8.910 401 HB2 LYS 52 2HB LYS 52 1.959 -11.497 -6.638 402 HB3 LYS 52 1HB LYS 52 2.375 -11.870 -8.309 403 HG2 LYS 52 2HG LYS 52 4.225 -10.259 -8.197 404 HG3 LYS 52 1HG LYS 52 3.817 -9.932 -6.514 405 HD2 LYS 52 2HD LYS 52 4.630 -12.621 -7.619 406 HD3 LYS 52 1HD LYS 52 5.694 -11.520 -6.744 407 HE2 LYS 52 2HE LYS 52 4.225 -11.679 -4.781 408 HE3 LYS 52 1HE LYS 52 3.186 -12.791 -5.665 409 HZ1 LYS 52 3HZ LYS 52 5.092 -14.312 -5.852 410 HZ2 LYS 52 1HZ LYS 52 4.639 -14.030 -4.248 411 HZ3 LYS 52 2HZ LYS 52 6.012 -13.270 -4.880 412 H GLN 53 H GLN 53 -0.672 -9.679 -6.699 413 HA GLN 53 HA GLN 53 -2.073 -11.697 -8.303 414 HB2 GLN 53 2HB GLN 53 -3.598 -11.684 -6.176 415 HB3 GLN 53 1HB GLN 53 -2.058 -12.538 -6.157 416 HG2 GLN 53 2HG GLN 53 -1.064 -10.420 -5.211 417 HG3 GLN 53 1HG GLN 53 -2.712 -9.871 -4.972 418 HE21 GLN 53 1HE2 GLN 53 -2.360 -9.756 -2.755 419 HE22 GLN 53 2HE2 GLN 53 -2.264 -11.181 -1.777 420 H THR 54 H THR 54 -4.195 -11.372 -8.940 421 HA THR 54 HA THR 54 -4.615 -8.746 -9.905 422 HB THR 54 HB THR 54 -6.869 -9.834 -10.637 423 HG1 THR 54 1HG THR 54 -7.067 -11.883 -10.176 424 HG21 THR 54 3HG2 THR 54 -5.737 -10.849 -12.562 425 HG22 THR 54 1HG2 THR 54 -4.201 -10.758 -11.701 426 HG23 THR 54 2HG2 THR 54 -5.050 -9.277 -12.153 427 H TRP 55 H TRP 55 -6.196 -10.616 -7.322 428 HA TRP 55 HA TRP 55 -8.323 -8.843 -6.925 429 HB2 TRP 55 2HB TRP 55 -8.720 -9.861 -4.853 430 HB3 TRP 55 1HB TRP 55 -8.095 -11.120 -5.892 431 HD1 TRP 55 HD TRP 55 -5.825 -12.190 -5.188 432 HE1 TRP 55 1HE TRP 55 -4.420 -12.116 -3.097 433 HE3 TRP 55 3HE TRP 55 -8.013 -8.273 -3.110 434 HZ2 TRP 55 2HZ TRP 55 -4.270 -10.509 -0.722 435 HZ3 TRP 55 3HZ TRP 55 -7.251 -7.498 -1.003 436 HH2 TRP 55 HH TRP 55 -5.452 -8.554 0.218 437 H VAL 56 H VAL 56 -5.026 -8.743 -5.978 438 HA VAL 56 HA VAL 56 -5.257 -6.448 -4.295 439 HB VAL 56 HB VAL 56 -2.940 -7.911 -5.518 440 HG11 VAL 56 1HG1 VAL 56 -2.408 -5.525 -5.624 441 HG12 VAL 56 2HG1 VAL 56 -1.423 -6.373 -4.432 442 HG13 VAL 56 3HG1 VAL 56 -2.785 -5.380 -3.908 443 HG21 VAL 56 3HG2 VAL 56 -3.866 -7.334 -2.722 444 HG22 VAL 56 1HG2 VAL 56 -2.370 -8.175 -3.123 445 HG23 VAL 56 2HG2 VAL 56 -3.925 -8.883 -3.564 446 H LYS 57 H LYS 57 -4.117 -7.020 -7.623 447 HA LYS 57 HA LYS 57 -3.510 -4.384 -8.278 448 HB2 LYS 57 2HB LYS 57 -4.611 -6.546 -10.084 449 HB3 LYS 57 1HB LYS 57 -3.861 -5.057 -10.633 450 HG2 LYS 57 2HG LYS 57 -1.759 -5.759 -9.507 451 HG3 LYS 57 1HG LYS 57 -2.532 -7.302 -9.123 452 HD2 LYS 57 2HD LYS 57 -2.893 -7.692 -11.530 453 HD3 LYS 57 1HD LYS 57 -2.062 -6.178 -11.886 454 HE2 LYS 57 2HE LYS 57 -0.835 -8.527 -10.446 455 HE3 LYS 57 1HE LYS 57 -0.642 -8.191 -12.164 456 HZ1 LYS 57 3HZ LYS 57 0.195 -5.895 -11.249 457 HZ2 LYS 57 1HZ LYS 57 1.232 -7.240 -11.320 458 HZ3 LYS 57 2HZ LYS 57 0.509 -6.804 -9.852 459 H TYR 58 H TYR 58 -6.575 -6.072 -8.228 460 HA TYR 58 HA TYR 58 -8.130 -4.075 -9.446 461 HB2 TYR 58 2HB TYR 58 -9.204 -6.123 -9.342 462 HB3 TYR 58 1HB TYR 58 -8.683 -6.433 -7.691 463 HD1 TYR 58 1HD TYR 58 -10.694 -3.742 -9.370 464 HD2 TYR 58 2HD TYR 58 -10.409 -6.592 -6.233 465 HE1 TYR 58 1HE TYR 58 -12.877 -3.013 -8.517 466 HE2 TYR 58 2HE TYR 58 -12.590 -5.876 -5.372 467 HH TYR 58 HH TYR 58 -14.634 -3.651 -7.139 468 H ILE 59 H ILE 59 -7.664 -4.857 -5.990 469 HA ILE 59 HA ILE 59 -9.228 -2.706 -5.055 470 HB ILE 59 HB ILE 59 -7.058 -4.220 -3.603 471 HG12 ILE 59 2HG1 ILE 59 -10.059 -4.634 -3.634 472 HG13 ILE 59 1HG1 ILE 59 -8.898 -5.638 -4.495 473 HG21 ILE 59 1HG2 ILE 59 -8.169 -3.467 -1.558 474 HG22 ILE 59 2HG2 ILE 59 -9.320 -2.537 -2.518 475 HG23 ILE 59 3HG2 ILE 59 -7.613 -2.094 -2.517 476 HD11 ILE 59 3HD1 ILE 59 -7.921 -6.341 -2.398 477 HD12 ILE 59 1HD1 ILE 59 -9.652 -6.676 -2.426 478 HD13 ILE 59 2HD1 ILE 59 -9.036 -5.298 -1.511 479 H VAL 60 H VAL 60 -5.713 -3.066 -5.479 480 HA VAL 60 HA VAL 60 -5.089 -0.511 -4.406 481 HB VAL 60 HB VAL 60 -3.432 -2.369 -4.655 482 HG11 VAL 60 1HG1 VAL 60 -2.266 -2.628 -6.791 483 HG12 VAL 60 2HG1 VAL 60 -3.403 -1.511 -7.546 484 HG13 VAL 60 3HG1 VAL 60 -3.969 -3.062 -6.928 485 HG21 VAL 60 3HG2 VAL 60 -1.542 -0.907 -5.220 486 HG22 VAL 60 1HG2 VAL 60 -2.701 -0.115 -4.154 487 HG23 VAL 60 2HG2 VAL 60 -2.671 0.281 -5.872 488 H ARG 61 H ARG 61 -6.183 -1.561 -7.540 489 HA ARG 61 HA ARG 61 -5.550 0.834 -8.940 490 HB2 ARG 61 2HB ARG 61 -6.057 -1.108 -10.232 491 HB3 ARG 61 1HB ARG 61 -7.602 -1.328 -9.420 492 HG2 ARG 61 2HG ARG 61 -8.524 0.583 -10.506 493 HG3 ARG 61 1HG ARG 61 -6.949 1.035 -11.165 494 HD2 ARG 61 2HD ARG 61 -8.484 -0.071 -12.792 495 HD3 ARG 61 1HD ARG 61 -6.922 -0.860 -12.598 496 HE ARG 61 HE ARG 61 -8.141 -2.457 -11.092 497 HH11 ARG 61 1HH1 ARG 61 -9.826 -0.703 -13.608 498 HH12 ARG 61 2HH1 ARG 61 -11.038 -1.925 -13.846 499 HH21 ARG 61 1HH2 ARG 61 -9.685 -4.112 -11.449 500 HH22 ARG 61 2HH2 ARG 61 -10.925 -3.896 -12.653 501 H LEU 62 H LEU 62 -8.207 -0.201 -6.917 502 HA LEU 62 HA LEU 62 -9.858 2.082 -7.405 503 HB2 LEU 62 2HB LEU 62 -9.819 0.081 -5.138 504 HB3 LEU 62 1HB LEU 62 -11.042 1.324 -5.332 505 HG LEU 62 HG LEU 62 -10.509 -0.968 -7.225 506 HD11 LEU 62 1HD1 LEU 62 -11.562 -1.627 -5.107 507 HD12 LEU 62 2HD1 LEU 62 -12.667 -1.795 -6.470 508 HD13 LEU 62 3HD1 LEU 62 -12.830 -0.428 -5.368 509 HD21 LEU 62 3HD2 LEU 62 -12.503 -0.199 -8.403 510 HD22 LEU 62 1HD2 LEU 62 -11.252 1.045 -8.402 511 HD23 LEU 62 2HD2 LEU 62 -12.630 1.180 -7.309 512 H LEU 63 H LEU 63 -7.577 1.130 -4.869 513 HA LEU 63 HA LEU 63 -7.770 3.454 -3.309 514 HB2 LEU 63 2HB LEU 63 -5.808 1.265 -3.595 515 HB3 LEU 63 1HB LEU 63 -5.240 2.739 -2.834 516 HG LEU 63 HG LEU 63 -5.946 1.212 -1.129 517 HD11 LEU 63 1HD1 LEU 63 -7.991 3.397 -1.491 518 HD12 LEU 63 2HD1 LEU 63 -6.411 3.564 -0.727 519 HD13 LEU 63 3HD1 LEU 63 -7.645 2.547 0.016 520 HD21 LEU 63 3HD2 LEU 63 -7.428 -0.209 -2.390 521 HD22 LEU 63 1HD2 LEU 63 -8.585 1.109 -2.581 522 HD23 LEU 63 2HD2 LEU 63 -8.279 0.428 -0.984 523 H SER 64 H SER 64 -5.487 2.606 -5.892 524 HA SER 64 HA SER 64 -4.418 5.300 -5.939 525 HB2 SER 64 2HB SER 64 -2.919 3.325 -6.224 526 HB3 SER 64 1HB SER 64 -3.758 2.938 -7.725 527 HG SER 64 HG SER 64 -2.195 5.238 -7.136 528 H LYS 65 H LYS 65 -6.811 5.794 -6.402 529 HA LYS 65 HA LYS 65 -7.874 5.435 -8.980 530 HB2 LYS 65 2HB LYS 65 -9.421 7.316 -8.308 531 HB3 LYS 65 1HB LYS 65 -9.414 5.918 -7.245 532 HG2 LYS 65 2HG LYS 65 -7.921 7.123 -5.705 533 HG3 LYS 65 1HG LYS 65 -7.998 8.531 -6.761 534 HD2 LYS 65 2HD LYS 65 -9.538 8.740 -4.867 535 HD3 LYS 65 1HD LYS 65 -10.408 8.686 -6.403 536 HE2 LYS 65 2HE LYS 65 -11.467 7.297 -4.651 537 HE3 LYS 65 1HE LYS 65 -10.966 6.363 -6.056 538 HZ1 LYS 65 3HZ LYS 65 -9.307 6.580 -3.605 539 HZ2 LYS 65 1HZ LYS 65 -9.129 5.497 -4.897 540 HZ3 LYS 65 2HZ LYS 65 -10.448 5.343 -3.848 541 H LYS 66 H LYS 66 -6.783 6.060 -10.648 542 HA LYS 66 HA LYS 66 -5.313 8.574 -10.663 543 HB2 LYS 66 2HB LYS 66 -5.529 6.414 -12.771 544 HB3 LYS 66 1HB LYS 66 -4.420 7.780 -12.804 545 HG2 LYS 66 2HG LYS 66 -3.261 6.974 -10.879 546 HG3 LYS 66 1HG LYS 66 -4.449 5.692 -10.647 547 HD2 LYS 66 2HD LYS 66 -3.789 4.763 -12.854 548 HD3 LYS 66 1HD LYS 66 -2.518 5.984 -12.943 549 HE2 LYS 66 2HE LYS 66 -1.645 3.850 -12.134 550 HE3 LYS 66 1HE LYS 66 -1.522 5.107 -10.903 551 HZ1 LYS 66 3HZ LYS 66 -3.691 3.089 -11.038 552 HZ2 LYS 66 1HZ LYS 66 -3.445 4.223 -9.795 553 HZ3 LYS 66 2HZ LYS 66 -2.333 2.968 -10.043 554 H VAL 67 H VAL 67 -8.315 7.334 -11.697 555 HA VAL 67 HA VAL 67 -8.748 9.345 -13.711 556 HB VAL 67 HB VAL 67 -9.878 7.257 -14.056 557 HG11 VAL 67 1HG1 VAL 67 -11.606 6.410 -12.555 558 HG12 VAL 67 2HG1 VAL 67 -11.257 7.709 -11.413 559 HG13 VAL 67 3HG1 VAL 67 -10.036 6.483 -11.755 560 HG21 VAL 67 3HG2 VAL 67 -12.194 8.019 -14.299 561 HG22 VAL 67 1HG2 VAL 67 -11.036 9.238 -14.830 562 HG23 VAL 67 2HG2 VAL 67 -11.839 9.405 -13.268 563 H LYS 68 H LYS 68 -8.762 11.371 -12.989 564 HA LYS 68 HA LYS 68 -9.908 11.974 -10.386 565 HB2 LYS 68 2HB LYS 68 -7.733 12.989 -11.301 566 HB3 LYS 68 1HB LYS 68 -8.769 14.008 -12.294 567 HG2 LYS 68 2HG LYS 68 -9.891 14.790 -10.223 568 HG3 LYS 68 1HG LYS 68 -8.709 13.875 -9.288 569 HD2 LYS 68 2HD LYS 68 -7.914 16.089 -9.339 570 HD3 LYS 68 1HD LYS 68 -6.932 15.206 -10.511 571 HE2 LYS 68 2HE LYS 68 -7.575 17.322 -11.461 572 HE3 LYS 68 1HE LYS 68 -8.422 16.028 -12.312 573 HZ1 LYS 68 3HZ LYS 68 -10.386 16.495 -10.967 574 HZ2 LYS 68 1HZ LYS 68 -9.900 17.873 -11.831 575 HZ3 LYS 68 2HZ LYS 68 -9.570 17.749 -10.174 576 H ASN 69 H ASN 69 -12.020 11.342 -11.053 577 HA ASN 69 HA ASN 69 -13.481 13.614 -12.208 578 HB2 ASN 69 2HB ASN 69 -13.391 11.763 -13.857 579 HB3 ASN 69 1HB ASN 69 -14.113 10.687 -12.665 580 HD21 ASN 69 1HD2 ASN 69 -15.917 10.236 -13.814 581 HD22 ASN 69 2HD2 ASN 69 -17.152 11.394 -14.173 582 H MET 70 H MET 70 -14.646 10.532 -11.009 583 HA MET 70 HA MET 70 -15.505 11.735 -8.497 584 HB2 MET 70 2HB MET 70 -17.423 12.017 -10.006 585 HB3 MET 70 1HB MET 70 -17.377 10.303 -10.397 586 HG2 MET 70 2HG MET 70 -19.134 10.730 -8.817 587 HG3 MET 70 1HG MET 70 -17.870 9.769 -8.052 588 HE1 MET 70 3HE MET 70 -20.088 11.213 -6.323 589 HE2 MET 70 1HE MET 70 -19.089 11.893 -5.036 590 HE3 MET 70 2HE MET 70 -18.752 10.276 -5.652 Start of MODEL 7 1 H1 ALA 1 1HT ALA 1 19.839 5.259 4.905 2 H2 ALA 1 2HT ALA 1 18.731 5.424 3.630 3 H3 ALA 1 3HT ALA 1 19.030 3.897 4.301 4 HA ALA 1 HA ALA 1 18.100 4.601 6.401 5 HB1 ALA 1 1HB ALA 1 16.933 6.729 6.564 6 HB2 ALA 1 2HB ALA 1 17.428 7.139 4.921 7 HB3 ALA 1 3HB ALA 1 18.639 6.976 6.193 8 H SER 2 H SER 2 16.087 3.862 6.772 9 HA SER 2 HA SER 2 14.366 3.498 4.403 10 HB2 SER 2 2HB SER 2 14.533 1.687 6.824 11 HB3 SER 2 1HB SER 2 13.642 1.391 5.329 12 HG SER 2 HG SER 2 16.408 1.855 5.211 13 H ASN 3 H ASN 3 12.563 4.699 4.540 14 HA ASN 3 HA ASN 3 11.657 5.959 6.905 15 HB2 ASN 3 2HB ASN 3 10.236 5.373 4.294 16 HB3 ASN 3 1HB ASN 3 9.524 6.332 5.587 17 HD21 ASN 3 1HD2 ASN 3 10.119 7.149 2.881 18 HD22 ASN 3 2HD2 ASN 3 11.246 8.460 3.003 19 H PHE 4 H PHE 4 10.500 3.147 5.124 20 HA PHE 4 HA PHE 4 9.556 2.023 7.659 21 HB2 PHE 4 2HB PHE 4 7.734 0.877 6.276 22 HB3 PHE 4 1HB PHE 4 7.512 2.587 6.596 23 HD1 PHE 4 1HD PHE 4 9.130 0.424 4.025 24 HD2 PHE 4 2HD PHE 4 6.800 3.885 4.846 25 HE1 PHE 4 1HE PHE 4 8.919 0.845 1.617 26 HE2 PHE 4 2HE PHE 4 6.581 4.308 2.431 27 HZ PHE 4 HZ PHE 4 7.645 2.774 0.821 28 H ASP 5 H ASP 5 9.103 -0.467 7.201 29 HA ASP 5 HA ASP 5 11.051 -1.435 5.234 30 HB2 ASP 5 2HB ASP 5 11.448 -3.413 6.625 31 HB3 ASP 5 1HB ASP 5 11.870 -1.936 7.477 32 H CYS 6 H CYS 6 9.991 -2.122 3.553 33 HA CYS 6 HA CYS 6 7.369 -2.825 3.275 34 HB2 CYS 6 2HB CYS 6 9.795 -3.864 1.806 35 HB3 CYS 6 1HB CYS 6 8.142 -4.083 1.251 36 H CYS 7 H CYS 7 6.159 -4.677 3.537 37 HA CYS 7 HA CYS 7 6.872 -6.520 5.504 38 HB2 CYS 7 2HB CYS 7 4.535 -5.933 4.677 39 HB3 CYS 7 1HB CYS 7 4.828 -7.059 3.358 40 H LEU 8 H LEU 8 8.227 -8.148 5.475 41 HA LEU 8 HA LEU 8 9.768 -8.775 3.221 42 HB2 LEU 8 2HB LEU 8 9.449 -10.284 5.816 43 HB3 LEU 8 1HB LEU 8 10.695 -10.604 4.628 44 HG LEU 8 HG LEU 8 10.369 -8.013 6.140 45 HD11 LEU 8 1HD1 LEU 8 11.071 -9.837 7.589 46 HD12 LEU 8 2HD1 LEU 8 12.385 -8.690 7.334 47 HD13 LEU 8 3HD1 LEU 8 12.382 -10.232 6.477 48 HD21 LEU 8 3HD2 LEU 8 11.345 -7.639 3.958 49 HD22 LEU 8 1HD2 LEU 8 12.508 -8.939 4.223 50 HD23 LEU 8 2HD2 LEU 8 12.584 -7.474 5.200 51 H GLY 9 H GLY 9 6.805 -10.180 4.373 52 HA2 GLY 9 2HA GLY 9 6.795 -11.830 1.970 53 HA3 GLY 9 1HA GLY 9 6.550 -12.654 3.496 54 H TYR 10 H TYR 10 4.833 -12.193 1.129 55 HA TYR 10 HA TYR 10 2.658 -10.728 2.420 56 HB2 TYR 10 2HB TYR 10 1.740 -11.061 -0.102 57 HB3 TYR 10 1HB TYR 10 2.626 -9.654 0.474 58 HD1 TYR 10 1HD TYR 10 3.003 -12.899 -1.220 59 HD2 TYR 10 2HD TYR 10 4.673 -9.085 -0.433 60 HE1 TYR 10 1HE TYR 10 4.762 -13.342 -2.900 61 HE2 TYR 10 2HE TYR 10 6.457 -9.500 -2.092 62 HH TYR 10 HH TYR 10 7.562 -11.432 -3.184 63 H THR 11 H THR 11 0.410 -11.554 1.589 64 HA THR 11 HA THR 11 0.257 -14.176 2.850 65 HB THR 11 HB THR 11 -1.003 -12.249 3.742 66 HG1 THR 11 1HG THR 11 -1.877 -14.691 3.420 67 HG21 THR 11 3HG2 THR 11 -2.588 -12.455 1.186 68 HG22 THR 11 1HG2 THR 11 -1.492 -11.141 1.615 69 HG23 THR 11 2HG2 THR 11 -2.959 -11.409 2.557 70 H ASP 12 H ASP 12 -1.120 -15.864 2.098 71 HA ASP 12 HA ASP 12 -1.460 -15.982 -0.808 72 HB2 ASP 12 2HB ASP 12 -1.601 -18.080 1.365 73 HB3 ASP 12 1HB ASP 12 -2.045 -18.405 -0.306 74 H ARG 13 H ARG 13 -3.238 -14.255 -0.151 75 HA ARG 13 HA ARG 13 -5.760 -15.723 0.194 76 HB2 ARG 13 2HB ARG 13 -4.695 -13.501 1.747 77 HB3 ARG 13 1HB ARG 13 -6.324 -13.198 1.130 78 HG2 ARG 13 2HG ARG 13 -7.175 -15.129 2.226 79 HG3 ARG 13 1HG ARG 13 -5.557 -15.732 2.580 80 HD2 ARG 13 2HD ARG 13 -6.667 -13.172 3.715 81 HD3 ARG 13 1HD ARG 13 -6.790 -14.732 4.526 82 HE ARG 13 HE ARG 13 -4.121 -13.851 3.753 83 HH11 ARG 13 1HH1 ARG 13 -6.500 -14.225 6.307 84 HH12 ARG 13 2HH1 ARG 13 -5.327 -14.072 7.578 85 HH21 ARG 13 1HH2 ARG 13 -2.599 -13.638 5.438 86 HH22 ARG 13 2HH2 ARG 13 -3.134 -13.738 7.094 87 H ILE 14 H ILE 14 -7.666 -14.431 -0.396 88 HA ILE 14 HA ILE 14 -7.198 -12.479 -2.548 89 HB ILE 14 HB ILE 14 -9.596 -14.297 -2.203 90 HG12 ILE 14 2HG1 ILE 14 -7.446 -15.398 -2.996 91 HG13 ILE 14 1HG1 ILE 14 -8.850 -15.574 -4.044 92 HG21 ILE 14 1HG2 ILE 14 -10.200 -12.167 -3.192 93 HG22 ILE 14 2HG2 ILE 14 -10.291 -13.452 -4.397 94 HG23 ILE 14 3HG2 ILE 14 -8.922 -12.344 -4.395 95 HD11 ILE 14 3HD1 ILE 14 -6.597 -13.624 -4.415 96 HD12 ILE 14 1HD1 ILE 14 -8.013 -13.774 -5.455 97 HD13 ILE 14 2HD1 ILE 14 -6.861 -15.108 -5.333 98 H LEU 15 H LEU 15 -7.081 -10.884 -0.802 99 HA LEU 15 HA LEU 15 -9.414 -10.484 0.853 100 HB2 LEU 15 2HB LEU 15 -6.957 -8.767 0.452 101 HB3 LEU 15 1HB LEU 15 -8.265 -8.356 1.539 102 HG LEU 15 HG LEU 15 -6.611 -9.241 2.916 103 HD11 LEU 15 1HD1 LEU 15 -8.431 -11.563 2.320 104 HD12 LEU 15 2HD1 LEU 15 -8.822 -10.190 3.355 105 HD13 LEU 15 3HD1 LEU 15 -7.524 -11.292 3.808 106 HD21 LEU 15 3HD2 LEU 15 -5.434 -11.347 2.478 107 HD22 LEU 15 1HD2 LEU 15 -5.151 -10.143 1.222 108 HD23 LEU 15 2HD2 LEU 15 -6.265 -11.475 0.927 109 H HIS 16 H HIS 16 -10.570 -8.379 0.814 110 HA HIS 16 HA HIS 16 -10.781 -7.324 -1.914 111 HB2 HIS 16 2HB HIS 16 -13.078 -8.275 -0.208 112 HB3 HIS 16 1HB HIS 16 -13.243 -7.401 -1.726 113 HD1 HIS 16 1HD HIS 16 -14.397 -10.197 -1.238 114 HD2 HIS 16 2HD HIS 16 -10.741 -9.468 -3.063 115 HE1 HIS 16 1HE HIS 16 -13.998 -12.144 -2.694 116 HE2 HIS 16 2HE HIS 16 -11.957 -11.562 -4.039 117 HA PRO 17 HA PRO 17 -11.771 -3.378 0.066 118 HB2 PRO 17 2HB PRO 17 -14.162 -2.775 -1.219 119 HB3 PRO 17 1HB PRO 17 -12.559 -2.361 -1.832 120 HG2 PRO 17 2HG PRO 17 -14.348 -4.625 -2.574 121 HG3 PRO 17 1HG PRO 17 -13.268 -3.660 -3.598 122 HD2 PRO 17 2HD PRO 17 -12.625 -6.159 -2.792 123 HD3 PRO 17 1HD PRO 17 -11.401 -4.883 -2.998 124 H LYS 18 H LYS 18 -13.924 -6.028 -0.321 125 HA LYS 18 HA LYS 18 -16.028 -5.689 1.380 126 HB2 LYS 18 2HB LYS 18 -14.288 -8.111 0.905 127 HB3 LYS 18 1HB LYS 18 -15.791 -8.199 1.790 128 HG2 LYS 18 2HG LYS 18 -16.947 -7.353 -0.257 129 HG3 LYS 18 1HG LYS 18 -15.411 -7.519 -1.109 130 HD2 LYS 18 2HD LYS 18 -15.348 -9.885 -0.553 131 HD3 LYS 18 1HD LYS 18 -16.851 -9.727 0.352 132 HE2 LYS 18 2HE LYS 18 -16.518 -9.236 -2.597 133 HE3 LYS 18 1HE LYS 18 -17.182 -10.695 -1.872 134 HZ1 LYS 18 3HZ LYS 18 -18.345 -7.968 -1.860 135 HZ2 LYS 18 1HZ LYS 18 -18.881 -9.188 -0.806 136 HZ3 LYS 18 2HZ LYS 18 -19.025 -9.398 -2.480 137 H PHE 19 H PHE 19 -12.656 -6.226 2.248 138 HA PHE 19 HA PHE 19 -13.450 -6.299 5.086 139 HB2 PHE 19 2HB PHE 19 -10.995 -7.681 4.018 140 HB3 PHE 19 1HB PHE 19 -11.798 -7.921 5.564 141 HD1 PHE 19 1HD PHE 19 -14.162 -8.969 5.501 142 HD2 PHE 19 2HD PHE 19 -11.444 -9.079 2.231 143 HE1 PHE 19 1HE PHE 19 -15.396 -10.870 4.534 144 HE2 PHE 19 2HE PHE 19 -12.673 -10.971 1.257 145 HZ PHE 19 HZ PHE 19 -14.654 -11.867 2.410 146 H ILE 20 H ILE 20 -12.114 -4.379 2.886 147 HA ILE 20 HA ILE 20 -9.715 -3.635 4.389 148 HB ILE 20 HB ILE 20 -10.597 -3.291 1.571 149 HG12 ILE 20 2HG1 ILE 20 -8.466 -4.036 1.026 150 HG13 ILE 20 1HG1 ILE 20 -7.748 -3.431 2.509 151 HG21 ILE 20 1HG2 ILE 20 -8.753 -1.294 2.877 152 HG22 ILE 20 2HG2 ILE 20 -10.359 -0.961 2.227 153 HG23 ILE 20 3HG2 ILE 20 -9.052 -1.445 1.146 154 HD11 ILE 20 3HD1 ILE 20 -9.523 -5.849 2.233 155 HD12 ILE 20 1HD1 ILE 20 -8.841 -5.248 3.744 156 HD13 ILE 20 2HD1 ILE 20 -7.776 -5.848 2.474 157 H VAL 21 H VAL 21 -9.658 -1.879 5.662 158 HA VAL 21 HA VAL 21 -11.701 0.206 5.240 159 HB VAL 21 HB VAL 21 -11.520 0.763 7.643 160 HG11 VAL 21 1HG1 VAL 21 -12.335 -2.076 7.046 161 HG12 VAL 21 2HG1 VAL 21 -13.344 -0.636 6.914 162 HG13 VAL 21 3HG1 VAL 21 -12.778 -1.174 8.495 163 HG21 VAL 21 3HG2 VAL 21 -9.839 -1.732 7.785 164 HG22 VAL 21 1HG2 VAL 21 -10.466 -0.846 9.175 165 HG23 VAL 21 2HG2 VAL 21 -9.303 -0.081 8.091 166 H GLY 22 H GLY 22 -8.460 -0.549 5.076 167 HA2 GLY 22 2HA GLY 22 -7.757 2.222 4.631 168 HA3 GLY 22 1HA GLY 22 -6.953 1.497 6.019 169 H PHE 23 H PHE 23 -5.590 2.463 3.729 170 HA PHE 23 HA PHE 23 -4.279 0.004 2.854 171 HB2 PHE 23 2HB PHE 23 -5.613 0.098 1.043 172 HB3 PHE 23 1HB PHE 23 -5.891 1.826 1.184 173 HD1 PHE 23 2HD PHE 23 -3.581 -0.760 0.028 174 HD2 PHE 23 1HD PHE 23 -4.539 3.374 0.101 175 HE1 PHE 23 2HE PHE 23 -1.912 -0.356 -1.736 176 HE2 PHE 23 1HE PHE 23 -2.883 3.792 -1.680 177 HZ PHE 23 HZ PHE 23 -1.582 1.912 -2.564 178 H THR 24 H THR 24 -2.236 0.169 2.880 179 HA THR 24 HA THR 24 -0.920 2.764 2.484 180 HB THR 24 HB THR 24 0.013 0.590 4.377 181 HG1 THR 24 1HG THR 24 -1.090 3.162 4.980 182 HG21 THR 24 3HG2 THR 24 1.043 3.393 3.931 183 HG22 THR 24 1HG2 THR 24 1.829 1.912 3.383 184 HG23 THR 24 2HG2 THR 24 1.661 2.236 5.109 185 H ARG 25 H ARG 25 0.946 2.599 1.117 186 HA ARG 25 HA ARG 25 1.542 -0.139 0.249 187 HB2 ARG 25 2HB ARG 25 1.829 0.581 -2.050 188 HB3 ARG 25 1HB ARG 25 0.207 0.944 -1.485 189 HG2 ARG 25 2HG ARG 25 0.828 3.287 -1.197 190 HG3 ARG 25 1HG ARG 25 2.465 2.915 -1.749 191 HD2 ARG 25 2HD ARG 25 -0.097 2.747 -3.324 192 HD3 ARG 25 1HD ARG 25 1.277 3.812 -3.606 193 HE ARG 25 HE ARG 25 2.109 1.127 -3.744 194 HH11 ARG 25 1HH1 ARG 25 0.203 3.453 -5.524 195 HH12 ARG 25 2HH1 ARG 25 0.562 2.755 -7.068 196 HH21 ARG 25 1HH2 ARG 25 2.564 0.161 -5.756 197 HH22 ARG 25 2HH2 ARG 25 1.921 0.875 -7.205 198 H GLN 26 H GLN 26 3.559 -0.714 0.578 199 HA GLN 26 HA GLN 26 5.573 1.387 0.888 200 HB2 GLN 26 2HB GLN 26 7.016 -0.433 1.813 201 HB3 GLN 26 1HB GLN 26 5.577 -0.087 2.741 202 HG2 GLN 26 2HG GLN 26 5.369 -2.227 0.770 203 HG3 GLN 26 1HG GLN 26 6.389 -2.530 2.161 204 HE21 GLN 26 1HE2 GLN 26 5.474 -2.616 4.204 205 HE22 GLN 26 2HE2 GLN 26 3.771 -2.779 4.442 206 H LEU 27 H LEU 27 7.017 1.782 -0.615 207 HA LEU 27 HA LEU 27 7.089 -0.005 -2.943 208 HB2 LEU 27 2HB LEU 27 7.918 2.892 -2.714 209 HB3 LEU 27 1HB LEU 27 7.895 1.943 -4.187 210 HG LEU 27 HG LEU 27 5.471 2.721 -2.561 211 HD11 LEU 27 1HD1 LEU 27 4.923 4.115 -4.507 212 HD12 LEU 27 2HD1 LEU 27 6.478 3.694 -5.229 213 HD13 LEU 27 3HD1 LEU 27 6.422 4.618 -3.728 214 HD21 LEU 27 3HD2 LEU 27 4.186 1.785 -4.401 215 HD22 LEU 27 1HD2 LEU 27 5.202 0.552 -3.654 216 HD23 LEU 27 2HD2 LEU 27 5.673 1.268 -5.196 217 H ALA 28 H ALA 28 9.153 -0.263 -4.049 218 HA ALA 28 HA ALA 28 11.285 -0.828 -2.200 219 HB1 ALA 28 1HB ALA 28 10.756 -2.309 -4.091 220 HB2 ALA 28 2HB ALA 28 12.426 -1.746 -4.142 221 HB3 ALA 28 3HB ALA 28 11.220 -1.029 -5.209 222 H ASN 29 H ASN 29 10.593 1.923 -2.388 223 HA ASN 29 HA ASN 29 12.939 3.096 -3.731 224 HB2 ASN 29 2HB ASN 29 10.146 4.166 -3.363 225 HB3 ASN 29 1HB ASN 29 11.502 5.221 -3.738 226 HD21 ASN 29 1HD2 ASN 29 11.269 1.979 -5.033 227 HD22 ASN 29 2HD2 ASN 29 10.943 2.456 -6.667 228 H GLU 30 H GLU 30 11.075 2.874 -0.802 229 HA GLU 30 HA GLU 30 12.522 5.153 0.345 230 HB2 GLU 30 2HB GLU 30 9.958 3.824 1.234 231 HB3 GLU 30 1HB GLU 30 10.715 5.189 2.046 232 HG2 GLU 30 2HG GLU 30 10.478 6.484 -0.064 233 HG3 GLU 30 1HG GLU 30 9.557 5.139 -0.732 234 H GLY 31 H GLY 31 13.654 2.428 0.118 235 HA2 GLY 31 2HA GLY 31 15.392 2.175 1.982 236 HA3 GLY 31 1HA GLY 31 13.988 1.856 2.991 237 H CYS 32 H CYS 32 12.479 0.156 1.846 238 HA CYS 32 HA CYS 32 13.925 -2.283 1.806 239 HB2 CYS 32 2HB CYS 32 11.463 -2.975 0.890 240 HB3 CYS 32 1HB CYS 32 11.854 -2.744 2.594 241 H ASP 33 H ASP 33 14.560 -3.562 0.125 242 HA ASP 33 HA ASP 33 14.579 -2.427 -2.538 243 HB2 ASP 33 2HB ASP 33 15.343 -5.230 -2.433 244 HB3 ASP 33 1HB ASP 33 16.308 -3.833 -2.892 245 H ILE 34 H ILE 34 12.627 -4.525 -0.715 246 HA ILE 34 HA ILE 34 11.245 -5.545 -3.082 247 HB ILE 34 HB ILE 34 10.128 -7.089 -1.672 248 HG12 ILE 34 2HG1 ILE 34 11.156 -5.548 0.727 249 HG13 ILE 34 1HG1 ILE 34 9.507 -5.466 0.112 250 HG21 ILE 34 1HG2 ILE 34 11.923 -8.219 -0.474 251 HG22 ILE 34 2HG2 ILE 34 12.904 -6.755 -0.543 252 HG23 ILE 34 3HG2 ILE 34 12.493 -7.615 -2.029 253 HD11 ILE 34 3HD1 ILE 34 9.701 -6.941 2.053 254 HD12 ILE 34 1HD1 ILE 34 10.849 -7.943 1.165 255 HD13 ILE 34 2HD1 ILE 34 9.180 -7.813 0.609 256 H ASN 35 H ASN 35 8.732 -5.528 -2.743 257 HA ASN 35 HA ASN 35 7.851 -3.157 -1.322 258 HB2 ASN 35 2HB ASN 35 6.539 -2.332 -3.241 259 HB3 ASN 35 1HB ASN 35 8.266 -2.293 -3.565 260 HD21 ASN 35 1HD2 ASN 35 9.129 -3.670 -5.097 261 HD22 ASN 35 2HD2 ASN 35 8.145 -4.542 -6.223 262 H ALA 36 H ALA 36 5.736 -3.219 -0.664 263 HA ALA 36 HA ALA 36 4.122 -5.567 -1.409 264 HB1 ALA 36 1HB ALA 36 3.615 -6.073 0.935 265 HB2 ALA 36 2HB ALA 36 4.755 -4.832 1.459 266 HB3 ALA 36 3HB ALA 36 5.337 -6.258 0.597 267 H ILE 37 H ILE 37 1.901 -5.328 -0.200 268 HA ILE 37 HA ILE 37 1.130 -2.478 -0.096 269 HB ILE 37 HB ILE 37 -0.584 -4.800 -1.009 270 HG12 ILE 37 2HG1 ILE 37 1.154 -4.204 -2.660 271 HG13 ILE 37 1HG1 ILE 37 -0.463 -3.832 -3.241 272 HG21 ILE 37 1HG2 ILE 37 -1.167 -1.844 -0.914 273 HG22 ILE 37 2HG2 ILE 37 -1.891 -3.092 0.100 274 HG23 ILE 37 3HG2 ILE 37 -2.214 -3.069 -1.634 275 HD11 ILE 37 3HD1 ILE 37 -0.115 -1.477 -2.720 276 HD12 ILE 37 1HD1 ILE 37 1.121 -2.082 -3.821 277 HD13 ILE 37 2HD1 ILE 37 1.501 -1.843 -2.115 278 H ILE 38 H ILE 38 0.130 -1.861 1.788 279 HA ILE 38 HA ILE 38 -0.542 -3.993 3.700 280 HB ILE 38 HB ILE 38 -0.238 -1.027 4.231 281 HG12 ILE 38 2HG1 ILE 38 1.566 -3.326 5.012 282 HG13 ILE 38 1HG1 ILE 38 1.901 -2.179 3.718 283 HG21 ILE 38 1HG2 ILE 38 -0.401 -1.649 6.593 284 HG22 ILE 38 2HG2 ILE 38 -0.641 -3.335 6.138 285 HG23 ILE 38 3HG2 ILE 38 -1.853 -2.127 5.714 286 HD11 ILE 38 3HD1 ILE 38 1.637 -1.536 6.641 287 HD12 ILE 38 1HD1 ILE 38 1.941 -0.365 5.358 288 HD13 ILE 38 2HD1 ILE 38 3.137 -1.614 5.715 289 H PHE 39 H PHE 39 -2.566 -4.619 3.091 290 HA PHE 39 HA PHE 39 -4.642 -2.566 2.951 291 HB2 PHE 39 2HB PHE 39 -4.669 -5.542 2.482 292 HB3 PHE 39 1HB PHE 39 -6.158 -4.619 2.638 293 HD1 PHE 39 1HD PHE 39 -5.255 -2.105 1.152 294 HD2 PHE 39 2HD PHE 39 -4.845 -6.259 0.271 295 HE1 PHE 39 1HE PHE 39 -5.182 -1.587 -1.268 296 HE2 PHE 39 2HE PHE 39 -4.754 -5.739 -2.129 297 HZ PHE 39 HZ PHE 39 -4.928 -3.419 -2.890 298 H HIS 40 H HIS 40 -5.505 -1.867 4.754 299 HA HIS 40 HA HIS 40 -5.112 -3.362 7.220 300 HB2 HIS 40 2HB HIS 40 -6.416 -0.650 6.857 301 HB3 HIS 40 1HB HIS 40 -5.845 -1.350 8.364 302 HD1 HIS 40 1HD HIS 40 -3.631 -0.479 9.099 303 HD2 HIS 40 2HD HIS 40 -4.118 -0.224 4.978 304 HE1 HIS 40 1HE HIS 40 -1.580 0.699 8.221 305 HE2 HIS 40 2HE HIS 40 -2.046 1.091 5.796 306 H THR 41 H THR 41 -6.588 -4.817 7.789 307 HA THR 41 HA THR 41 -9.207 -4.823 6.595 308 HB THR 41 HB THR 41 -9.564 -6.885 7.938 309 HG1 THR 41 1HG THR 41 -6.813 -6.694 8.621 310 HG21 THR 41 3HG2 THR 41 -7.031 -6.818 6.297 311 HG22 THR 41 1HG2 THR 41 -8.668 -7.017 5.674 312 HG23 THR 41 2HG2 THR 41 -7.958 -8.264 6.699 313 H LYS 42 H LYS 42 -11.164 -5.054 7.823 314 HA LYS 42 HA LYS 42 -11.455 -3.086 9.850 315 HB2 LYS 42 2HB LYS 42 -13.209 -3.944 8.171 316 HB3 LYS 42 1HB LYS 42 -13.439 -5.287 9.282 317 HG2 LYS 42 2HG LYS 42 -14.036 -3.718 11.059 318 HG3 LYS 42 1HG LYS 42 -13.812 -2.373 9.942 319 HD2 LYS 42 2HD LYS 42 -15.572 -3.375 8.489 320 HD3 LYS 42 1HD LYS 42 -15.859 -4.575 9.750 321 HE2 LYS 42 2HE LYS 42 -16.114 -1.588 10.084 322 HE3 LYS 42 1HE LYS 42 -17.456 -2.710 9.859 323 HZ1 LYS 42 3HZ LYS 42 -17.106 -2.109 12.192 324 HZ2 LYS 42 1HZ LYS 42 -15.543 -2.764 12.140 325 HZ3 LYS 42 2HZ LYS 42 -16.896 -3.772 11.937 326 H LYS 43 H LYS 43 -10.123 -6.084 9.955 327 HA LYS 43 HA LYS 43 -10.957 -6.679 12.664 328 HB2 LYS 43 2HB LYS 43 -9.157 -8.174 10.758 329 HB3 LYS 43 1HB LYS 43 -9.494 -8.695 12.404 330 HG2 LYS 43 2HG LYS 43 -11.928 -8.736 11.781 331 HG3 LYS 43 1HG LYS 43 -11.420 -8.482 10.109 332 HD2 LYS 43 2HD LYS 43 -10.081 -10.533 10.213 333 HD3 LYS 43 1HD LYS 43 -10.593 -10.780 11.885 334 HE2 LYS 43 2HE LYS 43 -12.940 -10.870 11.094 335 HE3 LYS 43 1HE LYS 43 -12.353 -10.752 9.436 336 HZ1 LYS 43 3HZ LYS 43 -11.777 -12.944 11.360 337 HZ2 LYS 43 1HZ LYS 43 -11.121 -12.826 9.798 338 HZ3 LYS 43 2HZ LYS 43 -12.790 -13.032 10.006 339 H LYS 44 H LYS 44 -8.998 -4.528 11.435 340 HA LYS 44 HA LYS 44 -7.351 -3.218 12.289 341 HB2 LYS 44 2HB LYS 44 -7.245 -5.089 14.660 342 HB3 LYS 44 1HB LYS 44 -6.571 -3.469 14.568 343 HG2 LYS 44 2HG LYS 44 -8.775 -2.506 14.455 344 HG3 LYS 44 1HG LYS 44 -9.507 -4.108 14.377 345 HD2 LYS 44 2HD LYS 44 -7.983 -2.921 16.693 346 HD3 LYS 44 1HD LYS 44 -9.713 -3.256 16.626 347 HE2 LYS 44 2HE LYS 44 -7.467 -5.271 16.577 348 HE3 LYS 44 1HE LYS 44 -8.594 -4.981 17.900 349 HZ1 LYS 44 3HZ LYS 44 -10.396 -5.768 16.474 350 HZ2 LYS 44 1HZ LYS 44 -9.192 -6.950 16.644 351 HZ3 LYS 44 2HZ LYS 44 -9.297 -6.046 15.215 352 H LEU 45 H LEU 45 -7.023 -6.077 11.025 353 HA LEU 45 HA LEU 45 -4.209 -6.510 11.678 354 HB2 LEU 45 2HB LEU 45 -6.083 -8.135 9.952 355 HB3 LEU 45 1HB LEU 45 -4.437 -8.573 10.354 356 HG LEU 45 HG LEU 45 -6.705 -8.328 12.324 357 HD11 LEU 45 1HD1 LEU 45 -6.545 -10.767 12.481 358 HD12 LEU 45 2HD1 LEU 45 -5.334 -10.766 11.200 359 HD13 LEU 45 3HD1 LEU 45 -6.983 -10.243 10.855 360 HD21 LEU 45 3HD2 LEU 45 -4.539 -7.761 13.297 361 HD22 LEU 45 1HD2 LEU 45 -3.873 -9.285 12.707 362 HD23 LEU 45 2HD2 LEU 45 -5.149 -9.292 13.925 363 H SER 46 H SER 46 -2.714 -5.570 10.475 364 HA SER 46 HA SER 46 -3.322 -4.484 7.885 365 HB2 SER 46 2HB SER 46 -0.685 -4.126 8.054 366 HB3 SER 46 1HB SER 46 -1.816 -3.108 8.945 367 HG SER 46 HG SER 46 0.102 -4.308 10.046 368 H VAL 47 H VAL 47 -3.564 -5.864 6.260 369 HA VAL 47 HA VAL 47 -2.146 -8.389 6.247 370 HB VAL 47 HB VAL 47 -4.196 -7.251 4.340 371 HG11 VAL 47 1HG1 VAL 47 -4.357 -9.519 3.431 372 HG12 VAL 47 2HG1 VAL 47 -3.017 -10.027 4.459 373 HG13 VAL 47 3HG1 VAL 47 -2.751 -8.833 3.186 374 HG21 VAL 47 3HG2 VAL 47 -4.424 -9.356 6.487 375 HG22 VAL 47 1HG2 VAL 47 -5.704 -8.879 5.373 376 HG23 VAL 47 2HG2 VAL 47 -5.086 -7.722 6.553 377 H CYS 48 H CYS 48 -0.375 -8.837 5.065 378 HA CYS 48 HA CYS 48 0.744 -6.748 3.424 379 HB2 CYS 48 2HB CYS 48 1.815 -9.535 3.934 380 HB3 CYS 48 1HB CYS 48 2.684 -8.199 3.194 381 H ALA 49 H ALA 49 -0.561 -6.524 1.747 382 HA ALA 49 HA ALA 49 -1.565 -8.653 0.153 383 HB1 ALA 49 1HB ALA 49 -2.667 -6.456 0.367 384 HB2 ALA 49 2HB ALA 49 -2.322 -6.859 -1.315 385 HB3 ALA 49 3HB ALA 49 -1.301 -5.705 -0.456 386 H ASN 50 H ASN 50 -0.829 -9.347 -1.872 387 HA ASN 50 HA ASN 50 2.054 -9.216 -2.086 388 HB2 ASN 50 2HB ASN 50 0.414 -10.618 -4.157 389 HB3 ASN 50 1HB ASN 50 1.963 -11.073 -3.463 390 HD21 ASN 50 1HD2 ASN 50 0.542 -10.616 -0.711 391 HD22 ASN 50 2HD2 ASN 50 -0.273 -12.134 -0.496 392 HA PRO 51 HA PRO 51 1.839 -6.551 -5.697 393 HB2 PRO 51 2HB PRO 51 4.518 -7.016 -6.396 394 HB3 PRO 51 1HB PRO 51 3.896 -5.667 -5.447 395 HG2 PRO 51 2HG PRO 51 5.569 -7.721 -4.525 396 HG3 PRO 51 1HG PRO 51 4.682 -6.563 -3.524 397 HD2 PRO 51 2HD PRO 51 4.031 -9.387 -4.182 398 HD3 PRO 51 1HD PRO 51 3.656 -8.438 -2.724 399 H LYS 52 H LYS 52 0.978 -9.295 -6.072 400 HA LYS 52 HA LYS 52 2.073 -9.834 -8.756 401 HB2 LYS 52 2HB LYS 52 1.443 -11.936 -6.676 402 HB3 LYS 52 1HB LYS 52 1.959 -12.247 -8.327 403 HG2 LYS 52 2HG LYS 52 4.117 -11.277 -7.877 404 HG3 LYS 52 1HG LYS 52 3.601 -10.818 -6.252 405 HD2 LYS 52 2HD LYS 52 3.276 -13.184 -5.695 406 HD3 LYS 52 1HD LYS 52 3.814 -13.637 -7.313 407 HE2 LYS 52 2HE LYS 52 5.491 -12.068 -5.367 408 HE3 LYS 52 1HE LYS 52 5.552 -13.822 -5.516 409 HZ1 LYS 52 3HZ LYS 52 6.442 -13.686 -7.641 410 HZ2 LYS 52 1HZ LYS 52 7.256 -12.465 -6.793 411 HZ3 LYS 52 2HZ LYS 52 5.993 -12.063 -7.855 412 H GLN 53 H GLN 53 -0.237 -11.651 -6.861 413 HA GLN 53 HA GLN 53 -2.195 -12.196 -8.598 414 HB2 GLN 53 2HB GLN 53 -3.670 -11.711 -6.339 415 HB3 GLN 53 1HB GLN 53 -2.782 -13.189 -6.688 416 HG2 GLN 53 2HG GLN 53 -2.276 -12.418 -4.454 417 HG3 GLN 53 1HG GLN 53 -0.848 -12.315 -5.459 418 HE21 GLN 53 1HE2 GLN 53 -3.048 -10.641 -3.518 419 HE22 GLN 53 2HE2 GLN 53 -2.360 -9.067 -3.695 420 H THR 54 H THR 54 -4.036 -11.370 -9.429 421 HA THR 54 HA THR 54 -3.921 -8.572 -9.969 422 HB THR 54 HB THR 54 -6.175 -9.274 -11.191 423 HG1 THR 54 1HG THR 54 -5.756 -11.566 -11.837 424 HG21 THR 54 3HG2 THR 54 -4.136 -8.502 -12.280 425 HG22 THR 54 1HG2 THR 54 -4.794 -9.902 -13.127 426 HG23 THR 54 2HG2 THR 54 -3.399 -10.091 -12.063 427 H TRP 55 H TRP 55 -5.697 -10.409 -7.642 428 HA TRP 55 HA TRP 55 -7.893 -8.671 -7.394 429 HB2 TRP 55 2HB TRP 55 -8.330 -9.659 -5.272 430 HB3 TRP 55 1HB TRP 55 -7.864 -10.911 -6.404 431 HD1 TRP 55 HD TRP 55 -5.569 -12.131 -5.916 432 HE1 TRP 55 1HE TRP 55 -4.140 -12.326 -3.854 433 HE3 TRP 55 3HE TRP 55 -7.499 -8.309 -3.413 434 HZ2 TRP 55 2HZ TRP 55 -3.816 -10.942 -1.416 435 HZ3 TRP 55 3HZ TRP 55 -6.605 -7.758 -1.309 436 HH2 TRP 55 HH TRP 55 -4.821 -9.005 -0.258 437 H VAL 56 H VAL 56 -4.650 -8.588 -6.210 438 HA VAL 56 HA VAL 56 -5.026 -6.316 -4.546 439 HB VAL 56 HB VAL 56 -2.782 -7.962 -5.418 440 HG11 VAL 56 1HG1 VAL 56 -2.083 -5.871 -6.501 441 HG12 VAL 56 2HG1 VAL 56 -1.036 -6.309 -5.153 442 HG13 VAL 56 3HG1 VAL 56 -2.240 -5.035 -4.957 443 HG21 VAL 56 3HG2 VAL 56 -3.309 -6.232 -3.018 444 HG22 VAL 56 1HG2 VAL 56 -1.992 -7.394 -3.173 445 HG23 VAL 56 2HG2 VAL 56 -3.665 -7.953 -3.179 446 H LYS 57 H LYS 57 -3.857 -6.794 -7.859 447 HA LYS 57 HA LYS 57 -3.254 -4.161 -8.501 448 HB2 LYS 57 2HB LYS 57 -4.366 -6.324 -10.306 449 HB3 LYS 57 1HB LYS 57 -3.647 -4.823 -10.868 450 HG2 LYS 57 2HG LYS 57 -1.524 -5.454 -9.795 451 HG3 LYS 57 1HG LYS 57 -2.252 -6.983 -9.306 452 HD2 LYS 57 2HD LYS 57 -2.651 -7.522 -11.686 453 HD3 LYS 57 1HD LYS 57 -1.843 -6.020 -12.133 454 HE2 LYS 57 2HE LYS 57 -0.561 -8.242 -10.548 455 HE3 LYS 57 1HE LYS 57 -0.388 -8.036 -12.290 456 HZ1 LYS 57 3HZ LYS 57 0.774 -6.035 -12.003 457 HZ2 LYS 57 1HZ LYS 57 1.450 -7.099 -10.870 458 HZ3 LYS 57 2HZ LYS 57 0.353 -5.904 -10.370 459 H TYR 58 H TYR 58 -6.348 -5.826 -8.464 460 HA TYR 58 HA TYR 58 -7.864 -3.725 -9.593 461 HB2 TYR 58 2HB TYR 58 -8.895 -5.828 -9.604 462 HB3 TYR 58 1HB TYR 58 -8.524 -6.126 -7.910 463 HD1 TYR 58 1HD TYR 58 -10.435 -3.638 -9.959 464 HD2 TYR 58 2HD TYR 58 -10.264 -6.017 -6.442 465 HE1 TYR 58 1HE TYR 58 -12.663 -2.829 -9.317 466 HE2 TYR 58 2HE TYR 58 -12.489 -5.226 -5.789 467 HH TYR 58 HH TYR 58 -14.544 -3.530 -7.914 468 H ILE 59 H ILE 59 -7.414 -4.719 -6.167 469 HA ILE 59 HA ILE 59 -9.000 -2.632 -5.143 470 HB ILE 59 HB ILE 59 -6.830 -4.129 -3.670 471 HG12 ILE 59 2HG1 ILE 59 -9.796 -4.692 -3.682 472 HG13 ILE 59 1HG1 ILE 59 -8.661 -5.535 -4.724 473 HG21 ILE 59 1HG2 ILE 59 -9.191 -2.515 -2.704 474 HG22 ILE 59 2HG2 ILE 59 -7.484 -2.120 -2.501 475 HG23 ILE 59 3HG2 ILE 59 -8.169 -3.517 -1.673 476 HD11 ILE 59 3HD1 ILE 59 -9.157 -6.834 -2.748 477 HD12 ILE 59 1HD1 ILE 59 -8.616 -5.502 -1.725 478 HD13 ILE 59 2HD1 ILE 59 -7.464 -6.342 -2.763 479 H VAL 60 H VAL 60 -5.461 -2.924 -5.537 480 HA VAL 60 HA VAL 60 -4.966 -0.470 -4.154 481 HB VAL 60 HB VAL 60 -3.271 -2.264 -4.237 482 HG11 VAL 60 1HG1 VAL 60 -1.870 -2.548 -6.227 483 HG12 VAL 60 2HG1 VAL 60 -2.914 -1.446 -7.124 484 HG13 VAL 60 3HG1 VAL 60 -3.547 -2.989 -6.551 485 HG21 VAL 60 3HG2 VAL 60 -1.325 -0.790 -4.645 486 HG22 VAL 60 1HG2 VAL 60 -2.579 -0.036 -3.659 487 HG23 VAL 60 2HG2 VAL 60 -2.416 0.399 -5.359 488 H ARG 61 H ARG 61 -5.531 -1.313 -7.523 489 HA ARG 61 HA ARG 61 -4.741 1.208 -8.585 490 HB2 ARG 61 2HB ARG 61 -5.018 -0.774 -10.005 491 HB3 ARG 61 1HB ARG 61 -6.734 -0.818 -9.644 492 HG2 ARG 61 2HG ARG 61 -5.560 1.614 -10.923 493 HG3 ARG 61 1HG ARG 61 -5.873 0.174 -11.893 494 HD2 ARG 61 2HD ARG 61 -7.866 1.756 -10.276 495 HD3 ARG 61 1HD ARG 61 -7.767 1.650 -12.033 496 HE ARG 61 HE ARG 61 -8.087 -0.941 -11.022 497 HH11 ARG 61 1HH1 ARG 61 -9.900 2.042 -11.314 498 HH12 ARG 61 2HH1 ARG 61 -11.443 1.251 -11.286 499 HH21 ARG 61 1HH2 ARG 61 -10.108 -1.983 -11.014 500 HH22 ARG 61 2HH2 ARG 61 -11.568 -1.038 -11.150 501 H LEU 62 H LEU 62 -7.664 -0.051 -7.154 502 HA LEU 62 HA LEU 62 -9.335 2.171 -7.783 503 HB2 LEU 62 2HB LEU 62 -10.161 -0.106 -7.243 504 HB3 LEU 62 1HB LEU 62 -9.605 0.106 -5.594 505 HG LEU 62 HG LEU 62 -11.190 2.028 -5.374 506 HD11 LEU 62 1HD1 LEU 62 -12.955 2.280 -7.029 507 HD12 LEU 62 2HD1 LEU 62 -12.204 1.039 -8.034 508 HD13 LEU 62 3HD1 LEU 62 -11.373 2.570 -7.751 509 HD21 LEU 62 3HD2 LEU 62 -11.778 -0.198 -4.553 510 HD22 LEU 62 1HD2 LEU 62 -12.435 -0.610 -6.139 511 HD23 LEU 62 2HD2 LEU 62 -13.193 0.654 -5.173 512 H LEU 63 H LEU 63 -7.271 1.276 -5.090 513 HA LEU 63 HA LEU 63 -8.142 3.467 -3.450 514 HB2 LEU 63 2HB LEU 63 -5.978 1.419 -3.101 515 HB3 LEU 63 1HB LEU 63 -6.378 2.638 -1.899 516 HG LEU 63 HG LEU 63 -8.297 0.545 -2.935 517 HD11 LEU 63 1HD1 LEU 63 -8.072 -0.447 -0.703 518 HD12 LEU 63 2HD1 LEU 63 -6.774 0.695 -0.349 519 HD13 LEU 63 3HD1 LEU 63 -6.575 -0.500 -1.630 520 HD21 LEU 63 3HD2 LEU 63 -9.709 1.274 -1.077 521 HD22 LEU 63 1HD2 LEU 63 -9.426 2.575 -2.232 522 HD23 LEU 63 2HD2 LEU 63 -8.553 2.549 -0.697 523 H SER 64 H SER 64 -5.314 2.711 -5.415 524 HA SER 64 HA SER 64 -4.170 5.344 -4.837 525 HB2 SER 64 2HB SER 64 -2.731 3.251 -4.850 526 HB3 SER 64 1HB SER 64 -3.032 3.141 -6.582 527 HG SER 64 HG SER 64 -2.225 5.504 -6.430 528 H LYS 65 H LYS 65 -6.441 5.741 -6.003 529 HA LYS 65 HA LYS 65 -6.813 5.391 -8.711 530 HB2 LYS 65 2HB LYS 65 -8.471 7.263 -8.491 531 HB3 LYS 65 1HB LYS 65 -8.663 5.956 -7.332 532 HG2 LYS 65 2HG LYS 65 -7.437 7.341 -5.663 533 HG3 LYS 65 1HG LYS 65 -7.441 8.662 -6.831 534 HD2 LYS 65 2HD LYS 65 -9.909 8.588 -6.863 535 HD3 LYS 65 1HD LYS 65 -9.863 7.323 -5.630 536 HE2 LYS 65 2HE LYS 65 -8.658 8.874 -4.135 537 HE3 LYS 65 1HE LYS 65 -8.807 10.139 -5.355 538 HZ1 LYS 65 3HZ LYS 65 -11.271 9.821 -5.174 539 HZ2 LYS 65 1HZ LYS 65 -10.528 10.454 -3.787 540 HZ3 LYS 65 2HZ LYS 65 -10.992 8.828 -3.828 541 H LYS 66 H LYS 66 -5.268 5.927 -10.094 542 HA LYS 66 HA LYS 66 -4.084 8.576 -10.138 543 HB2 LYS 66 2HB LYS 66 -3.845 6.210 -11.998 544 HB3 LYS 66 1HB LYS 66 -3.021 7.739 -12.270 545 HG2 LYS 66 2HG LYS 66 -1.847 7.463 -10.130 546 HG3 LYS 66 1HG LYS 66 -2.636 5.895 -9.921 547 HD2 LYS 66 2HD LYS 66 -1.585 5.048 -11.918 548 HD3 LYS 66 1HD LYS 66 -0.897 6.634 -12.273 549 HE2 LYS 66 2HE LYS 66 0.414 6.504 -10.191 550 HE3 LYS 66 1HE LYS 66 -0.250 4.899 -9.888 551 HZ1 LYS 66 3HZ LYS 66 1.350 5.616 -12.288 552 HZ2 LYS 66 1HZ LYS 66 0.842 4.064 -11.835 553 HZ3 LYS 66 2HZ LYS 66 1.994 4.891 -10.902 554 H VAL 67 H VAL 67 -7.008 7.404 -11.032 555 HA VAL 67 HA VAL 67 -7.162 8.788 -13.599 556 HB VAL 67 HB VAL 67 -7.980 6.444 -13.399 557 HG11 VAL 67 1HG1 VAL 67 -8.886 6.487 -11.170 558 HG12 VAL 67 2HG1 VAL 67 -10.157 6.051 -12.313 559 HG13 VAL 67 3HG1 VAL 67 -10.092 7.683 -11.647 560 HG21 VAL 67 3HG2 VAL 67 -10.066 6.777 -14.636 561 HG22 VAL 67 1HG2 VAL 67 -8.802 7.876 -15.188 562 HG23 VAL 67 2HG2 VAL 67 -10.088 8.468 -14.138 563 H LYS 68 H LYS 68 -7.796 9.455 -10.377 564 HA LYS 68 HA LYS 68 -9.711 11.534 -11.149 565 HB2 LYS 68 2HB LYS 68 -11.126 9.860 -10.242 566 HB3 LYS 68 1HB LYS 68 -10.037 9.565 -8.896 567 HG2 LYS 68 2HG LYS 68 -12.099 10.784 -8.283 568 HG3 LYS 68 1HG LYS 68 -10.617 11.642 -7.874 569 HD2 LYS 68 2HD LYS 68 -12.255 13.179 -8.783 570 HD3 LYS 68 1HD LYS 68 -10.887 13.035 -9.883 571 HE2 LYS 68 2HE LYS 68 -12.151 11.583 -11.334 572 HE3 LYS 68 1HE LYS 68 -13.495 11.549 -10.193 573 HZ1 LYS 68 3HZ LYS 68 -12.520 14.066 -11.431 574 HZ2 LYS 68 1HZ LYS 68 -13.980 13.801 -10.612 575 HZ3 LYS 68 2HZ LYS 68 -13.729 13.110 -12.141 576 H ASN 69 H ASN 69 -8.551 13.285 -10.904 577 HA ASN 69 HA ASN 69 -7.741 13.911 -8.151 578 HB2 ASN 69 2HB ASN 69 -5.696 13.655 -9.514 579 HB3 ASN 69 1HB ASN 69 -6.316 14.838 -10.661 580 HD21 ASN 69 1HD2 ASN 69 -4.689 16.306 -10.400 581 HD22 ASN 69 2HD2 ASN 69 -4.454 17.203 -8.934 582 H MET 70 H MET 70 -8.491 15.261 -11.337 583 HA MET 70 HA MET 70 -9.621 17.660 -10.208 584 HB2 MET 70 2HB MET 70 -8.411 17.839 -12.305 585 HB3 MET 70 1HB MET 70 -9.453 16.635 -13.049 586 HG2 MET 70 2HG MET 70 -9.996 18.903 -13.771 587 HG3 MET 70 1HG MET 70 -11.341 18.133 -12.934 588 HE1 MET 70 3HE MET 70 -8.608 21.254 -10.898 589 HE2 MET 70 1HE MET 70 -8.428 20.819 -12.600 590 HE3 MET 70 2HE MET 70 -8.104 19.625 -11.342 Start of MODEL 8 1 H1 ALA 1 1HT ALA 1 18.495 6.166 5.264 2 H2 ALA 1 2HT ALA 1 18.958 6.899 6.724 3 H3 ALA 1 3HT ALA 1 17.680 7.549 5.818 4 HA ALA 1 HA ALA 1 17.698 4.887 7.118 5 HB1 ALA 1 1HB ALA 1 17.590 6.713 8.739 6 HB2 ALA 1 2HB ALA 1 16.063 5.836 8.663 7 HB3 ALA 1 3HB ALA 1 16.218 7.407 7.875 8 H SER 2 H SER 2 16.235 3.523 6.341 9 HA SER 2 HA SER 2 14.497 4.036 4.209 10 HB2 SER 2 2HB SER 2 14.182 1.935 6.377 11 HB3 SER 2 1HB SER 2 13.477 1.892 4.759 12 HG SER 2 HG SER 2 15.396 0.631 4.950 13 H ASN 3 H ASN 3 12.474 4.894 4.106 14 HA ASN 3 HA ASN 3 11.320 6.315 6.229 15 HB2 ASN 3 2HB ASN 3 10.793 6.759 3.858 16 HB3 ASN 3 1HB ASN 3 9.970 5.204 3.748 17 HD21 ASN 3 1HD2 ASN 3 8.040 6.202 3.148 18 HD22 ASN 3 2HD2 ASN 3 7.065 7.054 4.310 19 H PHE 4 H PHE 4 10.349 3.247 4.794 20 HA PHE 4 HA PHE 4 9.508 2.336 7.456 21 HB2 PHE 4 2HB PHE 4 7.705 1.008 6.274 22 HB3 PHE 4 1HB PHE 4 7.454 2.743 6.328 23 HD1 PHE 4 2HD PHE 4 9.219 0.351 4.072 24 HD2 PHE 4 1HD PHE 4 6.544 3.630 4.451 25 HE1 PHE 4 2HE PHE 4 8.937 0.385 1.642 26 HE2 PHE 4 1HE PHE 4 6.256 3.677 2.006 27 HZ PHE 4 HZ PHE 4 7.457 2.048 0.604 28 H ASP 5 H ASP 5 9.258 -0.189 7.340 29 HA ASP 5 HA ASP 5 11.174 -1.236 5.390 30 HB2 ASP 5 2HB ASP 5 11.763 -3.035 6.970 31 HB3 ASP 5 1HB ASP 5 12.170 -1.443 7.591 32 H CYS 6 H CYS 6 10.178 -2.208 3.891 33 HA CYS 6 HA CYS 6 7.870 -3.302 3.418 34 HB2 CYS 6 2HB CYS 6 9.050 -5.022 2.074 35 HB3 CYS 6 1HB CYS 6 9.719 -3.408 1.878 36 H CYS 7 H CYS 7 6.650 -5.039 3.843 37 HA CYS 7 HA CYS 7 6.881 -6.457 6.242 38 HB2 CYS 7 2HB CYS 7 4.765 -6.061 5.024 39 HB3 CYS 7 1HB CYS 7 5.295 -7.190 3.782 40 H LEU 8 H LEU 8 8.001 -8.196 6.774 41 HA LEU 8 HA LEU 8 9.938 -9.274 5.061 42 HB2 LEU 8 2HB LEU 8 10.565 -10.710 6.843 43 HB3 LEU 8 1HB LEU 8 10.105 -9.177 7.550 44 HG LEU 8 HG LEU 8 8.161 -11.463 7.436 45 HD11 LEU 8 1HD1 LEU 8 10.180 -10.947 9.612 46 HD12 LEU 8 2HD1 LEU 8 10.211 -12.298 8.480 47 HD13 LEU 8 3HD1 LEU 8 8.894 -12.153 9.643 48 HD21 LEU 8 3HD2 LEU 8 7.378 -10.322 9.555 49 HD22 LEU 8 1HD2 LEU 8 7.117 -9.438 8.053 50 HD23 LEU 8 2HD2 LEU 8 8.448 -8.989 9.120 51 H GLY 9 H GLY 9 6.648 -10.218 5.630 52 HA2 GLY 9 2HA GLY 9 7.017 -12.412 3.729 53 HA3 GLY 9 1HA GLY 9 6.325 -12.797 5.298 54 H TYR 10 H TYR 10 5.522 -12.288 2.209 55 HA TYR 10 HA TYR 10 3.214 -10.586 2.542 56 HB2 TYR 10 2HB TYR 10 3.884 -12.402 0.212 57 HB3 TYR 10 1HB TYR 10 2.672 -11.143 0.235 58 HD1 TYR 10 2HD TYR 10 6.332 -11.463 0.883 59 HD2 TYR 10 1HD TYR 10 3.180 -9.208 -0.888 60 HE1 TYR 10 2HE TYR 10 7.984 -9.897 -0.035 61 HE2 TYR 10 1HE TYR 10 4.830 -7.636 -1.820 62 HH TYR 10 HH TYR 10 8.140 -8.285 -1.929 63 H THR 11 H THR 11 1.145 -11.584 1.452 64 HA THR 11 HA THR 11 0.523 -14.106 2.825 65 HB THR 11 HB THR 11 -0.822 -12.059 3.383 66 HG1 THR 11 1HG THR 11 -2.051 -13.766 3.842 67 HG21 THR 11 3HG2 THR 11 -0.813 -11.040 1.161 68 HG22 THR 11 1HG2 THR 11 -2.456 -11.240 1.773 69 HG23 THR 11 2HG2 THR 11 -1.826 -12.351 0.557 70 H ASP 12 H ASP 12 -1.640 -14.957 1.360 71 HA ASP 12 HA ASP 12 -1.328 -14.552 -1.464 72 HB2 ASP 12 2HB ASP 12 0.325 -16.471 -0.764 73 HB3 ASP 12 1HB ASP 12 -1.142 -17.437 -0.635 74 H ARG 13 H ARG 13 -3.410 -13.759 -1.173 75 HA ARG 13 HA ARG 13 -5.470 -15.711 -0.392 76 HB2 ARG 13 2HB ARG 13 -5.126 -12.872 0.577 77 HB3 ARG 13 1HB ARG 13 -6.628 -13.766 0.739 78 HG2 ARG 13 2HG ARG 13 -4.020 -14.744 1.878 79 HG3 ARG 13 1HG ARG 13 -5.165 -13.745 2.776 80 HD2 ARG 13 2HD ARG 13 -5.720 -16.451 1.570 81 HD3 ARG 13 1HD ARG 13 -5.494 -16.101 3.284 82 HE ARG 13 HE ARG 13 -7.569 -14.481 2.344 83 HH11 ARG 13 1HH1 ARG 13 -6.932 -17.886 2.856 84 HH12 ARG 13 2HH1 ARG 13 -8.595 -18.278 3.170 85 HH21 ARG 13 1HH2 ARG 13 -9.767 -15.013 2.690 86 HH22 ARG 13 2HH2 ARG 13 -10.204 -16.650 3.064 87 H ILE 14 H ILE 14 -7.679 -14.636 -0.699 88 HA ILE 14 HA ILE 14 -7.697 -12.582 -2.788 89 HB ILE 14 HB ILE 14 -9.658 -14.843 -2.359 90 HG12 ILE 14 2HG1 ILE 14 -7.583 -15.082 -3.856 91 HG13 ILE 14 1HG1 ILE 14 -9.140 -15.560 -4.524 92 HG21 ILE 14 1HG2 ILE 14 -11.094 -13.832 -4.060 93 HG22 ILE 14 2HG2 ILE 14 -10.040 -12.418 -4.105 94 HG23 ILE 14 3HG2 ILE 14 -10.942 -12.800 -2.639 95 HD11 ILE 14 3HD1 ILE 14 -7.698 -12.976 -5.035 96 HD12 ILE 14 1HD1 ILE 14 -9.291 -13.399 -5.664 97 HD13 ILE 14 2HD1 ILE 14 -7.870 -14.329 -6.153 98 H LEU 15 H LEU 15 -7.572 -11.011 -1.046 99 HA LEU 15 HA LEU 15 -9.892 -10.909 0.725 100 HB2 LEU 15 2HB LEU 15 -7.512 -9.058 0.516 101 HB3 LEU 15 1HB LEU 15 -8.870 -8.787 1.587 102 HG LEU 15 HG LEU 15 -7.353 -9.703 3.031 103 HD11 LEU 15 1HD1 LEU 15 -9.383 -11.036 3.116 104 HD12 LEU 15 2HD1 LEU 15 -7.965 -12.005 3.518 105 HD13 LEU 15 3HD1 LEU 15 -8.710 -12.151 1.926 106 HD21 LEU 15 3HD2 LEU 15 -5.797 -11.520 2.484 107 HD22 LEU 15 1HD2 LEU 15 -5.588 -10.109 1.446 108 HD23 LEU 15 2HD2 LEU 15 -6.425 -11.536 0.833 109 H HIS 16 H HIS 16 -10.870 -8.573 0.869 110 HA HIS 16 HA HIS 16 -11.277 -7.613 -1.869 111 HB2 HIS 16 2HB HIS 16 -13.435 -8.372 0.092 112 HB3 HIS 16 1HB HIS 16 -13.715 -7.492 -1.402 113 HD1 HIS 16 1HD HIS 16 -15.059 -10.137 -0.851 114 HD2 HIS 16 2HD HIS 16 -11.452 -9.794 -2.877 115 HE1 HIS 16 1HE HIS 16 -14.962 -12.092 -2.337 116 HE2 HIS 16 2HE HIS 16 -12.909 -11.780 -3.754 117 HA PRO 17 HA PRO 17 -11.865 -3.476 -0.104 118 HB2 PRO 17 2HB PRO 17 -14.530 -3.498 -1.409 119 HB3 PRO 17 1HB PRO 17 -13.224 -2.317 -1.551 120 HG2 PRO 17 2HG PRO 17 -13.805 -4.053 -3.528 121 HG3 PRO 17 1HG PRO 17 -12.153 -3.501 -3.209 122 HD2 PRO 17 2HD PRO 17 -13.419 -6.134 -2.619 123 HD3 PRO 17 1HD PRO 17 -11.725 -5.734 -2.991 124 H LYS 18 H LYS 18 -14.264 -5.979 -0.150 125 HA LYS 18 HA LYS 18 -16.063 -5.474 1.811 126 HB2 LYS 18 2HB LYS 18 -14.526 -8.009 1.245 127 HB3 LYS 18 1HB LYS 18 -15.900 -7.977 2.319 128 HG2 LYS 18 2HG LYS 18 -17.260 -7.144 0.379 129 HG3 LYS 18 1HG LYS 18 -15.856 -7.479 -0.637 130 HD2 LYS 18 2HD LYS 18 -15.888 -9.821 0.253 131 HD3 LYS 18 1HD LYS 18 -17.416 -9.438 1.043 132 HE2 LYS 18 2HE LYS 18 -16.972 -9.123 -1.911 133 HE3 LYS 18 1HE LYS 18 -17.563 -10.614 -1.183 134 HZ1 LYS 18 3HZ LYS 18 -19.504 -9.554 -0.448 135 HZ2 LYS 18 1HZ LYS 18 -19.295 -9.054 -2.051 136 HZ3 LYS 18 2HZ LYS 18 -18.905 -8.003 -0.778 137 H PHE 19 H PHE 19 -12.643 -6.257 2.272 138 HA PHE 19 HA PHE 19 -13.106 -6.304 5.188 139 HB2 PHE 19 2HB PHE 19 -10.869 -7.762 3.786 140 HB3 PHE 19 1HB PHE 19 -11.456 -7.993 5.432 141 HD1 PHE 19 2HD PHE 19 -14.167 -8.512 5.390 142 HD2 PHE 19 1HD PHE 19 -11.331 -9.489 2.376 143 HE1 PHE 19 2HE PHE 19 -15.651 -10.302 4.575 144 HE2 PHE 19 1HE PHE 19 -12.806 -11.276 1.549 145 HZ PHE 19 HZ PHE 19 -14.970 -11.685 2.658 146 H ILE 20 H ILE 20 -11.909 -4.354 2.907 147 HA ILE 20 HA ILE 20 -9.452 -3.686 4.384 148 HB ILE 20 HB ILE 20 -10.228 -3.255 1.506 149 HG12 ILE 20 2HG1 ILE 20 -7.598 -4.310 2.446 150 HG13 ILE 20 1HG1 ILE 20 -9.012 -5.352 2.598 151 HG21 ILE 20 1HG2 ILE 20 -9.291 -1.148 2.269 152 HG22 ILE 20 2HG2 ILE 20 -8.151 -1.978 1.208 153 HG23 ILE 20 3HG2 ILE 20 -7.904 -1.997 2.953 154 HD11 ILE 20 3HD1 ILE 20 -7.941 -4.119 0.079 155 HD12 ILE 20 1HD1 ILE 20 -9.409 -5.091 0.192 156 HD13 ILE 20 2HD1 ILE 20 -7.844 -5.815 0.560 157 H VAL 21 H VAL 21 -9.479 -1.944 5.615 158 HA VAL 21 HA VAL 21 -11.351 0.235 4.944 159 HB VAL 21 HB VAL 21 -11.395 0.822 7.351 160 HG11 VAL 21 1HG1 VAL 21 -13.169 -0.558 6.379 161 HG12 VAL 21 2HG1 VAL 21 -12.870 -0.976 8.066 162 HG13 VAL 21 3HG1 VAL 21 -12.250 -2.010 6.778 163 HG21 VAL 21 3HG2 VAL 21 -9.881 -1.761 7.695 164 HG22 VAL 21 1HG2 VAL 21 -10.602 -0.824 9.003 165 HG23 VAL 21 2HG2 VAL 21 -9.282 -0.141 8.051 166 H GLY 22 H GLY 22 -8.223 -0.616 4.900 167 HA2 GLY 22 2HA GLY 22 -7.327 2.131 4.777 168 HA3 GLY 22 1HA GLY 22 -6.602 1.179 6.069 169 H PHE 23 H PHE 23 -5.157 2.302 3.887 170 HA PHE 23 HA PHE 23 -3.926 -0.111 2.803 171 HB2 PHE 23 2HB PHE 23 -5.439 0.057 1.114 172 HB3 PHE 23 1HB PHE 23 -5.605 1.798 1.262 173 HD1 PHE 23 1HD PHE 23 -3.705 -0.935 -0.175 174 HD2 PHE 23 2HD PHE 23 -4.081 3.270 0.206 175 HE1 PHE 23 1HE PHE 23 -2.198 -0.634 -2.092 176 HE2 PHE 23 2HE PHE 23 -2.566 3.580 -1.728 177 HZ PHE 23 HZ PHE 23 -1.650 1.604 -2.847 178 H THR 24 H THR 24 -1.854 0.141 2.627 179 HA THR 24 HA THR 24 -0.693 2.816 2.311 180 HB THR 24 HB THR 24 0.397 0.772 4.256 181 HG1 THR 24 1HG THR 24 -0.984 3.213 4.802 182 HG21 THR 24 3HG2 THR 24 1.838 2.598 4.998 183 HG22 THR 24 1HG2 THR 24 1.119 3.671 3.797 184 HG23 THR 24 2HG2 THR 24 2.075 2.282 3.279 185 H ARG 25 H ARG 25 0.305 2.624 0.347 186 HA ARG 25 HA ARG 25 1.208 0.023 -0.490 187 HB2 ARG 25 2HB ARG 25 1.585 0.882 -2.657 188 HB3 ARG 25 1HB ARG 25 0.105 1.622 -2.085 189 HG2 ARG 25 2HG ARG 25 2.727 3.068 -1.897 190 HG3 ARG 25 1HG ARG 25 1.790 3.038 -3.388 191 HD2 ARG 25 2HD ARG 25 0.607 3.937 -0.784 192 HD3 ARG 25 1HD ARG 25 1.462 5.035 -1.856 193 HE ARG 25 HE ARG 25 -0.516 3.617 -3.294 194 HH11 ARG 25 1HH1 ARG 25 -0.180 6.129 -0.906 195 HH12 ARG 25 2HH1 ARG 25 -1.573 7.022 -1.443 196 HH21 ARG 25 1HH2 ARG 25 -2.386 4.744 -3.996 197 HH22 ARG 25 2HH2 ARG 25 -2.832 6.224 -3.194 198 H GLN 26 H GLN 26 2.924 -0.736 0.377 199 HA GLN 26 HA GLN 26 5.195 0.916 1.075 200 HB2 GLN 26 2HB GLN 26 4.415 -0.868 2.578 201 HB3 GLN 26 1HB GLN 26 4.637 -2.059 1.318 202 HG2 GLN 26 2HG GLN 26 6.884 -0.483 2.532 203 HG3 GLN 26 1HG GLN 26 6.338 -2.039 3.144 204 HE21 GLN 26 1HE2 GLN 26 6.453 -3.847 1.698 205 HE22 GLN 26 2HE2 GLN 26 7.721 -3.905 0.516 206 H LEU 27 H LEU 27 6.874 1.255 -0.273 207 HA LEU 27 HA LEU 27 6.891 -0.286 -2.778 208 HB2 LEU 27 2HB LEU 27 6.874 2.596 -2.254 209 HB3 LEU 27 1HB LEU 27 8.079 2.091 -3.421 210 HG LEU 27 HG LEU 27 6.033 2.765 -4.540 211 HD11 LEU 27 1HD1 LEU 27 6.531 -0.207 -4.651 212 HD12 LEU 27 2HD1 LEU 27 7.343 1.039 -5.602 213 HD13 LEU 27 3HD1 LEU 27 5.626 0.718 -5.849 214 HD21 LEU 27 3HD2 LEU 27 4.717 0.553 -2.977 215 HD22 LEU 27 1HD2 LEU 27 3.965 1.493 -4.265 216 HD23 LEU 27 2HD2 LEU 27 4.448 2.282 -2.762 217 H ALA 28 H ALA 28 8.882 -0.451 -3.890 218 HA ALA 28 HA ALA 28 11.006 -1.149 -2.063 219 HB1 ALA 28 1HB ALA 28 10.288 -2.681 -3.846 220 HB2 ALA 28 2HB ALA 28 11.992 -2.251 -3.996 221 HB3 ALA 28 3HB ALA 28 10.797 -1.500 -5.052 222 H ASN 29 H ASN 29 10.397 1.749 -2.804 223 HA ASN 29 HA ASN 29 13.128 2.425 -3.650 224 HB2 ASN 29 2HB ASN 29 12.204 4.434 -4.797 225 HB3 ASN 29 1HB ASN 29 11.696 2.915 -5.523 226 HD21 ASN 29 1HD2 ASN 29 9.567 2.318 -5.473 227 HD22 ASN 29 2HD2 ASN 29 8.306 3.412 -4.993 228 H GLU 30 H GLU 30 10.968 2.573 -1.163 229 HA GLU 30 HA GLU 30 11.983 5.172 -0.237 230 HB2 GLU 30 2HB GLU 30 9.664 3.543 0.821 231 HB3 GLU 30 1HB GLU 30 10.193 5.094 1.459 232 HG2 GLU 30 2HG GLU 30 9.857 5.825 -1.059 233 HG3 GLU 30 1HG GLU 30 8.734 4.466 -1.040 234 H GLY 31 H GLY 31 13.427 2.573 -0.241 235 HA2 GLY 31 2HA GLY 31 15.234 2.593 1.561 236 HA3 GLY 31 1HA GLY 31 13.890 2.295 2.656 237 H CYS 32 H CYS 32 12.464 0.395 1.871 238 HA CYS 32 HA CYS 32 14.132 -1.902 1.883 239 HB2 CYS 32 2HB CYS 32 11.382 -1.300 2.384 240 HB3 CYS 32 1HB CYS 32 11.473 -2.658 1.268 241 H ASP 33 H ASP 33 14.155 -3.618 0.338 242 HA ASP 33 HA ASP 33 14.161 -2.572 -2.372 243 HB2 ASP 33 2HB ASP 33 15.294 -5.088 -1.160 244 HB3 ASP 33 1HB ASP 33 15.304 -4.773 -2.893 245 H ILE 34 H ILE 34 12.127 -4.482 -0.443 246 HA ILE 34 HA ILE 34 10.843 -5.570 -2.856 247 HB ILE 34 HB ILE 34 10.042 -7.412 -1.679 248 HG12 ILE 34 2HG1 ILE 34 10.648 -5.999 0.933 249 HG13 ILE 34 1HG1 ILE 34 9.050 -6.151 0.215 250 HG21 ILE 34 1HG2 ILE 34 11.934 -8.349 -0.427 251 HG22 ILE 34 2HG2 ILE 34 12.665 -6.745 -0.354 252 HG23 ILE 34 3HG2 ILE 34 12.454 -7.550 -1.911 253 HD11 ILE 34 3HD1 ILE 34 9.138 -8.560 0.471 254 HD12 ILE 34 1HD1 ILE 34 9.407 -7.758 2.018 255 HD13 ILE 34 2HD1 ILE 34 10.769 -8.445 1.133 256 H ASN 35 H ASN 35 8.648 -5.134 -3.202 257 HA ASN 35 HA ASN 35 7.562 -3.083 -1.389 258 HB2 ASN 35 2HB ASN 35 6.351 -2.117 -3.241 259 HB3 ASN 35 1HB ASN 35 8.046 -2.260 -3.687 260 HD21 ASN 35 1HD2 ASN 35 8.637 -3.658 -5.318 261 HD22 ASN 35 2HD2 ASN 35 7.485 -4.401 -6.373 262 H ALA 36 H ALA 36 5.789 -3.501 -0.325 263 HA ALA 36 HA ALA 36 4.059 -5.696 -1.265 264 HB1 ALA 36 1HB ALA 36 5.387 -6.469 0.628 265 HB2 ALA 36 2HB ALA 36 3.683 -6.340 1.068 266 HB3 ALA 36 3HB ALA 36 4.826 -5.104 1.595 267 H ILE 37 H ILE 37 1.948 -5.207 -1.385 268 HA ILE 37 HA ILE 37 1.066 -2.547 -0.772 269 HB ILE 37 HB ILE 37 -0.543 -4.942 -1.680 270 HG12 ILE 37 2HG1 ILE 37 1.230 -4.426 -3.283 271 HG13 ILE 37 1HG1 ILE 37 -0.337 -3.975 -3.941 272 HG21 ILE 37 1HG2 ILE 37 -1.965 -3.265 -0.739 273 HG22 ILE 37 2HG2 ILE 37 -2.133 -3.227 -2.493 274 HG23 ILE 37 3HG2 ILE 37 -1.166 -2.002 -1.672 275 HD11 ILE 37 3HD1 ILE 37 1.664 -2.094 -2.721 276 HD12 ILE 37 1HD1 ILE 37 0.102 -1.640 -3.404 277 HD13 ILE 37 2HD1 ILE 37 1.359 -2.314 -4.443 278 H ILE 38 H ILE 38 0.557 -1.977 1.282 279 HA ILE 38 HA ILE 38 -0.211 -4.051 3.172 280 HB ILE 38 HB ILE 38 0.150 -1.114 3.754 281 HG12 ILE 38 2HG1 ILE 38 2.206 -2.025 2.715 282 HG13 ILE 38 1HG1 ILE 38 2.445 -1.595 4.404 283 HG21 ILE 38 1HG2 ILE 38 -1.029 -2.394 5.458 284 HG22 ILE 38 2HG2 ILE 38 0.559 -1.880 6.031 285 HG23 ILE 38 3HG2 ILE 38 0.303 -3.548 5.519 286 HD11 ILE 38 3HD1 ILE 38 3.550 -3.679 3.834 287 HD12 ILE 38 1HD1 ILE 38 2.002 -4.375 3.349 288 HD13 ILE 38 2HD1 ILE 38 2.281 -3.932 5.034 289 H PHE 39 H PHE 39 -2.328 -4.587 2.738 290 HA PHE 39 HA PHE 39 -4.345 -2.473 2.774 291 HB2 PHE 39 2HB PHE 39 -4.569 -5.471 2.449 292 HB3 PHE 39 1HB PHE 39 -5.964 -4.414 2.590 293 HD1 PHE 39 1HD PHE 39 -5.087 -2.120 0.880 294 HD2 PHE 39 2HD PHE 39 -4.759 -6.334 0.334 295 HE1 PHE 39 1HE PHE 39 -5.112 -1.805 -1.574 296 HE2 PHE 39 2HE PHE 39 -4.768 -6.024 -2.095 297 HZ PHE 39 HZ PHE 39 -4.942 -3.783 -3.046 298 H HIS 40 H HIS 40 -5.162 -1.778 4.613 299 HA HIS 40 HA HIS 40 -4.715 -3.324 7.051 300 HB2 HIS 40 2HB HIS 40 -5.943 -0.564 6.793 301 HB3 HIS 40 1HB HIS 40 -5.385 -1.334 8.273 302 HD1 HIS 40 1HD HIS 40 -3.274 -0.204 9.020 303 HD2 HIS 40 2HD HIS 40 -3.461 -0.621 4.892 304 HE1 HIS 40 1HE HIS 40 -1.166 0.847 8.112 305 HE2 HIS 40 2HE HIS 40 -1.444 0.817 5.627 306 H THR 41 H THR 41 -6.204 -4.662 7.745 307 HA THR 41 HA THR 41 -8.729 -4.698 6.354 308 HB THR 41 HB THR 41 -9.047 -6.872 7.643 309 HG1 THR 41 1HG THR 41 -6.288 -6.989 7.961 310 HG21 THR 41 3HG2 THR 41 -8.404 -6.790 5.284 311 HG22 THR 41 1HG2 THR 41 -7.562 -8.097 6.121 312 HG23 THR 41 2HG2 THR 41 -6.713 -6.598 5.747 313 H LYS 42 H LYS 42 -10.713 -5.071 7.370 314 HA LYS 42 HA LYS 42 -11.336 -3.259 9.452 315 HB2 LYS 42 2HB LYS 42 -12.789 -4.210 7.516 316 HB3 LYS 42 1HB LYS 42 -13.092 -5.553 8.604 317 HG2 LYS 42 2HG LYS 42 -14.099 -4.065 10.223 318 HG3 LYS 42 1HG LYS 42 -13.711 -2.670 9.209 319 HD2 LYS 42 2HD LYS 42 -15.074 -3.765 7.387 320 HD3 LYS 42 1HD LYS 42 -15.610 -4.925 8.601 321 HE2 LYS 42 2HE LYS 42 -15.990 -1.939 8.752 322 HE3 LYS 42 1HE LYS 42 -17.219 -3.100 8.258 323 HZ1 LYS 42 3HZ LYS 42 -15.983 -2.796 10.927 324 HZ2 LYS 42 1HZ LYS 42 -16.893 -4.164 10.494 325 HZ3 LYS 42 2HZ LYS 42 -17.613 -2.625 10.504 326 H LYS 43 H LYS 43 -9.756 -6.095 9.622 327 HA LYS 43 HA LYS 43 -10.949 -6.979 12.120 328 HB2 LYS 43 2HB LYS 43 -8.847 -8.283 10.387 329 HB3 LYS 43 1HB LYS 43 -9.508 -8.966 11.862 330 HG2 LYS 43 2HG LYS 43 -11.718 -9.056 10.844 331 HG3 LYS 43 1HG LYS 43 -11.064 -8.368 9.360 332 HD2 LYS 43 2HD LYS 43 -9.561 -10.306 9.153 333 HD3 LYS 43 1HD LYS 43 -10.281 -11.000 10.605 334 HE2 LYS 43 2HE LYS 43 -11.714 -10.380 8.026 335 HE3 LYS 43 1HE LYS 43 -11.226 -11.979 8.580 336 HZ1 LYS 43 3HZ LYS 43 -13.280 -10.198 9.760 337 HZ2 LYS 43 1HZ LYS 43 -12.671 -11.561 10.573 338 HZ3 LYS 43 2HZ LYS 43 -13.492 -11.744 9.103 339 H LYS 44 H LYS 44 -9.165 -4.568 11.596 340 HA LYS 44 HA LYS 44 -7.739 -3.331 12.873 341 HB2 LYS 44 2HB LYS 44 -7.876 -5.671 14.786 342 HB3 LYS 44 1HB LYS 44 -7.168 -4.108 15.156 343 HG2 LYS 44 2HG LYS 44 -10.049 -4.466 14.370 344 HG3 LYS 44 1HG LYS 44 -9.482 -4.499 16.040 345 HD2 LYS 44 2HD LYS 44 -9.075 -2.200 14.126 346 HD3 LYS 44 1HD LYS 44 -10.359 -2.286 15.334 347 HE2 LYS 44 2HE LYS 44 -8.547 -2.544 17.074 348 HE3 LYS 44 1HE LYS 44 -7.383 -2.167 15.806 349 HZ1 LYS 44 3HZ LYS 44 -7.923 -0.188 17.048 350 HZ2 LYS 44 1HZ LYS 44 -9.582 -0.409 16.757 351 HZ3 LYS 44 2HZ LYS 44 -8.535 -0.035 15.474 352 H LEU 45 H LEU 45 -6.812 -5.419 10.926 353 HA LEU 45 HA LEU 45 -4.030 -5.660 11.880 354 HB2 LEU 45 2HB LEU 45 -5.572 -7.625 10.181 355 HB3 LEU 45 1HB LEU 45 -3.868 -7.750 10.567 356 HG LEU 45 HG LEU 45 -6.108 -7.865 12.586 357 HD11 LEU 45 1HD1 LEU 45 -5.504 -10.250 12.749 358 HD12 LEU 45 2HD1 LEU 45 -4.414 -10.044 11.377 359 HD13 LEU 45 3HD1 LEU 45 -6.150 -9.817 11.167 360 HD21 LEU 45 3HD2 LEU 45 -3.152 -8.381 12.869 361 HD22 LEU 45 1HD2 LEU 45 -4.370 -8.596 14.127 362 HD23 LEU 45 2HD2 LEU 45 -4.024 -6.984 13.504 363 H SER 46 H SER 46 -2.509 -6.056 9.957 364 HA SER 46 HA SER 46 -3.475 -4.691 7.541 365 HB2 SER 46 2HB SER 46 -0.728 -4.409 8.771 366 HB3 SER 46 1HB SER 46 -1.242 -3.708 7.242 367 HG SER 46 HG SER 46 -1.604 -2.788 9.754 368 H VAL 47 H VAL 47 -3.338 -5.908 5.816 369 HA VAL 47 HA VAL 47 -1.895 -8.433 5.975 370 HB VAL 47 HB VAL 47 -3.895 -7.396 3.956 371 HG11 VAL 47 1HG1 VAL 47 -3.933 -9.647 3.030 372 HG12 VAL 47 2HG1 VAL 47 -2.658 -10.139 4.146 373 HG13 VAL 47 3HG1 VAL 47 -2.323 -8.941 2.896 374 HG21 VAL 47 3HG2 VAL 47 -4.146 -9.507 6.095 375 HG22 VAL 47 1HG2 VAL 47 -5.399 -9.051 4.938 376 HG23 VAL 47 2HG2 VAL 47 -4.850 -7.892 6.148 377 H CYS 48 H CYS 48 -0.060 -8.836 4.857 378 HA CYS 48 HA CYS 48 1.082 -6.728 3.246 379 HB2 CYS 48 2HB CYS 48 2.239 -9.482 3.742 380 HB3 CYS 48 1HB CYS 48 3.096 -8.028 3.229 381 H ALA 49 H ALA 49 -0.385 -6.665 1.584 382 HA ALA 49 HA ALA 49 -1.208 -8.998 0.176 383 HB1 ALA 49 1HB ALA 49 -2.660 -7.053 0.444 384 HB2 ALA 49 2HB ALA 49 -2.396 -7.409 -1.263 385 HB3 ALA 49 3HB ALA 49 -1.541 -6.067 -0.497 386 H ASN 50 H ASN 50 -0.664 -9.703 -1.836 387 HA ASN 50 HA ASN 50 2.085 -9.159 -2.545 388 HB2 ASN 50 2HB ASN 50 0.061 -11.076 -3.709 389 HB3 ASN 50 1HB ASN 50 1.729 -10.955 -4.247 390 HD21 ASN 50 1HD2 ASN 50 0.742 -10.685 -0.891 391 HD22 ASN 50 2HD2 ASN 50 1.430 -12.201 -0.400 392 HA PRO 51 HA PRO 51 0.887 -6.631 -6.030 393 HB2 PRO 51 2HB PRO 51 3.724 -6.525 -6.681 394 HB3 PRO 51 1HB PRO 51 2.658 -5.212 -6.171 395 HG2 PRO 51 2HG PRO 51 4.645 -6.196 -4.599 396 HG3 PRO 51 1HG PRO 51 3.149 -5.503 -3.948 397 HD2 PRO 51 2HD PRO 51 3.895 -8.383 -4.315 398 HD3 PRO 51 1HD PRO 51 3.075 -7.603 -2.937 399 H LYS 52 H LYS 52 1.577 -9.636 -5.837 400 HA LYS 52 HA LYS 52 2.316 -10.252 -8.571 401 HB2 LYS 52 2HB LYS 52 3.192 -11.992 -7.408 402 HB3 LYS 52 1HB LYS 52 2.192 -11.648 -5.998 403 HG2 LYS 52 2HG LYS 52 0.338 -12.815 -6.999 404 HG3 LYS 52 1HG LYS 52 1.290 -13.156 -8.447 405 HD2 LYS 52 2HD LYS 52 1.605 -15.127 -7.335 406 HD3 LYS 52 1HD LYS 52 2.954 -14.206 -6.672 407 HE2 LYS 52 2HE LYS 52 1.856 -15.312 -4.858 408 HE3 LYS 52 1HE LYS 52 1.491 -13.594 -4.744 409 HZ1 LYS 52 3HZ LYS 52 -0.687 -13.933 -5.472 410 HZ2 LYS 52 1HZ LYS 52 -0.422 -15.226 -4.409 411 HZ3 LYS 52 2HZ LYS 52 -0.360 -15.470 -6.088 412 H GLN 53 H GLN 53 -0.525 -9.813 -6.676 413 HA GLN 53 HA GLN 53 -2.061 -11.679 -8.339 414 HB2 GLN 53 2HB GLN 53 -3.654 -11.473 -6.265 415 HB3 GLN 53 1HB GLN 53 -2.231 -12.508 -6.198 416 HG2 GLN 53 2HG GLN 53 -1.018 -10.517 -5.193 417 HG3 GLN 53 1HG GLN 53 -2.602 -9.779 -5.001 418 HE21 GLN 53 1HE2 GLN 53 -2.434 -9.730 -2.781 419 HE22 GLN 53 2HE2 GLN 53 -2.504 -11.173 -1.817 420 H THR 54 H THR 54 -3.956 -11.085 -9.275 421 HA THR 54 HA THR 54 -4.107 -8.365 -10.035 422 HB THR 54 HB THR 54 -6.325 -9.281 -11.127 423 HG1 THR 54 1HG THR 54 -5.652 -11.669 -11.534 424 HG21 THR 54 3HG2 THR 54 -5.015 -10.010 -13.033 425 HG22 THR 54 1HG2 THR 54 -3.589 -10.195 -12.013 426 HG23 THR 54 2HG2 THR 54 -4.265 -8.591 -12.298 427 H TRP 55 H TRP 55 -5.942 -10.281 -7.720 428 HA TRP 55 HA TRP 55 -8.086 -8.489 -7.460 429 HB2 TRP 55 2HB TRP 55 -8.671 -9.579 -5.456 430 HB3 TRP 55 1HB TRP 55 -8.041 -10.809 -6.534 431 HD1 TRP 55 HD TRP 55 -5.800 -11.958 -5.809 432 HE1 TRP 55 1HE TRP 55 -4.528 -12.064 -3.632 433 HE3 TRP 55 3HE TRP 55 -8.062 -8.175 -3.558 434 HZ2 TRP 55 2HZ TRP 55 -4.501 -10.646 -1.167 435 HZ3 TRP 55 3HZ TRP 55 -7.399 -7.575 -1.366 436 HH2 TRP 55 HH TRP 55 -5.686 -8.750 -0.131 437 H VAL 56 H VAL 56 -4.906 -8.586 -6.094 438 HA VAL 56 HA VAL 56 -5.225 -6.370 -4.351 439 HB VAL 56 HB VAL 56 -2.900 -7.881 -5.467 440 HG11 VAL 56 1HG1 VAL 56 -2.682 -5.244 -4.028 441 HG12 VAL 56 2HG1 VAL 56 -2.135 -5.606 -5.667 442 HG13 VAL 56 3HG1 VAL 56 -1.351 -6.369 -4.283 443 HG21 VAL 56 3HG2 VAL 56 -4.045 -8.683 -3.480 444 HG22 VAL 56 1HG2 VAL 56 -3.758 -7.136 -2.681 445 HG23 VAL 56 2HG2 VAL 56 -2.399 -8.175 -3.102 446 H LYS 57 H LYS 57 -3.967 -6.774 -7.637 447 HA LYS 57 HA LYS 57 -3.234 -4.098 -8.033 448 HB2 LYS 57 2HB LYS 57 -4.057 -6.162 -10.084 449 HB3 LYS 57 1HB LYS 57 -3.213 -4.657 -10.434 450 HG2 LYS 57 2HG LYS 57 -1.379 -5.454 -8.907 451 HG3 LYS 57 1HG LYS 57 -2.200 -7.013 -8.866 452 HD2 LYS 57 2HD LYS 57 -1.954 -7.231 -11.271 453 HD3 LYS 57 1HD LYS 57 -1.191 -5.637 -11.356 454 HE2 LYS 57 2HE LYS 57 0.596 -6.476 -9.841 455 HE3 LYS 57 1HE LYS 57 -0.138 -8.077 -9.915 456 HZ1 LYS 57 3HZ LYS 57 1.677 -7.926 -11.455 457 HZ2 LYS 57 1HZ LYS 57 0.996 -6.557 -12.197 458 HZ3 LYS 57 2HZ LYS 57 0.218 -8.061 -12.318 459 H TYR 58 H TYR 58 -6.307 -5.736 -8.346 460 HA TYR 58 HA TYR 58 -7.684 -3.618 -9.614 461 HB2 TYR 58 2HB TYR 58 -8.832 -5.644 -9.692 462 HB3 TYR 58 1HB TYR 58 -8.496 -6.013 -8.004 463 HD1 TYR 58 1HD TYR 58 -10.442 -3.635 -10.132 464 HD2 TYR 58 2HD TYR 58 -10.136 -5.666 -6.407 465 HE1 TYR 58 1HE TYR 58 -12.654 -2.777 -9.486 466 HE2 TYR 58 2HE TYR 58 -12.339 -4.817 -5.753 467 HH TYR 58 HH TYR 58 -13.812 -2.834 -6.359 468 H ILE 59 H ILE 59 -7.335 -4.535 -6.187 469 HA ILE 59 HA ILE 59 -8.948 -2.412 -5.241 470 HB ILE 59 HB ILE 59 -6.894 -3.995 -3.695 471 HG12 ILE 59 2HG1 ILE 59 -9.862 -4.475 -4.050 472 HG13 ILE 59 1HG1 ILE 59 -8.585 -5.412 -4.809 473 HG21 ILE 59 1HG2 ILE 59 -9.281 -2.400 -2.766 474 HG22 ILE 59 2HG2 ILE 59 -7.590 -1.953 -2.553 475 HG23 ILE 59 3HG2 ILE 59 -8.231 -3.379 -1.738 476 HD11 ILE 59 3HD1 ILE 59 -9.501 -6.579 -2.908 477 HD12 ILE 59 1HD1 ILE 59 -9.113 -5.214 -1.861 478 HD13 ILE 59 2HD1 ILE 59 -7.818 -6.145 -2.617 479 H VAL 60 H VAL 60 -5.410 -2.802 -5.514 480 HA VAL 60 HA VAL 60 -4.822 -0.333 -4.239 481 HB VAL 60 HB VAL 60 -3.147 -2.125 -4.405 482 HG11 VAL 60 1HG1 VAL 60 -1.907 -2.471 -6.503 483 HG12 VAL 60 2HG1 VAL 60 -3.035 -1.397 -7.333 484 HG13 VAL 60 3HG1 VAL 60 -3.605 -2.919 -6.656 485 HG21 VAL 60 3HG2 VAL 60 -2.376 0.124 -3.971 486 HG22 VAL 60 1HG2 VAL 60 -2.325 0.472 -5.699 487 HG23 VAL 60 2HG2 VAL 60 -1.216 -0.711 -5.006 488 H ARG 61 H ARG 61 -5.444 -1.216 -7.591 489 HA ARG 61 HA ARG 61 -4.706 1.266 -8.733 490 HB2 ARG 61 2HB ARG 61 -4.976 -0.686 -10.133 491 HB3 ARG 61 1HB ARG 61 -6.659 -0.848 -9.660 492 HG2 ARG 61 2HG ARG 61 -5.947 1.721 -10.905 493 HG3 ARG 61 1HG ARG 61 -5.821 0.303 -11.948 494 HD2 ARG 61 2HD ARG 61 -8.256 1.129 -10.362 495 HD3 ARG 61 1HD ARG 61 -8.034 1.337 -12.100 496 HE ARG 61 HE ARG 61 -7.687 -1.383 -11.433 497 HH11 ARG 61 1HH1 ARG 61 -10.224 1.032 -11.642 498 HH12 ARG 61 2HH1 ARG 61 -11.459 -0.131 -11.998 499 HH21 ARG 61 1HH2 ARG 61 -9.342 -2.905 -11.907 500 HH22 ARG 61 2HH2 ARG 61 -10.971 -2.340 -12.163 501 H LEU 62 H LEU 62 -7.712 0.016 -7.400 502 HA LEU 62 HA LEU 62 -9.308 2.294 -7.917 503 HB2 LEU 62 2HB LEU 62 -10.118 0.006 -7.313 504 HB3 LEU 62 1HB LEU 62 -9.563 0.289 -5.675 505 HG LEU 62 HG LEU 62 -11.132 2.238 -5.566 506 HD11 LEU 62 1HD1 LEU 62 -12.934 2.348 -7.207 507 HD12 LEU 62 2HD1 LEU 62 -12.165 1.064 -8.141 508 HD13 LEU 62 3HD1 LEU 62 -11.362 2.624 -7.961 509 HD21 LEU 62 3HD2 LEU 62 -11.703 0.120 -4.539 510 HD22 LEU 62 1HD2 LEU 62 -12.307 -0.492 -6.080 511 HD23 LEU 62 2HD2 LEU 62 -13.137 0.839 -5.273 512 H LEU 63 H LEU 63 -7.430 1.243 -5.117 513 HA LEU 63 HA LEU 63 -8.165 3.375 -3.454 514 HB2 LEU 63 2HB LEU 63 -5.883 1.445 -3.350 515 HB3 LEU 63 1HB LEU 63 -6.171 2.651 -2.100 516 HG LEU 63 HG LEU 63 -8.134 0.509 -2.943 517 HD11 LEU 63 1HD1 LEU 63 -7.692 -0.502 -0.775 518 HD12 LEU 63 2HD1 LEU 63 -6.462 0.720 -0.450 519 HD13 LEU 63 3HD1 LEU 63 -6.233 -0.433 -1.763 520 HD21 LEU 63 3HD2 LEU 63 -9.423 1.231 -0.991 521 HD22 LEU 63 1HD2 LEU 63 -9.237 2.534 -2.166 522 HD23 LEU 63 2HD2 LEU 63 -8.257 2.522 -0.701 523 H SER 64 H SER 64 -5.490 3.020 -5.715 524 HA SER 64 HA SER 64 -4.234 5.438 -4.782 525 HB2 SER 64 2HB SER 64 -3.657 3.695 -7.180 526 HB3 SER 64 1HB SER 64 -2.645 5.035 -6.637 527 HG SER 64 HG SER 64 -2.874 2.491 -5.647 528 H LYS 65 H LYS 65 -6.937 4.955 -6.642 529 HA LYS 65 HA LYS 65 -6.445 7.420 -8.152 530 HB2 LYS 65 2HB LYS 65 -8.530 5.293 -8.618 531 HB3 LYS 65 1HB LYS 65 -8.431 6.794 -9.524 532 HG2 LYS 65 2HG LYS 65 -6.363 4.609 -9.459 533 HG3 LYS 65 1HG LYS 65 -7.465 4.980 -10.785 534 HD2 LYS 65 2HD LYS 65 -6.417 7.235 -10.934 535 HD3 LYS 65 1HD LYS 65 -5.244 6.715 -9.720 536 HE2 LYS 65 2HE LYS 65 -4.224 6.419 -11.847 537 HE3 LYS 65 1HE LYS 65 -4.647 4.817 -11.244 538 HZ1 LYS 65 3HZ LYS 65 -5.881 6.366 -13.426 539 HZ2 LYS 65 1HZ LYS 65 -6.797 5.195 -12.602 540 HZ3 LYS 65 2HZ LYS 65 -5.385 4.744 -13.409 541 H LYS 66 H LYS 66 -7.985 6.267 -5.467 542 HA LYS 66 HA LYS 66 -9.980 8.423 -5.540 543 HB2 LYS 66 2HB LYS 66 -10.968 6.156 -5.493 544 HB3 LYS 66 1HB LYS 66 -10.142 5.844 -3.973 545 HG2 LYS 66 2HG LYS 66 -11.421 7.557 -2.872 546 HG3 LYS 66 1HG LYS 66 -12.172 8.022 -4.400 547 HD2 LYS 66 2HD LYS 66 -13.156 5.757 -4.560 548 HD3 LYS 66 1HD LYS 66 -12.468 5.377 -2.980 549 HE2 LYS 66 2HE LYS 66 -14.443 7.581 -3.549 550 HE3 LYS 66 1HE LYS 66 -14.831 6.019 -2.832 551 HZ1 LYS 66 3HZ LYS 66 -14.577 7.783 -1.180 552 HZ2 LYS 66 1HZ LYS 66 -12.968 8.009 -1.653 553 HZ3 LYS 66 2HZ LYS 66 -13.452 6.537 -0.953 554 H VAL 67 H VAL 67 -7.594 6.794 -3.577 555 HA VAL 67 HA VAL 67 -7.992 8.648 -1.362 556 HB VAL 67 HB VAL 67 -5.876 6.499 -1.536 557 HG11 VAL 67 1HG1 VAL 67 -5.633 8.044 0.311 558 HG12 VAL 67 2HG1 VAL 67 -6.135 6.465 0.916 559 HG13 VAL 67 3HG1 VAL 67 -7.308 7.777 0.790 560 HG21 VAL 67 3HG2 VAL 67 -8.739 6.155 -0.640 561 HG22 VAL 67 1HG2 VAL 67 -7.456 4.960 -0.453 562 HG23 VAL 67 2HG2 VAL 67 -7.996 5.428 -2.067 563 H LYS 68 H LYS 68 -6.795 9.121 -4.164 564 HA LYS 68 HA LYS 68 -4.154 10.143 -3.476 565 HB2 LYS 68 2HB LYS 68 -4.376 8.856 -5.532 566 HB3 LYS 68 1HB LYS 68 -5.638 9.935 -6.105 567 HG2 LYS 68 2HG LYS 68 -4.104 11.706 -6.429 568 HG3 LYS 68 1HG LYS 68 -2.828 10.850 -5.556 569 HD2 LYS 68 2HD LYS 68 -2.632 9.219 -7.283 570 HD3 LYS 68 1HD LYS 68 -4.084 9.808 -8.091 571 HE2 LYS 68 2HE LYS 68 -1.650 11.521 -7.694 572 HE3 LYS 68 1HE LYS 68 -1.848 10.475 -9.098 573 HZ1 LYS 68 3HZ LYS 68 -3.580 12.750 -8.294 574 HZ2 LYS 68 1HZ LYS 68 -3.975 11.654 -9.531 575 HZ3 LYS 68 2HZ LYS 68 -2.600 12.634 -9.673 576 H ASN 69 H ASN 69 -7.354 11.202 -3.630 577 HA ASN 69 HA ASN 69 -6.531 13.987 -4.054 578 HB2 ASN 69 2HB ASN 69 -8.278 13.329 -5.580 579 HB3 ASN 69 1HB ASN 69 -9.251 12.684 -4.266 580 HD21 ASN 69 1HD2 ASN 69 -10.490 14.031 -3.060 581 HD22 ASN 69 2HD2 ASN 69 -10.684 15.720 -3.396 582 H MET 70 H MET 70 -7.105 15.582 -2.564 583 HA MET 70 HA MET 70 -7.456 14.606 0.153 584 HB2 MET 70 2HB MET 70 -5.700 16.281 -0.421 585 HB3 MET 70 1HB MET 70 -6.969 17.419 -0.845 586 HG2 MET 70 2HG MET 70 -6.147 17.923 1.349 587 HG3 MET 70 1HG MET 70 -7.799 17.317 1.472 588 HE1 MET 70 3HE MET 70 -7.188 17.111 4.129 589 HE2 MET 70 1HE MET 70 -5.503 17.539 3.839 590 HE3 MET 70 2HE MET 70 -5.898 16.074 4.741 Start of MODEL 9 1 H1 ALA 1 1HT ALA 1 14.438 -6.342 12.046 2 H2 ALA 1 2HT ALA 1 13.487 -7.467 12.882 3 H3 ALA 1 3HT ALA 1 12.767 -6.404 11.771 4 HA ALA 1 HA ALA 1 14.690 -8.567 11.147 5 HB1 ALA 1 1HB ALA 1 11.773 -8.292 10.437 6 HB2 ALA 1 2HB ALA 1 12.431 -9.364 11.674 7 HB3 ALA 1 3HB ALA 1 12.840 -9.620 9.977 8 H SER 2 H SER 2 12.329 -6.365 9.616 9 HA SER 2 HA SER 2 14.066 -6.186 7.270 10 HB2 SER 2 2HB SER 2 11.272 -5.102 7.711 11 HB3 SER 2 1HB SER 2 12.141 -5.158 6.174 12 HG SER 2 HG SER 2 10.574 -6.914 6.664 13 H ASN 3 H ASN 3 13.462 -3.665 6.316 14 HA ASN 3 HA ASN 3 15.130 -2.041 7.976 15 HB2 ASN 3 2HB ASN 3 15.156 -1.922 5.474 16 HB3 ASN 3 1HB ASN 3 13.561 -1.165 5.534 17 HD21 ASN 3 1HD2 ASN 3 13.369 0.939 6.277 18 HD22 ASN 3 2HD2 ASN 3 14.736 1.984 6.484 19 H PHE 4 H PHE 4 11.909 -1.234 6.650 20 HA PHE 4 HA PHE 4 11.286 -0.080 9.256 21 HB2 PHE 4 2HB PHE 4 10.455 1.958 8.353 22 HB3 PHE 4 1HB PHE 4 12.059 1.709 7.684 23 HD1 PHE 4 2HD PHE 4 12.049 0.414 5.353 24 HD2 PHE 4 1HD PHE 4 8.781 2.633 6.928 25 HE1 PHE 4 2HE PHE 4 11.111 0.638 3.099 26 HE2 PHE 4 1HE PHE 4 7.839 2.847 4.666 27 HZ PHE 4 HZ PHE 4 9.015 1.840 2.756 28 H ASP 5 H ASP 5 9.974 -1.310 6.245 29 HA ASP 5 HA ASP 5 7.468 -1.770 7.626 30 HB2 ASP 5 2HB ASP 5 7.773 0.445 6.067 31 HB3 ASP 5 1HB ASP 5 7.051 -0.706 4.954 32 H CYS 6 H CYS 6 9.345 -2.340 4.796 33 HA CYS 6 HA CYS 6 8.023 -4.095 3.322 34 HB2 CYS 6 2HB CYS 6 10.257 -5.372 3.107 35 HB3 CYS 6 1HB CYS 6 10.183 -3.685 2.605 36 H CYS 7 H CYS 7 6.793 -5.771 3.749 37 HA CYS 7 HA CYS 7 6.851 -7.257 6.106 38 HB2 CYS 7 2HB CYS 7 5.740 -8.010 3.401 39 HB3 CYS 7 1HB CYS 7 5.396 -8.861 4.900 40 H LEU 8 H LEU 8 7.505 -9.441 6.471 41 HA LEU 8 HA LEU 8 9.908 -10.247 5.116 42 HB2 LEU 8 2HB LEU 8 9.560 -12.332 6.615 43 HB3 LEU 8 1HB LEU 8 9.953 -10.800 7.366 44 HG LEU 8 HG LEU 8 7.459 -10.512 7.782 45 HD11 LEU 8 1HD1 LEU 8 6.603 -12.145 6.229 46 HD12 LEU 8 2HD1 LEU 8 6.142 -12.580 7.873 47 HD13 LEU 8 3HD1 LEU 8 7.458 -13.437 7.073 48 HD21 LEU 8 3HD2 LEU 8 9.024 -11.077 9.547 49 HD22 LEU 8 1HD2 LEU 8 8.905 -12.785 9.127 50 HD23 LEU 8 2HD2 LEU 8 7.497 -11.935 9.767 51 H GLY 9 H GLY 9 7.451 -10.055 3.569 52 HA2 GLY 9 2HA GLY 9 7.323 -11.605 1.575 53 HA3 GLY 9 1HA GLY 9 6.985 -12.851 2.772 54 H TYR 10 H TYR 10 5.238 -12.100 0.628 55 HA TYR 10 HA TYR 10 3.087 -10.814 2.135 56 HB2 TYR 10 2HB TYR 10 2.128 -10.971 -0.437 57 HB3 TYR 10 1HB TYR 10 2.855 -9.554 0.305 58 HD1 TYR 10 1HD TYR 10 5.326 -9.195 0.001 59 HD2 TYR 10 2HD TYR 10 3.098 -11.956 -2.315 60 HE1 TYR 10 1HE TYR 10 7.107 -9.175 -1.698 61 HE2 TYR 10 2HE TYR 10 4.875 -11.970 -4.032 62 HH TYR 10 HH TYR 10 7.960 -10.615 -3.491 63 H THR 11 H THR 11 0.851 -11.638 1.299 64 HA THR 11 HA THR 11 0.808 -14.354 2.269 65 HB THR 11 HB THR 11 -0.647 -12.495 3.104 66 HG1 THR 11 1HG THR 11 -1.126 -14.848 3.268 67 HG21 THR 11 3HG2 THR 11 -1.248 -11.466 0.987 68 HG22 THR 11 1HG2 THR 11 -2.700 -11.979 1.849 69 HG23 THR 11 2HG2 THR 11 -2.094 -12.932 0.494 70 H ASP 12 H ASP 12 -1.254 -15.622 1.252 71 HA ASP 12 HA ASP 12 -1.228 -15.400 -1.676 72 HB2 ASP 12 2HB ASP 12 -0.790 -17.915 -0.066 73 HB3 ASP 12 1HB ASP 12 -1.409 -17.969 -1.710 74 H ARG 13 H ARG 13 -3.197 -14.223 -1.081 75 HA ARG 13 HA ARG 13 -5.437 -16.023 -0.455 76 HB2 ARG 13 2HB ARG 13 -4.985 -13.269 0.709 77 HB3 ARG 13 1HB ARG 13 -6.421 -14.254 0.954 78 HG2 ARG 13 2HG ARG 13 -5.139 -15.936 2.120 79 HG3 ARG 13 1HG ARG 13 -3.643 -15.067 1.779 80 HD2 ARG 13 2HD ARG 13 -4.242 -14.591 4.022 81 HD3 ARG 13 1HD ARG 13 -4.562 -13.141 3.077 82 HE ARG 13 HE ARG 13 -6.960 -14.375 3.089 83 HH11 ARG 13 1HH1 ARG 13 -4.704 -13.645 5.672 84 HH12 ARG 13 2HH1 ARG 13 -5.951 -13.398 6.859 85 HH21 ARG 13 1HH2 ARG 13 -8.585 -14.071 4.649 86 HH22 ARG 13 2HH2 ARG 13 -8.149 -13.623 6.275 87 H ILE 14 H ILE 14 -7.545 -14.832 -0.782 88 HA ILE 14 HA ILE 14 -7.409 -12.783 -2.887 89 HB ILE 14 HB ILE 14 -9.430 -14.999 -2.542 90 HG12 ILE 14 2HG1 ILE 14 -7.231 -15.256 -3.901 91 HG13 ILE 14 1HG1 ILE 14 -8.745 -15.810 -4.606 92 HG21 ILE 14 1HG2 ILE 14 -10.745 -13.988 -4.320 93 HG22 ILE 14 2HG2 ILE 14 -9.636 -12.618 -4.372 94 HG23 ILE 14 3HG2 ILE 14 -10.622 -12.902 -2.936 95 HD11 ILE 14 3HD1 ILE 14 -7.421 -14.623 -6.242 96 HD12 ILE 14 1HD1 ILE 14 -7.365 -13.205 -5.193 97 HD13 ILE 14 2HD1 ILE 14 -8.904 -13.729 -5.882 98 H LEU 15 H LEU 15 -7.534 -11.049 -1.523 99 HA LEU 15 HA LEU 15 -9.755 -10.964 0.408 100 HB2 LEU 15 2HB LEU 15 -7.228 -9.318 0.282 101 HB3 LEU 15 1HB LEU 15 -8.481 -9.162 1.502 102 HG LEU 15 HG LEU 15 -7.647 -11.894 1.388 103 HD11 LEU 15 1HD1 LEU 15 -5.418 -9.898 1.737 104 HD12 LEU 15 2HD1 LEU 15 -5.580 -11.060 0.414 105 HD13 LEU 15 3HD1 LEU 15 -5.314 -11.627 2.069 106 HD21 LEU 15 3HD2 LEU 15 -7.153 -11.484 3.740 107 HD22 LEU 15 1HD2 LEU 15 -8.707 -10.786 3.275 108 HD23 LEU 15 2HD2 LEU 15 -7.293 -9.747 3.472 109 H HIS 16 H HIS 16 -10.851 -8.820 0.618 110 HA HIS 16 HA HIS 16 -10.938 -7.470 -1.998 111 HB2 HIS 16 2HB HIS 16 -13.381 -8.287 -0.421 112 HB3 HIS 16 1HB HIS 16 -13.357 -7.494 -1.985 113 HD1 HIS 16 1HD HIS 16 -14.992 -9.803 -1.973 114 HD2 HIS 16 2HD HIS 16 -10.884 -10.187 -2.518 115 HE1 HIS 16 1HE HIS 16 -14.660 -12.063 -2.924 116 HE2 HIS 16 2HE HIS 16 -12.237 -12.148 -3.586 117 HA PRO 17 HA PRO 17 -11.929 -3.629 0.291 118 HB2 PRO 17 2HB PRO 17 -14.520 -3.153 -0.652 119 HB3 PRO 17 1HB PRO 17 -13.033 -2.529 -1.370 120 HG2 PRO 17 2HG PRO 17 -14.686 -4.877 -2.169 121 HG3 PRO 17 1HG PRO 17 -13.781 -3.735 -3.182 122 HD2 PRO 17 2HD PRO 17 -12.873 -6.224 -2.692 123 HD3 PRO 17 1HD PRO 17 -11.765 -4.834 -2.832 124 H LYS 18 H LYS 18 -13.990 -6.378 0.071 125 HA LYS 18 HA LYS 18 -15.815 -6.225 2.081 126 HB2 LYS 18 2HB LYS 18 -14.062 -8.461 1.108 127 HB3 LYS 18 1HB LYS 18 -15.215 -8.754 2.387 128 HG2 LYS 18 2HG LYS 18 -17.033 -8.053 0.905 129 HG3 LYS 18 1HG LYS 18 -15.858 -7.782 -0.383 130 HD2 LYS 18 2HD LYS 18 -16.908 -9.956 -0.654 131 HD3 LYS 18 1HD LYS 18 -15.200 -10.152 -0.258 132 HE2 LYS 18 2HE LYS 18 -16.059 -11.668 1.191 133 HE3 LYS 18 1HE LYS 18 -16.183 -10.233 2.207 134 HZ1 LYS 18 3HZ LYS 18 -18.254 -11.321 2.338 135 HZ2 LYS 18 1HZ LYS 18 -18.329 -11.571 0.662 136 HZ3 LYS 18 2HZ LYS 18 -18.515 -10.009 1.292 137 H PHE 19 H PHE 19 -12.339 -6.348 2.453 138 HA PHE 19 HA PHE 19 -12.717 -6.396 5.378 139 HB2 PHE 19 2HB PHE 19 -10.339 -7.558 3.919 140 HB3 PHE 19 1HB PHE 19 -10.653 -7.627 5.647 141 HD1 PHE 19 2HD PHE 19 -12.533 -9.033 6.491 142 HD2 PHE 19 1HD PHE 19 -11.257 -9.134 2.432 143 HE1 PHE 19 2HE PHE 19 -13.696 -11.181 6.177 144 HE2 PHE 19 1HE PHE 19 -12.414 -11.278 2.114 145 HZ PHE 19 HZ PHE 19 -13.637 -12.304 3.991 146 H ILE 20 H ILE 20 -11.672 -4.603 2.770 147 HA ILE 20 HA ILE 20 -9.311 -3.507 4.109 148 HB ILE 20 HB ILE 20 -10.220 -3.619 1.275 149 HG12 ILE 20 2HG1 ILE 20 -7.895 -4.179 0.858 150 HG13 ILE 20 1HG1 ILE 20 -7.462 -3.765 2.507 151 HG21 ILE 20 1HG2 ILE 20 -8.649 -1.853 0.601 152 HG22 ILE 20 2HG2 ILE 20 -8.394 -1.453 2.298 153 HG23 ILE 20 3HG2 ILE 20 -9.983 -1.228 1.571 154 HD11 ILE 20 3HD1 ILE 20 -7.549 -6.168 2.186 155 HD12 ILE 20 1HD1 ILE 20 -9.233 -6.050 1.672 156 HD13 ILE 20 2HD1 ILE 20 -8.784 -5.638 3.328 157 H VAL 21 H VAL 21 -9.345 -1.620 5.119 158 HA VAL 21 HA VAL 21 -11.334 0.380 4.269 159 HB VAL 21 HB VAL 21 -11.333 1.304 6.543 160 HG11 VAL 21 1HG1 VAL 21 -13.014 -0.379 5.881 161 HG12 VAL 21 2HG1 VAL 21 -12.655 -0.426 7.606 162 HG13 VAL 21 3HG1 VAL 21 -11.973 -1.647 6.534 163 HG21 VAL 21 3HG2 VAL 21 -10.336 0.033 8.400 164 HG22 VAL 21 1HG2 VAL 21 -9.118 0.628 7.269 165 HG23 VAL 21 2HG2 VAL 21 -9.601 -1.067 7.236 166 H GLY 22 H GLY 22 -8.068 -0.406 4.679 167 HA2 GLY 22 2HA GLY 22 -7.268 2.308 3.937 168 HA3 GLY 22 1HA GLY 22 -6.541 1.602 5.378 169 H PHE 23 H PHE 23 -4.990 2.367 3.196 170 HA PHE 23 HA PHE 23 -3.810 -0.156 2.380 171 HB2 PHE 23 2HB PHE 23 -5.155 -0.185 0.578 172 HB3 PHE 23 1HB PHE 23 -5.484 1.544 0.661 173 HD1 PHE 23 1HD PHE 23 -3.018 -0.968 -0.388 174 HD2 PHE 23 2HD PHE 23 -4.327 3.055 -0.585 175 HE1 PHE 23 1HE PHE 23 -1.421 -0.555 -2.202 176 HE2 PHE 23 2HE PHE 23 -2.743 3.490 -2.422 177 HZ PHE 23 HZ PHE 23 -1.298 1.667 -3.198 178 H THR 24 H THR 24 -1.705 -0.001 2.191 179 HA THR 24 HA THR 24 -0.456 2.591 1.607 180 HB THR 24 HB THR 24 0.538 0.604 3.663 181 HG1 THR 24 1HG THR 24 0.270 2.967 4.751 182 HG21 THR 24 3HG2 THR 24 2.389 1.637 2.474 183 HG22 THR 24 1HG2 THR 24 2.293 2.285 4.110 184 HG23 THR 24 2HG2 THR 24 1.706 3.239 2.748 185 H ARG 25 H ARG 25 0.823 2.374 -0.200 186 HA ARG 25 HA ARG 25 1.605 -0.335 -0.950 187 HB2 ARG 25 2HB ARG 25 2.393 0.707 -3.086 188 HB3 ARG 25 1HB ARG 25 0.671 0.857 -2.777 189 HG2 ARG 25 2HG ARG 25 0.867 3.153 -2.258 190 HG3 ARG 25 1HG ARG 25 2.626 3.054 -2.161 191 HD2 ARG 25 2HD ARG 25 1.824 4.109 -4.254 192 HD3 ARG 25 1HD ARG 25 2.786 2.660 -4.531 193 HE ARG 25 HE ARG 25 0.724 1.483 -5.006 194 HH11 ARG 25 1HH1 ARG 25 0.561 4.982 -4.934 195 HH12 ARG 25 2HH1 ARG 25 -0.841 5.063 -5.959 196 HH21 ARG 25 1HH2 ARG 25 -1.121 1.593 -6.385 197 HH22 ARG 25 2HH2 ARG 25 -1.819 3.137 -6.750 198 H GLN 26 H GLN 26 3.174 -0.843 0.445 199 HA GLN 26 HA GLN 26 5.388 0.811 1.084 200 HB2 GLN 26 2HB GLN 26 4.529 -0.996 2.520 201 HB3 GLN 26 1HB GLN 26 4.990 -2.179 1.317 202 HG2 GLN 26 2HG GLN 26 6.999 -0.396 2.628 203 HG3 GLN 26 1HG GLN 26 6.466 -1.903 3.364 204 HE21 GLN 26 1HE2 GLN 26 6.680 -3.850 2.017 205 HE22 GLN 26 2HE2 GLN 26 8.071 -3.969 0.981 206 H LEU 27 H LEU 27 7.185 1.164 -0.069 207 HA LEU 27 HA LEU 27 7.399 -0.281 -2.632 208 HB2 LEU 27 2HB LEU 27 7.963 2.602 -1.959 209 HB3 LEU 27 1HB LEU 27 8.351 1.861 -3.501 210 HG LEU 27 HG LEU 27 5.527 1.630 -2.627 211 HD11 LEU 27 1HD1 LEU 27 6.732 4.253 -3.517 212 HD12 LEU 27 2HD1 LEU 27 6.040 3.908 -1.932 213 HD13 LEU 27 3HD1 LEU 27 5.008 3.912 -3.363 214 HD21 LEU 27 3HD2 LEU 27 6.363 0.777 -4.789 215 HD22 LEU 27 1HD2 LEU 27 6.832 2.417 -5.238 216 HD23 LEU 27 2HD2 LEU 27 5.131 2.021 -4.992 217 H ALA 28 H ALA 28 9.406 -0.726 -3.473 218 HA ALA 28 HA ALA 28 11.522 -1.161 -1.582 219 HB1 ALA 28 1HB ALA 28 11.019 -2.798 -3.307 220 HB2 ALA 28 2HB ALA 28 12.666 -2.198 -3.489 221 HB3 ALA 28 3HB ALA 28 11.392 -1.616 -4.559 222 H ASN 29 H ASN 29 11.102 1.510 -1.657 223 HA ASN 29 HA ASN 29 13.580 2.516 -2.850 224 HB2 ASN 29 2HB ASN 29 10.831 3.687 -3.226 225 HB3 ASN 29 1HB ASN 29 12.274 4.684 -3.357 226 HD21 ASN 29 1HD2 ASN 29 10.395 2.148 -4.807 227 HD22 ASN 29 2HD2 ASN 29 11.204 2.148 -6.339 228 H GLU 30 H GLU 30 11.164 2.632 -0.371 229 HA GLU 30 HA GLU 30 12.157 5.140 0.713 230 HB2 GLU 30 2HB GLU 30 9.878 3.395 1.651 231 HB3 GLU 30 1HB GLU 30 10.212 5.042 2.170 232 HG2 GLU 30 2HG GLU 30 9.459 4.205 -0.626 233 HG3 GLU 30 1HG GLU 30 8.383 4.943 0.558 234 H GLY 31 H GLY 31 13.788 2.676 0.871 235 HA2 GLY 31 2HA GLY 31 15.400 2.650 2.771 236 HA3 GLY 31 1HA GLY 31 13.992 2.505 3.817 237 H CYS 32 H CYS 32 12.523 0.677 2.277 238 HA CYS 32 HA CYS 32 14.039 -1.771 2.719 239 HB2 CYS 32 2HB CYS 32 11.150 -1.177 2.149 240 HB3 CYS 32 1HB CYS 32 11.791 -2.816 2.093 241 H ASP 33 H ASP 33 14.053 -3.456 1.104 242 HA ASP 33 HA ASP 33 14.210 -2.345 -1.618 243 HB2 ASP 33 2HB ASP 33 15.897 -3.998 -2.119 244 HB3 ASP 33 1HB ASP 33 16.352 -3.162 -0.638 245 H ILE 34 H ILE 34 12.538 -4.516 0.362 246 HA ILE 34 HA ILE 34 11.396 -5.843 -1.994 247 HB ILE 34 HB ILE 34 10.895 -7.691 -0.757 248 HG12 ILE 34 2HG1 ILE 34 10.750 -7.287 1.942 249 HG13 ILE 34 1HG1 ILE 34 10.121 -5.760 1.332 250 HG21 ILE 34 1HG2 ILE 34 12.597 -8.179 0.904 251 HG22 ILE 34 2HG2 ILE 34 12.977 -6.459 1.033 252 HG23 ILE 34 3HG2 ILE 34 13.288 -7.324 -0.476 253 HD11 ILE 34 3HD1 ILE 34 8.433 -6.970 0.050 254 HD12 ILE 34 1HD1 ILE 34 8.340 -7.349 1.770 255 HD13 ILE 34 2HD1 ILE 34 9.074 -8.501 0.653 256 H ASN 35 H ASN 35 9.282 -5.449 -2.554 257 HA ASN 35 HA ASN 35 7.966 -3.353 -0.964 258 HB2 ASN 35 2HB ASN 35 6.806 -2.712 -3.074 259 HB3 ASN 35 1HB ASN 35 8.553 -2.519 -3.143 260 HD21 ASN 35 1HD2 ASN 35 9.753 -3.818 -4.508 261 HD22 ASN 35 2HD2 ASN 35 9.027 -4.780 -5.747 262 H ALA 36 H ALA 36 5.932 -3.592 -0.247 263 HA ALA 36 HA ALA 36 4.355 -5.883 -1.236 264 HB1 ALA 36 1HB ALA 36 5.528 -6.660 0.770 265 HB2 ALA 36 2HB ALA 36 3.787 -6.566 1.035 266 HB3 ALA 36 3HB ALA 36 4.848 -5.321 1.692 267 H ILE 37 H ILE 37 2.179 -5.502 -1.310 268 HA ILE 37 HA ILE 37 1.245 -2.808 -0.878 269 HB ILE 37 HB ILE 37 -0.322 -5.267 -1.675 270 HG12 ILE 37 2HG1 ILE 37 1.452 -4.859 -3.298 271 HG13 ILE 37 1HG1 ILE 37 -0.105 -4.424 -3.991 272 HG21 ILE 37 1HG2 ILE 37 -1.930 -3.644 -2.586 273 HG22 ILE 37 2HG2 ILE 37 -0.969 -2.330 -1.909 274 HG23 ILE 37 3HG2 ILE 37 -1.744 -3.500 -0.841 275 HD11 ILE 37 3HD1 ILE 37 1.600 -2.803 -4.575 276 HD12 ILE 37 1HD1 ILE 37 1.916 -2.501 -2.870 277 HD13 ILE 37 2HD1 ILE 37 0.355 -2.070 -3.568 278 H ILE 38 H ILE 38 0.988 -2.270 1.249 279 HA ILE 38 HA ILE 38 0.024 -4.277 3.115 280 HB ILE 38 HB ILE 38 0.839 -1.406 3.599 281 HG12 ILE 38 2HG1 ILE 38 2.312 -3.988 4.143 282 HG13 ILE 38 1HG1 ILE 38 2.680 -2.867 2.837 283 HG21 ILE 38 1HG2 ILE 38 0.239 -3.619 5.561 284 HG22 ILE 38 2HG2 ILE 38 -0.724 -2.165 5.289 285 HG23 ILE 38 3HG2 ILE 38 0.899 -2.037 5.971 286 HD11 ILE 38 3HD1 ILE 38 2.884 -2.290 5.783 287 HD12 ILE 38 1HD1 ILE 38 3.226 -1.144 4.489 288 HD13 ILE 38 2HD1 ILE 38 4.227 -2.585 4.678 289 H PHE 39 H PHE 39 -2.111 -4.613 2.723 290 HA PHE 39 HA PHE 39 -3.936 -2.353 2.662 291 HB2 PHE 39 2HB PHE 39 -4.337 -5.334 2.440 292 HB3 PHE 39 1HB PHE 39 -5.696 -4.246 2.688 293 HD1 PHE 39 2HD PHE 39 -4.961 -1.968 0.984 294 HD2 PHE 39 1HD PHE 39 -4.596 -6.150 0.295 295 HE1 PHE 39 2HE PHE 39 -5.092 -1.576 -1.448 296 HE2 PHE 39 1HE PHE 39 -4.720 -5.763 -2.127 297 HZ PHE 39 HZ PHE 39 -4.966 -3.481 -2.998 298 H HIS 40 H HIS 40 -5.179 -1.693 4.317 299 HA HIS 40 HA HIS 40 -4.594 -2.957 6.912 300 HB2 HIS 40 2HB HIS 40 -5.627 -0.148 6.452 301 HB3 HIS 40 1HB HIS 40 -5.019 -0.825 7.957 302 HD1 HIS 40 1HD HIS 40 -2.564 -0.476 8.418 303 HD2 HIS 40 2HD HIS 40 -3.547 0.156 4.437 304 HE1 HIS 40 1HE HIS 40 -0.461 0.371 7.313 305 HE2 HIS 40 2HE HIS 40 -1.170 1.011 4.997 306 H THR 41 H THR 41 -6.168 -4.092 7.760 307 HA THR 41 HA THR 41 -8.697 -4.180 6.413 308 HB THR 41 HB THR 41 -9.196 -6.032 8.001 309 HG1 THR 41 1HG THR 41 -6.487 -5.854 8.811 310 HG21 THR 41 3HG2 THR 41 -6.555 -6.248 6.552 311 HG22 THR 41 1HG2 THR 41 -8.147 -6.476 5.828 312 HG23 THR 41 2HG2 THR 41 -7.570 -7.597 7.062 313 H LYS 42 H LYS 42 -10.735 -4.196 7.488 314 HA LYS 42 HA LYS 42 -11.249 -2.123 9.323 315 HB2 LYS 42 2HB LYS 42 -12.989 -2.948 7.868 316 HB3 LYS 42 1HB LYS 42 -12.835 -4.571 8.520 317 HG2 LYS 42 2HG LYS 42 -13.755 -3.884 10.614 318 HG3 LYS 42 1HG LYS 42 -13.758 -2.192 10.108 319 HD2 LYS 42 2HD LYS 42 -15.420 -2.635 8.437 320 HD3 LYS 42 1HD LYS 42 -15.311 -4.373 8.721 321 HE2 LYS 42 2HE LYS 42 -17.291 -3.325 9.770 322 HE3 LYS 42 1HE LYS 42 -16.225 -4.127 10.921 323 HZ1 LYS 42 3HZ LYS 42 -15.352 -2.054 11.618 324 HZ2 LYS 42 1HZ LYS 42 -17.038 -1.912 11.636 325 HZ3 LYS 42 2HZ LYS 42 -16.144 -1.211 10.379 326 H LYS 43 H LYS 43 -9.853 -5.130 9.700 327 HA LYS 43 HA LYS 43 -10.696 -5.647 12.396 328 HB2 LYS 43 2HB LYS 43 -10.106 -7.381 10.600 329 HB3 LYS 43 1HB LYS 43 -8.431 -6.968 10.916 330 HG2 LYS 43 2HG LYS 43 -8.872 -8.905 12.166 331 HG3 LYS 43 1HG LYS 43 -8.876 -7.579 13.331 332 HD2 LYS 43 2HD LYS 43 -11.270 -7.543 13.374 333 HD3 LYS 43 1HD LYS 43 -11.358 -8.715 12.054 334 HE2 LYS 43 2HE LYS 43 -11.781 -9.854 14.125 335 HE3 LYS 43 1HE LYS 43 -10.205 -10.359 13.516 336 HZ1 LYS 43 3HZ LYS 43 -10.812 -8.536 15.770 337 HZ2 LYS 43 1HZ LYS 43 -9.285 -8.563 15.033 338 HZ3 LYS 43 2HZ LYS 43 -9.875 -9.955 15.780 339 H LYS 44 H LYS 44 -8.741 -3.439 11.082 340 HA LYS 44 HA LYS 44 -7.165 -2.003 11.847 341 HB2 LYS 44 2HB LYS 44 -7.438 -3.528 14.443 342 HB3 LYS 44 1HB LYS 44 -6.475 -2.070 14.244 343 HG2 LYS 44 2HG LYS 44 -8.518 -0.838 13.626 344 HG3 LYS 44 1HG LYS 44 -9.460 -2.304 13.906 345 HD2 LYS 44 2HD LYS 44 -8.709 -2.329 16.243 346 HD3 LYS 44 1HD LYS 44 -7.789 -0.852 15.960 347 HE2 LYS 44 2HE LYS 44 -10.781 -1.183 15.787 348 HE3 LYS 44 1HE LYS 44 -9.888 -0.317 17.035 349 HZ1 LYS 44 3HZ LYS 44 -10.751 1.261 15.499 350 HZ2 LYS 44 1HZ LYS 44 -10.126 0.416 14.171 351 HZ3 LYS 44 2HZ LYS 44 -9.075 1.187 15.256 352 H LEU 45 H LEU 45 -6.664 -4.923 10.934 353 HA LEU 45 HA LEU 45 -3.865 -5.119 11.813 354 HB2 LEU 45 2HB LEU 45 -5.654 -7.223 10.592 355 HB3 LEU 45 1HB LEU 45 -3.984 -7.467 11.063 356 HG LEU 45 HG LEU 45 -6.230 -6.779 12.959 357 HD11 LEU 45 1HD1 LEU 45 -4.818 -9.392 12.452 358 HD12 LEU 45 2HD1 LEU 45 -6.483 -9.012 12.023 359 HD13 LEU 45 3HD1 LEU 45 -6.007 -9.092 13.717 360 HD21 LEU 45 3HD2 LEU 45 -4.066 -5.960 13.731 361 HD22 LEU 45 1HD2 LEU 45 -3.353 -7.551 13.465 362 HD23 LEU 45 2HD2 LEU 45 -4.589 -7.336 14.703 363 H SER 46 H SER 46 -2.227 -5.189 10.324 364 HA SER 46 HA SER 46 -2.939 -4.343 7.630 365 HB2 SER 46 2HB SER 46 -0.418 -3.989 7.462 366 HB3 SER 46 1HB SER 46 -1.277 -2.972 8.617 367 HG SER 46 HG SER 46 0.687 -4.790 9.052 368 H VAL 47 H VAL 47 -2.950 -5.656 5.966 369 HA VAL 47 HA VAL 47 -1.775 -8.332 6.279 370 HB VAL 47 HB VAL 47 -3.912 -7.396 4.349 371 HG11 VAL 47 1HG1 VAL 47 -2.571 -9.223 3.435 372 HG12 VAL 47 2HG1 VAL 47 -4.202 -9.764 3.821 373 HG13 VAL 47 3HG1 VAL 47 -2.861 -10.175 4.889 374 HG21 VAL 47 3HG2 VAL 47 -4.672 -7.472 6.687 375 HG22 VAL 47 1HG2 VAL 47 -4.160 -9.158 6.787 376 HG23 VAL 47 2HG2 VAL 47 -5.459 -8.693 5.686 377 H CYS 48 H CYS 48 -0.215 -9.002 4.881 378 HA CYS 48 HA CYS 48 0.948 -6.956 3.212 379 HB2 CYS 48 2HB CYS 48 1.910 -9.751 3.840 380 HB3 CYS 48 1HB CYS 48 2.825 -8.520 2.971 381 H ALA 49 H ALA 49 -0.588 -6.809 1.632 382 HA ALA 49 HA ALA 49 -1.411 -9.045 0.062 383 HB1 ALA 49 1HB ALA 49 -2.790 -7.036 0.336 384 HB2 ALA 49 2HB ALA 49 -2.464 -7.384 -1.361 385 HB3 ALA 49 3HB ALA 49 -1.582 -6.093 -0.540 386 H ASN 50 H ASN 50 -0.832 -9.441 -2.111 387 HA ASN 50 HA ASN 50 2.025 -9.180 -2.395 388 HB2 ASN 50 2HB ASN 50 0.346 -10.537 -4.467 389 HB3 ASN 50 1HB ASN 50 1.948 -10.961 -3.872 390 HD21 ASN 50 1HD2 ASN 50 0.726 -10.650 -1.016 391 HD22 ASN 50 2HD2 ASN 50 -0.016 -12.202 -0.802 392 HA PRO 51 HA PRO 51 1.619 -6.242 -5.720 393 HB2 PRO 51 2HB PRO 51 4.303 -6.632 -6.562 394 HB3 PRO 51 1HB PRO 51 3.668 -5.338 -5.547 395 HG2 PRO 51 2HG PRO 51 5.411 -7.318 -4.699 396 HG3 PRO 51 1HG PRO 51 4.390 -6.335 -3.638 397 HD2 PRO 51 2HD PRO 51 3.969 -9.120 -4.630 398 HD3 PRO 51 1HD PRO 51 3.578 -8.400 -3.046 399 H LYS 52 H LYS 52 0.901 -9.076 -6.368 400 HA LYS 52 HA LYS 52 1.834 -9.139 -9.166 401 HB2 LYS 52 2HB LYS 52 1.723 -11.532 -7.324 402 HB3 LYS 52 1HB LYS 52 2.067 -11.596 -9.046 403 HG2 LYS 52 2HG LYS 52 4.066 -10.187 -8.658 404 HG3 LYS 52 1HG LYS 52 3.739 -10.262 -6.924 405 HD2 LYS 52 2HD LYS 52 5.407 -11.917 -7.511 406 HD3 LYS 52 1HD LYS 52 3.912 -12.727 -7.035 407 HE2 LYS 52 2HE LYS 52 3.327 -12.935 -9.439 408 HE3 LYS 52 1HE LYS 52 4.901 -12.251 -9.844 409 HZ1 LYS 52 3HZ LYS 52 5.962 -14.119 -8.733 410 HZ2 LYS 52 1HZ LYS 52 4.915 -14.665 -9.951 411 HZ3 LYS 52 2HZ LYS 52 4.444 -14.764 -8.327 412 H GLN 53 H GLN 53 -0.366 -10.930 -7.032 413 HA GLN 53 HA GLN 53 -2.170 -11.769 -8.972 414 HB2 GLN 53 2HB GLN 53 -3.700 -11.521 -6.676 415 HB3 GLN 53 1HB GLN 53 -2.780 -12.935 -7.171 416 HG2 GLN 53 2HG GLN 53 -2.289 -12.376 -4.878 417 HG3 GLN 53 1HG GLN 53 -0.867 -12.145 -5.870 418 HE21 GLN 53 1HE2 GLN 53 -3.000 -10.728 -3.677 419 HE22 GLN 53 2HE2 GLN 53 -2.389 -9.114 -3.753 420 H THR 54 H THR 54 -4.155 -11.065 -9.676 421 HA THR 54 HA THR 54 -4.215 -8.247 -10.082 422 HB THR 54 HB THR 54 -6.440 -8.934 -11.295 423 HG1 THR 54 1HG THR 54 -6.406 -11.108 -11.923 424 HG21 THR 54 3HG2 THR 54 -4.498 -8.127 -12.444 425 HG22 THR 54 1HG2 THR 54 -5.066 -9.583 -13.263 426 HG23 THR 54 2HG2 THR 54 -3.660 -9.662 -12.198 427 H TRP 55 H TRP 55 -5.898 -10.315 -7.840 428 HA TRP 55 HA TRP 55 -8.117 -8.644 -7.417 429 HB2 TRP 55 2HB TRP 55 -8.477 -9.760 -5.340 430 HB3 TRP 55 1HB TRP 55 -8.004 -10.937 -6.554 431 HD1 TRP 55 HD TRP 55 -5.688 -12.114 -6.186 432 HE1 TRP 55 1HE TRP 55 -4.148 -12.352 -4.215 433 HE3 TRP 55 3HE TRP 55 -7.635 -8.503 -3.437 434 HZ2 TRP 55 2HZ TRP 55 -3.771 -11.081 -1.719 435 HZ3 TRP 55 3HZ TRP 55 -6.688 -8.021 -1.328 436 HH2 TRP 55 HH TRP 55 -4.816 -9.257 -0.409 437 H VAL 56 H VAL 56 -4.861 -8.540 -6.253 438 HA VAL 56 HA VAL 56 -5.234 -6.403 -4.435 439 HB VAL 56 HB VAL 56 -3.006 -7.916 -5.514 440 HG11 VAL 56 1HG1 VAL 56 -1.273 -6.221 -5.207 441 HG12 VAL 56 2HG1 VAL 56 -2.522 -4.988 -5.005 442 HG13 VAL 56 3HG1 VAL 56 -2.350 -5.828 -6.546 443 HG21 VAL 56 3HG2 VAL 56 -3.466 -6.348 -2.992 444 HG22 VAL 56 1HG2 VAL 56 -2.085 -7.407 -3.283 445 HG23 VAL 56 2HG2 VAL 56 -3.715 -8.077 -3.240 446 H LYS 57 H LYS 57 -4.248 -6.608 -7.813 447 HA LYS 57 HA LYS 57 -3.777 -3.865 -8.187 448 HB2 LYS 57 2HB LYS 57 -4.572 -5.924 -10.256 449 HB3 LYS 57 1HB LYS 57 -3.809 -4.373 -10.579 450 HG2 LYS 57 2HG LYS 57 -1.842 -5.108 -9.276 451 HG3 LYS 57 1HG LYS 57 -2.607 -6.683 -9.069 452 HD2 LYS 57 2HD LYS 57 -2.623 -6.980 -11.504 453 HD3 LYS 57 1HD LYS 57 -1.830 -5.414 -11.697 454 HE2 LYS 57 2HE LYS 57 0.055 -6.274 -10.315 455 HE3 LYS 57 1HE LYS 57 -0.727 -7.855 -10.306 456 HZ1 LYS 57 3HZ LYS 57 0.356 -6.394 -12.652 457 HZ2 LYS 57 1HZ LYS 57 -0.601 -7.792 -12.783 458 HZ3 LYS 57 2HZ LYS 57 0.904 -7.863 -12.007 459 H TYR 58 H TYR 58 -6.680 -5.750 -8.161 460 HA TYR 58 HA TYR 58 -8.354 -3.764 -9.332 461 HB2 TYR 58 2HB TYR 58 -9.269 -5.898 -9.422 462 HB3 TYR 58 1HB TYR 58 -8.789 -6.290 -7.776 463 HD1 TYR 58 1HD TYR 58 -10.986 -3.786 -9.501 464 HD2 TYR 58 2HD TYR 58 -10.493 -6.490 -6.257 465 HE1 TYR 58 1HE TYR 58 -13.250 -3.256 -8.718 466 HE2 TYR 58 2HE TYR 58 -12.757 -5.966 -5.470 467 HH TYR 58 HH TYR 58 -15.012 -4.194 -7.367 468 H ILE 59 H ILE 59 -7.672 -4.767 -5.968 469 HA ILE 59 HA ILE 59 -9.364 -2.842 -4.781 470 HB ILE 59 HB ILE 59 -6.956 -4.203 -3.565 471 HG12 ILE 59 2HG1 ILE 59 -9.882 -4.932 -3.324 472 HG13 ILE 59 1HG1 ILE 59 -8.765 -5.716 -4.431 473 HG21 ILE 59 1HG2 ILE 59 -9.273 -2.752 -2.278 474 HG22 ILE 59 2HG2 ILE 59 -7.588 -2.229 -2.303 475 HG23 ILE 59 3HG2 ILE 59 -8.048 -3.681 -1.413 476 HD11 ILE 59 3HD1 ILE 59 -9.104 -7.004 -2.389 477 HD12 ILE 59 1HD1 ILE 59 -8.483 -5.650 -1.443 478 HD13 ILE 59 2HD1 ILE 59 -7.425 -6.494 -2.577 479 H VAL 60 H VAL 60 -5.839 -2.855 -5.357 480 HA VAL 60 HA VAL 60 -5.390 -0.318 -4.183 481 HB VAL 60 HB VAL 60 -3.556 -1.932 -4.506 482 HG11 VAL 60 1HG1 VAL 60 -2.526 -2.224 -6.700 483 HG12 VAL 60 2HG1 VAL 60 -3.789 -1.240 -7.437 484 HG13 VAL 60 3HG1 VAL 60 -4.196 -2.792 -6.709 485 HG21 VAL 60 3HG2 VAL 60 -3.037 0.425 -4.196 486 HG22 VAL 60 1HG2 VAL 60 -3.117 0.684 -5.939 487 HG23 VAL 60 2HG2 VAL 60 -1.860 -0.348 -5.258 488 H ARG 61 H ARG 61 -6.362 -1.305 -7.404 489 HA ARG 61 HA ARG 61 -6.029 1.170 -8.713 490 HB2 ARG 61 2HB ARG 61 -6.615 -1.073 -9.753 491 HB3 ARG 61 1HB ARG 61 -8.261 -0.801 -9.203 492 HG2 ARG 61 2HG ARG 61 -8.350 1.260 -10.545 493 HG3 ARG 61 1HG ARG 61 -6.721 0.919 -11.136 494 HD2 ARG 61 2HD ARG 61 -9.205 -0.735 -11.561 495 HD3 ARG 61 1HD ARG 61 -8.295 0.161 -12.776 496 HE ARG 61 HE ARG 61 -6.582 -1.688 -11.561 497 HH11 ARG 61 1HH1 ARG 61 -9.338 -1.608 -13.736 498 HH12 ARG 61 2HH1 ARG 61 -8.952 -3.147 -14.460 499 HH21 ARG 61 1HH2 ARG 61 -6.121 -3.724 -12.507 500 HH22 ARG 61 2HH2 ARG 61 -7.151 -4.331 -13.763 501 H LEU 62 H LEU 62 -8.705 -0.214 -6.858 502 HA LEU 62 HA LEU 62 -10.455 1.982 -7.138 503 HB2 LEU 62 2HB LEU 62 -10.278 -0.190 -5.057 504 HB3 LEU 62 1HB LEU 62 -11.531 1.036 -5.041 505 HG LEU 62 HG LEU 62 -11.060 -1.007 -7.212 506 HD11 LEU 62 1HD1 LEU 62 -13.262 -0.724 -5.179 507 HD12 LEU 62 2HD1 LEU 62 -11.993 -1.947 -5.170 508 HD13 LEU 62 3HD1 LEU 62 -13.190 -1.930 -6.464 509 HD21 LEU 62 3HD2 LEU 62 -11.909 1.105 -8.126 510 HD22 LEU 62 1HD2 LEU 62 -13.232 1.071 -6.963 511 HD23 LEU 62 2HD2 LEU 62 -13.119 -0.174 -8.205 512 H LEU 63 H LEU 63 -8.088 1.145 -4.640 513 HA LEU 63 HA LEU 63 -8.512 3.314 -2.948 514 HB2 LEU 63 2HB LEU 63 -6.250 1.499 -3.503 515 HB3 LEU 63 1HB LEU 63 -5.874 2.997 -2.675 516 HG LEU 63 HG LEU 63 -6.210 1.219 -1.071 517 HD11 LEU 63 1HD1 LEU 63 -8.495 3.180 -1.049 518 HD12 LEU 63 2HD1 LEU 63 -6.876 3.451 -0.402 519 HD13 LEU 63 3HD1 LEU 63 -7.928 2.240 0.330 520 HD21 LEU 63 3HD2 LEU 63 -8.343 0.099 -0.792 521 HD22 LEU 63 1HD2 LEU 63 -7.687 -0.209 -2.399 522 HD23 LEU 63 2HD2 LEU 63 -8.995 0.956 -2.188 523 H SER 64 H SER 64 -6.323 3.032 -5.725 524 HA SER 64 HA SER 64 -5.225 5.627 -5.456 525 HB2 SER 64 2HB SER 64 -5.352 3.883 -7.924 526 HB3 SER 64 1HB SER 64 -4.248 5.228 -7.651 527 HG SER 64 HG SER 64 -4.296 2.686 -6.431 528 H LYS 65 H LYS 65 -8.245 4.586 -6.693 529 HA LYS 65 HA LYS 65 -8.520 7.065 -8.241 530 HB2 LYS 65 2HB LYS 65 -10.088 4.492 -8.407 531 HB3 LYS 65 1HB LYS 65 -10.472 5.946 -9.318 532 HG2 LYS 65 2HG LYS 65 -7.862 4.459 -9.512 533 HG3 LYS 65 1HG LYS 65 -9.223 4.249 -10.617 534 HD2 LYS 65 2HD LYS 65 -7.768 6.855 -10.128 535 HD3 LYS 65 1HD LYS 65 -7.482 5.776 -11.494 536 HE2 LYS 65 2HE LYS 65 -9.834 6.049 -12.176 537 HE3 LYS 65 1HE LYS 65 -10.071 7.173 -10.838 538 HZ1 LYS 65 3HZ LYS 65 -9.687 8.353 -12.899 539 HZ2 LYS 65 1HZ LYS 65 -8.207 7.552 -13.122 540 HZ3 LYS 65 2HZ LYS 65 -8.400 8.627 -11.833 541 H LYS 66 H LYS 66 -9.172 6.001 -5.261 542 HA LYS 66 HA LYS 66 -11.671 7.558 -5.117 543 HB2 LYS 66 2HB LYS 66 -11.825 5.063 -4.579 544 HB3 LYS 66 1HB LYS 66 -10.902 5.428 -3.127 545 HG2 LYS 66 2HG LYS 66 -12.641 6.952 -2.375 546 HG3 LYS 66 1HG LYS 66 -13.560 6.650 -3.850 547 HD2 LYS 66 2HD LYS 66 -13.716 4.264 -3.211 548 HD3 LYS 66 1HD LYS 66 -12.899 4.650 -1.691 549 HE2 LYS 66 2HE LYS 66 -14.708 6.197 -1.110 550 HE3 LYS 66 1HE LYS 66 -15.520 5.827 -2.630 551 HZ1 LYS 66 3HZ LYS 66 -15.043 3.981 -0.359 552 HZ2 LYS 66 1HZ LYS 66 -15.650 3.487 -1.865 553 HZ3 LYS 66 2HZ LYS 66 -16.530 4.567 -0.906 554 H VAL 67 H VAL 67 -8.469 7.595 -4.404 555 HA VAL 67 HA VAL 67 -8.492 8.782 -1.822 556 HB VAL 67 HB VAL 67 -6.179 9.613 -2.442 557 HG11 VAL 67 1HG1 VAL 67 -5.178 7.397 -2.313 558 HG12 VAL 67 2HG1 VAL 67 -6.714 6.663 -2.776 559 HG13 VAL 67 3HG1 VAL 67 -6.572 7.517 -1.239 560 HG21 VAL 67 3HG2 VAL 67 -5.136 8.773 -4.443 561 HG22 VAL 67 1HG2 VAL 67 -6.569 9.701 -4.884 562 HG23 VAL 67 2HG2 VAL 67 -6.617 7.936 -4.911 563 H LYS 68 H LYS 68 -8.654 10.861 -1.203 564 HA LYS 68 HA LYS 68 -9.610 12.751 -3.172 565 HB2 LYS 68 2HB LYS 68 -9.419 12.802 -0.169 566 HB3 LYS 68 1HB LYS 68 -9.814 14.249 -1.088 567 HG2 LYS 68 2HG LYS 68 -11.362 11.674 -1.266 568 HG3 LYS 68 1HG LYS 68 -11.778 13.007 -0.184 569 HD2 LYS 68 2HD LYS 68 -11.351 13.799 -2.975 570 HD3 LYS 68 1HD LYS 68 -12.710 12.700 -2.733 571 HE2 LYS 68 2HE LYS 68 -13.469 14.997 -2.600 572 HE3 LYS 68 1HE LYS 68 -13.616 14.218 -1.028 573 HZ1 LYS 68 3HZ LYS 68 -11.478 15.309 -0.418 574 HZ2 LYS 68 1HZ LYS 68 -12.748 16.393 -0.715 575 HZ3 LYS 68 2HZ LYS 68 -11.537 16.163 -1.885 576 H ASN 69 H ASN 69 -7.798 13.230 -4.392 577 HA ASN 69 HA ASN 69 -5.593 14.595 -3.074 578 HB2 ASN 69 2HB ASN 69 -4.626 14.812 -5.315 579 HB3 ASN 69 1HB ASN 69 -5.108 13.147 -5.018 580 HD21 ASN 69 1HD2 ASN 69 -5.658 15.994 -6.875 581 HD22 ASN 69 2HD2 ASN 69 -6.755 15.289 -8.011 582 H MET 70 H MET 70 -8.652 15.283 -3.903 583 HA MET 70 HA MET 70 -8.105 18.159 -3.987 584 HB2 MET 70 2HB MET 70 -10.167 16.659 -5.618 585 HB3 MET 70 1HB MET 70 -10.151 18.407 -5.432 586 HG2 MET 70 2HG MET 70 -7.982 18.519 -6.515 587 HG3 MET 70 1HG MET 70 -7.939 16.764 -6.651 588 HE1 MET 70 3HE MET 70 -9.605 15.362 -8.150 589 HE2 MET 70 1HE MET 70 -10.837 16.067 -9.197 590 HE3 MET 70 2HE MET 70 -11.021 16.137 -7.440 Start of MODEL 10 1 H1 ALA 1 1HT ALA 1 15.554 7.963 6.966 2 H2 ALA 1 2HT ALA 1 17.221 8.255 6.908 3 H3 ALA 1 3HT ALA 1 16.640 6.762 7.464 4 HA ALA 1 HA ALA 1 16.471 7.835 4.707 5 HB1 ALA 1 1HB ALA 1 17.843 5.896 4.122 6 HB2 ALA 1 2HB ALA 1 17.922 5.439 5.823 7 HB3 ALA 1 3HB ALA 1 18.663 6.945 5.280 8 H SER 2 H SER 2 16.061 4.680 6.388 9 HA SER 2 HA SER 2 13.992 3.913 4.579 10 HB2 SER 2 2HB SER 2 14.748 2.695 7.248 11 HB3 SER 2 1HB SER 2 13.737 1.943 6.012 12 HG SER 2 HG SER 2 15.722 1.145 5.619 13 H ASN 3 H ASN 3 12.147 4.998 4.573 14 HA ASN 3 HA ASN 3 10.938 6.309 6.741 15 HB2 ASN 3 2HB ASN 3 10.356 6.850 4.443 16 HB3 ASN 3 1HB ASN 3 9.742 5.221 4.182 17 HD21 ASN 3 1HD2 ASN 3 7.728 5.977 3.573 18 HD22 ASN 3 2HD2 ASN 3 6.606 6.625 4.729 19 H PHE 4 H PHE 4 10.129 3.222 5.224 20 HA PHE 4 HA PHE 4 9.172 2.273 7.828 21 HB2 PHE 4 2HB PHE 4 7.389 0.994 6.575 22 HB3 PHE 4 1HB PHE 4 7.176 2.734 6.633 23 HD1 PHE 4 2HD PHE 4 9.143 0.485 4.398 24 HD2 PHE 4 1HD PHE 4 6.148 3.486 4.743 25 HE1 PHE 4 2HE PHE 4 8.948 0.557 1.953 26 HE2 PHE 4 1HE PHE 4 5.937 3.559 2.292 27 HZ PHE 4 HZ PHE 4 7.340 2.088 0.893 28 H ASP 5 H ASP 5 8.774 -0.251 7.555 29 HA ASP 5 HA ASP 5 10.953 -1.339 5.917 30 HB2 ASP 5 2HB ASP 5 11.252 -3.125 7.544 31 HB3 ASP 5 1HB ASP 5 11.455 -1.558 8.312 32 H CYS 6 H CYS 6 10.018 -2.112 4.164 33 HA CYS 6 HA CYS 6 7.763 -3.317 3.564 34 HB2 CYS 6 2HB CYS 6 8.968 -4.742 2.014 35 HB3 CYS 6 1HB CYS 6 9.717 -3.152 2.075 36 H CYS 7 H CYS 7 6.698 -5.199 3.818 37 HA CYS 7 HA CYS 7 6.823 -6.545 6.241 38 HB2 CYS 7 2HB CYS 7 5.657 -7.459 3.609 39 HB3 CYS 7 1HB CYS 7 5.305 -8.183 5.173 40 H LEU 8 H LEU 8 7.697 -8.448 6.912 41 HA LEU 8 HA LEU 8 9.854 -9.571 5.345 42 HB2 LEU 8 2HB LEU 8 8.740 -10.401 8.033 43 HB3 LEU 8 1HB LEU 8 10.197 -11.041 7.297 44 HG LEU 8 HG LEU 8 9.783 -8.183 8.192 45 HD11 LEU 8 1HD1 LEU 8 11.523 -10.374 9.317 46 HD12 LEU 8 2HD1 LEU 8 10.024 -9.788 10.034 47 HD13 LEU 8 3HD1 LEU 8 11.419 -8.716 9.909 48 HD21 LEU 8 3HD2 LEU 8 11.230 -8.327 6.225 49 HD22 LEU 8 1HD2 LEU 8 12.219 -9.541 7.037 50 HD23 LEU 8 2HD2 LEU 8 12.152 -7.895 7.666 51 H GLY 9 H GLY 9 6.763 -9.821 4.914 52 HA2 GLY 9 2HA GLY 9 6.863 -12.284 3.536 53 HA3 GLY 9 1HA GLY 9 5.964 -12.465 5.038 54 H TYR 10 H TYR 10 4.764 -12.837 2.581 55 HA TYR 10 HA TYR 10 3.036 -10.457 2.352 56 HB2 TYR 10 2HB TYR 10 3.652 -12.536 0.236 57 HB3 TYR 10 1HB TYR 10 2.509 -11.219 0.059 58 HD1 TYR 10 2HD TYR 10 6.114 -11.888 0.692 59 HD2 TYR 10 1HD TYR 10 3.213 -9.169 -0.856 60 HE1 TYR 10 2HE TYR 10 7.909 -10.480 -0.209 61 HE2 TYR 10 1HE TYR 10 5.011 -7.766 -1.760 62 HH TYR 10 HH TYR 10 8.193 -8.813 -2.034 63 H THR 11 H THR 11 0.835 -11.260 1.263 64 HA THR 11 HA THR 11 -0.210 -13.363 3.005 65 HB THR 11 HB THR 11 -1.388 -11.148 2.851 66 HG1 THR 11 1HG THR 11 -2.522 -13.108 3.435 67 HG21 THR 11 3HG2 THR 11 -2.135 -12.092 0.084 68 HG22 THR 11 1HG2 THR 11 -1.026 -10.766 0.442 69 HG23 THR 11 2HG2 THR 11 -2.726 -10.642 0.893 70 H ASP 12 H ASP 12 -2.186 -14.539 1.731 71 HA ASP 12 HA ASP 12 -1.304 -15.388 -0.919 72 HB2 ASP 12 2HB ASP 12 -1.301 -17.739 -0.342 73 HB3 ASP 12 1HB ASP 12 -0.192 -16.894 0.732 74 H ARG 13 H ARG 13 -3.609 -13.914 0.253 75 HA ARG 13 HA ARG 13 -5.803 -15.826 -0.196 76 HB2 ARG 13 2HB ARG 13 -5.734 -13.251 1.368 77 HB3 ARG 13 1HB ARG 13 -7.208 -14.153 1.026 78 HG2 ARG 13 2HG ARG 13 -6.076 -16.155 2.124 79 HG3 ARG 13 1HG ARG 13 -4.877 -15.006 2.716 80 HD2 ARG 13 2HD ARG 13 -6.410 -13.916 4.078 81 HD3 ARG 13 1HD ARG 13 -7.798 -14.530 3.175 82 HE ARG 13 HE ARG 13 -6.907 -16.800 4.113 83 HH11 ARG 13 1HH1 ARG 13 -7.064 -13.736 5.825 84 HH12 ARG 13 2HH1 ARG 13 -7.232 -14.485 7.384 85 HH21 ARG 13 1HH2 ARG 13 -7.126 -17.756 6.153 86 HH22 ARG 13 2HH2 ARG 13 -7.256 -16.755 7.567 87 H ILE 14 H ILE 14 -7.883 -14.527 -0.666 88 HA ILE 14 HA ILE 14 -7.424 -12.426 -2.677 89 HB ILE 14 HB ILE 14 -9.842 -14.238 -2.403 90 HG12 ILE 14 2HG1 ILE 14 -7.619 -15.255 -3.277 91 HG13 ILE 14 1HG1 ILE 14 -9.094 -15.531 -4.199 92 HG21 ILE 14 1HG2 ILE 14 -9.124 -12.194 -4.490 93 HG22 ILE 14 2HG2 ILE 14 -10.414 -12.068 -3.294 94 HG23 ILE 14 3HG2 ILE 14 -10.509 -13.283 -4.570 95 HD11 ILE 14 3HD1 ILE 14 -7.222 -14.975 -5.646 96 HD12 ILE 14 1HD1 ILE 14 -7.017 -13.442 -4.794 97 HD13 ILE 14 2HD1 ILE 14 -8.488 -13.744 -5.723 98 H LEU 15 H LEU 15 -7.282 -10.968 -0.772 99 HA LEU 15 HA LEU 15 -9.593 -10.707 0.929 100 HB2 LEU 15 2HB LEU 15 -7.207 -8.887 0.560 101 HB3 LEU 15 1HB LEU 15 -8.495 -8.598 1.711 102 HG LEU 15 HG LEU 15 -6.770 -9.500 2.980 103 HD11 LEU 15 1HD1 LEU 15 -8.892 -10.555 3.475 104 HD12 LEU 15 2HD1 LEU 15 -7.559 -11.684 3.718 105 HD13 LEU 15 3HD1 LEU 15 -8.568 -11.807 2.277 106 HD21 LEU 15 3HD2 LEU 15 -5.509 -11.499 2.408 107 HD22 LEU 15 1HD2 LEU 15 -5.335 -10.260 1.170 108 HD23 LEU 15 2HD2 LEU 15 -6.396 -11.640 0.889 109 H HIS 16 H HIS 16 -10.883 -8.664 0.967 110 HA HIS 16 HA HIS 16 -11.059 -7.518 -1.745 111 HB2 HIS 16 2HB HIS 16 -13.396 -8.438 -0.068 112 HB3 HIS 16 1HB HIS 16 -13.501 -7.627 -1.625 113 HD1 HIS 16 1HD HIS 16 -14.723 -10.374 -1.057 114 HD2 HIS 16 2HD HIS 16 -11.001 -9.795 -2.807 115 HE1 HIS 16 1HE HIS 16 -14.308 -12.394 -2.389 116 HE2 HIS 16 2HE HIS 16 -12.204 -11.933 -3.674 117 HA PRO 17 HA PRO 17 -12.103 -3.564 0.206 118 HB2 PRO 17 2HB PRO 17 -14.694 -3.208 -0.809 119 HB3 PRO 17 1HB PRO 17 -13.209 -2.622 -1.564 120 HG2 PRO 17 2HG PRO 17 -14.808 -5.064 -2.170 121 HG3 PRO 17 1HG PRO 17 -13.914 -4.002 -3.273 122 HD2 PRO 17 2HD PRO 17 -12.971 -6.415 -2.559 123 HD3 PRO 17 1HD PRO 17 -11.884 -5.022 -2.803 124 H LYS 18 H LYS 18 -14.247 -6.265 0.036 125 HA LYS 18 HA LYS 18 -16.093 -6.034 2.014 126 HB2 LYS 18 2HB LYS 18 -14.354 -8.402 1.289 127 HB3 LYS 18 1HB LYS 18 -15.750 -8.547 2.330 128 HG2 LYS 18 2HG LYS 18 -17.129 -7.672 0.405 129 HG3 LYS 18 1HG LYS 18 -15.685 -7.854 -0.590 130 HD2 LYS 18 2HD LYS 18 -15.593 -10.223 -0.021 131 HD3 LYS 18 1HD LYS 18 -17.021 -10.042 0.998 132 HE2 LYS 18 2HE LYS 18 -16.939 -9.522 -1.973 133 HE3 LYS 18 1HE LYS 18 -17.516 -11.010 -1.224 134 HZ1 LYS 18 3HZ LYS 18 -18.697 -8.296 -0.960 135 HZ2 LYS 18 1HZ LYS 18 -19.185 -9.641 -0.038 136 HZ3 LYS 18 2HZ LYS 18 -19.376 -9.647 -1.725 137 H PHE 19 H PHE 19 -12.618 -6.503 2.427 138 HA PHE 19 HA PHE 19 -13.016 -6.511 5.350 139 HB2 PHE 19 2HB PHE 19 -10.864 -8.005 3.841 140 HB3 PHE 19 1HB PHE 19 -11.134 -8.041 5.578 141 HD1 PHE 19 1HD PHE 19 -13.094 -9.213 6.498 142 HD2 PHE 19 2HD PHE 19 -12.153 -9.328 2.347 143 HE1 PHE 19 1HE PHE 19 -14.592 -11.143 6.214 144 HE2 PHE 19 2HE PHE 19 -13.652 -11.258 2.055 145 HZ PHE 19 HZ PHE 19 -14.875 -12.166 3.992 146 H ILE 20 H ILE 20 -11.820 -4.764 2.833 147 HA ILE 20 HA ILE 20 -9.399 -3.905 4.263 148 HB ILE 20 HB ILE 20 -10.160 -3.786 1.353 149 HG12 ILE 20 2HG1 ILE 20 -7.479 -4.592 2.365 150 HG13 ILE 20 1HG1 ILE 20 -8.827 -5.687 2.680 151 HG21 ILE 20 1HG2 ILE 20 -9.310 -1.563 1.946 152 HG22 ILE 20 2HG2 ILE 20 -8.187 -2.434 0.902 153 HG23 ILE 20 3HG2 ILE 20 -7.863 -2.306 2.631 154 HD11 ILE 20 3HD1 ILE 20 -7.910 -4.694 -0.003 155 HD12 ILE 20 1HD1 ILE 20 -9.268 -5.781 0.279 156 HD13 ILE 20 2HD1 ILE 20 -7.628 -6.297 0.672 157 H VAL 21 H VAL 21 -9.625 -2.175 5.462 158 HA VAL 21 HA VAL 21 -11.472 -0.053 4.590 159 HB VAL 21 HB VAL 21 -11.528 0.688 6.943 160 HG11 VAL 21 1HG1 VAL 21 -12.291 -2.205 6.538 161 HG12 VAL 21 2HG1 VAL 21 -13.263 -0.798 6.107 162 HG13 VAL 21 3HG1 VAL 21 -12.918 -1.144 7.800 163 HG21 VAL 21 3HG2 VAL 21 -9.350 -0.164 7.649 164 HG22 VAL 21 1HG2 VAL 21 -9.939 -1.820 7.499 165 HG23 VAL 21 2HG2 VAL 21 -10.630 -0.744 8.714 166 H GLY 22 H GLY 22 -8.274 -0.859 4.722 167 HA2 GLY 22 2HA GLY 22 -7.464 1.916 4.386 168 HA3 GLY 22 1HA GLY 22 -6.694 1.031 5.698 169 H PHE 23 H PHE 23 -5.271 2.109 3.524 170 HA PHE 23 HA PHE 23 -4.030 -0.286 2.414 171 HB2 PHE 23 2HB PHE 23 -5.535 -0.113 0.716 172 HB3 PHE 23 1HB PHE 23 -5.720 1.627 0.891 173 HD1 PHE 23 1HD PHE 23 -3.776 -1.057 -0.578 174 HD2 PHE 23 2HD PHE 23 -4.200 3.133 -0.121 175 HE1 PHE 23 1HE PHE 23 -2.248 -0.714 -2.459 176 HE2 PHE 23 2HE PHE 23 -2.667 3.497 -2.027 177 HZ PHE 23 HZ PHE 23 -1.713 1.548 -3.167 178 H THR 24 H THR 24 -1.948 -0.001 2.134 179 HA THR 24 HA THR 24 -0.849 2.676 1.753 180 HB THR 24 HB THR 24 0.219 0.795 3.866 181 HG1 THR 24 1HG THR 24 -1.124 3.300 4.165 182 HG21 THR 24 3HG2 THR 24 1.941 2.171 2.754 183 HG22 THR 24 1HG2 THR 24 1.719 2.631 4.442 184 HG23 THR 24 2HG2 THR 24 1.026 3.623 3.159 185 H ARG 25 H ARG 25 0.003 2.313 -0.249 186 HA ARG 25 HA ARG 25 1.188 -0.199 -0.919 187 HB2 ARG 25 2HB ARG 25 1.867 0.924 -3.042 188 HB3 ARG 25 1HB ARG 25 0.144 0.995 -2.700 189 HG2 ARG 25 2HG ARG 25 0.227 3.280 -2.166 190 HG3 ARG 25 1HG ARG 25 1.987 3.271 -2.027 191 HD2 ARG 25 2HD ARG 25 1.064 4.329 -4.121 192 HD3 ARG 25 1HD ARG 25 2.254 3.056 -4.380 193 HE ARG 25 HE ARG 25 -0.294 1.904 -4.436 194 HH11 ARG 25 1HH1 ARG 25 1.606 4.160 -6.330 195 HH12 ARG 25 2HH1 ARG 25 0.877 3.683 -7.837 196 HH21 ARG 25 1HH2 ARG 25 -1.261 1.310 -6.435 197 HH22 ARG 25 2HH2 ARG 25 -0.724 2.072 -7.898 198 H GLN 26 H GLN 26 2.925 -0.786 0.101 199 HA GLN 26 HA GLN 26 4.985 1.101 0.864 200 HB2 GLN 26 2HB GLN 26 4.433 -0.360 2.566 201 HB3 GLN 26 1HB GLN 26 4.206 -1.715 1.478 202 HG2 GLN 26 2HG GLN 26 6.695 -1.730 1.183 203 HG3 GLN 26 1HG GLN 26 6.767 -0.564 2.512 204 HE21 GLN 26 1HE2 GLN 26 6.077 -1.200 4.571 205 HE22 GLN 26 2HE2 GLN 26 5.942 -2.865 5.004 206 H LEU 27 H LEU 27 6.902 1.314 -0.193 207 HA LEU 27 HA LEU 27 7.158 -0.293 -2.643 208 HB2 LEU 27 2HB LEU 27 7.864 2.556 -2.034 209 HB3 LEU 27 1HB LEU 27 8.663 1.705 -3.338 210 HG LEU 27 HG LEU 27 6.304 1.243 -4.246 211 HD11 LEU 27 1HD1 LEU 27 4.589 2.822 -3.618 212 HD12 LEU 27 2HD1 LEU 27 5.654 3.540 -2.410 213 HD13 LEU 27 3HD1 LEU 27 5.091 1.879 -2.215 214 HD21 LEU 27 3HD2 LEU 27 7.895 2.773 -5.275 215 HD22 LEU 27 1HD2 LEU 27 7.375 4.061 -4.190 216 HD23 LEU 27 2HD2 LEU 27 6.251 3.403 -5.380 217 H ALA 28 H ALA 28 9.454 -0.221 -3.540 218 HA ALA 28 HA ALA 28 11.261 -1.208 -1.452 219 HB1 ALA 28 1HB ALA 28 11.439 -1.477 -4.457 220 HB2 ALA 28 2HB ALA 28 10.748 -2.681 -3.370 221 HB3 ALA 28 3HB ALA 28 12.463 -2.285 -3.267 222 H ASN 29 H ASN 29 10.666 1.661 -2.304 223 HA ASN 29 HA ASN 29 13.388 2.469 -3.092 224 HB2 ASN 29 2HB ASN 29 10.716 3.725 -3.754 225 HB3 ASN 29 1HB ASN 29 12.272 4.469 -4.118 226 HD21 ASN 29 1HD2 ASN 29 9.938 3.191 -5.711 227 HD22 ASN 29 2HD2 ASN 29 10.768 2.235 -6.883 228 H GLU 30 H GLU 30 11.644 2.253 -0.454 229 HA GLU 30 HA GLU 30 12.386 4.921 0.560 230 HB2 GLU 30 2HB GLU 30 10.021 3.190 1.292 231 HB3 GLU 30 1HB GLU 30 10.505 4.616 2.203 232 HG2 GLU 30 2HG GLU 30 10.184 5.991 0.208 233 HG3 GLU 30 1HG GLU 30 9.671 4.561 -0.685 234 H GLY 31 H GLY 31 14.112 2.676 0.520 235 HA2 GLY 31 2HA GLY 31 15.754 2.364 2.285 236 HA3 GLY 31 1HA GLY 31 14.416 2.275 3.424 237 H CYS 32 H CYS 32 12.784 0.481 2.785 238 HA CYS 32 HA CYS 32 14.186 -1.997 2.799 239 HB2 CYS 32 2HB CYS 32 11.665 -1.155 3.563 240 HB3 CYS 32 1HB CYS 32 11.342 -2.162 2.152 241 H ASP 33 H ASP 33 14.217 -3.609 1.170 242 HA ASP 33 HA ASP 33 14.278 -2.357 -1.471 243 HB2 ASP 33 2HB ASP 33 15.762 -4.280 -2.064 244 HB3 ASP 33 1HB ASP 33 16.378 -3.248 -0.780 245 H ILE 34 H ILE 34 11.983 -4.040 0.043 246 HA ILE 34 HA ILE 34 11.128 -5.156 -2.538 247 HB ILE 34 HB ILE 34 10.131 -7.058 -1.632 248 HG12 ILE 34 2HG1 ILE 34 10.480 -5.917 1.153 249 HG13 ILE 34 1HG1 ILE 34 8.971 -5.922 0.247 250 HG21 ILE 34 1HG2 ILE 34 12.568 -7.235 -1.621 251 HG22 ILE 34 2HG2 ILE 34 11.849 -8.198 -0.328 252 HG23 ILE 34 3HG2 ILE 34 12.603 -6.645 0.042 253 HD11 ILE 34 3HD1 ILE 34 9.057 -7.702 1.918 254 HD12 ILE 34 1HD1 ILE 34 10.482 -8.371 1.127 255 HD13 ILE 34 2HD1 ILE 34 8.934 -8.350 0.281 256 H ASN 35 H ASN 35 8.750 -5.134 -2.839 257 HA ASN 35 HA ASN 35 7.555 -2.982 -1.239 258 HB2 ASN 35 2HB ASN 35 6.276 -2.341 -3.336 259 HB3 ASN 35 1HB ASN 35 7.992 -1.963 -3.326 260 HD21 ASN 35 1HD2 ASN 35 9.282 -2.797 -4.869 261 HD22 ASN 35 2HD2 ASN 35 8.742 -3.853 -6.136 262 H ALA 36 H ALA 36 5.815 -3.516 -0.169 263 HA ALA 36 HA ALA 36 4.123 -5.684 -1.248 264 HB1 ALA 36 1HB ALA 36 3.554 -6.282 1.055 265 HB2 ALA 36 2HB ALA 36 4.653 -5.034 1.646 266 HB3 ALA 36 3HB ALA 36 5.287 -6.420 0.757 267 H ILE 37 H ILE 37 1.961 -5.299 -1.398 268 HA ILE 37 HA ILE 37 1.056 -2.588 -0.975 269 HB ILE 37 HB ILE 37 -0.485 -4.998 -1.955 270 HG12 ILE 37 2HG1 ILE 37 1.397 -4.485 -3.435 271 HG13 ILE 37 1HG1 ILE 37 -0.123 -4.060 -4.213 272 HG21 ILE 37 1HG2 ILE 37 -1.920 -3.242 -1.071 273 HG22 ILE 37 2HG2 ILE 37 -2.078 -3.362 -2.825 274 HG23 ILE 37 3HG2 ILE 37 -1.126 -2.061 -2.111 275 HD11 ILE 37 3HD1 ILE 37 0.242 -1.729 -3.710 276 HD12 ILE 37 1HD1 ILE 37 1.620 -2.393 -4.588 277 HD13 ILE 37 2HD1 ILE 37 1.727 -2.126 -2.847 278 H ILE 38 H ILE 38 0.792 -2.161 1.183 279 HA ILE 38 HA ILE 38 -0.223 -4.148 2.982 280 HB ILE 38 HB ILE 38 0.233 -1.202 3.470 281 HG12 ILE 38 2HG1 ILE 38 2.011 -3.561 4.104 282 HG13 ILE 38 1HG1 ILE 38 2.274 -2.438 2.773 283 HG21 ILE 38 1HG2 ILE 38 0.293 -1.848 5.832 284 HG22 ILE 38 2HG2 ILE 38 -0.138 -3.498 5.382 285 HG23 ILE 38 3HG2 ILE 38 -1.274 -2.179 5.091 286 HD11 ILE 38 3HD1 ILE 38 3.702 -1.911 4.658 287 HD12 ILE 38 1HD1 ILE 38 2.292 -1.742 5.703 288 HD13 ILE 38 2HD1 ILE 38 2.544 -0.612 4.372 289 H PHE 39 H PHE 39 -2.306 -4.712 2.707 290 HA PHE 39 HA PHE 39 -4.320 -2.587 2.599 291 HB2 PHE 39 2HB PHE 39 -4.546 -5.590 2.328 292 HB3 PHE 39 1HB PHE 39 -5.944 -4.530 2.449 293 HD1 PHE 39 1HD PHE 39 -5.175 -2.277 0.715 294 HD2 PHE 39 2HD PHE 39 -4.597 -6.467 0.226 295 HE1 PHE 39 1HE PHE 39 -5.173 -1.991 -1.743 296 HE2 PHE 39 2HE PHE 39 -4.579 -6.193 -2.201 297 HZ PHE 39 HZ PHE 39 -4.864 -3.968 -3.182 298 H HIS 40 H HIS 40 -5.160 -1.876 4.424 299 HA HIS 40 HA HIS 40 -4.554 -3.317 6.891 300 HB2 HIS 40 2HB HIS 40 -5.884 -0.610 6.598 301 HB3 HIS 40 1HB HIS 40 -5.195 -1.300 8.063 302 HD1 HIS 40 1HD HIS 40 -2.827 -0.624 8.563 303 HD2 HIS 40 2HD HIS 40 -3.817 -0.119 4.553 304 HE1 HIS 40 1HE HIS 40 -0.856 0.524 7.488 305 HE2 HIS 40 2HE HIS 40 -1.610 1.068 5.168 306 H THR 41 H THR 41 -5.944 -4.858 7.360 307 HA THR 41 HA THR 41 -8.585 -4.899 6.306 308 HB THR 41 HB THR 41 -8.841 -6.951 7.751 309 HG1 THR 41 1HG THR 41 -6.032 -6.737 8.111 310 HG21 THR 41 3HG2 THR 41 -8.231 -7.086 5.398 311 HG22 THR 41 1HG2 THR 41 -7.357 -8.300 6.331 312 HG23 THR 41 2HG2 THR 41 -6.534 -6.831 5.807 313 H LYS 42 H LYS 42 -10.523 -5.242 7.613 314 HA LYS 42 HA LYS 42 -10.852 -3.248 9.581 315 HB2 LYS 42 2HB LYS 42 -13.116 -4.015 9.663 316 HB3 LYS 42 1HB LYS 42 -12.598 -4.007 7.992 317 HG2 LYS 42 2HG LYS 42 -12.183 -6.452 8.190 318 HG3 LYS 42 1HG LYS 42 -12.906 -6.383 9.799 319 HD2 LYS 42 2HD LYS 42 -14.907 -5.280 8.636 320 HD3 LYS 42 1HD LYS 42 -14.196 -5.887 7.139 321 HE2 LYS 42 2HE LYS 42 -15.829 -7.469 7.922 322 HE3 LYS 42 1HE LYS 42 -14.219 -8.167 8.104 323 HZ1 LYS 42 3HZ LYS 42 -14.255 -7.774 10.426 324 HZ2 LYS 42 1HZ LYS 42 -15.753 -8.473 10.046 325 HZ3 LYS 42 2HZ LYS 42 -15.639 -6.801 10.330 326 H LYS 43 H LYS 43 -9.216 -5.993 9.832 327 HA LYS 43 HA LYS 43 -10.011 -6.521 12.586 328 HB2 LYS 43 2HB LYS 43 -9.685 -8.439 10.955 329 HB3 LYS 43 1HB LYS 43 -7.973 -8.039 10.954 330 HG2 LYS 43 2HG LYS 43 -7.837 -8.503 13.334 331 HG3 LYS 43 1HG LYS 43 -9.570 -8.832 13.384 332 HD2 LYS 43 2HD LYS 43 -9.237 -10.702 11.811 333 HD3 LYS 43 1HD LYS 43 -7.501 -10.388 11.831 334 HE2 LYS 43 2HE LYS 43 -9.151 -11.083 14.259 335 HE3 LYS 43 1HE LYS 43 -8.191 -12.234 13.334 336 HZ1 LYS 43 3HZ LYS 43 -7.006 -9.812 14.547 337 HZ2 LYS 43 1HZ LYS 43 -6.206 -11.193 13.973 338 HZ3 LYS 43 2HZ LYS 43 -7.133 -11.266 15.395 339 H LYS 44 H LYS 44 -8.326 -4.327 11.111 340 HA LYS 44 HA LYS 44 -6.751 -2.831 11.722 341 HB2 LYS 44 2HB LYS 44 -6.782 -4.385 14.305 342 HB3 LYS 44 1HB LYS 44 -5.800 -2.949 14.052 343 HG2 LYS 44 2HG LYS 44 -7.829 -1.649 13.610 344 HG3 LYS 44 1HG LYS 44 -8.805 -3.092 13.904 345 HD2 LYS 44 2HD LYS 44 -8.073 -3.199 16.181 346 HD3 LYS 44 1HD LYS 44 -6.897 -1.912 15.920 347 HE2 LYS 44 2HE LYS 44 -8.769 -0.366 15.426 348 HE3 LYS 44 1HE LYS 44 -9.901 -1.658 15.822 349 HZ1 LYS 44 3HZ LYS 44 -7.839 -0.705 17.722 350 HZ2 LYS 44 1HZ LYS 44 -9.194 -1.665 18.056 351 HZ3 LYS 44 2HZ LYS 44 -9.389 -0.027 17.655 352 H LEU 45 H LEU 45 -6.156 -5.673 10.683 353 HA LEU 45 HA LEU 45 -3.312 -5.775 11.384 354 HB2 LEU 45 2HB LEU 45 -5.039 -7.839 10.014 355 HB3 LEU 45 1HB LEU 45 -3.337 -8.030 10.394 356 HG LEU 45 HG LEU 45 -5.583 -7.738 12.388 357 HD11 LEU 45 1HD1 LEU 45 -5.066 -10.029 12.972 358 HD12 LEU 45 2HD1 LEU 45 -3.798 -10.076 11.747 359 HD13 LEU 45 3HD1 LEU 45 -5.487 -9.914 11.263 360 HD21 LEU 45 3HD2 LEU 45 -2.616 -8.086 12.811 361 HD22 LEU 45 1HD2 LEU 45 -3.842 -8.187 14.074 362 HD23 LEU 45 2HD2 LEU 45 -3.576 -6.665 13.222 363 H SER 46 H SER 46 -1.798 -5.279 9.961 364 HA SER 46 HA SER 46 -2.564 -4.307 7.363 365 HB2 SER 46 2HB SER 46 -0.017 -3.959 7.194 366 HB3 SER 46 1HB SER 46 -0.894 -3.017 8.393 367 HG SER 46 HG SER 46 0.886 -5.146 8.744 368 H VAL 47 H VAL 47 -3.119 -5.847 5.948 369 HA VAL 47 HA VAL 47 -1.630 -8.323 5.786 370 HB VAL 47 HB VAL 47 -3.971 -7.286 4.174 371 HG11 VAL 47 1HG1 VAL 47 -2.666 -10.009 4.095 372 HG12 VAL 47 2HG1 VAL 47 -2.604 -8.797 2.816 373 HG13 VAL 47 3HG1 VAL 47 -4.142 -9.547 3.245 374 HG21 VAL 47 3HG2 VAL 47 -5.232 -9.013 5.401 375 HG22 VAL 47 1HG2 VAL 47 -4.527 -7.810 6.483 376 HG23 VAL 47 2HG2 VAL 47 -3.777 -9.397 6.321 377 H CYS 48 H CYS 48 0.041 -8.645 4.456 378 HA CYS 48 HA CYS 48 0.844 -6.431 2.765 379 HB2 CYS 48 2HB CYS 48 2.361 -8.969 3.395 380 HB3 CYS 48 1HB CYS 48 3.017 -7.461 2.753 381 H ALA 49 H ALA 49 -0.465 -6.543 1.048 382 HA ALA 49 HA ALA 49 -1.186 -8.961 -0.251 383 HB1 ALA 49 1HB ALA 49 -1.472 -6.073 -1.089 384 HB2 ALA 49 2HB ALA 49 -2.667 -7.041 -0.227 385 HB3 ALA 49 3HB ALA 49 -2.243 -7.445 -1.894 386 H ASN 50 H ASN 50 -0.324 -9.945 -1.964 387 HA ASN 50 HA ASN 50 2.317 -9.290 -2.819 388 HB2 ASN 50 2HB ASN 50 0.305 -11.208 -4.034 389 HB3 ASN 50 1HB ASN 50 2.000 -11.104 -4.483 390 HD21 ASN 50 1HD2 ASN 50 0.751 -10.935 -1.179 391 HD22 ASN 50 2HD2 ASN 50 1.408 -12.459 -0.684 392 HA PRO 51 HA PRO 51 1.062 -6.298 -5.865 393 HB2 PRO 51 2HB PRO 51 3.738 -6.723 -7.022 394 HB3 PRO 51 1HB PRO 51 3.014 -5.255 -6.364 395 HG2 PRO 51 2HG PRO 51 4.956 -6.573 -5.058 396 HG3 PRO 51 1HG PRO 51 3.644 -5.740 -4.203 397 HD2 PRO 51 2HD PRO 51 3.991 -8.664 -4.756 398 HD3 PRO 51 1HD PRO 51 3.390 -7.850 -3.292 399 H LYS 52 H LYS 52 1.799 -9.513 -6.387 400 HA LYS 52 HA LYS 52 1.781 -9.627 -9.256 401 HB2 LYS 52 2HB LYS 52 1.343 -11.748 -7.148 402 HB3 LYS 52 1HB LYS 52 1.515 -12.071 -8.865 403 HG2 LYS 52 2HG LYS 52 3.795 -11.275 -8.829 404 HG3 LYS 52 1HG LYS 52 3.628 -10.808 -7.135 405 HD2 LYS 52 2HD LYS 52 4.793 -12.995 -7.475 406 HD3 LYS 52 1HD LYS 52 3.354 -13.092 -6.455 407 HE2 LYS 52 2HE LYS 52 3.336 -14.951 -7.976 408 HE3 LYS 52 1HE LYS 52 2.057 -13.834 -8.445 409 HZ1 LYS 52 3HZ LYS 52 3.663 -12.927 -10.119 410 HZ2 LYS 52 1HZ LYS 52 3.154 -14.519 -10.404 411 HZ3 LYS 52 2HZ LYS 52 4.691 -14.223 -9.756 412 H GLN 53 H GLN 53 -0.561 -9.824 -6.718 413 HA GLN 53 HA GLN 53 -2.409 -11.484 -8.108 414 HB2 GLN 53 2HB GLN 53 -3.164 -9.873 -5.707 415 HB3 GLN 53 1HB GLN 53 -3.565 -11.538 -6.108 416 HG2 GLN 53 2HG GLN 53 -1.251 -12.192 -5.651 417 HG3 GLN 53 1HG GLN 53 -0.875 -10.532 -5.231 418 HE21 GLN 53 1HE2 GLN 53 -1.730 -9.638 -3.355 419 HE22 GLN 53 2HE2 GLN 53 -2.260 -10.665 -2.067 420 H THR 54 H THR 54 -4.165 -10.972 -9.255 421 HA THR 54 HA THR 54 -4.530 -8.287 -10.128 422 HB THR 54 HB THR 54 -6.687 -9.430 -11.142 423 HG1 THR 54 1HG THR 54 -5.489 -11.753 -11.465 424 HG21 THR 54 3HG2 THR 54 -4.839 -8.568 -12.449 425 HG22 THR 54 1HG2 THR 54 -5.301 -10.159 -13.054 426 HG23 THR 54 2HG2 THR 54 -3.860 -9.979 -12.053 427 H TRP 55 H TRP 55 -6.090 -10.303 -7.712 428 HA TRP 55 HA TRP 55 -8.314 -8.619 -7.293 429 HB2 TRP 55 2HB TRP 55 -8.642 -9.715 -5.208 430 HB3 TRP 55 1HB TRP 55 -8.144 -10.916 -6.384 431 HD1 TRP 55 HD TRP 55 -5.771 -12.012 -5.989 432 HE1 TRP 55 1HE TRP 55 -4.275 -12.180 -3.969 433 HE3 TRP 55 3HE TRP 55 -7.862 -8.394 -3.331 434 HZ2 TRP 55 2HZ TRP 55 -4.000 -10.874 -1.485 435 HZ3 TRP 55 3HZ TRP 55 -6.968 -7.876 -1.212 436 HH2 TRP 55 HH TRP 55 -5.085 -9.042 -0.239 437 H VAL 56 H VAL 56 -5.039 -8.577 -6.243 438 HA VAL 56 HA VAL 56 -5.251 -6.333 -4.527 439 HB VAL 56 HB VAL 56 -2.934 -7.572 -6.011 440 HG11 VAL 56 1HG1 VAL 56 -2.879 -5.266 -4.082 441 HG12 VAL 56 2HG1 VAL 56 -2.437 -5.226 -5.790 442 HG13 VAL 56 3HG1 VAL 56 -1.468 -6.156 -4.646 443 HG21 VAL 56 3HG2 VAL 56 -3.844 -8.868 -4.181 444 HG22 VAL 56 1HG2 VAL 56 -3.687 -7.481 -3.101 445 HG23 VAL 56 2HG2 VAL 56 -2.245 -8.245 -3.772 446 H LYS 57 H LYS 57 -4.236 -6.751 -7.901 447 HA LYS 57 HA LYS 57 -3.731 -4.068 -8.461 448 HB2 LYS 57 2HB LYS 57 -4.619 -6.260 -10.344 449 HB3 LYS 57 1HB LYS 57 -3.927 -4.718 -10.841 450 HG2 LYS 57 2HG LYS 57 -1.870 -5.276 -9.601 451 HG3 LYS 57 1HG LYS 57 -2.568 -6.845 -9.202 452 HD2 LYS 57 2HD LYS 57 -2.674 -7.415 -11.569 453 HD3 LYS 57 1HD LYS 57 -2.013 -5.830 -11.988 454 HE2 LYS 57 2HE LYS 57 0.006 -6.361 -10.680 455 HE3 LYS 57 1HE LYS 57 -0.647 -7.968 -10.362 456 HZ1 LYS 57 3HZ LYS 57 0.990 -7.776 -12.243 457 HZ2 LYS 57 1HZ LYS 57 -0.204 -6.941 -13.105 458 HZ3 LYS 57 2HZ LYS 57 -0.468 -8.545 -12.622 459 H TYR 58 H TYR 58 -6.746 -5.833 -8.382 460 HA TYR 58 HA TYR 58 -8.323 -3.803 -9.583 461 HB2 TYR 58 2HB TYR 58 -9.421 -5.843 -9.564 462 HB3 TYR 58 1HB TYR 58 -8.882 -6.237 -7.936 463 HD1 TYR 58 1HD TYR 58 -10.833 -3.382 -9.403 464 HD2 TYR 58 2HD TYR 58 -10.653 -6.505 -6.522 465 HE1 TYR 58 1HE TYR 58 -12.994 -2.654 -8.492 466 HE2 TYR 58 2HE TYR 58 -12.812 -5.795 -5.603 467 HH TYR 58 HH TYR 58 -14.894 -3.668 -7.175 468 H ILE 59 H ILE 59 -7.847 -4.751 -6.170 469 HA ILE 59 HA ILE 59 -9.369 -2.688 -5.064 470 HB ILE 59 HB ILE 59 -7.060 -4.166 -3.807 471 HG12 ILE 59 2HG1 ILE 59 -10.037 -4.680 -3.605 472 HG13 ILE 59 1HG1 ILE 59 -8.951 -5.570 -4.651 473 HG21 ILE 59 1HG2 ILE 59 -9.302 -2.589 -2.544 474 HG22 ILE 59 2HG2 ILE 59 -7.600 -2.128 -2.582 475 HG23 ILE 59 3HG2 ILE 59 -8.107 -3.551 -1.673 476 HD11 ILE 59 3HD1 ILE 59 -9.437 -6.787 -2.614 477 HD12 ILE 59 1HD1 ILE 59 -8.766 -5.459 -1.667 478 HD13 ILE 59 2HD1 ILE 59 -7.723 -6.391 -2.743 479 H VAL 60 H VAL 60 -5.868 -2.897 -5.674 480 HA VAL 60 HA VAL 60 -5.304 -0.326 -4.581 481 HB VAL 60 HB VAL 60 -3.586 -2.117 -4.792 482 HG11 VAL 60 1HG1 VAL 60 -2.421 -2.389 -6.939 483 HG12 VAL 60 2HG1 VAL 60 -3.641 -1.382 -7.718 484 HG13 VAL 60 3HG1 VAL 60 -4.095 -2.937 -7.020 485 HG21 VAL 60 3HG2 VAL 60 -2.869 0.472 -6.160 486 HG22 VAL 60 1HG2 VAL 60 -1.745 -0.640 -5.380 487 HG23 VAL 60 2HG2 VAL 60 -2.948 0.219 -4.417 488 H ARG 61 H ARG 61 -6.297 -1.411 -7.760 489 HA ARG 61 HA ARG 61 -5.679 0.893 -9.247 490 HB2 ARG 61 2HB ARG 61 -6.434 -1.052 -10.424 491 HB3 ARG 61 1HB ARG 61 -7.917 -1.128 -9.486 492 HG2 ARG 61 2HG ARG 61 -8.725 0.897 -10.557 493 HG3 ARG 61 1HG ARG 61 -7.222 1.025 -11.475 494 HD2 ARG 61 2HD ARG 61 -7.692 -0.956 -12.686 495 HD3 ARG 61 1HD ARG 61 -9.013 -1.387 -11.601 496 HE ARG 61 HE ARG 61 -9.879 0.944 -12.596 497 HH11 ARG 61 1HH1 ARG 61 -8.505 -1.868 -14.170 498 HH12 ARG 61 2HH1 ARG 61 -9.447 -1.693 -15.619 499 HH21 ARG 61 1HH2 ARG 61 -11.134 1.183 -14.497 500 HH22 ARG 61 2HH2 ARG 61 -10.921 0.073 -15.820 501 H LEU 62 H LEU 62 -8.474 0.065 -7.259 502 HA LEU 62 HA LEU 62 -9.815 2.546 -7.693 503 HB2 LEU 62 2HB LEU 62 -10.164 0.402 -5.601 504 HB3 LEU 62 1HB LEU 62 -11.201 1.813 -5.727 505 HG LEU 62 HG LEU 62 -10.876 -0.359 -7.799 506 HD11 LEU 62 1HD1 LEU 62 -13.220 0.366 -6.044 507 HD12 LEU 62 2HD1 LEU 62 -12.169 -1.035 -5.831 508 HD13 LEU 62 3HD1 LEU 62 -13.182 -0.905 -7.268 509 HD21 LEU 62 3HD2 LEU 62 -12.660 0.792 -9.016 510 HD22 LEU 62 1HD2 LEU 62 -11.232 1.816 -8.852 511 HD23 LEU 62 2HD2 LEU 62 -12.638 2.092 -7.825 512 H LEU 63 H LEU 63 -7.684 1.269 -5.188 513 HA LEU 63 HA LEU 63 -7.933 3.387 -3.377 514 HB2 LEU 63 2HB LEU 63 -6.046 1.179 -3.793 515 HB3 LEU 63 1HB LEU 63 -5.457 2.532 -2.846 516 HG LEU 63 HG LEU 63 -6.585 1.854 -1.042 517 HD11 LEU 63 1HD1 LEU 63 -9.007 1.465 -2.792 518 HD12 LEU 63 2HD1 LEU 63 -8.620 2.897 -1.836 519 HD13 LEU 63 3HD1 LEU 63 -8.990 1.372 -1.029 520 HD21 LEU 63 3HD2 LEU 63 -7.311 -0.492 -2.777 521 HD22 LEU 63 1HD2 LEU 63 -7.432 -0.440 -1.018 522 HD23 LEU 63 2HD2 LEU 63 -5.855 -0.311 -1.796 523 H SER 64 H SER 64 -5.637 2.908 -6.029 524 HA SER 64 HA SER 64 -3.950 5.039 -5.313 525 HB2 SER 64 2HB SER 64 -3.093 4.815 -7.691 526 HB3 SER 64 1HB SER 64 -3.035 3.356 -6.702 527 HG SER 64 HG SER 64 -4.724 2.512 -7.813 528 H LYS 65 H LYS 65 -6.965 5.046 -7.056 529 HA LYS 65 HA LYS 65 -6.380 7.732 -8.062 530 HB2 LYS 65 2HB LYS 65 -8.438 5.700 -8.864 531 HB3 LYS 65 1HB LYS 65 -8.605 7.388 -9.323 532 HG2 LYS 65 2HG LYS 65 -7.609 6.306 -11.156 533 HG3 LYS 65 1HG LYS 65 -6.314 7.204 -10.368 534 HD2 LYS 65 2HD LYS 65 -5.730 5.066 -9.163 535 HD3 LYS 65 1HD LYS 65 -6.867 4.249 -10.238 536 HE2 LYS 65 2HE LYS 65 -5.584 5.018 -12.173 537 HE3 LYS 65 1HE LYS 65 -4.448 5.831 -11.092 538 HZ1 LYS 65 3HZ LYS 65 -4.140 3.523 -10.069 539 HZ2 LYS 65 1HZ LYS 65 -3.433 3.814 -11.585 540 HZ3 LYS 65 2HZ LYS 65 -4.872 2.933 -11.480 541 H LYS 66 H LYS 66 -7.815 6.360 -5.443 542 HA LYS 66 HA LYS 66 -9.783 8.540 -5.235 543 HB2 LYS 66 2HB LYS 66 -9.828 5.838 -3.889 544 HB3 LYS 66 1HB LYS 66 -11.009 7.113 -3.620 545 HG2 LYS 66 2HG LYS 66 -10.511 5.586 -6.164 546 HG3 LYS 66 1HG LYS 66 -11.944 5.528 -5.137 547 HD2 LYS 66 2HD LYS 66 -10.977 7.907 -6.719 548 HD3 LYS 66 1HD LYS 66 -12.349 6.874 -7.125 549 HE2 LYS 66 2HE LYS 66 -13.521 7.576 -5.130 550 HE3 LYS 66 1HE LYS 66 -12.117 8.504 -4.598 551 HZ1 LYS 66 3HZ LYS 66 -13.817 9.907 -5.617 552 HZ2 LYS 66 1HZ LYS 66 -13.684 9.039 -7.064 553 HZ3 LYS 66 2HZ LYS 66 -12.372 9.950 -6.500 554 H VAL 67 H VAL 67 -7.143 6.944 -3.640 555 HA VAL 67 HA VAL 67 -7.562 8.352 -1.152 556 HB VAL 67 HB VAL 67 -5.205 6.662 -2.007 557 HG11 VAL 67 1HG1 VAL 67 -4.650 8.153 -0.172 558 HG12 VAL 67 2HG1 VAL 67 -4.753 6.487 0.400 559 HG13 VAL 67 3HG1 VAL 67 -6.072 7.614 0.719 560 HG21 VAL 67 3HG2 VAL 67 -7.636 5.910 -0.387 561 HG22 VAL 67 1HG2 VAL 67 -6.250 4.871 -0.717 562 HG23 VAL 67 2HG2 VAL 67 -7.296 5.392 -2.040 563 H LYS 68 H LYS 68 -6.953 10.373 -0.838 564 HA LYS 68 HA LYS 68 -4.979 11.615 -2.561 565 HB2 LYS 68 2HB LYS 68 -6.511 12.772 -0.220 566 HB3 LYS 68 1HB LYS 68 -5.531 13.682 -1.362 567 HG2 LYS 68 2HG LYS 68 -7.069 12.984 -3.175 568 HG3 LYS 68 1HG LYS 68 -8.075 12.187 -1.963 569 HD2 LYS 68 2HD LYS 68 -7.427 15.131 -2.097 570 HD3 LYS 68 1HD LYS 68 -8.971 14.377 -2.497 571 HE2 LYS 68 2HE LYS 68 -7.660 14.304 0.218 572 HE3 LYS 68 1HE LYS 68 -8.944 15.419 -0.250 573 HZ1 LYS 68 3HZ LYS 68 -9.788 13.499 0.969 574 HZ2 LYS 68 1HZ LYS 68 -9.175 12.452 -0.218 575 HZ3 LYS 68 2HZ LYS 68 -10.412 13.546 -0.605 576 H ASN 69 H ASN 69 -2.934 11.091 -2.112 577 HA ASN 69 HA ASN 69 -2.101 10.764 0.669 578 HB2 ASN 69 2HB ASN 69 -0.068 9.799 -0.222 579 HB3 ASN 69 1HB ASN 69 -1.437 9.070 -1.050 580 HD21 ASN 69 1HD2 ASN 69 1.450 10.852 -1.374 581 HD22 ASN 69 2HD2 ASN 69 1.378 11.091 -3.092 582 H MET 70 H MET 70 -2.331 13.191 -1.550 583 HA MET 70 HA MET 70 -0.075 14.681 -0.394 584 HB2 MET 70 2HB MET 70 0.045 14.338 -2.860 585 HB3 MET 70 1HB MET 70 -1.489 15.181 -3.025 586 HG2 MET 70 2HG MET 70 0.289 16.686 -3.562 587 HG3 MET 70 1HG MET 70 -0.446 17.190 -2.040 588 HE1 MET 70 3HE MET 70 2.043 14.213 -2.667 589 HE2 MET 70 1HE MET 70 3.595 14.977 -2.320 590 HE3 MET 70 2HE MET 70 2.666 15.473 -3.733 Start of MODEL 11 1 H1 ALA 1 1HT ALA 1 21.073 -1.435 1.070 2 H2 ALA 1 2HT ALA 1 22.546 -0.607 1.191 3 H3 ALA 1 3HT ALA 1 21.302 0.014 0.221 4 HA ALA 1 HA ALA 1 21.130 -0.328 3.160 5 HB1 ALA 1 1HB ALA 1 21.624 2.179 1.560 6 HB2 ALA 1 2HB ALA 1 22.805 1.350 2.576 7 HB3 ALA 1 3HB ALA 1 21.377 2.090 3.303 8 H SER 2 H SER 2 19.215 0.556 4.064 9 HA SER 2 HA SER 2 17.095 1.248 2.148 10 HB2 SER 2 2HB SER 2 16.344 -0.480 4.455 11 HB3 SER 2 1HB SER 2 15.685 -0.433 2.818 12 HG SER 2 HG SER 2 16.917 -2.082 2.386 13 H ASN 3 H ASN 3 15.536 2.671 2.971 14 HA ASN 3 HA ASN 3 16.134 4.168 5.316 15 HB2 ASN 3 2HB ASN 3 13.549 3.961 3.735 16 HB3 ASN 3 1HB ASN 3 13.841 5.129 5.017 17 HD21 ASN 3 1HD2 ASN 3 13.529 6.869 3.670 18 HD22 ASN 3 2HD2 ASN 3 14.674 7.320 2.455 19 H PHE 4 H PHE 4 13.294 2.218 4.607 20 HA PHE 4 HA PHE 4 13.533 0.879 7.212 21 HB2 PHE 4 2HB PHE 4 11.113 0.888 7.455 22 HB3 PHE 4 1HB PHE 4 11.663 2.540 7.263 23 HD1 PHE 4 2HD PHE 4 11.554 3.537 4.882 24 HD2 PHE 4 1HD PHE 4 9.425 0.068 6.117 25 HE1 PHE 4 2HE PHE 4 10.003 3.821 2.997 26 HE2 PHE 4 1HE PHE 4 7.878 0.343 4.234 27 HZ PHE 4 HZ PHE 4 8.158 2.227 2.670 28 H ASP 5 H ASP 5 12.488 -1.287 7.155 29 HA ASP 5 HA ASP 5 12.202 -2.211 4.390 30 HB2 ASP 5 2HB ASP 5 12.886 -4.494 5.249 31 HB3 ASP 5 1HB ASP 5 14.141 -3.269 5.126 32 H CYS 6 H CYS 6 10.275 -2.483 3.894 33 HA CYS 6 HA CYS 6 8.084 -2.623 5.581 34 HB2 CYS 6 2HB CYS 6 6.854 -3.102 3.538 35 HB3 CYS 6 1HB CYS 6 8.042 -1.842 3.277 36 H CYS 7 H CYS 7 6.373 -4.412 5.112 37 HA CYS 7 HA CYS 7 6.934 -6.676 6.527 38 HB2 CYS 7 2HB CYS 7 4.677 -5.846 5.955 39 HB3 CYS 7 1HB CYS 7 4.910 -6.416 4.307 40 H LEU 8 H LEU 8 8.327 -8.252 6.160 41 HA LEU 8 HA LEU 8 9.244 -8.792 3.457 42 HB2 LEU 8 2HB LEU 8 10.194 -9.863 6.115 43 HB3 LEU 8 1HB LEU 8 10.979 -10.128 4.569 44 HG LEU 8 HG LEU 8 10.647 -7.438 5.910 45 HD11 LEU 8 1HD1 LEU 8 13.087 -7.577 6.246 46 HD12 LEU 8 2HD1 LEU 8 13.047 -9.244 5.671 47 HD13 LEU 8 3HD1 LEU 8 12.197 -8.803 7.152 48 HD21 LEU 8 3HD2 LEU 8 12.171 -6.633 4.185 49 HD22 LEU 8 1HD2 LEU 8 10.706 -7.304 3.466 50 HD23 LEU 8 2HD2 LEU 8 12.204 -8.238 3.454 51 H GLY 9 H GLY 9 6.583 -9.739 4.700 52 HA2 GLY 9 2HA GLY 9 6.777 -12.444 3.587 53 HA3 GLY 9 1HA GLY 9 6.155 -12.277 5.223 54 H TYR 10 H TYR 10 5.264 -12.518 2.058 55 HA TYR 10 HA TYR 10 3.118 -10.571 2.114 56 HB2 TYR 10 2HB TYR 10 3.810 -12.603 -0.008 57 HB3 TYR 10 1HB TYR 10 2.669 -11.283 -0.176 58 HD1 TYR 10 1HD TYR 10 6.260 -11.978 0.449 59 HD2 TYR 10 2HD TYR 10 3.371 -9.203 -1.012 60 HE1 TYR 10 1HE TYR 10 8.070 -10.566 -0.426 61 HE2 TYR 10 2HE TYR 10 5.182 -7.784 -1.880 62 HH TYR 10 HH TYR 10 8.410 -8.860 -2.118 63 H THR 11 H THR 11 0.937 -11.290 1.332 64 HA THR 11 HA THR 11 -0.001 -13.437 3.020 65 HB THR 11 HB THR 11 -1.169 -11.206 2.849 66 HG1 THR 11 1HG THR 11 -2.478 -12.726 3.692 67 HG21 THR 11 3HG2 THR 11 -2.656 -10.820 0.944 68 HG22 THR 11 1HG2 THR 11 -2.037 -12.274 0.158 69 HG23 THR 11 2HG2 THR 11 -0.972 -10.896 0.425 70 H ASP 12 H ASP 12 -2.068 -14.568 1.853 71 HA ASP 12 HA ASP 12 -1.235 -15.653 -0.744 72 HB2 ASP 12 2HB ASP 12 -1.491 -17.945 0.057 73 HB3 ASP 12 1HB ASP 12 -0.283 -17.109 1.027 74 H ARG 13 H ARG 13 -3.492 -13.986 0.472 75 HA ARG 13 HA ARG 13 -5.789 -15.773 0.143 76 HB2 ARG 13 2HB ARG 13 -5.113 -13.612 1.918 77 HB3 ARG 13 1HB ARG 13 -6.640 -13.286 1.093 78 HG2 ARG 13 2HG ARG 13 -7.714 -14.834 2.298 79 HG3 ARG 13 1HG ARG 13 -6.428 -16.023 2.066 80 HD2 ARG 13 2HD ARG 13 -6.302 -13.744 4.037 81 HD3 ARG 13 1HD ARG 13 -6.821 -15.379 4.449 82 HE ARG 13 HE ARG 13 -4.448 -15.899 3.417 83 HH11 ARG 13 1HH1 ARG 13 -5.352 -13.351 5.653 84 HH12 ARG 13 2HH1 ARG 13 -3.771 -13.242 6.365 85 HH21 ARG 13 1HH2 ARG 13 -2.391 -15.768 4.361 86 HH22 ARG 13 2HH2 ARG 13 -2.118 -14.661 5.682 87 H ILE 14 H ILE 14 -7.772 -14.774 -0.653 88 HA ILE 14 HA ILE 14 -7.425 -12.520 -2.512 89 HB ILE 14 HB ILE 14 -9.638 -14.572 -2.270 90 HG12 ILE 14 2HG1 ILE 14 -7.371 -14.938 -3.600 91 HG13 ILE 14 1HG1 ILE 14 -8.914 -15.516 -4.230 92 HG21 ILE 14 1HG2 ILE 14 -9.553 -12.167 -4.087 93 HG22 ILE 14 2HG2 ILE 14 -10.612 -12.373 -2.693 94 HG23 ILE 14 3HG2 ILE 14 -10.787 -13.429 -4.094 95 HD11 ILE 14 3HD1 ILE 14 -7.500 -12.973 -5.001 96 HD12 ILE 14 1HD1 ILE 14 -9.087 -13.477 -5.586 97 HD13 ILE 14 2HD1 ILE 14 -7.655 -14.437 -5.976 98 H LEU 15 H LEU 15 -7.408 -10.912 -0.850 99 HA LEU 15 HA LEU 15 -9.744 -10.731 0.885 100 HB2 LEU 15 2HB LEU 15 -7.308 -8.950 0.636 101 HB3 LEU 15 1HB LEU 15 -8.653 -8.608 1.711 102 HG LEU 15 HG LEU 15 -7.090 -9.552 3.126 103 HD11 LEU 15 1HD1 LEU 15 -9.209 -10.690 3.388 104 HD12 LEU 15 2HD1 LEU 15 -7.868 -11.789 3.724 105 HD13 LEU 15 3HD1 LEU 15 -8.736 -11.897 2.189 106 HD21 LEU 15 3HD2 LEU 15 -5.453 -10.166 1.476 107 HD22 LEU 15 1HD2 LEU 15 -6.442 -11.528 0.947 108 HD23 LEU 15 2HD2 LEU 15 -5.728 -11.528 2.563 109 H HIS 16 H HIS 16 -10.785 -8.469 0.999 110 HA HIS 16 HA HIS 16 -11.123 -7.486 -1.753 111 HB2 HIS 16 2HB HIS 16 -13.341 -8.216 0.156 112 HB3 HIS 16 1HB HIS 16 -13.569 -7.385 -1.371 113 HD1 HIS 16 1HD HIS 16 -14.988 -9.957 -0.881 114 HD2 HIS 16 2HD HIS 16 -11.210 -9.787 -2.600 115 HE1 HIS 16 1HE HIS 16 -14.798 -11.995 -2.257 116 HE2 HIS 16 2HE HIS 16 -12.631 -11.779 -3.502 117 HA PRO 17 HA PRO 17 -11.707 -3.396 0.105 118 HB2 PRO 17 2HB PRO 17 -13.907 -2.538 -1.316 119 HB3 PRO 17 1HB PRO 17 -12.246 -2.432 -1.908 120 HG2 PRO 17 2HG PRO 17 -14.358 -4.447 -2.535 121 HG3 PRO 17 1HG PRO 17 -13.154 -3.705 -3.606 122 HD2 PRO 17 2HD PRO 17 -12.863 -6.214 -2.633 123 HD3 PRO 17 1HD PRO 17 -11.477 -5.138 -2.929 124 H LYS 18 H LYS 18 -14.093 -5.832 -0.259 125 HA LYS 18 HA LYS 18 -16.131 -5.123 1.475 126 HB2 LYS 18 2HB LYS 18 -14.839 -7.850 1.140 127 HB3 LYS 18 1HB LYS 18 -16.433 -7.571 1.796 128 HG2 LYS 18 2HG LYS 18 -16.999 -6.552 -0.477 129 HG3 LYS 18 1HG LYS 18 -15.498 -7.281 -1.033 130 HD2 LYS 18 2HD LYS 18 -16.314 -9.468 -0.233 131 HD3 LYS 18 1HD LYS 18 -17.834 -8.707 0.230 132 HE2 LYS 18 2HE LYS 18 -18.145 -8.026 -2.138 133 HE3 LYS 18 1HE LYS 18 -16.696 -8.945 -2.547 134 HZ1 LYS 18 3HZ LYS 18 -17.772 -10.949 -1.733 135 HZ2 LYS 18 1HZ LYS 18 -18.707 -10.231 -2.950 136 HZ3 LYS 18 2HZ LYS 18 -19.166 -10.070 -1.328 137 H PHE 19 H PHE 19 -12.820 -5.883 2.121 138 HA PHE 19 HA PHE 19 -13.359 -5.908 5.014 139 HB2 PHE 19 2HB PHE 19 -11.262 -7.579 3.603 140 HB3 PHE 19 1HB PHE 19 -11.626 -7.588 5.322 141 HD1 PHE 19 2HD PHE 19 -12.810 -8.594 1.994 142 HD2 PHE 19 1HD PHE 19 -13.477 -8.822 6.190 143 HE1 PHE 19 2HE PHE 19 -14.429 -10.410 1.629 144 HE2 PHE 19 1HE PHE 19 -15.092 -10.647 5.836 145 HZ PHE 19 HZ PHE 19 -15.570 -11.442 3.556 146 H ILE 20 H ILE 20 -12.062 -4.134 2.636 147 HA ILE 20 HA ILE 20 -9.550 -3.513 4.027 148 HB ILE 20 HB ILE 20 -10.408 -3.361 1.197 149 HG12 ILE 20 2HG1 ILE 20 -8.222 -4.122 0.725 150 HG13 ILE 20 1HG1 ILE 20 -7.590 -3.548 2.261 151 HG21 ILE 20 1HG2 ILE 20 -10.105 -0.994 1.631 152 HG22 ILE 20 2HG2 ILE 20 -8.805 -1.608 0.612 153 HG23 ILE 20 3HG2 ILE 20 -8.514 -1.307 2.324 154 HD11 ILE 20 3HD1 ILE 20 -8.818 -5.306 3.418 155 HD12 ILE 20 1HD1 ILE 20 -7.741 -5.972 2.193 156 HD13 ILE 20 2HD1 ILE 20 -9.477 -5.866 1.879 157 H VAL 21 H VAL 21 -9.483 -1.806 5.305 158 HA VAL 21 HA VAL 21 -11.204 0.502 4.649 159 HB VAL 21 HB VAL 21 -11.210 1.089 7.057 160 HG11 VAL 21 1HG1 VAL 21 -13.092 -0.118 6.066 161 HG12 VAL 21 2HG1 VAL 21 -12.847 -0.581 7.746 162 HG13 VAL 21 3HG1 VAL 21 -12.317 -1.654 6.453 163 HG21 VAL 21 3HG2 VAL 21 -9.958 -1.635 7.436 164 HG22 VAL 21 1HG2 VAL 21 -10.553 -0.585 8.723 165 HG23 VAL 21 2HG2 VAL 21 -9.178 -0.083 7.740 166 H GLY 22 H GLY 22 -8.093 -0.651 4.914 167 HA2 GLY 22 2HA GLY 22 -7.005 2.049 4.685 168 HA3 GLY 22 1HA GLY 22 -6.376 1.040 5.983 169 H PHE 23 H PHE 23 -4.748 2.033 3.933 170 HA PHE 23 HA PHE 23 -3.708 -0.419 2.760 171 HB2 PHE 23 2HB PHE 23 -5.118 -0.040 1.020 172 HB3 PHE 23 1HB PHE 23 -5.156 1.700 1.260 173 HD1 PHE 23 2HD PHE 23 -3.421 3.094 0.402 174 HD2 PHE 23 1HD PHE 23 -3.475 -1.086 -0.295 175 HE1 PHE 23 2HE PHE 23 -1.782 3.380 -1.422 176 HE2 PHE 23 1HE PHE 23 -1.842 -0.818 -2.104 177 HZ PHE 23 HZ PHE 23 -1.004 1.395 -2.652 178 H THR 24 H THR 24 -1.585 -0.319 2.672 179 HA THR 24 HA THR 24 -0.231 2.262 2.443 180 HB THR 24 HB THR 24 0.625 0.215 4.491 181 HG1 THR 24 1HG THR 24 -0.480 2.767 5.081 182 HG21 THR 24 3HG2 THR 24 1.491 3.078 4.057 183 HG22 THR 24 1HG2 THR 24 2.408 1.657 3.552 184 HG23 THR 24 2HG2 THR 24 2.125 1.961 5.261 185 H ARG 25 H ARG 25 0.982 2.060 0.661 186 HA ARG 25 HA ARG 25 1.935 -0.608 -0.082 187 HB2 ARG 25 2HB ARG 25 0.587 0.365 -1.782 188 HB3 ARG 25 1HB ARG 25 1.459 1.891 -1.706 189 HG2 ARG 25 2HG ARG 25 3.449 0.780 -2.604 190 HG3 ARG 25 1HG ARG 25 2.555 -0.734 -2.689 191 HD2 ARG 25 2HD ARG 25 2.587 0.272 -4.871 192 HD3 ARG 25 1HD ARG 25 0.946 0.358 -4.232 193 HE ARG 25 HE ARG 25 1.615 2.736 -3.578 194 HH11 ARG 25 1HH1 ARG 25 2.880 1.052 -6.381 195 HH12 ARG 25 2HH1 ARG 25 3.154 2.496 -7.299 196 HH21 ARG 25 1HH2 ARG 25 1.969 4.653 -4.784 197 HH22 ARG 25 2HH2 ARG 25 2.639 4.555 -6.383 198 H GLN 26 H GLN 26 3.959 -1.066 0.388 199 HA GLN 26 HA GLN 26 5.939 1.089 0.487 200 HB2 GLN 26 2HB GLN 26 6.031 -1.788 1.380 201 HB3 GLN 26 1HB GLN 26 7.452 -0.759 1.332 202 HG2 GLN 26 2HG GLN 26 6.769 -0.656 3.530 203 HG3 GLN 26 1HG GLN 26 6.132 0.825 2.819 204 HE21 GLN 26 1HE2 GLN 26 5.337 -2.327 4.052 205 HE22 GLN 26 2HE2 GLN 26 3.650 -2.038 4.245 206 H LEU 27 H LEU 27 7.657 1.170 -0.872 207 HA LEU 27 HA LEU 27 7.678 -0.773 -3.078 208 HB2 LEU 27 2HB LEU 27 8.101 2.211 -3.283 209 HB3 LEU 27 1HB LEU 27 8.315 1.075 -4.598 210 HG LEU 27 HG LEU 27 5.810 0.502 -4.187 211 HD11 LEU 27 1HD1 LEU 27 5.991 3.226 -2.919 212 HD12 LEU 27 2HD1 LEU 27 5.535 1.725 -2.112 213 HD13 LEU 27 3HD1 LEU 27 4.499 2.402 -3.370 214 HD21 LEU 27 3HD2 LEU 27 5.133 2.339 -5.674 215 HD22 LEU 27 1HD2 LEU 27 6.616 1.546 -6.206 216 HD23 LEU 27 2HD2 LEU 27 6.695 3.112 -5.395 217 H ALA 28 H ALA 28 9.751 -0.902 -4.198 218 HA ALA 28 HA ALA 28 11.903 -1.025 -2.300 219 HB1 ALA 28 1HB ALA 28 11.885 -1.626 -5.255 220 HB2 ALA 28 2HB ALA 28 11.551 -2.783 -3.962 221 HB3 ALA 28 3HB ALA 28 13.158 -2.065 -4.112 222 H ASN 29 H ASN 29 10.665 1.426 -3.960 223 HA ASN 29 HA ASN 29 13.236 2.825 -4.174 224 HB2 ASN 29 2HB ASN 29 12.029 4.401 -5.722 225 HB3 ASN 29 1HB ASN 29 12.261 2.776 -6.345 226 HD21 ASN 29 1HD2 ASN 29 10.509 1.504 -6.765 227 HD22 ASN 29 2HD2 ASN 29 8.880 2.077 -6.679 228 H GLU 30 H GLU 30 10.767 2.432 -2.146 229 HA GLU 30 HA GLU 30 10.616 5.269 -1.390 230 HB2 GLU 30 2HB GLU 30 8.788 2.954 -0.758 231 HB3 GLU 30 1HB GLU 30 8.649 4.531 0.005 232 HG2 GLU 30 2HG GLU 30 8.457 4.039 -2.957 233 HG3 GLU 30 1HG GLU 30 7.081 4.184 -1.865 234 H GLY 31 H GLY 31 12.125 2.405 -0.594 235 HA2 GLY 31 2HA GLY 31 13.760 3.166 1.336 236 HA3 GLY 31 1HA GLY 31 12.279 2.977 2.262 237 H CYS 32 H CYS 32 11.132 0.795 1.569 238 HA CYS 32 HA CYS 32 12.593 -1.398 2.423 239 HB2 CYS 32 2HB CYS 32 10.052 -1.099 2.224 240 HB3 CYS 32 1HB CYS 32 10.247 -1.547 0.533 241 H ASP 33 H ASP 33 13.532 -3.160 1.265 242 HA ASP 33 HA ASP 33 14.579 -2.447 -1.339 243 HB2 ASP 33 2HB ASP 33 14.978 -4.966 0.299 244 HB3 ASP 33 1HB ASP 33 15.835 -4.576 -1.188 245 H ILE 34 H ILE 34 12.042 -4.336 -0.016 246 HA ILE 34 HA ILE 34 11.401 -5.335 -2.705 247 HB ILE 34 HB ILE 34 9.907 -6.958 -1.660 248 HG12 ILE 34 2HG1 ILE 34 10.907 -5.923 1.002 249 HG13 ILE 34 1HG1 ILE 34 9.325 -5.552 0.329 250 HG21 ILE 34 1HG2 ILE 34 12.658 -6.988 -0.423 251 HG22 ILE 34 2HG2 ILE 34 12.221 -7.622 -2.011 252 HG23 ILE 34 3HG2 ILE 34 11.577 -8.376 -0.553 253 HD11 ILE 34 3HD1 ILE 34 9.169 -7.304 1.984 254 HD12 ILE 34 1HD1 ILE 34 10.335 -8.280 1.090 255 HD13 ILE 34 2HD1 ILE 34 8.755 -7.932 0.388 256 H ASN 35 H ASN 35 8.702 -5.660 -2.493 257 HA ASN 35 HA ASN 35 7.643 -3.120 -1.532 258 HB2 ASN 35 2HB ASN 35 6.335 -2.871 -3.689 259 HB3 ASN 35 1HB ASN 35 8.060 -2.564 -3.808 260 HD21 ASN 35 1HD2 ASN 35 9.356 -3.976 -4.946 261 HD22 ASN 35 2HD2 ASN 35 8.711 -5.150 -6.037 262 H ALA 36 H ALA 36 5.983 -3.479 -0.338 263 HA ALA 36 HA ALA 36 4.279 -5.822 -0.863 264 HB1 ALA 36 1HB ALA 36 5.719 -6.266 1.062 265 HB2 ALA 36 2HB ALA 36 4.021 -6.159 1.533 266 HB3 ALA 36 3HB ALA 36 5.110 -4.810 1.853 267 H ILE 37 H ILE 37 2.134 -5.516 -0.781 268 HA ILE 37 HA ILE 37 1.168 -2.788 -0.392 269 HB ILE 37 HB ILE 37 -0.470 -5.127 -1.345 270 HG12 ILE 37 2HG1 ILE 37 1.458 -5.035 -2.828 271 HG13 ILE 37 1HG1 ILE 37 0.037 -4.435 -3.671 272 HG21 ILE 37 1HG2 ILE 37 -1.778 -3.362 -2.448 273 HG22 ILE 37 2HG2 ILE 37 -0.704 -2.152 -1.738 274 HG23 ILE 37 3HG2 ILE 37 -1.705 -3.166 -0.696 275 HD11 ILE 37 3HD1 ILE 37 1.912 -3.062 -4.214 276 HD12 ILE 37 1HD1 ILE 37 2.276 -2.814 -2.505 277 HD13 ILE 37 2HD1 ILE 37 0.804 -2.132 -3.201 278 H ILE 38 H ILE 38 1.041 -2.628 1.895 279 HA ILE 38 HA ILE 38 -0.274 -4.736 3.363 280 HB ILE 38 HB ILE 38 0.734 -2.039 4.260 281 HG12 ILE 38 2HG1 ILE 38 1.692 -4.867 4.721 282 HG13 ILE 38 1HG1 ILE 38 2.503 -3.634 3.762 283 HG21 ILE 38 1HG2 ILE 38 -0.546 -4.238 5.881 284 HG22 ILE 38 2HG2 ILE 38 -1.182 -2.612 5.618 285 HG23 ILE 38 3HG2 ILE 38 0.294 -2.841 6.557 286 HD11 ILE 38 3HD1 ILE 38 2.058 -3.549 6.740 287 HD12 ILE 38 1HD1 ILE 38 2.872 -2.313 5.780 288 HD13 ILE 38 2HD1 ILE 38 3.577 -3.924 5.923 289 H PHE 39 H PHE 39 -2.354 -4.936 2.788 290 HA PHE 39 HA PHE 39 -4.131 -2.641 2.891 291 HB2 PHE 39 2HB PHE 39 -4.684 -5.591 2.548 292 HB3 PHE 39 1HB PHE 39 -5.941 -4.366 2.615 293 HD1 PHE 39 2HD PHE 39 -4.757 -2.214 0.961 294 HD2 PHE 39 1HD PHE 39 -4.789 -6.436 0.423 295 HE1 PHE 39 2HE PHE 39 -4.571 -1.899 -1.485 296 HE2 PHE 39 1HE PHE 39 -4.602 -6.134 -2.006 297 HZ PHE 39 HZ PHE 39 -4.484 -3.877 -2.954 298 H HIS 40 H HIS 40 -5.285 -2.040 4.630 299 HA HIS 40 HA HIS 40 -4.840 -3.586 7.087 300 HB2 HIS 40 2HB HIS 40 -5.850 -0.741 6.829 301 HB3 HIS 40 1HB HIS 40 -5.328 -1.544 8.307 302 HD1 HIS 40 1HD HIS 40 -2.881 -1.311 8.913 303 HD2 HIS 40 2HD HIS 40 -3.670 -0.276 4.959 304 HE1 HIS 40 1HE HIS 40 -0.727 -0.370 7.985 305 HE2 HIS 40 2HE HIS 40 -1.343 0.526 5.729 306 H THR 41 H THR 41 -6.398 -4.966 7.473 307 HA THR 41 HA THR 41 -8.913 -4.806 6.162 308 HB THR 41 HB THR 41 -9.490 -6.826 7.503 309 HG1 THR 41 1HG THR 41 -6.796 -6.704 8.416 310 HG21 THR 41 3HG2 THR 41 -7.850 -8.286 6.419 311 HG22 THR 41 1HG2 THR 41 -6.823 -6.891 6.084 312 HG23 THR 41 2HG2 THR 41 -8.410 -7.026 5.320 313 H LYS 42 H LYS 42 -11.000 -4.761 7.131 314 HA LYS 42 HA LYS 42 -11.356 -2.964 9.267 315 HB2 LYS 42 2HB LYS 42 -13.706 -3.545 9.035 316 HB3 LYS 42 1HB LYS 42 -12.991 -3.284 7.465 317 HG2 LYS 42 2HG LYS 42 -14.233 -5.139 7.033 318 HG3 LYS 42 1HG LYS 42 -12.721 -5.902 7.524 319 HD2 LYS 42 2HD LYS 42 -13.581 -6.313 9.732 320 HD3 LYS 42 1HD LYS 42 -15.033 -5.375 9.386 321 HE2 LYS 42 2HE LYS 42 -14.246 -7.906 7.947 322 HE3 LYS 42 1HE LYS 42 -15.379 -7.835 9.296 323 HZ1 LYS 42 3HZ LYS 42 -15.711 -6.566 6.630 324 HZ2 LYS 42 1HZ LYS 42 -16.761 -6.312 7.937 325 HZ3 LYS 42 2HZ LYS 42 -16.605 -7.861 7.262 326 H LYS 43 H LYS 43 -10.268 -6.049 9.214 327 HA LYS 43 HA LYS 43 -11.321 -6.847 11.787 328 HB2 LYS 43 2HB LYS 43 -10.901 -8.428 9.815 329 HB3 LYS 43 1HB LYS 43 -9.192 -8.245 10.175 330 HG2 LYS 43 2HG LYS 43 -9.471 -9.232 12.332 331 HG3 LYS 43 1HG LYS 43 -11.226 -9.245 12.150 332 HD2 LYS 43 2HD LYS 43 -10.909 -10.747 10.160 333 HD3 LYS 43 1HD LYS 43 -9.206 -10.864 10.604 334 HE2 LYS 43 2HE LYS 43 -9.737 -11.907 12.677 335 HE3 LYS 43 1HE LYS 43 -11.454 -11.554 12.487 336 HZ1 LYS 43 3HZ LYS 43 -11.158 -13.815 11.942 337 HZ2 LYS 43 1HZ LYS 43 -9.830 -13.499 10.931 338 HZ3 LYS 43 2HZ LYS 43 -11.387 -13.006 10.472 339 H LYS 44 H LYS 44 -9.104 -4.775 10.678 340 HA LYS 44 HA LYS 44 -7.603 -3.446 11.691 341 HB2 LYS 44 2HB LYS 44 -8.196 -5.049 14.184 342 HB3 LYS 44 1HB LYS 44 -7.325 -3.517 14.126 343 HG2 LYS 44 2HG LYS 44 -9.322 -2.428 13.213 344 HG3 LYS 44 1HG LYS 44 -10.188 -3.961 13.305 345 HD2 LYS 44 2HD LYS 44 -9.782 -3.973 15.756 346 HD3 LYS 44 1HD LYS 44 -9.082 -2.360 15.606 347 HE2 LYS 44 2HE LYS 44 -11.200 -1.551 14.658 348 HE3 LYS 44 1HE LYS 44 -11.892 -3.160 14.860 349 HZ1 LYS 44 3HZ LYS 44 -11.115 -1.212 16.946 350 HZ2 LYS 44 1HZ LYS 44 -11.286 -2.866 17.303 351 HZ3 LYS 44 2HZ LYS 44 -12.606 -1.982 16.708 352 H LEU 45 H LEU 45 -7.029 -6.297 10.682 353 HA LEU 45 HA LEU 45 -4.293 -6.460 11.749 354 HB2 LEU 45 2HB LEU 45 -5.940 -8.491 10.229 355 HB3 LEU 45 1HB LEU 45 -4.248 -8.709 10.633 356 HG LEU 45 HG LEU 45 -6.493 -8.408 12.630 357 HD11 LEU 45 1HD1 LEU 45 -6.048 -10.774 13.109 358 HD12 LEU 45 2HD1 LEU 45 -4.893 -10.822 11.780 359 HD13 LEU 45 3HD1 LEU 45 -6.601 -10.530 11.454 360 HD21 LEU 45 3HD2 LEU 45 -4.812 -8.966 14.298 361 HD22 LEU 45 1HD2 LEU 45 -4.345 -7.507 13.425 362 HD23 LEU 45 2HD2 LEU 45 -3.573 -9.045 13.046 363 H SER 46 H SER 46 -2.571 -6.114 10.432 364 HA SER 46 HA SER 46 -3.121 -4.977 7.838 365 HB2 SER 46 2HB SER 46 -0.615 -4.551 7.848 366 HB3 SER 46 1HB SER 46 -1.532 -3.763 9.129 367 HG SER 46 HG SER 46 0.527 -4.975 9.647 368 H VAL 47 H VAL 47 -3.117 -6.084 6.026 369 HA VAL 47 HA VAL 47 -1.853 -8.736 5.987 370 HB VAL 47 HB VAL 47 -3.985 -7.574 4.175 371 HG11 VAL 47 1HG1 VAL 47 -2.589 -9.183 2.992 372 HG12 VAL 47 2HG1 VAL 47 -4.197 -9.845 3.283 373 HG13 VAL 47 3HG1 VAL 47 -2.836 -10.360 4.279 374 HG21 VAL 47 3HG2 VAL 47 -4.186 -9.674 6.329 375 HG22 VAL 47 1HG2 VAL 47 -5.491 -9.149 5.270 376 HG23 VAL 47 2HG2 VAL 47 -4.797 -8.021 6.437 377 H CYS 48 H CYS 48 -0.048 -9.008 4.784 378 HA CYS 48 HA CYS 48 0.901 -6.764 3.217 379 HB2 CYS 48 2HB CYS 48 2.326 -9.390 3.647 380 HB3 CYS 48 1HB CYS 48 3.026 -7.827 3.243 381 H ALA 49 H ALA 49 -0.560 -6.816 1.535 382 HA ALA 49 HA ALA 49 -1.195 -9.187 0.099 383 HB1 ALA 49 1HB ALA 49 -2.401 -7.665 -1.402 384 HB2 ALA 49 2HB ALA 49 -1.647 -6.280 -0.602 385 HB3 ALA 49 3HB ALA 49 -2.754 -7.321 0.293 386 H ASN 50 H ASN 50 -0.567 -9.848 -1.927 387 HA ASN 50 HA ASN 50 2.160 -9.185 -2.574 388 HB2 ASN 50 2HB ASN 50 0.472 -10.978 -4.283 389 HB3 ASN 50 1HB ASN 50 2.191 -11.076 -3.945 390 HD21 ASN 50 1HD2 ASN 50 1.265 -10.699 -0.953 391 HD22 ASN 50 2HD2 ASN 50 0.854 -12.333 -0.527 392 HA PRO 51 HA PRO 51 0.973 -6.294 -5.808 393 HB2 PRO 51 2HB PRO 51 3.822 -6.397 -6.511 394 HB3 PRO 51 1HB PRO 51 2.848 -5.024 -5.979 395 HG2 PRO 51 2HG PRO 51 4.721 -6.117 -4.403 396 HG3 PRO 51 1HG PRO 51 3.212 -5.459 -3.745 397 HD2 PRO 51 2HD PRO 51 3.949 -8.313 -4.301 398 HD3 PRO 51 1HD PRO 51 3.135 -7.621 -2.874 399 H LYS 52 H LYS 52 1.472 -9.406 -6.041 400 HA LYS 52 HA LYS 52 2.202 -9.583 -8.877 401 HB2 LYS 52 2HB LYS 52 1.803 -11.734 -6.779 402 HB3 LYS 52 1HB LYS 52 2.336 -12.015 -8.434 403 HG2 LYS 52 2HG LYS 52 4.369 -10.738 -8.005 404 HG3 LYS 52 1HG LYS 52 3.817 -10.415 -6.359 405 HD2 LYS 52 2HD LYS 52 5.396 -12.230 -6.318 406 HD3 LYS 52 1HD LYS 52 3.789 -12.853 -5.937 407 HE2 LYS 52 2HE LYS 52 3.554 -13.553 -8.303 408 HE3 LYS 52 1HE LYS 52 5.213 -13.031 -8.589 409 HZ1 LYS 52 3HZ LYS 52 4.280 -15.237 -6.837 410 HZ2 LYS 52 1HZ LYS 52 5.863 -14.626 -6.789 411 HZ3 LYS 52 2HZ LYS 52 5.273 -15.341 -8.210 412 H GLN 53 H GLN 53 -0.506 -9.673 -6.798 413 HA GLN 53 HA GLN 53 -1.980 -11.473 -8.576 414 HB2 GLN 53 2HB GLN 53 -3.555 -11.468 -6.468 415 HB3 GLN 53 1HB GLN 53 -2.093 -12.448 -6.503 416 HG2 GLN 53 2HG GLN 53 -0.924 -10.526 -5.358 417 HG3 GLN 53 1HG GLN 53 -2.514 -9.812 -5.127 418 HE21 GLN 53 1HE2 GLN 53 -2.270 -9.893 -2.900 419 HE22 GLN 53 2HE2 GLN 53 -2.402 -11.386 -2.030 420 H THR 54 H THR 54 -4.098 -11.003 -9.232 421 HA THR 54 HA THR 54 -4.314 -8.274 -10.037 422 HB THR 54 HB THR 54 -6.591 -9.232 -10.996 423 HG1 THR 54 1HG THR 54 -6.730 -11.267 -10.274 424 HG21 THR 54 3HG2 THR 54 -4.751 -8.459 -12.359 425 HG22 THR 54 1HG2 THR 54 -5.320 -10.011 -12.975 426 HG23 THR 54 2HG2 THR 54 -3.837 -9.930 -12.022 427 H TRP 55 H TRP 55 -5.976 -10.251 -7.644 428 HA TRP 55 HA TRP 55 -8.106 -8.470 -7.208 429 HB2 TRP 55 2HB TRP 55 -8.574 -9.622 -5.212 430 HB3 TRP 55 1HB TRP 55 -7.981 -10.820 -6.345 431 HD1 TRP 55 HD TRP 55 -5.676 -11.945 -5.753 432 HE1 TRP 55 1HE TRP 55 -4.342 -12.116 -3.630 433 HE3 TRP 55 3HE TRP 55 -7.885 -8.256 -3.285 434 HZ2 TRP 55 2HZ TRP 55 -4.236 -10.777 -1.113 435 HZ3 TRP 55 3HZ TRP 55 -7.150 -7.716 -1.112 436 HH2 TRP 55 HH TRP 55 -5.384 -8.917 0.017 437 H VAL 56 H VAL 56 -4.843 -8.573 -6.084 438 HA VAL 56 HA VAL 56 -5.055 -6.378 -4.292 439 HB VAL 56 HB VAL 56 -2.765 -7.827 -5.586 440 HG11 VAL 56 1HG1 VAL 56 -1.191 -6.398 -4.435 441 HG12 VAL 56 2HG1 VAL 56 -2.508 -5.389 -3.837 442 HG13 VAL 56 3HG1 VAL 56 -2.159 -5.451 -5.566 443 HG21 VAL 56 3HG2 VAL 56 -3.825 -8.851 -3.678 444 HG22 VAL 56 1HG2 VAL 56 -3.632 -7.370 -2.742 445 HG23 VAL 56 2HG2 VAL 56 -2.211 -8.291 -3.237 446 H LYS 57 H LYS 57 -3.992 -6.747 -7.653 447 HA LYS 57 HA LYS 57 -3.258 -4.082 -8.078 448 HB2 LYS 57 2HB LYS 57 -4.327 -6.076 -10.074 449 HB3 LYS 57 1HB LYS 57 -3.496 -4.581 -10.474 450 HG2 LYS 57 2HG LYS 57 -1.521 -5.450 -9.198 451 HG3 LYS 57 1HG LYS 57 -2.364 -6.994 -9.086 452 HD2 LYS 57 2HD LYS 57 -2.471 -7.102 -11.530 453 HD3 LYS 57 1HD LYS 57 -1.601 -5.572 -11.636 454 HE2 LYS 57 2HE LYS 57 0.264 -6.667 -10.361 455 HE3 LYS 57 1HE LYS 57 -0.597 -8.194 -10.537 456 HZ1 LYS 57 3HZ LYS 57 -0.518 -7.778 -12.999 457 HZ2 LYS 57 1HZ LYS 57 0.984 -8.083 -12.272 458 HZ3 LYS 57 2HZ LYS 57 0.551 -6.499 -12.688 459 H TYR 58 H TYR 58 -6.384 -5.690 -8.312 460 HA TYR 58 HA TYR 58 -7.823 -3.524 -9.380 461 HB2 TYR 58 2HB TYR 58 -8.993 -5.527 -9.441 462 HB3 TYR 58 1HB TYR 58 -8.531 -5.968 -7.800 463 HD1 TYR 58 1HD TYR 58 -10.511 -3.309 -9.555 464 HD2 TYR 58 2HD TYR 58 -10.138 -5.864 -6.177 465 HE1 TYR 58 1HE TYR 58 -12.656 -2.472 -8.692 466 HE2 TYR 58 2HE TYR 58 -12.282 -5.048 -5.312 467 HH TYR 58 HH TYR 58 -14.498 -3.400 -7.112 468 H ILE 59 H ILE 59 -7.232 -4.532 -6.015 469 HA ILE 59 HA ILE 59 -8.767 -2.433 -4.893 470 HB ILE 59 HB ILE 59 -6.622 -4.092 -3.568 471 HG12 ILE 59 2HG1 ILE 59 -9.633 -4.427 -3.627 472 HG13 ILE 59 1HG1 ILE 59 -8.489 -5.407 -4.537 473 HG21 ILE 59 1HG2 ILE 59 -7.112 -2.031 -2.342 474 HG22 ILE 59 2HG2 ILE 59 -7.725 -3.438 -1.471 475 HG23 ILE 59 3HG2 ILE 59 -8.832 -2.410 -2.380 476 HD11 ILE 59 3HD1 ILE 59 -7.524 -6.214 -2.446 477 HD12 ILE 59 1HD1 ILE 59 -9.248 -6.567 -2.555 478 HD13 ILE 59 2HD1 ILE 59 -8.682 -5.237 -1.541 479 H VAL 60 H VAL 60 -5.254 -2.852 -5.359 480 HA VAL 60 HA VAL 60 -4.533 -0.425 -4.088 481 HB VAL 60 HB VAL 60 -2.916 -2.257 -4.467 482 HG11 VAL 60 1HG1 VAL 60 -3.545 -2.872 -6.740 483 HG12 VAL 60 2HG1 VAL 60 -1.825 -2.506 -6.634 484 HG13 VAL 60 3HG1 VAL 60 -2.935 -1.329 -7.337 485 HG21 VAL 60 3HG2 VAL 60 -2.123 0.412 -5.625 486 HG22 VAL 60 1HG2 VAL 60 -0.998 -0.829 -5.073 487 HG23 VAL 60 2HG2 VAL 60 -2.087 -0.050 -3.922 488 H ARG 61 H ARG 61 -5.371 -1.172 -7.438 489 HA ARG 61 HA ARG 61 -4.667 1.349 -8.521 490 HB2 ARG 61 2HB ARG 61 -5.062 -0.515 -10.004 491 HB3 ARG 61 1HB ARG 61 -6.703 -0.706 -9.408 492 HG2 ARG 61 2HG ARG 61 -7.369 1.374 -10.427 493 HG3 ARG 61 1HG ARG 61 -5.708 1.709 -10.912 494 HD2 ARG 61 2HD ARG 61 -7.297 -0.678 -11.852 495 HD3 ARG 61 1HD ARG 61 -7.183 0.841 -12.742 496 HE ARG 61 HE ARG 61 -4.608 -0.184 -12.111 497 HH11 ARG 61 1HH1 ARG 61 -7.300 -0.605 -14.312 498 HH12 ARG 61 2HH1 ARG 61 -6.320 -1.260 -15.589 499 HH21 ARG 61 1HH2 ARG 61 -3.313 -1.080 -13.788 500 HH22 ARG 61 2HH2 ARG 61 -4.055 -1.540 -15.293 501 H LEU 62 H LEU 62 -7.492 0.110 -6.883 502 HA LEU 62 HA LEU 62 -9.115 2.431 -7.296 503 HB2 LEU 62 2HB LEU 62 -9.964 0.123 -6.776 504 HB3 LEU 62 1HB LEU 62 -9.341 0.315 -5.152 505 HG LEU 62 HG LEU 62 -10.878 2.265 -4.857 506 HD11 LEU 62 1HD1 LEU 62 -11.962 1.314 -7.503 507 HD12 LEU 62 2HD1 LEU 62 -11.160 2.852 -7.192 508 HD13 LEU 62 3HD1 LEU 62 -12.722 2.509 -6.450 509 HD21 LEU 62 3HD2 LEU 62 -12.149 -0.376 -5.573 510 HD22 LEU 62 1HD2 LEU 62 -12.898 0.896 -4.607 511 HD23 LEU 62 2HD2 LEU 62 -11.464 0.063 -4.007 512 H LEU 63 H LEU 63 -6.938 1.286 -4.763 513 HA LEU 63 HA LEU 63 -7.494 3.361 -2.918 514 HB2 LEU 63 2HB LEU 63 -5.575 1.167 -3.141 515 HB3 LEU 63 1HB LEU 63 -4.966 2.563 -2.275 516 HG LEU 63 HG LEU 63 -5.926 0.958 -0.722 517 HD11 LEU 63 1HD1 LEU 63 -6.105 3.312 -0.151 518 HD12 LEU 63 2HD1 LEU 63 -7.526 2.436 0.416 519 HD13 LEU 63 3HD1 LEU 63 -7.626 3.430 -1.037 520 HD21 LEU 63 3HD2 LEU 63 -7.520 -0.121 -2.219 521 HD22 LEU 63 1HD2 LEU 63 -8.497 1.346 -2.251 522 HD23 LEU 63 2HD2 LEU 63 -8.313 0.441 -0.749 523 H SER 64 H SER 64 -5.397 3.137 -5.677 524 HA SER 64 HA SER 64 -4.198 5.725 -5.020 525 HB2 SER 64 2HB SER 64 -2.813 5.265 -7.104 526 HB3 SER 64 1HB SER 64 -2.554 4.161 -5.753 527 HG SER 64 HG SER 64 -3.710 2.605 -6.789 528 H LYS 65 H LYS 65 -7.017 4.929 -6.067 529 HA LYS 65 HA LYS 65 -7.089 6.711 -8.390 530 HB2 LYS 65 2HB LYS 65 -8.100 4.401 -8.512 531 HB3 LYS 65 1HB LYS 65 -9.287 4.927 -7.332 532 HG2 LYS 65 2HG LYS 65 -10.205 6.518 -8.860 533 HG3 LYS 65 1HG LYS 65 -8.903 6.222 -10.017 534 HD2 LYS 65 2HD LYS 65 -9.659 3.966 -10.368 535 HD3 LYS 65 1HD LYS 65 -10.871 4.131 -9.096 536 HE2 LYS 65 2HE LYS 65 -11.844 4.319 -11.342 537 HE3 LYS 65 1HE LYS 65 -12.052 5.795 -10.405 538 HZ1 LYS 65 3HZ LYS 65 -10.208 6.780 -11.597 539 HZ2 LYS 65 1HZ LYS 65 -11.387 6.250 -12.686 540 HZ3 LYS 65 2HZ LYS 65 -9.960 5.354 -12.476 541 H LYS 66 H LYS 66 -7.118 7.090 -5.263 542 HA LYS 66 HA LYS 66 -9.450 8.745 -4.909 543 HB2 LYS 66 2HB LYS 66 -8.382 9.342 -2.717 544 HB3 LYS 66 1HB LYS 66 -8.666 7.623 -2.946 545 HG2 LYS 66 2HG LYS 66 -6.301 7.325 -3.522 546 HG3 LYS 66 1HG LYS 66 -6.029 9.049 -3.251 547 HD2 LYS 66 2HD LYS 66 -7.087 7.132 -1.174 548 HD3 LYS 66 1HD LYS 66 -5.398 7.625 -1.311 549 HE2 LYS 66 2HE LYS 66 -7.685 9.550 -0.924 550 HE3 LYS 66 1HE LYS 66 -6.734 8.882 0.399 551 HZ1 LYS 66 3HZ LYS 66 -5.524 10.375 -1.854 552 HZ2 LYS 66 1HZ LYS 66 -4.800 9.947 -0.385 553 HZ3 LYS 66 2HZ LYS 66 -6.022 11.119 -0.414 554 H VAL 67 H VAL 67 -8.606 9.755 -7.031 555 HA VAL 67 HA VAL 67 -6.720 11.941 -6.506 556 HB VAL 67 HB VAL 67 -6.540 12.116 -8.958 557 HG11 VAL 67 1HG1 VAL 67 -4.998 10.643 -7.773 558 HG12 VAL 67 2HG1 VAL 67 -5.388 9.985 -9.362 559 HG13 VAL 67 3HG1 VAL 67 -6.141 9.306 -7.919 560 HG21 VAL 67 3HG2 VAL 67 -7.585 10.418 -10.399 561 HG22 VAL 67 1HG2 VAL 67 -8.799 11.376 -9.547 562 HG23 VAL 67 2HG2 VAL 67 -8.416 9.742 -8.998 563 H LYS 68 H LYS 68 -7.312 13.923 -8.016 564 HA LYS 68 HA LYS 68 -9.946 14.784 -7.245 565 HB2 LYS 68 2HB LYS 68 -7.979 16.329 -7.298 566 HB3 LYS 68 1HB LYS 68 -7.958 16.185 -9.050 567 HG2 LYS 68 2HG LYS 68 -10.190 17.171 -9.160 568 HG3 LYS 68 1HG LYS 68 -10.216 17.306 -7.401 569 HD2 LYS 68 2HD LYS 68 -9.625 19.442 -8.315 570 HD3 LYS 68 1HD LYS 68 -8.197 18.751 -7.540 571 HE2 LYS 68 2HE LYS 68 -7.384 18.007 -9.733 572 HE3 LYS 68 1HE LYS 68 -8.799 18.727 -10.498 573 HZ1 LYS 68 3HZ LYS 68 -6.988 20.237 -10.703 574 HZ2 LYS 68 1HZ LYS 68 -6.628 20.142 -9.048 575 HZ3 LYS 68 2HZ LYS 68 -8.060 20.891 -9.563 576 H ASN 69 H ASN 69 -11.420 13.542 -8.283 577 HA ASN 69 HA ASN 69 -11.231 13.233 -11.191 578 HB2 ASN 69 2HB ASN 69 -11.557 11.204 -9.778 579 HB3 ASN 69 1HB ASN 69 -13.095 11.865 -9.238 580 HD21 ASN 69 1HD2 ASN 69 -11.760 12.058 -12.485 581 HD22 ASN 69 2HD2 ASN 69 -12.982 11.094 -13.236 582 H MET 70 H MET 70 -13.718 13.911 -8.744 583 HA MET 70 HA MET 70 -14.894 15.871 -10.568 584 HB2 MET 70 2HB MET 70 -16.119 13.690 -10.806 585 HB3 MET 70 1HB MET 70 -16.528 13.789 -9.101 586 HG2 MET 70 2HG MET 70 -18.401 14.538 -10.369 587 HG3 MET 70 1HG MET 70 -17.691 15.926 -9.548 588 HE1 MET 70 3HE MET 70 -18.977 17.627 -11.066 589 HE2 MET 70 1HE MET 70 -19.768 16.290 -11.903 590 HE3 MET 70 2HE MET 70 -18.986 17.571 -12.830 Start of MODEL 12 1 H1 ALA 1 1HT ALA 1 16.351 6.114 7.878 2 H2 ALA 1 2HT ALA 1 17.943 6.526 7.479 3 H3 ALA 1 3HT ALA 1 17.260 5.104 6.864 4 HA ALA 1 HA ALA 1 16.388 7.861 6.232 5 HB1 ALA 1 1HB ALA 1 17.304 7.450 4.017 6 HB2 ALA 1 2HB ALA 1 17.841 5.847 4.523 7 HB3 ALA 1 3HB ALA 1 18.552 7.288 5.251 8 H SER 2 H SER 2 15.658 4.504 6.324 9 HA SER 2 HA SER 2 13.704 4.413 4.274 10 HB2 SER 2 2HB SER 2 13.898 2.718 6.781 11 HB3 SER 2 1HB SER 2 13.061 2.301 5.283 12 HG SER 2 HG SER 2 14.951 1.956 4.289 13 H ASN 3 H ASN 3 11.727 5.284 4.245 14 HA ASN 3 HA ASN 3 10.567 6.601 6.484 15 HB2 ASN 3 2HB ASN 3 10.026 7.315 4.207 16 HB3 ASN 3 1HB ASN 3 9.332 5.738 3.855 17 HD21 ASN 3 1HD2 ASN 3 7.314 6.473 3.373 18 HD22 ASN 3 2HD2 ASN 3 6.234 7.156 4.549 19 H PHE 4 H PHE 4 9.935 3.544 4.836 20 HA PHE 4 HA PHE 4 8.577 2.603 7.267 21 HB2 PHE 4 2HB PHE 4 7.094 1.223 5.774 22 HB3 PHE 4 1HB PHE 4 6.803 2.948 5.697 23 HD1 PHE 4 1HD PHE 4 8.987 0.456 3.991 24 HD2 PHE 4 2HD PHE 4 6.376 3.794 3.631 25 HE1 PHE 4 1HE PHE 4 9.233 0.384 1.551 26 HE2 PHE 4 2HE PHE 4 6.616 3.726 1.187 27 HZ PHE 4 HZ PHE 4 8.051 2.003 0.152 28 H ASP 5 H ASP 5 8.190 0.078 6.816 29 HA ASP 5 HA ASP 5 10.542 -1.077 5.538 30 HB2 ASP 5 2HB ASP 5 10.547 -2.829 7.401 31 HB3 ASP 5 1HB ASP 5 11.186 -1.241 7.796 32 H CYS 6 H CYS 6 9.760 -2.154 3.890 33 HA CYS 6 HA CYS 6 7.494 -3.280 3.205 34 HB2 CYS 6 2HB CYS 6 8.698 -4.958 1.978 35 HB3 CYS 6 1HB CYS 6 9.681 -3.500 2.010 36 H CYS 7 H CYS 7 6.371 -5.236 3.475 37 HA CYS 7 HA CYS 7 6.226 -6.261 6.079 38 HB2 CYS 7 2HB CYS 7 4.339 -6.325 4.477 39 HB3 CYS 7 1HB CYS 7 5.211 -7.513 3.516 40 H LEU 8 H LEU 8 6.717 -8.350 6.855 41 HA LEU 8 HA LEU 8 9.305 -9.276 6.064 42 HB2 LEU 8 2HB LEU 8 7.366 -10.514 8.023 43 HB3 LEU 8 1HB LEU 8 9.090 -10.815 7.925 44 HG LEU 8 HG LEU 8 7.854 -8.161 8.662 45 HD11 LEU 8 1HD1 LEU 8 7.426 -9.832 10.373 46 HD12 LEU 8 2HD1 LEU 8 8.628 -8.666 10.926 47 HD13 LEU 8 3HD1 LEU 8 9.133 -10.269 10.390 48 HD21 LEU 8 3HD2 LEU 8 10.709 -9.126 8.759 49 HD22 LEU 8 1HD2 LEU 8 10.124 -7.558 9.315 50 HD23 LEU 8 2HD2 LEU 8 10.048 -7.970 7.600 51 H GLY 9 H GLY 9 6.411 -9.732 4.713 52 HA2 GLY 9 2HA GLY 9 7.241 -11.797 3.009 53 HA3 GLY 9 1HA GLY 9 6.162 -12.471 4.227 54 H TYR 10 H TYR 10 4.626 -12.916 2.556 55 HA TYR 10 HA TYR 10 2.987 -10.550 2.008 56 HB2 TYR 10 2HB TYR 10 3.570 -12.707 -0.027 57 HB3 TYR 10 1HB TYR 10 2.450 -11.382 -0.240 58 HD1 TYR 10 2HD TYR 10 6.043 -12.193 0.167 59 HD2 TYR 10 1HD TYR 10 3.200 -9.265 -1.091 60 HE1 TYR 10 2HE TYR 10 7.852 -10.877 -0.852 61 HE2 TYR 10 1HE TYR 10 5.010 -7.964 -2.108 62 HH TYR 10 HH TYR 10 7.306 -7.671 -2.111 63 H THR 11 H THR 11 0.878 -11.678 0.773 64 HA THR 11 HA THR 11 0.020 -13.844 2.571 65 HB THR 11 HB THR 11 -0.919 -11.603 3.197 66 HG1 THR 11 1HG THR 11 -2.100 -13.383 3.829 67 HG21 THR 11 3HG2 THR 11 -1.188 -10.654 0.960 68 HG22 THR 11 1HG2 THR 11 -2.726 -10.675 1.823 69 HG23 THR 11 2HG2 THR 11 -2.399 -11.881 0.581 70 H ASP 12 H ASP 12 -1.069 -15.494 1.651 71 HA ASP 12 HA ASP 12 -1.422 -15.417 -1.258 72 HB2 ASP 12 2HB ASP 12 -1.211 -17.720 0.689 73 HB3 ASP 12 1HB ASP 12 -1.592 -17.920 -1.018 74 H ARG 13 H ARG 13 -3.395 -14.019 -0.327 75 HA ARG 13 HA ARG 13 -5.695 -15.855 -0.072 76 HB2 ARG 13 2HB ARG 13 -5.300 -13.134 1.186 77 HB3 ARG 13 1HB ARG 13 -6.841 -13.971 1.132 78 HG2 ARG 13 2HG ARG 13 -4.375 -15.096 2.460 79 HG3 ARG 13 1HG ARG 13 -5.634 -14.190 3.302 80 HD2 ARG 13 2HD ARG 13 -6.087 -16.507 3.625 81 HD3 ARG 13 1HD ARG 13 -7.280 -15.889 2.486 82 HE ARG 13 HE ARG 13 -4.882 -17.226 1.450 83 HH11 ARG 13 1HH1 ARG 13 -8.351 -17.302 2.008 84 HH12 ARG 13 2HH1 ARG 13 -8.630 -18.556 0.830 85 HH21 ARG 13 1HH2 ARG 13 -5.255 -18.837 -0.103 86 HH22 ARG 13 2HH2 ARG 13 -6.868 -19.439 -0.364 87 H ILE 14 H ILE 14 -7.773 -14.557 -0.490 88 HA ILE 14 HA ILE 14 -7.444 -12.555 -2.613 89 HB ILE 14 HB ILE 14 -9.628 -14.629 -2.323 90 HG12 ILE 14 2HG1 ILE 14 -7.336 -15.101 -3.522 91 HG13 ILE 14 1HG1 ILE 14 -8.849 -15.657 -4.231 92 HG21 ILE 14 1HG2 ILE 14 -10.675 -13.609 -4.303 93 HG22 ILE 14 2HG2 ILE 14 -9.491 -12.304 -4.231 94 HG23 ILE 14 3HG2 ILE 14 -10.643 -12.518 -2.915 95 HD11 ILE 14 3HD1 ILE 14 -7.275 -13.215 -5.011 96 HD12 ILE 14 1HD1 ILE 14 -8.870 -13.632 -5.642 97 HD13 ILE 14 2HD1 ILE 14 -7.493 -14.696 -5.945 98 H LEU 15 H LEU 15 -7.451 -10.921 -0.988 99 HA LEU 15 HA LEU 15 -9.764 -10.732 0.765 100 HB2 LEU 15 2HB LEU 15 -7.324 -8.983 0.426 101 HB3 LEU 15 1HB LEU 15 -8.649 -8.580 1.507 102 HG LEU 15 HG LEU 15 -7.039 -9.512 2.904 103 HD11 LEU 15 1HD1 LEU 15 -9.215 -10.509 3.310 104 HD12 LEU 15 2HD1 LEU 15 -7.930 -11.665 3.652 105 HD13 LEU 15 3HD1 LEU 15 -8.860 -11.794 2.158 106 HD21 LEU 15 3HD2 LEU 15 -5.554 -10.322 1.150 107 HD22 LEU 15 1HD2 LEU 15 -6.620 -11.699 0.875 108 HD23 LEU 15 2HD2 LEU 15 -5.775 -11.532 2.416 109 H HIS 16 H HIS 16 -10.973 -8.654 0.837 110 HA HIS 16 HA HIS 16 -11.208 -7.488 -1.858 111 HB2 HIS 16 2HB HIS 16 -13.512 -8.346 -0.101 112 HB3 HIS 16 1HB HIS 16 -13.647 -7.548 -1.661 113 HD1 HIS 16 1HD HIS 16 -15.073 -10.117 -1.346 114 HD2 HIS 16 2HD HIS 16 -11.122 -9.937 -2.577 115 HE1 HIS 16 1HE HIS 16 -14.643 -12.254 -2.504 116 HE2 HIS 16 2HE HIS 16 -12.395 -11.962 -3.592 117 HA PRO 17 HA PRO 17 -12.017 -3.538 0.220 118 HB2 PRO 17 2HB PRO 17 -14.604 -2.996 -0.702 119 HB3 PRO 17 1HB PRO 17 -13.109 -2.491 -1.495 120 HG2 PRO 17 2HG PRO 17 -14.897 -4.794 -2.099 121 HG3 PRO 17 1HG PRO 17 -13.955 -3.779 -3.206 122 HD2 PRO 17 2HD PRO 17 -13.178 -6.283 -2.552 123 HD3 PRO 17 1HD PRO 17 -12.005 -4.974 -2.845 124 H LYS 18 H LYS 18 -14.216 -6.161 0.099 125 HA LYS 18 HA LYS 18 -16.020 -5.898 2.113 126 HB2 LYS 18 2HB LYS 18 -14.351 -8.297 1.327 127 HB3 LYS 18 1HB LYS 18 -15.794 -8.410 2.310 128 HG2 LYS 18 2HG LYS 18 -16.247 -6.951 -0.157 129 HG3 LYS 18 1HG LYS 18 -15.674 -8.596 -0.426 130 HD2 LYS 18 2HD LYS 18 -17.984 -7.877 1.367 131 HD3 LYS 18 1HD LYS 18 -18.156 -8.382 -0.314 132 HE2 LYS 18 2HE LYS 18 -16.995 -10.497 0.251 133 HE3 LYS 18 1HE LYS 18 -16.962 -9.989 1.940 134 HZ1 LYS 18 3HZ LYS 18 -19.397 -10.477 0.302 135 HZ2 LYS 18 1HZ LYS 18 -19.405 -9.896 1.899 136 HZ3 LYS 18 2HZ LYS 18 -18.819 -11.451 1.566 137 H PHE 19 H PHE 19 -12.540 -6.236 2.478 138 HA PHE 19 HA PHE 19 -12.892 -6.213 5.411 139 HB2 PHE 19 2HB PHE 19 -10.666 -7.584 3.899 140 HB3 PHE 19 1HB PHE 19 -10.841 -7.525 5.643 141 HD1 PHE 19 1HD PHE 19 -12.679 -8.765 6.743 142 HD2 PHE 19 2HD PHE 19 -11.851 -9.175 2.591 143 HE1 PHE 19 1HE PHE 19 -13.976 -10.853 6.697 144 HE2 PHE 19 2HE PHE 19 -13.147 -11.268 2.533 145 HZ PHE 19 HZ PHE 19 -14.214 -12.106 4.593 146 H ILE 20 H ILE 20 -11.714 -4.560 2.747 147 HA ILE 20 HA ILE 20 -9.300 -3.582 4.057 148 HB ILE 20 HB ILE 20 -10.333 -3.521 1.260 149 HG12 ILE 20 2HG1 ILE 20 -8.104 -4.219 0.686 150 HG13 ILE 20 1HG1 ILE 20 -7.501 -3.842 2.291 151 HG21 ILE 20 1HG2 ILE 20 -9.958 -1.158 1.684 152 HG22 ILE 20 2HG2 ILE 20 -8.742 -1.795 0.581 153 HG23 ILE 20 3HG2 ILE 20 -8.330 -1.502 2.272 154 HD11 ILE 20 3HD1 ILE 20 -8.831 -5.663 3.216 155 HD12 ILE 20 1HD1 ILE 20 -7.739 -6.235 1.955 156 HD13 ILE 20 2HD1 ILE 20 -9.455 -6.024 1.606 157 H VAL 21 H VAL 21 -9.312 -1.839 5.256 158 HA VAL 21 HA VAL 21 -11.197 0.333 4.593 159 HB VAL 21 HB VAL 21 -11.214 0.993 6.942 160 HG11 VAL 21 1HG1 VAL 21 -12.947 -0.516 6.167 161 HG12 VAL 21 2HG1 VAL 21 -12.521 -0.870 7.840 162 HG13 VAL 21 3HG1 VAL 21 -11.931 -1.910 6.542 163 HG21 VAL 21 3HG2 VAL 21 -9.508 -1.453 7.393 164 HG22 VAL 21 1HG2 VAL 21 -10.278 -0.499 8.664 165 HG23 VAL 21 2HG2 VAL 21 -9.039 0.230 7.641 166 H GLY 22 H GLY 22 -8.019 -0.612 4.693 167 HA2 GLY 22 2HA GLY 22 -7.113 2.119 4.301 168 HA3 GLY 22 1HA GLY 22 -6.417 1.282 5.683 169 H PHE 23 H PHE 23 -4.989 2.231 3.374 170 HA PHE 23 HA PHE 23 -3.751 -0.273 2.508 171 HB2 PHE 23 2HB PHE 23 -5.123 -0.120 0.701 172 HB3 PHE 23 1HB PHE 23 -5.283 1.628 0.824 173 HD1 PHE 23 1HD PHE 23 -3.110 -1.111 -0.286 174 HD2 PHE 23 2HD PHE 23 -3.880 3.058 -0.310 175 HE1 PHE 23 1HE PHE 23 -1.471 -0.821 -2.093 176 HE2 PHE 23 2HE PHE 23 -2.250 3.351 -2.139 177 HZ PHE 23 HZ PHE 23 -1.062 1.383 -2.996 178 H THR 24 H THR 24 -1.639 -0.103 2.282 179 HA THR 24 HA THR 24 -0.368 2.499 1.975 180 HB THR 24 HB THR 24 0.388 0.601 4.206 181 HG1 THR 24 1HG THR 24 -0.989 3.100 4.186 182 HG21 THR 24 3HG2 THR 24 1.464 3.338 3.482 183 HG22 THR 24 1HG2 THR 24 2.312 1.807 3.275 184 HG23 THR 24 2HG2 THR 24 1.927 2.391 4.896 185 H ARG 25 H ARG 25 0.828 2.169 0.183 186 HA ARG 25 HA ARG 25 1.803 -0.500 -0.426 187 HB2 ARG 25 2HB ARG 25 2.278 0.285 -2.583 188 HB3 ARG 25 1HB ARG 25 0.841 1.200 -2.130 189 HG2 ARG 25 2HG ARG 25 2.217 3.132 -1.589 190 HG3 ARG 25 1HG ARG 25 3.681 2.217 -1.943 191 HD2 ARG 25 2HD ARG 25 3.351 3.441 -3.879 192 HD3 ARG 25 1HD ARG 25 2.618 1.885 -4.277 193 HE ARG 25 HE ARG 25 0.837 3.915 -3.183 194 HH11 ARG 25 1HH1 ARG 25 2.060 2.256 -6.005 195 HH12 ARG 25 2HH1 ARG 25 0.794 2.806 -7.050 196 HH21 ARG 25 1HH2 ARG 25 -0.817 4.660 -4.522 197 HH22 ARG 25 2HH2 ARG 25 -0.874 4.188 -6.192 198 H GLN 26 H GLN 26 3.922 -1.144 -0.313 199 HA GLN 26 HA GLN 26 5.809 0.889 0.640 200 HB2 GLN 26 2HB GLN 26 6.980 -0.864 1.897 201 HB3 GLN 26 1HB GLN 26 5.336 -0.620 2.449 202 HG2 GLN 26 2HG GLN 26 4.898 -2.625 0.781 203 HG3 GLN 26 1HG GLN 26 6.588 -2.950 1.151 204 HE21 GLN 26 1HE2 GLN 26 6.224 -1.705 3.839 205 HE22 GLN 26 2HE2 GLN 26 5.459 -2.934 4.780 206 H LEU 27 H LEU 27 7.114 1.421 -0.870 207 HA LEU 27 HA LEU 27 7.782 -0.482 -2.989 208 HB2 LEU 27 2HB LEU 27 8.178 2.512 -2.859 209 HB3 LEU 27 1HB LEU 27 8.526 1.495 -4.245 210 HG LEU 27 HG LEU 27 5.784 1.952 -3.060 211 HD11 LEU 27 1HD1 LEU 27 6.681 3.951 -4.138 212 HD12 LEU 27 2HD1 LEU 27 5.355 3.254 -5.070 213 HD13 LEU 27 3HD1 LEU 27 7.023 3.017 -5.595 214 HD21 LEU 27 3HD2 LEU 27 4.970 0.802 -5.044 215 HD22 LEU 27 1HD2 LEU 27 6.038 -0.246 -4.107 216 HD23 LEU 27 2HD2 LEU 27 6.630 0.523 -5.579 217 H ALA 28 H ALA 28 10.002 -0.307 -3.890 218 HA ALA 28 HA ALA 28 11.883 -0.708 -1.750 219 HB1 ALA 28 1HB ALA 28 11.745 -2.252 -3.635 220 HB2 ALA 28 2HB ALA 28 13.356 -1.543 -3.490 221 HB3 ALA 28 3HB ALA 28 12.243 -0.961 -4.730 222 H ASN 29 H ASN 29 10.925 2.093 -2.814 223 HA ASN 29 HA ASN 29 13.597 3.213 -3.350 224 HB2 ASN 29 2HB ASN 29 10.857 4.295 -4.021 225 HB3 ASN 29 1HB ASN 29 12.352 5.186 -4.267 226 HD21 ASN 29 1HD2 ASN 29 10.319 2.642 -5.382 227 HD22 ASN 29 2HD2 ASN 29 11.170 2.308 -6.856 228 H GLU 30 H GLU 30 11.096 3.111 -1.036 229 HA GLU 30 HA GLU 30 12.196 5.464 0.327 230 HB2 GLU 30 2HB GLU 30 9.723 5.972 0.925 231 HB3 GLU 30 1HB GLU 30 10.335 6.440 -0.654 232 HG2 GLU 30 2HG GLU 30 9.424 4.070 -1.347 233 HG3 GLU 30 1HG GLU 30 8.409 4.290 0.075 234 H GLY 31 H GLY 31 12.521 2.590 0.805 235 HA2 GLY 31 2HA GLY 31 12.392 2.655 3.593 236 HA3 GLY 31 1HA GLY 31 10.963 1.801 3.031 237 H CYS 32 H CYS 32 11.232 -0.126 1.850 238 HA CYS 32 HA CYS 32 13.650 -1.559 2.682 239 HB2 CYS 32 2HB CYS 32 11.606 -2.346 3.680 240 HB3 CYS 32 1HB CYS 32 10.840 -2.485 2.102 241 H ASP 33 H ASP 33 14.151 -3.506 1.217 242 HA ASP 33 HA ASP 33 14.501 -2.487 -1.464 243 HB2 ASP 33 2HB ASP 33 15.496 -4.983 -0.082 244 HB3 ASP 33 1HB ASP 33 15.811 -4.637 -1.780 245 H ILE 34 H ILE 34 12.383 -4.719 0.126 246 HA ILE 34 HA ILE 34 11.495 -5.725 -2.481 247 HB ILE 34 HB ILE 34 10.462 -7.529 -1.480 248 HG12 ILE 34 2HG1 ILE 34 10.414 -6.096 1.188 249 HG13 ILE 34 1HG1 ILE 34 9.062 -6.162 0.066 250 HG21 ILE 34 1HG2 ILE 34 12.860 -7.685 -1.115 251 HG22 ILE 34 2HG2 ILE 34 11.978 -8.472 0.193 252 HG23 ILE 34 3HG2 ILE 34 12.689 -6.879 0.445 253 HD11 ILE 34 3HD1 ILE 34 10.334 -8.513 1.452 254 HD12 ILE 34 1HD1 ILE 34 8.991 -8.591 0.312 255 HD13 ILE 34 2HD1 ILE 34 8.786 -7.764 1.856 256 H ASN 35 H ASN 35 9.179 -5.733 -2.936 257 HA ASN 35 HA ASN 35 7.891 -3.375 -1.743 258 HB2 ASN 35 2HB ASN 35 6.679 -3.161 -3.965 259 HB3 ASN 35 1HB ASN 35 8.392 -2.770 -3.979 260 HD21 ASN 35 1HD2 ASN 35 8.667 -3.135 -6.136 261 HD22 ASN 35 2HD2 ASN 35 8.582 -4.704 -6.857 262 H ALA 36 H ALA 36 5.994 -3.622 -0.806 263 HA ALA 36 HA ALA 36 4.272 -5.843 -1.673 264 HB1 ALA 36 1HB ALA 36 4.855 -5.237 1.224 265 HB2 ALA 36 2HB ALA 36 5.469 -6.619 0.314 266 HB3 ALA 36 3HB ALA 36 3.738 -6.459 0.611 267 H ILE 37 H ILE 37 2.040 -5.638 -0.773 268 HA ILE 37 HA ILE 37 1.214 -2.805 -0.759 269 HB ILE 37 HB ILE 37 -0.235 -5.244 -1.788 270 HG12 ILE 37 2HG1 ILE 37 1.503 -4.464 -3.301 271 HG13 ILE 37 1HG1 ILE 37 -0.078 -4.086 -3.970 272 HG21 ILE 37 1HG2 ILE 37 -1.151 -2.404 -1.501 273 HG22 ILE 37 2HG2 ILE 37 -1.896 -3.855 -0.839 274 HG23 ILE 37 3HG2 ILE 37 -1.930 -3.558 -2.578 275 HD11 ILE 37 3HD1 ILE 37 1.436 -2.246 -4.321 276 HD12 ILE 37 1HD1 ILE 37 1.791 -2.168 -2.596 277 HD13 ILE 37 2HD1 ILE 37 0.178 -1.764 -3.180 278 H ILE 38 H ILE 38 0.785 -2.279 1.359 279 HA ILE 38 HA ILE 38 -0.212 -4.315 3.164 280 HB ILE 38 HB ILE 38 0.223 -1.377 3.718 281 HG12 ILE 38 2HG1 ILE 38 2.013 -3.724 4.382 282 HG13 ILE 38 1HG1 ILE 38 2.298 -2.590 3.063 283 HG21 ILE 38 1HG2 ILE 38 0.148 -2.006 6.057 284 HG22 ILE 38 2HG2 ILE 38 -0.107 -3.695 5.618 285 HG23 ILE 38 3HG2 ILE 38 -1.343 -2.492 5.249 286 HD11 ILE 38 3HD1 ILE 38 2.217 -1.913 6.001 287 HD12 ILE 38 1HD1 ILE 38 2.485 -0.767 4.686 288 HD13 ILE 38 2HD1 ILE 38 3.659 -2.045 4.993 289 H PHE 39 H PHE 39 -2.303 -4.845 2.809 290 HA PHE 39 HA PHE 39 -4.278 -2.687 2.702 291 HB2 PHE 39 2HB PHE 39 -4.535 -5.676 2.369 292 HB3 PHE 39 1HB PHE 39 -5.929 -4.614 2.507 293 HD1 PHE 39 2HD PHE 39 -4.936 -2.292 0.867 294 HD2 PHE 39 1HD PHE 39 -4.769 -6.495 0.214 295 HE1 PHE 39 2HE PHE 39 -4.873 -1.907 -1.572 296 HE2 PHE 39 1HE PHE 39 -4.701 -6.121 -2.210 297 HZ PHE 39 HZ PHE 39 -4.742 -3.836 -3.100 298 H HIS 40 H HIS 40 -4.895 -1.879 4.553 299 HA HIS 40 HA HIS 40 -4.576 -3.396 7.012 300 HB2 HIS 40 2HB HIS 40 -5.723 -0.611 6.728 301 HB3 HIS 40 1HB HIS 40 -5.072 -1.358 8.180 302 HD1 HIS 40 1HD HIS 40 -2.708 -0.749 8.721 303 HD2 HIS 40 2HD HIS 40 -3.609 -0.197 4.700 304 HE1 HIS 40 1HE HIS 40 -0.708 0.416 7.711 305 HE2 HIS 40 2HE HIS 40 -1.396 0.961 5.369 306 H THR 41 H THR 41 -6.128 -4.738 7.591 307 HA THR 41 HA THR 41 -8.735 -4.594 6.415 308 HB THR 41 HB THR 41 -9.235 -6.536 7.927 309 HG1 THR 41 1HG THR 41 -6.442 -6.491 8.479 310 HG21 THR 41 3HG2 THR 41 -7.796 -8.106 6.685 311 HG22 THR 41 1HG2 THR 41 -6.821 -6.747 6.126 312 HG23 THR 41 2HG2 THR 41 -8.511 -6.883 5.633 313 H LYS 42 H LYS 42 -10.698 -4.732 7.717 314 HA LYS 42 HA LYS 42 -10.905 -2.612 9.597 315 HB2 LYS 42 2HB LYS 42 -12.685 -3.548 7.978 316 HB3 LYS 42 1HB LYS 42 -12.954 -4.781 9.200 317 HG2 LYS 42 2HG LYS 42 -13.637 -3.152 10.805 318 HG3 LYS 42 1HG LYS 42 -13.169 -1.828 9.736 319 HD2 LYS 42 2HD LYS 42 -14.871 -2.547 8.124 320 HD3 LYS 42 1HD LYS 42 -15.347 -3.849 9.215 321 HE2 LYS 42 2HE LYS 42 -16.878 -1.990 9.432 322 HE3 LYS 42 1HE LYS 42 -15.946 -2.180 10.916 323 HZ1 LYS 42 3HZ LYS 42 -15.305 -0.211 8.779 324 HZ2 LYS 42 1HZ LYS 42 -14.568 -0.335 10.302 325 HZ3 LYS 42 2HZ LYS 42 -16.189 0.152 10.181 326 H LYS 43 H LYS 43 -9.519 -5.501 9.919 327 HA LYS 43 HA LYS 43 -10.362 -5.985 12.661 328 HB2 LYS 43 2HB LYS 43 -8.553 -7.553 10.822 329 HB3 LYS 43 1HB LYS 43 -8.921 -8.016 12.477 330 HG2 LYS 43 2HG LYS 43 -10.929 -7.748 10.256 331 HG3 LYS 43 1HG LYS 43 -10.239 -9.263 10.838 332 HD2 LYS 43 2HD LYS 43 -11.177 -8.774 13.080 333 HD3 LYS 43 1HD LYS 43 -11.947 -7.332 12.412 334 HE2 LYS 43 2HE LYS 43 -13.558 -9.133 12.485 335 HE3 LYS 43 1HE LYS 43 -13.156 -8.779 10.803 336 HZ1 LYS 43 3HZ LYS 43 -12.166 -11.057 12.438 337 HZ2 LYS 43 1HZ LYS 43 -11.556 -10.668 10.906 338 HZ3 LYS 43 2HZ LYS 43 -13.175 -11.131 11.079 339 H LYS 44 H LYS 44 -8.402 -3.915 11.254 340 HA LYS 44 HA LYS 44 -6.588 -2.694 11.843 341 HB2 LYS 44 2HB LYS 44 -6.605 -4.269 14.428 342 HB3 LYS 44 1HB LYS 44 -5.694 -2.798 14.117 343 HG2 LYS 44 2HG LYS 44 -7.777 -1.554 13.864 344 HG3 LYS 44 1HG LYS 44 -8.694 -3.028 14.182 345 HD2 LYS 44 2HD LYS 44 -7.560 -3.196 16.387 346 HD3 LYS 44 1HD LYS 44 -6.793 -1.641 16.068 347 HE2 LYS 44 2HE LYS 44 -9.769 -2.114 16.185 348 HE3 LYS 44 1HE LYS 44 -8.799 -1.472 17.507 349 HZ1 LYS 44 3HZ LYS 44 -8.180 0.392 16.047 350 HZ2 LYS 44 1HZ LYS 44 -9.848 0.315 16.341 351 HZ3 LYS 44 2HZ LYS 44 -9.227 -0.207 14.856 352 H LEU 45 H LEU 45 -6.519 -5.627 10.834 353 HA LEU 45 HA LEU 45 -3.739 -6.253 11.492 354 HB2 LEU 45 2HB LEU 45 -5.795 -7.867 9.973 355 HB3 LEU 45 1HB LEU 45 -4.182 -8.411 10.384 356 HG LEU 45 HG LEU 45 -6.364 -7.763 12.370 357 HD11 LEU 45 1HD1 LEU 45 -6.415 -10.178 12.772 358 HD12 LEU 45 2HD1 LEU 45 -5.268 -10.418 11.453 359 HD13 LEU 45 3HD1 LEU 45 -6.873 -9.773 11.119 360 HD21 LEU 45 3HD2 LEU 45 -4.126 -7.319 13.240 361 HD22 LEU 45 1HD2 LEU 45 -3.619 -8.946 12.785 362 HD23 LEU 45 2HD2 LEU 45 -4.853 -8.718 14.025 363 H SER 46 H SER 46 -2.130 -5.952 10.072 364 HA SER 46 HA SER 46 -2.752 -4.703 7.537 365 HB2 SER 46 2HB SER 46 -0.255 -4.419 7.412 366 HB3 SER 46 1HB SER 46 -0.992 -3.687 8.840 367 HG SER 46 HG SER 46 0.141 -6.291 8.822 368 H VAL 47 H VAL 47 -3.308 -6.066 5.950 369 HA VAL 47 HA VAL 47 -2.076 -8.688 5.732 370 HB VAL 47 HB VAL 47 -4.149 -7.348 3.978 371 HG11 VAL 47 1HG1 VAL 47 -4.570 -9.628 3.128 372 HG12 VAL 47 2HG1 VAL 47 -3.186 -10.206 4.056 373 HG13 VAL 47 3HG1 VAL 47 -2.948 -9.052 2.744 374 HG21 VAL 47 3HG2 VAL 47 -5.747 -8.802 5.119 375 HG22 VAL 47 1HG2 VAL 47 -4.939 -7.721 6.254 376 HG23 VAL 47 2HG2 VAL 47 -4.455 -9.412 6.151 377 H CYS 48 H CYS 48 -0.351 -9.116 4.449 378 HA CYS 48 HA CYS 48 0.774 -6.885 2.974 379 HB2 CYS 48 2HB CYS 48 1.993 -9.614 3.415 380 HB3 CYS 48 1HB CYS 48 2.819 -8.132 2.936 381 H ALA 49 H ALA 49 -0.620 -6.813 1.273 382 HA ALA 49 HA ALA 49 -1.318 -9.075 -0.302 383 HB1 ALA 49 1HB ALA 49 -2.797 -7.162 -0.114 384 HB2 ALA 49 2HB ALA 49 -2.312 -7.363 -1.800 385 HB3 ALA 49 3HB ALA 49 -1.567 -6.104 -0.810 386 H ASN 50 H ASN 50 -0.557 -9.729 -2.251 387 HA ASN 50 HA ASN 50 2.191 -9.059 -2.800 388 HB2 ASN 50 2HB ASN 50 0.287 -10.933 -4.220 389 HB3 ASN 50 1HB ASN 50 1.983 -10.742 -4.634 390 HD21 ASN 50 1HD2 ASN 50 0.599 -10.864 -1.374 391 HD22 ASN 50 2HD2 ASN 50 1.335 -12.372 -0.954 392 HA PRO 51 HA PRO 51 1.071 -6.168 -6.039 393 HB2 PRO 51 2HB PRO 51 3.644 -5.755 -6.899 394 HB3 PRO 51 1HB PRO 51 2.885 -4.865 -5.581 395 HG2 PRO 51 2HG PRO 51 4.896 -7.021 -5.496 396 HG3 PRO 51 1HG PRO 51 4.577 -5.730 -4.332 397 HD2 PRO 51 2HD PRO 51 3.824 -8.402 -4.055 398 HD3 PRO 51 1HD PRO 51 3.178 -7.045 -3.112 399 H LYS 52 H LYS 52 1.320 -9.167 -6.278 400 HA LYS 52 HA LYS 52 2.181 -9.399 -9.080 401 HB2 LYS 52 2HB LYS 52 2.170 -11.383 -6.809 402 HB3 LYS 52 1HB LYS 52 2.374 -11.871 -8.488 403 HG2 LYS 52 2HG LYS 52 4.365 -10.382 -8.616 404 HG3 LYS 52 1HG LYS 52 4.188 -10.087 -6.886 405 HD2 LYS 52 2HD LYS 52 4.366 -12.877 -7.955 406 HD3 LYS 52 1HD LYS 52 5.820 -11.921 -7.681 407 HE2 LYS 52 2HE LYS 52 3.733 -12.364 -5.561 408 HE3 LYS 52 1HE LYS 52 5.104 -13.446 -5.791 409 HZ1 LYS 52 3HZ LYS 52 5.791 -11.950 -4.157 410 HZ2 LYS 52 1HZ LYS 52 5.145 -10.607 -4.966 411 HZ3 LYS 52 2HZ LYS 52 6.522 -11.376 -5.575 412 H GLN 53 H GLN 53 -0.485 -9.508 -6.990 413 HA GLN 53 HA GLN 53 -1.940 -11.405 -8.706 414 HB2 GLN 53 2HB GLN 53 -3.451 -11.490 -6.572 415 HB3 GLN 53 1HB GLN 53 -1.929 -12.380 -6.606 416 HG2 GLN 53 2HG GLN 53 -0.879 -10.359 -5.527 417 HG3 GLN 53 1HG GLN 53 -2.510 -9.758 -5.271 418 HE21 GLN 53 1HE2 GLN 53 -2.279 -9.788 -3.063 419 HE22 GLN 53 2HE2 GLN 53 -2.263 -11.270 -2.159 420 H THR 54 H THR 54 -4.078 -10.931 -9.317 421 HA THR 54 HA THR 54 -4.310 -8.141 -9.933 422 HB THR 54 HB THR 54 -6.406 -9.066 -11.164 423 HG1 THR 54 1HG THR 54 -5.965 -11.322 -11.742 424 HG21 THR 54 3HG2 THR 54 -4.514 -8.172 -12.320 425 HG22 THR 54 1HG2 THR 54 -4.909 -9.725 -13.055 426 HG23 THR 54 2HG2 THR 54 -3.546 -9.599 -11.941 427 H TRP 55 H TRP 55 -5.989 -10.309 -7.727 428 HA TRP 55 HA TRP 55 -8.236 -8.656 -7.329 429 HB2 TRP 55 2HB TRP 55 -8.615 -9.778 -5.269 430 HB3 TRP 55 1HB TRP 55 -8.054 -10.966 -6.429 431 HD1 TRP 55 HD TRP 55 -5.709 -12.039 -5.946 432 HE1 TRP 55 1HE TRP 55 -4.251 -12.168 -3.887 433 HE3 TRP 55 3HE TRP 55 -7.921 -8.439 -3.379 434 HZ2 TRP 55 2HZ TRP 55 -4.063 -10.807 -1.386 435 HZ3 TRP 55 3HZ TRP 55 -7.104 -7.870 -1.238 436 HH2 TRP 55 HH TRP 55 -5.232 -8.996 -0.195 437 H VAL 56 H VAL 56 -5.006 -8.617 -6.165 438 HA VAL 56 HA VAL 56 -5.255 -6.391 -4.442 439 HB VAL 56 HB VAL 56 -2.922 -7.673 -5.852 440 HG11 VAL 56 1HG1 VAL 56 -2.420 -5.314 -5.734 441 HG12 VAL 56 2HG1 VAL 56 -1.444 -6.207 -4.569 442 HG13 VAL 56 3HG1 VAL 56 -2.845 -5.284 -4.023 443 HG21 VAL 56 3HG2 VAL 56 -3.730 -7.440 -2.963 444 HG22 VAL 56 1HG2 VAL 56 -2.269 -8.230 -3.555 445 HG23 VAL 56 2HG2 VAL 56 -3.853 -8.874 -3.981 446 H LYS 57 H LYS 57 -4.280 -6.772 -7.849 447 HA LYS 57 HA LYS 57 -3.701 -4.121 -8.424 448 HB2 LYS 57 2HB LYS 57 -4.928 -6.172 -10.257 449 HB3 LYS 57 1HB LYS 57 -4.190 -4.667 -10.774 450 HG2 LYS 57 2HG LYS 57 -2.963 -7.204 -10.026 451 HG3 LYS 57 1HG LYS 57 -2.365 -5.913 -11.060 452 HD2 LYS 57 2HD LYS 57 -1.781 -4.627 -9.021 453 HD3 LYS 57 1HD LYS 57 -2.258 -6.042 -8.073 454 HE2 LYS 57 2HE LYS 57 0.117 -6.092 -8.331 455 HE3 LYS 57 1HE LYS 57 -0.563 -7.369 -9.337 456 HZ1 LYS 57 3HZ LYS 57 1.124 -6.212 -10.562 457 HZ2 LYS 57 1HZ LYS 57 0.408 -4.708 -10.247 458 HZ3 LYS 57 2HZ LYS 57 -0.373 -5.828 -11.246 459 H TYR 58 H TYR 58 -6.807 -5.798 -8.408 460 HA TYR 58 HA TYR 58 -8.340 -3.669 -9.419 461 HB2 TYR 58 2HB TYR 58 -9.466 -5.693 -9.477 462 HB3 TYR 58 1HB TYR 58 -8.925 -6.161 -7.868 463 HD1 TYR 58 1HD TYR 58 -10.860 -3.262 -9.259 464 HD2 TYR 58 2HD TYR 58 -10.662 -6.416 -6.415 465 HE1 TYR 58 1HE TYR 58 -13.003 -2.533 -8.315 466 HE2 TYR 58 2HE TYR 58 -12.806 -5.703 -5.463 467 HH TYR 58 HH TYR 58 -14.898 -3.612 -7.002 468 H ILE 59 H ILE 59 -7.753 -4.733 -6.067 469 HA ILE 59 HA ILE 59 -9.274 -2.698 -4.877 470 HB ILE 59 HB ILE 59 -6.989 -4.268 -3.680 471 HG12 ILE 59 2HG1 ILE 59 -9.979 -4.710 -3.503 472 HG13 ILE 59 1HG1 ILE 59 -8.898 -5.624 -4.541 473 HG21 ILE 59 1HG2 ILE 59 -9.183 -2.676 -2.358 474 HG22 ILE 59 2HG2 ILE 59 -7.475 -2.233 -2.415 475 HG23 ILE 59 3HG2 ILE 59 -7.986 -3.668 -1.526 476 HD11 ILE 59 3HD1 ILE 59 -9.461 -6.825 -2.499 477 HD12 ILE 59 1HD1 ILE 59 -8.752 -5.526 -1.543 478 HD13 ILE 59 2HD1 ILE 59 -7.734 -6.496 -2.612 479 H VAL 60 H VAL 60 -5.763 -2.917 -5.526 480 HA VAL 60 HA VAL 60 -5.220 -0.362 -4.386 481 HB VAL 60 HB VAL 60 -3.442 -2.080 -4.630 482 HG11 VAL 60 1HG1 VAL 60 -4.011 -2.932 -6.833 483 HG12 VAL 60 2HG1 VAL 60 -2.336 -2.374 -6.798 484 HG13 VAL 60 3HG1 VAL 60 -3.581 -1.385 -7.564 485 HG21 VAL 60 3HG2 VAL 60 -2.862 0.259 -4.289 486 HG22 VAL 60 1HG2 VAL 60 -2.854 0.524 -6.032 487 HG23 VAL 60 2HG2 VAL 60 -1.666 -0.555 -5.301 488 H ARG 61 H ARG 61 -6.322 -1.388 -7.541 489 HA ARG 61 HA ARG 61 -5.681 0.957 -8.979 490 HB2 ARG 61 2HB ARG 61 -6.456 -1.166 -10.020 491 HB3 ARG 61 1HB ARG 61 -8.065 -0.863 -9.382 492 HG2 ARG 61 2HG ARG 61 -8.266 1.125 -10.734 493 HG3 ARG 61 1HG ARG 61 -6.612 0.919 -11.318 494 HD2 ARG 61 2HD ARG 61 -8.227 0.114 -12.960 495 HD3 ARG 61 1HD ARG 61 -7.228 -1.202 -12.348 496 HE ARG 61 HE ARG 61 -9.863 -0.768 -11.147 497 HH11 ARG 61 1HH1 ARG 61 -7.764 -2.728 -13.161 498 HH12 ARG 61 2HH1 ARG 61 -8.850 -4.085 -13.180 499 HH21 ARG 61 1HH2 ARG 61 -11.290 -2.547 -11.181 500 HH22 ARG 61 2HH2 ARG 61 -10.857 -3.979 -12.063 501 H LEU 62 H LEU 62 -8.340 0.104 -6.866 502 HA LEU 62 HA LEU 62 -9.728 2.603 -7.320 503 HB2 LEU 62 2HB LEU 62 -10.191 0.328 -5.398 504 HB3 LEU 62 1HB LEU 62 -11.184 1.772 -5.429 505 HG LEU 62 HG LEU 62 -10.866 -0.220 -7.673 506 HD11 LEU 62 1HD1 LEU 62 -12.213 -1.015 -5.788 507 HD12 LEU 62 2HD1 LEU 62 -13.186 -0.757 -7.236 508 HD13 LEU 62 3HD1 LEU 62 -13.232 0.420 -5.921 509 HD21 LEU 62 3HD2 LEU 62 -12.594 1.074 -8.812 510 HD22 LEU 62 1HD2 LEU 62 -11.151 2.047 -8.531 511 HD23 LEU 62 2HD2 LEU 62 -12.573 2.261 -7.509 512 H LEU 63 H LEU 63 -7.355 1.340 -5.161 513 HA LEU 63 HA LEU 63 -7.815 3.342 -3.126 514 HB2 LEU 63 2HB LEU 63 -5.877 1.071 -3.376 515 HB3 LEU 63 1HB LEU 63 -5.799 2.234 -2.061 516 HG LEU 63 HG LEU 63 -8.207 0.519 -2.685 517 HD11 LEU 63 1HD1 LEU 63 -6.105 0.211 -0.552 518 HD12 LEU 63 2HD1 LEU 63 -6.374 -0.865 -1.924 519 HD13 LEU 63 3HD1 LEU 63 -7.597 -0.725 -0.660 520 HD21 LEU 63 3HD2 LEU 63 -8.738 2.649 -1.609 521 HD22 LEU 63 1HD2 LEU 63 -7.581 2.289 -0.327 522 HD23 LEU 63 2HD2 LEU 63 -9.019 1.287 -0.524 523 H SER 64 H SER 64 -5.550 2.753 -5.720 524 HA SER 64 HA SER 64 -3.749 4.855 -4.937 525 HB2 SER 64 2HB SER 64 -3.039 2.832 -6.245 526 HB3 SER 64 1HB SER 64 -3.989 3.428 -7.600 527 HG SER 64 HG SER 64 -2.642 5.232 -7.713 528 H LYS 65 H LYS 65 -6.506 4.456 -7.052 529 HA LYS 65 HA LYS 65 -6.404 7.332 -7.656 530 HB2 LYS 65 2HB LYS 65 -5.733 6.059 -9.643 531 HB3 LYS 65 1HB LYS 65 -7.205 5.107 -9.541 532 HG2 LYS 65 2HG LYS 65 -8.483 7.258 -9.835 533 HG3 LYS 65 1HG LYS 65 -6.939 8.022 -10.212 534 HD2 LYS 65 2HD LYS 65 -7.879 7.460 -12.296 535 HD3 LYS 65 1HD LYS 65 -6.654 6.229 -11.989 536 HE2 LYS 65 2HE LYS 65 -9.594 5.886 -11.415 537 HE3 LYS 65 1HE LYS 65 -8.812 5.349 -12.897 538 HZ1 LYS 65 3HZ LYS 65 -9.005 3.512 -11.390 539 HZ2 LYS 65 1HZ LYS 65 -8.247 4.378 -10.147 540 HZ3 LYS 65 2HZ LYS 65 -7.362 3.925 -11.519 541 H LYS 66 H LYS 66 -7.859 7.674 -5.930 542 HA LYS 66 HA LYS 66 -10.525 6.521 -6.229 543 HB2 LYS 66 2HB LYS 66 -9.392 6.587 -3.974 544 HB3 LYS 66 1HB LYS 66 -9.532 8.337 -4.027 545 HG2 LYS 66 2HG LYS 66 -11.306 7.357 -2.691 546 HG3 LYS 66 1HG LYS 66 -11.965 8.147 -4.127 547 HD2 LYS 66 2HD LYS 66 -12.200 6.013 -5.239 548 HD3 LYS 66 1HD LYS 66 -11.408 5.191 -3.897 549 HE2 LYS 66 2HE LYS 66 -13.772 4.852 -3.718 550 HE3 LYS 66 1HE LYS 66 -13.248 5.925 -2.420 551 HZ1 LYS 66 3HZ LYS 66 -15.326 6.619 -3.504 552 HZ2 LYS 66 1HZ LYS 66 -14.497 6.840 -4.962 553 HZ3 LYS 66 2HZ LYS 66 -14.121 7.801 -3.609 554 H VAL 67 H VAL 67 -11.803 7.573 -7.605 555 HA VAL 67 HA VAL 67 -11.290 10.396 -8.084 556 HB VAL 67 HB VAL 67 -12.828 10.123 -10.042 557 HG11 VAL 67 1HG1 VAL 67 -11.242 8.797 -11.386 558 HG12 VAL 67 2HG1 VAL 67 -10.455 8.268 -9.899 559 HG13 VAL 67 3HG1 VAL 67 -10.433 9.974 -10.348 560 HG21 VAL 67 3HG2 VAL 67 -12.724 7.202 -9.295 561 HG22 VAL 67 1HG2 VAL 67 -13.418 7.868 -10.773 562 HG23 VAL 67 2HG2 VAL 67 -14.150 8.239 -9.213 563 H LYS 68 H LYS 68 -12.462 11.928 -7.216 564 HA LYS 68 HA LYS 68 -15.201 11.320 -6.340 565 HB2 LYS 68 2HB LYS 68 -13.596 12.214 -4.635 566 HB3 LYS 68 1HB LYS 68 -13.456 13.678 -5.591 567 HG2 LYS 68 2HG LYS 68 -14.936 14.158 -3.828 568 HG3 LYS 68 1HG LYS 68 -15.925 14.008 -5.278 569 HD2 LYS 68 2HD LYS 68 -15.513 11.733 -3.344 570 HD3 LYS 68 1HD LYS 68 -16.809 12.915 -3.160 571 HE2 LYS 68 2HE LYS 68 -16.387 11.150 -5.574 572 HE3 LYS 68 1HE LYS 68 -17.551 10.852 -4.283 573 HZ1 LYS 68 3HZ LYS 68 -18.465 11.939 -6.320 574 HZ2 LYS 68 1HZ LYS 68 -17.561 13.319 -5.937 575 HZ3 LYS 68 2HZ LYS 68 -18.770 12.775 -4.877 576 H ASN 69 H ASN 69 -13.626 12.365 -8.914 577 HA ASN 69 HA ASN 69 -15.587 14.435 -9.644 578 HB2 ASN 69 2HB ASN 69 -13.416 15.455 -9.541 579 HB3 ASN 69 1HB ASN 69 -12.679 14.116 -10.414 580 HD21 ASN 69 1HD2 ASN 69 -12.911 13.987 -12.642 581 HD22 ASN 69 2HD2 ASN 69 -13.470 15.322 -13.592 582 H MET 70 H MET 70 -16.506 14.302 -11.702 583 HA MET 70 HA MET 70 -16.180 11.699 -13.011 584 HB2 MET 70 2HB MET 70 -18.414 13.723 -13.112 585 HB3 MET 70 1HB MET 70 -18.337 12.325 -14.175 586 HG2 MET 70 2HG MET 70 -18.340 10.853 -12.221 587 HG3 MET 70 1HG MET 70 -18.463 12.265 -11.173 588 HE1 MET 70 3HE MET 70 -20.219 11.869 -14.661 589 HE2 MET 70 1HE MET 70 -21.742 11.100 -14.210 590 HE3 MET 70 2HE MET 70 -20.221 10.219 -14.041 Start of MODEL 13 1 H1 ALA 1 1HT ALA 1 16.652 7.486 4.475 2 H2 ALA 1 2HT ALA 1 18.301 7.583 4.856 3 H3 ALA 1 3HT ALA 1 17.294 6.548 5.732 4 HA ALA 1 HA ALA 1 18.038 6.296 2.880 5 HB1 ALA 1 1HB ALA 1 18.695 4.547 5.248 6 HB2 ALA 1 2HB ALA 1 19.810 5.648 4.433 7 HB3 ALA 1 3HB ALA 1 19.159 4.251 3.572 8 H SER 2 H SER 2 16.116 5.052 5.586 9 HA SER 2 HA SER 2 14.370 3.769 3.597 10 HB2 SER 2 2HB SER 2 14.936 2.673 6.363 11 HB3 SER 2 1HB SER 2 13.990 1.907 5.085 12 HG SER 2 HG SER 2 16.344 2.450 4.044 13 H ASN 3 H ASN 3 12.470 4.756 3.579 14 HA ASN 3 HA ASN 3 11.651 6.495 5.704 15 HB2 ASN 3 2HB ASN 3 10.072 5.560 3.294 16 HB3 ASN 3 1HB ASN 3 9.664 6.917 4.338 17 HD21 ASN 3 1HD2 ASN 3 10.096 6.919 1.497 18 HD22 ASN 3 2HD2 ASN 3 11.410 8.002 1.192 19 H PHE 4 H PHE 4 10.537 3.402 4.417 20 HA PHE 4 HA PHE 4 9.303 2.874 7.025 21 HB2 PHE 4 2HB PHE 4 7.536 1.546 5.813 22 HB3 PHE 4 1HB PHE 4 7.428 3.276 5.618 23 HD1 PHE 4 1HD PHE 4 9.281 0.541 3.885 24 HD2 PHE 4 2HD PHE 4 6.675 3.891 3.554 25 HE1 PHE 4 1HE PHE 4 9.198 0.232 1.454 26 HE2 PHE 4 2HE PHE 4 6.595 3.586 1.111 27 HZ PHE 4 HZ PHE 4 7.854 1.743 0.076 28 H ASP 5 H ASP 5 8.563 0.329 6.747 29 HA ASP 5 HA ASP 5 10.983 -1.093 5.907 30 HB2 ASP 5 2HB ASP 5 11.167 -0.749 8.271 31 HB3 ASP 5 1HB ASP 5 9.523 -1.313 8.536 32 H CYS 6 H CYS 6 10.174 -2.119 4.181 33 HA CYS 6 HA CYS 6 8.028 -3.392 3.451 34 HB2 CYS 6 2HB CYS 6 9.425 -5.212 2.550 35 HB3 CYS 6 1HB CYS 6 10.156 -3.627 2.308 36 H CYS 7 H CYS 7 6.752 -5.104 3.924 37 HA CYS 7 HA CYS 7 6.990 -6.483 6.414 38 HB2 CYS 7 2HB CYS 7 4.803 -6.053 5.309 39 HB3 CYS 7 1HB CYS 7 5.269 -7.155 4.018 40 H LEU 8 H LEU 8 8.056 -8.355 6.834 41 HA LEU 8 HA LEU 8 9.794 -9.343 4.742 42 HB2 LEU 8 2HB LEU 8 9.510 -10.138 7.636 43 HB3 LEU 8 1HB LEU 8 10.761 -10.727 6.554 44 HG LEU 8 HG LEU 8 10.384 -7.858 7.418 45 HD11 LEU 8 1HD1 LEU 8 12.489 -8.191 8.620 46 HD12 LEU 8 2HD1 LEU 8 12.473 -9.897 8.171 47 HD13 LEU 8 3HD1 LEU 8 11.212 -9.244 9.221 48 HD21 LEU 8 3HD2 LEU 8 11.292 -7.932 5.189 49 HD22 LEU 8 1HD2 LEU 8 12.486 -9.137 5.675 50 HD23 LEU 8 2HD2 LEU 8 12.567 -7.501 6.328 51 H GLY 9 H GLY 9 7.224 -9.866 4.067 52 HA2 GLY 9 2HA GLY 9 7.187 -12.490 3.305 53 HA3 GLY 9 1HA GLY 9 6.360 -12.471 4.861 54 H TYR 10 H TYR 10 5.142 -13.131 2.356 55 HA TYR 10 HA TYR 10 3.217 -10.907 2.190 56 HB2 TYR 10 2HB TYR 10 3.971 -12.781 -0.055 57 HB3 TYR 10 1HB TYR 10 2.787 -11.498 -0.140 58 HD1 TYR 10 2HD TYR 10 6.396 -12.071 0.500 59 HD2 TYR 10 1HD TYR 10 3.400 -9.391 -0.902 60 HE1 TYR 10 2HE TYR 10 8.154 -10.525 -0.256 61 HE2 TYR 10 1HE TYR 10 5.152 -7.835 -1.657 62 HH TYR 10 HH TYR 10 7.390 -7.308 -1.378 63 H THR 11 H THR 11 1.053 -11.560 1.566 64 HA THR 11 HA THR 11 0.292 -14.026 2.890 65 HB THR 11 HB THR 11 -0.862 -11.802 3.266 66 HG1 THR 11 1HG THR 11 -1.833 -13.914 3.736 67 HG21 THR 11 3HG2 THR 11 -2.042 -12.385 0.547 68 HG22 THR 11 1HG2 THR 11 -0.961 -11.049 0.942 69 HG23 THR 11 2HG2 THR 11 -2.573 -11.120 1.652 70 H ASP 12 H ASP 12 -1.846 -14.965 1.676 71 HA ASP 12 HA ASP 12 -1.439 -15.103 -1.203 72 HB2 ASP 12 2HB ASP 12 -1.600 -17.605 -1.170 73 HB3 ASP 12 1HB ASP 12 -0.114 -16.977 -0.471 74 H ARG 13 H ARG 13 -3.368 -13.887 0.518 75 HA ARG 13 HA ARG 13 -5.789 -15.482 0.359 76 HB2 ARG 13 2HB ARG 13 -5.304 -12.640 1.254 77 HB3 ARG 13 1HB ARG 13 -6.856 -13.453 1.322 78 HG2 ARG 13 2HG ARG 13 -4.400 -14.386 2.796 79 HG3 ARG 13 1HG ARG 13 -5.656 -13.362 3.493 80 HD2 ARG 13 2HD ARG 13 -7.283 -15.218 2.798 81 HD3 ARG 13 1HD ARG 13 -5.845 -16.219 2.593 82 HE ARG 13 HE ARG 13 -5.939 -14.921 5.147 83 HH11 ARG 13 1HH1 ARG 13 -7.086 -17.670 3.326 84 HH12 ARG 13 2HH1 ARG 13 -7.383 -18.644 4.731 85 HH21 ARG 13 1HH2 ARG 13 -6.337 -16.189 7.013 86 HH22 ARG 13 2HH2 ARG 13 -6.966 -17.805 6.830 87 H ILE 14 H ILE 14 -7.776 -14.130 -0.332 88 HA ILE 14 HA ILE 14 -7.175 -12.344 -2.598 89 HB ILE 14 HB ILE 14 -9.612 -14.120 -2.306 90 HG12 ILE 14 2HG1 ILE 14 -7.424 -15.229 -2.992 91 HG13 ILE 14 1HG1 ILE 14 -8.780 -15.427 -4.097 92 HG21 ILE 14 1HG2 ILE 14 -10.155 -11.990 -3.359 93 HG22 ILE 14 2HG2 ILE 14 -10.237 -13.305 -4.531 94 HG23 ILE 14 3HG2 ILE 14 -8.846 -12.222 -4.517 95 HD11 ILE 14 3HD1 ILE 14 -6.532 -13.458 -4.397 96 HD12 ILE 14 1HD1 ILE 14 -7.887 -13.665 -5.509 97 HD13 ILE 14 2HD1 ILE 14 -6.721 -14.972 -5.287 98 H LEU 15 H LEU 15 -7.070 -10.698 -0.943 99 HA LEU 15 HA LEU 15 -9.349 -10.142 0.713 100 HB2 LEU 15 2HB LEU 15 -6.825 -8.593 0.078 101 HB3 LEU 15 1HB LEU 15 -8.104 -7.935 1.101 102 HG LEU 15 HG LEU 15 -6.598 -8.746 2.647 103 HD11 LEU 15 1HD1 LEU 15 -8.451 -11.062 2.154 104 HD12 LEU 15 2HD1 LEU 15 -8.768 -9.651 3.162 105 HD13 LEU 15 3HD1 LEU 15 -7.512 -10.800 3.622 106 HD21 LEU 15 3HD2 LEU 15 -5.443 -10.942 2.423 107 HD22 LEU 15 1HD2 LEU 15 -5.021 -9.757 1.185 108 HD23 LEU 15 2HD2 LEU 15 -6.130 -11.071 0.801 109 H HIS 16 H HIS 16 -10.664 -8.242 0.574 110 HA HIS 16 HA HIS 16 -10.788 -7.061 -2.119 111 HB2 HIS 16 2HB HIS 16 -13.158 -8.043 -0.523 112 HB3 HIS 16 1HB HIS 16 -13.243 -7.176 -2.049 113 HD1 HIS 16 1HD HIS 16 -14.463 -9.951 -1.638 114 HD2 HIS 16 2HD HIS 16 -10.695 -9.252 -3.222 115 HE1 HIS 16 1HE HIS 16 -13.903 -11.977 -2.936 116 HE2 HIS 16 2HE HIS 16 -11.809 -11.394 -4.192 117 HA PRO 17 HA PRO 17 -11.840 -3.179 -0.041 118 HB2 PRO 17 2HB PRO 17 -14.287 -2.596 -1.228 119 HB3 PRO 17 1HB PRO 17 -12.715 -2.133 -1.886 120 HG2 PRO 17 2HG PRO 17 -14.483 -4.422 -2.622 121 HG3 PRO 17 1HG PRO 17 -13.463 -3.411 -3.661 122 HD2 PRO 17 2HD PRO 17 -12.733 -5.915 -2.943 123 HD3 PRO 17 1HD PRO 17 -11.540 -4.602 -3.146 124 H LYS 18 H LYS 18 -14.006 -5.797 -0.487 125 HA LYS 18 HA LYS 18 -16.037 -5.588 1.302 126 HB2 LYS 18 2HB LYS 18 -14.266 -7.968 0.705 127 HB3 LYS 18 1HB LYS 18 -15.829 -8.090 1.488 128 HG2 LYS 18 2HG LYS 18 -15.965 -6.622 -1.004 129 HG3 LYS 18 1HG LYS 18 -15.328 -8.254 -1.208 130 HD2 LYS 18 2HD LYS 18 -17.858 -7.626 0.298 131 HD3 LYS 18 1HD LYS 18 -17.813 -8.049 -1.416 132 HE2 LYS 18 2HE LYS 18 -16.623 -10.157 -0.768 133 HE3 LYS 18 1HE LYS 18 -16.947 -9.747 0.917 134 HZ1 LYS 18 3HZ LYS 18 -19.276 -9.896 0.541 135 HZ2 LYS 18 1HZ LYS 18 -18.583 -11.295 -0.118 136 HZ3 LYS 18 2HZ LYS 18 -19.073 -10.027 -1.136 137 H PHE 19 H PHE 19 -12.622 -6.144 2.030 138 HA PHE 19 HA PHE 19 -13.312 -6.232 4.899 139 HB2 PHE 19 2HB PHE 19 -10.981 -7.702 3.667 140 HB3 PHE 19 1HB PHE 19 -11.616 -7.868 5.298 141 HD1 PHE 19 2HD PHE 19 -13.950 -8.844 5.574 142 HD2 PHE 19 1HD PHE 19 -11.750 -9.063 1.936 143 HE1 PHE 19 2HE PHE 19 -15.391 -10.690 4.817 144 HE2 PHE 19 1HE PHE 19 -13.189 -10.908 1.172 145 HZ PHE 19 HZ PHE 19 -15.013 -11.723 2.614 146 H ILE 20 H ILE 20 -11.935 -4.386 2.609 147 HA ILE 20 HA ILE 20 -9.556 -3.651 4.153 148 HB ILE 20 HB ILE 20 -10.322 -3.410 1.296 149 HG12 ILE 20 2HG1 ILE 20 -8.039 -3.994 0.899 150 HG13 ILE 20 1HG1 ILE 20 -7.580 -3.615 2.550 151 HG21 ILE 20 1HG2 ILE 20 -8.560 -1.342 2.600 152 HG22 ILE 20 2HG2 ILE 20 -10.124 -1.057 1.836 153 HG23 ILE 20 3HG2 ILE 20 -8.747 -1.577 0.862 154 HD11 ILE 20 3HD1 ILE 20 -9.224 -5.938 1.587 155 HD12 ILE 20 1HD1 ILE 20 -9.016 -5.524 3.290 156 HD13 ILE 20 2HD1 ILE 20 -7.619 -5.976 2.315 157 H VAL 21 H VAL 21 -9.545 -1.930 5.424 158 HA VAL 21 HA VAL 21 -11.488 0.218 4.874 159 HB VAL 21 HB VAL 21 -11.413 0.821 7.258 160 HG11 VAL 21 1HG1 VAL 21 -12.123 -2.081 6.857 161 HG12 VAL 21 2HG1 VAL 21 -13.142 -0.713 6.410 162 HG13 VAL 21 3HG1 VAL 21 -12.754 -1.004 8.106 163 HG21 VAL 21 3HG2 VAL 21 -9.769 -1.687 7.599 164 HG22 VAL 21 1HG2 VAL 21 -10.380 -0.659 8.898 165 HG23 VAL 21 2HG2 VAL 21 -9.172 -0.035 7.772 166 H GLY 22 H GLY 22 -8.295 -0.658 4.803 167 HA2 GLY 22 2HA GLY 22 -7.495 2.077 4.337 168 HA3 GLY 22 1HA GLY 22 -6.713 1.312 5.717 169 H PHE 23 H PHE 23 -5.500 2.250 3.269 170 HA PHE 23 HA PHE 23 -4.088 -0.224 2.529 171 HB2 PHE 23 2HB PHE 23 -5.379 -0.240 0.691 172 HB3 PHE 23 1HB PHE 23 -5.786 1.469 0.811 173 HD1 PHE 23 1HD PHE 23 -3.147 -0.897 -0.185 174 HD2 PHE 23 2HD PHE 23 -4.690 3.047 -0.407 175 HE1 PHE 23 1HE PHE 23 -1.523 -0.371 -1.949 176 HE2 PHE 23 2HE PHE 23 -3.078 3.583 -2.184 177 HZ PHE 23 HZ PHE 23 -1.503 1.852 -2.925 178 H THR 24 H THR 24 -1.993 0.048 2.485 179 HA THR 24 HA THR 24 -0.885 2.731 2.046 180 HB THR 24 HB THR 24 0.157 0.764 4.099 181 HG1 THR 24 1HG THR 24 -1.253 3.230 4.402 182 HG21 THR 24 3HG2 THR 24 1.644 2.613 4.758 183 HG22 THR 24 1HG2 THR 24 1.022 3.579 3.420 184 HG23 THR 24 2HG2 THR 24 1.933 2.103 3.093 185 H ARG 25 H ARG 25 0.476 2.680 0.350 186 HA ARG 25 HA ARG 25 1.281 0.087 -0.665 187 HB2 ARG 25 2HB ARG 25 2.047 1.323 -2.645 188 HB3 ARG 25 1HB ARG 25 0.369 1.676 -2.250 189 HG2 ARG 25 2HG ARG 25 1.255 3.736 -1.040 190 HG3 ARG 25 1HG ARG 25 2.785 3.420 -1.859 191 HD2 ARG 25 2HD ARG 25 0.111 3.997 -3.125 192 HD3 ARG 25 1HD ARG 25 1.536 5.034 -3.129 193 HE ARG 25 HE ARG 25 1.723 2.408 -4.395 194 HH11 ARG 25 1HH1 ARG 25 1.605 5.885 -4.663 195 HH12 ARG 25 2HH1 ARG 25 2.062 5.916 -6.339 196 HH21 ARG 25 1HH2 ARG 25 2.351 2.428 -6.615 197 HH22 ARG 25 2HH2 ARG 25 2.520 3.944 -7.443 198 H GLN 26 H GLN 26 3.054 -0.806 0.084 199 HA GLN 26 HA GLN 26 5.314 0.881 0.843 200 HB2 GLN 26 2HB GLN 26 4.561 -0.544 2.567 201 HB3 GLN 26 1HB GLN 26 4.423 -1.914 1.485 202 HG2 GLN 26 2HG GLN 26 6.930 -1.827 1.288 203 HG3 GLN 26 1HG GLN 26 6.891 -0.689 2.644 204 HE21 GLN 26 1HE2 GLN 26 6.003 -1.389 4.637 205 HE22 GLN 26 2HE2 GLN 26 5.926 -3.066 5.020 206 H LEU 27 H LEU 27 7.062 0.940 -0.418 207 HA LEU 27 HA LEU 27 7.042 -0.793 -2.786 208 HB2 LEU 27 2HB LEU 27 8.021 2.047 -2.461 209 HB3 LEU 27 1HB LEU 27 8.335 1.072 -3.881 210 HG LEU 27 HG LEU 27 5.780 0.869 -4.076 211 HD11 LEU 27 1HD1 LEU 27 5.966 3.248 -2.240 212 HD12 LEU 27 2HD1 LEU 27 5.185 1.705 -1.885 213 HD13 LEU 27 3HD1 LEU 27 4.531 2.758 -3.141 214 HD21 LEU 27 3HD2 LEU 27 7.146 3.516 -4.523 215 HD22 LEU 27 1HD2 LEU 27 5.644 2.992 -5.283 216 HD23 LEU 27 2HD2 LEU 27 7.149 2.137 -5.623 217 H ALA 28 H ALA 28 9.353 -0.589 -3.863 218 HA ALA 28 HA ALA 28 11.251 -1.575 -1.833 219 HB1 ALA 28 1HB ALA 28 10.504 -3.308 -3.350 220 HB2 ALA 28 2HB ALA 28 12.200 -2.936 -3.659 221 HB3 ALA 28 3HB ALA 28 10.951 -2.322 -4.746 222 H ASN 29 H ASN 29 10.880 1.201 -2.766 223 HA ASN 29 HA ASN 29 13.557 1.675 -3.882 224 HB2 ASN 29 2HB ASN 29 11.210 3.429 -4.581 225 HB3 ASN 29 1HB ASN 29 12.749 3.249 -5.424 226 HD21 ASN 29 1HD2 ASN 29 13.102 1.359 -6.660 227 HD22 ASN 29 2HD2 ASN 29 11.774 0.437 -7.256 228 H GLU 30 H GLU 30 11.319 2.262 -1.465 229 HA GLU 30 HA GLU 30 12.589 4.817 -0.751 230 HB2 GLU 30 2HB GLU 30 9.811 3.879 -0.032 231 HB3 GLU 30 1HB GLU 30 10.517 5.440 0.370 232 HG2 GLU 30 2HG GLU 30 10.753 5.859 -2.098 233 HG3 GLU 30 1HG GLU 30 9.810 4.392 -2.356 234 H GLY 31 H GLY 31 13.308 1.999 -0.070 235 HA2 GLY 31 2HA GLY 31 14.461 2.406 2.365 236 HA3 GLY 31 1HA GLY 31 12.873 1.750 2.751 237 H CYS 32 H CYS 32 12.420 -0.358 2.324 238 HA CYS 32 HA CYS 32 14.523 -2.207 2.095 239 HB2 CYS 32 2HB CYS 32 11.547 -2.385 1.896 240 HB3 CYS 32 1HB CYS 32 12.544 -3.779 1.510 241 H ASP 33 H ASP 33 14.562 -3.954 0.415 242 HA ASP 33 HA ASP 33 14.408 -2.799 -2.276 243 HB2 ASP 33 2HB ASP 33 15.866 -4.645 -2.960 244 HB3 ASP 33 1HB ASP 33 16.566 -3.786 -1.590 245 H ILE 34 H ILE 34 12.625 -4.720 -0.222 246 HA ILE 34 HA ILE 34 11.256 -6.019 -2.470 247 HB ILE 34 HB ILE 34 10.612 -7.767 -1.151 248 HG12 ILE 34 2HG1 ILE 34 10.781 -6.068 1.359 249 HG13 ILE 34 1HG1 ILE 34 9.306 -6.334 0.432 250 HG21 ILE 34 1HG2 ILE 34 12.975 -6.774 0.434 251 HG22 ILE 34 2HG2 ILE 34 13.057 -7.680 -1.077 252 HG23 ILE 34 3HG2 ILE 34 12.385 -8.435 0.368 253 HD11 ILE 34 3HD1 ILE 34 10.930 -8.444 1.836 254 HD12 ILE 34 1HD1 ILE 34 9.470 -8.733 0.890 255 HD13 ILE 34 2HD1 ILE 34 9.388 -7.778 2.371 256 H ASN 35 H ASN 35 8.891 -5.953 -2.454 257 HA ASN 35 HA ASN 35 7.892 -3.473 -1.211 258 HB2 ASN 35 2HB ASN 35 6.649 -3.058 -3.370 259 HB3 ASN 35 1HB ASN 35 8.397 -2.897 -3.484 260 HD21 ASN 35 1HD2 ASN 35 9.580 -4.476 -4.614 261 HD22 ASN 35 2HD2 ASN 35 8.821 -5.569 -5.713 262 H ALA 36 H ALA 36 5.988 -3.692 -0.158 263 HA ALA 36 HA ALA 36 4.162 -5.826 -1.051 264 HB1 ALA 36 1HB ALA 36 5.340 -6.661 0.905 265 HB2 ALA 36 2HB ALA 36 3.638 -6.381 1.282 266 HB3 ALA 36 3HB ALA 36 4.863 -5.233 1.823 267 H ILE 37 H ILE 37 2.191 -5.058 -1.483 268 HA ILE 37 HA ILE 37 1.226 -2.504 -0.711 269 HB ILE 37 HB ILE 37 -0.271 -4.932 -1.717 270 HG12 ILE 37 2HG1 ILE 37 1.396 -4.169 -3.314 271 HG13 ILE 37 1HG1 ILE 37 -0.216 -3.770 -3.898 272 HG21 ILE 37 1HG2 ILE 37 -1.795 -3.434 -0.600 273 HG22 ILE 37 2HG2 ILE 37 -2.043 -3.334 -2.344 274 HG23 ILE 37 3HG2 ILE 37 -1.159 -2.061 -1.503 275 HD11 ILE 37 3HD1 ILE 37 1.327 -1.956 -4.309 276 HD12 ILE 37 1HD1 ILE 37 1.715 -1.872 -2.590 277 HD13 ILE 37 2HD1 ILE 37 0.093 -1.464 -3.148 278 H ILE 38 H ILE 38 0.564 -1.967 1.316 279 HA ILE 38 HA ILE 38 -0.147 -4.114 3.169 280 HB ILE 38 HB ILE 38 0.213 -1.172 3.756 281 HG12 ILE 38 2HG1 ILE 38 2.177 -3.420 4.235 282 HG13 ILE 38 1HG1 ILE 38 2.277 -2.312 2.870 283 HG21 ILE 38 1HG2 ILE 38 0.126 -3.577 5.575 284 HG22 ILE 38 2HG2 ILE 38 -1.145 -2.369 5.398 285 HG23 ILE 38 3HG2 ILE 38 0.415 -1.913 6.082 286 HD11 ILE 38 3HD1 ILE 38 3.788 -1.667 4.670 287 HD12 ILE 38 1HD1 ILE 38 2.425 -1.542 5.781 288 HD13 ILE 38 2HD1 ILE 38 2.549 -0.439 4.409 289 H PHE 39 H PHE 39 -2.249 -4.687 2.898 290 HA PHE 39 HA PHE 39 -4.272 -2.579 2.815 291 HB2 PHE 39 2HB PHE 39 -4.432 -5.568 2.481 292 HB3 PHE 39 1HB PHE 39 -5.870 -4.574 2.691 293 HD1 PHE 39 1HD PHE 39 -5.070 -2.190 1.052 294 HD2 PHE 39 2HD PHE 39 -4.693 -6.365 0.334 295 HE1 PHE 39 1HE PHE 39 -5.158 -1.767 -1.388 296 HE2 PHE 39 2HE PHE 39 -4.766 -5.965 -2.077 297 HZ PHE 39 HZ PHE 39 -4.991 -3.684 -2.938 298 H HIS 40 H HIS 40 -5.363 -1.965 4.528 299 HA HIS 40 HA HIS 40 -4.817 -3.347 7.057 300 HB2 HIS 40 2HB HIS 40 -6.083 -0.616 6.682 301 HB3 HIS 40 1HB HIS 40 -5.441 -1.296 8.174 302 HD1 HIS 40 1HD HIS 40 -3.048 -0.667 8.714 303 HD2 HIS 40 2HD HIS 40 -4.004 -0.074 4.713 304 HE1 HIS 40 1HE HIS 40 -1.011 0.383 7.659 305 HE2 HIS 40 2HE HIS 40 -1.753 1.015 5.355 306 H THR 41 H THR 41 -6.273 -4.808 7.561 307 HA THR 41 HA THR 41 -8.827 -4.893 6.301 308 HB THR 41 HB THR 41 -9.203 -6.895 7.761 309 HG1 THR 41 1HG THR 41 -6.480 -6.467 8.507 310 HG21 THR 41 3HG2 THR 41 -6.647 -6.835 6.155 311 HG22 THR 41 1HG2 THR 41 -8.268 -7.124 5.518 312 HG23 THR 41 2HG2 THR 41 -7.532 -8.286 6.622 313 H LYS 42 H LYS 42 -10.866 -5.032 7.347 314 HA LYS 42 HA LYS 42 -11.386 -3.156 9.359 315 HB2 LYS 42 2HB LYS 42 -13.632 -4.189 9.358 316 HB3 LYS 42 1HB LYS 42 -13.070 -3.772 7.756 317 HG2 LYS 42 2HG LYS 42 -12.548 -6.082 7.304 318 HG3 LYS 42 1HG LYS 42 -12.999 -6.529 8.952 319 HD2 LYS 42 2HD LYS 42 -14.785 -7.028 7.343 320 HD3 LYS 42 1HD LYS 42 -15.288 -5.833 8.539 321 HE2 LYS 42 2HE LYS 42 -14.828 -4.043 6.911 322 HE3 LYS 42 1HE LYS 42 -14.394 -5.264 5.714 323 HZ1 LYS 42 3HZ LYS 42 -16.682 -4.429 5.485 324 HZ2 LYS 42 1HZ LYS 42 -17.058 -5.057 7.016 325 HZ3 LYS 42 2HZ LYS 42 -16.625 -6.103 5.746 326 H LYS 43 H LYS 43 -9.881 -6.074 9.553 327 HA LYS 43 HA LYS 43 -10.807 -6.780 12.195 328 HB2 LYS 43 2HB LYS 43 -8.977 -8.019 10.188 329 HB3 LYS 43 1HB LYS 43 -8.786 -8.463 11.878 330 HG2 LYS 43 2HG LYS 43 -11.443 -8.622 10.496 331 HG3 LYS 43 1HG LYS 43 -10.271 -9.942 10.431 332 HD2 LYS 43 2HD LYS 43 -10.280 -10.116 12.847 333 HD3 LYS 43 1HD LYS 43 -11.348 -8.715 12.969 334 HE2 LYS 43 2HE LYS 43 -12.068 -11.279 11.560 335 HE3 LYS 43 1HE LYS 43 -12.495 -10.918 13.231 336 HZ1 LYS 43 3HZ LYS 43 -14.338 -10.375 11.844 337 HZ2 LYS 43 1HZ LYS 43 -13.371 -9.444 10.806 338 HZ3 LYS 43 2HZ LYS 43 -13.660 -8.920 12.393 339 H LYS 44 H LYS 44 -8.873 -4.470 11.003 340 HA LYS 44 HA LYS 44 -7.422 -3.008 11.943 341 HB2 LYS 44 2HB LYS 44 -7.686 -4.694 14.444 342 HB3 LYS 44 1HB LYS 44 -6.920 -3.111 14.349 343 HG2 LYS 44 2HG LYS 44 -8.983 -2.045 13.898 344 HG3 LYS 44 1HG LYS 44 -9.798 -3.585 13.624 345 HD2 LYS 44 2HD LYS 44 -8.560 -2.879 16.274 346 HD3 LYS 44 1HD LYS 44 -10.209 -2.412 15.861 347 HE2 LYS 44 2HE LYS 44 -10.285 -4.454 17.120 348 HE3 LYS 44 1HE LYS 44 -10.727 -4.806 15.451 349 HZ1 LYS 44 3HZ LYS 44 -8.036 -5.272 16.637 350 HZ2 LYS 44 1HZ LYS 44 -8.526 -5.685 15.068 351 HZ3 LYS 44 2HZ LYS 44 -9.216 -6.468 16.401 352 H LEU 45 H LEU 45 -6.734 -5.799 10.837 353 HA LEU 45 HA LEU 45 -3.966 -5.920 11.820 354 HB2 LEU 45 2HB LEU 45 -5.529 -7.977 10.252 355 HB3 LEU 45 1HB LEU 45 -3.894 -8.168 10.848 356 HG LEU 45 HG LEU 45 -6.332 -7.850 12.606 357 HD11 LEU 45 1HD1 LEU 45 -6.333 -9.972 11.373 358 HD12 LEU 45 2HD1 LEU 45 -6.042 -10.221 13.094 359 HD13 LEU 45 3HD1 LEU 45 -4.702 -10.306 11.950 360 HD21 LEU 45 3HD2 LEU 45 -4.801 -8.515 14.409 361 HD22 LEU 45 1HD2 LEU 45 -4.294 -7.009 13.646 362 HD23 LEU 45 2HD2 LEU 45 -3.460 -8.514 13.262 363 H SER 46 H SER 46 -2.300 -5.528 10.448 364 HA SER 46 HA SER 46 -2.961 -4.562 7.788 365 HB2 SER 46 2HB SER 46 -0.520 -3.951 7.699 366 HB3 SER 46 1HB SER 46 -1.412 -3.187 9.010 367 HG SER 46 HG SER 46 -0.594 -5.023 10.324 368 H VAL 47 H VAL 47 -2.980 -5.827 6.097 369 HA VAL 47 HA VAL 47 -1.633 -8.421 6.233 370 HB VAL 47 HB VAL 47 -3.667 -7.383 4.251 371 HG11 VAL 47 1HG1 VAL 47 -2.271 -9.050 3.207 372 HG12 VAL 47 2HG1 VAL 47 -3.858 -9.741 3.539 373 HG13 VAL 47 3HG1 VAL 47 -2.491 -10.138 4.577 374 HG21 VAL 47 3HG2 VAL 47 -3.975 -9.280 6.574 375 HG22 VAL 47 1HG2 VAL 47 -5.220 -8.933 5.373 376 HG23 VAL 47 2HG2 VAL 47 -4.646 -7.655 6.444 377 H CYS 48 H CYS 48 0.053 -8.935 4.928 378 HA CYS 48 HA CYS 48 1.220 -6.783 3.369 379 HB2 CYS 48 2HB CYS 48 2.400 -9.522 3.846 380 HB3 CYS 48 1HB CYS 48 3.242 -8.031 3.437 381 H ALA 49 H ALA 49 -0.107 -6.694 1.634 382 HA ALA 49 HA ALA 49 -0.905 -9.064 0.215 383 HB1 ALA 49 1HB ALA 49 -2.111 -7.445 -1.226 384 HB2 ALA 49 2HB ALA 49 -1.366 -6.123 -0.324 385 HB3 ALA 49 3HB ALA 49 -2.474 -7.227 0.486 386 H ASN 50 H ASN 50 -0.334 -9.627 -1.858 387 HA ASN 50 HA ASN 50 2.430 -9.008 -2.453 388 HB2 ASN 50 2HB ASN 50 0.515 -10.860 -3.895 389 HB3 ASN 50 1HB ASN 50 2.255 -10.779 -4.139 390 HD21 ASN 50 1HD2 ASN 50 0.716 -10.692 -0.948 391 HD22 ASN 50 2HD2 ASN 50 1.267 -12.265 -0.476 392 HA PRO 51 HA PRO 51 1.142 -6.018 -5.547 393 HB2 PRO 51 2HB PRO 51 4.020 -5.919 -6.142 394 HB3 PRO 51 1HB PRO 51 2.936 -4.618 -5.636 395 HG2 PRO 51 2HG PRO 51 4.783 -5.604 -3.974 396 HG3 PRO 51 1HG PRO 51 3.182 -5.113 -3.386 397 HD2 PRO 51 2HD PRO 51 4.201 -7.868 -4.005 398 HD3 PRO 51 1HD PRO 51 3.268 -7.308 -2.598 399 H LYS 52 H LYS 52 1.972 -9.093 -5.913 400 HA LYS 52 HA LYS 52 2.648 -8.963 -8.765 401 HB2 LYS 52 2HB LYS 52 2.720 -11.393 -6.973 402 HB3 LYS 52 1HB LYS 52 3.480 -11.196 -8.547 403 HG2 LYS 52 2HG LYS 52 5.023 -9.555 -7.612 404 HG3 LYS 52 1HG LYS 52 4.245 -9.712 -6.035 405 HD2 LYS 52 2HD LYS 52 4.847 -12.128 -6.055 406 HD3 LYS 52 1HD LYS 52 5.754 -11.843 -7.542 407 HE2 LYS 52 2HE LYS 52 6.263 -10.558 -4.859 408 HE3 LYS 52 1HE LYS 52 7.230 -11.828 -5.602 409 HZ1 LYS 52 3HZ LYS 52 8.308 -9.744 -5.948 410 HZ2 LYS 52 1HZ LYS 52 6.896 -9.041 -6.578 411 HZ3 LYS 52 2HZ LYS 52 7.694 -10.260 -7.446 412 H GLN 53 H GLN 53 0.040 -9.531 -6.694 413 HA GLN 53 HA GLN 53 -1.299 -11.490 -8.385 414 HB2 GLN 53 2HB GLN 53 -2.915 -10.361 -6.249 415 HB3 GLN 53 1HB GLN 53 -2.427 -12.031 -6.507 416 HG2 GLN 53 2HG GLN 53 -0.444 -11.752 -5.259 417 HG3 GLN 53 1HG GLN 53 -0.567 -10.002 -5.325 418 HE21 GLN 53 1HE2 GLN 53 -1.990 -8.930 -3.981 419 HE22 GLN 53 2HE2 GLN 53 -2.719 -9.676 -2.624 420 H THR 54 H THR 54 -3.673 -10.971 -8.956 421 HA THR 54 HA THR 54 -3.742 -8.299 -10.106 422 HB THR 54 HB THR 54 -6.059 -9.347 -10.943 423 HG1 THR 54 1HG THR 54 -5.198 -11.657 -11.483 424 HG21 THR 54 3HG2 THR 54 -3.317 -9.849 -12.105 425 HG22 THR 54 1HG2 THR 54 -4.347 -8.442 -12.378 426 HG23 THR 54 2HG2 THR 54 -4.836 -10.024 -12.986 427 H TRP 55 H TRP 55 -5.466 -10.170 -7.662 428 HA TRP 55 HA TRP 55 -7.705 -8.507 -7.491 429 HB2 TRP 55 2HB TRP 55 -8.211 -9.541 -5.395 430 HB3 TRP 55 1HB TRP 55 -7.656 -10.751 -6.534 431 HD1 TRP 55 HD TRP 55 -5.459 -12.008 -5.899 432 HE1 TRP 55 1HE TRP 55 -4.059 -12.153 -3.809 433 HE3 TRP 55 3HE TRP 55 -7.386 -8.107 -3.586 434 HZ2 TRP 55 2HZ TRP 55 -3.777 -10.673 -1.403 435 HZ3 TRP 55 3HZ TRP 55 -6.544 -7.470 -1.480 436 HH2 TRP 55 HH TRP 55 -4.793 -8.695 -0.339 437 H VAL 56 H VAL 56 -4.523 -8.172 -6.167 438 HA VAL 56 HA VAL 56 -5.136 -6.071 -4.400 439 HB VAL 56 HB VAL 56 -2.610 -5.551 -5.065 440 HG11 VAL 56 1HG1 VAL 56 -3.535 -7.698 -3.202 441 HG12 VAL 56 2HG1 VAL 56 -3.333 -5.985 -2.829 442 HG13 VAL 56 3HG1 VAL 56 -1.924 -6.983 -3.186 443 HG21 VAL 56 3HG2 VAL 56 -2.630 -7.335 -6.778 444 HG22 VAL 56 1HG2 VAL 56 -2.746 -8.499 -5.457 445 HG23 VAL 56 2HG2 VAL 56 -1.338 -7.449 -5.584 446 H LYS 57 H LYS 57 -3.778 -6.276 -7.641 447 HA LYS 57 HA LYS 57 -3.481 -3.573 -8.193 448 HB2 LYS 57 2HB LYS 57 -4.244 -5.742 -10.156 449 HB3 LYS 57 1HB LYS 57 -3.522 -4.187 -10.560 450 HG2 LYS 57 2HG LYS 57 -1.524 -4.805 -9.282 451 HG3 LYS 57 1HG LYS 57 -2.245 -6.378 -8.939 452 HD2 LYS 57 2HD LYS 57 -2.354 -6.806 -11.379 453 HD3 LYS 57 1HD LYS 57 -1.510 -5.279 -11.650 454 HE2 LYS 57 2HE LYS 57 0.381 -6.108 -10.310 455 HE3 LYS 57 1HE LYS 57 -0.457 -7.646 -10.098 456 HZ1 LYS 57 3HZ LYS 57 0.474 -6.488 -12.676 457 HZ2 LYS 57 1HZ LYS 57 -0.391 -7.941 -12.523 458 HZ3 LYS 57 2HZ LYS 57 1.166 -7.797 -11.859 459 H TYR 58 H TYR 58 -6.342 -5.606 -8.400 460 HA TYR 58 HA TYR 58 -8.052 -3.724 -9.576 461 HB2 TYR 58 2HB TYR 58 -8.819 -5.953 -9.494 462 HB3 TYR 58 1HB TYR 58 -8.524 -6.081 -7.763 463 HD1 TYR 58 2HD TYR 58 -10.476 -3.817 -10.013 464 HD2 TYR 58 1HD TYR 58 -10.412 -6.178 -6.482 465 HE1 TYR 58 2HE TYR 58 -12.796 -3.169 -9.549 466 HE2 TYR 58 1HE TYR 58 -12.729 -5.543 -6.007 467 HH TYR 58 HH TYR 58 -14.718 -3.944 -8.298 468 H ILE 59 H ILE 59 -7.455 -4.532 -6.165 469 HA ILE 59 HA ILE 59 -9.235 -2.622 -5.085 470 HB ILE 59 HB ILE 59 -6.849 -3.943 -3.785 471 HG12 ILE 59 2HG1 ILE 59 -9.778 -4.654 -3.602 472 HG13 ILE 59 1HG1 ILE 59 -8.626 -5.478 -4.643 473 HG21 ILE 59 1HG2 ILE 59 -9.197 -2.518 -2.541 474 HG22 ILE 59 2HG2 ILE 59 -7.535 -1.930 -2.599 475 HG23 ILE 59 3HG2 ILE 59 -7.925 -3.376 -1.670 476 HD11 ILE 59 3HD1 ILE 59 -7.325 -6.115 -2.677 477 HD12 ILE 59 1HD1 ILE 59 -8.978 -6.732 -2.623 478 HD13 ILE 59 2HD1 ILE 59 -8.526 -5.329 -1.652 479 H VAL 60 H VAL 60 -5.680 -2.547 -5.497 480 HA VAL 60 HA VAL 60 -5.388 -0.027 -4.235 481 HB VAL 60 HB VAL 60 -3.488 -1.537 -4.417 482 HG11 VAL 60 1HG1 VAL 60 -3.972 -2.510 -6.606 483 HG12 VAL 60 2HG1 VAL 60 -2.329 -1.875 -6.546 484 HG13 VAL 60 3HG1 VAL 60 -3.592 -0.974 -7.384 485 HG21 VAL 60 3HG2 VAL 60 -1.786 0.051 -5.176 486 HG22 VAL 60 1HG2 VAL 60 -3.013 0.825 -4.176 487 HG23 VAL 60 2HG2 VAL 60 -3.045 1.033 -5.927 488 H ARG 61 H ARG 61 -6.153 -0.965 -7.510 489 HA ARG 61 HA ARG 61 -5.755 1.590 -8.692 490 HB2 ARG 61 2HB ARG 61 -5.932 -0.478 -10.018 491 HB3 ARG 61 1HB ARG 61 -7.599 -0.675 -9.499 492 HG2 ARG 61 2HG ARG 61 -8.327 1.150 -10.779 493 HG3 ARG 61 1HG ARG 61 -6.686 1.754 -11.006 494 HD2 ARG 61 2HD ARG 61 -7.496 0.718 -13.040 495 HD3 ARG 61 1HD ARG 61 -6.156 -0.207 -12.368 496 HE ARG 61 HE ARG 61 -8.884 -1.088 -11.745 497 HH11 ARG 61 1HH1 ARG 61 -5.864 -1.602 -13.455 498 HH12 ARG 61 2HH1 ARG 61 -6.303 -3.193 -14.012 499 HH21 ARG 61 1HH2 ARG 61 -9.454 -3.191 -12.496 500 HH22 ARG 61 2HH2 ARG 61 -8.328 -4.086 -13.470 501 H LEU 62 H LEU 62 -8.391 0.026 -7.009 502 HA LEU 62 HA LEU 62 -10.290 2.132 -7.477 503 HB2 LEU 62 2HB LEU 62 -10.801 -0.316 -7.064 504 HB3 LEU 62 1HB LEU 62 -10.385 -0.037 -5.385 505 HG LEU 62 HG LEU 62 -12.216 1.686 -5.304 506 HD11 LEU 62 1HD1 LEU 62 -12.896 0.491 -7.985 507 HD12 LEU 62 2HD1 LEU 62 -12.367 2.146 -7.684 508 HD13 LEU 62 3HD1 LEU 62 -13.920 1.590 -7.059 509 HD21 LEU 62 3HD2 LEU 62 -12.957 -1.154 -5.997 510 HD22 LEU 62 1HD2 LEU 62 -14.018 0.007 -5.200 511 HD23 LEU 62 2HD2 LEU 62 -12.543 -0.533 -4.398 512 H LEU 63 H LEU 63 -8.003 1.210 -5.013 513 HA LEU 63 HA LEU 63 -8.809 2.978 -2.965 514 HB2 LEU 63 2HB LEU 63 -6.581 1.190 -3.503 515 HB3 LEU 63 1HB LEU 63 -6.104 2.618 -2.610 516 HG LEU 63 HG LEU 63 -6.672 0.675 -1.161 517 HD11 LEU 63 1HD1 LEU 63 -8.507 3.040 -0.853 518 HD12 LEU 63 2HD1 LEU 63 -6.825 2.971 -0.331 519 HD13 LEU 63 3HD1 LEU 63 -8.021 1.913 0.415 520 HD21 LEU 63 3HD2 LEU 63 -8.986 0.044 -0.862 521 HD22 LEU 63 1HD2 LEU 63 -8.495 -0.244 -2.531 522 HD23 LEU 63 2HD2 LEU 63 -9.484 1.161 -2.130 523 H SER 64 H SER 64 -6.443 3.271 -5.579 524 HA SER 64 HA SER 64 -5.603 5.881 -4.740 525 HB2 SER 64 2HB SER 64 -4.427 5.877 -6.984 526 HB3 SER 64 1HB SER 64 -3.988 4.560 -5.894 527 HG SER 64 HG SER 64 -5.083 3.144 -7.123 528 H LYS 65 H LYS 65 -7.558 4.626 -7.435 529 HA LYS 65 HA LYS 65 -8.391 7.346 -8.090 530 HB2 LYS 65 2HB LYS 65 -7.652 5.678 -9.854 531 HB3 LYS 65 1HB LYS 65 -9.130 4.792 -9.519 532 HG2 LYS 65 2HG LYS 65 -10.461 6.694 -10.211 533 HG3 LYS 65 1HG LYS 65 -8.997 7.638 -10.503 534 HD2 LYS 65 2HD LYS 65 -8.309 5.875 -12.149 535 HD3 LYS 65 1HD LYS 65 -9.909 5.159 -11.947 536 HE2 LYS 65 2HE LYS 65 -9.406 7.994 -12.850 537 HE3 LYS 65 1HE LYS 65 -9.725 6.642 -13.932 538 HZ1 LYS 65 3HZ LYS 65 -11.874 6.343 -12.806 539 HZ2 LYS 65 1HZ LYS 65 -11.733 7.854 -13.554 540 HZ3 LYS 65 2HZ LYS 65 -11.571 7.723 -11.871 541 H LYS 66 H LYS 66 -9.491 7.295 -5.909 542 HA LYS 66 HA LYS 66 -11.866 5.788 -5.556 543 HB2 LYS 66 2HB LYS 66 -10.785 6.727 -3.617 544 HB3 LYS 66 1HB LYS 66 -10.923 8.354 -4.268 545 HG2 LYS 66 2HG LYS 66 -13.349 8.251 -4.052 546 HG3 LYS 66 1HG LYS 66 -13.233 6.598 -3.442 547 HD2 LYS 66 2HD LYS 66 -12.115 7.316 -1.470 548 HD3 LYS 66 1HD LYS 66 -11.879 8.941 -2.116 549 HE2 LYS 66 2HE LYS 66 -13.683 8.888 -0.464 550 HE3 LYS 66 1HE LYS 66 -14.282 9.328 -2.062 551 HZ1 LYS 66 3HZ LYS 66 -15.237 7.212 -2.342 552 HZ2 LYS 66 1HZ LYS 66 -15.649 7.689 -0.770 553 HZ3 LYS 66 2HZ LYS 66 -14.409 6.554 -1.017 554 H VAL 67 H VAL 67 -13.221 5.927 -7.274 555 HA VAL 67 HA VAL 67 -14.217 8.567 -8.036 556 HB VAL 67 HB VAL 67 -13.529 7.065 -9.853 557 HG11 VAL 67 1HG1 VAL 67 -13.976 4.923 -8.838 558 HG12 VAL 67 2HG1 VAL 67 -14.858 5.046 -10.361 559 HG13 VAL 67 3HG1 VAL 67 -15.708 5.248 -8.828 560 HG21 VAL 67 3HG2 VAL 67 -15.555 7.232 -11.228 561 HG22 VAL 67 1HG2 VAL 67 -15.258 8.705 -10.307 562 HG23 VAL 67 2HG2 VAL 67 -16.501 7.571 -9.778 563 H LYS 68 H LYS 68 -14.968 5.929 -6.079 564 HA LYS 68 HA LYS 68 -17.820 6.087 -6.348 565 HB2 LYS 68 2HB LYS 68 -16.679 3.969 -5.743 566 HB3 LYS 68 1HB LYS 68 -16.218 4.688 -4.203 567 HG2 LYS 68 2HG LYS 68 -18.195 3.234 -4.020 568 HG3 LYS 68 1HG LYS 68 -18.531 4.906 -3.555 569 HD2 LYS 68 2HD LYS 68 -19.464 5.309 -5.809 570 HD3 LYS 68 1HD LYS 68 -19.199 3.611 -6.204 571 HE2 LYS 68 2HE LYS 68 -20.931 4.612 -3.953 572 HE3 LYS 68 1HE LYS 68 -21.528 4.118 -5.533 573 HZ1 LYS 68 3HZ LYS 68 -21.773 2.346 -3.939 574 HZ2 LYS 68 1HZ LYS 68 -20.119 2.389 -3.572 575 HZ3 LYS 68 2HZ LYS 68 -20.633 1.898 -5.112 576 H ASN 69 H ASN 69 -18.807 7.825 -5.699 577 HA ASN 69 HA ASN 69 -18.245 8.893 -3.007 578 HB2 ASN 69 2HB ASN 69 -17.690 10.554 -4.700 579 HB3 ASN 69 1HB ASN 69 -19.245 10.319 -5.490 580 HD21 ASN 69 1HD2 ASN 69 -18.533 10.634 -2.034 581 HD22 ASN 69 2HD2 ASN 69 -19.468 12.074 -1.810 582 H MET 70 H MET 70 -19.908 8.774 -1.605 583 HA MET 70 HA MET 70 -22.614 8.351 -2.686 584 HB2 MET 70 2HB MET 70 -21.703 6.254 -1.731 585 HB3 MET 70 1HB MET 70 -21.441 7.080 -0.199 586 HG2 MET 70 2HG MET 70 -23.877 7.498 -0.061 587 HG3 MET 70 1HG MET 70 -24.090 6.548 -1.529 588 HE1 MET 70 3HE MET 70 -23.216 6.513 2.277 589 HE2 MET 70 1HE MET 70 -21.683 6.019 1.557 590 HE3 MET 70 2HE MET 70 -22.623 4.869 2.510 Start of MODEL 14 1 H1 ALA 1 1HT ALA 1 13.188 9.289 2.083 2 H2 ALA 1 2HT ALA 1 13.820 7.928 1.321 3 H3 ALA 1 3HT ALA 1 14.835 9.240 1.678 4 HA ALA 1 HA ALA 1 15.273 7.545 3.256 5 HB1 ALA 1 1HB ALA 1 13.531 9.655 4.535 6 HB2 ALA 1 2HB ALA 1 15.221 9.870 4.077 7 HB3 ALA 1 3HB ALA 1 14.788 8.702 5.326 8 H SER 2 H SER 2 14.508 6.087 4.921 9 HA SER 2 HA SER 2 12.070 4.834 4.034 10 HB2 SER 2 2HB SER 2 12.820 3.094 5.794 11 HB3 SER 2 1HB SER 2 13.803 3.298 4.345 12 HG SER 2 HG SER 2 14.382 3.892 6.987 13 H ASN 3 H ASN 3 10.432 6.244 4.766 14 HA ASN 3 HA ASN 3 9.880 6.711 7.511 15 HB2 ASN 3 2HB ASN 3 8.657 7.911 5.740 16 HB3 ASN 3 1HB ASN 3 7.977 6.394 5.163 17 HD21 ASN 3 1HD2 ASN 3 5.866 6.995 5.454 18 HD22 ASN 3 2HD2 ASN 3 5.160 7.216 7.025 19 H PHE 4 H PHE 4 9.010 4.215 5.246 20 HA PHE 4 HA PHE 4 8.957 2.280 7.444 21 HB2 PHE 4 2HB PHE 4 7.276 0.979 6.199 22 HB3 PHE 4 1HB PHE 4 6.658 2.570 6.585 23 HD1 PHE 4 1HD PHE 4 7.981 0.444 3.939 24 HD2 PHE 4 2HD PHE 4 6.085 4.141 4.832 25 HE1 PHE 4 1HE PHE 4 7.533 0.775 1.563 26 HE2 PHE 4 2HE PHE 4 5.624 4.478 2.430 27 HZ PHE 4 HZ PHE 4 6.360 2.765 0.799 28 H ASP 5 H ASP 5 8.979 0.004 5.962 29 HA ASP 5 HA ASP 5 11.032 0.403 3.935 30 HB2 ASP 5 2HB ASP 5 12.020 -1.807 4.681 31 HB3 ASP 5 1HB ASP 5 12.281 -0.427 5.739 32 H CYS 6 H CYS 6 9.792 -2.572 4.905 33 HA CYS 6 HA CYS 6 8.083 -2.951 2.644 34 HB2 CYS 6 2HB CYS 6 9.303 -5.056 2.029 35 HB3 CYS 6 1HB CYS 6 10.228 -3.594 1.725 36 H CYS 7 H CYS 7 7.649 -5.692 2.928 37 HA CYS 7 HA CYS 7 6.746 -5.863 5.715 38 HB2 CYS 7 2HB CYS 7 4.957 -5.956 4.013 39 HB3 CYS 7 1HB CYS 7 5.720 -7.379 3.305 40 H LEU 8 H LEU 8 6.810 -7.977 6.751 41 HA LEU 8 HA LEU 8 9.349 -9.252 6.325 42 HB2 LEU 8 2HB LEU 8 7.113 -9.935 8.238 43 HB3 LEU 8 1HB LEU 8 8.721 -10.630 8.273 44 HG LEU 8 HG LEU 8 8.045 -7.728 8.760 45 HD11 LEU 8 1HD1 LEU 8 8.974 -9.902 10.622 46 HD12 LEU 8 2HD1 LEU 8 7.385 -9.133 10.612 47 HD13 LEU 8 3HD1 LEU 8 8.818 -8.197 11.037 48 HD21 LEU 8 3HD2 LEU 8 10.214 -7.991 7.656 49 HD22 LEU 8 1HD2 LEU 8 10.702 -9.147 8.897 50 HD23 LEU 8 2HD2 LEU 8 10.390 -7.467 9.329 51 H GLY 9 H GLY 9 6.032 -9.917 5.553 52 HA2 GLY 9 2HA GLY 9 6.785 -11.975 3.712 53 HA3 GLY 9 1HA GLY 9 5.951 -12.618 5.120 54 H TYR 10 H TYR 10 5.260 -12.209 2.142 55 HA TYR 10 HA TYR 10 3.082 -10.321 2.193 56 HB2 TYR 10 2HB TYR 10 3.815 -12.364 0.093 57 HB3 TYR 10 1HB TYR 10 2.612 -11.110 -0.089 58 HD1 TYR 10 1HD TYR 10 6.247 -11.518 0.648 59 HD2 TYR 10 2HD TYR 10 3.203 -9.126 -1.140 60 HE1 TYR 10 1HE TYR 10 7.964 -10.041 -0.303 61 HE2 TYR 10 2HE TYR 10 4.918 -7.645 -2.073 62 HH TYR 10 HH TYR 10 7.120 -7.044 -1.886 63 H THR 11 H THR 11 0.932 -11.075 1.295 64 HA THR 11 HA THR 11 -0.030 -13.345 2.819 65 HB THR 11 HB THR 11 -1.307 -11.200 2.735 66 HG1 THR 11 1HG THR 11 -2.342 -13.289 3.113 67 HG21 THR 11 3HG2 THR 11 -0.892 -10.570 0.435 68 HG22 THR 11 1HG2 THR 11 -2.628 -10.702 0.710 69 HG23 THR 11 2HG2 THR 11 -1.768 -11.988 -0.139 70 H ASP 12 H ASP 12 -1.891 -14.536 1.439 71 HA ASP 12 HA ASP 12 -0.847 -15.303 -1.196 72 HB2 ASP 12 2HB ASP 12 -1.011 -17.674 -0.632 73 HB3 ASP 12 1HB ASP 12 0.084 -16.877 0.493 74 H ARG 13 H ARG 13 -3.316 -14.103 0.421 75 HA ARG 13 HA ARG 13 -5.382 -16.044 -0.255 76 HB2 ARG 13 2HB ARG 13 -5.689 -13.456 1.265 77 HB3 ARG 13 1HB ARG 13 -6.748 -14.870 1.305 78 HG2 ARG 13 2HG ARG 13 -4.972 -16.189 2.377 79 HG3 ARG 13 1HG ARG 13 -3.921 -14.772 2.353 80 HD2 ARG 13 2HD ARG 13 -5.697 -13.598 3.724 81 HD3 ARG 13 1HD ARG 13 -6.456 -15.181 3.922 82 HE ARG 13 HE ARG 13 -3.645 -14.779 4.702 83 HH11 ARG 13 1HH1 ARG 13 -6.934 -15.665 5.538 84 HH12 ARG 13 2HH1 ARG 13 -6.502 -16.192 7.137 85 HH21 ARG 13 1HH2 ARG 13 -3.100 -15.478 6.800 86 HH22 ARG 13 2HH2 ARG 13 -4.337 -16.069 7.865 87 H ILE 14 H ILE 14 -7.588 -14.797 -0.583 88 HA ILE 14 HA ILE 14 -7.265 -12.619 -2.535 89 HB ILE 14 HB ILE 14 -9.490 -14.649 -2.277 90 HG12 ILE 14 2HG1 ILE 14 -7.218 -15.123 -3.539 91 HG13 ILE 14 1HG1 ILE 14 -8.757 -15.648 -4.217 92 HG21 ILE 14 1HG2 ILE 14 -10.456 -12.496 -2.765 93 HG22 ILE 14 2HG2 ILE 14 -10.528 -13.511 -4.205 94 HG23 ILE 14 3HG2 ILE 14 -9.307 -12.244 -4.078 95 HD11 ILE 14 3HD1 ILE 14 -7.228 -13.170 -4.960 96 HD12 ILE 14 1HD1 ILE 14 -8.799 -13.640 -5.615 97 HD13 ILE 14 2HD1 ILE 14 -7.377 -14.646 -5.919 98 H LEU 15 H LEU 15 -7.217 -11.042 -0.877 99 HA LEU 15 HA LEU 15 -9.471 -10.888 0.961 100 HB2 LEU 15 2HB LEU 15 -7.025 -9.136 0.620 101 HB3 LEU 15 1HB LEU 15 -8.307 -8.790 1.768 102 HG LEU 15 HG LEU 15 -6.614 -9.796 3.038 103 HD11 LEU 15 1HD1 LEU 15 -7.520 -11.964 3.737 104 HD12 LEU 15 2HD1 LEU 15 -8.557 -11.983 2.310 105 HD13 LEU 15 3HD1 LEU 15 -8.782 -10.747 3.548 106 HD21 LEU 15 3HD2 LEU 15 -6.374 -11.813 0.815 107 HD22 LEU 15 1HD2 LEU 15 -5.551 -11.948 2.372 108 HD23 LEU 15 2HD2 LEU 15 -5.192 -10.596 1.297 109 H HIS 16 H HIS 16 -10.556 -8.655 1.125 110 HA HIS 16 HA HIS 16 -10.953 -7.644 -1.605 111 HB2 HIS 16 2HB HIS 16 -13.091 -8.517 0.323 112 HB3 HIS 16 1HB HIS 16 -13.403 -7.597 -1.146 113 HD1 HIS 16 1HD HIS 16 -14.614 -10.336 -0.670 114 HD2 HIS 16 2HD HIS 16 -11.033 -9.749 -2.694 115 HE1 HIS 16 1HE HIS 16 -14.440 -12.220 -2.236 116 HE2 HIS 16 2HE HIS 16 -12.400 -11.765 -3.644 117 HA PRO 17 HA PRO 17 -11.515 -3.595 0.259 118 HB2 PRO 17 2HB PRO 17 -13.627 -2.704 -1.259 119 HB3 PRO 17 1HB PRO 17 -11.944 -2.646 -1.787 120 HG2 PRO 17 2HG PRO 17 -14.075 -4.624 -2.471 121 HG3 PRO 17 1HG PRO 17 -12.822 -3.920 -3.509 122 HD2 PRO 17 2HD PRO 17 -12.626 -6.419 -2.492 123 HD3 PRO 17 1HD PRO 17 -11.203 -5.384 -2.760 124 H LYS 18 H LYS 18 -13.867 -6.020 -0.178 125 HA LYS 18 HA LYS 18 -16.052 -5.328 1.330 126 HB2 LYS 18 2HB LYS 18 -14.568 -7.940 1.043 127 HB3 LYS 18 1HB LYS 18 -16.091 -7.842 1.893 128 HG2 LYS 18 2HG LYS 18 -17.180 -7.085 -0.159 129 HG3 LYS 18 1HG LYS 18 -15.640 -7.175 -1.006 130 HD2 LYS 18 2HD LYS 18 -15.530 -9.536 -0.679 131 HD3 LYS 18 1HD LYS 18 -16.926 -9.504 0.398 132 HE2 LYS 18 2HE LYS 18 -17.068 -8.650 -2.479 133 HE3 LYS 18 1HE LYS 18 -17.337 -10.313 -1.956 134 HZ1 LYS 18 3HZ LYS 18 -19.419 -9.127 -2.153 135 HZ2 LYS 18 1HZ LYS 18 -18.889 -7.942 -1.061 136 HZ3 LYS 18 2HZ LYS 18 -19.130 -9.537 -0.538 137 H PHE 19 H PHE 19 -12.801 -6.019 2.413 138 HA PHE 19 HA PHE 19 -13.695 -5.850 5.216 139 HB2 PHE 19 2HB PHE 19 -11.474 -7.626 4.179 140 HB3 PHE 19 1HB PHE 19 -12.064 -7.543 5.836 141 HD1 PHE 19 1HD PHE 19 -14.286 -8.461 6.400 142 HD2 PHE 19 2HD PHE 19 -12.593 -8.908 2.519 143 HE1 PHE 19 1HE PHE 19 -15.907 -10.244 5.904 144 HE2 PHE 19 2HE PHE 19 -14.223 -10.686 2.007 145 HZ PHE 19 HZ PHE 19 -15.878 -11.357 3.706 146 H ILE 20 H ILE 20 -12.274 -4.025 3.092 147 HA ILE 20 HA ILE 20 -9.786 -3.537 4.575 148 HB ILE 20 HB ILE 20 -10.487 -3.037 1.721 149 HG12 ILE 20 2HG1 ILE 20 -9.670 -5.209 2.025 150 HG13 ILE 20 1HG1 ILE 20 -8.272 -4.279 1.542 151 HG21 ILE 20 1HG2 ILE 20 -8.087 -1.989 3.218 152 HG22 ILE 20 2HG2 ILE 20 -9.379 -1.019 2.512 153 HG23 ILE 20 3HG2 ILE 20 -8.301 -1.945 1.468 154 HD11 ILE 20 3HD1 ILE 20 -8.936 -5.222 4.297 155 HD12 ILE 20 1HD1 ILE 20 -7.638 -4.083 3.931 156 HD13 ILE 20 2HD1 ILE 20 -7.588 -5.718 3.278 157 H VAL 21 H VAL 21 -9.546 -1.723 5.702 158 HA VAL 21 HA VAL 21 -11.343 0.536 5.101 159 HB VAL 21 HB VAL 21 -11.086 1.209 7.496 160 HG11 VAL 21 1HG1 VAL 21 -13.097 0.091 6.771 161 HG12 VAL 21 2HG1 VAL 21 -12.649 -0.494 8.372 162 HG13 VAL 21 3HG1 VAL 21 -12.325 -1.484 6.949 163 HG21 VAL 21 3HG2 VAL 21 -9.031 -0.002 8.009 164 HG22 VAL 21 1HG2 VAL 21 -9.865 -1.540 7.781 165 HG23 VAL 21 2HG2 VAL 21 -10.325 -0.476 9.110 166 H GLY 22 H GLY 22 -8.231 -0.500 4.884 167 HA2 GLY 22 2HA GLY 22 -7.233 2.210 4.588 168 HA3 GLY 22 1HA GLY 22 -6.467 1.271 5.862 169 H PHE 23 H PHE 23 -5.115 2.299 3.609 170 HA PHE 23 HA PHE 23 -3.973 -0.136 2.504 171 HB2 PHE 23 2HB PHE 23 -5.459 -0.023 0.813 172 HB3 PHE 23 1HB PHE 23 -5.744 1.701 1.015 173 HD1 PHE 23 2HD PHE 23 -3.446 -0.811 -0.354 174 HD2 PHE 23 1HD PHE 23 -4.580 3.269 -0.180 175 HE1 PHE 23 2HE PHE 23 -1.958 -0.331 -2.241 176 HE2 PHE 23 1HE PHE 23 -3.106 3.766 -2.088 177 HZ PHE 23 HZ PHE 23 -1.791 1.945 -3.086 178 H THR 24 H THR 24 -1.888 0.099 2.178 179 HA THR 24 HA THR 24 -0.733 2.761 1.836 180 HB THR 24 HB THR 24 0.319 0.796 3.879 181 HG1 THR 24 1HG THR 24 -1.305 3.126 4.138 182 HG21 THR 24 3HG2 THR 24 1.077 3.650 3.222 183 HG22 THR 24 1HG2 THR 24 2.054 2.214 2.924 184 HG23 THR 24 2HG2 THR 24 1.718 2.724 4.580 185 H ARG 25 H ARG 25 0.229 2.465 -0.176 186 HA ARG 25 HA ARG 25 1.314 -0.108 -0.860 187 HB2 ARG 25 2HB ARG 25 1.900 0.835 -3.002 188 HB3 ARG 25 1HB ARG 25 0.258 1.298 -2.577 189 HG2 ARG 25 2HG ARG 25 0.939 3.527 -2.075 190 HG3 ARG 25 1HG ARG 25 2.646 3.094 -2.201 191 HD2 ARG 25 2HD ARG 25 1.982 4.251 -4.201 192 HD3 ARG 25 1HD ARG 25 2.283 2.561 -4.597 193 HE ARG 25 HE ARG 25 -0.473 3.330 -4.045 194 HH11 ARG 25 1HH1 ARG 25 1.988 2.575 -6.436 195 HH12 ARG 25 2HH1 ARG 25 0.834 2.289 -7.701 196 HH21 ARG 25 1HH2 ARG 25 -1.984 2.977 -5.729 197 HH22 ARG 25 2HH2 ARG 25 -1.411 2.514 -7.310 198 H GLN 26 H GLN 26 3.080 -0.804 -0.030 199 HA GLN 26 HA GLN 26 5.142 1.056 0.850 200 HB2 GLN 26 2HB GLN 26 4.631 -0.222 2.644 201 HB3 GLN 26 1HB GLN 26 4.050 -1.553 1.665 202 HG2 GLN 26 2HG GLN 26 6.469 -2.086 1.216 203 HG3 GLN 26 1HG GLN 26 6.842 -0.926 2.501 204 HE21 GLN 26 1HE2 GLN 26 6.044 -1.311 4.591 205 HE22 GLN 26 2HE2 GLN 26 5.626 -2.906 5.094 206 H LEU 27 H LEU 27 7.307 0.854 0.136 207 HA LEU 27 HA LEU 27 7.387 -0.444 -2.515 208 HB2 LEU 27 2HB LEU 27 8.234 2.362 -1.812 209 HB3 LEU 27 1HB LEU 27 8.482 1.600 -3.370 210 HG LEU 27 HG LEU 27 5.789 2.188 -2.134 211 HD11 LEU 27 1HD1 LEU 27 7.224 3.532 -4.420 212 HD12 LEU 27 2HD1 LEU 27 6.994 4.219 -2.811 213 HD13 LEU 27 3HD1 LEU 27 5.599 3.903 -3.845 214 HD21 LEU 27 3HD2 LEU 27 5.770 0.230 -3.603 215 HD22 LEU 27 1HD2 LEU 27 6.527 1.185 -4.879 216 HD23 LEU 27 2HD2 LEU 27 4.901 1.587 -4.321 217 H ALA 28 H ALA 28 9.451 -0.677 -3.477 218 HA ALA 28 HA ALA 28 11.604 -1.161 -1.554 219 HB1 ALA 28 1HB ALA 28 12.487 -2.670 -3.279 220 HB2 ALA 28 2HB ALA 28 11.151 -2.223 -4.342 221 HB3 ALA 28 3HB ALA 28 10.830 -3.084 -2.836 222 H ASN 29 H ASN 29 11.009 1.497 -2.613 223 HA ASN 29 HA ASN 29 13.202 1.939 -4.500 224 HB2 ASN 29 2HB ASN 29 10.990 3.814 -3.638 225 HB3 ASN 29 1HB ASN 29 12.227 4.181 -4.834 226 HD21 ASN 29 1HD2 ASN 29 12.164 1.489 -6.017 227 HD22 ASN 29 2HD2 ASN 29 10.682 1.413 -6.921 228 H GLU 30 H GLU 30 11.872 3.942 -1.874 229 HA GLU 30 HA GLU 30 14.637 4.495 -1.048 230 HB2 GLU 30 2HB GLU 30 13.775 6.622 -0.148 231 HB3 GLU 30 1HB GLU 30 13.478 6.475 -1.875 232 HG2 GLU 30 2HG GLU 30 11.166 5.880 -1.448 233 HG3 GLU 30 1HG GLU 30 11.453 5.942 0.290 234 H GLY 31 H GLY 31 12.848 2.250 -0.205 235 HA2 GLY 31 2HA GLY 31 12.818 2.851 2.683 236 HA3 GLY 31 1HA GLY 31 11.469 2.035 1.914 237 H CYS 32 H CYS 32 12.062 0.006 0.715 238 HA CYS 32 HA CYS 32 14.180 -1.454 2.132 239 HB2 CYS 32 2HB CYS 32 11.923 -1.942 3.055 240 HB3 CYS 32 1HB CYS 32 11.423 -2.499 1.468 241 H ASP 33 H ASP 33 14.101 -3.846 0.897 242 HA ASP 33 HA ASP 33 14.767 -3.180 -1.876 243 HB2 ASP 33 2HB ASP 33 15.188 -5.889 -0.646 244 HB3 ASP 33 1HB ASP 33 16.107 -5.100 -1.920 245 H ILE 34 H ILE 34 12.463 -4.896 0.042 246 HA ILE 34 HA ILE 34 11.179 -5.917 -2.403 247 HB ILE 34 HB ILE 34 10.379 -7.725 -1.281 248 HG12 ILE 34 2HG1 ILE 34 10.191 -6.098 1.263 249 HG13 ILE 34 1HG1 ILE 34 8.866 -6.376 0.140 250 HG21 ILE 34 1HG2 ILE 34 11.865 -8.526 0.483 251 HG22 ILE 34 2HG2 ILE 34 12.494 -6.894 0.701 252 HG23 ILE 34 3HG2 ILE 34 12.781 -7.755 -0.813 253 HD11 ILE 34 3HD1 ILE 34 8.975 -8.766 0.613 254 HD12 ILE 34 1HD1 ILE 34 8.692 -7.817 2.073 255 HD13 ILE 34 2HD1 ILE 34 10.295 -8.479 1.746 256 H ASN 35 H ASN 35 8.761 -5.652 -2.466 257 HA ASN 35 HA ASN 35 7.876 -3.357 -0.845 258 HB2 ASN 35 2HB ASN 35 6.736 -2.399 -2.830 259 HB3 ASN 35 1HB ASN 35 8.483 -2.439 -3.023 260 HD21 ASN 35 1HD2 ASN 35 9.394 -3.878 -4.522 261 HD22 ASN 35 2HD2 ASN 35 8.444 -4.625 -5.754 262 H ALA 36 H ALA 36 5.888 -3.578 0.038 263 HA ALA 36 HA ALA 36 4.111 -5.620 -1.155 264 HB1 ALA 36 1HB ALA 36 4.581 -5.223 1.797 265 HB2 ALA 36 2HB ALA 36 5.128 -6.591 0.827 266 HB3 ALA 36 3HB ALA 36 3.403 -6.323 1.082 267 H ILE 37 H ILE 37 1.929 -5.209 -1.124 268 HA ILE 37 HA ILE 37 1.177 -2.437 -0.667 269 HB ILE 37 HB ILE 37 -0.474 -4.724 -1.767 270 HG12 ILE 37 2HG1 ILE 37 1.455 -4.234 -3.191 271 HG13 ILE 37 1HG1 ILE 37 -0.035 -3.712 -3.970 272 HG21 ILE 37 1HG2 ILE 37 -1.940 -2.929 -2.604 273 HG22 ILE 37 2HG2 ILE 37 -0.945 -1.749 -1.750 274 HG23 ILE 37 3HG2 ILE 37 -1.850 -2.958 -0.843 275 HD11 ILE 37 3HD1 ILE 37 1.956 -1.944 -2.558 276 HD12 ILE 37 1HD1 ILE 37 0.447 -1.400 -3.290 277 HD13 ILE 37 2HD1 ILE 37 1.722 -2.080 -4.300 278 H ILE 38 H ILE 38 0.733 -1.983 1.441 279 HA ILE 38 HA ILE 38 -0.266 -4.040 3.200 280 HB ILE 38 HB ILE 38 0.092 -1.099 3.794 281 HG12 ILE 38 2HG1 ILE 38 1.987 -3.379 4.376 282 HG13 ILE 38 1HG1 ILE 38 2.182 -2.262 3.028 283 HG21 ILE 38 1HG2 ILE 38 -0.099 -3.484 5.631 284 HG22 ILE 38 2HG2 ILE 38 -1.374 -2.297 5.358 285 HG23 ILE 38 3HG2 ILE 38 0.137 -1.808 6.126 286 HD11 ILE 38 3HD1 ILE 38 2.191 -1.535 5.948 287 HD12 ILE 38 1HD1 ILE 38 2.388 -0.406 4.607 288 HD13 ILE 38 2HD1 ILE 38 3.602 -1.652 4.900 289 H PHE 39 H PHE 39 -2.362 -4.603 2.754 290 HA PHE 39 HA PHE 39 -4.387 -2.494 2.703 291 HB2 PHE 39 2HB PHE 39 -4.620 -5.501 2.442 292 HB3 PHE 39 1HB PHE 39 -6.005 -4.424 2.501 293 HD1 PHE 39 1HD PHE 39 -5.057 -2.188 0.766 294 HD2 PHE 39 2HD PHE 39 -4.711 -6.412 0.342 295 HE1 PHE 39 1HE PHE 39 -4.946 -1.929 -1.692 296 HE2 PHE 39 2HE PHE 39 -4.589 -6.164 -2.096 297 HZ PHE 39 HZ PHE 39 -4.690 -3.941 -3.118 298 H HIS 40 H HIS 40 -5.399 -1.844 4.486 299 HA HIS 40 HA HIS 40 -4.806 -3.289 6.975 300 HB2 HIS 40 2HB HIS 40 -5.995 -0.517 6.690 301 HB3 HIS 40 1HB HIS 40 -5.337 -1.241 8.149 302 HD1 HIS 40 1HD HIS 40 -3.067 -0.359 8.708 303 HD2 HIS 40 2HD HIS 40 -3.807 -0.333 4.622 304 HE1 HIS 40 1HE HIS 40 -1.036 0.704 7.634 305 HE2 HIS 40 2HE HIS 40 -1.665 0.970 5.223 306 H THR 41 H THR 41 -6.324 -4.716 7.507 307 HA THR 41 HA THR 41 -8.966 -4.572 6.404 308 HB THR 41 HB THR 41 -9.404 -6.638 7.675 309 HG1 THR 41 1HG THR 41 -6.704 -6.464 8.546 310 HG21 THR 41 3HG2 THR 41 -8.352 -6.801 5.476 311 HG22 THR 41 1HG2 THR 41 -7.759 -8.060 6.558 312 HG23 THR 41 2HG2 THR 41 -6.759 -6.647 6.219 313 H LYS 42 H LYS 42 -10.922 -4.514 7.565 314 HA LYS 42 HA LYS 42 -11.075 -2.766 9.798 315 HB2 LYS 42 2HB LYS 42 -12.923 -3.172 8.146 316 HB3 LYS 42 1HB LYS 42 -13.136 -4.770 8.843 317 HG2 LYS 42 2HG LYS 42 -13.542 -3.581 11.053 318 HG3 LYS 42 1HG LYS 42 -13.686 -2.104 10.100 319 HD2 LYS 42 2HD LYS 42 -15.486 -3.117 8.792 320 HD3 LYS 42 1HD LYS 42 -15.332 -4.604 9.727 321 HE2 LYS 42 2HE LYS 42 -16.173 -1.899 10.753 322 HE3 LYS 42 1HE LYS 42 -17.191 -3.325 10.565 323 HZ1 LYS 42 3HZ LYS 42 -15.619 -4.434 12.189 324 HZ2 LYS 42 1HZ LYS 42 -16.631 -3.233 12.826 325 HZ3 LYS 42 2HZ LYS 42 -15.003 -2.887 12.511 326 H LYS 43 H LYS 43 -10.105 -5.925 9.481 327 HA LYS 43 HA LYS 43 -11.084 -6.860 12.032 328 HB2 LYS 43 2HB LYS 43 -11.004 -8.271 9.920 329 HB3 LYS 43 1HB LYS 43 -9.260 -8.315 10.127 330 HG2 LYS 43 2HG LYS 43 -9.488 -9.466 12.227 331 HG3 LYS 43 1HG LYS 43 -11.245 -9.306 12.161 332 HD2 LYS 43 2HD LYS 43 -9.551 -10.829 10.179 333 HD3 LYS 43 1HD LYS 43 -10.491 -11.552 11.487 334 HE2 LYS 43 2HE LYS 43 -11.640 -9.890 9.247 335 HE3 LYS 43 1HE LYS 43 -11.623 -11.650 9.277 336 HZ1 LYS 43 3HZ LYS 43 -13.704 -10.386 10.065 337 HZ2 LYS 43 1HZ LYS 43 -12.843 -10.151 11.503 338 HZ3 LYS 43 2HZ LYS 43 -13.172 -11.724 10.961 339 H LYS 44 H LYS 44 -8.878 -4.765 11.369 340 HA LYS 44 HA LYS 44 -7.238 -3.830 12.623 341 HB2 LYS 44 2HB LYS 44 -7.596 -6.190 14.472 342 HB3 LYS 44 1HB LYS 44 -6.682 -4.733 14.834 343 HG2 LYS 44 2HG LYS 44 -8.683 -3.403 14.798 344 HG3 LYS 44 1HG LYS 44 -9.635 -4.782 14.243 345 HD2 LYS 44 2HD LYS 44 -10.019 -4.523 16.590 346 HD3 LYS 44 1HD LYS 44 -9.013 -5.955 16.365 347 HE2 LYS 44 2HE LYS 44 -8.116 -4.751 18.201 348 HE3 LYS 44 1HE LYS 44 -7.020 -4.514 16.842 349 HZ1 LYS 44 3HZ LYS 44 -9.104 -2.581 17.718 350 HZ2 LYS 44 1HZ LYS 44 -7.992 -2.352 16.459 351 HZ3 LYS 44 2HZ LYS 44 -7.451 -2.460 18.060 352 H LEU 45 H LEU 45 -6.859 -6.239 10.690 353 HA LEU 45 HA LEU 45 -4.077 -6.821 11.454 354 HB2 LEU 45 2HB LEU 45 -5.944 -8.418 9.696 355 HB3 LEU 45 1HB LEU 45 -4.265 -8.820 9.998 356 HG LEU 45 HG LEU 45 -6.428 -8.724 12.101 357 HD11 LEU 45 1HD1 LEU 45 -6.241 -11.152 12.108 358 HD12 LEU 45 2HD1 LEU 45 -5.071 -11.075 10.792 359 HD13 LEU 45 3HD1 LEU 45 -6.735 -10.561 10.523 360 HD21 LEU 45 3HD2 LEU 45 -4.178 -8.182 12.942 361 HD22 LEU 45 1HD2 LEU 45 -3.577 -9.697 12.269 362 HD23 LEU 45 2HD2 LEU 45 -4.776 -9.721 13.562 363 H SER 46 H SER 46 -2.441 -6.507 10.006 364 HA SER 46 HA SER 46 -3.120 -4.930 7.640 365 HB2 SER 46 2HB SER 46 -0.617 -4.445 7.668 366 HB3 SER 46 1HB SER 46 -1.550 -3.800 9.018 367 HG SER 46 HG SER 46 -0.004 -4.781 10.112 368 H VAL 47 H VAL 47 -3.300 -6.021 5.815 369 HA VAL 47 HA VAL 47 -1.926 -8.575 5.510 370 HB VAL 47 HB VAL 47 -3.982 -7.263 3.721 371 HG11 VAL 47 1HG1 VAL 47 -2.917 -10.085 3.707 372 HG12 VAL 47 2HG1 VAL 47 -2.529 -8.833 2.527 373 HG13 VAL 47 3HG1 VAL 47 -4.180 -9.442 2.653 374 HG21 VAL 47 3HG2 VAL 47 -4.284 -9.453 5.768 375 HG22 VAL 47 1HG2 VAL 47 -5.537 -8.925 4.645 376 HG23 VAL 47 2HG2 VAL 47 -4.933 -7.818 5.877 377 H CYS 48 H CYS 48 -0.025 -8.663 4.510 378 HA CYS 48 HA CYS 48 0.883 -6.441 2.913 379 HB2 CYS 48 2HB CYS 48 2.234 -9.067 3.572 380 HB3 CYS 48 1HB CYS 48 2.999 -7.691 2.776 381 H ALA 49 H ALA 49 -0.397 -6.424 1.163 382 HA ALA 49 HA ALA 49 -1.127 -8.763 -0.267 383 HB1 ALA 49 1HB ALA 49 -2.532 -6.748 -0.119 384 HB2 ALA 49 2HB ALA 49 -2.220 -7.212 -1.792 385 HB3 ALA 49 3HB ALA 49 -1.346 -5.858 -1.071 386 H ASN 50 H ASN 50 -0.409 -9.559 -2.163 387 HA ASN 50 HA ASN 50 2.329 -8.967 -2.854 388 HB2 ASN 50 2HB ASN 50 0.347 -10.866 -4.147 389 HB3 ASN 50 1HB ASN 50 2.062 -10.789 -4.509 390 HD21 ASN 50 1HD2 ASN 50 0.795 -10.533 -1.245 391 HD22 ASN 50 2HD2 ASN 50 1.370 -12.082 -0.721 392 HA PRO 51 HA PRO 51 1.017 -6.157 -6.115 393 HB2 PRO 51 2HB PRO 51 3.830 -6.068 -6.891 394 HB3 PRO 51 1HB PRO 51 2.814 -4.780 -6.242 395 HG2 PRO 51 2HG PRO 51 4.844 -5.923 -4.838 396 HG3 PRO 51 1HG PRO 51 3.405 -5.217 -4.081 397 HD2 PRO 51 2HD PRO 51 4.070 -8.087 -4.590 398 HD3 PRO 51 1HD PRO 51 3.262 -7.345 -3.193 399 H LYS 52 H LYS 52 1.614 -9.221 -6.264 400 HA LYS 52 HA LYS 52 2.453 -9.511 -9.057 401 HB2 LYS 52 2HB LYS 52 1.960 -11.675 -7.012 402 HB3 LYS 52 1HB LYS 52 2.892 -11.797 -8.499 403 HG2 LYS 52 2HG LYS 52 4.645 -10.463 -7.605 404 HG3 LYS 52 1HG LYS 52 3.675 -10.038 -6.189 405 HD2 LYS 52 2HD LYS 52 3.616 -12.483 -5.617 406 HD3 LYS 52 1HD LYS 52 4.785 -12.746 -6.913 407 HE2 LYS 52 2HE LYS 52 6.351 -11.233 -5.802 408 HE3 LYS 52 1HE LYS 52 5.182 -10.971 -4.508 409 HZ1 LYS 52 3HZ LYS 52 5.306 -13.341 -3.986 410 HZ2 LYS 52 1HZ LYS 52 6.822 -12.592 -3.848 411 HZ3 LYS 52 2HZ LYS 52 6.471 -13.560 -5.199 412 H GLN 53 H GLN 53 -0.317 -9.560 -7.084 413 HA GLN 53 HA GLN 53 -1.725 -11.459 -8.831 414 HB2 GLN 53 2HB GLN 53 -3.260 -11.576 -6.709 415 HB3 GLN 53 1HB GLN 53 -1.735 -12.458 -6.750 416 HG2 GLN 53 2HG GLN 53 -0.692 -10.482 -5.622 417 HG3 GLN 53 1HG GLN 53 -2.312 -9.841 -5.402 418 HE21 GLN 53 1HE2 GLN 53 -2.102 -9.869 -3.182 419 HE22 GLN 53 2HE2 GLN 53 -2.159 -11.348 -2.274 420 H THR 54 H THR 54 -3.901 -11.071 -9.359 421 HA THR 54 HA THR 54 -4.217 -8.364 -10.175 422 HB THR 54 HB THR 54 -6.448 -9.399 -11.093 423 HG1 THR 54 1HG THR 54 -6.350 -11.615 -11.293 424 HG21 THR 54 3HG2 THR 54 -5.198 -10.198 -13.054 425 HG22 THR 54 1HG2 THR 54 -3.708 -10.132 -12.112 426 HG23 THR 54 2HG2 THR 54 -4.593 -8.648 -12.468 427 H TRP 55 H TRP 55 -5.851 -10.407 -7.770 428 HA TRP 55 HA TRP 55 -8.009 -8.674 -7.311 429 HB2 TRP 55 2HB TRP 55 -8.417 -9.801 -5.272 430 HB3 TRP 55 1HB TRP 55 -7.872 -11.001 -6.429 431 HD1 TRP 55 HD TRP 55 -5.521 -12.106 -5.934 432 HE1 TRP 55 1HE TRP 55 -4.090 -12.268 -3.868 433 HE3 TRP 55 3HE TRP 55 -7.735 -8.517 -3.332 434 HZ2 TRP 55 2HZ TRP 55 -3.923 -10.962 -1.340 435 HZ3 TRP 55 3HZ TRP 55 -6.935 -8.001 -1.173 436 HH2 TRP 55 HH TRP 55 -5.089 -9.163 -0.131 437 H VAL 56 H VAL 56 -4.742 -8.673 -6.194 438 HA VAL 56 HA VAL 56 -5.008 -6.492 -4.403 439 HB VAL 56 HB VAL 56 -2.683 -7.775 -5.806 440 HG11 VAL 56 1HG1 VAL 56 -2.566 -5.368 -4.002 441 HG12 VAL 56 2HG1 VAL 56 -2.186 -5.401 -5.724 442 HG13 VAL 56 3HG1 VAL 56 -1.182 -6.292 -4.581 443 HG21 VAL 56 3HG2 VAL 56 -3.498 -7.500 -2.922 444 HG22 VAL 56 1HG2 VAL 56 -2.030 -8.298 -3.491 445 HG23 VAL 56 2HG2 VAL 56 -3.614 -8.948 -3.920 446 H LYS 57 H LYS 57 -3.856 -6.772 -7.753 447 HA LYS 57 HA LYS 57 -3.327 -4.072 -8.179 448 HB2 LYS 57 2HB LYS 57 -4.228 -6.123 -10.203 449 HB3 LYS 57 1HB LYS 57 -3.446 -4.590 -10.572 450 HG2 LYS 57 2HG LYS 57 -1.474 -5.346 -9.274 451 HG3 LYS 57 1HG LYS 57 -2.266 -6.910 -9.073 452 HD2 LYS 57 2HD LYS 57 -2.268 -7.253 -11.464 453 HD3 LYS 57 1HD LYS 57 -1.563 -5.653 -11.718 454 HE2 LYS 57 2HE LYS 57 0.448 -6.330 -10.514 455 HE3 LYS 57 1HE LYS 57 -0.262 -7.913 -10.192 456 HZ1 LYS 57 3HZ LYS 57 0.325 -6.835 -12.896 457 HZ2 LYS 57 1HZ LYS 57 -0.268 -8.380 -12.535 458 HZ3 LYS 57 2HZ LYS 57 1.298 -7.946 -12.057 459 H TYR 58 H TYR 58 -6.338 -5.851 -8.363 460 HA TYR 58 HA TYR 58 -7.867 -3.776 -9.513 461 HB2 TYR 58 2HB TYR 58 -8.831 -5.922 -9.592 462 HB3 TYR 58 1HB TYR 58 -8.536 -6.211 -7.880 463 HD1 TYR 58 1HD TYR 58 -10.312 -3.611 -9.905 464 HD2 TYR 58 2HD TYR 58 -10.425 -6.287 -6.607 465 HE1 TYR 58 1HE TYR 58 -12.577 -2.836 -9.367 466 HE2 TYR 58 2HE TYR 58 -12.690 -5.531 -6.059 467 HH TYR 58 HH TYR 58 -14.105 -3.523 -6.427 468 H ILE 59 H ILE 59 -7.527 -4.855 -6.117 469 HA ILE 59 HA ILE 59 -9.140 -2.841 -5.035 470 HB ILE 59 HB ILE 59 -6.901 -4.324 -3.651 471 HG12 ILE 59 2HG1 ILE 59 -9.872 -4.898 -3.719 472 HG13 ILE 59 1HG1 ILE 59 -8.659 -5.771 -4.645 473 HG21 ILE 59 1HG2 ILE 59 -7.598 -2.302 -2.459 474 HG22 ILE 59 2HG2 ILE 59 -8.073 -3.761 -1.593 475 HG23 ILE 59 3HG2 ILE 59 -9.274 -2.849 -2.507 476 HD11 ILE 59 3HD1 ILE 59 -7.621 -6.542 -2.594 477 HD12 ILE 59 1HD1 ILE 59 -9.324 -6.991 -2.658 478 HD13 ILE 59 2HD1 ILE 59 -8.808 -5.640 -1.648 479 H VAL 60 H VAL 60 -5.627 -2.961 -5.551 480 HA VAL 60 HA VAL 60 -5.055 -0.581 -4.143 481 HB VAL 60 HB VAL 60 -3.327 -2.270 -4.652 482 HG11 VAL 60 1HG1 VAL 60 -2.256 -2.319 -6.845 483 HG12 VAL 60 2HG1 VAL 60 -3.479 -1.209 -7.469 484 HG13 VAL 60 3HG1 VAL 60 -3.942 -2.827 -6.936 485 HG21 VAL 60 3HG2 VAL 60 -1.520 -0.711 -5.196 486 HG22 VAL 60 1HG2 VAL 60 -2.637 -0.041 -4.009 487 HG23 VAL 60 2HG2 VAL 60 -2.713 0.492 -5.690 488 H ARG 61 H ARG 61 -5.940 -1.167 -7.520 489 HA ARG 61 HA ARG 61 -5.331 1.465 -8.399 490 HB2 ARG 61 2HB ARG 61 -7.060 -0.722 -9.512 491 HB3 ARG 61 1HB ARG 61 -7.012 0.866 -10.263 492 HG2 ARG 61 2HG ARG 61 -4.611 0.647 -10.610 493 HG3 ARG 61 1HG ARG 61 -4.637 -0.931 -9.822 494 HD2 ARG 61 2HD ARG 61 -6.132 -0.206 -12.338 495 HD3 ARG 61 1HD ARG 61 -4.624 -1.117 -12.273 496 HE ARG 61 HE ARG 61 -6.173 -2.614 -10.721 497 HH11 ARG 61 1HH1 ARG 61 -6.835 -1.130 -13.829 498 HH12 ARG 61 2HH1 ARG 61 -7.953 -2.365 -14.326 499 HH21 ARG 61 1HH2 ARG 61 -7.653 -4.255 -11.392 500 HH22 ARG 61 2HH2 ARG 61 -8.412 -4.140 -12.952 501 H LEU 62 H LEU 62 -8.173 0.004 -6.933 502 HA LEU 62 HA LEU 62 -9.803 2.338 -7.318 503 HB2 LEU 62 2HB LEU 62 -10.128 -0.122 -5.616 504 HB3 LEU 62 1HB LEU 62 -11.291 1.191 -5.603 505 HG LEU 62 HG LEU 62 -10.591 -0.614 -7.910 506 HD11 LEU 62 1HD1 LEU 62 -12.103 -1.574 -6.294 507 HD12 LEU 62 2HD1 LEU 62 -12.971 -1.182 -7.780 508 HD13 LEU 62 3HD1 LEU 62 -13.127 -0.140 -6.365 509 HD21 LEU 62 3HD2 LEU 62 -10.858 1.669 -8.740 510 HD22 LEU 62 1HD2 LEU 62 -12.404 1.800 -7.900 511 HD23 LEU 62 2HD2 LEU 62 -12.214 0.651 -9.226 512 H LEU 63 H LEU 63 -7.699 1.091 -4.820 513 HA LEU 63 HA LEU 63 -8.468 3.054 -2.880 514 HB2 LEU 63 2HB LEU 63 -6.232 1.070 -2.989 515 HB3 LEU 63 1HB LEU 63 -6.466 2.165 -1.636 516 HG LEU 63 HG LEU 63 -8.444 0.083 -2.591 517 HD11 LEU 63 1HD1 LEU 63 -7.978 -1.038 -0.491 518 HD12 LEU 63 2HD1 LEU 63 -6.764 0.179 -0.101 519 HD13 LEU 63 3HD1 LEU 63 -6.520 -0.899 -1.475 520 HD21 LEU 63 3HD2 LEU 63 -9.537 2.081 -1.683 521 HD22 LEU 63 1HD2 LEU 63 -8.582 1.931 -0.210 522 HD23 LEU 63 2HD2 LEU 63 -9.752 0.681 -0.633 523 H SER 64 H SER 64 -6.434 3.011 -5.562 524 HA SER 64 HA SER 64 -5.304 5.595 -4.719 525 HB2 SER 64 2HB SER 64 -4.108 3.658 -6.727 526 HB3 SER 64 1HB SER 64 -3.403 5.183 -6.197 527 HG SER 64 HG SER 64 -4.031 3.503 -4.133 528 H LYS 65 H LYS 65 -7.562 6.139 -5.492 529 HA LYS 65 HA LYS 65 -8.317 6.030 -8.182 530 HB2 LYS 65 2HB LYS 65 -9.033 8.137 -6.142 531 HB3 LYS 65 1HB LYS 65 -9.855 7.891 -7.673 532 HG2 LYS 65 2HG LYS 65 -10.560 5.671 -6.943 533 HG3 LYS 65 1HG LYS 65 -9.718 5.908 -5.411 534 HD2 LYS 65 2HD LYS 65 -11.996 6.388 -4.991 535 HD3 LYS 65 1HD LYS 65 -11.176 7.946 -5.067 536 HE2 LYS 65 2HE LYS 65 -11.940 8.211 -7.397 537 HE3 LYS 65 1HE LYS 65 -12.784 6.666 -7.281 538 HZ1 LYS 65 3HZ LYS 65 -13.435 9.231 -5.973 539 HZ2 LYS 65 1HZ LYS 65 -13.950 7.773 -5.279 540 HZ3 LYS 65 2HZ LYS 65 -14.443 8.188 -6.845 541 H LYS 66 H LYS 66 -6.425 6.514 -9.396 542 HA LYS 66 HA LYS 66 -5.704 9.348 -9.459 543 HB2 LYS 66 2HB LYS 66 -3.824 8.663 -10.902 544 HB3 LYS 66 1HB LYS 66 -3.807 7.847 -9.347 545 HG2 LYS 66 2HG LYS 66 -4.642 5.818 -10.348 546 HG3 LYS 66 1HG LYS 66 -4.835 6.628 -11.905 547 HD2 LYS 66 2HD LYS 66 -2.795 5.292 -11.886 548 HD3 LYS 66 1HD LYS 66 -2.403 7.009 -11.988 549 HE2 LYS 66 2HE LYS 66 -2.063 7.002 -9.517 550 HE3 LYS 66 1HE LYS 66 -2.273 5.253 -9.544 551 HZ1 LYS 66 3HZ LYS 66 0.060 5.872 -9.577 552 HZ2 LYS 66 1HZ LYS 66 -0.171 6.767 -11.001 553 HZ3 LYS 66 2HZ LYS 66 -0.368 5.082 -11.021 554 H VAL 67 H VAL 67 -8.116 7.778 -10.588 555 HA VAL 67 HA VAL 67 -8.014 8.522 -13.387 556 HB VAL 67 HB VAL 67 -10.365 7.751 -13.462 557 HG11 VAL 67 1HG1 VAL 67 -8.541 5.805 -12.054 558 HG12 VAL 67 2HG1 VAL 67 -8.520 6.155 -13.784 559 HG13 VAL 67 3HG1 VAL 67 -9.937 5.400 -13.053 560 HG21 VAL 67 3HG2 VAL 67 -9.988 7.190 -10.520 561 HG22 VAL 67 1HG2 VAL 67 -11.373 6.706 -11.492 562 HG23 VAL 67 2HG2 VAL 67 -11.050 8.416 -11.211 563 H LYS 68 H LYS 68 -7.927 10.382 -10.937 564 HA LYS 68 HA LYS 68 -10.190 12.137 -11.572 565 HB2 LYS 68 2HB LYS 68 -8.281 12.206 -9.223 566 HB3 LYS 68 1HB LYS 68 -9.688 13.239 -9.439 567 HG2 LYS 68 2HG LYS 68 -11.179 11.394 -9.208 568 HG3 LYS 68 1HG LYS 68 -9.840 10.243 -9.243 569 HD2 LYS 68 2HD LYS 68 -10.692 10.617 -6.965 570 HD3 LYS 68 1HD LYS 68 -9.008 11.111 -7.135 571 HE2 LYS 68 2HE LYS 68 -9.738 13.440 -7.405 572 HE3 LYS 68 1HE LYS 68 -11.412 12.930 -7.177 573 HZ1 LYS 68 3HZ LYS 68 -10.828 12.153 -4.957 574 HZ2 LYS 68 1HZ LYS 68 -10.470 13.802 -5.136 575 HZ3 LYS 68 2HZ LYS 68 -9.223 12.648 -5.182 576 H ASN 69 H ASN 69 -6.814 11.773 -11.945 577 HA ASN 69 HA ASN 69 -6.532 14.619 -12.616 578 HB2 ASN 69 2HB ASN 69 -4.086 14.307 -12.312 579 HB3 ASN 69 1HB ASN 69 -5.002 14.011 -10.846 580 HD21 ASN 69 1HD2 ASN 69 -4.653 11.708 -13.523 581 HD22 ASN 69 2HD2 ASN 69 -3.742 10.555 -12.616 582 H MET 70 H MET 70 -4.673 14.895 -14.312 583 HA MET 70 HA MET 70 -4.809 12.791 -16.332 584 HB2 MET 70 2HB MET 70 -6.455 14.534 -16.948 585 HB3 MET 70 1HB MET 70 -5.178 15.742 -16.910 586 HG2 MET 70 2HG MET 70 -5.713 15.019 -19.184 587 HG3 MET 70 1HG MET 70 -4.046 14.653 -18.744 588 HE1 MET 70 3HE MET 70 -7.398 11.476 -18.833 589 HE2 MET 70 1HE MET 70 -7.657 13.153 -19.322 590 HE3 MET 70 2HE MET 70 -7.303 12.769 -17.637 Start of MODEL 15 1 H1 ALA 1 1HT ALA 1 20.477 1.692 6.349 2 H2 ALA 1 2HT ALA 1 20.164 3.171 7.115 3 H3 ALA 1 3HT ALA 1 21.729 2.803 6.585 4 HA ALA 1 HA ALA 1 20.676 4.368 5.089 5 HB1 ALA 1 1HB ALA 1 21.041 3.160 3.010 6 HB2 ALA 1 2HB ALA 1 20.959 1.621 3.864 7 HB3 ALA 1 3HB ALA 1 22.285 2.740 4.184 8 H SER 2 H SER 2 19.045 1.200 4.772 9 HA SER 2 HA SER 2 16.587 2.529 3.979 10 HB2 SER 2 2HB SER 2 17.164 -0.412 4.441 11 HB3 SER 2 1HB SER 2 15.693 0.246 3.731 12 HG SER 2 HG SER 2 17.358 -0.546 2.223 13 H ASN 3 H ASN 3 14.961 2.977 5.314 14 HA ASN 3 HA ASN 3 15.180 2.898 8.091 15 HB2 ASN 3 2HB ASN 3 13.620 4.362 6.800 16 HB3 ASN 3 1HB ASN 3 12.612 2.952 6.487 17 HD21 ASN 3 1HD2 ASN 3 11.441 2.034 8.201 18 HD22 ASN 3 2HD2 ASN 3 11.146 2.899 9.678 19 H PHE 4 H PHE 4 13.142 0.885 6.007 20 HA PHE 4 HA PHE 4 13.479 -1.314 7.910 21 HB2 PHE 4 2HB PHE 4 11.076 -1.896 7.616 22 HB3 PHE 4 1HB PHE 4 11.318 -0.341 8.396 23 HD1 PHE 4 1HD PHE 4 10.917 1.761 7.144 24 HD2 PHE 4 2HD PHE 4 9.941 -2.055 5.524 25 HE1 PHE 4 1HE PHE 4 9.469 2.841 5.471 26 HE2 PHE 4 2HE PHE 4 8.501 -0.977 3.855 27 HZ PHE 4 HZ PHE 4 8.258 1.474 3.826 28 H ASP 5 H ASP 5 12.261 -3.311 6.713 29 HA ASP 5 HA ASP 5 12.341 -3.010 3.828 30 HB2 ASP 5 2HB ASP 5 14.463 -4.091 4.350 31 HB3 ASP 5 1HB ASP 5 13.630 -5.365 5.246 32 H CYS 6 H CYS 6 10.410 -3.371 3.167 33 HA CYS 6 HA CYS 6 8.354 -3.985 4.921 34 HB2 CYS 6 2HB CYS 6 6.906 -3.892 2.893 35 HB3 CYS 6 1HB CYS 6 7.943 -2.501 3.128 36 H CYS 7 H CYS 7 6.490 -5.487 4.053 37 HA CYS 7 HA CYS 7 6.934 -7.830 5.270 38 HB2 CYS 7 2HB CYS 7 5.014 -7.353 3.001 39 HB3 CYS 7 1HB CYS 7 4.944 -8.724 4.103 40 H LEU 8 H LEU 8 8.745 -8.959 4.812 41 HA LEU 8 HA LEU 8 9.515 -9.962 2.305 42 HB2 LEU 8 2HB LEU 8 9.925 -11.227 5.021 43 HB3 LEU 8 1HB LEU 8 10.847 -11.567 3.567 44 HG LEU 8 HG LEU 8 10.799 -8.887 4.956 45 HD11 LEU 8 1HD1 LEU 8 12.889 -11.059 5.040 46 HD12 LEU 8 2HD1 LEU 8 11.823 -10.597 6.368 47 HD13 LEU 8 3HD1 LEU 8 13.024 -9.455 5.764 48 HD21 LEU 8 3HD2 LEU 8 12.544 -9.992 2.757 49 HD22 LEU 8 1HD2 LEU 8 12.737 -8.420 3.534 50 HD23 LEU 8 2HD2 LEU 8 11.297 -8.757 2.574 51 H GLY 9 H GLY 9 7.321 -11.126 4.781 52 HA2 GLY 9 2HA GLY 9 6.550 -13.357 3.025 53 HA3 GLY 9 1HA GLY 9 6.292 -13.304 4.760 54 H TYR 10 H TYR 10 5.270 -12.021 1.685 55 HA TYR 10 HA TYR 10 2.906 -10.804 2.833 56 HB2 TYR 10 2HB TYR 10 2.416 -10.234 0.389 57 HB3 TYR 10 1HB TYR 10 3.784 -9.452 1.161 58 HD1 TYR 10 1HD TYR 10 4.556 -12.821 0.406 59 HD2 TYR 10 2HD TYR 10 4.209 -8.977 -1.341 60 HE1 TYR 10 1HE TYR 10 6.022 -13.543 -1.451 61 HE2 TYR 10 2HE TYR 10 5.675 -9.663 -3.195 62 HH TYR 10 HH TYR 10 7.529 -11.437 -3.495 63 H THR 11 H THR 11 0.730 -11.287 1.942 64 HA THR 11 HA THR 11 0.441 -14.147 2.354 65 HB THR 11 HB THR 11 -0.715 -12.570 3.837 66 HG1 THR 11 1HG THR 11 -1.599 -14.711 3.365 67 HG21 THR 11 3HG2 THR 11 -1.223 -10.786 2.303 68 HG22 THR 11 1HG2 THR 11 -2.724 -11.385 3.008 69 HG23 THR 11 2HG2 THR 11 -2.275 -11.844 1.364 70 H ASP 12 H ASP 12 -0.708 -15.531 1.130 71 HA ASP 12 HA ASP 12 -1.396 -14.656 -1.582 72 HB2 ASP 12 2HB ASP 12 0.345 -16.417 -1.454 73 HB3 ASP 12 1HB ASP 12 -0.762 -17.445 -0.554 74 H ARG 13 H ARG 13 -3.331 -13.812 -0.590 75 HA ARG 13 HA ARG 13 -5.401 -15.887 -0.218 76 HB2 ARG 13 2HB ARG 13 -5.209 -13.147 1.051 77 HB3 ARG 13 1HB ARG 13 -6.624 -14.184 1.151 78 HG2 ARG 13 2HG ARG 13 -5.297 -15.886 2.313 79 HG3 ARG 13 1HG ARG 13 -3.887 -14.826 2.231 80 HD2 ARG 13 2HD ARG 13 -5.063 -13.144 3.545 81 HD3 ARG 13 1HD ARG 13 -6.494 -14.174 3.608 82 HE ARG 13 HE ARG 13 -4.468 -15.714 4.637 83 HH11 ARG 13 1HH1 ARG 13 -5.925 -12.632 5.428 84 HH12 ARG 13 2HH1 ARG 13 -5.548 -12.731 7.121 85 HH21 ARG 13 1HH2 ARG 13 -3.960 -15.861 6.853 86 HH22 ARG 13 2HH2 ARG 13 -4.402 -14.575 7.933 87 H ILE 14 H ILE 14 -7.649 -14.646 -0.422 88 HA ILE 14 HA ILE 14 -7.515 -12.599 -2.529 89 HB ILE 14 HB ILE 14 -9.564 -14.790 -2.207 90 HG12 ILE 14 2HG1 ILE 14 -7.406 -15.107 -3.579 91 HG13 ILE 14 1HG1 ILE 14 -8.933 -15.523 -4.349 92 HG21 ILE 14 1HG2 ILE 14 -9.752 -12.358 -3.976 93 HG22 ILE 14 2HG2 ILE 14 -10.740 -12.677 -2.551 94 HG23 ILE 14 3HG2 ILE 14 -10.879 -13.717 -3.969 95 HD11 ILE 14 3HD1 ILE 14 -8.940 -13.339 -5.463 96 HD12 ILE 14 1HD1 ILE 14 -7.538 -14.324 -5.892 97 HD13 ILE 14 2HD1 ILE 14 -7.364 -12.992 -4.747 98 H LEU 15 H LEU 15 -7.529 -10.909 -1.029 99 HA LEU 15 HA LEU 15 -9.854 -10.728 0.751 100 HB2 LEU 15 2HB LEU 15 -7.310 -9.104 0.587 101 HB3 LEU 15 1HB LEU 15 -8.678 -8.624 1.580 102 HG LEU 15 HG LEU 15 -7.354 -9.654 3.134 103 HD11 LEU 15 1HD1 LEU 15 -8.931 -11.967 2.022 104 HD12 LEU 15 2HD1 LEU 15 -9.497 -10.772 3.191 105 HD13 LEU 15 3HD1 LEU 15 -8.208 -11.893 3.630 106 HD21 LEU 15 3HD2 LEU 15 -5.930 -11.584 2.734 107 HD22 LEU 15 1HD2 LEU 15 -5.587 -10.284 1.592 108 HD23 LEU 15 2HD2 LEU 15 -6.523 -11.688 1.074 109 H HIS 16 H HIS 16 -10.970 -8.553 0.791 110 HA HIS 16 HA HIS 16 -10.971 -7.328 -1.896 111 HB2 HIS 16 2HB HIS 16 -13.450 -7.980 -0.301 112 HB3 HIS 16 1HB HIS 16 -13.390 -7.231 -1.885 113 HD1 HIS 16 1HD HIS 16 -15.043 -9.644 -1.503 114 HD2 HIS 16 2HD HIS 16 -11.056 -9.832 -2.660 115 HE1 HIS 16 1HE HIS 16 -14.784 -11.846 -2.575 116 HE2 HIS 16 2HE HIS 16 -12.477 -11.811 -3.600 117 HA PRO 17 HA PRO 17 -11.699 -3.380 0.238 118 HB2 PRO 17 2HB PRO 17 -14.059 -2.540 -0.937 119 HB3 PRO 17 1HB PRO 17 -12.454 -2.270 -1.622 120 HG2 PRO 17 2HG PRO 17 -14.470 -4.372 -2.285 121 HG3 PRO 17 1HG PRO 17 -13.401 -3.462 -3.370 122 HD2 PRO 17 2HD PRO 17 -12.874 -6.012 -2.664 123 HD3 PRO 17 1HD PRO 17 -11.573 -4.816 -2.900 124 H LYS 18 H LYS 18 -13.965 -5.914 -0.077 125 HA LYS 18 HA LYS 18 -16.013 -5.505 1.654 126 HB2 LYS 18 2HB LYS 18 -14.282 -7.937 1.204 127 HB3 LYS 18 1HB LYS 18 -15.706 -8.003 2.218 128 HG2 LYS 18 2HG LYS 18 -16.466 -6.813 -0.228 129 HG3 LYS 18 1HG LYS 18 -15.515 -8.254 -0.593 130 HD2 LYS 18 2HD LYS 18 -17.841 -8.177 1.308 131 HD3 LYS 18 1HD LYS 18 -17.951 -8.705 -0.366 132 HE2 LYS 18 2HE LYS 18 -16.376 -10.501 0.120 133 HE3 LYS 18 1HE LYS 18 -16.251 -9.944 1.789 134 HZ1 LYS 18 3HZ LYS 18 -18.749 -10.288 1.876 135 HZ2 LYS 18 1HZ LYS 18 -17.787 -11.683 1.836 136 HZ3 LYS 18 2HZ LYS 18 -18.582 -11.160 0.437 137 H PHE 19 H PHE 19 -12.632 -6.047 2.494 138 HA PHE 19 HA PHE 19 -13.350 -5.740 5.334 139 HB2 PHE 19 2HB PHE 19 -11.008 -7.411 4.468 140 HB3 PHE 19 1HB PHE 19 -11.881 -7.442 5.994 141 HD1 PHE 19 2HD PHE 19 -14.486 -8.069 5.691 142 HD2 PHE 19 1HD PHE 19 -11.335 -9.157 3.044 143 HE1 PHE 19 2HE PHE 19 -15.846 -9.936 4.850 144 HE2 PHE 19 1HE PHE 19 -12.690 -11.028 2.198 145 HZ PHE 19 HZ PHE 19 -14.947 -11.420 3.106 146 H ILE 20 H ILE 20 -11.920 -4.240 2.858 147 HA ILE 20 HA ILE 20 -9.475 -3.418 4.231 148 HB ILE 20 HB ILE 20 -10.437 -3.286 1.414 149 HG12 ILE 20 2HG1 ILE 20 -8.240 -4.029 0.868 150 HG13 ILE 20 1HG1 ILE 20 -7.597 -3.543 2.426 151 HG21 ILE 20 1HG2 ILE 20 -8.512 -1.248 2.530 152 HG22 ILE 20 2HG2 ILE 20 -10.103 -0.932 1.838 153 HG23 ILE 20 3HG2 ILE 20 -8.803 -1.539 0.814 154 HD11 ILE 20 3HD1 ILE 20 -8.812 -5.341 3.506 155 HD12 ILE 20 1HD1 ILE 20 -7.795 -5.966 2.209 156 HD13 ILE 20 2HD1 ILE 20 -9.535 -5.799 1.964 157 H VAL 21 H VAL 21 -9.429 -1.637 5.449 158 HA VAL 21 HA VAL 21 -11.351 0.509 4.820 159 HB VAL 21 HB VAL 21 -11.276 1.171 7.211 160 HG11 VAL 21 1HG1 VAL 21 -12.700 -0.637 8.051 161 HG12 VAL 21 2HG1 VAL 21 -12.192 -1.653 6.702 162 HG13 VAL 21 3HG1 VAL 21 -13.117 -0.182 6.398 163 HG21 VAL 21 3HG2 VAL 21 -9.127 0.172 7.819 164 HG22 VAL 21 1HG2 VAL 21 -9.809 -1.440 7.608 165 HG23 VAL 21 2HG2 VAL 21 -10.414 -0.388 8.886 166 H GLY 22 H GLY 22 -8.214 -0.365 4.656 167 HA2 GLY 22 2HA GLY 22 -7.335 2.356 4.291 168 HA3 GLY 22 1HA GLY 22 -6.575 1.542 5.654 169 H PHE 23 H PHE 23 -5.201 2.489 3.353 170 HA PHE 23 HA PHE 23 -3.945 0.008 2.440 171 HB2 PHE 23 2HB PHE 23 -5.400 0.118 0.698 172 HB3 PHE 23 1HB PHE 23 -5.573 1.864 0.788 173 HD1 PHE 23 2HD PHE 23 -3.473 -0.887 -0.391 174 HD2 PHE 23 1HD PHE 23 -4.166 3.295 -0.371 175 HE1 PHE 23 2HE PHE 23 -1.879 -0.627 -2.238 176 HE2 PHE 23 1HE PHE 23 -2.569 3.571 -2.230 177 HZ PHE 23 HZ PHE 23 -1.428 1.583 -3.133 178 H THR 24 H THR 24 -1.865 0.221 2.268 179 HA THR 24 HA THR 24 -0.628 2.809 1.726 180 HB THR 24 HB THR 24 0.215 1.095 4.072 181 HG1 THR 24 1HG THR 24 -1.226 3.560 3.969 182 HG21 THR 24 3HG2 THR 24 1.185 3.798 3.119 183 HG22 THR 24 1HG2 THR 24 2.086 2.283 3.068 184 HG23 THR 24 2HG2 THR 24 1.683 3.016 4.620 185 H ARG 25 H ARG 25 0.317 2.126 -0.212 186 HA ARG 25 HA ARG 25 1.471 -0.489 -0.403 187 HB2 ARG 25 2HB ARG 25 2.289 0.220 -2.616 188 HB3 ARG 25 1HB ARG 25 0.566 0.495 -2.408 189 HG2 ARG 25 2HG ARG 25 0.816 2.801 -2.318 190 HG3 ARG 25 1HG ARG 25 2.536 2.699 -1.934 191 HD2 ARG 25 2HD ARG 25 2.167 3.424 -4.246 192 HD3 ARG 25 1HD ARG 25 3.009 1.878 -4.174 193 HE ARG 25 HE ARG 25 0.115 1.803 -4.530 194 HH11 ARG 25 1HH1 ARG 25 3.293 1.574 -5.971 195 HH12 ARG 25 2HH1 ARG 25 2.729 0.797 -7.413 196 HH21 ARG 25 1HH2 ARG 25 -0.645 0.816 -6.482 197 HH22 ARG 25 2HH2 ARG 25 0.497 0.381 -7.712 198 H GLN 26 H GLN 26 3.423 -1.115 0.119 199 HA GLN 26 HA GLN 26 5.310 0.891 1.109 200 HB2 GLN 26 2HB GLN 26 4.328 -1.345 2.274 201 HB3 GLN 26 1HB GLN 26 5.771 -2.000 1.521 202 HG2 GLN 26 2HG GLN 26 7.118 -1.048 3.004 203 HG3 GLN 26 1HG GLN 26 6.239 0.480 2.959 204 HE21 GLN 26 1HE2 GLN 26 6.348 -2.709 4.384 205 HE22 GLN 26 2HE2 GLN 26 5.339 -2.361 5.743 206 H LEU 27 H LEU 27 7.225 1.226 0.060 207 HA LEU 27 HA LEU 27 7.798 -0.580 -2.197 208 HB2 LEU 27 2HB LEU 27 7.960 2.432 -2.228 209 HB3 LEU 27 1HB LEU 27 8.501 1.385 -3.521 210 HG LEU 27 HG LEU 27 5.984 0.564 -3.462 211 HD11 LEU 27 1HD1 LEU 27 4.466 2.422 -2.983 212 HD12 LEU 27 2HD1 LEU 27 5.821 3.372 -2.376 213 HD13 LEU 27 3HD1 LEU 27 5.330 1.899 -1.538 214 HD21 LEU 27 3HD2 LEU 27 6.892 3.162 -4.698 215 HD22 LEU 27 1HD2 LEU 27 5.480 2.226 -5.189 216 HD23 LEU 27 2HD2 LEU 27 7.098 1.551 -5.386 217 H ALA 28 H ALA 28 9.924 -0.765 -2.854 218 HA ALA 28 HA ALA 28 11.957 -0.567 -0.922 219 HB1 ALA 28 1HB ALA 28 12.213 -0.801 -3.919 220 HB2 ALA 28 2HB ALA 28 12.001 -2.149 -2.801 221 HB3 ALA 28 3HB ALA 28 13.467 -1.167 -2.737 222 H ASN 29 H ASN 29 10.639 1.638 -3.131 223 HA ASN 29 HA ASN 29 12.849 3.339 -3.592 224 HB2 ASN 29 2HB ASN 29 9.880 3.660 -3.915 225 HB3 ASN 29 1HB ASN 29 10.973 5.004 -4.212 226 HD21 ASN 29 1HD2 ASN 29 11.796 1.664 -4.909 227 HD22 ASN 29 2HD2 ASN 29 11.795 1.837 -6.627 228 H GLU 30 H GLU 30 10.636 3.089 -0.929 229 HA GLU 30 HA GLU 30 11.418 5.760 -0.010 230 HB2 GLU 30 2HB GLU 30 9.554 5.537 1.598 231 HB3 GLU 30 1HB GLU 30 9.046 5.450 -0.081 232 HG2 GLU 30 2HG GLU 30 8.904 3.006 0.100 233 HG3 GLU 30 1HG GLU 30 9.386 3.116 1.791 234 H GLY 31 H GLY 31 11.642 2.362 0.836 235 HA2 GLY 31 2HA GLY 31 13.800 2.514 2.484 236 HA3 GLY 31 1HA GLY 31 12.456 2.899 3.547 237 H CYS 32 H CYS 32 12.490 0.668 0.863 238 HA CYS 32 HA CYS 32 12.516 -1.633 2.652 239 HB2 CYS 32 2HB CYS 32 10.146 -1.223 1.984 240 HB3 CYS 32 1HB CYS 32 10.625 -1.244 0.292 241 H ASP 33 H ASP 33 12.939 -3.650 1.030 242 HA ASP 33 HA ASP 33 14.578 -2.620 -1.198 243 HB2 ASP 33 2HB ASP 33 16.003 -3.805 0.377 244 HB3 ASP 33 1HB ASP 33 14.917 -5.193 0.369 245 H ILE 34 H ILE 34 12.219 -4.991 -0.154 246 HA ILE 34 HA ILE 34 11.591 -5.612 -2.946 247 HB ILE 34 HB ILE 34 9.901 -7.161 -2.007 248 HG12 ILE 34 2HG1 ILE 34 11.038 -6.327 0.674 249 HG13 ILE 34 1HG1 ILE 34 9.418 -5.964 0.081 250 HG21 ILE 34 1HG2 ILE 34 11.502 -8.785 -1.059 251 HG22 ILE 34 2HG2 ILE 34 12.694 -7.491 -0.931 252 HG23 ILE 34 3HG2 ILE 34 12.106 -7.993 -2.515 253 HD11 ILE 34 3HD1 ILE 34 9.369 -7.806 1.645 254 HD12 ILE 34 1HD1 ILE 34 10.524 -8.700 0.658 255 HD13 ILE 34 2HD1 ILE 34 8.912 -8.354 0.032 256 H ASN 35 H ASN 35 8.741 -5.897 -2.496 257 HA ASN 35 HA ASN 35 7.820 -3.352 -1.482 258 HB2 ASN 35 2HB ASN 35 6.494 -2.874 -3.583 259 HB3 ASN 35 1HB ASN 35 8.224 -2.599 -3.704 260 HD21 ASN 35 1HD2 ASN 35 9.453 -3.887 -5.047 261 HD22 ASN 35 2HD2 ASN 35 8.752 -4.978 -6.187 262 H ALA 36 H ALA 36 5.810 -3.422 -0.711 263 HA ALA 36 HA ALA 36 4.146 -5.759 -1.284 264 HB1 ALA 36 1HB ALA 36 4.968 -4.966 1.508 265 HB2 ALA 36 2HB ALA 36 5.518 -6.397 0.636 266 HB3 ALA 36 3HB ALA 36 3.821 -6.237 1.086 267 H ILE 37 H ILE 37 1.957 -5.432 -0.968 268 HA ILE 37 HA ILE 37 1.160 -2.631 -0.690 269 HB ILE 37 HB ILE 37 -0.495 -5.026 -1.500 270 HG12 ILE 37 2HG1 ILE 37 1.300 -4.615 -3.117 271 HG13 ILE 37 1HG1 ILE 37 -0.256 -4.159 -3.803 272 HG21 ILE 37 1HG2 ILE 37 -1.039 -2.067 -1.591 273 HG22 ILE 37 2HG2 ILE 37 -1.888 -3.279 -0.633 274 HG23 ILE 37 3HG2 ILE 37 -2.035 -3.282 -2.391 275 HD11 ILE 37 3HD1 ILE 37 0.233 -1.811 -3.351 276 HD12 ILE 37 1HD1 ILE 37 1.473 -2.546 -4.369 277 HD13 ILE 37 2HD1 ILE 37 1.788 -2.266 -2.656 278 H ILE 38 H ILE 38 0.796 -2.022 1.384 279 HA ILE 38 HA ILE 38 -0.086 -3.989 3.321 280 HB ILE 38 HB ILE 38 0.382 -1.038 3.768 281 HG12 ILE 38 2HG1 ILE 38 2.418 -2.108 2.891 282 HG13 ILE 38 1HG1 ILE 38 2.611 -1.642 4.575 283 HG21 ILE 38 1HG2 ILE 38 -0.942 -2.091 5.502 284 HG22 ILE 38 2HG2 ILE 38 0.663 -1.697 6.116 285 HG23 ILE 38 3HG2 ILE 38 0.266 -3.362 5.687 286 HD11 ILE 38 3HD1 ILE 38 2.247 -3.953 5.259 287 HD12 ILE 38 1HD1 ILE 38 3.599 -3.809 4.133 288 HD13 ILE 38 2HD1 ILE 38 2.042 -4.418 3.569 289 H PHE 39 H PHE 39 -2.224 -4.494 2.925 290 HA PHE 39 HA PHE 39 -4.168 -2.318 2.790 291 HB2 PHE 39 2HB PHE 39 -4.480 -5.319 2.623 292 HB3 PHE 39 1HB PHE 39 -5.853 -4.224 2.711 293 HD1 PHE 39 2HD PHE 39 -4.994 -2.041 0.884 294 HD2 PHE 39 1HD PHE 39 -4.593 -6.268 0.570 295 HE1 PHE 39 2HE PHE 39 -4.962 -1.857 -1.584 296 HE2 PHE 39 1HE PHE 39 -4.553 -6.092 -1.871 297 HZ PHE 39 HZ PHE 39 -4.735 -3.908 -2.944 298 H HIS 40 H HIS 40 -5.120 -1.537 4.540 299 HA HIS 40 HA HIS 40 -4.665 -2.922 7.084 300 HB2 HIS 40 2HB HIS 40 -5.873 -0.173 6.691 301 HB3 HIS 40 1HB HIS 40 -5.195 -0.845 8.169 302 HD1 HIS 40 1HD HIS 40 -2.842 -0.118 8.657 303 HD2 HIS 40 2HD HIS 40 -3.769 0.127 4.614 304 HE1 HIS 40 1HE HIS 40 -0.870 1.000 7.554 305 HE2 HIS 40 2HE HIS 40 -1.600 1.408 5.198 306 H THR 41 H THR 41 -6.199 -4.356 7.571 307 HA THR 41 HA THR 41 -8.790 -4.182 6.345 308 HB THR 41 HB THR 41 -9.251 -6.302 7.580 309 HG1 THR 41 1HG THR 41 -6.497 -6.297 8.262 310 HG21 THR 41 3HG2 THR 41 -7.645 -7.660 6.295 311 HG22 THR 41 1HG2 THR 41 -6.717 -6.203 5.943 312 HG23 THR 41 2HG2 THR 41 -8.359 -6.376 5.320 313 H LYS 42 H LYS 42 -10.788 -4.434 7.551 314 HA LYS 42 HA LYS 42 -11.019 -2.668 9.793 315 HB2 LYS 42 2HB LYS 42 -12.806 -3.165 8.029 316 HB3 LYS 42 1HB LYS 42 -13.058 -4.697 8.856 317 HG2 LYS 42 2HG LYS 42 -13.842 -3.627 10.814 318 HG3 LYS 42 1HG LYS 42 -13.285 -2.048 10.257 319 HD2 LYS 42 2HD LYS 42 -15.679 -2.184 9.995 320 HD3 LYS 42 1HD LYS 42 -14.920 -2.167 8.401 321 HE2 LYS 42 2HE LYS 42 -15.125 -4.630 8.324 322 HE3 LYS 42 1HE LYS 42 -15.968 -4.585 9.871 323 HZ1 LYS 42 3HZ LYS 42 -17.617 -3.073 8.746 324 HZ2 LYS 42 1HZ LYS 42 -17.613 -4.681 8.197 325 HZ3 LYS 42 2HZ LYS 42 -16.868 -3.468 7.276 326 H LYS 43 H LYS 43 -9.815 -5.675 9.449 327 HA LYS 43 HA LYS 43 -10.567 -6.745 12.015 328 HB2 LYS 43 2HB LYS 43 -9.475 -7.785 9.631 329 HB3 LYS 43 1HB LYS 43 -8.227 -7.973 10.854 330 HG2 LYS 43 2HG LYS 43 -9.429 -9.970 10.894 331 HG3 LYS 43 1HG LYS 43 -10.024 -9.066 12.286 332 HD2 LYS 43 2HD LYS 43 -11.977 -8.358 10.995 333 HD3 LYS 43 1HD LYS 43 -11.367 -9.238 9.592 334 HE2 LYS 43 2HE LYS 43 -11.499 -11.332 10.869 335 HE3 LYS 43 1HE LYS 43 -12.144 -10.440 12.247 336 HZ1 LYS 43 3HZ LYS 43 -13.936 -11.454 11.049 337 HZ2 LYS 43 1HZ LYS 43 -13.433 -10.760 9.584 338 HZ3 LYS 43 2HZ LYS 43 -14.028 -9.779 10.830 339 H LYS 44 H LYS 44 -8.950 -4.178 11.305 340 HA LYS 44 HA LYS 44 -7.092 -3.027 11.815 341 HB2 LYS 44 2HB LYS 44 -6.484 -2.970 14.219 342 HB3 LYS 44 1HB LYS 44 -8.190 -2.734 13.905 343 HG2 LYS 44 2HG LYS 44 -8.698 -4.943 14.679 344 HG3 LYS 44 1HG LYS 44 -6.982 -5.332 14.819 345 HD2 LYS 44 2HD LYS 44 -6.690 -3.772 16.594 346 HD3 LYS 44 1HD LYS 44 -8.297 -3.090 16.341 347 HE2 LYS 44 2HE LYS 44 -7.790 -5.940 17.182 348 HE3 LYS 44 1HE LYS 44 -8.096 -4.619 18.312 349 HZ1 LYS 44 3HZ LYS 44 -10.220 -4.243 17.104 350 HZ2 LYS 44 1HZ LYS 44 -10.135 -5.730 17.917 351 HZ3 LYS 44 2HZ LYS 44 -9.937 -5.672 16.231 352 H LEU 45 H LEU 45 -6.574 -5.513 10.578 353 HA LEU 45 HA LEU 45 -3.840 -5.963 11.572 354 HB2 LEU 45 2HB LEU 45 -5.616 -7.840 9.999 355 HB3 LEU 45 1HB LEU 45 -3.947 -8.156 10.427 356 HG LEU 45 HG LEU 45 -6.199 -7.816 12.410 357 HD11 LEU 45 1HD1 LEU 45 -6.465 -9.851 11.102 358 HD12 LEU 45 2HD1 LEU 45 -5.982 -10.224 12.757 359 HD13 LEU 45 3HD1 LEU 45 -4.797 -10.305 11.453 360 HD21 LEU 45 3HD2 LEU 45 -4.557 -8.691 14.018 361 HD22 LEU 45 1HD2 LEU 45 -4.050 -7.151 13.322 362 HD23 LEU 45 2HD2 LEU 45 -3.323 -8.655 12.758 363 H SER 46 H SER 46 -2.244 -5.427 10.181 364 HA SER 46 HA SER 46 -2.991 -4.337 7.610 365 HB2 SER 46 2HB SER 46 -0.407 -3.922 7.548 366 HB3 SER 46 1HB SER 46 -1.419 -2.969 8.633 367 HG SER 46 HG SER 46 0.228 -5.193 9.269 368 H VAL 47 H VAL 47 -3.340 -5.705 6.048 369 HA VAL 47 HA VAL 47 -2.086 -8.290 5.932 370 HB VAL 47 HB VAL 47 -4.073 -6.877 4.148 371 HG11 VAL 47 1HG1 VAL 47 -2.709 -8.380 2.778 372 HG12 VAL 47 2HG1 VAL 47 -4.361 -8.977 2.948 373 HG13 VAL 47 3HG1 VAL 47 -3.056 -9.705 3.889 374 HG21 VAL 47 3HG2 VAL 47 -4.922 -7.585 6.319 375 HG22 VAL 47 1HG2 VAL 47 -4.349 -9.225 6.016 376 HG23 VAL 47 2HG2 VAL 47 -5.631 -8.541 5.019 377 H CYS 48 H CYS 48 -0.272 -8.773 4.842 378 HA CYS 48 HA CYS 48 0.971 -6.735 3.217 379 HB2 CYS 48 2HB CYS 48 1.944 -9.523 3.869 380 HB3 CYS 48 1HB CYS 48 2.893 -8.229 3.139 381 H ALA 49 H ALA 49 -0.341 -6.594 1.484 382 HA ALA 49 HA ALA 49 -1.231 -8.893 0.023 383 HB1 ALA 49 1HB ALA 49 -1.351 -5.941 -0.588 384 HB2 ALA 49 2HB ALA 49 -2.610 -6.913 0.170 385 HB3 ALA 49 3HB ALA 49 -2.169 -7.204 -1.511 386 H ASN 50 H ASN 50 -0.383 -9.777 -1.783 387 HA ASN 50 HA ASN 50 2.337 -9.115 -2.457 388 HB2 ASN 50 2HB ASN 50 0.419 -11.065 -3.760 389 HB3 ASN 50 1HB ASN 50 2.127 -10.929 -4.136 390 HD21 ASN 50 1HD2 ASN 50 0.953 -10.688 -0.852 391 HD22 ASN 50 2HD2 ASN 50 1.559 -12.228 -0.344 392 HA PRO 51 HA PRO 51 1.203 -6.600 -6.043 393 HB2 PRO 51 2HB PRO 51 4.044 -6.732 -6.707 394 HB3 PRO 51 1HB PRO 51 3.074 -5.323 -6.276 395 HG2 PRO 51 2HG PRO 51 4.986 -6.320 -4.645 396 HG3 PRO 51 1HG PRO 51 3.523 -5.531 -4.030 397 HD2 PRO 51 2HD PRO 51 4.147 -8.457 -4.250 398 HD3 PRO 51 1HD PRO 51 3.360 -7.563 -2.923 399 H LYS 52 H LYS 52 1.944 -9.654 -5.690 400 HA LYS 52 HA LYS 52 2.696 -10.407 -8.384 401 HB2 LYS 52 2HB LYS 52 3.622 -12.125 -7.292 402 HB3 LYS 52 1HB LYS 52 3.043 -11.424 -5.785 403 HG2 LYS 52 2HG LYS 52 1.056 -12.699 -5.854 404 HG3 LYS 52 1HG LYS 52 1.417 -13.271 -7.485 405 HD2 LYS 52 2HD LYS 52 3.282 -14.550 -6.705 406 HD3 LYS 52 1HD LYS 52 3.177 -13.823 -5.099 407 HE2 LYS 52 2HE LYS 52 1.016 -15.527 -6.329 408 HE3 LYS 52 1HE LYS 52 2.269 -16.146 -5.252 409 HZ1 LYS 52 3HZ LYS 52 0.277 -14.051 -4.563 410 HZ2 LYS 52 1HZ LYS 52 1.485 -14.640 -3.532 411 HZ3 LYS 52 2HZ LYS 52 0.233 -15.664 -4.045 412 H GLN 53 H GLN 53 -0.152 -9.853 -6.659 413 HA GLN 53 HA GLN 53 -1.670 -11.823 -8.231 414 HB2 GLN 53 2HB GLN 53 -3.220 -11.702 -6.143 415 HB3 GLN 53 1HB GLN 53 -1.737 -12.649 -6.056 416 HG2 GLN 53 2HG GLN 53 -0.642 -10.552 -5.137 417 HG3 GLN 53 1HG GLN 53 -2.272 -9.938 -4.929 418 HE21 GLN 53 1HE2 GLN 53 -2.106 -9.830 -2.737 419 HE22 GLN 53 2HE2 GLN 53 -2.039 -11.242 -1.729 420 H THR 54 H THR 54 -3.839 -11.231 -8.795 421 HA THR 54 HA THR 54 -3.835 -8.423 -9.523 422 HB THR 54 HB THR 54 -5.871 -9.235 -10.908 423 HG1 THR 54 1HG THR 54 -4.465 -11.696 -10.694 424 HG21 THR 54 3HG2 THR 54 -4.305 -9.957 -12.700 425 HG22 THR 54 1HG2 THR 54 -3.013 -9.974 -11.502 426 HG23 THR 54 2HG2 THR 54 -3.828 -8.458 -11.900 427 H TRP 55 H TRP 55 -5.653 -10.471 -7.355 428 HA TRP 55 HA TRP 55 -7.911 -8.806 -7.147 429 HB2 TRP 55 2HB TRP 55 -8.365 -9.804 -5.033 430 HB3 TRP 55 1HB TRP 55 -7.785 -11.053 -6.117 431 HD1 TRP 55 HD TRP 55 -5.438 -12.080 -5.558 432 HE1 TRP 55 1HE TRP 55 -4.033 -12.140 -3.453 433 HE3 TRP 55 3HE TRP 55 -7.732 -8.424 -3.167 434 HZ2 TRP 55 2HZ TRP 55 -3.939 -10.713 -0.963 435 HZ3 TRP 55 3HZ TRP 55 -7.001 -7.787 -1.020 436 HH2 TRP 55 HH TRP 55 -5.171 -8.873 0.128 437 H VAL 56 H VAL 56 -4.740 -8.699 -5.832 438 HA VAL 56 HA VAL 56 -5.013 -6.376 -4.274 439 HB VAL 56 HB VAL 56 -2.674 -7.668 -5.664 440 HG11 VAL 56 1HG1 VAL 56 -2.616 -5.279 -3.842 441 HG12 VAL 56 2HG1 VAL 56 -2.249 -5.285 -5.567 442 HG13 VAL 56 3HG1 VAL 56 -1.210 -6.159 -4.441 443 HG21 VAL 56 3HG2 VAL 56 -3.383 -7.395 -2.749 444 HG22 VAL 56 1HG2 VAL 56 -2.005 -8.269 -3.417 445 HG23 VAL 56 2HG2 VAL 56 -3.646 -8.832 -3.737 446 H LYS 57 H LYS 57 -4.011 -6.935 -7.638 447 HA LYS 57 HA LYS 57 -3.475 -4.329 -8.400 448 HB2 LYS 57 2HB LYS 57 -4.671 -6.528 -10.072 449 HB3 LYS 57 1HB LYS 57 -4.028 -5.025 -10.711 450 HG2 LYS 57 2HG LYS 57 -2.625 -7.404 -9.682 451 HG3 LYS 57 1HG LYS 57 -2.216 -6.309 -10.996 452 HD2 LYS 57 2HD LYS 57 -1.624 -4.596 -9.263 453 HD3 LYS 57 1HD LYS 57 -1.823 -5.879 -8.066 454 HE2 LYS 57 2HE LYS 57 0.511 -5.624 -8.653 455 HE3 LYS 57 1HE LYS 57 -0.097 -7.189 -9.189 456 HZ1 LYS 57 3HZ LYS 57 1.325 -6.031 -10.839 457 HZ2 LYS 57 1HZ LYS 57 0.143 -4.815 -10.965 458 HZ3 LYS 57 2HZ LYS 57 -0.216 -6.406 -11.420 459 H TYR 58 H TYR 58 -6.566 -6.013 -8.262 460 HA TYR 58 HA TYR 58 -8.082 -3.950 -9.430 461 HB2 TYR 58 2HB TYR 58 -9.185 -5.983 -9.436 462 HB3 TYR 58 1HB TYR 58 -8.706 -6.369 -7.787 463 HD1 TYR 58 1HD TYR 58 -10.660 -3.654 -9.477 464 HD2 TYR 58 2HD TYR 58 -10.441 -6.466 -6.291 465 HE1 TYR 58 1HE TYR 58 -12.837 -2.879 -8.648 466 HE2 TYR 58 2HE TYR 58 -12.617 -5.704 -5.461 467 HH TYR 58 HH TYR 58 -14.702 -3.748 -7.265 468 H ILE 59 H ILE 59 -7.588 -4.861 -6.009 469 HA ILE 59 HA ILE 59 -9.189 -2.818 -4.953 470 HB ILE 59 HB ILE 59 -6.856 -4.190 -3.603 471 HG12 ILE 59 2HG1 ILE 59 -9.813 -4.824 -3.507 472 HG13 ILE 59 1HG1 ILE 59 -8.619 -5.735 -4.422 473 HG21 ILE 59 1HG2 ILE 59 -7.507 -2.134 -2.474 474 HG22 ILE 59 2HG2 ILE 59 -7.976 -3.542 -1.524 475 HG23 ILE 59 3HG2 ILE 59 -9.190 -2.664 -2.452 476 HD11 ILE 59 3HD1 ILE 59 -9.161 -6.845 -2.346 477 HD12 ILE 59 1HD1 ILE 59 -8.677 -5.413 -1.435 478 HD13 ILE 59 2HD1 ILE 59 -7.477 -6.323 -2.357 479 H VAL 60 H VAL 60 -5.668 -2.924 -5.536 480 HA VAL 60 HA VAL 60 -5.238 -0.309 -4.494 481 HB VAL 60 HB VAL 60 -3.417 -1.992 -4.642 482 HG11 VAL 60 1HG1 VAL 60 -3.911 -2.933 -6.832 483 HG12 VAL 60 2HG1 VAL 60 -2.258 -2.320 -6.786 484 HG13 VAL 60 3HG1 VAL 60 -3.521 -1.397 -7.604 485 HG21 VAL 60 3HG2 VAL 60 -2.857 0.345 -4.352 486 HG22 VAL 60 1HG2 VAL 60 -2.894 0.598 -6.097 487 HG23 VAL 60 2HG2 VAL 60 -1.664 -0.444 -5.384 488 H ARG 61 H ARG 61 -6.288 -1.511 -7.567 489 HA ARG 61 HA ARG 61 -5.742 0.790 -9.127 490 HB2 ARG 61 2HB ARG 61 -6.330 -1.358 -10.141 491 HB3 ARG 61 1HB ARG 61 -7.929 -1.283 -9.420 492 HG2 ARG 61 2HG ARG 61 -8.477 0.653 -10.780 493 HG3 ARG 61 1HG ARG 61 -6.853 0.645 -11.468 494 HD2 ARG 61 2HD ARG 61 -8.491 -0.388 -12.969 495 HD3 ARG 61 1HD ARG 61 -7.250 -1.530 -12.458 496 HE ARG 61 HE ARG 61 -9.286 -1.897 -10.679 497 HH11 ARG 61 1HH1 ARG 61 -9.020 -1.996 -14.164 498 HH12 ARG 61 2HH1 ARG 61 -10.247 -3.202 -14.354 499 HH21 ARG 61 1HH2 ARG 61 -10.924 -3.485 -10.931 500 HH22 ARG 61 2HH2 ARG 61 -11.341 -4.040 -12.515 501 H LEU 62 H LEU 62 -8.290 -0.061 -6.894 502 HA LEU 62 HA LEU 62 -9.768 2.376 -7.457 503 HB2 LEU 62 2HB LEU 62 -10.178 0.056 -5.612 504 HB3 LEU 62 1HB LEU 62 -11.037 1.556 -5.320 505 HG LEU 62 HG LEU 62 -12.025 1.396 -7.587 506 HD11 LEU 62 1HD1 LEU 62 -10.697 -1.308 -7.636 507 HD12 LEU 62 2HD1 LEU 62 -10.314 0.061 -8.680 508 HD13 LEU 62 3HD1 LEU 62 -11.889 -0.726 -8.800 509 HD21 LEU 62 3HD2 LEU 62 -13.253 0.598 -5.662 510 HD22 LEU 62 1HD2 LEU 62 -12.457 -0.970 -5.776 511 HD23 LEU 62 2HD2 LEU 62 -13.560 -0.447 -7.049 512 H LEU 63 H LEU 63 -7.563 1.117 -5.060 513 HA LEU 63 HA LEU 63 -7.921 3.332 -3.271 514 HB2 LEU 63 2HB LEU 63 -6.051 0.989 -3.256 515 HB3 LEU 63 1HB LEU 63 -6.062 2.221 -2.005 516 HG LEU 63 HG LEU 63 -8.407 0.467 -2.737 517 HD11 LEU 63 1HD1 LEU 63 -6.632 -0.795 -1.653 518 HD12 LEU 63 2HD1 LEU 63 -8.026 -0.611 -0.587 519 HD13 LEU 63 3HD1 LEU 63 -6.591 0.383 -0.343 520 HD21 LEU 63 3HD2 LEU 63 -9.038 2.698 -1.905 521 HD22 LEU 63 1HD2 LEU 63 -8.076 2.406 -0.456 522 HD23 LEU 63 2HD2 LEU 63 -9.491 1.408 -0.790 523 H SER 64 H SER 64 -6.325 3.158 -6.122 524 HA SER 64 HA SER 64 -4.133 4.889 -5.283 525 HB2 SER 64 2HB SER 64 -3.606 4.809 -7.803 526 HB3 SER 64 1HB SER 64 -3.394 3.321 -6.879 527 HG SER 64 HG SER 64 -5.092 2.449 -7.827 528 H LYS 65 H LYS 65 -7.121 5.003 -7.165 529 HA LYS 65 HA LYS 65 -6.724 7.890 -7.526 530 HB2 LYS 65 2HB LYS 65 -8.403 7.766 -9.303 531 HB3 LYS 65 1HB LYS 65 -7.087 6.641 -9.596 532 HG2 LYS 65 2HG LYS 65 -8.499 4.813 -8.733 533 HG3 LYS 65 1HG LYS 65 -9.827 5.961 -8.546 534 HD2 LYS 65 2HD LYS 65 -9.586 6.472 -11.003 535 HD3 LYS 65 1HD LYS 65 -8.476 5.107 -11.101 536 HE2 LYS 65 2HE LYS 65 -11.396 5.083 -10.407 537 HE3 LYS 65 1HE LYS 65 -10.587 4.283 -11.754 538 HZ1 LYS 65 3HZ LYS 65 -9.356 3.002 -9.949 539 HZ2 LYS 65 1HZ LYS 65 -10.982 2.600 -10.224 540 HZ3 LYS 65 2HZ LYS 65 -10.555 3.566 -8.895 541 H LYS 66 H LYS 66 -7.301 7.400 -5.061 542 HA LYS 66 HA LYS 66 -9.941 7.207 -4.220 543 HB2 LYS 66 2HB LYS 66 -7.716 8.832 -2.967 544 HB3 LYS 66 1HB LYS 66 -9.173 8.276 -2.156 545 HG2 LYS 66 2HG LYS 66 -8.491 5.982 -2.383 546 HG3 LYS 66 1HG LYS 66 -7.101 6.454 -3.357 547 HD2 LYS 66 2HD LYS 66 -7.549 7.237 -0.479 548 HD3 LYS 66 1HD LYS 66 -6.502 5.927 -1.024 549 HE2 LYS 66 2HE LYS 66 -5.233 7.636 -2.359 550 HE3 LYS 66 1HE LYS 66 -6.178 8.882 -1.546 551 HZ1 LYS 66 3HZ LYS 66 -4.183 8.669 -0.343 552 HZ2 LYS 66 1HZ LYS 66 -4.247 6.977 -0.340 553 HZ3 LYS 66 2HZ LYS 66 -5.345 7.865 0.591 554 H VAL 67 H VAL 67 -11.553 8.391 -4.973 555 HA VAL 67 HA VAL 67 -11.117 11.234 -5.543 556 HB VAL 67 HB VAL 67 -13.286 11.121 -6.786 557 HG11 VAL 67 1HG1 VAL 67 -11.165 10.959 -7.955 558 HG12 VAL 67 2HG1 VAL 67 -12.374 9.926 -8.719 559 HG13 VAL 67 3HG1 VAL 67 -11.130 9.219 -7.686 560 HG21 VAL 67 3HG2 VAL 67 -14.154 8.900 -7.397 561 HG22 VAL 67 1HG2 VAL 67 -14.287 9.216 -5.666 562 HG23 VAL 67 2HG2 VAL 67 -13.010 8.160 -6.274 563 H LYS 68 H LYS 68 -12.322 12.827 -4.658 564 HA LYS 68 HA LYS 68 -13.886 12.061 -2.285 565 HB2 LYS 68 2HB LYS 68 -12.606 14.726 -2.921 566 HB3 LYS 68 1HB LYS 68 -13.358 14.264 -1.401 567 HG2 LYS 68 2HG LYS 68 -11.615 12.675 -0.959 568 HG3 LYS 68 1HG LYS 68 -10.913 12.941 -2.555 569 HD2 LYS 68 2HD LYS 68 -9.555 14.227 -1.179 570 HD3 LYS 68 1HD LYS 68 -10.708 15.407 -1.800 571 HE2 LYS 68 2HE LYS 68 -10.836 14.040 0.889 572 HE3 LYS 68 1HE LYS 68 -10.319 15.697 0.600 573 HZ1 LYS 68 3HZ LYS 68 -12.529 15.841 1.301 574 HZ2 LYS 68 1HZ LYS 68 -13.033 14.549 0.327 575 HZ3 LYS 68 2HZ LYS 68 -12.621 16.035 -0.378 576 H ASN 69 H ASN 69 -14.494 12.758 -5.358 577 HA ASN 69 HA ASN 69 -16.515 14.819 -4.898 578 HB2 ASN 69 2HB ASN 69 -14.973 15.140 -6.782 579 HB3 ASN 69 1HB ASN 69 -15.528 13.630 -7.495 580 HD21 ASN 69 1HD2 ASN 69 -17.374 13.611 -8.665 581 HD22 ASN 69 2HD2 ASN 69 -18.348 15.003 -8.970 582 H MET 70 H MET 70 -16.425 11.812 -6.844 583 HA MET 70 HA MET 70 -19.204 11.344 -5.996 584 HB2 MET 70 2HB MET 70 -17.768 10.409 -8.490 585 HB3 MET 70 1HB MET 70 -19.369 9.864 -8.015 586 HG2 MET 70 2HG MET 70 -18.597 12.698 -8.664 587 HG3 MET 70 1HG MET 70 -19.454 11.590 -9.730 588 HE1 MET 70 3HE MET 70 -21.362 13.382 -10.095 589 HE2 MET 70 1HE MET 70 -20.506 14.506 -9.038 590 HE3 MET 70 2HE MET 70 -22.221 14.188 -8.781 Start of MODEL 16 1 H1 ALA 1 1HT ALA 1 18.325 5.794 7.628 2 H2 ALA 1 2HT ALA 1 18.312 4.600 6.429 3 H3 ALA 1 3HT ALA 1 17.297 4.456 7.779 4 HA ALA 1 HA ALA 1 16.196 6.564 7.069 5 HB1 ALA 1 1HB ALA 1 17.990 7.345 5.590 6 HB2 ALA 1 2HB ALA 1 16.453 7.210 4.733 7 HB3 ALA 1 3HB ALA 1 17.691 5.975 4.518 8 H SER 2 H SER 2 14.493 5.206 7.528 9 HA SER 2 HA SER 2 13.317 3.953 5.170 10 HB2 SER 2 2HB SER 2 13.591 2.454 7.796 11 HB3 SER 2 1HB SER 2 12.776 1.871 6.344 12 HG SER 2 HG SER 2 15.206 2.588 5.617 13 H ASN 3 H ASN 3 11.170 4.361 5.058 14 HA ASN 3 HA ASN 3 9.918 5.861 7.211 15 HB2 ASN 3 2HB ASN 3 9.599 6.439 4.778 16 HB3 ASN 3 1HB ASN 3 8.727 4.924 4.586 17 HD21 ASN 3 1HD2 ASN 3 7.869 7.712 4.203 18 HD22 ASN 3 2HD2 ASN 3 6.469 7.907 5.199 19 H PHE 4 H PHE 4 9.527 2.802 5.530 20 HA PHE 4 HA PHE 4 8.056 1.775 7.853 21 HB2 PHE 4 2HB PHE 4 6.713 0.389 6.235 22 HB3 PHE 4 1HB PHE 4 6.398 2.117 6.165 23 HD1 PHE 4 2HD PHE 4 8.363 -0.564 4.522 24 HD2 PHE 4 1HD PHE 4 6.526 3.256 4.154 25 HE1 PHE 4 2HE PHE 4 8.836 -0.577 2.113 26 HE2 PHE 4 1HE PHE 4 6.997 3.247 1.742 27 HZ PHE 4 HZ PHE 4 8.145 1.328 0.724 28 H ASP 5 H ASP 5 7.821 -0.825 7.184 29 HA ASP 5 HA ASP 5 10.443 -1.729 6.253 30 HB2 ASP 5 2HB ASP 5 10.509 -1.684 8.716 31 HB3 ASP 5 1HB ASP 5 9.081 -2.710 8.773 32 H CYS 6 H CYS 6 9.780 -2.641 4.390 33 HA CYS 6 HA CYS 6 7.749 -4.036 3.544 34 HB2 CYS 6 2HB CYS 6 9.250 -5.362 2.206 35 HB3 CYS 6 1HB CYS 6 9.925 -3.752 2.391 36 H CYS 7 H CYS 7 6.823 -6.055 3.644 37 HA CYS 7 HA CYS 7 7.077 -7.558 6.046 38 HB2 CYS 7 2HB CYS 7 5.659 -8.281 3.475 39 HB3 CYS 7 1HB CYS 7 5.356 -8.930 5.071 40 H LEU 8 H LEU 8 7.935 -9.671 6.281 41 HA LEU 8 HA LEU 8 10.067 -10.396 4.534 42 HB2 LEU 8 2HB LEU 8 8.705 -11.969 6.724 43 HB3 LEU 8 1HB LEU 8 10.165 -12.480 5.901 44 HG LEU 8 HG LEU 8 9.858 -10.056 7.669 45 HD11 LEU 8 1HD1 LEU 8 9.996 -12.164 8.879 46 HD12 LEU 8 2HD1 LEU 8 11.470 -11.216 9.089 47 HD13 LEU 8 3HD1 LEU 8 11.455 -12.590 7.985 48 HD21 LEU 8 3HD2 LEU 8 12.245 -11.021 6.100 49 HD22 LEU 8 1HD2 LEU 8 12.285 -9.764 7.337 50 HD23 LEU 8 2HD2 LEU 8 11.363 -9.514 5.855 51 H GLY 9 H GLY 9 6.761 -10.779 4.290 52 HA2 GLY 9 2HA GLY 9 6.947 -12.143 1.832 53 HA3 GLY 9 1HA GLY 9 6.410 -13.263 3.078 54 H TYR 10 H TYR 10 4.849 -12.531 0.852 55 HA TYR 10 HA TYR 10 2.730 -10.995 2.173 56 HB2 TYR 10 2HB TYR 10 1.869 -10.809 -0.306 57 HB3 TYR 10 1HB TYR 10 3.049 -9.684 0.350 58 HD1 TYR 10 1HD TYR 10 3.099 -13.045 -1.224 59 HD2 TYR 10 2HD TYR 10 4.712 -9.135 -1.085 60 HE1 TYR 10 1HE TYR 10 4.658 -13.643 -3.046 61 HE2 TYR 10 2HE TYR 10 6.290 -9.697 -2.892 62 HH TYR 10 HH TYR 10 7.359 -11.934 -3.762 63 H THR 11 H THR 11 0.475 -11.643 1.580 64 HA THR 11 HA THR 11 0.370 -14.469 2.231 65 HB THR 11 HB THR 11 -0.798 -12.684 3.573 66 HG1 THR 11 1HG THR 11 -1.377 -14.980 3.588 67 HG21 THR 11 3HG2 THR 11 -2.710 -12.702 1.239 68 HG22 THR 11 1HG2 THR 11 -1.698 -11.348 1.745 69 HG23 THR 11 2HG2 THR 11 -2.994 -11.921 2.794 70 H ASP 12 H ASP 12 -0.858 -16.012 1.220 71 HA ASP 12 HA ASP 12 -1.535 -15.493 -1.575 72 HB2 ASP 12 2HB ASP 12 -0.059 -17.446 -0.809 73 HB3 ASP 12 1HB ASP 12 -1.526 -18.163 -0.155 74 H ARG 13 H ARG 13 -3.321 -14.198 -0.523 75 HA ARG 13 HA ARG 13 -5.743 -15.876 -0.320 76 HB2 ARG 13 2HB ARG 13 -5.201 -13.302 1.175 77 HB3 ARG 13 1HB ARG 13 -6.683 -14.243 1.248 78 HG2 ARG 13 2HG ARG 13 -5.465 -16.108 2.263 79 HG3 ARG 13 1HG ARG 13 -3.974 -15.168 2.198 80 HD2 ARG 13 2HD ARG 13 -4.894 -15.056 4.423 81 HD3 ARG 13 1HD ARG 13 -5.027 -13.473 3.659 82 HE ARG 13 HE ARG 13 -7.426 -14.509 3.126 83 HH11 ARG 13 1HH1 ARG 13 -5.594 -14.470 6.127 84 HH12 ARG 13 2HH1 ARG 13 -7.014 -14.462 7.129 85 HH21 ARG 13 1HH2 ARG 13 -9.284 -14.484 4.463 86 HH22 ARG 13 2HH2 ARG 13 -9.113 -14.444 6.191 87 H ILE 14 H ILE 14 -7.759 -14.355 -0.636 88 HA ILE 14 HA ILE 14 -7.075 -12.043 -2.327 89 HB ILE 14 HB ILE 14 -9.585 -13.724 -2.535 90 HG12 ILE 14 2HG1 ILE 14 -8.916 -13.827 -4.953 91 HG13 ILE 14 1HG1 ILE 14 -7.383 -13.093 -4.497 92 HG21 ILE 14 1HG2 ILE 14 -8.942 -11.081 -3.820 93 HG22 ILE 14 2HG2 ILE 14 -10.231 -11.410 -2.663 94 HG23 ILE 14 3HG2 ILE 14 -10.294 -12.115 -4.279 95 HD11 ILE 14 3HD1 ILE 14 -6.882 -14.963 -3.087 96 HD12 ILE 14 1HD1 ILE 14 -7.239 -15.508 -4.728 97 HD13 ILE 14 2HD1 ILE 14 -8.451 -15.685 -3.453 98 H LEU 15 H LEU 15 -6.895 -10.710 -0.637 99 HA LEU 15 HA LEU 15 -8.892 -10.364 1.359 100 HB2 LEU 15 2HB LEU 15 -6.522 -8.727 0.451 101 HB3 LEU 15 1HB LEU 15 -7.606 -8.165 1.722 102 HG LEU 15 HG LEU 15 -5.712 -9.120 2.791 103 HD11 LEU 15 1HD1 LEU 15 -7.946 -11.141 2.838 104 HD12 LEU 15 2HD1 LEU 15 -7.827 -9.694 3.839 105 HD13 LEU 15 3HD1 LEU 15 -6.660 -11.001 4.034 106 HD21 LEU 15 3HD2 LEU 15 -4.949 -11.423 2.366 107 HD22 LEU 15 1HD2 LEU 15 -4.785 -10.395 0.943 108 HD23 LEU 15 2HD2 LEU 15 -6.109 -11.552 1.043 109 H HIS 16 H HIS 16 -10.160 -8.291 1.564 110 HA HIS 16 HA HIS 16 -11.068 -7.519 -1.123 111 HB2 HIS 16 2HB HIS 16 -12.734 -8.583 1.139 112 HB3 HIS 16 1HB HIS 16 -13.415 -7.736 -0.245 113 HD1 HIS 16 1HD HIS 16 -14.236 -10.554 0.325 114 HD2 HIS 16 2HD HIS 16 -11.034 -9.579 -2.123 115 HE1 HIS 16 1HE HIS 16 -14.016 -12.433 -1.248 116 HE2 HIS 16 2HE HIS 16 -12.307 -11.699 -2.935 117 HA PRO 17 HA PRO 17 -11.894 -3.386 0.415 118 HB2 PRO 17 2HB PRO 17 -14.527 -3.736 -0.908 119 HB3 PRO 17 1HB PRO 17 -13.328 -2.460 -1.131 120 HG2 PRO 17 2HG PRO 17 -13.724 -4.379 -2.970 121 HG3 PRO 17 1HG PRO 17 -12.123 -3.681 -2.666 122 HD2 PRO 17 2HD PRO 17 -13.212 -6.345 -1.877 123 HD3 PRO 17 1HD PRO 17 -11.548 -5.862 -2.279 124 H LYS 18 H LYS 18 -14.156 -6.060 0.579 125 HA LYS 18 HA LYS 18 -15.919 -5.095 2.537 126 HB2 LYS 18 2HB LYS 18 -16.784 -7.277 2.608 127 HB3 LYS 18 1HB LYS 18 -16.121 -7.123 0.998 128 HG2 LYS 18 2HG LYS 18 -14.303 -8.484 1.487 129 HG3 LYS 18 1HG LYS 18 -14.619 -8.422 3.221 130 HD2 LYS 18 2HD LYS 18 -15.317 -10.560 2.158 131 HD3 LYS 18 1HD LYS 18 -16.629 -9.709 2.964 132 HE2 LYS 18 2HE LYS 18 -16.160 -9.344 0.025 133 HE3 LYS 18 1HE LYS 18 -17.029 -10.756 0.617 134 HZ1 LYS 18 3HZ LYS 18 -17.801 -7.900 0.949 135 HZ2 LYS 18 1HZ LYS 18 -18.564 -9.184 1.761 136 HZ3 LYS 18 2HZ LYS 18 -18.616 -9.093 0.067 137 H PHE 19 H PHE 19 -12.700 -6.136 2.763 138 HA PHE 19 HA PHE 19 -12.910 -6.235 5.704 139 HB2 PHE 19 2HB PHE 19 -10.853 -7.602 3.959 140 HB3 PHE 19 1HB PHE 19 -10.899 -7.655 5.715 141 HD1 PHE 19 1HD PHE 19 -13.744 -8.100 6.250 142 HD2 PHE 19 2HD PHE 19 -11.219 -9.771 3.255 143 HE1 PHE 19 1HE PHE 19 -15.187 -10.083 6.148 144 HE2 PHE 19 2HE PHE 19 -12.661 -11.764 3.151 145 HZ PHE 19 HZ PHE 19 -14.643 -11.922 4.602 146 H ILE 20 H ILE 20 -11.723 -4.444 3.110 147 HA ILE 20 HA ILE 20 -9.316 -3.569 4.536 148 HB ILE 20 HB ILE 20 -10.170 -3.332 1.654 149 HG12 ILE 20 2HG1 ILE 20 -7.502 -4.275 2.636 150 HG13 ILE 20 1HG1 ILE 20 -8.894 -5.345 2.791 151 HG21 ILE 20 1HG2 ILE 20 -8.151 -2.020 1.220 152 HG22 ILE 20 2HG2 ILE 20 -7.825 -1.946 2.952 153 HG23 ILE 20 3HG2 ILE 20 -9.260 -1.163 2.289 154 HD11 ILE 20 3HD1 ILE 20 -7.783 -4.167 0.261 155 HD12 ILE 20 1HD1 ILE 20 -9.257 -5.133 0.363 156 HD13 ILE 20 2HD1 ILE 20 -7.702 -5.850 0.785 157 H VAL 21 H VAL 21 -9.212 -1.681 5.528 158 HA VAL 21 HA VAL 21 -11.339 0.281 4.983 159 HB VAL 21 HB VAL 21 -11.286 -0.711 7.278 160 HG11 VAL 21 1HG1 VAL 21 -8.855 -0.929 7.498 161 HG12 VAL 21 2HG1 VAL 21 -9.573 -0.059 8.852 162 HG13 VAL 21 3HG1 VAL 21 -8.718 0.829 7.592 163 HG21 VAL 21 3HG2 VAL 21 -11.530 1.417 8.478 164 HG22 VAL 21 1HG2 VAL 21 -12.348 1.427 6.919 165 HG23 VAL 21 2HG2 VAL 21 -10.804 2.259 7.108 166 H GLY 22 H GLY 22 -8.001 -0.330 4.772 167 HA2 GLY 22 2HA GLY 22 -7.509 2.330 3.744 168 HA3 GLY 22 1HA GLY 22 -6.647 1.959 5.233 169 H PHE 23 H PHE 23 -5.586 2.481 2.564 170 HA PHE 23 HA PHE 23 -4.051 -0.010 2.204 171 HB2 PHE 23 2HB PHE 23 -5.331 -0.242 0.355 172 HB3 PHE 23 1HB PHE 23 -5.736 1.473 0.284 173 HD1 PHE 23 2HD PHE 23 -3.053 -0.966 -0.362 174 HD2 PHE 23 1HD PHE 23 -4.639 2.890 -1.127 175 HE1 PHE 23 2HE PHE 23 -1.384 -0.642 -2.126 176 HE2 PHE 23 1HE PHE 23 -2.969 3.231 -2.903 177 HZ PHE 23 HZ PHE 23 -1.345 1.449 -3.366 178 H THR 24 H THR 24 -1.957 0.251 2.081 179 HA THR 24 HA THR 24 -0.829 2.843 1.310 180 HB THR 24 HB THR 24 0.206 1.275 3.676 181 HG1 THR 24 1HG THR 24 -1.331 3.685 3.673 182 HG21 THR 24 3HG2 THR 24 1.524 3.294 4.108 183 HG22 THR 24 1HG2 THR 24 0.844 4.051 2.668 184 HG23 THR 24 2HG2 THR 24 1.880 2.631 2.514 185 H ARG 25 H ARG 25 0.364 2.331 -0.466 186 HA ARG 25 HA ARG 25 1.324 -0.347 -0.819 187 HB2 ARG 25 2HB ARG 25 2.242 0.404 -2.939 188 HB3 ARG 25 1HB ARG 25 0.579 0.944 -2.760 189 HG2 ARG 25 2HG ARG 25 1.236 3.177 -2.393 190 HG3 ARG 25 1HG ARG 25 2.920 2.717 -2.129 191 HD2 ARG 25 2HD ARG 25 2.649 3.714 -4.325 192 HD3 ARG 25 1HD ARG 25 3.086 2.012 -4.472 193 HE ARG 25 HE ARG 25 0.355 3.061 -4.845 194 HH11 ARG 25 1HH1 ARG 25 2.864 0.733 -5.561 195 HH12 ARG 25 2HH1 ARG 25 1.984 -0.016 -6.860 196 HH21 ARG 25 1HH2 ARG 25 -0.815 2.079 -6.552 197 HH22 ARG 25 2HH2 ARG 25 -0.106 0.761 -7.423 198 H GLN 26 H GLN 26 3.218 -1.147 -0.364 199 HA GLN 26 HA GLN 26 5.252 0.589 0.829 200 HB2 GLN 26 2HB GLN 26 4.883 -1.041 2.385 201 HB3 GLN 26 1HB GLN 26 4.320 -2.199 1.193 202 HG2 GLN 26 2HG GLN 26 6.828 -2.301 0.513 203 HG3 GLN 26 1HG GLN 26 7.086 -1.618 2.117 204 HE21 GLN 26 1HE2 GLN 26 4.844 -2.897 3.348 205 HE22 GLN 26 2HE2 GLN 26 5.231 -4.572 3.503 206 H LEU 27 H LEU 27 7.179 0.865 -0.180 207 HA LEU 27 HA LEU 27 7.473 -0.512 -2.765 208 HB2 LEU 27 2HB LEU 27 8.275 2.330 -2.143 209 HB3 LEU 27 1HB LEU 27 8.394 1.531 -3.698 210 HG LEU 27 HG LEU 27 5.768 1.288 -3.377 211 HD11 LEU 27 1HD1 LEU 27 4.801 3.213 -2.274 212 HD12 LEU 27 2HD1 LEU 27 6.403 3.793 -1.823 213 HD13 LEU 27 3HD1 LEU 27 5.781 2.296 -1.129 214 HD21 LEU 27 3HD2 LEU 27 7.137 3.836 -4.233 215 HD22 LEU 27 1HD2 LEU 27 5.497 3.351 -4.660 216 HD23 LEU 27 2HD2 LEU 27 6.873 2.410 -5.238 217 H ALA 28 H ALA 28 9.715 -0.289 -3.652 218 HA ALA 28 HA ALA 28 11.618 -1.182 -1.645 219 HB1 ALA 28 1HB ALA 28 12.959 -1.876 -3.561 220 HB2 ALA 28 2HB ALA 28 11.833 -1.069 -4.655 221 HB3 ALA 28 3HB ALA 28 11.304 -2.465 -3.716 222 H ASN 29 H ASN 29 10.867 1.621 -1.721 223 HA ASN 29 HA ASN 29 13.426 2.843 -2.511 224 HB2 ASN 29 2HB ASN 29 10.689 4.093 -2.860 225 HB3 ASN 29 1HB ASN 29 12.228 4.853 -3.247 226 HD21 ASN 29 1HD2 ASN 29 9.828 2.594 -4.236 227 HD22 ASN 29 2HD2 ASN 29 10.473 2.266 -5.804 228 H GLU 30 H GLU 30 10.474 3.359 -0.578 229 HA GLU 30 HA GLU 30 11.791 5.413 0.975 230 HB2 GLU 30 2HB GLU 30 9.031 4.247 1.341 231 HB3 GLU 30 1HB GLU 30 9.638 5.754 2.013 232 HG2 GLU 30 2HG GLU 30 9.029 5.122 -0.857 233 HG3 GLU 30 1HG GLU 30 8.260 6.320 0.179 234 H GLY 31 H GLY 31 12.913 2.801 1.240 235 HA2 GLY 31 2HA GLY 31 13.689 2.654 3.774 236 HA3 GLY 31 1HA GLY 31 12.111 1.888 3.880 237 H CYS 32 H CYS 32 11.812 -0.121 3.086 238 HA CYS 32 HA CYS 32 14.113 -1.774 2.955 239 HB2 CYS 32 2HB CYS 32 11.982 -2.524 3.920 240 HB3 CYS 32 1HB CYS 32 11.238 -2.444 2.329 241 H ASP 33 H ASP 33 14.535 -3.318 1.180 242 HA ASP 33 HA ASP 33 14.513 -1.852 -1.338 243 HB2 ASP 33 2HB ASP 33 16.257 -3.366 -2.066 244 HB3 ASP 33 1HB ASP 33 16.658 -2.738 -0.471 245 H ILE 34 H ILE 34 12.537 -4.085 0.066 246 HA ILE 34 HA ILE 34 11.737 -5.065 -2.595 247 HB ILE 34 HB ILE 34 10.910 -7.053 -1.741 248 HG12 ILE 34 2HG1 ILE 34 11.016 -5.956 1.077 249 HG13 ILE 34 1HG1 ILE 34 9.566 -5.973 0.078 250 HG21 ILE 34 1HG2 ILE 34 12.643 -8.020 -0.318 251 HG22 ILE 34 2HG2 ILE 34 13.216 -6.401 0.084 252 HG23 ILE 34 3HG2 ILE 34 13.345 -6.995 -1.573 253 HD11 ILE 34 3HD1 ILE 34 9.611 -7.825 1.671 254 HD12 ILE 34 1HD1 ILE 34 11.110 -8.406 0.945 255 HD13 ILE 34 2HD1 ILE 34 9.619 -8.396 0.002 256 H ASN 35 H ASN 35 9.240 -5.480 -2.651 257 HA ASN 35 HA ASN 35 7.917 -3.268 -1.256 258 HB2 ASN 35 2HB ASN 35 6.780 -2.590 -3.339 259 HB3 ASN 35 1HB ASN 35 8.524 -2.387 -3.435 260 HD21 ASN 35 1HD2 ASN 35 9.701 -3.652 -4.860 261 HD22 ASN 35 2HD2 ASN 35 8.953 -4.618 -6.083 262 H ALA 36 H ALA 36 5.951 -3.686 -0.508 263 HA ALA 36 HA ALA 36 4.357 -5.812 -1.780 264 HB1 ALA 36 1HB ALA 36 3.641 -6.660 0.385 265 HB2 ALA 36 2HB ALA 36 4.672 -5.484 1.203 266 HB3 ALA 36 3HB ALA 36 5.394 -6.767 0.232 267 H ILE 37 H ILE 37 2.015 -5.650 -1.152 268 HA ILE 37 HA ILE 37 1.225 -2.830 -1.023 269 HB ILE 37 HB ILE 37 -0.391 -5.291 -1.709 270 HG12 ILE 37 2HG1 ILE 37 1.309 -4.794 -3.391 271 HG13 ILE 37 1HG1 ILE 37 -0.302 -4.453 -4.013 272 HG21 ILE 37 1HG2 ILE 37 -1.131 -2.381 -1.910 273 HG22 ILE 37 2HG2 ILE 37 -1.787 -3.546 -0.762 274 HG23 ILE 37 3HG2 ILE 37 -2.102 -3.733 -2.488 275 HD11 ILE 37 3HD1 ILE 37 1.289 -2.747 -4.677 276 HD12 ILE 37 1HD1 ILE 37 1.662 -2.416 -2.986 277 HD13 ILE 37 2HD1 ILE 37 0.051 -2.073 -3.617 278 H ILE 38 H ILE 38 0.792 -2.087 1.023 279 HA ILE 38 HA ILE 38 0.010 -4.024 3.048 280 HB ILE 38 HB ILE 38 0.510 -1.064 3.406 281 HG12 ILE 38 2HG1 ILE 38 2.339 -3.401 4.000 282 HG13 ILE 38 1HG1 ILE 38 2.502 -2.344 2.600 283 HG21 ILE 38 1HG2 ILE 38 0.717 -1.663 5.788 284 HG22 ILE 38 2HG2 ILE 38 0.279 -3.324 5.395 285 HG23 ILE 38 3HG2 ILE 38 -0.889 -2.026 5.152 286 HD11 ILE 38 3HD1 ILE 38 2.717 -1.507 5.484 287 HD12 ILE 38 1HD1 ILE 38 2.887 -0.447 4.085 288 HD13 ILE 38 2HD1 ILE 38 4.058 -1.735 4.362 289 H PHE 39 H PHE 39 -2.086 -4.577 2.844 290 HA PHE 39 HA PHE 39 -4.078 -2.445 2.675 291 HB2 PHE 39 2HB PHE 39 -4.230 -5.430 2.386 292 HB3 PHE 39 1HB PHE 39 -5.678 -4.486 2.700 293 HD1 PHE 39 2HD PHE 39 -4.991 -2.059 1.036 294 HD2 PHE 39 1HD PHE 39 -4.677 -6.232 0.252 295 HE1 PHE 39 2HE PHE 39 -5.227 -1.618 -1.388 296 HE2 PHE 39 1HE PHE 39 -4.907 -5.805 -2.147 297 HZ PHE 39 HZ PHE 39 -5.180 -3.505 -2.964 298 H HIS 40 H HIS 40 -4.917 -1.644 4.448 299 HA HIS 40 HA HIS 40 -4.449 -3.032 6.988 300 HB2 HIS 40 2HB HIS 40 -5.614 -0.264 6.679 301 HB3 HIS 40 1HB HIS 40 -4.793 -0.954 8.073 302 HD1 HIS 40 1HD HIS 40 -2.402 -0.253 8.338 303 HD2 HIS 40 2HD HIS 40 -3.718 0.042 4.409 304 HE1 HIS 40 1HE HIS 40 -0.541 0.887 7.058 305 HE2 HIS 40 2HE HIS 40 -1.494 1.304 4.781 306 H THR 41 H THR 41 -6.025 -4.346 7.609 307 HA THR 41 HA THR 41 -8.626 -4.129 6.417 308 HB THR 41 HB THR 41 -9.181 -6.141 7.751 309 HG1 THR 41 1HG THR 41 -6.448 -6.033 8.560 310 HG21 THR 41 3HG2 THR 41 -8.235 -6.362 5.509 311 HG22 THR 41 1HG2 THR 41 -7.663 -7.659 6.564 312 HG23 THR 41 2HG2 THR 41 -6.606 -6.300 6.183 313 H LYS 42 H LYS 42 -10.574 -3.884 7.453 314 HA LYS 42 HA LYS 42 -10.852 -2.009 9.492 315 HB2 LYS 42 2HB LYS 42 -12.567 -2.630 7.852 316 HB3 LYS 42 1HB LYS 42 -12.703 -4.223 8.578 317 HG2 LYS 42 2HG LYS 42 -13.579 -3.237 10.615 318 HG3 LYS 42 1HG LYS 42 -13.394 -1.621 9.919 319 HD2 LYS 42 2HD LYS 42 -14.934 -2.206 8.134 320 HD3 LYS 42 1HD LYS 42 -15.110 -3.828 8.801 321 HE2 LYS 42 2HE LYS 42 -16.086 -2.915 10.822 322 HE3 LYS 42 1HE LYS 42 -15.853 -1.275 10.213 323 HZ1 LYS 42 3HZ LYS 42 -18.114 -2.041 9.879 324 HZ2 LYS 42 1HZ LYS 42 -17.559 -3.351 8.958 325 HZ3 LYS 42 2HZ LYS 42 -17.350 -1.759 8.398 326 H LYS 43 H LYS 43 -10.022 -5.303 9.572 327 HA LYS 43 HA LYS 43 -10.846 -5.787 12.277 328 HB2 LYS 43 2HB LYS 43 -9.133 -7.461 10.439 329 HB3 LYS 43 1HB LYS 43 -9.802 -7.988 11.976 330 HG2 LYS 43 2HG LYS 43 -12.065 -7.683 11.095 331 HG3 LYS 43 1HG LYS 43 -11.383 -7.192 9.544 332 HD2 LYS 43 2HD LYS 43 -10.323 -9.392 9.319 333 HD3 LYS 43 1HD LYS 43 -11.012 -9.877 10.871 334 HE2 LYS 43 2HE LYS 43 -12.561 -9.101 8.396 335 HE3 LYS 43 1HE LYS 43 -12.345 -10.739 9.014 336 HZ1 LYS 43 3HZ LYS 43 -13.763 -8.520 10.398 337 HZ2 LYS 43 1HZ LYS 43 -13.517 -10.073 11.037 338 HZ3 LYS 43 2HZ LYS 43 -14.486 -9.870 9.665 339 H LYS 44 H LYS 44 -8.595 -3.862 11.171 340 HA LYS 44 HA LYS 44 -6.973 -2.714 12.257 341 HB2 LYS 44 2HB LYS 44 -7.319 -4.738 14.472 342 HB3 LYS 44 1HB LYS 44 -6.339 -3.283 14.574 343 HG2 LYS 44 2HG LYS 44 -9.318 -3.363 14.156 344 HG3 LYS 44 1HG LYS 44 -8.493 -3.001 15.672 345 HD2 LYS 44 2HD LYS 44 -7.434 -1.054 14.612 346 HD3 LYS 44 1HD LYS 44 -8.300 -1.411 13.117 347 HE2 LYS 44 2HE LYS 44 -9.634 -0.849 15.755 348 HE3 LYS 44 1HE LYS 44 -9.339 0.370 14.520 349 HZ1 LYS 44 3HZ LYS 44 -11.608 -0.700 14.550 350 HZ2 LYS 44 1HZ LYS 44 -10.863 -2.096 13.944 351 HZ3 LYS 44 2HZ LYS 44 -10.814 -0.654 13.051 352 H LEU 45 H LEU 45 -6.680 -5.540 10.863 353 HA LEU 45 HA LEU 45 -3.879 -5.985 11.620 354 HB2 LEU 45 2HB LEU 45 -5.731 -7.706 9.970 355 HB3 LEU 45 1HB LEU 45 -4.081 -8.109 10.406 356 HG LEU 45 HG LEU 45 -6.356 -7.759 12.361 357 HD11 LEU 45 1HD1 LEU 45 -6.614 -9.744 10.960 358 HD12 LEU 45 2HD1 LEU 45 -6.226 -10.179 12.624 359 HD13 LEU 45 3HD1 LEU 45 -4.981 -10.252 11.377 360 HD21 LEU 45 3HD2 LEU 45 -3.514 -8.696 12.754 361 HD22 LEU 45 1HD2 LEU 45 -4.779 -8.704 13.984 362 HD23 LEU 45 2HD2 LEU 45 -4.199 -7.175 13.328 363 H SER 46 H SER 46 -2.252 -5.604 10.237 364 HA SER 46 HA SER 46 -2.924 -4.437 7.648 365 HB2 SER 46 2HB SER 46 -0.446 -3.913 7.586 366 HB3 SER 46 1HB SER 46 -1.335 -3.149 8.903 367 HG SER 46 HG SER 46 0.204 -5.532 9.086 368 H VAL 47 H VAL 47 -3.127 -5.792 5.995 369 HA VAL 47 HA VAL 47 -1.777 -8.381 6.124 370 HB VAL 47 HB VAL 47 -3.921 -7.445 4.204 371 HG11 VAL 47 1HG1 VAL 47 -2.540 -9.221 3.291 372 HG12 VAL 47 2HG1 VAL 47 -4.152 -9.828 3.678 373 HG13 VAL 47 3HG1 VAL 47 -2.793 -10.187 4.743 374 HG21 VAL 47 3HG2 VAL 47 -4.138 -9.166 6.675 375 HG22 VAL 47 1HG2 VAL 47 -5.441 -8.842 5.529 376 HG23 VAL 47 2HG2 VAL 47 -4.763 -7.527 6.487 377 H CYS 48 H CYS 48 -0.168 -8.941 4.754 378 HA CYS 48 HA CYS 48 0.893 -6.829 3.092 379 HB2 CYS 48 2HB CYS 48 2.032 -9.566 3.713 380 HB3 CYS 48 1HB CYS 48 2.875 -8.251 2.900 381 H ALA 49 H ALA 49 -0.483 -6.706 1.452 382 HA ALA 49 HA ALA 49 -1.375 -8.946 -0.079 383 HB1 ALA 49 1HB ALA 49 -1.468 -5.979 -0.653 384 HB2 ALA 49 2HB ALA 49 -2.720 -6.914 0.160 385 HB3 ALA 49 3HB ALA 49 -2.350 -7.228 -1.535 386 H ASN 50 H ASN 50 -0.679 -9.554 -2.128 387 HA ASN 50 HA ASN 50 2.151 -9.135 -2.509 388 HB2 ASN 50 2HB ASN 50 0.587 -10.655 -4.538 389 HB3 ASN 50 1HB ASN 50 2.156 -11.015 -3.838 390 HD21 ASN 50 1HD2 ASN 50 0.864 -10.727 -1.056 391 HD22 ASN 50 2HD2 ASN 50 0.043 -12.248 -0.863 392 HA PRO 51 HA PRO 51 1.482 -6.156 -5.719 393 HB2 PRO 51 2HB PRO 51 4.221 -6.363 -6.554 394 HB3 PRO 51 1HB PRO 51 3.455 -5.098 -5.594 395 HG2 PRO 51 2HG PRO 51 5.330 -6.844 -4.609 396 HG3 PRO 51 1HG PRO 51 4.114 -6.015 -3.621 397 HD2 PRO 51 2HD PRO 51 4.097 -8.815 -4.689 398 HD3 PRO 51 1HD PRO 51 3.591 -8.212 -3.091 399 H LYS 52 H LYS 52 1.968 -9.368 -6.235 400 HA LYS 52 HA LYS 52 2.489 -9.144 -9.104 401 HB2 LYS 52 2HB LYS 52 2.513 -11.512 -7.242 402 HB3 LYS 52 1HB LYS 52 2.680 -11.659 -8.986 403 HG2 LYS 52 2HG LYS 52 4.680 -10.194 -8.859 404 HG3 LYS 52 1HG LYS 52 4.537 -10.229 -7.101 405 HD2 LYS 52 2HD LYS 52 4.802 -12.645 -7.105 406 HD3 LYS 52 1HD LYS 52 4.876 -12.649 -8.867 407 HE2 LYS 52 2HE LYS 52 7.106 -12.819 -7.982 408 HE3 LYS 52 1HE LYS 52 6.911 -11.242 -8.745 409 HZ1 LYS 52 3HZ LYS 52 6.610 -10.248 -6.580 410 HZ2 LYS 52 1HZ LYS 52 8.068 -11.117 -6.609 411 HZ3 LYS 52 2HZ LYS 52 6.707 -11.763 -5.825 412 H GLN 53 H GLN 53 0.105 -10.616 -6.907 413 HA GLN 53 HA GLN 53 -1.404 -11.756 -8.991 414 HB2 GLN 53 2HB GLN 53 -3.212 -11.617 -6.961 415 HB3 GLN 53 1HB GLN 53 -2.043 -12.904 -7.186 416 HG2 GLN 53 2HG GLN 53 -1.926 -12.263 -4.911 417 HG3 GLN 53 1HG GLN 53 -0.494 -11.619 -5.681 418 HE21 GLN 53 1HE2 GLN 53 -1.962 -10.781 -3.239 419 HE22 GLN 53 2HE2 GLN 53 -2.293 -9.102 -3.496 420 H THR 54 H THR 54 -3.812 -11.273 -9.293 421 HA THR 54 HA THR 54 -3.899 -8.480 -10.126 422 HB THR 54 HB THR 54 -6.093 -9.439 -11.259 423 HG1 THR 54 1HG THR 54 -5.055 -11.732 -11.877 424 HG21 THR 54 3HG2 THR 54 -4.745 -9.924 -13.247 425 HG22 THR 54 1HG2 THR 54 -3.293 -9.986 -12.247 426 HG23 THR 54 2HG2 THR 54 -4.180 -8.469 -12.423 427 H TRP 55 H TRP 55 -5.515 -10.619 -7.871 428 HA TRP 55 HA TRP 55 -7.875 -9.174 -7.548 429 HB2 TRP 55 2HB TRP 55 -8.180 -10.238 -5.448 430 HB3 TRP 55 1HB TRP 55 -7.516 -11.401 -6.581 431 HD1 TRP 55 HD TRP 55 -5.103 -12.280 -6.060 432 HE1 TRP 55 1HE TRP 55 -3.642 -12.254 -4.014 433 HE3 TRP 55 3HE TRP 55 -7.599 -8.818 -3.563 434 HZ2 TRP 55 2HZ TRP 55 -3.537 -10.848 -1.557 435 HZ3 TRP 55 3HZ TRP 55 -6.813 -8.170 -1.447 436 HH2 TRP 55 HH TRP 55 -4.855 -9.102 -0.388 437 H VAL 56 H VAL 56 -4.700 -8.672 -6.255 438 HA VAL 56 HA VAL 56 -5.367 -6.484 -4.585 439 HB VAL 56 HB VAL 56 -2.913 -7.756 -5.577 440 HG11 VAL 56 1HG1 VAL 56 -2.475 -5.485 -6.326 441 HG12 VAL 56 2HG1 VAL 56 -1.434 -5.938 -4.977 442 HG13 VAL 56 3HG1 VAL 56 -2.821 -4.880 -4.706 443 HG21 VAL 56 3HG2 VAL 56 -2.236 -7.413 -3.256 444 HG22 VAL 56 1HG2 VAL 56 -3.793 -8.229 -3.407 445 HG23 VAL 56 2HG2 VAL 56 -3.731 -6.520 -2.971 446 H LYS 57 H LYS 57 -4.163 -6.728 -7.912 447 HA LYS 57 HA LYS 57 -3.793 -4.000 -8.361 448 HB2 LYS 57 2HB LYS 57 -4.435 -6.234 -10.288 449 HB3 LYS 57 1HB LYS 57 -4.004 -4.601 -10.793 450 HG2 LYS 57 2HG LYS 57 -1.863 -4.837 -9.598 451 HG3 LYS 57 1HG LYS 57 -2.302 -6.495 -9.187 452 HD2 LYS 57 2HD LYS 57 -2.233 -7.167 -11.457 453 HD3 LYS 57 1HD LYS 57 -2.139 -5.497 -12.022 454 HE2 LYS 57 2HE LYS 57 0.037 -6.642 -12.128 455 HE3 LYS 57 1HE LYS 57 0.065 -5.257 -11.040 456 HZ1 LYS 57 3HZ LYS 57 -0.042 -8.130 -10.308 457 HZ2 LYS 57 1HZ LYS 57 -0.325 -6.883 -9.200 458 HZ3 LYS 57 2HZ LYS 57 1.180 -7.013 -9.955 459 H TYR 58 H TYR 58 -6.672 -5.998 -8.549 460 HA TYR 58 HA TYR 58 -8.374 -4.052 -9.661 461 HB2 TYR 58 2HB TYR 58 -9.392 -6.126 -9.632 462 HB3 TYR 58 1HB TYR 58 -8.758 -6.537 -8.042 463 HD1 TYR 58 2HD TYR 58 -11.098 -4.045 -9.574 464 HD2 TYR 58 1HD TYR 58 -10.262 -6.639 -6.303 465 HE1 TYR 58 2HE TYR 58 -13.233 -3.422 -8.538 466 HE2 TYR 58 1HE TYR 58 -12.399 -6.032 -5.269 467 HH TYR 58 HH TYR 58 -14.859 -4.472 -6.883 468 H ILE 59 H ILE 59 -7.652 -4.931 -6.284 469 HA ILE 59 HA ILE 59 -9.382 -3.092 -5.069 470 HB ILE 59 HB ILE 59 -6.805 -4.078 -3.862 471 HG12 ILE 59 2HG1 ILE 59 -9.516 -5.398 -3.951 472 HG13 ILE 59 1HG1 ILE 59 -8.070 -5.961 -4.768 473 HG21 ILE 59 1HG2 ILE 59 -7.913 -2.305 -2.621 474 HG22 ILE 59 2HG2 ILE 59 -8.058 -3.836 -1.759 475 HG23 ILE 59 3HG2 ILE 59 -9.434 -3.203 -2.662 476 HD11 ILE 59 3HD1 ILE 59 -8.454 -5.777 -1.795 477 HD12 ILE 59 1HD1 ILE 59 -7.003 -6.344 -2.623 478 HD13 ILE 59 2HD1 ILE 59 -8.510 -7.246 -2.773 479 H VAL 60 H VAL 60 -5.849 -2.896 -5.525 480 HA VAL 60 HA VAL 60 -5.584 -0.335 -4.399 481 HB VAL 60 HB VAL 60 -3.653 -1.751 -4.505 482 HG11 VAL 60 1HG1 VAL 60 -4.245 -2.991 -6.538 483 HG12 VAL 60 2HG1 VAL 60 -2.583 -2.396 -6.589 484 HG13 VAL 60 3HG1 VAL 60 -3.840 -1.575 -7.513 485 HG21 VAL 60 3HG2 VAL 60 -1.998 -0.258 -5.543 486 HG22 VAL 60 1HG2 VAL 60 -3.183 0.625 -4.582 487 HG23 VAL 60 2HG2 VAL 60 -3.302 0.619 -6.342 488 H ARG 61 H ARG 61 -6.441 -1.349 -7.639 489 HA ARG 61 HA ARG 61 -6.103 1.133 -8.925 490 HB2 ARG 61 2HB ARG 61 -6.556 -0.840 -10.236 491 HB3 ARG 61 1HB ARG 61 -8.093 -1.090 -9.418 492 HG2 ARG 61 2HG ARG 61 -8.922 1.015 -10.379 493 HG3 ARG 61 1HG ARG 61 -7.394 1.202 -11.240 494 HD2 ARG 61 2HD ARG 61 -7.806 -0.785 -12.523 495 HD3 ARG 61 1HD ARG 61 -9.239 -1.162 -11.561 496 HE ARG 61 HE ARG 61 -10.107 1.046 -12.463 497 HH11 ARG 61 1HH1 ARG 61 -7.980 -1.061 -14.288 498 HH12 ARG 61 2HH1 ARG 61 -8.464 -0.418 -15.831 499 HH21 ARG 61 1HH2 ARG 61 -10.741 1.890 -14.477 500 HH22 ARG 61 2HH2 ARG 61 -10.051 1.247 -15.940 501 H LEU 62 H LEU 62 -8.859 -0.252 -7.157 502 HA LEU 62 HA LEU 62 -10.451 2.120 -7.502 503 HB2 LEU 62 2HB LEU 62 -10.842 -0.345 -5.822 504 HB3 LEU 62 1HB LEU 62 -11.976 0.989 -5.841 505 HG LEU 62 HG LEU 62 -11.287 -0.867 -8.108 506 HD11 LEU 62 1HD1 LEU 62 -12.894 -1.722 -6.518 507 HD12 LEU 62 2HD1 LEU 62 -13.703 -1.318 -8.034 508 HD13 LEU 62 3HD1 LEU 62 -13.842 -0.240 -6.645 509 HD21 LEU 62 3HD2 LEU 62 -12.956 1.648 -8.187 510 HD22 LEU 62 1HD2 LEU 62 -12.825 0.461 -9.484 511 HD23 LEU 62 2HD2 LEU 62 -11.412 1.396 -9.001 512 H LEU 63 H LEU 63 -7.856 1.453 -5.640 513 HA LEU 63 HA LEU 63 -8.688 3.090 -3.373 514 HB2 LEU 63 2HB LEU 63 -6.540 1.156 -3.900 515 HB3 LEU 63 1HB LEU 63 -6.070 2.536 -2.929 516 HG LEU 63 HG LEU 63 -6.748 0.560 -1.591 517 HD11 LEU 63 1HD1 LEU 63 -6.906 2.778 -0.624 518 HD12 LEU 63 2HD1 LEU 63 -8.225 1.759 -0.057 519 HD13 LEU 63 3HD1 LEU 63 -8.524 2.979 -1.296 520 HD21 LEU 63 3HD2 LEU 63 -9.124 -0.002 -1.435 521 HD22 LEU 63 1HD2 LEU 63 -8.480 -0.324 -3.045 522 HD23 LEU 63 2HD2 LEU 63 -9.471 1.107 -2.762 523 H SER 64 H SER 64 -6.052 2.987 -5.761 524 HA SER 64 HA SER 64 -4.847 5.380 -4.873 525 HB2 SER 64 2HB SER 64 -4.546 4.027 -7.558 526 HB3 SER 64 1HB SER 64 -3.410 5.150 -6.814 527 HG SER 64 HG SER 64 -4.135 2.576 -5.847 528 H LYS 65 H LYS 65 -7.158 4.747 -7.492 529 HA LYS 65 HA LYS 65 -6.915 7.510 -8.382 530 HB2 LYS 65 2HB LYS 65 -8.133 5.048 -9.546 531 HB3 LYS 65 1HB LYS 65 -8.728 6.615 -10.073 532 HG2 LYS 65 2HG LYS 65 -7.097 5.957 -11.630 533 HG3 LYS 65 1HG LYS 65 -6.346 7.209 -10.641 534 HD2 LYS 65 2HD LYS 65 -5.157 5.522 -9.363 535 HD3 LYS 65 1HD LYS 65 -5.975 4.237 -10.259 536 HE2 LYS 65 2HE LYS 65 -4.950 5.051 -12.334 537 HE3 LYS 65 1HE LYS 65 -4.106 6.304 -11.426 538 HZ1 LYS 65 3HZ LYS 65 -2.719 4.362 -11.914 539 HZ2 LYS 65 1HZ LYS 65 -3.762 3.383 -11.007 540 HZ3 LYS 65 2HZ LYS 65 -2.888 4.619 -10.247 541 H LYS 66 H LYS 66 -8.507 6.154 -5.978 542 HA LYS 66 HA LYS 66 -11.059 7.480 -6.523 543 HB2 LYS 66 2HB LYS 66 -11.164 5.113 -5.851 544 HB3 LYS 66 1HB LYS 66 -10.365 5.518 -4.340 545 HG2 LYS 66 2HG LYS 66 -12.222 6.725 -3.558 546 HG3 LYS 66 1HG LYS 66 -12.970 6.756 -5.156 547 HD2 LYS 66 2HD LYS 66 -12.494 4.265 -3.524 548 HD3 LYS 66 1HD LYS 66 -14.030 5.126 -3.628 549 HE2 LYS 66 2HE LYS 66 -14.165 4.697 -5.998 550 HE3 LYS 66 1HE LYS 66 -12.568 3.958 -5.998 551 HZ1 LYS 66 3HZ LYS 66 -14.883 2.904 -4.466 552 HZ2 LYS 66 1HZ LYS 66 -13.383 2.155 -4.703 553 HZ3 LYS 66 2HZ LYS 66 -14.447 2.359 -6.009 554 H VAL 67 H VAL 67 -8.770 7.086 -3.856 555 HA VAL 67 HA VAL 67 -9.850 9.410 -2.530 556 HB VAL 67 HB VAL 67 -8.065 8.950 -0.804 557 HG11 VAL 67 1HG1 VAL 67 -10.348 8.162 -0.538 558 HG12 VAL 67 2HG1 VAL 67 -9.213 6.967 0.091 559 HG13 VAL 67 3HG1 VAL 67 -9.980 6.717 -1.479 560 HG21 VAL 67 3HG2 VAL 67 -6.931 6.800 -0.850 561 HG22 VAL 67 1HG2 VAL 67 -6.485 7.750 -2.266 562 HG23 VAL 67 2HG2 VAL 67 -7.648 6.432 -2.419 563 H LYS 68 H LYS 68 -9.417 11.120 -3.817 564 HA LYS 68 HA LYS 68 -6.585 11.710 -4.342 565 HB2 LYS 68 2HB LYS 68 -8.981 12.489 -6.013 566 HB3 LYS 68 1HB LYS 68 -7.311 12.915 -6.357 567 HG2 LYS 68 2HG LYS 68 -6.757 10.564 -6.655 568 HG3 LYS 68 1HG LYS 68 -8.424 10.119 -6.278 569 HD2 LYS 68 2HD LYS 68 -7.531 11.828 -8.600 570 HD3 LYS 68 1HD LYS 68 -8.022 10.136 -8.692 571 HE2 LYS 68 2HE LYS 68 -9.754 12.447 -7.810 572 HE3 LYS 68 1HE LYS 68 -9.831 11.631 -9.373 573 HZ1 LYS 68 3HZ LYS 68 -10.425 9.578 -8.221 574 HZ2 LYS 68 1HZ LYS 68 -11.544 10.814 -7.895 575 HZ3 LYS 68 2HZ LYS 68 -10.387 10.389 -6.735 576 H ASN 69 H ASN 69 -6.005 13.152 -2.876 577 HA ASN 69 HA ASN 69 -7.687 15.556 -2.586 578 HB2 ASN 69 2HB ASN 69 -6.698 15.930 -0.408 579 HB3 ASN 69 1HB ASN 69 -7.297 14.278 -0.455 580 HD21 ASN 69 1HD2 ASN 69 -4.507 16.319 -0.400 581 HD22 ASN 69 2HD2 ASN 69 -3.346 15.087 -0.051 582 H MET 70 H MET 70 -6.247 17.534 -1.998 583 HA MET 70 HA MET 70 -4.054 17.605 -3.963 584 HB2 MET 70 2HB MET 70 -6.100 19.200 -4.076 585 HB3 MET 70 1HB MET 70 -5.355 20.016 -2.710 586 HG2 MET 70 2HG MET 70 -3.949 19.557 -5.323 587 HG3 MET 70 1HG MET 70 -4.889 21.001 -4.967 588 HE1 MET 70 3HE MET 70 -4.215 22.808 -3.156 589 HE2 MET 70 1HE MET 70 -2.860 22.622 -2.047 590 HE3 MET 70 2HE MET 70 -4.258 21.550 -1.921 Start of MODEL 17 1 H1 ALA 1 1HT ALA 1 18.073 5.839 6.495 2 H2 ALA 1 2HT ALA 1 19.691 5.362 6.346 3 H3 ALA 1 3HT ALA 1 18.552 4.294 7.007 4 HA ALA 1 HA ALA 1 18.598 5.288 4.217 5 HB1 ALA 1 1HB ALA 1 19.180 2.538 5.305 6 HB2 ALA 1 2HB ALA 1 20.390 3.687 4.733 7 HB3 ALA 1 3HB ALA 1 19.204 3.023 3.609 8 H SER 2 H SER 2 17.229 2.720 6.315 9 HA SER 2 HA SER 2 14.872 2.688 4.597 10 HB2 SER 2 2HB SER 2 15.394 0.932 6.998 11 HB3 SER 2 1HB SER 2 14.278 0.639 5.665 12 HG SER 2 HG SER 2 16.485 0.841 4.427 13 H ASN 3 H ASN 3 13.479 4.306 5.063 14 HA ASN 3 HA ASN 3 12.853 5.344 7.596 15 HB2 ASN 3 2HB ASN 3 12.103 6.363 5.445 16 HB3 ASN 3 1HB ASN 3 11.003 5.008 5.213 17 HD21 ASN 3 1HD2 ASN 3 11.586 7.970 6.871 18 HD22 ASN 3 2HD2 ASN 3 10.029 8.103 7.633 19 H PHE 4 H PHE 4 11.256 2.874 5.665 20 HA PHE 4 HA PHE 4 10.512 1.433 8.114 21 HB2 PHE 4 2HB PHE 4 8.405 0.762 7.050 22 HB3 PHE 4 1HB PHE 4 8.502 2.513 7.151 23 HD1 PHE 4 2HD PHE 4 8.968 3.851 5.130 24 HD2 PHE 4 1HD PHE 4 8.344 -0.349 4.964 25 HE1 PHE 4 2HE PHE 4 8.589 4.006 2.702 26 HE2 PHE 4 1HE PHE 4 7.976 -0.201 2.545 27 HZ PHE 4 HZ PHE 4 8.086 1.968 1.410 28 H ASP 5 H ASP 5 10.254 -0.913 7.702 29 HA ASP 5 HA ASP 5 11.410 -1.756 5.143 30 HB2 ASP 5 2HB ASP 5 12.281 -3.797 6.235 31 HB3 ASP 5 1HB ASP 5 13.013 -2.330 6.865 32 H CYS 6 H CYS 6 9.917 -2.519 3.910 33 HA CYS 6 HA CYS 6 7.365 -3.226 4.444 34 HB2 CYS 6 2HB CYS 6 7.748 -4.705 2.303 35 HB3 CYS 6 1HB CYS 6 7.819 -2.943 2.226 36 H CYS 7 H CYS 7 6.236 -5.027 4.811 37 HA CYS 7 HA CYS 7 6.921 -7.162 6.287 38 HB2 CYS 7 2HB CYS 7 4.650 -6.458 5.329 39 HB3 CYS 7 1HB CYS 7 5.069 -7.423 3.926 40 H LEU 8 H LEU 8 8.366 -8.731 6.093 41 HA LEU 8 HA LEU 8 9.912 -9.046 3.740 42 HB2 LEU 8 2HB LEU 8 9.797 -10.823 6.178 43 HB3 LEU 8 1HB LEU 8 11.078 -10.801 4.979 44 HG LEU 8 HG LEU 8 10.387 -8.514 6.835 45 HD11 LEU 8 1HD1 LEU 8 11.377 -10.413 8.015 46 HD12 LEU 8 2HD1 LEU 8 12.491 -9.047 7.942 47 HD13 LEU 8 3HD1 LEU 8 12.719 -10.428 6.868 48 HD21 LEU 8 3HD2 LEU 8 11.285 -7.754 4.695 49 HD22 LEU 8 1HD2 LEU 8 12.658 -8.846 4.877 50 HD23 LEU 8 2HD2 LEU 8 12.449 -7.500 5.996 51 H GLY 9 H GLY 9 7.108 -10.667 4.975 52 HA2 GLY 9 2HA GLY 9 7.241 -12.542 2.696 53 HA3 GLY 9 1HA GLY 9 6.631 -13.033 4.273 54 H TYR 10 H TYR 10 5.383 -12.818 1.516 55 HA TYR 10 HA TYR 10 3.394 -10.732 1.962 56 HB2 TYR 10 2HB TYR 10 3.717 -12.600 -0.389 57 HB3 TYR 10 1HB TYR 10 2.626 -11.233 -0.300 58 HD1 TYR 10 2HD TYR 10 6.217 -12.135 -0.289 59 HD2 TYR 10 1HD TYR 10 3.315 -9.098 -1.018 60 HE1 TYR 10 2HE TYR 10 7.954 -10.728 -1.308 61 HE2 TYR 10 1HE TYR 10 5.049 -7.688 -2.036 62 HH TYR 10 HH TYR 10 8.095 -8.866 -2.928 63 H THR 11 H THR 11 1.110 -11.500 1.107 64 HA THR 11 HA THR 11 0.319 -13.795 2.741 65 HB THR 11 HB THR 11 -0.837 -11.582 3.012 66 HG1 THR 11 1HG THR 11 -2.155 -13.138 3.720 67 HG21 THR 11 3HG2 THR 11 -0.807 -10.896 0.650 68 HG22 THR 11 1HG2 THR 11 -2.440 -10.854 1.318 69 HG23 THR 11 2HG2 THR 11 -1.950 -12.183 0.267 70 H ASP 12 H ASP 12 -1.921 -14.719 1.547 71 HA ASP 12 HA ASP 12 -1.417 -15.151 -1.296 72 HB2 ASP 12 2HB ASP 12 -1.321 -17.509 -1.191 73 HB3 ASP 12 1HB ASP 12 -0.221 -16.951 0.063 74 H ARG 13 H ARG 13 -3.461 -13.925 0.578 75 HA ARG 13 HA ARG 13 -5.757 -15.704 0.407 76 HB2 ARG 13 2HB ARG 13 -5.804 -12.876 1.424 77 HB3 ARG 13 1HB ARG 13 -6.888 -14.202 1.827 78 HG2 ARG 13 2HG ARG 13 -4.075 -13.753 2.763 79 HG3 ARG 13 1HG ARG 13 -5.545 -13.897 3.722 80 HD2 ARG 13 2HD ARG 13 -4.187 -16.091 2.168 81 HD3 ARG 13 1HD ARG 13 -4.191 -15.903 3.917 82 HE ARG 13 HE ARG 13 -6.785 -16.108 3.492 83 HH11 ARG 13 1HH1 ARG 13 -4.151 -17.903 2.013 84 HH12 ARG 13 2HH1 ARG 13 -5.102 -19.350 1.788 85 HH21 ARG 13 1HH2 ARG 13 -8.033 -18.007 3.189 86 HH22 ARG 13 2HH2 ARG 13 -7.304 -19.407 2.467 87 H ILE 14 H ILE 14 -7.887 -14.376 0.090 88 HA ILE 14 HA ILE 14 -7.667 -12.454 -2.126 89 HB ILE 14 HB ILE 14 -9.821 -14.526 -1.651 90 HG12 ILE 14 2HG1 ILE 14 -7.646 -15.025 -2.990 91 HG13 ILE 14 1HG1 ILE 14 -9.199 -15.526 -3.649 92 HG21 ILE 14 1HG2 ILE 14 -10.921 -12.450 -2.181 93 HG22 ILE 14 2HG2 ILE 14 -11.014 -13.532 -3.570 94 HG23 ILE 14 3HG2 ILE 14 -9.852 -12.204 -3.565 95 HD11 ILE 14 3HD1 ILE 14 -7.839 -14.543 -5.376 96 HD12 ILE 14 1HD1 ILE 14 -7.640 -13.075 -4.418 97 HD13 ILE 14 2HD1 ILE 14 -9.231 -13.508 -5.044 98 H LEU 15 H LEU 15 -7.622 -10.699 -0.672 99 HA LEU 15 HA LEU 15 -9.872 -10.397 1.169 100 HB2 LEU 15 2HB LEU 15 -7.356 -8.769 0.772 101 HB3 LEU 15 1HB LEU 15 -8.668 -8.243 1.814 102 HG LEU 15 HG LEU 15 -7.108 -9.179 3.273 103 HD11 LEU 15 1HD1 LEU 15 -9.348 -10.020 3.712 104 HD12 LEU 15 2HD1 LEU 15 -8.131 -11.223 4.139 105 HD13 LEU 15 3HD1 LEU 15 -9.052 -11.395 2.647 106 HD21 LEU 15 3HD2 LEU 15 -5.689 -10.183 1.543 107 HD22 LEU 15 1HD2 LEU 15 -6.825 -11.526 1.405 108 HD23 LEU 15 2HD2 LEU 15 -5.943 -11.267 2.909 109 H HIS 16 H HIS 16 -10.892 -8.138 1.174 110 HA HIS 16 HA HIS 16 -11.238 -7.250 -1.609 111 HB2 HIS 16 2HB HIS 16 -13.438 -7.902 0.343 112 HB3 HIS 16 1HB HIS 16 -13.674 -7.113 -1.210 113 HD1 HIS 16 1HD HIS 16 -15.096 -9.670 -0.623 114 HD2 HIS 16 2HD HIS 16 -11.344 -9.533 -2.404 115 HE1 HIS 16 1HE HIS 16 -14.923 -11.744 -1.939 116 HE2 HIS 16 2HE HIS 16 -12.798 -11.520 -3.272 117 HA PRO 17 HA PRO 17 -11.749 -3.081 0.058 118 HB2 PRO 17 2HB PRO 17 -14.119 -2.398 -1.218 119 HB3 PRO 17 1HB PRO 17 -12.510 -2.192 -1.911 120 HG2 PRO 17 2HG PRO 17 -14.507 -4.357 -2.382 121 HG3 PRO 17 1HG PRO 17 -13.393 -3.586 -3.526 122 HD2 PRO 17 2HD PRO 17 -12.921 -6.034 -2.506 123 HD3 PRO 17 1HD PRO 17 -11.606 -4.884 -2.852 124 H LYS 18 H LYS 18 -14.220 -5.495 -0.107 125 HA LYS 18 HA LYS 18 -16.122 -4.830 1.739 126 HB2 LYS 18 2HB LYS 18 -14.733 -7.479 1.283 127 HB3 LYS 18 1HB LYS 18 -16.187 -7.326 2.241 128 HG2 LYS 18 2HG LYS 18 -17.346 -6.464 0.218 129 HG3 LYS 18 1HG LYS 18 -15.887 -6.803 -0.706 130 HD2 LYS 18 2HD LYS 18 -16.077 -9.122 -0.335 131 HD3 LYS 18 1HD LYS 18 -17.264 -8.899 0.951 132 HE2 LYS 18 2HE LYS 18 -17.722 -8.218 -1.948 133 HE3 LYS 18 1HE LYS 18 -18.253 -9.708 -1.173 134 HZ1 LYS 18 3HZ LYS 18 -19.622 -8.424 0.325 135 HZ2 LYS 18 1HZ LYS 18 -20.026 -8.054 -1.279 136 HZ3 LYS 18 2HZ LYS 18 -19.087 -6.972 -0.370 137 H PHE 19 H PHE 19 -12.773 -5.684 2.294 138 HA PHE 19 HA PHE 19 -13.258 -5.720 5.199 139 HB2 PHE 19 2HB PHE 19 -11.202 -7.302 3.646 140 HB3 PHE 19 1HB PHE 19 -11.444 -7.361 5.388 141 HD1 PHE 19 1HD PHE 19 -13.443 -8.438 6.316 142 HD2 PHE 19 2HD PHE 19 -12.632 -8.485 2.143 143 HE1 PHE 19 1HE PHE 19 -15.059 -10.271 6.024 144 HE2 PHE 19 2HE PHE 19 -14.251 -10.312 1.841 145 HZ PHE 19 HZ PHE 19 -15.466 -11.209 3.787 146 H ILE 20 H ILE 20 -11.944 -3.855 2.851 147 HA ILE 20 HA ILE 20 -9.468 -3.304 4.337 148 HB ILE 20 HB ILE 20 -10.175 -2.899 1.438 149 HG12 ILE 20 2HG1 ILE 20 -7.633 -4.075 2.484 150 HG13 ILE 20 1HG1 ILE 20 -9.109 -5.032 2.600 151 HG21 ILE 20 1HG2 ILE 20 -9.113 -0.829 2.165 152 HG22 ILE 20 2HG2 ILE 20 -8.011 -1.756 1.150 153 HG23 ILE 20 3HG2 ILE 20 -7.797 -1.743 2.901 154 HD11 ILE 20 3HD1 ILE 20 -7.937 -3.881 0.084 155 HD12 ILE 20 1HD1 ILE 20 -9.391 -4.872 0.194 156 HD13 ILE 20 2HD1 ILE 20 -7.823 -5.560 0.615 157 H VAL 21 H VAL 21 -9.473 -1.597 5.598 158 HA VAL 21 HA VAL 21 -11.140 0.711 4.849 159 HB VAL 21 HB VAL 21 -11.081 1.340 7.270 160 HG11 VAL 21 1HG1 VAL 21 -12.754 -0.338 7.969 161 HG12 VAL 21 2HG1 VAL 21 -12.319 -1.325 6.572 162 HG13 VAL 21 3HG1 VAL 21 -13.036 0.270 6.337 163 HG21 VAL 21 3HG2 VAL 21 -10.474 -0.347 8.923 164 HG22 VAL 21 1HG2 VAL 21 -9.087 0.063 7.914 165 HG23 VAL 21 2HG2 VAL 21 -9.961 -1.445 7.641 166 H GLY 22 H GLY 22 -8.031 -0.400 4.985 167 HA2 GLY 22 2HA GLY 22 -6.965 2.289 4.674 168 HA3 GLY 22 1HA GLY 22 -6.289 1.340 5.994 169 H PHE 23 H PHE 23 -4.954 2.325 3.581 170 HA PHE 23 HA PHE 23 -3.827 -0.207 2.657 171 HB2 PHE 23 2HB PHE 23 -5.252 -0.100 0.927 172 HB3 PHE 23 1HB PHE 23 -5.506 1.634 1.085 173 HD1 PHE 23 2HD PHE 23 -3.100 -0.907 -0.074 174 HD2 PHE 23 1HD PHE 23 -4.432 3.103 -0.258 175 HE1 PHE 23 2HE PHE 23 -1.615 -0.522 -1.988 176 HE2 PHE 23 1HE PHE 23 -2.956 3.511 -2.192 177 HZ PHE 23 HZ PHE 23 -1.545 1.670 -3.017 178 H THR 24 H THR 24 -1.740 -0.091 2.534 179 HA THR 24 HA THR 24 -0.474 2.529 2.147 180 HB THR 24 HB THR 24 0.513 0.429 4.092 181 HG1 THR 24 1HG THR 24 -0.668 2.989 4.607 182 HG21 THR 24 3HG2 THR 24 2.123 2.119 4.786 183 HG22 THR 24 1HG2 THR 24 1.472 3.254 3.600 184 HG23 THR 24 2HG2 THR 24 2.299 1.791 3.063 185 H ARG 25 H ARG 25 0.999 2.504 0.511 186 HA ARG 25 HA ARG 25 1.684 -0.128 -0.583 187 HB2 ARG 25 2HB ARG 25 2.315 1.108 -2.638 188 HB3 ARG 25 1HB ARG 25 0.634 1.344 -2.169 189 HG2 ARG 25 2HG ARG 25 0.990 3.543 -1.515 190 HG3 ARG 25 1HG ARG 25 2.732 3.313 -1.348 191 HD2 ARG 25 2HD ARG 25 2.308 4.636 -3.307 192 HD3 ARG 25 1HD ARG 25 2.887 3.048 -3.804 193 HE ARG 25 HE ARG 25 0.026 3.225 -3.742 194 HH11 ARG 25 1HH1 ARG 25 2.876 3.930 -5.658 195 HH12 ARG 25 2HH1 ARG 25 2.014 3.867 -7.171 196 HH21 ARG 25 1HH2 ARG 25 -1.099 3.182 -5.754 197 HH22 ARG 25 2HH2 ARG 25 -0.215 3.449 -7.226 198 H GLN 26 H GLN 26 3.457 -0.895 0.399 199 HA GLN 26 HA GLN 26 5.699 0.782 1.058 200 HB2 GLN 26 2HB GLN 26 5.206 -2.176 1.159 201 HB3 GLN 26 1HB GLN 26 6.814 -1.513 1.437 202 HG2 GLN 26 2HG GLN 26 6.113 -0.360 3.355 203 HG3 GLN 26 1HG GLN 26 4.419 -0.605 2.970 204 HE21 GLN 26 1HE2 GLN 26 4.803 -3.351 2.172 205 HE22 GLN 26 2HE2 GLN 26 5.067 -4.252 3.614 206 H LEU 27 H LEU 27 7.400 1.235 -0.134 207 HA LEU 27 HA LEU 27 7.501 0.039 -2.816 208 HB2 LEU 27 2HB LEU 27 8.124 2.866 -2.000 209 HB3 LEU 27 1HB LEU 27 8.166 2.229 -3.631 210 HG LEU 27 HG LEU 27 5.652 2.328 -1.977 211 HD11 LEU 27 1HD1 LEU 27 6.470 4.588 -2.253 212 HD12 LEU 27 2HD1 LEU 27 5.065 4.319 -3.284 213 HD13 LEU 27 3HD1 LEU 27 6.684 4.324 -3.984 214 HD21 LEU 27 3HD2 LEU 27 4.580 2.133 -4.195 215 HD22 LEU 27 1HD2 LEU 27 5.576 0.736 -3.783 216 HD23 LEU 27 2HD2 LEU 27 6.179 1.943 -4.918 217 H ALA 28 H ALA 28 9.474 -0.449 -3.677 218 HA ALA 28 HA ALA 28 11.807 -0.491 -2.023 219 HB1 ALA 28 1HB ALA 28 11.344 -2.213 -3.730 220 HB2 ALA 28 2HB ALA 28 12.917 -1.447 -3.953 221 HB3 ALA 28 3HB ALA 28 11.561 -0.997 -4.988 222 H ASN 29 H ASN 29 11.492 1.941 -1.688 223 HA ASN 29 HA ASN 29 13.068 3.397 -3.680 224 HB2 ASN 29 2HB ASN 29 10.351 4.175 -2.644 225 HB3 ASN 29 1HB ASN 29 11.476 5.386 -3.249 226 HD21 ASN 29 1HD2 ASN 29 9.493 2.631 -4.100 227 HD22 ASN 29 2HD2 ASN 29 9.538 2.891 -5.807 228 H GLU 30 H GLU 30 11.418 4.086 -0.578 229 HA GLU 30 HA GLU 30 13.885 5.447 0.231 230 HB2 GLU 30 2HB GLU 30 12.420 6.618 1.904 231 HB3 GLU 30 1HB GLU 30 12.079 6.977 0.217 232 HG2 GLU 30 2HG GLU 30 10.195 5.386 0.292 233 HG3 GLU 30 1HG GLU 30 10.518 5.121 2.006 234 H GLY 31 H GLY 31 14.108 2.796 0.491 235 HA2 GLY 31 2HA GLY 31 15.356 2.177 2.618 236 HA3 GLY 31 1HA GLY 31 13.796 2.383 3.396 237 H CYS 32 H CYS 32 12.019 1.106 2.011 238 HA CYS 32 HA CYS 32 12.521 -1.603 2.495 239 HB2 CYS 32 2HB CYS 32 10.280 -1.083 2.597 240 HB3 CYS 32 1HB CYS 32 10.304 -0.086 1.149 241 H ASP 33 H ASP 33 13.138 -3.280 1.239 242 HA ASP 33 HA ASP 33 14.561 -2.581 -1.197 243 HB2 ASP 33 2HB ASP 33 14.416 -5.202 0.312 244 HB3 ASP 33 1HB ASP 33 15.461 -4.887 -1.068 245 H ILE 34 H ILE 34 11.730 -4.351 -0.230 246 HA ILE 34 HA ILE 34 11.339 -5.251 -3.001 247 HB ILE 34 HB ILE 34 9.738 -6.863 -2.160 248 HG12 ILE 34 2HG1 ILE 34 10.315 -5.831 0.635 249 HG13 ILE 34 1HG1 ILE 34 8.848 -5.475 -0.273 250 HG21 ILE 34 1HG2 ILE 34 12.274 -6.869 -0.538 251 HG22 ILE 34 2HG2 ILE 34 12.063 -7.543 -2.156 252 HG23 ILE 34 3HG2 ILE 34 11.221 -8.261 -0.779 253 HD11 ILE 34 3HD1 ILE 34 8.527 -7.252 1.369 254 HD12 ILE 34 1HD1 ILE 34 9.769 -8.213 0.566 255 HD13 ILE 34 2HD1 ILE 34 8.269 -7.831 -0.279 256 H ASN 35 H ASN 35 8.450 -5.550 -2.599 257 HA ASN 35 HA ASN 35 7.508 -3.019 -1.627 258 HB2 ASN 35 2HB ASN 35 6.155 -2.590 -3.762 259 HB3 ASN 35 1HB ASN 35 7.863 -2.184 -3.805 260 HD21 ASN 35 1HD2 ASN 35 9.240 -3.355 -5.088 261 HD22 ASN 35 2HD2 ASN 35 8.680 -4.446 -6.306 262 H ALA 36 H ALA 36 5.776 -3.373 -0.529 263 HA ALA 36 HA ALA 36 4.041 -5.634 -1.258 264 HB1 ALA 36 1HB ALA 36 3.845 -6.300 1.083 265 HB2 ALA 36 2HB ALA 36 5.019 -5.063 1.538 266 HB3 ALA 36 3HB ALA 36 5.514 -6.421 0.525 267 H ILE 37 H ILE 37 1.996 -5.142 -1.282 268 HA ILE 37 HA ILE 37 1.085 -2.525 -0.481 269 HB ILE 37 HB ILE 37 -0.395 -4.886 -1.657 270 HG12 ILE 37 2HG1 ILE 37 1.255 -3.977 -3.199 271 HG13 ILE 37 1HG1 ILE 37 -0.362 -3.554 -3.748 272 HG21 ILE 37 1HG2 ILE 37 -1.321 -2.063 -1.180 273 HG22 ILE 37 2HG2 ILE 37 -1.938 -3.529 -0.425 274 HG23 ILE 37 3HG2 ILE 37 -2.190 -3.253 -2.147 275 HD11 ILE 37 3HD1 ILE 37 1.188 -1.699 -4.007 276 HD12 ILE 37 1HD1 ILE 37 1.536 -1.736 -2.279 277 HD13 ILE 37 2HD1 ILE 37 -0.079 -1.306 -2.843 278 H ILE 38 H ILE 38 0.608 -2.180 1.636 279 HA ILE 38 HA ILE 38 -0.348 -4.436 3.218 280 HB ILE 38 HB ILE 38 0.243 -1.613 4.127 281 HG12 ILE 38 2HG1 ILE 38 1.844 -4.167 4.378 282 HG13 ILE 38 1HG1 ILE 38 2.288 -2.742 3.442 283 HG21 ILE 38 1HG2 ILE 38 -1.428 -2.741 5.515 284 HG22 ILE 38 2HG2 ILE 38 0.093 -2.539 6.387 285 HG23 ILE 38 3HG2 ILE 38 -0.337 -4.113 5.716 286 HD11 ILE 38 3HD1 ILE 38 2.041 -2.904 6.439 287 HD12 ILE 38 1HD1 ILE 38 2.436 -1.449 5.522 288 HD13 ILE 38 2HD1 ILE 38 3.538 -2.826 5.509 289 H PHE 39 H PHE 39 -2.419 -4.842 2.774 290 HA PHE 39 HA PHE 39 -4.360 -2.672 2.801 291 HB2 PHE 39 2HB PHE 39 -4.658 -5.658 2.463 292 HB3 PHE 39 1HB PHE 39 -6.035 -4.570 2.605 293 HD1 PHE 39 1HD PHE 39 -5.131 -2.269 0.955 294 HD2 PHE 39 2HD PHE 39 -4.782 -6.467 0.309 295 HE1 PHE 39 1HE PHE 39 -5.110 -1.889 -1.489 296 HE2 PHE 39 2HE PHE 39 -4.750 -6.092 -2.113 297 HZ PHE 39 HZ PHE 39 -4.913 -3.820 -3.006 298 H HIS 40 H HIS 40 -4.998 -1.889 4.652 299 HA HIS 40 HA HIS 40 -4.677 -3.457 7.085 300 HB2 HIS 40 2HB HIS 40 -5.710 -0.619 6.858 301 HB3 HIS 40 1HB HIS 40 -5.081 -1.419 8.293 302 HD1 HIS 40 1HD HIS 40 -2.656 -0.996 8.800 303 HD2 HIS 40 2HD HIS 40 -3.627 -0.220 4.834 304 HE1 HIS 40 1HE HIS 40 -0.606 0.067 7.764 305 HE2 HIS 40 2HE HIS 40 -1.331 0.773 5.479 306 H THR 41 H THR 41 -6.281 -4.838 7.464 307 HA THR 41 HA THR 41 -8.850 -4.450 6.289 308 HB THR 41 HB THR 41 -9.470 -6.571 7.413 309 HG1 THR 41 1HG THR 41 -6.752 -6.596 8.289 310 HG21 THR 41 3HG2 THR 41 -8.451 -6.590 5.174 311 HG22 THR 41 1HG2 THR 41 -7.970 -8.003 6.115 312 HG23 THR 41 2HG2 THR 41 -6.848 -6.659 5.910 313 H LYS 42 H LYS 42 -10.839 -4.439 7.350 314 HA LYS 42 HA LYS 42 -11.156 -2.750 9.561 315 HB2 LYS 42 2HB LYS 42 -12.841 -3.582 7.735 316 HB3 LYS 42 1HB LYS 42 -13.122 -4.914 8.843 317 HG2 LYS 42 2HG LYS 42 -13.415 -2.049 9.685 318 HG3 LYS 42 1HG LYS 42 -14.726 -2.953 8.931 319 HD2 LYS 42 2HD LYS 42 -14.539 -4.638 10.744 320 HD3 LYS 42 1HD LYS 42 -13.312 -3.626 11.509 321 HE2 LYS 42 2HE LYS 42 -15.378 -3.165 12.585 322 HE3 LYS 42 1HE LYS 42 -15.003 -1.777 11.567 323 HZ1 LYS 42 3HZ LYS 42 -16.507 -2.738 9.873 324 HZ2 LYS 42 1HZ LYS 42 -17.296 -2.318 11.312 325 HZ3 LYS 42 2HZ LYS 42 -16.947 -3.942 10.982 326 H LYS 43 H LYS 43 -10.270 -6.022 9.255 327 HA LYS 43 HA LYS 43 -11.042 -6.807 11.905 328 HB2 LYS 43 2HB LYS 43 -11.071 -8.333 9.888 329 HB3 LYS 43 1HB LYS 43 -9.316 -8.320 9.943 330 HG2 LYS 43 2HG LYS 43 -9.317 -9.410 12.081 331 HG3 LYS 43 1HG LYS 43 -11.075 -9.283 12.193 332 HD2 LYS 43 2HD LYS 43 -11.312 -10.730 10.243 333 HD3 LYS 43 1HD LYS 43 -9.557 -10.837 10.099 334 HE2 LYS 43 2HE LYS 43 -9.428 -11.909 12.278 335 HE3 LYS 43 1HE LYS 43 -11.173 -11.761 12.468 336 HZ1 LYS 43 3HZ LYS 43 -9.870 -13.292 10.287 337 HZ2 LYS 43 1HZ LYS 43 -11.519 -13.271 10.668 338 HZ3 LYS 43 2HZ LYS 43 -10.408 -13.988 11.731 339 H LYS 44 H LYS 44 -8.850 -4.746 10.994 340 HA LYS 44 HA LYS 44 -7.203 -3.718 12.166 341 HB2 LYS 44 2HB LYS 44 -7.405 -6.074 14.038 342 HB3 LYS 44 1HB LYS 44 -6.322 -4.714 14.290 343 HG2 LYS 44 2HG LYS 44 -9.322 -4.501 14.094 344 HG3 LYS 44 1HG LYS 44 -8.398 -4.564 15.598 345 HD2 LYS 44 2HD LYS 44 -7.238 -2.510 14.992 346 HD3 LYS 44 1HD LYS 44 -8.105 -2.459 13.457 347 HE2 LYS 44 2HE LYS 44 -10.217 -2.223 14.635 348 HE3 LYS 44 1HE LYS 44 -9.384 -2.337 16.184 349 HZ1 LYS 44 3HZ LYS 44 -9.944 -0.040 15.474 350 HZ2 LYS 44 1HZ LYS 44 -8.854 -0.205 14.183 351 HZ3 LYS 44 2HZ LYS 44 -8.298 -0.275 15.786 352 H LEU 45 H LEU 45 -6.903 -6.898 10.982 353 HA LEU 45 HA LEU 45 -4.079 -7.152 11.297 354 HB2 LEU 45 2HB LEU 45 -6.009 -8.611 9.496 355 HB3 LEU 45 1HB LEU 45 -4.321 -9.040 9.691 356 HG LEU 45 HG LEU 45 -6.446 -9.126 11.833 357 HD11 LEU 45 1HD1 LEU 45 -4.921 -11.327 10.452 358 HD12 LEU 45 2HD1 LEU 45 -6.615 -10.916 10.185 359 HD13 LEU 45 3HD1 LEU 45 -6.093 -11.532 11.753 360 HD21 LEU 45 3HD2 LEU 45 -4.724 -10.103 13.257 361 HD22 LEU 45 1HD2 LEU 45 -4.283 -8.468 12.764 362 HD23 LEU 45 2HD2 LEU 45 -3.520 -9.858 11.990 363 H SER 46 H SER 46 -2.526 -6.274 10.141 364 HA SER 46 HA SER 46 -3.121 -4.876 7.677 365 HB2 SER 46 2HB SER 46 -0.561 -4.420 7.890 366 HB3 SER 46 1HB SER 46 -1.660 -3.655 9.041 367 HG SER 46 HG SER 46 0.374 -5.132 9.640 368 H VAL 47 H VAL 47 -3.301 -6.113 5.931 369 HA VAL 47 HA VAL 47 -1.978 -8.672 5.784 370 HB VAL 47 HB VAL 47 -3.791 -7.306 3.787 371 HG11 VAL 47 1HG1 VAL 47 -4.074 -9.562 2.835 372 HG12 VAL 47 2HG1 VAL 47 -2.833 -10.159 3.937 373 HG13 VAL 47 3HG1 VAL 47 -2.417 -8.973 2.701 374 HG21 VAL 47 3HG2 VAL 47 -5.520 -8.837 4.645 375 HG22 VAL 47 1HG2 VAL 47 -4.938 -7.726 5.884 376 HG23 VAL 47 2HG2 VAL 47 -4.387 -9.402 5.874 377 H CYS 48 H CYS 48 -0.151 -9.125 4.690 378 HA CYS 48 HA CYS 48 1.164 -6.990 3.240 379 HB2 CYS 48 2HB CYS 48 2.165 -9.821 3.575 380 HB3 CYS 48 1HB CYS 48 3.107 -8.372 3.233 381 H ALA 49 H ALA 49 -0.424 -6.857 1.604 382 HA ALA 49 HA ALA 49 -1.198 -9.087 0.035 383 HB1 ALA 49 1HB ALA 49 -2.284 -7.359 -1.383 384 HB2 ALA 49 2HB ALA 49 -1.506 -6.114 -0.400 385 HB3 ALA 49 3HB ALA 49 -2.681 -7.208 0.329 386 H ASN 50 H ASN 50 -0.535 -9.759 -1.927 387 HA ASN 50 HA ASN 50 2.172 -9.056 -2.650 388 HB2 ASN 50 2HB ASN 50 0.263 -10.956 -4.038 389 HB3 ASN 50 1HB ASN 50 1.981 -10.812 -4.353 390 HD21 ASN 50 1HD2 ASN 50 0.492 -10.839 -1.157 391 HD22 ASN 50 2HD2 ASN 50 1.133 -12.382 -0.699 392 HA PRO 51 HA PRO 51 0.750 -6.171 -5.801 393 HB2 PRO 51 2HB PRO 51 3.565 -6.211 -6.630 394 HB3 PRO 51 1HB PRO 51 2.576 -4.851 -6.088 395 HG2 PRO 51 2HG PRO 51 4.541 -5.861 -4.563 396 HG3 PRO 51 1HG PRO 51 3.044 -5.224 -3.862 397 HD2 PRO 51 2HD PRO 51 3.847 -8.073 -4.341 398 HD3 PRO 51 1HD PRO 51 3.030 -7.354 -2.923 399 H LYS 52 H LYS 52 1.247 -9.244 -6.002 400 HA LYS 52 HA LYS 52 1.931 -9.491 -8.851 401 HB2 LYS 52 2HB LYS 52 2.065 -11.354 -6.498 402 HB3 LYS 52 1HB LYS 52 2.127 -11.965 -8.148 403 HG2 LYS 52 2HG LYS 52 4.249 -11.041 -6.561 404 HG3 LYS 52 1HG LYS 52 4.296 -11.568 -8.238 405 HD2 LYS 52 2HD LYS 52 3.870 -9.277 -8.971 406 HD3 LYS 52 1HD LYS 52 3.802 -8.748 -7.287 407 HE2 LYS 52 2HE LYS 52 5.973 -8.229 -8.172 408 HE3 LYS 52 1HE LYS 52 6.141 -9.545 -7.013 409 HZ1 LYS 52 3HZ LYS 52 7.443 -9.971 -8.990 410 HZ2 LYS 52 1HZ LYS 52 6.072 -9.812 -9.970 411 HZ3 LYS 52 2HZ LYS 52 6.188 -11.107 -8.876 412 H GLN 53 H GLN 53 -0.686 -9.661 -6.699 413 HA GLN 53 HA GLN 53 -2.071 -11.714 -8.277 414 HB2 GLN 53 2HB GLN 53 -3.568 -11.702 -6.130 415 HB3 GLN 53 1HB GLN 53 -2.015 -12.531 -6.117 416 HG2 GLN 53 2HG GLN 53 -1.040 -10.398 -5.186 417 HG3 GLN 53 1HG GLN 53 -2.694 -9.854 -4.957 418 HE21 GLN 53 1HE2 GLN 53 -2.403 -9.716 -2.740 419 HE22 GLN 53 2HE2 GLN 53 -2.331 -11.133 -1.746 420 H THR 54 H THR 54 -4.109 -11.389 -9.034 421 HA THR 54 HA THR 54 -4.557 -8.776 -9.971 422 HB THR 54 HB THR 54 -6.808 -9.834 -10.735 423 HG1 THR 54 1HG THR 54 -6.782 -12.084 -10.721 424 HG21 THR 54 3HG2 THR 54 -5.649 -10.916 -12.616 425 HG22 THR 54 1HG2 THR 54 -4.131 -10.826 -11.715 426 HG23 THR 54 2HG2 THR 54 -4.950 -9.346 -12.219 427 H TRP 55 H TRP 55 -6.176 -10.601 -7.377 428 HA TRP 55 HA TRP 55 -8.266 -8.782 -6.999 429 HB2 TRP 55 2HB TRP 55 -8.683 -9.770 -4.904 430 HB3 TRP 55 1HB TRP 55 -8.129 -11.054 -5.963 431 HD1 TRP 55 HD TRP 55 -5.807 -12.147 -5.351 432 HE1 TRP 55 1HE TRP 55 -4.380 -12.128 -3.271 433 HE3 TRP 55 3HE TRP 55 -7.993 -8.324 -3.103 434 HZ2 TRP 55 2HZ TRP 55 -4.211 -10.582 -0.872 435 HZ3 TRP 55 3HZ TRP 55 -7.203 -7.599 -1.004 436 HH2 TRP 55 HH TRP 55 -5.376 -8.672 0.154 437 H VAL 56 H VAL 56 -4.974 -8.754 -5.959 438 HA VAL 56 HA VAL 56 -5.204 -6.425 -4.330 439 HB VAL 56 HB VAL 56 -2.916 -7.982 -5.480 440 HG11 VAL 56 1HG1 VAL 56 -2.696 -5.323 -4.089 441 HG12 VAL 56 2HG1 VAL 56 -2.244 -5.673 -5.758 442 HG13 VAL 56 3HG1 VAL 56 -1.353 -6.415 -4.427 443 HG21 VAL 56 3HG2 VAL 56 -2.339 -8.211 -3.123 444 HG22 VAL 56 1HG2 VAL 56 -3.990 -8.746 -3.432 445 HG23 VAL 56 2HG2 VAL 56 -3.697 -7.174 -2.688 446 H LYS 57 H LYS 57 -4.008 -7.054 -7.616 447 HA LYS 57 HA LYS 57 -3.323 -4.457 -8.319 448 HB2 LYS 57 2HB LYS 57 -4.462 -6.602 -10.131 449 HB3 LYS 57 1HB LYS 57 -3.589 -5.169 -10.663 450 HG2 LYS 57 2HG LYS 57 -1.610 -5.970 -9.397 451 HG3 LYS 57 1HG LYS 57 -2.499 -7.450 -9.030 452 HD2 LYS 57 2HD LYS 57 -2.708 -7.899 -11.448 453 HD3 LYS 57 1HD LYS 57 -1.756 -6.446 -11.780 454 HE2 LYS 57 2HE LYS 57 0.106 -7.419 -10.461 455 HE3 LYS 57 1HE LYS 57 -0.849 -8.884 -10.250 456 HZ1 LYS 57 3HZ LYS 57 0.149 -7.793 -12.831 457 HZ2 LYS 57 1HZ LYS 57 -0.834 -9.171 -12.675 458 HZ3 LYS 57 2HZ LYS 57 0.728 -9.167 -12.025 459 H TYR 58 H TYR 58 -6.441 -6.079 -8.397 460 HA TYR 58 HA TYR 58 -7.879 -4.009 -9.628 461 HB2 TYR 58 2HB TYR 58 -8.960 -6.086 -9.605 462 HB3 TYR 58 1HB TYR 58 -8.642 -6.342 -7.891 463 HD1 TYR 58 2HD TYR 58 -10.463 -3.947 -10.110 464 HD2 TYR 58 1HD TYR 58 -10.395 -6.076 -6.428 465 HE1 TYR 58 2HE TYR 58 -12.676 -3.039 -9.559 466 HE2 TYR 58 1HE TYR 58 -12.612 -5.188 -5.867 467 HH TYR 58 HH TYR 58 -14.030 -3.224 -6.464 468 H ILE 59 H ILE 59 -7.627 -4.902 -6.166 469 HA ILE 59 HA ILE 59 -9.204 -2.793 -5.240 470 HB ILE 59 HB ILE 59 -7.020 -4.269 -3.770 471 HG12 ILE 59 2HG1 ILE 59 -10.021 -4.651 -3.795 472 HG13 ILE 59 1HG1 ILE 59 -8.864 -5.677 -4.624 473 HG21 ILE 59 1HG2 ILE 59 -7.503 -2.168 -2.668 474 HG22 ILE 59 2HG2 ILE 59 -8.180 -3.500 -1.732 475 HG23 ILE 59 3HG2 ILE 59 -9.233 -2.501 -2.733 476 HD11 ILE 59 3HD1 ILE 59 -9.664 -6.647 -2.532 477 HD12 ILE 59 1HD1 ILE 59 -8.976 -5.281 -1.652 478 HD13 ILE 59 2HD1 ILE 59 -7.920 -6.387 -2.538 479 H VAL 60 H VAL 60 -5.644 -2.991 -5.530 480 HA VAL 60 HA VAL 60 -5.186 -0.458 -4.334 481 HB VAL 60 HB VAL 60 -3.401 -2.135 -4.461 482 HG11 VAL 60 1HG1 VAL 60 -2.197 -2.559 -6.534 483 HG12 VAL 60 2HG1 VAL 60 -3.318 -1.524 -7.418 484 HG13 VAL 60 3HG1 VAL 60 -3.890 -3.027 -6.692 485 HG21 VAL 60 3HG2 VAL 60 -1.573 -0.618 -5.173 486 HG22 VAL 60 1HG2 VAL 60 -2.757 0.148 -4.113 487 HG23 VAL 60 2HG2 VAL 60 -2.786 0.470 -5.847 488 H ARG 61 H ARG 61 -5.855 -1.439 -7.644 489 HA ARG 61 HA ARG 61 -5.211 1.010 -8.899 490 HB2 ARG 61 2HB ARG 61 -5.520 -0.848 -10.318 491 HB3 ARG 61 1HB ARG 61 -7.071 -1.252 -9.596 492 HG2 ARG 61 2HG ARG 61 -8.119 0.625 -10.663 493 HG3 ARG 61 1HG ARG 61 -6.562 1.216 -11.247 494 HD2 ARG 61 2HD ARG 61 -8.078 -0.079 -12.878 495 HD3 ARG 61 1HD ARG 61 -6.365 -0.487 -12.819 496 HE ARG 61 HE ARG 61 -6.911 -2.486 -11.663 497 HH11 ARG 61 1HH1 ARG 61 -9.732 -0.702 -12.761 498 HH12 ARG 61 2HH1 ARG 61 -10.797 -2.071 -12.620 499 HH21 ARG 61 1HH2 ARG 61 -8.296 -4.284 -11.542 500 HH22 ARG 61 2HH2 ARG 61 -9.975 -4.109 -11.942 501 H LEU 62 H LEU 62 -8.161 -0.172 -7.359 502 HA LEU 62 HA LEU 62 -9.654 2.204 -7.997 503 HB2 LEU 62 2HB LEU 62 -10.206 -0.256 -6.379 504 HB3 LEU 62 1HB LEU 62 -11.263 1.134 -6.247 505 HG LEU 62 HG LEU 62 -12.187 -0.479 -7.792 506 HD11 LEU 62 1HD1 LEU 62 -12.602 1.876 -8.229 507 HD12 LEU 62 2HD1 LEU 62 -12.512 0.959 -9.733 508 HD13 LEU 62 3HD1 LEU 62 -11.149 1.956 -9.225 509 HD21 LEU 62 3HD2 LEU 62 -9.644 -0.132 -9.375 510 HD22 LEU 62 1HD2 LEU 62 -11.078 -1.003 -9.920 511 HD23 LEU 62 2HD2 LEU 62 -10.163 -1.589 -8.530 512 H LEU 63 H LEU 63 -7.778 1.028 -5.309 513 HA LEU 63 HA LEU 63 -8.614 2.983 -3.424 514 HB2 LEU 63 2HB LEU 63 -6.271 1.139 -3.561 515 HB3 LEU 63 1HB LEU 63 -6.429 2.328 -2.276 516 HG LEU 63 HG LEU 63 -8.322 0.057 -2.888 517 HD11 LEU 63 1HD1 LEU 63 -7.670 -0.710 -0.652 518 HD12 LEU 63 2HD1 LEU 63 -6.502 0.610 -0.560 519 HD13 LEU 63 3HD1 LEU 63 -6.314 -0.649 -1.776 520 HD21 LEU 63 3HD2 LEU 63 -9.582 2.015 -2.182 521 HD22 LEU 63 1HD2 LEU 63 -8.526 2.210 -0.784 522 HD23 LEU 63 2HD2 LEU 63 -9.569 0.793 -0.914 523 H SER 64 H SER 64 -5.858 2.733 -5.604 524 HA SER 64 HA SER 64 -4.705 5.184 -4.632 525 HB2 SER 64 2HB SER 64 -3.358 3.205 -5.392 526 HB3 SER 64 1HB SER 64 -3.871 3.557 -7.038 527 HG SER 64 HG SER 64 -2.969 5.817 -6.127 528 H LYS 65 H LYS 65 -6.355 4.131 -7.606 529 HA LYS 65 HA LYS 65 -6.260 6.909 -8.525 530 HB2 LYS 65 2HB LYS 65 -5.567 5.045 -10.081 531 HB3 LYS 65 1HB LYS 65 -7.242 4.513 -10.077 532 HG2 LYS 65 2HG LYS 65 -7.225 5.777 -11.973 533 HG3 LYS 65 1HG LYS 65 -7.695 7.003 -10.799 534 HD2 LYS 65 2HD LYS 65 -4.866 6.522 -11.737 535 HD3 LYS 65 1HD LYS 65 -5.942 7.749 -12.398 536 HE2 LYS 65 2HE LYS 65 -4.923 7.589 -9.563 537 HE3 LYS 65 1HE LYS 65 -4.422 8.741 -10.792 538 HZ1 LYS 65 3HZ LYS 65 -6.400 9.881 -10.682 539 HZ2 LYS 65 1HZ LYS 65 -6.166 9.447 -9.058 540 HZ3 LYS 65 2HZ LYS 65 -7.253 8.578 -10.020 541 H LYS 66 H LYS 66 -7.772 7.886 -7.310 542 HA LYS 66 HA LYS 66 -10.400 6.730 -6.998 543 HB2 LYS 66 2HB LYS 66 -9.354 9.428 -6.137 544 HB3 LYS 66 1HB LYS 66 -10.886 8.714 -5.649 545 HG2 LYS 66 2HG LYS 66 -9.652 6.880 -4.556 546 HG3 LYS 66 1HG LYS 66 -8.135 7.677 -4.985 547 HD2 LYS 66 2HD LYS 66 -8.868 9.662 -3.698 548 HD3 LYS 66 1HD LYS 66 -10.320 8.784 -3.218 549 HE2 LYS 66 2HE LYS 66 -7.464 8.072 -2.555 550 HE3 LYS 66 1HE LYS 66 -8.696 8.669 -1.445 551 HZ1 LYS 66 3HZ LYS 66 -9.987 6.609 -2.069 552 HZ2 LYS 66 1HZ LYS 66 -8.602 6.372 -1.115 553 HZ3 LYS 66 2HZ LYS 66 -8.561 6.035 -2.777 554 H VAL 67 H VAL 67 -10.954 6.675 -9.251 555 HA VAL 67 HA VAL 67 -11.563 9.210 -10.541 556 HB VAL 67 HB VAL 67 -12.407 6.466 -11.470 557 HG11 VAL 67 1HG1 VAL 67 -11.867 9.044 -12.935 558 HG12 VAL 67 2HG1 VAL 67 -13.444 8.303 -12.649 559 HG13 VAL 67 3HG1 VAL 67 -12.270 7.508 -13.701 560 HG21 VAL 67 3HG2 VAL 67 -10.331 6.345 -12.769 561 HG22 VAL 67 1HG2 VAL 67 -10.011 6.376 -11.034 562 HG23 VAL 67 2HG2 VAL 67 -9.770 7.831 -12.003 563 H LYS 68 H LYS 68 -12.806 7.597 -8.097 564 HA LYS 68 HA LYS 68 -15.635 7.868 -8.758 565 HB2 LYS 68 2HB LYS 68 -14.198 6.625 -6.408 566 HB3 LYS 68 1HB LYS 68 -15.939 6.825 -6.456 567 HG2 LYS 68 2HG LYS 68 -15.463 4.593 -7.055 568 HG3 LYS 68 1HG LYS 68 -15.956 5.427 -8.528 569 HD2 LYS 68 2HD LYS 68 -14.054 4.000 -8.992 570 HD3 LYS 68 1HD LYS 68 -13.579 5.693 -9.142 571 HE2 LYS 68 2HE LYS 68 -11.852 4.462 -7.985 572 HE3 LYS 68 1HE LYS 68 -12.614 5.591 -6.871 573 HZ1 LYS 68 3HZ LYS 68 -12.215 3.331 -5.954 574 HZ2 LYS 68 1HZ LYS 68 -13.355 2.723 -7.050 575 HZ3 LYS 68 2HZ LYS 68 -13.831 3.831 -5.862 576 H ASN 69 H ASN 69 -13.674 10.101 -8.255 577 HA ASN 69 HA ASN 69 -14.317 11.316 -5.769 578 HB2 ASN 69 2HB ASN 69 -13.262 13.332 -6.721 579 HB3 ASN 69 1HB ASN 69 -12.277 11.902 -7.004 580 HD21 ASN 69 1HD2 ASN 69 -14.097 14.449 -8.440 581 HD22 ASN 69 2HD2 ASN 69 -13.722 14.061 -10.085 582 H MET 70 H MET 70 -15.871 11.134 -8.821 583 HA MET 70 HA MET 70 -17.814 13.177 -8.017 584 HB2 MET 70 2HB MET 70 -16.798 13.534 -10.228 585 HB3 MET 70 1HB MET 70 -17.320 11.937 -10.741 586 HG2 MET 70 2HG MET 70 -19.663 12.636 -10.426 587 HG3 MET 70 1HG MET 70 -19.100 14.252 -10.016 588 HE1 MET 70 3HE MET 70 -17.462 15.412 -13.391 589 HE2 MET 70 1HE MET 70 -16.639 14.589 -12.062 590 HE3 MET 70 2HE MET 70 -17.825 15.850 -11.723 Start of MODEL 18 1 H1 ALA 1 1HT ALA 1 14.319 9.280 5.912 2 H2 ALA 1 2HT ALA 1 15.891 9.656 5.398 3 H3 ALA 1 3HT ALA 1 15.533 8.102 5.958 4 HA ALA 1 HA ALA 1 14.417 9.357 3.527 5 HB1 ALA 1 1HB ALA 1 16.782 8.814 3.286 6 HB2 ALA 1 2HB ALA 1 15.778 7.748 2.300 7 HB3 ALA 1 3HB ALA 1 16.461 7.163 3.818 8 H SER 2 H SER 2 15.000 6.152 5.019 9 HA SER 2 HA SER 2 12.567 5.142 3.817 10 HB2 SER 2 2HB SER 2 14.343 3.659 5.747 11 HB3 SER 2 1HB SER 2 13.317 2.994 4.471 12 HG SER 2 HG SER 2 15.610 3.079 3.975 13 H ASN 3 H ASN 3 10.853 6.136 4.847 14 HA ASN 3 HA ASN 3 10.514 6.400 7.630 15 HB2 ASN 3 2HB ASN 3 8.366 6.004 5.530 16 HB3 ASN 3 1HB ASN 3 8.107 6.612 7.161 17 HD21 ASN 3 1HD2 ASN 3 7.549 7.834 4.574 18 HD22 ASN 3 2HD2 ASN 3 8.390 9.350 4.570 19 H PHE 4 H PHE 4 9.416 3.923 5.398 20 HA PHE 4 HA PHE 4 9.774 1.975 7.546 21 HB2 PHE 4 2HB PHE 4 7.912 0.631 6.535 22 HB3 PHE 4 1HB PHE 4 7.403 2.116 7.308 23 HD1 PHE 4 2HD PHE 4 8.739 1.460 3.888 24 HD2 PHE 4 1HD PHE 4 5.488 2.837 6.257 25 HE1 PHE 4 2HE PHE 4 7.534 2.087 1.849 26 HE2 PHE 4 1HE PHE 4 4.268 3.463 4.213 27 HZ PHE 4 HZ PHE 4 5.297 3.078 2.005 28 H ASP 5 H ASP 5 9.514 -0.306 6.148 29 HA ASP 5 HA ASP 5 11.241 0.030 3.815 30 HB2 ASP 5 2HB ASP 5 11.861 -2.397 4.182 31 HB3 ASP 5 1HB ASP 5 12.479 -1.257 5.367 32 H CYS 6 H CYS 6 9.769 -2.873 4.456 33 HA CYS 6 HA CYS 6 7.592 -2.571 2.565 34 HB2 CYS 6 2HB CYS 6 8.401 -4.820 1.616 35 HB3 CYS 6 1HB CYS 6 9.332 -3.399 1.166 36 H CYS 7 H CYS 7 7.321 -5.544 2.700 37 HA CYS 7 HA CYS 7 7.050 -5.956 5.596 38 HB2 CYS 7 2HB CYS 7 4.820 -5.807 4.410 39 HB3 CYS 7 1HB CYS 7 5.268 -7.270 3.541 40 H LEU 8 H LEU 8 7.947 -7.777 6.397 41 HA LEU 8 HA LEU 8 9.961 -9.010 4.844 42 HB2 LEU 8 2HB LEU 8 10.223 -10.513 6.857 43 HB3 LEU 8 1HB LEU 8 10.413 -8.794 7.136 44 HG LEU 8 HG LEU 8 7.939 -8.857 7.891 45 HD11 LEU 8 1HD1 LEU 8 8.645 -11.772 8.192 46 HD12 LEU 8 2HD1 LEU 8 7.437 -11.114 7.088 47 HD13 LEU 8 3HD1 LEU 8 7.207 -10.979 8.832 48 HD21 LEU 8 3HD2 LEU 8 9.812 -8.439 9.372 49 HD22 LEU 8 1HD2 LEU 8 10.106 -10.171 9.512 50 HD23 LEU 8 2HD2 LEU 8 8.619 -9.475 10.156 51 H GLY 9 H GLY 9 6.672 -9.700 5.088 52 HA2 GLY 9 2HA GLY 9 7.062 -12.131 3.531 53 HA3 GLY 9 1HA GLY 9 6.120 -12.273 5.012 54 H TYR 10 H TYR 10 4.976 -12.884 2.598 55 HA TYR 10 HA TYR 10 3.101 -10.633 2.281 56 HB2 TYR 10 2HB TYR 10 3.768 -12.764 0.244 57 HB3 TYR 10 1HB TYR 10 2.612 -11.467 0.031 58 HD1 TYR 10 2HD TYR 10 6.168 -12.317 0.220 59 HD2 TYR 10 1HD TYR 10 3.351 -9.197 -0.528 60 HE1 TYR 10 2HE TYR 10 7.948 -10.944 -0.771 61 HE2 TYR 10 1HE TYR 10 5.129 -7.838 -1.510 62 HH TYR 10 HH TYR 10 7.429 -7.605 -1.610 63 H THR 11 H THR 11 1.085 -11.959 0.976 64 HA THR 11 HA THR 11 0.282 -14.084 2.842 65 HB THR 11 HB THR 11 -0.758 -11.896 3.439 66 HG1 THR 11 1HG THR 11 -1.847 -14.165 3.457 67 HG21 THR 11 3HG2 THR 11 -2.083 -12.159 0.740 68 HG22 THR 11 1HG2 THR 11 -0.918 -10.921 1.214 69 HG23 THR 11 2HG2 THR 11 -2.507 -10.976 1.977 70 H ASP 12 H ASP 12 -1.101 -15.692 1.956 71 HA ASP 12 HA ASP 12 -1.244 -15.692 -0.988 72 HB2 ASP 12 2HB ASP 12 -1.306 -18.008 0.965 73 HB3 ASP 12 1HB ASP 12 -1.540 -18.168 -0.772 74 H ARG 13 H ARG 13 -3.117 -14.180 -0.372 75 HA ARG 13 HA ARG 13 -5.555 -15.777 -0.007 76 HB2 ARG 13 2HB ARG 13 -4.577 -13.498 1.568 77 HB3 ARG 13 1HB ARG 13 -6.259 -13.372 1.063 78 HG2 ARG 13 2HG ARG 13 -6.773 -15.481 2.128 79 HG3 ARG 13 1HG ARG 13 -5.072 -15.747 2.504 80 HD2 ARG 13 2HD ARG 13 -6.736 -13.472 3.571 81 HD3 ARG 13 1HD ARG 13 -6.395 -14.965 4.442 82 HE ARG 13 HE ARG 13 -4.065 -13.516 3.516 83 HH11 ARG 13 1HH1 ARG 13 -6.293 -14.062 6.174 84 HH12 ARG 13 2HH1 ARG 13 -5.187 -13.460 7.375 85 HH21 ARG 13 1HH2 ARG 13 -2.629 -12.756 5.088 86 HH22 ARG 13 2HH2 ARG 13 -3.089 -12.758 6.764 87 H ILE 14 H ILE 14 -7.528 -14.595 -0.621 88 HA ILE 14 HA ILE 14 -7.082 -12.379 -2.514 89 HB ILE 14 HB ILE 14 -9.251 -14.482 -2.547 90 HG12 ILE 14 2HG1 ILE 14 -6.776 -14.474 -3.775 91 HG13 ILE 14 1HG1 ILE 14 -8.160 -15.450 -4.252 92 HG21 ILE 14 1HG2 ILE 14 -10.214 -13.261 -4.463 93 HG22 ILE 14 2HG2 ILE 14 -9.068 -11.952 -4.177 94 HG23 ILE 14 3HG2 ILE 14 -10.285 -12.338 -2.961 95 HD11 ILE 14 3HD1 ILE 14 -7.275 -14.371 -6.182 96 HD12 ILE 14 1HD1 ILE 14 -7.338 -12.795 -5.388 97 HD13 ILE 14 2HD1 ILE 14 -8.834 -13.635 -5.794 98 H LEU 15 H LEU 15 -7.230 -10.821 -0.870 99 HA LEU 15 HA LEU 15 -9.659 -10.732 0.743 100 HB2 LEU 15 2HB LEU 15 -7.298 -8.841 0.635 101 HB3 LEU 15 1HB LEU 15 -8.683 -8.635 1.690 102 HG LEU 15 HG LEU 15 -6.993 -9.531 3.042 103 HD11 LEU 15 1HD1 LEU 15 -7.824 -11.751 3.678 104 HD12 LEU 15 2HD1 LEU 15 -8.780 -11.805 2.198 105 HD13 LEU 15 3HD1 LEU 15 -9.123 -10.585 3.426 106 HD21 LEU 15 3HD2 LEU 15 -5.411 -10.241 1.401 107 HD22 LEU 15 1HD2 LEU 15 -6.481 -11.532 0.847 108 HD23 LEU 15 2HD2 LEU 15 -5.762 -11.609 2.456 109 H HIS 16 H HIS 16 -10.763 -8.488 0.814 110 HA HIS 16 HA HIS 16 -10.996 -7.514 -1.953 111 HB2 HIS 16 2HB HIS 16 -13.262 -8.307 -0.131 112 HB3 HIS 16 1HB HIS 16 -13.454 -7.475 -1.667 113 HD1 HIS 16 1HD HIS 16 -14.822 -10.073 -1.242 114 HD2 HIS 16 2HD HIS 16 -10.975 -9.830 -2.802 115 HE1 HIS 16 1HE HIS 16 -14.540 -12.103 -2.600 116 HE2 HIS 16 2HE HIS 16 -12.311 -11.877 -3.739 117 HA PRO 17 HA PRO 17 -11.698 -3.425 -0.203 118 HB2 PRO 17 2HB PRO 17 -13.949 -2.699 -1.645 119 HB3 PRO 17 1HB PRO 17 -12.290 -2.495 -2.213 120 HG2 PRO 17 2HG PRO 17 -14.265 -4.643 -2.855 121 HG3 PRO 17 1HG PRO 17 -13.084 -3.848 -3.917 122 HD2 PRO 17 2HD PRO 17 -12.675 -6.318 -2.919 123 HD3 PRO 17 1HD PRO 17 -11.342 -5.168 -3.166 124 H LYS 18 H LYS 18 -14.057 -5.897 -0.568 125 HA LYS 18 HA LYS 18 -16.146 -5.246 1.109 126 HB2 LYS 18 2HB LYS 18 -14.762 -7.929 0.824 127 HB3 LYS 18 1HB LYS 18 -16.379 -7.700 1.441 128 HG2 LYS 18 2HG LYS 18 -16.898 -6.684 -0.855 129 HG3 LYS 18 1HG LYS 18 -15.379 -7.418 -1.357 130 HD2 LYS 18 2HD LYS 18 -16.214 -9.597 -0.541 131 HD3 LYS 18 1HD LYS 18 -17.757 -8.828 -0.165 132 HE2 LYS 18 2HE LYS 18 -17.951 -8.188 -2.558 133 HE3 LYS 18 1HE LYS 18 -16.478 -9.112 -2.875 134 HZ1 LYS 18 3HZ LYS 18 -19.070 -10.156 -1.873 135 HZ2 LYS 18 1HZ LYS 18 -17.647 -11.080 -1.973 136 HZ3 LYS 18 2HZ LYS 18 -18.358 -10.463 -3.382 137 H PHE 19 H PHE 19 -12.832 -5.989 1.901 138 HA PHE 19 HA PHE 19 -13.535 -6.064 4.764 139 HB2 PHE 19 2HB PHE 19 -11.307 -7.608 3.433 140 HB3 PHE 19 1HB PHE 19 -11.764 -7.681 5.130 141 HD1 PHE 19 1HD PHE 19 -13.729 -8.901 5.835 142 HD2 PHE 19 2HD PHE 19 -12.619 -8.718 1.730 143 HE1 PHE 19 1HE PHE 19 -15.268 -10.756 5.337 144 HE2 PHE 19 2HE PHE 19 -14.160 -10.566 1.226 145 HZ PHE 19 HZ PHE 19 -15.486 -11.590 3.028 146 H ILE 20 H ILE 20 -12.118 -4.165 2.547 147 HA ILE 20 HA ILE 20 -9.752 -3.548 4.184 148 HB ILE 20 HB ILE 20 -10.274 -3.206 1.239 149 HG12 ILE 20 2HG1 ILE 20 -7.721 -4.191 2.425 150 HG13 ILE 20 1HG1 ILE 20 -9.128 -5.248 2.517 151 HG21 ILE 20 1HG2 ILE 20 -8.089 -1.867 2.833 152 HG22 ILE 20 2HG2 ILE 20 -9.409 -1.066 1.980 153 HG23 ILE 20 3HG2 ILE 20 -8.173 -1.937 1.073 154 HD11 ILE 20 3HD1 ILE 20 -9.335 -5.181 0.106 155 HD12 ILE 20 1HD1 ILE 20 -7.729 -5.723 0.589 156 HD13 ILE 20 2HD1 ILE 20 -7.965 -4.073 0.009 157 H VAL 21 H VAL 21 -9.768 -1.773 5.348 158 HA VAL 21 HA VAL 21 -11.500 0.457 4.502 159 HB VAL 21 HB VAL 21 -11.546 1.159 6.900 160 HG11 VAL 21 1HG1 VAL 21 -13.193 -0.504 7.599 161 HG12 VAL 21 2HG1 VAL 21 -12.639 -1.591 6.324 162 HG13 VAL 21 3HG1 VAL 21 -13.406 -0.058 5.906 163 HG21 VAL 21 3HG2 VAL 21 -10.936 -0.476 8.621 164 HG22 VAL 21 1HG2 VAL 21 -9.536 0.008 7.664 165 HG23 VAL 21 2HG2 VAL 21 -10.305 -1.552 7.374 166 H GLY 22 H GLY 22 -8.319 -0.564 5.124 167 HA2 GLY 22 2HA GLY 22 -7.352 2.173 4.678 168 HA3 GLY 22 1HA GLY 22 -6.691 1.244 6.020 169 H PHE 23 H PHE 23 -5.099 2.224 3.911 170 HA PHE 23 HA PHE 23 -3.975 -0.239 2.834 171 HB2 PHE 23 2HB PHE 23 -5.400 -0.021 1.096 172 HB3 PHE 23 1HB PHE 23 -5.577 1.715 1.297 173 HD1 PHE 23 1HD PHE 23 -3.438 -0.944 -0.008 174 HD2 PHE 23 2HD PHE 23 -4.242 3.208 0.171 175 HE1 PHE 23 1HE PHE 23 -1.882 -0.579 -1.868 176 HE2 PHE 23 2HE PHE 23 -2.687 3.593 -1.702 177 HZ PHE 23 HZ PHE 23 -1.515 1.675 -2.692 178 H THR 24 H THR 24 -1.898 -0.108 2.673 179 HA THR 24 HA THR 24 -0.576 2.491 2.428 180 HB THR 24 HB THR 24 0.254 0.384 4.443 181 HG1 THR 24 1HG THR 24 -1.039 2.912 4.731 182 HG21 THR 24 3HG2 THR 24 1.341 3.166 3.957 183 HG22 THR 24 1HG2 THR 24 2.133 1.665 3.472 184 HG23 THR 24 2HG2 THR 24 1.898 2.025 5.182 185 H ARG 25 H ARG 25 1.215 2.391 1.072 186 HA ARG 25 HA ARG 25 1.783 -0.281 -0.033 187 HB2 ARG 25 2HB ARG 25 2.205 0.820 -2.196 188 HB3 ARG 25 1HB ARG 25 0.561 1.076 -1.626 189 HG2 ARG 25 2HG ARG 25 1.587 3.295 -0.658 190 HG3 ARG 25 1HG ARG 25 2.805 3.019 -1.901 191 HD2 ARG 25 2HD ARG 25 -0.164 3.132 -2.399 192 HD3 ARG 25 1HD ARG 25 0.937 4.487 -2.617 193 HE ARG 25 HE ARG 25 1.289 1.994 -4.146 194 HH11 ARG 25 1HH1 ARG 25 0.859 5.452 -3.977 195 HH12 ARG 25 2HH1 ARG 25 1.029 5.713 -5.686 196 HH21 ARG 25 1HH2 ARG 25 1.493 2.299 -6.429 197 HH22 ARG 25 2HH2 ARG 25 1.380 3.908 -7.089 198 H GLN 26 H GLN 26 3.730 -1.010 0.463 199 HA GLN 26 HA GLN 26 5.937 0.861 0.876 200 HB2 GLN 26 2HB GLN 26 5.812 -2.140 1.235 201 HB3 GLN 26 1HB GLN 26 7.211 -1.138 1.590 202 HG2 GLN 26 2HG GLN 26 6.371 -1.227 3.667 203 HG3 GLN 26 1HG GLN 26 5.402 0.119 3.077 204 HE21 GLN 26 1HE2 GLN 26 5.439 -3.198 3.993 205 HE22 GLN 26 2HE2 GLN 26 3.727 -3.427 4.016 206 H LEU 27 H LEU 27 7.715 0.951 -0.433 207 HA LEU 27 HA LEU 27 7.198 -0.152 -3.109 208 HB2 LEU 27 2HB LEU 27 8.722 2.317 -2.286 209 HB3 LEU 27 1HB LEU 27 8.620 1.726 -3.929 210 HG LEU 27 HG LEU 27 7.063 3.447 -3.864 211 HD11 LEU 27 1HD1 LEU 27 4.869 2.400 -4.051 212 HD12 LEU 27 2HD1 LEU 27 5.496 0.946 -3.275 213 HD13 LEU 27 3HD1 LEU 27 6.118 1.442 -4.848 214 HD21 LEU 27 3HD2 LEU 27 5.428 3.798 -2.087 215 HD22 LEU 27 1HD2 LEU 27 7.076 3.834 -1.460 216 HD23 LEU 27 2HD2 LEU 27 6.070 2.407 -1.214 217 H ALA 28 H ALA 28 8.966 -0.755 -4.426 218 HA ALA 28 HA ALA 28 11.134 -2.011 -2.943 219 HB1 ALA 28 1HB ALA 28 9.854 -3.362 -4.538 220 HB2 ALA 28 2HB ALA 28 11.550 -3.242 -5.008 221 HB3 ALA 28 3HB ALA 28 10.334 -2.277 -5.844 222 H ASN 29 H ASN 29 10.723 0.931 -3.910 223 HA ASN 29 HA ASN 29 13.494 1.251 -4.827 224 HB2 ASN 29 2HB ASN 29 11.085 2.858 -5.714 225 HB3 ASN 29 1HB ASN 29 12.755 3.286 -6.076 226 HD21 ASN 29 1HD2 ASN 29 10.101 1.228 -6.843 227 HD22 ASN 29 2HD2 ASN 29 10.813 0.462 -8.219 228 H GLU 30 H GLU 30 10.755 3.138 -3.529 229 HA GLU 30 HA GLU 30 12.649 4.494 -1.753 230 HB2 GLU 30 2HB GLU 30 9.813 5.214 -2.527 231 HB3 GLU 30 1HB GLU 30 10.816 6.140 -1.414 232 HG2 GLU 30 2HG GLU 30 12.377 6.653 -3.156 233 HG3 GLU 30 1HG GLU 30 11.543 5.580 -4.276 234 H GLY 31 H GLY 31 12.867 2.836 -0.226 235 HA2 GLY 31 2HA GLY 31 11.779 2.987 2.144 236 HA3 GLY 31 1HA GLY 31 10.472 2.152 1.317 237 H CYS 32 H CYS 32 11.362 0.232 -0.055 238 HA CYS 32 HA CYS 32 13.325 -1.259 1.546 239 HB2 CYS 32 2HB CYS 32 10.987 -1.931 2.117 240 HB3 CYS 32 1HB CYS 32 10.739 -2.364 0.431 241 H ASP 33 H ASP 33 14.093 -3.257 0.264 242 HA ASP 33 HA ASP 33 14.452 -2.516 -2.523 243 HB2 ASP 33 2HB ASP 33 15.887 -4.572 -2.626 244 HB3 ASP 33 1HB ASP 33 16.408 -3.392 -1.430 245 H ILE 34 H ILE 34 12.472 -4.543 -0.592 246 HA ILE 34 HA ILE 34 11.211 -5.576 -3.045 247 HB ILE 34 HB ILE 34 10.532 -7.485 -1.984 248 HG12 ILE 34 2HG1 ILE 34 10.543 -6.072 0.696 249 HG13 ILE 34 1HG1 ILE 34 9.124 -6.256 -0.330 250 HG21 ILE 34 1HG2 ILE 34 12.208 -8.315 -0.414 251 HG22 ILE 34 2HG2 ILE 34 12.781 -6.666 -0.152 252 HG23 ILE 34 3HG2 ILE 34 12.965 -7.423 -1.735 253 HD11 ILE 34 3HD1 ILE 34 9.291 -8.688 -0.108 254 HD12 ILE 34 1HD1 ILE 34 9.128 -7.894 1.458 255 HD13 ILE 34 2HD1 ILE 34 10.704 -8.486 0.929 256 H ASN 35 H ASN 35 8.701 -5.754 -2.717 257 HA ASN 35 HA ASN 35 7.807 -3.321 -1.308 258 HB2 ASN 35 2HB ASN 35 6.134 -3.061 -3.233 259 HB3 ASN 35 1HB ASN 35 7.811 -2.649 -3.573 260 HD21 ASN 35 1HD2 ASN 35 7.478 -2.935 -5.789 261 HD22 ASN 35 2HD2 ASN 35 7.342 -4.500 -6.502 262 H ALA 36 H ALA 36 5.823 -3.394 -0.311 263 HA ALA 36 HA ALA 36 4.128 -5.730 -0.774 264 HB1 ALA 36 1HB ALA 36 5.525 -6.291 1.180 265 HB2 ALA 36 2HB ALA 36 3.811 -6.167 1.583 266 HB3 ALA 36 3HB ALA 36 4.916 -4.857 2.005 267 H ILE 37 H ILE 37 1.948 -5.363 -0.401 268 HA ILE 37 HA ILE 37 1.204 -2.548 -0.007 269 HB ILE 37 HB ILE 37 -0.336 -4.795 -1.320 270 HG12 ILE 37 2HG1 ILE 37 1.553 -4.052 -2.686 271 HG13 ILE 37 1HG1 ILE 37 0.033 -3.540 -3.407 272 HG21 ILE 37 1HG2 ILE 37 -1.883 -2.997 -2.024 273 HG22 ILE 37 2HG2 ILE 37 -1.015 -1.890 -0.958 274 HG23 ILE 37 3HG2 ILE 37 -1.860 -3.282 -0.284 275 HD11 ILE 37 3HD1 ILE 37 1.900 -1.801 -1.806 276 HD12 ILE 37 1HD1 ILE 37 0.378 -1.285 -2.528 277 HD13 ILE 37 2HD1 ILE 37 1.714 -1.794 -3.559 278 H ILE 38 H ILE 38 0.824 -2.328 2.178 279 HA ILE 38 HA ILE 38 -0.449 -4.445 3.662 280 HB ILE 38 HB ILE 38 0.267 -1.628 4.484 281 HG12 ILE 38 2HG1 ILE 38 1.462 -4.303 5.221 282 HG13 ILE 38 1HG1 ILE 38 2.180 -3.142 4.111 283 HG21 ILE 38 1HG2 ILE 38 -1.678 -2.406 5.748 284 HG22 ILE 38 2HG2 ILE 38 -0.244 -2.319 6.773 285 HG23 ILE 38 3HG2 ILE 38 -0.810 -3.880 6.182 286 HD11 ILE 38 3HD1 ILE 38 1.693 -2.732 7.053 287 HD12 ILE 38 1HD1 ILE 38 2.382 -1.535 5.953 288 HD13 ILE 38 2HD1 ILE 38 3.248 -3.037 6.278 289 H PHE 39 H PHE 39 -2.517 -4.817 3.084 290 HA PHE 39 HA PHE 39 -4.393 -2.591 2.997 291 HB2 PHE 39 2HB PHE 39 -4.787 -5.570 2.678 292 HB3 PHE 39 1HB PHE 39 -6.116 -4.416 2.700 293 HD1 PHE 39 2HD PHE 39 -5.024 -2.201 1.060 294 HD2 PHE 39 1HD PHE 39 -4.771 -6.426 0.565 295 HE1 PHE 39 2HE PHE 39 -4.789 -1.903 -1.389 296 HE2 PHE 39 1HE PHE 39 -4.535 -6.137 -1.857 297 HZ PHE 39 HZ PHE 39 -4.544 -3.885 -2.828 298 H HIS 40 H HIS 40 -5.312 -1.835 4.751 299 HA HIS 40 HA HIS 40 -5.075 -3.345 7.238 300 HB2 HIS 40 2HB HIS 40 -6.177 -0.540 6.901 301 HB3 HIS 40 1HB HIS 40 -5.615 -1.300 8.389 302 HD1 HIS 40 1HD HIS 40 -3.274 -0.707 9.053 303 HD2 HIS 40 2HD HIS 40 -3.954 -0.159 4.990 304 HE1 HIS 40 1HE HIS 40 -1.159 0.301 8.120 305 HE2 HIS 40 2HE HIS 40 -1.704 0.860 5.740 306 H THR 41 H THR 41 -6.648 -4.782 7.501 307 HA THR 41 HA THR 41 -9.108 -4.552 6.074 308 HB THR 41 HB THR 41 -9.713 -6.671 7.170 309 HG1 THR 41 1HG THR 41 -7.140 -6.503 8.400 310 HG21 THR 41 3HG2 THR 41 -6.922 -6.619 6.015 311 HG22 THR 41 1HG2 THR 41 -8.423 -6.683 5.089 312 HG23 THR 41 2HG2 THR 41 -7.967 -8.035 6.126 313 H LYS 42 H LYS 42 -11.218 -4.699 7.004 314 HA LYS 42 HA LYS 42 -11.728 -2.978 9.171 315 HB2 LYS 42 2HB LYS 42 -14.025 -3.644 8.870 316 HB3 LYS 42 1HB LYS 42 -13.296 -3.428 7.297 317 HG2 LYS 42 2HG LYS 42 -13.068 -5.827 7.044 318 HG3 LYS 42 1HG LYS 42 -13.746 -6.072 8.655 319 HD2 LYS 42 2HD LYS 42 -15.844 -5.037 7.929 320 HD3 LYS 42 1HD LYS 42 -15.163 -4.784 6.320 321 HE2 LYS 42 2HE LYS 42 -14.939 -7.188 6.025 322 HE3 LYS 42 1HE LYS 42 -15.561 -7.459 7.653 323 HZ1 LYS 42 3HZ LYS 42 -17.264 -7.790 5.978 324 HZ2 LYS 42 1HZ LYS 42 -17.067 -6.204 5.418 325 HZ3 LYS 42 2HZ LYS 42 -17.659 -6.483 6.982 326 H LYS 43 H LYS 43 -10.439 -5.989 9.085 327 HA LYS 43 HA LYS 43 -11.562 -6.869 11.609 328 HB2 LYS 43 2HB LYS 43 -11.155 -8.424 9.605 329 HB3 LYS 43 1HB LYS 43 -9.445 -8.280 9.988 330 HG2 LYS 43 2HG LYS 43 -9.895 -9.180 12.235 331 HG3 LYS 43 1HG LYS 43 -11.592 -9.386 11.794 332 HD2 LYS 43 2HD LYS 43 -9.246 -10.700 10.414 333 HD3 LYS 43 1HD LYS 43 -10.303 -11.475 11.592 334 HE2 LYS 43 2HE LYS 43 -11.232 -10.316 8.973 335 HE3 LYS 43 1HE LYS 43 -10.845 -12.015 9.220 336 HZ1 LYS 43 3HZ LYS 43 -13.189 -11.729 9.409 337 HZ2 LYS 43 1HZ LYS 43 -13.020 -10.468 10.531 338 HZ3 LYS 43 2HZ LYS 43 -12.591 -12.054 10.957 339 H LYS 44 H LYS 44 -9.482 -4.673 10.754 340 HA LYS 44 HA LYS 44 -7.998 -3.421 11.906 341 HB2 LYS 44 2HB LYS 44 -8.264 -5.570 14.008 342 HB3 LYS 44 1HB LYS 44 -7.230 -4.161 14.198 343 HG2 LYS 44 2HG LYS 44 -10.220 -4.118 13.800 344 HG3 LYS 44 1HG LYS 44 -9.373 -3.869 15.326 345 HD2 LYS 44 2HD LYS 44 -9.128 -2.124 12.878 346 HD3 LYS 44 1HD LYS 44 -10.065 -1.742 14.319 347 HE2 LYS 44 2HE LYS 44 -8.001 -1.789 15.655 348 HE3 LYS 44 1HE LYS 44 -7.075 -2.145 14.197 349 HZ1 LYS 44 3HZ LYS 44 -8.677 0.319 14.663 350 HZ2 LYS 44 1HZ LYS 44 -7.763 -0.023 13.275 351 HZ3 LYS 44 2HZ LYS 44 -6.987 0.205 14.768 352 H LEU 45 H LEU 45 -7.368 -6.731 11.230 353 HA LEU 45 HA LEU 45 -4.568 -6.685 11.722 354 HB2 LEU 45 2HB LEU 45 -6.250 -8.511 10.011 355 HB3 LEU 45 1HB LEU 45 -4.545 -8.762 10.339 356 HG LEU 45 HG LEU 45 -6.767 -8.765 12.388 357 HD11 LEU 45 1HD1 LEU 45 -5.058 -10.994 11.292 358 HD12 LEU 45 2HD1 LEU 45 -6.780 -10.750 10.993 359 HD13 LEU 45 3HD1 LEU 45 -6.212 -11.141 12.616 360 HD21 LEU 45 3HD2 LEU 45 -3.812 -9.281 12.731 361 HD22 LEU 45 1HD2 LEU 45 -5.049 -9.460 13.974 362 HD23 LEU 45 2HD2 LEU 45 -4.689 -7.866 13.313 363 H SER 46 H SER 46 -2.966 -5.981 10.544 364 HA SER 46 HA SER 46 -3.458 -4.763 7.965 365 HB2 SER 46 2HB SER 46 -0.939 -4.224 8.228 366 HB3 SER 46 1HB SER 46 -2.064 -3.448 9.341 367 HG SER 46 HG SER 46 -0.082 -4.490 10.245 368 H VAL 47 H VAL 47 -3.472 -6.046 6.231 369 HA VAL 47 HA VAL 47 -1.983 -8.560 6.284 370 HB VAL 47 HB VAL 47 -3.990 -7.520 4.265 371 HG11 VAL 47 1HG1 VAL 47 -2.754 -10.256 4.578 372 HG12 VAL 47 2HG1 VAL 47 -2.474 -9.121 3.256 373 HG13 VAL 47 3HG1 VAL 47 -4.067 -9.847 3.474 374 HG21 VAL 47 3HG2 VAL 47 -5.549 -9.082 5.297 375 HG22 VAL 47 1HG2 VAL 47 -4.970 -7.904 6.477 376 HG23 VAL 47 2HG2 VAL 47 -4.323 -9.546 6.477 377 H CYS 48 H CYS 48 -0.132 -8.874 5.151 378 HA CYS 48 HA CYS 48 0.894 -6.665 3.592 379 HB2 CYS 48 2HB CYS 48 2.166 -9.296 4.391 380 HB3 CYS 48 1HB CYS 48 2.976 -8.038 3.463 381 H ALA 49 H ALA 49 -0.565 -6.735 1.918 382 HA ALA 49 HA ALA 49 -1.046 -9.084 0.373 383 HB1 ALA 49 1HB ALA 49 -1.645 -6.163 -0.155 384 HB2 ALA 49 2HB ALA 49 -2.730 -7.343 0.576 385 HB3 ALA 49 3HB ALA 49 -2.259 -7.512 -1.115 386 H ASN 50 H ASN 50 -0.104 -9.735 -1.493 387 HA ASN 50 HA ASN 50 2.473 -8.617 -2.113 388 HB2 ASN 50 2HB ASN 50 1.403 -10.487 -4.105 389 HB3 ASN 50 1HB ASN 50 2.926 -10.538 -3.231 390 HD21 ASN 50 1HD2 ASN 50 1.215 -10.586 -0.614 391 HD22 ASN 50 2HD2 ASN 50 0.700 -12.251 -0.558 392 HA PRO 51 HA PRO 51 0.826 -5.722 -5.057 393 HB2 PRO 51 2HB PRO 51 3.625 -5.626 -6.015 394 HB3 PRO 51 1HB PRO 51 2.595 -4.317 -5.425 395 HG2 PRO 51 2HG PRO 51 4.612 -5.257 -3.950 396 HG3 PRO 51 1HG PRO 51 3.080 -4.761 -3.203 397 HD2 PRO 51 2HD PRO 51 4.082 -7.517 -3.827 398 HD3 PRO 51 1HD PRO 51 3.229 -6.927 -2.383 399 H LYS 52 H LYS 52 2.160 -8.692 -5.577 400 HA LYS 52 HA LYS 52 2.396 -8.674 -8.442 401 HB2 LYS 52 2HB LYS 52 2.432 -10.927 -6.424 402 HB3 LYS 52 1HB LYS 52 2.956 -11.042 -8.108 403 HG2 LYS 52 2HG LYS 52 4.656 -9.257 -7.597 404 HG3 LYS 52 1HG LYS 52 4.222 -9.444 -5.898 405 HD2 LYS 52 2HD LYS 52 4.854 -11.829 -6.034 406 HD3 LYS 52 1HD LYS 52 5.356 -11.579 -7.711 407 HE2 LYS 52 2HE LYS 52 6.884 -9.756 -6.821 408 HE3 LYS 52 1HE LYS 52 6.536 -10.379 -5.213 409 HZ1 LYS 52 3HZ LYS 52 7.809 -11.870 -7.442 410 HZ2 LYS 52 1HZ LYS 52 7.397 -12.551 -5.942 411 HZ3 LYS 52 2HZ LYS 52 8.569 -11.325 -6.031 412 H GLN 53 H GLN 53 0.014 -9.533 -6.079 413 HA GLN 53 HA GLN 53 -1.503 -11.327 -7.680 414 HB2 GLN 53 2HB GLN 53 -2.611 -9.782 -5.371 415 HB3 GLN 53 1HB GLN 53 -2.923 -11.448 -5.842 416 HG2 GLN 53 2HG GLN 53 -0.682 -12.060 -5.142 417 HG3 GLN 53 1HG GLN 53 -0.358 -10.404 -4.688 418 HE21 GLN 53 1HE2 GLN 53 -1.382 -9.522 -2.915 419 HE22 GLN 53 2HE2 GLN 53 -2.021 -10.547 -1.684 420 H THR 54 H THR 54 -3.162 -10.918 -9.067 421 HA THR 54 HA THR 54 -3.616 -8.297 -9.996 422 HB THR 54 HB THR 54 -5.739 -9.513 -11.006 423 HG1 THR 54 1HG THR 54 -4.775 -11.821 -11.286 424 HG21 THR 54 3HG2 THR 54 -3.839 -8.653 -12.275 425 HG22 THR 54 1HG2 THR 54 -4.317 -10.245 -12.873 426 HG23 THR 54 2HG2 THR 54 -2.891 -10.078 -11.847 427 H TRP 55 H TRP 55 -5.359 -10.307 -7.661 428 HA TRP 55 HA TRP 55 -7.584 -8.616 -7.385 429 HB2 TRP 55 2HB TRP 55 -8.092 -9.756 -5.376 430 HB3 TRP 55 1HB TRP 55 -7.440 -10.938 -6.495 431 HD1 TRP 55 HD TRP 55 -5.042 -11.938 -5.861 432 HE1 TRP 55 1HE TRP 55 -3.774 -12.061 -3.698 433 HE3 TRP 55 3HE TRP 55 -7.613 -8.481 -3.404 434 HZ2 TRP 55 2HZ TRP 55 -3.835 -10.777 -1.187 435 HZ3 TRP 55 3HZ TRP 55 -6.983 -7.931 -1.198 436 HH2 TRP 55 HH TRP 55 -5.160 -9.025 -0.038 437 H VAL 56 H VAL 56 -4.396 -8.540 -6.032 438 HA VAL 56 HA VAL 56 -4.874 -6.326 -4.316 439 HB VAL 56 HB VAL 56 -2.401 -7.671 -5.355 440 HG11 VAL 56 1HG1 VAL 56 -1.910 -5.271 -5.360 441 HG12 VAL 56 2HG1 VAL 56 -1.036 -6.117 -4.084 442 HG13 VAL 56 3HG1 VAL 56 -2.465 -5.159 -3.691 443 HG21 VAL 56 3HG2 VAL 56 -3.473 -7.134 -2.597 444 HG22 VAL 56 1HG2 VAL 56 -2.038 -8.077 -2.993 445 HG23 VAL 56 2HG2 VAL 56 -3.632 -8.650 -3.486 446 H LYS 57 H LYS 57 -3.460 -6.687 -7.563 447 HA LYS 57 HA LYS 57 -2.919 -3.969 -7.989 448 HB2 LYS 57 2HB LYS 57 -3.660 -6.015 -10.092 449 HB3 LYS 57 1HB LYS 57 -2.804 -4.502 -10.364 450 HG2 LYS 57 2HG LYS 57 -0.996 -5.361 -8.864 451 HG3 LYS 57 1HG LYS 57 -1.822 -6.918 -8.872 452 HD2 LYS 57 2HD LYS 57 -1.651 -6.882 -11.380 453 HD3 LYS 57 1HD LYS 57 -0.612 -5.463 -11.216 454 HE2 LYS 57 2HE LYS 57 0.855 -6.822 -9.708 455 HE3 LYS 57 1HE LYS 57 -0.117 -8.232 -10.137 456 HZ1 LYS 57 3HZ LYS 57 1.549 -6.575 -11.956 457 HZ2 LYS 57 1HZ LYS 57 0.482 -7.780 -12.493 458 HZ3 LYS 57 2HZ LYS 57 1.803 -8.196 -11.518 459 H TYR 58 H TYR 58 -5.858 -5.818 -8.243 460 HA TYR 58 HA TYR 58 -7.413 -3.828 -9.514 461 HB2 TYR 58 2HB TYR 58 -8.340 -5.982 -9.581 462 HB3 TYR 58 1HB TYR 58 -8.037 -6.261 -7.870 463 HD1 TYR 58 2HD TYR 58 -10.023 -3.967 -10.063 464 HD2 TYR 58 1HD TYR 58 -9.816 -6.171 -6.434 465 HE1 TYR 58 2HE TYR 58 -12.316 -3.274 -9.519 466 HE2 TYR 58 1HE TYR 58 -12.106 -5.493 -5.882 467 HH TYR 58 HH TYR 58 -14.216 -4.169 -8.115 468 H ILE 59 H ILE 59 -7.013 -4.775 -6.104 469 HA ILE 59 HA ILE 59 -8.757 -2.781 -5.116 470 HB ILE 59 HB ILE 59 -6.624 -4.315 -3.626 471 HG12 ILE 59 2HG1 ILE 59 -9.600 -4.808 -3.901 472 HG13 ILE 59 1HG1 ILE 59 -8.342 -5.721 -4.715 473 HG21 ILE 59 1HG2 ILE 59 -9.001 -2.754 -2.624 474 HG22 ILE 59 2HG2 ILE 59 -7.307 -2.298 -2.439 475 HG23 ILE 59 3HG2 ILE 59 -7.926 -3.739 -1.631 476 HD11 ILE 59 3HD1 ILE 59 -7.494 -6.493 -2.571 477 HD12 ILE 59 1HD1 ILE 59 -9.188 -6.927 -2.802 478 HD13 ILE 59 2HD1 ILE 59 -8.761 -5.580 -1.747 479 H VAL 60 H VAL 60 -5.213 -2.895 -5.483 480 HA VAL 60 HA VAL 60 -4.815 -0.401 -4.153 481 HB VAL 60 HB VAL 60 -2.984 -2.036 -4.350 482 HG11 VAL 60 1HG1 VAL 60 -1.749 -2.288 -6.447 483 HG12 VAL 60 2HG1 VAL 60 -2.931 -1.270 -7.270 484 HG13 VAL 60 3HG1 VAL 60 -3.419 -2.832 -6.619 485 HG21 VAL 60 3HG2 VAL 60 -2.431 0.278 -3.907 486 HG22 VAL 60 1HG2 VAL 60 -2.398 0.629 -5.636 487 HG23 VAL 60 2HG2 VAL 60 -1.199 -0.456 -4.933 488 H ARG 61 H ARG 61 -5.479 -1.318 -7.474 489 HA ARG 61 HA ARG 61 -5.083 1.235 -8.645 490 HB2 ARG 61 2HB ARG 61 -5.413 -0.933 -9.897 491 HB3 ARG 61 1HB ARG 61 -7.113 -0.866 -9.462 492 HG2 ARG 61 2HG ARG 61 -7.278 1.298 -10.665 493 HG3 ARG 61 1HG ARG 61 -5.608 1.082 -11.198 494 HD2 ARG 61 2HD ARG 61 -6.959 0.302 -12.970 495 HD3 ARG 61 1HD ARG 61 -6.358 -1.143 -12.165 496 HE ARG 61 HE ARG 61 -9.032 -0.084 -11.560 497 HH11 ARG 61 1HH1 ARG 61 -6.958 -2.698 -12.635 498 HH12 ARG 61 2HH1 ARG 61 -8.253 -3.851 -12.724 499 HH21 ARG 61 1HH2 ARG 61 -10.742 -1.582 -11.714 500 HH22 ARG 61 2HH2 ARG 61 -10.406 -3.223 -12.204 501 H LEU 62 H LEU 62 -7.592 -0.233 -6.785 502 HA LEU 62 HA LEU 62 -9.534 1.855 -7.236 503 HB2 LEU 62 2HB LEU 62 -10.085 -0.569 -6.862 504 HB3 LEU 62 1HB LEU 62 -9.541 -0.379 -5.205 505 HG LEU 62 HG LEU 62 -11.310 1.361 -4.893 506 HD11 LEU 62 1HD1 LEU 62 -11.634 1.983 -7.224 507 HD12 LEU 62 2HD1 LEU 62 -13.147 1.425 -6.510 508 HD13 LEU 62 3HD1 LEU 62 -12.235 0.364 -7.585 509 HD21 LEU 62 3HD2 LEU 62 -13.119 -0.255 -4.682 510 HD22 LEU 62 1HD2 LEU 62 -11.590 -0.951 -4.147 511 HD23 LEU 62 2HD2 LEU 62 -12.251 -1.381 -5.725 512 H LEU 63 H LEU 63 -6.915 1.230 -5.101 513 HA LEU 63 HA LEU 63 -7.947 3.133 -3.116 514 HB2 LEU 63 2HB LEU 63 -5.878 0.969 -2.888 515 HB3 LEU 63 1HB LEU 63 -6.195 2.140 -1.619 516 HG LEU 63 HG LEU 63 -8.122 0.070 -2.701 517 HD11 LEU 63 1HD1 LEU 63 -8.030 -0.800 -0.395 518 HD12 LEU 63 2HD1 LEU 63 -6.767 0.376 -0.028 519 HD13 LEU 63 3HD1 LEU 63 -6.476 -0.884 -1.227 520 HD21 LEU 63 3HD2 LEU 63 -8.563 2.183 -0.593 521 HD22 LEU 63 1HD2 LEU 63 -9.674 0.868 -0.978 522 HD23 LEU 63 2HD2 LEU 63 -9.328 2.110 -2.182 523 H SER 64 H SER 64 -6.080 3.255 -5.734 524 HA SER 64 HA SER 64 -3.671 4.388 -4.848 525 HB2 SER 64 2HB SER 64 -3.963 3.524 -7.122 526 HB3 SER 64 1HB SER 64 -5.097 4.822 -7.482 527 HG SER 64 HG SER 64 -2.513 5.423 -6.553 528 H LYS 65 H LYS 65 -6.617 6.028 -6.071 529 HA LYS 65 HA LYS 65 -5.752 8.405 -4.555 530 HB2 LYS 65 2HB LYS 65 -6.739 8.322 -7.403 531 HB3 LYS 65 1HB LYS 65 -6.690 9.796 -6.452 532 HG2 LYS 65 2HG LYS 65 -4.300 8.094 -7.130 533 HG3 LYS 65 1HG LYS 65 -4.772 9.581 -7.959 534 HD2 LYS 65 2HD LYS 65 -4.544 10.800 -5.825 535 HD3 LYS 65 1HD LYS 65 -3.991 9.313 -5.053 536 HE2 LYS 65 2HE LYS 65 -2.104 10.727 -5.650 537 HE3 LYS 65 1HE LYS 65 -2.083 9.236 -6.596 538 HZ1 LYS 65 3HZ LYS 65 -3.229 11.786 -7.590 539 HZ2 LYS 65 1HZ LYS 65 -2.902 10.384 -8.483 540 HZ3 LYS 65 2HZ LYS 65 -1.625 11.317 -7.878 541 H LYS 66 H LYS 66 -7.945 6.177 -4.417 542 HA LYS 66 HA LYS 66 -10.264 7.978 -4.328 543 HB2 LYS 66 2HB LYS 66 -10.220 4.962 -4.433 544 HB3 LYS 66 1HB LYS 66 -11.663 5.969 -4.436 545 HG2 LYS 66 2HG LYS 66 -9.529 5.972 -6.564 546 HG3 LYS 66 1HG LYS 66 -11.082 5.149 -6.673 547 HD2 LYS 66 2HD LYS 66 -10.936 8.104 -6.171 548 HD3 LYS 66 1HD LYS 66 -10.819 7.452 -7.800 549 HE2 LYS 66 2HE LYS 66 -13.097 8.079 -7.366 550 HE3 LYS 66 1HE LYS 66 -12.988 6.325 -7.471 551 HZ1 LYS 66 3HZ LYS 66 -13.120 6.154 -5.110 552 HZ2 LYS 66 1HZ LYS 66 -14.404 7.127 -5.638 553 HZ3 LYS 66 2HZ LYS 66 -13.043 7.839 -4.912 554 H VAL 67 H VAL 67 -8.009 6.889 -2.286 555 HA VAL 67 HA VAL 67 -9.756 6.262 -0.050 556 HB VAL 67 HB VAL 67 -6.749 6.615 -0.120 557 HG11 VAL 67 1HG1 VAL 67 -8.551 5.526 2.041 558 HG12 VAL 67 2HG1 VAL 67 -7.662 7.049 2.094 559 HG13 VAL 67 3HG1 VAL 67 -6.787 5.518 2.077 560 HG21 VAL 67 3HG2 VAL 67 -6.666 4.169 0.006 561 HG22 VAL 67 1HG2 VAL 67 -7.493 4.714 -1.455 562 HG23 VAL 67 2HG2 VAL 67 -8.427 4.109 -0.087 563 H LYS 68 H LYS 68 -10.717 7.850 1.045 564 HA LYS 68 HA LYS 68 -9.692 10.559 0.869 565 HB2 LYS 68 2HB LYS 68 -12.160 9.896 0.728 566 HB3 LYS 68 1HB LYS 68 -12.080 9.656 2.468 567 HG2 LYS 68 2HG LYS 68 -12.984 11.847 1.934 568 HG3 LYS 68 1HG LYS 68 -11.431 11.996 2.760 569 HD2 LYS 68 2HD LYS 68 -11.682 13.547 0.832 570 HD3 LYS 68 1HD LYS 68 -10.307 12.452 0.678 571 HE2 LYS 68 2HE LYS 68 -11.638 10.989 -0.770 572 HE3 LYS 68 1HE LYS 68 -13.005 12.093 -0.620 573 HZ1 LYS 68 3HZ LYS 68 -11.720 12.380 -2.684 574 HZ2 LYS 68 1HZ LYS 68 -10.368 12.841 -1.768 575 HZ3 LYS 68 2HZ LYS 68 -11.774 13.790 -1.743 576 H ASN 69 H ASN 69 -7.784 10.430 2.047 577 HA ASN 69 HA ASN 69 -8.055 9.775 4.890 578 HB2 ASN 69 2HB ASN 69 -6.335 8.462 3.849 579 HB3 ASN 69 1HB ASN 69 -5.625 9.885 3.100 580 HD21 ASN 69 1HD2 ASN 69 -4.264 11.166 4.249 581 HD22 ASN 69 2HD2 ASN 69 -3.691 10.781 5.833 582 H MET 70 H MET 70 -8.496 11.485 6.077 583 HA MET 70 HA MET 70 -6.920 13.935 5.628 584 HB2 MET 70 2HB MET 70 -9.335 14.223 5.099 585 HB3 MET 70 1HB MET 70 -9.727 13.743 6.747 586 HG2 MET 70 2HG MET 70 -8.597 15.684 7.625 587 HG3 MET 70 1HG MET 70 -8.068 16.142 6.007 588 HE1 MET 70 3HE MET 70 -11.116 15.799 8.456 589 HE2 MET 70 1HE MET 70 -11.549 14.704 7.143 590 HE3 MET 70 2HE MET 70 -12.471 16.188 7.396 Start of MODEL 19 1 H1 ALA 1 1HT ALA 1 18.084 7.671 7.603 2 H2 ALA 1 2HT ALA 1 16.436 7.342 7.358 3 H3 ALA 1 3HT ALA 1 17.348 8.074 6.133 4 HA ALA 1 HA ALA 1 18.536 6.174 5.653 5 HB1 ALA 1 1HB ALA 1 17.442 5.057 8.227 6 HB2 ALA 1 2HB ALA 1 19.115 5.489 7.874 7 HB3 ALA 1 3HB ALA 1 18.363 4.126 7.046 8 H SER 2 H SER 2 15.818 4.669 7.296 9 HA SER 2 HA SER 2 14.419 4.427 4.716 10 HB2 SER 2 2HB SER 2 14.408 2.311 6.875 11 HB3 SER 2 1HB SER 2 13.849 2.168 5.210 12 HG SER 2 HG SER 2 16.076 1.338 5.945 13 H ASN 3 H ASN 3 12.289 4.991 4.792 14 HA ASN 3 HA ASN 3 11.083 5.983 7.161 15 HB2 ASN 3 2HB ASN 3 10.327 6.653 4.893 16 HB3 ASN 3 1HB ASN 3 9.771 5.010 4.604 17 HD21 ASN 3 1HD2 ASN 3 9.428 6.653 7.672 18 HD22 ASN 3 2HD2 ASN 3 7.704 6.797 7.619 19 H PHE 4 H PHE 4 10.442 3.082 5.256 20 HA PHE 4 HA PHE 4 10.055 1.596 7.744 21 HB2 PHE 4 2HB PHE 4 8.255 0.271 6.536 22 HB3 PHE 4 1HB PHE 4 7.827 1.908 7.004 23 HD1 PHE 4 1HD PHE 4 9.506 0.336 4.053 24 HD2 PHE 4 2HD PHE 4 6.492 2.973 5.490 25 HE1 PHE 4 1HE PHE 4 8.848 0.840 1.739 26 HE2 PHE 4 2HE PHE 4 5.835 3.482 3.177 27 HZ PHE 4 HZ PHE 4 7.015 2.407 1.303 28 H ASP 5 H ASP 5 10.430 -0.731 7.490 29 HA ASP 5 HA ASP 5 11.677 -1.433 4.930 30 HB2 ASP 5 2HB ASP 5 12.668 -3.409 6.083 31 HB3 ASP 5 1HB ASP 5 13.266 -1.871 6.686 32 H CYS 6 H CYS 6 10.436 -2.459 3.631 33 HA CYS 6 HA CYS 6 7.785 -2.958 4.113 34 HB2 CYS 6 2HB CYS 6 7.803 -3.904 1.871 35 HB3 CYS 6 1HB CYS 6 8.768 -2.449 1.933 36 H CYS 7 H CYS 7 6.650 -5.050 3.689 37 HA CYS 7 HA CYS 7 7.119 -6.859 5.733 38 HB2 CYS 7 2HB CYS 7 5.605 -7.374 3.168 39 HB3 CYS 7 1HB CYS 7 5.432 -8.268 4.671 40 H LEU 8 H LEU 8 8.444 -8.518 5.987 41 HA LEU 8 HA LEU 8 10.050 -9.467 3.791 42 HB2 LEU 8 2HB LEU 8 10.919 -11.064 5.589 43 HB3 LEU 8 1HB LEU 8 11.260 -9.356 5.773 44 HG LEU 8 HG LEU 8 9.202 -9.313 7.324 45 HD11 LEU 8 1HD1 LEU 8 8.307 -11.501 6.748 46 HD12 LEU 8 2HD1 LEU 8 8.712 -11.410 8.464 47 HD13 LEU 8 3HD1 LEU 8 9.778 -12.268 7.349 48 HD21 LEU 8 3HD2 LEU 8 10.554 -9.959 9.235 49 HD22 LEU 8 1HD2 LEU 8 11.516 -9.047 8.068 50 HD23 LEU 8 2HD2 LEU 8 11.681 -10.803 8.169 51 H GLY 9 H GLY 9 7.058 -10.202 5.162 52 HA2 GLY 9 2HA GLY 9 6.923 -12.641 3.509 53 HA3 GLY 9 1HA GLY 9 6.250 -12.615 5.133 54 H TYR 10 H TYR 10 5.090 -12.899 2.350 55 HA TYR 10 HA TYR 10 3.160 -10.676 2.422 56 HB2 TYR 10 2HB TYR 10 3.896 -12.585 0.195 57 HB3 TYR 10 1HB TYR 10 2.598 -11.413 0.095 58 HD1 TYR 10 1HD TYR 10 6.222 -11.434 1.002 59 HD2 TYR 10 2HD TYR 10 3.072 -9.487 -1.120 60 HE1 TYR 10 1HE TYR 10 7.827 -9.807 0.110 61 HE2 TYR 10 2HE TYR 10 4.680 -7.857 -1.997 62 HH TYR 10 HH TYR 10 8.028 -8.293 -1.815 63 H THR 11 H THR 11 1.106 -11.891 0.950 64 HA THR 11 HA THR 11 0.371 -14.280 2.492 65 HB THR 11 HB THR 11 -0.650 -12.132 3.443 66 HG1 THR 11 1HG THR 11 -1.561 -14.097 4.003 67 HG21 THR 11 3HG2 THR 11 -2.347 -12.388 0.958 68 HG22 THR 11 1HG2 THR 11 -1.219 -11.076 1.302 69 HG23 THR 11 2HG2 THR 11 -2.648 -11.297 2.310 70 H ASP 12 H ASP 12 -1.110 -15.685 1.447 71 HA ASP 12 HA ASP 12 -1.562 -15.098 -1.399 72 HB2 ASP 12 2HB ASP 12 -0.942 -17.723 -0.051 73 HB3 ASP 12 1HB ASP 12 -1.686 -17.653 -1.641 74 H ARG 13 H ARG 13 -3.482 -14.042 -0.509 75 HA ARG 13 HA ARG 13 -5.666 -15.990 -0.191 76 HB2 ARG 13 2HB ARG 13 -5.314 -13.348 1.222 77 HB3 ARG 13 1HB ARG 13 -6.830 -14.233 1.182 78 HG2 ARG 13 2HG ARG 13 -5.675 -16.168 2.248 79 HG3 ARG 13 1HG ARG 13 -4.243 -15.149 2.421 80 HD2 ARG 13 2HD ARG 13 -5.430 -13.613 3.823 81 HD3 ARG 13 1HD ARG 13 -6.955 -14.447 3.527 82 HE ARG 13 HE ARG 13 -6.000 -16.350 4.777 83 HH11 ARG 13 1HH1 ARG 13 -4.553 -13.191 5.209 84 HH12 ARG 13 2HH1 ARG 13 -3.962 -13.529 6.805 85 HH21 ARG 13 1HH2 ARG 13 -5.242 -16.810 6.874 86 HH22 ARG 13 2HH2 ARG 13 -4.372 -15.588 7.767 87 H ILE 14 H ILE 14 -7.814 -14.572 -0.350 88 HA ILE 14 HA ILE 14 -7.525 -12.594 -2.509 89 HB ILE 14 HB ILE 14 -9.840 -14.500 -2.095 90 HG12 ILE 14 2HG1 ILE 14 -7.707 -15.406 -3.165 91 HG13 ILE 14 1HG1 ILE 14 -9.200 -15.611 -4.078 92 HG21 ILE 14 1HG2 ILE 14 -10.764 -13.523 -4.147 93 HG22 ILE 14 2HG2 ILE 14 -9.452 -12.345 -4.157 94 HG23 ILE 14 3HG2 ILE 14 -10.630 -12.339 -2.845 95 HD11 ILE 14 3HD1 ILE 14 -7.379 -14.939 -5.524 96 HD12 ILE 14 1HD1 ILE 14 -7.115 -13.494 -4.546 97 HD13 ILE 14 2HD1 ILE 14 -8.616 -13.683 -5.454 98 H LEU 15 H LEU 15 -7.268 -11.101 -0.688 99 HA LEU 15 HA LEU 15 -9.534 -10.702 1.071 100 HB2 LEU 15 2HB LEU 15 -6.988 -9.114 0.671 101 HB3 LEU 15 1HB LEU 15 -8.239 -8.660 1.817 102 HG LEU 15 HG LEU 15 -6.654 -9.705 3.139 103 HD11 LEU 15 1HD1 LEU 15 -8.587 -11.882 2.368 104 HD12 LEU 15 2HD1 LEU 15 -8.811 -10.657 3.619 105 HD13 LEU 15 3HD1 LEU 15 -7.565 -11.891 3.809 106 HD21 LEU 15 3HD2 LEU 15 -5.206 -10.480 1.372 107 HD22 LEU 15 1HD2 LEU 15 -6.328 -11.788 0.990 108 HD23 LEU 15 2HD2 LEU 15 -5.483 -11.771 2.541 109 H HIS 16 H HIS 16 -10.537 -8.471 1.185 110 HA HIS 16 HA HIS 16 -10.841 -7.444 -1.549 111 HB2 HIS 16 2HB HIS 16 -13.028 -8.351 0.302 112 HB3 HIS 16 1HB HIS 16 -13.315 -7.354 -1.115 113 HD1 HIS 16 1HD HIS 16 -14.560 -10.126 -0.835 114 HD2 HIS 16 2HD HIS 16 -10.942 -9.406 -2.731 115 HE1 HIS 16 1HE HIS 16 -14.345 -11.902 -2.521 116 HE2 HIS 16 2HE HIS 16 -12.277 -11.339 -3.856 117 HA PRO 17 HA PRO 17 -11.398 -3.365 0.311 118 HB2 PRO 17 2HB PRO 17 -13.376 -2.411 -1.347 119 HB3 PRO 17 1HB PRO 17 -11.661 -2.397 -1.765 120 HG2 PRO 17 2HG PRO 17 -13.799 -4.299 -2.598 121 HG3 PRO 17 1HG PRO 17 -12.452 -3.638 -3.542 122 HD2 PRO 17 2HD PRO 17 -12.428 -6.151 -2.518 123 HD3 PRO 17 1HD PRO 17 -10.952 -5.178 -2.710 124 H LYS 18 H LYS 18 -13.765 -5.715 -0.327 125 HA LYS 18 HA LYS 18 -15.973 -5.034 1.154 126 HB2 LYS 18 2HB LYS 18 -14.576 -7.701 0.836 127 HB3 LYS 18 1HB LYS 18 -16.189 -7.533 1.497 128 HG2 LYS 18 2HG LYS 18 -16.970 -6.615 -0.617 129 HG3 LYS 18 1HG LYS 18 -15.345 -6.724 -1.276 130 HD2 LYS 18 2HD LYS 18 -16.807 -8.564 -2.004 131 HD3 LYS 18 1HD LYS 18 -15.403 -9.127 -1.096 132 HE2 LYS 18 2HE LYS 18 -17.331 -10.346 -0.359 133 HE3 LYS 18 1HE LYS 18 -16.828 -9.255 0.928 134 HZ1 LYS 18 3HZ LYS 18 -19.111 -8.882 -0.938 135 HZ2 LYS 18 1HZ LYS 18 -18.569 -7.689 0.142 136 HZ3 LYS 18 2HZ LYS 18 -19.190 -9.153 0.735 137 H PHE 19 H PHE 19 -12.749 -5.662 2.251 138 HA PHE 19 HA PHE 19 -13.676 -5.538 5.049 139 HB2 PHE 19 2HB PHE 19 -11.386 -7.214 4.005 140 HB3 PHE 19 1HB PHE 19 -11.826 -7.029 5.698 141 HD1 PHE 19 1HD PHE 19 -14.043 -7.900 6.481 142 HD2 PHE 19 2HD PHE 19 -12.420 -8.812 2.653 143 HE1 PHE 19 1HE PHE 19 -15.542 -9.836 6.309 144 HE2 PHE 19 2HE PHE 19 -13.925 -10.748 2.471 145 HZ PHE 19 HZ PHE 19 -15.488 -11.266 4.300 146 H ILE 20 H ILE 20 -12.166 -3.777 2.819 147 HA ILE 20 HA ILE 20 -9.744 -3.252 4.376 148 HB ILE 20 HB ILE 20 -10.381 -2.764 1.506 149 HG12 ILE 20 2HG1 ILE 20 -9.558 -4.910 1.728 150 HG13 ILE 20 1HG1 ILE 20 -8.096 -3.991 1.461 151 HG21 ILE 20 1HG2 ILE 20 -8.192 -1.691 1.272 152 HG22 ILE 20 2HG2 ILE 20 -7.996 -1.730 3.025 153 HG23 ILE 20 3HG2 ILE 20 -9.275 -0.754 2.302 154 HD11 ILE 20 3HD1 ILE 20 -7.709 -3.954 3.902 155 HD12 ILE 20 1HD1 ILE 20 -7.671 -5.566 3.182 156 HD13 ILE 20 2HD1 ILE 20 -9.094 -5.037 4.078 157 H VAL 21 H VAL 21 -9.619 -1.538 5.608 158 HA VAL 21 HA VAL 21 -11.207 0.840 4.904 159 HB VAL 21 HB VAL 21 -11.045 1.515 7.273 160 HG11 VAL 21 1HG1 VAL 21 -13.034 0.376 6.562 161 HG12 VAL 21 2HG1 VAL 21 -12.600 -0.204 8.171 162 HG13 VAL 21 3HG1 VAL 21 -12.254 -1.194 6.752 163 HG21 VAL 21 3HG2 VAL 21 -10.324 -0.143 8.955 164 HG22 VAL 21 1HG2 VAL 21 -9.007 0.365 7.898 165 HG23 VAL 21 2HG2 VAL 21 -9.781 -1.199 7.649 166 H GLY 22 H GLY 22 -8.123 -0.435 4.982 167 HA2 GLY 22 2HA GLY 22 -6.916 2.199 4.667 168 HA3 GLY 22 1HA GLY 22 -6.296 1.206 5.980 169 H PHE 23 H PHE 23 -4.758 2.101 3.806 170 HA PHE 23 HA PHE 23 -3.791 -0.403 2.679 171 HB2 PHE 23 2HB PHE 23 -5.237 -0.143 0.973 172 HB3 PHE 23 1HB PHE 23 -5.405 1.588 1.211 173 HD1 PHE 23 2HD PHE 23 -3.377 -1.060 -0.274 174 HD2 PHE 23 1HD PHE 23 -4.031 3.113 0.120 175 HE1 PHE 23 2HE PHE 23 -1.850 -0.653 -2.157 176 HE2 PHE 23 1HE PHE 23 -2.505 3.530 -1.778 177 HZ PHE 23 HZ PHE 23 -1.424 1.620 -2.879 178 H THR 24 H THR 24 -1.686 -0.312 2.418 179 HA THR 24 HA THR 24 -0.339 2.272 2.158 180 HB THR 24 HB THR 24 0.589 0.111 4.054 181 HG1 THR 24 1HG THR 24 -0.134 2.618 5.035 182 HG21 THR 24 3HG2 THR 24 1.608 2.919 3.584 183 HG22 THR 24 1HG2 THR 24 2.398 1.429 3.061 184 HG23 THR 24 2HG2 THR 24 2.224 1.779 4.781 185 H ARG 25 H ARG 25 0.447 1.978 0.105 186 HA ARG 25 HA ARG 25 1.397 -0.618 -0.716 187 HB2 ARG 25 2HB ARG 25 1.971 0.504 -2.856 188 HB3 ARG 25 1HB ARG 25 0.288 0.696 -2.391 189 HG2 ARG 25 2HG ARG 25 0.932 2.968 -1.490 190 HG3 ARG 25 1HG ARG 25 2.488 2.741 -2.289 191 HD2 ARG 25 2HD ARG 25 -0.235 2.875 -3.568 192 HD3 ARG 25 1HD ARG 25 1.110 3.997 -3.764 193 HE ARG 25 HE ARG 25 1.890 1.411 -4.566 194 HH11 ARG 25 1HH1 ARG 25 -0.196 4.006 -5.591 195 HH12 ARG 25 2HH1 ARG 25 0.033 3.717 -7.289 196 HH21 ARG 25 1HH2 ARG 25 2.205 1.007 -6.830 197 HH22 ARG 25 2HH2 ARG 25 1.377 1.998 -7.985 198 H GLN 26 H GLN 26 3.045 -1.147 0.574 199 HA GLN 26 HA GLN 26 5.147 0.637 1.281 200 HB2 GLN 26 2HB GLN 26 4.164 -1.559 2.425 201 HB3 GLN 26 1HB GLN 26 5.456 -2.316 1.507 202 HG2 GLN 26 2HG GLN 26 7.112 -1.130 2.636 203 HG3 GLN 26 1HG GLN 26 5.957 0.026 3.290 204 HE21 GLN 26 1HE2 GLN 26 5.432 -3.406 3.192 205 HE22 GLN 26 2HE2 GLN 26 5.498 -3.671 4.900 206 H LEU 27 H LEU 27 6.787 1.188 0.011 207 HA LEU 27 HA LEU 27 7.391 -0.573 -2.261 208 HB2 LEU 27 2HB LEU 27 7.429 2.445 -2.141 209 HB3 LEU 27 1HB LEU 27 7.949 1.485 -3.514 210 HG LEU 27 HG LEU 27 5.136 1.555 -2.406 211 HD11 LEU 27 1HD1 LEU 27 6.280 2.752 -4.928 212 HD12 LEU 27 2HD1 LEU 27 5.757 3.645 -3.499 213 HD13 LEU 27 3HD1 LEU 27 4.579 2.749 -4.458 214 HD21 LEU 27 3HD2 LEU 27 4.560 0.282 -4.420 215 HD22 LEU 27 1HD2 LEU 27 5.686 -0.603 -3.391 216 HD23 LEU 27 2HD2 LEU 27 6.269 0.195 -4.850 217 H ALA 28 H ALA 28 9.549 -0.191 -3.203 218 HA ALA 28 HA ALA 28 11.493 -0.599 -1.163 219 HB1 ALA 28 1HB ALA 28 13.009 -1.029 -3.004 220 HB2 ALA 28 2HB ALA 28 11.850 -0.344 -4.145 221 HB3 ALA 28 3HB ALA 28 11.463 -1.834 -3.281 222 H ASN 29 H ASN 29 10.726 2.028 -3.349 223 HA ASN 29 HA ASN 29 13.157 3.421 -3.163 224 HB2 ASN 29 2HB ASN 29 11.922 5.351 -4.076 225 HB3 ASN 29 1HB ASN 29 11.590 3.867 -4.959 226 HD21 ASN 29 1HD2 ASN 29 9.529 2.970 -4.886 227 HD22 ASN 29 2HD2 ASN 29 8.178 3.840 -4.237 228 H GLU 30 H GLU 30 10.608 3.152 -0.873 229 HA GLU 30 HA GLU 30 11.370 5.630 0.464 230 HB2 GLU 30 2HB GLU 30 9.136 3.668 0.904 231 HB3 GLU 30 1HB GLU 30 9.490 4.954 2.050 232 HG2 GLU 30 2HG GLU 30 8.824 5.361 -0.855 233 HG3 GLU 30 1HG GLU 30 7.687 5.521 0.481 234 H GLY 31 H GLY 31 12.849 2.835 0.377 235 HA2 GLY 31 2HA GLY 31 14.649 3.018 2.203 236 HA3 GLY 31 1HA GLY 31 13.304 2.730 3.288 237 H CYS 32 H CYS 32 12.063 0.795 1.396 238 HA CYS 32 HA CYS 32 13.581 -1.463 2.351 239 HB2 CYS 32 2HB CYS 32 11.010 -1.208 2.361 240 HB3 CYS 32 1HB CYS 32 11.132 -1.770 0.690 241 H ASP 33 H ASP 33 13.133 -3.425 0.530 242 HA ASP 33 HA ASP 33 14.470 -2.477 -1.912 243 HB2 ASP 33 2HB ASP 33 16.002 -3.840 -0.575 244 HB3 ASP 33 1HB ASP 33 14.814 -5.140 -0.510 245 H ILE 34 H ILE 34 12.112 -4.690 -0.502 246 HA ILE 34 HA ILE 34 11.118 -5.240 -3.211 247 HB ILE 34 HB ILE 34 10.080 -7.208 -2.430 248 HG12 ILE 34 2HG1 ILE 34 10.642 -6.249 0.386 249 HG13 ILE 34 1HG1 ILE 34 9.057 -6.378 -0.372 250 HG21 ILE 34 1HG2 ILE 34 12.673 -6.945 -0.911 251 HG22 ILE 34 2HG2 ILE 34 12.525 -7.321 -2.634 252 HG23 ILE 34 3HG2 ILE 34 11.909 -8.454 -1.426 253 HD11 ILE 34 3HD1 ILE 34 9.289 -8.797 -0.472 254 HD12 ILE 34 1HD1 ILE 34 9.485 -8.212 1.180 255 HD13 ILE 34 2HD1 ILE 34 10.900 -8.683 0.236 256 H ASN 35 H ASN 35 8.449 -5.748 -2.773 257 HA ASN 35 HA ASN 35 7.460 -3.281 -1.553 258 HB2 ASN 35 2HB ASN 35 6.008 -3.027 -3.697 259 HB3 ASN 35 1HB ASN 35 7.672 -2.459 -3.709 260 HD21 ASN 35 1HD2 ASN 35 7.816 -2.600 -5.915 261 HD22 ASN 35 2HD2 ASN 35 7.942 -4.109 -6.749 262 H ALA 36 H ALA 36 5.991 -3.886 -0.171 263 HA ALA 36 HA ALA 36 4.155 -6.066 -0.906 264 HB1 ALA 36 1HB ALA 36 3.850 -6.478 1.476 265 HB2 ALA 36 2HB ALA 36 4.958 -5.159 1.856 266 HB3 ALA 36 3HB ALA 36 5.553 -6.600 1.028 267 H ILE 37 H ILE 37 2.156 -5.449 -1.328 268 HA ILE 37 HA ILE 37 1.290 -2.754 -0.760 269 HB ILE 37 HB ILE 37 -0.273 -5.024 -1.994 270 HG12 ILE 37 2HG1 ILE 37 1.768 -4.591 -3.282 271 HG13 ILE 37 1HG1 ILE 37 0.349 -4.051 -4.170 272 HG21 ILE 37 1HG2 ILE 37 -1.612 -3.195 -2.995 273 HG22 ILE 37 2HG2 ILE 37 -0.705 -2.044 -2.013 274 HG23 ILE 37 3HG2 ILE 37 -1.719 -3.259 -1.235 275 HD11 ILE 37 3HD1 ILE 37 0.814 -1.751 -3.571 276 HD12 ILE 37 1HD1 ILE 37 2.219 -2.482 -4.352 277 HD13 ILE 37 2HD1 ILE 37 2.196 -2.263 -2.600 278 H ILE 38 H ILE 38 0.849 -2.452 1.403 279 HA ILE 38 HA ILE 38 -0.343 -4.583 2.940 280 HB ILE 38 HB ILE 38 0.164 -1.747 3.830 281 HG12 ILE 38 2HG1 ILE 38 1.959 -4.178 3.983 282 HG13 ILE 38 1HG1 ILE 38 2.257 -2.697 3.081 283 HG21 ILE 38 1HG2 ILE 38 -1.382 -2.969 5.239 284 HG22 ILE 38 2HG2 ILE 38 0.154 -2.741 6.075 285 HG23 ILE 38 3HG2 ILE 38 -0.241 -4.305 5.365 286 HD11 ILE 38 3HD1 ILE 38 2.451 -1.441 5.137 287 HD12 ILE 38 1HD1 ILE 38 3.569 -2.806 5.138 288 HD13 ILE 38 2HD1 ILE 38 2.073 -2.890 6.077 289 H PHE 39 H PHE 39 -2.455 -4.969 2.693 290 HA PHE 39 HA PHE 39 -4.310 -2.698 2.637 291 HB2 PHE 39 2HB PHE 39 -4.812 -5.664 2.304 292 HB3 PHE 39 1HB PHE 39 -6.076 -4.445 2.315 293 HD1 PHE 39 1HD PHE 39 -5.114 -2.331 0.616 294 HD2 PHE 39 2HD PHE 39 -4.607 -6.543 0.231 295 HE1 PHE 39 1HE PHE 39 -4.873 -2.074 -1.824 296 HE2 PHE 39 2HE PHE 39 -4.353 -6.296 -2.198 297 HZ PHE 39 HZ PHE 39 -4.473 -4.082 -3.230 298 H HIS 40 H HIS 40 -5.251 -2.032 4.439 299 HA HIS 40 HA HIS 40 -4.798 -3.627 6.865 300 HB2 HIS 40 2HB HIS 40 -5.672 -0.729 6.694 301 HB3 HIS 40 1HB HIS 40 -5.133 -1.585 8.132 302 HD1 HIS 40 1HD HIS 40 -2.789 -1.020 8.755 303 HD2 HIS 40 2HD HIS 40 -3.411 -0.769 4.664 304 HE1 HIS 40 1HE HIS 40 -0.634 -0.146 7.777 305 HE2 HIS 40 2HE HIS 40 -1.162 0.286 5.369 306 H THR 41 H THR 41 -6.415 -4.872 7.423 307 HA THR 41 HA THR 41 -9.006 -4.613 6.285 308 HB THR 41 HB THR 41 -9.594 -6.535 7.760 309 HG1 THR 41 1HG THR 41 -6.849 -6.518 8.518 310 HG21 THR 41 3HG2 THR 41 -8.117 -8.142 6.665 311 HG22 THR 41 1HG2 THR 41 -7.010 -6.842 6.226 312 HG23 THR 41 2HG2 THR 41 -8.630 -6.894 5.530 313 H LYS 42 H LYS 42 -11.016 -4.529 7.463 314 HA LYS 42 HA LYS 42 -11.223 -2.523 9.413 315 HB2 LYS 42 2HB LYS 42 -13.558 -3.255 9.534 316 HB3 LYS 42 1HB LYS 42 -13.033 -3.114 7.872 317 HG2 LYS 42 2HG LYS 42 -12.697 -5.565 7.822 318 HG3 LYS 42 1HG LYS 42 -13.355 -5.656 9.456 319 HD2 LYS 42 2HD LYS 42 -14.826 -4.524 7.081 320 HD3 LYS 42 1HD LYS 42 -15.013 -6.170 7.677 321 HE2 LYS 42 2HE LYS 42 -15.501 -3.723 9.357 322 HE3 LYS 42 1HE LYS 42 -16.762 -4.543 8.442 323 HZ1 LYS 42 3HZ LYS 42 -15.108 -5.778 10.585 324 HZ2 LYS 42 1HZ LYS 42 -16.347 -6.547 9.713 325 HZ3 LYS 42 2HZ LYS 42 -16.711 -5.259 10.754 326 H LYS 43 H LYS 43 -9.985 -5.570 9.656 327 HA LYS 43 HA LYS 43 -10.879 -6.028 12.371 328 HB2 LYS 43 2HB LYS 43 -10.676 -7.887 10.634 329 HB3 LYS 43 1HB LYS 43 -8.931 -7.713 10.804 330 HG2 LYS 43 2HG LYS 43 -9.158 -8.197 13.216 331 HG3 LYS 43 1HG LYS 43 -10.882 -8.487 12.964 332 HD2 LYS 43 2HD LYS 43 -10.317 -10.284 11.374 333 HD3 LYS 43 1HD LYS 43 -8.604 -10.010 11.698 334 HE2 LYS 43 2HE LYS 43 -9.322 -11.872 13.016 335 HE3 LYS 43 1HE LYS 43 -9.044 -10.505 14.095 336 HZ1 LYS 43 3HZ LYS 43 -11.480 -10.081 13.983 337 HZ2 LYS 43 1HZ LYS 43 -11.069 -11.542 14.734 338 HZ3 LYS 43 2HZ LYS 43 -11.658 -11.540 13.143 339 H LYS 44 H LYS 44 -8.725 -4.147 10.909 340 HA LYS 44 HA LYS 44 -7.034 -2.829 11.647 341 HB2 LYS 44 2HB LYS 44 -6.998 -4.513 14.154 342 HB3 LYS 44 1HB LYS 44 -6.131 -3.004 13.913 343 HG2 LYS 44 2HG LYS 44 -8.271 -1.827 13.679 344 HG3 LYS 44 1HG LYS 44 -9.120 -3.349 13.956 345 HD2 LYS 44 2HD LYS 44 -7.305 -1.905 15.886 346 HD3 LYS 44 1HD LYS 44 -9.054 -2.105 16.015 347 HE2 LYS 44 2HE LYS 44 -6.968 -4.280 16.163 348 HE3 LYS 44 1HE LYS 44 -7.954 -3.665 17.486 349 HZ1 LYS 44 3HZ LYS 44 -9.929 -4.434 16.156 350 HZ2 LYS 44 1HZ LYS 44 -8.950 -5.660 16.802 351 HZ3 LYS 44 2HZ LYS 44 -8.840 -5.265 15.158 352 H LEU 45 H LEU 45 -6.884 -5.999 10.905 353 HA LEU 45 HA LEU 45 -4.049 -6.384 11.332 354 HB2 LEU 45 2HB LEU 45 -6.061 -8.029 9.794 355 HB3 LEU 45 1HB LEU 45 -4.393 -8.491 10.063 356 HG LEU 45 HG LEU 45 -6.522 -8.179 12.182 357 HD11 LEU 45 1HD1 LEU 45 -6.270 -10.591 12.441 358 HD12 LEU 45 2HD1 LEU 45 -5.090 -10.615 11.131 359 HD13 LEU 45 3HD1 LEU 45 -6.765 -10.181 10.800 360 HD21 LEU 45 3HD2 LEU 45 -4.316 -7.494 13.013 361 HD22 LEU 45 1HD2 LEU 45 -3.642 -9.032 12.471 362 HD23 LEU 45 2HD2 LEU 45 -4.856 -9.004 13.750 363 H SER 46 H SER 46 -2.569 -5.560 10.048 364 HA SER 46 HA SER 46 -3.297 -4.606 7.397 365 HB2 SER 46 2HB SER 46 -0.572 -4.445 8.670 366 HB3 SER 46 1HB SER 46 -1.262 -3.405 7.431 367 HG SER 46 HG SER 46 -1.958 -3.561 10.180 368 H VAL 47 H VAL 47 -3.332 -6.051 5.849 369 HA VAL 47 HA VAL 47 -1.658 -8.432 6.001 370 HB VAL 47 HB VAL 47 -3.797 -7.745 3.978 371 HG11 VAL 47 1HG1 VAL 47 -3.876 -10.142 3.581 372 HG12 VAL 47 2HG1 VAL 47 -2.596 -10.390 4.765 373 HG13 VAL 47 3HG1 VAL 47 -2.261 -9.508 3.274 374 HG21 VAL 47 3HG2 VAL 47 -5.323 -9.098 5.312 375 HG22 VAL 47 1HG2 VAL 47 -4.727 -7.719 6.241 376 HG23 VAL 47 2HG2 VAL 47 -4.064 -9.331 6.526 377 H CYS 48 H CYS 48 0.042 -8.837 4.643 378 HA CYS 48 HA CYS 48 0.890 -6.636 2.957 379 HB2 CYS 48 2HB CYS 48 2.357 -9.186 3.677 380 HB3 CYS 48 1HB CYS 48 3.048 -7.793 2.842 381 H ALA 49 H ALA 49 -0.363 -6.705 1.199 382 HA ALA 49 HA ALA 49 -1.078 -9.158 -0.085 383 HB1 ALA 49 1HB ALA 49 -1.522 -6.286 -0.902 384 HB2 ALA 49 2HB ALA 49 -2.622 -7.271 0.057 385 HB3 ALA 49 3HB ALA 49 -2.300 -7.695 -1.626 386 H ASN 50 H ASN 50 -0.489 -9.858 -2.128 387 HA ASN 50 HA ASN 50 2.237 -9.206 -2.855 388 HB2 ASN 50 2HB ASN 50 0.302 -11.234 -3.999 389 HB3 ASN 50 1HB ASN 50 1.973 -11.051 -4.514 390 HD21 ASN 50 1HD2 ASN 50 0.912 -10.778 -1.164 391 HD22 ASN 50 2HD2 ASN 50 1.670 -12.243 -0.645 392 HA PRO 51 HA PRO 51 0.895 -6.451 -6.089 393 HB2 PRO 51 2HB PRO 51 3.685 -6.587 -7.003 394 HB3 PRO 51 1HB PRO 51 2.756 -5.193 -6.439 395 HG2 PRO 51 2HG PRO 51 4.731 -6.271 -4.965 396 HG3 PRO 51 1HG PRO 51 3.281 -5.570 -4.227 397 HD2 PRO 51 2HD PRO 51 3.956 -8.450 -4.716 398 HD3 PRO 51 1HD PRO 51 3.217 -7.691 -3.283 399 H LYS 52 H LYS 52 1.575 -9.600 -6.317 400 HA LYS 52 HA LYS 52 2.043 -9.807 -9.185 401 HB2 LYS 52 2HB LYS 52 1.732 -11.927 -7.053 402 HB3 LYS 52 1HB LYS 52 2.143 -12.237 -8.734 403 HG2 LYS 52 2HG LYS 52 4.238 -11.018 -8.456 404 HG3 LYS 52 1HG LYS 52 3.814 -10.676 -6.775 405 HD2 LYS 52 2HD LYS 52 5.342 -12.576 -6.918 406 HD3 LYS 52 1HD LYS 52 3.767 -13.082 -6.302 407 HE2 LYS 52 2HE LYS 52 3.179 -13.753 -8.654 408 HE3 LYS 52 1HE LYS 52 4.864 -13.455 -9.082 409 HZ1 LYS 52 3HZ LYS 52 3.881 -15.430 -7.090 410 HZ2 LYS 52 1HZ LYS 52 5.516 -15.121 -7.430 411 HZ3 LYS 52 2HZ LYS 52 4.511 -15.782 -8.626 412 H GLN 53 H GLN 53 -0.585 -9.877 -6.988 413 HA GLN 53 HA GLN 53 -2.112 -11.724 -8.678 414 HB2 GLN 53 2HB GLN 53 -3.577 -11.762 -6.479 415 HB3 GLN 53 1HB GLN 53 -2.103 -12.718 -6.616 416 HG2 GLN 53 2HG GLN 53 -0.894 -10.791 -5.547 417 HG3 GLN 53 1HG GLN 53 -2.472 -10.092 -5.213 418 HE21 GLN 53 1HE2 GLN 53 -2.169 -10.154 -3.034 419 HE22 GLN 53 2HE2 GLN 53 -2.183 -11.632 -2.128 420 H THR 54 H THR 54 -4.198 -11.298 -9.317 421 HA THR 54 HA THR 54 -4.580 -8.641 -10.155 422 HB THR 54 HB THR 54 -6.913 -9.608 -10.833 423 HG1 THR 54 1HG THR 54 -5.703 -12.095 -10.901 424 HG21 THR 54 3HG2 THR 54 -4.325 -10.613 -12.021 425 HG22 THR 54 1HG2 THR 54 -5.112 -9.076 -12.386 426 HG23 THR 54 2HG2 THR 54 -5.893 -10.597 -12.830 427 H TRP 55 H TRP 55 -6.175 -10.517 -7.590 428 HA TRP 55 HA TRP 55 -8.199 -8.662 -7.067 429 HB2 TRP 55 2HB TRP 55 -8.550 -9.740 -4.991 430 HB3 TRP 55 1HB TRP 55 -8.110 -10.972 -6.157 431 HD1 TRP 55 HD TRP 55 -5.801 -12.183 -5.772 432 HE1 TRP 55 1HE TRP 55 -4.274 -12.372 -3.769 433 HE3 TRP 55 3HE TRP 55 -7.712 -8.451 -3.147 434 HZ2 TRP 55 2HZ TRP 55 -3.915 -11.019 -1.285 435 HZ3 TRP 55 3HZ TRP 55 -6.779 -7.915 -1.043 436 HH2 TRP 55 HH TRP 55 -4.938 -9.137 -0.063 437 H VAL 56 H VAL 56 -4.898 -8.809 -6.091 438 HA VAL 56 HA VAL 56 -4.978 -6.573 -4.339 439 HB VAL 56 HB VAL 56 -2.771 -8.039 -5.759 440 HG11 VAL 56 1HG1 VAL 56 -1.146 -6.622 -4.644 441 HG12 VAL 56 2HG1 VAL 56 -2.444 -5.606 -4.017 442 HG13 VAL 56 3HG1 VAL 56 -2.142 -5.685 -5.753 443 HG21 VAL 56 3HG2 VAL 56 -3.748 -9.069 -3.793 444 HG22 VAL 56 1HG2 VAL 56 -3.455 -7.603 -2.861 445 HG23 VAL 56 2HG2 VAL 56 -2.093 -8.550 -3.463 446 H LYS 57 H LYS 57 -3.957 -7.019 -7.711 447 HA LYS 57 HA LYS 57 -3.254 -4.399 -8.299 448 HB2 LYS 57 2HB LYS 57 -4.558 -6.417 -10.139 449 HB3 LYS 57 1HB LYS 57 -3.678 -4.985 -10.653 450 HG2 LYS 57 2HG LYS 57 -1.628 -5.899 -9.667 451 HG3 LYS 57 1HG LYS 57 -2.525 -7.330 -9.153 452 HD2 LYS 57 2HD LYS 57 -3.060 -7.821 -11.500 453 HD3 LYS 57 1HD LYS 57 -2.120 -6.413 -11.998 454 HE2 LYS 57 2HE LYS 57 -0.105 -7.399 -11.062 455 HE3 LYS 57 1HE LYS 57 -1.028 -8.788 -10.488 456 HZ1 LYS 57 3HZ LYS 57 -1.548 -9.332 -12.797 457 HZ2 LYS 57 1HZ LYS 57 0.128 -9.295 -12.543 458 HZ3 LYS 57 2HZ LYS 57 -0.649 -8.007 -13.334 459 H TYR 58 H TYR 58 -6.399 -5.959 -8.270 460 HA TYR 58 HA TYR 58 -7.841 -3.830 -9.418 461 HB2 TYR 58 2HB TYR 58 -8.922 -5.914 -9.463 462 HB3 TYR 58 1HB TYR 58 -8.601 -6.221 -7.760 463 HD1 TYR 58 2HD TYR 58 -10.333 -3.569 -9.771 464 HD2 TYR 58 1HD TYR 58 -10.435 -6.173 -6.414 465 HE1 TYR 58 2HE TYR 58 -12.551 -2.702 -9.174 466 HE2 TYR 58 1HE TYR 58 -12.650 -5.321 -5.810 467 HH TYR 58 HH TYR 58 -14.499 -3.316 -7.911 468 H ILE 59 H ILE 59 -7.449 -4.864 -6.005 469 HA ILE 59 HA ILE 59 -9.001 -2.777 -4.944 470 HB ILE 59 HB ILE 59 -6.792 -4.295 -3.553 471 HG12 ILE 59 2HG1 ILE 59 -9.772 -4.792 -3.559 472 HG13 ILE 59 1HG1 ILE 59 -8.615 -5.700 -4.522 473 HG21 ILE 59 1HG2 ILE 59 -9.095 -2.686 -2.450 474 HG22 ILE 59 2HG2 ILE 59 -7.386 -2.265 -2.359 475 HG23 ILE 59 3HG2 ILE 59 -7.993 -3.675 -1.495 476 HD11 ILE 59 3HD1 ILE 59 -7.528 -6.484 -2.498 477 HD12 ILE 59 1HD1 ILE 59 -9.241 -6.902 -2.509 478 HD13 ILE 59 2HD1 ILE 59 -8.667 -5.557 -1.520 479 H VAL 60 H VAL 60 -5.487 -3.070 -5.397 480 HA VAL 60 HA VAL 60 -4.834 -0.623 -4.152 481 HB VAL 60 HB VAL 60 -3.172 -2.429 -4.603 482 HG11 VAL 60 1HG1 VAL 60 -3.749 -3.019 -6.874 483 HG12 VAL 60 2HG1 VAL 60 -2.068 -2.489 -6.812 484 HG13 VAL 60 3HG1 VAL 60 -3.311 -1.406 -7.434 485 HG21 VAL 60 3HG2 VAL 60 -2.459 0.300 -5.669 486 HG22 VAL 60 1HG2 VAL 60 -1.305 -0.928 -5.150 487 HG23 VAL 60 2HG2 VAL 60 -2.412 -0.209 -3.981 488 H ARG 61 H ARG 61 -5.928 -1.401 -7.372 489 HA ARG 61 HA ARG 61 -5.179 1.029 -8.631 490 HB2 ARG 61 2HB ARG 61 -5.876 -1.114 -9.786 491 HB3 ARG 61 1HB ARG 61 -7.531 -0.729 -9.342 492 HG2 ARG 61 2HG ARG 61 -7.139 -0.067 -11.617 493 HG3 ARG 61 1HG ARG 61 -7.361 1.373 -10.619 494 HD2 ARG 61 2HD ARG 61 -5.498 1.589 -12.238 495 HD3 ARG 61 1HD ARG 61 -4.982 1.757 -10.561 496 HE ARG 61 HE ARG 61 -4.316 -0.679 -10.777 497 HH11 ARG 61 1HH1 ARG 61 -4.284 1.563 -13.463 498 HH12 ARG 61 2HH1 ARG 61 -3.088 0.667 -14.357 499 HH21 ARG 61 1HH2 ARG 61 -2.735 -1.834 -11.895 500 HH22 ARG 61 2HH2 ARG 61 -2.189 -1.276 -13.452 501 H LEU 62 H LEU 62 -8.140 -0.052 -7.005 502 HA LEU 62 HA LEU 62 -9.506 2.419 -7.464 503 HB2 LEU 62 2HB LEU 62 -10.086 0.107 -5.628 504 HB3 LEU 62 1HB LEU 62 -11.128 1.509 -5.768 505 HG LEU 62 HG LEU 62 -10.509 -0.525 -7.902 506 HD11 LEU 62 1HD1 LEU 62 -13.061 0.258 -6.501 507 HD12 LEU 62 2HD1 LEU 62 -12.140 -1.222 -6.234 508 HD13 LEU 62 3HD1 LEU 62 -12.920 -0.936 -7.791 509 HD21 LEU 62 3HD2 LEU 62 -12.142 2.002 -8.115 510 HD22 LEU 62 1HD2 LEU 62 -12.007 0.750 -9.350 511 HD23 LEU 62 2HD2 LEU 62 -10.593 1.704 -8.902 512 H LEU 63 H LEU 63 -7.538 1.080 -4.905 513 HA LEU 63 HA LEU 63 -8.131 3.111 -3.009 514 HB2 LEU 63 2HB LEU 63 -5.921 1.094 -3.202 515 HB3 LEU 63 1HB LEU 63 -6.021 2.258 -1.889 516 HG LEU 63 HG LEU 63 -8.203 0.280 -2.569 517 HD11 LEU 63 1HD1 LEU 63 -6.241 -0.894 -1.796 518 HD12 LEU 63 2HD1 LEU 63 -7.497 -0.914 -0.558 519 HD13 LEU 63 3HD1 LEU 63 -6.117 0.177 -0.402 520 HD21 LEU 63 3HD2 LEU 63 -7.817 2.089 -0.187 521 HD22 LEU 63 1HD2 LEU 63 -9.128 0.932 -0.409 522 HD23 LEU 63 2HD2 LEU 63 -8.989 2.323 -1.482 523 H SER 64 H SER 64 -5.643 2.696 -5.462 524 HA SER 64 HA SER 64 -4.601 5.370 -4.906 525 HB2 SER 64 2HB SER 64 -3.749 3.414 -7.058 526 HB3 SER 64 1HB SER 64 -2.883 4.860 -6.542 527 HG SER 64 HG SER 64 -3.380 2.526 -5.002 528 H LYS 65 H LYS 65 -7.043 5.811 -5.473 529 HA LYS 65 HA LYS 65 -7.732 5.877 -8.247 530 HB2 LYS 65 2HB LYS 65 -9.727 7.151 -7.464 531 HB3 LYS 65 1HB LYS 65 -9.491 5.630 -6.616 532 HG2 LYS 65 2HG LYS 65 -8.135 7.506 -5.078 533 HG3 LYS 65 1HG LYS 65 -9.608 8.323 -5.590 534 HD2 LYS 65 2HD LYS 65 -9.475 5.642 -4.215 535 HD3 LYS 65 1HD LYS 65 -9.890 7.165 -3.441 536 HE2 LYS 65 2HE LYS 65 -11.989 6.368 -3.846 537 HE3 LYS 65 1HE LYS 65 -11.714 7.243 -5.348 538 HZ1 LYS 65 3HZ LYS 65 -12.608 5.076 -5.815 539 HZ2 LYS 65 1HZ LYS 65 -11.379 4.319 -4.928 540 HZ3 LYS 65 2HZ LYS 65 -11.007 5.133 -6.360 541 H LYS 66 H LYS 66 -5.726 6.958 -8.862 542 HA LYS 66 HA LYS 66 -5.301 9.703 -8.071 543 HB2 LYS 66 2HB LYS 66 -3.509 7.959 -8.460 544 HB3 LYS 66 1HB LYS 66 -3.837 8.110 -10.178 545 HG2 LYS 66 2HG LYS 66 -3.115 10.394 -10.172 546 HG3 LYS 66 1HG LYS 66 -2.960 10.387 -8.413 547 HD2 LYS 66 2HD LYS 66 -1.173 8.770 -8.534 548 HD3 LYS 66 1HD LYS 66 -1.388 8.607 -10.276 549 HE2 LYS 66 2HE LYS 66 -0.687 10.892 -10.614 550 HE3 LYS 66 1HE LYS 66 -0.585 11.153 -8.874 551 HZ1 LYS 66 3HZ LYS 66 1.285 9.826 -8.703 552 HZ2 LYS 66 1HZ LYS 66 1.551 10.653 -10.158 553 HZ3 LYS 66 2HZ LYS 66 1.016 9.044 -10.183 554 H VAL 67 H VAL 67 -7.760 9.313 -9.405 555 HA VAL 67 HA VAL 67 -7.332 10.993 -11.782 556 HB VAL 67 HB VAL 67 -9.336 9.907 -12.822 557 HG11 VAL 67 1HG1 VAL 67 -7.110 9.336 -13.584 558 HG12 VAL 67 2HG1 VAL 67 -8.136 7.902 -13.595 559 HG13 VAL 67 3HG1 VAL 67 -6.952 8.128 -12.306 560 HG21 VAL 67 3HG2 VAL 67 -8.933 7.853 -10.646 561 HG22 VAL 67 1HG2 VAL 67 -10.018 7.692 -12.029 562 HG23 VAL 67 2HG2 VAL 67 -10.315 8.936 -10.813 563 H LYS 68 H LYS 68 -8.256 11.172 -8.807 564 HA LYS 68 HA LYS 68 -10.467 13.004 -9.368 565 HB2 LYS 68 2HB LYS 68 -11.435 10.860 -8.590 566 HB3 LYS 68 1HB LYS 68 -10.479 10.984 -7.119 567 HG2 LYS 68 2HG LYS 68 -11.665 12.999 -6.486 568 HG3 LYS 68 1HG LYS 68 -12.573 12.958 -7.996 569 HD2 LYS 68 2HD LYS 68 -13.495 10.751 -7.317 570 HD3 LYS 68 1HD LYS 68 -12.682 10.939 -5.761 571 HE2 LYS 68 2HE LYS 68 -13.965 12.921 -5.281 572 HE3 LYS 68 1HE LYS 68 -14.696 12.879 -6.885 573 HZ1 LYS 68 3HZ LYS 68 -15.626 10.654 -6.237 574 HZ2 LYS 68 1HZ LYS 68 -16.266 11.982 -5.393 575 HZ3 LYS 68 2HZ LYS 68 -15.121 10.977 -4.650 576 H ASN 69 H ASN 69 -10.594 14.758 -7.954 577 HA ASN 69 HA ASN 69 -8.113 15.402 -6.652 578 HB2 ASN 69 2HB ASN 69 -9.192 17.163 -7.890 579 HB3 ASN 69 1HB ASN 69 -10.682 16.958 -6.976 580 HD21 ASN 69 1HD2 ASN 69 -7.461 16.908 -5.564 581 HD22 ASN 69 2HD2 ASN 69 -7.656 18.355 -4.641 582 H MET 70 H MET 70 -7.659 14.868 -4.678 583 HA MET 70 HA MET 70 -9.567 15.353 -2.566 584 HB2 MET 70 2HB MET 70 -9.120 13.148 -1.484 585 HB3 MET 70 1HB MET 70 -10.037 13.034 -2.977 586 HG2 MET 70 2HG MET 70 -8.079 12.300 -4.178 587 HG3 MET 70 1HG MET 70 -7.080 12.531 -2.744 588 HE1 MET 70 3HE MET 70 -7.249 11.068 -0.577 589 HE2 MET 70 1HE MET 70 -8.406 9.760 -0.343 590 HE3 MET 70 2HE MET 70 -8.968 11.427 -0.437 Start of MODEL 20 1 H1 ALA 1 1HT ALA 1 17.718 8.121 5.211 2 H2 ALA 1 2HT ALA 1 18.386 7.098 4.040 3 H3 ALA 1 3HT ALA 1 19.354 7.700 5.295 4 HA ALA 1 HA ALA 1 18.782 5.410 5.714 5 HB1 ALA 1 1HB ALA 1 17.825 5.698 7.953 6 HB2 ALA 1 2HB ALA 1 17.363 7.350 7.541 7 HB3 ALA 1 3HB ALA 1 19.069 6.905 7.622 8 H SER 2 H SER 2 17.016 3.945 6.462 9 HA SER 2 HA SER 2 14.883 4.036 4.544 10 HB2 SER 2 2HB SER 2 15.328 2.096 6.827 11 HB3 SER 2 1HB SER 2 14.263 1.855 5.442 12 HG SER 2 HG SER 2 16.692 1.074 5.579 13 H ASN 3 H ASN 3 12.924 4.903 4.819 14 HA ASN 3 HA ASN 3 12.109 6.023 7.318 15 HB2 ASN 3 2HB ASN 3 10.612 5.583 4.726 16 HB3 ASN 3 1HB ASN 3 9.889 6.350 6.135 17 HD21 ASN 3 1HD2 ASN 3 10.357 7.433 3.481 18 HD22 ASN 3 2HD2 ASN 3 11.367 8.828 3.711 19 H PHE 4 H PHE 4 11.035 3.256 5.392 20 HA PHE 4 HA PHE 4 10.096 1.979 7.866 21 HB2 PHE 4 2HB PHE 4 8.223 0.981 6.596 22 HB3 PHE 4 1HB PHE 4 8.119 2.729 6.639 23 HD1 PHE 4 1HD PHE 4 8.752 -0.185 4.551 24 HD2 PHE 4 2HD PHE 4 8.400 4.053 4.640 25 HE1 PHE 4 1HE PHE 4 8.598 -0.156 2.101 26 HE2 PHE 4 2HE PHE 4 8.254 4.095 2.183 27 HZ PHE 4 HZ PHE 4 8.356 1.986 0.912 28 H ASP 5 H ASP 5 9.896 -0.397 7.593 29 HA ASP 5 HA ASP 5 11.509 -1.457 5.385 30 HB2 ASP 5 2HB ASP 5 12.127 -3.345 6.851 31 HB3 ASP 5 1HB ASP 5 12.715 -1.805 7.462 32 H CYS 6 H CYS 6 10.269 -2.432 3.983 33 HA CYS 6 HA CYS 6 7.609 -3.017 4.209 34 HB2 CYS 6 2HB CYS 6 8.383 -4.741 2.304 35 HB3 CYS 6 1HB CYS 6 8.261 -2.999 2.053 36 H CYS 7 H CYS 7 6.591 -5.131 3.900 37 HA CYS 7 HA CYS 7 6.960 -6.774 6.165 38 HB2 CYS 7 2HB CYS 7 4.804 -6.301 4.949 39 HB3 CYS 7 1HB CYS 7 5.363 -7.395 3.688 40 H LEU 8 H LEU 8 8.155 -8.573 6.429 41 HA LEU 8 HA LEU 8 9.990 -9.306 4.364 42 HB2 LEU 8 2HB LEU 8 9.491 -10.564 7.062 43 HB3 LEU 8 1HB LEU 8 10.830 -10.951 6.001 44 HG LEU 8 HG LEU 8 10.340 -8.312 7.377 45 HD11 LEU 8 1HD1 LEU 8 12.511 -10.375 7.719 46 HD12 LEU 8 2HD1 LEU 8 11.164 -10.109 8.825 47 HD13 LEU 8 3HD1 LEU 8 12.375 -8.847 8.592 48 HD21 LEU 8 3HD2 LEU 8 12.525 -9.149 5.474 49 HD22 LEU 8 1HD2 LEU 8 12.525 -7.667 6.431 50 HD23 LEU 8 2HD2 LEU 8 11.295 -7.917 5.193 51 H GLY 9 H GLY 9 6.878 -10.391 5.261 52 HA2 GLY 9 2HA GLY 9 7.169 -12.630 3.384 53 HA3 GLY 9 1HA GLY 9 6.470 -12.928 4.968 54 H TYR 10 H TYR 10 5.713 -12.401 1.826 55 HA TYR 10 HA TYR 10 3.474 -10.628 2.168 56 HB2 TYR 10 2HB TYR 10 4.143 -12.454 -0.150 57 HB3 TYR 10 1HB TYR 10 2.883 -11.244 -0.144 58 HD1 TYR 10 2HD TYR 10 6.519 -11.295 0.721 59 HD2 TYR 10 1HD TYR 10 3.357 -9.403 -1.422 60 HE1 TYR 10 2HE TYR 10 8.118 -9.660 -0.173 61 HE2 TYR 10 1HE TYR 10 4.954 -7.769 -2.322 62 HH TYR 10 HH TYR 10 7.076 -6.877 -2.008 63 H THR 11 H THR 11 1.294 -11.397 1.424 64 HA THR 11 HA THR 11 0.620 -13.762 2.983 65 HB THR 11 HB THR 11 -0.522 -11.489 3.250 66 HG1 THR 11 1HG THR 11 -1.430 -13.402 4.114 67 HG21 THR 11 3HG2 THR 11 -1.882 -12.393 0.708 68 HG22 THR 11 1HG2 THR 11 -0.840 -10.983 0.882 69 HG23 THR 11 2HG2 THR 11 -2.393 -11.040 1.720 70 H ASP 12 H ASP 12 -1.537 -14.802 1.976 71 HA ASP 12 HA ASP 12 -1.497 -14.999 -0.918 72 HB2 ASP 12 2HB ASP 12 0.077 -16.792 -0.191 73 HB3 ASP 12 1HB ASP 12 -1.198 -17.478 0.808 74 H ARG 13 H ARG 13 -3.459 -13.802 -0.332 75 HA ARG 13 HA ARG 13 -5.657 -15.583 0.470 76 HB2 ARG 13 2HB ARG 13 -5.494 -12.694 1.315 77 HB3 ARG 13 1HB ARG 13 -6.623 -13.923 1.874 78 HG2 ARG 13 2HG ARG 13 -4.306 -15.070 2.611 79 HG3 ARG 13 1HG ARG 13 -3.865 -13.365 2.730 80 HD2 ARG 13 2HD ARG 13 -4.684 -13.943 4.854 81 HD3 ARG 13 1HD ARG 13 -5.995 -13.062 4.070 82 HE ARG 13 HE ARG 13 -6.926 -15.348 3.532 83 HH11 ARG 13 1HH1 ARG 13 -4.859 -14.774 6.305 84 HH12 ARG 13 2HH1 ARG 13 -5.506 -16.098 7.224 85 HH21 ARG 13 1HH2 ARG 13 -7.764 -17.112 4.713 86 HH22 ARG 13 2HH2 ARG 13 -7.180 -17.428 6.320 87 H ILE 14 H ILE 14 -7.813 -14.365 0.077 88 HA ILE 14 HA ILE 14 -7.623 -12.515 -2.202 89 HB ILE 14 HB ILE 14 -9.761 -14.598 -1.738 90 HG12 ILE 14 2HG1 ILE 14 -7.572 -15.333 -2.782 91 HG13 ILE 14 1HG1 ILE 14 -9.022 -15.659 -3.732 92 HG21 ILE 14 1HG2 ILE 14 -10.793 -13.765 -3.809 93 HG22 ILE 14 2HG2 ILE 14 -9.617 -12.452 -3.847 94 HG23 ILE 14 3HG2 ILE 14 -10.781 -12.555 -2.526 95 HD11 ILE 14 3HD1 ILE 14 -7.078 -13.402 -4.144 96 HD12 ILE 14 1HD1 ILE 14 -8.560 -13.654 -5.066 97 HD13 ILE 14 2HD1 ILE 14 -7.258 -14.843 -5.153 98 H LEU 15 H LEU 15 -7.608 -10.788 -0.631 99 HA LEU 15 HA LEU 15 -9.983 -10.497 1.032 100 HB2 LEU 15 2HB LEU 15 -7.573 -8.694 0.714 101 HB3 LEU 15 1HB LEU 15 -8.921 -8.358 1.782 102 HG LEU 15 HG LEU 15 -7.324 -9.191 3.224 103 HD11 LEU 15 1HD1 LEU 15 -8.913 -11.609 2.384 104 HD12 LEU 15 2HD1 LEU 15 -9.388 -10.393 3.572 105 HD13 LEU 15 3HD1 LEU 15 -8.012 -11.451 3.894 106 HD21 LEU 15 3HD2 LEU 15 -5.687 -9.820 1.560 107 HD22 LEU 15 1HD2 LEU 15 -6.621 -11.262 1.150 108 HD23 LEU 15 2HD2 LEU 15 -5.879 -11.114 2.746 109 H HIS 16 H HIS 16 -11.166 -8.394 0.947 110 HA HIS 16 HA HIS 16 -11.260 -7.352 -1.804 111 HB2 HIS 16 2HB HIS 16 -13.626 -8.233 -0.153 112 HB3 HIS 16 1HB HIS 16 -13.727 -7.378 -1.686 113 HD1 HIS 16 1HD HIS 16 -14.968 -10.123 -1.211 114 HD2 HIS 16 2HD HIS 16 -11.202 -9.527 -2.854 115 HE1 HIS 16 1HE HIS 16 -14.567 -12.092 -2.619 116 HE2 HIS 16 2HE HIS 16 -12.465 -11.561 -3.909 117 HA PRO 17 HA PRO 17 -12.476 -3.339 0.074 118 HB2 PRO 17 2HB PRO 17 -15.096 -3.716 -1.297 119 HB3 PRO 17 1HB PRO 17 -14.026 -2.311 -1.296 120 HG2 PRO 17 2HG PRO 17 -14.211 -3.927 -3.427 121 HG3 PRO 17 1HG PRO 17 -12.680 -3.164 -2.967 122 HD2 PRO 17 2HD PRO 17 -13.554 -6.000 -2.656 123 HD3 PRO 17 1HD PRO 17 -11.927 -5.326 -2.907 124 H LYS 18 H LYS 18 -14.645 -6.088 -0.183 125 HA LYS 18 HA LYS 18 -16.361 -5.953 1.911 126 HB2 LYS 18 2HB LYS 18 -14.647 -8.242 0.951 127 HB3 LYS 18 1HB LYS 18 -15.833 -8.473 2.214 128 HG2 LYS 18 2HG LYS 18 -17.609 -7.835 0.676 129 HG3 LYS 18 1HG LYS 18 -16.416 -7.548 -0.591 130 HD2 LYS 18 2HD LYS 18 -15.771 -9.872 -0.551 131 HD3 LYS 18 1HD LYS 18 -16.840 -10.178 0.817 132 HE2 LYS 18 2HE LYS 18 -17.830 -9.178 -1.836 133 HE3 LYS 18 1HE LYS 18 -17.674 -10.893 -1.454 134 HZ1 LYS 18 3HZ LYS 18 -19.372 -8.916 -0.023 135 HZ2 LYS 18 1HZ LYS 18 -19.161 -10.537 0.447 136 HZ3 LYS 18 2HZ LYS 18 -19.904 -10.173 -1.032 137 H PHE 19 H PHE 19 -12.861 -6.303 2.123 138 HA PHE 19 HA PHE 19 -13.067 -6.447 5.059 139 HB2 PHE 19 2HB PHE 19 -11.152 -7.963 3.277 140 HB3 PHE 19 1HB PHE 19 -11.063 -7.926 5.033 141 HD1 PHE 19 2HD PHE 19 -12.731 -9.062 6.385 142 HD2 PHE 19 1HD PHE 19 -12.805 -9.277 2.137 143 HE1 PHE 19 2HE PHE 19 -14.262 -10.977 6.516 144 HE2 PHE 19 1HE PHE 19 -14.346 -11.196 2.253 145 HZ PHE 19 HZ PHE 19 -15.073 -12.049 4.450 146 H ILE 20 H ILE 20 -12.144 -4.479 2.650 147 HA ILE 20 HA ILE 20 -9.548 -3.788 3.813 148 HB ILE 20 HB ILE 20 -10.672 -3.610 1.116 149 HG12 ILE 20 2HG1 ILE 20 -8.330 -3.812 0.470 150 HG13 ILE 20 1HG1 ILE 20 -7.817 -3.475 2.116 151 HG21 ILE 20 1HG2 ILE 20 -10.727 -1.220 1.590 152 HG22 ILE 20 2HG2 ILE 20 -9.458 -1.602 0.427 153 HG23 ILE 20 3HG2 ILE 20 -9.041 -1.275 2.108 154 HD11 ILE 20 3HD1 ILE 20 -8.812 -5.550 2.867 155 HD12 ILE 20 1HD1 ILE 20 -7.657 -5.836 1.566 156 HD13 ILE 20 2HD1 ILE 20 -9.391 -5.880 1.234 157 H VAL 21 H VAL 21 -9.262 -2.028 5.004 158 HA VAL 21 HA VAL 21 -11.356 0.043 4.960 159 HB VAL 21 HB VAL 21 -11.172 -1.500 7.048 160 HG11 VAL 21 1HG1 VAL 21 -8.795 -1.385 7.391 161 HG12 VAL 21 2HG1 VAL 21 -9.623 -0.651 8.765 162 HG13 VAL 21 3HG1 VAL 21 -8.867 0.370 7.540 163 HG21 VAL 21 3HG2 VAL 21 -11.217 1.498 7.298 164 HG22 VAL 21 1HG2 VAL 21 -11.803 0.357 8.511 165 HG23 VAL 21 2HG2 VAL 21 -12.592 0.450 6.936 166 H GLY 22 H GLY 22 -8.167 -0.699 4.356 167 HA2 GLY 22 2HA GLY 22 -7.465 1.993 3.780 168 HA3 GLY 22 1HA GLY 22 -6.663 1.450 5.246 169 H PHE 23 H PHE 23 -5.393 2.196 2.804 170 HA PHE 23 HA PHE 23 -3.933 -0.296 2.227 171 HB2 PHE 23 2HB PHE 23 -5.227 -0.287 0.352 172 HB3 PHE 23 1HB PHE 23 -5.456 1.457 0.369 173 HD1 PHE 23 1HD PHE 23 -3.228 -1.273 -0.581 174 HD2 PHE 23 2HD PHE 23 -3.967 2.901 -0.708 175 HE1 PHE 23 1HE PHE 23 -1.512 -1.026 -2.319 176 HE2 PHE 23 2HE PHE 23 -2.246 3.154 -2.457 177 HZ PHE 23 HZ PHE 23 -1.048 1.171 -3.237 178 H THR 24 H THR 24 -1.814 -0.058 2.091 179 HA THR 24 HA THR 24 -0.633 2.587 1.688 180 HB THR 24 HB THR 24 0.194 0.786 3.971 181 HG1 THR 24 1HG THR 24 -1.492 3.049 3.808 182 HG21 THR 24 3HG2 THR 24 2.018 2.135 3.000 183 HG22 THR 24 1HG2 THR 24 1.608 2.660 4.636 184 HG23 THR 24 2HG2 THR 24 1.051 3.593 3.244 185 H ARG 25 H ARG 25 0.477 2.129 -0.193 186 HA ARG 25 HA ARG 25 1.596 -0.482 -0.575 187 HB2 ARG 25 2HB ARG 25 2.264 0.209 -2.757 188 HB3 ARG 25 1HB ARG 25 0.646 0.775 -2.450 189 HG2 ARG 25 2HG ARG 25 3.006 2.580 -2.165 190 HG3 ARG 25 1HG ARG 25 2.226 2.287 -3.716 191 HD2 ARG 25 2HD ARG 25 1.137 4.176 -3.023 192 HD3 ARG 25 1HD ARG 25 0.052 2.921 -2.425 193 HE ARG 25 HE ARG 25 1.842 3.414 -0.394 194 HH11 ARG 25 1HH1 ARG 25 -0.604 5.210 -2.155 195 HH12 ARG 25 2HH1 ARG 25 -0.877 6.354 -0.870 196 HH21 ARG 25 1HH2 ARG 25 1.488 4.913 1.291 197 HH22 ARG 25 2HH2 ARG 25 0.310 6.181 1.089 198 H GLN 26 H GLN 26 3.387 -1.162 0.214 199 HA GLN 26 HA GLN 26 5.358 0.692 1.239 200 HB2 GLN 26 2HB GLN 26 4.431 -1.862 1.958 201 HB3 GLN 26 1HB GLN 26 6.080 -2.106 1.400 202 HG2 GLN 26 2HG GLN 26 6.985 -0.818 3.051 203 HG3 GLN 26 1HG GLN 26 5.498 0.084 3.307 204 HE21 GLN 26 1HE2 GLN 26 5.513 -3.375 3.066 205 HE22 GLN 26 2HE2 GLN 26 5.178 -3.691 4.733 206 H LEU 27 H LEU 27 7.090 1.308 0.074 207 HA LEU 27 HA LEU 27 7.368 0.002 -2.538 208 HB2 LEU 27 2HB LEU 27 8.057 2.798 -1.665 209 HB3 LEU 27 1HB LEU 27 8.331 2.158 -3.273 210 HG LEU 27 HG LEU 27 5.632 2.486 -1.960 211 HD11 LEU 27 1HD1 LEU 27 6.646 4.626 -2.541 212 HD12 LEU 27 2HD1 LEU 27 5.280 4.261 -3.594 213 HD13 LEU 27 3HD1 LEU 27 6.928 4.055 -4.187 214 HD21 LEU 27 3HD2 LEU 27 5.716 0.595 -3.503 215 HD22 LEU 27 1HD2 LEU 27 6.353 1.649 -4.764 216 HD23 LEU 27 2HD2 LEU 27 4.724 1.904 -4.140 217 H ALA 28 H ALA 28 9.308 -0.495 -3.413 218 HA ALA 28 HA ALA 28 11.543 -0.864 -1.609 219 HB1 ALA 28 1HB ALA 28 12.527 -2.107 -3.463 220 HB2 ALA 28 2HB ALA 28 11.223 -1.572 -4.526 221 HB3 ALA 28 3HB ALA 28 10.871 -2.639 -3.166 222 H ASN 29 H ASN 29 11.230 1.778 -1.771 223 HA ASN 29 HA ASN 29 13.286 2.675 -3.679 224 HB2 ASN 29 2HB ASN 29 10.702 4.094 -2.994 225 HB3 ASN 29 1HB ASN 29 12.034 4.842 -3.871 226 HD21 ASN 29 1HD2 ASN 29 9.394 2.620 -4.018 227 HD22 ASN 29 2HD2 ASN 29 9.453 2.337 -5.720 228 H GLU 30 H GLU 30 11.437 3.948 -0.903 229 HA GLU 30 HA GLU 30 13.730 5.521 -0.113 230 HB2 GLU 30 2HB GLU 30 12.135 6.379 1.645 231 HB3 GLU 30 1HB GLU 30 11.662 6.661 -0.023 232 HG2 GLU 30 2HG GLU 30 10.189 4.659 0.133 233 HG3 GLU 30 1HG GLU 30 10.570 4.583 1.852 234 H GLY 31 H GLY 31 14.488 3.005 0.123 235 HA2 GLY 31 2HA GLY 31 16.007 2.509 2.045 236 HA3 GLY 31 1HA GLY 31 14.568 2.609 3.056 237 H CYS 32 H CYS 32 12.752 1.182 2.181 238 HA CYS 32 HA CYS 32 13.357 -1.497 2.419 239 HB2 CYS 32 2HB CYS 32 11.146 -0.982 2.804 240 HB3 CYS 32 1HB CYS 32 11.036 0.073 1.400 241 H ASP 33 H ASP 33 13.405 -3.247 0.910 242 HA ASP 33 HA ASP 33 14.077 -2.403 -1.828 243 HB2 ASP 33 2HB ASP 33 15.704 -4.166 -1.980 244 HB3 ASP 33 1HB ASP 33 16.037 -3.218 -0.536 245 H ILE 34 H ILE 34 11.826 -4.135 -0.034 246 HA ILE 34 HA ILE 34 11.031 -5.536 -2.493 247 HB ILE 34 HB ILE 34 10.127 -7.404 -1.254 248 HG12 ILE 34 2HG1 ILE 34 11.272 -6.075 1.217 249 HG13 ILE 34 1HG1 ILE 34 9.561 -6.276 0.852 250 HG21 ILE 34 1HG2 ILE 34 12.210 -8.434 -0.531 251 HG22 ILE 34 2HG2 ILE 34 12.972 -6.846 -0.443 252 HG23 ILE 34 3HG2 ILE 34 12.459 -7.494 -2.004 253 HD11 ILE 34 3HD1 ILE 34 9.827 -8.705 0.974 254 HD12 ILE 34 1HD1 ILE 34 10.306 -7.919 2.479 255 HD13 ILE 34 2HD1 ILE 34 11.537 -8.492 1.353 256 H ASN 35 H ASN 35 9.152 -4.822 -3.228 257 HA ASN 35 HA ASN 35 7.670 -3.015 -1.507 258 HB2 ASN 35 2HB ASN 35 6.439 -2.373 -3.545 259 HB3 ASN 35 1HB ASN 35 8.177 -2.259 -3.769 260 HD21 ASN 35 1HD2 ASN 35 9.201 -3.655 -5.205 261 HD22 ASN 35 2HD2 ASN 35 8.320 -4.617 -6.335 262 H ALA 36 H ALA 36 6.054 -3.615 -0.328 263 HA ALA 36 HA ALA 36 4.359 -5.864 -1.213 264 HB1 ALA 36 1HB ALA 36 5.701 -6.452 0.745 265 HB2 ALA 36 2HB ALA 36 3.982 -6.404 1.133 266 HB3 ALA 36 3HB ALA 36 5.034 -5.076 1.624 267 H ILE 37 H ILE 37 2.179 -5.581 -1.172 268 HA ILE 37 HA ILE 37 1.196 -2.878 -0.824 269 HB ILE 37 HB ILE 37 -0.189 -5.410 -1.724 270 HG12 ILE 37 2HG1 ILE 37 1.448 -4.618 -3.340 271 HG13 ILE 37 1HG1 ILE 37 -0.175 -4.312 -3.948 272 HG21 ILE 37 1HG2 ILE 37 -1.828 -4.007 -0.704 273 HG22 ILE 37 2HG2 ILE 37 -2.015 -3.894 -2.454 274 HG23 ILE 37 3HG2 ILE 37 -1.226 -2.592 -1.566 275 HD11 ILE 37 3HD1 ILE 37 1.278 -2.433 -4.398 276 HD12 ILE 37 1HD1 ILE 37 1.652 -2.285 -2.680 277 HD13 ILE 37 2HD1 ILE 37 0.015 -1.975 -3.254 278 H ILE 38 H ILE 38 0.690 -2.241 1.206 279 HA ILE 38 HA ILE 38 -0.131 -4.249 3.149 280 HB ILE 38 HB ILE 38 0.309 -1.296 3.607 281 HG12 ILE 38 2HG1 ILE 38 2.373 -2.319 2.813 282 HG13 ILE 38 1HG1 ILE 38 2.502 -1.967 4.531 283 HG21 ILE 38 1HG2 ILE 38 -1.075 -2.363 5.306 284 HG22 ILE 38 2HG2 ILE 38 0.504 -1.936 5.965 285 HG23 ILE 38 3HG2 ILE 38 0.151 -3.610 5.533 286 HD11 ILE 38 3HD1 ILE 38 3.478 -4.117 3.989 287 HD12 ILE 38 1HD1 ILE 38 1.932 -4.661 3.324 288 HD13 ILE 38 2HD1 ILE 38 2.072 -4.309 5.047 289 H PHE 39 H PHE 39 -2.217 -4.788 2.748 290 HA PHE 39 HA PHE 39 -4.221 -2.674 2.632 291 HB2 PHE 39 2HB PHE 39 -4.401 -5.670 2.359 292 HB3 PHE 39 1HB PHE 39 -5.833 -4.659 2.523 293 HD1 PHE 39 1HD PHE 39 -4.909 -2.323 0.844 294 HD2 PHE 39 2HD PHE 39 -4.711 -6.527 0.227 295 HE1 PHE 39 1HE PHE 39 -4.939 -1.960 -1.594 296 HE2 PHE 39 2HE PHE 39 -4.728 -6.180 -2.198 297 HZ PHE 39 HZ PHE 39 -4.834 -3.908 -3.112 298 H HIS 40 H HIS 40 -5.053 -1.893 4.404 299 HA HIS 40 HA HIS 40 -4.732 -3.324 6.927 300 HB2 HIS 40 2HB HIS 40 -5.995 -0.602 6.530 301 HB3 HIS 40 1HB HIS 40 -5.326 -1.271 8.014 302 HD1 HIS 40 1HD HIS 40 -2.974 -0.589 8.539 303 HD2 HIS 40 2HD HIS 40 -3.918 -0.122 4.518 304 HE1 HIS 40 1HE HIS 40 -0.999 0.592 7.484 305 HE2 HIS 40 2HE HIS 40 -1.699 1.056 5.129 306 H THR 41 H THR 41 -6.309 -4.645 7.561 307 HA THR 41 HA THR 41 -8.737 -4.690 6.023 308 HB THR 41 HB THR 41 -9.251 -6.734 7.383 309 HG1 THR 41 1HG THR 41 -6.564 -6.608 8.253 310 HG21 THR 41 3HG2 THR 41 -8.170 -6.865 5.191 311 HG22 THR 41 1HG2 THR 41 -7.563 -8.116 6.279 312 HG23 THR 41 2HG2 THR 41 -6.591 -6.677 5.959 313 H LYS 42 H LYS 42 -10.820 -4.859 6.911 314 HA LYS 42 HA LYS 42 -11.620 -3.068 8.891 315 HB2 LYS 42 2HB LYS 42 -13.040 -4.070 7.103 316 HB3 LYS 42 1HB LYS 42 -12.999 -5.600 7.962 317 HG2 LYS 42 2HG LYS 42 -14.131 -4.493 9.877 318 HG3 LYS 42 1HG LYS 42 -14.266 -3.033 8.893 319 HD2 LYS 42 2HD LYS 42 -15.392 -5.725 8.120 320 HD3 LYS 42 1HD LYS 42 -16.322 -4.434 8.883 321 HE2 LYS 42 2HE LYS 42 -14.831 -4.048 6.295 322 HE3 LYS 42 1HE LYS 42 -16.491 -4.637 6.346 323 HZ1 LYS 42 3HZ LYS 42 -17.196 -2.623 7.385 324 HZ2 LYS 42 1HZ LYS 42 -16.303 -2.206 6.009 325 HZ3 LYS 42 2HZ LYS 42 -15.600 -2.062 7.541 326 H LYS 43 H LYS 43 -9.869 -5.843 9.246 327 HA LYS 43 HA LYS 43 -10.790 -6.315 11.978 328 HB2 LYS 43 2HB LYS 43 -9.231 -8.099 10.104 329 HB3 LYS 43 1HB LYS 43 -9.541 -8.482 11.792 330 HG2 LYS 43 2HG LYS 43 -11.624 -8.107 9.647 331 HG3 LYS 43 1HG LYS 43 -11.090 -9.645 10.326 332 HD2 LYS 43 2HD LYS 43 -11.902 -8.924 12.540 333 HD3 LYS 43 1HD LYS 43 -12.471 -7.416 11.823 334 HE2 LYS 43 2HE LYS 43 -13.921 -8.739 10.317 335 HE3 LYS 43 1HE LYS 43 -13.416 -10.200 11.165 336 HZ1 LYS 43 3HZ LYS 43 -14.394 -9.403 13.173 337 HZ2 LYS 43 1HZ LYS 43 -15.555 -9.265 11.944 338 HZ3 LYS 43 2HZ LYS 43 -14.724 -7.887 12.488 339 H LYS 44 H LYS 44 -8.839 -4.291 10.713 340 HA LYS 44 HA LYS 44 -7.135 -3.040 11.536 341 HB2 LYS 44 2HB LYS 44 -7.109 -5.078 13.750 342 HB3 LYS 44 1HB LYS 44 -5.965 -3.748 13.669 343 HG2 LYS 44 2HG LYS 44 -7.944 -2.189 13.650 344 HG3 LYS 44 1HG LYS 44 -8.948 -3.599 14.006 345 HD2 LYS 44 2HD LYS 44 -7.607 -4.033 16.015 346 HD3 LYS 44 1HD LYS 44 -6.632 -2.609 15.664 347 HE2 LYS 44 2HE LYS 44 -8.267 -2.069 17.350 348 HE3 LYS 44 1HE LYS 44 -8.659 -1.214 15.858 349 HZ1 LYS 44 3HZ LYS 44 -10.558 -2.305 17.073 350 HZ2 LYS 44 1HZ LYS 44 -9.915 -3.797 16.589 351 HZ3 LYS 44 2HZ LYS 44 -10.428 -2.672 15.426 352 H LEU 45 H LEU 45 -6.764 -6.344 10.787 353 HA LEU 45 HA LEU 45 -3.958 -6.572 11.115 354 HB2 LEU 45 2HB LEU 45 -5.809 -8.163 9.340 355 HB3 LEU 45 1HB LEU 45 -4.170 -8.611 9.765 356 HG LEU 45 HG LEU 45 -6.455 -8.372 11.726 357 HD11 LEU 45 1HD1 LEU 45 -5.128 -10.802 10.537 358 HD12 LEU 45 2HD1 LEU 45 -6.767 -10.242 10.206 359 HD13 LEU 45 3HD1 LEU 45 -6.341 -10.815 11.817 360 HD21 LEU 45 3HD2 LEU 45 -4.903 -9.448 13.287 361 HD22 LEU 45 1HD2 LEU 45 -4.285 -7.893 12.732 362 HD23 LEU 45 2HD2 LEU 45 -3.633 -9.388 12.065 363 H SER 46 H SER 46 -2.461 -5.554 9.987 364 HA SER 46 HA SER 46 -2.972 -4.515 7.355 365 HB2 SER 46 2HB SER 46 -0.499 -3.898 7.506 366 HB3 SER 46 1HB SER 46 -1.548 -3.179 8.725 367 HG SER 46 HG SER 46 -0.035 -5.551 9.122 368 H VAL 47 H VAL 47 -3.196 -5.991 5.817 369 HA VAL 47 HA VAL 47 -1.744 -8.490 5.905 370 HB VAL 47 HB VAL 47 -3.720 -7.436 3.872 371 HG11 VAL 47 1HG1 VAL 47 -2.277 -9.128 2.898 372 HG12 VAL 47 2HG1 VAL 47 -3.904 -9.769 3.135 373 HG13 VAL 47 3HG1 VAL 47 -2.608 -10.213 4.250 374 HG21 VAL 47 3HG2 VAL 47 -4.726 -7.716 6.066 375 HG22 VAL 47 1HG2 VAL 47 -4.096 -9.360 6.166 376 HG23 VAL 47 2HG2 VAL 47 -5.313 -8.953 4.956 377 H CYS 48 H CYS 48 0.005 -9.009 4.710 378 HA CYS 48 HA CYS 48 1.225 -6.918 3.120 379 HB2 CYS 48 2HB CYS 48 2.294 -9.699 3.613 380 HB3 CYS 48 1HB CYS 48 3.193 -8.265 3.113 381 H ALA 49 H ALA 49 -0.463 -6.947 1.572 382 HA ALA 49 HA ALA 49 -1.100 -9.272 0.074 383 HB1 ALA 49 1HB ALA 49 -1.639 -6.349 -0.480 384 HB2 ALA 49 2HB ALA 49 -2.697 -7.452 0.399 385 HB3 ALA 49 3HB ALA 49 -2.390 -7.708 -1.320 386 H ASN 50 H ASN 50 -0.517 -9.847 -1.964 387 HA ASN 50 HA ASN 50 2.139 -8.979 -2.709 388 HB2 ASN 50 2HB ASN 50 0.364 -11.076 -3.979 389 HB3 ASN 50 1HB ASN 50 2.054 -10.795 -4.367 390 HD21 ASN 50 1HD2 ASN 50 0.733 -10.779 -1.090 391 HD22 ASN 50 2HD2 ASN 50 1.514 -12.244 -0.597 392 HA PRO 51 HA PRO 51 0.570 -6.114 -5.767 393 HB2 PRO 51 2HB PRO 51 3.350 -6.234 -6.760 394 HB3 PRO 51 1HB PRO 51 2.412 -4.844 -6.211 395 HG2 PRO 51 2HG PRO 51 4.412 -5.851 -4.731 396 HG3 PRO 51 1HG PRO 51 2.942 -5.192 -3.987 397 HD2 PRO 51 2HD PRO 51 3.724 -8.046 -4.444 398 HD3 PRO 51 1HD PRO 51 2.938 -7.305 -3.025 399 H LYS 52 H LYS 52 1.379 -9.217 -6.050 400 HA LYS 52 HA LYS 52 1.678 -9.429 -8.933 401 HB2 LYS 52 2HB LYS 52 1.674 -11.493 -6.720 402 HB3 LYS 52 1HB LYS 52 2.039 -11.826 -8.414 403 HG2 LYS 52 2HG LYS 52 3.992 -10.396 -8.305 404 HG3 LYS 52 1HG LYS 52 3.608 -9.963 -6.640 405 HD2 LYS 52 2HD LYS 52 5.350 -11.637 -6.665 406 HD3 LYS 52 1HD LYS 52 3.873 -12.328 -5.994 407 HE2 LYS 52 2HE LYS 52 3.407 -13.487 -8.028 408 HE3 LYS 52 1HE LYS 52 4.701 -12.640 -8.875 409 HZ1 LYS 52 3HZ LYS 52 5.124 -14.490 -6.587 410 HZ2 LYS 52 1HZ LYS 52 6.325 -13.759 -7.533 411 HZ3 LYS 52 2HZ LYS 52 5.301 -14.926 -8.217 412 H GLN 53 H GLN 53 -0.775 -9.622 -6.550 413 HA GLN 53 HA GLN 53 -2.340 -11.621 -8.000 414 HB2 GLN 53 2HB GLN 53 -3.477 -10.459 -5.551 415 HB3 GLN 53 1HB GLN 53 -3.248 -12.148 -5.993 416 HG2 GLN 53 2HG GLN 53 -0.884 -12.001 -5.337 417 HG3 GLN 53 1HG GLN 53 -1.108 -10.303 -4.957 418 HE21 GLN 53 1HE2 GLN 53 -2.131 -9.698 -3.120 419 HE22 GLN 53 2HE2 GLN 53 -2.504 -10.816 -1.856 420 H THR 54 H THR 54 -4.198 -11.149 -9.095 421 HA THR 54 HA THR 54 -4.656 -8.502 -9.919 422 HB THR 54 HB THR 54 -6.906 -9.531 -10.762 423 HG1 THR 54 1HG THR 54 -7.104 -11.635 -10.535 424 HG21 THR 54 3HG2 THR 54 -5.727 -10.452 -12.704 425 HG22 THR 54 1HG2 THR 54 -4.208 -10.396 -11.803 426 HG23 THR 54 2HG2 THR 54 -5.058 -8.898 -12.198 427 H TRP 55 H TRP 55 -6.238 -10.420 -7.403 428 HA TRP 55 HA TRP 55 -8.405 -8.693 -6.982 429 HB2 TRP 55 2HB TRP 55 -8.760 -9.753 -4.901 430 HB3 TRP 55 1HB TRP 55 -8.184 -10.985 -6.008 431 HD1 TRP 55 HD TRP 55 -5.850 -12.052 -5.458 432 HE1 TRP 55 1HE TRP 55 -4.377 -12.057 -3.409 433 HE3 TRP 55 3HE TRP 55 -8.015 -8.279 -3.102 434 HZ2 TRP 55 2HZ TRP 55 -4.161 -10.552 -0.993 435 HZ3 TRP 55 3HZ TRP 55 -7.177 -7.585 -1.008 436 HH2 TRP 55 HH TRP 55 -5.312 -8.660 0.088 437 H VAL 56 H VAL 56 -5.124 -8.639 -5.936 438 HA VAL 56 HA VAL 56 -5.308 -6.355 -4.257 439 HB VAL 56 HB VAL 56 -3.037 -7.761 -5.643 440 HG11 VAL 56 1HG1 VAL 56 -1.475 -6.252 -4.522 441 HG12 VAL 56 2HG1 VAL 56 -2.829 -5.252 -3.993 442 HG13 VAL 56 3HG1 VAL 56 -2.464 -5.410 -5.711 443 HG21 VAL 56 3HG2 VAL 56 -3.699 -7.273 -2.749 444 HG22 VAL 56 1HG2 VAL 56 -2.341 -8.220 -3.359 445 HG23 VAL 56 2HG2 VAL 56 -3.995 -8.769 -3.641 446 H LYS 57 H LYS 57 -4.311 -6.866 -7.618 447 HA LYS 57 HA LYS 57 -3.669 -4.243 -8.270 448 HB2 LYS 57 2HB LYS 57 -4.805 -6.409 -10.048 449 HB3 LYS 57 1HB LYS 57 -3.992 -4.955 -10.612 450 HG2 LYS 57 2HG LYS 57 -1.937 -5.642 -9.560 451 HG3 LYS 57 1HG LYS 57 -2.733 -7.052 -8.862 452 HD2 LYS 57 2HD LYS 57 -3.162 -7.907 -11.123 453 HD3 LYS 57 1HD LYS 57 -2.329 -6.507 -11.804 454 HE2 LYS 57 2HE LYS 57 -0.272 -7.167 -10.671 455 HE3 LYS 57 1HE LYS 57 -1.104 -8.541 -9.943 456 HZ1 LYS 57 3HZ LYS 57 -0.767 -8.143 -12.867 457 HZ2 LYS 57 1HZ LYS 57 -1.404 -9.520 -12.094 458 HZ3 LYS 57 2HZ LYS 57 0.236 -9.121 -11.909 459 H TYR 58 H TYR 58 -6.788 -5.871 -8.259 460 HA TYR 58 HA TYR 58 -8.259 -3.773 -9.425 461 HB2 TYR 58 2HB TYR 58 -9.465 -5.739 -9.377 462 HB3 TYR 58 1HB TYR 58 -8.922 -6.160 -7.755 463 HD1 TYR 58 2HD TYR 58 -10.784 -3.241 -9.219 464 HD2 TYR 58 1HD TYR 58 -10.666 -6.317 -6.281 465 HE1 TYR 58 2HE TYR 58 -12.893 -2.409 -8.269 466 HE2 TYR 58 1HE TYR 58 -12.773 -5.501 -5.333 467 HH TYR 58 HH TYR 58 -14.765 -3.229 -6.913 468 H ILE 59 H ILE 59 -7.797 -4.708 -6.008 469 HA ILE 59 HA ILE 59 -9.240 -2.577 -4.912 470 HB ILE 59 HB ILE 59 -7.019 -4.183 -3.648 471 HG12 ILE 59 2HG1 ILE 59 -10.025 -4.458 -3.428 472 HG13 ILE 59 1HG1 ILE 59 -9.001 -5.469 -4.430 473 HG21 ILE 59 1HG2 ILE 59 -7.336 -2.101 -2.434 474 HG22 ILE 59 2HG2 ILE 59 -7.991 -3.446 -1.500 475 HG23 ILE 59 3HG2 ILE 59 -9.076 -2.373 -2.379 476 HD11 ILE 59 3HD1 ILE 59 -8.831 -5.256 -1.441 477 HD12 ILE 59 1HD1 ILE 59 -7.860 -6.307 -2.473 478 HD13 ILE 59 2HD1 ILE 59 -9.602 -6.559 -2.347 479 H VAL 60 H VAL 60 -5.735 -2.942 -5.455 480 HA VAL 60 HA VAL 60 -5.001 -0.500 -4.273 481 HB VAL 60 HB VAL 60 -3.374 -2.288 -4.692 482 HG11 VAL 60 1HG1 VAL 60 -2.385 -2.528 -6.957 483 HG12 VAL 60 2HG1 VAL 60 -3.681 -1.513 -7.595 484 HG13 VAL 60 3HG1 VAL 60 -4.059 -3.072 -6.862 485 HG21 VAL 60 3HG2 VAL 60 -2.515 -0.071 -4.307 486 HG22 VAL 60 1HG2 VAL 60 -2.695 0.332 -6.016 487 HG23 VAL 60 2HG2 VAL 60 -1.521 -0.885 -5.517 488 H ARG 61 H ARG 61 -6.109 -1.234 -7.545 489 HA ARG 61 HA ARG 61 -5.359 1.208 -8.729 490 HB2 ARG 61 2HB ARG 61 -6.186 -0.746 -10.023 491 HB3 ARG 61 1HB ARG 61 -7.801 -0.456 -9.390 492 HG2 ARG 61 2HG ARG 61 -7.529 1.901 -10.387 493 HG3 ARG 61 1HG ARG 61 -6.206 1.187 -11.308 494 HD2 ARG 61 2HD ARG 61 -9.030 0.138 -11.272 495 HD3 ARG 61 1HD ARG 61 -8.386 1.221 -12.503 496 HE ARG 61 HE ARG 61 -6.677 -0.939 -12.436 497 HH11 ARG 61 1HH1 ARG 61 -10.088 -0.431 -12.980 498 HH12 ARG 61 2HH1 ARG 61 -10.235 -1.716 -14.140 499 HH21 ARG 61 1HH2 ARG 61 -6.863 -2.667 -13.963 500 HH22 ARG 61 2HH2 ARG 61 -8.423 -3.000 -14.671 501 H LEU 62 H LEU 62 -8.344 0.211 -7.099 502 HA LEU 62 HA LEU 62 -9.593 2.767 -7.326 503 HB2 LEU 62 2HB LEU 62 -10.157 0.300 -5.724 504 HB3 LEU 62 1HB LEU 62 -11.021 1.784 -5.379 505 HG LEU 62 HG LEU 62 -11.820 1.835 -7.730 506 HD11 LEU 62 1HD1 LEU 62 -10.061 0.562 -8.791 507 HD12 LEU 62 2HD1 LEU 62 -11.629 -0.189 -9.089 508 HD13 LEU 62 3HD1 LEU 62 -10.533 -0.879 -7.890 509 HD21 LEU 62 3HD2 LEU 62 -12.467 -0.676 -6.196 510 HD22 LEU 62 1HD2 LEU 62 -13.439 0.018 -7.492 511 HD23 LEU 62 2HD2 LEU 62 -13.222 0.904 -5.982 512 H LEU 63 H LEU 63 -7.718 1.144 -4.834 513 HA LEU 63 HA LEU 63 -7.937 3.185 -2.872 514 HB2 LEU 63 2HB LEU 63 -6.321 0.737 -3.269 515 HB3 LEU 63 1HB LEU 63 -5.694 1.926 -2.144 516 HG LEU 63 HG LEU 63 -7.053 0.082 -1.114 517 HD11 LEU 63 1HD1 LEU 63 -6.652 2.125 0.079 518 HD12 LEU 63 2HD1 LEU 63 -8.300 1.577 0.381 519 HD13 LEU 63 3HD1 LEU 63 -8.006 2.912 -0.734 520 HD21 LEU 63 3HD2 LEU 63 -9.336 1.507 -2.466 521 HD22 LEU 63 1HD2 LEU 63 -9.490 0.261 -1.227 522 HD23 LEU 63 2HD2 LEU 63 -8.787 -0.138 -2.797 523 H SER 64 H SER 64 -6.311 3.136 -5.789 524 HA SER 64 HA SER 64 -4.128 4.835 -4.913 525 HB2 SER 64 2HB SER 64 -3.669 3.164 -6.639 526 HB3 SER 64 1HB SER 64 -4.913 3.866 -7.674 527 HG SER 64 HG SER 64 -2.521 4.473 -7.912 528 H LYS 65 H LYS 65 -6.755 5.135 -7.346 529 HA LYS 65 HA LYS 65 -6.708 8.034 -6.850 530 HB2 LYS 65 2HB LYS 65 -6.553 6.734 -9.571 531 HB3 LYS 65 1HB LYS 65 -6.772 8.455 -9.290 532 HG2 LYS 65 2HG LYS 65 -4.594 8.478 -8.099 533 HG3 LYS 65 1HG LYS 65 -4.374 6.789 -8.563 534 HD2 LYS 65 2HD LYS 65 -3.188 8.171 -10.129 535 HD3 LYS 65 1HD LYS 65 -4.593 7.484 -10.946 536 HE2 LYS 65 2HE LYS 65 -4.412 9.799 -11.558 537 HE3 LYS 65 1HE LYS 65 -5.812 9.605 -10.503 538 HZ1 LYS 65 3HZ LYS 65 -4.443 10.390 -8.639 539 HZ2 LYS 65 1HZ LYS 65 -4.561 11.545 -9.873 540 HZ3 LYS 65 2HZ LYS 65 -3.142 10.641 -9.702 541 H LYS 66 H LYS 66 -8.673 5.807 -6.246 542 HA LYS 66 HA LYS 66 -10.963 7.104 -7.575 543 HB2 LYS 66 2HB LYS 66 -10.824 4.815 -8.342 544 HB3 LYS 66 1HB LYS 66 -10.697 4.226 -6.692 545 HG2 LYS 66 2HG LYS 66 -12.921 3.892 -7.738 546 HG3 LYS 66 1HG LYS 66 -12.962 4.802 -6.228 547 HD2 LYS 66 2HD LYS 66 -14.442 5.830 -7.834 548 HD3 LYS 66 1HD LYS 66 -13.073 6.899 -7.529 549 HE2 LYS 66 2HE LYS 66 -12.016 6.042 -9.614 550 HE3 LYS 66 1HE LYS 66 -13.478 5.104 -9.923 551 HZ1 LYS 66 3HZ LYS 66 -13.553 7.174 -11.136 552 HZ2 LYS 66 1HZ LYS 66 -13.310 8.060 -9.706 553 HZ3 LYS 66 2HZ LYS 66 -14.744 7.182 -9.927 554 H VAL 67 H VAL 67 -12.081 8.327 -6.244 555 HA VAL 67 HA VAL 67 -12.073 7.679 -3.374 556 HB VAL 67 HB VAL 67 -12.073 10.451 -4.590 557 HG11 VAL 67 1HG1 VAL 67 -11.835 9.569 -1.717 558 HG12 VAL 67 2HG1 VAL 67 -13.253 10.314 -2.454 559 HG13 VAL 67 3HG1 VAL 67 -11.754 11.230 -2.300 560 HG21 VAL 67 3HG2 VAL 67 -9.794 10.653 -3.705 561 HG22 VAL 67 1HG2 VAL 67 -9.914 9.374 -4.915 562 HG23 VAL 67 2HG2 VAL 67 -9.847 8.964 -3.202 563 H LYS 68 H LYS 68 -14.019 7.429 -2.519 564 HA LYS 68 HA LYS 68 -16.318 8.777 -3.724 565 HB2 LYS 68 2HB LYS 68 -15.849 5.869 -3.598 566 HB3 LYS 68 1HB LYS 68 -17.438 6.393 -3.060 567 HG2 LYS 68 2HG LYS 68 -17.828 7.482 -5.186 568 HG3 LYS 68 1HG LYS 68 -16.209 7.044 -5.733 569 HD2 LYS 68 2HD LYS 68 -17.991 5.549 -6.602 570 HD3 LYS 68 1HD LYS 68 -16.760 4.704 -5.663 571 HE2 LYS 68 2HE LYS 68 -19.027 3.919 -5.132 572 HE3 LYS 68 1HE LYS 68 -18.240 4.645 -3.734 573 HZ1 LYS 68 3HZ LYS 68 -20.241 5.992 -5.477 574 HZ2 LYS 68 1HZ LYS 68 -19.507 6.662 -4.105 575 HZ3 LYS 68 2HZ LYS 68 -20.549 5.340 -3.948 576 H ASN 69 H ASN 69 -15.513 6.480 -1.118 577 HA ASN 69 HA ASN 69 -17.461 7.918 0.552 578 HB2 ASN 69 2HB ASN 69 -17.644 5.834 1.870 579 HB3 ASN 69 1HB ASN 69 -18.105 5.619 0.184 580 HD21 ASN 69 1HD2 ASN 69 -15.762 4.860 2.639 581 HD22 ASN 69 2HD2 ASN 69 -14.959 3.610 1.758 582 H MET 70 H MET 70 -17.059 8.430 2.637 583 HA MET 70 HA MET 70 -14.558 7.779 3.927 584 HB2 MET 70 2HB MET 70 -14.059 9.831 2.534 585 HB3 MET 70 1HB MET 70 -15.263 10.693 3.475 586 HG2 MET 70 2HG MET 70 -12.862 9.364 4.704 587 HG3 MET 70 1HG MET 70 -12.859 11.036 4.151 588 HE1 MET 70 3HE MET 70 -12.028 11.723 6.621 589 HE2 MET 70 1HE MET 70 -12.113 10.038 7.137 590 HE3 MET 70 2HE MET 70 -12.904 11.293 8.091
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