NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11425 | 1rhw | 6096 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H MET 1 -13.215 19.737 -12.667 2 HA MET 1 HA MET 1 -13.825 18.270 -14.453 3 1HB MET 1 1HB MET 1 -10.988 17.620 -14.147 4 2HB MET 1 2HB MET 1 -11.929 16.147 -14.021 5 1HG MET 1 1HG MET 1 -12.841 17.914 -16.221 6 2HG MET 1 2HG MET 1 -11.178 17.394 -16.407 7 1HE MET 1 1HE MET 1 -12.198 16.740 -18.452 8 2HE MET 1 2HE MET 1 -11.923 14.992 -18.640 9 3HE MET 1 3HE MET 1 -13.581 15.639 -18.656 10 H SER 2 H SER 2 -13.967 15.530 -13.996 11 HA SER 2 HA SER 2 -15.189 15.546 -11.378 12 1HB SER 2 1HB SER 2 -15.512 13.923 -13.892 13 2HB SER 2 2HB SER 2 -15.939 13.159 -12.373 14 HG SER 2 HG SER 2 -17.788 14.205 -13.232 15 H ASP 3 H ASP 3 -13.178 15.398 -10.137 16 HA ASP 3 HA ASP 3 -11.220 13.551 -10.593 17 1HB ASP 3 1HB ASP 3 -12.188 14.435 -7.839 18 2HB ASP 3 2HB ASP 3 -10.568 13.918 -8.263 19 HD2 ASP 3 HD ASP 3 -9.287 15.346 -9.264 20 H ARG 4 H ARG 4 -10.948 12.010 -8.190 21 HA ARG 4 HA ARG 4 -13.387 10.479 -8.019 22 1HB ARG 4 1HB ARG 4 -10.716 9.456 -9.031 23 2HB ARG 4 2HB ARG 4 -11.763 8.364 -8.148 24 1HG ARG 4 1HG ARG 4 -13.544 8.595 -9.759 25 2HG ARG 4 2HG ARG 4 -12.798 9.995 -10.501 26 1HD ARG 4 1HD ARG 4 -10.774 8.295 -10.938 27 2HD ARG 4 2HD ARG 4 -12.024 7.082 -10.748 28 HE ARG 4 HE ARG 4 -12.973 7.752 -12.788 29 1HH1 ARG 4 2HH2 ARG 4 -10.655 10.210 -11.722 30 2HH1 ARG 4 1HH2 ARG 4 -10.716 11.092 -13.211 31 1HH2 ARG 4 1HH ARG 4 -12.133 10.313 -14.980 32 H LYS 5 H LYS 5 -10.032 9.534 -7.086 33 HA LYS 5 HA LYS 5 -10.073 10.593 -4.509 34 1HB LYS 5 1HB LYS 5 -11.950 8.646 -4.607 35 2HB LYS 5 2HB LYS 5 -10.546 7.673 -4.216 36 1HG LYS 5 1HG LYS 5 -10.914 8.298 -2.056 37 2HG LYS 5 2HG LYS 5 -10.208 9.836 -2.509 38 1HD LYS 5 1HD LYS 5 -12.822 10.156 -3.384 39 2HD LYS 5 2HD LYS 5 -13.052 9.146 -1.971 40 1HE LYS 5 1HE LYS 5 -12.156 10.752 -0.495 41 2HE LYS 5 2HE LYS 5 -11.205 11.530 -1.746 42 1HZ LYS 5 1HZ LYS 5 -13.549 12.085 -2.723 43 H ALA 6 H ALA 6 -8.699 8.258 -3.278 44 HA ALA 6 HA ALA 6 -6.125 8.810 -4.005 45 1HB ALA 6 1HB ALA 6 -6.351 7.693 -1.985 46 2HB ALA 6 2HB ALA 6 -5.793 6.364 -3.030 47 3HB ALA 6 3HB ALA 6 -7.522 6.523 -2.639 48 H VAL 7 H VAL 7 -5.067 8.569 -5.904 49 HA VAL 7 HA VAL 7 -6.128 6.853 -7.919 50 HB VAL 7 HB VAL 7 -3.556 8.439 -7.778 51 1HG1 VAL 7 1HG1 VAL 7 -3.314 6.822 -9.506 52 2HG1 VAL 7 2HG1 VAL 7 -3.762 8.347 -10.308 53 3HG1 VAL 7 3HG1 VAL 7 -4.982 7.073 -10.075 54 1HG2 VAL 7 1HG2 VAL 7 -4.666 10.301 -8.449 55 2HG2 VAL 7 2HG2 VAL 7 -6.039 9.502 -7.646 56 3HG2 VAL 7 3HG2 VAL 7 -5.849 9.384 -9.412 57 H ILE 8 H ILE 8 -4.626 5.258 -9.097 58 HA ILE 8 HA ILE 8 -2.816 3.936 -7.227 59 HB ILE 8 HB ILE 8 -5.349 2.846 -8.341 60 1HG1 ILE 8 1HG1 ILE 8 -4.884 1.478 -6.089 61 2HG1 ILE 8 2HG1 ILE 8 -3.859 2.860 -5.752 62 1HG2 ILE 8 1HG2 ILE 8 -2.786 1.261 -8.098 63 2HG2 ILE 8 2HG2 ILE 8 -3.875 1.404 -9.499 64 3HG2 ILE 8 3HG2 ILE 8 -4.402 0.515 -8.049 65 1HD1 ILE 8 1HD1 ILE 8 -6.464 2.872 -5.126 66 2HD1 ILE 8 2HD1 ILE 8 -6.622 3.409 -6.816 67 3HD1 ILE 8 3HD1 ILE 8 -5.641 4.354 -5.669 68 H LYS 9 H LYS 9 -0.913 3.456 -8.195 69 HA LYS 9 HA LYS 9 -0.780 3.845 -11.067 70 1HB LYS 9 1HB LYS 9 1.254 3.715 -8.845 71 2HB LYS 9 2HB LYS 9 1.742 3.586 -10.523 72 1HG LYS 9 1HG LYS 9 1.099 5.782 -11.034 73 2HG LYS 9 2HG LYS 9 -0.130 5.831 -9.784 74 1HD LYS 9 1HD LYS 9 2.434 5.438 -8.504 75 2HD LYS 9 2HD LYS 9 2.592 6.763 -9.640 76 1HE LYS 9 1HE LYS 9 0.076 6.873 -8.076 77 2HE LYS 9 2HE LYS 9 1.511 6.950 -7.073 78 1HZ LYS 9 1HZ LYS 9 1.717 9.078 -7.708 79 H ASN 10 H ASN 10 1.129 1.547 -9.057 80 HA ASN 10 HA ASN 10 0.273 -0.503 -10.940 81 1HB ASN 10 1HB ASN 10 2.845 0.310 -10.341 82 2HB ASN 10 2HB ASN 10 2.653 -0.992 -9.182 83 1HD2 ASN 10 2HD2 ASN 10 2.295 -3.097 -9.869 84 2HD2 ASN 10 1HD2 ASN 10 2.632 -3.633 -11.482 85 H ALA 11 H ALA 11 -0.457 -2.542 -10.056 86 HA ALA 11 HA ALA 11 -0.405 -2.839 -7.164 87 1HB ALA 11 1HB ALA 11 -3.040 -3.524 -8.141 88 2HB ALA 11 2HB ALA 11 -2.669 -1.831 -8.549 89 3HB ALA 11 3HB ALA 11 -2.581 -2.379 -6.857 90 H ASP 12 H ASP 12 -1.474 -4.148 -10.371 91 HA ASP 12 HA ASP 12 -1.587 -6.193 -11.126 92 1HB ASP 12 1HB ASP 12 1.113 -5.914 -9.874 93 2HB ASP 12 2HB ASP 12 0.644 -7.558 -10.259 94 HD2 ASP 12 HD ASP 12 0.359 -7.825 -12.930 95 H MET 13 H MET 13 -3.448 -6.622 -9.538 96 HA MET 13 HA MET 13 -2.988 -9.045 -8.206 97 1HB MET 13 1HB MET 13 -2.540 -6.646 -6.676 98 2HB MET 13 2HB MET 13 -4.071 -7.295 -6.124 99 1HG MET 13 1HG MET 13 -2.831 -9.596 -5.982 100 2HG MET 13 2HG MET 13 -1.353 -8.665 -6.121 101 1HE MET 13 1HE MET 13 -0.853 -6.957 -2.869 102 2HE MET 13 2HE MET 13 -0.202 -7.615 -4.389 103 3HE MET 13 3HE MET 13 -1.273 -6.194 -4.420 104 H SER 14 H SER 14 -5.164 -9.360 -6.608 105 HA SER 14 HA SER 14 -7.285 -8.942 -8.503 106 1HB SER 14 1HB SER 14 -6.900 -11.181 -7.450 107 2HB SER 14 2HB SER 14 -7.248 -10.494 -5.876 108 HG SER 14 HG SER 14 -9.359 -9.771 -7.165 109 H GLU 15 H GLU 15 -9.186 -7.723 -8.084 110 HA GLU 15 HA GLU 15 -8.946 -5.486 -6.596 111 1HB GLU 15 1HB GLU 15 -10.836 -6.520 -8.298 112 2HB GLU 15 2HB GLU 15 -11.715 -6.579 -6.784 113 1HG GLU 15 1HG GLU 15 -11.882 -4.295 -6.637 114 2HG GLU 15 2HG GLU 15 -10.236 -4.039 -7.183 115 HE2 GLU 15 HE GLU 15 -13.424 -4.335 -8.101 116 H GLU 16 H GLU 16 -9.564 -8.736 -5.491 117 HA GLU 16 HA GLU 16 -11.024 -8.202 -3.213 118 1HB GLU 16 1HB GLU 16 -9.210 -10.412 -4.139 119 2HB GLU 16 2HB GLU 16 -9.631 -10.381 -2.438 120 1HG GLU 16 1HG GLU 16 -11.618 -10.375 -4.759 121 2HG GLU 16 2HG GLU 16 -11.241 -11.754 -3.745 122 HE2 GLU 16 HE GLU 16 -14.242 -10.128 -2.506 123 H MET 17 H MET 17 -7.443 -8.840 -3.451 124 HA MET 17 HA MET 17 -7.081 -7.743 -0.851 125 1HB MET 17 1HB MET 17 -4.886 -8.349 -2.885 126 2HB MET 17 2HB MET 17 -4.788 -8.464 -1.140 127 1HG MET 17 1HG MET 17 -6.266 -10.320 -3.050 128 2HG MET 17 2HG MET 17 -4.970 -10.730 -1.943 129 1HE MET 17 1HE MET 17 -6.592 -12.758 -0.325 130 2HE MET 17 2HE MET 17 -8.262 -12.517 -0.893 131 3HE MET 17 3HE MET 17 -6.914 -12.489 -2.055 132 H GLN 18 H GLN 18 -6.806 -6.650 -4.220 133 HA GLN 18 HA GLN 18 -5.148 -4.466 -3.705 134 1HB GLN 18 1HB GLN 18 -5.673 -5.541 -5.963 135 2HB GLN 18 2HB GLN 18 -7.217 -4.713 -5.927 136 1HG GLN 18 1HG GLN 18 -5.013 -2.870 -5.314 137 2HG GLN 18 2HG GLN 18 -4.759 -3.668 -6.853 138 1HE2 GLN 18 2HE2 GLN 18 -5.130 -1.893 -8.094 139 2HE2 GLN 18 1HE2 GLN 18 -6.680 -1.147 -8.298 140 H GLN 19 H GLN 19 -8.743 -4.847 -3.910 141 HA GLN 19 HA GLN 19 -9.210 -2.117 -3.425 142 1HB GLN 19 1HB GLN 19 -10.764 -3.850 -4.547 143 2HB GLN 19 2HB GLN 19 -11.168 -4.393 -2.930 144 1HG GLN 19 1HG GLN 19 -11.614 -1.617 -4.110 145 2HG GLN 19 2HG GLN 19 -12.838 -2.760 -3.593 146 1HE2 GLN 19 2HE2 GLN 19 -11.403 0.013 -2.799 147 2HE2 GLN 19 1HE2 GLN 19 -11.508 0.001 -1.070 148 H ASP 20 H ASP 20 -9.253 -5.104 -1.383 149 HA ASP 20 HA ASP 20 -10.165 -3.893 0.912 150 1HB ASP 20 1HB ASP 20 -9.831 -6.394 0.404 151 2HB ASP 20 2HB ASP 20 -8.132 -6.163 0.767 152 HD2 ASP 20 HD ASP 20 -10.716 -7.316 1.973 153 H ALA 21 H ALA 21 -6.828 -4.459 -0.393 154 HA ALA 21 HA ALA 21 -5.445 -3.441 1.820 155 1HB ALA 21 1HB ALA 21 -4.429 -4.874 0.103 156 2HB ALA 21 2HB ALA 21 -3.551 -3.331 0.218 157 3HB ALA 21 3HB ALA 21 -4.684 -3.611 -1.125 158 H VAL 22 H VAL 22 -6.105 -1.905 -1.416 159 HA VAL 22 HA VAL 22 -5.189 0.602 -0.748 160 HB VAL 22 HB VAL 22 -6.047 -0.532 -2.969 161 1HG1 VAL 22 1HG1 VAL 22 -8.479 -0.245 -1.829 162 2HG1 VAL 22 2HG1 VAL 22 -8.211 -0.232 -3.588 163 3HG1 VAL 22 3HG1 VAL 22 -8.371 1.303 -2.702 164 1HG2 VAL 22 1HG2 VAL 22 -5.583 1.449 -4.011 165 2HG2 VAL 22 2HG2 VAL 22 -4.981 1.849 -2.384 166 3HG2 VAL 22 3HG2 VAL 22 -6.593 2.403 -2.898 167 H ASP 23 H ASP 23 -8.124 -1.088 0.222 168 HA ASP 23 HA ASP 23 -9.680 1.122 0.800 169 1HB ASP 23 1HB ASP 23 -9.739 -1.732 1.219 170 2HB ASP 23 2HB ASP 23 -10.130 -0.968 2.747 171 HD2 ASP 23 HD ASP 23 -12.674 -1.744 2.207 172 H CYS 24 H CYS 24 -7.808 -1.060 3.059 173 HA CYS 24 HA CYS 24 -8.052 0.575 5.276 174 1HB CYS 24 1HB CYS 24 -6.152 -1.633 4.513 175 2HB CYS 24 2HB CYS 24 -5.884 -0.720 5.985 176 HG CYS 24 HG CYS 24 -8.704 -2.181 5.031 177 H ALA 25 H ALA 25 -5.986 0.699 2.412 178 HA ALA 25 HA ALA 25 -3.915 2.270 3.488 179 1HB ALA 25 1HB ALA 25 -3.160 2.387 1.278 180 2HB ALA 25 2HB ALA 25 -4.809 2.398 0.607 181 3HB ALA 25 3HB ALA 25 -4.124 0.891 1.262 182 H THR 26 H THR 26 -6.451 3.324 1.107 183 HA THR 26 HA THR 26 -6.134 6.023 1.517 184 HB THR 26 HB THR 26 -7.428 4.842 -0.318 185 HG1 THR 26 HG1 THR 26 -8.797 6.785 1.409 186 1HG2 THR 26 1HG2 THR 26 -9.763 4.244 0.084 187 2HG2 THR 26 2HG2 THR 26 -9.659 4.788 1.775 188 3HG2 THR 26 3HG2 THR 26 -8.777 3.333 1.253 189 H GLN 27 H GLN 27 -8.450 3.803 3.201 190 HA GLN 27 HA GLN 27 -9.620 5.729 4.742 191 1HB GLN 27 1HB GLN 27 -9.070 2.789 5.322 192 2HB GLN 27 2HB GLN 27 -10.086 3.786 6.344 193 1HG GLN 27 1HG GLN 27 -10.858 4.123 3.548 194 2HG GLN 27 2HG GLN 27 -10.842 2.419 3.959 195 1HE2 GLN 27 2HE2 GLN 27 -13.168 2.757 3.525 196 2HE2 GLN 27 1HE2 GLN 27 -14.205 3.215 4.834 197 H ALA 28 H ALA 28 -6.666 3.741 5.397 198 HA ALA 28 HA ALA 28 -6.164 4.555 7.965 199 1HB ALA 28 1HB ALA 28 -4.856 2.810 7.059 200 2HB ALA 28 2HB ALA 28 -3.710 4.161 7.229 201 3HB ALA 28 3HB ALA 28 -4.397 3.771 5.634 202 H LEU 29 H LEU 29 -5.036 6.088 4.869 203 HA LEU 29 HA LEU 29 -3.801 8.250 6.180 204 1HB LEU 29 1HB LEU 29 -3.203 7.478 3.947 205 2HB LEU 29 2HB LEU 29 -4.781 7.937 3.340 206 HG LEU 29 HG LEU 29 -3.366 10.152 4.650 207 1HD1 LEU 29 1HD1 LEU 29 -1.535 8.670 3.531 208 2HD1 LEU 29 2HD1 LEU 29 -1.545 10.428 3.256 209 3HD1 LEU 29 3HD1 LEU 29 -2.189 9.330 2.013 210 1HD2 LEU 29 1HD2 LEU 29 -4.081 11.360 2.659 211 2HD2 LEU 29 2HD2 LEU 29 -5.426 10.417 3.344 212 3HD2 LEU 29 3HD2 LEU 29 -4.581 9.834 1.890 213 H GLU 30 H GLU 30 -7.127 7.496 5.289 214 HA GLU 30 HA GLU 30 -7.934 10.230 5.516 215 1HB GLU 30 1HB GLU 30 -8.964 7.987 4.231 216 2HB GLU 30 2HB GLU 30 -10.047 8.159 5.599 217 1HG GLU 30 1HG GLU 30 -9.657 10.802 4.617 218 2HG GLU 30 2HG GLU 30 -9.850 9.803 3.189 219 HE2 GLU 30 HE GLU 30 -11.643 11.661 4.731 220 H LYS 31 H LYS 31 -6.840 8.117 7.752 221 HA LYS 31 HA LYS 31 -8.733 9.099 9.769 222 1HB LYS 31 1HB LYS 31 -9.317 6.844 9.636 223 2HB LYS 31 2HB LYS 31 -7.672 6.318 9.341 224 1HG LYS 31 1HG LYS 31 -7.033 6.922 11.664 225 2HG LYS 31 2HG LYS 31 -8.645 7.537 11.969 226 1HD LYS 31 1HD LYS 31 -9.545 5.207 11.415 227 2HD LYS 31 2HD LYS 31 -7.886 4.645 11.352 228 1HE LYS 31 1HE LYS 31 -7.603 5.593 13.735 229 2HE LYS 31 2HE LYS 31 -9.340 5.822 13.762 230 1HZ LYS 31 1HZ LYS 31 -8.854 3.678 14.687 231 H TYR 32 H TYR 32 -5.405 8.024 8.921 232 HA TYR 32 HA TYR 32 -4.437 9.366 11.339 233 1HB TYR 32 1HB TYR 32 -3.546 7.226 9.368 234 2HB TYR 32 2HB TYR 32 -2.281 8.144 10.160 235 HD1 TYR 32 HD1 TYR 32 -3.098 8.474 12.887 236 HD2 TYR 32 HD2 TYR 32 -3.738 5.119 10.310 237 HE1 TYR 32 HE1 TYR 32 -3.263 6.943 14.910 238 HE2 TYR 32 HE2 TYR 32 -3.900 3.600 12.343 239 HH TYR 32 HH TYR 32 -4.410 3.736 14.653 240 H ASN 33 H ASN 33 -2.375 10.651 11.104 241 HA ASN 33 HA ASN 33 -2.476 12.083 8.566 242 1HB ASN 33 1HB ASN 33 -3.140 13.578 10.365 243 2HB ASN 33 2HB ASN 33 -1.847 13.017 11.406 244 1HD2 ASN 33 2HD2 ASN 33 -0.767 14.854 11.738 245 2HD2 ASN 33 1HD2 ASN 33 0.020 15.802 10.519 246 H ILE 34 H ILE 34 -0.570 10.399 11.043 247 HA ILE 34 HA ILE 34 1.964 11.258 10.002 248 HB ILE 34 HB ILE 34 1.254 9.117 12.012 249 1HG1 ILE 34 1HG1 ILE 34 2.318 11.143 13.460 250 2HG1 ILE 34 2HG1 ILE 34 1.527 12.070 12.201 251 1HG2 ILE 34 1HG2 ILE 34 3.883 10.353 12.235 252 2HG2 ILE 34 2HG2 ILE 34 3.661 9.503 10.687 253 3HG2 ILE 34 3HG2 ILE 34 3.417 8.635 12.221 254 1HD1 ILE 34 1HD1 ILE 34 0.335 10.709 14.459 255 2HD1 ILE 34 2HD1 ILE 34 -0.309 10.009 12.955 256 3HD1 ILE 34 3HD1 ILE 34 -0.451 11.758 13.255 257 H GLU 35 H GLU 35 1.862 10.687 7.769 258 HA GLU 35 HA GLU 35 1.026 8.484 6.613 259 1HB GLU 35 1HB GLU 35 3.636 9.967 6.116 260 2HB GLU 35 2HB GLU 35 3.054 8.715 5.036 261 1HG GLU 35 1HG GLU 35 1.564 10.133 4.075 262 2HG GLU 35 2HG GLU 35 0.887 10.570 5.631 263 HE2 GLU 35 HE GLU 35 2.538 13.339 6.140 264 H LYS 36 H LYS 36 4.271 8.774 8.218 265 HA LYS 36 HA LYS 36 5.254 6.298 7.719 266 1HB LYS 36 1HB LYS 36 5.944 8.451 9.304 267 2HB LYS 36 2HB LYS 36 5.693 7.184 10.488 268 1HG LYS 36 1HG LYS 36 7.313 6.616 7.985 269 2HG LYS 36 2HG LYS 36 8.058 7.441 9.339 270 1HD LYS 36 1HD LYS 36 6.583 5.177 10.371 271 2HD LYS 36 2HD LYS 36 7.563 4.621 9.028 272 1HE LYS 36 1HE LYS 36 9.597 5.298 10.057 273 2HE LYS 36 2HE LYS 36 8.794 6.426 11.132 274 1HZ LYS 36 1HZ LYS 36 9.441 4.390 12.300 275 H ASP 37 H ASP 37 2.883 7.250 10.271 276 HA ASP 37 HA ASP 37 2.759 4.639 11.308 277 1HB ASP 37 1HB ASP 37 2.092 6.951 12.373 278 2HB ASP 37 2HB ASP 37 0.563 6.726 11.548 279 HD2 ASP 37 HD ASP 37 0.741 5.496 15.027 280 H ILE 38 H ILE 38 1.201 6.470 8.702 281 HA ILE 38 HA ILE 38 -1.140 4.933 8.471 282 HB ILE 38 HB ILE 38 0.349 6.585 6.428 283 1HG1 ILE 38 1HG1 ILE 38 -1.798 7.287 8.441 284 2HG1 ILE 38 2HG1 ILE 38 -0.182 7.953 8.318 285 1HG2 ILE 38 1HG2 ILE 38 -2.589 6.154 6.262 286 2HG2 ILE 38 2HG2 ILE 38 -1.535 4.799 5.788 287 3HG2 ILE 38 3HG2 ILE 38 -1.380 6.375 4.975 288 1HD1 ILE 38 1HD1 ILE 38 -0.737 9.359 6.584 289 2HD1 ILE 38 2HD1 ILE 38 -2.381 9.145 7.232 290 3HD1 ILE 38 3HD1 ILE 38 -1.839 8.174 5.842 291 H ALA 39 H ALA 39 1.989 4.841 6.623 292 HA ALA 39 HA ALA 39 1.295 2.534 5.185 293 1HB ALA 39 1HB ALA 39 3.573 2.584 4.451 294 2HB ALA 39 2HB ALA 39 4.092 3.481 5.898 295 3HB ALA 39 3HB ALA 39 3.083 4.281 4.670 296 H ALA 40 H ALA 40 2.896 3.102 8.348 297 HA ALA 40 HA ALA 40 3.735 0.439 8.711 298 1HB ALA 40 1HB ALA 40 3.925 1.184 11.109 299 2HB ALA 40 2HB ALA 40 3.157 2.720 10.642 300 3HB ALA 40 3HB ALA 40 4.734 2.266 9.950 301 H TYR 41 H TYR 41 0.662 2.164 9.147 302 HA TYR 41 HA TYR 41 -0.497 0.155 10.812 303 1HB TYR 41 1HB TYR 41 -1.363 2.424 10.899 304 2HB TYR 41 2HB TYR 41 -1.331 2.587 9.154 305 HD1 TYR 41 HD1 TYR 41 -3.309 1.650 12.029 306 HD2 TYR 41 HD2 TYR 41 -3.061 1.348 7.769 307 HE1 TYR 41 HE1 TYR 41 -5.777 1.048 11.922 308 HE2 TYR 41 HE2 TYR 41 -5.530 0.747 7.676 309 HH TYR 41 HH TYR 41 -7.617 1.333 10.032 310 H ILE 42 H ILE 42 -0.312 0.840 7.303 311 HA ILE 42 HA ILE 42 -2.362 -0.962 6.579 312 HB ILE 42 HB ILE 42 -0.044 0.144 4.991 313 1HG1 ILE 42 1HG1 ILE 42 -2.833 1.192 4.769 314 2HG1 ILE 42 2HG1 ILE 42 -1.897 1.659 6.175 315 1HG2 ILE 42 1HG2 ILE 42 -1.082 -0.567 3.034 316 2HG2 ILE 42 2HG2 ILE 42 -2.643 -0.847 3.843 317 3HG2 ILE 42 3HG2 ILE 42 -1.281 -1.955 4.131 318 1HD1 ILE 42 1HD1 ILE 42 -0.623 3.087 4.957 319 2HD1 ILE 42 2HD1 ILE 42 -1.752 2.809 3.609 320 3HD1 ILE 42 3HD1 ILE 42 -0.271 1.832 3.744 321 H LYS 43 H LYS 43 1.263 -1.212 6.506 322 HA LYS 43 HA LYS 43 1.288 -3.891 5.729 323 1HB LYS 43 1HB LYS 43 3.337 -3.000 5.389 324 2HB LYS 43 2HB LYS 43 3.211 -1.892 6.740 325 1HG LYS 43 1HG LYS 43 3.448 -4.842 7.339 326 2HG LYS 43 2HG LYS 43 4.882 -3.991 6.803 327 1HD LYS 43 1HD LYS 43 3.750 -2.268 8.732 328 2HD LYS 43 2HD LYS 43 3.508 -3.869 9.401 329 1HE LYS 43 1HE LYS 43 5.662 -3.680 10.140 330 2HE LYS 43 2HE LYS 43 6.109 -4.077 8.493 331 1HZ LYS 43 1HZ LYS 43 5.907 -1.371 9.679 332 H LYS 44 H LYS 44 1.460 -2.343 9.001 333 HA LYS 44 HA LYS 44 1.674 -4.735 10.414 334 1HB LYS 44 1HB LYS 44 2.229 -2.588 11.391 335 2HB LYS 44 2HB LYS 44 0.579 -2.025 11.215 336 1HG LYS 44 1HG LYS 44 -0.179 -3.234 13.028 337 2HG LYS 44 2HG LYS 44 0.856 -4.606 12.684 338 1HD LYS 44 1HD LYS 44 2.087 -3.891 14.469 339 2HD LYS 44 2HD LYS 44 2.734 -2.695 13.362 340 1HE LYS 44 1HE LYS 44 1.980 -1.454 15.273 341 2HE LYS 44 2HE LYS 44 0.780 -1.166 14.029 342 1HZ LYS 44 1HZ LYS 44 -0.288 -3.301 15.175 343 H GLU 45 H GLU 45 -1.171 -2.862 9.246 344 HA GLU 45 HA GLU 45 -3.096 -4.272 10.586 345 1HB GLU 45 1HB GLU 45 -3.741 -2.278 9.455 346 2HB GLU 45 2HB GLU 45 -3.071 -2.814 7.926 347 1HG GLU 45 1HG GLU 45 -5.476 -3.042 7.768 348 2HG GLU 45 2HG GLU 45 -4.812 -4.661 7.871 349 HE2 GLU 45 HE GLU 45 -6.826 -3.035 10.921 350 H PHE 46 H PHE 46 -1.597 -4.912 7.350 351 HA PHE 46 HA PHE 46 -3.150 -7.262 6.945 352 1HB PHE 46 1HB PHE 46 -0.949 -5.661 5.677 353 2HB PHE 46 2HB PHE 46 -0.882 -7.370 5.297 354 HD1 PHE 46 HD1 PHE 46 -1.800 -4.513 3.870 355 HD2 PHE 46 HD2 PHE 46 -3.616 -8.186 4.977 356 HE1 PHE 46 HE1 PHE 46 -3.541 -4.187 2.093 357 HE2 PHE 46 HE2 PHE 46 -5.357 -7.860 3.199 358 HZ PHE 46 HZ PHE 46 -5.299 -5.864 1.779 359 H ASP 47 H ASP 47 0.455 -6.852 7.216 360 HA ASP 47 HA ASP 47 1.241 -9.317 7.467 361 1HB ASP 47 1HB ASP 47 3.161 -8.451 8.385 362 2HB ASP 47 2HB ASP 47 2.375 -6.921 8.052 363 HD2 ASP 47 HD ASP 47 3.975 -7.010 11.032 364 H LYS 48 H LYS 48 -0.615 -7.464 9.905 365 HA LYS 48 HA LYS 48 -0.333 -8.739 12.206 366 1HB LYS 48 1HB LYS 48 -1.927 -6.966 11.929 367 2HB LYS 48 2HB LYS 48 -2.912 -7.929 10.846 368 1HG LYS 48 1HG LYS 48 -4.070 -8.709 12.630 369 2HG LYS 48 2HG LYS 48 -2.616 -9.503 13.202 370 1HD LYS 48 1HD LYS 48 -2.748 -8.126 15.010 371 2HD LYS 48 2HD LYS 48 -2.160 -6.860 13.951 372 1HE LYS 48 1HE LYS 48 -4.387 -6.065 13.483 373 2HE LYS 48 2HE LYS 48 -5.129 -7.512 14.134 374 1HZ LYS 48 1HZ LYS 48 -5.288 -6.278 16.010 375 H LYS 49 H LYS 49 -3.001 -9.920 10.060 376 HA LYS 49 HA LYS 49 -2.058 -12.640 10.591 377 1HB LYS 49 1HB LYS 49 -3.838 -12.038 12.229 378 2HB LYS 49 2HB LYS 49 -4.934 -11.730 10.899 379 1HG LYS 49 1HG LYS 49 -5.422 -13.937 10.757 380 2HG LYS 49 2HG LYS 49 -3.740 -14.306 10.432 381 1HD LYS 49 1HD LYS 49 -3.350 -15.017 12.574 382 2HD LYS 49 2HD LYS 49 -4.246 -13.688 13.283 383 1HE LYS 49 1HE LYS 49 -6.379 -14.817 12.899 384 2HE LYS 49 2HE LYS 49 -5.611 -16.060 11.932 385 1HZ LYS 49 1HZ LYS 49 -4.649 -15.697 14.679 386 H TYR 50 H TYR 50 -1.166 -11.972 8.353 387 HA TYR 50 HA TYR 50 -3.132 -12.878 6.393 388 1HB TYR 50 1HB TYR 50 -2.640 -10.224 6.688 389 2HB TYR 50 2HB TYR 50 -1.159 -10.612 5.833 390 HD1 TYR 50 HD1 TYR 50 -1.478 -9.502 3.776 391 HD2 TYR 50 HD2 TYR 50 -4.534 -12.102 5.260 392 HE1 TYR 50 HE1 TYR 50 -2.715 -9.325 1.561 393 HE2 TYR 50 HE2 TYR 50 -5.761 -11.916 3.041 394 HH TYR 50 HH TYR 50 -4.291 -10.347 0.296 395 H ASN 51 H ASN 51 0.264 -11.573 6.455 396 HA ASN 51 HA ASN 51 1.417 -14.076 6.140 397 1HB ASN 51 1HB ASN 51 0.249 -13.277 3.754 398 2HB ASN 51 2HB ASN 51 1.858 -12.606 3.571 399 1HD2 ASN 51 2HD2 ASN 51 2.255 -14.054 1.884 400 2HD2 ASN 51 1HD2 ASN 51 2.653 -15.718 2.157 401 HA PRO 52 HA PRO 52 4.020 -10.435 7.114 402 1HB PRO 52 1HB PRO 52 4.835 -11.205 9.606 403 2HB PRO 52 2HB PRO 52 3.458 -10.157 9.329 404 1HG PRO 52 1HG PRO 52 3.491 -13.015 10.087 405 2HG PRO 52 2HG PRO 52 2.181 -11.859 10.219 406 1HD PRO 52 1HD PRO 52 2.462 -13.916 8.240 407 2HD PRO 52 2HD PRO 52 1.214 -12.687 8.305 408 H THR 53 H THR 53 7.333 -11.409 6.898 409 HA THR 53 HA THR 53 5.298 -9.567 7.934 410 HB THR 53 HB THR 53 7.399 -9.784 9.235 411 HG1 THR 53 HG1 THR 53 7.393 -7.401 7.526 412 1HG2 THR 53 1HG2 THR 53 9.050 -10.441 7.565 413 2HG2 THR 53 2HG2 THR 53 9.504 -8.814 8.123 414 3HG2 THR 53 3HG2 THR 53 8.676 -9.020 6.562 415 H TRP 54 H TRP 54 4.977 -7.483 6.988 416 HA TRP 54 HA TRP 54 5.488 -7.568 4.105 417 1HB TRP 54 1HB TRP 54 3.456 -6.033 5.732 418 2HB TRP 54 2HB TRP 54 3.682 -5.861 4.003 419 HD1 TRP 54 HD TRP 54 2.854 -8.796 6.462 420 HE1 TRP 54 HE1 TRP 54 1.150 -10.475 5.348 421 HE3 TRP 54 HE3 TRP 54 2.633 -6.416 1.974 422 HZ2 TRP 54 HZ2 TRP 54 -0.071 -10.617 2.773 423 HZ3 TRP 54 HZ3 TRP 54 1.161 -7.390 0.214 424 HH2 TRP 54 HH TRP 54 -0.162 -9.417 0.557 425 H HIS 55 H HIS 55 6.351 -5.654 3.055 426 HA HIS 55 HA HIS 55 7.594 -3.782 4.931 427 1HB HIS 55 1HB HIS 55 8.888 -4.828 2.402 428 2HB HIS 55 2HB HIS 55 9.601 -3.752 3.587 429 HD1 HIS 55 HD1 HIS 55 10.640 -6.691 2.702 430 HD2 HIS 55 HD2 HIS 55 8.643 -5.675 6.248 431 HE1 HIS 55 HE1 HIS 55 11.251 -8.489 4.407 432 H CYS 56 H CYS 56 6.811 -1.765 4.620 433 HA CYS 56 HA CYS 56 5.945 -1.115 1.896 434 1HB CYS 56 1HB CYS 56 4.231 0.304 2.800 435 2HB CYS 56 2HB CYS 56 4.075 -1.278 3.538 436 HG CYS 56 HG CYS 56 3.917 -0.333 5.710 437 H ILE 57 H ILE 57 6.386 1.136 1.218 438 HA ILE 57 HA ILE 57 8.312 2.530 2.919 439 HB ILE 57 HB ILE 57 8.713 1.922 -0.013 440 1HG1 ILE 57 1HG1 ILE 57 9.083 0.021 1.635 441 2HG1 ILE 57 2HG1 ILE 57 10.425 0.433 0.587 442 1HG2 ILE 57 1HG2 ILE 57 9.545 4.118 0.455 443 2HG2 ILE 57 2HG2 ILE 57 10.934 3.009 0.359 444 3HG2 ILE 57 3HG2 ILE 57 10.342 3.560 1.945 445 1HD1 ILE 57 1HD1 ILE 57 11.188 0.106 2.922 446 2HD1 ILE 57 2HD1 ILE 57 10.083 1.391 3.467 447 3HD1 ILE 57 3HD1 ILE 57 11.453 1.788 2.402 448 H VAL 58 H VAL 58 8.330 4.825 2.637 449 HA VAL 58 HA VAL 58 6.214 5.836 0.880 450 HB VAL 58 HB VAL 58 6.660 6.601 3.772 451 1HG1 VAL 58 1HG1 VAL 58 4.704 8.047 3.503 452 2HG1 VAL 58 2HG1 VAL 58 4.584 7.589 1.787 453 3HG1 VAL 58 3HG1 VAL 58 5.992 8.510 2.365 454 1HG2 VAL 58 1HG2 VAL 58 5.475 4.350 3.118 455 2HG2 VAL 58 2HG2 VAL 58 4.112 5.419 2.704 456 3HG2 VAL 58 3HG2 VAL 58 4.766 5.410 4.360 457 H GLY 59 H GLY 59 7.654 6.651 -0.651 458 1HA GLY 59 2HA GLY 59 9.494 8.735 0.366 459 2HA GLY 59 1HA GLY 59 9.931 7.618 -0.913 460 H ARG 60 H ARG 60 9.150 7.917 -3.040 461 HA ARG 60 HA ARG 60 7.124 9.879 -3.460 462 1HB ARG 60 1HB ARG 60 9.994 10.506 -3.794 463 2HB ARG 60 2HB ARG 60 9.090 10.773 -5.270 464 1HG ARG 60 1HG ARG 60 8.251 12.701 -4.426 465 2HG ARG 60 2HG ARG 60 7.498 11.813 -3.115 466 1HD ARG 60 1HD ARG 60 8.926 12.867 -1.695 467 2HD ARG 60 2HD ARG 60 10.219 11.902 -2.381 468 HE ARG 60 HE ARG 60 9.538 14.307 -3.941 469 1HH1 ARG 60 2HH2 ARG 60 11.597 12.946 -1.398 470 2HH1 ARG 60 1HH2 ARG 60 12.815 14.167 -1.558 471 1HH2 ARG 60 1HH ARG 60 12.528 15.905 -3.183 472 H ASN 61 H ASN 61 9.704 7.734 -4.789 473 HA ASN 61 HA ASN 61 7.764 6.765 -6.687 474 1HB ASN 61 1HB ASN 61 9.253 8.615 -7.762 475 2HB ASN 61 2HB ASN 61 10.589 7.492 -7.599 476 1HD2 ASN 61 2HD2 ASN 61 10.717 7.633 -9.906 477 2HD2 ASN 61 1HD2 ASN 61 9.709 6.651 -10.915 478 H PHE 62 H PHE 62 8.280 4.542 -7.360 479 HA PHE 62 HA PHE 62 10.673 3.402 -6.132 480 1HB PHE 62 1HB PHE 62 7.990 1.961 -6.113 481 2HB PHE 62 2HB PHE 62 9.346 1.727 -5.028 482 HD1 PHE 62 HD1 PHE 62 9.749 3.336 -3.187 483 HD2 PHE 62 HD2 PHE 62 6.303 3.594 -5.650 484 HE1 PHE 62 HE1 PHE 62 8.642 4.813 -1.485 485 HE2 PHE 62 HE2 PHE 62 5.197 5.071 -3.948 486 HZ PHE 62 HZ PHE 62 6.380 5.662 -1.886 487 H GLY 63 H GLY 63 11.741 2.949 -8.054 488 1HA GLY 63 2HA GLY 63 10.250 1.285 -9.996 489 2HA GLY 63 1HA GLY 63 11.474 2.458 -10.438 490 H SER 64 H SER 64 10.840 -0.781 -9.228 491 HA SER 64 HA SER 64 13.659 -1.339 -9.566 492 1HB SER 64 1HB SER 64 12.329 -1.291 -7.016 493 2HB SER 64 2HB SER 64 12.679 -2.966 -7.393 494 HG SER 64 HG SER 64 14.379 -1.347 -6.330 495 H TYR 65 H TYR 65 10.913 -3.283 -8.217 496 HA TYR 65 HA TYR 65 9.944 -5.152 -8.911 497 1HB TYR 65 1HB TYR 65 8.962 -3.972 -10.743 498 2HB TYR 65 2HB TYR 65 10.520 -3.515 -11.401 499 HD1 TYR 65 HD1 TYR 65 11.197 -4.521 -13.378 500 HD2 TYR 65 HD2 TYR 65 8.496 -6.626 -10.813 501 HE1 TYR 65 HE1 TYR 65 11.015 -6.390 -15.091 502 HE2 TYR 65 HE2 TYR 65 8.325 -8.490 -12.535 503 HH TYR 65 HH TYR 65 9.998 -8.222 -15.651 504 H VAL 66 H VAL 66 12.275 -4.828 -11.664 505 HA VAL 66 HA VAL 66 13.086 -7.552 -11.254 506 HB VAL 66 HB VAL 66 12.696 -6.439 -13.468 507 1HG1 VAL 66 1HG1 VAL 66 14.187 -4.390 -12.551 508 2HG1 VAL 66 2HG1 VAL 66 13.983 -4.749 -14.282 509 3HG1 VAL 66 3HG1 VAL 66 15.444 -5.297 -13.425 510 1HG2 VAL 66 1HG2 VAL 66 14.467 -7.625 -14.590 511 2HG2 VAL 66 2HG2 VAL 66 13.993 -8.559 -13.151 512 3HG2 VAL 66 3HG2 VAL 66 15.484 -7.588 -13.130 513 H THR 67 H THR 67 13.664 -6.487 -8.890 514 HA THR 67 HA THR 67 16.541 -6.555 -8.856 515 HB THR 67 HB THR 67 14.940 -4.037 -8.230 516 HG1 THR 67 HG1 THR 67 17.307 -4.918 -9.712 517 1HG2 THR 67 1HG2 THR 67 16.509 -4.583 -6.287 518 2HG2 THR 67 2HG2 THR 67 16.943 -3.103 -7.174 519 3HG2 THR 67 3HG2 THR 67 17.847 -4.608 -7.461 520 H HIS 68 H HIS 68 13.818 -5.455 -6.718 521 HA HIS 68 HA HIS 68 14.757 -7.499 -4.840 522 1HB HIS 68 1HB HIS 68 13.990 -4.673 -4.510 523 2HB HIS 68 2HB HIS 68 13.244 -5.752 -3.348 524 HD1 HIS 68 HD1 HIS 68 15.137 -7.495 -2.166 525 HD2 HIS 68 HD2 HIS 68 16.464 -3.835 -3.726 526 HE1 HIS 68 HE1 HIS 68 17.390 -7.025 -1.066 527 H GLU 69 H GLU 69 13.121 -8.307 -6.951 528 HA GLU 69 HA GLU 69 10.510 -8.102 -6.887 529 1HB GLU 69 1HB GLU 69 10.375 -10.505 -7.562 530 2HB GLU 69 2HB GLU 69 11.664 -9.647 -8.382 531 1HG GLU 69 1HG GLU 69 12.997 -11.366 -7.688 532 2HG GLU 69 2HG GLU 69 12.994 -10.552 -6.136 533 HE2 GLU 69 HE GLU 69 11.417 -12.950 -7.973 534 H THR 70 H THR 70 8.682 -9.225 -5.841 535 HA THR 70 HA THR 70 9.313 -10.407 -3.241 536 HB THR 70 HB THR 70 7.934 -8.842 -2.061 537 HG1 THR 70 HG1 THR 70 6.572 -7.386 -3.406 538 1HG2 THR 70 1HG2 THR 70 9.274 -7.247 -4.310 539 2HG2 THR 70 2HG2 THR 70 10.029 -7.679 -2.757 540 3HG2 THR 70 3HG2 THR 70 8.653 -6.553 -2.793 541 H ARG 71 H ARG 71 6.312 -10.106 -2.669 542 HA ARG 71 HA ARG 71 5.535 -12.252 -4.478 543 1HB ARG 71 1HB ARG 71 5.122 -11.857 -1.505 544 2HB ARG 71 2HB ARG 71 3.908 -12.751 -2.399 545 1HG ARG 71 1HG ARG 71 5.301 -14.524 -1.902 546 2HG ARG 71 2HG ARG 71 6.092 -14.006 -3.378 547 1HD ARG 71 1HD ARG 71 7.126 -12.410 -1.193 548 2HD ARG 71 2HD ARG 71 7.188 -14.096 -0.716 549 HE ARG 71 HE ARG 71 8.748 -12.826 -2.843 550 1HH1 ARG 71 2HH2 ARG 71 7.478 -15.912 -1.652 551 2HH1 ARG 71 1HH2 ARG 71 8.667 -16.862 -2.478 552 1HH2 ARG 71 1HH ARG 71 10.326 -15.764 -3.814 553 H HIS 72 H HIS 72 4.046 -9.886 -2.129 554 HA HIS 72 HA HIS 72 2.174 -9.173 -4.264 555 1HB HIS 72 1HB HIS 72 1.625 -10.092 -1.483 556 2HB HIS 72 2HB HIS 72 0.640 -8.777 -2.092 557 HD1 HIS 72 HD1 HIS 72 1.834 -11.524 -4.403 558 HD2 HIS 72 HD2 HIS 72 -1.648 -10.383 -2.361 559 HE1 HIS 72 HE1 HIS 72 -0.046 -12.980 -5.327 560 H PHE 73 H PHE 73 2.334 -7.053 -4.780 561 HA PHE 73 HA PHE 73 2.931 -5.185 -2.625 562 1HB PHE 73 1HB PHE 73 4.473 -4.102 -4.520 563 2HB PHE 73 2HB PHE 73 5.114 -5.422 -3.563 564 HD1 PHE 73 HD1 PHE 73 4.930 -7.789 -4.534 565 HD2 PHE 73 HD2 PHE 73 4.348 -4.280 -6.851 566 HE1 PHE 73 HE1 PHE 73 5.357 -9.102 -6.630 567 HE2 PHE 73 HE2 PHE 73 4.775 -5.594 -8.946 568 HZ PHE 73 HZ PHE 73 5.274 -7.989 -8.811 569 H ILE 74 H ILE 74 2.523 -2.870 -3.320 570 HA ILE 74 HA ILE 74 1.027 -2.468 -5.713 571 HB ILE 74 HB ILE 74 -0.875 -3.281 -4.816 572 1HG1 ILE 74 1HG1 ILE 74 -0.909 -0.553 -3.498 573 2HG1 ILE 74 2HG1 ILE 74 -1.123 -0.810 -5.218 574 1HG2 ILE 74 1HG2 ILE 74 -1.273 -2.754 -2.189 575 2HG2 ILE 74 2HG2 ILE 74 0.502 -2.873 -2.233 576 3HG2 ILE 74 3HG2 ILE 74 -0.495 -4.230 -2.811 577 1HD1 ILE 74 1HD1 ILE 74 -3.341 -0.988 -4.703 578 2HD1 ILE 74 2HD1 ILE 74 -3.006 -1.319 -2.986 579 3HD1 ILE 74 3HD1 ILE 74 -2.921 -2.636 -4.180 580 H TYR 75 H TYR 75 1.699 -0.510 -6.387 581 HA TYR 75 HA TYR 75 2.449 1.418 -4.294 582 1HB TYR 75 1HB TYR 75 4.367 0.816 -5.655 583 2HB TYR 75 2HB TYR 75 3.394 0.668 -7.103 584 HD1 TYR 75 HD1 TYR 75 4.545 2.099 -8.590 585 HD2 TYR 75 HD2 TYR 75 3.414 3.542 -4.725 586 HE1 TYR 75 HE1 TYR 75 5.205 4.459 -9.269 587 HE2 TYR 75 HE2 TYR 75 4.078 5.896 -5.417 588 HH TYR 75 HH TYR 75 4.495 6.807 -8.537 589 H PHE 76 H PHE 76 0.998 3.038 -4.044 590 HA PHE 76 HA PHE 76 -0.088 4.244 -6.451 591 1HB PHE 76 1HB PHE 76 -2.381 4.190 -5.253 592 2HB PHE 76 2HB PHE 76 -1.821 2.631 -5.824 593 HD1 PHE 76 HD1 PHE 76 -0.357 1.297 -4.028 594 HD2 PHE 76 HD2 PHE 76 -3.197 4.310 -3.101 595 HE1 PHE 76 HE1 PHE 76 -0.591 0.363 -1.710 596 HE2 PHE 76 HE2 PHE 76 -3.432 3.376 -0.783 597 HZ PHE 76 HZ PHE 76 -2.126 1.414 -0.116 598 H TYR 77 H TYR 77 -1.615 6.213 -5.604 599 HA TYR 77 HA TYR 77 0.077 7.620 -3.667 600 1HB TYR 77 1HB TYR 77 -0.559 8.294 -6.191 601 2HB TYR 77 2HB TYR 77 -2.107 8.738 -5.501 602 HD1 TYR 77 HD1 TYR 77 -2.318 11.032 -5.280 603 HD2 TYR 77 HD2 TYR 77 1.465 9.226 -4.426 604 HE1 TYR 77 HE1 TYR 77 -1.372 13.302 -4.636 605 HE2 TYR 77 HE2 TYR 77 2.398 11.503 -3.784 606 HH TYR 77 HH TYR 77 1.952 13.592 -3.427 607 H LEU 78 H LEU 78 -0.690 7.793 -1.624 608 HA LEU 78 HA LEU 78 -3.574 7.536 -1.250 609 1HB LEU 78 1HB LEU 78 -1.501 6.287 -0.019 610 2HB LEU 78 2HB LEU 78 -1.762 7.628 1.078 611 HG LEU 78 HG LEU 78 -4.040 6.966 1.481 612 1HD1 LEU 78 1HD1 LEU 78 -4.573 4.564 0.336 613 2HD1 LEU 78 2HD1 LEU 78 -3.649 5.354 -0.963 614 3HD1 LEU 78 3HD1 LEU 78 -5.112 6.132 -0.312 615 1HD2 LEU 78 1HD2 LEU 78 -1.779 5.292 2.046 616 2HD2 LEU 78 2HD2 LEU 78 -3.231 4.282 1.853 617 3HD2 LEU 78 3HD2 LEU 78 -3.224 5.613 3.034 618 H GLY 79 H GLY 79 -4.770 9.342 -1.051 619 1HA GLY 79 2HA GLY 79 -5.371 11.444 -0.528 620 2HA GLY 79 1HA GLY 79 -4.095 11.455 0.674 621 H GLN 80 H GLN 80 -1.881 12.075 0.025 622 HA GLN 80 HA GLN 80 -1.664 13.247 -2.593 623 1HB GLN 80 1HB GLN 80 -2.579 14.940 -0.731 624 2HB GLN 80 2HB GLN 80 -0.885 15.031 -0.291 625 1HG GLN 80 1HG GLN 80 -0.835 15.225 -3.095 626 2HG GLN 80 2HG GLN 80 -2.267 16.135 -2.654 627 1HE2 GLN 80 2HE2 GLN 80 1.000 16.264 -3.098 628 2HE2 GLN 80 1HE2 GLN 80 1.400 17.698 -2.213 629 H VAL 81 H VAL 81 -0.500 10.949 -1.103 630 HA VAL 81 HA VAL 81 2.289 11.736 -1.414 631 HB VAL 81 HB VAL 81 2.929 10.632 0.638 632 1HG1 VAL 81 1HG1 VAL 81 2.315 12.322 2.151 633 2HG1 VAL 81 2HG1 VAL 81 0.715 12.540 1.402 634 3HG1 VAL 81 3HG1 VAL 81 2.179 13.095 0.553 635 1HG2 VAL 81 1HG2 VAL 81 0.397 9.413 0.478 636 2HG2 VAL 81 2HG2 VAL 81 0.354 10.424 1.943 637 3HG2 VAL 81 3HG2 VAL 81 1.627 9.197 1.745 638 H ALA 82 H ALA 82 3.700 9.630 -1.385 639 HA ALA 82 HA ALA 82 2.254 7.701 -3.041 640 1HB ALA 82 1HB ALA 82 4.767 9.016 -3.233 641 2HB ALA 82 2HB ALA 82 4.103 7.767 -4.313 642 3HB ALA 82 3HB ALA 82 5.112 7.297 -2.925 643 H ILE 83 H ILE 83 2.498 5.406 -2.654 644 HA ILE 83 HA ILE 83 3.757 4.616 -0.182 645 HB ILE 83 HB ILE 83 1.379 5.466 0.301 646 1HG1 ILE 83 1HG1 ILE 83 1.812 2.651 1.252 647 2HG1 ILE 83 2HG1 ILE 83 2.986 3.885 1.661 648 1HG2 ILE 83 1HG2 ILE 83 0.640 2.751 -0.816 649 2HG2 ILE 83 2HG2 ILE 83 0.352 4.296 -1.653 650 3HG2 ILE 83 3HG2 ILE 83 -0.443 3.966 -0.095 651 1HD1 ILE 83 1HD1 ILE 83 1.524 5.032 3.039 652 2HD1 ILE 83 2HD1 ILE 83 0.798 3.413 3.175 653 3HD1 ILE 83 3HD1 ILE 83 0.101 4.609 2.055 654 H LEU 84 H LEU 84 4.909 2.847 -0.713 655 HA LEU 84 HA LEU 84 3.731 1.077 -2.741 656 1HB LEU 84 1HB LEU 84 5.498 2.029 -3.865 657 2HB LEU 84 2HB LEU 84 6.495 2.163 -2.430 658 HG LEU 84 HG LEU 84 6.050 -0.615 -2.889 659 1HD1 LEU 84 1HD1 LEU 84 6.352 0.975 -5.371 660 2HD1 LEU 84 2HD1 LEU 84 5.647 -0.638 -5.109 661 3HD1 LEU 84 3HD1 LEU 84 7.414 -0.444 -5.210 662 1HD2 LEU 84 1HD2 LEU 84 8.052 -0.326 -1.921 663 2HD2 LEU 84 2HD2 LEU 84 8.284 1.287 -2.638 664 3HD2 LEU 84 3HD2 LEU 84 8.650 -0.172 -3.590 665 H LEU 85 H LEU 85 2.861 -0.576 -1.571 666 HA LEU 85 HA LEU 85 4.447 -1.587 0.669 667 1HB LEU 85 1HB LEU 85 2.194 -0.937 1.211 668 2HB LEU 85 2HB LEU 85 1.543 -1.922 -0.083 669 HG LEU 85 HG LEU 85 3.178 -3.382 1.909 670 1HD1 LEU 85 1HD1 LEU 85 0.428 -2.880 2.867 671 2HD1 LEU 85 2HD1 LEU 85 1.558 -1.512 3.016 672 3HD1 LEU 85 3HD1 LEU 85 1.949 -3.077 3.769 673 1HD2 LEU 85 1HD2 LEU 85 2.125 -4.657 0.209 674 2HD2 LEU 85 2HD2 LEU 85 0.558 -3.856 0.477 675 3HD2 LEU 85 3HD2 LEU 85 1.215 -4.959 1.709 676 H PHE 86 H PHE 86 5.098 -3.768 0.783 677 HA PHE 86 HA PHE 86 4.364 -5.569 -1.310 678 1HB PHE 86 1HB PHE 86 6.631 -5.728 -2.263 679 2HB PHE 86 2HB PHE 86 6.177 -4.036 -2.295 680 HD1 PHE 86 HD1 PHE 86 7.223 -2.438 -0.769 681 HD2 PHE 86 HD2 PHE 86 8.378 -6.520 -0.787 682 HE1 PHE 86 HE1 PHE 86 9.299 -1.857 0.519 683 HE2 PHE 86 HE2 PHE 86 10.453 -5.940 0.499 684 HZ PHE 86 HZ PHE 86 10.889 -3.615 1.137 685 H LYS 87 H LYS 87 4.809 -7.733 -0.750 686 HA LYS 87 HA LYS 87 5.831 -8.033 1.973 687 1HB LYS 87 1HB LYS 87 3.741 -8.993 1.954 688 2HB LYS 87 2HB LYS 87 3.853 -9.504 0.282 689 1HG LYS 87 1HG LYS 87 4.004 -11.484 1.697 690 2HG LYS 87 2HG LYS 87 5.567 -11.227 0.948 691 1HD LYS 87 1HD LYS 87 6.374 -10.082 3.024 692 2HD LYS 87 2HD LYS 87 4.809 -10.339 3.773 693 1HE LYS 87 1HE LYS 87 5.740 -12.274 4.568 694 2HE LYS 87 2HE LYS 87 5.400 -12.908 2.969 695 1HZ LYS 87 1HZ LYS 87 7.842 -12.907 3.982 696 H SER 88 H SER 88 7.957 -8.491 2.125 697 HA SER 88 HA SER 88 8.981 -10.395 0.176 698 1HB SER 88 1HB SER 88 9.836 -8.211 -0.484 699 2HB SER 88 2HB SER 88 10.319 -7.841 1.159 700 HG SER 88 HG SER 88 11.388 -10.118 -0.259 701 H GLY 89 H GLY 89 9.990 -12.146 1.130 702 1HA GLY 89 2HA GLY 89 10.037 -12.352 3.973 703 2HA GLY 89 1HA GLY 89 10.617 -13.523 2.806 Start of MODEL 2 1 1H MET 1 H MET 1 -14.702 20.163 -11.065 2 HA MET 1 HA MET 1 -15.447 18.521 -12.316 3 1HB MET 1 1HB MET 1 -12.489 17.822 -12.371 4 2HB MET 1 2HB MET 1 -13.636 16.633 -12.957 5 1HG MET 1 1HG MET 1 -14.613 18.694 -14.346 6 2HG MET 1 2HG MET 1 -13.025 19.383 -14.068 7 1HE MET 1 1HE MET 1 -14.896 17.535 -16.741 8 2HE MET 1 2HE MET 1 -14.003 19.074 -16.764 9 3HE MET 1 3HE MET 1 -13.434 17.701 -17.742 10 H SER 2 H SER 2 -14.151 18.333 -9.243 11 HA SER 2 HA SER 2 -14.672 17.108 -7.519 12 1HB SER 2 1HB SER 2 -16.699 16.312 -9.405 13 2HB SER 2 2HB SER 2 -16.167 14.875 -8.557 14 HG SER 2 HG SER 2 -17.764 15.721 -7.256 15 H ASP 3 H ASP 3 -13.423 15.552 -6.457 16 HA ASP 3 HA ASP 3 -11.504 14.226 -8.010 17 1HB ASP 3 1HB ASP 3 -11.786 14.986 -5.343 18 2HB ASP 3 2HB ASP 3 -11.922 13.241 -5.240 19 HD2 ASP 3 HD ASP 3 -8.536 15.113 -5.983 20 H ARG 4 H ARG 4 -11.340 11.716 -6.439 21 HA ARG 4 HA ARG 4 -13.851 10.426 -7.038 22 1HB ARG 4 1HB ARG 4 -11.219 9.893 -8.395 23 2HB ARG 4 2HB ARG 4 -12.171 8.486 -7.967 24 1HG ARG 4 1HG ARG 4 -13.946 9.071 -9.395 25 2HG ARG 4 2HG ARG 4 -13.568 10.781 -9.344 26 1HD ARG 4 1HD ARG 4 -11.354 10.129 -10.588 27 2HD ARG 4 2HD ARG 4 -12.141 8.596 -10.907 28 HE ARG 4 HE ARG 4 -14.065 10.350 -11.729 29 1HH1 ARG 4 2HH2 ARG 4 -10.591 10.226 -12.411 30 2HH1 ARG 4 1HH2 ARG 4 -10.743 10.968 -13.966 31 1HH2 ARG 4 1HH ARG 4 -12.914 11.610 -14.754 32 H LYS 5 H LYS 5 -10.431 9.435 -6.248 33 HA LYS 5 HA LYS 5 -10.948 8.989 -3.533 34 1HB LYS 5 1HB LYS 5 -10.929 6.517 -3.503 35 2HB LYS 5 2HB LYS 5 -12.381 7.183 -4.222 36 1HG LYS 5 1HG LYS 5 -11.044 6.942 -6.501 37 2HG LYS 5 2HG LYS 5 -10.046 5.824 -5.595 38 1HD LYS 5 1HD LYS 5 -11.612 4.197 -5.779 39 2HD LYS 5 2HD LYS 5 -12.821 5.222 -5.032 40 1HE LYS 5 1HE LYS 5 -12.625 6.328 -7.582 41 2HE LYS 5 2HE LYS 5 -12.370 4.625 -7.906 42 1HZ LYS 5 1HZ LYS 5 -14.588 5.356 -6.127 43 H ALA 6 H ALA 6 -9.082 6.925 -3.025 44 HA ALA 6 HA ALA 6 -6.687 8.343 -3.397 45 1HB ALA 6 1HB ALA 6 -5.807 5.957 -2.599 46 2HB ALA 6 2HB ALA 6 -7.536 5.688 -2.280 47 3HB ALA 6 3HB ALA 6 -6.685 7.036 -1.488 48 H VAL 7 H VAL 7 -6.378 8.730 -5.643 49 HA VAL 7 HA VAL 7 -6.648 7.064 -7.719 50 HB VAL 7 HB VAL 7 -4.377 8.241 -8.462 51 1HG1 VAL 7 1HG1 VAL 7 -6.336 10.350 -8.244 52 2HG1 VAL 7 2HG1 VAL 7 -7.141 8.810 -8.626 53 3HG1 VAL 7 3HG1 VAL 7 -5.836 9.414 -9.674 54 1HG2 VAL 7 1HG2 VAL 7 -3.570 9.894 -7.149 55 2HG2 VAL 7 2HG2 VAL 7 -4.357 8.982 -5.838 56 3HG2 VAL 7 3HG2 VAL 7 -5.185 10.374 -6.577 57 H ILE 8 H ILE 8 -5.072 5.712 -8.965 58 HA ILE 8 HA ILE 8 -3.087 4.442 -7.237 59 HB ILE 8 HB ILE 8 -5.465 3.169 -8.509 60 1HG1 ILE 8 1HG1 ILE 8 -4.591 1.782 -6.226 61 2HG1 ILE 8 2HG1 ILE 8 -4.325 3.474 -5.856 62 1HG2 ILE 8 1HG2 ILE 8 -3.597 2.091 -9.646 63 2HG2 ILE 8 2HG2 ILE 8 -4.367 0.978 -8.490 64 3HG2 ILE 8 3HG2 ILE 8 -2.819 1.754 -8.079 65 1HD1 ILE 8 1HD1 ILE 8 -6.941 2.246 -6.844 66 2HD1 ILE 8 2HD1 ILE 8 -6.681 3.985 -6.560 67 3HD1 ILE 8 3HD1 ILE 8 -6.604 2.840 -5.200 68 H LYS 9 H LYS 9 -1.325 3.461 -8.398 69 HA LYS 9 HA LYS 9 -1.178 4.442 -11.163 70 1HB LYS 9 1HB LYS 9 1.002 4.061 -9.090 71 2HB LYS 9 2HB LYS 9 1.303 4.433 -10.777 72 1HG LYS 9 1HG LYS 9 -0.631 6.332 -10.041 73 2HG LYS 9 2HG LYS 9 0.367 6.204 -8.606 74 1HD LYS 9 1HD LYS 9 2.021 6.273 -11.031 75 2HD LYS 9 2HD LYS 9 0.957 7.663 -10.959 76 1HE LYS 9 1HE LYS 9 2.502 6.849 -8.480 77 2HE LYS 9 2HE LYS 9 3.323 7.732 -9.752 78 1HZ LYS 9 1HZ LYS 9 1.876 8.908 -7.816 79 H ASN 10 H ASN 10 0.628 1.972 -9.216 80 HA ASN 10 HA ASN 10 -0.179 0.058 -11.260 81 1HB ASN 10 1HB ASN 10 2.285 0.863 -11.372 82 2HB ASN 10 2HB ASN 10 2.527 0.062 -9.831 83 1HD2 ASN 10 2HD2 ASN 10 2.147 -0.275 -13.222 84 2HD2 ASN 10 1HD2 ASN 10 2.346 -1.991 -13.353 85 H ALA 11 H ALA 11 -0.590 -2.105 -10.430 86 HA ALA 11 HA ALA 11 -0.120 -2.576 -7.608 87 1HB ALA 11 1HB ALA 11 -2.292 -1.445 -7.610 88 2HB ALA 11 2HB ALA 11 -2.507 -3.171 -7.230 89 3HB ALA 11 3HB ALA 11 -2.897 -2.561 -8.857 90 H ASP 12 H ASP 12 -1.923 -3.819 -10.517 91 HA ASP 12 HA ASP 12 -1.948 -5.760 -11.481 92 1HB ASP 12 1HB ASP 12 0.623 -5.136 -11.512 93 2HB ASP 12 2HB ASP 12 0.784 -6.431 -10.342 94 HD2 ASP 12 HD ASP 12 1.793 -6.851 -13.369 95 H MET 13 H MET 13 -3.596 -6.523 -9.891 96 HA MET 13 HA MET 13 -2.834 -8.923 -8.677 97 1HB MET 13 1HB MET 13 -2.449 -6.584 -7.077 98 2HB MET 13 2HB MET 13 -3.931 -7.300 -6.477 99 1HG MET 13 1HG MET 13 -2.797 -9.468 -6.124 100 2HG MET 13 2HG MET 13 -1.328 -8.856 -6.856 101 1HE MET 13 1HE MET 13 -0.663 -5.930 -5.507 102 2HE MET 13 2HE MET 13 0.398 -6.801 -4.374 103 3HE MET 13 3HE MET 13 0.204 -7.390 -6.042 104 H SER 14 H SER 14 -4.909 -9.265 -6.799 105 HA SER 14 HA SER 14 -7.161 -9.105 -8.600 106 1HB SER 14 1HB SER 14 -6.930 -11.299 -7.781 107 2HB SER 14 2HB SER 14 -6.466 -10.766 -6.177 108 HG SER 14 HG SER 14 -8.625 -11.585 -6.155 109 H GLU 15 H GLU 15 -8.874 -7.710 -8.266 110 HA GLU 15 HA GLU 15 -8.749 -5.573 -6.706 111 1HB GLU 15 1HB GLU 15 -10.626 -6.624 -8.400 112 2HB GLU 15 2HB GLU 15 -11.487 -6.753 -6.881 113 1HG GLU 15 1HG GLU 15 -12.079 -4.580 -7.387 114 2HG GLU 15 2HG GLU 15 -10.566 -4.228 -6.576 115 HE2 GLU 15 HE GLU 15 -11.558 -2.599 -8.419 116 H GLU 16 H GLU 16 -9.492 -8.867 -5.669 117 HA GLU 16 HA GLU 16 -10.859 -8.383 -3.362 118 1HB GLU 16 1HB GLU 16 -9.990 -10.607 -4.588 119 2HB GLU 16 2HB GLU 16 -8.731 -10.513 -3.373 120 1HG GLU 16 1HG GLU 16 -11.155 -10.000 -1.976 121 2HG GLU 16 2HG GLU 16 -11.524 -11.319 -3.068 122 HE2 GLU 16 HE GLU 16 -9.276 -13.516 -1.491 123 H MET 17 H MET 17 -7.277 -9.028 -3.555 124 HA MET 17 HA MET 17 -6.939 -7.906 -0.968 125 1HB MET 17 1HB MET 17 -4.540 -8.464 -1.374 126 2HB MET 17 2HB MET 17 -5.559 -9.812 -1.838 127 1HG MET 17 1HG MET 17 -5.518 -8.666 -4.238 128 2HG MET 17 2HG MET 17 -4.094 -7.847 -3.625 129 1HE MET 17 1HE MET 17 -5.004 -11.986 -4.754 130 2HE MET 17 2HE MET 17 -4.865 -12.128 -2.985 131 3HE MET 17 3HE MET 17 -5.995 -10.953 -3.696 132 H GLN 18 H GLN 18 -6.316 -6.914 -4.369 133 HA GLN 18 HA GLN 18 -4.763 -4.721 -3.857 134 1HB GLN 18 1HB GLN 18 -5.214 -5.693 -6.111 135 2HB GLN 18 2HB GLN 18 -6.852 -5.073 -6.053 136 1HG GLN 18 1HG GLN 18 -4.840 -2.988 -5.470 137 2HG GLN 18 2HG GLN 18 -4.608 -3.716 -7.048 138 1HE2 GLN 18 2HE2 GLN 18 -5.377 -2.296 -8.436 139 2HE2 GLN 18 1HE2 GLN 18 -6.963 -1.599 -8.436 140 H GLN 19 H GLN 19 -8.369 -5.015 -4.008 141 HA GLN 19 HA GLN 19 -8.759 -2.274 -3.511 142 1HB GLN 19 1HB GLN 19 -10.367 -3.986 -4.614 143 2HB GLN 19 2HB GLN 19 -10.781 -4.481 -2.985 144 1HG GLN 19 1HG GLN 19 -11.150 -1.728 -4.234 145 2HG GLN 19 2HG GLN 19 -12.400 -2.809 -3.651 146 1HE2 GLN 19 2HE2 GLN 19 -11.085 -0.021 -2.990 147 2HE2 GLN 19 1HE2 GLN 19 -11.075 0.016 -1.259 148 H ASP 20 H ASP 20 -8.909 -5.268 -1.478 149 HA ASP 20 HA ASP 20 -9.808 -4.187 0.820 150 1HB ASP 20 1HB ASP 20 -9.210 -6.618 0.323 151 2HB ASP 20 2HB ASP 20 -7.529 -6.207 0.611 152 HD2 ASP 20 HD ASP 20 -8.771 -8.021 2.979 153 H ALA 21 H ALA 21 -6.402 -4.385 -0.432 154 HA ALA 21 HA ALA 21 -5.240 -3.116 1.805 155 1HB ALA 21 1HB ALA 21 -3.345 -3.718 0.741 156 2HB ALA 21 2HB ALA 21 -3.800 -2.826 -0.731 157 3HB ALA 21 3HB ALA 21 -4.392 -4.485 -0.476 158 H VAL 22 H VAL 22 -5.451 -1.867 -1.601 159 HA VAL 22 HA VAL 22 -4.881 0.697 -1.196 160 HB VAL 22 HB VAL 22 -5.790 -0.714 -3.253 161 1HG1 VAL 22 1HG1 VAL 22 -7.968 0.039 -4.021 162 2HG1 VAL 22 2HG1 VAL 22 -8.164 1.053 -2.573 163 3HG1 VAL 22 3HG1 VAL 22 -8.129 -0.720 -2.420 164 1HG2 VAL 22 1HG2 VAL 22 -6.213 2.279 -3.273 165 2HG2 VAL 22 2HG2 VAL 22 -5.601 1.226 -4.571 166 3HG2 VAL 22 3HG2 VAL 22 -4.589 1.558 -3.144 167 H ASP 23 H ASP 23 -7.883 -0.961 -0.205 168 HA ASP 23 HA ASP 23 -9.342 1.330 0.337 169 1HB ASP 23 1HB ASP 23 -10.282 -0.983 0.203 170 2HB ASP 23 2HB ASP 23 -9.434 -1.416 1.675 171 HD2 ASP 23 HD ASP 23 -10.817 -1.367 3.382 172 H CYS 24 H CYS 24 -7.568 -0.957 2.566 173 HA CYS 24 HA CYS 24 -7.859 0.510 4.865 174 1HB CYS 24 1HB CYS 24 -5.623 -1.361 4.024 175 2HB CYS 24 2HB CYS 24 -5.796 -0.719 5.646 176 HG CYS 24 HG CYS 24 -6.912 -3.280 4.559 177 H ALA 25 H ALA 25 -5.681 0.885 2.072 178 HA ALA 25 HA ALA 25 -3.811 2.589 3.303 179 1HB ALA 25 1HB ALA 25 -4.607 2.536 0.372 180 2HB ALA 25 2HB ALA 25 -3.603 1.273 1.125 181 3HB ALA 25 3HB ALA 25 -3.027 2.956 1.073 182 H THR 26 H THR 26 -6.354 3.445 0.845 183 HA THR 26 HA THR 26 -6.264 6.157 1.219 184 HB THR 26 HB THR 26 -7.504 4.701 -0.536 185 HG1 THR 26 HG1 THR 26 -9.047 6.497 -0.701 186 1HG2 THR 26 1HG2 THR 26 -9.989 4.506 0.026 187 2HG2 THR 26 2HG2 THR 26 -9.562 4.801 1.728 188 3HG2 THR 26 3HG2 THR 26 -8.958 3.346 0.897 189 H GLN 27 H GLN 27 -8.046 3.706 3.143 190 HA GLN 27 HA GLN 27 -9.488 5.576 4.611 191 1HB GLN 27 1HB GLN 27 -8.619 2.732 5.285 192 2HB GLN 27 2HB GLN 27 -9.758 3.652 6.249 193 1HG GLN 27 1HG GLN 27 -10.393 3.622 3.345 194 2HG GLN 27 2HG GLN 27 -10.435 2.038 4.095 195 1HE2 GLN 27 2HE2 GLN 27 -11.708 5.303 4.147 196 2HE2 GLN 27 1HE2 GLN 27 -13.160 4.984 5.035 197 H ALA 28 H ALA 28 -6.236 4.113 5.016 198 HA ALA 28 HA ALA 28 -5.756 4.954 7.623 199 1HB ALA 28 1HB ALA 28 -4.399 3.304 6.382 200 2HB ALA 28 2HB ALA 28 -3.387 4.623 7.015 201 3HB ALA 28 3HB ALA 28 -3.830 4.591 5.292 202 H LEU 29 H LEU 29 -4.996 6.549 4.449 203 HA LEU 29 HA LEU 29 -3.935 8.859 5.651 204 1HB LEU 29 1HB LEU 29 -4.052 7.773 3.128 205 2HB LEU 29 2HB LEU 29 -5.113 9.161 2.983 206 HG LEU 29 HG LEU 29 -2.989 9.909 2.311 207 1HD1 LEU 29 1HD1 LEU 29 -3.574 10.758 5.150 208 2HD1 LEU 29 2HD1 LEU 29 -3.983 11.589 3.631 209 3HD1 LEU 29 3HD1 LEU 29 -2.288 11.501 4.169 210 1HD2 LEU 29 1HD2 LEU 29 -0.918 9.537 3.461 211 2HD2 LEU 29 2HD2 LEU 29 -1.734 7.968 3.254 212 3HD2 LEU 29 3HD2 LEU 29 -1.756 8.781 4.837 213 H GLU 30 H GLU 30 -7.120 7.623 5.500 214 HA GLU 30 HA GLU 30 -8.227 10.305 5.677 215 1HB GLU 30 1HB GLU 30 -9.106 7.993 4.336 216 2HB GLU 30 2HB GLU 30 -10.162 8.094 5.730 217 1HG GLU 30 1HG GLU 30 -10.993 10.233 5.117 218 2HG GLU 30 2HG GLU 30 -9.617 10.585 4.091 219 HE2 GLU 30 HE GLU 30 -12.685 9.617 4.079 220 H LYS 31 H LYS 31 -6.892 8.010 7.665 221 HA LYS 31 HA LYS 31 -8.735 8.698 9.848 222 1HB LYS 31 1HB LYS 31 -9.074 6.408 9.562 223 2HB LYS 31 2HB LYS 31 -7.400 6.093 9.156 224 1HG LYS 31 1HG LYS 31 -6.775 6.759 11.540 225 2HG LYS 31 2HG LYS 31 -8.486 6.859 11.905 226 1HD LYS 31 1HD LYS 31 -8.273 4.357 10.674 227 2HD LYS 31 2HD LYS 31 -6.774 4.469 11.574 228 1HE LYS 31 1HE LYS 31 -8.279 5.251 13.579 229 2HE LYS 31 2HE LYS 31 -9.616 4.617 12.641 230 1HZ LYS 31 1HZ LYS 31 -7.316 2.849 12.919 231 H TYR 32 H TYR 32 -5.336 7.858 8.922 232 HA TYR 32 HA TYR 32 -4.419 9.217 11.338 233 1HB TYR 32 1HB TYR 32 -3.375 7.310 9.199 234 2HB TYR 32 2HB TYR 32 -2.197 8.259 10.081 235 HD1 TYR 32 HD1 TYR 32 -1.933 7.956 12.546 236 HD2 TYR 32 HD2 TYR 32 -4.502 5.443 10.225 237 HE1 TYR 32 HE1 TYR 32 -1.976 6.247 14.428 238 HE2 TYR 32 HE2 TYR 32 -4.536 3.742 12.113 239 HH TYR 32 HH TYR 32 -3.434 4.480 15.221 240 H ASN 33 H ASN 33 -2.385 10.615 11.060 241 HA ASN 33 HA ASN 33 -2.657 12.142 8.591 242 1HB ASN 33 1HB ASN 33 -3.357 13.092 11.077 243 2HB ASN 33 2HB ASN 33 -1.663 13.539 11.057 244 1HD2 ASN 33 2HD2 ASN 33 -0.932 15.134 9.759 245 2HD2 ASN 33 1HD2 ASN 33 -1.932 16.143 8.767 246 H ILE 34 H ILE 34 -0.797 9.929 10.010 247 HA ILE 34 HA ILE 34 1.717 11.337 9.436 248 HB ILE 34 HB ILE 34 1.200 9.168 11.473 249 1HG1 ILE 34 1HG1 ILE 34 2.143 11.213 12.919 250 2HG1 ILE 34 2HG1 ILE 34 1.391 12.143 11.638 251 1HG2 ILE 34 1HG2 ILE 34 3.775 10.631 11.431 252 2HG2 ILE 34 2HG2 ILE 34 3.509 9.470 10.107 253 3HG2 ILE 34 3HG2 ILE 34 3.419 8.928 11.800 254 1HD1 ILE 34 1HD1 ILE 34 -0.038 11.453 13.741 255 2HD1 ILE 34 2HD1 ILE 34 -0.146 9.873 12.927 256 3HD1 ILE 34 3HD1 ILE 34 -0.768 11.334 12.122 257 H GLU 35 H GLU 35 2.388 10.713 7.452 258 HA GLU 35 HA GLU 35 1.480 8.557 6.093 259 1HB GLU 35 1HB GLU 35 4.181 9.957 5.914 260 2HB GLU 35 2HB GLU 35 3.615 8.805 4.721 261 1HG GLU 35 1HG GLU 35 2.132 10.290 3.796 262 2HG GLU 35 2HG GLU 35 1.615 10.899 5.356 263 HE2 GLU 35 HE GLU 35 5.034 11.059 4.381 264 H LYS 36 H LYS 36 4.543 8.790 8.034 265 HA LYS 36 HA LYS 36 5.468 6.248 7.607 266 1HB LYS 36 1HB LYS 36 5.803 8.328 9.699 267 2HB LYS 36 2HB LYS 36 6.262 6.701 10.161 268 1HG LYS 36 1HG LYS 36 7.183 7.628 7.457 269 2HG LYS 36 2HG LYS 36 7.934 8.397 8.842 270 1HD LYS 36 1HD LYS 36 8.098 5.821 9.679 271 2HD LYS 36 2HD LYS 36 8.073 5.528 7.952 272 1HE LYS 36 1HE LYS 36 10.287 6.023 7.897 273 2HE LYS 36 2HE LYS 36 9.876 7.685 8.270 274 1HZ LYS 36 1HZ LYS 36 11.158 7.217 10.086 275 H ASP 37 H ASP 37 3.065 7.411 10.044 276 HA ASP 37 HA ASP 37 2.781 4.883 11.210 277 1HB ASP 37 1HB ASP 37 2.017 7.401 11.891 278 2HB ASP 37 2HB ASP 37 0.498 6.843 11.220 279 HD2 ASP 37 HD ASP 37 -0.248 4.700 13.713 280 H ILE 38 H ILE 38 1.384 6.588 8.416 281 HA ILE 38 HA ILE 38 -0.945 5.041 8.136 282 HB ILE 38 HB ILE 38 0.676 6.736 6.248 283 1HG1 ILE 38 1HG1 ILE 38 -0.867 7.524 8.306 284 2HG1 ILE 38 2HG1 ILE 38 -0.657 8.457 6.838 285 1HG2 ILE 38 1HG2 ILE 38 -0.441 4.948 4.966 286 2HG2 ILE 38 2HG2 ILE 38 -1.110 6.561 4.621 287 3HG2 ILE 38 3HG2 ILE 38 -2.000 5.436 5.675 288 1HD1 ILE 38 1HD1 ILE 38 -2.938 6.517 7.433 289 2HD1 ILE 38 2HD1 ILE 38 -2.704 7.344 5.874 290 3HD1 ILE 38 3HD1 ILE 38 -3.046 8.292 7.343 291 H ALA 39 H ALA 39 2.275 4.856 6.457 292 HA ALA 39 HA ALA 39 1.660 2.496 5.086 293 1HB ALA 39 1HB ALA 39 4.326 3.692 5.947 294 2HB ALA 39 2HB ALA 39 3.457 4.028 4.430 295 3HB ALA 39 3HB ALA 39 4.122 2.404 4.735 296 H ALA 40 H ALA 40 2.899 3.180 8.367 297 HA ALA 40 HA ALA 40 3.768 0.555 8.909 298 1HB ALA 40 1HB ALA 40 3.943 1.340 11.179 299 2HB ALA 40 2HB ALA 40 2.784 2.656 10.875 300 3HB ALA 40 3HB ALA 40 4.394 2.695 10.118 301 H TYR 41 H TYR 41 0.622 2.225 9.003 302 HA TYR 41 HA TYR 41 -0.660 0.197 10.544 303 1HB TYR 41 1HB TYR 41 -1.480 2.528 10.455 304 2HB TYR 41 2HB TYR 41 -1.460 2.523 8.702 305 HD1 TYR 41 HD1 TYR 41 -3.333 1.576 11.698 306 HD2 TYR 41 HD2 TYR 41 -3.231 1.354 7.426 307 HE1 TYR 41 HE1 TYR 41 -5.786 0.905 11.666 308 HE2 TYR 41 HE2 TYR 41 -5.683 0.685 7.409 309 HH TYR 41 HH TYR 41 -7.705 1.209 9.330 310 H ILE 42 H ILE 42 -0.236 0.929 7.049 311 HA ILE 42 HA ILE 42 -2.115 -0.976 6.167 312 HB ILE 42 HB ILE 42 0.252 0.287 4.779 313 1HG1 ILE 42 1HG1 ILE 42 -2.675 1.066 4.675 314 2HG1 ILE 42 2HG1 ILE 42 -1.492 1.847 5.707 315 1HG2 ILE 42 1HG2 ILE 42 -2.036 -0.617 3.166 316 2HG2 ILE 42 2HG2 ILE 42 -1.097 -1.928 3.920 317 3HG2 ILE 42 3HG2 ILE 42 -0.286 -0.745 2.866 318 1HD1 ILE 42 1HD1 ILE 42 -1.840 2.021 2.753 319 2HD1 ILE 42 2HD1 ILE 42 -0.155 1.928 3.316 320 3HD1 ILE 42 3HD1 ILE 42 -1.218 3.232 3.899 321 H LYS 43 H LYS 43 1.498 -1.043 6.497 322 HA LYS 43 HA LYS 43 1.794 -3.669 5.628 323 1HB LYS 43 1HB LYS 43 3.713 -2.316 5.670 324 2HB LYS 43 2HB LYS 43 3.451 -1.812 7.327 325 1HG LYS 43 1HG LYS 43 3.693 -4.749 7.050 326 2HG LYS 43 2HG LYS 43 5.121 -3.897 6.495 327 1HD LYS 43 1HD LYS 43 5.225 -2.655 8.664 328 2HD LYS 43 2HD LYS 43 3.796 -3.504 9.221 329 1HE LYS 43 1HE LYS 43 5.324 -5.649 8.506 330 2HE LYS 43 2HE LYS 43 6.602 -4.515 8.891 331 1HZ LYS 43 1HZ LYS 43 6.016 -5.631 10.902 332 H LYS 44 H LYS 44 1.355 -2.301 8.953 333 HA LYS 44 HA LYS 44 1.497 -4.761 10.263 334 1HB LYS 44 1HB LYS 44 1.791 -2.894 11.613 335 2HB LYS 44 2HB LYS 44 0.421 -2.039 10.931 336 1HG LYS 44 1HG LYS 44 -1.109 -3.781 11.975 337 2HG LYS 44 2HG LYS 44 0.293 -4.488 12.754 338 1HD LYS 44 1HD LYS 44 -0.640 -1.599 13.117 339 2HD LYS 44 2HD LYS 44 -0.938 -2.900 14.254 340 1HE LYS 44 1HE LYS 44 1.883 -2.904 13.681 341 2HE LYS 44 2HE LYS 44 1.422 -1.243 13.998 342 1HZ LYS 44 1HZ LYS 44 1.922 -3.009 15.937 343 H GLU 45 H GLU 45 -1.204 -2.989 8.695 344 HA GLU 45 HA GLU 45 -3.274 -4.465 9.670 345 1HB GLU 45 1HB GLU 45 -3.536 -2.430 8.292 346 2HB GLU 45 2HB GLU 45 -2.928 -3.274 6.883 347 1HG GLU 45 1HG GLU 45 -5.178 -3.600 6.488 348 2HG GLU 45 2HG GLU 45 -4.918 -4.991 7.523 349 HE2 GLU 45 HE GLU 45 -6.052 -4.917 9.529 350 H PHE 46 H PHE 46 -1.378 -5.053 6.620 351 HA PHE 46 HA PHE 46 -2.675 -7.539 6.163 352 1HB PHE 46 1HB PHE 46 -0.421 -5.842 5.070 353 2HB PHE 46 2HB PHE 46 -0.356 -7.544 4.661 354 HD1 PHE 46 HD1 PHE 46 -3.500 -5.658 5.075 355 HD2 PHE 46 HD2 PHE 46 -0.718 -7.301 2.323 356 HE1 PHE 46 HE1 PHE 46 -5.125 -5.269 3.201 357 HE2 PHE 46 HE2 PHE 46 -2.344 -6.913 0.450 358 HZ PHE 46 HZ PHE 46 -4.526 -5.902 0.911 359 H ASP 47 H ASP 47 0.005 -6.469 8.136 360 HA ASP 47 HA ASP 47 1.386 -8.932 8.075 361 1HB ASP 47 1HB ASP 47 2.363 -6.656 8.676 362 2HB ASP 47 2HB ASP 47 1.475 -6.727 10.185 363 HD2 ASP 47 HD ASP 47 4.978 -7.831 10.361 364 H LYS 48 H LYS 48 -1.451 -7.651 9.645 365 HA LYS 48 HA LYS 48 -1.421 -8.857 12.113 366 1HB LYS 48 1HB LYS 48 -3.663 -8.169 10.208 367 2HB LYS 48 2HB LYS 48 -3.972 -8.854 11.789 368 1HG LYS 48 1HG LYS 48 -2.030 -6.663 11.964 369 2HG LYS 48 2HG LYS 48 -3.503 -6.128 11.181 370 1HD LYS 48 1HD LYS 48 -4.190 -7.798 13.460 371 2HD LYS 48 2HD LYS 48 -3.063 -6.558 13.976 372 1HE LYS 48 1HE LYS 48 -4.547 -4.838 12.795 373 2HE LYS 48 2HE LYS 48 -5.712 -6.117 12.522 374 1HZ LYS 48 1HZ LYS 48 -5.281 -4.648 14.896 375 H LYS 49 H LYS 49 -3.792 -10.230 9.845 376 HA LYS 49 HA LYS 49 -2.470 -12.829 10.138 377 1HB LYS 49 1HB LYS 49 -4.978 -11.993 11.320 378 2HB LYS 49 2HB LYS 49 -5.250 -13.298 10.184 379 1HG LYS 49 1HG LYS 49 -4.069 -14.831 11.439 380 2HG LYS 49 2HG LYS 49 -2.865 -13.659 11.938 381 1HD LYS 49 1HD LYS 49 -4.193 -12.850 13.725 382 2HD LYS 49 2HD LYS 49 -5.688 -13.416 13.009 383 1HE LYS 49 1HE LYS 49 -3.744 -15.592 13.575 384 2HE LYS 49 2HE LYS 49 -4.273 -14.733 15.008 385 1HZ LYS 49 1HZ LYS 49 -5.845 -16.395 13.208 386 H TYR 50 H TYR 50 -1.692 -12.032 7.947 387 HA TYR 50 HA TYR 50 -3.656 -12.893 5.955 388 1HB TYR 50 1HB TYR 50 -3.080 -10.249 6.413 389 2HB TYR 50 2HB TYR 50 -1.683 -10.636 5.430 390 HD1 TYR 50 HD1 TYR 50 -2.022 -9.598 3.367 391 HD2 TYR 50 HD2 TYR 50 -5.236 -11.800 5.136 392 HE1 TYR 50 HE1 TYR 50 -3.416 -9.264 1.269 393 HE2 TYR 50 HE2 TYR 50 -6.619 -11.458 3.031 394 HH TYR 50 HH TYR 50 -5.284 -10.439 0.143 395 H ASN 51 H ASN 51 -0.250 -11.620 6.105 396 HA ASN 51 HA ASN 51 0.875 -14.113 5.627 397 1HB ASN 51 1HB ASN 51 -0.262 -13.429 3.320 398 2HB ASN 51 2HB ASN 51 1.092 -12.326 3.174 399 1HD2 ASN 51 2HD2 ASN 51 0.597 -14.424 1.419 400 2HD2 ASN 51 1HD2 ASN 51 1.870 -15.594 1.520 401 HA PRO 52 HA PRO 52 3.474 -10.510 6.830 402 1HB PRO 52 1HB PRO 52 4.080 -11.275 9.383 403 2HB PRO 52 2HB PRO 52 2.764 -10.184 8.997 404 1HG PRO 52 1HG PRO 52 2.641 -13.031 9.784 405 2HG PRO 52 2HG PRO 52 1.366 -11.828 9.809 406 1HD PRO 52 1HD PRO 52 1.717 -13.919 7.878 407 2HD PRO 52 2HD PRO 52 0.511 -12.647 7.839 408 H THR 53 H THR 53 6.763 -11.609 6.910 409 HA THR 53 HA THR 53 4.747 -9.705 7.850 410 HB THR 53 HB THR 53 6.708 -9.890 9.271 411 HG1 THR 53 HG1 THR 53 7.125 -7.712 7.353 412 1HG2 THR 53 1HG2 THR 53 8.954 -9.098 8.040 413 2HG2 THR 53 2HG2 THR 53 8.171 -9.832 6.620 414 3HG2 THR 53 3HG2 THR 53 8.505 -10.821 8.062 415 H TRP 54 H TRP 54 4.558 -7.583 6.927 416 HA TRP 54 HA TRP 54 5.170 -7.654 4.062 417 1HB TRP 54 1HB TRP 54 3.119 -6.067 5.616 418 2HB TRP 54 2HB TRP 54 3.412 -5.913 3.895 419 HD1 TRP 54 HD TRP 54 2.352 -8.762 6.360 420 HE1 TRP 54 HE1 TRP 54 0.663 -10.415 5.187 421 HE3 TRP 54 HE3 TRP 54 2.501 -6.511 1.804 422 HZ2 TRP 54 HZ2 TRP 54 -0.397 -10.590 2.543 423 HZ3 TRP 54 HZ3 TRP 54 1.109 -7.487 -0.019 424 HH2 TRP 54 HH TRP 54 -0.306 -9.455 0.293 425 H HIS 55 H HIS 55 5.675 -5.380 3.133 426 HA HIS 55 HA HIS 55 7.041 -3.705 5.072 427 1HB HIS 55 1HB HIS 55 8.372 -4.912 2.632 428 2HB HIS 55 2HB HIS 55 9.038 -3.584 3.560 429 HD1 HIS 55 HD1 HIS 55 8.943 -4.370 6.399 430 HD2 HIS 55 HD2 HIS 55 9.607 -7.212 3.386 431 HE1 HIS 55 HE1 HIS 55 10.084 -6.355 7.528 432 H CYS 56 H CYS 56 6.311 -1.665 4.779 433 HA CYS 56 HA CYS 56 5.344 -1.003 2.098 434 1HB CYS 56 1HB CYS 56 3.735 -0.954 4.094 435 2HB CYS 56 2HB CYS 56 4.618 0.453 4.651 436 HG CYS 56 HG CYS 56 3.634 0.165 1.522 437 H ILE 57 H ILE 57 6.029 1.031 1.166 438 HA ILE 57 HA ILE 57 8.154 2.402 2.642 439 HB ILE 57 HB ILE 57 8.285 1.222 -0.115 440 1HG1 ILE 57 1HG1 ILE 57 9.091 -0.046 1.906 441 2HG1 ILE 57 2HG1 ILE 57 10.279 0.195 0.640 442 1HG2 ILE 57 1HG2 ILE 57 10.392 2.549 -0.425 443 2HG2 ILE 57 2HG2 ILE 57 9.894 3.545 0.963 444 3HG2 ILE 57 3HG2 ILE 57 8.886 3.496 -0.502 445 1HD1 ILE 57 1HD1 ILE 57 11.634 1.406 2.004 446 2HD1 ILE 57 2HD1 ILE 57 10.601 0.851 3.342 447 3HD1 ILE 57 3HD1 ILE 57 10.284 2.420 2.564 448 H VAL 58 H VAL 58 8.529 4.640 1.850 449 HA VAL 58 HA VAL 58 6.264 5.687 0.326 450 HB VAL 58 HB VAL 58 6.072 5.797 2.931 451 1HG1 VAL 58 1HG1 VAL 58 7.021 7.928 3.833 452 2HG1 VAL 58 2HG1 VAL 58 7.976 8.086 2.339 453 3HG1 VAL 58 3HG1 VAL 58 8.252 6.708 3.430 454 1HG2 VAL 58 1HG2 VAL 58 5.174 7.458 0.767 455 2HG2 VAL 58 2HG2 VAL 58 5.431 8.470 2.208 456 3HG2 VAL 58 3HG2 VAL 58 4.350 7.059 2.293 457 H GLY 59 H GLY 59 6.846 8.303 0.148 458 1HA GLY 59 2HA GLY 59 8.992 9.626 0.038 459 2HA GLY 59 1HA GLY 59 9.591 8.306 -0.944 460 H ARG 60 H ARG 60 8.820 7.998 -3.105 461 HA ARG 60 HA ARG 60 6.753 9.725 -4.030 462 1HB ARG 60 1HB ARG 60 9.213 10.875 -4.101 463 2HB ARG 60 2HB ARG 60 9.316 9.970 -5.599 464 1HG ARG 60 1HG ARG 60 6.741 11.139 -5.666 465 2HG ARG 60 2HG ARG 60 7.765 12.392 -4.994 466 1HD ARG 60 1HD ARG 60 9.027 12.610 -6.938 467 2HD ARG 60 2HD ARG 60 8.869 10.917 -7.366 468 HE ARG 60 HE ARG 60 6.833 11.382 -8.472 469 1HH1 ARG 60 2HH2 ARG 60 7.893 14.225 -6.641 470 2HH1 ARG 60 1HH2 ARG 60 6.739 15.284 -7.379 471 1HH2 ARG 60 1HH ARG 60 5.230 14.413 -9.026 472 H ASN 61 H ASN 61 9.460 7.450 -4.774 473 HA ASN 61 HA ASN 61 7.618 6.072 -6.545 474 1HB ASN 61 1HB ASN 61 9.591 7.568 -7.641 475 2HB ASN 61 2HB ASN 61 10.556 6.154 -7.265 476 1HD2 ASN 61 2HD2 ASN 61 10.707 4.715 -8.794 477 2HD2 ASN 61 1HD2 ASN 61 9.552 4.369 -10.038 478 H PHE 62 H PHE 62 9.434 3.976 -7.294 479 HA PHE 62 HA PHE 62 9.915 2.769 -4.672 480 1HB PHE 62 1HB PHE 62 8.426 1.915 -6.801 481 2HB PHE 62 2HB PHE 62 9.982 1.317 -7.341 482 HD1 PHE 62 HD1 PHE 62 7.679 -0.459 -6.797 483 HD2 PHE 62 HD2 PHE 62 10.752 0.922 -4.214 484 HE1 PHE 62 HE1 PHE 62 7.394 -2.501 -5.366 485 HE2 PHE 62 HE2 PHE 62 10.466 -1.121 -2.783 486 HZ PHE 62 HZ PHE 62 8.790 -2.808 -3.375 487 H GLY 63 H GLY 63 11.481 0.633 -6.315 488 1HA GLY 63 2HA GLY 63 13.656 1.277 -7.610 489 2HA GLY 63 1HA GLY 63 14.063 1.999 -6.066 490 H SER 64 H SER 64 12.216 -0.296 -4.850 491 HA SER 64 HA SER 64 14.364 -2.268 -4.916 492 1HB SER 64 1HB SER 64 12.427 -1.476 -2.707 493 2HB SER 64 2HB SER 64 13.352 -2.963 -2.638 494 HG SER 64 HG SER 64 14.954 -1.791 -1.858 495 H TYR 65 H TYR 65 13.477 -3.419 -6.747 496 HA TYR 65 HA TYR 65 11.414 -5.268 -6.013 497 1HB TYR 65 1HB TYR 65 9.941 -4.552 -7.919 498 2HB TYR 65 2HB TYR 65 10.157 -3.216 -6.805 499 HD1 TYR 65 HD1 TYR 65 10.756 -4.440 -10.180 500 HD2 TYR 65 HD2 TYR 65 11.689 -1.329 -7.395 501 HE1 TYR 65 HE1 TYR 65 11.592 -2.978 -12.084 502 HE2 TYR 65 HE2 TYR 65 12.521 0.124 -9.310 503 HH TYR 65 HH TYR 65 12.401 0.371 -11.561 504 H VAL 66 H VAL 66 13.450 -3.804 -8.615 505 HA VAL 66 HA VAL 66 13.568 -6.378 -9.950 506 HB VAL 66 HB VAL 66 13.221 -4.362 -11.259 507 1HG1 VAL 66 1HG1 VAL 66 14.228 -2.619 -10.042 508 2HG1 VAL 66 2HG1 VAL 66 15.237 -2.778 -11.500 509 3HG1 VAL 66 3HG1 VAL 66 15.794 -3.460 -9.951 510 1HG2 VAL 66 1HG2 VAL 66 16.037 -5.233 -11.891 511 2HG2 VAL 66 2HG2 VAL 66 14.688 -4.878 -12.996 512 3HG2 VAL 66 3HG2 VAL 66 14.679 -6.374 -12.031 513 H THR 67 H THR 67 14.579 -6.545 -7.355 514 HA THR 67 HA THR 67 17.315 -7.252 -7.942 515 HB THR 67 HB THR 67 16.548 -5.029 -5.988 516 HG1 THR 67 HG1 THR 67 18.557 -5.429 -8.092 517 1HG2 THR 67 1HG2 THR 67 18.349 -5.557 -4.691 518 2HG2 THR 67 2HG2 THR 67 19.390 -5.516 -6.134 519 3HG2 THR 67 3HG2 THR 67 18.601 -7.037 -5.648 520 H HIS 68 H HIS 68 14.877 -6.791 -5.297 521 HA HIS 68 HA HIS 68 15.680 -9.449 -4.368 522 1HB HIS 68 1HB HIS 68 15.016 -8.815 -2.172 523 2HB HIS 68 2HB HIS 68 16.061 -7.555 -2.797 524 HD1 HIS 68 HD1 HIS 68 13.110 -7.861 -0.890 525 HD2 HIS 68 HD2 HIS 68 14.209 -5.408 -4.110 526 HE1 HIS 68 HE1 HIS 68 11.534 -5.854 -0.831 527 H GLU 69 H GLU 69 13.085 -7.391 -5.589 528 HA GLU 69 HA GLU 69 11.064 -7.829 -6.254 529 1HB GLU 69 1HB GLU 69 11.990 -10.720 -6.029 530 2HB GLU 69 2HB GLU 69 10.400 -10.294 -6.628 531 1HG GLU 69 1HG GLU 69 11.524 -8.798 -8.357 532 2HG GLU 69 2HG GLU 69 13.073 -9.414 -7.814 533 HE2 GLU 69 HE GLU 69 13.014 -12.355 -8.688 534 H THR 70 H THR 70 8.851 -8.689 -5.520 535 HA THR 70 HA THR 70 8.812 -9.564 -2.743 536 HB THR 70 HB THR 70 7.441 -7.648 -2.049 537 HG1 THR 70 HG1 THR 70 7.830 -7.009 -4.888 538 1HG2 THR 70 1HG2 THR 70 10.069 -7.329 -2.407 539 2HG2 THR 70 2HG2 THR 70 9.042 -5.912 -2.090 540 3HG2 THR 70 3HG2 THR 70 9.548 -6.291 -3.754 541 H ARG 71 H ARG 71 7.324 -11.103 -2.448 542 HA ARG 71 HA ARG 71 6.025 -12.364 -4.292 543 1HB ARG 71 1HB ARG 71 5.207 -11.705 -1.457 544 2HB ARG 71 2HB ARG 71 4.074 -12.599 -2.449 545 1HG ARG 71 1HG ARG 71 5.417 -14.490 -2.541 546 2HG ARG 71 2HG ARG 71 6.908 -13.570 -2.511 547 1HD ARG 71 1HD ARG 71 6.904 -14.570 -0.374 548 2HD ARG 71 2HD ARG 71 6.246 -12.982 -0.033 549 HE ARG 71 HE ARG 71 4.189 -13.970 0.488 550 1HH1 ARG 71 2HH2 ARG 71 6.135 -16.295 -1.345 551 2HH1 ARG 71 1HH2 ARG 71 5.022 -17.600 -1.111 552 1HH2 ARG 71 1HH ARG 71 3.020 -17.223 0.152 553 H HIS 72 H HIS 72 4.175 -9.901 -2.342 554 HA HIS 72 HA HIS 72 2.803 -9.174 -4.824 555 1HB HIS 72 1HB HIS 72 1.691 -10.212 -2.303 556 2HB HIS 72 2HB HIS 72 0.920 -8.742 -2.862 557 HD1 HIS 72 HD1 HIS 72 1.202 -9.407 -5.987 558 HD2 HIS 72 HD2 HIS 72 -0.360 -11.943 -3.033 559 HE1 HIS 72 HE1 HIS 72 -0.331 -11.052 -7.194 560 H PHE 73 H PHE 73 2.530 -6.974 -5.171 561 HA PHE 73 HA PHE 73 3.080 -5.185 -2.951 562 1HB PHE 73 1HB PHE 73 4.596 -3.954 -4.778 563 2HB PHE 73 2HB PHE 73 5.285 -5.280 -3.862 564 HD1 PHE 73 HD1 PHE 73 4.614 -4.024 -7.104 565 HD2 PHE 73 HD2 PHE 73 5.126 -7.635 -4.936 566 HE1 PHE 73 HE1 PHE 73 5.133 -5.233 -9.243 567 HE2 PHE 73 HE2 PHE 73 5.645 -8.845 -7.074 568 HZ PHE 73 HZ PHE 73 5.642 -7.629 -9.202 569 H ILE 74 H ILE 74 2.689 -2.820 -3.665 570 HA ILE 74 HA ILE 74 1.116 -2.456 -6.015 571 HB ILE 74 HB ILE 74 -0.720 -3.328 -4.997 572 1HG1 ILE 74 1HG1 ILE 74 -1.001 -0.602 -3.758 573 2HG1 ILE 74 2HG1 ILE 74 -0.874 -0.762 -5.498 574 1HG2 ILE 74 1HG2 ILE 74 0.138 -4.020 -2.915 575 2HG2 ILE 74 2HG2 ILE 74 -1.241 -2.961 -2.535 576 3HG2 ILE 74 3HG2 ILE 74 0.422 -2.347 -2.379 577 1HD1 ILE 74 1HD1 ILE 74 -2.751 -2.726 -4.378 578 2HD1 ILE 74 2HD1 ILE 74 -3.002 -1.533 -5.676 579 3HD1 ILE 74 3HD1 ILE 74 -3.210 -1.054 -3.974 580 H TYR 75 H TYR 75 1.671 -0.474 -6.731 581 HA TYR 75 HA TYR 75 2.511 1.472 -4.688 582 1HB TYR 75 1HB TYR 75 4.393 0.936 -6.097 583 2HB TYR 75 2HB TYR 75 3.377 0.658 -7.495 584 HD1 TYR 75 HD1 TYR 75 2.645 2.512 -8.915 585 HD2 TYR 75 HD2 TYR 75 5.105 3.202 -5.484 586 HE1 TYR 75 HE1 TYR 75 3.171 4.852 -9.756 587 HE2 TYR 75 HE2 TYR 75 5.625 5.540 -6.337 588 HH TYR 75 HH TYR 75 5.657 6.753 -8.353 589 H PHE 76 H PHE 76 0.915 2.946 -4.355 590 HA PHE 76 HA PHE 76 -0.248 4.153 -6.743 591 1HB PHE 76 1HB PHE 76 -2.470 4.089 -5.411 592 2HB PHE 76 2HB PHE 76 -1.923 2.532 -6.000 593 HD1 PHE 76 HD1 PHE 76 -3.159 4.221 -3.216 594 HD2 PHE 76 HD2 PHE 76 -0.339 1.235 -4.282 595 HE1 PHE 76 HE1 PHE 76 -3.243 3.306 -0.880 596 HE2 PHE 76 HE2 PHE 76 -0.423 0.320 -1.945 597 HZ PHE 76 HZ PHE 76 -1.875 1.368 -0.273 598 H TYR 77 H TYR 77 -1.807 6.087 -5.798 599 HA TYR 77 HA TYR 77 0.001 7.600 -4.060 600 1HB TYR 77 1HB TYR 77 -0.899 8.228 -6.491 601 2HB TYR 77 2HB TYR 77 -2.427 8.531 -5.688 602 HD1 TYR 77 HD1 TYR 77 -2.874 10.742 -5.177 603 HD2 TYR 77 HD2 TYR 77 1.192 9.412 -5.155 604 HE1 TYR 77 HE1 TYR 77 -2.097 13.096 -4.606 605 HE2 TYR 77 HE2 TYR 77 1.954 11.769 -4.587 606 HH TYR 77 HH TYR 77 1.354 13.857 -4.407 607 H LEU 78 H LEU 78 -0.548 7.951 -1.971 608 HA LEU 78 HA LEU 78 -3.367 7.540 -1.270 609 1HB LEU 78 1HB LEU 78 -1.103 6.354 -0.269 610 2HB LEU 78 2HB LEU 78 -1.380 7.643 0.886 611 HG LEU 78 HG LEU 78 -3.522 6.806 1.481 612 1HD1 LEU 78 1HD1 LEU 78 -4.260 4.577 0.254 613 2HD1 LEU 78 2HD1 LEU 78 -3.319 5.285 -1.081 614 3HD1 LEU 78 3HD1 LEU 78 -4.686 6.184 -0.382 615 1HD2 LEU 78 1HD2 LEU 78 -1.619 5.632 2.484 616 2HD2 LEU 78 2HD2 LEU 78 -1.654 4.440 1.163 617 3HD2 LEU 78 3HD2 LEU 78 -3.026 4.559 2.289 618 H GLY 79 H GLY 79 -4.482 9.417 -1.207 619 1HA GLY 79 2HA GLY 79 -5.054 11.502 -0.577 620 2HA GLY 79 1HA GLY 79 -3.728 11.489 0.568 621 H GLN 80 H GLN 80 -1.737 12.474 0.052 622 HA GLN 80 HA GLN 80 -1.621 13.628 -2.621 623 1HB GLN 80 1HB GLN 80 -0.680 15.710 -1.636 624 2HB GLN 80 2HB GLN 80 -2.313 15.402 -1.077 625 1HG GLN 80 1HG GLN 80 -1.565 15.495 1.059 626 2HG GLN 80 2HG GLN 80 -0.628 14.044 0.767 627 1HE2 GLN 80 2HE2 GLN 80 0.770 15.060 2.379 628 2HE2 GLN 80 1HE2 GLN 80 1.996 16.170 1.871 629 H VAL 81 H VAL 81 -0.382 11.261 -0.938 630 HA VAL 81 HA VAL 81 2.375 11.885 -1.725 631 HB VAL 81 HB VAL 81 1.706 11.903 0.829 632 1HG1 VAL 81 1HG1 VAL 81 0.637 9.716 0.868 633 2HG1 VAL 81 2HG1 VAL 81 2.099 9.698 1.883 634 3HG1 VAL 81 3HG1 VAL 81 2.127 8.948 0.270 635 1HG2 VAL 81 1HG2 VAL 81 4.034 11.870 -0.500 636 2HG2 VAL 81 2HG2 VAL 81 4.162 10.291 0.311 637 3HG2 VAL 81 3HG2 VAL 81 3.941 11.771 1.274 638 H ALA 82 H ALA 82 3.617 9.533 -1.531 639 HA ALA 82 HA ALA 82 1.955 7.780 -3.196 640 1HB ALA 82 1HB ALA 82 3.792 8.383 -4.494 641 2HB ALA 82 2HB ALA 82 4.377 6.883 -3.736 642 3HB ALA 82 3HB ALA 82 4.889 8.464 -3.094 643 H ILE 83 H ILE 83 2.415 5.387 -2.935 644 HA ILE 83 HA ILE 83 3.530 4.605 -0.404 645 HB ILE 83 HB ILE 83 1.087 5.408 -0.060 646 1HG1 ILE 83 1HG1 ILE 83 1.388 2.687 1.069 647 2HG1 ILE 83 2HG1 ILE 83 2.758 3.753 1.314 648 1HG2 ILE 83 1HG2 ILE 83 0.282 4.040 -2.049 649 2HG2 ILE 83 2HG2 ILE 83 -0.658 3.901 -0.544 650 3HG2 ILE 83 3HG2 ILE 83 0.472 2.608 -1.012 651 1HD1 ILE 83 1HD1 ILE 83 0.677 5.463 1.893 652 2HD1 ILE 83 2HD1 ILE 83 1.554 4.503 3.108 653 3HD1 ILE 83 3HD1 ILE 83 0.013 3.907 2.444 654 H LEU 84 H LEU 84 4.659 2.783 -0.803 655 HA LEU 84 HA LEU 84 3.628 1.042 -2.932 656 1HB LEU 84 1HB LEU 84 5.887 0.599 -3.636 657 2HB LEU 84 2HB LEU 84 5.524 2.309 -3.755 658 HG LEU 84 HG LEU 84 6.711 1.809 -1.190 659 1HD1 LEU 84 1HD1 LEU 84 9.026 1.222 -2.425 660 2HD1 LEU 84 2HD1 LEU 84 7.900 0.296 -3.448 661 3HD1 LEU 84 3HD1 LEU 84 7.962 -0.004 -1.695 662 1HD2 LEU 84 1HD2 LEU 84 7.156 3.505 -3.580 663 2HD2 LEU 84 2HD2 LEU 84 8.562 3.242 -2.521 664 3HD2 LEU 84 3HD2 LEU 84 7.065 3.938 -1.856 665 H LEU 85 H LEU 85 2.693 -0.586 -1.766 666 HA LEU 85 HA LEU 85 4.165 -1.586 0.546 667 1HB LEU 85 1HB LEU 85 1.865 -1.022 0.934 668 2HB LEU 85 2HB LEU 85 1.339 -1.996 -0.427 669 HG LEU 85 HG LEU 85 2.759 -3.766 1.241 670 1HD1 LEU 85 1HD1 LEU 85 2.342 -1.767 2.909 671 2HD1 LEU 85 2HD1 LEU 85 2.133 -3.458 3.421 672 3HD1 LEU 85 3HD1 LEU 85 0.711 -2.473 2.997 673 1HD2 LEU 85 1HD2 LEU 85 0.033 -3.378 0.223 674 2HD2 LEU 85 2HD2 LEU 85 0.118 -4.291 1.749 675 3HD2 LEU 85 3HD2 LEU 85 1.029 -4.849 0.326 676 H PHE 86 H PHE 86 4.819 -3.777 0.729 677 HA PHE 86 HA PHE 86 4.345 -5.560 -1.455 678 1HB PHE 86 1HB PHE 86 6.885 -5.753 -1.865 679 2HB PHE 86 2HB PHE 86 6.180 -4.249 -2.424 680 HD1 PHE 86 HD1 PHE 86 6.498 -2.168 -1.082 681 HD2 PHE 86 HD2 PHE 86 8.525 -5.775 -0.139 682 HE1 PHE 86 HE1 PHE 86 8.149 -0.880 0.304 683 HE2 PHE 86 HE2 PHE 86 10.175 -4.488 1.245 684 HZ PHE 86 HZ PHE 86 9.967 -2.056 1.450 685 H LYS 87 H LYS 87 4.966 -7.745 -0.949 686 HA LYS 87 HA LYS 87 5.688 -8.061 1.879 687 1HB LYS 87 1HB LYS 87 3.585 -8.970 1.778 688 2HB LYS 87 2HB LYS 87 3.735 -9.449 0.100 689 1HG LYS 87 1HG LYS 87 3.781 -11.472 1.436 690 2HG LYS 87 2HG LYS 87 5.395 -11.229 0.801 691 1HD LYS 87 1HD LYS 87 6.121 -10.219 2.948 692 2HD LYS 87 2HD LYS 87 4.495 -10.356 3.587 693 1HE LYS 87 1HE LYS 87 6.342 -12.656 2.801 694 2HE LYS 87 2HE LYS 87 5.836 -12.230 4.422 695 1HZ LYS 87 1HZ LYS 87 4.059 -13.228 2.263 696 H SER 88 H SER 88 7.695 -8.813 2.263 697 HA SER 88 HA SER 88 8.819 -10.562 0.223 698 1HB SER 88 1HB SER 88 9.836 -8.314 0.006 699 2HB SER 88 2HB SER 88 10.267 -8.322 1.704 700 HG SER 88 HG SER 88 11.805 -9.143 -0.238 701 H GLY 89 H GLY 89 8.207 -12.387 1.564 702 1HA GLY 89 2HA GLY 89 8.720 -14.001 3.053 703 2HA GLY 89 1HA GLY 89 10.154 -13.102 3.508 Start of MODEL 3 1 1H MET 1 H MET 1 -11.545 6.064 -10.170 2 HA MET 1 HA MET 1 -10.452 4.624 -11.741 3 1HB MET 1 1HB MET 1 -13.050 4.295 -12.684 4 2HB MET 1 2HB MET 1 -12.389 5.364 -13.905 5 1HG MET 1 1HG MET 1 -10.470 3.785 -14.245 6 2HG MET 1 2HG MET 1 -11.139 2.713 -13.032 7 1HE MET 1 1HE MET 1 -10.856 0.957 -15.307 8 2HE MET 1 2HE MET 1 -11.697 1.339 -16.828 9 3HE MET 1 3HE MET 1 -10.413 2.415 -16.227 10 H SER 2 H SER 2 -12.330 7.640 -12.263 11 HA SER 2 HA SER 2 -10.078 8.686 -13.767 12 1HB SER 2 1HB SER 2 -12.546 8.829 -14.577 13 2HB SER 2 2HB SER 2 -12.757 10.059 -13.346 14 HG SER 2 HG SER 2 -12.210 11.090 -15.305 15 H ASP 3 H ASP 3 -11.130 11.501 -13.037 16 HA ASP 3 HA ASP 3 -10.525 13.077 -11.671 17 1HB ASP 3 1HB ASP 3 -10.873 11.334 -9.240 18 2HB ASP 3 2HB ASP 3 -11.417 12.978 -9.504 19 HD2 ASP 3 HD ASP 3 -13.789 9.945 -9.979 20 H ARG 4 H ARG 4 -9.376 12.779 -8.899 21 HA ARG 4 HA ARG 4 -6.922 11.357 -9.471 22 1HB ARG 4 1HB ARG 4 -7.193 14.304 -8.771 23 2HB ARG 4 2HB ARG 4 -5.745 13.430 -8.312 24 1HG ARG 4 1HG ARG 4 -5.230 12.881 -10.617 25 2HG ARG 4 2HG ARG 4 -6.811 13.401 -11.168 26 1HD ARG 4 1HD ARG 4 -5.509 15.273 -11.725 27 2HD ARG 4 2HD ARG 4 -6.111 15.748 -10.149 28 HE ARG 4 HE ARG 4 -3.576 14.267 -10.044 29 1HH1 ARG 4 2HH2 ARG 4 -5.065 17.471 -10.320 30 2HH1 ARG 4 1HH2 ARG 4 -3.660 18.310 -9.753 31 1HH2 ARG 4 1HH ARG 4 -1.706 17.057 -9.155 32 H LYS 5 H LYS 5 -9.484 11.276 -7.658 33 HA LYS 5 HA LYS 5 -8.588 11.762 -5.026 34 1HB LYS 5 1HB LYS 5 -10.932 11.813 -5.520 35 2HB LYS 5 2HB LYS 5 -10.905 10.188 -6.171 36 1HG LYS 5 1HG LYS 5 -9.806 9.934 -3.570 37 2HG LYS 5 2HG LYS 5 -11.136 11.059 -3.381 38 1HD LYS 5 1HD LYS 5 -11.813 8.755 -5.116 39 2HD LYS 5 2HD LYS 5 -11.362 8.277 -3.492 40 1HE LYS 5 1HE LYS 5 -13.225 10.616 -3.687 41 2HE LYS 5 2HE LYS 5 -13.889 9.073 -4.184 42 1HZ LYS 5 1HZ LYS 5 -12.660 8.397 -1.895 43 H ALA 6 H ALA 6 -6.824 10.745 -4.209 44 HA ALA 6 HA ALA 6 -5.567 9.090 -3.441 45 1HB ALA 6 1HB ALA 6 -7.099 6.747 -4.200 46 2HB ALA 6 2HB ALA 6 -8.172 7.985 -3.505 47 3HB ALA 6 3HB ALA 6 -6.770 7.399 -2.578 48 H VAL 7 H VAL 7 -7.211 7.470 -6.251 49 HA VAL 7 HA VAL 7 -6.426 6.761 -8.193 50 HB VAL 7 HB VAL 7 -3.983 8.466 -7.683 51 1HG1 VAL 7 1HG1 VAL 7 -3.549 7.081 -9.540 52 2HG1 VAL 7 2HG1 VAL 7 -4.101 8.620 -10.245 53 3HG1 VAL 7 3HG1 VAL 7 -5.213 7.232 -10.155 54 1HG2 VAL 7 1HG2 VAL 7 -5.085 10.341 -8.571 55 2HG2 VAL 7 2HG2 VAL 7 -6.269 9.632 -7.446 56 3HG2 VAL 7 3HG2 VAL 7 -6.437 9.368 -9.199 57 H ILE 8 H ILE 8 -4.535 5.413 -9.183 58 HA ILE 8 HA ILE 8 -2.873 4.202 -7.141 59 HB ILE 8 HB ILE 8 -5.232 2.904 -8.380 60 1HG1 ILE 8 1HG1 ILE 8 -4.537 1.567 -6.070 61 2HG1 ILE 8 2HG1 ILE 8 -3.962 3.190 -5.742 62 1HG2 ILE 8 1HG2 ILE 8 -2.662 1.381 -7.866 63 2HG2 ILE 8 2HG2 ILE 8 -3.382 1.708 -9.461 64 3HG2 ILE 8 3HG2 ILE 8 -4.242 0.680 -8.290 65 1HD1 ILE 8 1HD1 ILE 8 -6.436 2.625 -5.148 66 2HD1 ILE 8 2HD1 ILE 8 -6.733 2.741 -6.900 67 3HD1 ILE 8 3HD1 ILE 8 -6.118 4.152 -6.006 68 H LYS 9 H LYS 9 -0.905 3.564 -7.959 69 HA LYS 9 HA LYS 9 -0.518 4.134 -10.783 70 1HB LYS 9 1HB LYS 9 1.211 4.033 -8.352 71 2HB LYS 9 2HB LYS 9 1.959 3.651 -9.889 72 1HG LYS 9 1HG LYS 9 2.227 5.986 -9.787 73 2HG LYS 9 2HG LYS 9 0.782 5.830 -10.766 74 1HD LYS 9 1HD LYS 9 -0.418 7.002 -9.243 75 2HD LYS 9 2HD LYS 9 -0.031 5.833 -7.997 76 1HE LYS 9 1HE LYS 9 1.093 7.556 -7.000 77 2HE LYS 9 2HE LYS 9 2.356 7.213 -8.166 78 1HZ LYS 9 1HZ LYS 9 0.743 9.521 -8.002 79 H ASN 10 H ASN 10 0.760 1.597 -8.514 80 HA ASN 10 HA ASN 10 0.152 -0.308 -10.633 81 1HB ASN 10 1HB ASN 10 2.709 0.395 -9.947 82 2HB ASN 10 2HB ASN 10 2.445 -0.870 -8.764 83 1HD2 ASN 10 2HD2 ASN 10 4.072 -2.066 -9.828 84 2HD2 ASN 10 1HD2 ASN 10 3.746 -2.972 -11.267 85 H ALA 11 H ALA 11 -0.294 -2.546 -9.782 86 HA ALA 11 HA ALA 11 -0.584 -2.804 -6.917 87 1HB ALA 11 1HB ALA 11 -2.877 -2.864 -6.810 88 2HB ALA 11 2HB ALA 11 -3.049 -3.442 -8.484 89 3HB ALA 11 3HB ALA 11 -2.711 -1.723 -8.165 90 H ASP 12 H ASP 12 -1.262 -4.163 -10.208 91 HA ASP 12 HA ASP 12 -1.213 -6.218 -10.950 92 1HB ASP 12 1HB ASP 12 1.363 -5.853 -9.431 93 2HB ASP 12 2HB ASP 12 1.015 -7.463 -10.032 94 HD2 ASP 12 HD ASP 12 0.270 -4.475 -11.535 95 H MET 13 H MET 13 -3.130 -6.491 -9.217 96 HA MET 13 HA MET 13 -2.693 -8.999 -7.990 97 1HB MET 13 1HB MET 13 -3.151 -8.308 -5.667 98 2HB MET 13 2HB MET 13 -1.778 -7.387 -6.253 99 1HG MET 13 1HG MET 13 -3.896 -5.759 -7.013 100 2HG MET 13 2HG MET 13 -4.510 -6.452 -5.526 101 1HE MET 13 1HE MET 13 -2.622 -7.038 -3.700 102 2HE MET 13 2HE MET 13 -1.708 -5.692 -2.980 103 3HE MET 13 3HE MET 13 -3.488 -5.645 -3.005 104 H SER 14 H SER 14 -4.893 -9.246 -6.347 105 HA SER 14 HA SER 14 -6.995 -8.876 -8.276 106 1HB SER 14 1HB SER 14 -6.979 -11.066 -7.384 107 2HB SER 14 2HB SER 14 -6.654 -10.511 -5.755 108 HG SER 14 HG SER 14 -9.104 -10.746 -7.124 109 H GLU 15 H GLU 15 -9.016 -7.788 -7.789 110 HA GLU 15 HA GLU 15 -8.762 -5.424 -6.481 111 1HB GLU 15 1HB GLU 15 -10.657 -6.541 -8.065 112 2HB GLU 15 2HB GLU 15 -11.487 -6.678 -6.529 113 1HG GLU 15 1HG GLU 15 -10.804 -4.152 -6.198 114 2HG GLU 15 2HG GLU 15 -10.519 -4.163 -7.928 115 HE2 GLU 15 HE GLU 15 -12.200 -3.250 -8.759 116 H GLU 16 H GLU 16 -9.194 -8.608 -5.142 117 HA GLU 16 HA GLU 16 -10.582 -7.958 -2.837 118 1HB GLU 16 1HB GLU 16 -8.968 -10.218 -3.849 119 2HB GLU 16 2HB GLU 16 -8.908 -10.062 -2.105 120 1HG GLU 16 1HG GLU 16 -11.482 -9.876 -2.158 121 2HG GLU 16 2HG GLU 16 -11.396 -10.347 -3.844 122 HE2 GLU 16 HE GLU 16 -11.714 -13.544 -2.424 123 H MET 17 H MET 17 -7.005 -8.337 -3.388 124 HA MET 17 HA MET 17 -6.476 -7.265 -0.803 125 1HB MET 17 1HB MET 17 -4.645 -7.892 -3.187 126 2HB MET 17 2HB MET 17 -4.073 -7.521 -1.573 127 1HG MET 17 1HG MET 17 -4.108 -9.812 -1.330 128 2HG MET 17 2HG MET 17 -5.798 -9.541 -0.954 129 1HE MET 17 1HE MET 17 -3.880 -11.954 -3.925 130 2HE MET 17 2HE MET 17 -3.678 -11.568 -2.200 131 3HE MET 17 3HE MET 17 -4.969 -12.679 -2.718 132 H GLN 18 H GLN 18 -6.495 -6.124 -4.191 133 HA GLN 18 HA GLN 18 -5.071 -3.778 -3.725 134 1HB GLN 18 1HB GLN 18 -5.467 -4.763 -5.976 135 2HB GLN 18 2HB GLN 18 -7.174 -4.391 -5.849 136 1HG GLN 18 1HG GLN 18 -6.308 -1.915 -5.392 137 2HG GLN 18 2HG GLN 18 -4.840 -2.489 -6.159 138 1HE2 GLN 18 2HE2 GLN 18 -7.436 -0.781 -6.766 139 2HE2 GLN 18 1HE2 GLN 18 -7.790 -1.175 -8.416 140 H GLN 19 H GLN 19 -8.607 -4.546 -3.715 141 HA GLN 19 HA GLN 19 -9.341 -1.883 -3.189 142 1HB GLN 19 1HB GLN 19 -10.758 -3.791 -4.218 143 2HB GLN 19 2HB GLN 19 -11.008 -4.352 -2.578 144 1HG GLN 19 1HG GLN 19 -11.904 -1.740 -3.834 145 2HG GLN 19 2HG GLN 19 -12.877 -2.938 -3.007 146 1HE2 GLN 19 2HE2 GLN 19 -12.383 -3.314 -0.695 147 2HE2 GLN 19 1HE2 GLN 19 -11.985 -1.956 0.305 148 H ASP 20 H ASP 20 -9.183 -4.882 -1.141 149 HA ASP 20 HA ASP 20 -9.992 -3.760 1.193 150 1HB ASP 20 1HB ASP 20 -9.482 -6.205 0.717 151 2HB ASP 20 2HB ASP 20 -7.775 -5.835 0.863 152 HD2 ASP 20 HD ASP 20 -9.471 -7.524 3.153 153 H ALA 21 H ALA 21 -6.639 -4.089 -0.184 154 HA ALA 21 HA ALA 21 -5.266 -2.919 1.922 155 1HB ALA 21 1HB ALA 21 -4.204 -4.197 0.120 156 2HB ALA 21 2HB ALA 21 -3.493 -2.567 0.213 157 3HB ALA 21 3HB ALA 21 -4.671 -2.953 -1.064 158 H VAL 22 H VAL 22 -5.987 -1.335 -1.273 159 HA VAL 22 HA VAL 22 -5.376 1.200 -0.607 160 HB VAL 22 HB VAL 22 -6.363 0.017 -2.760 161 1HG1 VAL 22 1HG1 VAL 22 -8.748 1.714 -2.297 162 2HG1 VAL 22 2HG1 VAL 22 -8.691 0.195 -1.369 163 3HG1 VAL 22 3HG1 VAL 22 -8.589 0.157 -3.144 164 1HG2 VAL 22 1HG2 VAL 22 -5.485 1.963 -3.443 165 2HG2 VAL 22 2HG2 VAL 22 -5.950 2.794 -1.939 166 3HG2 VAL 22 3HG2 VAL 22 -7.121 2.641 -3.271 167 H ASP 23 H ASP 23 -8.081 -0.734 0.569 168 HA ASP 23 HA ASP 23 -9.716 1.362 1.355 169 1HB ASP 23 1HB ASP 23 -9.922 -1.355 1.342 170 2HB ASP 23 2HB ASP 23 -9.573 -1.121 3.043 171 HD2 ASP 23 HD ASP 23 -12.276 1.259 3.036 172 H CYS 24 H CYS 24 -7.413 -0.749 3.250 173 HA CYS 24 HA CYS 24 -7.609 0.725 5.606 174 1HB CYS 24 1HB CYS 24 -5.694 -0.543 6.365 175 2HB CYS 24 2HB CYS 24 -6.775 -1.602 5.480 176 HG CYS 24 HG CYS 24 -3.758 -0.710 4.990 177 H ALA 25 H ALA 25 -5.658 1.029 2.631 178 HA ALA 25 HA ALA 25 -3.719 2.786 3.639 179 1HB ALA 25 1HB ALA 25 -3.073 3.012 1.390 180 2HB ALA 25 2HB ALA 25 -4.736 2.802 0.791 181 3HB ALA 25 3HB ALA 25 -3.839 1.405 1.430 182 H THR 26 H THR 26 -6.414 3.623 1.349 183 HA THR 26 HA THR 26 -6.321 6.335 1.748 184 HB THR 26 HB THR 26 -8.636 6.259 0.807 185 HG1 THR 26 HG1 THR 26 -9.761 4.323 1.064 186 1HG2 THR 26 1HG2 THR 26 -7.962 4.023 -0.778 187 2HG2 THR 26 2HG2 THR 26 -6.388 4.698 -0.291 188 3HG2 THR 26 3HG2 THR 26 -7.569 5.718 -1.147 189 H GLN 27 H GLN 27 -8.325 3.924 3.559 190 HA GLN 27 HA GLN 27 -9.607 5.741 5.143 191 1HB GLN 27 1HB GLN 27 -10.325 3.448 5.126 192 2HB GLN 27 2HB GLN 27 -8.752 2.867 5.632 193 1HG GLN 27 1HG GLN 27 -9.023 3.698 7.861 194 2HG GLN 27 2HG GLN 27 -10.338 4.762 7.400 195 1HE2 GLN 27 2HE2 GLN 27 -10.847 3.311 9.488 196 2HE2 GLN 27 1HE2 GLN 27 -11.900 1.972 9.174 197 H ALA 28 H ALA 28 -6.435 4.075 5.669 198 HA ALA 28 HA ALA 28 -5.889 4.981 8.196 199 1HB ALA 28 1HB ALA 28 -4.301 4.149 5.798 200 2HB ALA 28 2HB ALA 28 -4.345 3.454 7.436 201 3HB ALA 28 3HB ALA 28 -3.427 4.948 7.126 202 H LEU 29 H LEU 29 -5.099 6.577 5.029 203 HA LEU 29 HA LEU 29 -4.034 8.878 6.259 204 1HB LEU 29 1HB LEU 29 -3.397 8.215 4.041 205 2HB LEU 29 2HB LEU 29 -5.051 8.323 3.472 206 HG LEU 29 HG LEU 29 -3.815 10.793 4.614 207 1HD1 LEU 29 1HD1 LEU 29 -2.894 9.419 2.123 208 2HD1 LEU 29 2HD1 LEU 29 -1.983 10.390 3.304 209 3HD1 LEU 29 3HD1 LEU 29 -3.041 11.193 2.119 210 1HD2 LEU 29 1HD2 LEU 29 -5.123 11.793 2.687 211 2HD2 LEU 29 2HD2 LEU 29 -6.079 11.005 3.967 212 3HD2 LEU 29 3HD2 LEU 29 -5.799 10.167 2.421 213 H GLU 30 H GLU 30 -7.293 7.749 5.566 214 HA GLU 30 HA GLU 30 -8.375 10.392 5.796 215 1HB GLU 30 1HB GLU 30 -9.214 8.078 4.530 216 2HB GLU 30 2HB GLU 30 -10.231 8.081 5.957 217 1HG GLU 30 1HG GLU 30 -10.104 10.775 4.862 218 2HG GLU 30 2HG GLU 30 -10.541 9.653 3.589 219 HE2 GLU 30 HE GLU 30 -13.469 10.813 5.075 220 H LYS 31 H LYS 31 -6.873 8.691 8.018 221 HA LYS 31 HA LYS 31 -8.750 9.472 10.107 222 1HB LYS 31 1HB LYS 31 -9.301 7.185 9.940 223 2HB LYS 31 2HB LYS 31 -7.636 6.699 9.695 224 1HG LYS 31 1HG LYS 31 -7.355 6.447 11.929 225 2HG LYS 31 2HG LYS 31 -7.747 8.134 12.187 226 1HD LYS 31 1HD LYS 31 -10.243 6.910 11.664 227 2HD LYS 31 2HD LYS 31 -9.394 5.750 12.668 228 1HE LYS 31 1HE LYS 31 -9.085 8.540 13.619 229 2HE LYS 31 2HE LYS 31 -10.755 8.010 13.590 230 1HZ LYS 31 1HZ LYS 31 -8.527 6.600 14.959 231 H TYR 32 H TYR 32 -5.461 8.350 9.138 232 HA TYR 32 HA TYR 32 -4.361 9.637 11.509 233 1HB TYR 32 1HB TYR 32 -3.467 7.786 9.241 234 2HB TYR 32 2HB TYR 32 -2.244 8.599 10.198 235 HD1 TYR 32 HD1 TYR 32 -1.739 7.896 12.446 236 HD2 TYR 32 HD2 TYR 32 -4.992 6.122 10.306 237 HE1 TYR 32 HE1 TYR 32 -1.898 6.058 14.196 238 HE2 TYR 32 HE2 TYR 32 -5.139 4.290 12.064 239 HH TYR 32 HH TYR 32 -4.496 4.160 14.585 240 H ASN 33 H ASN 33 -2.285 10.951 11.159 241 HA ASN 33 HA ASN 33 -2.537 12.491 8.702 242 1HB ASN 33 1HB ASN 33 -3.351 13.518 11.077 243 2HB ASN 33 2HB ASN 33 -1.639 13.854 11.247 244 1HD2 ASN 33 2HD2 ASN 33 -0.651 15.371 10.009 245 2HD2 ASN 33 1HD2 ASN 33 -1.475 16.460 8.942 246 H ILE 34 H ILE 34 -0.728 10.306 10.279 247 HA ILE 34 HA ILE 34 1.807 11.654 9.652 248 HB ILE 34 HB ILE 34 1.245 9.666 11.856 249 1HG1 ILE 34 1HG1 ILE 34 1.957 12.610 12.012 250 2HG1 ILE 34 2HG1 ILE 34 0.362 11.941 12.287 251 1HG2 ILE 34 1HG2 ILE 34 3.548 9.717 10.553 252 2HG2 ILE 34 2HG2 ILE 34 3.479 9.548 12.324 253 3HG2 ILE 34 3HG2 ILE 34 3.836 11.131 11.594 254 1HD1 ILE 34 1HD1 ILE 34 2.703 10.825 13.844 255 2HD1 ILE 34 2HD1 ILE 34 0.983 10.898 14.297 256 3HD1 ILE 34 3HD1 ILE 34 1.975 12.374 14.336 257 H GLU 35 H GLU 35 2.060 10.900 7.556 258 HA GLU 35 HA GLU 35 1.294 8.650 6.444 259 1HB GLU 35 1HB GLU 35 3.995 10.025 6.163 260 2HB GLU 35 2HB GLU 35 3.486 8.734 5.094 261 1HG GLU 35 1HG GLU 35 2.307 10.221 3.859 262 2HG GLU 35 2HG GLU 35 1.290 10.566 5.243 263 HE2 GLU 35 HE GLU 35 4.622 12.700 5.351 264 H LYS 36 H LYS 36 4.192 8.974 8.580 265 HA LYS 36 HA LYS 36 5.225 6.453 8.291 266 1HB LYS 36 1HB LYS 36 5.228 8.507 10.470 267 2HB LYS 36 2HB LYS 36 5.836 6.906 10.843 268 1HG LYS 36 1HG LYS 36 6.877 7.756 8.259 269 2HG LYS 36 2HG LYS 36 7.189 9.003 9.451 270 1HD LYS 36 1HD LYS 36 8.664 7.694 10.641 271 2HD LYS 36 2HD LYS 36 7.723 6.234 10.412 272 1HE LYS 36 1HE LYS 36 8.511 6.382 7.904 273 2HE LYS 36 2HE LYS 36 9.722 7.497 8.503 274 1HZ LYS 36 1HZ LYS 36 9.551 4.640 8.900 275 H ASP 37 H ASP 37 2.643 7.576 10.577 276 HA ASP 37 HA ASP 37 2.279 5.017 11.643 277 1HB ASP 37 1HB ASP 37 1.177 7.684 11.952 278 2HB ASP 37 2HB ASP 37 -0.151 6.545 11.834 279 HD2 ASP 37 HD ASP 37 0.156 4.960 14.542 280 H ILE 38 H ILE 38 1.122 6.767 8.787 281 HA ILE 38 HA ILE 38 -1.231 5.306 8.329 282 HB ILE 38 HB ILE 38 0.586 6.813 6.443 283 1HG1 ILE 38 1HG1 ILE 38 -1.694 7.616 8.227 284 2HG1 ILE 38 2HG1 ILE 38 -0.139 8.390 7.990 285 1HG2 ILE 38 1HG2 ILE 38 -1.108 6.765 4.818 286 2HG2 ILE 38 2HG2 ILE 38 -2.316 6.136 5.964 287 3HG2 ILE 38 3HG2 ILE 38 -0.988 5.090 5.406 288 1HD1 ILE 38 1HD1 ILE 38 -2.098 9.593 6.905 289 2HD1 ILE 38 2HD1 ILE 38 -2.254 8.205 5.800 290 3HD1 ILE 38 3HD1 ILE 38 -0.772 9.192 5.787 291 H ALA 39 H ALA 39 1.979 5.067 6.630 292 HA ALA 39 HA ALA 39 1.376 2.666 5.366 293 1HB ALA 39 1HB ALA 39 3.505 4.515 5.511 294 2HB ALA 39 2HB ALA 39 3.364 3.118 4.419 295 3HB ALA 39 3HB ALA 39 4.203 2.946 5.978 296 H ALA 40 H ALA 40 2.631 3.417 8.628 297 HA ALA 40 HA ALA 40 3.473 0.802 9.237 298 1HB ALA 40 1HB ALA 40 2.598 3.142 10.976 299 2HB ALA 40 2HB ALA 40 4.258 2.746 10.473 300 3HB ALA 40 3HB ALA 40 3.384 1.667 11.587 301 H TYR 41 H TYR 41 0.336 2.497 9.301 302 HA TYR 41 HA TYR 41 -0.955 0.485 10.865 303 1HB TYR 41 1HB TYR 41 -1.654 2.901 10.697 304 2HB TYR 41 2HB TYR 41 -1.850 2.739 8.962 305 HD1 TYR 41 HD1 TYR 41 -3.365 2.153 12.227 306 HD2 TYR 41 HD2 TYR 41 -3.752 1.432 8.028 307 HE1 TYR 41 HE1 TYR 41 -5.807 1.522 12.553 308 HE2 TYR 41 HE2 TYR 41 -6.191 0.804 8.368 309 HH TYR 41 HH TYR 41 -7.489 -0.191 10.666 310 H ILE 42 H ILE 42 -0.440 1.153 7.384 311 HA ILE 42 HA ILE 42 -2.393 -0.665 6.471 312 HB ILE 42 HB ILE 42 0.080 0.432 5.124 313 1HG1 ILE 42 1HG1 ILE 42 -2.740 1.438 4.766 314 2HG1 ILE 42 2HG1 ILE 42 -1.731 2.036 6.070 315 1HG2 ILE 42 1HG2 ILE 42 -1.970 -0.104 3.257 316 2HG2 ILE 42 2HG2 ILE 42 -1.812 -1.558 4.273 317 3HG2 ILE 42 3HG2 ILE 42 -0.390 -0.909 3.422 318 1HD1 ILE 42 1HD1 ILE 42 -0.482 3.307 4.658 319 2HD1 ILE 42 2HD1 ILE 42 -1.737 2.981 3.438 320 3HD1 ILE 42 3HD1 ILE 42 -0.278 1.963 3.509 321 H LYS 43 H LYS 43 1.235 -0.925 6.598 322 HA LYS 43 HA LYS 43 1.306 -3.614 5.928 323 1HB LYS 43 1HB LYS 43 3.340 -2.574 5.709 324 2HB LYS 43 2HB LYS 43 3.173 -1.659 7.194 325 1HG LYS 43 1HG LYS 43 3.301 -4.640 7.491 326 2HG LYS 43 2HG LYS 43 4.776 -3.856 6.963 327 1HD LYS 43 1HD LYS 43 3.464 -2.417 9.190 328 2HD LYS 43 2HD LYS 43 3.880 -4.067 9.612 329 1HE LYS 43 1HE LYS 43 6.230 -3.618 8.705 330 2HE LYS 43 2HE LYS 43 5.777 -1.936 8.520 331 1HZ LYS 43 1HZ LYS 43 6.177 -1.644 10.697 332 H LYS 44 H LYS 44 1.291 -2.018 9.184 333 HA LYS 44 HA LYS 44 1.383 -4.369 10.654 334 1HB LYS 44 1HB LYS 44 1.815 -2.113 11.550 335 2HB LYS 44 2HB LYS 44 0.120 -1.706 11.367 336 1HG LYS 44 1HG LYS 44 0.525 -4.243 12.833 337 2HG LYS 44 2HG LYS 44 1.294 -2.881 13.623 338 1HD LYS 44 1HD LYS 44 -1.477 -2.381 12.615 339 2HD LYS 44 2HD LYS 44 -1.354 -3.531 13.932 340 1HE LYS 44 1HE LYS 44 -1.470 -1.594 15.194 341 2HE LYS 44 2HE LYS 44 0.265 -1.634 14.961 342 1HZ LYS 44 1HZ LYS 44 -0.447 0.524 14.326 343 H GLU 45 H GLU 45 -1.366 -2.573 9.189 344 HA GLU 45 HA GLU 45 -3.378 -3.982 10.423 345 1HB GLU 45 1HB GLU 45 -4.005 -2.026 9.248 346 2HB GLU 45 2HB GLU 45 -3.154 -2.503 7.793 347 1HG GLU 45 1HG GLU 45 -5.540 -2.798 7.403 348 2HG GLU 45 2HG GLU 45 -4.802 -4.384 7.476 349 HE2 GLU 45 HE GLU 45 -6.512 -5.331 10.306 350 H PHE 46 H PHE 46 -1.624 -4.629 7.320 351 HA PHE 46 HA PHE 46 -3.120 -6.994 6.807 352 1HB PHE 46 1HB PHE 46 -0.847 -5.374 5.707 353 2HB PHE 46 2HB PHE 46 -0.712 -7.086 5.360 354 HD1 PHE 46 HD1 PHE 46 -1.148 -7.203 3.071 355 HD2 PHE 46 HD2 PHE 46 -3.805 -5.032 5.566 356 HE1 PHE 46 HE1 PHE 46 -2.738 -6.937 1.147 357 HE2 PHE 46 HE2 PHE 46 -5.395 -4.766 3.643 358 HZ PHE 46 HZ PHE 46 -4.842 -5.721 1.456 359 H ASP 47 H ASP 47 0.456 -6.579 7.323 360 HA ASP 47 HA ASP 47 1.206 -9.046 7.680 361 1HB ASP 47 1HB ASP 47 3.080 -8.039 8.462 362 2HB ASP 47 2HB ASP 47 2.186 -6.532 8.460 363 HD2 ASP 47 HD ASP 47 2.303 -6.213 11.824 364 H LYS 48 H LYS 48 -0.579 -7.042 10.099 365 HA LYS 48 HA LYS 48 -0.475 -8.360 12.374 366 1HB LYS 48 1HB LYS 48 -1.927 -6.544 12.302 367 2HB LYS 48 2HB LYS 48 -2.812 -7.158 10.919 368 1HG LYS 48 1HG LYS 48 -4.254 -8.333 12.233 369 2HG LYS 48 2HG LYS 48 -2.953 -9.036 13.170 370 1HD LYS 48 1HD LYS 48 -3.303 -6.163 13.743 371 2HD LYS 48 2HD LYS 48 -4.763 -7.079 14.056 372 1HE LYS 48 1HE LYS 48 -2.253 -8.362 15.041 373 2HE LYS 48 2HE LYS 48 -2.658 -6.849 15.828 374 1HZ LYS 48 1HZ LYS 48 -5.035 -8.023 15.879 375 H LYS 49 H LYS 49 -3.169 -9.315 10.150 376 HA LYS 49 HA LYS 49 -2.445 -12.103 10.655 377 1HB LYS 49 1HB LYS 49 -4.487 -10.871 12.039 378 2HB LYS 49 2HB LYS 49 -5.340 -11.588 10.689 379 1HG LYS 49 1HG LYS 49 -5.324 -13.439 12.067 380 2HG LYS 49 2HG LYS 49 -3.773 -13.703 11.297 381 1HD LYS 49 1HD LYS 49 -2.614 -13.293 13.225 382 2HD LYS 49 2HD LYS 49 -3.570 -11.876 13.608 383 1HE LYS 49 1HE LYS 49 -4.869 -14.587 13.904 384 2HE LYS 49 2HE LYS 49 -3.697 -14.098 15.112 385 1HZ LYS 49 1HZ LYS 49 -5.770 -13.291 15.871 386 H TYR 50 H TYR 50 -1.503 -11.606 8.441 387 HA TYR 50 HA TYR 50 -3.523 -12.307 6.471 388 1HB TYR 50 1HB TYR 50 -3.033 -9.706 6.727 389 2HB TYR 50 2HB TYR 50 -1.452 -10.075 6.068 390 HD1 TYR 50 HD1 TYR 50 -4.379 -8.667 5.156 391 HD2 TYR 50 HD2 TYR 50 -1.845 -11.874 3.891 392 HE1 TYR 50 HE1 TYR 50 -5.312 -8.484 2.798 393 HE2 TYR 50 HE2 TYR 50 -2.785 -11.679 1.537 394 HH TYR 50 HH TYR 50 -5.248 -10.704 0.660 395 H ASN 51 H ASN 51 -0.080 -11.139 6.463 396 HA ASN 51 HA ASN 51 0.981 -13.685 6.168 397 1HB ASN 51 1HB ASN 51 -0.239 -13.034 3.824 398 2HB ASN 51 2HB ASN 51 1.280 -12.205 3.553 399 1HD2 ASN 51 2HD2 ASN 51 -0.263 -14.900 2.847 400 2HD2 ASN 51 1HD2 ASN 51 1.014 -16.068 2.775 401 HA PRO 52 HA PRO 52 3.737 -10.130 7.007 402 1HB PRO 52 1HB PRO 52 4.636 -10.924 9.463 403 2HB PRO 52 2HB PRO 52 3.278 -9.838 9.244 404 1HG PRO 52 1HG PRO 52 3.261 -12.695 10.002 405 2HG PRO 52 2HG PRO 52 1.991 -11.503 10.189 406 1HD PRO 52 1HD PRO 52 2.130 -13.566 8.200 407 2HD PRO 52 2HD PRO 52 0.922 -12.302 8.317 408 H THR 53 H THR 53 7.016 -11.203 6.681 409 HA THR 53 HA THR 53 5.077 -9.311 7.807 410 HB THR 53 HB THR 53 7.176 -9.602 9.069 411 HG1 THR 53 HG1 THR 53 6.232 -7.418 8.667 412 1HG2 THR 53 1HG2 THR 53 9.224 -8.505 7.663 413 2HG2 THR 53 2HG2 THR 53 8.371 -9.299 6.317 414 3HG2 THR 53 3HG2 THR 53 8.949 -10.264 7.697 415 H TRP 54 H TRP 54 4.853 -7.175 6.919 416 HA TRP 54 HA TRP 54 5.292 -7.224 4.021 417 1HB TRP 54 1HB TRP 54 3.343 -5.624 5.688 418 2HB TRP 54 2HB TRP 54 3.522 -5.511 3.947 419 HD1 TRP 54 HD TRP 54 2.632 -8.308 6.536 420 HE1 TRP 54 HE1 TRP 54 0.860 -9.976 5.517 421 HE3 TRP 54 HE3 TRP 54 2.455 -6.138 1.942 422 HZ2 TRP 54 HZ2 TRP 54 -0.391 -10.196 2.961 423 HZ3 TRP 54 HZ3 TRP 54 0.932 -7.140 0.242 424 HH2 TRP 54 HH TRP 54 -0.459 -9.099 0.690 425 H HIS 55 H HIS 55 5.927 -5.092 3.028 426 HA HIS 55 HA HIS 55 7.260 -3.312 4.901 427 1HB HIS 55 1HB HIS 55 8.670 -4.520 2.506 428 2HB HIS 55 2HB HIS 55 9.330 -3.327 3.607 429 HD1 HIS 55 HD1 HIS 55 9.175 -4.302 6.315 430 HD2 HIS 55 HD2 HIS 55 9.529 -7.021 3.142 431 HE1 HIS 55 HE1 HIS 55 10.071 -6.465 7.324 432 H CYS 56 H CYS 56 6.526 -1.298 4.475 433 HA CYS 56 HA CYS 56 5.900 -0.711 1.672 434 1HB CYS 56 1HB CYS 56 4.099 0.776 2.459 435 2HB CYS 56 2HB CYS 56 3.817 -0.892 2.912 436 HG CYS 56 HG CYS 56 3.066 0.657 4.876 437 H ILE 57 H ILE 57 6.214 1.642 1.118 438 HA ILE 57 HA ILE 57 7.997 3.013 2.987 439 HB ILE 57 HB ILE 57 8.544 2.578 0.049 440 1HG1 ILE 57 1HG1 ILE 57 8.949 0.658 1.732 441 2HG1 ILE 57 2HG1 ILE 57 10.230 1.095 0.620 442 1HG2 ILE 57 1HG2 ILE 57 10.784 3.685 0.830 443 2HG2 ILE 57 2HG2 ILE 57 9.762 4.385 2.107 444 3HG2 ILE 57 3HG2 ILE 57 9.383 4.692 0.396 445 1HD1 ILE 57 1HD1 ILE 57 10.293 2.657 3.135 446 2HD1 ILE 57 2HD1 ILE 57 11.609 1.804 2.294 447 3HD1 ILE 57 3HD1 ILE 57 10.511 0.907 3.369 448 H VAL 58 H VAL 58 8.088 5.364 2.625 449 HA VAL 58 HA VAL 58 5.733 6.298 1.136 450 HB VAL 58 HB VAL 58 5.454 6.292 3.609 451 1HG1 VAL 58 1HG1 VAL 58 6.979 7.125 5.016 452 2HG1 VAL 58 2HG1 VAL 58 7.072 8.657 4.113 453 3HG1 VAL 58 3HG1 VAL 58 8.075 7.271 3.620 454 1HG2 VAL 58 1HG2 VAL 58 3.982 7.853 2.962 455 2HG2 VAL 58 2HG2 VAL 58 5.116 8.554 1.783 456 3HG2 VAL 58 3HG2 VAL 58 5.186 9.051 3.492 457 H GLY 59 H GLY 59 7.225 6.530 -0.704 458 1HA GLY 59 2HA GLY 59 9.039 8.844 -0.365 459 2HA GLY 59 1HA GLY 59 9.341 7.499 -1.448 460 H ARG 60 H ARG 60 8.728 7.725 -3.561 461 HA ARG 60 HA ARG 60 6.368 9.211 -4.148 462 1HB ARG 60 1HB ARG 60 9.031 10.414 -4.415 463 2HB ARG 60 2HB ARG 60 8.243 10.324 -5.977 464 1HG ARG 60 1HG ARG 60 6.230 11.462 -5.040 465 2HG ARG 60 2HG ARG 60 6.990 11.528 -3.462 466 1HD ARG 60 1HD ARG 60 8.622 12.662 -5.696 467 2HD ARG 60 2HD ARG 60 7.152 13.542 -5.331 468 HE ARG 60 HE ARG 60 9.533 13.457 -3.703 469 1HH1 ARG 60 2HH2 ARG 60 6.001 13.588 -3.437 470 2HH1 ARG 60 1HH2 ARG 60 6.024 14.367 -1.889 471 1HH2 ARG 60 1HH ARG 60 8.126 14.883 -0.864 472 H ASN 61 H ASN 61 9.365 7.557 -5.297 473 HA ASN 61 HA ASN 61 7.716 6.064 -7.123 474 1HB ASN 61 1HB ASN 61 8.704 8.092 -8.373 475 2HB ASN 61 2HB ASN 61 10.292 7.415 -8.075 476 1HD2 ASN 61 2HD2 ASN 61 7.246 7.046 -9.727 477 2HD2 ASN 61 1HD2 ASN 61 7.726 5.844 -10.879 478 H PHE 62 H PHE 62 8.915 4.062 -7.881 479 HA PHE 62 HA PHE 62 11.397 3.549 -6.444 480 1HB PHE 62 1HB PHE 62 9.025 1.606 -6.530 481 2HB PHE 62 2HB PHE 62 10.448 1.483 -5.516 482 HD1 PHE 62 HD1 PHE 62 7.281 3.296 -6.012 483 HD2 PHE 62 HD2 PHE 62 10.576 2.631 -3.423 484 HE1 PHE 62 HE1 PHE 62 6.059 4.463 -4.156 485 HE2 PHE 62 HE2 PHE 62 9.355 3.799 -1.568 486 HZ PHE 62 HZ PHE 62 7.110 4.701 -1.956 487 H GLY 63 H GLY 63 11.112 0.626 -7.112 488 1HA GLY 63 2HA GLY 63 10.777 0.383 -9.931 489 2HA GLY 63 1HA GLY 63 12.469 0.551 -9.509 490 H SER 64 H SER 64 13.417 -1.443 -9.537 491 HA SER 64 HA SER 64 13.873 -3.491 -8.963 492 1HB SER 64 1HB SER 64 12.079 -2.666 -6.801 493 2HB SER 64 2HB SER 64 11.915 -4.381 -7.126 494 HG SER 64 HG SER 64 14.580 -3.518 -7.093 495 H TYR 65 H TYR 65 10.361 -3.871 -8.232 496 HA TYR 65 HA TYR 65 8.960 -5.437 -9.059 497 1HB TYR 65 1HB TYR 65 8.403 -3.430 -10.344 498 2HB TYR 65 2HB TYR 65 9.861 -3.559 -11.308 499 HD1 TYR 65 HD1 TYR 65 7.079 -5.968 -10.542 500 HD2 TYR 65 HD2 TYR 65 9.330 -3.901 -13.535 501 HE1 TYR 65 HE1 TYR 65 5.776 -7.173 -12.362 502 HE2 TYR 65 HE2 TYR 65 8.020 -5.113 -15.346 503 HH TYR 65 HH TYR 65 6.077 -6.252 -15.703 504 H VAL 66 H VAL 66 10.594 -5.156 -12.215 505 HA VAL 66 HA VAL 66 10.887 -8.024 -12.252 506 HB VAL 66 HB VAL 66 9.977 -6.663 -14.135 507 1HG1 VAL 66 1HG1 VAL 66 11.075 -4.894 -14.934 508 2HG1 VAL 66 2HG1 VAL 66 12.471 -5.918 -15.349 509 3HG1 VAL 66 3HG1 VAL 66 12.363 -5.169 -13.738 510 1HG2 VAL 66 1HG2 VAL 66 10.600 -8.281 -15.573 511 2HG2 VAL 66 2HG2 VAL 66 11.493 -8.949 -14.185 512 3HG2 VAL 66 3HG2 VAL 66 12.333 -7.927 -15.376 513 H THR 67 H THR 67 12.444 -7.227 -10.205 514 HA THR 67 HA THR 67 15.082 -7.835 -11.204 515 HB THR 67 HB THR 67 14.351 -5.150 -9.940 516 HG1 THR 67 HG1 THR 67 14.786 -4.635 -12.048 517 1HG2 THR 67 1HG2 THR 67 17.109 -5.194 -10.510 518 2HG2 THR 67 2HG2 THR 67 16.829 -6.734 -9.664 519 3HG2 THR 67 3HG2 THR 67 16.388 -5.197 -8.884 520 H HIS 68 H HIS 68 13.306 -6.622 -8.278 521 HA HIS 68 HA HIS 68 14.803 -8.575 -6.735 522 1HB HIS 68 1HB HIS 68 13.485 -5.995 -6.199 523 2HB HIS 68 2HB HIS 68 13.219 -7.202 -4.955 524 HD1 HIS 68 HD1 HIS 68 14.722 -5.946 -3.247 525 HD2 HIS 68 HD2 HIS 68 16.713 -7.106 -6.750 526 HE1 HIS 68 HE1 HIS 68 17.212 -5.633 -2.790 527 H GLU 69 H GLU 69 11.501 -7.726 -7.826 528 HA GLU 69 HA GLU 69 9.619 -8.806 -7.783 529 1HB GLU 69 1HB GLU 69 11.454 -11.227 -7.560 530 2HB GLU 69 2HB GLU 69 9.723 -11.366 -7.796 531 1HG GLU 69 1HG GLU 69 10.023 -9.809 -9.845 532 2HG GLU 69 2HG GLU 69 11.747 -10.062 -9.664 533 HE2 GLU 69 HE GLU 69 12.484 -11.791 -10.682 534 H THR 70 H THR 70 7.992 -9.898 -6.382 535 HA THR 70 HA THR 70 8.858 -10.580 -3.704 536 HB THR 70 HB THR 70 7.608 -8.805 -2.620 537 HG1 THR 70 HG1 THR 70 6.209 -7.498 -3.951 538 1HG2 THR 70 1HG2 THR 70 8.551 -6.712 -3.556 539 2HG2 THR 70 2HG2 THR 70 8.953 -7.555 -5.072 540 3HG2 THR 70 3HG2 THR 70 9.797 -7.983 -3.565 541 H ARG 71 H ARG 71 5.955 -10.005 -2.861 542 HA ARG 71 HA ARG 71 4.865 -12.319 -4.257 543 1HB ARG 71 1HB ARG 71 5.170 -11.721 -1.383 544 2HB ARG 71 2HB ARG 71 3.511 -12.112 -1.786 545 1HG ARG 71 1HG ARG 71 4.218 -14.282 -1.559 546 2HG ARG 71 2HG ARG 71 4.800 -14.073 -3.199 547 1HD ARG 71 1HD ARG 71 6.755 -14.829 -2.172 548 2HD ARG 71 2HD ARG 71 6.974 -13.100 -1.992 549 HE ARG 71 HE ARG 71 5.628 -13.671 0.302 550 1HH1 ARG 71 2HH2 ARG 71 8.388 -15.303 -1.207 551 2HH1 ARG 71 1HH2 ARG 71 9.038 -15.865 0.297 552 1HH2 ARG 71 1HH ARG 71 7.902 -15.330 2.338 553 H HIS 72 H HIS 72 3.745 -9.645 -2.037 554 HA HIS 72 HA HIS 72 1.753 -8.973 -4.068 555 1HB HIS 72 1HB HIS 72 1.303 -9.916 -1.307 556 2HB HIS 72 2HB HIS 72 0.426 -8.456 -1.723 557 HD1 HIS 72 HD1 HIS 72 0.109 -12.033 -1.867 558 HD2 HIS 72 HD2 HIS 72 -1.067 -8.861 -4.347 559 HE1 HIS 72 HE1 HIS 72 -1.735 -12.950 -3.375 560 H PHE 73 H PHE 73 2.038 -6.894 -4.679 561 HA PHE 73 HA PHE 73 2.778 -4.982 -2.602 562 1HB PHE 73 1HB PHE 73 4.255 -4.030 -4.640 563 2HB PHE 73 2HB PHE 73 4.907 -5.291 -3.613 564 HD1 PHE 73 HD1 PHE 73 4.285 -7.760 -4.424 565 HD2 PHE 73 HD2 PHE 73 4.387 -4.330 -6.920 566 HE1 PHE 73 HE1 PHE 73 4.603 -9.231 -6.433 567 HE2 PHE 73 HE2 PHE 73 4.704 -5.801 -8.929 568 HZ PHE 73 HZ PHE 73 4.809 -8.234 -8.661 569 H ILE 74 H ILE 74 2.338 -2.701 -3.254 570 HA ILE 74 HA ILE 74 0.834 -2.253 -5.634 571 HB ILE 74 HB ILE 74 -1.082 -3.033 -4.760 572 1HG1 ILE 74 1HG1 ILE 74 -1.032 -0.360 -3.329 573 2HG1 ILE 74 2HG1 ILE 74 -1.303 -0.552 -5.049 574 1HG2 ILE 74 1HG2 ILE 74 -1.604 -2.939 -2.257 575 2HG2 ILE 74 2HG2 ILE 74 0.106 -2.492 -2.040 576 3HG2 ILE 74 3HG2 ILE 74 -0.318 -4.050 -2.789 577 1HD1 ILE 74 1HD1 ILE 74 -3.125 -1.114 -2.776 578 2HD1 ILE 74 2HD1 ILE 74 -3.112 -2.374 -4.033 579 3HD1 ILE 74 3HD1 ILE 74 -3.507 -0.691 -4.462 580 H TYR 75 H TYR 75 1.533 -0.295 -6.283 581 HA TYR 75 HA TYR 75 2.312 1.596 -4.169 582 1HB TYR 75 1HB TYR 75 4.235 1.101 -5.514 583 2HB TYR 75 2HB TYR 75 3.265 0.791 -6.940 584 HD1 TYR 75 HD1 TYR 75 3.973 2.210 -8.638 585 HD2 TYR 75 HD2 TYR 75 3.499 3.790 -4.690 586 HE1 TYR 75 HE1 TYR 75 4.504 4.543 -9.500 587 HE2 TYR 75 HE2 TYR 75 4.031 6.117 -5.565 588 HH TYR 75 HH TYR 75 5.493 6.927 -7.749 589 H PHE 76 H PHE 76 0.869 3.216 -3.874 590 HA PHE 76 HA PHE 76 -0.243 4.454 -6.258 591 1HB PHE 76 1HB PHE 76 -2.499 4.440 -4.984 592 2HB PHE 76 2HB PHE 76 -1.988 2.878 -5.589 593 HD1 PHE 76 HD1 PHE 76 -0.504 1.487 -3.862 594 HD2 PHE 76 HD2 PHE 76 -3.230 4.562 -2.801 595 HE1 PHE 76 HE1 PHE 76 -0.679 0.533 -1.547 596 HE2 PHE 76 HE2 PHE 76 -3.406 3.606 -0.486 597 HZ PHE 76 HZ PHE 76 -2.129 1.604 0.113 598 H TYR 77 H TYR 77 -1.768 6.419 -5.313 599 HA TYR 77 HA TYR 77 0.007 7.804 -3.428 600 1HB TYR 77 1HB TYR 77 -0.648 8.491 -5.947 601 2HB TYR 77 2HB TYR 77 -2.172 8.978 -5.232 602 HD1 TYR 77 HD1 TYR 77 -2.204 11.311 -5.318 603 HD2 TYR 77 HD2 TYR 77 1.316 9.332 -3.903 604 HE1 TYR 77 HE1 TYR 77 -1.188 13.554 -4.688 605 HE2 TYR 77 HE2 TYR 77 2.320 11.582 -3.278 606 HH TYR 77 HH TYR 77 0.436 14.558 -3.631 607 H LEU 78 H LEU 78 -0.732 8.032 -1.382 608 HA LEU 78 HA LEU 78 -3.603 7.761 -0.953 609 1HB LEU 78 1HB LEU 78 -1.496 6.602 0.290 610 2HB LEU 78 2HB LEU 78 -1.737 7.994 1.328 611 HG LEU 78 HG LEU 78 -4.042 7.336 1.761 612 1HD1 LEU 78 1HD1 LEU 78 -4.352 4.756 0.828 613 2HD1 LEU 78 2HD1 LEU 78 -3.601 5.599 -0.548 614 3HD1 LEU 78 3HD1 LEU 78 -5.115 6.218 0.158 615 1HD2 LEU 78 1HD2 LEU 78 -3.233 6.155 3.451 616 2HD2 LEU 78 2HD2 LEU 78 -1.722 5.880 2.551 617 3HD2 LEU 78 3HD2 LEU 78 -3.075 4.734 2.391 618 H GLY 79 H GLY 79 -4.692 9.648 -1.213 619 1HA GLY 79 2HA GLY 79 -5.349 11.758 -0.786 620 2HA GLY 79 1HA GLY 79 -4.241 11.795 0.571 621 H GLN 80 H GLN 80 -1.904 12.273 0.135 622 HA GLN 80 HA GLN 80 -1.384 13.425 -2.443 623 1HB GLN 80 1HB GLN 80 -2.196 15.071 -0.251 624 2HB GLN 80 2HB GLN 80 -0.476 15.338 -0.461 625 1HG GLN 80 1HG GLN 80 -0.725 16.218 -2.611 626 2HG GLN 80 2HG GLN 80 -2.162 15.276 -2.953 627 1HE2 GLN 80 2HE2 GLN 80 -0.876 18.005 -1.136 628 2HE2 GLN 80 1HE2 GLN 80 -2.349 18.900 -0.979 629 H VAL 81 H VAL 81 -0.488 11.124 -0.696 630 HA VAL 81 HA VAL 81 2.358 11.801 -0.756 631 HB VAL 81 HB VAL 81 1.062 10.224 1.469 632 1HG1 VAL 81 1HG1 VAL 81 3.152 9.717 2.056 633 2HG1 VAL 81 2HG1 VAL 81 3.559 11.446 2.161 634 3HG1 VAL 81 3HG1 VAL 81 3.759 10.577 0.622 635 1HG2 VAL 81 1HG2 VAL 81 1.414 13.162 1.141 636 2HG2 VAL 81 2HG2 VAL 81 1.859 12.473 2.720 637 3HG2 VAL 81 3HG2 VAL 81 0.214 12.244 2.083 638 H ALA 82 H ALA 82 3.741 9.989 -1.220 639 HA ALA 82 HA ALA 82 2.363 7.982 -2.770 640 1HB ALA 82 1HB ALA 82 4.947 9.273 -2.726 641 2HB ALA 82 2HB ALA 82 4.230 8.245 -3.990 642 3HB ALA 82 3HB ALA 82 5.165 7.507 -2.667 643 H ILE 83 H ILE 83 2.343 5.747 -2.345 644 HA ILE 83 HA ILE 83 3.657 4.829 0.068 645 HB ILE 83 HB ILE 83 1.193 5.773 0.423 646 1HG1 ILE 83 1HG1 ILE 83 2.005 3.191 1.763 647 2HG1 ILE 83 2HG1 ILE 83 2.884 4.683 2.034 648 1HG2 ILE 83 1HG2 ILE 83 0.278 4.203 -1.311 649 2HG2 ILE 83 2HG2 ILE 83 -0.504 4.108 0.284 650 3HG2 ILE 83 3HG2 ILE 83 0.665 2.860 -0.207 651 1HD1 ILE 83 1HD1 ILE 83 0.879 5.802 2.865 652 2HD1 ILE 83 2HD1 ILE 83 1.059 4.255 3.728 653 3HD1 ILE 83 3HD1 ILE 83 -0.132 4.408 2.414 654 H LEU 84 H LEU 84 4.715 3.018 -0.516 655 HA LEU 84 HA LEU 84 3.400 1.320 -2.521 656 1HB LEU 84 1HB LEU 84 5.097 2.173 -3.776 657 2HB LEU 84 2HB LEU 84 6.161 2.413 -2.404 658 HG LEU 84 HG LEU 84 5.649 -0.420 -2.875 659 1HD1 LEU 84 1HD1 LEU 84 7.323 -0.146 -4.987 660 2HD1 LEU 84 2HD1 LEU 84 6.285 1.284 -5.209 661 3HD1 LEU 84 3HD1 LEU 84 5.558 -0.339 -5.123 662 1HD2 LEU 84 1HD2 LEU 84 7.440 0.488 -1.450 663 2HD2 LEU 84 2HD2 LEU 84 8.207 1.207 -2.887 664 3HD2 LEU 84 3HD2 LEU 84 8.069 -0.562 -2.742 665 H LEU 85 H LEU 85 2.661 -0.449 -1.474 666 HA LEU 85 HA LEU 85 4.290 -1.452 0.745 667 1HB LEU 85 1HB LEU 85 2.080 -0.897 1.414 668 2HB LEU 85 2HB LEU 85 1.373 -1.736 0.049 669 HG LEU 85 HG LEU 85 2.776 -3.751 1.314 670 1HD1 LEU 85 1HD1 LEU 85 1.954 -1.704 3.327 671 2HD1 LEU 85 2HD1 LEU 85 3.349 -2.808 3.314 672 3HD1 LEU 85 3HD1 LEU 85 1.730 -3.425 3.723 673 1HD2 LEU 85 1HD2 LEU 85 0.263 -3.358 0.436 674 2HD2 LEU 85 2HD2 LEU 85 -0.026 -3.347 2.192 675 3HD2 LEU 85 3HD2 LEU 85 0.754 -4.752 1.428 676 H PHE 86 H PHE 86 4.927 -3.653 0.823 677 HA PHE 86 HA PHE 86 4.210 -5.398 -1.321 678 1HB PHE 86 1HB PHE 86 6.518 -5.544 -2.229 679 2HB PHE 86 2HB PHE 86 6.001 -3.871 -2.302 680 HD1 PHE 86 HD1 PHE 86 7.017 -2.191 -0.883 681 HD2 PHE 86 HD2 PHE 86 8.216 -6.253 -0.620 682 HE1 PHE 86 HE1 PHE 86 9.048 -1.507 0.423 683 HE2 PHE 86 HE2 PHE 86 10.249 -5.569 0.686 684 HZ PHE 86 HZ PHE 86 10.639 -3.204 1.190 685 H LYS 87 H LYS 87 4.669 -7.575 -0.823 686 HA LYS 87 HA LYS 87 5.830 -7.939 1.848 687 1HB LYS 87 1HB LYS 87 3.663 -8.696 2.048 688 2HB LYS 87 2HB LYS 87 3.569 -9.246 0.388 689 1HG LYS 87 1HG LYS 87 3.687 -11.213 1.808 690 2HG LYS 87 2HG LYS 87 5.209 -11.088 0.945 691 1HD LYS 87 1HD LYS 87 6.280 -10.040 2.921 692 2HD LYS 87 2HD LYS 87 4.754 -10.052 3.783 693 1HE LYS 87 1HE LYS 87 5.594 -12.035 4.621 694 2HE LYS 87 2HE LYS 87 4.867 -12.689 3.166 695 1HZ LYS 87 1HZ LYS 87 7.370 -11.810 2.394 696 H SER 88 H SER 88 7.984 -8.331 1.561 697 HA SER 88 HA SER 88 8.580 -10.541 -0.236 698 1HB SER 88 1HB SER 88 10.677 -9.413 -0.921 699 2HB SER 88 2HB SER 88 9.269 -8.476 -1.377 700 HG SER 88 HG SER 88 10.263 -7.852 1.176 701 H GLY 89 H GLY 89 9.338 -12.190 1.036 702 1HA GLY 89 2HA GLY 89 11.397 -11.603 3.013 703 2HA GLY 89 1HA GLY 89 9.895 -12.267 3.629 Start of MODEL 4 1 1H MET 1 H MET 1 -16.075 20.813 -8.000 2 HA MET 1 HA MET 1 -14.317 19.981 -9.020 3 1HB MET 1 1HB MET 1 -13.760 22.934 -8.621 4 2HB MET 1 2HB MET 1 -12.501 21.969 -9.366 5 1HG MET 1 1HG MET 1 -14.110 21.194 -11.110 6 2HG MET 1 2HG MET 1 -15.393 22.116 -10.354 7 1HE MET 1 1HE MET 1 -15.160 24.646 -13.054 8 2HE MET 1 2HE MET 1 -14.990 22.909 -13.403 9 3HE MET 1 3HE MET 1 -16.091 23.455 -12.114 10 H SER 2 H SER 2 -13.705 18.484 -7.271 11 HA SER 2 HA SER 2 -11.022 19.027 -6.438 12 1HB SER 2 1HB SER 2 -11.581 18.357 -4.024 13 2HB SER 2 2HB SER 2 -12.053 19.972 -4.510 14 HG SER 2 HG SER 2 -13.945 17.862 -4.863 15 H ASP 3 H ASP 3 -10.888 17.251 -8.096 16 HA ASP 3 HA ASP 3 -11.935 14.727 -7.152 17 1HB ASP 3 1HB ASP 3 -10.879 13.964 -9.428 18 2HB ASP 3 2HB ASP 3 -12.341 14.926 -9.457 19 HD2 ASP 3 HD ASP 3 -11.749 17.003 -11.187 20 H ARG 4 H ARG 4 -10.520 13.868 -5.584 21 HA ARG 4 HA ARG 4 -7.803 13.477 -6.474 22 1HB ARG 4 1HB ARG 4 -8.646 14.896 -3.922 23 2HB ARG 4 2HB ARG 4 -7.136 14.008 -3.963 24 1HG ARG 4 1HG ARG 4 -6.102 15.615 -5.207 25 2HG ARG 4 2HG ARG 4 -7.435 15.709 -6.341 26 1HD ARG 4 1HD ARG 4 -8.481 17.443 -5.197 27 2HD ARG 4 2HD ARG 4 -7.943 16.880 -3.626 28 HE ARG 4 HE ARG 4 -6.083 18.271 -3.825 29 1HH1 ARG 4 2HH2 ARG 4 -7.315 17.605 -7.079 30 2HH1 ARG 4 1HH2 ARG 4 -6.192 18.670 -7.856 31 1HH2 ARG 4 1HH ARG 4 -4.607 19.879 -6.526 32 H LYS 5 H LYS 5 -10.205 11.760 -6.250 33 HA LYS 5 HA LYS 5 -10.359 10.294 -3.940 34 1HB LYS 5 1HB LYS 5 -11.441 10.200 -6.516 35 2HB LYS 5 2HB LYS 5 -10.648 8.649 -6.331 36 1HG LYS 5 1HG LYS 5 -12.530 8.019 -5.206 37 2HG LYS 5 2HG LYS 5 -11.863 8.920 -3.858 38 1HD LYS 5 1HD LYS 5 -13.126 10.850 -5.549 39 2HD LYS 5 2HD LYS 5 -14.237 9.498 -5.444 40 1HE LYS 5 1HE LYS 5 -12.936 10.438 -2.890 41 2HE LYS 5 2HE LYS 5 -14.191 11.447 -3.582 42 1HZ LYS 5 1HZ LYS 5 -14.601 8.546 -3.134 43 H ALA 6 H ALA 6 -9.629 7.908 -3.694 44 HA ALA 6 HA ALA 6 -6.819 7.919 -3.587 45 1HB ALA 6 1HB ALA 6 -8.988 6.438 -2.530 46 2HB ALA 6 2HB ALA 6 -7.262 6.272 -2.126 47 3HB ALA 6 3HB ALA 6 -7.976 5.267 -3.410 48 H VAL 7 H VAL 7 -5.693 8.051 -5.502 49 HA VAL 7 HA VAL 7 -6.590 6.504 -7.766 50 HB VAL 7 HB VAL 7 -4.296 8.409 -7.289 51 1HG1 VAL 7 1HG1 VAL 7 -5.070 6.914 -9.814 52 2HG1 VAL 7 2HG1 VAL 7 -3.528 6.829 -8.931 53 3HG1 VAL 7 3HG1 VAL 7 -3.986 8.326 -9.779 54 1HG2 VAL 7 1HG2 VAL 7 -6.629 9.339 -7.374 55 2HG2 VAL 7 2HG2 VAL 7 -6.755 8.722 -9.038 56 3HG2 VAL 7 3HG2 VAL 7 -5.541 9.961 -8.638 57 H ILE 8 H ILE 8 -4.898 5.145 -8.977 58 HA ILE 8 HA ILE 8 -2.999 3.891 -7.166 59 HB ILE 8 HB ILE 8 -5.460 2.627 -8.239 60 1HG1 ILE 8 1HG1 ILE 8 -4.615 1.214 -6.049 61 2HG1 ILE 8 2HG1 ILE 8 -3.952 2.799 -5.708 62 1HG2 ILE 8 1HG2 ILE 8 -4.422 0.393 -8.243 63 2HG2 ILE 8 2HG2 ILE 8 -2.822 1.147 -8.038 64 3HG2 ILE 8 3HG2 ILE 8 -3.763 1.448 -9.517 65 1HD1 ILE 8 1HD1 ILE 8 -6.017 3.374 -4.964 66 2HD1 ILE 8 2HD1 ILE 8 -6.747 1.910 -5.664 67 3HD1 ILE 8 3HD1 ILE 8 -6.533 3.364 -6.668 68 H LYS 9 H LYS 9 -1.140 3.203 -8.207 69 HA LYS 9 HA LYS 9 -1.021 3.923 -11.028 70 1HB LYS 9 1HB LYS 9 0.993 3.628 -8.818 71 2HB LYS 9 2HB LYS 9 1.518 3.494 -10.484 72 1HG LYS 9 1HG LYS 9 1.651 5.773 -10.432 73 2HG LYS 9 2HG LYS 9 -0.090 5.739 -10.624 74 1HD LYS 9 1HD LYS 9 -0.191 6.882 -8.658 75 2HD LYS 9 2HD LYS 9 0.204 5.364 -7.876 76 1HE LYS 9 1HE LYS 9 2.696 6.381 -8.781 77 2HE LYS 9 2HE LYS 9 1.841 7.777 -8.155 78 1HZ LYS 9 1HZ LYS 9 1.905 5.284 -6.576 79 H ASN 10 H ASN 10 1.236 1.578 -9.696 80 HA ASN 10 HA ASN 10 -0.037 -0.406 -11.407 81 1HB ASN 10 1HB ASN 10 2.666 0.539 -11.264 82 2HB ASN 10 2HB ASN 10 2.694 -1.087 -10.613 83 1HD2 ASN 10 2HD2 ASN 10 4.057 -1.205 -12.641 84 2HD2 ASN 10 1HD2 ASN 10 3.274 -1.710 -14.101 85 H ALA 11 H ALA 11 -0.951 -2.134 -10.280 86 HA ALA 11 HA ALA 11 0.378 -3.155 -7.936 87 1HB ALA 11 1HB ALA 11 -2.499 -2.218 -7.684 88 2HB ALA 11 2HB ALA 11 -1.117 -1.215 -7.181 89 3HB ALA 11 3HB ALA 11 -1.407 -2.787 -6.398 90 H ASP 12 H ASP 12 0.520 -4.694 -9.916 91 HA ASP 12 HA ASP 12 -1.671 -5.909 -10.967 92 1HB ASP 12 1HB ASP 12 1.178 -6.375 -10.816 93 2HB ASP 12 2HB ASP 12 0.370 -7.907 -10.543 94 HD2 ASP 12 HD ASP 12 0.445 -8.169 -13.988 95 H MET 13 H MET 13 -3.346 -6.571 -9.546 96 HA MET 13 HA MET 13 -2.876 -8.916 -8.060 97 1HB MET 13 1HB MET 13 -2.299 -6.566 -6.668 98 2HB MET 13 2HB MET 13 -3.983 -6.810 -6.245 99 1HG MET 13 1HG MET 13 -2.599 -7.955 -4.585 100 2HG MET 13 2HG MET 13 -3.435 -9.168 -5.533 101 1HE MET 13 1HE MET 13 -2.489 -10.904 -6.771 102 2HE MET 13 2HE MET 13 -0.776 -11.379 -6.675 103 3HE MET 13 3HE MET 13 -1.742 -11.231 -5.187 104 H SER 14 H SER 14 -5.040 -9.362 -6.634 105 HA SER 14 HA SER 14 -7.154 -8.920 -8.532 106 1HB SER 14 1HB SER 14 -6.964 -11.186 -7.805 107 2HB SER 14 2HB SER 14 -6.799 -10.728 -6.122 108 HG SER 14 HG SER 14 -9.200 -10.035 -7.529 109 H GLU 15 H GLU 15 -9.208 -7.950 -7.975 110 HA GLU 15 HA GLU 15 -9.096 -5.701 -6.502 111 1HB GLU 15 1HB GLU 15 -10.953 -6.799 -8.107 112 2HB GLU 15 2HB GLU 15 -11.717 -7.180 -6.576 113 1HG GLU 15 1HG GLU 15 -12.153 -4.963 -6.073 114 2HG GLU 15 2HG GLU 15 -10.679 -4.385 -6.826 115 HE2 GLU 15 HE GLU 15 -14.078 -4.250 -8.704 116 H GLU 16 H GLU 16 -9.331 -8.995 -5.359 117 HA GLU 16 HA GLU 16 -10.658 -8.589 -2.980 118 1HB GLU 16 1HB GLU 16 -9.386 -10.718 -4.286 119 2HB GLU 16 2HB GLU 16 -8.470 -10.554 -2.803 120 1HG GLU 16 1HG GLU 16 -10.200 -11.303 -1.506 121 2HG GLU 16 2HG GLU 16 -11.384 -10.331 -2.357 122 HE2 GLU 16 HE GLU 16 -11.863 -11.822 -4.878 123 H MET 17 H MET 17 -7.059 -8.840 -3.501 124 HA MET 17 HA MET 17 -6.610 -7.727 -0.921 125 1HB MET 17 1HB MET 17 -5.119 -9.464 -1.955 126 2HB MET 17 2HB MET 17 -4.729 -8.365 -3.263 127 1HG MET 17 1HG MET 17 -3.862 -6.733 -1.445 128 2HG MET 17 2HG MET 17 -4.000 -8.064 -0.316 129 1HE MET 17 1HE MET 17 -0.270 -7.187 -1.926 130 2HE MET 17 2HE MET 17 -1.683 -6.192 -1.499 131 3HE MET 17 3HE MET 17 -0.984 -7.305 -0.300 132 H GLN 18 H GLN 18 -6.670 -6.600 -4.300 133 HA GLN 18 HA GLN 18 -5.250 -4.243 -3.874 134 1HB GLN 18 1HB GLN 18 -5.732 -5.278 -6.110 135 2HB GLN 18 2HB GLN 18 -7.417 -4.827 -5.944 136 1HG GLN 18 1HG GLN 18 -6.936 -2.786 -6.800 137 2HG GLN 18 2HG GLN 18 -5.927 -2.454 -5.407 138 1HE2 GLN 18 2HE2 GLN 18 -5.672 -1.740 -8.259 139 2HE2 GLN 18 1HE2 GLN 18 -4.111 -2.286 -8.774 140 H GLN 19 H GLN 19 -8.775 -5.044 -3.759 141 HA GLN 19 HA GLN 19 -9.517 -2.381 -3.232 142 1HB GLN 19 1HB GLN 19 -10.951 -4.285 -4.221 143 2HB GLN 19 2HB GLN 19 -11.140 -4.869 -2.581 144 1HG GLN 19 1HG GLN 19 -12.055 -2.203 -3.727 145 2HG GLN 19 2HG GLN 19 -13.045 -3.462 -3.013 146 1HE2 GLN 19 2HE2 GLN 19 -11.660 -0.525 -2.517 147 2HE2 GLN 19 1HE2 GLN 19 -11.615 -0.459 -0.786 148 H ASP 20 H ASP 20 -9.252 -5.368 -1.180 149 HA ASP 20 HA ASP 20 -10.018 -4.238 1.173 150 1HB ASP 20 1HB ASP 20 -9.403 -6.696 0.573 151 2HB ASP 20 2HB ASP 20 -7.747 -6.253 0.938 152 HD2 ASP 20 HD ASP 20 -7.723 -7.393 3.473 153 H ALA 21 H ALA 21 -6.698 -4.577 -0.283 154 HA ALA 21 HA ALA 21 -5.281 -3.379 1.779 155 1HB ALA 21 1HB ALA 21 -4.272 -4.688 -0.043 156 2HB ALA 21 2HB ALA 21 -3.538 -3.070 0.044 157 3HB ALA 21 3HB ALA 21 -4.738 -3.434 -1.218 158 H VAL 22 H VAL 22 -6.032 -1.834 -1.426 159 HA VAL 22 HA VAL 22 -5.420 0.709 -0.798 160 HB VAL 22 HB VAL 22 -6.368 -0.453 -2.940 161 1HG1 VAL 22 1HG1 VAL 22 -8.864 0.713 -1.670 162 2HG1 VAL 22 2HG1 VAL 22 -8.589 -0.956 -2.224 163 3HG1 VAL 22 3HG1 VAL 22 -8.717 0.364 -3.409 164 1HG2 VAL 22 1HG2 VAL 22 -6.416 2.408 -2.089 165 2HG2 VAL 22 2HG2 VAL 22 -7.212 1.995 -3.628 166 3HG2 VAL 22 3HG2 VAL 22 -5.492 1.609 -3.385 167 H ASP 23 H ASP 23 -8.108 -1.210 0.438 168 HA ASP 23 HA ASP 23 -9.737 0.891 1.215 169 1HB ASP 23 1HB ASP 23 -9.789 -1.898 1.346 170 2HB ASP 23 2HB ASP 23 -9.681 -1.450 3.036 171 HD2 ASP 23 HD ASP 23 -12.342 0.618 2.937 172 H CYS 24 H CYS 24 -7.399 -1.178 3.108 173 HA CYS 24 HA CYS 24 -7.567 0.337 5.442 174 1HB CYS 24 1HB CYS 24 -5.613 -0.907 6.184 175 2HB CYS 24 2HB CYS 24 -6.745 -1.981 5.386 176 HG CYS 24 HG CYS 24 -3.948 -2.182 4.930 177 H ALA 25 H ALA 25 -5.514 0.487 2.497 178 HA ALA 25 HA ALA 25 -3.631 2.311 3.451 179 1HB ALA 25 1HB ALA 25 -4.446 2.443 0.589 180 2HB ALA 25 2HB ALA 25 -3.964 0.839 1.193 181 3HB ALA 25 3HB ALA 25 -2.836 2.211 1.311 182 H THR 26 H THR 26 -6.271 3.055 1.071 183 HA THR 26 HA THR 26 -6.194 5.777 1.351 184 HB THR 26 HB THR 26 -8.599 3.949 0.832 185 HG1 THR 26 HG1 THR 26 -7.758 4.335 -1.395 186 1HG2 THR 26 1HG2 THR 26 -9.551 5.785 -0.391 187 2HG2 THR 26 2HG2 THR 26 -8.029 6.709 -0.335 188 3HG2 THR 26 3HG2 THR 26 -9.007 6.513 1.139 189 H GLN 27 H GLN 27 -8.197 3.450 3.268 190 HA GLN 27 HA GLN 27 -9.512 5.324 4.747 191 1HB GLN 27 1HB GLN 27 -10.163 3.000 4.834 192 2HB GLN 27 2HB GLN 27 -8.592 2.508 5.435 193 1HG GLN 27 1HG GLN 27 -8.979 3.447 7.592 194 2HG GLN 27 2HG GLN 27 -10.266 4.487 7.015 195 1HE2 GLN 27 2HE2 GLN 27 -11.095 3.350 9.063 196 2HE2 GLN 27 1HE2 GLN 27 -12.065 1.935 8.823 197 H ALA 28 H ALA 28 -6.266 3.840 5.280 198 HA ALA 28 HA ALA 28 -5.767 4.882 7.790 199 1HB ALA 28 1HB ALA 28 -3.405 4.501 7.213 200 2HB ALA 28 2HB ALA 28 -3.834 4.384 5.488 201 3HB ALA 28 3HB ALA 28 -4.417 3.154 6.636 202 H LEU 29 H LEU 29 -4.940 6.256 4.527 203 HA LEU 29 HA LEU 29 -3.937 8.656 5.604 204 1HB LEU 29 1HB LEU 29 -3.838 7.407 3.203 205 2HB LEU 29 2HB LEU 29 -5.024 8.649 2.857 206 HG LEU 29 HG LEU 29 -2.936 9.978 4.201 207 1HD1 LEU 29 1HD1 LEU 29 -1.856 7.625 3.180 208 2HD1 LEU 29 2HD1 LEU 29 -0.969 9.093 3.658 209 3HD1 LEU 29 3HD1 LEU 29 -1.457 8.861 1.962 210 1HD2 LEU 29 1HD2 LEU 29 -4.040 11.199 2.598 211 2HD2 LEU 29 2HD2 LEU 29 -4.008 9.879 1.405 212 3HD2 LEU 29 3HD2 LEU 29 -2.527 10.809 1.744 213 H GLU 30 H GLU 30 -7.118 7.386 5.349 214 HA GLU 30 HA GLU 30 -8.255 10.049 5.259 215 1HB GLU 30 1HB GLU 30 -9.056 7.674 4.082 216 2HB GLU 30 2HB GLU 30 -10.091 7.729 5.494 217 1HG GLU 30 1HG GLU 30 -9.766 10.188 3.742 218 2HG GLU 30 2HG GLU 30 -10.878 8.916 3.278 219 HE2 GLU 30 HE GLU 30 -10.348 11.233 5.939 220 H LYS 31 H LYS 31 -6.856 8.191 7.544 221 HA LYS 31 HA LYS 31 -8.753 9.092 9.588 222 1HB LYS 31 1HB LYS 31 -9.219 6.801 9.534 223 2HB LYS 31 2HB LYS 31 -7.552 6.355 9.233 224 1HG LYS 31 1HG LYS 31 -6.892 6.798 11.484 225 2HG LYS 31 2HG LYS 31 -8.308 7.780 11.806 226 1HD LYS 31 1HD LYS 31 -8.868 4.954 11.006 227 2HD LYS 31 2HD LYS 31 -8.069 5.150 12.553 228 1HE LYS 31 1HE LYS 31 -10.068 7.130 12.594 229 2HE LYS 31 2HE LYS 31 -10.848 5.780 11.795 230 1HZ LYS 31 1HZ LYS 31 -11.068 5.623 14.213 231 H TYR 32 H TYR 32 -5.405 7.842 8.941 232 HA TYR 32 HA TYR 32 -4.450 9.502 11.140 233 1HB TYR 32 1HB TYR 32 -3.508 7.198 9.376 234 2HB TYR 32 2HB TYR 32 -2.283 8.173 10.163 235 HD1 TYR 32 HD1 TYR 32 -5.020 5.768 10.689 236 HD2 TYR 32 HD2 TYR 32 -1.960 8.087 12.580 237 HE1 TYR 32 HE1 TYR 32 -5.280 4.394 12.813 238 HE2 TYR 32 HE2 TYR 32 -2.230 6.704 14.696 239 HH TYR 32 HH TYR 32 -3.769 5.339 15.767 240 H ASN 33 H ASN 33 -2.457 10.823 10.810 241 HA ASN 33 HA ASN 33 -2.529 11.972 8.133 242 1HB ASN 33 1HB ASN 33 -3.001 13.270 10.499 243 2HB ASN 33 2HB ASN 33 -1.261 13.462 10.421 244 1HD2 ASN 33 2HD2 ASN 33 -0.338 14.321 8.425 245 2HD2 ASN 33 1HD2 ASN 33 -1.204 15.524 7.529 246 H ILE 34 H ILE 34 -0.617 10.519 10.744 247 HA ILE 34 HA ILE 34 1.913 11.267 9.598 248 HB ILE 34 HB ILE 34 1.215 9.376 11.847 249 1HG1 ILE 34 1HG1 ILE 34 2.444 11.985 12.457 250 2HG1 ILE 34 2HG1 ILE 34 0.824 12.095 11.797 251 1HG2 ILE 34 1HG2 ILE 34 3.563 9.419 10.489 252 2HG2 ILE 34 2HG2 ILE 34 3.402 9.002 12.212 253 3HG2 ILE 34 3HG2 ILE 34 3.877 10.649 11.737 254 1HD1 ILE 34 1HD1 ILE 34 0.370 10.094 13.548 255 2HD1 ILE 34 2HD1 ILE 34 0.282 11.804 14.030 256 3HD1 ILE 34 3HD1 ILE 34 1.750 10.861 14.371 257 H GLU 35 H GLU 35 1.714 10.445 7.433 258 HA GLU 35 HA GLU 35 0.886 8.127 6.551 259 1HB GLU 35 1HB GLU 35 2.005 9.830 5.150 260 2HB GLU 35 2HB GLU 35 3.562 9.402 5.830 261 1HG GLU 35 1HG GLU 35 1.822 7.326 4.443 262 2HG GLU 35 2HG GLU 35 2.903 8.360 3.530 263 HE2 GLU 35 HE GLU 35 5.171 7.227 6.229 264 H LYS 36 H LYS 36 3.997 8.614 8.315 265 HA LYS 36 HA LYS 36 5.138 6.172 8.013 266 1HB LYS 36 1HB LYS 36 6.022 8.204 9.233 267 2HB LYS 36 2HB LYS 36 5.063 7.719 10.616 268 1HG LYS 36 1HG LYS 36 6.243 5.376 10.313 269 2HG LYS 36 2HG LYS 36 7.404 6.262 9.345 270 1HD LYS 36 1HD LYS 36 7.025 7.836 11.687 271 2HD LYS 36 2HD LYS 36 7.116 6.180 12.252 272 1HE LYS 36 1HE LYS 36 9.386 6.807 12.210 273 2HE LYS 36 2HE LYS 36 9.210 5.980 10.676 274 1HZ LYS 36 1HZ LYS 36 8.700 8.868 10.726 275 H ASP 37 H ASP 37 2.640 7.106 10.472 276 HA ASP 37 HA ASP 37 2.495 4.505 11.499 277 1HB ASP 37 1HB ASP 37 1.704 6.852 12.457 278 2HB ASP 37 2HB ASP 37 0.208 6.492 11.618 279 HD2 ASP 37 HD ASP 37 0.831 6.506 14.633 280 H ILE 38 H ILE 38 1.093 6.227 8.754 281 HA ILE 38 HA ILE 38 -1.221 4.641 8.440 282 HB ILE 38 HB ILE 38 0.301 6.255 6.392 283 1HG1 ILE 38 1HG1 ILE 38 -1.752 7.069 8.456 284 2HG1 ILE 38 2HG1 ILE 38 -0.143 7.719 8.212 285 1HG2 ILE 38 1HG2 ILE 38 -1.340 5.855 4.935 286 2HG2 ILE 38 2HG2 ILE 38 -2.607 6.100 6.161 287 3HG2 ILE 38 3HG2 ILE 38 -1.811 4.514 6.008 288 1HD1 ILE 38 1HD1 ILE 38 -0.937 9.228 6.726 289 2HD1 ILE 38 2HD1 ILE 38 -2.582 8.624 7.041 290 3HD1 ILE 38 3HD1 ILE 38 -1.613 7.924 5.722 291 H ALA 39 H ALA 39 1.786 4.722 6.396 292 HA ALA 39 HA ALA 39 1.277 2.341 5.102 293 1HB ALA 39 1HB ALA 39 3.815 3.861 5.769 294 2HB ALA 39 2HB ALA 39 2.926 3.809 4.229 295 3HB ALA 39 3HB ALA 39 3.832 2.382 4.782 296 H ALA 40 H ALA 40 2.853 3.008 8.260 297 HA ALA 40 HA ALA 40 3.781 0.376 8.652 298 1HB ALA 40 1HB ALA 40 3.181 2.701 10.516 299 2HB ALA 40 2HB ALA 40 4.763 2.201 9.871 300 3HB ALA 40 3HB ALA 40 3.921 1.176 11.059 301 H TYR 41 H TYR 41 0.674 2.039 9.148 302 HA TYR 41 HA TYR 41 -0.406 -0.016 10.813 303 1HB TYR 41 1HB TYR 41 -1.347 2.199 10.992 304 2HB TYR 41 2HB TYR 41 -1.286 2.457 9.260 305 HD1 TYR 41 HD1 TYR 41 -3.309 1.362 12.040 306 HD2 TYR 41 HD2 TYR 41 -2.968 1.256 7.777 307 HE1 TYR 41 HE1 TYR 41 -5.766 0.736 11.854 308 HE2 TYR 41 HE2 TYR 41 -5.426 0.631 7.603 309 HH TYR 41 HH TYR 41 -7.254 0.216 8.665 310 H ILE 42 H ILE 42 -0.303 0.721 7.315 311 HA ILE 42 HA ILE 42 -2.356 -1.064 6.589 312 HB ILE 42 HB ILE 42 -0.030 -0.002 4.985 313 1HG1 ILE 42 1HG1 ILE 42 -2.790 1.145 4.841 314 2HG1 ILE 42 2HG1 ILE 42 -1.788 1.577 6.213 315 1HG2 ILE 42 1HG2 ILE 42 -2.467 -0.508 3.511 316 2HG2 ILE 42 2HG2 ILE 42 -1.890 -1.987 4.315 317 3HG2 ILE 42 3HG2 ILE 42 -0.813 -1.093 3.217 318 1HD1 ILE 42 1HD1 ILE 42 -0.174 1.714 3.810 319 2HD1 ILE 42 2HD1 ILE 42 -0.599 3.020 4.942 320 3HD1 ILE 42 3HD1 ILE 42 -1.672 2.645 3.571 321 H LYS 43 H LYS 43 1.261 -1.355 6.610 322 HA LYS 43 HA LYS 43 1.289 -4.012 5.756 323 1HB LYS 43 1HB LYS 43 3.288 -2.822 5.527 324 2HB LYS 43 2HB LYS 43 3.242 -2.209 7.168 325 1HG LYS 43 1HG LYS 43 3.242 -5.121 7.228 326 2HG LYS 43 2HG LYS 43 4.560 -4.563 6.217 327 1HD LYS 43 1HD LYS 43 5.727 -4.192 8.130 328 2HD LYS 43 2HD LYS 43 4.673 -2.821 8.411 329 1HE LYS 43 1HE LYS 43 3.199 -4.094 9.819 330 2HE LYS 43 2HE LYS 43 3.849 -5.624 9.263 331 1HZ LYS 43 1HZ LYS 43 5.437 -3.641 10.803 332 H LYS 44 H LYS 44 1.302 -2.541 9.064 333 HA LYS 44 HA LYS 44 1.479 -4.955 10.440 334 1HB LYS 44 1HB LYS 44 1.964 -2.927 11.576 335 2HB LYS 44 2HB LYS 44 0.412 -2.224 11.169 336 1HG LYS 44 1HG LYS 44 -0.668 -4.152 12.509 337 2HG LYS 44 2HG LYS 44 0.942 -4.539 13.081 338 1HD LYS 44 1HD LYS 44 0.508 -3.040 14.750 339 2HD LYS 44 2HD LYS 44 0.864 -1.815 13.549 340 1HE LYS 44 1HE LYS 44 -1.258 -1.044 13.751 341 2HE LYS 44 2HE LYS 44 -1.846 -2.554 13.083 342 1HZ LYS 44 1HZ LYS 44 -1.762 -1.714 15.860 343 H GLU 45 H GLU 45 -1.333 -3.106 9.159 344 HA GLU 45 HA GLU 45 -3.288 -4.612 10.369 345 1HB GLU 45 1HB GLU 45 -3.669 -2.458 9.185 346 2HB GLU 45 2HB GLU 45 -3.349 -3.235 7.647 347 1HG GLU 45 1HG GLU 45 -5.308 -4.866 8.908 348 2HG GLU 45 2HG GLU 45 -5.813 -3.216 9.225 349 HE2 GLU 45 HE GLU 45 -7.394 -4.441 6.623 350 H PHE 46 H PHE 46 -1.590 -5.064 7.208 351 HA PHE 46 HA PHE 46 -3.100 -7.377 6.546 352 1HB PHE 46 1HB PHE 46 -0.879 -5.669 5.538 353 2HB PHE 46 2HB PHE 46 -0.613 -7.361 5.165 354 HD1 PHE 46 HD1 PHE 46 -3.769 -5.372 5.265 355 HD2 PHE 46 HD2 PHE 46 -1.051 -7.626 2.909 356 HE1 PHE 46 HE1 PHE 46 -5.316 -5.181 3.297 357 HE2 PHE 46 HE2 PHE 46 -2.598 -7.436 0.942 358 HZ PHE 46 HZ PHE 46 -4.711 -6.215 1.160 359 H ASP 47 H ASP 47 0.474 -7.030 7.140 360 HA ASP 47 HA ASP 47 1.197 -9.524 7.334 361 1HB ASP 47 1HB ASP 47 3.070 -8.630 8.258 362 2HB ASP 47 2HB ASP 47 2.221 -7.096 8.242 363 HD2 ASP 47 HD ASP 47 2.445 -9.043 11.752 364 H LYS 48 H LYS 48 -0.699 -7.697 9.785 365 HA LYS 48 HA LYS 48 -0.635 -9.085 12.014 366 1HB LYS 48 1HB LYS 48 -2.165 -7.252 11.681 367 2HB LYS 48 2HB LYS 48 -3.118 -8.177 10.537 368 1HG LYS 48 1HG LYS 48 -4.402 -8.724 12.347 369 2HG LYS 48 2HG LYS 48 -3.137 -9.881 12.707 370 1HD LYS 48 1HD LYS 48 -3.063 -8.785 14.724 371 2HD LYS 48 2HD LYS 48 -2.035 -7.663 13.853 372 1HE LYS 48 1HE LYS 48 -3.548 -5.998 14.141 373 2HE LYS 48 2HE LYS 48 -4.782 -6.938 13.324 374 1HZ LYS 48 1HZ LYS 48 -4.129 -7.524 16.142 375 H LYS 49 H LYS 49 -3.313 -10.099 9.826 376 HA LYS 49 HA LYS 49 -2.413 -12.864 10.202 377 1HB LYS 49 1HB LYS 49 -4.348 -12.018 11.751 378 2HB LYS 49 2HB LYS 49 -5.335 -12.155 10.310 379 1HG LYS 49 1HG LYS 49 -4.645 -14.536 10.044 380 2HG LYS 49 2HG LYS 49 -3.615 -14.406 11.456 381 1HD LYS 49 1HD LYS 49 -5.836 -13.609 12.672 382 2HD LYS 49 2HD LYS 49 -6.641 -14.374 11.317 383 1HE LYS 49 1HE LYS 49 -6.509 -16.185 12.781 384 2HE LYS 49 2HE LYS 49 -5.024 -16.416 11.882 385 1HZ LYS 49 1HZ LYS 49 -3.814 -15.283 13.646 386 H TYR 50 H TYR 50 -1.454 -12.186 8.020 387 HA TYR 50 HA TYR 50 -3.410 -12.915 5.983 388 1HB TYR 50 1HB TYR 50 -2.933 -10.314 6.340 389 2HB TYR 50 2HB TYR 50 -1.349 -10.661 5.677 390 HD1 TYR 50 HD1 TYR 50 -1.650 -12.311 3.421 391 HD2 TYR 50 HD2 TYR 50 -4.356 -9.308 4.821 392 HE1 TYR 50 HE1 TYR 50 -2.582 -12.046 1.071 393 HE2 TYR 50 HE2 TYR 50 -5.280 -9.052 2.466 394 HH TYR 50 HH TYR 50 -3.711 -10.376 -0.237 395 H ASN 51 H ASN 51 0.020 -11.717 6.106 396 HA ASN 51 HA ASN 51 1.114 -14.242 5.763 397 1HB ASN 51 1HB ASN 51 -0.049 -13.513 3.403 398 2HB ASN 51 2HB ASN 51 1.485 -12.691 3.202 399 1HD2 ASN 51 2HD2 ASN 51 0.011 -15.274 2.229 400 2HD2 ASN 51 1HD2 ASN 51 1.256 -16.477 2.210 401 HA PRO 52 HA PRO 52 3.806 -10.680 6.776 402 1HB PRO 52 1HB PRO 52 4.625 -11.518 9.244 403 2HB PRO 52 2HB PRO 52 3.269 -10.437 9.002 404 1HG PRO 52 1HG PRO 52 3.248 -13.309 9.702 405 2HG PRO 52 2HG PRO 52 1.963 -12.129 9.867 406 1HD PRO 52 1HD PRO 52 2.186 -14.151 7.844 407 2HD PRO 52 2HD PRO 52 0.964 -12.899 7.945 408 H THR 53 H THR 53 7.101 -11.723 6.537 409 HA THR 53 HA THR 53 5.112 -9.868 7.636 410 HB THR 53 HB THR 53 7.222 -10.213 8.919 411 HG1 THR 53 HG1 THR 53 6.572 -8.067 9.080 412 1HG2 THR 53 1HG2 THR 53 9.285 -10.238 7.931 413 2HG2 THR 53 2HG2 THR 53 8.939 -8.725 7.063 414 3HG2 THR 53 3HG2 THR 53 8.449 -10.286 6.360 415 H TRP 54 H TRP 54 4.932 -7.699 6.791 416 HA TRP 54 HA TRP 54 5.437 -7.700 3.900 417 1HB TRP 54 1HB TRP 54 3.427 -6.147 5.541 418 2HB TRP 54 2HB TRP 54 3.656 -5.995 3.811 419 HD1 TRP 54 HD TRP 54 2.735 -8.870 6.304 420 HE1 TRP 54 HE1 TRP 54 1.000 -10.524 5.201 421 HE3 TRP 54 HE3 TRP 54 2.627 -6.567 1.772 422 HZ2 TRP 54 HZ2 TRP 54 -0.197 -10.679 2.613 423 HZ3 TRP 54 HZ3 TRP 54 1.149 -7.534 0.013 424 HH2 TRP 54 HH TRP 54 -0.232 -9.517 0.375 425 H HIS 55 H HIS 55 5.875 -5.381 3.026 426 HA HIS 55 HA HIS 55 7.298 -3.761 4.971 427 1HB HIS 55 1HB HIS 55 8.569 -4.742 2.400 428 2HB HIS 55 2HB HIS 55 9.273 -3.592 3.520 429 HD1 HIS 55 HD1 HIS 55 10.409 -4.511 5.637 430 HD2 HIS 55 HD2 HIS 55 8.487 -7.458 3.353 431 HE1 HIS 55 HE1 HIS 55 11.156 -6.757 6.592 432 H CYS 56 H CYS 56 6.393 -1.777 4.805 433 HA CYS 56 HA CYS 56 5.465 -0.987 2.142 434 1HB CYS 56 1HB CYS 56 3.761 -1.186 4.024 435 2HB CYS 56 2HB CYS 56 4.549 0.182 4.784 436 HG CYS 56 HG CYS 56 3.782 0.247 1.588 437 H ILE 57 H ILE 57 6.056 1.144 1.385 438 HA ILE 57 HA ILE 57 7.992 2.563 3.055 439 HB ILE 57 HB ILE 57 8.417 1.419 0.329 440 1HG1 ILE 57 1HG1 ILE 57 9.869 1.505 2.950 441 2HG1 ILE 57 2HG1 ILE 57 9.486 0.133 1.930 442 1HG2 ILE 57 1HG2 ILE 57 10.194 2.999 -0.143 443 2HG2 ILE 57 2HG2 ILE 57 9.840 3.888 1.356 444 3HG2 ILE 57 3HG2 ILE 57 8.646 3.856 0.038 445 1HD1 ILE 57 1HD1 ILE 57 11.606 2.265 1.442 446 2HD1 ILE 57 2HD1 ILE 57 11.098 1.109 0.187 447 3HD1 ILE 57 3HD1 ILE 57 11.850 0.520 1.690 448 H VAL 58 H VAL 58 8.253 4.857 2.409 449 HA VAL 58 HA VAL 58 6.020 5.816 0.777 450 HB VAL 58 HB VAL 58 5.197 6.004 2.985 451 1HG1 VAL 58 1HG1 VAL 58 7.983 6.401 3.672 452 2HG1 VAL 58 2HG1 VAL 58 6.610 5.948 4.710 453 3HG1 VAL 58 3HG1 VAL 58 6.968 7.666 4.405 454 1HG2 VAL 58 1HG2 VAL 58 4.679 7.960 1.744 455 2HG2 VAL 58 2HG2 VAL 58 6.315 8.626 1.959 456 3HG2 VAL 58 3HG2 VAL 58 5.205 8.527 3.347 457 H GLY 59 H GLY 59 7.331 6.372 -0.967 458 1HA GLY 59 2HA GLY 59 9.311 8.488 -0.391 459 2HA GLY 59 1HA GLY 59 9.680 7.153 -1.464 460 H ARG 60 H ARG 60 8.750 7.046 -3.568 461 HA ARG 60 HA ARG 60 6.783 8.985 -4.258 462 1HB ARG 60 1HB ARG 60 9.609 9.519 -4.729 463 2HB ARG 60 2HB ARG 60 8.793 9.353 -6.270 464 1HG ARG 60 1HG ARG 60 7.742 11.355 -6.028 465 2HG ARG 60 2HG ARG 60 7.161 10.934 -4.429 466 1HD ARG 60 1HD ARG 60 8.646 12.416 -3.559 467 2HD ARG 60 2HD ARG 60 9.944 11.364 -4.086 468 HE ARG 60 HE ARG 60 9.102 13.856 -5.354 469 1HH1 ARG 60 2HH2 ARG 60 10.703 10.748 -5.933 470 2HH1 ARG 60 1HH2 ARG 60 11.588 11.319 -7.307 471 1HH2 ARG 60 1HH ARG 60 11.317 13.593 -8.015 472 H ASN 61 H ASN 61 9.220 6.529 -5.283 473 HA ASN 61 HA ASN 61 7.357 5.712 -7.364 474 1HB ASN 61 1HB ASN 61 10.266 5.958 -7.239 475 2HB ASN 61 2HB ASN 61 9.842 4.296 -7.602 476 1HD2 ASN 61 2HD2 ASN 61 10.896 4.812 -9.637 477 2HD2 ASN 61 1HD2 ASN 61 9.987 5.530 -10.925 478 H PHE 62 H PHE 62 8.307 3.052 -7.741 479 HA PHE 62 HA PHE 62 7.673 1.854 -5.138 480 1HB PHE 62 1HB PHE 62 7.025 -0.090 -6.846 481 2HB PHE 62 2HB PHE 62 5.931 1.268 -6.668 482 HD1 PHE 62 HD1 PHE 62 8.146 -0.505 -8.905 483 HD2 PHE 62 HD2 PHE 62 5.919 3.071 -8.394 484 HE1 PHE 62 HE1 PHE 62 8.309 -0.052 -11.368 485 HE2 PHE 62 HE2 PHE 62 6.081 3.523 -10.858 486 HZ PHE 62 HZ PHE 62 7.274 1.958 -12.315 487 H GLY 63 H GLY 63 10.092 2.109 -4.738 488 1HA GLY 63 2HA GLY 63 12.242 1.377 -4.864 489 2HA GLY 63 1HA GLY 63 11.456 -0.179 -4.672 490 H SER 64 H SER 64 12.831 -1.436 -5.963 491 HA SER 64 HA SER 64 13.363 -0.498 -8.628 492 1HB SER 64 1HB SER 64 14.240 -3.042 -7.190 493 2HB SER 64 2HB SER 64 14.806 -2.537 -8.769 494 HG SER 64 HG SER 64 15.673 -1.746 -6.285 495 H TYR 65 H TYR 65 11.633 -3.148 -6.893 496 HA TYR 65 HA TYR 65 10.043 -4.554 -7.535 497 1HB TYR 65 1HB TYR 65 8.603 -2.847 -8.312 498 2HB TYR 65 2HB TYR 65 9.847 -2.140 -9.324 499 HD1 TYR 65 HD1 TYR 65 7.852 -5.327 -9.184 500 HD2 TYR 65 HD2 TYR 65 9.475 -2.195 -11.606 501 HE1 TYR 65 HE1 TYR 65 6.771 -6.350 -11.244 502 HE2 TYR 65 HE2 TYR 65 8.386 -3.230 -13.658 503 HH TYR 65 HH TYR 65 6.834 -6.360 -13.490 504 H VAL 66 H VAL 66 11.174 -3.413 -10.794 505 HA VAL 66 HA VAL 66 11.333 -6.139 -11.672 506 HB VAL 66 HB VAL 66 10.488 -4.385 -13.114 507 1HG1 VAL 66 1HG1 VAL 66 12.272 -2.768 -14.092 508 2HG1 VAL 66 2HG1 VAL 66 13.179 -3.126 -12.603 509 3HG1 VAL 66 3HG1 VAL 66 11.556 -2.401 -12.503 510 1HG2 VAL 66 1HG2 VAL 66 11.248 -5.974 -14.547 511 2HG2 VAL 66 2HG2 VAL 66 12.882 -5.988 -13.840 512 3HG2 VAL 66 3HG2 VAL 66 12.417 -4.703 -14.982 513 H THR 67 H THR 67 12.940 -6.274 -9.594 514 HA THR 67 HA THR 67 15.540 -6.597 -10.793 515 HB THR 67 HB THR 67 14.948 -4.519 -8.637 516 HG1 THR 67 HG1 THR 67 15.969 -3.256 -10.260 517 1HG2 THR 67 1HG2 THR 67 16.885 -5.435 -7.657 518 2HG2 THR 67 2HG2 THR 67 17.615 -4.350 -8.864 519 3HG2 THR 67 3HG2 THR 67 17.473 -6.091 -9.204 520 H HIS 68 H HIS 68 13.908 -6.425 -7.552 521 HA HIS 68 HA HIS 68 15.140 -9.016 -7.006 522 1HB HIS 68 1HB HIS 68 15.413 -6.873 -5.520 523 2HB HIS 68 2HB HIS 68 13.816 -7.289 -4.932 524 HD1 HIS 68 HD1 HIS 68 16.957 -9.411 -5.599 525 HD2 HIS 68 HD2 HIS 68 14.122 -8.654 -2.600 526 HE1 HIS 68 HE1 HIS 68 17.569 -10.925 -3.637 527 H GLU 69 H GLU 69 12.066 -7.230 -7.283 528 HA GLU 69 HA GLU 69 9.994 -7.874 -7.354 529 1HB GLU 69 1HB GLU 69 11.362 -10.420 -8.244 530 2HB GLU 69 2HB GLU 69 9.623 -10.405 -8.038 531 1HG GLU 69 1HG GLU 69 10.031 -8.059 -9.466 532 2HG GLU 69 2HG GLU 69 11.293 -9.087 -10.116 533 HE2 GLU 69 HE GLU 69 10.209 -9.289 -12.015 534 H THR 70 H THR 70 8.246 -8.926 -6.124 535 HA THR 70 HA THR 70 9.211 -10.391 -3.765 536 HB THR 70 HB THR 70 7.754 -8.971 -2.366 537 HG1 THR 70 HG1 THR 70 6.347 -7.547 -3.437 538 1HG2 THR 70 1HG2 THR 70 9.368 -7.360 -2.269 539 2HG2 THR 70 2HG2 THR 70 8.746 -6.648 -3.777 540 3HG2 THR 70 3HG2 THR 70 9.999 -7.912 -3.840 541 H ARG 71 H ARG 71 6.331 -10.230 -2.771 542 HA ARG 71 HA ARG 71 5.388 -12.319 -4.561 543 1HB ARG 71 1HB ARG 71 5.023 -11.869 -1.568 544 2HB ARG 71 2HB ARG 71 3.980 -12.964 -2.452 545 1HG ARG 71 1HG ARG 71 7.024 -13.173 -2.497 546 2HG ARG 71 2HG ARG 71 6.026 -14.038 -1.345 547 1HD ARG 71 1HD ARG 71 5.170 -15.492 -2.954 548 2HD ARG 71 2HD ARG 71 5.246 -14.298 -4.235 549 HE ARG 71 HE ARG 71 7.438 -14.978 -4.723 550 1HH1 ARG 71 2HH2 ARG 71 6.514 -16.248 -1.547 551 2HH1 ARG 71 1HH2 ARG 71 7.926 -17.243 -1.397 552 1HH2 ARG 71 1HH ARG 71 9.548 -17.252 -3.161 553 H HIS 72 H HIS 72 3.922 -10.136 -2.035 554 HA HIS 72 HA HIS 72 1.928 -9.400 -4.052 555 1HB HIS 72 1HB HIS 72 1.617 -10.109 -1.144 556 2HB HIS 72 2HB HIS 72 0.466 -9.038 -1.917 557 HD1 HIS 72 HD1 HIS 72 -0.496 -11.757 -0.882 558 HD2 HIS 72 HD2 HIS 72 0.864 -11.120 -4.798 559 HE1 HIS 72 HE1 HIS 72 -1.519 -13.612 -2.304 560 H PHE 73 H PHE 73 2.310 -7.344 -4.705 561 HA PHE 73 HA PHE 73 2.911 -5.400 -2.602 562 1HB PHE 73 1HB PHE 73 4.310 -4.403 -4.714 563 2HB PHE 73 2HB PHE 73 5.044 -5.537 -3.599 564 HD1 PHE 73 HD1 PHE 73 4.596 -8.100 -4.241 565 HD2 PHE 73 HD2 PHE 73 4.513 -4.847 -6.965 566 HE1 PHE 73 HE1 PHE 73 5.045 -9.678 -6.141 567 HE2 PHE 73 HE2 PHE 73 4.961 -6.426 -8.864 568 HZ PHE 73 HZ PHE 73 5.222 -8.821 -8.430 569 H ILE 74 H ILE 74 2.479 -3.100 -3.348 570 HA ILE 74 HA ILE 74 0.860 -2.772 -5.675 571 HB ILE 74 HB ILE 74 -0.980 -3.562 -4.620 572 1HG1 ILE 74 1HG1 ILE 74 -0.941 -0.732 -3.532 573 2HG1 ILE 74 2HG1 ILE 74 -1.297 -1.149 -5.197 574 1HG2 ILE 74 1HG2 ILE 74 -1.433 -3.471 -2.226 575 2HG2 ILE 74 2HG2 ILE 74 0.044 -2.511 -1.968 576 3HG2 ILE 74 3HG2 ILE 74 0.164 -4.190 -2.547 577 1HD1 ILE 74 1HD1 ILE 74 -3.189 -2.604 -4.408 578 2HD1 ILE 74 2HD1 ILE 74 -3.396 -0.896 -3.955 579 3HD1 ILE 74 3HD1 ILE 74 -2.853 -2.079 -2.740 580 H TYR 75 H TYR 75 1.402 -0.808 -6.454 581 HA TYR 75 HA TYR 75 2.373 1.156 -4.491 582 1HB TYR 75 1HB TYR 75 4.111 0.471 -6.070 583 2HB TYR 75 2HB TYR 75 2.975 0.410 -7.403 584 HD1 TYR 75 HD1 TYR 75 4.352 2.913 -4.962 585 HD2 TYR 75 HD2 TYR 75 3.033 2.132 -8.956 586 HE1 TYR 75 HE1 TYR 75 5.025 5.266 -5.653 587 HE2 TYR 75 HE2 TYR 75 3.711 4.487 -9.632 588 HH TYR 75 HH TYR 75 5.342 6.625 -7.331 589 H PHE 76 H PHE 76 1.095 2.903 -4.172 590 HA PHE 76 HA PHE 76 -0.303 4.015 -6.445 591 1HB PHE 76 1HB PHE 76 -2.435 4.032 -4.959 592 2HB PHE 76 2HB PHE 76 -1.983 2.463 -5.594 593 HD1 PHE 76 HD1 PHE 76 -0.336 1.095 -3.997 594 HD2 PHE 76 HD2 PHE 76 -2.961 4.174 -2.720 595 HE1 PHE 76 HE1 PHE 76 -0.291 0.166 -1.667 596 HE2 PHE 76 HE2 PHE 76 -2.914 3.245 -0.388 597 HZ PHE 76 HZ PHE 76 -1.581 1.251 0.111 598 H TYR 77 H TYR 77 -1.747 6.000 -5.419 599 HA TYR 77 HA TYR 77 0.117 7.376 -3.601 600 1HB TYR 77 1HB TYR 77 -0.475 7.974 -6.203 601 2HB TYR 77 2HB TYR 77 -1.888 8.707 -5.471 602 HD1 TYR 77 HD1 TYR 77 1.814 8.629 -4.802 603 HD2 TYR 77 HD2 TYR 77 -1.745 10.985 -5.111 604 HE1 TYR 77 HE1 TYR 77 3.154 10.732 -4.303 605 HE2 TYR 77 HE2 TYR 77 -0.392 13.080 -4.611 606 HH TYR 77 HH TYR 77 2.493 13.075 -3.233 607 H LEU 78 H LEU 78 -0.721 7.544 -1.583 608 HA LEU 78 HA LEU 78 -3.602 7.502 -1.275 609 1HB LEU 78 1HB LEU 78 -1.251 7.272 0.582 610 2HB LEU 78 2HB LEU 78 -2.862 7.579 1.203 611 HG LEU 78 HG LEU 78 -1.921 5.159 -0.352 612 1HD1 LEU 78 1HD1 LEU 78 -3.281 4.973 2.289 613 2HD1 LEU 78 2HD1 LEU 78 -1.615 5.599 2.263 614 3HD1 LEU 78 3HD1 LEU 78 -1.973 3.989 1.593 615 1HD2 LEU 78 1HD2 LEU 78 -4.673 6.195 0.119 616 2HD2 LEU 78 2HD2 LEU 78 -4.405 4.447 0.314 617 3HD2 LEU 78 3HD2 LEU 78 -4.015 5.239 -1.231 618 H GLY 79 H GLY 79 -4.794 9.324 -1.273 619 1HA GLY 79 2HA GLY 79 -5.371 11.483 -1.054 620 2HA GLY 79 1HA GLY 79 -4.204 11.583 0.251 621 H GLN 80 H GLN 80 -1.926 12.102 -0.259 622 HA GLN 80 HA GLN 80 -1.469 13.049 -2.937 623 1HB GLN 80 1HB GLN 80 -2.389 14.870 -1.058 624 2HB GLN 80 2HB GLN 80 -0.652 15.052 -0.906 625 1HG GLN 80 1HG GLN 80 -1.419 14.882 -3.726 626 2HG GLN 80 2HG GLN 80 -2.321 16.151 -2.924 627 1HE2 GLN 80 2HE2 GLN 80 -1.057 17.628 -1.510 628 2HE2 GLN 80 1HE2 GLN 80 0.508 18.143 -2.041 629 H VAL 81 H VAL 81 -0.446 10.807 -1.434 630 HA VAL 81 HA VAL 81 2.362 11.550 -1.459 631 HB VAL 81 HB VAL 81 0.928 10.318 0.895 632 1HG1 VAL 81 1HG1 VAL 81 3.280 10.210 1.892 633 2HG1 VAL 81 2HG1 VAL 81 3.879 10.383 0.224 634 3HG1 VAL 81 3HG1 VAL 81 2.869 8.985 0.667 635 1HG2 VAL 81 1HG2 VAL 81 1.942 12.177 2.149 636 2HG2 VAL 81 2HG2 VAL 81 0.902 12.768 0.831 637 3HG2 VAL 81 3HG2 VAL 81 2.673 12.792 0.647 638 H ALA 82 H ALA 82 3.777 9.623 -1.653 639 HA ALA 82 HA ALA 82 2.403 7.594 -3.206 640 1HB ALA 82 1HB ALA 82 4.292 8.275 -4.353 641 2HB ALA 82 2HB ALA 82 4.974 6.917 -3.427 642 3HB ALA 82 3HB ALA 82 5.217 8.587 -2.863 643 H ILE 83 H ILE 83 2.615 5.311 -2.773 644 HA ILE 83 HA ILE 83 3.781 4.544 -0.251 645 HB ILE 83 HB ILE 83 1.395 5.427 0.141 646 1HG1 ILE 83 1HG1 ILE 83 1.861 2.626 1.147 647 2HG1 ILE 83 2HG1 ILE 83 2.926 3.934 1.621 648 1HG2 ILE 83 1HG2 ILE 83 0.336 4.306 -1.761 649 2HG2 ILE 83 2HG2 ILE 83 -0.399 3.812 -0.218 650 3HG2 ILE 83 3HG2 ILE 83 0.732 2.722 -1.055 651 1HD1 ILE 83 1HD1 ILE 83 0.673 3.331 2.990 652 2HD1 ILE 83 2HD1 ILE 83 -0.018 4.478 1.818 653 3HD1 ILE 83 3HD1 ILE 83 1.307 4.991 2.890 654 H LEU 84 H LEU 84 4.861 2.690 -0.632 655 HA LEU 84 HA LEU 84 3.745 0.926 -2.701 656 1HB LEU 84 1HB LEU 84 5.538 1.694 -3.846 657 2HB LEU 84 2HB LEU 84 6.451 2.090 -2.404 658 HG LEU 84 HG LEU 84 6.338 -0.684 -2.333 659 1HD1 LEU 84 1HD1 LEU 84 7.426 -0.583 -4.963 660 2HD1 LEU 84 2HD1 LEU 84 5.784 0.100 -5.014 661 3HD1 LEU 84 3HD1 LEU 84 6.049 -1.533 -4.357 662 1HD2 LEU 84 1HD2 LEU 84 8.229 1.199 -2.088 663 2HD2 LEU 84 2HD2 LEU 84 8.669 0.561 -3.690 664 3HD2 LEU 84 3HD2 LEU 84 8.597 -0.531 -2.287 665 H LEU 85 H LEU 85 2.958 -0.849 -1.709 666 HA LEU 85 HA LEU 85 4.427 -1.799 0.650 667 1HB LEU 85 1HB LEU 85 2.203 -1.125 1.202 668 2HB LEU 85 2HB LEU 85 1.525 -2.029 -0.138 669 HG LEU 85 HG LEU 85 3.013 -3.825 1.553 670 1HD1 LEU 85 1HD1 LEU 85 1.583 -1.718 2.976 671 2HD1 LEU 85 2HD1 LEU 85 2.710 -2.956 3.582 672 3HD1 LEU 85 3HD1 LEU 85 0.986 -3.347 3.377 673 1HD2 LEU 85 1HD2 LEU 85 0.081 -3.994 1.588 674 2HD2 LEU 85 2HD2 LEU 85 1.300 -5.184 1.075 675 3HD2 LEU 85 3HD2 LEU 85 0.788 -3.897 -0.042 676 H PHE 86 H PHE 86 5.049 -3.983 0.780 677 HA PHE 86 HA PHE 86 4.307 -5.781 -1.319 678 1HB PHE 86 1HB PHE 86 6.667 -6.039 -2.120 679 2HB PHE 86 2HB PHE 86 6.139 -4.383 -2.351 680 HD1 PHE 86 HD1 PHE 86 8.476 -6.562 -0.664 681 HD2 PHE 86 HD2 PHE 86 6.930 -2.611 -0.783 682 HE1 PHE 86 HE1 PHE 86 10.456 -5.749 0.647 683 HE2 PHE 86 HE2 PHE 86 8.910 -1.798 0.530 684 HZ PHE 86 HZ PHE 86 10.650 -3.376 1.228 685 H LYS 87 H LYS 87 4.760 -7.965 -0.779 686 HA LYS 87 HA LYS 87 5.678 -8.278 1.982 687 1HB LYS 87 1HB LYS 87 3.356 -9.090 0.942 688 2HB LYS 87 2HB LYS 87 4.322 -10.477 0.483 689 1HG LYS 87 1HG LYS 87 4.261 -9.357 3.322 690 2HG LYS 87 2HG LYS 87 3.191 -10.633 2.776 691 1HD LYS 87 1HD LYS 87 6.217 -10.853 2.494 692 2HD LYS 87 2HD LYS 87 5.391 -11.347 3.958 693 1HE LYS 87 1HE LYS 87 4.461 -13.217 2.974 694 2HE LYS 87 2HE LYS 87 4.191 -12.410 1.442 695 1HZ LYS 87 1HZ LYS 87 6.935 -13.095 2.309 696 H SER 88 H SER 88 7.734 -8.925 2.288 697 HA SER 88 HA SER 88 8.797 -10.793 0.335 698 1HB SER 88 1HB SER 88 10.740 -9.576 -0.072 699 2HB SER 88 2HB SER 88 9.568 -8.281 0.070 700 HG SER 88 HG SER 88 10.729 -7.516 1.684 701 H GLY 89 H GLY 89 9.286 -12.633 1.469 702 1HA GLY 89 2HA GLY 89 10.856 -13.573 3.059 703 2HA GLY 89 1HA GLY 89 10.427 -12.294 4.179 Start of MODEL 5 1 1H MET 1 H MET 1 -16.993 11.839 -11.764 2 HA MET 1 HA MET 1 -16.951 14.169 -13.200 3 1HB MET 1 1HB MET 1 -19.280 15.054 -12.609 4 2HB MET 1 2HB MET 1 -19.289 13.782 -13.815 5 1HG MET 1 1HG MET 1 -20.877 12.843 -12.440 6 2HG MET 1 2HG MET 1 -19.482 12.249 -11.559 7 1HE MET 1 1HE MET 1 -22.158 13.132 -9.047 8 2HE MET 1 2HE MET 1 -22.877 14.030 -10.404 9 3HE MET 1 3HE MET 1 -22.165 12.421 -10.679 10 H SER 2 H SER 2 -17.921 12.442 -10.224 11 HA SER 2 HA SER 2 -16.891 14.721 -8.723 12 1HB SER 2 1HB SER 2 -19.230 12.937 -8.320 13 2HB SER 2 2HB SER 2 -18.276 13.194 -6.872 14 HG SER 2 HG SER 2 -20.109 14.829 -7.839 15 H ASP 3 H ASP 3 -14.685 14.063 -8.701 16 HA ASP 3 HA ASP 3 -14.088 11.375 -7.943 17 1HB ASP 3 1HB ASP 3 -11.704 12.178 -8.118 18 2HB ASP 3 2HB ASP 3 -12.640 12.440 -9.577 19 HD2 ASP 3 HD ASP 3 -11.376 15.499 -9.695 20 H ARG 4 H ARG 4 -11.868 11.588 -6.272 21 HA ARG 4 HA ARG 4 -12.649 13.327 -4.105 22 1HB ARG 4 1HB ARG 4 -12.605 10.308 -4.039 23 2HB ARG 4 2HB ARG 4 -12.052 11.155 -2.607 24 1HG ARG 4 1HG ARG 4 -14.477 12.439 -3.500 25 2HG ARG 4 2HG ARG 4 -14.766 10.711 -3.488 26 1HD ARG 4 1HD ARG 4 -14.624 10.565 -1.194 27 2HD ARG 4 2HD ARG 4 -13.290 11.697 -1.100 28 HE ARG 4 HE ARG 4 -15.655 13.123 -1.878 29 1HH1 ARG 4 2HH2 ARG 4 -14.260 11.507 0.949 30 2HH1 ARG 4 1HH2 ARG 4 -15.122 12.486 2.089 31 1HH2 ARG 4 1HH ARG 4 -16.605 14.190 1.287 32 H LYS 5 H LYS 5 -10.496 10.491 -3.786 33 HA LYS 5 HA LYS 5 -8.126 11.681 -4.639 34 1HB LYS 5 1HB LYS 5 -9.043 12.685 -2.112 35 2HB LYS 5 2HB LYS 5 -7.610 11.714 -1.837 36 1HG LYS 5 1HG LYS 5 -6.312 13.010 -3.430 37 2HG LYS 5 2HG LYS 5 -7.743 13.818 -4.040 38 1HD LYS 5 1HD LYS 5 -7.433 14.144 -1.120 39 2HD LYS 5 2HD LYS 5 -6.054 14.762 -2.007 40 1HE LYS 5 1HE LYS 5 -7.321 16.647 -2.279 41 2HE LYS 5 2HE LYS 5 -8.132 15.742 -3.542 42 1HZ LYS 5 1HZ LYS 5 -9.335 14.960 -1.173 43 H ALA 6 H ALA 6 -8.296 9.470 -5.511 44 HA ALA 6 HA ALA 6 -6.798 7.671 -3.903 45 1HB ALA 6 1HB ALA 6 -8.384 6.264 -3.123 46 2HB ALA 6 2HB ALA 6 -9.287 6.299 -4.659 47 3HB ALA 6 3HB ALA 6 -9.538 7.580 -3.447 48 H VAL 7 H VAL 7 -5.330 7.597 -5.609 49 HA VAL 7 HA VAL 7 -6.428 6.538 -8.122 50 HB VAL 7 HB VAL 7 -4.108 8.409 -7.623 51 1HG1 VAL 7 1HG1 VAL 7 -3.171 7.449 -9.427 52 2HG1 VAL 7 2HG1 VAL 7 -4.437 8.288 -10.355 53 3HG1 VAL 7 3HG1 VAL 7 -4.669 6.592 -9.866 54 1HG2 VAL 7 1HG2 VAL 7 -5.483 10.087 -8.161 55 2HG2 VAL 7 2HG2 VAL 7 -6.826 8.932 -7.999 56 3HG2 VAL 7 3HG2 VAL 7 -6.092 9.222 -9.594 57 H ILE 8 H ILE 8 -5.266 4.833 -9.142 58 HA ILE 8 HA ILE 8 -3.126 3.689 -7.494 59 HB ILE 8 HB ILE 8 -5.687 2.472 -8.384 60 1HG1 ILE 8 1HG1 ILE 8 -4.285 1.326 -6.098 61 2HG1 ILE 8 2HG1 ILE 8 -4.461 3.064 -5.947 62 1HG2 ILE 8 1HG2 ILE 8 -3.016 1.117 -8.563 63 2HG2 ILE 8 2HG2 ILE 8 -4.432 1.001 -9.637 64 3HG2 ILE 8 3HG2 ILE 8 -4.448 0.193 -8.052 65 1HD1 ILE 8 1HD1 ILE 8 -6.708 2.917 -5.618 66 2HD1 ILE 8 2HD1 ILE 8 -6.432 1.177 -5.372 67 3HD1 ILE 8 3HD1 ILE 8 -6.912 1.783 -6.976 68 H LYS 9 H LYS 9 -1.299 3.209 -8.618 69 HA LYS 9 HA LYS 9 -1.468 3.536 -11.515 70 1HB LYS 9 1HB LYS 9 0.825 3.720 -9.549 71 2HB LYS 9 2HB LYS 9 1.060 3.706 -11.284 72 1HG LYS 9 1HG LYS 9 0.889 5.996 -10.960 73 2HG LYS 9 2HG LYS 9 -0.804 5.632 -11.227 74 1HD LYS 9 1HD LYS 9 -1.283 6.472 -9.180 75 2HD LYS 9 2HD LYS 9 -0.361 5.173 -8.452 76 1HE LYS 9 1HE LYS 9 0.992 6.829 -7.648 77 2HE LYS 9 2HE LYS 9 1.671 6.866 -9.262 78 1HZ LYS 9 1HZ LYS 9 -0.214 8.515 -9.761 79 H ASN 10 H ASN 10 0.756 1.585 -9.432 80 HA ASN 10 HA ASN 10 0.175 -0.626 -11.229 81 1HB ASN 10 1HB ASN 10 2.577 0.192 -11.034 82 2HB ASN 10 2HB ASN 10 2.552 -0.238 -9.335 83 1HD2 ASN 10 2HD2 ASN 10 1.943 -1.554 -12.575 84 2HD2 ASN 10 1HD2 ASN 10 2.522 -3.159 -12.279 85 H ALA 11 H ALA 11 -0.342 -2.718 -10.285 86 HA ALA 11 HA ALA 11 -0.416 -2.918 -7.397 87 1HB ALA 11 1HB ALA 11 -2.876 -2.861 -9.169 88 2HB ALA 11 2HB ALA 11 -2.556 -1.937 -7.682 89 3HB ALA 11 3HB ALA 11 -2.870 -3.687 -7.593 90 H ASP 12 H ASP 12 -1.251 -4.348 -10.617 91 HA ASP 12 HA ASP 12 -1.163 -6.392 -11.360 92 1HB ASP 12 1HB ASP 12 1.331 -5.709 -10.891 93 2HB ASP 12 2HB ASP 12 1.249 -6.855 -9.568 94 HD2 ASP 12 HD ASP 12 0.368 -9.391 -11.969 95 H MET 13 H MET 13 -3.144 -6.683 -9.758 96 HA MET 13 HA MET 13 -2.833 -9.176 -8.517 97 1HB MET 13 1HB MET 13 -2.452 -6.755 -6.883 98 2HB MET 13 2HB MET 13 -3.831 -7.670 -6.304 99 1HG MET 13 1HG MET 13 -2.452 -9.192 -5.336 100 2HG MET 13 2HG MET 13 -1.716 -9.550 -6.887 101 1HE MET 13 1HE MET 13 -1.023 -8.246 -3.391 102 2HE MET 13 2HE MET 13 -0.217 -6.682 -3.657 103 3HE MET 13 3HE MET 13 -1.929 -6.889 -4.101 104 H SER 14 H SER 14 -5.040 -9.337 -6.875 105 HA SER 14 HA SER 14 -7.121 -8.808 -8.788 106 1HB SER 14 1HB SER 14 -7.316 -10.995 -7.987 107 2HB SER 14 2HB SER 14 -6.801 -10.568 -6.368 108 HG SER 14 HG SER 14 -8.864 -10.462 -5.845 109 H GLU 15 H GLU 15 -8.938 -7.460 -8.394 110 HA GLU 15 HA GLU 15 -8.551 -5.233 -6.909 111 1HB GLU 15 1HB GLU 15 -10.456 -6.092 -8.669 112 2HB GLU 15 2HB GLU 15 -11.386 -6.142 -7.184 113 1HG GLU 15 1HG GLU 15 -11.407 -3.855 -6.959 114 2HG GLU 15 2HG GLU 15 -9.743 -3.683 -7.481 115 HE2 GLU 15 HE GLU 15 -9.760 -3.173 -10.218 116 H GLU 16 H GLU 16 -9.417 -8.426 -5.817 117 HA GLU 16 HA GLU 16 -10.898 -7.788 -3.578 118 1HB GLU 16 1HB GLU 16 -10.426 -10.090 -4.666 119 2HB GLU 16 2HB GLU 16 -8.936 -10.106 -3.746 120 1HG GLU 16 1HG GLU 16 -11.578 -9.557 -2.356 121 2HG GLU 16 2HG GLU 16 -11.099 -11.204 -2.715 122 HE2 GLU 16 HE GLU 16 -9.763 -11.880 -0.429 123 H MET 17 H MET 17 -7.347 -8.590 -3.784 124 HA MET 17 HA MET 17 -6.963 -7.593 -1.148 125 1HB MET 17 1HB MET 17 -4.831 -8.258 -3.242 126 2HB MET 17 2HB MET 17 -4.650 -8.315 -1.499 127 1HG MET 17 1HG MET 17 -5.125 -10.541 -1.690 128 2HG MET 17 2HG MET 17 -6.792 -10.041 -1.887 129 1HE MET 17 1HE MET 17 -3.416 -10.501 -4.169 130 2HE MET 17 2HE MET 17 -3.952 -11.826 -3.108 131 3HE MET 17 3HE MET 17 -4.083 -11.992 -4.876 132 H GLN 18 H GLN 18 -6.526 -6.429 -4.493 133 HA GLN 18 HA GLN 18 -4.842 -4.305 -3.870 134 1HB GLN 18 1HB GLN 18 -5.083 -5.090 -6.161 135 2HB GLN 18 2HB GLN 18 -6.803 -4.749 -6.160 136 1HG GLN 18 1HG GLN 18 -5.623 -2.293 -5.422 137 2HG GLN 18 2HG GLN 18 -4.544 -2.928 -6.648 138 1HE2 GLN 18 2HE2 GLN 18 -7.620 -1.592 -5.935 139 2HE2 GLN 18 1HE2 GLN 18 -8.264 -1.512 -7.541 140 H GLN 19 H GLN 19 -8.440 -4.581 -4.132 141 HA GLN 19 HA GLN 19 -8.841 -1.847 -3.600 142 1HB GLN 19 1HB GLN 19 -10.425 -3.528 -4.773 143 2HB GLN 19 2HB GLN 19 -10.871 -4.072 -3.169 144 1HG GLN 19 1HG GLN 19 -11.256 -1.306 -4.378 145 2HG GLN 19 2HG GLN 19 -12.487 -2.396 -3.774 146 1HE2 GLN 19 2HE2 GLN 19 -10.750 0.310 -3.127 147 2HE2 GLN 19 1HE2 GLN 19 -10.863 0.384 -1.401 148 H ASP 20 H ASP 20 -9.003 -4.874 -1.621 149 HA ASP 20 HA ASP 20 -9.931 -3.730 0.682 150 1HB ASP 20 1HB ASP 20 -9.564 -6.207 0.150 151 2HB ASP 20 2HB ASP 20 -7.861 -5.967 0.490 152 HD2 ASP 20 HD ASP 20 -8.401 -5.219 3.826 153 H ALA 21 H ALA 21 -6.558 -4.213 -0.567 154 HA ALA 21 HA ALA 21 -5.256 -3.180 1.698 155 1HB ALA 21 1HB ALA 21 -4.319 -3.252 -1.197 156 2HB ALA 21 2HB ALA 21 -4.255 -4.637 -0.082 157 3HB ALA 21 3HB ALA 21 -3.297 -3.176 0.258 158 H VAL 22 H VAL 22 -5.668 -1.673 -1.589 159 HA VAL 22 HA VAL 22 -4.842 0.835 -0.925 160 HB VAL 22 HB VAL 22 -5.655 -0.326 -3.149 161 1HG1 VAL 22 1HG1 VAL 22 -8.034 1.467 -2.624 162 2HG1 VAL 22 2HG1 VAL 22 -8.069 -0.279 -2.277 163 3HG1 VAL 22 3HG1 VAL 22 -7.789 0.294 -3.939 164 1HG2 VAL 22 1HG2 VAL 22 -6.242 2.540 -3.356 165 2HG2 VAL 22 2HG2 VAL 22 -4.946 1.577 -4.106 166 3HG2 VAL 22 3HG2 VAL 22 -4.752 2.192 -2.446 167 H ASP 23 H ASP 23 -7.786 -0.842 0.022 168 HA ASP 23 HA ASP 23 -9.335 1.401 0.546 169 1HB ASP 23 1HB ASP 23 -9.436 -1.467 0.984 170 2HB ASP 23 2HB ASP 23 -9.929 -0.659 2.460 171 HD2 ASP 23 HD ASP 23 -12.830 -1.284 0.452 172 H CYS 24 H CYS 24 -7.624 -0.851 2.861 173 HA CYS 24 HA CYS 24 -7.896 0.717 5.094 174 1HB CYS 24 1HB CYS 24 -5.766 -1.305 4.347 175 2HB CYS 24 2HB CYS 24 -5.849 -0.552 5.927 176 HG CYS 24 HG CYS 24 -7.180 -3.093 4.994 177 H ALA 25 H ALA 25 -5.529 0.796 2.402 178 HA ALA 25 HA ALA 25 -3.664 2.503 3.584 179 1HB ALA 25 1HB ALA 25 -3.529 1.080 1.435 180 2HB ALA 25 2HB ALA 25 -2.773 2.692 1.395 181 3HB ALA 25 3HB ALA 25 -4.362 2.434 0.634 182 H THR 26 H THR 26 -6.118 3.368 1.040 183 HA THR 26 HA THR 26 -5.909 6.084 1.275 184 HB THR 26 HB THR 26 -8.306 4.283 0.649 185 HG1 THR 26 HG1 THR 26 -7.169 4.194 -1.252 186 1HG2 THR 26 1HG2 THR 26 -8.103 6.907 -0.694 187 2HG2 THR 26 2HG2 THR 26 -8.399 7.064 1.053 188 3HG2 THR 26 3HG2 THR 26 -9.525 6.129 0.040 189 H GLN 27 H GLN 27 -8.140 3.926 3.143 190 HA GLN 27 HA GLN 27 -9.355 5.919 4.556 191 1HB GLN 27 1HB GLN 27 -9.143 3.036 4.670 192 2HB GLN 27 2HB GLN 27 -9.040 3.666 6.301 193 1HG GLN 27 1HG GLN 27 -11.213 4.473 4.313 194 2HG GLN 27 2HG GLN 27 -11.407 3.195 5.497 195 1HE2 GLN 27 2HE2 GLN 27 -13.220 4.671 6.060 196 2HE2 GLN 27 1HE2 GLN 27 -12.944 5.905 7.242 197 H ALA 28 H ALA 28 -6.203 4.292 5.093 198 HA ALA 28 HA ALA 28 -5.711 5.204 7.667 199 1HB ALA 28 1HB ALA 28 -3.666 4.813 5.453 200 2HB ALA 28 2HB ALA 28 -4.450 3.466 6.312 201 3HB ALA 28 3HB ALA 28 -3.427 4.618 7.204 202 H LEU 29 H LEU 29 -4.699 6.637 4.480 203 HA LEU 29 HA LEU 29 -3.662 8.966 5.679 204 1HB LEU 29 1HB LEU 29 -3.427 7.787 3.275 205 2HB LEU 29 2HB LEU 29 -4.600 9.025 2.867 206 HG LEU 29 HG LEU 29 -2.361 9.795 2.376 207 1HD1 LEU 29 1HD1 LEU 29 -4.196 11.314 3.422 208 2HD1 LEU 29 2HD1 LEU 29 -2.534 11.928 3.250 209 3HD1 LEU 29 3HD1 LEU 29 -3.111 11.352 4.832 210 1HD2 LEU 29 1HD2 LEU 29 -0.673 10.125 4.129 211 2HD2 LEU 29 2HD2 LEU 29 -1.100 8.409 3.929 212 3HD2 LEU 29 3HD2 LEU 29 -1.744 9.333 5.308 213 H GLU 30 H GLU 30 -6.868 7.828 5.220 214 HA GLU 30 HA GLU 30 -7.909 10.526 5.094 215 1HB GLU 30 1HB GLU 30 -8.748 8.121 3.954 216 2HB GLU 30 2HB GLU 30 -9.859 8.315 5.294 217 1HG GLU 30 1HG GLU 30 -9.275 10.637 3.424 218 2HG GLU 30 2HG GLU 30 -10.458 9.422 2.991 219 HE2 GLU 30 HE GLU 30 -11.926 9.183 5.545 220 H LYS 31 H LYS 31 -6.701 8.557 7.440 221 HA LYS 31 HA LYS 31 -8.611 9.594 9.409 222 1HB LYS 31 1HB LYS 31 -9.171 7.300 9.271 223 2HB LYS 31 2HB LYS 31 -7.496 6.798 9.176 224 1HG LYS 31 1HG LYS 31 -7.436 6.595 11.430 225 2HG LYS 31 2HG LYS 31 -7.730 8.315 11.587 226 1HD LYS 31 1HD LYS 31 -10.198 7.905 11.436 227 2HD LYS 31 2HD LYS 31 -9.900 6.183 11.287 228 1HE LYS 31 1HE LYS 31 -9.051 6.015 13.525 229 2HE LYS 31 2HE LYS 31 -8.805 7.744 13.657 230 1HZ LYS 31 1HZ LYS 31 -10.834 6.966 14.816 231 H TYR 32 H TYR 32 -5.294 8.329 8.724 232 HA TYR 32 HA TYR 32 -4.329 9.846 11.033 233 1HB TYR 32 1HB TYR 32 -3.358 7.618 9.168 234 2HB TYR 32 2HB TYR 32 -2.186 8.487 10.138 235 HD1 TYR 32 HD1 TYR 32 -5.336 6.491 10.423 236 HD2 TYR 32 HD2 TYR 32 -1.759 7.828 12.353 237 HE1 TYR 32 HE1 TYR 32 -5.812 4.950 12.388 238 HE2 TYR 32 HE2 TYR 32 -2.248 6.283 14.312 239 HH TYR 32 HH TYR 32 -4.410 3.795 14.148 240 H ASN 33 H ASN 33 -2.331 11.150 10.787 241 HA ASN 33 HA ASN 33 -2.240 12.294 8.105 242 1HB ASN 33 1HB ASN 33 -3.118 13.791 9.996 243 2HB ASN 33 2HB ASN 33 -1.538 13.679 10.745 244 1HD2 ASN 33 2HD2 ASN 33 -0.076 15.125 10.239 245 2HD2 ASN 33 1HD2 ASN 33 -0.076 16.174 8.861 246 H ILE 34 H ILE 34 -0.647 10.383 10.401 247 HA ILE 34 HA ILE 34 2.009 11.362 9.649 248 HB ILE 34 HB ILE 34 1.202 9.459 11.852 249 1HG1 ILE 34 1HG1 ILE 34 2.213 11.913 12.869 250 2HG1 ILE 34 2HG1 ILE 34 0.981 12.321 11.692 251 1HG2 ILE 34 1HG2 ILE 34 3.371 9.195 12.367 252 2HG2 ILE 34 2HG2 ILE 34 3.779 10.884 11.980 253 3HG2 ILE 34 3HG2 ILE 34 3.650 9.679 10.677 254 1HD1 ILE 34 1HD1 ILE 34 -0.724 11.321 12.904 255 2HD1 ILE 34 2HD1 ILE 34 0.371 11.727 14.248 256 3HD1 ILE 34 3HD1 ILE 34 0.349 10.076 13.585 257 H GLU 35 H GLU 35 2.825 10.420 7.859 258 HA GLU 35 HA GLU 35 1.807 8.221 6.651 259 1HB GLU 35 1HB GLU 35 3.265 9.505 5.341 260 2HB GLU 35 2HB GLU 35 4.496 9.582 6.587 261 1HG GLU 35 1HG GLU 35 3.896 6.822 5.641 262 2HG GLU 35 2HG GLU 35 4.555 7.875 4.403 263 HE2 GLU 35 HE GLU 35 5.448 5.890 6.849 264 H LYS 36 H LYS 36 4.667 8.371 8.888 265 HA LYS 36 HA LYS 36 5.434 5.785 8.865 266 1HB LYS 36 1HB LYS 36 5.308 7.797 11.113 267 2HB LYS 36 2HB LYS 36 6.005 6.206 11.344 268 1HG LYS 36 1HG LYS 36 7.741 6.592 9.757 269 2HG LYS 36 2HG LYS 36 6.882 7.915 8.993 270 1HD LYS 36 1HD LYS 36 7.096 9.141 11.290 271 2HD LYS 36 2HD LYS 36 8.278 7.912 11.696 272 1HE LYS 36 1HE LYS 36 9.793 8.615 10.013 273 2HE LYS 36 2HE LYS 36 8.543 9.404 9.074 274 1HZ LYS 36 1HZ LYS 36 8.537 11.227 10.502 275 H ASP 37 H ASP 37 2.754 7.196 10.857 276 HA ASP 37 HA ASP 37 2.083 4.743 11.994 277 1HB ASP 37 1HB ASP 37 1.193 7.474 12.088 278 2HB ASP 37 2HB ASP 37 -0.222 6.493 11.759 279 HD2 ASP 37 HD ASP 37 0.313 4.337 13.201 280 H ILE 38 H ILE 38 1.242 6.459 8.980 281 HA ILE 38 HA ILE 38 -1.075 5.002 8.351 282 HB ILE 38 HB ILE 38 0.892 6.542 6.661 283 1HG1 ILE 38 1HG1 ILE 38 -0.759 7.524 8.555 284 2HG1 ILE 38 2HG1 ILE 38 -0.297 8.401 7.110 285 1HG2 ILE 38 1HG2 ILE 38 -1.843 5.517 5.856 286 2HG2 ILE 38 2HG2 ILE 38 -0.289 4.834 5.319 287 3HG2 ILE 38 3HG2 ILE 38 -0.733 6.500 4.872 288 1HD1 ILE 38 1HD1 ILE 38 -2.339 7.531 5.940 289 2HD1 ILE 38 2HD1 ILE 38 -2.739 8.487 7.387 290 3HD1 ILE 38 3HD1 ILE 38 -2.817 6.709 7.446 291 H ALA 39 H ALA 39 2.187 4.767 6.764 292 HA ALA 39 HA ALA 39 1.698 2.349 5.536 293 1HB ALA 39 1HB ALA 39 3.908 4.151 6.013 294 2HB ALA 39 2HB ALA 39 3.678 2.984 4.689 295 3HB ALA 39 3HB ALA 39 4.456 2.469 6.205 296 H ALA 40 H ALA 40 2.616 3.117 8.889 297 HA ALA 40 HA ALA 40 3.453 0.513 9.578 298 1HB ALA 40 1HB ALA 40 4.145 2.366 10.927 299 2HB ALA 40 2HB ALA 40 3.022 1.415 11.928 300 3HB ALA 40 3HB ALA 40 2.467 2.917 11.152 301 H TYR 41 H TYR 41 0.301 2.185 9.396 302 HA TYR 41 HA TYR 41 -1.114 0.194 10.846 303 1HB TYR 41 1HB TYR 41 -1.822 2.591 10.492 304 2HB TYR 41 2HB TYR 41 -1.843 2.340 8.758 305 HD1 TYR 41 HD1 TYR 41 -3.398 0.901 11.860 306 HD2 TYR 41 HD2 TYR 41 -3.891 1.938 7.737 307 HE1 TYR 41 HE1 TYR 41 -5.851 0.243 11.980 308 HE2 TYR 41 HE2 TYR 41 -6.342 1.275 7.871 309 HH TYR 41 HH TYR 41 -7.631 -0.298 10.718 310 H ILE 42 H ILE 42 -0.392 0.808 7.372 311 HA ILE 42 HA ILE 42 -2.146 -1.183 6.416 312 HB ILE 42 HB ILE 42 0.305 0.004 5.112 313 1HG1 ILE 42 1HG1 ILE 42 -2.561 0.991 5.037 314 2HG1 ILE 42 2HG1 ILE 42 -1.267 1.730 5.959 315 1HG2 ILE 42 1HG2 ILE 42 -1.794 -0.573 3.280 316 2HG2 ILE 42 2HG2 ILE 42 -1.512 -2.026 4.270 317 3HG2 ILE 42 3HG2 ILE 42 -0.164 -1.284 3.373 318 1HD1 ILE 42 1HD1 ILE 42 -0.013 2.256 3.939 319 2HD1 ILE 42 2HD1 ILE 42 -1.688 2.809 3.703 320 3HD1 ILE 42 3HD1 ILE 42 -1.133 1.298 2.940 321 H LYS 43 H LYS 43 1.476 -1.129 6.770 322 HA LYS 43 HA LYS 43 1.914 -3.745 6.091 323 1HB LYS 43 1HB LYS 43 3.796 -2.386 6.262 324 2HB LYS 43 2HB LYS 43 3.350 -1.770 7.840 325 1HG LYS 43 1HG LYS 43 3.671 -4.698 7.867 326 2HG LYS 43 2HG LYS 43 5.126 -3.893 7.313 327 1HD LYS 43 1HD LYS 43 3.662 -2.969 9.818 328 2HD LYS 43 2HD LYS 43 4.842 -4.265 9.877 329 1HE LYS 43 1HE LYS 43 5.848 -1.936 8.374 330 2HE LYS 43 2HE LYS 43 5.389 -1.506 10.009 331 1HZ LYS 43 1HZ LYS 43 7.584 -2.263 10.209 332 H LYS 44 H LYS 44 1.214 -2.367 9.372 333 HA LYS 44 HA LYS 44 1.282 -4.847 10.671 334 1HB LYS 44 1HB LYS 44 1.540 -2.728 11.843 335 2HB LYS 44 2HB LYS 44 -0.085 -2.241 11.404 336 1HG LYS 44 1HG LYS 44 -1.021 -4.175 12.672 337 2HG LYS 44 2HG LYS 44 0.598 -4.700 13.087 338 1HD LYS 44 1HD LYS 44 -0.003 -3.480 15.001 339 2HD LYS 44 2HD LYS 44 0.883 -2.277 14.085 340 1HE LYS 44 1HE LYS 44 -0.951 -0.943 14.021 341 2HE LYS 44 2HE LYS 44 -1.854 -2.193 13.186 342 1HZ LYS 44 1HZ LYS 44 -3.006 -1.833 15.194 343 H GLU 45 H GLU 45 -1.231 -3.107 8.834 344 HA GLU 45 HA GLU 45 -3.430 -4.446 9.729 345 1HB GLU 45 1HB GLU 45 -2.752 -2.698 7.569 346 2HB GLU 45 2HB GLU 45 -3.623 -4.046 6.865 347 1HG GLU 45 1HG GLU 45 -4.632 -2.576 9.337 348 2HG GLU 45 2HG GLU 45 -5.042 -2.058 7.714 349 HE2 GLU 45 HE GLU 45 -5.939 -3.905 6.381 350 H PHE 46 H PHE 46 -1.540 -5.236 6.714 351 HA PHE 46 HA PHE 46 -2.792 -7.776 6.500 352 1HB PHE 46 1HB PHE 46 -0.552 -6.172 5.213 353 2HB PHE 46 2HB PHE 46 -0.606 -7.890 4.867 354 HD1 PHE 46 HD1 PHE 46 -3.544 -8.335 4.741 355 HD2 PHE 46 HD2 PHE 46 -1.160 -5.185 3.192 356 HE1 PHE 46 HE1 PHE 46 -5.255 -7.921 2.951 357 HE2 PHE 46 HE2 PHE 46 -2.871 -4.771 1.402 358 HZ PHE 46 HZ PHE 46 -4.898 -6.144 1.303 359 H ASP 47 H ASP 47 0.527 -6.640 7.433 360 HA ASP 47 HA ASP 47 1.844 -8.891 7.709 361 1HB ASP 47 1HB ASP 47 2.779 -6.739 8.389 362 2HB ASP 47 2HB ASP 47 1.647 -6.609 9.722 363 HD2 ASP 47 HD ASP 47 4.608 -6.850 9.366 364 H LYS 48 H LYS 48 -0.744 -7.654 9.897 365 HA LYS 48 HA LYS 48 -0.565 -9.225 12.058 366 1HB LYS 48 1HB LYS 48 -2.281 -7.557 11.820 367 2HB LYS 48 2HB LYS 48 -3.035 -8.426 10.499 368 1HG LYS 48 1HG LYS 48 -4.384 -9.198 12.208 369 2HG LYS 48 2HG LYS 48 -3.121 -10.407 12.326 370 1HD LYS 48 1HD LYS 48 -2.898 -9.772 14.498 371 2HD LYS 48 2HD LYS 48 -2.103 -8.333 13.891 372 1HE LYS 48 1HE LYS 48 -3.813 -7.024 14.604 373 2HE LYS 48 2HE LYS 48 -4.967 -7.954 13.670 374 1HZ LYS 48 1HZ LYS 48 -4.037 -8.590 16.417 375 H LYS 49 H LYS 49 -2.613 -10.224 9.225 376 HA LYS 49 HA LYS 49 -1.504 -12.892 9.445 377 1HB LYS 49 1HB LYS 49 -4.177 -12.149 10.433 378 2HB LYS 49 2HB LYS 49 -4.188 -13.486 9.302 379 1HG LYS 49 1HG LYS 49 -2.668 -14.783 10.649 380 2HG LYS 49 2HG LYS 49 -2.216 -13.396 11.619 381 1HD LYS 49 1HD LYS 49 -4.916 -13.408 12.074 382 2HD LYS 49 2HD LYS 49 -4.663 -15.118 11.785 383 1HE LYS 49 1HE LYS 49 -3.786 -15.367 13.862 384 2HE LYS 49 2HE LYS 49 -2.526 -14.205 13.496 385 1HZ LYS 49 1HZ LYS 49 -4.039 -13.585 15.393 386 H TYR 50 H TYR 50 -0.595 -11.875 7.413 387 HA TYR 50 HA TYR 50 -2.299 -12.660 5.213 388 1HB TYR 50 1HB TYR 50 -2.568 -10.105 5.947 389 2HB TYR 50 2HB TYR 50 -0.951 -9.905 5.304 390 HD1 TYR 50 HD1 TYR 50 -4.089 -11.634 4.151 391 HD2 TYR 50 HD2 TYR 50 -0.910 -8.931 3.208 392 HE1 TYR 50 HE1 TYR 50 -5.049 -11.306 1.820 393 HE2 TYR 50 HE2 TYR 50 -1.881 -8.613 0.880 394 HH TYR 50 HH TYR 50 -3.299 -9.478 -0.610 395 H ASN 51 H ASN 51 0.151 -13.701 6.444 396 HA ASN 51 HA ASN 51 1.990 -14.615 5.717 397 1HB ASN 51 1HB ASN 51 0.766 -13.800 3.245 398 2HB ASN 51 2HB ASN 51 2.456 -13.354 3.129 399 1HD2 ASN 51 2HD2 ASN 51 2.529 -14.963 1.456 400 2HD2 ASN 51 1HD2 ASN 51 2.762 -16.635 1.843 401 HA PRO 52 HA PRO 52 3.960 -10.552 6.539 402 1HB PRO 52 1HB PRO 52 4.790 -11.029 9.099 403 2HB PRO 52 2HB PRO 52 3.282 -10.222 8.715 404 1HG PRO 52 1HG PRO 52 3.714 -12.987 9.667 405 2HG PRO 52 2HG PRO 52 2.242 -12.037 9.685 406 1HD PRO 52 1HD PRO 52 2.899 -14.150 7.860 407 2HD PRO 52 2HD PRO 52 1.479 -13.122 7.807 408 H THR 53 H THR 53 7.404 -11.034 6.576 409 HA THR 53 HA THR 53 5.061 -9.482 7.436 410 HB THR 53 HB THR 53 6.898 -9.335 9.006 411 HG1 THR 53 HG1 THR 53 6.600 -7.150 8.832 412 1HG2 THR 53 1HG2 THR 53 9.122 -8.299 7.981 413 2HG2 THR 53 2HG2 THR 53 8.568 -9.080 6.481 414 3HG2 THR 53 3HG2 THR 53 8.882 -10.062 7.931 415 H TRP 54 H TRP 54 4.822 -7.269 6.556 416 HA TRP 54 HA TRP 54 5.520 -7.317 3.703 417 1HB TRP 54 1HB TRP 54 3.264 -5.890 5.124 418 2HB TRP 54 2HB TRP 54 3.602 -5.816 3.406 419 HD1 TRP 54 HD TRP 54 2.726 -8.599 6.014 420 HE1 TRP 54 HE1 TRP 54 1.235 -10.469 4.899 421 HE3 TRP 54 HE3 TRP 54 2.815 -6.616 1.333 422 HZ2 TRP 54 HZ2 TRP 54 0.280 -10.899 2.244 423 HZ3 TRP 54 HZ3 TRP 54 1.577 -7.823 -0.463 424 HH2 TRP 54 HH TRP 54 0.340 -9.893 -0.067 425 H HIS 55 H HIS 55 5.745 -4.951 2.807 426 HA HIS 55 HA HIS 55 6.924 -3.197 4.800 427 1HB HIS 55 1HB HIS 55 8.373 -4.055 2.280 428 2HB HIS 55 2HB HIS 55 8.918 -2.829 3.407 429 HD1 HIS 55 HD1 HIS 55 10.360 -3.610 5.320 430 HD2 HIS 55 HD2 HIS 55 8.249 -6.753 3.515 431 HE1 HIS 55 HE1 HIS 55 11.219 -5.758 6.393 432 H CYS 56 H CYS 56 6.247 -1.122 4.504 433 HA CYS 56 HA CYS 56 5.065 -0.534 1.888 434 1HB CYS 56 1HB CYS 56 3.652 -0.593 4.144 435 2HB CYS 56 2HB CYS 56 4.298 1.026 4.329 436 HG CYS 56 HG CYS 56 3.689 1.699 1.757 437 H ILE 57 H ILE 57 5.742 1.394 0.856 438 HA ILE 57 HA ILE 57 7.758 2.950 2.316 439 HB ILE 57 HB ILE 57 7.839 2.082 -0.576 440 1HG1 ILE 57 1HG1 ILE 57 8.405 0.410 1.333 441 2HG1 ILE 57 2HG1 ILE 57 9.489 0.561 -0.036 442 1HG2 ILE 57 1HG2 ILE 57 10.208 3.132 -0.332 443 2HG2 ILE 57 2HG2 ILE 57 9.472 4.047 1.007 444 3HG2 ILE 57 3HG2 ILE 57 8.804 4.184 -0.637 445 1HD1 ILE 57 1HD1 ILE 57 9.839 2.059 2.601 446 2HD1 ILE 57 2HD1 ILE 57 10.977 2.050 1.233 447 3HD1 ILE 57 3HD1 ILE 57 10.694 0.561 2.165 448 H VAL 58 H VAL 58 7.868 5.221 1.747 449 HA VAL 58 HA VAL 58 5.576 6.160 0.188 450 HB VAL 58 HB VAL 58 4.842 6.230 2.466 451 1HG1 VAL 58 1HG1 VAL 58 7.612 6.955 2.998 452 2HG1 VAL 58 2HG1 VAL 58 6.372 6.303 4.095 453 3HG1 VAL 58 3HG1 VAL 58 6.473 8.056 3.808 454 1HG2 VAL 58 1HG2 VAL 58 3.921 8.258 2.228 455 2HG2 VAL 58 2HG2 VAL 58 4.949 8.436 0.786 456 3HG2 VAL 58 3HG2 VAL 58 5.496 9.079 2.352 457 H GLY 59 H GLY 59 6.732 6.912 -1.559 458 1HA GLY 59 2HA GLY 59 8.610 9.098 -0.991 459 2HA GLY 59 1HA GLY 59 9.152 7.754 -1.974 460 H ARG 60 H ARG 60 8.452 7.531 -4.131 461 HA ARG 60 HA ARG 60 6.302 9.171 -5.027 462 1HB ARG 60 1HB ARG 60 7.856 10.149 -6.898 463 2HB ARG 60 2HB ARG 60 7.908 10.894 -5.313 464 1HG ARG 60 1HG ARG 60 9.881 9.383 -4.743 465 2HG ARG 60 2HG ARG 60 9.872 8.826 -6.405 466 1HD ARG 60 1HD ARG 60 9.872 11.545 -6.815 467 2HD ARG 60 2HD ARG 60 10.737 11.466 -5.293 468 HE ARG 60 HE ARG 60 12.036 9.535 -6.690 469 1HH1 ARG 60 2HH2 ARG 60 11.086 12.807 -7.662 470 2HH1 ARG 60 1HH2 ARG 60 12.398 12.992 -8.777 471 1HH2 ARG 60 1HH ARG 60 13.963 11.199 -9.054 472 H ASN 61 H ASN 61 9.128 7.061 -5.811 473 HA ASN 61 HA ASN 61 7.431 5.801 -7.821 474 1HB ASN 61 1HB ASN 61 10.090 6.925 -8.066 475 2HB ASN 61 2HB ASN 61 10.226 5.190 -8.268 476 1HD2 ASN 61 2HD2 ASN 61 10.503 4.974 -10.383 477 2HD2 ASN 61 1HD2 ASN 61 9.415 5.509 -11.618 478 H PHE 62 H PHE 62 9.136 3.534 -8.286 479 HA PHE 62 HA PHE 62 8.695 2.097 -5.825 480 1HB PHE 62 1HB PHE 62 9.983 1.088 -8.408 481 2HB PHE 62 2HB PHE 62 8.991 0.178 -7.287 482 HD1 PHE 62 HD1 PHE 62 8.971 2.528 -10.083 483 HD2 PHE 62 HD2 PHE 62 6.561 0.351 -7.352 484 HE1 PHE 62 HE1 PHE 62 6.956 2.966 -11.512 485 HE2 PHE 62 HE2 PHE 62 4.545 0.790 -8.781 486 HZ PHE 62 HZ PHE 62 4.767 2.091 -10.844 487 H GLY 63 H GLY 63 10.934 0.165 -6.810 488 1HA GLY 63 2HA GLY 63 13.298 1.710 -6.002 489 2HA GLY 63 1HA GLY 63 12.822 0.327 -5.036 490 H SER 64 H SER 64 14.512 -1.094 -5.496 491 HA SER 64 HA SER 64 15.718 -1.378 -7.926 492 1HB SER 64 1HB SER 64 15.339 -3.796 -6.162 493 2HB SER 64 2HB SER 64 16.779 -3.260 -7.004 494 HG SER 64 HG SER 64 16.854 -2.923 -4.660 495 H TYR 65 H TYR 65 13.091 -3.453 -6.481 496 HA TYR 65 HA TYR 65 11.501 -4.680 -7.417 497 1HB TYR 65 1HB TYR 65 12.016 -2.396 -9.171 498 2HB TYR 65 2HB TYR 65 11.674 -3.782 -10.188 499 HD1 TYR 65 HD1 TYR 65 9.454 -4.534 -10.514 500 HD2 TYR 65 HD2 TYR 65 10.305 -1.756 -7.372 501 HE1 TYR 65 HE1 TYR 65 6.964 -4.192 -10.131 502 HE2 TYR 65 HE2 TYR 65 7.813 -1.425 -7.000 503 HH TYR 65 HH TYR 65 5.443 -3.191 -8.980 504 H VAL 66 H VAL 66 13.599 -4.179 -10.335 505 HA VAL 66 HA VAL 66 13.591 -7.019 -10.781 506 HB VAL 66 HB VAL 66 13.329 -5.550 -12.648 507 1HG1 VAL 66 1HG1 VAL 66 14.257 -3.493 -12.099 508 2HG1 VAL 66 2HG1 VAL 66 15.416 -4.113 -13.298 509 3HG1 VAL 66 3HG1 VAL 66 15.796 -4.210 -11.562 510 1HG2 VAL 66 1HG2 VAL 66 14.495 -6.934 -13.951 511 2HG2 VAL 66 2HG2 VAL 66 15.298 -7.551 -12.488 512 3HG2 VAL 66 3HG2 VAL 66 16.038 -6.226 -13.417 513 H THR 67 H THR 67 14.648 -6.893 -8.354 514 HA THR 67 HA THR 67 17.395 -7.649 -8.817 515 HB THR 67 HB THR 67 16.608 -5.274 -7.051 516 HG1 THR 67 HG1 THR 67 18.337 -5.817 -9.359 517 1HG2 THR 67 1HG2 THR 67 19.439 -5.565 -7.314 518 2HG2 THR 67 2HG2 THR 67 18.827 -7.155 -6.800 519 3HG2 THR 67 3HG2 THR 67 18.484 -5.710 -5.820 520 H HIS 68 H HIS 68 15.282 -6.729 -6.012 521 HA HIS 68 HA HIS 68 15.980 -9.302 -4.854 522 1HB HIS 68 1HB HIS 68 15.313 -6.641 -3.835 523 2HB HIS 68 2HB HIS 68 14.423 -7.911 -3.018 524 HD1 HIS 68 HD1 HIS 68 17.776 -6.357 -3.254 525 HD2 HIS 68 HD2 HIS 68 16.119 -9.886 -1.707 526 HE1 HIS 68 HE1 HIS 68 19.528 -7.338 -1.682 527 H GLU 69 H GLU 69 13.361 -7.540 -6.409 528 HA GLU 69 HA GLU 69 11.357 -8.115 -7.009 529 1HB GLU 69 1HB GLU 69 12.374 -10.915 -6.391 530 2HB GLU 69 2HB GLU 69 10.773 -10.631 -7.047 531 1HG GLU 69 1HG GLU 69 11.581 -10.158 -9.136 532 2HG GLU 69 2HG GLU 69 12.877 -9.158 -8.514 533 HE2 GLU 69 HE GLU 69 14.491 -10.061 -9.590 534 H THR 70 H THR 70 9.168 -9.068 -6.188 535 HA THR 70 HA THR 70 9.101 -9.554 -3.334 536 HB THR 70 HB THR 70 7.754 -7.583 -2.835 537 HG1 THR 70 HG1 THR 70 8.065 -7.177 -5.728 538 1HG2 THR 70 1HG2 THR 70 9.227 -5.713 -3.409 539 2HG2 THR 70 2HG2 THR 70 9.939 -6.633 -4.756 540 3HG2 THR 70 3HG2 THR 70 10.258 -7.125 -3.075 541 H ARG 71 H ARG 71 7.783 -11.226 -3.049 542 HA ARG 71 HA ARG 71 6.413 -12.511 -4.855 543 1HB ARG 71 1HB ARG 71 5.698 -11.981 -1.946 544 2HB ARG 71 2HB ARG 71 4.702 -13.049 -2.916 545 1HG ARG 71 1HG ARG 71 7.720 -13.387 -2.586 546 2HG ARG 71 2HG ARG 71 6.535 -14.222 -1.600 547 1HD ARG 71 1HD ARG 71 6.045 -14.450 -4.527 548 2HD ARG 71 2HD ARG 71 7.553 -15.173 -4.001 549 HE ARG 71 HE ARG 71 5.187 -15.860 -2.368 550 1HH1 ARG 71 2HH2 ARG 71 7.322 -16.817 -5.029 551 2HH1 ARG 71 1HH2 ARG 71 6.871 -18.487 -4.956 552 1HH2 ARG 71 1HH ARG 71 5.262 -19.198 -3.326 553 H HIS 72 H HIS 72 4.714 -10.127 -2.674 554 HA HIS 72 HA HIS 72 3.041 -9.430 -4.969 555 1HB HIS 72 1HB HIS 72 2.230 -10.717 -2.497 556 2HB HIS 72 2HB HIS 72 1.427 -9.170 -2.682 557 HD1 HIS 72 HD1 HIS 72 -0.787 -10.685 -2.982 558 HD2 HIS 72 HD2 HIS 72 2.040 -10.915 -6.072 559 HE1 HIS 72 HE1 HIS 72 -1.990 -11.727 -4.977 560 H PHE 73 H PHE 73 2.121 -7.238 -4.850 561 HA PHE 73 HA PHE 73 2.861 -5.497 -2.759 562 1HB PHE 73 1HB PHE 73 4.377 -4.122 -4.417 563 2HB PHE 73 2HB PHE 73 5.091 -5.543 -3.681 564 HD1 PHE 73 HD1 PHE 73 5.360 -7.619 -5.004 565 HD2 PHE 73 HD2 PHE 73 3.969 -4.022 -6.774 566 HE1 PHE 73 HE1 PHE 73 5.876 -8.541 -7.281 567 HE2 PHE 73 HE2 PHE 73 4.485 -4.945 -9.052 568 HZ PHE 73 HZ PHE 73 5.433 -7.192 -9.278 569 H ILE 74 H ILE 74 2.469 -3.091 -3.524 570 HA ILE 74 HA ILE 74 0.822 -2.806 -5.833 571 HB ILE 74 HB ILE 74 -0.974 -3.670 -4.742 572 1HG1 ILE 74 1HG1 ILE 74 -1.059 -0.814 -3.731 573 2HG1 ILE 74 2HG1 ILE 74 -1.375 -1.282 -5.389 574 1HG2 ILE 74 1HG2 ILE 74 -0.073 -2.465 -2.112 575 2HG2 ILE 74 2HG2 ILE 74 0.267 -4.131 -2.639 576 3HG2 ILE 74 3HG2 ILE 74 -1.413 -3.607 -2.377 577 1HD1 ILE 74 1HD1 ILE 74 -3.278 -2.659 -4.719 578 2HD1 ILE 74 2HD1 ILE 74 -3.461 -1.045 -3.989 579 3HD1 ILE 74 3HD1 ILE 74 -2.897 -2.411 -2.999 580 H TYR 75 H TYR 75 1.411 -0.863 -6.620 581 HA TYR 75 HA TYR 75 2.252 1.156 -4.652 582 1HB TYR 75 1HB TYR 75 4.096 0.545 -6.102 583 2HB TYR 75 2HB TYR 75 3.038 0.309 -7.479 584 HD1 TYR 75 HD1 TYR 75 2.591 2.079 -9.009 585 HD2 TYR 75 HD2 TYR 75 4.600 2.905 -5.323 586 HE1 TYR 75 HE1 TYR 75 3.153 4.418 -9.831 587 HE2 TYR 75 HE2 TYR 75 5.155 5.241 -6.157 588 HH TYR 75 HH TYR 75 3.651 6.735 -8.461 589 H PHE 76 H PHE 76 0.721 2.696 -4.346 590 HA PHE 76 HA PHE 76 -0.573 3.745 -6.743 591 1HB PHE 76 1HB PHE 76 -2.701 3.821 -5.270 592 2HB PHE 76 2HB PHE 76 -2.210 2.212 -5.760 593 HD1 PHE 76 HD1 PHE 76 -0.511 1.052 -4.042 594 HD2 PHE 76 HD2 PHE 76 -3.260 4.132 -3.056 595 HE1 PHE 76 HE1 PHE 76 -0.452 0.336 -1.636 596 HE2 PHE 76 HE2 PHE 76 -3.199 3.417 -0.652 597 HZ PHE 76 HZ PHE 76 -1.797 1.527 0.031 598 H TYR 77 H TYR 77 -2.007 5.791 -5.905 599 HA TYR 77 HA TYR 77 -0.112 7.360 -4.302 600 1HB TYR 77 1HB TYR 77 -0.875 7.841 -6.797 601 2HB TYR 77 2HB TYR 77 -2.432 8.257 -6.107 602 HD1 TYR 77 HD1 TYR 77 1.177 9.062 -5.410 603 HD2 TYR 77 HD2 TYR 77 -2.823 10.518 -5.835 604 HE1 TYR 77 HE1 TYR 77 1.988 11.435 -4.988 605 HE2 TYR 77 HE2 TYR 77 -1.999 12.885 -5.412 606 HH TYR 77 HH TYR 77 1.120 13.778 -5.662 607 H LEU 78 H LEU 78 -0.693 7.921 -2.268 608 HA LEU 78 HA LEU 78 -3.546 7.733 -1.618 609 1HB LEU 78 1HB LEU 78 -1.366 6.544 -0.442 610 2HB LEU 78 2HB LEU 78 -1.617 7.946 0.580 611 HG LEU 78 HG LEU 78 -3.904 7.267 1.045 612 1HD1 LEU 78 1HD1 LEU 78 -4.378 4.763 0.202 613 2HD1 LEU 78 2HD1 LEU 78 -3.404 5.352 -1.167 614 3HD1 LEU 78 3HD1 LEU 78 -4.889 6.212 -0.697 615 1HD2 LEU 78 1HD2 LEU 78 -2.664 4.665 1.553 616 2HD2 LEU 78 2HD2 LEU 78 -3.254 5.904 2.689 617 3HD2 LEU 78 3HD2 LEU 78 -1.622 6.042 1.989 618 H GLY 79 H GLY 79 -4.467 9.703 -1.992 619 1HA GLY 79 2HA GLY 79 -4.942 11.875 -1.647 620 2HA GLY 79 1HA GLY 79 -3.826 11.869 -0.297 621 H GLN 80 H GLN 80 -1.753 12.747 -0.517 622 HA GLN 80 HA GLN 80 -1.164 13.740 -3.197 623 1HB GLN 80 1HB GLN 80 -1.300 15.104 -0.609 624 2HB GLN 80 2HB GLN 80 0.274 15.320 -1.349 625 1HG GLN 80 1HG GLN 80 -0.554 16.676 -2.988 626 2HG GLN 80 2HG GLN 80 -1.903 15.609 -3.313 627 1HE2 GLN 80 2HE2 GLN 80 -0.817 18.458 -1.804 628 2HE2 GLN 80 1HE2 GLN 80 -2.287 18.956 -1.037 629 H VAL 81 H VAL 81 -0.273 11.589 -0.720 630 HA VAL 81 HA VAL 81 2.531 11.634 -1.596 631 HB VAL 81 HB VAL 81 3.016 10.501 0.523 632 1HG1 VAL 81 1HG1 VAL 81 2.061 13.229 0.222 633 2HG1 VAL 81 2HG1 VAL 81 3.449 12.604 1.144 634 3HG1 VAL 81 3HG1 VAL 81 1.831 12.642 1.887 635 1HG2 VAL 81 1HG2 VAL 81 1.472 9.761 2.002 636 2HG2 VAL 81 2HG2 VAL 81 0.395 9.779 0.584 637 3HG2 VAL 81 3HG2 VAL 81 0.387 11.144 1.726 638 H ALA 82 H ALA 82 3.529 9.628 -2.170 639 HA ALA 82 HA ALA 82 1.625 7.751 -3.264 640 1HB ALA 82 1HB ALA 82 4.276 6.865 -3.681 641 2HB ALA 82 2HB ALA 82 4.340 8.641 -3.783 642 3HB ALA 82 3HB ALA 82 3.232 7.729 -4.835 643 H ILE 83 H ILE 83 2.227 5.315 -3.015 644 HA ILE 83 HA ILE 83 3.507 4.591 -0.576 645 HB ILE 83 HB ILE 83 1.009 5.475 -0.150 646 1HG1 ILE 83 1HG1 ILE 83 2.373 3.168 1.268 647 2HG1 ILE 83 2HG1 ILE 83 2.658 4.874 1.556 648 1HG2 ILE 83 1HG2 ILE 83 -0.613 3.776 -0.099 649 2HG2 ILE 83 2HG2 ILE 83 0.588 2.497 -0.399 650 3HG2 ILE 83 3HG2 ILE 83 0.157 3.636 -1.697 651 1HD1 ILE 83 1HD1 ILE 83 0.215 3.220 2.217 652 2HD1 ILE 83 2HD1 ILE 83 0.041 4.973 1.962 653 3HD1 ILE 83 3HD1 ILE 83 1.113 4.363 3.244 654 H LEU 84 H LEU 84 4.376 2.592 -0.859 655 HA LEU 84 HA LEU 84 3.043 0.821 -2.766 656 1HB LEU 84 1HB LEU 84 4.706 0.771 -4.227 657 2HB LEU 84 2HB LEU 84 5.194 2.297 -3.517 658 HG LEU 84 HG LEU 84 6.664 0.928 -1.929 659 1HD1 LEU 84 1HD1 LEU 84 7.328 -1.283 -3.314 660 2HD1 LEU 84 2HD1 LEU 84 5.585 -1.217 -3.669 661 3HD1 LEU 84 3HD1 LEU 84 6.149 -1.270 -1.980 662 1HD2 LEU 84 1HD2 LEU 84 8.343 0.482 -3.901 663 2HD2 LEU 84 2HD2 LEU 84 7.873 2.139 -3.457 664 3HD2 LEU 84 3HD2 LEU 84 7.117 1.345 -4.860 665 H LEU 85 H LEU 85 2.600 -1.056 -1.757 666 HA LEU 85 HA LEU 85 4.366 -1.797 0.468 667 1HB LEU 85 1HB LEU 85 2.088 -1.270 1.135 668 2HB LEU 85 2HB LEU 85 1.452 -2.427 -0.018 669 HG LEU 85 HG LEU 85 2.984 -4.116 1.360 670 1HD1 LEU 85 1HD1 LEU 85 2.206 -2.189 3.548 671 2HD1 LEU 85 2HD1 LEU 85 3.813 -2.166 2.784 672 3HD1 LEU 85 3HD1 LEU 85 3.256 -3.623 3.639 673 1HD2 LEU 85 1HD2 LEU 85 0.456 -3.404 2.765 674 2HD2 LEU 85 2HD2 LEU 85 1.049 -4.979 2.180 675 3HD2 LEU 85 3HD2 LEU 85 0.353 -3.807 1.034 676 H PHE 86 H PHE 86 5.040 -4.006 0.658 677 HA PHE 86 HA PHE 86 4.344 -5.834 -1.432 678 1HB PHE 86 1HB PHE 86 6.631 -5.956 -2.353 679 2HB PHE 86 2HB PHE 86 6.132 -4.278 -2.411 680 HD1 PHE 86 HD1 PHE 86 7.967 -6.665 -0.210 681 HD2 PHE 86 HD2 PHE 86 7.528 -2.654 -1.525 682 HE1 PHE 86 HE1 PHE 86 10.010 -6.014 1.095 683 HE2 PHE 86 HE2 PHE 86 9.571 -2.003 -0.219 684 HZ PHE 86 HZ PHE 86 10.788 -3.690 1.075 685 H LYS 87 H LYS 87 5.302 -8.003 -1.060 686 HA LYS 87 HA LYS 87 6.209 -8.272 1.721 687 1HB LYS 87 1HB LYS 87 4.103 -9.210 1.800 688 2HB LYS 87 2HB LYS 87 4.158 -9.776 0.143 689 1HG LYS 87 1HG LYS 87 4.372 -11.725 1.562 690 2HG LYS 87 2HG LYS 87 5.941 -11.451 0.830 691 1HD LYS 87 1HD LYS 87 6.765 -10.356 2.872 692 2HD LYS 87 2HD LYS 87 5.173 -10.422 3.601 693 1HE LYS 87 1HE LYS 87 5.554 -12.525 4.364 694 2HE LYS 87 2HE LYS 87 5.901 -13.094 2.744 695 1HZ LYS 87 1HZ LYS 87 7.958 -13.378 3.660 696 H SER 88 H SER 88 8.402 -8.475 1.552 697 HA SER 88 HA SER 88 9.315 -10.395 -0.446 698 1HB SER 88 1HB SER 88 10.302 -8.301 -0.990 699 2HB SER 88 2HB SER 88 10.579 -7.885 0.688 700 HG SER 88 HG SER 88 12.202 -9.577 0.787 701 H GLY 89 H GLY 89 10.666 -8.928 2.600 702 1HA GLY 89 2HA GLY 89 12.199 -10.986 3.462 703 2HA GLY 89 1HA GLY 89 11.344 -9.889 4.528 Start of MODEL 6 1 1H MET 1 H MET 1 -10.993 18.616 -14.119 2 HA MET 1 HA MET 1 -13.348 20.029 -13.133 3 1HB MET 1 1HB MET 1 -12.763 17.158 -13.906 4 2HB MET 1 2HB MET 1 -13.947 17.427 -12.645 5 1HG MET 1 1HG MET 1 -14.855 19.249 -14.448 6 2HG MET 1 2HG MET 1 -14.083 18.140 -15.562 7 1HE MET 1 1HE MET 1 -17.682 17.587 -12.908 8 2HE MET 1 2HE MET 1 -16.539 18.945 -13.047 9 3HE MET 1 3HE MET 1 -17.723 18.643 -14.340 10 H SER 2 H SER 2 -14.140 18.897 -10.921 11 HA SER 2 HA SER 2 -11.796 19.022 -9.219 12 1HB SER 2 1HB SER 2 -14.713 19.644 -8.884 13 2HB SER 2 2HB SER 2 -13.866 19.064 -7.463 14 HG SER 2 HG SER 2 -12.352 20.969 -8.768 15 H ASP 3 H ASP 3 -11.053 16.826 -9.594 16 HA ASP 3 HA ASP 3 -12.393 14.970 -7.907 17 1HB ASP 3 1HB ASP 3 -13.021 14.927 -10.666 18 2HB ASP 3 2HB ASP 3 -11.842 13.646 -10.474 19 HD2 ASP 3 HD ASP 3 -14.264 11.629 -10.056 20 H ARG 4 H ARG 4 -10.619 14.166 -6.775 21 HA ARG 4 HA ARG 4 -8.384 13.237 -8.310 22 1HB ARG 4 1HB ARG 4 -8.175 15.434 -6.204 23 2HB ARG 4 2HB ARG 4 -6.798 14.432 -6.617 24 1HG ARG 4 1HG ARG 4 -6.891 15.154 -8.960 25 2HG ARG 4 2HG ARG 4 -8.399 16.004 -8.687 26 1HD ARG 4 1HD ARG 4 -7.247 17.864 -8.086 27 2HD ARG 4 2HD ARG 4 -6.541 16.996 -6.737 28 HE ARG 4 HE ARG 4 -5.265 16.467 -9.342 29 1HH1 ARG 4 2HH2 ARG 4 -5.218 18.423 -6.388 30 2HH1 ARG 4 1HH2 ARG 4 -3.559 18.884 -6.572 31 1HH2 ARG 4 1HH ARG 4 -2.318 18.080 -8.458 32 H LYS 5 H LYS 5 -10.202 11.602 -7.117 33 HA LYS 5 HA LYS 5 -9.677 11.101 -4.382 34 1HB LYS 5 1HB LYS 5 -11.486 10.193 -6.421 35 2HB LYS 5 2HB LYS 5 -10.766 8.796 -5.646 36 1HG LYS 5 1HG LYS 5 -11.746 9.242 -3.603 37 2HG LYS 5 2HG LYS 5 -11.585 10.978 -3.781 38 1HD LYS 5 1HD LYS 5 -13.476 10.985 -5.423 39 2HD LYS 5 2HD LYS 5 -13.637 9.250 -5.246 40 1HE LYS 5 1HE LYS 5 -13.679 10.816 -2.693 41 2HE LYS 5 2HE LYS 5 -15.049 11.067 -3.755 42 1HZ LYS 5 1HZ LYS 5 -15.402 8.655 -3.785 43 H ALA 6 H ALA 6 -8.950 8.752 -3.713 44 HA ALA 6 HA ALA 6 -6.303 8.499 -4.039 45 1HB ALA 6 1HB ALA 6 -8.533 6.571 -3.465 46 2HB ALA 6 2HB ALA 6 -7.196 7.109 -2.421 47 3HB ALA 6 3HB ALA 6 -6.895 5.919 -3.710 48 H VAL 7 H VAL 7 -4.834 7.623 -5.498 49 HA VAL 7 HA VAL 7 -6.012 6.523 -7.954 50 HB VAL 7 HB VAL 7 -3.768 8.524 -7.647 51 1HG1 VAL 7 1HG1 VAL 7 -4.083 8.336 -10.320 52 2HG1 VAL 7 2HG1 VAL 7 -4.445 6.655 -9.860 53 3HG1 VAL 7 3HG1 VAL 7 -2.886 7.385 -9.406 54 1HG2 VAL 7 1HG2 VAL 7 -6.616 8.712 -8.290 55 2HG2 VAL 7 2HG2 VAL 7 -5.580 9.453 -9.533 56 3HG2 VAL 7 3HG2 VAL 7 -5.457 9.985 -7.839 57 H ILE 8 H ILE 8 -4.714 4.911 -9.037 58 HA ILE 8 HA ILE 8 -2.575 3.844 -7.331 59 HB ILE 8 HB ILE 8 -4.973 2.514 -8.495 60 1HG1 ILE 8 1HG1 ILE 8 -3.766 1.369 -6.110 61 2HG1 ILE 8 2HG1 ILE 8 -4.018 3.093 -5.923 62 1HG2 ILE 8 1HG2 ILE 8 -3.174 1.372 -9.651 63 2HG2 ILE 8 2HG2 ILE 8 -3.862 0.318 -8.394 64 3HG2 ILE 8 3HG2 ILE 8 -2.304 1.132 -8.118 65 1HD1 ILE 8 1HD1 ILE 8 -6.162 2.518 -5.390 66 2HD1 ILE 8 2HD1 ILE 8 -6.008 0.909 -6.136 67 3HD1 ILE 8 3HD1 ILE 8 -6.384 2.326 -7.146 68 H LYS 9 H LYS 9 -0.726 3.085 -8.389 69 HA LYS 9 HA LYS 9 -0.583 3.912 -11.185 70 1HB LYS 9 1HB LYS 9 1.331 3.736 -8.919 71 2HB LYS 9 2HB LYS 9 1.973 3.342 -10.500 72 1HG LYS 9 1HG LYS 9 2.176 5.576 -10.854 73 2HG LYS 9 2HG LYS 9 0.431 5.625 -11.010 74 1HD LYS 9 1HD LYS 9 0.613 7.144 -9.285 75 2HD LYS 9 2HD LYS 9 0.586 5.694 -8.303 76 1HE LYS 9 1HE LYS 9 2.536 6.562 -7.444 77 2HE LYS 9 2HE LYS 9 3.257 5.791 -8.842 78 1HZ LYS 9 1HZ LYS 9 2.264 8.348 -9.564 79 H ASN 10 H ASN 10 0.884 1.244 -9.197 80 HA ASN 10 HA ASN 10 -0.022 -0.563 -11.284 81 1HB ASN 10 1HB ASN 10 2.761 -0.596 -10.000 82 2HB ASN 10 2HB ASN 10 2.177 -1.753 -11.180 83 1HD2 ASN 10 2HD2 ASN 10 4.444 0.084 -11.266 84 2HD2 ASN 10 1HD2 ASN 10 4.255 1.071 -12.676 85 H ALA 11 H ALA 11 -1.432 -1.903 -10.132 86 HA ALA 11 HA ALA 11 -0.404 -3.326 -7.858 87 1HB ALA 11 1HB ALA 11 -1.928 -2.541 -6.231 88 2HB ALA 11 2HB ALA 11 -2.939 -1.717 -7.444 89 3HB ALA 11 3HB ALA 11 -1.339 -1.059 -7.023 90 H ASP 12 H ASP 12 -0.810 -4.531 -10.152 91 HA ASP 12 HA ASP 12 -3.280 -5.113 -11.036 92 1HB ASP 12 1HB ASP 12 -0.708 -6.674 -10.840 93 2HB ASP 12 2HB ASP 12 -2.141 -7.545 -11.348 94 HD2 ASP 12 HD ASP 12 -0.767 -4.369 -13.170 95 H MET 13 H MET 13 -1.560 -7.762 -9.304 96 HA MET 13 HA MET 13 -2.425 -9.391 -8.088 97 1HB MET 13 1HB MET 13 -2.032 -6.994 -6.640 98 2HB MET 13 2HB MET 13 -3.595 -7.548 -6.076 99 1HG MET 13 1HG MET 13 -2.438 -8.912 -4.662 100 2HG MET 13 2HG MET 13 -2.109 -9.907 -6.067 101 1HE MET 13 1HE MET 13 -0.378 -9.443 -7.707 102 2HE MET 13 2HE MET 13 0.142 -7.740 -7.723 103 3HE MET 13 3HE MET 13 1.295 -9.017 -7.267 104 H SER 14 H SER 14 -4.627 -9.208 -6.092 105 HA SER 14 HA SER 14 -6.817 -9.304 -8.011 106 1HB SER 14 1HB SER 14 -6.539 -11.473 -7.075 107 2HB SER 14 2HB SER 14 -6.231 -10.845 -5.468 108 HG SER 14 HG SER 14 -8.771 -10.433 -6.771 109 H GLU 15 H GLU 15 -8.616 -7.989 -7.690 110 HA GLU 15 HA GLU 15 -8.462 -5.756 -6.226 111 1HB GLU 15 1HB GLU 15 -10.336 -6.893 -7.894 112 2HB GLU 15 2HB GLU 15 -11.209 -6.897 -6.376 113 1HG GLU 15 1HG GLU 15 -10.331 -4.393 -6.185 114 2HG GLU 15 2HG GLU 15 -10.107 -4.535 -7.917 115 HE2 GLU 15 HE GLU 15 -12.578 -4.747 -5.450 116 H GLU 16 H GLU 16 -9.097 -9.005 -5.065 117 HA GLU 16 HA GLU 16 -10.544 -8.462 -2.804 118 1HB GLU 16 1HB GLU 16 -9.176 -10.682 -3.947 119 2HB GLU 16 2HB GLU 16 -8.575 -10.548 -2.307 120 1HG GLU 16 1HG GLU 16 -11.550 -10.484 -2.975 121 2HG GLU 16 2HG GLU 16 -10.695 -11.973 -2.627 122 HE2 GLU 16 HE GLU 16 -11.945 -9.769 0.332 123 H MET 17 H MET 17 -6.943 -9.001 -2.969 124 HA MET 17 HA MET 17 -6.649 -7.819 -0.402 125 1HB MET 17 1HB MET 17 -4.259 -8.349 -0.745 126 2HB MET 17 2HB MET 17 -5.219 -9.707 -1.299 127 1HG MET 17 1HG MET 17 -3.781 -9.461 -3.122 128 2HG MET 17 2HG MET 17 -5.112 -8.451 -3.651 129 1HE MET 17 1HE MET 17 -1.032 -7.393 -2.103 130 2HE MET 17 2HE MET 17 -2.214 -7.121 -0.800 131 3HE MET 17 3HE MET 17 -2.099 -8.718 -1.578 132 H GLN 18 H GLN 18 -6.180 -6.848 -3.817 133 HA GLN 18 HA GLN 18 -4.667 -4.590 -3.336 134 1HB GLN 18 1HB GLN 18 -5.006 -5.613 -5.574 135 2HB GLN 18 2HB GLN 18 -6.687 -5.124 -5.559 136 1HG GLN 18 1HG GLN 18 -5.348 -2.732 -4.993 137 2HG GLN 18 2HG GLN 18 -4.270 -3.517 -6.128 138 1HE2 GLN 18 2HE2 GLN 18 -7.009 -1.649 -5.743 139 2HE2 GLN 18 1HE2 GLN 18 -7.682 -1.743 -7.336 140 H GLN 19 H GLN 19 -8.253 -5.050 -3.558 141 HA GLN 19 HA GLN 19 -8.782 -2.323 -3.136 142 1HB GLN 19 1HB GLN 19 -10.293 -4.113 -4.224 143 2HB GLN 19 2HB GLN 19 -10.690 -4.630 -2.596 144 1HG GLN 19 1HG GLN 19 -11.162 -1.863 -3.796 145 2HG GLN 19 2HG GLN 19 -12.387 -3.037 -3.357 146 1HE2 GLN 19 2HE2 GLN 19 -12.102 -3.875 -1.008 147 2HE2 GLN 19 1HE2 GLN 19 -11.919 -2.660 0.212 148 H ASP 20 H ASP 20 -9.038 -5.264 -1.014 149 HA ASP 20 HA ASP 20 -9.925 -4.076 1.229 150 1HB ASP 20 1HB ASP 20 -9.406 -6.544 0.817 151 2HB ASP 20 2HB ASP 20 -7.722 -6.188 1.139 152 HD2 ASP 20 HD ASP 20 -10.849 -5.907 2.779 153 H ALA 21 H ALA 21 -6.526 -4.384 0.002 154 HA ALA 21 HA ALA 21 -5.315 -3.162 2.232 155 1HB ALA 21 1HB ALA 21 -3.409 -2.891 0.518 156 2HB ALA 21 2HB ALA 21 -4.490 -3.711 -0.633 157 3HB ALA 21 3HB ALA 21 -3.971 -4.546 0.850 158 H VAL 22 H VAL 22 -5.481 -1.843 -1.147 159 HA VAL 22 HA VAL 22 -4.881 0.702 -0.684 160 HB VAL 22 HB VAL 22 -5.772 -0.644 -2.783 161 1HG1 VAL 22 1HG1 VAL 22 -7.945 0.290 -3.557 162 2HG1 VAL 22 2HG1 VAL 22 -8.170 1.023 -1.949 163 3HG1 VAL 22 3HG1 VAL 22 -8.101 -0.749 -2.120 164 1HG2 VAL 22 1HG2 VAL 22 -4.645 1.723 -2.486 165 2HG2 VAL 22 2HG2 VAL 22 -6.278 2.313 -2.877 166 3HG2 VAL 22 3HG2 VAL 22 -5.412 1.265 -4.026 167 H ASP 23 H ASP 23 -7.899 -0.936 0.268 168 HA ASP 23 HA ASP 23 -9.358 1.350 0.817 169 1HB ASP 23 1HB ASP 23 -10.204 -1.047 0.692 170 2HB ASP 23 2HB ASP 23 -9.477 -1.339 2.258 171 HD2 ASP 23 HD ASP 23 -11.662 0.797 0.723 172 H CYS 24 H CYS 24 -7.653 -0.952 3.087 173 HA CYS 24 HA CYS 24 -7.915 0.604 5.345 174 1HB CYS 24 1HB CYS 24 -5.744 -1.403 4.651 175 2HB CYS 24 2HB CYS 24 -6.033 -0.754 6.254 176 HG CYS 24 HG CYS 24 -7.046 -3.139 6.174 177 H ALA 25 H ALA 25 -5.697 0.754 2.572 178 HA ALA 25 HA ALA 25 -3.715 2.346 3.784 179 1HB ALA 25 1HB ALA 25 -4.392 1.259 1.159 180 2HB ALA 25 2HB ALA 25 -2.798 1.651 1.847 181 3HB ALA 25 3HB ALA 25 -3.753 2.916 1.036 182 H THR 26 H THR 26 -6.018 3.380 1.176 183 HA THR 26 HA THR 26 -5.771 6.072 1.581 184 HB THR 26 HB THR 26 -6.993 4.687 -0.258 185 HG1 THR 26 HG1 THR 26 -8.464 6.609 -0.468 186 1HG2 THR 26 1HG2 THR 26 -9.455 4.565 0.046 187 2HG2 THR 26 2HG2 THR 26 -9.290 5.152 1.718 188 3HG2 THR 26 3HG2 THR 26 -8.647 3.554 1.268 189 H GLN 27 H GLN 27 -8.032 3.808 3.250 190 HA GLN 27 HA GLN 27 -9.373 5.764 4.649 191 1HB GLN 27 1HB GLN 27 -8.821 2.830 5.214 192 2HB GLN 27 2HB GLN 27 -9.787 3.799 6.309 193 1HG GLN 27 1HG GLN 27 -10.519 4.013 3.415 194 2HG GLN 27 2HG GLN 27 -10.816 2.453 4.154 195 1HE2 GLN 27 2HE2 GLN 27 -11.873 5.634 3.751 196 2HE2 GLN 27 1HE2 GLN 27 -13.194 5.655 4.872 197 H ALA 28 H ALA 28 -6.366 3.925 5.431 198 HA ALA 28 HA ALA 28 -6.030 4.786 8.030 199 1HB ALA 28 1HB ALA 28 -3.473 4.571 7.126 200 2HB ALA 28 2HB ALA 28 -4.339 3.717 5.827 201 3HB ALA 28 3HB ALA 28 -4.502 3.172 7.513 202 H LEU 29 H LEU 29 -4.846 6.279 4.939 203 HA LEU 29 HA LEU 29 -3.683 8.489 6.233 204 1HB LEU 29 1HB LEU 29 -3.334 7.465 3.866 205 2HB LEU 29 2HB LEU 29 -4.657 8.516 3.397 206 HG LEU 29 HG LEU 29 -2.086 9.459 4.697 207 1HD1 LEU 29 1HD1 LEU 29 -2.863 9.060 1.842 208 2HD1 LEU 29 2HD1 LEU 29 -1.290 8.848 2.647 209 3HD1 LEU 29 3HD1 LEU 29 -1.882 10.483 2.263 210 1HD2 LEU 29 1HD2 LEU 29 -3.611 11.104 5.232 211 2HD2 LEU 29 2HD2 LEU 29 -4.562 10.863 3.746 212 3HD2 LEU 29 3HD2 LEU 29 -2.984 11.685 3.670 213 H GLU 30 H GLU 30 -6.973 7.647 5.292 214 HA GLU 30 HA GLU 30 -7.834 10.374 5.472 215 1HB GLU 30 1HB GLU 30 -8.788 8.087 4.177 216 2HB GLU 30 2HB GLU 30 -9.931 8.298 5.488 217 1HG GLU 30 1HG GLU 30 -10.742 9.569 3.578 218 2HG GLU 30 2HG GLU 30 -10.224 10.711 4.804 219 HE2 GLU 30 HE GLU 30 -8.905 11.234 1.336 220 H LYS 31 H LYS 31 -6.779 8.276 7.742 221 HA LYS 31 HA LYS 31 -8.759 9.218 9.694 222 1HB LYS 31 1HB LYS 31 -9.284 6.949 9.544 223 2HB LYS 31 2HB LYS 31 -7.618 6.463 9.302 224 1HG LYS 31 1HG LYS 31 -7.073 7.109 11.649 225 2HG LYS 31 2HG LYS 31 -8.726 7.638 11.897 226 1HD LYS 31 1HD LYS 31 -9.078 5.050 10.916 227 2HD LYS 31 2HD LYS 31 -7.612 4.889 11.862 228 1HE LYS 31 1HE LYS 31 -8.686 5.313 13.871 229 2HE LYS 31 2HE LYS 31 -9.809 6.454 13.160 230 1HZ LYS 31 1HZ LYS 31 -10.673 4.136 13.874 231 H TYR 32 H TYR 32 -5.379 8.210 8.969 232 HA TYR 32 HA TYR 32 -4.542 9.679 11.372 233 1HB TYR 32 1HB TYR 32 -3.565 7.362 9.655 234 2HB TYR 32 2HB TYR 32 -2.343 8.318 10.468 235 HD1 TYR 32 HD1 TYR 32 -2.262 8.398 12.959 236 HD2 TYR 32 HD2 TYR 32 -4.974 5.829 10.873 237 HE1 TYR 32 HE1 TYR 32 -2.621 7.042 15.079 238 HE2 TYR 32 HE2 TYR 32 -5.325 4.483 13.001 239 HH TYR 32 HH TYR 32 -3.374 4.419 15.432 240 H ASN 33 H ASN 33 -2.478 10.937 11.175 241 HA ASN 33 HA ASN 33 -2.366 12.123 8.514 242 1HB ASN 33 1HB ASN 33 -3.124 13.556 10.551 243 2HB ASN 33 2HB ASN 33 -1.474 13.435 11.126 244 1HD2 ASN 33 2HD2 ASN 33 -3.635 14.800 8.808 245 2HD2 ASN 33 1HD2 ASN 33 -2.542 15.905 8.043 246 H ILE 34 H ILE 34 -0.685 10.549 11.189 247 HA ILE 34 HA ILE 34 1.940 11.291 10.242 248 HB ILE 34 HB ILE 34 1.103 9.377 12.423 249 1HG1 ILE 34 1HG1 ILE 34 2.103 11.658 13.625 250 2HG1 ILE 34 2HG1 ILE 34 1.153 12.309 12.304 251 1HG2 ILE 34 1HG2 ILE 34 3.276 8.788 12.157 252 2HG2 ILE 34 2HG2 ILE 34 3.528 10.231 13.169 253 3HG2 ILE 34 3HG2 ILE 34 3.725 10.337 11.403 254 1HD1 ILE 34 1HD1 ILE 34 -0.850 11.244 13.053 255 2HD1 ILE 34 2HD1 ILE 34 -0.082 11.868 14.532 256 3HD1 ILE 34 3HD1 ILE 34 0.045 10.140 14.125 257 H GLU 35 H GLU 35 1.906 10.472 8.077 258 HA GLU 35 HA GLU 35 1.088 8.187 7.117 259 1HB GLU 35 1HB GLU 35 2.310 9.734 5.727 260 2HB GLU 35 2HB GLU 35 3.783 9.520 6.654 261 1HG GLU 35 1HG GLU 35 2.531 7.093 5.355 262 2HG GLU 35 2HG GLU 35 3.408 8.225 4.342 263 HE2 GLU 35 HE GLU 35 5.547 8.707 5.071 264 H LYS 36 H LYS 36 4.076 8.556 9.114 265 HA LYS 36 HA LYS 36 5.142 6.077 8.911 266 1HB LYS 36 1HB LYS 36 5.243 8.288 10.772 267 2HB LYS 36 2HB LYS 36 5.316 6.771 11.645 268 1HG LYS 36 1HG LYS 36 7.024 6.176 9.602 269 2HG LYS 36 2HG LYS 36 7.248 7.914 9.656 270 1HD LYS 36 1HD LYS 36 7.275 7.103 12.372 271 2HD LYS 36 2HD LYS 36 8.192 5.869 11.532 272 1HE LYS 36 1HE LYS 36 9.050 8.339 10.404 273 2HE LYS 36 2HE LYS 36 8.946 8.629 12.129 274 1HZ LYS 36 1HZ LYS 36 10.878 7.098 10.743 275 H ASP 37 H ASP 37 2.468 7.092 11.144 276 HA ASP 37 HA ASP 37 2.148 4.494 12.142 277 1HB ASP 37 1HB ASP 37 1.080 7.109 12.609 278 2HB ASP 37 2HB ASP 37 -0.296 6.075 12.279 279 HD2 ASP 37 HD ASP 37 1.599 6.182 15.640 280 H ILE 38 H ILE 38 0.967 6.327 9.342 281 HA ILE 38 HA ILE 38 -1.336 4.807 8.810 282 HB ILE 38 HB ILE 38 0.397 6.367 6.893 283 1HG1 ILE 38 1HG1 ILE 38 -1.763 7.273 8.804 284 2HG1 ILE 38 2HG1 ILE 38 -0.104 7.831 8.708 285 1HG2 ILE 38 1HG2 ILE 38 -2.535 6.237 6.546 286 2HG2 ILE 38 2HG2 ILE 38 -1.656 4.715 6.261 287 3HG2 ILE 38 3HG2 ILE 38 -1.223 6.177 5.344 288 1HD1 ILE 38 1HD1 ILE 38 -2.262 9.055 7.479 289 2HD1 ILE 38 2HD1 ILE 38 -1.577 8.093 6.148 290 3HD1 ILE 38 3HD1 ILE 38 -0.562 9.279 7.002 291 H ALA 39 H ALA 39 1.831 4.791 7.021 292 HA ALA 39 HA ALA 39 1.322 2.410 5.695 293 1HB ALA 39 1HB ALA 39 4.109 3.242 6.484 294 2HB ALA 39 2HB ALA 39 3.148 4.294 5.418 295 3HB ALA 39 3HB ALA 39 3.511 2.622 4.928 296 H ALA 40 H ALA 40 2.548 3.097 8.971 297 HA ALA 40 HA ALA 40 3.580 0.525 9.464 298 1HB ALA 40 1HB ALA 40 4.284 2.373 10.819 299 2HB ALA 40 2HB ALA 40 3.336 1.301 11.879 300 3HB ALA 40 3HB ALA 40 2.605 2.791 11.236 301 H TYR 41 H TYR 41 0.332 1.993 9.618 302 HA TYR 41 HA TYR 41 -0.811 -0.160 11.098 303 1HB TYR 41 1HB TYR 41 -1.783 2.109 11.094 304 2HB TYR 41 2HB TYR 41 -1.757 2.179 9.344 305 HD1 TYR 41 HD1 TYR 41 -3.493 1.100 8.011 306 HD2 TYR 41 HD2 TYR 41 -3.532 0.851 12.282 307 HE1 TYR 41 HE1 TYR 41 -5.900 0.278 7.949 308 HE2 TYR 41 HE2 TYR 41 -5.936 0.029 12.206 309 HH TYR 41 HH TYR 41 -7.493 -0.704 9.140 310 H ILE 42 H ILE 42 -0.401 0.681 7.633 311 HA ILE 42 HA ILE 42 -2.183 -1.298 6.692 312 HB ILE 42 HB ILE 42 0.120 0.064 5.292 313 1HG1 ILE 42 1HG1 ILE 42 -2.785 0.913 5.313 314 2HG1 ILE 42 2HG1 ILE 42 -1.588 1.586 6.400 315 1HG2 ILE 42 1HG2 ILE 42 -0.614 -1.876 4.064 316 2HG2 ILE 42 2HG2 ILE 42 -1.200 -0.409 3.245 317 3HG2 ILE 42 3HG2 ILE 42 -2.317 -1.386 4.226 318 1HD1 ILE 42 1HD1 ILE 42 -1.780 3.029 4.434 319 2HD1 ILE 42 2HD1 ILE 42 -1.490 1.647 3.350 320 3HD1 ILE 42 3HD1 ILE 42 -0.186 2.236 4.408 321 H LYS 43 H LYS 43 1.444 -1.149 6.886 322 HA LYS 43 HA LYS 43 1.868 -3.737 5.993 323 1HB LYS 43 1HB LYS 43 3.722 -2.323 5.994 324 2HB LYS 43 2HB LYS 43 3.449 -1.779 7.637 325 1HG LYS 43 1HG LYS 43 3.967 -4.717 7.224 326 2HG LYS 43 2HG LYS 43 5.324 -3.626 7.024 327 1HD LYS 43 1HD LYS 43 4.530 -2.603 9.327 328 2HD LYS 43 2HD LYS 43 3.641 -4.102 9.504 329 1HE LYS 43 1HE LYS 43 5.529 -5.210 10.103 330 2HE LYS 43 2HE LYS 43 6.326 -4.736 8.616 331 1HZ LYS 43 1HZ LYS 43 6.498 -2.455 9.960 332 H LYS 44 H LYS 44 1.511 -2.463 9.369 333 HA LYS 44 HA LYS 44 1.771 -4.982 10.573 334 1HB LYS 44 1HB LYS 44 2.160 -2.954 11.816 335 2HB LYS 44 2HB LYS 44 0.530 -2.383 11.517 336 1HG LYS 44 1HG LYS 44 -0.447 -4.005 12.957 337 2HG LYS 44 2HG LYS 44 0.954 -5.055 12.888 338 1HD LYS 44 1HD LYS 44 1.413 -4.120 14.939 339 2HD LYS 44 2HD LYS 44 2.138 -2.856 13.967 340 1HE LYS 44 1HE LYS 44 0.691 -1.734 15.527 341 2HE LYS 44 2HE LYS 44 -0.132 -1.668 13.981 342 1HZ LYS 44 1HZ LYS 44 -1.221 -3.865 14.828 343 H GLU 45 H GLU 45 -0.971 -3.207 9.133 344 HA GLU 45 HA GLU 45 -3.027 -4.616 10.232 345 1HB GLU 45 1HB GLU 45 -2.581 -2.982 7.810 346 2HB GLU 45 2HB GLU 45 -3.854 -4.168 7.604 347 1HG GLU 45 1HG GLU 45 -3.794 -2.490 10.125 348 2HG GLU 45 2HG GLU 45 -4.399 -1.782 8.642 349 HE2 GLU 45 HE GLU 45 -5.854 -2.381 10.920 350 H PHE 46 H PHE 46 -1.348 -5.303 7.072 351 HA PHE 46 HA PHE 46 -2.666 -7.800 6.795 352 1HB PHE 46 1HB PHE 46 -0.460 -6.172 5.498 353 2HB PHE 46 2HB PHE 46 -0.502 -7.880 5.107 354 HD1 PHE 46 HD1 PHE 46 -3.388 -5.612 5.688 355 HD2 PHE 46 HD2 PHE 46 -1.175 -7.884 2.871 356 HE1 PHE 46 HE1 PHE 46 -5.146 -5.171 3.952 357 HE2 PHE 46 HE2 PHE 46 -2.933 -7.444 1.134 358 HZ PHE 46 HZ PHE 46 -4.897 -6.093 1.695 359 H ASP 47 H ASP 47 0.621 -6.731 7.852 360 HA ASP 47 HA ASP 47 1.889 -9.087 7.943 361 1HB ASP 47 1HB ASP 47 2.866 -6.887 8.592 362 2HB ASP 47 2HB ASP 47 1.922 -6.890 10.068 363 HD2 ASP 47 HD ASP 47 4.823 -6.972 9.474 364 H LYS 48 H LYS 48 -0.715 -7.846 10.045 365 HA LYS 48 HA LYS 48 -0.447 -9.416 12.270 366 1HB LYS 48 1HB LYS 48 -2.900 -8.369 10.842 367 2HB LYS 48 2HB LYS 48 -2.986 -9.202 12.381 368 1HG LYS 48 1HG LYS 48 -0.888 -7.184 12.488 369 2HG LYS 48 2HG LYS 48 -2.375 -6.449 11.922 370 1HD LYS 48 1HD LYS 48 -2.931 -8.278 14.138 371 2HD LYS 48 2HD LYS 48 -1.701 -7.118 14.602 372 1HE LYS 48 1HE LYS 48 -3.146 -5.235 13.990 373 2HE LYS 48 2HE LYS 48 -4.331 -6.311 13.277 374 1HZ LYS 48 1HZ LYS 48 -4.443 -7.335 15.619 375 H LYS 49 H LYS 49 -2.821 -10.215 9.646 376 HA LYS 49 HA LYS 49 -1.851 -12.958 9.721 377 1HB LYS 49 1HB LYS 49 -4.583 -12.050 10.579 378 2HB LYS 49 2HB LYS 49 -4.402 -13.597 9.777 379 1HG LYS 49 1HG LYS 49 -2.522 -14.103 11.487 380 2HG LYS 49 2HG LYS 49 -3.066 -12.685 12.361 381 1HD LYS 49 1HD LYS 49 -4.588 -14.023 13.383 382 2HD LYS 49 2HD LYS 49 -5.452 -14.074 11.859 383 1HE LYS 49 1HE LYS 49 -4.824 -16.235 11.435 384 2HE LYS 49 2HE LYS 49 -3.165 -15.947 11.919 385 1HZ LYS 49 1HZ LYS 49 -4.901 -15.861 14.178 386 H TYR 50 H TYR 50 -0.967 -11.957 7.660 387 HA TYR 50 HA TYR 50 -2.788 -12.623 5.529 388 1HB TYR 50 1HB TYR 50 -2.803 -10.024 6.413 389 2HB TYR 50 2HB TYR 50 -1.363 -9.936 5.417 390 HD1 TYR 50 HD1 TYR 50 -4.313 -8.672 5.203 391 HD2 TYR 50 HD2 TYR 50 -2.204 -11.797 3.183 392 HE1 TYR 50 HE1 TYR 50 -5.755 -8.321 3.140 393 HE2 TYR 50 HE2 TYR 50 -3.654 -11.436 1.126 394 HH TYR 50 HH TYR 50 -6.496 -9.641 1.218 395 H ASN 51 H ASN 51 -0.477 -13.951 6.424 396 HA ASN 51 HA ASN 51 1.344 -14.836 5.646 397 1HB ASN 51 1HB ASN 51 0.044 -13.858 3.273 398 2HB ASN 51 2HB ASN 51 1.746 -13.480 3.094 399 1HD2 ASN 51 2HD2 ASN 51 0.440 -15.284 1.470 400 2HD2 ASN 51 1HD2 ASN 51 1.046 -16.885 1.733 401 HA PRO 52 HA PRO 52 3.518 -10.885 6.531 402 1HB PRO 52 1HB PRO 52 4.393 -11.467 9.054 403 2HB PRO 52 2HB PRO 52 2.917 -10.579 8.733 404 1HG PRO 52 1HG PRO 52 3.238 -13.385 9.605 405 2HG PRO 52 2HG PRO 52 1.816 -12.364 9.688 406 1HD PRO 52 1HD PRO 52 2.319 -14.459 7.794 407 2HD PRO 52 2HD PRO 52 0.950 -13.364 7.807 408 H THR 53 H THR 53 6.939 -11.539 6.487 409 HA THR 53 HA THR 53 4.704 -9.908 7.475 410 HB THR 53 HB THR 53 6.568 -9.894 9.001 411 HG1 THR 53 HG1 THR 53 6.585 -7.679 8.889 412 1HG2 THR 53 1HG2 THR 53 8.242 -9.585 6.467 413 2HG2 THR 53 2HG2 THR 53 8.426 -10.794 7.762 414 3HG2 THR 53 3HG2 THR 53 8.865 -9.094 8.062 415 H TRP 54 H TRP 54 4.640 -7.607 6.721 416 HA TRP 54 HA TRP 54 5.273 -7.562 3.849 417 1HB TRP 54 1HB TRP 54 3.046 -6.137 5.317 418 2HB TRP 54 2HB TRP 54 3.377 -6.045 3.599 419 HD1 TRP 54 HD TRP 54 2.646 -8.976 6.105 420 HE1 TRP 54 HE1 TRP 54 1.033 -10.746 4.997 421 HE3 TRP 54 HE3 TRP 54 2.291 -6.619 1.612 422 HZ2 TRP 54 HZ2 TRP 54 -0.181 -10.958 2.424 423 HZ3 TRP 54 HZ3 TRP 54 0.871 -7.676 -0.143 424 HH2 TRP 54 HH TRP 54 -0.341 -9.770 0.205 425 H HIS 55 H HIS 55 5.814 -5.336 3.009 426 HA HIS 55 HA HIS 55 6.799 -3.548 5.079 427 1HB HIS 55 1HB HIS 55 8.538 -4.478 2.779 428 2HB HIS 55 2HB HIS 55 8.979 -3.337 4.033 429 HD1 HIS 55 HD1 HIS 55 9.730 -4.277 6.314 430 HD2 HIS 55 HD2 HIS 55 8.424 -7.221 3.625 431 HE1 HIS 55 HE1 HIS 55 10.392 -6.520 7.333 432 H CYS 56 H CYS 56 6.140 -1.501 4.647 433 HA CYS 56 HA CYS 56 5.519 -0.914 1.844 434 1HB CYS 56 1HB CYS 56 3.792 0.680 2.737 435 2HB CYS 56 2HB CYS 56 3.434 -1.016 2.999 436 HG CYS 56 HG CYS 56 2.874 -0.553 5.271 437 H ILE 57 H ILE 57 6.213 1.162 1.075 438 HA ILE 57 HA ILE 57 7.869 2.663 2.978 439 HB ILE 57 HB ILE 57 8.493 1.755 0.186 440 1HG1 ILE 57 1HG1 ILE 57 10.664 1.156 1.286 441 2HG1 ILE 57 2HG1 ILE 57 9.976 1.632 2.826 442 1HG2 ILE 57 1HG2 ILE 57 9.884 4.007 1.659 443 2HG2 ILE 57 2HG2 ILE 57 8.814 4.197 0.250 444 3HG2 ILE 57 3HG2 ILE 57 10.350 3.311 0.090 445 1HD1 ILE 57 1HD1 ILE 57 8.229 -0.201 1.287 446 2HD1 ILE 57 2HD1 ILE 57 8.726 -0.270 2.994 447 3HD1 ILE 57 3HD1 ILE 57 9.803 -0.904 1.728 448 H VAL 58 H VAL 58 7.990 4.978 2.581 449 HA VAL 58 HA VAL 58 5.940 5.957 0.737 450 HB VAL 58 HB VAL 58 6.262 6.782 3.629 451 1HG1 VAL 58 1HG1 VAL 58 5.215 8.677 3.102 452 2HG1 VAL 58 2HG1 VAL 58 3.850 7.748 2.439 453 3HG1 VAL 58 3HG1 VAL 58 5.211 8.204 1.386 454 1HG2 VAL 58 1HG2 VAL 58 4.804 5.178 4.143 455 2HG2 VAL 58 2HG2 VAL 58 4.763 4.654 2.442 456 3HG2 VAL 58 3HG2 VAL 58 3.622 5.892 3.020 457 H GLY 59 H GLY 59 7.395 6.787 -0.751 458 1HA GLY 59 2HA GLY 59 9.114 8.957 0.271 459 2HA GLY 59 1HA GLY 59 9.762 7.732 -0.802 460 H ARG 60 H ARG 60 9.001 7.584 -3.023 461 HA ARG 60 HA ARG 60 7.136 9.559 -3.881 462 1HB ARG 60 1HB ARG 60 9.344 10.799 -3.810 463 2HB ARG 60 2HB ARG 60 10.008 9.633 -4.937 464 1HG ARG 60 1HG ARG 60 8.048 10.257 -6.514 465 2HG ARG 60 2HG ARG 60 7.737 11.603 -5.436 466 1HD ARG 60 1HD ARG 60 10.561 11.209 -6.435 467 2HD ARG 60 2HD ARG 60 9.374 11.860 -7.549 468 HE ARG 60 HE ARG 60 9.198 13.252 -5.031 469 1HH1 ARG 60 2HH2 ARG 60 11.268 12.993 -7.896 470 2HH1 ARG 60 1HH2 ARG 60 11.895 14.600 -7.740 471 1HH2 ARG 60 1HH ARG 60 11.152 15.979 -5.926 472 H ASN 61 H ASN 61 9.638 7.086 -4.695 473 HA ASN 61 HA ASN 61 7.743 6.004 -6.605 474 1HB ASN 61 1HB ASN 61 9.831 7.415 -7.575 475 2HB ASN 61 2HB ASN 61 10.696 5.922 -7.273 476 1HD2 ASN 61 2HD2 ASN 61 9.338 7.574 -9.618 477 2HD2 ASN 61 1HD2 ASN 61 8.694 6.337 -10.646 478 H PHE 62 H PHE 62 9.295 3.798 -7.473 479 HA PHE 62 HA PHE 62 10.144 2.537 -4.963 480 1HB PHE 62 1HB PHE 62 8.951 0.504 -5.764 481 2HB PHE 62 2HB PHE 62 7.825 1.847 -5.738 482 HD1 PHE 62 HD1 PHE 62 9.638 -0.503 -7.841 483 HD2 PHE 62 HD2 PHE 62 7.071 2.876 -7.839 484 HE1 PHE 62 HE1 PHE 62 9.100 -0.910 -10.259 485 HE2 PHE 62 HE2 PHE 62 6.534 2.469 -10.257 486 HZ PHE 62 HZ PHE 62 7.553 0.580 -11.438 487 H GLY 63 H GLY 63 10.724 -0.009 -6.249 488 1HA GLY 63 2HA GLY 63 12.466 0.417 -8.476 489 2HA GLY 63 1HA GLY 63 13.353 0.307 -6.968 490 H SER 64 H SER 64 12.147 -1.573 -5.439 491 HA SER 64 HA SER 64 12.907 -3.928 -6.677 492 1HB SER 64 1HB SER 64 12.088 -5.032 -4.660 493 2HB SER 64 2HB SER 64 12.883 -3.536 -4.211 494 HG SER 64 HG SER 64 10.744 -2.524 -4.105 495 H TYR 65 H TYR 65 11.662 -3.845 -8.731 496 HA TYR 65 HA TYR 65 8.999 -5.002 -8.350 497 1HB TYR 65 1HB TYR 65 8.831 -2.538 -8.872 498 2HB TYR 65 2HB TYR 65 9.931 -2.737 -10.221 499 HD1 TYR 65 HD1 TYR 65 6.870 -4.630 -9.136 500 HD2 TYR 65 HD2 TYR 65 8.809 -2.380 -12.217 501 HE1 TYR 65 HE1 TYR 65 4.900 -5.046 -10.689 502 HE2 TYR 65 HE2 TYR 65 6.833 -2.805 -13.760 503 HH TYR 65 HH TYR 65 4.216 -3.324 -13.231 504 H VAL 66 H VAL 66 11.618 -4.166 -10.724 505 HA VAL 66 HA VAL 66 11.161 -6.817 -11.905 506 HB VAL 66 HB VAL 66 10.309 -5.001 -13.325 507 1HG1 VAL 66 1HG1 VAL 66 12.915 -3.814 -12.675 508 2HG1 VAL 66 2HG1 VAL 66 11.411 -3.046 -13.236 509 3HG1 VAL 66 3HG1 VAL 66 12.532 -3.772 -14.413 510 1HG2 VAL 66 1HG2 VAL 66 11.915 -5.544 -15.339 511 2HG2 VAL 66 2HG2 VAL 66 10.906 -6.821 -14.618 512 3HG2 VAL 66 3HG2 VAL 66 12.630 -6.700 -14.190 513 H THR 67 H THR 67 12.820 -6.775 -9.794 514 HA THR 67 HA THR 67 15.401 -7.166 -11.058 515 HB THR 67 HB THR 67 16.398 -5.778 -9.054 516 HG1 THR 67 HG1 THR 67 13.702 -4.684 -9.430 517 1HG2 THR 67 1HG2 THR 67 14.812 -4.063 -11.001 518 2HG2 THR 67 2HG2 THR 67 16.184 -5.034 -11.583 519 3HG2 THR 67 3HG2 THR 67 16.444 -3.780 -10.348 520 H HIS 68 H HIS 68 13.687 -7.057 -7.860 521 HA HIS 68 HA HIS 68 14.947 -9.647 -7.330 522 1HB HIS 68 1HB HIS 68 14.148 -7.366 -5.535 523 2HB HIS 68 2HB HIS 68 14.287 -8.991 -4.895 524 HD1 HIS 68 HD1 HIS 68 16.728 -10.142 -5.121 525 HD2 HIS 68 HD2 HIS 68 16.543 -6.017 -5.863 526 HE1 HIS 68 HE1 HIS 68 19.127 -9.283 -4.986 527 H GLU 69 H GLU 69 11.936 -7.797 -7.614 528 HA GLU 69 HA GLU 69 9.843 -8.370 -7.601 529 1HB GLU 69 1HB GLU 69 11.220 -10.760 -8.667 530 2HB GLU 69 2HB GLU 69 9.633 -11.115 -8.018 531 1HG GLU 69 1HG GLU 69 9.582 -8.645 -9.600 532 2HG GLU 69 2HG GLU 69 10.221 -9.977 -10.544 533 HE2 GLU 69 HE GLU 69 6.453 -9.770 -10.368 534 H THR 70 H THR 70 8.066 -9.603 -6.411 535 HA THR 70 HA THR 70 9.038 -10.912 -3.981 536 HB THR 70 HB THR 70 7.797 -9.397 -2.561 537 HG1 THR 70 HG1 THR 70 6.931 -8.182 -5.083 538 1HG2 THR 70 1HG2 THR 70 8.562 -7.093 -3.244 539 2HG2 THR 70 2HG2 THR 70 9.062 -7.754 -4.820 540 3HG2 THR 70 3HG2 THR 70 9.881 -8.287 -3.331 541 H ARG 71 H ARG 71 6.167 -10.620 -2.960 542 HA ARG 71 HA ARG 71 5.139 -12.729 -4.678 543 1HB ARG 71 1HB ARG 71 5.005 -12.245 -1.691 544 2HB ARG 71 2HB ARG 71 3.703 -13.141 -2.449 545 1HG ARG 71 1HG ARG 71 6.575 -13.910 -3.037 546 2HG ARG 71 2HG ARG 71 5.839 -14.421 -1.531 547 1HD ARG 71 1HD ARG 71 4.033 -14.898 -3.800 548 2HD ARG 71 2HD ARG 71 5.580 -15.681 -4.052 549 HE ARG 71 HE ARG 71 4.934 -16.288 -1.407 550 1HH1 ARG 71 2HH2 ARG 71 3.344 -16.766 -4.536 551 2HH1 ARG 71 1HH2 ARG 71 2.511 -18.199 -4.035 552 1HH2 ARG 71 1HH ARG 71 2.813 -19.011 -1.801 553 H HIS 72 H HIS 72 3.920 -10.274 -2.268 554 HA HIS 72 HA HIS 72 1.916 -9.519 -4.257 555 1HB HIS 72 1HB HIS 72 1.503 -10.425 -1.434 556 2HB HIS 72 2HB HIS 72 0.466 -9.158 -2.058 557 HD1 HIS 72 HD1 HIS 72 -0.805 -11.836 -1.346 558 HD2 HIS 72 HD2 HIS 72 0.678 -10.943 -5.167 559 HE1 HIS 72 HE1 HIS 72 -2.006 -13.403 -2.963 560 H PHE 73 H PHE 73 1.829 -7.346 -4.618 561 HA PHE 73 HA PHE 73 2.599 -5.546 -2.497 562 1HB PHE 73 1HB PHE 73 4.195 -4.441 -4.283 563 2HB PHE 73 2HB PHE 73 4.781 -5.876 -3.464 564 HD1 PHE 73 HD1 PHE 73 3.896 -4.418 -6.629 565 HD2 PHE 73 HD2 PHE 73 4.633 -8.098 -4.647 566 HE1 PHE 73 HE1 PHE 73 4.247 -5.543 -8.846 567 HE2 PHE 73 HE2 PHE 73 4.985 -9.222 -6.863 568 HZ PHE 73 HZ PHE 73 4.788 -7.930 -8.937 569 H ILE 74 H ILE 74 2.312 -3.188 -3.257 570 HA ILE 74 HA ILE 74 0.752 -2.788 -5.609 571 HB ILE 74 HB ILE 74 -1.154 -3.486 -4.637 572 1HG1 ILE 74 1HG1 ILE 74 -1.043 -0.757 -3.329 573 2HG1 ILE 74 2HG1 ILE 74 -1.270 -0.989 -5.051 574 1HG2 ILE 74 1HG2 ILE 74 -1.646 -3.481 -2.237 575 2HG2 ILE 74 2HG2 ILE 74 -0.099 -2.657 -1.919 576 3HG2 ILE 74 3HG2 ILE 74 -0.109 -4.306 -2.592 577 1HD1 ILE 74 1HD1 ILE 74 -3.102 -2.762 -3.750 578 2HD1 ILE 74 2HD1 ILE 74 -3.481 -1.302 -4.693 579 3HD1 ILE 74 3HD1 ILE 74 -3.229 -1.185 -2.935 580 H TYR 75 H TYR 75 1.530 -0.898 -6.356 581 HA TYR 75 HA TYR 75 2.394 1.066 -4.343 582 1HB TYR 75 1HB TYR 75 4.239 0.262 -5.739 583 2HB TYR 75 2HB TYR 75 3.234 0.244 -7.175 584 HD1 TYR 75 HD1 TYR 75 3.658 3.000 -4.680 585 HD2 TYR 75 HD2 TYR 75 4.373 1.646 -8.674 586 HE1 TYR 75 HE1 TYR 75 4.518 5.306 -5.314 587 HE2 TYR 75 HE2 TYR 75 5.232 3.958 -9.295 588 HH TYR 75 HH TYR 75 5.520 6.001 -8.650 589 H PHE 76 H PHE 76 1.009 2.746 -4.122 590 HA PHE 76 HA PHE 76 -0.049 3.930 -6.553 591 1HB PHE 76 1HB PHE 76 -2.333 3.997 -5.355 592 2HB PHE 76 2HB PHE 76 -1.834 2.395 -5.856 593 HD1 PHE 76 HD1 PHE 76 -3.138 4.245 -3.211 594 HD2 PHE 76 HD2 PHE 76 -0.420 1.086 -4.005 595 HE1 PHE 76 HE1 PHE 76 -3.404 3.424 -0.854 596 HE2 PHE 76 HE2 PHE 76 -0.685 0.264 -1.648 597 HZ PHE 76 HZ PHE 76 -2.173 1.443 -0.100 598 H TYR 77 H TYR 77 -1.516 5.969 -5.716 599 HA TYR 77 HA TYR 77 0.248 7.352 -3.818 600 1HB TYR 77 1HB TYR 77 -0.373 7.966 -6.387 601 2HB TYR 77 2HB TYR 77 -1.851 8.576 -5.671 602 HD1 TYR 77 HD1 TYR 77 -1.870 10.871 -5.395 603 HD2 TYR 77 HD2 TYR 77 1.813 8.769 -4.833 604 HE1 TYR 77 HE1 TYR 77 -0.696 13.059 -4.852 605 HE2 TYR 77 HE2 TYR 77 2.975 10.964 -4.290 606 HH TYR 77 HH TYR 77 1.659 13.500 -3.302 607 H LEU 78 H LEU 78 -0.530 7.741 -1.811 608 HA LEU 78 HA LEU 78 -3.416 7.524 -1.436 609 1HB LEU 78 1HB LEU 78 -1.347 6.395 -0.090 610 2HB LEU 78 2HB LEU 78 -1.618 7.826 0.885 611 HG LEU 78 HG LEU 78 -3.881 7.193 1.354 612 1HD1 LEU 78 1HD1 LEU 78 -3.554 5.502 -1.016 613 2HD1 LEU 78 2HD1 LEU 78 -5.022 6.207 -0.294 614 3HD1 LEU 78 3HD1 LEU 78 -4.361 4.680 0.341 615 1HD2 LEU 78 1HD2 LEU 78 -2.771 4.502 1.730 616 2HD2 LEU 78 2HD2 LEU 78 -3.330 5.698 2.924 617 3HD2 LEU 78 3HD2 LEU 78 -1.685 5.812 2.252 618 H GLY 79 H GLY 79 -4.544 9.382 -1.625 619 1HA GLY 79 2HA GLY 79 -5.131 11.537 -1.392 620 2HA GLY 79 1HA GLY 79 -4.090 11.592 0.018 621 H GLN 80 H GLN 80 -1.743 12.049 -0.290 622 HA GLN 80 HA GLN 80 -1.063 13.106 -2.879 623 1HB GLN 80 1HB GLN 80 -2.132 14.891 -1.131 624 2HB GLN 80 2HB GLN 80 -0.465 14.956 -0.597 625 1HG GLN 80 1HG GLN 80 -0.147 15.051 -3.346 626 2HG GLN 80 2HG GLN 80 -1.672 15.892 -3.153 627 1HE2 GLN 80 2HE2 GLN 80 1.178 16.688 -3.806 628 2HE2 GLN 80 1HE2 GLN 80 1.531 18.028 -2.769 629 H VAL 81 H VAL 81 -0.220 10.776 -1.367 630 HA VAL 81 HA VAL 81 2.604 11.432 -1.183 631 HB VAL 81 HB VAL 81 1.486 11.628 1.099 632 1HG1 VAL 81 1HG1 VAL 81 -0.038 9.811 1.119 633 2HG1 VAL 81 2HG1 VAL 81 1.251 9.373 2.266 634 3HG1 VAL 81 3HG1 VAL 81 1.222 8.646 0.641 635 1HG2 VAL 81 1HG2 VAL 81 3.992 11.007 0.412 636 2HG2 VAL 81 2HG2 VAL 81 3.573 9.495 1.255 637 3HG2 VAL 81 3HG2 VAL 81 3.457 11.052 2.109 638 H ALA 82 H ALA 82 3.975 9.513 -1.418 639 HA ALA 82 HA ALA 82 2.631 7.535 -3.053 640 1HB ALA 82 1HB ALA 82 4.579 8.212 -4.102 641 2HB ALA 82 2HB ALA 82 5.191 6.812 -3.190 642 3HB ALA 82 3HB ALA 82 5.447 8.460 -2.568 643 H ILE 83 H ILE 83 2.491 5.324 -2.570 644 HA ILE 83 HA ILE 83 3.682 4.404 -0.096 645 HB ILE 83 HB ILE 83 1.239 5.460 0.141 646 1HG1 ILE 83 1HG1 ILE 83 2.039 2.919 1.582 647 2HG1 ILE 83 2HG1 ILE 83 2.788 4.476 1.884 648 1HG2 ILE 83 1HG2 ILE 83 0.619 2.543 -0.361 649 2HG2 ILE 83 2HG2 ILE 83 0.350 3.824 -1.568 650 3HG2 ILE 83 3HG2 ILE 83 -0.513 3.871 -0.012 651 1HD1 ILE 83 1HD1 ILE 83 0.000 3.549 2.519 652 2HD1 ILE 83 2HD1 ILE 83 0.225 5.267 2.111 653 3HD1 ILE 83 3HD1 ILE 83 1.109 4.555 3.482 654 H LEU 84 H LEU 84 4.646 2.510 -0.572 655 HA LEU 84 HA LEU 84 3.300 0.804 -2.543 656 1HB LEU 84 1HB LEU 84 5.439 0.223 -3.507 657 2HB LEU 84 2HB LEU 84 5.110 1.936 -3.666 658 HG LEU 84 HG LEU 84 6.640 1.389 -1.254 659 1HD1 LEU 84 1HD1 LEU 84 7.621 0.220 -3.841 660 2HD1 LEU 84 2HD1 LEU 84 7.684 -0.449 -2.194 661 3HD1 LEU 84 3HD1 LEU 84 8.769 0.884 -2.656 662 1HD2 LEU 84 1HD2 LEU 84 6.936 3.130 -3.696 663 2HD2 LEU 84 2HD2 LEU 84 8.207 3.031 -2.454 664 3HD2 LEU 84 3HD2 LEU 84 6.577 3.598 -2.017 665 H LEU 85 H LEU 85 2.650 -1.013 -1.536 666 HA LEU 85 HA LEU 85 4.308 -1.943 0.702 667 1HB LEU 85 1HB LEU 85 2.130 -1.307 1.433 668 2HB LEU 85 2HB LEU 85 1.358 -2.204 0.140 669 HG LEU 85 HG LEU 85 2.943 -4.057 1.611 670 1HD1 LEU 85 1HD1 LEU 85 1.650 -1.982 3.294 671 2HD1 LEU 85 2HD1 LEU 85 3.057 -3.022 3.619 672 3HD1 LEU 85 3HD1 LEU 85 1.409 -3.676 3.785 673 1HD2 LEU 85 1HD2 LEU 85 -0.064 -3.715 1.638 674 2HD2 LEU 85 2HD2 LEU 85 0.868 -5.205 1.919 675 3HD2 LEU 85 3HD2 LEU 85 0.849 -4.457 0.303 676 H PHE 86 H PHE 86 4.987 -4.108 0.771 677 HA PHE 86 HA PHE 86 4.132 -5.881 -1.328 678 1HB PHE 86 1HB PHE 86 6.475 -6.153 -2.169 679 2HB PHE 86 2HB PHE 86 5.970 -4.486 -2.350 680 HD1 PHE 86 HD1 PHE 86 7.038 -2.728 -1.122 681 HD2 PHE 86 HD2 PHE 86 8.067 -6.777 -0.380 682 HE1 PHE 86 HE1 PHE 86 9.049 -1.978 0.181 683 HE2 PHE 86 HE2 PHE 86 10.077 -6.028 0.925 684 HZ PHE 86 HZ PHE 86 10.544 -3.636 1.187 685 H LYS 87 H LYS 87 5.063 -8.103 -1.032 686 HA LYS 87 HA LYS 87 5.825 -8.488 1.780 687 1HB LYS 87 1HB LYS 87 3.520 -9.351 0.618 688 2HB LYS 87 2HB LYS 87 4.557 -10.730 0.316 689 1HG LYS 87 1HG LYS 87 4.568 -9.495 3.075 690 2HG LYS 87 2HG LYS 87 3.205 -10.495 2.614 691 1HD LYS 87 1HD LYS 87 4.743 -12.010 3.629 692 2HD LYS 87 2HD LYS 87 4.917 -12.291 1.909 693 1HE LYS 87 1HE LYS 87 6.721 -10.154 2.659 694 2HE LYS 87 2HE LYS 87 6.941 -11.478 3.787 695 1HZ LYS 87 1HZ LYS 87 6.748 -12.261 0.994 696 H SER 88 H SER 88 8.032 -8.639 1.720 697 HA SER 88 HA SER 88 9.055 -10.626 -0.153 698 1HB SER 88 1HB SER 88 10.981 -9.323 -0.586 699 2HB SER 88 2HB SER 88 9.673 -8.156 -0.613 700 HG SER 88 HG SER 88 11.599 -7.510 0.660 701 H GLY 89 H GLY 89 9.660 -12.417 1.007 702 1HA GLY 89 2HA GLY 89 10.428 -13.703 2.684 703 2HA GLY 89 1HA GLY 89 11.626 -12.448 2.936 Start of MODEL 7 1 1H MET 1 H MET 1 -16.027 18.893 -9.039 2 HA MET 1 HA MET 1 -13.792 17.362 -10.103 3 1HB MET 1 1HB MET 1 -15.014 19.998 -10.657 4 2HB MET 1 2HB MET 1 -13.287 20.145 -10.394 5 1HG MET 1 1HG MET 1 -12.769 18.632 -12.192 6 2HG MET 1 2HG MET 1 -14.407 18.016 -12.261 7 1HE MET 1 1HE MET 1 -12.075 21.085 -13.696 8 2HE MET 1 2HE MET 1 -12.139 19.349 -14.085 9 3HE MET 1 3HE MET 1 -12.855 20.540 -15.199 10 H SER 2 H SER 2 -11.563 18.648 -9.609 11 HA SER 2 HA SER 2 -10.064 19.213 -8.145 12 1HB SER 2 1HB SER 2 -12.466 20.607 -7.113 13 2HB SER 2 2HB SER 2 -11.251 20.314 -5.884 14 HG SER 2 HG SER 2 -10.946 22.357 -7.015 15 H ASP 3 H ASP 3 -10.173 16.680 -8.028 16 HA ASP 3 HA ASP 3 -10.236 16.047 -5.222 17 1HB ASP 3 1HB ASP 3 -12.152 15.009 -7.235 18 2HB ASP 3 2HB ASP 3 -11.335 13.739 -6.346 19 HD2 ASP 3 HD ASP 3 -14.358 14.770 -5.816 20 H ARG 4 H ARG 4 -9.424 13.528 -5.083 21 HA ARG 4 HA ARG 4 -7.532 13.111 -7.246 22 1HB ARG 4 1HB ARG 4 -6.995 13.410 -4.304 23 2HB ARG 4 2HB ARG 4 -6.097 12.150 -5.126 24 1HG ARG 4 1HG ARG 4 -4.673 13.984 -5.431 25 2HG ARG 4 2HG ARG 4 -5.594 14.023 -6.923 26 1HD ARG 4 1HD ARG 4 -7.075 15.769 -6.046 27 2HD ARG 4 2HD ARG 4 -6.376 15.629 -4.445 28 HE ARG 4 HE ARG 4 -4.553 16.928 -5.141 29 1HH1 ARG 4 2HH2 ARG 4 -6.315 15.790 -7.999 30 2HH1 ARG 4 1HH2 ARG 4 -5.408 16.771 -9.101 31 1HH2 ARG 4 1HH ARG 4 -3.674 18.192 -8.256 32 H LYS 5 H LYS 5 -9.014 11.730 -4.225 33 HA LYS 5 HA LYS 5 -9.998 9.776 -3.861 34 1HB LYS 5 1HB LYS 5 -10.249 10.038 -6.675 35 2HB LYS 5 2HB LYS 5 -9.733 8.390 -6.375 36 1HG LYS 5 1HG LYS 5 -11.836 9.405 -4.514 37 2HG LYS 5 2HG LYS 5 -12.341 9.257 -6.185 38 1HD LYS 5 1HD LYS 5 -12.519 7.008 -5.968 39 2HD LYS 5 2HD LYS 5 -10.828 6.894 -5.523 40 1HE LYS 5 1HE LYS 5 -11.723 6.091 -3.550 41 2HE LYS 5 2HE LYS 5 -11.780 7.798 -3.157 42 1HZ LYS 5 1HZ LYS 5 -14.111 7.344 -4.533 43 H ALA 6 H ALA 6 -9.430 7.254 -4.007 44 HA ALA 6 HA ALA 6 -6.975 6.936 -2.826 45 1HB ALA 6 1HB ALA 6 -9.175 5.392 -3.253 46 2HB ALA 6 2HB ALA 6 -7.622 4.753 -2.659 47 3HB ALA 6 3HB ALA 6 -8.033 4.633 -4.387 48 H VAL 7 H VAL 7 -7.869 5.953 -6.217 49 HA VAL 7 HA VAL 7 -6.666 5.821 -8.066 50 HB VAL 7 HB VAL 7 -4.733 7.698 -6.692 51 1HG1 VAL 7 1HG1 VAL 7 -3.612 7.036 -8.601 52 2HG1 VAL 7 2HG1 VAL 7 -4.529 8.433 -9.212 53 3HG1 VAL 7 3HG1 VAL 7 -5.109 6.781 -9.527 54 1HG2 VAL 7 1HG2 VAL 7 -6.146 9.419 -6.983 55 2HG2 VAL 7 2HG2 VAL 7 -7.413 8.179 -7.128 56 3HG2 VAL 7 3HG2 VAL 7 -6.656 8.852 -8.591 57 H ILE 8 H ILE 8 -4.680 4.823 -9.009 58 HA ILE 8 HA ILE 8 -2.877 3.617 -7.106 59 HB ILE 8 HB ILE 8 -5.020 2.100 -8.518 60 1HG1 ILE 8 1HG1 ILE 8 -4.190 0.812 -6.175 61 2HG1 ILE 8 2HG1 ILE 8 -4.073 2.519 -5.797 62 1HG2 ILE 8 1HG2 ILE 8 -2.257 1.001 -7.938 63 2HG2 ILE 8 2HG2 ILE 8 -3.032 1.176 -9.532 64 3HG2 ILE 8 3HG2 ILE 8 -3.689 0.023 -8.344 65 1HD1 ILE 8 1HD1 ILE 8 -6.405 2.876 -6.577 66 2HD1 ILE 8 2HD1 ILE 8 -6.339 1.645 -5.293 67 3HD1 ILE 8 3HD1 ILE 8 -6.527 1.150 -6.993 68 H LYS 9 H LYS 9 -0.873 3.183 -8.026 69 HA LYS 9 HA LYS 9 -0.584 4.172 -10.739 70 1HB LYS 9 1HB LYS 9 1.173 3.858 -8.359 71 2HB LYS 9 2HB LYS 9 1.940 3.676 -9.924 72 1HG LYS 9 1HG LYS 9 1.914 5.920 -10.228 73 2HG LYS 9 2HG LYS 9 0.166 5.939 -10.097 74 1HD LYS 9 1HD LYS 9 0.241 6.813 -7.998 75 2HD LYS 9 2HD LYS 9 1.384 5.600 -7.455 76 1HE LYS 9 1HE LYS 9 2.759 7.451 -7.267 77 2HE LYS 9 2HE LYS 9 3.092 7.069 -8.943 78 1HZ LYS 9 1HZ LYS 9 2.468 9.432 -8.574 79 H ASN 10 H ASN 10 0.760 1.367 -8.851 80 HA ASN 10 HA ASN 10 0.040 -0.315 -11.077 81 1HB ASN 10 1HB ASN 10 2.543 0.645 -11.182 82 2HB ASN 10 2HB ASN 10 2.850 -0.574 -9.961 83 1HD2 ASN 10 2HD2 ASN 10 4.236 -0.945 -12.093 84 2HD2 ASN 10 1HD2 ASN 10 3.635 -2.192 -13.132 85 H ALA 11 H ALA 11 -1.133 -1.904 -9.985 86 HA ALA 11 HA ALA 11 0.118 -3.105 -7.636 87 1HB ALA 11 1HB ALA 11 -2.823 -2.350 -7.696 88 2HB ALA 11 2HB ALA 11 -1.577 -1.297 -6.985 89 3HB ALA 11 3HB ALA 11 -1.858 -2.920 -6.312 90 H ASP 12 H ASP 12 0.586 -4.520 -9.668 91 HA ASP 12 HA ASP 12 -1.375 -5.811 -11.022 92 1HB ASP 12 1HB ASP 12 1.432 -6.515 -10.177 93 2HB ASP 12 2HB ASP 12 0.459 -7.790 -10.887 94 HD2 ASP 12 HD ASP 12 2.082 -7.702 -12.445 95 H MET 13 H MET 13 -3.165 -6.434 -9.650 96 HA MET 13 HA MET 13 -2.854 -8.930 -8.401 97 1HB MET 13 1HB MET 13 -2.553 -6.503 -6.773 98 2HB MET 13 2HB MET 13 -3.963 -7.399 -6.245 99 1HG MET 13 1HG MET 13 -1.131 -8.514 -6.518 100 2HG MET 13 2HG MET 13 -1.954 -8.157 -5.013 101 1HE MET 13 1HE MET 13 -2.017 -11.480 -7.820 102 2HE MET 13 2HE MET 13 -0.789 -10.329 -7.237 103 3HE MET 13 3HE MET 13 -1.170 -11.784 -6.284 104 H SER 14 H SER 14 -5.104 -9.228 -6.917 105 HA SER 14 HA SER 14 -7.129 -8.645 -8.875 106 1HB SER 14 1HB SER 14 -7.160 -10.908 -8.149 107 2HB SER 14 2HB SER 14 -6.943 -10.475 -6.465 108 HG SER 14 HG SER 14 -9.210 -11.102 -7.421 109 H GLU 15 H GLU 15 -9.132 -7.539 -8.369 110 HA GLU 15 HA GLU 15 -8.874 -5.297 -6.873 111 1HB GLU 15 1HB GLU 15 -10.750 -6.246 -8.579 112 2HB GLU 15 2HB GLU 15 -11.617 -6.500 -7.078 113 1HG GLU 15 1HG GLU 15 -12.235 -4.312 -7.269 114 2HG GLU 15 2HG GLU 15 -10.621 -3.947 -6.689 115 HE2 GLU 15 HE GLU 15 -9.388 -4.834 -9.299 116 H GLU 16 H GLU 16 -9.394 -8.561 -5.784 117 HA GLU 16 HA GLU 16 -10.830 -8.081 -3.477 118 1HB GLU 16 1HB GLU 16 -9.232 -10.259 -4.632 119 2HB GLU 16 2HB GLU 16 -9.103 -10.221 -2.886 120 1HG GLU 16 1HG GLU 16 -11.023 -11.625 -3.672 121 2HG GLU 16 2HG GLU 16 -11.537 -10.312 -2.633 122 HE2 GLU 16 HE GLU 16 -12.984 -11.265 -5.779 123 H MET 17 H MET 17 -7.234 -8.529 -3.862 124 HA MET 17 HA MET 17 -6.829 -7.525 -1.227 125 1HB MET 17 1HB MET 17 -4.895 -8.219 -3.507 126 2HB MET 17 2HB MET 17 -4.386 -7.850 -1.872 127 1HG MET 17 1HG MET 17 -4.499 -10.152 -1.659 128 2HG MET 17 2HG MET 17 -6.171 -9.793 -1.276 129 1HE MET 17 1HE MET 17 -4.560 -12.598 -3.231 130 2HE MET 17 2HE MET 17 -4.379 -11.850 -4.837 131 3HE MET 17 3HE MET 17 -3.607 -11.106 -3.416 132 H GLN 18 H GLN 18 -6.644 -6.318 -4.579 133 HA GLN 18 HA GLN 18 -5.127 -4.055 -4.010 134 1HB GLN 18 1HB GLN 18 -5.515 -5.003 -6.295 135 2HB GLN 18 2HB GLN 18 -7.186 -4.483 -6.221 136 1HG GLN 18 1HG GLN 18 -6.339 -2.098 -5.851 137 2HG GLN 18 2HG GLN 18 -4.717 -2.687 -6.158 138 1HE2 GLN 18 2HE2 GLN 18 -4.724 -4.273 -8.171 139 2HE2 GLN 18 1HE2 GLN 18 -5.415 -3.607 -9.612 140 H GLN 19 H GLN 19 -8.689 -4.662 -4.125 141 HA GLN 19 HA GLN 19 -9.316 -1.972 -3.574 142 1HB GLN 19 1HB GLN 19 -10.789 -3.757 -4.709 143 2HB GLN 19 2HB GLN 19 -11.108 -4.387 -3.105 144 1HG GLN 19 1HG GLN 19 -11.768 -1.601 -4.154 145 2HG GLN 19 2HG GLN 19 -12.902 -2.844 -3.666 146 1HE2 GLN 19 2HE2 GLN 19 -11.582 -0.027 -2.772 147 2HE2 GLN 19 1HE2 GLN 19 -11.665 -0.121 -1.045 148 H ASP 20 H ASP 20 -9.332 -5.020 -1.597 149 HA ASP 20 HA ASP 20 -10.194 -3.915 0.734 150 1HB ASP 20 1HB ASP 20 -9.726 -6.378 0.166 151 2HB ASP 20 2HB ASP 20 -8.034 -6.061 0.497 152 HD2 ASP 20 HD ASP 20 -9.299 -7.788 2.986 153 H ALA 21 H ALA 21 -6.801 -4.399 -0.501 154 HA ALA 21 HA ALA 21 -5.456 -3.333 1.668 155 1HB ALA 21 1HB ALA 21 -4.744 -3.285 -1.294 156 2HB ALA 21 2HB ALA 21 -4.410 -4.614 -0.159 157 3HB ALA 21 3HB ALA 21 -3.604 -3.041 0.052 158 H VAL 22 H VAL 22 -6.102 -1.648 -1.494 159 HA VAL 22 HA VAL 22 -5.379 0.855 -0.692 160 HB VAL 22 HB VAL 22 -6.232 -0.221 -2.958 161 1HG1 VAL 22 1HG1 VAL 22 -8.655 0.010 -1.742 162 2HG1 VAL 22 2HG1 VAL 22 -8.413 0.015 -3.505 163 3HG1 VAL 22 3HG1 VAL 22 -8.580 1.553 -2.627 164 1HG2 VAL 22 1HG2 VAL 22 -6.870 2.482 -3.363 165 2HG2 VAL 22 2HG2 VAL 22 -5.279 1.706 -3.562 166 3HG2 VAL 22 3HG2 VAL 22 -5.708 2.474 -2.014 167 H ASP 23 H ASP 23 -8.154 -1.051 0.285 168 HA ASP 23 HA ASP 23 -9.846 1.036 0.966 169 1HB ASP 23 1HB ASP 23 -9.979 -1.714 0.985 170 2HB ASP 23 2HB ASP 23 -9.841 -1.398 2.703 171 HD2 ASP 23 HD ASP 23 -12.759 0.776 1.338 172 H CYS 24 H CYS 24 -7.720 -1.089 3.044 173 HA CYS 24 HA CYS 24 -8.040 0.442 5.349 174 1HB CYS 24 1HB CYS 24 -6.036 -1.639 4.486 175 2HB CYS 24 2HB CYS 24 -5.830 -0.783 6.001 176 HG CYS 24 HG CYS 24 -8.860 -1.702 5.373 177 H ALA 25 H ALA 25 -5.951 0.678 2.485 178 HA ALA 25 HA ALA 25 -3.980 2.346 3.589 179 1HB ALA 25 1HB ALA 25 -4.695 2.647 0.717 180 2HB ALA 25 2HB ALA 25 -4.323 0.991 1.254 181 3HB ALA 25 3HB ALA 25 -3.125 2.289 1.475 182 H THR 26 H THR 26 -6.567 3.273 1.209 183 HA THR 26 HA THR 26 -6.382 5.980 1.575 184 HB THR 26 HB THR 26 -7.687 4.663 -0.180 185 HG1 THR 26 HG1 THR 26 -7.956 7.009 0.370 186 1HG2 THR 26 1HG2 THR 26 -9.832 4.667 2.005 187 2HG2 THR 26 2HG2 THR 26 -8.973 3.204 1.466 188 3HG2 THR 26 3HG2 THR 26 -10.021 4.090 0.332 189 H GLN 27 H GLN 27 -8.377 3.635 3.459 190 HA GLN 27 HA GLN 27 -9.651 5.544 4.981 191 1HB GLN 27 1HB GLN 27 -8.966 2.627 5.426 192 2HB GLN 27 2HB GLN 27 -9.770 3.542 6.685 193 1HG GLN 27 1HG GLN 27 -11.364 4.267 4.629 194 2HG GLN 27 2HG GLN 27 -10.788 2.753 3.959 195 1HE2 GLN 27 2HE2 GLN 27 -12.910 4.271 6.111 196 2HE2 GLN 27 1HE2 GLN 27 -13.581 2.881 6.897 197 H ALA 28 H ALA 28 -6.509 3.835 5.450 198 HA ALA 28 HA ALA 28 -5.949 4.685 8.009 199 1HB ALA 28 1HB ALA 28 -4.090 4.229 5.640 200 2HB ALA 28 2HB ALA 28 -4.655 2.996 6.792 201 3HB ALA 28 3HB ALA 28 -3.582 4.304 7.344 202 H LEU 29 H LEU 29 -5.144 6.278 4.844 203 HA LEU 29 HA LEU 29 -3.994 8.536 6.070 204 1HB LEU 29 1HB LEU 29 -3.370 7.949 3.863 205 2HB LEU 29 2HB LEU 29 -5.030 7.954 3.303 206 HG LEU 29 HG LEU 29 -4.297 10.552 4.380 207 1HD1 LEU 29 1HD1 LEU 29 -2.055 10.194 3.787 208 2HD1 LEU 29 2HD1 LEU 29 -2.751 11.098 2.420 209 3HD1 LEU 29 3HD1 LEU 29 -2.492 9.341 2.286 210 1HD2 LEU 29 1HD2 LEU 29 -4.895 10.094 1.493 211 2HD2 LEU 29 2HD2 LEU 29 -5.505 11.336 2.615 212 3HD2 LEU 29 3HD2 LEU 29 -6.148 9.678 2.687 213 H GLU 30 H GLU 30 -7.293 7.498 5.471 214 HA GLU 30 HA GLU 30 -8.287 10.180 5.743 215 1HB GLU 30 1HB GLU 30 -9.223 7.847 4.498 216 2HB GLU 30 2HB GLU 30 -10.274 8.013 5.890 217 1HG GLU 30 1HG GLU 30 -10.754 10.386 5.239 218 2HG GLU 30 2HG GLU 30 -9.709 10.211 3.842 219 HE2 GLU 30 HE GLU 30 -10.757 9.252 2.009 220 H LYS 31 H LYS 31 -6.847 8.296 7.896 221 HA LYS 31 HA LYS 31 -8.703 9.065 10.022 222 1HB LYS 31 1HB LYS 31 -9.216 6.786 9.850 223 2HB LYS 31 2HB LYS 31 -7.562 6.328 9.501 224 1HG LYS 31 1HG LYS 31 -6.866 6.867 11.798 225 2HG LYS 31 2HG LYS 31 -8.450 7.519 12.169 226 1HD LYS 31 1HD LYS 31 -8.221 4.663 11.186 227 2HD LYS 31 2HD LYS 31 -7.834 5.026 12.857 228 1HE LYS 31 1HE LYS 31 -10.084 6.077 13.155 229 2HE LYS 31 2HE LYS 31 -10.472 5.735 11.481 230 1HZ LYS 31 1HZ LYS 31 -11.320 4.019 13.021 231 H TYR 32 H TYR 32 -5.393 8.029 9.023 232 HA TYR 32 HA TYR 32 -4.320 9.323 11.406 233 1HB TYR 32 1HB TYR 32 -3.377 7.486 9.142 234 2HB TYR 32 2HB TYR 32 -2.183 8.298 10.135 235 HD1 TYR 32 HD1 TYR 32 -4.544 5.555 9.934 236 HD2 TYR 32 HD2 TYR 32 -2.095 7.821 12.612 237 HE1 TYR 32 HE1 TYR 32 -4.719 3.705 11.670 238 HE2 TYR 32 HE2 TYR 32 -2.278 5.965 14.340 239 HH TYR 32 HH TYR 32 -4.531 3.740 14.359 240 H ASN 33 H ASN 33 -1.837 10.168 10.541 241 HA ASN 33 HA ASN 33 -2.360 11.946 8.323 242 1HB ASN 33 1HB ASN 33 -2.863 13.043 10.668 243 2HB ASN 33 2HB ASN 33 -1.125 13.020 10.897 244 1HD2 ASN 33 2HD2 ASN 33 -2.549 15.357 10.873 245 2HD2 ASN 33 1HD2 ASN 33 -2.154 16.308 9.481 246 H ILE 34 H ILE 34 -0.116 10.750 10.910 247 HA ILE 34 HA ILE 34 2.246 11.524 9.572 248 HB ILE 34 HB ILE 34 1.799 9.446 11.719 249 1HG1 ILE 34 1HG1 ILE 34 2.926 11.872 12.716 250 2HG1 ILE 34 2HG1 ILE 34 1.506 12.296 11.780 251 1HG2 ILE 34 1HG2 ILE 34 4.044 9.696 10.254 252 2HG2 ILE 34 2HG2 ILE 34 4.035 9.243 11.975 253 3HG2 ILE 34 3HG2 ILE 34 4.361 10.925 11.501 254 1HD1 ILE 34 1HD1 ILE 34 0.053 11.067 13.151 255 2HD1 ILE 34 2HD1 ILE 34 1.263 11.623 14.332 256 3HD1 ILE 34 3HD1 ILE 34 1.338 9.962 13.694 257 H GLU 35 H GLU 35 1.970 10.836 7.374 258 HA GLU 35 HA GLU 35 1.202 8.577 6.348 259 1HB GLU 35 1HB GLU 35 3.649 10.233 5.711 260 2HB GLU 35 2HB GLU 35 3.330 8.784 4.779 261 1HG GLU 35 1HG GLU 35 1.695 9.822 3.594 262 2HG GLU 35 2HG GLU 35 0.864 10.302 5.059 263 HE2 GLU 35 HE GLU 35 1.133 12.812 3.257 264 H LYS 36 H LYS 36 4.314 8.987 8.117 265 HA LYS 36 HA LYS 36 5.454 6.551 7.591 266 1HB LYS 36 1HB LYS 36 5.673 8.634 9.661 267 2HB LYS 36 2HB LYS 36 6.157 7.041 10.209 268 1HG LYS 36 1HG LYS 36 7.723 6.813 8.316 269 2HG LYS 36 2HG LYS 36 7.169 8.328 7.629 270 1HD LYS 36 1HD LYS 36 7.852 9.144 10.175 271 2HD LYS 36 2HD LYS 36 9.007 7.849 9.931 272 1HE LYS 36 1HE LYS 36 9.067 9.234 7.486 273 2HE LYS 36 2HE LYS 36 8.894 10.515 8.670 274 1HZ LYS 36 1HZ LYS 36 11.244 9.418 8.071 275 H ASP 37 H ASP 37 3.164 7.407 10.275 276 HA ASP 37 HA ASP 37 3.050 4.777 11.203 277 1HB ASP 37 1HB ASP 37 2.309 7.120 12.253 278 2HB ASP 37 2HB ASP 37 0.760 6.731 11.534 279 HD2 ASP 37 HD ASP 37 1.199 5.632 15.019 280 H ILE 38 H ILE 38 1.464 6.605 8.625 281 HA ILE 38 HA ILE 38 -0.874 5.065 8.393 282 HB ILE 38 HB ILE 38 0.597 6.679 6.306 283 1HG1 ILE 38 1HG1 ILE 38 -1.475 7.494 8.362 284 2HG1 ILE 38 2HG1 ILE 38 0.182 8.054 8.247 285 1HG2 ILE 38 1HG2 ILE 38 -2.180 5.512 6.430 286 2HG2 ILE 38 2HG2 ILE 38 -0.961 5.380 5.140 287 3HG2 ILE 38 3HG2 ILE 38 -1.798 6.925 5.419 288 1HD1 ILE 38 1HD1 ILE 38 -2.200 8.907 6.719 289 2HD1 ILE 38 2HD1 ILE 38 -0.777 8.594 5.694 290 3HD1 ILE 38 3HD1 ILE 38 -0.674 9.774 7.024 291 H ALA 39 H ALA 39 2.345 4.904 6.735 292 HA ALA 39 HA ALA 39 1.656 2.660 5.180 293 1HB ALA 39 1HB ALA 39 3.465 4.154 4.556 294 2HB ALA 39 2HB ALA 39 4.145 2.536 4.855 295 3HB ALA 39 3HB ALA 39 4.325 3.817 6.077 296 H ALA 40 H ALA 40 3.121 3.111 8.434 297 HA ALA 40 HA ALA 40 3.812 0.402 8.785 298 1HB ALA 40 1HB ALA 40 4.552 1.113 10.839 299 2HB ALA 40 2HB ALA 40 3.117 2.126 11.128 300 3HB ALA 40 3HB ALA 40 4.412 2.703 10.052 301 H TYR 41 H TYR 41 0.819 2.284 9.139 302 HA TYR 41 HA TYR 41 -0.519 0.370 10.754 303 1HB TYR 41 1HB TYR 41 -1.247 2.709 10.660 304 2HB TYR 41 2HB TYR 41 -1.210 2.720 8.909 305 HD1 TYR 41 HD1 TYR 41 -3.058 1.784 7.601 306 HD2 TYR 41 HD2 TYR 41 -3.145 1.748 11.878 307 HE1 TYR 41 HE1 TYR 41 -5.544 1.262 7.552 308 HE2 TYR 41 HE2 TYR 41 -5.632 1.227 11.815 309 HH TYR 41 HH TYR 41 -7.363 1.066 8.725 310 H ILE 42 H ILE 42 -0.241 0.989 7.218 311 HA ILE 42 HA ILE 42 -2.253 -0.849 6.496 312 HB ILE 42 HB ILE 42 0.078 0.272 4.938 313 1HG1 ILE 42 1HG1 ILE 42 -2.785 1.200 4.783 314 2HG1 ILE 42 2HG1 ILE 42 -1.703 1.838 6.006 315 1HG2 ILE 42 1HG2 ILE 42 -0.943 -0.468 2.954 316 2HG2 ILE 42 2HG2 ILE 42 -2.458 -0.890 3.787 317 3HG2 ILE 42 3HG2 ILE 42 -0.995 -1.867 4.054 318 1HD1 ILE 42 1HD1 ILE 42 -1.761 3.210 3.887 319 2HD1 ILE 42 2HD1 ILE 42 -1.059 1.821 3.022 320 3HD1 ILE 42 3HD1 ILE 42 -0.132 2.628 4.310 321 H LYS 43 H LYS 43 1.373 -1.086 6.292 322 HA LYS 43 HA LYS 43 1.490 -3.726 5.583 323 1HB LYS 43 1HB LYS 43 3.510 -2.655 5.435 324 2HB LYS 43 2HB LYS 43 3.317 -1.810 6.958 325 1HG LYS 43 1HG LYS 43 3.449 -4.778 7.202 326 2HG LYS 43 2HG LYS 43 4.914 -4.036 6.589 327 1HD LYS 43 1HD LYS 43 3.504 -3.004 9.085 328 2HD LYS 43 2HD LYS 43 4.709 -4.273 9.158 329 1HE LYS 43 1HE LYS 43 6.374 -2.760 8.060 330 2HE LYS 43 2HE LYS 43 5.168 -1.489 7.980 331 1HZ LYS 43 1HZ LYS 43 5.263 -2.398 10.629 332 H LYS 44 H LYS 44 1.456 -2.319 8.927 333 HA LYS 44 HA LYS 44 1.526 -4.789 10.225 334 1HB LYS 44 1HB LYS 44 2.113 -2.764 11.376 335 2HB LYS 44 2HB LYS 44 0.536 -2.059 11.082 336 1HG LYS 44 1HG LYS 44 0.452 -4.707 12.441 337 2HG LYS 44 2HG LYS 44 1.245 -3.451 13.371 338 1HD LYS 44 1HD LYS 44 -1.350 -2.709 12.048 339 2HD LYS 44 2HD LYS 44 -1.447 -3.824 13.397 340 1HE LYS 44 1HE LYS 44 0.365 -1.558 13.952 341 2HE LYS 44 2HE LYS 44 -1.260 -1.027 13.573 342 1HZ LYS 44 1HZ LYS 44 -1.957 -2.846 15.249 343 H GLU 45 H GLU 45 -1.142 -2.830 8.858 344 HA GLU 45 HA GLU 45 -3.233 -4.104 10.069 345 1HB GLU 45 1HB GLU 45 -2.807 -2.378 7.751 346 2HB GLU 45 2HB GLU 45 -4.067 -3.548 7.417 347 1HG GLU 45 1HG GLU 45 -4.041 -1.975 10.020 348 2HG GLU 45 2HG GLU 45 -4.742 -1.297 8.563 349 HE2 GLU 45 HE GLU 45 -5.756 -4.863 9.705 350 H PHE 46 H PHE 46 -1.570 -4.920 6.946 351 HA PHE 46 HA PHE 46 -3.155 -7.255 6.580 352 1HB PHE 46 1HB PHE 46 -0.885 -5.743 5.327 353 2HB PHE 46 2HB PHE 46 -0.824 -7.468 5.028 354 HD1 PHE 46 HD1 PHE 46 -3.712 -8.108 4.802 355 HD2 PHE 46 HD2 PHE 46 -1.492 -4.830 3.273 356 HE1 PHE 46 HE1 PHE 46 -5.379 -7.847 2.945 357 HE2 PHE 46 HE2 PHE 46 -3.161 -4.567 1.416 358 HZ PHE 46 HZ PHE 46 -5.084 -6.078 1.274 359 H ASP 47 H ASP 47 0.426 -6.821 7.095 360 HA ASP 47 HA ASP 47 1.195 -9.297 7.425 361 1HB ASP 47 1HB ASP 47 3.061 -8.345 8.323 362 2HB ASP 47 2HB ASP 47 2.217 -6.822 8.122 363 HD2 ASP 47 HD ASP 47 0.770 -7.467 11.294 364 H LYS 48 H LYS 48 -0.832 -7.398 9.680 365 HA LYS 48 HA LYS 48 -0.691 -8.620 12.029 366 1HB LYS 48 1HB LYS 48 -2.254 -6.848 11.626 367 2HB LYS 48 2HB LYS 48 -3.169 -7.816 10.488 368 1HG LYS 48 1HG LYS 48 -4.410 -7.914 12.533 369 2HG LYS 48 2HG LYS 48 -3.609 -9.467 12.410 370 1HD LYS 48 1HD LYS 48 -2.917 -9.019 14.548 371 2HD LYS 48 2HD LYS 48 -1.683 -8.058 13.759 372 1HE LYS 48 1HE LYS 48 -2.737 -6.677 15.470 373 2HE LYS 48 2HE LYS 48 -3.198 -6.045 13.902 374 1HZ LYS 48 1HZ LYS 48 -4.859 -7.411 15.867 375 H LYS 49 H LYS 49 -3.195 -9.835 9.706 376 HA LYS 49 HA LYS 49 -2.283 -12.544 10.284 377 1HB LYS 49 1HB LYS 49 -4.735 -11.324 11.306 378 2HB LYS 49 2HB LYS 49 -5.062 -12.753 10.345 379 1HG LYS 49 1HG LYS 49 -3.275 -13.977 11.698 380 2HG LYS 49 2HG LYS 49 -3.163 -12.565 12.729 381 1HD LYS 49 1HD LYS 49 -5.522 -12.777 13.383 382 2HD LYS 49 2HD LYS 49 -5.772 -14.066 12.223 383 1HE LYS 49 1HE LYS 49 -3.799 -14.235 14.551 384 2HE LYS 49 2HE LYS 49 -5.434 -14.861 14.613 385 1HZ LYS 49 1HZ LYS 49 -3.175 -16.095 13.485 386 H TYR 50 H TYR 50 -1.427 -11.818 8.037 387 HA TYR 50 HA TYR 50 -3.421 -12.714 6.092 388 1HB TYR 50 1HB TYR 50 -2.940 -10.087 6.357 389 2HB TYR 50 2HB TYR 50 -1.401 -10.459 5.608 390 HD1 TYR 50 HD1 TYR 50 -1.559 -9.383 3.522 391 HD2 TYR 50 HD2 TYR 50 -4.737 -11.941 4.811 392 HE1 TYR 50 HE1 TYR 50 -2.639 -9.210 1.226 393 HE2 TYR 50 HE2 TYR 50 -5.806 -11.759 2.511 394 HH TYR 50 HH TYR 50 -5.201 -9.462 0.420 395 H ASN 51 H ASN 51 0.003 -11.486 6.124 396 HA ASN 51 HA ASN 51 1.093 -14.018 5.792 397 1HB ASN 51 1HB ASN 51 -0.081 -13.413 3.456 398 2HB ASN 51 2HB ASN 51 1.344 -12.421 3.224 399 1HD2 ASN 51 2HD2 ASN 51 0.719 -14.562 1.597 400 2HD2 ASN 51 1HD2 ASN 51 1.894 -15.820 1.777 401 HA PRO 52 HA PRO 52 3.796 -10.454 6.774 402 1HB PRO 52 1HB PRO 52 4.621 -11.273 9.247 403 2HB PRO 52 2HB PRO 52 3.265 -10.193 9.000 404 1HG PRO 52 1HG PRO 52 3.241 -13.059 9.721 405 2HG PRO 52 2HG PRO 52 1.959 -11.875 9.883 406 1HD PRO 52 1HD PRO 52 2.169 -13.912 7.875 407 2HD PRO 52 2HD PRO 52 0.951 -12.656 7.970 408 H THR 53 H THR 53 7.089 -11.508 6.546 409 HA THR 53 HA THR 53 5.113 -9.646 7.654 410 HB THR 53 HB THR 53 7.207 -9.970 8.938 411 HG1 THR 53 HG1 THR 53 6.233 -7.797 8.657 412 1HG2 THR 53 1HG2 THR 53 9.158 -8.655 7.422 413 2HG2 THR 53 2HG2 THR 53 8.407 -9.749 6.235 414 3HG2 THR 53 3HG2 THR 53 9.114 -10.408 7.730 415 H TRP 54 H TRP 54 5.019 -7.434 6.830 416 HA TRP 54 HA TRP 54 5.490 -7.444 3.930 417 1HB TRP 54 1HB TRP 54 3.470 -5.892 5.558 418 2HB TRP 54 2HB TRP 54 3.699 -5.764 3.826 419 HD1 TRP 54 HD TRP 54 2.713 -8.550 6.387 420 HE1 TRP 54 HE1 TRP 54 1.009 -10.244 5.297 421 HE3 TRP 54 HE3 TRP 54 2.773 -6.446 1.759 422 HZ2 TRP 54 HZ2 TRP 54 -0.097 -10.510 2.680 423 HZ3 TRP 54 HZ3 TRP 54 1.351 -7.485 -0.008 424 HH2 TRP 54 HH TRP 54 -0.050 -9.447 0.393 425 H HIS 55 H HIS 55 6.164 -5.308 3.003 426 HA HIS 55 HA HIS 55 7.380 -3.532 4.954 427 1HB HIS 55 1HB HIS 55 8.942 -4.641 2.609 428 2HB HIS 55 2HB HIS 55 9.520 -3.530 3.835 429 HD1 HIS 55 HD1 HIS 55 10.699 -4.565 5.791 430 HD2 HIS 55 HD2 HIS 55 8.230 -7.304 3.789 431 HE1 HIS 55 HE1 HIS 55 11.109 -6.833 6.887 432 H CYS 56 H CYS 56 6.427 -1.607 4.523 433 HA CYS 56 HA CYS 56 6.070 -0.951 1.688 434 1HB CYS 56 1HB CYS 56 3.879 -1.164 2.495 435 2HB CYS 56 2HB CYS 56 4.266 -0.453 4.050 436 HG CYS 56 HG CYS 56 4.864 1.943 3.099 437 H ILE 57 H ILE 57 6.370 1.392 1.188 438 HA ILE 57 HA ILE 57 7.826 2.844 3.267 439 HB ILE 57 HB ILE 57 8.792 2.291 0.463 440 1HG1 ILE 57 1HG1 ILE 57 9.238 0.560 2.205 441 2HG1 ILE 57 2HG1 ILE 57 10.681 1.261 1.499 442 1HG2 ILE 57 1HG2 ILE 57 9.148 4.630 0.857 443 2HG2 ILE 57 2HG2 ILE 57 10.702 3.784 1.045 444 3HG2 ILE 57 3HG2 ILE 57 9.796 4.311 2.484 445 1HD1 ILE 57 1HD1 ILE 57 11.381 2.053 3.505 446 2HD1 ILE 57 2HD1 ILE 57 10.070 1.100 4.241 447 3HD1 ILE 57 3HD1 ILE 57 9.802 2.810 3.827 448 H VAL 58 H VAL 58 8.061 5.228 2.632 449 HA VAL 58 HA VAL 58 5.810 6.031 0.932 450 HB VAL 58 HB VAL 58 6.516 7.072 3.682 451 1HG1 VAL 58 1HG1 VAL 58 4.857 8.744 3.444 452 2HG1 VAL 58 2HG1 VAL 58 4.233 8.026 1.938 453 3HG1 VAL 58 3HG1 VAL 58 5.827 8.821 1.952 454 1HG2 VAL 58 1HG2 VAL 58 4.375 6.241 4.383 455 2HG2 VAL 58 2HG2 VAL 58 5.233 4.913 3.563 456 3HG2 VAL 58 3HG2 VAL 58 3.938 5.796 2.715 457 H GLY 59 H GLY 59 7.290 6.454 -0.784 458 1HA GLY 59 2HA GLY 59 9.015 8.802 -0.271 459 2HA GLY 59 1HA GLY 59 9.554 7.437 -1.227 460 H ARG 60 H ARG 60 8.879 7.195 -3.385 461 HA ARG 60 HA ARG 60 6.730 8.820 -4.316 462 1HB ARG 60 1HB ARG 60 9.337 9.899 -4.439 463 2HB ARG 60 2HB ARG 60 9.075 9.268 -6.052 464 1HG ARG 60 1HG ARG 60 6.684 10.662 -5.084 465 2HG ARG 60 2HG ARG 60 8.088 11.706 -4.995 466 1HD ARG 60 1HD ARG 60 8.616 11.072 -7.415 467 2HD ARG 60 2HD ARG 60 7.089 10.214 -7.467 468 HE ARG 60 HE ARG 60 6.469 12.790 -6.518 469 1HH1 ARG 60 2HH2 ARG 60 7.895 11.414 -9.455 470 2HH1 ARG 60 1HH2 ARG 60 7.335 12.697 -10.476 471 1HH2 ARG 60 1HH ARG 60 6.064 14.489 -9.518 472 H ASN 61 H ASN 61 9.547 6.682 -5.040 473 HA ASN 61 HA ASN 61 7.810 5.282 -6.904 474 1HB ASN 61 1HB ASN 61 10.056 6.772 -7.679 475 2HB ASN 61 2HB ASN 61 10.709 5.151 -7.548 476 1HD2 ASN 61 2HD2 ASN 61 10.455 3.805 -9.168 477 2HD2 ASN 61 1HD2 ASN 61 9.359 3.972 -10.498 478 H PHE 62 H PHE 62 9.671 3.194 -7.550 479 HA PHE 62 HA PHE 62 10.000 1.975 -4.908 480 1HB PHE 62 1HB PHE 62 8.625 1.144 -7.138 481 2HB PHE 62 2HB PHE 62 10.203 0.500 -7.551 482 HD1 PHE 62 HD1 PHE 62 10.691 0.160 -4.347 483 HD2 PHE 62 HD2 PHE 62 7.856 -1.234 -7.180 484 HE1 PHE 62 HE1 PHE 62 10.245 -1.852 -2.912 485 HE2 PHE 62 HE2 PHE 62 7.411 -3.245 -5.745 486 HZ PHE 62 HZ PHE 62 8.611 -3.530 -3.628 487 H GLY 63 H GLY 63 11.635 -0.180 -6.412 488 1HA GLY 63 2HA GLY 63 14.046 1.143 -7.236 489 2HA GLY 63 1HA GLY 63 14.154 0.497 -5.610 490 H SER 64 H SER 64 13.656 -1.855 -5.273 491 HA SER 64 HA SER 64 14.579 -3.313 -7.600 492 1HB SER 64 1HB SER 64 15.150 -5.105 -6.011 493 2HB SER 64 2HB SER 64 15.856 -3.584 -5.499 494 HG SER 64 HG SER 64 13.308 -4.511 -4.499 495 H TYR 65 H TYR 65 12.576 -3.445 -8.781 496 HA TYR 65 HA TYR 65 10.642 -5.270 -7.533 497 1HB TYR 65 1HB TYR 65 9.480 -3.183 -7.506 498 2HB TYR 65 2HB TYR 65 10.409 -2.547 -8.850 499 HD1 TYR 65 HD1 TYR 65 9.209 -2.147 -10.786 500 HD2 TYR 65 HD2 TYR 65 8.013 -5.391 -8.266 501 HE1 TYR 65 HE1 TYR 65 7.278 -2.665 -12.357 502 HE2 TYR 65 HE2 TYR 65 6.087 -5.898 -9.844 503 HH TYR 65 HH TYR 65 5.580 -5.547 -12.233 504 H VAL 66 H VAL 66 11.949 -3.796 -10.567 505 HA VAL 66 HA VAL 66 10.894 -6.049 -12.072 506 HB VAL 66 HB VAL 66 10.656 -3.689 -12.836 507 1HG1 VAL 66 1HG1 VAL 66 12.425 -2.334 -12.677 508 2HG1 VAL 66 2HG1 VAL 66 13.126 -3.199 -14.064 509 3HG1 VAL 66 3HG1 VAL 66 13.530 -3.701 -12.405 510 1HG2 VAL 66 1HG2 VAL 66 11.869 -5.892 -14.431 511 2HG2 VAL 66 2HG2 VAL 66 11.824 -4.283 -15.188 512 3HG2 VAL 66 3HG2 VAL 66 10.315 -5.047 -14.632 513 H THR 67 H THR 67 12.856 -6.670 -10.063 514 HA THR 67 HA THR 67 14.792 -7.949 -11.767 515 HB THR 67 HB THR 67 15.947 -5.828 -11.501 516 HG1 THR 67 HG1 THR 67 17.723 -6.687 -10.209 517 1HG2 THR 67 1HG2 THR 67 15.852 -6.064 -8.483 518 2HG2 THR 67 2HG2 THR 67 14.491 -5.277 -9.317 519 3HG2 THR 67 3HG2 THR 67 16.136 -4.620 -9.486 520 H HIS 68 H HIS 68 14.152 -7.063 -8.303 521 HA HIS 68 HA HIS 68 14.695 -9.848 -7.655 522 1HB HIS 68 1HB HIS 68 15.897 -8.066 -6.429 523 2HB HIS 68 2HB HIS 68 14.367 -7.433 -5.852 524 HD1 HIS 68 HD1 HIS 68 16.422 -10.657 -5.642 525 HD2 HIS 68 HD2 HIS 68 13.491 -8.552 -3.503 526 HE1 HIS 68 HE1 HIS 68 16.117 -11.900 -3.435 527 H GLU 69 H GLU 69 12.134 -7.392 -7.804 528 HA GLU 69 HA GLU 69 10.010 -7.434 -7.287 529 1HB GLU 69 1HB GLU 69 8.745 -9.407 -8.184 530 2HB GLU 69 2HB GLU 69 9.931 -8.778 -9.310 531 1HG GLU 69 1HG GLU 69 11.522 -10.555 -8.730 532 2HG GLU 69 2HG GLU 69 10.489 -11.120 -7.431 533 HE2 GLU 69 HE GLU 69 8.645 -11.411 -10.922 534 H THR 70 H THR 70 8.145 -9.258 -6.319 535 HA THR 70 HA THR 70 9.287 -10.579 -4.005 536 HB THR 70 HB THR 70 8.096 -9.215 -2.391 537 HG1 THR 70 HG1 THR 70 6.180 -8.536 -3.288 538 1HG2 THR 70 1HG2 THR 70 8.891 -6.914 -2.802 539 2HG2 THR 70 2HG2 THR 70 9.125 -7.277 -4.529 540 3HG2 THR 70 3HG2 THR 70 10.157 -8.059 -3.309 541 H ARG 71 H ARG 71 6.498 -10.454 -2.769 542 HA ARG 71 HA ARG 71 5.447 -12.521 -4.514 543 1HB ARG 71 1HB ARG 71 4.954 -11.940 -1.549 544 2HB ARG 71 2HB ARG 71 4.140 -13.212 -2.438 545 1HG ARG 71 1HG ARG 71 7.103 -13.231 -2.723 546 2HG ARG 71 2HG ARG 71 6.538 -13.516 -1.090 547 1HD ARG 71 1HD ARG 71 6.498 -15.698 -1.920 548 2HD ARG 71 2HD ARG 71 4.853 -15.209 -2.274 549 HE ARG 71 HE ARG 71 6.719 -14.573 -4.438 550 1HH1 ARG 71 2HH2 ARG 71 4.640 -17.099 -3.077 551 2HH1 ARG 71 1HH2 ARG 71 4.480 -17.949 -4.578 552 1HH2 ARG 71 1HH ARG 71 5.586 -17.103 -6.529 553 H HIS 72 H HIS 72 4.189 -10.047 -2.141 554 HA HIS 72 HA HIS 72 2.148 -9.390 -4.133 555 1HB HIS 72 1HB HIS 72 1.805 -10.072 -1.224 556 2HB HIS 72 2HB HIS 72 0.692 -8.960 -1.997 557 HD1 HIS 72 HD1 HIS 72 -1.392 -10.340 -2.270 558 HD2 HIS 72 HD2 HIS 72 2.046 -12.358 -3.578 559 HE1 HIS 72 HE1 HIS 72 -2.201 -12.509 -3.342 560 H PHE 73 H PHE 73 2.278 -7.286 -4.716 561 HA PHE 73 HA PHE 73 3.068 -5.370 -2.663 562 1HB PHE 73 1HB PHE 73 4.432 -4.333 -4.707 563 2HB PHE 73 2HB PHE 73 5.150 -5.654 -3.806 564 HD1 PHE 73 HD1 PHE 73 4.017 -4.540 -7.010 565 HD2 PHE 73 HD2 PHE 73 4.908 -8.012 -4.737 566 HE1 PHE 73 HE1 PHE 73 4.223 -5.874 -9.126 567 HE2 PHE 73 HE2 PHE 73 5.114 -9.345 -6.854 568 HZ PHE 73 HZ PHE 73 4.768 -8.261 -9.023 569 H ILE 74 H ILE 74 2.556 -3.084 -3.315 570 HA ILE 74 HA ILE 74 0.885 -2.692 -5.588 571 HB ILE 74 HB ILE 74 -0.955 -3.504 -4.596 572 1HG1 ILE 74 1HG1 ILE 74 -0.821 -0.809 -3.213 573 2HG1 ILE 74 2HG1 ILE 74 -1.310 -1.069 -4.875 574 1HG2 ILE 74 1HG2 ILE 74 -0.026 -4.511 -2.687 575 2HG2 ILE 74 2HG2 ILE 74 -1.316 -3.449 -2.072 576 3HG2 ILE 74 3HG2 ILE 74 0.388 -2.944 -1.951 577 1HD1 ILE 74 1HD1 ILE 74 -3.421 -1.449 -4.155 578 2HD1 ILE 74 2HD1 ILE 74 -2.889 -1.342 -2.461 579 3HD1 ILE 74 3HD1 ILE 74 -2.839 -2.905 -3.312 580 H TYR 75 H TYR 75 1.460 -0.712 -6.288 581 HA TYR 75 HA TYR 75 2.304 1.219 -4.235 582 1HB TYR 75 1HB TYR 75 4.157 0.602 -5.699 583 2HB TYR 75 2HB TYR 75 3.114 0.521 -7.105 584 HD1 TYR 75 HD1 TYR 75 3.038 2.318 -8.598 585 HD2 TYR 75 HD2 TYR 75 4.457 2.977 -4.616 586 HE1 TYR 75 HE1 TYR 75 3.701 4.693 -9.219 587 HE2 TYR 75 HE2 TYR 75 5.114 5.349 -5.250 588 HH TYR 75 HH TYR 75 5.391 6.364 -8.387 589 H PHE 76 H PHE 76 0.825 2.801 -3.914 590 HA PHE 76 HA PHE 76 -0.440 3.926 -6.287 591 1HB PHE 76 1HB PHE 76 -2.587 3.978 -4.818 592 2HB PHE 76 2HB PHE 76 -2.120 2.395 -5.408 593 HD1 PHE 76 HD1 PHE 76 -0.493 1.067 -3.770 594 HD2 PHE 76 HD2 PHE 76 -3.115 4.184 -2.583 595 HE1 PHE 76 HE1 PHE 76 -0.461 0.197 -1.416 596 HE2 PHE 76 HE2 PHE 76 -3.084 3.314 -0.228 597 HZ PHE 76 HZ PHE 76 -1.757 1.331 0.327 598 H TYR 77 H TYR 77 -1.909 5.934 -5.348 599 HA TYR 77 HA TYR 77 -0.043 7.413 -3.622 600 1HB TYR 77 1HB TYR 77 -0.768 7.927 -6.191 601 2HB TYR 77 2HB TYR 77 -2.211 8.573 -5.435 602 HD1 TYR 77 HD1 TYR 77 1.482 8.769 -4.731 603 HD2 TYR 77 HD2 TYR 77 -2.200 10.879 -5.278 604 HE1 TYR 77 HE1 TYR 77 2.677 10.976 -4.323 605 HE2 TYR 77 HE2 TYR 77 -0.993 13.078 -4.868 606 HH TYR 77 HH TYR 77 1.842 13.333 -3.413 607 H LEU 78 H LEU 78 -0.774 7.590 -1.563 608 HA LEU 78 HA LEU 78 -3.640 7.494 -1.111 609 1HB LEU 78 1HB LEU 78 -1.186 7.157 0.562 610 2HB LEU 78 2HB LEU 78 -2.687 7.616 1.341 611 HG LEU 78 HG LEU 78 -2.433 5.183 -0.441 612 1HD1 LEU 78 1HD1 LEU 78 -0.949 5.315 1.726 613 2HD1 LEU 78 2HD1 LEU 78 -1.852 3.834 1.323 614 3HD1 LEU 78 3HD1 LEU 78 -2.488 4.963 2.545 615 1HD2 LEU 78 1HD2 LEU 78 -4.472 5.530 1.727 616 2HD2 LEU 78 2HD2 LEU 78 -4.548 4.578 0.225 617 3HD2 LEU 78 3HD2 LEU 78 -4.702 6.350 0.165 618 H GLY 79 H GLY 79 -4.829 9.316 -1.058 619 1HA GLY 79 2HA GLY 79 -5.417 11.457 -0.705 620 2HA GLY 79 1HA GLY 79 -4.102 11.580 0.446 621 H GLN 80 H GLN 80 -1.924 12.161 -0.318 622 HA GLN 80 HA GLN 80 -1.791 13.067 -3.046 623 1HB GLN 80 1HB GLN 80 -1.095 15.348 -2.447 624 2HB GLN 80 2HB GLN 80 -2.703 15.025 -1.828 625 1HG GLN 80 1HG GLN 80 -1.424 14.271 0.368 626 2HG GLN 80 2HG GLN 80 -0.088 15.188 -0.300 627 1HE2 GLN 80 2HE2 GLN 80 0.034 17.040 0.710 628 2HE2 GLN 80 1HE2 GLN 80 -1.264 18.139 1.044 629 H VAL 81 H VAL 81 -0.571 10.922 -1.382 630 HA VAL 81 HA VAL 81 2.206 11.685 -1.848 631 HB VAL 81 HB VAL 81 1.635 12.069 0.548 632 1HG1 VAL 81 1HG1 VAL 81 1.689 9.494 1.624 633 2HG1 VAL 81 2HG1 VAL 81 0.542 9.380 0.268 634 3HG1 VAL 81 3HG1 VAL 81 0.287 10.590 1.550 635 1HG2 VAL 81 1HG2 VAL 81 3.913 11.175 -0.501 636 2HG2 VAL 81 2HG2 VAL 81 3.545 9.767 0.523 637 3HG2 VAL 81 3HG2 VAL 81 3.705 11.383 1.254 638 H ALA 82 H ALA 82 3.639 9.696 -1.924 639 HA ALA 82 HA ALA 82 2.149 7.598 -3.282 640 1HB ALA 82 1HB ALA 82 5.142 8.104 -3.043 641 2HB ALA 82 2HB ALA 82 4.108 8.687 -4.369 642 3HB ALA 82 3HB ALA 82 4.348 6.940 -4.131 643 H ILE 83 H ILE 83 2.490 5.327 -2.762 644 HA ILE 83 HA ILE 83 3.830 4.736 -0.280 645 HB ILE 83 HB ILE 83 1.481 5.586 0.261 646 1HG1 ILE 83 1HG1 ILE 83 2.025 2.801 1.281 647 2HG1 ILE 83 2HG1 ILE 83 3.099 4.130 1.671 648 1HG2 ILE 83 1HG2 ILE 83 0.336 4.391 -1.577 649 2HG2 ILE 83 2HG2 ILE 83 -0.351 4.028 0.025 650 3HG2 ILE 83 3HG2 ILE 83 0.709 2.846 -0.777 651 1HD1 ILE 83 1HD1 ILE 83 1.549 4.134 3.461 652 2HD1 ILE 83 2HD1 ILE 83 0.169 3.803 2.386 653 3HD1 ILE 83 3HD1 ILE 83 0.932 5.411 2.386 654 H LEU 84 H LEU 84 4.921 2.878 -0.616 655 HA LEU 84 HA LEU 84 3.777 1.033 -2.596 656 1HB LEU 84 1HB LEU 84 5.634 1.210 -3.752 657 2HB LEU 84 2HB LEU 84 6.251 2.391 -2.614 658 HG LEU 84 HG LEU 84 7.781 0.473 -3.047 659 1HD1 LEU 84 1HD1 LEU 84 8.658 1.009 -1.086 660 2HD1 LEU 84 2HD1 LEU 84 7.475 -0.024 -0.250 661 3HD1 LEU 84 3HD1 LEU 84 7.094 1.684 -0.572 662 1HD2 LEU 84 1HD2 LEU 84 5.520 -1.091 -2.807 663 2HD2 LEU 84 2HD2 LEU 84 6.384 -1.393 -1.280 664 3HD2 LEU 84 3HD2 LEU 84 7.202 -1.671 -2.836 665 H LEU 85 H LEU 85 3.180 -0.911 -1.805 666 HA LEU 85 HA LEU 85 4.476 -1.762 0.690 667 1HB LEU 85 1HB LEU 85 2.222 -0.961 1.125 668 2HB LEU 85 2HB LEU 85 1.574 -2.030 -0.102 669 HG LEU 85 HG LEU 85 3.138 -3.303 2.093 670 1HD1 LEU 85 1HD1 LEU 85 0.814 -3.330 3.356 671 2HD1 LEU 85 2HD1 LEU 85 0.609 -1.771 2.521 672 3HD1 LEU 85 3HD1 LEU 85 1.998 -2.026 3.606 673 1HD2 LEU 85 1HD2 LEU 85 2.316 -4.845 0.567 674 2HD2 LEU 85 2HD2 LEU 85 0.767 -3.989 0.373 675 3HD2 LEU 85 3HD2 LEU 85 1.104 -4.893 1.870 676 H PHE 86 H PHE 86 5.423 -3.746 0.633 677 HA PHE 86 HA PHE 86 4.504 -5.638 -1.368 678 1HB PHE 86 1HB PHE 86 6.750 -5.848 -2.310 679 2HB PHE 86 2HB PHE 86 6.410 -4.129 -2.271 680 HD1 PHE 86 HD1 PHE 86 7.907 -2.682 -1.234 681 HD2 PHE 86 HD2 PHE 86 8.052 -6.813 -0.277 682 HE1 PHE 86 HE1 PHE 86 9.998 -2.300 0.101 683 HE2 PHE 86 HE2 PHE 86 10.142 -6.431 1.059 684 HZ PHE 86 HZ PHE 86 11.090 -4.179 1.232 685 H LYS 87 H LYS 87 5.030 -7.837 -0.860 686 HA LYS 87 HA LYS 87 5.912 -8.145 1.917 687 1HB LYS 87 1HB LYS 87 3.588 -8.961 0.840 688 2HB LYS 87 2HB LYS 87 4.563 -10.363 0.452 689 1HG LYS 87 1HG LYS 87 4.572 -9.169 3.251 690 2HG LYS 87 2HG LYS 87 3.339 -10.315 2.760 691 1HD LYS 87 1HD LYS 87 6.286 -10.949 2.363 692 2HD LYS 87 2HD LYS 87 5.516 -11.223 3.914 693 1HE LYS 87 1HE LYS 87 4.867 -13.242 3.089 694 2HE LYS 87 2HE LYS 87 3.692 -12.364 2.132 695 1HZ LYS 87 1HZ LYS 87 5.224 -13.838 0.825 696 H SER 88 H SER 88 7.909 -8.938 2.284 697 HA SER 88 HA SER 88 8.956 -10.830 0.377 698 1HB SER 88 1HB SER 88 10.724 -9.582 -0.358 699 2HB SER 88 2HB SER 88 9.700 -8.226 0.068 700 HG SER 88 HG SER 88 11.992 -8.281 0.945 701 H GLY 89 H GLY 89 9.424 -12.570 1.671 702 1HA GLY 89 2HA GLY 89 11.188 -13.250 3.291 703 2HA GLY 89 1HA GLY 89 10.549 -12.008 4.350 Start of MODEL 8 1 1H MET 1 H MET 1 -10.178 17.759 -11.681 2 HA MET 1 HA MET 1 -12.141 18.544 -12.761 3 1HB MET 1 1HB MET 1 -10.324 18.114 -15.124 4 2HB MET 1 2HB MET 1 -12.015 17.732 -15.390 5 1HG MET 1 1HG MET 1 -12.707 19.987 -14.760 6 2HG MET 1 2HG MET 1 -11.100 20.384 -14.187 7 1HE MET 1 1HE MET 1 -10.849 22.694 -16.325 8 2HE MET 1 2HE MET 1 -9.933 21.755 -15.121 9 3HE MET 1 3HE MET 1 -9.358 21.848 -16.802 10 H SER 2 H SER 2 -10.215 15.731 -14.017 11 HA SER 2 HA SER 2 -12.571 14.095 -13.549 12 1HB SER 2 1HB SER 2 -10.339 14.043 -15.494 13 2HB SER 2 2HB SER 2 -10.687 12.469 -14.805 14 HG SER 2 HG SER 2 -12.175 13.990 -16.609 15 H ASP 3 H ASP 3 -12.380 13.818 -11.259 16 HA ASP 3 HA ASP 3 -10.003 12.310 -10.497 17 1HB ASP 3 1HB ASP 3 -10.122 13.305 -8.282 18 2HB ASP 3 2HB ASP 3 -10.129 14.602 -9.461 19 HD2 ASP 3 HD ASP 3 -11.912 15.079 -6.705 20 H ARG 4 H ARG 4 -10.501 10.826 -8.514 21 HA ARG 4 HA ARG 4 -13.307 10.164 -8.352 22 1HB ARG 4 1HB ARG 4 -11.081 8.270 -9.205 23 2HB ARG 4 2HB ARG 4 -12.540 7.653 -8.459 24 1HG ARG 4 1HG ARG 4 -13.871 8.166 -10.289 25 2HG ARG 4 2HG ARG 4 -12.954 9.603 -10.695 26 1HD ARG 4 1HD ARG 4 -11.210 8.319 -11.762 27 2HD ARG 4 2HD ARG 4 -11.777 6.816 -11.062 28 HE ARG 4 HE ARG 4 -13.763 8.164 -12.758 29 1HH1 ARG 4 2HH2 ARG 4 -11.103 5.825 -12.680 30 2HH1 ARG 4 1HH2 ARG 4 -11.599 5.027 -14.135 31 1HH2 ARG 4 1HH ARG 4 -13.550 5.799 -15.293 32 H LYS 5 H LYS 5 -10.048 8.876 -7.331 33 HA LYS 5 HA LYS 5 -10.300 9.707 -4.681 34 1HB LYS 5 1HB LYS 5 -10.843 7.679 -3.517 35 2HB LYS 5 2HB LYS 5 -12.141 8.046 -4.635 36 1HG LYS 5 1HG LYS 5 -10.022 6.363 -5.840 37 2HG LYS 5 2HG LYS 5 -10.789 5.608 -4.458 38 1HD LYS 5 1HD LYS 5 -12.899 5.538 -5.481 39 2HD LYS 5 2HD LYS 5 -12.575 6.928 -6.498 40 1HE LYS 5 1HE LYS 5 -11.572 5.664 -8.148 41 2HE LYS 5 2HE LYS 5 -10.795 4.588 -7.005 42 1HZ LYS 5 1HZ LYS 5 -12.758 3.323 -6.793 43 H ALA 6 H ALA 6 -8.784 7.701 -3.389 44 HA ALA 6 HA ALA 6 -6.244 8.331 -4.094 45 1HB ALA 6 1HB ALA 6 -7.577 6.132 -2.582 46 2HB ALA 6 2HB ALA 6 -6.321 7.281 -2.063 47 3HB ALA 6 3HB ALA 6 -5.879 5.862 -3.042 48 H VAL 7 H VAL 7 -5.458 8.253 -6.162 49 HA VAL 7 HA VAL 7 -6.238 6.274 -8.008 50 HB VAL 7 HB VAL 7 -3.835 8.112 -8.014 51 1HG1 VAL 7 1HG1 VAL 7 -3.626 6.358 -9.681 52 2HG1 VAL 7 2HG1 VAL 7 -4.007 7.901 -10.483 53 3HG1 VAL 7 3HG1 VAL 7 -5.278 6.674 -10.266 54 1HG2 VAL 7 1HG2 VAL 7 -6.617 8.742 -8.068 55 2HG2 VAL 7 2HG2 VAL 7 -5.958 9.034 -9.696 56 3HG2 VAL 7 3HG2 VAL 7 -5.226 9.831 -8.282 57 H ILE 8 H ILE 8 -4.660 4.742 -9.100 58 HA ILE 8 HA ILE 8 -2.669 3.741 -7.204 59 HB ILE 8 HB ILE 8 -5.044 2.306 -8.299 60 1HG1 ILE 8 1HG1 ILE 8 -4.682 1.185 -5.966 61 2HG1 ILE 8 2HG1 ILE 8 -3.627 2.551 -5.655 62 1HG2 ILE 8 1HG2 ILE 8 -3.679 0.166 -7.599 63 2HG2 ILE 8 2HG2 ILE 8 -2.284 1.173 -8.055 64 3HG2 ILE 8 3HG2 ILE 8 -3.562 0.832 -9.244 65 1HD1 ILE 8 1HD1 ILE 8 -6.509 2.465 -5.594 66 2HD1 ILE 8 2HD1 ILE 8 -6.005 3.603 -6.867 67 3HD1 ILE 8 3HD1 ILE 8 -5.436 3.827 -5.195 68 H LYS 9 H LYS 9 -0.749 3.177 -8.155 69 HA LYS 9 HA LYS 9 -0.600 3.641 -11.016 70 1HB LYS 9 1HB LYS 9 1.390 3.519 -8.762 71 2HB LYS 9 2HB LYS 9 1.932 3.342 -10.419 72 1HG LYS 9 1HG LYS 9 1.083 5.513 -11.042 73 2HG LYS 9 2HG LYS 9 0.129 5.648 -9.577 74 1HD LYS 9 1HD LYS 9 2.866 5.214 -8.786 75 2HD LYS 9 2HD LYS 9 2.869 6.461 -10.018 76 1HE LYS 9 1HE LYS 9 0.702 6.778 -8.007 77 2HE LYS 9 2HE LYS 9 2.313 6.874 -7.326 78 1HZ LYS 9 1HZ LYS 9 2.479 8.391 -9.595 79 H ASN 10 H ASN 10 0.609 1.145 -8.660 80 HA ASN 10 HA ASN 10 -0.162 -0.849 -10.594 81 1HB ASN 10 1HB ASN 10 2.550 -0.004 -10.301 82 2HB ASN 10 2HB ASN 10 2.452 -1.530 -9.448 83 1HD2 ASN 10 2HD2 ASN 10 3.272 -3.011 -10.725 84 2HD2 ASN 10 1HD2 ASN 10 2.855 -3.311 -12.378 85 H ALA 11 H ALA 11 -0.902 -2.732 -9.505 86 HA ALA 11 HA ALA 11 -0.043 -3.231 -6.798 87 1HB ALA 11 1HB ALA 11 -2.357 -1.664 -7.267 88 2HB ALA 11 2HB ALA 11 -1.839 -2.401 -5.733 89 3HB ALA 11 3HB ALA 11 -2.940 -3.284 -6.818 90 H ASP 12 H ASP 12 -2.348 -3.988 -9.486 91 HA ASP 12 HA ASP 12 -2.864 -5.858 -10.456 92 1HB ASP 12 1HB ASP 12 -0.171 -6.260 -9.697 93 2HB ASP 12 2HB ASP 12 -0.985 -7.717 -9.163 94 HD2 ASP 12 HD ASP 12 -0.203 -7.228 -12.990 95 H MET 13 H MET 13 -2.764 -8.618 -9.501 96 HA MET 13 HA MET 13 -3.619 -10.029 -8.060 97 1HB MET 13 1HB MET 13 -2.768 -7.976 -6.355 98 2HB MET 13 2HB MET 13 -4.472 -8.084 -5.960 99 1HG MET 13 1HG MET 13 -4.279 -10.452 -5.404 100 2HG MET 13 2HG MET 13 -2.656 -10.537 -6.059 101 1HE MET 13 1HE MET 13 -3.786 -11.063 -2.627 102 2HE MET 13 2HE MET 13 -2.666 -11.789 -3.804 103 3HE MET 13 3HE MET 13 -2.032 -11.023 -2.328 104 H SER 14 H SER 14 -5.866 -10.008 -6.402 105 HA SER 14 HA SER 14 -7.875 -9.384 -8.362 106 1HB SER 14 1HB SER 14 -8.157 -11.552 -7.470 107 2HB SER 14 2HB SER 14 -7.772 -11.045 -5.836 108 HG SER 14 HG SER 14 -10.140 -10.157 -7.245 109 H GLU 15 H GLU 15 -9.654 -7.952 -7.995 110 HA GLU 15 HA GLU 15 -9.152 -5.672 -6.661 111 1HB GLU 15 1HB GLU 15 -11.188 -6.610 -8.240 112 2HB GLU 15 2HB GLU 15 -12.023 -6.483 -6.706 113 1HG GLU 15 1HG GLU 15 -12.323 -4.298 -7.354 114 2HG GLU 15 2HG GLU 15 -10.721 -4.091 -6.674 115 HE2 GLU 15 HE GLU 15 -11.426 -2.447 -8.511 116 H GLU 16 H GLU 16 -10.122 -8.759 -5.327 117 HA GLU 16 HA GLU 16 -11.415 -7.903 -3.048 118 1HB GLU 16 1HB GLU 16 -10.836 -10.140 -2.137 119 2HB GLU 16 2HB GLU 16 -11.421 -10.243 -3.786 120 1HG GLU 16 1HG GLU 16 -8.895 -10.111 -4.477 121 2HG GLU 16 2HG GLU 16 -8.556 -10.482 -2.798 122 HE2 GLU 16 HE GLU 16 -9.655 -13.499 -2.637 123 H MET 17 H MET 17 -7.908 -8.681 -3.599 124 HA MET 17 HA MET 17 -7.256 -7.786 -0.977 125 1HB MET 17 1HB MET 17 -5.479 -8.429 -3.396 126 2HB MET 17 2HB MET 17 -4.912 -8.276 -1.746 127 1HG MET 17 1HG MET 17 -5.320 -10.493 -1.471 128 2HG MET 17 2HG MET 17 -7.033 -10.142 -1.580 129 1HE MET 17 1HE MET 17 -6.698 -13.139 -2.968 130 2HE MET 17 2HE MET 17 -5.156 -13.073 -3.855 131 3HE MET 17 3HE MET 17 -5.234 -12.525 -2.164 132 H GLN 18 H GLN 18 -6.995 -6.535 -4.344 133 HA GLN 18 HA GLN 18 -5.419 -4.346 -3.740 134 1HB GLN 18 1HB GLN 18 -5.664 -4.974 -6.033 135 2HB GLN 18 2HB GLN 18 -7.414 -4.935 -5.951 136 1HG GLN 18 1HG GLN 18 -6.471 -2.939 -7.133 137 2HG GLN 18 2HG GLN 18 -7.417 -2.493 -5.727 138 1HE2 GLN 18 2HE2 GLN 18 -4.856 -1.592 -7.335 139 2HE2 GLN 18 1HE2 GLN 18 -3.773 -1.057 -6.094 140 H GLN 19 H GLN 19 -8.999 -4.806 -3.746 141 HA GLN 19 HA GLN 19 -9.527 -2.103 -3.198 142 1HB GLN 19 1HB GLN 19 -11.098 -3.893 -4.205 143 2HB GLN 19 2HB GLN 19 -11.354 -4.450 -2.564 144 1HG GLN 19 1HG GLN 19 -12.093 -1.773 -3.783 145 2HG GLN 19 2HG GLN 19 -13.129 -2.907 -2.938 146 1HE2 GLN 19 2HE2 GLN 19 -12.692 -3.293 -0.646 147 2HE2 GLN 19 1HE2 GLN 19 -12.148 -1.986 0.352 148 H ASP 20 H ASP 20 -9.654 -5.104 -1.140 149 HA ASP 20 HA ASP 20 -10.317 -3.945 1.197 150 1HB ASP 20 1HB ASP 20 -9.872 -6.426 0.627 151 2HB ASP 20 2HB ASP 20 -8.178 -6.103 0.945 152 HD2 ASP 20 HD ASP 20 -9.432 -7.961 2.711 153 H ALA 21 H ALA 21 -7.052 -4.311 -0.332 154 HA ALA 21 HA ALA 21 -5.595 -3.231 1.817 155 1HB ALA 21 1HB ALA 21 -3.781 -3.097 0.156 156 2HB ALA 21 2HB ALA 21 -4.953 -3.357 -1.159 157 3HB ALA 21 3HB ALA 21 -4.643 -4.650 0.024 158 H VAL 22 H VAL 22 -6.158 -1.729 -1.447 159 HA VAL 22 HA VAL 22 -5.418 0.785 -0.883 160 HB VAL 22 HB VAL 22 -6.480 -0.419 -2.987 161 1HG1 VAL 22 1HG1 VAL 22 -8.752 -0.567 -2.193 162 2HG1 VAL 22 2HG1 VAL 22 -8.698 0.611 -3.528 163 3HG1 VAL 22 3HG1 VAL 22 -8.795 1.178 -1.843 164 1HG2 VAL 22 1HG2 VAL 22 -5.926 2.370 -2.275 165 2HG2 VAL 22 2HG2 VAL 22 -7.077 2.207 -3.625 166 3HG2 VAL 22 3HG2 VAL 22 -5.472 1.443 -3.726 167 H ASP 23 H ASP 23 -8.304 -0.907 0.292 168 HA ASP 23 HA ASP 23 -9.750 1.336 1.034 169 1HB ASP 23 1HB ASP 23 -10.433 -1.177 0.952 170 2HB ASP 23 2HB ASP 23 -9.715 -1.309 2.546 171 HD2 ASP 23 HD ASP 23 -12.665 1.103 1.682 172 H CYS 24 H CYS 24 -7.795 -0.983 3.075 173 HA CYS 24 HA CYS 24 -7.858 0.513 5.384 174 1HB CYS 24 1HB CYS 24 -5.785 -1.469 4.396 175 2HB CYS 24 2HB CYS 24 -5.798 -0.804 6.015 176 HG CYS 24 HG CYS 24 -6.863 -3.046 6.372 177 H ALA 25 H ALA 25 -5.936 0.789 2.409 178 HA ALA 25 HA ALA 25 -3.870 2.391 3.453 179 1HB ALA 25 1HB ALA 25 -3.189 2.570 1.229 180 2HB ALA 25 2HB ALA 25 -4.859 2.577 0.610 181 3HB ALA 25 3HB ALA 25 -4.133 1.061 1.197 182 H THR 26 H THR 26 -6.487 3.445 1.166 183 HA THR 26 HA THR 26 -6.239 6.133 1.639 184 HB THR 26 HB THR 26 -8.623 4.376 0.871 185 HG1 THR 26 HG1 THR 26 -6.687 6.147 -0.451 186 1HG2 THR 26 1HG2 THR 26 -9.896 6.252 0.400 187 2HG2 THR 26 2HG2 THR 26 -8.469 7.233 -0.003 188 3HG2 THR 26 3HG2 THR 26 -8.927 6.988 1.698 189 H GLN 27 H GLN 27 -8.398 3.798 3.371 190 HA GLN 27 HA GLN 27 -9.597 5.642 4.985 191 1HB GLN 27 1HB GLN 27 -8.867 2.729 5.499 192 2HB GLN 27 2HB GLN 27 -9.882 3.658 6.584 193 1HG GLN 27 1HG GLN 27 -10.855 4.041 3.885 194 2HG GLN 27 2HG GLN 27 -10.643 2.322 4.154 195 1HE2 GLN 27 2HE2 GLN 27 -12.500 5.097 4.788 196 2HE2 GLN 27 1HE2 GLN 27 -13.666 4.423 5.875 197 H ALA 28 H ALA 28 -6.539 3.774 5.533 198 HA ALA 28 HA ALA 28 -5.976 4.622 8.074 199 1HB ALA 28 1HB ALA 28 -3.513 4.392 7.145 200 2HB ALA 28 2HB ALA 28 -4.340 3.803 5.681 201 3HB ALA 28 3HB ALA 28 -4.573 2.965 7.234 202 H LEU 29 H LEU 29 -5.049 6.196 4.934 203 HA LEU 29 HA LEU 29 -3.842 8.406 6.191 204 1HB LEU 29 1HB LEU 29 -3.418 7.560 3.881 205 2HB LEU 29 2HB LEU 29 -4.978 8.197 3.401 206 HG LEU 29 HG LEU 29 -3.427 10.261 4.710 207 1HD1 LEU 29 1HD1 LEU 29 -1.904 10.204 2.424 208 2HD1 LEU 29 2HD1 LEU 29 -1.945 8.490 2.904 209 3HD1 LEU 29 3HD1 LEU 29 -1.361 9.721 4.050 210 1HD2 LEU 29 1HD2 LEU 29 -4.498 9.963 1.892 211 2HD2 LEU 29 2HD2 LEU 29 -3.879 11.468 2.614 212 3HD2 LEU 29 3HD2 LEU 29 -5.340 10.695 3.278 213 H GLU 30 H GLU 30 -7.157 7.470 5.621 214 HA GLU 30 HA GLU 30 -8.050 10.199 5.893 215 1HB GLU 30 1HB GLU 30 -9.049 7.950 4.545 216 2HB GLU 30 2HB GLU 30 -10.131 8.117 5.914 217 1HG GLU 30 1HG GLU 30 -10.116 10.697 5.230 218 2HG GLU 30 2HG GLU 30 -9.587 10.080 3.678 219 HE2 GLU 30 HE GLU 30 -11.872 8.815 2.493 220 H LYS 31 H LYS 31 -6.754 8.181 8.017 221 HA LYS 31 HA LYS 31 -8.654 8.937 10.112 222 1HB LYS 31 1HB LYS 31 -9.193 6.677 9.879 223 2HB LYS 31 2HB LYS 31 -7.543 6.204 9.527 224 1HG LYS 31 1HG LYS 31 -6.975 6.048 11.743 225 2HG LYS 31 2HG LYS 31 -7.846 7.506 12.174 226 1HD LYS 31 1HD LYS 31 -9.102 5.844 13.271 227 2HD LYS 31 2HD LYS 31 -10.014 6.075 11.792 228 1HE LYS 31 1HE LYS 31 -8.255 4.152 10.947 229 2HE LYS 31 2HE LYS 31 -8.339 3.743 12.649 230 1HZ LYS 31 1HZ LYS 31 -10.364 3.434 10.636 231 H TYR 32 H TYR 32 -5.327 7.872 9.196 232 HA TYR 32 HA TYR 32 -4.318 9.115 11.637 233 1HB TYR 32 1HB TYR 32 -3.310 7.291 9.388 234 2HB TYR 32 2HB TYR 32 -2.157 8.048 10.468 235 HD1 TYR 32 HD1 TYR 32 -5.051 5.714 10.351 236 HD2 TYR 32 HD2 TYR 32 -1.745 7.169 12.643 237 HE1 TYR 32 HE1 TYR 32 -5.373 3.828 12.026 238 HE2 TYR 32 HE2 TYR 32 -2.078 5.280 14.310 239 HH TYR 32 HH TYR 32 -3.297 3.599 14.902 240 H ASN 33 H ASN 33 -1.987 10.182 11.180 241 HA ASN 33 HA ASN 33 -2.328 11.915 8.865 242 1HB ASN 33 1HB ASN 33 -2.789 12.844 11.365 243 2HB ASN 33 2HB ASN 33 -1.042 12.985 11.386 244 1HD2 ASN 33 2HD2 ASN 33 -3.986 14.298 10.333 245 2HD2 ASN 33 1HD2 ASN 33 -3.394 15.608 9.367 246 H ILE 34 H ILE 34 -0.188 10.546 11.446 247 HA ILE 34 HA ILE 34 2.230 11.351 10.233 248 HB ILE 34 HB ILE 34 1.722 9.129 12.213 249 1HG1 ILE 34 1HG1 ILE 34 2.704 11.650 13.296 250 2HG1 ILE 34 2HG1 ILE 34 1.142 11.844 12.525 251 1HG2 ILE 34 1HG2 ILE 34 3.911 8.786 12.210 252 2HG2 ILE 34 2HG2 ILE 34 4.206 10.502 12.574 253 3HG2 ILE 34 3HG2 ILE 34 4.084 9.960 10.884 254 1HD1 ILE 34 1HD1 ILE 34 0.711 11.230 14.817 255 2HD1 ILE 34 2HD1 ILE 34 1.874 9.884 14.740 256 3HD1 ILE 34 3HD1 ILE 34 0.346 9.793 13.833 257 H GLU 35 H GLU 35 1.984 10.794 7.987 258 HA GLU 35 HA GLU 35 1.218 8.587 6.833 259 1HB GLU 35 1HB GLU 35 3.783 10.131 6.276 260 2HB GLU 35 2HB GLU 35 3.180 8.891 5.194 261 1HG GLU 35 1HG GLU 35 1.915 10.513 4.227 262 2HG GLU 35 2HG GLU 35 0.907 10.454 5.659 263 HE2 GLU 35 HE GLU 35 1.763 13.673 4.849 264 H LYS 36 H LYS 36 4.344 8.927 8.605 265 HA LYS 36 HA LYS 36 5.487 6.524 7.969 266 1HB LYS 36 1HB LYS 36 5.909 8.624 9.820 267 2HB LYS 36 2HB LYS 36 5.921 7.144 10.756 268 1HG LYS 36 1HG LYS 36 7.404 6.378 8.552 269 2HG LYS 36 2HG LYS 36 7.825 8.076 8.661 270 1HD LYS 36 1HD LYS 36 7.990 7.315 11.317 271 2HD LYS 36 2HD LYS 36 8.484 5.839 10.514 272 1HE LYS 36 1HE LYS 36 10.266 6.998 9.308 273 2HE LYS 36 2HE LYS 36 9.684 8.564 9.839 274 1HZ LYS 36 1HZ LYS 36 10.351 8.097 12.055 275 H ASP 37 H ASP 37 3.136 7.247 10.633 276 HA ASP 37 HA ASP 37 3.052 4.572 11.457 277 1HB ASP 37 1HB ASP 37 2.351 6.764 12.705 278 2HB ASP 37 2HB ASP 37 0.829 6.612 11.851 279 HD2 ASP 37 HD ASP 37 0.172 3.520 13.612 280 H ILE 38 H ILE 38 1.510 6.492 8.933 281 HA ILE 38 HA ILE 38 -0.836 4.966 8.625 282 HB ILE 38 HB ILE 38 0.648 6.687 6.635 283 1HG1 ILE 38 1HG1 ILE 38 -1.444 7.370 8.714 284 2HG1 ILE 38 2HG1 ILE 38 0.195 7.981 8.609 285 1HG2 ILE 38 1HG2 ILE 38 -2.294 6.001 6.649 286 2HG2 ILE 38 2HG2 ILE 38 -1.087 5.070 5.732 287 3HG2 ILE 38 3HG2 ILE 38 -1.343 6.793 5.370 288 1HD1 ILE 38 1HD1 ILE 38 -0.679 9.717 7.432 289 2HD1 ILE 38 2HD1 ILE 38 -2.221 8.862 7.178 290 3HD1 ILE 38 3HD1 ILE 38 -0.850 8.571 6.080 291 H ALA 39 H ALA 39 2.373 4.915 6.934 292 HA ALA 39 HA ALA 39 1.701 2.723 5.304 293 1HB ALA 39 1HB ALA 39 3.523 4.410 4.906 294 2HB ALA 39 2HB ALA 39 4.067 2.722 4.762 295 3HB ALA 39 3HB ALA 39 4.447 3.657 6.227 296 H ALA 40 H ALA 40 3.282 3.054 8.529 297 HA ALA 40 HA ALA 40 3.947 0.328 8.756 298 1HB ALA 40 1HB ALA 40 4.958 2.222 10.046 299 2HB ALA 40 2HB ALA 40 4.384 0.895 11.084 300 3HB ALA 40 3HB ALA 40 3.427 2.387 10.937 301 H TYR 41 H TYR 41 0.984 2.208 9.237 302 HA TYR 41 HA TYR 41 -0.310 0.251 10.853 303 1HB TYR 41 1HB TYR 41 -1.044 2.572 10.916 304 2HB TYR 41 2HB TYR 41 -1.005 2.712 9.171 305 HD1 TYR 41 HD1 TYR 41 -2.753 1.328 7.830 306 HD2 TYR 41 HD2 TYR 41 -3.068 2.124 12.023 307 HE1 TYR 41 HE1 TYR 41 -5.249 0.848 7.743 308 HE2 TYR 41 HE2 TYR 41 -5.561 1.641 11.920 309 HH TYR 41 HH TYR 41 -6.991 0.090 9.329 310 H ILE 42 H ILE 42 -0.095 0.980 7.342 311 HA ILE 42 HA ILE 42 -2.189 -0.757 6.598 312 HB ILE 42 HB ILE 42 0.160 0.309 5.027 313 1HG1 ILE 42 1HG1 ILE 42 -2.599 1.421 4.786 314 2HG1 ILE 42 2HG1 ILE 42 -1.687 1.839 6.222 315 1HG2 ILE 42 1HG2 ILE 42 -0.761 -1.606 3.894 316 2HG2 ILE 42 2HG2 ILE 42 -1.277 -0.128 3.049 317 3HG2 ILE 42 3HG2 ILE 42 -2.418 -0.991 4.108 318 1HD1 ILE 42 1HD1 ILE 42 0.021 2.033 3.862 319 2HD1 ILE 42 2HD1 ILE 42 -0.388 3.287 5.059 320 3HD1 ILE 42 3HD1 ILE 42 -1.453 3.010 3.658 321 H LYS 43 H LYS 43 1.423 -1.113 6.620 322 HA LYS 43 HA LYS 43 1.409 -3.762 5.746 323 1HB LYS 43 1HB LYS 43 3.462 -2.763 5.526 324 2HB LYS 43 2HB LYS 43 3.358 -1.923 7.060 325 1HG LYS 43 1HG LYS 43 3.380 -4.892 7.293 326 2HG LYS 43 2HG LYS 43 4.846 -4.216 6.612 327 1HD LYS 43 1HD LYS 43 3.601 -3.118 9.168 328 2HD LYS 43 2HD LYS 43 4.743 -4.446 9.191 329 1HE LYS 43 1HE LYS 43 6.533 -3.106 8.412 330 2HE LYS 43 2HE LYS 43 5.467 -1.920 7.686 331 1HZ LYS 43 1HZ LYS 43 4.986 -0.999 9.778 332 H LYS 44 H LYS 44 1.472 -2.339 9.079 333 HA LYS 44 HA LYS 44 1.566 -4.776 10.417 334 1HB LYS 44 1HB LYS 44 2.121 -2.818 11.610 335 2HB LYS 44 2HB LYS 44 0.628 -2.010 11.173 336 1HG LYS 44 1HG LYS 44 -0.676 -3.635 12.530 337 2HG LYS 44 2HG LYS 44 0.792 -4.508 12.925 338 1HD LYS 44 1HD LYS 44 0.888 -3.163 14.767 339 2HD LYS 44 2HD LYS 44 1.482 -1.932 13.672 340 1HE LYS 44 1HE LYS 44 -0.985 -1.303 13.235 341 2HE LYS 44 2HE LYS 44 -1.401 -2.358 14.572 342 1HZ LYS 44 1HZ LYS 44 -1.116 -0.151 15.426 343 H GLU 45 H GLU 45 -1.178 -2.834 9.137 344 HA GLU 45 HA GLU 45 -3.205 -4.213 10.339 345 1HB GLU 45 1HB GLU 45 -3.564 -2.141 9.083 346 2HB GLU 45 2HB GLU 45 -3.085 -2.912 7.584 347 1HG GLU 45 1HG GLU 45 -5.433 -3.925 9.244 348 2HG GLU 45 2HG GLU 45 -5.625 -2.682 8.023 349 HE2 GLU 45 HE GLU 45 -5.953 -5.774 8.434 350 H PHE 46 H PHE 46 -1.632 -4.842 7.124 351 HA PHE 46 HA PHE 46 -3.158 -7.195 6.690 352 1HB PHE 46 1HB PHE 46 -0.963 -5.568 5.470 353 2HB PHE 46 2HB PHE 46 -0.810 -7.281 5.125 354 HD1 PHE 46 HD1 PHE 46 -1.567 -4.701 3.382 355 HD2 PHE 46 HD2 PHE 46 -3.717 -8.006 4.950 356 HE1 PHE 46 HE1 PHE 46 -3.253 -4.480 1.536 357 HE2 PHE 46 HE2 PHE 46 -5.404 -7.785 3.104 358 HZ PHE 46 HZ PHE 46 -5.151 -6.024 1.420 359 H ASP 47 H ASP 47 0.428 -6.748 7.142 360 HA ASP 47 HA ASP 47 1.232 -9.216 7.372 361 1HB ASP 47 1HB ASP 47 3.093 -8.347 8.405 362 2HB ASP 47 2HB ASP 47 2.307 -6.819 8.057 363 HD2 ASP 47 HD ASP 47 3.664 -6.869 11.208 364 H LYS 48 H LYS 48 -0.808 -7.455 9.717 365 HA LYS 48 HA LYS 48 -0.615 -8.758 12.019 366 1HB LYS 48 1HB LYS 48 -2.232 -6.989 11.583 367 2HB LYS 48 2HB LYS 48 -3.182 -8.054 10.566 368 1HG LYS 48 1HG LYS 48 -4.339 -8.605 12.443 369 2HG LYS 48 2HG LYS 48 -2.935 -9.541 12.916 370 1HD LYS 48 1HD LYS 48 -2.577 -6.686 13.529 371 2HD LYS 48 2HD LYS 48 -4.022 -7.325 14.289 372 1HE LYS 48 1HE LYS 48 -1.985 -9.309 14.642 373 2HE LYS 48 2HE LYS 48 -1.238 -7.768 15.012 374 1HZ LYS 48 1HZ LYS 48 -3.446 -7.424 16.363 375 H LYS 49 H LYS 49 -3.208 -9.945 9.799 376 HA LYS 49 HA LYS 49 -2.200 -12.657 10.254 377 1HB LYS 49 1HB LYS 49 -4.780 -11.506 11.141 378 2HB LYS 49 2HB LYS 49 -4.900 -13.045 10.314 379 1HG LYS 49 1HG LYS 49 -2.896 -13.762 11.890 380 2HG LYS 49 2HG LYS 49 -3.387 -12.385 12.858 381 1HD LYS 49 1HD LYS 49 -5.735 -13.316 12.930 382 2HD LYS 49 2HD LYS 49 -5.180 -14.722 12.043 383 1HE LYS 49 1HE LYS 49 -3.434 -15.055 13.925 384 2HE LYS 49 2HE LYS 49 -4.312 -13.836 14.830 385 1HZ LYS 49 1HZ LYS 49 -6.344 -15.361 14.266 386 H TYR 50 H TYR 50 -1.321 -11.895 8.036 387 HA TYR 50 HA TYR 50 -3.283 -12.754 6.045 388 1HB TYR 50 1HB TYR 50 -2.770 -10.124 6.398 389 2HB TYR 50 2HB TYR 50 -1.264 -10.504 5.585 390 HD1 TYR 50 HD1 TYR 50 -1.404 -9.511 3.476 391 HD2 TYR 50 HD2 TYR 50 -4.728 -11.777 4.931 392 HE1 TYR 50 HE1 TYR 50 -2.563 -9.269 1.227 393 HE2 TYR 50 HE2 TYR 50 -5.877 -11.527 2.677 394 HH TYR 50 HH TYR 50 -5.739 -9.759 0.775 395 H ASN 51 H ASN 51 0.130 -11.501 6.128 396 HA ASN 51 HA ASN 51 1.251 -14.015 5.784 397 1HB ASN 51 1HB ASN 51 0.416 -12.578 3.305 398 2HB ASN 51 2HB ASN 51 2.092 -13.091 3.292 399 1HD2 ASN 51 2HD2 ASN 51 2.298 -15.390 4.434 400 2HD2 ASN 51 1HD2 ASN 51 1.285 -16.620 3.754 401 HA PRO 52 HA PRO 52 3.906 -10.422 6.793 402 1HB PRO 52 1HB PRO 52 4.736 -11.247 9.263 403 2HB PRO 52 2HB PRO 52 3.366 -10.181 9.019 404 1HG PRO 52 1HG PRO 52 3.376 -13.052 9.723 405 2HG PRO 52 2HG PRO 52 2.079 -11.886 9.887 406 1HD PRO 52 1HD PRO 52 2.322 -13.908 7.869 407 2HD PRO 52 2HD PRO 52 1.087 -12.668 7.967 408 H THR 53 H THR 53 7.214 -11.433 6.563 409 HA THR 53 HA THR 53 5.207 -9.601 7.670 410 HB THR 53 HB THR 53 7.275 -9.871 8.984 411 HG1 THR 53 HG1 THR 53 7.441 -7.481 7.298 412 1HG2 THR 53 1HG2 THR 53 9.420 -8.915 7.852 413 2HG2 THR 53 2HG2 THR 53 8.599 -9.240 6.306 414 3HG2 THR 53 3HG2 THR 53 8.964 -10.581 7.420 415 H TRP 54 H TRP 54 5.133 -7.368 6.864 416 HA TRP 54 HA TRP 54 5.625 -7.361 3.965 417 1HB TRP 54 1HB TRP 54 3.543 -5.847 5.551 418 2HB TRP 54 2HB TRP 54 3.787 -5.753 3.817 419 HD1 TRP 54 HD TRP 54 2.806 -8.477 6.443 420 HE1 TRP 54 HE1 TRP 54 1.166 -10.244 5.371 421 HE3 TRP 54 HE3 TRP 54 2.943 -6.538 1.744 422 HZ2 TRP 54 HZ2 TRP 54 0.133 -10.626 2.737 423 HZ3 TRP 54 HZ3 TRP 54 1.590 -7.668 -0.019 424 HH2 TRP 54 HH TRP 54 0.219 -9.644 0.417 425 H HIS 55 H HIS 55 5.865 -4.920 3.185 426 HA HIS 55 HA HIS 55 7.322 -3.376 5.170 427 1HB HIS 55 1HB HIS 55 8.473 -4.156 2.476 428 2HB HIS 55 2HB HIS 55 9.180 -2.993 3.580 429 HD1 HIS 55 HD1 HIS 55 10.959 -3.935 5.051 430 HD2 HIS 55 HD2 HIS 55 8.182 -6.853 3.883 431 HE1 HIS 55 HE1 HIS 55 11.787 -6.141 6.029 432 H CYS 56 H CYS 56 6.284 -1.451 5.216 433 HA CYS 56 HA CYS 56 5.084 -0.541 2.717 434 1HB CYS 56 1HB CYS 56 3.864 -0.784 5.087 435 2HB CYS 56 2HB CYS 56 4.517 0.824 5.316 436 HG CYS 56 HG CYS 56 1.995 0.874 4.451 437 H ILE 57 H ILE 57 5.832 1.356 1.736 438 HA ILE 57 HA ILE 57 7.732 2.970 3.262 439 HB ILE 57 HB ILE 57 8.200 1.730 0.554 440 1HG1 ILE 57 1HG1 ILE 57 8.779 0.335 2.490 441 2HG1 ILE 57 2HG1 ILE 57 10.196 0.810 1.574 442 1HG2 ILE 57 1HG2 ILE 57 10.286 3.073 0.483 443 2HG2 ILE 57 2HG2 ILE 57 9.707 3.993 1.892 444 3HG2 ILE 57 3HG2 ILE 57 8.806 4.055 0.358 445 1HD1 ILE 57 1HD1 ILE 57 9.705 2.844 3.564 446 2HD1 ILE 57 2HD1 ILE 57 11.099 1.748 3.424 447 3HD1 ILE 57 3HD1 ILE 57 9.667 1.251 4.356 448 H VAL 58 H VAL 58 8.111 5.139 2.138 449 HA VAL 58 HA VAL 58 5.802 5.888 0.506 450 HB VAL 58 HB VAL 58 5.070 6.498 2.645 451 1HG1 VAL 58 1HG1 VAL 58 7.936 6.966 3.169 452 2HG1 VAL 58 2HG1 VAL 58 6.642 6.413 4.258 453 3HG1 VAL 58 3HG1 VAL 58 6.841 8.149 3.922 454 1HG2 VAL 58 1HG2 VAL 58 4.528 8.624 2.163 455 2HG2 VAL 58 2HG2 VAL 58 5.540 8.410 0.714 456 3HG2 VAL 58 3HG2 VAL 58 6.226 9.159 2.176 457 H GLY 59 H GLY 59 7.070 6.058 -1.361 458 1HA GLY 59 2HA GLY 59 9.489 7.703 -1.222 459 2HA GLY 59 1HA GLY 59 8.965 6.691 -2.553 460 H ARG 60 H ARG 60 7.797 7.585 -4.243 461 HA ARG 60 HA ARG 60 6.376 10.013 -3.786 462 1HB ARG 60 1HB ARG 60 7.608 11.166 -5.741 463 2HB ARG 60 2HB ARG 60 8.489 11.063 -4.230 464 1HG ARG 60 1HG ARG 60 9.218 8.677 -5.412 465 2HG ARG 60 2HG ARG 60 9.011 9.691 -6.826 466 1HD ARG 60 1HD ARG 60 10.425 11.432 -5.292 467 2HD ARG 60 2HD ARG 60 11.006 9.936 -4.589 468 HE ARG 60 HE ARG 60 12.102 9.409 -6.613 469 1HH1 ARG 60 2HH2 ARG 60 9.962 12.191 -7.094 470 2HH1 ARG 60 1HH2 ARG 60 10.604 12.571 -8.658 471 1HH2 ARG 60 1HH ARG 60 12.360 11.217 -9.567 472 H ASN 61 H ASN 61 7.728 7.602 -6.113 473 HA ASN 61 HA ASN 61 5.127 7.630 -7.414 474 1HB ASN 61 1HB ASN 61 7.343 8.681 -8.641 475 2HB ASN 61 2HB ASN 61 7.540 7.001 -9.097 476 1HD2 ASN 61 2HD2 ASN 61 5.536 5.903 -9.921 477 2HD2 ASN 61 1HD2 ASN 61 4.526 6.779 -11.020 478 H PHE 62 H PHE 62 8.342 5.921 -7.706 479 HA PHE 62 HA PHE 62 6.995 3.442 -6.934 480 1HB PHE 62 1HB PHE 62 8.048 4.269 -9.530 481 2HB PHE 62 2HB PHE 62 9.083 2.996 -8.914 482 HD1 PHE 62 HD1 PHE 62 6.248 3.633 -10.816 483 HD2 PHE 62 HD2 PHE 62 7.711 0.923 -7.897 484 HE1 PHE 62 HE1 PHE 62 4.589 1.914 -11.581 485 HE2 PHE 62 HE2 PHE 62 6.051 -0.798 -8.663 486 HZ PHE 62 HZ PHE 62 4.509 -0.282 -10.495 487 H GLY 63 H GLY 63 9.358 1.813 -7.446 488 1HA GLY 63 2HA GLY 63 11.778 2.361 -6.693 489 2HA GLY 63 1HA GLY 63 10.984 2.719 -5.173 490 H SER 64 H SER 64 12.930 0.515 -6.041 491 HA SER 64 HA SER 64 13.254 -1.615 -5.755 492 1HB SER 64 1HB SER 64 11.902 -2.704 -3.831 493 2HB SER 64 2HB SER 64 12.893 -1.313 -3.439 494 HG SER 64 HG SER 64 11.127 -0.071 -3.110 495 H TYR 65 H TYR 65 12.690 -2.580 -7.729 496 HA TYR 65 HA TYR 65 10.303 -4.161 -7.711 497 1HB TYR 65 1HB TYR 65 9.919 -1.621 -8.569 498 2HB TYR 65 2HB TYR 65 10.723 -2.195 -10.014 499 HD1 TYR 65 HD1 TYR 65 9.672 -3.951 -11.427 500 HD2 TYR 65 HD2 TYR 65 7.656 -2.284 -8.040 501 HE1 TYR 65 HE1 TYR 65 7.461 -4.868 -12.282 502 HE2 TYR 65 HE2 TYR 65 5.451 -3.208 -8.908 503 HH TYR 65 HH TYR 65 5.271 -5.551 -11.234 504 H VAL 66 H VAL 66 13.027 -2.759 -9.635 505 HA VAL 66 HA VAL 66 13.300 -5.390 -10.910 506 HB VAL 66 HB VAL 66 14.543 -2.840 -11.895 507 1HG1 VAL 66 1HG1 VAL 66 13.475 -5.011 -13.654 508 2HG1 VAL 66 2HG1 VAL 66 14.958 -5.334 -12.724 509 3HG1 VAL 66 3HG1 VAL 66 14.901 -3.966 -13.860 510 1HG2 VAL 66 1HG2 VAL 66 11.674 -3.727 -12.203 511 2HG2 VAL 66 2HG2 VAL 66 12.479 -2.743 -13.450 512 3HG2 VAL 66 3HG2 VAL 66 12.318 -2.117 -11.792 513 H THR 67 H THR 67 14.161 -5.137 -8.255 514 HA THR 67 HA THR 67 16.973 -5.643 -8.617 515 HB THR 67 HB THR 67 15.918 -3.089 -7.483 516 HG1 THR 67 HG1 THR 67 17.402 -3.366 -9.329 517 1HG2 THR 67 1HG2 THR 67 18.086 -3.027 -6.024 518 2HG2 THR 67 2HG2 THR 67 18.012 -4.806 -6.080 519 3HG2 THR 67 3HG2 THR 67 16.678 -3.883 -5.346 520 H HIS 68 H HIS 68 14.761 -4.787 -5.870 521 HA HIS 68 HA HIS 68 15.502 -7.377 -4.735 522 1HB HIS 68 1HB HIS 68 14.718 -4.734 -3.534 523 2HB HIS 68 2HB HIS 68 14.475 -6.211 -2.623 524 HD1 HIS 68 HD1 HIS 68 16.936 -7.815 -2.895 525 HD2 HIS 68 HD2 HIS 68 17.080 -3.625 -2.778 526 HE1 HIS 68 HE1 HIS 68 19.304 -7.202 -2.176 527 H GLU 69 H GLU 69 13.749 -7.688 -6.765 528 HA GLU 69 HA GLU 69 11.165 -7.237 -6.556 529 1HB GLU 69 1HB GLU 69 12.501 -9.889 -7.246 530 2HB GLU 69 2HB GLU 69 10.808 -9.560 -7.554 531 1HG GLU 69 1HG GLU 69 11.379 -7.680 -9.030 532 2HG GLU 69 2HG GLU 69 13.076 -7.810 -8.613 533 HE2 GLU 69 HE GLU 69 10.794 -8.737 -10.690 534 H THR 70 H THR 70 9.268 -8.331 -5.629 535 HA THR 70 HA THR 70 9.906 -9.886 -3.213 536 HB THR 70 HB THR 70 8.239 -8.552 -1.998 537 HG1 THR 70 HG1 THR 70 8.049 -7.183 -4.588 538 1HG2 THR 70 1HG2 THR 70 10.388 -7.089 -3.517 539 2HG2 THR 70 2HG2 THR 70 10.120 -7.190 -1.760 540 3HG2 THR 70 3HG2 THR 70 9.125 -6.095 -2.750 541 H ARG 71 H ARG 71 6.927 -9.871 -2.643 542 HA ARG 71 HA ARG 71 6.325 -11.903 -4.635 543 1HB ARG 71 1HB ARG 71 5.523 -11.590 -1.711 544 2HB ARG 71 2HB ARG 71 4.641 -12.667 -2.777 545 1HG ARG 71 1HG ARG 71 7.669 -12.832 -2.514 546 2HG ARG 71 2HG ARG 71 6.611 -13.669 -1.395 547 1HD ARG 71 1HD ARG 71 5.787 -15.136 -3.044 548 2HD ARG 71 2HD ARG 71 6.114 -14.021 -4.356 549 HE ARG 71 HE ARG 71 8.352 -14.777 -4.444 550 1HH1 ARG 71 2HH2 ARG 71 6.744 -16.090 -1.572 551 2HH1 ARG 71 1HH2 ARG 71 8.016 -17.214 -1.223 552 1HH2 ARG 71 1HH ARG 71 9.935 -17.298 -2.655 553 H HIS 72 H HIS 72 4.513 -9.756 -2.306 554 HA HIS 72 HA HIS 72 2.781 -9.035 -4.557 555 1HB HIS 72 1HB HIS 72 2.114 -10.240 -1.974 556 2HB HIS 72 2HB HIS 72 1.224 -8.760 -2.271 557 HD1 HIS 72 HD1 HIS 72 0.702 -12.183 -2.631 558 HD2 HIS 72 HD2 HIS 72 0.283 -8.972 -5.298 559 HE1 HIS 72 HE1 HIS 72 -0.899 -12.973 -4.454 560 H PHE 73 H PHE 73 3.154 -6.940 -5.067 561 HA PHE 73 HA PHE 73 3.598 -5.109 -2.815 562 1HB PHE 73 1HB PHE 73 4.954 -3.849 -4.685 563 2HB PHE 73 2HB PHE 73 5.694 -5.281 -4.000 564 HD1 PHE 73 HD1 PHE 73 6.127 -7.200 -5.334 565 HD2 PHE 73 HD2 PHE 73 3.853 -3.990 -6.926 566 HE1 PHE 73 HE1 PHE 73 6.322 -8.199 -7.628 567 HE2 PHE 73 HE2 PHE 73 4.048 -4.989 -9.220 568 HZ PHE 73 HZ PHE 73 5.281 -7.082 -9.543 569 H ILE 74 H ILE 74 2.987 -2.801 -3.323 570 HA ILE 74 HA ILE 74 1.269 -2.365 -5.561 571 HB ILE 74 HB ILE 74 -0.506 -3.308 -4.552 572 1HG1 ILE 74 1HG1 ILE 74 -0.524 -0.672 -3.057 573 2HG1 ILE 74 2HG1 ILE 74 -0.906 -0.838 -4.759 574 1HG2 ILE 74 1HG2 ILE 74 0.876 -2.747 -1.931 575 2HG2 ILE 74 2HG2 ILE 74 0.471 -4.312 -2.677 576 3HG2 ILE 74 3HG2 ILE 74 -0.820 -3.284 -2.009 577 1HD1 ILE 74 1HD1 ILE 74 -2.581 -1.399 -2.439 578 2HD1 ILE 74 2HD1 ILE 74 -2.453 -2.836 -3.481 579 3HD1 ILE 74 3HD1 ILE 74 -3.040 -1.298 -4.155 580 H TYR 75 H TYR 75 2.232 -0.490 -6.171 581 HA TYR 75 HA TYR 75 2.793 1.459 -4.048 582 1HB TYR 75 1HB TYR 75 4.392 0.354 -6.009 583 2HB TYR 75 2HB TYR 75 3.707 1.675 -6.935 584 HD1 TYR 75 HD1 TYR 75 3.558 3.847 -4.932 585 HD2 TYR 75 HD2 TYR 75 6.620 0.938 -5.618 586 HE1 TYR 75 HE1 TYR 75 5.290 5.427 -3.950 587 HE2 TYR 75 HE2 TYR 75 8.342 2.528 -4.632 588 HH TYR 75 HH TYR 75 8.303 4.428 -2.993 589 H PHE 76 H PHE 76 1.015 2.761 -3.796 590 HA PHE 76 HA PHE 76 0.057 4.049 -6.246 591 1HB PHE 76 1HB PHE 76 -2.244 3.929 -5.099 592 2HB PHE 76 2HB PHE 76 -1.615 2.368 -5.587 593 HD1 PHE 76 HD1 PHE 76 -0.138 1.176 -3.699 594 HD2 PHE 76 HD2 PHE 76 -3.119 4.109 -2.976 595 HE1 PHE 76 HE1 PHE 76 -0.391 0.338 -1.347 596 HE2 PHE 76 HE2 PHE 76 -3.372 3.271 -0.623 597 HZ PHE 76 HZ PHE 76 -2.006 1.396 0.163 598 H TYR 77 H TYR 77 -1.593 5.947 -5.372 599 HA TYR 77 HA TYR 77 0.064 7.447 -3.470 600 1HB TYR 77 1HB TYR 77 -0.587 8.080 -5.995 601 2HB TYR 77 2HB TYR 77 -2.162 8.453 -5.322 602 HD1 TYR 77 HD1 TYR 77 1.363 9.121 -4.194 603 HD2 TYR 77 HD2 TYR 77 -2.481 10.738 -5.145 604 HE1 TYR 77 HE1 TYR 77 2.177 11.445 -3.561 605 HE2 TYR 77 HE2 TYR 77 -1.656 13.056 -4.509 606 HH TYR 77 HH TYR 77 1.173 14.007 -4.458 607 H LEU 78 H LEU 78 -0.766 8.157 -1.543 608 HA LEU 78 HA LEU 78 -3.631 7.648 -1.132 609 1HB LEU 78 1HB LEU 78 -1.241 7.194 0.616 610 2HB LEU 78 2HB LEU 78 -2.802 7.519 1.341 611 HG LEU 78 HG LEU 78 -2.101 5.215 -0.496 612 1HD1 LEU 78 1HD1 LEU 78 -3.226 4.598 2.125 613 2HD1 LEU 78 2HD1 LEU 78 -1.694 5.499 2.229 614 3HD1 LEU 78 3HD1 LEU 78 -1.767 3.969 1.321 615 1HD2 LEU 78 1HD2 LEU 78 -4.554 4.580 0.438 616 2HD2 LEU 78 2HD2 LEU 78 -4.260 5.378 -1.126 617 3HD2 LEU 78 3HD2 LEU 78 -4.719 6.346 0.297 618 H GLY 79 H GLY 79 -4.690 9.558 -1.279 619 1HA GLY 79 2HA GLY 79 -5.305 11.658 -0.738 620 2HA GLY 79 1HA GLY 79 -4.132 11.640 0.565 621 H GLN 80 H GLN 80 -1.983 12.435 0.229 622 HA GLN 80 HA GLN 80 -1.520 13.566 -2.407 623 1HB GLN 80 1HB GLN 80 -0.776 15.693 -1.445 624 2HB GLN 80 2HB GLN 80 -2.427 15.372 -0.958 625 1HG GLN 80 1HG GLN 80 -1.771 15.636 1.197 626 2HG GLN 80 2HG GLN 80 -0.874 14.138 1.050 627 1HE2 GLN 80 2HE2 GLN 80 0.638 14.952 2.534 628 2HE2 GLN 80 1HE2 GLN 80 1.874 16.074 2.072 629 H VAL 81 H VAL 81 -0.563 11.191 -0.683 630 HA VAL 81 HA VAL 81 2.284 11.801 -0.984 631 HB VAL 81 HB VAL 81 2.659 10.402 1.072 632 1HG1 VAL 81 1HG1 VAL 81 1.629 12.413 2.573 633 2HG1 VAL 81 2HG1 VAL 81 1.584 13.166 0.962 634 3HG1 VAL 81 3HG1 VAL 81 3.123 12.553 1.615 635 1HG2 VAL 81 1HG2 VAL 81 0.931 9.934 2.596 636 2HG2 VAL 81 2HG2 VAL 81 0.249 9.497 1.011 637 3HG2 VAL 81 3HG2 VAL 81 -0.209 11.033 1.784 638 H ALA 82 H ALA 82 3.567 9.610 -0.921 639 HA ALA 82 HA ALA 82 2.096 7.804 -2.686 640 1HB ALA 82 1HB ALA 82 4.007 8.096 -3.856 641 2HB ALA 82 2HB ALA 82 4.766 7.028 -2.649 642 3HB ALA 82 3HB ALA 82 4.853 8.795 -2.454 643 H ILE 83 H ILE 83 2.585 5.409 -2.411 644 HA ILE 83 HA ILE 83 3.402 4.607 0.223 645 HB ILE 83 HB ILE 83 1.051 5.319 0.541 646 1HG1 ILE 83 1HG1 ILE 83 0.387 2.803 1.317 647 2HG1 ILE 83 2HG1 ILE 83 2.113 2.606 1.091 648 1HG2 ILE 83 1HG2 ILE 83 -0.725 3.785 -0.377 649 2HG2 ILE 83 2HG2 ILE 83 0.509 3.143 -1.489 650 3HG2 ILE 83 3HG2 ILE 83 0.049 4.862 -1.565 651 1HD1 ILE 83 1HD1 ILE 83 0.833 4.825 2.753 652 2HD1 ILE 83 2HD1 ILE 83 2.577 4.508 2.589 653 3HD1 ILE 83 3HD1 ILE 83 1.532 3.328 3.415 654 H LEU 84 H LEU 84 4.513 2.731 0.018 655 HA LEU 84 HA LEU 84 3.811 1.033 -2.268 656 1HB LEU 84 1HB LEU 84 5.722 2.163 -3.009 657 2HB LEU 84 2HB LEU 84 6.503 2.078 -1.442 658 HG LEU 84 HG LEU 84 6.698 -0.410 -1.741 659 1HD1 LEU 84 1HD1 LEU 84 5.103 0.194 -4.100 660 2HD1 LEU 84 2HD1 LEU 84 5.433 -1.363 -3.303 661 3HD1 LEU 84 3HD1 LEU 84 6.580 -0.716 -4.500 662 1HD2 LEU 84 1HD2 LEU 84 8.182 0.495 -4.071 663 2HD2 LEU 84 2HD2 LEU 84 8.764 -0.038 -2.476 664 3HD2 LEU 84 3HD2 LEU 84 8.282 1.656 -2.726 665 H LEU 85 H LEU 85 2.932 -0.769 -1.397 666 HA LEU 85 HA LEU 85 4.189 -1.780 1.057 667 1HB LEU 85 1HB LEU 85 1.765 -0.998 1.088 668 2HB LEU 85 2HB LEU 85 1.403 -2.388 0.086 669 HG LEU 85 HG LEU 85 2.893 -3.386 2.270 670 1HD1 LEU 85 1HD1 LEU 85 1.015 -2.560 4.014 671 2HD1 LEU 85 2HD1 LEU 85 1.177 -1.089 3.024 672 3HD1 LEU 85 3HD1 LEU 85 2.604 -1.782 3.832 673 1HD2 LEU 85 1HD2 LEU 85 -0.075 -3.601 2.287 674 2HD2 LEU 85 2HD2 LEU 85 1.176 -4.860 2.432 675 3HD2 LEU 85 3HD2 LEU 85 0.781 -4.178 0.837 676 H PHE 86 H PHE 86 5.373 -3.601 0.865 677 HA PHE 86 HA PHE 86 4.597 -5.501 -1.202 678 1HB PHE 86 1HB PHE 86 7.052 -5.625 -1.848 679 2HB PHE 86 2HB PHE 86 6.362 -4.051 -2.190 680 HD1 PHE 86 HD1 PHE 86 9.059 -5.729 -0.705 681 HD2 PHE 86 HD2 PHE 86 6.629 -2.280 -0.244 682 HE1 PHE 86 HE1 PHE 86 10.860 -4.643 0.663 683 HE2 PHE 86 HE2 PHE 86 8.431 -1.195 1.124 684 HZ PHE 86 HZ PHE 86 10.525 -2.389 1.561 685 H LYS 87 H LYS 87 4.999 -7.660 -0.649 686 HA LYS 87 HA LYS 87 5.829 -8.030 2.115 687 1HB LYS 87 1HB LYS 87 3.705 -9.017 0.759 688 2HB LYS 87 2HB LYS 87 4.850 -10.314 0.486 689 1HG LYS 87 1HG LYS 87 4.421 -9.161 3.269 690 2HG LYS 87 2HG LYS 87 3.366 -10.409 2.636 691 1HD LYS 87 1HD LYS 87 6.393 -10.739 2.624 692 2HD LYS 87 2HD LYS 87 5.437 -11.159 4.031 693 1HE LYS 87 1HE LYS 87 4.821 -13.130 3.090 694 2HE LYS 87 2HE LYS 87 4.169 -12.304 1.688 695 1HZ LYS 87 1HZ LYS 87 6.511 -13.808 1.801 696 H SER 88 H SER 88 7.980 -8.258 2.436 697 HA SER 88 HA SER 88 9.348 -10.005 0.545 698 1HB SER 88 1HB SER 88 9.952 -7.545 0.297 699 2HB SER 88 2HB SER 88 10.590 -7.589 1.927 700 HG SER 88 HG SER 88 11.957 -9.462 1.108 701 H GLY 89 H GLY 89 10.780 -11.538 1.478 702 1HA GLY 89 2HA GLY 89 10.284 -12.316 4.128 703 2HA GLY 89 1HA GLY 89 11.558 -12.909 3.080 Start of MODEL 9 1 1H MET 1 H MET 1 -19.886 13.254 -15.080 2 HA MET 1 HA MET 1 -17.875 14.464 -14.374 3 1HB MET 1 1HB MET 1 -19.563 12.697 -12.916 4 2HB MET 1 2HB MET 1 -17.948 12.301 -12.361 5 1HG MET 1 1HG MET 1 -17.734 14.999 -12.252 6 2HG MET 1 2HG MET 1 -19.474 14.884 -12.081 7 1HE MET 1 1HE MET 1 -19.544 15.852 -9.668 8 2HE MET 1 2HE MET 1 -18.408 15.370 -8.385 9 3HE MET 1 3HE MET 1 -17.802 16.162 -9.859 10 H SER 2 H SER 2 -15.727 14.030 -13.137 11 HA SER 2 HA SER 2 -14.441 11.626 -14.098 12 1HB SER 2 1HB SER 2 -13.814 14.412 -14.966 13 2HB SER 2 2HB SER 2 -12.425 13.441 -14.520 14 HG SER 2 HG SER 2 -12.648 12.856 -16.607 15 H ASP 3 H ASP 3 -14.280 10.860 -11.942 16 HA ASP 3 HA ASP 3 -12.824 12.625 -10.141 17 1HB ASP 3 1HB ASP 3 -13.826 11.430 -8.310 18 2HB ASP 3 2HB ASP 3 -15.119 11.757 -9.449 19 HD2 ASP 3 HD ASP 3 -13.397 9.075 -7.977 20 H ARG 4 H ARG 4 -11.131 11.525 -8.755 21 HA ARG 4 HA ARG 4 -10.316 8.942 -9.744 22 1HB ARG 4 1HB ARG 4 -8.681 11.495 -9.899 23 2HB ARG 4 2HB ARG 4 -7.856 9.964 -9.678 24 1HG ARG 4 1HG ARG 4 -8.317 9.246 -11.816 25 2HG ARG 4 2HG ARG 4 -9.932 9.927 -11.810 26 1HD ARG 4 1HD ARG 4 -8.940 11.377 -13.331 27 2HD ARG 4 2HD ARG 4 -8.590 12.255 -11.856 28 HE ARG 4 HE ARG 4 -6.310 11.622 -12.012 29 1HH1 ARG 4 2HH2 ARG 4 -8.229 9.952 -14.479 30 2HH1 ARG 4 1HH2 ARG 4 -6.843 9.403 -15.362 31 1HH2 ARG 4 1HH ARG 4 -4.650 9.972 -14.579 32 H LYS 5 H LYS 5 -11.580 9.769 -7.266 33 HA LYS 5 HA LYS 5 -9.953 10.408 -5.184 34 1HB LYS 5 1HB LYS 5 -12.560 9.263 -5.569 35 2HB LYS 5 2HB LYS 5 -11.757 8.406 -4.269 36 1HG LYS 5 1HG LYS 5 -11.258 10.533 -3.114 37 2HG LYS 5 2HG LYS 5 -11.924 11.451 -4.451 38 1HD LYS 5 1HD LYS 5 -14.165 10.453 -4.055 39 2HD LYS 5 2HD LYS 5 -13.516 9.461 -2.764 40 1HE LYS 5 1HE LYS 5 -13.429 11.216 -1.266 41 2HE LYS 5 2HE LYS 5 -12.953 12.378 -2.488 42 1HZ LYS 5 1HZ LYS 5 -15.300 12.280 -3.314 43 H ALA 6 H ALA 6 -8.205 9.528 -4.208 44 HA ALA 6 HA ALA 6 -6.587 8.097 -3.728 45 1HB ALA 6 1HB ALA 6 -8.626 5.871 -4.049 46 2HB ALA 6 2HB ALA 6 -8.623 6.974 -2.652 47 3HB ALA 6 3HB ALA 6 -7.217 5.929 -2.962 48 H VAL 7 H VAL 7 -5.122 8.232 -5.398 49 HA VAL 7 HA VAL 7 -5.729 6.887 -7.887 50 HB VAL 7 HB VAL 7 -3.416 8.589 -6.942 51 1HG1 VAL 7 1HG1 VAL 7 -2.648 8.617 -9.263 52 2HG1 VAL 7 2HG1 VAL 7 -3.961 7.508 -9.729 53 3HG1 VAL 7 3HG1 VAL 7 -2.674 6.951 -8.634 54 1HG2 VAL 7 1HG2 VAL 7 -4.478 10.392 -7.794 55 2HG2 VAL 7 2HG2 VAL 7 -5.939 9.399 -7.563 56 3HG2 VAL 7 3HG2 VAL 7 -5.160 9.478 -9.162 57 H ILE 8 H ILE 8 -4.168 5.339 -8.856 58 HA ILE 8 HA ILE 8 -2.511 3.967 -6.891 59 HB ILE 8 HB ILE 8 -4.962 2.898 -8.174 60 1HG1 ILE 8 1HG1 ILE 8 -4.388 1.427 -5.919 61 2HG1 ILE 8 2HG1 ILE 8 -3.676 2.979 -5.527 62 1HG2 ILE 8 1HG2 ILE 8 -3.309 1.568 -9.321 63 2HG2 ILE 8 2HG2 ILE 8 -4.087 0.579 -8.062 64 3HG2 ILE 8 3HG2 ILE 8 -2.455 1.240 -7.795 65 1HD1 ILE 8 1HD1 ILE 8 -5.752 3.723 -5.010 66 2HD1 ILE 8 2HD1 ILE 8 -6.490 2.234 -5.648 67 3HD1 ILE 8 3HD1 ILE 8 -6.164 3.606 -6.737 68 H LYS 9 H LYS 9 -0.585 3.289 -7.749 69 HA LYS 9 HA LYS 9 -0.185 3.921 -10.552 70 1HB LYS 9 1HB LYS 9 1.442 3.884 -8.126 71 2HB LYS 9 2HB LYS 9 2.238 3.075 -9.462 72 1HG LYS 9 1HG LYS 9 2.193 5.010 -10.839 73 2HG LYS 9 2HG LYS 9 0.894 5.753 -9.928 74 1HD LYS 9 1HD LYS 9 3.668 5.250 -8.757 75 2HD LYS 9 2HD LYS 9 3.221 6.751 -9.542 76 1HE LYS 9 1HE LYS 9 1.125 6.207 -7.686 77 2HE LYS 9 2HE LYS 9 2.615 5.849 -6.834 78 1HZ LYS 9 1HZ LYS 9 3.434 8.071 -7.522 79 H ASN 10 H ASN 10 1.557 1.357 -8.780 80 HA ASN 10 HA ASN 10 0.523 -0.485 -10.789 81 1HB ASN 10 1HB ASN 10 3.053 0.025 -10.702 82 2HB ASN 10 2HB ASN 10 3.088 -0.771 -9.141 83 1HD2 ASN 10 2HD2 ASN 10 4.674 -1.796 -10.952 84 2HD2 ASN 10 1HD2 ASN 10 4.095 -3.291 -11.609 85 H ALA 11 H ALA 11 -1.092 -1.741 -9.824 86 HA ALA 11 HA ALA 11 -0.478 -2.859 -7.183 87 1HB ALA 11 1HB ALA 11 -3.329 -2.269 -7.770 88 2HB ALA 11 2HB ALA 11 -2.293 -0.844 -7.521 89 3HB ALA 11 3HB ALA 11 -2.410 -2.089 -6.257 90 H ASP 12 H ASP 12 -2.752 -2.990 -10.020 91 HA ASP 12 HA ASP 12 -3.603 -4.656 -11.116 92 1HB ASP 12 1HB ASP 12 -0.885 -5.724 -10.370 93 2HB ASP 12 2HB ASP 12 -2.025 -6.853 -11.074 94 HD2 ASP 12 HD ASP 12 -1.162 -3.447 -12.572 95 H MET 13 H MET 13 -1.875 -7.086 -9.160 96 HA MET 13 HA MET 13 -2.800 -8.847 -8.148 97 1HB MET 13 1HB MET 13 -2.275 -6.728 -6.519 98 2HB MET 13 2HB MET 13 -3.989 -6.875 -6.182 99 1HG MET 13 1HG MET 13 -3.041 -8.293 -4.552 100 2HG MET 13 2HG MET 13 -3.478 -9.430 -5.812 101 1HE MET 13 1HE MET 13 -1.127 -11.192 -6.838 102 2HE MET 13 2HE MET 13 -0.613 -11.340 -5.140 103 3HE MET 13 3HE MET 13 -2.335 -11.125 -5.532 104 H SER 14 H SER 14 -5.138 -8.461 -6.155 105 HA SER 14 HA SER 14 -7.237 -8.570 -8.178 106 1HB SER 14 1HB SER 14 -7.053 -10.795 -7.406 107 2HB SER 14 2HB SER 14 -6.699 -10.304 -5.760 108 HG SER 14 HG SER 14 -9.146 -10.788 -6.962 109 H GLU 15 H GLU 15 -9.144 -7.398 -7.753 110 HA GLU 15 HA GLU 15 -9.068 -5.183 -6.298 111 1HB GLU 15 1HB GLU 15 -10.955 -6.391 -7.839 112 2HB GLU 15 2HB GLU 15 -11.713 -6.591 -6.270 113 1HG GLU 15 1HG GLU 15 -11.570 -4.162 -5.843 114 2HG GLU 15 2HG GLU 15 -10.677 -3.918 -7.330 115 HE2 GLU 15 HE GLU 15 -13.920 -2.984 -8.108 116 H GLU 16 H GLU 16 -9.445 -8.458 -5.069 117 HA GLU 16 HA GLU 16 -10.684 -7.882 -2.670 118 1HB GLU 16 1HB GLU 16 -9.467 -10.137 -3.948 119 2HB GLU 16 2HB GLU 16 -8.768 -10.029 -2.345 120 1HG GLU 16 1HG GLU 16 -11.017 -9.984 -1.321 121 2HG GLU 16 2HG GLU 16 -11.771 -9.951 -2.902 122 HE2 GLU 16 HE GLU 16 -12.022 -13.343 -2.472 123 H MET 17 H MET 17 -7.147 -8.237 -3.445 124 HA MET 17 HA MET 17 -6.471 -7.282 -0.843 125 1HB MET 17 1HB MET 17 -4.791 -7.866 -3.346 126 2HB MET 17 2HB MET 17 -4.109 -7.511 -1.771 127 1HG MET 17 1HG MET 17 -4.137 -9.804 -1.548 128 2HG MET 17 2HG MET 17 -5.795 -9.531 -1.056 129 1HE MET 17 1HE MET 17 -4.634 -12.261 -2.267 130 2HE MET 17 2HE MET 17 -6.311 -12.043 -1.712 131 3HE MET 17 3HE MET 17 -5.989 -12.735 -3.320 132 H GLN 18 H GLN 18 -6.665 -6.016 -4.180 133 HA GLN 18 HA GLN 18 -5.197 -3.695 -3.689 134 1HB GLN 18 1HB GLN 18 -5.451 -4.239 -5.962 135 2HB GLN 18 2HB GLN 18 -7.160 -4.594 -5.800 136 1HG GLN 18 1HG GLN 18 -7.127 -2.503 -6.923 137 2HG GLN 18 2HG GLN 18 -7.470 -2.071 -5.258 138 1HE2 GLN 18 2HE2 GLN 18 -5.428 -1.784 -3.875 139 2HE2 GLN 18 1HE2 GLN 18 -4.166 -0.808 -4.552 140 H GLN 19 H GLN 19 -8.732 -4.453 -3.584 141 HA GLN 19 HA GLN 19 -9.440 -1.808 -2.943 142 1HB GLN 19 1HB GLN 19 -10.890 -3.709 -3.969 143 2HB GLN 19 2HB GLN 19 -11.099 -4.278 -2.326 144 1HG GLN 19 1HG GLN 19 -11.970 -1.615 -3.508 145 2HG GLN 19 2HG GLN 19 -12.972 -2.838 -2.751 146 1HE2 GLN 19 2HE2 GLN 19 -11.186 -0.007 -2.342 147 2HE2 GLN 19 1HE2 GLN 19 -11.239 0.136 -0.616 148 H ASP 20 H ASP 20 -8.973 -4.844 -1.027 149 HA ASP 20 HA ASP 20 -9.765 -3.794 1.391 150 1HB ASP 20 1HB ASP 20 -9.347 -6.221 0.881 151 2HB ASP 20 2HB ASP 20 -7.625 -5.903 0.830 152 HD2 ASP 20 HD ASP 20 -6.840 -5.825 3.756 153 H ALA 21 H ALA 21 -6.544 -3.984 -0.265 154 HA ALA 21 HA ALA 21 -5.055 -2.891 1.851 155 1HB ALA 21 1HB ALA 21 -4.538 -2.938 -1.150 156 2HB ALA 21 2HB ALA 21 -4.091 -4.213 0.008 157 3HB ALA 21 3HB ALA 21 -3.322 -2.612 0.109 158 H VAL 22 H VAL 22 -6.046 -1.372 -1.305 159 HA VAL 22 HA VAL 22 -5.333 1.193 -0.653 160 HB VAL 22 HB VAL 22 -6.127 0.127 -2.852 161 1HG1 VAL 22 1HG1 VAL 22 -8.309 -0.216 -3.266 162 2HG1 VAL 22 2HG1 VAL 22 -8.787 1.327 -2.518 163 3HG1 VAL 22 3HG1 VAL 22 -8.525 -0.112 -1.503 164 1HG2 VAL 22 1HG2 VAL 22 -5.861 2.201 -3.632 165 2HG2 VAL 22 2HG2 VAL 22 -5.930 2.789 -1.954 166 3HG2 VAL 22 3HG2 VAL 22 -7.414 2.718 -2.933 167 H ASP 23 H ASP 23 -7.991 -0.770 0.539 168 HA ASP 23 HA ASP 23 -9.696 1.294 1.262 169 1HB ASP 23 1HB ASP 23 -9.430 -1.577 1.697 170 2HB ASP 23 2HB ASP 23 -9.902 -0.803 3.197 171 HD2 ASP 23 HD ASP 23 -11.525 -2.322 2.493 172 H CYS 24 H CYS 24 -7.543 -0.782 3.361 173 HA CYS 24 HA CYS 24 -7.733 0.813 5.607 174 1HB CYS 24 1HB CYS 24 -5.826 -1.307 4.682 175 2HB CYS 24 2HB CYS 24 -5.384 -0.344 6.078 176 HG CYS 24 HG CYS 24 -7.204 -2.816 5.865 177 H ALA 25 H ALA 25 -5.782 1.034 2.644 178 HA ALA 25 HA ALA 25 -3.809 2.781 3.625 179 1HB ALA 25 1HB ALA 25 -3.068 2.774 1.447 180 2HB ALA 25 2HB ALA 25 -4.708 2.911 0.771 181 3HB ALA 25 3HB ALA 25 -4.123 1.342 1.377 182 H THR 26 H THR 26 -6.446 3.614 1.271 183 HA THR 26 HA THR 26 -6.334 6.325 1.615 184 HB THR 26 HB THR 26 -8.422 4.311 0.763 185 HG1 THR 26 HG1 THR 26 -8.048 5.737 -1.162 186 1HG2 THR 26 1HG2 THR 26 -9.848 6.019 1.808 187 2HG2 THR 26 2HG2 THR 26 -9.849 6.295 0.050 188 3HG2 THR 26 3HG2 THR 26 -8.856 7.323 1.110 189 H GLN 27 H GLN 27 -8.125 3.921 3.603 190 HA GLN 27 HA GLN 27 -9.483 5.818 5.101 191 1HB GLN 27 1HB GLN 27 -8.634 2.959 5.720 192 2HB GLN 27 2HB GLN 27 -9.654 3.895 6.794 193 1HG GLN 27 1HG GLN 27 -11.370 4.143 5.067 194 2HG GLN 27 2HG GLN 27 -10.323 3.438 3.852 195 1HE2 GLN 27 2HE2 GLN 27 -12.866 2.853 5.792 196 2HE2 GLN 27 1HE2 GLN 27 -12.779 1.135 5.981 197 H ALA 28 H ALA 28 -6.256 4.267 5.489 198 HA ALA 28 HA ALA 28 -5.674 5.132 8.042 199 1HB ALA 28 1HB ALA 28 -4.337 3.509 6.772 200 2HB ALA 28 2HB ALA 28 -3.314 4.855 7.325 201 3HB ALA 28 3HB ALA 28 -3.849 4.781 5.628 202 H LEU 29 H LEU 29 -5.084 6.774 4.858 203 HA LEU 29 HA LEU 29 -3.969 9.074 6.033 204 1HB LEU 29 1HB LEU 29 -3.553 8.387 3.738 205 2HB LEU 29 2HB LEU 29 -5.243 8.620 3.330 206 HG LEU 29 HG LEU 29 -3.923 11.004 4.470 207 1HD1 LEU 29 1HD1 LEU 29 -2.174 11.207 3.122 208 2HD1 LEU 29 2HD1 LEU 29 -3.177 10.883 1.688 209 3HD1 LEU 29 3HD1 LEU 29 -2.446 9.531 2.586 210 1HD2 LEU 29 1HD2 LEU 29 -5.032 11.909 2.268 211 2HD2 LEU 29 2HD2 LEU 29 -6.027 11.467 3.675 212 3HD2 LEU 29 3HD2 LEU 29 -5.880 10.345 2.303 213 H GLU 30 H GLU 30 -7.203 7.844 5.854 214 HA GLU 30 HA GLU 30 -8.279 10.511 6.228 215 1HB GLU 30 1HB GLU 30 -9.210 8.238 4.837 216 2HB GLU 30 2HB GLU 30 -10.238 8.331 6.254 217 1HG GLU 30 1HG GLU 30 -9.719 10.932 4.869 218 2HG GLU 30 2HG GLU 30 -10.668 9.772 3.961 219 HE2 GLU 30 HE GLU 30 -12.107 11.817 6.947 220 H LYS 31 H LYS 31 -6.741 8.436 8.144 221 HA LYS 31 HA LYS 31 -8.564 8.936 10.384 222 1HB LYS 31 1HB LYS 31 -8.917 6.653 10.034 223 2HB LYS 31 2HB LYS 31 -7.253 6.349 9.584 224 1HG LYS 31 1HG LYS 31 -6.490 6.388 11.811 225 2HG LYS 31 2HG LYS 31 -7.807 7.408 12.358 226 1HD LYS 31 1HD LYS 31 -9.357 5.375 11.772 227 2HD LYS 31 2HD LYS 31 -7.879 4.434 11.730 228 1HE LYS 31 1HE LYS 31 -8.216 6.202 14.125 229 2HE LYS 31 2HE LYS 31 -9.343 4.865 14.008 230 1HZ LYS 31 1HZ LYS 31 -7.596 3.785 14.984 231 H TYR 32 H TYR 32 -5.212 8.189 9.254 232 HA TYR 32 HA TYR 32 -4.222 9.566 11.652 233 1HB TYR 32 1HB TYR 32 -3.245 7.484 9.639 234 2HB TYR 32 2HB TYR 32 -2.045 8.421 10.506 235 HD1 TYR 32 HD1 TYR 32 -4.463 5.713 10.713 236 HD2 TYR 32 HD2 TYR 32 -1.879 8.242 12.999 237 HE1 TYR 32 HE1 TYR 32 -4.624 4.112 12.681 238 HE2 TYR 32 HE2 TYR 32 -2.049 6.633 14.959 239 HH TYR 32 HH TYR 32 -4.053 4.822 15.632 240 H ASN 33 H ASN 33 -2.284 10.983 11.353 241 HA ASN 33 HA ASN 33 -2.511 12.345 8.787 242 1HB ASN 33 1HB ASN 33 -2.988 13.435 11.249 243 2HB ASN 33 2HB ASN 33 -1.259 13.712 11.163 244 1HD2 ASN 33 2HD2 ASN 33 -4.171 13.945 9.125 245 2HD2 ASN 33 1HD2 ASN 33 -3.796 15.462 8.376 246 H ILE 34 H ILE 34 -0.569 10.398 10.845 247 HA ILE 34 HA ILE 34 1.940 11.496 9.842 248 HB ILE 34 HB ILE 34 1.629 9.226 11.785 249 1HG1 ILE 34 1HG1 ILE 34 2.085 11.581 13.255 250 2HG1 ILE 34 2HG1 ILE 34 0.764 11.967 12.171 251 1HG2 ILE 34 1HG2 ILE 34 3.787 10.574 12.597 252 2HG2 ILE 34 2HG2 ILE 34 3.807 11.040 10.879 253 3HG2 ILE 34 3HG2 ILE 34 3.852 9.320 11.335 254 1HD1 ILE 34 1HD1 ILE 34 -0.435 11.004 13.911 255 2HD1 ILE 34 2HD1 ILE 34 0.892 9.905 14.357 256 3HD1 ILE 34 3HD1 ILE 34 -0.121 9.548 12.937 257 H GLU 35 H GLU 35 2.403 10.835 7.800 258 HA GLU 35 HA GLU 35 1.366 8.656 6.569 259 1HB GLU 35 1HB GLU 35 3.500 10.577 6.085 260 2HB GLU 35 2HB GLU 35 3.984 8.997 5.503 261 1HG GLU 35 1HG GLU 35 1.497 10.575 4.729 262 2HG GLU 35 2HG GLU 35 2.821 10.091 3.687 263 HE2 GLU 35 HE GLU 35 -0.161 9.329 4.558 264 H LYS 36 H LYS 36 4.458 8.916 8.435 265 HA LYS 36 HA LYS 36 5.461 6.415 7.946 266 1HB LYS 36 1HB LYS 36 5.803 8.523 9.949 267 2HB LYS 36 2HB LYS 36 6.106 6.925 10.600 268 1HG LYS 36 1HG LYS 36 7.405 6.723 8.182 269 2HG LYS 36 2HG LYS 36 7.605 8.434 8.503 270 1HD LYS 36 1HD LYS 36 9.032 8.077 10.268 271 2HD LYS 36 2HD LYS 36 8.113 6.713 10.871 272 1HE LYS 36 1HE LYS 36 9.738 6.463 8.315 273 2HE LYS 36 2HE LYS 36 10.510 6.286 9.878 274 1HZ LYS 36 1HZ LYS 36 9.791 4.166 9.769 275 H ASP 37 H ASP 37 2.998 7.441 10.382 276 HA ASP 37 HA ASP 37 2.784 4.839 11.435 277 1HB ASP 37 1HB ASP 37 2.117 7.195 12.437 278 2HB ASP 37 2HB ASP 37 0.605 6.949 11.585 279 HD2 ASP 37 HD ASP 37 2.367 6.087 14.326 280 H ILE 38 H ILE 38 1.448 6.628 8.706 281 HA ILE 38 HA ILE 38 -0.947 5.160 8.408 282 HB ILE 38 HB ILE 38 0.686 6.892 6.560 283 1HG1 ILE 38 1HG1 ILE 38 -0.785 7.643 8.688 284 2HG1 ILE 38 2HG1 ILE 38 -0.575 8.628 7.255 285 1HG2 ILE 38 1HG2 ILE 38 -1.967 5.530 6.026 286 2HG2 ILE 38 2HG2 ILE 38 -0.439 5.320 5.138 287 3HG2 ILE 38 3HG2 ILE 38 -1.306 6.873 5.062 288 1HD1 ILE 38 1HD1 ILE 38 -2.957 8.517 7.812 289 2HD1 ILE 38 2HD1 ILE 38 -2.905 6.739 7.815 290 3HD1 ILE 38 3HD1 ILE 38 -2.678 7.632 6.292 291 H ALA 39 H ALA 39 2.141 5.060 6.483 292 HA ALA 39 HA ALA 39 1.469 2.698 5.159 293 1HB ALA 39 1HB ALA 39 4.266 2.828 5.288 294 2HB ALA 39 2HB ALA 39 3.736 4.523 5.426 295 3HB ALA 39 3HB ALA 39 3.227 3.542 4.031 296 H ALA 40 H ALA 40 3.111 3.365 8.280 297 HA ALA 40 HA ALA 40 3.986 0.718 8.695 298 1HB ALA 40 1HB ALA 40 4.296 1.508 11.030 299 2HB ALA 40 2HB ALA 40 3.393 2.991 10.633 300 3HB ALA 40 3HB ALA 40 4.953 2.659 9.841 301 H TYR 41 H TYR 41 0.913 2.442 9.175 302 HA TYR 41 HA TYR 41 -0.194 0.457 10.900 303 1HB TYR 41 1HB TYR 41 -1.100 2.695 10.997 304 2HB TYR 41 2HB TYR 41 -1.046 2.882 9.256 305 HD1 TYR 41 HD1 TYR 41 -2.918 2.307 7.887 306 HD2 TYR 41 HD2 TYR 41 -2.901 1.262 12.036 307 HE1 TYR 41 HE1 TYR 41 -5.384 1.705 7.754 308 HE2 TYR 41 HE2 TYR 41 -5.368 0.663 11.887 309 HH TYR 41 HH TYR 41 -7.115 0.972 8.805 310 H ILE 42 H ILE 42 -0.169 1.126 7.373 311 HA ILE 42 HA ILE 42 -2.208 -0.702 6.735 312 HB ILE 42 HB ILE 42 0.073 0.330 5.048 313 1HG1 ILE 42 1HG1 ILE 42 -2.661 1.502 4.890 314 2HG1 ILE 42 2HG1 ILE 42 -1.710 1.910 6.305 315 1HG2 ILE 42 1HG2 ILE 42 -2.045 -0.039 3.370 316 2HG2 ILE 42 2HG2 ILE 42 -2.236 -1.410 4.489 317 3HG2 ILE 42 3HG2 ILE 42 -0.710 -1.193 3.600 318 1HD1 ILE 42 1HD1 ILE 42 -1.493 3.036 3.707 319 2HD1 ILE 42 2HD1 ILE 42 -0.025 2.056 3.937 320 3HD1 ILE 42 3HD1 ILE 42 -0.432 3.339 5.103 321 H LYS 43 H LYS 43 1.409 -0.959 6.727 322 HA LYS 43 HA LYS 43 1.464 -3.623 5.902 323 1HB LYS 43 1HB LYS 43 3.489 -2.581 5.647 324 2HB LYS 43 2HB LYS 43 3.368 -1.702 7.158 325 1HG LYS 43 1HG LYS 43 3.507 -4.686 7.397 326 2HG LYS 43 2HG LYS 43 4.960 -3.900 6.811 327 1HD LYS 43 1HD LYS 43 4.579 -2.246 8.845 328 2HD LYS 43 2HD LYS 43 3.552 -3.522 9.470 329 1HE LYS 43 1HE LYS 43 5.409 -4.560 10.259 330 2HE LYS 43 2HE LYS 43 5.903 -4.852 8.604 331 1HZ LYS 43 1HZ LYS 43 7.131 -3.152 10.433 332 H LYS 44 H LYS 44 1.443 -2.120 9.194 333 HA LYS 44 HA LYS 44 1.652 -4.514 10.597 334 1HB LYS 44 1HB LYS 44 2.092 -2.481 11.728 335 2HB LYS 44 2HB LYS 44 0.548 -1.786 11.280 336 1HG LYS 44 1HG LYS 44 -0.660 -3.146 12.810 337 2HG LYS 44 2HG LYS 44 0.618 -4.340 12.914 338 1HD LYS 44 1HD LYS 44 1.225 -3.290 14.844 339 2HD LYS 44 2HD LYS 44 1.917 -2.053 13.811 340 1HE LYS 44 1HE LYS 44 -0.229 -0.784 13.866 341 2HE LYS 44 2HE LYS 44 -0.958 -2.035 14.853 342 1HZ LYS 44 1HZ LYS 44 0.942 -1.561 16.474 343 H GLU 45 H GLU 45 -1.184 -2.736 9.269 344 HA GLU 45 HA GLU 45 -3.130 -4.233 10.485 345 1HB GLU 45 1HB GLU 45 -3.356 -2.098 9.073 346 2HB GLU 45 2HB GLU 45 -3.302 -3.125 7.654 347 1HG GLU 45 1HG GLU 45 -5.361 -3.249 9.906 348 2HG GLU 45 2HG GLU 45 -5.642 -2.700 8.265 349 HE2 GLU 45 HE GLU 45 -4.617 -5.762 6.997 350 H PHE 46 H PHE 46 -1.414 -4.768 7.339 351 HA PHE 46 HA PHE 46 -2.860 -7.150 6.785 352 1HB PHE 46 1HB PHE 46 -0.612 -5.472 5.719 353 2HB PHE 46 2HB PHE 46 -0.461 -7.172 5.326 354 HD1 PHE 46 HD1 PHE 46 -3.473 -4.976 5.542 355 HD2 PHE 46 HD2 PHE 46 -1.009 -7.415 3.095 356 HE1 PHE 46 HE1 PHE 46 -5.074 -4.677 3.634 357 HE2 PHE 46 HE2 PHE 46 -2.611 -7.117 1.186 358 HZ PHE 46 HZ PHE 46 -4.625 -5.751 1.477 359 H ASP 47 H ASP 47 0.709 -6.685 7.305 360 HA ASP 47 HA ASP 47 1.525 -9.129 7.591 361 1HB ASP 47 1HB ASP 47 3.357 -8.116 8.473 362 2HB ASP 47 2HB ASP 47 2.430 -6.629 8.472 363 HD2 ASP 47 HD ASP 47 2.714 -9.406 10.777 364 H LYS 48 H LYS 48 -0.431 -7.310 10.009 365 HA LYS 48 HA LYS 48 -0.315 -8.675 12.257 366 1HB LYS 48 1HB LYS 48 -1.870 -6.873 11.961 367 2HB LYS 48 2HB LYS 48 -2.802 -7.777 10.786 368 1HG LYS 48 1HG LYS 48 -4.087 -8.546 12.488 369 2HG LYS 48 2HG LYS 48 -2.708 -9.474 13.045 370 1HD LYS 48 1HD LYS 48 -2.365 -6.712 13.871 371 2HD LYS 48 2HD LYS 48 -3.969 -7.243 14.336 372 1HE LYS 48 1HE LYS 48 -1.415 -8.804 14.950 373 2HE LYS 48 2HE LYS 48 -2.182 -7.703 16.077 374 1HZ LYS 48 1HZ LYS 48 -2.833 -10.357 15.703 375 H LYS 49 H LYS 49 -2.918 -9.742 9.984 376 HA LYS 49 HA LYS 49 -2.001 -12.489 10.397 377 1HB LYS 49 1HB LYS 49 -4.608 -11.300 11.227 378 2HB LYS 49 2HB LYS 49 -4.652 -12.894 10.502 379 1HG LYS 49 1HG LYS 49 -3.092 -13.779 12.157 380 2HG LYS 49 2HG LYS 49 -2.759 -12.176 12.784 381 1HD LYS 49 1HD LYS 49 -4.332 -12.824 14.350 382 2HD LYS 49 2HD LYS 49 -5.426 -12.151 13.159 383 1HE LYS 49 1HE LYS 49 -5.536 -14.530 12.129 384 2HE LYS 49 2HE LYS 49 -4.727 -15.089 13.578 385 1HZ LYS 49 1HZ LYS 49 -6.835 -15.207 14.369 386 H TYR 50 H TYR 50 -1.111 -11.704 8.191 387 HA TYR 50 HA TYR 50 -3.100 -12.479 6.192 388 1HB TYR 50 1HB TYR 50 -2.618 -9.876 6.561 389 2HB TYR 50 2HB TYR 50 -1.055 -10.217 5.849 390 HD1 TYR 50 HD1 TYR 50 -1.376 -11.805 3.579 391 HD2 TYR 50 HD2 TYR 50 -4.132 -8.910 5.106 392 HE1 TYR 50 HE1 TYR 50 -2.377 -11.525 1.260 393 HE2 TYR 50 HE2 TYR 50 -5.124 -8.641 2.781 394 HH TYR 50 HH TYR 50 -4.872 -9.092 0.654 395 H ASN 51 H ASN 51 0.327 -11.266 6.255 396 HA ASN 51 HA ASN 51 1.427 -13.779 5.877 397 1HB ASN 51 1HB ASN 51 0.213 -13.198 3.567 398 2HB ASN 51 2HB ASN 51 1.601 -12.160 3.313 399 1HD2 ASN 51 2HD2 ASN 51 1.754 -13.731 1.477 400 2HD2 ASN 51 1HD2 ASN 51 2.714 -15.155 1.699 401 HA PRO 52 HA PRO 52 4.122 -10.207 6.838 402 1HB PRO 52 1HB PRO 52 5.009 -11.051 9.281 403 2HB PRO 52 2HB PRO 52 3.639 -9.978 9.077 404 1HG PRO 52 1HG PRO 52 3.656 -12.853 9.763 405 2HG PRO 52 2HG PRO 52 2.367 -11.684 9.967 406 1HD PRO 52 1HD PRO 52 2.553 -13.694 7.929 407 2HD PRO 52 2HD PRO 52 1.326 -12.450 8.067 408 H THR 53 H THR 53 7.420 -11.226 6.523 409 HA THR 53 HA THR 53 5.450 -9.397 7.694 410 HB THR 53 HB THR 53 7.625 -9.779 8.887 411 HG1 THR 53 HG1 THR 53 7.414 -7.224 7.459 412 1HG2 THR 53 1HG2 THR 53 9.717 -9.040 7.929 413 2HG2 THR 53 2HG2 THR 53 8.897 -8.336 6.515 414 3HG2 THR 53 3HG2 THR 53 8.989 -10.104 6.703 415 H TRP 54 H TRP 54 5.274 -7.196 6.889 416 HA TRP 54 HA TRP 54 5.707 -7.160 3.985 417 1HB TRP 54 1HB TRP 54 3.696 -5.649 5.663 418 2HB TRP 54 2HB TRP 54 3.886 -5.515 3.926 419 HD1 TRP 54 HD TRP 54 2.976 -8.304 6.511 420 HE1 TRP 54 HE1 TRP 54 1.283 -10.028 5.451 421 HE3 TRP 54 HE3 TRP 54 2.952 -6.229 1.868 422 HZ2 TRP 54 HZ2 TRP 54 0.149 -10.324 2.850 423 HZ3 TRP 54 HZ3 TRP 54 1.524 -7.297 0.127 424 HH2 TRP 54 HH TRP 54 0.155 -9.275 0.556 425 H HIS 55 H HIS 55 6.030 -4.779 3.166 426 HA HIS 55 HA HIS 55 7.504 -3.205 5.115 427 1HB HIS 55 1HB HIS 55 8.664 -4.009 2.432 428 2HB HIS 55 2HB HIS 55 9.401 -2.924 3.594 429 HD1 HIS 55 HD1 HIS 55 10.878 -3.960 5.361 430 HD2 HIS 55 HD2 HIS 55 8.447 -6.782 3.431 431 HE1 HIS 55 HE1 HIS 55 11.643 -6.248 6.188 432 H CYS 56 H CYS 56 6.630 -1.202 5.071 433 HA CYS 56 HA CYS 56 5.523 -0.322 2.505 434 1HB CYS 56 1HB CYS 56 4.022 -0.662 4.651 435 2HB CYS 56 2HB CYS 56 4.681 0.893 5.121 436 HG CYS 56 HG CYS 56 3.715 0.450 2.026 437 H ILE 57 H ILE 57 6.246 1.680 1.691 438 HA ILE 57 HA ILE 57 8.094 3.169 3.413 439 HB ILE 57 HB ILE 57 8.549 2.128 0.634 440 1HG1 ILE 57 1HG1 ILE 57 10.794 1.597 1.666 441 2HG1 ILE 57 2HG1 ILE 57 10.137 2.091 3.213 442 1HG2 ILE 57 1HG2 ILE 57 10.642 3.677 0.765 443 2HG2 ILE 57 2HG2 ILE 57 9.630 4.643 1.866 444 3HG2 ILE 57 3HG2 ILE 57 9.085 4.332 0.200 445 1HD1 ILE 57 1HD1 ILE 57 8.335 0.237 1.801 446 2HD1 ILE 57 2HD1 ILE 57 8.979 0.149 3.458 447 3HD1 ILE 57 3HD1 ILE 57 9.945 -0.463 2.095 448 H VAL 58 H VAL 58 8.199 5.460 2.960 449 HA VAL 58 HA VAL 58 6.099 6.412 1.159 450 HB VAL 58 HB VAL 58 6.540 7.434 3.969 451 1HG1 VAL 58 1HG1 VAL 58 4.057 7.964 2.395 452 2HG1 VAL 58 2HG1 VAL 58 5.535 8.840 1.931 453 3HG1 VAL 58 3HG1 VAL 58 4.900 8.982 3.588 454 1HG2 VAL 58 1HG2 VAL 58 5.508 5.489 4.538 455 2HG2 VAL 58 2HG2 VAL 58 4.803 5.258 2.920 456 3HG2 VAL 58 3HG2 VAL 58 4.052 6.397 4.062 457 H GLY 59 H GLY 59 7.464 7.233 -0.403 458 1HA GLY 59 2HA GLY 59 9.318 9.338 0.522 459 2HA GLY 59 1HA GLY 59 9.820 8.125 -0.639 460 H ARG 60 H ARG 60 9.047 8.184 -2.809 461 HA ARG 60 HA ARG 60 7.066 10.122 -3.467 462 1HB ARG 60 1HB ARG 60 9.830 10.875 -3.566 463 2HB ARG 60 2HB ARG 60 9.333 10.637 -5.231 464 1HG ARG 60 1HG ARG 60 7.264 12.093 -4.672 465 2HG ARG 60 2HG ARG 60 8.076 12.500 -3.173 466 1HD ARG 60 1HD ARG 60 9.635 13.843 -4.220 467 2HD ARG 60 2HD ARG 60 9.775 12.783 -5.607 468 HE ARG 60 HE ARG 60 7.188 13.905 -5.746 469 1HH1 ARG 60 2HH2 ARG 60 10.530 15.078 -5.833 470 2HH1 ARG 60 1HH2 ARG 60 10.154 16.453 -6.817 471 1HH2 ARG 60 1HH ARG 60 7.890 16.811 -7.516 472 H ASN 61 H ASN 61 9.669 7.858 -4.545 473 HA ASN 61 HA ASN 61 7.770 6.845 -6.496 474 1HB ASN 61 1HB ASN 61 9.837 8.373 -7.354 475 2HB ASN 61 2HB ASN 61 10.713 6.864 -7.194 476 1HD2 ASN 61 2HD2 ASN 61 10.698 5.525 -8.830 477 2HD2 ASN 61 1HD2 ASN 61 9.570 5.486 -10.143 478 H PHE 62 H PHE 62 9.514 4.794 -7.537 479 HA PHE 62 HA PHE 62 10.492 3.397 -5.172 480 1HB PHE 62 1HB PHE 62 9.151 1.431 -5.774 481 2HB PHE 62 2HB PHE 62 8.049 2.794 -5.751 482 HD1 PHE 62 HD1 PHE 62 9.046 0.002 -7.579 483 HD2 PHE 62 HD2 PHE 62 7.829 4.032 -8.110 484 HE1 PHE 62 HE1 PHE 62 8.352 -0.517 -9.934 485 HE2 PHE 62 HE2 PHE 62 7.134 3.513 -10.466 486 HZ PHE 62 HZ PHE 62 7.404 1.244 -11.350 487 H GLY 63 H GLY 63 10.620 0.888 -6.895 488 1HA GLY 63 2HA GLY 63 11.794 0.764 -9.186 489 2HA GLY 63 1HA GLY 63 13.053 1.660 -8.360 490 H SER 64 H SER 64 10.978 -1.293 -7.930 491 HA SER 64 HA SER 64 13.260 -2.886 -7.540 492 1HB SER 64 1HB SER 64 12.035 -1.683 -5.169 493 2HB SER 64 2HB SER 64 11.926 -3.431 -5.099 494 HG SER 64 HG SER 64 14.282 -3.460 -5.607 495 H TYR 65 H TYR 65 12.286 -4.178 -9.170 496 HA TYR 65 HA TYR 65 10.255 -5.963 -8.219 497 1HB TYR 65 1HB TYR 65 8.802 -4.164 -9.014 498 2HB TYR 65 2HB TYR 65 9.861 -3.809 -10.365 499 HD1 TYR 65 HD1 TYR 65 7.681 -6.559 -9.041 500 HD2 TYR 65 HD2 TYR 65 9.313 -4.614 -12.484 501 HE1 TYR 65 HE1 TYR 65 6.254 -8.023 -10.554 502 HE2 TYR 65 HE2 TYR 65 7.881 -6.083 -13.985 503 HH TYR 65 HH TYR 65 5.777 -8.582 -12.583 504 H VAL 66 H VAL 66 11.926 -4.658 -11.172 505 HA VAL 66 HA VAL 66 12.153 -7.391 -12.154 506 HB VAL 66 HB VAL 66 11.308 -5.709 -13.670 507 1HG1 VAL 66 1HG1 VAL 66 13.152 -3.970 -14.455 508 2HG1 VAL 66 2HG1 VAL 66 13.737 -4.194 -12.789 509 3HG1 VAL 66 3HG1 VAL 66 12.076 -3.626 -13.080 510 1HG2 VAL 66 1HG2 VAL 66 13.556 -7.389 -14.159 511 2HG2 VAL 66 2HG2 VAL 66 13.795 -5.886 -15.083 512 3HG2 VAL 66 3HG2 VAL 66 12.311 -6.841 -15.308 513 H THR 67 H THR 67 13.574 -7.099 -9.817 514 HA THR 67 HA THR 67 16.259 -7.497 -10.779 515 HB THR 67 HB THR 67 15.465 -5.123 -9.030 516 HG1 THR 67 HG1 THR 67 15.663 -4.711 -11.291 517 1HG2 THR 67 1HG2 THR 67 17.971 -6.742 -9.033 518 2HG2 THR 67 2HG2 THR 67 17.400 -5.545 -7.844 519 3HG2 THR 67 3HG2 THR 67 18.215 -5.005 -9.331 520 H HIS 68 H HIS 68 14.487 -6.809 -7.683 521 HA HIS 68 HA HIS 68 15.779 -9.183 -6.608 522 1HB HIS 68 1HB HIS 68 15.197 -6.622 -5.575 523 2HB HIS 68 2HB HIS 68 14.131 -7.725 -4.727 524 HD1 HIS 68 HD1 HIS 68 15.374 -9.829 -3.502 525 HD2 HIS 68 HD2 HIS 68 17.808 -6.626 -4.689 526 HE1 HIS 68 HE1 HIS 68 17.559 -10.076 -2.209 527 H GLU 69 H GLU 69 12.582 -7.751 -7.367 528 HA GLU 69 HA GLU 69 10.636 -8.671 -7.677 529 1HB GLU 69 1HB GLU 69 12.433 -10.954 -8.023 530 2HB GLU 69 2HB GLU 69 10.890 -11.470 -7.369 531 1HG GLU 69 1HG GLU 69 10.449 -9.496 -9.468 532 2HG GLU 69 2HG GLU 69 11.488 -10.771 -10.072 533 HE2 GLU 69 HE GLU 69 8.811 -12.746 -10.607 534 H THR 70 H THR 70 8.793 -9.625 -6.458 535 HA THR 70 HA THR 70 9.423 -10.442 -3.731 536 HB THR 70 HB THR 70 7.976 -8.684 -2.791 537 HG1 THR 70 HG1 THR 70 6.595 -8.654 -4.767 538 1HG2 THR 70 1HG2 THR 70 9.142 -6.586 -3.573 539 2HG2 THR 70 2HG2 THR 70 9.900 -7.529 -4.878 540 3HG2 THR 70 3HG2 THR 70 10.291 -7.887 -3.179 541 H ARG 71 H ARG 71 6.479 -9.899 -3.113 542 HA ARG 71 HA ARG 71 5.432 -12.063 -4.750 543 1HB ARG 71 1HB ARG 71 5.388 -11.718 -1.735 544 2HB ARG 71 2HB ARG 71 4.093 -12.604 -2.514 545 1HG ARG 71 1HG ARG 71 5.411 -14.440 -2.660 546 2HG ARG 71 2HG ARG 71 6.558 -13.554 -3.647 547 1HD ARG 71 1HD ARG 71 7.240 -12.545 -1.212 548 2HD ARG 71 2HD ARG 71 6.612 -14.096 -0.690 549 HE ARG 71 HE ARG 71 8.455 -14.302 -2.959 550 1HH1 ARG 71 2HH2 ARG 71 8.222 -14.188 0.574 551 2HH1 ARG 71 1HH2 ARG 71 9.741 -14.982 0.824 552 1HH2 ARG 71 1HH ARG 71 11.039 -15.657 -1.074 553 H HIS 72 H HIS 72 4.228 -9.907 -2.070 554 HA HIS 72 HA HIS 72 2.115 -9.056 -3.914 555 1HB HIS 72 1HB HIS 72 1.613 -10.483 -1.766 556 2HB HIS 72 2HB HIS 72 1.825 -8.961 -0.926 557 HD1 HIS 72 HD1 HIS 72 0.401 -6.971 -2.745 558 HD2 HIS 72 HD2 HIS 72 -1.094 -10.805 -1.925 559 HE1 HIS 72 HE1 HIS 72 -2.110 -6.867 -3.179 560 H PHE 73 H PHE 73 2.473 -7.026 -4.649 561 HA PHE 73 HA PHE 73 3.337 -5.046 -2.692 562 1HB PHE 73 1HB PHE 73 4.801 -4.189 -4.735 563 2HB PHE 73 2HB PHE 73 5.418 -5.526 -3.785 564 HD1 PHE 73 HD1 PHE 73 4.745 -7.919 -4.652 565 HD2 PHE 73 HD2 PHE 73 4.695 -4.409 -7.036 566 HE1 PHE 73 HE1 PHE 73 4.892 -9.324 -6.727 567 HE2 PHE 73 HE2 PHE 73 4.841 -5.813 -9.110 568 HZ PHE 73 HZ PHE 73 4.938 -8.256 -8.931 569 H ILE 74 H ILE 74 2.712 -2.858 -3.228 570 HA ILE 74 HA ILE 74 1.312 -2.346 -5.654 571 HB ILE 74 HB ILE 74 -0.607 -3.274 -4.954 572 1HG1 ILE 74 1HG1 ILE 74 -2.133 -1.654 -4.089 573 2HG1 ILE 74 2HG1 ILE 74 -0.859 -0.771 -3.274 574 1HG2 ILE 74 1HG2 ILE 74 -1.179 -3.148 -2.344 575 2HG2 ILE 74 2HG2 ILE 74 0.596 -3.069 -2.240 576 3HG2 ILE 74 3HG2 ILE 74 -0.187 -4.444 -3.056 577 1HD1 ILE 74 1HD1 ILE 74 -1.829 -0.111 -5.750 578 2HD1 ILE 74 2HD1 ILE 74 -0.441 -1.130 -6.203 579 3HD1 ILE 74 3HD1 ILE 74 -0.195 0.310 -5.186 580 H TYR 75 H TYR 75 2.047 -0.353 -6.128 581 HA TYR 75 HA TYR 75 2.517 1.462 -3.863 582 1HB TYR 75 1HB TYR 75 4.553 0.964 -5.122 583 2HB TYR 75 2HB TYR 75 3.698 0.990 -6.651 584 HD1 TYR 75 HD1 TYR 75 5.282 2.519 -7.683 585 HD2 TYR 75 HD2 TYR 75 3.173 3.629 -4.131 586 HE1 TYR 75 HE1 TYR 75 5.971 4.943 -8.022 587 HE2 TYR 75 HE2 TYR 75 3.868 6.049 -4.482 588 HH TYR 75 HH TYR 75 5.949 7.159 -5.727 589 H PHE 76 H PHE 76 1.121 3.134 -3.658 590 HA PHE 76 HA PHE 76 0.054 4.305 -6.100 591 1HB PHE 76 1HB PHE 76 -2.220 4.326 -4.851 592 2HB PHE 76 2HB PHE 76 -1.696 2.746 -5.400 593 HD1 PHE 76 HD1 PHE 76 -0.198 1.441 -3.599 594 HD2 PHE 76 HD2 PHE 76 -3.004 4.492 -2.693 595 HE1 PHE 76 HE1 PHE 76 -0.398 0.561 -1.258 596 HE2 PHE 76 HE2 PHE 76 -3.204 3.613 -0.351 597 HZ PHE 76 HZ PHE 76 -1.899 1.659 0.338 598 H TYR 77 H TYR 77 -1.487 6.296 -5.242 599 HA TYR 77 HA TYR 77 0.227 7.723 -3.327 600 1HB TYR 77 1HB TYR 77 -0.246 8.320 -5.920 601 2HB TYR 77 2HB TYR 77 -1.782 8.904 -5.308 602 HD1 TYR 77 HD1 TYR 77 1.783 9.170 -4.132 603 HD2 TYR 77 HD2 TYR 77 -1.835 11.211 -5.157 604 HE1 TYR 77 HE1 TYR 77 2.860 11.395 -3.536 605 HE2 TYR 77 HE2 TYR 77 -0.747 13.429 -4.557 606 HH TYR 77 HH TYR 77 2.006 13.657 -2.762 607 H LEU 78 H LEU 78 -0.653 8.006 -1.344 608 HA LEU 78 HA LEU 78 -3.546 7.819 -1.109 609 1HB LEU 78 1HB LEU 78 -1.224 7.559 0.761 610 2HB LEU 78 2HB LEU 78 -2.806 7.956 1.404 611 HG LEU 78 HG LEU 78 -2.030 5.473 -0.144 612 1HD1 LEU 78 1HD1 LEU 78 -1.946 4.372 1.811 613 2HD1 LEU 78 2HD1 LEU 78 -3.327 5.263 2.497 614 3HD1 LEU 78 3HD1 LEU 78 -1.702 5.992 2.506 615 1HD2 LEU 78 1HD2 LEU 78 -4.146 5.650 -0.947 616 2HD2 LEU 78 2HD2 LEU 78 -4.707 6.653 0.413 617 3HD2 LEU 78 3HD2 LEU 78 -4.521 4.893 0.620 618 H GLY 79 H GLY 79 -4.756 9.626 -1.195 619 1HA GLY 79 2HA GLY 79 -5.386 11.773 -0.990 620 2HA GLY 79 1HA GLY 79 -4.297 11.883 0.378 621 H GLN 80 H GLN 80 -1.971 12.382 -0.032 622 HA GLN 80 HA GLN 80 -1.399 13.384 -2.660 623 1HB GLN 80 1HB GLN 80 -2.039 15.138 -0.365 624 2HB GLN 80 2HB GLN 80 -0.501 15.519 -1.113 625 1HG GLN 80 1HG GLN 80 -1.471 16.078 -3.173 626 2HG GLN 80 2HG GLN 80 -2.852 15.025 -2.935 627 1HE2 GLN 80 2HE2 GLN 80 -4.416 16.497 -3.316 628 2HE2 GLN 80 1HE2 GLN 80 -4.762 17.861 -2.306 629 H VAL 81 H VAL 81 -0.419 11.135 -1.168 630 HA VAL 81 HA VAL 81 2.374 11.918 -1.014 631 HB VAL 81 HB VAL 81 1.405 12.117 1.275 632 1HG1 VAL 81 1HG1 VAL 81 1.328 9.330 1.948 633 2HG1 VAL 81 2HG1 VAL 81 0.206 9.627 0.599 634 3HG1 VAL 81 3HG1 VAL 81 0.049 10.557 2.109 635 1HG2 VAL 81 1HG2 VAL 81 3.333 11.373 2.256 636 2HG2 VAL 81 2HG2 VAL 81 3.831 11.274 0.549 637 3HG2 VAL 81 3HG2 VAL 81 3.296 9.809 1.407 638 H ALA 82 H ALA 82 3.819 9.968 -1.076 639 HA ALA 82 HA ALA 82 2.553 7.956 -2.762 640 1HB ALA 82 1HB ALA 82 5.282 9.096 -2.376 641 2HB ALA 82 2HB ALA 82 4.453 8.590 -3.868 642 3HB ALA 82 3HB ALA 82 5.200 7.371 -2.807 643 H ILE 83 H ILE 83 2.634 5.713 -2.298 644 HA ILE 83 HA ILE 83 3.824 4.900 0.208 645 HB ILE 83 HB ILE 83 1.448 5.813 0.607 646 1HG1 ILE 83 1HG1 ILE 83 1.864 3.001 1.599 647 2HG1 ILE 83 2HG1 ILE 83 2.968 4.279 2.068 648 1HG2 ILE 83 1HG2 ILE 83 0.701 3.096 -0.504 649 2HG2 ILE 83 2HG2 ILE 83 0.446 4.640 -1.353 650 3HG2 ILE 83 3HG2 ILE 83 -0.387 4.324 0.189 651 1HD1 ILE 83 1HD1 ILE 83 1.016 3.914 3.660 652 2HD1 ILE 83 2HD1 ILE 83 -0.058 4.513 2.372 653 3HD1 ILE 83 3HD1 ILE 83 1.184 5.583 3.065 654 H LEU 84 H LEU 84 4.942 3.096 -0.276 655 HA LEU 84 HA LEU 84 3.787 1.352 -2.338 656 1HB LEU 84 1HB LEU 84 5.594 1.840 -3.518 657 2HB LEU 84 2HB LEU 84 6.374 2.638 -2.167 658 HG LEU 84 HG LEU 84 7.077 0.375 -1.318 659 1HD1 LEU 84 1HD1 LEU 84 5.808 -0.487 -3.912 660 2HD1 LEU 84 2HD1 LEU 84 5.588 -1.151 -2.276 661 3HD1 LEU 84 3HD1 LEU 84 7.114 -1.427 -3.151 662 1HD2 LEU 84 1HD2 LEU 84 8.936 1.203 -2.236 663 2HD2 LEU 84 2HD2 LEU 84 8.071 1.814 -3.668 664 3HD2 LEU 84 3HD2 LEU 84 8.593 0.113 -3.600 665 H LEU 85 H LEU 85 3.114 -0.557 -1.541 666 HA LEU 85 HA LEU 85 4.471 -1.514 0.885 667 1HB LEU 85 1HB LEU 85 2.129 -0.786 1.205 668 2HB LEU 85 2HB LEU 85 1.611 -1.970 0.019 669 HG LEU 85 HG LEU 85 3.101 -3.461 1.854 670 1HD1 LEU 85 1HD1 LEU 85 1.497 -2.672 3.911 671 2HD1 LEU 85 2HD1 LEU 85 1.914 -1.108 3.169 672 3HD1 LEU 85 3HD1 LEU 85 3.203 -2.208 3.711 673 1HD2 LEU 85 1HD2 LEU 85 0.345 -3.225 0.926 674 2HD2 LEU 85 2HD2 LEU 85 0.461 -3.821 2.599 675 3HD2 LEU 85 3HD2 LEU 85 1.317 -4.670 1.290 676 H PHE 86 H PHE 86 5.359 -3.548 0.860 677 HA PHE 86 HA PHE 86 4.591 -5.383 -1.225 678 1HB PHE 86 1HB PHE 86 6.917 -5.510 -2.106 679 2HB PHE 86 2HB PHE 86 6.356 -3.853 -2.229 680 HD1 PHE 86 HD1 PHE 86 8.568 -6.137 -0.383 681 HD2 PHE 86 HD2 PHE 86 7.365 -2.103 -0.929 682 HE1 PHE 86 HE1 PHE 86 10.568 -5.363 0.920 683 HE2 PHE 86 HE2 PHE 86 9.366 -1.330 0.374 684 HZ PHE 86 HZ PHE 86 10.943 -2.969 1.283 685 H LYS 87 H LYS 87 5.263 -7.562 -0.785 686 HA LYS 87 HA LYS 87 6.345 -7.872 1.930 687 1HB LYS 87 1HB LYS 87 4.284 -8.777 2.215 688 2HB LYS 87 2HB LYS 87 4.067 -9.132 0.513 689 1HG LYS 87 1HG LYS 87 4.278 -11.255 1.652 690 2HG LYS 87 2HG LYS 87 5.762 -11.013 0.750 691 1HD LYS 87 1HD LYS 87 6.844 -10.103 2.848 692 2HD LYS 87 2HD LYS 87 5.374 -10.459 3.730 693 1HE LYS 87 1HE LYS 87 5.896 -12.670 3.904 694 2HE LYS 87 2HE LYS 87 6.253 -12.798 2.194 695 1HZ LYS 87 1HZ LYS 87 8.228 -11.367 3.790 696 H SER 88 H SER 88 8.441 -8.465 1.890 697 HA SER 88 HA SER 88 9.162 -10.413 -0.154 698 1HB SER 88 1HB SER 88 10.128 -8.306 -0.865 699 2HB SER 88 2HB SER 88 10.725 -7.960 0.746 700 HG SER 88 HG SER 88 12.517 -8.762 -0.244 701 H GLY 89 H GLY 89 10.759 -11.999 0.518 702 1HA GLY 89 2HA GLY 89 12.329 -12.779 2.131 703 2HA GLY 89 1HA GLY 89 11.442 -11.941 3.387 Start of MODEL 10 1 1H MET 1 H MET 1 -11.469 17.044 -14.462 2 HA MET 1 HA MET 1 -9.547 15.688 -14.155 3 1HB MET 1 1HB MET 1 -8.298 17.884 -15.889 4 2HB MET 1 2HB MET 1 -7.316 16.766 -14.964 5 1HG MET 1 1HG MET 1 -9.421 15.846 -16.976 6 2HG MET 1 2HG MET 1 -7.742 16.103 -17.406 7 1HE MET 1 1HE MET 1 -7.954 12.293 -17.355 8 2HE MET 1 2HE MET 1 -9.588 12.986 -17.229 9 3HE MET 1 3HE MET 1 -8.370 13.764 -18.266 10 H SER 2 H SER 2 -9.855 16.120 -11.965 11 HA SER 2 HA SER 2 -8.308 18.321 -10.962 12 1HB SER 2 1HB SER 2 -11.244 18.329 -11.022 13 2HB SER 2 2HB SER 2 -10.638 18.461 -9.383 14 HG SER 2 HG SER 2 -9.125 20.177 -10.418 15 H ASP 3 H ASP 3 -7.019 17.382 -9.425 16 HA ASP 3 HA ASP 3 -6.334 16.121 -7.802 17 1HB ASP 3 1HB ASP 3 -9.313 15.811 -7.213 18 2HB ASP 3 2HB ASP 3 -8.063 15.178 -6.161 19 HD2 ASP 3 HD ASP 3 -6.965 17.338 -4.743 20 H ARG 4 H ARG 4 -6.602 13.683 -6.836 21 HA ARG 4 HA ARG 4 -7.565 12.015 -9.016 22 1HB ARG 4 1HB ARG 4 -4.861 12.213 -7.847 23 2HB ARG 4 2HB ARG 4 -5.471 10.571 -7.786 24 1HG ARG 4 1HG ARG 4 -4.473 10.633 -9.913 25 2HG ARG 4 2HG ARG 4 -6.151 10.961 -10.296 26 1HD ARG 4 1HD ARG 4 -5.670 13.056 -11.063 27 2HD ARG 4 2HD ARG 4 -4.722 13.442 -9.640 28 HE ARG 4 HE ARG 4 -3.701 12.480 -12.196 29 1HH1 ARG 4 2HH2 ARG 4 -3.030 12.594 -8.718 30 2HH1 ARG 4 1HH2 ARG 4 -1.319 12.410 -8.917 31 1HH2 ARG 4 1HH ARG 4 -0.409 12.200 -11.124 32 H LYS 5 H LYS 5 -6.658 12.286 -5.526 33 HA LYS 5 HA LYS 5 -7.464 11.337 -3.704 34 1HB LYS 5 1HB LYS 5 -9.840 10.977 -5.528 35 2HB LYS 5 2HB LYS 5 -9.861 10.369 -3.885 36 1HG LYS 5 1HG LYS 5 -9.616 12.546 -2.939 37 2HG LYS 5 2HG LYS 5 -9.021 13.234 -4.437 38 1HD LYS 5 1HD LYS 5 -11.199 14.002 -4.564 39 2HD LYS 5 2HD LYS 5 -11.435 12.449 -5.342 40 1HE LYS 5 1HE LYS 5 -12.866 11.809 -3.703 41 2HE LYS 5 2HE LYS 5 -11.622 12.034 -2.492 42 1HZ LYS 5 1HZ LYS 5 -13.194 13.587 -1.849 43 H ALA 6 H ALA 6 -8.769 8.974 -3.089 44 HA ALA 6 HA ALA 6 -6.854 7.097 -3.177 45 1HB ALA 6 1HB ALA 6 -8.790 6.816 -1.801 46 2HB ALA 6 2HB ALA 6 -8.785 5.444 -2.936 47 3HB ALA 6 3HB ALA 6 -9.880 6.821 -3.209 48 H VAL 7 H VAL 7 -5.661 6.779 -5.051 49 HA VAL 7 HA VAL 7 -7.141 5.481 -7.215 50 HB VAL 7 HB VAL 7 -5.228 7.804 -7.426 51 1HG1 VAL 7 1HG1 VAL 7 -6.043 5.814 -9.564 52 2HG1 VAL 7 2HG1 VAL 7 -4.399 6.250 -9.037 53 3HG1 VAL 7 3HG1 VAL 7 -5.391 7.431 -9.926 54 1HG2 VAL 7 1HG2 VAL 7 -7.936 7.812 -7.276 55 2HG2 VAL 7 2HG2 VAL 7 -7.715 7.654 -9.036 56 3HG2 VAL 7 3HG2 VAL 7 -6.986 9.025 -8.167 57 H ILE 8 H ILE 8 -5.681 4.139 -8.613 58 HA ILE 8 HA ILE 8 -3.334 3.274 -7.071 59 HB ILE 8 HB ILE 8 -5.634 1.773 -8.140 60 1HG1 ILE 8 1HG1 ILE 8 -3.985 0.397 -6.220 61 2HG1 ILE 8 2HG1 ILE 8 -4.208 2.055 -5.704 62 1HG2 ILE 8 1HG2 ILE 8 -2.792 0.880 -8.610 63 2HG2 ILE 8 2HG2 ILE 8 -4.169 0.892 -9.737 64 3HG2 ILE 8 3HG2 ILE 8 -4.123 -0.283 -8.401 65 1HD1 ILE 8 1HD1 ILE 8 -6.560 0.401 -6.686 66 2HD1 ILE 8 2HD1 ILE 8 -6.583 1.865 -5.674 67 3HD1 ILE 8 3HD1 ILE 8 -6.010 0.323 -4.995 68 H LYS 9 H LYS 9 -1.431 2.880 -8.221 69 HA LYS 9 HA LYS 9 -1.483 3.937 -10.938 70 1HB LYS 9 1HB LYS 9 0.453 3.897 -8.713 71 2HB LYS 9 2HB LYS 9 1.158 3.571 -10.283 72 1HG LYS 9 1HG LYS 9 1.232 5.936 -10.130 73 2HG LYS 9 2HG LYS 9 -0.176 5.639 -11.131 74 1HD LYS 9 1HD LYS 9 -0.842 7.271 -9.486 75 2HD LYS 9 2HD LYS 9 -1.611 5.764 -9.027 76 1HE LYS 9 1HE LYS 9 -0.650 5.972 -6.982 77 2HE LYS 9 2HE LYS 9 0.905 5.682 -7.737 78 1HZ LYS 9 1HZ LYS 9 0.661 7.850 -6.465 79 H ASN 10 H ASN 10 0.580 1.417 -9.354 80 HA ASN 10 HA ASN 10 -0.333 -0.413 -11.413 81 1HB ASN 10 1HB ASN 10 2.572 0.238 -10.701 82 2HB ASN 10 2HB ASN 10 2.123 -1.203 -11.592 83 1HD2 ASN 10 2HD2 ASN 10 1.046 -0.990 -13.620 84 2HD2 ASN 10 1HD2 ASN 10 1.280 0.405 -14.618 85 H ALA 11 H ALA 11 -0.867 -2.385 -10.440 86 HA ALA 11 HA ALA 11 0.690 -3.440 -8.301 87 1HB ALA 11 1HB ALA 11 -0.948 -3.337 -6.549 88 2HB ALA 11 2HB ALA 11 -2.176 -2.664 -7.648 89 3HB ALA 11 3HB ALA 11 -0.769 -1.680 -7.177 90 H ASP 12 H ASP 12 0.892 -5.190 -9.780 91 HA ASP 12 HA ASP 12 -1.269 -6.318 -11.076 92 1HB ASP 12 1HB ASP 12 1.342 -7.611 -10.156 93 2HB ASP 12 2HB ASP 12 0.251 -8.313 -11.333 94 HD2 ASP 12 HD ASP 12 0.755 -4.997 -12.778 95 H MET 13 H MET 13 -3.045 -6.806 -9.673 96 HA MET 13 HA MET 13 -2.788 -9.182 -8.184 97 1HB MET 13 1HB MET 13 -2.023 -6.970 -6.739 98 2HB MET 13 2HB MET 13 -3.750 -6.918 -6.442 99 1HG MET 13 1HG MET 13 -3.764 -8.983 -5.304 100 2HG MET 13 2HG MET 13 -2.326 -9.566 -6.119 101 1HE MET 13 1HE MET 13 -2.245 -8.927 -2.123 102 2HE MET 13 2HE MET 13 -3.040 -9.901 -3.383 103 3HE MET 13 3HE MET 13 -1.296 -10.089 -3.081 104 H SER 14 H SER 14 -5.036 -9.374 -6.751 105 HA SER 14 HA SER 14 -7.052 -8.817 -8.738 106 1HB SER 14 1HB SER 14 -6.898 -11.115 -7.889 107 2HB SER 14 2HB SER 14 -7.061 -10.558 -6.235 108 HG SER 14 HG SER 14 -9.094 -11.318 -6.966 109 H GLU 15 H GLU 15 -8.934 -7.561 -8.325 110 HA GLU 15 HA GLU 15 -8.697 -5.388 -6.777 111 1HB GLU 15 1HB GLU 15 -10.558 -6.260 -8.518 112 2HB GLU 15 2HB GLU 15 -11.453 -6.563 -7.042 113 1HG GLU 15 1HG GLU 15 -11.634 -4.307 -6.514 114 2HG GLU 15 2HG GLU 15 -10.087 -3.899 -7.232 115 HE2 GLU 15 HE GLU 15 -13.396 -3.916 -7.814 116 H GLU 16 H GLU 16 -9.397 -8.657 -5.736 117 HA GLU 16 HA GLU 16 -10.803 -8.129 -3.427 118 1HB GLU 16 1HB GLU 16 -9.741 -10.379 -4.716 119 2HB GLU 16 2HB GLU 16 -8.892 -10.360 -3.183 120 1HG GLU 16 1HG GLU 16 -11.922 -10.064 -3.380 121 2HG GLU 16 2HG GLU 16 -11.139 -11.624 -3.231 122 HE2 GLU 16 HE GLU 16 -11.949 -10.314 0.109 123 H MET 17 H MET 17 -7.230 -8.732 -3.816 124 HA MET 17 HA MET 17 -6.782 -7.808 -1.161 125 1HB MET 17 1HB MET 17 -4.654 -8.237 -3.305 126 2HB MET 17 2HB MET 17 -4.500 -8.484 -1.578 127 1HG MET 17 1HG MET 17 -6.011 -10.210 -3.579 128 2HG MET 17 2HG MET 17 -4.680 -10.683 -2.543 129 1HE MET 17 1HE MET 17 -7.312 -12.779 -0.764 130 2HE MET 17 2HE MET 17 -6.996 -12.591 -2.506 131 3HE MET 17 3HE MET 17 -5.639 -12.656 -1.355 132 H GLN 18 H GLN 18 -6.456 -6.549 -4.498 133 HA GLN 18 HA GLN 18 -4.885 -4.357 -3.864 134 1HB GLN 18 1HB GLN 18 -5.096 -4.999 -6.164 135 2HB GLN 18 2HB GLN 18 -6.847 -4.937 -6.110 136 1HG GLN 18 1HG GLN 18 -6.726 -2.451 -5.728 137 2HG GLN 18 2HG GLN 18 -4.979 -2.533 -5.845 138 1HE2 GLN 18 2HE2 GLN 18 -4.235 -3.876 -7.844 139 2HE2 GLN 18 1HE2 GLN 18 -4.949 -3.425 -9.357 140 H GLN 19 H GLN 19 -8.478 -4.772 -4.065 141 HA GLN 19 HA GLN 19 -8.973 -2.082 -3.412 142 1HB GLN 19 1HB GLN 19 -10.507 -3.797 -4.621 143 2HB GLN 19 2HB GLN 19 -10.918 -4.384 -3.023 144 1HG GLN 19 1HG GLN 19 -11.407 -1.614 -4.182 145 2HG GLN 19 2HG GLN 19 -12.592 -2.749 -3.567 146 1HE2 GLN 19 2HE2 GLN 19 -11.219 0.066 -2.928 147 2HE2 GLN 19 1HE2 GLN 19 -11.199 0.095 -1.197 148 H ASP 20 H ASP 20 -9.031 -5.193 -1.557 149 HA ASP 20 HA ASP 20 -9.952 -4.199 0.802 150 1HB ASP 20 1HB ASP 20 -9.552 -6.612 0.283 151 2HB ASP 20 2HB ASP 20 -7.822 -6.344 0.353 152 HD2 ASP 20 HD ASP 20 -10.258 -7.499 2.044 153 H ALA 21 H ALA 21 -6.587 -4.397 -0.528 154 HA ALA 21 HA ALA 21 -5.326 -3.374 1.780 155 1HB ALA 21 1HB ALA 21 -4.045 -4.672 0.237 156 2HB ALA 21 2HB ALA 21 -3.432 -3.008 0.099 157 3HB ALA 21 3HB ALA 21 -4.535 -3.655 -1.138 158 H VAL 22 H VAL 22 -5.554 -1.795 -1.482 159 HA VAL 22 HA VAL 22 -4.944 0.716 -0.767 160 HB VAL 22 HB VAL 22 -5.758 -0.471 -3.009 161 1HG1 VAL 22 1HG1 VAL 22 -8.096 1.361 -2.427 162 2HG1 VAL 22 2HG1 VAL 22 -8.162 -0.398 -2.164 163 3HG1 VAL 22 3HG1 VAL 22 -7.875 0.248 -3.798 164 1HG2 VAL 22 1HG2 VAL 22 -6.193 2.147 -3.714 165 2HG2 VAL 22 2HG2 VAL 22 -4.595 1.381 -3.543 166 3HG2 VAL 22 3HG2 VAL 22 -5.281 2.321 -2.195 167 H ASP 23 H ASP 23 -7.936 -1.050 -0.029 168 HA ASP 23 HA ASP 23 -9.466 1.173 0.627 169 1HB ASP 23 1HB ASP 23 -10.564 -0.942 0.303 170 2HB ASP 23 2HB ASP 23 -9.518 -1.751 1.455 171 HD2 ASP 23 HD ASP 23 -9.850 -1.013 3.708 172 H CYS 24 H CYS 24 -7.694 -1.254 2.702 173 HA CYS 24 HA CYS 24 -8.117 -0.045 5.120 174 1HB CYS 24 1HB CYS 24 -5.704 -1.646 4.209 175 2HB CYS 24 2HB CYS 24 -6.074 -1.259 5.876 176 HG CYS 24 HG CYS 24 -8.758 -2.150 5.227 177 H ALA 25 H ALA 25 -5.435 0.409 2.714 178 HA ALA 25 HA ALA 25 -3.981 2.266 4.182 179 1HB ALA 25 1HB ALA 25 -4.303 1.922 1.174 180 2HB ALA 25 2HB ALA 25 -3.126 1.080 2.211 181 3HB ALA 25 3HB ALA 25 -3.004 2.840 1.972 182 H THR 26 H THR 26 -6.615 2.712 1.731 183 HA THR 26 HA THR 26 -6.627 5.459 1.647 184 HB THR 26 HB THR 26 -8.782 3.316 1.391 185 HG1 THR 26 HG1 THR 26 -7.148 3.465 -0.263 186 1HG2 THR 26 1HG2 THR 26 -9.239 5.964 0.116 187 2HG2 THR 26 2HG2 THR 26 -9.411 5.985 1.888 188 3HG2 THR 26 3HG2 THR 26 -10.406 4.879 0.911 189 H GLN 27 H GLN 27 -8.683 3.405 3.824 190 HA GLN 27 HA GLN 27 -9.671 5.565 5.223 191 1HB GLN 27 1HB GLN 27 -10.445 3.085 5.177 192 2HB GLN 27 2HB GLN 27 -9.248 2.806 6.428 193 1HG GLN 27 1HG GLN 27 -10.337 4.719 7.752 194 2HG GLN 27 2HG GLN 27 -11.620 4.722 6.559 195 1HE2 GLN 27 2HE2 GLN 27 -12.661 4.304 8.781 196 2HE2 GLN 27 1HE2 GLN 27 -12.979 2.648 9.182 197 H ALA 28 H ALA 28 -6.660 3.675 5.569 198 HA ALA 28 HA ALA 28 -5.916 4.348 8.117 199 1HB ALA 28 1HB ALA 28 -3.719 3.749 7.432 200 2HB ALA 28 2HB ALA 28 -4.015 4.268 5.755 201 3HB ALA 28 3HB ALA 28 -4.806 2.804 6.387 202 H LEU 29 H LEU 29 -5.069 6.131 5.058 203 HA LEU 29 HA LEU 29 -3.970 8.312 6.461 204 1HB LEU 29 1HB LEU 29 -3.279 7.783 4.231 205 2HB LEU 29 2HB LEU 29 -4.911 7.953 3.618 206 HG LEU 29 HG LEU 29 -3.724 10.342 4.945 207 1HD1 LEU 29 1HD1 LEU 29 -1.789 9.750 3.740 208 2HD1 LEU 29 2HD1 LEU 29 -2.626 10.955 2.732 209 3HD1 LEU 29 3HD1 LEU 29 -2.728 9.225 2.321 210 1HD2 LEU 29 1HD2 LEU 29 -5.494 9.859 2.538 211 2HD2 LEU 29 2HD2 LEU 29 -4.879 11.462 3.011 212 3HD2 LEU 29 3HD2 LEU 29 -5.944 10.558 4.114 213 H GLU 30 H GLU 30 -7.245 7.422 5.404 214 HA GLU 30 HA GLU 30 -8.297 10.009 5.676 215 1HB GLU 30 1HB GLU 30 -9.189 7.575 4.672 216 2HB GLU 30 2HB GLU 30 -10.172 7.759 6.112 217 1HG GLU 30 1HG GLU 30 -11.446 8.887 4.475 218 2HG GLU 30 2HG GLU 30 -10.602 10.201 5.272 219 HE2 GLU 30 HE GLU 30 -11.123 8.680 2.424 220 H LYS 31 H LYS 31 -7.015 7.897 7.966 221 HA LYS 31 HA LYS 31 -8.721 9.054 10.059 222 1HB LYS 31 1HB LYS 31 -9.269 6.774 10.070 223 2HB LYS 31 2HB LYS 31 -7.623 6.267 9.753 224 1HG LYS 31 1HG LYS 31 -6.920 6.658 11.970 225 2HG LYS 31 2HG LYS 31 -8.184 7.832 12.278 226 1HD LYS 31 1HD LYS 31 -8.658 4.837 11.894 227 2HD LYS 31 2HD LYS 31 -8.567 5.637 13.451 228 1HE LYS 31 1HE LYS 31 -10.773 6.134 13.303 229 2HE LYS 31 2HE LYS 31 -10.439 7.150 11.916 230 1HZ LYS 31 1HZ LYS 31 -11.175 4.284 11.888 231 H TYR 32 H TYR 32 -5.452 8.024 8.985 232 HA TYR 32 HA TYR 32 -4.313 9.440 11.278 233 1HB TYR 32 1HB TYR 32 -3.458 7.399 9.167 234 2HB TYR 32 2HB TYR 32 -2.216 8.303 10.009 235 HD1 TYR 32 HD1 TYR 32 -1.751 7.907 12.373 236 HD2 TYR 32 HD2 TYR 32 -4.833 5.740 10.347 237 HE1 TYR 32 HE1 TYR 32 -1.847 6.239 14.290 238 HE2 TYR 32 HE2 TYR 32 -4.919 4.079 12.271 239 HH TYR 32 HH TYR 32 -3.752 3.321 14.045 240 H ASN 33 H ASN 33 -1.863 10.226 10.329 241 HA ASN 33 HA ASN 33 -2.426 11.825 7.983 242 1HB ASN 33 1HB ASN 33 -2.661 12.962 10.483 243 2HB ASN 33 2HB ASN 33 -0.953 13.222 10.193 244 1HD2 ASN 33 2HD2 ASN 33 -2.953 15.216 10.411 245 2HD2 ASN 33 1HD2 ASN 33 -3.049 16.084 8.916 246 H ILE 34 H ILE 34 -0.125 10.758 10.569 247 HA ILE 34 HA ILE 34 2.210 11.425 9.133 248 HB ILE 34 HB ILE 34 1.796 9.464 11.393 249 1HG1 ILE 34 1HG1 ILE 34 2.871 12.209 11.838 250 2HG1 ILE 34 2HG1 ILE 34 1.152 12.070 11.528 251 1HG2 ILE 34 1HG2 ILE 34 4.362 10.813 11.284 252 2HG2 ILE 34 2HG2 ILE 34 4.055 9.864 9.810 253 3HG2 ILE 34 3HG2 ILE 34 3.984 9.079 11.405 254 1HD1 ILE 34 1HD1 ILE 34 0.736 11.062 13.540 255 2HD1 ILE 34 2HD1 ILE 34 2.320 11.732 14.000 256 3HD1 ILE 34 3HD1 ILE 34 2.195 10.047 13.439 257 H GLU 35 H GLU 35 1.917 10.633 6.984 258 HA GLU 35 HA GLU 35 1.076 8.326 6.098 259 1HB GLU 35 1HB GLU 35 3.729 9.570 5.247 260 2HB GLU 35 2HB GLU 35 2.773 8.462 4.283 261 1HG GLU 35 1HG GLU 35 1.388 10.123 3.586 262 2HG GLU 35 2HG GLU 35 1.106 10.671 5.227 263 HE2 GLU 35 HE GLU 35 3.995 10.640 3.226 264 H LYS 36 H LYS 36 4.229 8.805 7.770 265 HA LYS 36 HA LYS 36 5.348 6.339 7.332 266 1HB LYS 36 1HB LYS 36 5.771 8.598 9.044 267 2HB LYS 36 2HB LYS 36 5.922 7.144 10.010 268 1HG LYS 36 1HG LYS 36 7.401 6.234 8.045 269 2HG LYS 36 2HG LYS 36 7.474 7.900 7.506 270 1HD LYS 36 1HD LYS 36 8.583 8.626 9.502 271 2HD LYS 36 2HD LYS 36 8.141 7.175 10.382 272 1HE LYS 36 1HE LYS 36 9.879 5.943 9.500 273 2HE LYS 36 2HE LYS 36 9.731 6.670 7.912 274 1HZ LYS 36 1HZ LYS 36 10.898 8.613 8.697 275 H ASP 37 H ASP 37 3.146 7.342 10.043 276 HA ASP 37 HA ASP 37 3.043 4.782 11.122 277 1HB ASP 37 1HB ASP 37 2.001 7.362 11.696 278 2HB ASP 37 2HB ASP 37 0.593 6.332 11.548 279 HD2 ASP 37 HD ASP 37 0.973 4.411 14.035 280 H ILE 38 H ILE 38 1.340 6.465 8.497 281 HA ILE 38 HA ILE 38 -0.944 4.840 8.384 282 HB ILE 38 HB ILE 38 0.427 6.409 6.198 283 1HG1 ILE 38 1HG1 ILE 38 -1.566 7.224 8.322 284 2HG1 ILE 38 2HG1 ILE 38 0.022 7.899 8.015 285 1HG2 ILE 38 1HG2 ILE 38 -1.316 6.016 4.843 286 2HG2 ILE 38 2HG2 ILE 38 -2.501 6.093 6.168 287 3HG2 ILE 38 3HG2 ILE 38 -1.581 4.595 5.882 288 1HD1 ILE 38 1HD1 ILE 38 -1.905 7.937 5.717 289 2HD1 ILE 38 2HD1 ILE 38 -0.692 9.146 6.202 290 3HD1 ILE 38 3HD1 ILE 38 -2.240 9.039 7.073 291 H ALA 39 H ALA 39 2.277 4.669 6.751 292 HA ALA 39 HA ALA 39 1.635 2.384 5.238 293 1HB ALA 39 1HB ALA 39 3.567 4.170 5.061 294 2HB ALA 39 2HB ALA 39 3.860 2.490 4.551 295 3HB ALA 39 3HB ALA 39 4.433 3.050 6.140 296 H ALA 40 H ALA 40 3.016 2.922 8.513 297 HA ALA 40 HA ALA 40 3.722 0.229 8.947 298 1HB ALA 40 1HB ALA 40 3.861 0.962 11.317 299 2HB ALA 40 2HB ALA 40 3.059 2.490 10.880 300 3HB ALA 40 3HB ALA 40 4.666 2.108 10.219 301 H TYR 41 H TYR 41 0.701 2.088 9.187 302 HA TYR 41 HA TYR 41 -0.663 0.190 10.798 303 1HB TYR 41 1HB TYR 41 -1.478 2.471 10.679 304 2HB TYR 41 2HB TYR 41 -1.268 2.541 8.940 305 HD1 TYR 41 HD1 TYR 41 -2.841 1.029 7.507 306 HD2 TYR 41 HD2 TYR 41 -3.596 2.049 11.593 307 HE1 TYR 41 HE1 TYR 41 -5.305 0.482 7.195 308 HE2 TYR 41 HE2 TYR 41 -6.057 1.500 11.267 309 HH TYR 41 HH TYR 41 -7.623 1.063 9.802 310 H ILE 42 H ILE 42 -0.272 0.729 7.262 311 HA ILE 42 HA ILE 42 -2.255 -1.114 6.501 312 HB ILE 42 HB ILE 42 0.165 -0.078 5.020 313 1HG1 ILE 42 1HG1 ILE 42 -2.656 0.907 4.669 314 2HG1 ILE 42 2HG1 ILE 42 -1.668 1.533 5.975 315 1HG2 ILE 42 1HG2 ILE 42 -1.233 -2.245 4.269 316 2HG2 ILE 42 2HG2 ILE 42 -0.547 -1.073 3.117 317 3HG2 ILE 42 3HG2 ILE 42 -2.265 -0.973 3.570 318 1HD1 ILE 42 1HD1 ILE 42 -0.274 1.412 3.349 319 2HD1 ILE 42 2HD1 ILE 42 -0.312 2.718 4.561 320 3HD1 ILE 42 3HD1 ILE 42 -1.658 2.530 3.411 321 H LYS 43 H LYS 43 1.361 -1.378 6.724 322 HA LYS 43 HA LYS 43 1.522 -4.034 6.000 323 1HB LYS 43 1HB LYS 43 3.470 -2.640 6.082 324 2HB LYS 43 2HB LYS 43 3.262 -2.326 7.793 325 1HG LYS 43 1HG LYS 43 3.343 -5.049 7.868 326 2HG LYS 43 2HG LYS 43 4.300 -4.788 6.423 327 1HD LYS 43 1HD LYS 43 5.913 -4.743 8.156 328 2HD LYS 43 2HD LYS 43 5.633 -3.044 7.826 329 1HE LYS 43 1HE LYS 43 3.667 -3.663 9.737 330 2HE LYS 43 2HE LYS 43 5.050 -4.600 10.268 331 1HZ LYS 43 1HZ LYS 43 5.067 -1.679 9.719 332 H LYS 44 H LYS 44 1.028 -2.540 9.255 333 HA LYS 44 HA LYS 44 1.028 -4.982 10.634 334 1HB LYS 44 1HB LYS 44 1.429 -3.101 11.941 335 2HB LYS 44 2HB LYS 44 0.120 -2.181 11.228 336 1HG LYS 44 1HG LYS 44 -1.525 -3.787 12.298 337 2HG LYS 44 2HG LYS 44 -0.181 -4.586 13.090 338 1HD LYS 44 1HD LYS 44 -0.853 -1.622 13.408 339 2HD LYS 44 2HD LYS 44 -1.332 -2.869 14.542 340 1HE LYS 44 1HE LYS 44 1.576 -2.341 13.772 341 2HE LYS 44 2HE LYS 44 0.801 -1.598 15.158 342 1HZ LYS 44 1HZ LYS 44 2.020 -3.722 15.646 343 H GLU 45 H GLU 45 -1.509 -3.092 8.947 344 HA GLU 45 HA GLU 45 -3.701 -4.373 9.930 345 1HB GLU 45 1HB GLU 45 -3.517 -2.369 8.301 346 2HB GLU 45 2HB GLU 45 -3.411 -3.555 7.016 347 1HG GLU 45 1HG GLU 45 -5.707 -3.263 9.009 348 2HG GLU 45 2HG GLU 45 -5.751 -2.828 7.312 349 HE2 GLU 45 HE GLU 45 -6.721 -5.444 6.143 350 H PHE 46 H PHE 46 -1.819 -5.217 6.931 351 HA PHE 46 HA PHE 46 -3.269 -7.623 6.553 352 1HB PHE 46 1HB PHE 46 -0.895 -6.123 5.446 353 2HB PHE 46 2HB PHE 46 -0.887 -7.848 5.140 354 HD1 PHE 46 HD1 PHE 46 -3.975 -5.844 5.333 355 HD2 PHE 46 HD2 PHE 46 -1.146 -7.704 2.774 356 HE1 PHE 46 HE1 PHE 46 -5.518 -5.506 3.383 357 HE2 PHE 46 HE2 PHE 46 -2.690 -7.365 0.823 358 HZ PHE 46 HZ PHE 46 -4.857 -6.271 1.150 359 H ASP 47 H ASP 47 -0.026 -6.775 7.909 360 HA ASP 47 HA ASP 47 1.011 -9.243 8.169 361 1HB ASP 47 1HB ASP 47 1.186 -6.699 9.755 362 2HB ASP 47 2HB ASP 47 1.837 -8.133 10.523 363 HD2 ASP 47 HD ASP 47 4.788 -7.453 8.927 364 H LYS 48 H LYS 48 -1.696 -7.744 9.885 365 HA LYS 48 HA LYS 48 -1.797 -9.016 12.266 366 1HB LYS 48 1HB LYS 48 -4.013 -8.317 10.328 367 2HB LYS 48 2HB LYS 48 -4.326 -8.926 11.940 368 1HG LYS 48 1HG LYS 48 -2.363 -6.862 12.232 369 2HG LYS 48 2HG LYS 48 -3.569 -6.239 11.124 370 1HD LYS 48 1HD LYS 48 -5.146 -6.056 12.764 371 2HD LYS 48 2HD LYS 48 -4.807 -7.658 13.389 372 1HE LYS 48 1HE LYS 48 -2.518 -6.167 14.093 373 2HE LYS 48 2HE LYS 48 -3.840 -5.044 14.340 374 1HZ LYS 48 1HZ LYS 48 -4.914 -6.636 15.782 375 H LYS 49 H LYS 49 -3.992 -10.317 9.737 376 HA LYS 49 HA LYS 49 -2.821 -12.959 10.186 377 1HB LYS 49 1HB LYS 49 -5.131 -13.898 10.380 378 2HB LYS 49 2HB LYS 49 -4.621 -12.928 11.747 379 1HG LYS 49 1HG LYS 49 -6.306 -11.438 11.426 380 2HG LYS 49 2HG LYS 49 -5.886 -11.226 9.739 381 1HD LYS 49 1HD LYS 49 -7.018 -13.730 9.646 382 2HD LYS 49 2HD LYS 49 -7.920 -13.032 10.976 383 1HE LYS 49 1HE LYS 49 -7.689 -11.087 8.807 384 2HE LYS 49 2HE LYS 49 -8.333 -12.595 8.188 385 1HZ LYS 49 1HZ LYS 49 -9.478 -10.856 10.268 386 H TYR 50 H TYR 50 -1.857 -12.178 8.060 387 HA TYR 50 HA TYR 50 -3.691 -12.985 5.923 388 1HB TYR 50 1HB TYR 50 -3.227 -10.385 6.331 389 2HB TYR 50 2HB TYR 50 -1.617 -10.731 5.730 390 HD1 TYR 50 HD1 TYR 50 -4.452 -9.239 4.733 391 HD2 TYR 50 HD2 TYR 50 -1.963 -12.486 3.483 392 HE1 TYR 50 HE1 TYR 50 -5.279 -8.962 2.345 393 HE2 TYR 50 HE2 TYR 50 -2.799 -12.198 1.099 394 HH TYR 50 HH TYR 50 -3.886 -10.869 -0.277 395 H ASN 51 H ASN 51 -0.274 -11.784 6.237 396 HA ASN 51 HA ASN 51 0.850 -14.296 5.946 397 1HB ASN 51 1HB ASN 51 -0.209 -13.721 3.551 398 2HB ASN 51 2HB ASN 51 1.209 -12.707 3.384 399 1HD2 ASN 51 2HD2 ASN 51 0.116 -15.455 2.378 400 2HD2 ASN 51 1HD2 ASN 51 1.506 -16.487 2.401 401 HA PRO 52 HA PRO 52 3.453 -10.677 7.025 402 1HB PRO 52 1HB PRO 52 4.093 -11.405 9.581 403 2HB PRO 52 2HB PRO 52 2.760 -10.335 9.194 404 1HG PRO 52 1HG PRO 52 2.679 -13.174 10.015 405 2HG PRO 52 2HG PRO 52 1.390 -11.988 10.039 406 1HD PRO 52 1HD PRO 52 1.748 -14.096 8.127 407 2HD PRO 52 2HD PRO 52 0.527 -12.839 8.086 408 H THR 53 H THR 53 6.752 -11.729 7.058 409 HA THR 53 HA THR 53 4.707 -9.827 7.950 410 HB THR 53 HB THR 53 6.774 -10.124 9.333 411 HG1 THR 53 HG1 THR 53 6.729 -7.681 7.707 412 1HG2 THR 53 1HG2 THR 53 8.216 -8.947 6.902 413 2HG2 THR 53 2HG2 THR 53 8.341 -10.656 7.384 414 3HG2 THR 53 3HG2 THR 53 8.942 -9.381 8.471 415 H TRP 54 H TRP 54 4.525 -7.724 6.977 416 HA TRP 54 HA TRP 54 5.180 -7.863 4.122 417 1HB TRP 54 1HB TRP 54 3.087 -6.250 5.593 418 2HB TRP 54 2HB TRP 54 3.402 -6.162 3.871 419 HD1 TRP 54 HD TRP 54 2.376 -8.948 6.424 420 HE1 TRP 54 HE1 TRP 54 0.703 -10.653 5.301 421 HE3 TRP 54 HE3 TRP 54 2.473 -6.813 1.811 422 HZ2 TRP 54 HZ2 TRP 54 -0.368 -10.911 2.668 423 HZ3 TRP 54 HZ3 TRP 54 1.085 -7.854 0.019 424 HH2 TRP 54 HH TRP 54 -0.301 -9.833 0.389 425 H HIS 55 H HIS 55 5.576 -5.531 3.174 426 HA HIS 55 HA HIS 55 6.977 -3.864 5.098 427 1HB HIS 55 1HB HIS 55 8.233 -5.027 2.601 428 2HB HIS 55 2HB HIS 55 8.901 -3.670 3.483 429 HD1 HIS 55 HD1 HIS 55 9.937 -4.149 5.854 430 HD2 HIS 55 HD2 HIS 55 8.595 -7.552 3.801 431 HE1 HIS 55 HE1 HIS 55 10.925 -6.159 7.078 432 H CYS 56 H CYS 56 6.149 -1.852 4.887 433 HA CYS 56 HA CYS 56 5.172 -1.123 2.223 434 1HB CYS 56 1HB CYS 56 3.478 -1.293 4.118 435 2HB CYS 56 2HB CYS 56 4.267 0.093 4.846 436 HG CYS 56 HG CYS 56 3.565 0.154 1.649 437 H ILE 57 H ILE 57 5.825 0.937 1.384 438 HA ILE 57 HA ILE 57 7.771 2.385 3.030 439 HB ILE 57 HB ILE 57 8.086 1.438 0.188 440 1HG1 ILE 57 1HG1 ILE 57 8.776 -0.125 1.954 441 2HG1 ILE 57 2HG1 ILE 57 10.134 0.435 0.999 442 1HG2 ILE 57 1HG2 ILE 57 10.236 2.785 0.248 443 2HG2 ILE 57 2HG2 ILE 57 9.541 3.654 1.637 444 3HG2 ILE 57 3HG2 ILE 57 8.726 3.706 0.056 445 1HD1 ILE 57 1HD1 ILE 57 10.960 0.651 3.186 446 2HD1 ILE 57 2HD1 ILE 57 9.385 1.162 3.837 447 3HD1 ILE 57 3HD1 ILE 57 10.357 2.296 2.867 448 H VAL 58 H VAL 58 7.925 4.675 2.547 449 HA VAL 58 HA VAL 58 5.778 5.674 0.833 450 HB VAL 58 HB VAL 58 5.141 5.504 3.308 451 1HG1 VAL 58 1HG1 VAL 58 6.336 6.557 4.873 452 2HG1 VAL 58 2HG1 VAL 58 6.295 8.085 3.960 453 3HG1 VAL 58 3HG1 VAL 58 7.566 6.885 3.629 454 1HG2 VAL 58 1HG2 VAL 58 4.487 7.321 1.291 455 2HG2 VAL 58 2HG2 VAL 58 4.764 8.335 2.728 456 3HG2 VAL 58 3HG2 VAL 58 3.574 7.013 2.788 457 H GLY 59 H GLY 59 6.111 8.325 0.948 458 1HA GLY 59 2HA GLY 59 8.083 9.859 1.245 459 2HA GLY 59 1HA GLY 59 8.968 8.688 0.285 460 H ARG 60 H ARG 60 9.164 9.212 -1.842 461 HA ARG 60 HA ARG 60 6.841 10.116 -3.224 462 1HB ARG 60 1HB ARG 60 8.695 12.054 -2.233 463 2HB ARG 60 2HB ARG 60 9.016 11.932 -3.952 464 1HG ARG 60 1HG ARG 60 6.549 12.242 -4.401 465 2HG ARG 60 2HG ARG 60 6.289 12.458 -2.681 466 1HD ARG 60 1HD ARG 60 6.505 14.686 -3.382 467 2HD ARG 60 2HD ARG 60 8.150 14.333 -2.891 468 HE ARG 60 HE ARG 60 7.599 13.714 -5.710 469 1HH1 ARG 60 2HH2 ARG 60 8.670 16.210 -3.434 470 2HH1 ARG 60 1HH2 ARG 60 9.501 17.130 -4.643 471 1HH2 ARG 60 1HH ARG 60 9.502 16.359 -6.911 472 H ASN 61 H ASN 61 8.925 7.870 -3.105 473 HA ASN 61 HA ASN 61 9.673 8.054 -5.912 474 1HB ASN 61 1HB ASN 61 11.783 6.815 -5.372 475 2HB ASN 61 2HB ASN 61 11.723 8.361 -4.549 476 1HD2 ASN 61 2HD2 ASN 61 13.077 5.758 -3.980 477 2HD2 ASN 61 1HD2 ASN 61 12.663 5.348 -2.349 478 H PHE 62 H PHE 62 10.242 5.662 -6.720 479 HA PHE 62 HA PHE 62 8.951 3.583 -5.208 480 1HB PHE 62 1HB PHE 62 6.974 4.370 -6.320 481 2HB PHE 62 2HB PHE 62 7.874 4.918 -7.721 482 HD1 PHE 62 HD1 PHE 62 7.267 1.672 -5.960 483 HD2 PHE 62 HD2 PHE 62 7.487 3.744 -9.656 484 HE1 PHE 62 HE1 PHE 62 6.653 -0.436 -7.178 485 HE2 PHE 62 HE2 PHE 62 6.873 1.638 -10.875 486 HZ PHE 62 HZ PHE 62 6.463 -0.426 -9.620 487 H GLY 63 H GLY 63 10.959 2.495 -5.241 488 1HA GLY 63 2HA GLY 63 11.734 1.494 -7.910 489 2HA GLY 63 1HA GLY 63 12.928 2.093 -6.777 490 H SER 64 H SER 64 10.299 -0.354 -7.174 491 HA SER 64 HA SER 64 11.899 -2.378 -6.152 492 1HB SER 64 1HB SER 64 10.311 -2.816 -4.096 493 2HB SER 64 2HB SER 64 11.653 -1.703 -3.934 494 HG SER 64 HG SER 64 10.053 0.033 -4.531 495 H TYR 65 H TYR 65 11.000 -3.076 -8.267 496 HA TYR 65 HA TYR 65 8.615 -4.619 -7.892 497 1HB TYR 65 1HB TYR 65 8.126 -2.071 -8.620 498 2HB TYR 65 2HB TYR 65 8.728 -2.590 -10.182 499 HD1 TYR 65 HD1 TYR 65 5.841 -2.199 -8.229 500 HD2 TYR 65 HD2 TYR 65 7.597 -4.846 -11.096 501 HE1 TYR 65 HE1 TYR 65 3.537 -3.092 -8.827 502 HE2 TYR 65 HE2 TYR 65 5.286 -5.729 -11.684 503 HH TYR 65 HH TYR 65 2.790 -5.570 -9.901 504 H VAL 66 H VAL 66 11.003 -3.222 -10.227 505 HA VAL 66 HA VAL 66 11.168 -5.906 -11.414 506 HB VAL 66 HB VAL 66 11.699 -3.318 -12.862 507 1HG1 VAL 66 1HG1 VAL 66 12.285 -5.931 -13.519 508 2HG1 VAL 66 2HG1 VAL 66 12.113 -4.584 -14.671 509 3HG1 VAL 66 3HG1 VAL 66 10.733 -5.662 -14.349 510 1HG2 VAL 66 1HG2 VAL 66 9.401 -3.165 -12.159 511 2HG2 VAL 66 2HG2 VAL 66 9.085 -4.845 -12.654 512 3HG2 VAL 66 3HG2 VAL 66 9.429 -3.604 -13.883 513 H THR 67 H THR 67 12.677 -5.758 -9.283 514 HA THR 67 HA THR 67 15.349 -5.491 -10.368 515 HB THR 67 HB THR 67 14.210 -3.749 -8.142 516 HG1 THR 67 HG1 THR 67 14.904 -2.228 -9.648 517 1HG2 THR 67 1HG2 THR 67 17.151 -4.363 -8.750 518 2HG2 THR 67 2HG2 THR 67 16.306 -4.757 -7.234 519 3HG2 THR 67 3HG2 THR 67 16.575 -3.057 -7.687 520 H HIS 68 H HIS 68 13.639 -5.886 -7.187 521 HA HIS 68 HA HIS 68 15.279 -8.285 -6.839 522 1HB HIS 68 1HB HIS 68 14.300 -6.167 -5.004 523 2HB HIS 68 2HB HIS 68 14.264 -7.800 -4.372 524 HD1 HIS 68 HD1 HIS 68 16.817 -9.068 -5.239 525 HD2 HIS 68 HD2 HIS 68 16.618 -5.018 -4.166 526 HE1 HIS 68 HE1 HIS 68 19.189 -8.381 -4.596 527 H GLU 69 H GLU 69 11.994 -6.940 -6.994 528 HA GLU 69 HA GLU 69 10.036 -7.867 -7.130 529 1HB GLU 69 1HB GLU 69 11.654 -10.348 -7.838 530 2HB GLU 69 2HB GLU 69 9.903 -10.316 -7.898 531 1HG GLU 69 1HG GLU 69 10.415 -8.053 -9.326 532 2HG GLU 69 2HG GLU 69 11.894 -8.928 -9.669 533 HE2 GLU 69 HE GLU 69 10.776 -11.228 -11.556 534 H THR 70 H THR 70 8.427 -9.088 -5.890 535 HA THR 70 HA THR 70 9.517 -10.485 -3.553 536 HB THR 70 HB THR 70 8.199 -9.124 -2.055 537 HG1 THR 70 HG1 THR 70 6.270 -8.719 -3.118 538 1HG2 THR 70 1HG2 THR 70 9.241 -7.058 -2.254 539 2HG2 THR 70 2HG2 THR 70 8.807 -6.899 -3.973 540 3HG2 THR 70 3HG2 THR 70 10.194 -7.908 -3.494 541 H ARG 71 H ARG 71 6.685 -10.496 -2.462 542 HA ARG 71 HA ARG 71 5.871 -12.711 -4.128 543 1HB ARG 71 1HB ARG 71 5.354 -11.880 -1.261 544 2HB ARG 71 2HB ARG 71 4.201 -12.948 -2.039 545 1HG ARG 71 1HG ARG 71 7.062 -13.711 -2.420 546 2HG ARG 71 2HG ARG 71 6.493 -13.798 -0.764 547 1HD ARG 71 1HD ARG 71 4.613 -15.261 -1.444 548 2HD ARG 71 2HD ARG 71 5.066 -15.107 -3.130 549 HE ARG 71 HE ARG 71 7.360 -16.038 -1.734 550 1HH1 ARG 71 2HH2 ARG 71 4.109 -17.191 -2.545 551 2HH1 ARG 71 1HH2 ARG 71 4.565 -18.862 -2.538 552 1HH2 ARG 71 1HH ARG 71 6.836 -19.457 -2.053 553 H HIS 72 H HIS 72 4.288 -10.021 -2.235 554 HA HIS 72 HA HIS 72 2.567 -9.555 -4.530 555 1HB HIS 72 1HB HIS 72 1.688 -10.479 -1.826 556 2HB HIS 72 2HB HIS 72 0.704 -9.278 -2.640 557 HD1 HIS 72 HD1 HIS 72 0.079 -10.033 -5.287 558 HD2 HIS 72 HD2 HIS 72 1.028 -13.036 -2.514 559 HE1 HIS 72 HE1 HIS 72 -0.854 -12.209 -6.240 560 H PHE 73 H PHE 73 2.747 -7.436 -5.034 561 HA PHE 73 HA PHE 73 3.084 -5.576 -2.791 562 1HB PHE 73 1HB PHE 73 4.407 -4.328 -4.803 563 2HB PHE 73 2HB PHE 73 5.226 -5.495 -3.785 564 HD1 PHE 73 HD1 PHE 73 2.878 -5.891 -6.666 565 HD2 PHE 73 HD2 PHE 73 6.722 -6.695 -5.060 566 HE1 PHE 73 HE1 PHE 73 3.434 -7.267 -8.689 567 HE2 PHE 73 HE2 PHE 73 7.280 -8.070 -7.084 568 HZ PHE 73 HZ PHE 73 5.630 -8.340 -8.874 569 H ILE 74 H ILE 74 2.559 -3.236 -3.503 570 HA ILE 74 HA ILE 74 0.846 -2.961 -5.766 571 HB ILE 74 HB ILE 74 -0.889 -3.900 -4.628 572 1HG1 ILE 74 1HG1 ILE 74 -0.963 -0.994 -3.770 573 2HG1 ILE 74 2HG1 ILE 74 -1.515 -1.638 -5.303 574 1HG2 ILE 74 1HG2 ILE 74 0.299 -4.397 -2.567 575 2HG2 ILE 74 2HG2 ILE 74 -1.302 -3.702 -2.212 576 3HG2 ILE 74 3HG2 ILE 74 0.161 -2.698 -2.051 577 1HD1 ILE 74 1HD1 ILE 74 -2.746 -1.915 -2.567 578 2HD1 ILE 74 2HD1 ILE 74 -2.988 -3.233 -3.739 579 3HD1 ILE 74 3HD1 ILE 74 -3.527 -1.583 -4.131 580 H TYR 75 H TYR 75 1.298 -0.973 -6.534 581 HA TYR 75 HA TYR 75 2.180 1.028 -4.564 582 1HB TYR 75 1HB TYR 75 3.927 0.344 -6.181 583 2HB TYR 75 2HB TYR 75 2.789 0.408 -7.512 584 HD1 TYR 75 HD1 TYR 75 3.226 2.128 -8.992 585 HD2 TYR 75 HD2 TYR 75 3.857 2.805 -4.815 586 HE1 TYR 75 HE1 TYR 75 3.940 4.519 -9.480 587 HE2 TYR 75 HE2 TYR 75 4.568 5.193 -5.317 588 HH TYR 75 HH TYR 75 5.566 6.394 -7.296 589 H PHE 76 H PHE 76 0.768 2.664 -4.222 590 HA PHE 76 HA PHE 76 -0.621 3.773 -6.495 591 1HB PHE 76 1HB PHE 76 -2.813 3.577 -5.138 592 2HB PHE 76 2HB PHE 76 -2.210 2.055 -5.765 593 HD1 PHE 76 HD1 PHE 76 -3.570 3.551 -2.970 594 HD2 PHE 76 HD2 PHE 76 -0.458 0.879 -4.057 595 HE1 PHE 76 HE1 PHE 76 -3.586 2.591 -0.651 596 HE2 PHE 76 HE2 PHE 76 -0.474 -0.083 -1.738 597 HZ PHE 76 HZ PHE 76 -2.037 0.785 -0.063 598 H TYR 77 H TYR 77 -2.224 5.618 -5.456 599 HA TYR 77 HA TYR 77 -0.426 7.151 -3.731 600 1HB TYR 77 1HB TYR 77 -1.490 7.809 -6.090 601 2HB TYR 77 2HB TYR 77 -2.983 8.011 -5.195 602 HD1 TYR 77 HD1 TYR 77 -3.491 10.229 -4.788 603 HD2 TYR 77 HD2 TYR 77 0.603 9.001 -4.627 604 HE1 TYR 77 HE1 TYR 77 -2.798 12.598 -4.179 605 HE2 TYR 77 HE2 TYR 77 1.283 11.373 -4.018 606 HH TYR 77 HH TYR 77 -1.171 13.873 -3.493 607 H LEU 78 H LEU 78 -0.909 7.531 -1.624 608 HA LEU 78 HA LEU 78 -3.644 6.879 -0.785 609 1HB LEU 78 1HB LEU 78 -1.228 5.874 0.090 610 2HB LEU 78 2HB LEU 78 -1.595 7.096 1.291 611 HG LEU 78 HG LEU 78 -2.374 4.684 1.709 612 1HD1 LEU 78 1HD1 LEU 78 -4.817 5.964 2.256 613 2HD1 LEU 78 2HD1 LEU 78 -3.571 7.233 2.326 614 3HD1 LEU 78 3HD1 LEU 78 -3.414 5.777 3.335 615 1HD2 LEU 78 1HD2 LEU 78 -4.748 5.444 0.019 616 2HD2 LEU 78 2HD2 LEU 78 -4.296 3.856 0.681 617 3HD2 LEU 78 3HD2 LEU 78 -3.366 4.556 -0.666 618 H GLY 79 H GLY 79 -4.909 8.635 -0.523 619 1HA GLY 79 2HA GLY 79 -5.588 10.668 0.159 620 2HA GLY 79 1HA GLY 79 -4.180 10.748 1.199 621 H GLN 80 H GLN 80 -2.215 11.738 0.452 622 HA GLN 80 HA GLN 80 -2.389 12.930 -2.186 623 1HB GLN 80 1HB GLN 80 -1.706 15.134 -1.330 624 2HB GLN 80 2HB GLN 80 -3.217 14.639 -0.593 625 1HG GLN 80 1HG GLN 80 -1.205 13.584 1.107 626 2HG GLN 80 2HG GLN 80 -0.633 15.184 0.675 627 1HE2 GLN 80 2HE2 GLN 80 -2.472 13.456 2.786 628 2HE2 GLN 80 1HE2 GLN 80 -3.501 14.692 3.427 629 H VAL 81 H VAL 81 -0.889 10.655 -0.860 630 HA VAL 81 HA VAL 81 1.761 11.569 -1.656 631 HB VAL 81 HB VAL 81 2.783 10.510 0.289 632 1HG1 VAL 81 1HG1 VAL 81 0.749 12.459 1.368 633 2HG1 VAL 81 2HG1 VAL 81 1.993 12.978 0.206 634 3HG1 VAL 81 3HG1 VAL 81 2.474 12.289 1.774 635 1HG2 VAL 81 1HG2 VAL 81 0.390 9.189 0.607 636 2HG2 VAL 81 2HG2 VAL 81 0.332 10.397 1.914 637 3HG2 VAL 81 3HG2 VAL 81 1.698 9.259 1.813 638 H ALA 82 H ALA 82 3.256 9.402 -1.547 639 HA ALA 82 HA ALA 82 1.733 7.474 -3.124 640 1HB ALA 82 1HB ALA 82 4.641 8.254 -2.874 641 2HB ALA 82 2HB ALA 82 3.612 8.196 -4.325 642 3HB ALA 82 3HB ALA 82 4.186 6.685 -3.579 643 H ILE 83 H ILE 83 2.129 5.133 -2.758 644 HA ILE 83 HA ILE 83 3.264 4.404 -0.219 645 HB ILE 83 HB ILE 83 0.807 5.219 0.090 646 1HG1 ILE 83 1HG1 ILE 83 1.350 2.530 1.302 647 2HG1 ILE 83 2HG1 ILE 83 2.464 3.843 1.624 648 1HG2 ILE 83 1HG2 ILE 83 0.210 2.364 -0.677 649 2HG2 ILE 83 2HG2 ILE 83 0.044 3.708 -1.832 650 3HG2 ILE 83 3HG2 ILE 83 -0.920 3.695 -0.336 651 1HD1 ILE 83 1HD1 ILE 83 0.457 5.272 2.301 652 2HD1 ILE 83 2HD1 ILE 83 0.796 3.891 3.371 653 3HD1 ILE 83 3HD1 ILE 83 -0.530 3.795 2.188 654 H LEU 84 H LEU 84 4.376 2.560 -0.568 655 HA LEU 84 HA LEU 84 3.306 0.746 -2.613 656 1HB LEU 84 1HB LEU 84 5.344 0.487 -3.644 657 2HB LEU 84 2HB LEU 84 5.262 2.212 -3.348 658 HG LEU 84 HG LEU 84 6.587 1.522 -1.131 659 1HD1 LEU 84 1HD1 LEU 84 6.409 -0.944 -2.089 660 2HD1 LEU 84 2HD1 LEU 84 7.844 -0.380 -1.201 661 3HD1 LEU 84 3HD1 LEU 84 7.866 -0.441 -2.979 662 1HD2 LEU 84 1HD2 LEU 84 7.818 3.038 -2.214 663 2HD2 LEU 84 2HD2 LEU 84 7.352 2.413 -3.814 664 3HD2 LEU 84 3HD2 LEU 84 8.683 1.648 -2.913 665 H LEU 85 H LEU 85 2.861 -1.217 -1.778 666 HA LEU 85 HA LEU 85 4.386 -1.999 0.609 667 1HB LEU 85 1HB LEU 85 2.133 -1.458 1.225 668 2HB LEU 85 2HB LEU 85 1.480 -2.442 -0.069 669 HG LEU 85 HG LEU 85 3.171 -4.055 1.634 670 1HD1 LEU 85 1HD1 LEU 85 1.150 -3.773 3.474 671 2HD1 LEU 85 2HD1 LEU 85 1.481 -2.090 3.003 672 3HD1 LEU 85 3HD1 LEU 85 2.796 -3.115 3.626 673 1HD2 LEU 85 1HD2 LEU 85 1.048 -5.367 1.851 674 2HD2 LEU 85 2HD2 LEU 85 1.557 -5.041 0.176 675 3HD2 LEU 85 3HD2 LEU 85 0.234 -4.099 0.905 676 H PHE 86 H PHE 86 4.913 -4.270 0.805 677 HA PHE 86 HA PHE 86 4.336 -5.988 -1.410 678 1HB PHE 86 1HB PHE 86 6.791 -6.255 -1.962 679 2HB PHE 86 2HB PHE 86 6.237 -4.624 -2.283 680 HD1 PHE 86 HD1 PHE 86 8.539 -6.659 -0.432 681 HD2 PHE 86 HD2 PHE 86 6.747 -2.817 -0.588 682 HE1 PHE 86 HE1 PHE 86 10.357 -5.753 1.041 683 HE2 PHE 86 HE2 PHE 86 8.566 -1.909 0.886 684 HZ PHE 86 HZ PHE 86 10.349 -3.388 1.682 685 H LYS 87 H LYS 87 4.818 -8.204 -0.941 686 HA LYS 87 HA LYS 87 5.388 -8.626 1.894 687 1HB LYS 87 1HB LYS 87 3.360 -9.631 1.455 688 2HB LYS 87 2HB LYS 87 3.796 -10.079 -0.183 689 1HG LYS 87 1HG LYS 87 3.850 -12.139 0.998 690 2HG LYS 87 2HG LYS 87 5.538 -11.683 0.879 691 1HD LYS 87 1HD LYS 87 4.342 -10.494 3.268 692 2HD LYS 87 2HD LYS 87 4.062 -12.225 3.252 693 1HE LYS 87 1HE LYS 87 6.770 -10.835 2.975 694 2HE LYS 87 2HE LYS 87 6.205 -11.726 4.373 695 1HZ LYS 87 1HZ LYS 87 6.139 -13.210 1.877 696 H SER 88 H SER 88 7.566 -8.774 2.216 697 HA SER 88 HA SER 88 9.016 -10.413 0.294 698 1HB SER 88 1HB SER 88 9.897 -8.138 0.511 699 2HB SER 88 2HB SER 88 9.980 -8.287 2.254 700 HG SER 88 HG SER 88 11.365 -10.287 0.817 701 H GLY 89 H GLY 89 9.132 -9.548 3.837 702 1HA GLY 89 2HA GLY 89 9.335 -10.841 5.668 703 2HA GLY 89 1HA GLY 89 8.837 -12.224 4.712
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