NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
6445 | 1j2o | 5100 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -19.063 -9.751 -4.098 2 2H GLY 1 2H GLY 1 -20.397 -10.773 -4.314 3 3H GLY 1 3H GLY 1 -19.994 -9.642 -5.513 4 1HA GLY 1 2HA GLY 1 -18.580 -12.130 -4.784 5 2HA GLY 1 1HA GLY 1 -19.218 -11.653 -6.354 6 H SER 2 H SER 2 -17.432 -11.611 -7.614 7 HA SER 2 HA SER 2 -14.953 -10.493 -6.632 8 1HB SER 2 2HB SER 2 -15.442 -11.262 -9.495 9 2HB SER 2 1HB SER 2 -13.955 -11.371 -8.554 10 HG SER 2 HG SER 2 -15.538 -12.898 -7.261 11 H LEU 3 H LEU 3 -14.431 -8.438 -6.724 12 HA LEU 3 HA LEU 3 -15.744 -6.701 -8.715 13 1HB LEU 3 2HB LEU 3 -14.930 -6.227 -5.870 14 2HB LEU 3 1HB LEU 3 -15.042 -4.879 -6.986 15 HG LEU 3 HG LEU 3 -17.433 -6.461 -7.141 16 1HD1 LEU 3 1HD1 LEU 3 -16.833 -5.385 -4.395 17 2HD1 LEU 3 2HD1 LEU 3 -18.287 -6.228 -4.927 18 3HD1 LEU 3 3HD1 LEU 3 -16.753 -7.093 -4.822 19 1HD2 LEU 3 1HD2 LEU 3 -16.633 -3.652 -6.579 20 2HD2 LEU 3 2HD2 LEU 3 -17.674 -4.299 -7.847 21 3HD2 LEU 3 3HD2 LEU 3 -18.280 -4.157 -6.198 22 H LEU 4 H LEU 4 -12.900 -6.579 -6.613 23 HA LEU 4 HA LEU 4 -11.257 -5.888 -8.962 24 1HB LEU 4 2HB LEU 4 -10.530 -5.176 -6.132 25 2HB LEU 4 1HB LEU 4 -9.867 -4.531 -7.625 26 HG LEU 4 HG LEU 4 -12.668 -3.934 -7.501 27 1HD1 LEU 4 1HD1 LEU 4 -11.308 -2.519 -5.294 28 2HD1 LEU 4 2HD1 LEU 4 -13.000 -2.983 -5.476 29 3HD1 LEU 4 3HD1 LEU 4 -11.808 -4.183 -4.973 30 1HD2 LEU 4 1HD2 LEU 4 -10.358 -2.830 -8.458 31 2HD2 LEU 4 2HD2 LEU 4 -11.923 -2.019 -8.390 32 3HD2 LEU 4 3HD2 LEU 4 -10.743 -1.767 -7.101 33 H THR 5 H THR 5 -8.927 -6.606 -8.649 34 HA THR 5 HA THR 5 -8.850 -9.036 -7.001 35 HB THR 5 HB THR 5 -7.010 -9.565 -8.966 36 HG1 THR 5 1HG THR 5 -9.241 -8.171 -10.062 37 1HG2 THR 5 1HG2 THR 5 -8.159 -11.464 -8.830 38 2HG2 THR 5 2HG2 THR 5 -9.511 -10.724 -9.694 39 3HG2 THR 5 3HG2 THR 5 -9.425 -10.619 -7.933 40 H CYS 6 H CYS 6 -7.260 -9.174 -5.644 41 HA CYS 6 HA CYS 6 -5.356 -7.030 -5.461 42 1HB CYS 6 2HB CYS 6 -5.822 -7.431 -3.310 43 2HB CYS 6 1HB CYS 6 -6.571 -8.978 -3.696 44 H GLY 7 H GLY 7 -3.102 -7.276 -5.427 45 1HA GLY 7 1HA GLY 7 -2.214 -9.375 -7.240 46 2HA GLY 7 2HA GLY 7 -1.325 -7.923 -6.804 47 H GLY 8 H GLY 8 -2.404 -9.113 -3.969 48 1HA GLY 8 1HA GLY 8 0.203 -10.284 -3.395 49 2HA GLY 8 2HA GLY 8 -1.010 -9.811 -2.213 50 H CYS 9 H CYS 9 -3.217 -11.154 -2.938 51 HA CYS 9 HA CYS 9 -2.348 -13.957 -2.720 52 1HB CYS 9 2HB CYS 9 -4.366 -14.421 -1.499 53 2HB CYS 9 1HB CYS 9 -3.587 -13.025 -0.767 54 H GLN 10 H GLN 10 -4.101 -11.699 -4.580 55 HA GLN 10 HA GLN 10 -5.194 -11.788 -6.555 56 1HB GLN 10 2HB GLN 10 -3.082 -13.562 -6.754 57 2HB GLN 10 1HB GLN 10 -4.456 -14.500 -7.323 58 1HG GLN 10 2HG GLN 10 -3.937 -13.565 -9.291 59 2HG GLN 10 1HG GLN 10 -4.870 -12.210 -8.660 60 1HE2 GLN 10 1HE2 GLN 10 -3.568 -11.032 -10.235 61 2HE2 GLN 10 2HE2 GLN 10 -2.001 -10.451 -9.744 62 H GLN 11 H GLN 11 -6.421 -13.068 -4.081 63 HA GLN 11 HA GLN 11 -8.193 -15.019 -5.323 64 1HB GLN 11 2HB GLN 11 -8.699 -15.780 -3.198 65 2HB GLN 11 1HB GLN 11 -7.039 -15.245 -3.005 66 1HG GLN 11 2HG GLN 11 -7.608 -13.783 -1.443 67 2HG GLN 11 1HG GLN 11 -8.894 -13.110 -2.444 68 1HE2 GLN 11 1HE2 GLN 11 -8.078 -15.405 0.020 69 2HE2 GLN 11 2HE2 GLN 11 -9.702 -15.790 0.484 70 H ASN 12 H ASN 12 -8.199 -11.937 -5.562 71 HA ASN 12 HA ASN 12 -9.772 -10.415 -6.174 72 1HB ASN 12 2HB ASN 12 -11.362 -11.726 -7.152 73 2HB ASN 12 1HB ASN 12 -11.482 -12.806 -5.768 74 1HD2 ASN 12 1HD2 ASN 12 -13.181 -12.605 -4.467 75 2HD2 ASN 12 2HD2 ASN 12 -14.310 -11.284 -4.493 76 H ILE 13 H ILE 13 -10.827 -8.730 -5.215 77 HA ILE 13 HA ILE 13 -10.844 -8.786 -2.278 78 HB ILE 13 HB ILE 13 -11.073 -6.302 -3.930 79 1HG1 ILE 13 2HG1 ILE 13 -8.405 -7.173 -2.957 80 2HG1 ILE 13 1HG1 ILE 13 -9.025 -7.942 -4.409 81 1HG2 ILE 13 1HG2 ILE 13 -10.688 -5.187 -2.011 82 2HG2 ILE 13 2HG2 ILE 13 -11.259 -6.682 -1.268 83 3HG2 ILE 13 3HG2 ILE 13 -9.528 -6.382 -1.428 84 1HD1 ILE 13 1HD1 ILE 13 -8.814 -6.077 -5.652 85 2HD1 ILE 13 2HD1 ILE 13 -9.142 -4.996 -4.296 86 3HD1 ILE 13 3HD1 ILE 13 -7.551 -5.743 -4.462 87 H GLY 14 H GLY 14 -12.825 -9.540 -1.723 88 1HA GLY 14 1HA GLY 14 -15.188 -8.151 -2.821 89 2HA GLY 14 2HA GLY 14 -15.216 -9.710 -1.998 90 H ASP 15 H ASP 15 -13.140 -7.411 -0.703 91 HA ASP 15 HA ASP 15 -14.504 -7.384 1.793 92 1HB ASP 15 2HB ASP 15 -12.074 -5.837 0.857 93 2HB ASP 15 1HB ASP 15 -12.620 -5.952 2.528 94 H ARG 16 H ARG 16 -14.516 -5.089 2.967 95 HA ARG 16 HA ARG 16 -16.259 -3.387 1.347 96 1HB ARG 16 2HB ARG 16 -16.450 -2.135 3.627 97 2HB ARG 16 1HB ARG 16 -17.282 -3.667 3.406 98 1HG ARG 16 2HG ARG 16 -15.989 -4.744 4.910 99 2HG ARG 16 1HG ARG 16 -14.548 -3.805 4.512 100 1HD ARG 16 2HD ARG 16 -16.494 -2.062 5.645 101 2HD ARG 16 1HD ARG 16 -16.324 -3.470 6.691 102 HE ARG 16 HE ARG 16 -13.856 -2.963 6.618 103 1HH1 ARG 16 2HH1 ARG 16 -16.329 -0.494 6.345 104 2HH1 ARG 16 1HH1 ARG 16 -15.257 0.815 6.763 105 1HH2 ARG 16 2HH2 ARG 16 -12.455 -1.260 7.243 106 2HH2 ARG 16 1HH2 ARG 16 -13.078 0.367 7.347 107 H TYR 17 H TYR 17 -13.144 -3.438 2.873 108 HA TYR 17 HA TYR 17 -12.575 -0.765 1.753 109 1HB TYR 17 2HB TYR 17 -12.361 -1.546 4.406 110 2HB TYR 17 1HB TYR 17 -10.726 -1.774 3.800 111 HD1 TYR 17 1HD TYR 17 -9.283 0.024 3.968 112 HD2 TYR 17 2HD TYR 17 -13.460 0.760 3.666 113 HE1 TYR 17 1HE TYR 17 -8.873 2.430 4.243 114 HE2 TYR 17 2HE TYR 17 -13.063 3.169 3.934 115 HH TYR 17 HH TYR 17 -11.485 4.788 3.931 116 H PHE 18 H PHE 18 -10.297 -0.587 0.891 117 HA PHE 18 HA PHE 18 -8.770 -2.946 0.575 118 1HB PHE 18 2HB PHE 18 -9.082 -3.567 -1.619 119 2HB PHE 18 1HB PHE 18 -10.715 -3.171 -1.142 120 HD1 PHE 18 1HD PHE 18 -11.396 -0.634 -1.613 121 HD2 PHE 18 2HD PHE 18 -8.296 -2.769 -3.600 122 HE1 PHE 18 1HE PHE 18 -11.556 0.910 -3.520 123 HE2 PHE 18 2HE PHE 18 -8.446 -1.221 -5.504 124 HZ PHE 18 HZ PHE 18 -10.080 0.619 -5.465 125 H LEU 19 H LEU 19 -6.928 -2.611 -0.790 126 HA LEU 19 HA LEU 19 -6.123 0.224 -0.737 127 1HB LEU 19 2HB LEU 19 -4.969 -2.146 0.515 128 2HB LEU 19 1HB LEU 19 -3.818 -1.092 -0.291 129 HG LEU 19 HG LEU 19 -4.195 -0.592 2.111 130 1HD1 LEU 19 1HD1 LEU 19 -4.928 1.658 0.320 131 2HD1 LEU 19 2HD1 LEU 19 -4.112 1.750 1.881 132 3HD1 LEU 19 3HD1 LEU 19 -3.291 1.022 0.500 133 1HD2 LEU 19 1HD2 LEU 19 -6.752 0.685 1.417 134 2HD2 LEU 19 2HD2 LEU 19 -6.709 -1.015 1.893 135 3HD2 LEU 19 3HD2 LEU 19 -6.115 0.227 2.996 136 H LYS 20 H LYS 20 -4.818 0.944 -2.460 137 HA LYS 20 HA LYS 20 -3.700 -0.929 -4.335 138 1HB LYS 20 2HB LYS 20 -5.491 -1.149 -5.665 139 2HB LYS 20 1HB LYS 20 -6.401 0.026 -4.734 140 1HG LYS 20 2HG LYS 20 -4.417 1.044 -6.691 141 2HG LYS 20 1HG LYS 20 -5.896 0.330 -7.312 142 1HD LYS 20 2HD LYS 20 -5.963 2.427 -5.167 143 2HD LYS 20 1HD LYS 20 -5.865 2.862 -6.876 144 1HE LYS 20 2HE LYS 20 -7.961 0.963 -5.890 145 2HE LYS 20 1HE LYS 20 -8.187 2.705 -5.747 146 1HZ LYS 20 1HZ LYS 20 -8.875 1.257 -7.899 147 2HZ LYS 20 2HZ LYS 20 -7.337 1.812 -8.363 148 3HZ LYS 20 3HZ LYS 20 -8.543 2.921 -7.931 149 H ALA 21 H ALA 21 -2.322 0.180 -5.941 150 HA ALA 21 HA ALA 21 -2.240 2.940 -6.297 151 1HB ALA 21 1HB ALA 21 -0.469 3.746 -4.918 152 2HB ALA 21 2HB ALA 21 -1.665 2.981 -3.871 153 3HB ALA 21 3HB ALA 21 -0.169 2.135 -4.268 154 H ILE 22 H ILE 22 -0.110 0.148 -5.863 155 HA ILE 22 HA ILE 22 2.078 0.939 -7.271 156 HB ILE 22 HB ILE 22 0.856 -1.814 -7.097 157 1HG1 ILE 22 2HG1 ILE 22 2.955 -0.326 -5.536 158 2HG1 ILE 22 1HG1 ILE 22 1.488 -1.092 -4.944 159 1HG2 ILE 22 1HG2 ILE 22 2.803 -1.037 -8.914 160 2HG2 ILE 22 2HG2 ILE 22 3.698 -1.800 -7.601 161 3HG2 ILE 22 3HG2 ILE 22 2.408 -2.685 -8.418 162 1HD1 ILE 22 1HD1 ILE 22 4.138 -2.245 -5.513 163 2HD1 ILE 22 2HD1 ILE 22 2.966 -2.643 -4.258 164 3HD1 ILE 22 3HD1 ILE 22 2.739 -3.246 -5.899 165 H ASP 23 H ASP 23 -0.656 -0.851 -8.616 166 HA ASP 23 HA ASP 23 -0.903 0.490 -11.035 167 1HB ASP 23 2HB ASP 23 1.284 -0.288 -11.695 168 2HB ASP 23 1HB ASP 23 0.931 -1.920 -11.142 169 H GLN 24 H GLN 24 -1.401 -1.961 -8.871 170 HA GLN 24 HA GLN 24 -3.761 -2.941 -10.295 171 1HB GLN 24 2HB GLN 24 -3.332 -5.188 -9.565 172 2HB GLN 24 1HB GLN 24 -1.880 -4.608 -10.362 173 1HG GLN 24 2HG GLN 24 -2.306 -4.761 -7.385 174 2HG GLN 24 1HG GLN 24 -1.389 -5.909 -8.353 175 1HE2 GLN 24 1HE2 GLN 24 0.715 -5.465 -8.823 176 2HE2 GLN 24 2HE2 GLN 24 1.530 -4.015 -8.347 177 H TYR 25 H TYR 25 -4.762 -4.527 -8.278 178 HA TYR 25 HA TYR 25 -5.194 -2.568 -6.127 179 1HB TYR 25 2HB TYR 25 -7.113 -4.792 -6.787 180 2HB TYR 25 1HB TYR 25 -7.427 -3.286 -5.925 181 HD1 TYR 25 1HD TYR 25 -6.545 -1.180 -7.588 182 HD2 TYR 25 2HD TYR 25 -8.292 -4.884 -8.765 183 HE1 TYR 25 1HE TYR 25 -7.303 -0.151 -9.687 184 HE2 TYR 25 2HE TYR 25 -9.046 -3.861 -10.873 185 HH TYR 25 HH TYR 25 -8.321 -1.905 -12.328 186 H TRP 26 H TRP 26 -5.546 -3.450 -3.983 187 HA TRP 26 HA TRP 26 -4.232 -6.052 -3.569 188 1HB TRP 26 2HB TRP 26 -3.632 -3.465 -2.119 189 2HB TRP 26 1HB TRP 26 -2.966 -5.037 -1.699 190 HD1 TRP 26 HD TRP 26 -2.612 -2.210 -4.218 191 HE1 TRP 26 1HE TRP 26 -0.434 -2.553 -5.532 192 HE3 TRP 26 3HE TRP 26 -1.391 -6.872 -2.540 193 HZ2 TRP 26 2HZ TRP 26 1.555 -4.536 -5.807 194 HZ3 TRP 26 3HZ TRP 26 0.669 -7.926 -3.378 195 HH2 TRP 26 HH TRP 26 2.114 -6.772 -4.979 196 H HIS 27 H HIS 27 -4.096 -5.994 -0.887 197 HA HIS 27 HA HIS 27 -6.856 -5.687 0.086 198 1HB HIS 27 2HB HIS 27 -5.022 -8.024 0.258 199 2HB HIS 27 1HB HIS 27 -5.937 -7.631 1.706 200 HD2 HIS 27 2HD HIS 27 -8.834 -7.171 0.758 201 HE1 HIS 27 1HE HIS 27 -8.390 -10.704 -1.533 202 HE2 HIS 27 2HE HIS 27 -10.043 -9.194 -0.312 203 H GLU 28 H GLU 28 -6.886 -5.452 2.509 204 HA GLU 28 HA GLU 28 -5.084 -3.463 3.348 205 1HB GLU 28 2HB GLU 28 -6.940 -5.159 5.017 206 2HB GLU 28 1HB GLU 28 -6.243 -3.618 5.462 207 1HG GLU 28 2HG GLU 28 -7.550 -2.448 3.893 208 2HG GLU 28 1HG GLU 28 -8.045 -3.942 3.094 209 H ASP 29 H ASP 29 -5.417 -6.902 4.211 210 HA ASP 29 HA ASP 29 -2.996 -6.730 5.824 211 1HB ASP 29 2HB ASP 29 -5.328 -8.122 6.179 212 2HB ASP 29 1HB ASP 29 -4.268 -9.368 5.526 213 H CYS 30 H CYS 30 -3.633 -7.187 2.686 214 HA CYS 30 HA CYS 30 -1.699 -9.313 2.218 215 1HB CYS 30 2HB CYS 30 -3.700 -7.877 0.550 216 2HB CYS 30 1HB CYS 30 -2.293 -8.554 -0.256 217 H LEU 31 H LEU 31 -2.123 -5.874 1.578 218 HA LEU 31 HA LEU 31 0.359 -5.525 0.251 219 1HB LEU 31 2HB LEU 31 -1.903 -3.966 0.801 220 2HB LEU 31 1HB LEU 31 -0.560 -3.124 1.551 221 HG LEU 31 HG LEU 31 -0.668 -3.966 -1.343 222 1HD1 LEU 31 1HD1 LEU 31 -0.723 -1.131 -0.463 223 2HD1 LEU 31 2HD1 LEU 31 -1.382 -1.882 -1.917 224 3HD1 LEU 31 3HD1 LEU 31 -2.212 -2.072 -0.372 225 1HD2 LEU 31 1HD2 LEU 31 1.534 -3.351 0.250 226 2HD2 LEU 31 2HD2 LEU 31 1.474 -3.395 -1.515 227 3HD2 LEU 31 3HD2 LEU 31 1.202 -1.876 -0.659 228 H SER 32 H SER 32 1.692 -6.721 1.817 229 HA SER 32 HA SER 32 2.494 -5.056 4.103 230 1HB SER 32 2HB SER 32 3.814 -7.613 4.052 231 2HB SER 32 1HB SER 32 2.700 -6.971 5.260 232 HG SER 32 HG SER 32 1.006 -7.620 3.694 233 H CYS 33 H CYS 33 5.012 -5.594 4.521 234 HA CYS 33 HA CYS 33 6.348 -4.480 2.214 235 1HB CYS 33 2HB CYS 33 7.266 -3.398 3.965 236 2HB CYS 33 1HB CYS 33 6.819 -4.661 5.103 237 H ASP 34 H ASP 34 8.562 -5.390 1.667 238 HA ASP 34 HA ASP 34 8.208 -8.222 1.122 239 1HB ASP 34 2HB ASP 34 8.882 -6.295 -0.554 240 2HB ASP 34 1HB ASP 34 10.502 -6.670 0.025 241 H LEU 35 H LEU 35 10.715 -6.089 2.469 242 HA LEU 35 HA LEU 35 12.087 -8.517 3.387 243 1HB LEU 35 2HB LEU 35 13.406 -7.678 1.705 244 2HB LEU 35 1HB LEU 35 13.097 -6.012 2.138 245 HG LEU 35 HG LEU 35 14.502 -6.544 4.254 246 1HD1 LEU 35 1HD1 LEU 35 14.573 -8.976 3.898 247 2HD1 LEU 35 2HD1 LEU 35 15.452 -8.720 2.390 248 3HD1 LEU 35 3HD1 LEU 35 16.187 -8.265 3.927 249 1HD2 LEU 35 1HD2 LEU 35 16.316 -5.592 3.196 250 2HD2 LEU 35 2HD2 LEU 35 16.084 -6.530 1.720 251 3HD2 LEU 35 3HD2 LEU 35 15.004 -5.176 2.083 252 H CYS 36 H CYS 36 11.649 -5.054 4.379 253 HA CYS 36 HA CYS 36 12.851 -5.355 6.894 254 1HB CYS 36 2HB CYS 36 10.445 -3.623 6.878 255 2HB CYS 36 1HB CYS 36 12.058 -3.292 7.480 256 H GLY 37 H GLY 37 9.564 -5.950 5.815 257 1HA GLY 37 1HA GLY 37 8.042 -7.487 6.670 258 2HA GLY 37 2HA GLY 37 9.140 -7.798 8.014 259 H CYS 38 H CYS 38 7.803 -4.705 6.886 260 HA CYS 38 HA CYS 38 6.638 -4.375 9.561 261 1HB CYS 38 2HB CYS 38 6.737 -1.869 8.817 262 2HB CYS 38 1HB CYS 38 8.211 -2.669 9.351 263 HG CYS 38 HG CYS 38 9.567 -2.213 7.218 264 H ARG 39 H ARG 39 5.662 -1.945 7.540 265 HA ARG 39 HA ARG 39 3.613 -3.140 6.038 266 1HB ARG 39 2HB ARG 39 2.949 -2.823 8.783 267 2HB ARG 39 1HB ARG 39 2.033 -1.624 7.879 268 1HG ARG 39 2HG ARG 39 1.805 -3.979 6.403 269 2HG ARG 39 1HG ARG 39 1.623 -4.460 8.089 270 1HD ARG 39 2HD ARG 39 0.047 -2.333 8.139 271 2HD ARG 39 1HD ARG 39 -0.081 -2.698 6.418 272 HE ARG 39 HE ARG 39 -0.476 -5.074 7.830 273 1HH1 ARG 39 2HH1 ARG 39 -2.077 -1.976 7.390 274 2HH1 ARG 39 1HH1 ARG 39 -3.671 -2.635 7.614 275 1HH2 ARG 39 2HH2 ARG 39 -2.560 -5.918 8.152 276 2HH2 ARG 39 1HH2 ARG 39 -3.945 -4.874 8.051 277 H LEU 40 H LEU 40 5.550 -1.333 5.507 278 HA LEU 40 HA LEU 40 6.047 0.730 4.718 279 1HB LEU 40 2HB LEU 40 3.617 1.277 3.367 280 2HB LEU 40 1HB LEU 40 5.129 0.675 2.722 281 HG LEU 40 HG LEU 40 3.310 -1.261 4.023 282 1HD1 LEU 40 1HD1 LEU 40 1.590 -0.755 2.712 283 2HD1 LEU 40 2HD1 LEU 40 2.562 0.370 1.760 284 3HD1 LEU 40 3HD1 LEU 40 2.573 -1.350 1.373 285 1HD2 LEU 40 1HD2 LEU 40 4.626 -2.750 3.039 286 2HD2 LEU 40 2HD2 LEU 40 4.471 -1.951 1.473 287 3HD2 LEU 40 3HD2 LEU 40 5.687 -1.401 2.629 288 H GLY 41 H GLY 41 2.979 2.032 4.286 289 1HA GLY 41 1HA GLY 41 2.585 3.322 6.774 290 2HA GLY 41 2HA GLY 41 3.476 4.372 5.671 291 H GLU 42 H GLU 42 0.501 2.694 6.256 292 HA GLU 42 HA GLU 42 -0.776 3.313 3.828 293 1HB GLU 42 2HB GLU 42 -2.133 2.723 6.453 294 2HB GLU 42 1HB GLU 42 -2.781 2.474 4.838 295 1HG GLU 42 2HG GLU 42 -1.606 0.563 4.506 296 2HG GLU 42 1HG GLU 42 -0.266 1.072 5.536 297 H VAL 43 H VAL 43 0.138 5.698 4.258 298 HA VAL 43 HA VAL 43 -2.255 7.263 4.948 299 HB VAL 43 HB VAL 43 0.489 8.476 5.107 300 1HG1 VAL 43 1HG1 VAL 43 -2.124 9.442 5.308 301 2HG1 VAL 43 2HG1 VAL 43 -1.498 9.431 6.958 302 3HG1 VAL 43 3HG1 VAL 43 -0.633 10.307 5.693 303 1HG2 VAL 43 1HG2 VAL 43 -0.902 6.833 7.191 304 2HG2 VAL 43 2HG2 VAL 43 0.791 6.804 6.697 305 3HG2 VAL 43 3HG2 VAL 43 0.175 8.153 7.650 306 H GLY 44 H GLY 44 -3.003 7.247 2.910 307 1HA GLY 44 1HA GLY 44 -1.854 7.103 0.531 308 2HA GLY 44 2HA GLY 44 -3.292 8.074 0.772 309 H ARG 45 H ARG 45 -0.164 8.043 -0.313 310 HA ARG 45 HA ARG 45 -0.257 10.845 -0.930 311 1HB ARG 45 2HB ARG 45 1.099 10.098 1.415 312 2HB ARG 45 1HB ARG 45 2.356 10.365 0.214 313 1HG ARG 45 2HG ARG 45 0.884 12.552 -0.219 314 2HG ARG 45 1HG ARG 45 0.501 12.276 1.483 315 1HD ARG 45 2HD ARG 45 3.300 12.382 0.383 316 2HD ARG 45 1HD ARG 45 2.462 13.774 1.070 317 HE ARG 45 HE ARG 45 2.323 11.749 2.961 318 1HH1 ARG 45 2HH1 ARG 45 4.845 13.555 1.331 319 2HH1 ARG 45 1HH1 ARG 45 5.935 13.509 2.690 320 1HH2 ARG 45 2HH2 ARG 45 3.739 11.705 4.752 321 2HH2 ARG 45 1HH2 ARG 45 5.291 12.486 4.653 322 H ARG 46 H ARG 46 2.758 9.129 -0.620 323 HA ARG 46 HA ARG 46 2.908 8.908 -3.544 324 1HB ARG 46 2HB ARG 46 5.019 9.046 -1.398 325 2HB ARG 46 1HB ARG 46 5.384 8.633 -3.069 326 1HG ARG 46 2HG ARG 46 3.809 11.007 -3.010 327 2HG ARG 46 1HG ARG 46 5.178 11.180 -1.913 328 1HD ARG 46 2HD ARG 46 5.702 11.932 -4.205 329 2HD ARG 46 1HD ARG 46 6.715 10.580 -3.696 330 HE ARG 46 HE ARG 46 4.445 10.404 -5.583 331 1HH1 ARG 46 2HH1 ARG 46 7.459 9.130 -4.282 332 2HH1 ARG 46 1HH1 ARG 46 7.555 7.859 -5.470 333 1HH2 ARG 46 2HH2 ARG 46 4.614 8.728 -7.138 334 2HH2 ARG 46 1HH2 ARG 46 5.974 7.643 -7.075 335 H LEU 47 H LEU 47 4.877 7.060 -3.841 336 HA LEU 47 HA LEU 47 4.423 4.779 -2.191 337 1HB LEU 47 2HB LEU 47 2.531 4.755 -3.929 338 2HB LEU 47 1HB LEU 47 3.782 4.365 -5.097 339 HG LEU 47 HG LEU 47 4.230 2.549 -3.060 340 1HD1 LEU 47 1HD1 LEU 47 1.574 1.738 -3.350 341 2HD1 LEU 47 2HD1 LEU 47 2.380 2.275 -1.877 342 3HD1 LEU 47 3HD1 LEU 47 1.507 3.437 -2.880 343 1HD2 LEU 47 1HD2 LEU 47 2.457 1.564 -5.149 344 2HD2 LEU 47 2HD2 LEU 47 3.796 2.534 -5.766 345 3HD2 LEU 47 3HD2 LEU 47 4.121 1.120 -4.763 346 H TYR 48 H TYR 48 5.997 3.192 -2.445 347 HA TYR 48 HA TYR 48 8.163 3.814 -4.325 348 1HB TYR 48 2HB TYR 48 8.223 3.873 -1.442 349 2HB TYR 48 1HB TYR 48 9.321 2.636 -2.043 350 HD1 TYR 48 1HD TYR 48 9.784 5.468 -0.637 351 HD2 TYR 48 2HD TYR 48 10.088 3.992 -4.626 352 HE1 TYR 48 1HE TYR 48 11.467 7.190 -1.154 353 HE2 TYR 48 2HE TYR 48 11.754 5.712 -5.147 354 HH TYR 48 HH TYR 48 12.204 8.380 -3.574 355 H TYR 49 H TYR 49 8.492 2.158 -5.632 356 HA TYR 49 HA TYR 49 8.785 -0.500 -4.622 357 1HB TYR 49 2HB TYR 49 6.963 -1.583 -5.536 358 2HB TYR 49 1HB TYR 49 6.227 -0.050 -5.078 359 HD1 TYR 49 1HD TYR 49 6.001 1.736 -6.906 360 HD2 TYR 49 2HD TYR 49 6.829 -2.356 -7.734 361 HE1 TYR 49 1HE TYR 49 5.203 2.049 -9.209 362 HE2 TYR 49 2HE TYR 49 6.031 -2.051 -10.043 363 HH TYR 49 HH TYR 49 5.676 -0.354 -11.652 364 H LYS 50 H LYS 50 9.560 -1.979 -6.304 365 HA LYS 50 HA LYS 50 11.074 -0.493 -8.328 366 1HB LYS 50 2HB LYS 50 11.601 -2.825 -6.616 367 2HB LYS 50 1HB LYS 50 12.143 -3.003 -8.275 368 1HG LYS 50 2HG LYS 50 12.842 -0.458 -6.967 369 2HG LYS 50 1HG LYS 50 13.623 -1.904 -6.320 370 1HD LYS 50 2HD LYS 50 13.695 -2.029 -9.163 371 2HD LYS 50 1HD LYS 50 14.277 -0.441 -8.658 372 1HE LYS 50 2HE LYS 50 15.934 -1.439 -7.233 373 2HE LYS 50 1HE LYS 50 15.276 -3.052 -7.531 374 1HZ LYS 50 1HZ LYS 50 16.510 -3.234 -9.348 375 2HZ LYS 50 2HZ LYS 50 17.268 -1.771 -8.946 376 3HZ LYS 50 3HZ LYS 50 15.920 -1.771 -9.977 377 H LEU 51 H LEU 51 11.501 -1.680 -10.352 378 HA LEU 51 HA LEU 51 9.541 -1.910 -12.035 379 1HB LEU 51 2HB LEU 51 10.834 -3.270 -13.473 380 2HB LEU 51 1HB LEU 51 11.934 -2.275 -12.543 381 HG LEU 51 HG LEU 51 11.347 -5.123 -11.772 382 1HD1 LEU 51 1HD1 LEU 51 12.856 -4.129 -14.052 383 2HD1 LEU 51 2HD1 LEU 51 13.820 -5.139 -12.973 384 3HD1 LEU 51 3HD1 LEU 51 12.325 -5.766 -13.667 385 1HD2 LEU 51 1HD2 LEU 51 13.224 -3.008 -10.921 386 2HD2 LEU 51 2HD2 LEU 51 12.493 -4.321 -9.998 387 3HD2 LEU 51 3HD2 LEU 51 13.884 -4.639 -11.038 388 H GLY 52 H GLY 52 10.423 -4.830 -10.155 389 1HA GLY 52 1HA GLY 52 7.679 -5.784 -10.663 390 2HA GLY 52 2HA GLY 52 9.051 -6.854 -10.919 391 H ARG 53 H ARG 53 9.286 -4.619 -8.322 392 HA ARG 53 HA ARG 53 8.494 -6.717 -6.419 393 1HB ARG 53 2HB ARG 53 10.907 -4.958 -5.997 394 2HB ARG 53 1HB ARG 53 10.416 -6.356 -5.054 395 1HG ARG 53 2HG ARG 53 10.767 -7.280 -7.676 396 2HG ARG 53 1HG ARG 53 12.122 -6.209 -7.342 397 1HD ARG 53 2HD ARG 53 11.659 -7.818 -5.044 398 2HD ARG 53 1HD ARG 53 11.701 -8.873 -6.456 399 HE ARG 53 HE ARG 53 13.875 -7.558 -6.935 400 1HH1 ARG 53 2HH1 ARG 53 12.701 -8.595 -3.806 401 2HH1 ARG 53 1HH1 ARG 53 14.282 -8.635 -3.073 402 1HH2 ARG 53 2HH2 ARG 53 15.956 -7.637 -5.998 403 2HH2 ARG 53 1HH2 ARG 53 16.140 -8.100 -4.325 404 H LYS 54 H LYS 54 7.253 -6.028 -4.798 405 HA LYS 54 HA LYS 54 6.792 -3.152 -4.479 406 1HB LYS 54 2HB LYS 54 5.228 -4.204 -2.575 407 2HB LYS 54 1HB LYS 54 4.706 -4.053 -4.246 408 1HG LYS 54 2HG LYS 54 4.570 -6.258 -4.515 409 2HG LYS 54 1HG LYS 54 6.115 -6.544 -3.712 410 1HD LYS 54 2HD LYS 54 3.797 -5.737 -2.034 411 2HD LYS 54 1HD LYS 54 3.821 -7.378 -2.682 412 1HE LYS 54 2HE LYS 54 6.249 -6.284 -1.331 413 2HE LYS 54 1HE LYS 54 4.896 -6.872 -0.360 414 1HZ LYS 54 1HZ LYS 54 6.909 -8.390 -1.427 415 2HZ LYS 54 2HZ LYS 54 5.586 -8.700 -2.444 416 3HZ LYS 54 3HZ LYS 54 5.450 -8.965 -0.773 417 H LEU 55 H LEU 55 9.199 -3.382 -3.939 418 HA LEU 55 HA LEU 55 9.607 -4.067 -1.122 419 1HB LEU 55 2HB LEU 55 11.474 -5.045 -1.821 420 2HB LEU 55 1HB LEU 55 11.079 -4.603 -3.467 421 HG LEU 55 HG LEU 55 12.438 -2.546 -1.808 422 1HD1 LEU 55 1HD1 LEU 55 13.797 -4.337 -1.159 423 2HD1 LEU 55 2HD1 LEU 55 13.696 -5.105 -2.743 424 3HD1 LEU 55 3HD1 LEU 55 14.633 -3.624 -2.539 425 1HD2 LEU 55 1HD2 LEU 55 12.650 -3.468 -4.673 426 2HD2 LEU 55 2HD2 LEU 55 11.812 -2.033 -4.083 427 3HD2 LEU 55 3HD2 LEU 55 13.571 -2.135 -3.969 428 H CYS 56 H CYS 56 10.503 -2.611 0.302 429 HA CYS 56 HA CYS 56 9.775 0.071 -0.141 430 1HB CYS 56 2HB CYS 56 11.546 -0.929 2.079 431 2HB CYS 56 1HB CYS 56 10.453 0.454 2.100 432 H ARG 57 H ARG 57 11.212 1.911 0.318 433 HA ARG 57 HA ARG 57 13.507 1.913 -1.408 434 1HB ARG 57 2HB ARG 57 12.389 3.994 -1.254 435 2HB ARG 57 1HB ARG 57 12.342 3.931 0.502 436 1HG ARG 57 2HG ARG 57 14.150 5.218 0.519 437 2HG ARG 57 1HG ARG 57 15.057 3.865 -0.160 438 1HD ARG 57 2HD ARG 57 14.201 4.667 -2.423 439 2HD ARG 57 1HD ARG 57 13.742 6.152 -1.588 440 HE ARG 57 HE ARG 57 16.464 5.491 -1.087 441 1HH1 ARG 57 2HH1 ARG 57 14.325 6.962 -3.441 442 2HH1 ARG 57 1HH1 ARG 57 15.609 7.776 -4.291 443 1HH2 ARG 57 2HH2 ARG 57 18.155 6.587 -2.197 444 2HH2 ARG 57 1HH2 ARG 57 17.768 7.569 -3.577 445 H ARG 58 H ARG 58 12.880 1.613 2.015 446 HA ARG 58 HA ARG 58 15.633 1.787 2.784 447 1HB ARG 58 2HB ARG 58 13.271 0.646 4.282 448 2HB ARG 58 1HB ARG 58 14.850 0.992 4.975 449 1HG ARG 58 2HG ARG 58 12.663 2.839 4.206 450 2HG ARG 58 1HG ARG 58 13.734 2.870 5.606 451 1HD ARG 58 2HD ARG 58 15.371 4.018 4.499 452 2HD ARG 58 1HD ARG 58 14.939 3.334 2.933 453 HE ARG 58 HE ARG 58 12.850 4.993 3.808 454 1HH1 ARG 58 2HH1 ARG 58 16.153 5.218 2.672 455 2HH1 ARG 58 1HH1 ARG 58 15.959 6.800 1.988 456 1HH2 ARG 58 2HH2 ARG 58 12.580 7.086 2.930 457 2HH2 ARG 58 1HH2 ARG 58 13.913 7.873 2.134 458 H ASP 59 H ASP 59 13.471 -0.743 1.790 459 HA ASP 59 HA ASP 59 15.152 -2.950 2.502 460 1HB ASP 59 2HB ASP 59 12.782 -2.586 0.704 461 2HB ASP 59 1HB ASP 59 13.748 -4.037 0.548 462 H TYR 60 H TYR 60 14.561 -1.066 -0.399 463 HA TYR 60 HA TYR 60 16.479 -2.346 -2.038 464 1HB TYR 60 2HB TYR 60 15.046 -1.207 -3.368 465 2HB TYR 60 1HB TYR 60 14.675 -0.029 -2.123 466 HD1 TYR 60 1HD TYR 60 16.666 -0.797 -5.040 467 HD2 TYR 60 2HD TYR 60 16.040 2.025 -1.916 468 HE1 TYR 60 1HE TYR 60 17.906 0.886 -6.332 469 HE2 TYR 60 2HE TYR 60 17.290 3.719 -3.190 470 HH TYR 60 HH TYR 60 18.669 2.983 -6.391 471 H LEU 61 H LEU 61 16.590 0.222 0.295 472 HA LEU 61 HA LEU 61 19.212 1.182 -0.338 473 1HB LEU 61 2HB LEU 61 17.111 2.127 1.097 474 2HB LEU 61 1HB LEU 61 18.148 1.552 2.389 475 HG LEU 61 HG LEU 61 19.983 2.998 1.407 476 1HD1 LEU 61 1HD1 LEU 61 19.621 4.412 -0.323 477 2HD1 LEU 61 2HD1 LEU 61 18.457 3.167 -0.777 478 3HD1 LEU 61 3HD1 LEU 61 17.911 4.620 0.060 479 1HD2 LEU 61 1HD2 LEU 61 19.341 4.201 3.161 480 2HD2 LEU 61 2HD2 LEU 61 18.299 5.115 2.074 481 3HD2 LEU 61 3HD2 LEU 61 17.658 3.728 2.953 482 H ARG 62 H ARG 62 17.978 -1.521 1.357 483 HA ARG 62 HA ARG 62 20.164 -1.795 3.199 484 1HB ARG 62 2HB ARG 62 17.587 -2.910 2.869 485 2HB ARG 62 1HB ARG 62 18.730 -4.245 2.818 486 1HG ARG 62 2HG ARG 62 18.636 -4.213 5.036 487 2HG ARG 62 1HG ARG 62 19.617 -2.747 4.949 488 1HD ARG 62 2HD ARG 62 17.296 -1.585 4.614 489 2HD ARG 62 1HD ARG 62 16.680 -3.051 5.379 490 HE ARG 62 HE ARG 62 18.770 -1.411 6.671 491 1HH1 ARG 62 2HH1 ARG 62 15.602 -2.938 6.720 492 2HH1 ARG 62 1HH1 ARG 62 15.336 -2.587 8.404 493 1HH2 ARG 62 2HH2 ARG 62 18.393 -0.942 8.873 494 2HH2 ARG 62 1HH2 ARG 62 16.901 -1.468 9.617 495 H LEU 63 H LEU 63 19.571 -2.744 -0.045 496 HA LEU 63 HA LEU 63 21.887 -4.562 0.048 497 1HB LEU 63 2HB LEU 63 20.721 -5.442 -2.155 498 2HB LEU 63 1HB LEU 63 20.289 -6.054 -0.571 499 HG LEU 63 HG LEU 63 18.627 -3.814 -1.097 500 1HD1 LEU 63 1HD1 LEU 63 18.106 -3.874 -3.248 501 2HD1 LEU 63 2HD1 LEU 63 19.411 -5.033 -3.504 502 3HD1 LEU 63 3HD1 LEU 63 17.777 -5.604 -3.160 503 1HD2 LEU 63 1HD2 LEU 63 18.303 -5.968 0.261 504 2HD2 LEU 63 2HD2 LEU 63 16.917 -5.308 -0.607 505 3HD2 LEU 63 3HD2 LEU 63 17.797 -6.685 -1.270 506 H GLY 64 H GLY 64 20.116 -2.220 -1.935 507 1HA GLY 64 1HA GLY 64 22.644 -1.690 -3.359 508 2HA GLY 64 2HA GLY 64 21.098 -1.740 -4.194 509 H GLY 65 H GLY 65 21.808 -0.308 -1.040 510 1HA GLY 65 1HA GLY 65 21.270 2.326 -2.251 511 2HA GLY 65 2HA GLY 65 20.581 1.860 -0.699 512 H SER 66 H SER 66 21.657 2.440 1.037 513 HA SER 66 HA SER 66 24.558 2.635 0.951 514 1HB SER 66 2HB SER 66 22.889 4.929 2.004 515 2HB SER 66 1HB SER 66 24.644 4.862 1.868 516 HG SER 66 HG SER 66 22.931 5.744 0.077 517 H GLY 67 H GLY 67 22.085 1.224 2.375 518 1HA GLY 67 1HA GLY 67 23.025 1.718 5.124 519 2HA GLY 67 2HA GLY 67 21.452 1.068 4.696 520 H GLY 68 H GLY 68 21.256 -0.968 5.295 521 1HA GLY 68 1HA GLY 68 21.781 -3.278 5.233 522 2HA GLY 68 2HA GLY 68 23.415 -2.869 4.722 523 H HIS 69 H HIS 69 21.661 -1.404 7.384 524 HA HIS 69 HA HIS 69 23.563 -2.642 9.276 525 1HB HIS 69 2HB HIS 69 22.526 0.205 9.348 526 2HB HIS 69 1HB HIS 69 23.583 -0.533 10.543 527 HD2 HIS 69 2HD HIS 69 23.737 1.237 7.149 528 HE1 HIS 69 1HE HIS 69 27.654 0.009 8.181 529 HE2 HIS 69 2HE HIS 69 26.243 1.245 6.471 530 H MET 70 H MET 70 22.585 -1.770 11.627 531 HA MET 70 HA MET 70 19.910 -2.964 11.692 532 1HB MET 70 2HB MET 70 21.883 -2.436 13.926 533 2HB MET 70 1HB MET 70 20.299 -3.173 14.135 534 1HG MET 70 2HG MET 70 21.562 -4.658 12.135 535 2HG MET 70 1HG MET 70 22.788 -4.370 13.367 536 1HE MET 70 1HE MET 70 21.667 -7.902 13.551 537 2HE MET 70 2HE MET 70 20.119 -7.454 12.837 538 3HE MET 70 3HE MET 70 21.617 -6.803 12.173 539 H GLY 71 H GLY 71 21.737 -0.186 12.934 540 1HA GLY 71 1HA GLY 71 19.462 1.146 14.024 541 2HA GLY 71 2HA GLY 71 21.042 1.859 13.727 542 H SER 72 H SER 72 17.826 1.771 12.783 543 HA SER 72 HA SER 72 18.425 2.881 10.128 544 1HB SER 72 2HB SER 72 15.618 2.399 10.645 545 2HB SER 72 1HB SER 72 16.659 1.703 9.402 546 HG SER 72 HG SER 72 17.463 0.398 11.352 547 H GLY 73 H GLY 73 17.117 4.705 9.397 548 1HA GLY 73 1HA GLY 73 15.640 6.539 9.888 549 2HA GLY 73 2HA GLY 73 16.120 6.419 11.575 550 H GLY 74 H GLY 74 16.498 8.744 11.394 551 1HA GLY 74 1HA GLY 74 18.901 9.486 9.888 552 2HA GLY 74 2HA GLY 74 17.814 10.598 10.710 553 H ASP 75 H ASP 75 20.760 10.308 10.898 554 HA ASP 75 HA ASP 75 21.336 9.037 13.382 555 1HB ASP 75 2HB ASP 75 22.968 9.490 11.473 556 2HB ASP 75 1HB ASP 75 23.051 11.143 12.073 557 H VAL 76 H VAL 76 20.111 9.827 15.017 558 HA VAL 76 HA VAL 76 20.821 12.499 15.967 559 HB VAL 76 HB VAL 76 18.460 12.278 14.772 560 1HG1 VAL 76 1HG1 VAL 76 17.680 11.596 17.593 561 2HG1 VAL 76 2HG1 VAL 76 16.654 11.687 16.160 562 3HG1 VAL 76 3HG1 VAL 76 17.826 10.378 16.325 563 1HG2 VAL 76 1HG2 VAL 76 17.718 14.177 15.981 564 2HG2 VAL 76 2HG2 VAL 76 18.653 13.718 17.405 565 3HG2 VAL 76 3HG2 VAL 76 19.481 14.257 15.944 566 H MET 77 H MET 77 20.254 12.761 18.306 567 HA MET 77 HA MET 77 21.394 10.818 19.879 568 1HB MET 77 2HB MET 77 19.456 13.013 20.581 569 2HB MET 77 1HB MET 77 20.210 11.990 21.798 570 1HG MET 77 2HG MET 77 22.412 12.699 20.603 571 2HG MET 77 1HG MET 77 21.432 14.035 20.027 572 1HE MET 77 1HE MET 77 20.294 15.702 23.389 573 2HE MET 77 2HE MET 77 20.503 16.028 21.669 574 3HE MET 77 3HE MET 77 19.487 14.685 22.195 575 H VAL 78 H VAL 78 20.745 8.954 20.768 576 HA VAL 78 HA VAL 78 18.186 7.885 20.052 577 HB VAL 78 HB VAL 78 20.268 6.703 21.903 578 1HG1 VAL 78 1HG1 VAL 78 17.819 5.828 21.855 579 2HG1 VAL 78 2HG1 VAL 78 18.288 5.134 20.303 580 3HG1 VAL 78 3HG1 VAL 78 19.154 4.678 21.769 581 1HG2 VAL 78 1HG2 VAL 78 19.945 5.778 19.104 582 2HG2 VAL 78 2HG2 VAL 78 20.780 7.308 19.370 583 3HG2 VAL 78 3HG2 VAL 78 21.386 5.831 20.121 584 H VAL 79 H VAL 79 16.507 8.853 21.068 585 HA VAL 79 HA VAL 79 16.549 8.907 24.012 586 HB VAL 79 HB VAL 79 14.312 10.355 23.111 587 1HG1 VAL 79 1HG1 VAL 79 16.750 11.821 23.923 588 2HG1 VAL 79 2HG1 VAL 79 15.100 11.931 24.537 589 3HG1 VAL 79 3HG1 VAL 79 16.141 10.597 25.038 590 1HG2 VAL 79 1HG2 VAL 79 15.126 10.695 20.934 591 2HG2 VAL 79 2HG2 VAL 79 15.532 12.171 21.809 592 3HG2 VAL 79 3HG2 VAL 79 16.776 10.959 21.501 593 H GLY 80 H GLY 80 15.468 7.121 21.487 594 1HA GLY 80 1HA GLY 80 14.074 5.213 21.724 595 2HA GLY 80 2HA GLY 80 13.274 5.996 23.082 596 H GLU 81 H GLU 81 13.970 7.206 19.839 597 HA GLU 81 HA GLU 81 11.101 7.789 19.538 598 1HB GLU 81 2HB GLU 81 13.593 9.253 18.790 599 2HB GLU 81 1HB GLU 81 12.174 9.458 17.774 600 1HG GLU 81 2HG GLU 81 11.924 9.797 20.723 601 2HG GLU 81 1HG GLU 81 12.630 11.087 19.752 602 HA PRO 82 HA PRO 82 10.952 5.312 15.839 603 1HB PRO 82 2HB PRO 82 9.229 7.294 14.551 604 2HB PRO 82 1HB PRO 82 8.833 5.664 15.096 605 1HG PRO 82 2HG PRO 82 7.871 7.870 16.319 606 2HG PRO 82 1HG PRO 82 8.221 6.367 17.198 607 1HD PRO 82 2HD PRO 82 9.848 8.880 17.008 608 2HD PRO 82 1HD PRO 82 9.526 7.849 18.418 609 H THR 83 H THR 83 11.348 5.416 13.475 610 HA THR 83 HA THR 83 12.754 5.884 11.776 611 HB THR 83 HB THR 83 12.602 8.792 11.972 612 HG1 THR 83 1HG THR 83 10.154 7.371 11.631 613 1HG2 THR 83 1HG2 THR 83 11.848 6.657 10.002 614 2HG2 THR 83 2HG2 THR 83 13.202 7.786 9.920 615 3HG2 THR 83 3HG2 THR 83 11.551 8.370 9.703 616 H LEU 84 H LEU 84 13.605 8.996 13.083 617 HA LEU 84 HA LEU 84 16.246 8.790 12.553 618 1HB LEU 84 2HB LEU 84 15.141 10.388 14.841 619 2HB LEU 84 1HB LEU 84 16.560 10.744 13.879 620 HG LEU 84 HG LEU 84 15.071 12.210 12.993 621 1HD1 LEU 84 1HD1 LEU 84 13.891 10.900 10.968 622 2HD1 LEU 84 2HD1 LEU 84 15.580 11.405 10.976 623 3HD1 LEU 84 3HD1 LEU 84 15.152 9.752 11.420 624 1HD2 LEU 84 1HD2 LEU 84 12.617 11.236 12.482 625 2HD2 LEU 84 2HD2 LEU 84 13.046 10.313 13.922 626 3HD2 LEU 84 3HD2 LEU 84 13.058 12.075 13.969 627 H MET 85 H MET 85 17.310 6.958 13.202 628 HA MET 85 HA MET 85 18.232 7.041 15.948 629 1HB MET 85 2HB MET 85 16.399 5.181 15.440 630 2HB MET 85 1HB MET 85 17.807 4.318 14.836 631 1HG MET 85 2HG MET 85 18.487 3.840 16.890 632 2HG MET 85 1HG MET 85 18.345 5.519 17.400 633 1HE MET 85 1HE MET 85 16.354 2.683 16.146 634 2HE MET 85 2HE MET 85 16.007 1.931 17.703 635 3HE MET 85 3HE MET 85 14.762 2.871 16.880 636 H GLY 86 H GLY 86 18.595 5.491 12.766 637 1HA GLY 86 1HA GLY 86 21.521 5.550 13.177 638 2HA GLY 86 2HA GLY 86 20.682 4.243 12.360 639 H GLY 87 H GLY 87 20.366 4.369 10.164 640 1HA GLY 87 1HA GLY 87 20.968 6.939 8.849 641 2HA GLY 87 2HA GLY 87 21.961 5.538 8.472 642 H GLU 88 H GLU 88 19.608 3.702 8.568 643 HA GLU 88 HA GLU 88 18.713 4.212 5.860 644 1HB GLU 88 2HB GLU 88 17.858 1.896 7.575 645 2HB GLU 88 1HB GLU 88 17.987 1.978 5.822 646 1HG GLU 88 2HG GLU 88 20.227 1.619 5.821 647 2HG GLU 88 1HG GLU 88 20.461 2.395 7.386 648 H PHE 89 H PHE 89 17.360 5.889 5.987 649 HA PHE 89 HA PHE 89 15.690 6.563 8.015 650 1HB PHE 89 2HB PHE 89 15.208 7.334 5.144 651 2HB PHE 89 1HB PHE 89 14.868 8.282 6.595 652 HD1 PHE 89 1HD PHE 89 16.968 8.657 8.143 653 HD2 PHE 89 2HD PHE 89 17.140 7.821 3.967 654 HE1 PHE 89 1HE PHE 89 19.227 9.641 8.039 655 HE2 PHE 89 2HE PHE 89 19.381 8.830 3.857 656 HZ PHE 89 HZ PHE 89 20.428 9.742 5.892 657 H GLY 90 H GLY 90 13.246 7.320 6.588 658 1HA GLY 90 1HA GLY 90 11.845 4.765 7.019 659 2HA GLY 90 2HA GLY 90 11.220 6.336 7.493 660 H ASP 91 H ASP 91 9.792 7.266 6.167 661 HA ASP 91 HA ASP 91 9.628 6.183 3.445 662 1HB ASP 91 2HB ASP 91 7.140 6.525 3.691 663 2HB ASP 91 1HB ASP 91 7.831 5.271 4.705 664 H GLU 92 H GLU 92 7.289 8.470 4.232 665 HA GLU 92 HA GLU 92 6.878 10.633 3.686 666 1HB GLU 92 2HB GLU 92 9.828 10.649 3.591 667 2HB GLU 92 1HB GLU 92 9.028 11.875 2.613 668 1HG GLU 92 2HG GLU 92 8.508 11.413 5.538 669 2HG GLU 92 1HG GLU 92 9.599 12.640 4.889 670 H ASP 93 H ASP 93 9.009 8.926 1.454 671 HA ASP 93 HA ASP 93 7.179 9.699 -0.726 672 1HB ASP 93 2HB ASP 93 9.877 10.260 -0.580 673 2HB ASP 93 1HB ASP 93 9.844 8.785 -1.540 674 H GLU 94 H GLU 94 7.888 7.306 1.277 675 HA GLU 94 HA GLU 94 8.345 5.116 -0.492 676 1HB GLU 94 2HB GLU 94 7.868 5.416 2.433 677 2HB GLU 94 1HB GLU 94 7.732 3.823 1.703 678 1HG GLU 94 2HG GLU 94 10.136 5.164 0.852 679 2HG GLU 94 1HG GLU 94 10.038 5.065 2.609 680 H ARG 95 H ARG 95 6.765 3.123 0.605 681 HA ARG 95 HA ARG 95 4.546 3.238 -1.123 682 1HB ARG 95 2HB ARG 95 5.959 1.251 -0.026 683 2HB ARG 95 1HB ARG 95 4.599 1.244 1.084 684 1HG ARG 95 2HG ARG 95 3.380 0.101 -0.361 685 2HG ARG 95 1HG ARG 95 3.614 1.339 -1.595 686 1HD ARG 95 2HD ARG 95 4.415 -0.715 -2.494 687 2HD ARG 95 1HD ARG 95 5.826 0.273 -2.113 688 HE ARG 95 HE ARG 95 4.944 -2.136 -0.700 689 1HH1 ARG 95 2HH1 ARG 95 7.330 0.367 -1.208 690 2HH1 ARG 95 1HH1 ARG 95 8.466 -0.306 -0.084 691 1HH2 ARG 95 2HH2 ARG 95 6.497 -3.083 0.708 692 2HH2 ARG 95 1HH2 ARG 95 7.990 -2.249 1.021 693 H LEU 96 H LEU 96 3.589 5.262 -0.235 694 HA LEU 96 HA LEU 96 1.968 4.866 2.171 695 1HB LEU 96 2HB LEU 96 2.275 7.332 0.462 696 2HB LEU 96 1HB LEU 96 1.503 7.239 2.034 697 HG LEU 96 HG LEU 96 4.291 6.331 2.028 698 1HD1 LEU 96 1HD1 LEU 96 4.058 8.333 0.353 699 2HD1 LEU 96 2HD1 LEU 96 3.933 9.280 1.835 700 3HD1 LEU 96 3HD1 LEU 96 5.365 8.294 1.535 701 1HD2 LEU 96 1HD2 LEU 96 4.203 8.139 3.921 702 2HD2 LEU 96 2HD2 LEU 96 2.461 7.980 3.700 703 3HD2 LEU 96 3HD2 LEU 96 3.427 6.569 4.137 704 H ILE 97 H ILE 97 0.717 3.248 1.066 705 HA ILE 97 HA ILE 97 -0.746 3.752 -1.276 706 HB ILE 97 HB ILE 97 -2.150 1.826 0.269 707 1HG1 ILE 97 2HG1 ILE 97 0.389 0.547 0.181 708 2HG1 ILE 97 1HG1 ILE 97 0.579 2.047 1.084 709 1HG2 ILE 97 1HG2 ILE 97 -1.092 2.150 -2.281 710 2HG2 ILE 97 2HG2 ILE 97 -0.302 0.710 -1.639 711 3HG2 ILE 97 3HG2 ILE 97 -2.063 0.802 -1.692 712 1HD1 ILE 97 1HD1 ILE 97 -1.672 0.187 1.699 713 2HD1 ILE 97 2HD1 ILE 97 -0.055 -0.109 2.338 714 3HD1 ILE 97 3HD1 ILE 97 -0.898 1.388 2.734 715 H THR 98 H THR 98 -2.991 4.016 -1.570 716 HA THR 98 HA THR 98 -4.193 5.748 0.402 717 HB THR 98 HB THR 98 -5.870 5.492 -1.845 718 HG1 THR 98 1HG THR 98 -3.109 5.792 -2.568 719 1HG2 THR 98 1HG2 THR 98 -5.217 7.462 -0.385 720 2HG2 THR 98 2HG2 THR 98 -5.382 7.785 -2.114 721 3HG2 THR 98 3HG2 THR 98 -3.780 7.590 -1.396 722 H ARG 99 H ARG 99 -5.322 4.775 1.912 723 HA ARG 99 HA ARG 99 -6.452 2.161 1.623 724 1HB ARG 99 2HB ARG 99 -7.050 4.240 3.743 725 2HB ARG 99 1HB ARG 99 -7.336 2.510 3.855 726 1HG ARG 99 2HG ARG 99 -4.599 2.885 3.255 727 2HG ARG 99 1HG ARG 99 -5.016 3.989 4.564 728 1HD ARG 99 2HD ARG 99 -4.563 1.175 4.663 729 2HD ARG 99 1HD ARG 99 -4.869 2.295 5.987 730 HE ARG 99 HE ARG 99 -7.347 1.811 5.037 731 1HH1 ARG 99 2HH1 ARG 99 -4.714 -0.244 6.112 732 2HH1 ARG 99 1HH1 ARG 99 -5.768 -1.558 6.562 733 1HH2 ARG 99 2HH2 ARG 99 -8.719 0.096 5.653 734 2HH2 ARG 99 1HH2 ARG 99 -8.041 -1.381 6.259 735 H LEU 100 H LEU 100 -8.021 2.094 0.027 736 HA LEU 100 HA LEU 100 -10.091 4.165 0.047 737 1HB LEU 100 2HB LEU 100 -8.623 3.151 -2.001 738 2HB LEU 100 1HB LEU 100 -10.075 2.175 -2.123 739 HG LEU 100 HG LEU 100 -11.299 4.492 -2.043 740 1HD1 LEU 100 1HD1 LEU 100 -9.180 5.717 -3.544 741 2HD1 LEU 100 2HD1 LEU 100 -10.060 6.328 -2.142 742 3HD1 LEU 100 3HD1 LEU 100 -8.627 5.327 -1.916 743 1HD2 LEU 100 1HD2 LEU 100 -9.766 3.663 -4.506 744 2HD2 LEU 100 2HD2 LEU 100 -11.247 2.893 -3.939 745 3HD2 LEU 100 3HD2 LEU 100 -11.271 4.580 -4.447 746 H GLU 101 H GLU 101 -12.212 3.183 -0.993 747 HA GLU 101 HA GLU 101 -12.943 0.830 0.612 748 1HB GLU 101 2HB GLU 101 -15.341 2.055 0.132 749 2HB GLU 101 1HB GLU 101 -14.418 2.197 1.621 750 1HG GLU 101 2HG GLU 101 -13.870 4.331 1.230 751 2HG GLU 101 1HG GLU 101 -13.662 4.073 -0.499 752 H ASN 102 H ASN 102 -14.494 -0.592 -0.316 753 HA ASN 102 HA ASN 102 -14.140 -0.941 -3.150 754 1HB ASN 102 2HB ASN 102 -14.451 -2.696 -1.164 755 2HB ASN 102 1HB ASN 102 -16.148 -2.523 -1.610 756 1HD2 ASN 102 1HD2 ASN 102 -14.640 -4.887 -1.811 757 2HD2 ASN 102 2HD2 ASN 102 -14.524 -5.313 -3.494 758 H THR 103 H THR 103 -15.879 -1.095 -4.692 759 HA THR 103 HA THR 103 -17.775 0.997 -4.540 760 HB THR 103 HB THR 103 -17.453 -1.347 -6.407 761 HG1 THR 103 1HG THR 103 -16.708 1.318 -6.301 762 1HG2 THR 103 1HG2 THR 103 -19.215 -0.448 -7.807 763 2HG2 THR 103 2HG2 THR 103 -19.519 0.845 -6.647 764 3HG2 THR 103 3HG2 THR 103 -19.862 -0.829 -6.211 765 H GLN 104 H GLN 104 -17.960 -2.473 -4.044 766 HA GLN 104 HA GLN 104 -20.684 -2.215 -2.999 767 1HB GLN 104 2HB GLN 104 -19.011 -4.664 -3.597 768 2HB GLN 104 1HB GLN 104 -20.614 -4.709 -2.875 769 1HG GLN 104 2HG GLN 104 -21.257 -3.321 -5.015 770 2HG GLN 104 1HG GLN 104 -19.802 -4.077 -5.661 771 1HE2 GLN 104 1HE2 GLN 104 -20.610 -6.317 -3.606 772 2HE2 GLN 104 2HE2 GLN 104 -21.729 -7.266 -4.534 773 H PHE 105 H PHE 105 -19.307 -0.843 -1.428 774 HA PHE 105 HA PHE 105 -17.738 -2.207 0.509 775 1HB PHE 105 2HB PHE 105 -17.094 -0.056 0.639 776 2HB PHE 105 1HB PHE 105 -18.609 0.531 -0.025 777 HD1 PHE 105 1HD PHE 105 -16.957 -0.570 3.095 778 HD2 PHE 105 2HD PHE 105 -20.240 1.494 1.342 779 HE1 PHE 105 1HE PHE 105 -17.562 0.333 5.303 780 HE2 PHE 105 2HE PHE 105 -20.851 2.399 3.549 781 HZ PHE 105 HZ PHE 105 -19.510 1.820 5.531 782 H ASP 106 H ASP 106 -21.053 -1.568 0.075 783 HA ASP 106 HA ASP 106 -22.749 -1.556 1.878 784 1HB ASP 106 2HB ASP 106 -22.710 -3.122 -0.260 785 2HB ASP 106 1HB ASP 106 -22.606 -4.379 0.963 786 H ALA 107 H ALA 107 -21.065 -4.655 1.970 787 HA ALA 107 HA ALA 107 -20.275 -5.947 3.664 788 1HB ALA 107 1HB ALA 107 -19.726 -5.034 5.805 789 2HB ALA 107 2HB ALA 107 -19.299 -3.846 4.573 790 3HB ALA 107 3HB ALA 107 -20.764 -3.636 5.531 791 H ALA 108 H ALA 108 -22.483 -6.753 2.926 792 HA ALA 108 HA ALA 108 -24.763 -6.378 4.517 793 1HB ALA 108 1HB ALA 108 -25.110 -8.857 3.364 794 2HB ALA 108 2HB ALA 108 -25.521 -7.304 2.639 795 3HB ALA 108 3HB ALA 108 -23.967 -8.059 2.285 796 H ASN 109 H ASN 109 -22.006 -8.368 5.036 797 HA ASN 109 HA ASN 109 -23.408 -9.736 7.243 798 1HB ASN 109 2HB ASN 109 -22.809 -11.174 5.240 799 2HB ASN 109 1HB ASN 109 -21.122 -10.902 5.654 800 1HD2 ASN 109 1HD2 ASN 109 -20.780 -13.079 6.002 801 2HD2 ASN 109 2HD2 ASN 109 -21.386 -13.896 7.418 802 H GLY 110 H GLY 110 -22.223 -7.325 7.732 803 1HA GLY 110 1HA GLY 110 -20.833 -6.400 9.330 804 2HA GLY 110 2HA GLY 110 -20.272 -8.022 9.718 805 H ILE 111 H ILE 111 -18.231 -8.502 9.206 806 HA ILE 111 HA ILE 111 -16.812 -6.702 7.366 807 HB ILE 111 HB ILE 111 -15.426 -8.904 8.850 808 1HG1 ILE 111 2HG1 ILE 111 -15.631 -6.253 10.180 809 2HG1 ILE 111 1HG1 ILE 111 -17.041 -7.301 10.286 810 1HG2 ILE 111 1HG2 ILE 111 -13.678 -7.031 8.946 811 2HG2 ILE 111 2HG2 ILE 111 -14.012 -7.755 7.371 812 3HG2 ILE 111 3HG2 ILE 111 -14.707 -6.188 7.786 813 1HD1 ILE 111 1HD1 ILE 111 -15.277 -7.394 12.147 814 2HD1 ILE 111 2HD1 ILE 111 -15.904 -8.910 11.499 815 3HD1 ILE 111 3HD1 ILE 111 -14.323 -8.321 10.989 816 H ASP 112 H ASP 112 -18.668 -8.285 6.209 817 HA ASP 112 HA ASP 112 -17.133 -9.736 4.276 818 1HB ASP 112 2HB ASP 112 -17.334 -11.599 5.742 819 2HB ASP 112 1HB ASP 112 -18.996 -11.193 6.158 820 H ASP 113 H ASP 113 -18.198 -9.699 2.323 821 HA ASP 113 HA ASP 113 -20.929 -8.590 2.402 822 1HB ASP 113 2HB ASP 113 -18.955 -7.117 1.551 823 2HB ASP 113 1HB ASP 113 -19.091 -8.091 0.088 824 H GLU 114 H GLU 114 -22.023 -8.857 0.165 825 HA GLU 114 HA GLU 114 -21.734 -11.686 -0.599 826 1HB GLU 114 2HB GLU 114 -23.930 -10.747 0.409 827 2HB GLU 114 1HB GLU 114 -24.149 -9.974 -1.153 828 1HG GLU 114 2HG GLU 114 -23.625 -12.524 -1.903 829 2HG GLU 114 1HG GLU 114 -24.458 -12.778 -0.368 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -21.177 -3.226 -8.185 2 2H GLY 1 2H GLY 1 -21.739 -3.957 -9.608 3 3H GLY 1 3H GLY 1 -21.584 -2.275 -9.525 4 1HA GLY 1 2HA GLY 1 -19.762 -3.111 -10.789 5 2HA GLY 1 1HA GLY 1 -19.163 -2.538 -9.238 6 H SER 2 H SER 2 -17.631 -4.275 -10.651 7 HA SER 2 HA SER 2 -18.128 -6.957 -9.632 8 1HB SER 2 2HB SER 2 -15.602 -6.566 -11.025 9 2HB SER 2 1HB SER 2 -16.945 -7.637 -11.424 10 HG SER 2 HG SER 2 -18.006 -5.726 -12.302 11 H LEU 3 H LEU 3 -16.289 -8.112 -8.573 12 HA LEU 3 HA LEU 3 -15.217 -6.499 -6.438 13 1HB LEU 3 2HB LEU 3 -14.474 -9.341 -7.081 14 2HB LEU 3 1HB LEU 3 -14.331 -8.520 -5.543 15 HG LEU 3 HG LEU 3 -17.052 -8.823 -6.717 16 1HD1 LEU 3 1HD1 LEU 3 -16.448 -11.037 -7.017 17 2HD1 LEU 3 2HD1 LEU 3 -15.369 -11.039 -5.622 18 3HD1 LEU 3 3HD1 LEU 3 -17.116 -11.036 -5.385 19 1HD2 LEU 3 1HD2 LEU 3 -15.920 -7.948 -4.289 20 2HD2 LEU 3 2HD2 LEU 3 -17.627 -8.092 -4.708 21 3HD2 LEU 3 3HD2 LEU 3 -16.790 -9.444 -3.944 22 H LEU 4 H LEU 4 -12.864 -6.613 -5.920 23 HA LEU 4 HA LEU 4 -11.361 -6.115 -8.391 24 1HB LEU 4 2HB LEU 4 -10.645 -5.190 -5.619 25 2HB LEU 4 1HB LEU 4 -9.969 -4.636 -7.142 26 HG LEU 4 HG LEU 4 -12.722 -4.137 -7.332 27 1HD1 LEU 4 1HD1 LEU 4 -13.450 -3.942 -5.236 28 2HD1 LEU 4 2HD1 LEU 4 -11.818 -4.038 -4.574 29 3HD1 LEU 4 3HD1 LEU 4 -12.451 -2.493 -5.138 30 1HD2 LEU 4 1HD2 LEU 4 -10.950 -1.933 -6.509 31 2HD2 LEU 4 2HD2 LEU 4 -10.410 -2.878 -7.897 32 3HD2 LEU 4 3HD2 LEU 4 -11.987 -2.090 -7.926 33 H THR 5 H THR 5 -9.019 -6.604 -8.295 34 HA THR 5 HA THR 5 -8.531 -9.048 -6.720 35 HB THR 5 HB THR 5 -6.899 -9.417 -8.835 36 HG1 THR 5 1HG THR 5 -9.294 -8.267 -9.914 37 1HG2 THR 5 1HG2 THR 5 -9.677 -10.330 -9.258 38 2HG2 THR 5 2HG2 THR 5 -8.948 -10.731 -7.703 39 3HG2 THR 5 3HG2 THR 5 -8.176 -11.253 -9.201 40 H CYS 6 H CYS 6 -6.799 -9.011 -5.505 41 HA CYS 6 HA CYS 6 -5.077 -6.709 -5.549 42 1HB CYS 6 2HB CYS 6 -5.170 -7.138 -3.357 43 2HB CYS 6 1HB CYS 6 -5.888 -8.720 -3.641 44 H GLY 7 H GLY 7 -3.008 -6.634 -6.200 45 1HA GLY 7 1HA GLY 7 -2.130 -8.775 -7.924 46 2HA GLY 7 2HA GLY 7 -1.333 -7.227 -7.689 47 H GLY 8 H GLY 8 -1.984 -8.594 -4.723 48 1HA GLY 8 1HA GLY 8 0.828 -9.374 -4.455 49 2HA GLY 8 2HA GLY 8 -0.274 -8.991 -3.142 50 H CYS 9 H CYS 9 -2.402 -10.638 -3.676 51 HA CYS 9 HA CYS 9 -1.159 -13.307 -3.511 52 1HB CYS 9 2HB CYS 9 -2.782 -13.957 -1.869 53 2HB CYS 9 1HB CYS 9 -2.063 -12.439 -1.345 54 H GLN 10 H GLN 10 -3.521 -11.332 -4.978 55 HA GLN 10 HA GLN 10 -4.961 -11.609 -6.691 56 1HB GLN 10 2HB GLN 10 -2.997 -13.801 -7.065 57 2HB GLN 10 1HB GLN 10 -4.467 -13.863 -8.029 58 1HG GLN 10 2HG GLN 10 -3.316 -12.602 -9.464 59 2HG GLN 10 1HG GLN 10 -3.728 -11.281 -8.373 60 1HE2 GLN 10 1HE2 GLN 10 -1.768 -10.410 -9.441 61 2HE2 GLN 10 2HE2 GLN 10 -0.230 -10.760 -8.705 62 H GLN 11 H GLN 11 -5.613 -12.843 -4.027 63 HA GLN 11 HA GLN 11 -7.310 -15.072 -4.815 64 1HB GLN 11 2HB GLN 11 -7.509 -15.594 -2.562 65 2HB GLN 11 1HB GLN 11 -5.886 -14.939 -2.668 66 1HG GLN 11 2HG GLN 11 -6.354 -13.389 -1.165 67 2HG GLN 11 1HG GLN 11 -7.743 -12.833 -2.095 68 1HE2 GLN 11 1HE2 GLN 11 -9.774 -13.598 -1.601 69 2HE2 GLN 11 2HE2 GLN 11 -10.123 -14.459 -0.137 70 H ASN 12 H ASN 12 -7.710 -12.040 -5.388 71 HA ASN 12 HA ASN 12 -9.493 -10.718 -5.852 72 1HB ASN 12 2HB ASN 12 -10.716 -12.755 -6.479 73 2HB ASN 12 1HB ASN 12 -11.170 -13.011 -4.797 74 1HD2 ASN 12 1HD2 ASN 12 -12.926 -12.009 -4.006 75 2HD2 ASN 12 2HD2 ASN 12 -13.899 -10.887 -4.908 76 H ILE 13 H ILE 13 -10.130 -8.984 -4.773 77 HA ILE 13 HA ILE 13 -9.951 -8.992 -1.885 78 HB ILE 13 HB ILE 13 -10.714 -6.663 -3.619 79 1HG1 ILE 13 2HG1 ILE 13 -7.913 -7.055 -2.678 80 2HG1 ILE 13 1HG1 ILE 13 -8.445 -7.966 -4.087 81 1HG2 ILE 13 1HG2 ILE 13 -10.643 -6.958 -0.880 82 2HG2 ILE 13 2HG2 ILE 13 -9.101 -6.182 -1.252 83 3HG2 ILE 13 3HG2 ILE 13 -10.614 -5.430 -1.764 84 1HD1 ILE 13 1HD1 ILE 13 -8.939 -5.040 -4.020 85 2HD1 ILE 13 2HD1 ILE 13 -7.301 -5.627 -4.328 86 3HD1 ILE 13 3HD1 ILE 13 -8.626 -6.106 -5.391 87 H GLY 14 H GLY 14 -11.636 -9.871 -0.894 88 1HA GLY 14 1HA GLY 14 -14.343 -9.060 -1.752 89 2HA GLY 14 2HA GLY 14 -13.965 -10.549 -0.886 90 H ASP 15 H ASP 15 -12.181 -7.926 0.177 91 HA ASP 15 HA ASP 15 -13.401 -7.928 2.758 92 1HB ASP 15 2HB ASP 15 -11.140 -6.446 1.476 93 2HB ASP 15 1HB ASP 15 -11.819 -5.818 2.972 94 H ARG 16 H ARG 16 -13.499 -5.405 3.645 95 HA ARG 16 HA ARG 16 -15.690 -4.247 2.080 96 1HB ARG 16 2HB ARG 16 -16.291 -2.990 4.053 97 2HB ARG 16 1HB ARG 16 -16.099 -4.680 4.491 98 1HG ARG 16 2HG ARG 16 -14.873 -3.884 6.176 99 2HG ARG 16 1HG ARG 16 -13.608 -3.710 4.957 100 1HD ARG 16 2HD ARG 16 -13.844 -1.449 4.832 101 2HD ARG 16 1HD ARG 16 -15.562 -1.498 5.214 102 HE ARG 16 HE ARG 16 -14.417 -2.231 7.549 103 1HH1 ARG 16 2HH1 ARG 16 -13.828 0.434 5.356 104 2HH1 ARG 16 1HH1 ARG 16 -13.378 1.557 6.603 105 1HH2 ARG 16 2HH2 ARG 16 -13.831 -0.765 9.217 106 2HH2 ARG 16 1HH2 ARG 16 -13.355 0.862 8.802 107 H TYR 17 H TYR 17 -12.427 -3.759 3.026 108 HA TYR 17 HA TYR 17 -12.318 -1.272 1.489 109 1HB TYR 17 2HB TYR 17 -12.392 -1.192 4.224 110 2HB TYR 17 1HB TYR 17 -10.661 -1.297 3.931 111 HD1 TYR 17 1HD TYR 17 -9.462 0.638 3.479 112 HD2 TYR 17 2HD TYR 17 -13.672 0.633 2.907 113 HE1 TYR 17 1HE TYR 17 -9.400 3.054 3.033 114 HE2 TYR 17 2HE TYR 17 -13.617 3.043 2.455 115 HH TYR 17 HH TYR 17 -10.840 4.726 1.767 116 H PHE 18 H PHE 18 -10.166 -0.828 0.679 117 HA PHE 18 HA PHE 18 -8.101 -2.790 1.159 118 1HB PHE 18 2HB PHE 18 -7.954 -3.699 -1.021 119 2HB PHE 18 1HB PHE 18 -9.645 -3.821 -0.560 120 HD1 PHE 18 1HD PHE 18 -7.474 -3.003 -3.129 121 HD2 PHE 18 2HD PHE 18 -11.098 -1.691 -1.331 122 HE1 PHE 18 1HE PHE 18 -8.102 -1.878 -5.219 123 HE2 PHE 18 2HE PHE 18 -11.732 -0.568 -3.418 124 HZ PHE 18 HZ PHE 18 -10.235 -0.660 -5.367 125 H LEU 19 H LEU 19 -6.292 -2.399 -0.557 126 HA LEU 19 HA LEU 19 -5.877 0.516 -0.766 127 1HB LEU 19 2HB LEU 19 -4.161 -1.687 0.213 128 2HB LEU 19 1HB LEU 19 -3.367 -0.571 -0.877 129 HG LEU 19 HG LEU 19 -4.845 0.421 1.551 130 1HD1 LEU 19 1HD1 LEU 19 -1.988 0.280 1.900 131 2HD1 LEU 19 2HD1 LEU 19 -3.282 -0.291 2.952 132 3HD1 LEU 19 3HD1 LEU 19 -2.677 -1.326 1.660 133 1HD2 LEU 19 1HD2 LEU 19 -2.406 1.598 0.268 134 2HD2 LEU 19 2HD2 LEU 19 -4.002 1.875 -0.430 135 3HD2 LEU 19 3HD2 LEU 19 -3.660 2.388 1.222 136 H LYS 20 H LYS 20 -4.919 1.251 -2.733 137 HA LYS 20 HA LYS 20 -4.002 -0.599 -4.700 138 1HB LYS 20 2HB LYS 20 -5.905 -1.035 -5.788 139 2HB LYS 20 1HB LYS 20 -6.808 0.002 -4.698 140 1HG LYS 20 2HG LYS 20 -5.329 1.376 -6.842 141 2HG LYS 20 1HG LYS 20 -6.657 0.355 -7.360 142 1HD LYS 20 2HD LYS 20 -7.131 2.208 -5.086 143 2HD LYS 20 1HD LYS 20 -7.028 2.889 -6.711 144 1HE LYS 20 2HE LYS 20 -8.735 0.493 -6.328 145 2HE LYS 20 1HE LYS 20 -9.315 2.023 -5.669 146 1HZ LYS 20 1HZ LYS 20 -8.346 1.927 -8.447 147 2HZ LYS 20 2HZ LYS 20 -9.498 2.954 -7.741 148 3HZ LYS 20 3HZ LYS 20 -9.900 1.344 -8.085 149 H ALA 21 H ALA 21 -2.886 0.476 -6.408 150 HA ALA 21 HA ALA 21 -3.044 3.107 -7.170 151 1HB ALA 21 1HB ALA 21 -0.829 3.048 -5.167 152 2HB ALA 21 2HB ALA 21 -1.668 4.430 -5.871 153 3HB ALA 21 3HB ALA 21 -2.472 3.436 -4.657 154 H ILE 22 H ILE 22 -0.572 0.821 -6.091 155 HA ILE 22 HA ILE 22 1.598 1.544 -7.461 156 HB ILE 22 HB ILE 22 0.590 -1.245 -6.943 157 1HG1 ILE 22 2HG1 ILE 22 2.622 0.579 -5.643 158 2HG1 ILE 22 1HG1 ILE 22 1.122 -0.020 -4.948 159 1HG2 ILE 22 1HG2 ILE 22 3.394 -1.269 -7.319 160 2HG2 ILE 22 2HG2 ILE 22 2.157 -2.120 -8.239 161 3HG2 ILE 22 3HG2 ILE 22 2.670 -0.508 -8.732 162 1HD1 ILE 22 1HD1 ILE 22 2.839 -1.244 -3.930 163 2HD1 ILE 22 2HD1 ILE 22 2.137 -2.334 -5.129 164 3HD1 ILE 22 3HD1 ILE 22 3.666 -1.519 -5.463 165 H ASP 23 H ASP 23 -0.979 -0.417 -8.830 166 HA ASP 23 HA ASP 23 -0.831 0.557 -11.414 167 1HB ASP 23 2HB ASP 23 1.390 -0.549 -11.498 168 2HB ASP 23 1HB ASP 23 0.631 -2.082 -11.086 169 H GLN 24 H GLN 24 -1.589 -1.774 -9.102 170 HA GLN 24 HA GLN 24 -4.058 -2.437 -10.497 171 1HB GLN 24 2HB GLN 24 -3.812 -4.800 -9.615 172 2HB GLN 24 1HB GLN 24 -2.735 -4.363 -10.933 173 1HG GLN 24 2HG GLN 24 -1.552 -3.827 -8.348 174 2HG GLN 24 1HG GLN 24 -2.017 -5.517 -8.534 175 1HE2 GLN 24 1HE2 GLN 24 0.645 -4.258 -8.416 176 2HE2 GLN 24 2HE2 GLN 24 1.457 -4.741 -9.871 177 H TYR 25 H TYR 25 -5.158 -4.063 -8.624 178 HA TYR 25 HA TYR 25 -5.468 -2.255 -6.352 179 1HB TYR 25 2HB TYR 25 -7.108 -4.735 -6.781 180 2HB TYR 25 1HB TYR 25 -7.553 -3.234 -5.964 181 HD1 TYR 25 1HD TYR 25 -8.423 -5.098 -8.621 182 HD2 TYR 25 2HD TYR 25 -7.119 -1.131 -7.800 183 HE1 TYR 25 1HE TYR 25 -9.514 -4.314 -10.683 184 HE2 TYR 25 2HE TYR 25 -8.209 -0.337 -9.855 185 HH TYR 25 HH TYR 25 -9.131 -0.995 -11.820 186 H TRP 26 H TRP 26 -5.515 -3.195 -4.190 187 HA TRP 26 HA TRP 26 -3.885 -5.618 -3.919 188 1HB TRP 26 2HB TRP 26 -3.356 -2.957 -2.575 189 2HB TRP 26 1HB TRP 26 -2.511 -4.453 -2.205 190 HD1 TRP 26 HD TRP 26 -2.638 -1.642 -4.751 191 HE1 TRP 26 1HE TRP 26 -0.629 -1.876 -6.344 192 HE3 TRP 26 3HE TRP 26 -0.961 -6.224 -3.265 193 HZ2 TRP 26 2HZ TRP 26 1.394 -3.763 -6.903 194 HZ3 TRP 26 3HZ TRP 26 1.016 -7.178 -4.373 195 HH2 TRP 26 HH TRP 26 2.173 -5.968 -6.154 196 H HIS 27 H HIS 27 -3.539 -5.702 -1.318 197 HA HIS 27 HA HIS 27 -6.227 -5.557 -0.125 198 1HB HIS 27 2HB HIS 27 -4.108 -7.645 0.042 199 2HB HIS 27 1HB HIS 27 -4.984 -7.280 1.522 200 HD2 HIS 27 2HD HIS 27 -7.973 -7.277 0.783 201 HE1 HIS 27 1HE HIS 27 -7.205 -10.781 -1.470 202 HE2 HIS 27 2HE HIS 27 -8.952 -9.506 -0.131 203 H GLU 28 H GLU 28 -6.175 -5.009 2.199 204 HA GLU 28 HA GLU 28 -4.598 -2.778 2.773 205 1HB GLU 28 2HB GLU 28 -5.972 -4.625 4.730 206 2HB GLU 28 1HB GLU 28 -5.552 -2.945 4.976 207 1HG GLU 28 2HG GLU 28 -7.141 -3.008 2.677 208 2HG GLU 28 1HG GLU 28 -7.924 -4.063 3.855 209 H ASP 29 H ASP 29 -4.388 -6.139 3.965 210 HA ASP 29 HA ASP 29 -1.804 -5.508 5.191 211 1HB ASP 29 2HB ASP 29 -3.954 -7.004 6.075 212 2HB ASP 29 1HB ASP 29 -2.785 -8.224 5.580 213 H CYS 30 H CYS 30 -2.616 -6.319 2.249 214 HA CYS 30 HA CYS 30 -0.672 -8.473 1.869 215 1HB CYS 30 2HB CYS 30 -2.891 -7.366 0.304 216 2HB CYS 30 1HB CYS 30 -1.454 -7.729 -0.642 217 H LEU 31 H LEU 31 -1.200 -5.093 1.232 218 HA LEU 31 HA LEU 31 1.190 -4.700 -0.280 219 1HB LEU 31 2HB LEU 31 -1.011 -3.268 -0.119 220 2HB LEU 31 1HB LEU 31 -0.167 -2.488 1.205 221 HG LEU 31 HG LEU 31 1.554 -1.689 -0.232 222 1HD1 LEU 31 1HD1 LEU 31 2.246 -2.820 -2.001 223 2HD1 LEU 31 2HD1 LEU 31 0.921 -3.962 -1.779 224 3HD1 LEU 31 3HD1 LEU 31 0.702 -2.548 -2.807 225 1HD2 LEU 31 1HD2 LEU 31 -0.570 -1.183 -2.164 226 2HD2 LEU 31 2HD2 LEU 31 -1.071 -0.927 -0.494 227 3HD2 LEU 31 3HD2 LEU 31 0.321 -0.059 -1.139 228 H SER 32 H SER 32 2.496 -5.939 1.332 229 HA SER 32 HA SER 32 3.565 -4.100 3.371 230 1HB SER 32 2HB SER 32 4.044 -6.989 3.771 231 2HB SER 32 1HB SER 32 3.626 -5.740 4.946 232 HG SER 32 HG SER 32 1.810 -6.887 3.086 233 H CYS 33 H CYS 33 5.848 -4.354 3.797 234 HA CYS 33 HA CYS 33 7.439 -4.177 1.583 235 1HB CYS 33 2HB CYS 33 7.865 -4.525 4.497 236 2HB CYS 33 1HB CYS 33 9.245 -4.798 3.449 237 H ASP 34 H ASP 34 9.348 -5.483 1.030 238 HA ASP 34 HA ASP 34 8.615 -8.276 0.741 239 1HB ASP 34 2HB ASP 34 9.816 -6.576 -0.982 240 2HB ASP 34 1HB ASP 34 11.235 -7.343 -0.273 241 H LEU 35 H LEU 35 11.516 -6.510 1.818 242 HA LEU 35 HA LEU 35 12.492 -8.868 3.178 243 1HB LEU 35 2HB LEU 35 14.036 -7.337 2.047 244 2HB LEU 35 1HB LEU 35 13.554 -6.044 3.129 245 HG LEU 35 HG LEU 35 14.356 -7.909 4.923 246 1HD1 LEU 35 1HD1 LEU 35 15.311 -8.844 2.430 247 2HD1 LEU 35 2HD1 LEU 35 16.695 -8.234 3.335 248 3HD1 LEU 35 3HD1 LEU 35 15.658 -9.473 4.041 249 1HD2 LEU 35 1HD2 LEU 35 14.995 -5.480 4.663 250 2HD2 LEU 35 2HD2 LEU 35 16.263 -6.551 5.258 251 3HD2 LEU 35 3HD2 LEU 35 16.274 -6.024 3.577 252 H CYS 36 H CYS 36 11.780 -5.545 4.266 253 HA CYS 36 HA CYS 36 11.839 -5.978 6.987 254 1HB CYS 36 2HB CYS 36 9.830 -4.109 5.772 255 2HB CYS 36 1HB CYS 36 10.844 -3.875 7.194 256 H GLY 37 H GLY 37 8.944 -5.929 4.939 257 1HA GLY 37 1HA GLY 37 7.130 -7.371 4.994 258 2HA GLY 37 2HA GLY 37 7.844 -8.163 6.395 259 H CYS 38 H CYS 38 7.598 -4.762 6.660 260 HA CYS 38 HA CYS 38 5.647 -5.020 8.763 261 1HB CYS 38 2HB CYS 38 5.895 -2.359 8.494 262 2HB CYS 38 1HB CYS 38 7.066 -3.339 9.363 263 HG CYS 38 HG CYS 38 8.479 -1.480 7.855 264 H ARG 39 H ARG 39 5.539 -2.377 6.511 265 HA ARG 39 HA ARG 39 3.344 -3.293 4.971 266 1HB ARG 39 2HB ARG 39 2.659 -2.112 7.477 267 2HB ARG 39 1HB ARG 39 2.233 -0.967 6.212 268 1HG ARG 39 2HG ARG 39 1.075 -2.942 5.069 269 2HG ARG 39 1HG ARG 39 1.229 -3.760 6.626 270 1HD ARG 39 2HD ARG 39 0.207 -1.424 7.450 271 2HD ARG 39 1HD ARG 39 -0.483 -1.485 5.828 272 HE ARG 39 HE ARG 39 -0.792 -3.856 7.500 273 1HH1 ARG 39 2HH1 ARG 39 -2.202 -0.904 6.250 274 2HH1 ARG 39 1HH1 ARG 39 -3.845 -1.437 6.475 275 1HH2 ARG 39 2HH2 ARG 39 -2.950 -4.574 7.810 276 2HH2 ARG 39 1HH2 ARG 39 -4.271 -3.526 7.369 277 H LEU 40 H LEU 40 3.016 -1.941 3.197 278 HA LEU 40 HA LEU 40 5.259 -0.333 2.583 279 1HB LEU 40 2HB LEU 40 2.862 -1.272 1.194 280 2HB LEU 40 1HB LEU 40 3.459 0.279 0.629 281 HG LEU 40 HG LEU 40 5.717 -1.365 0.868 282 1HD1 LEU 40 1HD1 LEU 40 3.318 -2.816 -0.119 283 2HD1 LEU 40 2HD1 LEU 40 4.885 -3.120 -0.866 284 3HD1 LEU 40 3HD1 LEU 40 4.666 -3.393 0.864 285 1HD2 LEU 40 1HD2 LEU 40 4.114 -0.348 -1.458 286 2HD2 LEU 40 2HD2 LEU 40 5.588 0.327 -0.761 287 3HD2 LEU 40 3HD2 LEU 40 5.648 -1.197 -1.647 288 H GLY 41 H GLY 41 5.647 1.663 3.099 289 1HA GLY 41 1HA GLY 41 4.961 4.005 2.862 290 2HA GLY 41 2HA GLY 41 3.380 3.513 3.461 291 H GLU 42 H GLU 42 3.726 2.123 5.595 292 HA GLU 42 HA GLU 42 3.963 2.346 7.848 293 1HB GLU 42 2HB GLU 42 6.711 2.574 6.716 294 2HB GLU 42 1HB GLU 42 6.495 2.878 8.434 295 1HG GLU 42 2HG GLU 42 5.719 0.372 6.963 296 2HG GLU 42 1HG GLU 42 7.103 0.571 8.039 297 H VAL 43 H VAL 43 6.561 4.546 7.871 298 HA VAL 43 HA VAL 43 4.734 6.735 8.583 299 HB VAL 43 HB VAL 43 7.682 6.933 9.049 300 1HG1 VAL 43 1HG1 VAL 43 5.885 7.946 11.071 301 2HG1 VAL 43 2HG1 VAL 43 7.097 8.798 10.114 302 3HG1 VAL 43 3HG1 VAL 43 5.469 8.559 9.467 303 1HG2 VAL 43 1HG2 VAL 43 5.767 5.623 10.978 304 2HG2 VAL 43 2HG2 VAL 43 6.973 4.761 10.024 305 3HG2 VAL 43 3HG2 VAL 43 7.481 5.934 11.242 306 H GLY 44 H GLY 44 4.226 7.274 6.501 307 1HA GLY 44 1HA GLY 44 5.513 9.225 5.137 308 2HA GLY 44 2HA GLY 44 6.287 7.764 4.539 309 H ARG 45 H ARG 45 4.933 9.395 2.812 310 HA ARG 45 HA ARG 45 2.600 7.713 2.159 311 1HB ARG 45 2HB ARG 45 1.773 9.858 0.943 312 2HB ARG 45 1HB ARG 45 1.537 9.704 2.677 313 1HG ARG 45 2HG ARG 45 2.597 11.620 2.986 314 2HG ARG 45 1HG ARG 45 4.055 10.931 2.269 315 1HD ARG 45 2HD ARG 45 3.347 12.993 1.134 316 2HD ARG 45 1HD ARG 45 3.320 11.596 0.060 317 HE ARG 45 HE ARG 45 0.768 11.877 1.165 318 1HH1 ARG 45 2HH1 ARG 45 2.900 13.663 -0.964 319 2HH1 ARG 45 1HH1 ARG 45 1.609 14.366 -1.887 320 1HH2 ARG 45 2HH2 ARG 45 -0.940 12.784 -0.051 321 2HH2 ARG 45 1HH2 ARG 45 -0.580 13.881 -1.360 322 H ARG 46 H ARG 46 5.616 8.150 1.375 323 HA ARG 46 HA ARG 46 5.374 8.495 -1.495 324 1HB ARG 46 2HB ARG 46 7.885 7.556 -0.154 325 2HB ARG 46 1HB ARG 46 7.699 8.577 -1.573 326 1HG ARG 46 2HG ARG 46 6.541 9.982 0.563 327 2HG ARG 46 1HG ARG 46 8.065 9.321 1.162 328 1HD ARG 46 2HD ARG 46 9.058 11.060 0.181 329 2HD ARG 46 1HD ARG 46 8.705 10.268 -1.354 330 HE ARG 46 HE ARG 46 7.067 11.823 -1.769 331 1HH1 ARG 46 2HH1 ARG 46 8.231 12.184 1.529 332 2HH1 ARG 46 1HH1 ARG 46 7.189 13.543 1.874 333 1HH2 ARG 46 2HH2 ARG 46 5.748 13.625 -1.334 334 2HH2 ARG 46 1HH2 ARG 46 5.814 14.395 0.229 335 H LEU 47 H LEU 47 4.146 6.751 -2.181 336 HA LEU 47 HA LEU 47 4.931 4.071 -1.409 337 1HB LEU 47 2HB LEU 47 2.525 5.160 -2.014 338 2HB LEU 47 1HB LEU 47 2.929 4.404 -3.543 339 HG LEU 47 HG LEU 47 1.536 3.006 -1.991 340 1HD1 LEU 47 1HD1 LEU 47 3.541 1.110 -2.152 341 2HD1 LEU 47 2HD1 LEU 47 2.339 1.474 -3.389 342 3HD1 LEU 47 3HD1 LEU 47 3.923 2.245 -3.445 343 1HD2 LEU 47 1HD2 LEU 47 2.162 2.975 0.147 344 2HD2 LEU 47 2HD2 LEU 47 3.426 1.850 -0.353 345 3HD2 LEU 47 3HD2 LEU 47 3.777 3.574 -0.234 346 H TYR 48 H TYR 48 6.954 3.945 -2.288 347 HA TYR 48 HA TYR 48 7.164 3.819 -5.196 348 1HB TYR 48 2HB TYR 48 9.652 3.225 -4.428 349 2HB TYR 48 1HB TYR 48 9.097 4.887 -4.587 350 HD1 TYR 48 1HD TYR 48 10.250 6.093 -2.948 351 HD2 TYR 48 2HD TYR 48 8.433 2.396 -1.933 352 HE1 TYR 48 1HE TYR 48 10.784 6.489 -0.576 353 HE2 TYR 48 2HE TYR 48 8.961 2.772 0.442 354 HH TYR 48 HH TYR 48 10.278 5.811 1.569 355 H TYR 49 H TYR 49 8.255 1.851 -6.101 356 HA TYR 49 HA TYR 49 8.191 -0.528 -4.465 357 1HB TYR 49 2HB TYR 49 6.408 -1.652 -5.445 358 2HB TYR 49 1HB TYR 49 5.784 -0.013 -5.299 359 HD1 TYR 49 1HD TYR 49 6.272 1.491 -7.474 360 HD2 TYR 49 2HD TYR 49 6.055 -2.758 -7.408 361 HE1 TYR 49 1HE TYR 49 5.737 1.490 -9.873 362 HE2 TYR 49 2HE TYR 49 5.515 -2.770 -9.812 363 HH TYR 49 HH TYR 49 6.107 -0.782 -11.843 364 H LYS 50 H LYS 50 8.791 -2.480 -5.782 365 HA LYS 50 HA LYS 50 10.925 -1.684 -7.621 366 1HB LYS 50 2HB LYS 50 10.583 -3.752 -5.640 367 2HB LYS 50 1HB LYS 50 11.029 -4.458 -7.186 368 1HG LYS 50 2HG LYS 50 12.636 -2.135 -6.583 369 2HG LYS 50 1HG LYS 50 12.733 -3.353 -5.308 370 1HD LYS 50 2HD LYS 50 13.740 -4.880 -6.658 371 2HD LYS 50 1HD LYS 50 12.911 -4.305 -8.107 372 1HE LYS 50 2HE LYS 50 14.484 -2.733 -8.554 373 2HE LYS 50 1HE LYS 50 14.847 -2.455 -6.852 374 1HZ LYS 50 1HZ LYS 50 16.334 -3.915 -8.645 375 2HZ LYS 50 2HZ LYS 50 15.604 -5.078 -7.647 376 3HZ LYS 50 3HZ LYS 50 16.551 -3.848 -6.963 377 H LEU 51 H LEU 51 11.333 -2.976 -9.521 378 HA LEU 51 HA LEU 51 9.628 -2.917 -11.501 379 1HB LEU 51 2HB LEU 51 10.774 -5.396 -12.007 380 2HB LEU 51 1HB LEU 51 11.401 -3.823 -12.470 381 HG LEU 51 HG LEU 51 12.406 -3.907 -10.011 382 1HD1 LEU 51 1HD1 LEU 51 12.134 -6.807 -10.787 383 2HD1 LEU 51 2HD1 LEU 51 13.161 -6.196 -9.491 384 3HD1 LEU 51 3HD1 LEU 51 11.409 -6.016 -9.387 385 1HD2 LEU 51 1HD2 LEU 51 13.389 -4.109 -12.544 386 2HD2 LEU 51 2HD2 LEU 51 14.368 -4.044 -11.078 387 3HD2 LEU 51 3HD2 LEU 51 13.972 -5.602 -11.807 388 H GLY 52 H GLY 52 9.715 -5.790 -9.392 389 1HA GLY 52 1HA GLY 52 6.910 -6.263 -10.124 390 2HA GLY 52 2HA GLY 52 8.059 -7.586 -10.259 391 H ARG 53 H ARG 53 8.338 -5.212 -7.742 392 HA ARG 53 HA ARG 53 7.210 -7.097 -5.794 393 1HB ARG 53 2HB ARG 53 9.843 -5.674 -5.374 394 2HB ARG 53 1HB ARG 53 9.092 -6.853 -4.309 395 1HG ARG 53 2HG ARG 53 9.321 -8.235 -6.658 396 2HG ARG 53 1HG ARG 53 10.774 -7.236 -6.648 397 1HD ARG 53 2HD ARG 53 11.062 -8.041 -4.222 398 2HD ARG 53 1HD ARG 53 9.892 -9.292 -4.645 399 HE ARG 53 HE ARG 53 11.840 -9.323 -6.619 400 1HH1 ARG 53 2HH1 ARG 53 11.652 -9.896 -3.155 401 2HH1 ARG 53 1HH1 ARG 53 12.989 -11.016 -3.148 402 1HH2 ARG 53 2HH2 ARG 53 13.602 -10.757 -6.602 403 2HH2 ARG 53 1HH2 ARG 53 14.089 -11.513 -5.110 404 H LYS 54 H LYS 54 6.443 -6.135 -3.898 405 HA LYS 54 HA LYS 54 6.219 -3.198 -4.045 406 1HB LYS 54 2HB LYS 54 4.303 -3.875 -2.236 407 2HB LYS 54 1HB LYS 54 4.000 -3.644 -3.951 408 1HG LYS 54 2HG LYS 54 3.221 -5.704 -4.061 409 2HG LYS 54 1HG LYS 54 4.818 -6.317 -3.634 410 1HD LYS 54 2HD LYS 54 3.893 -5.570 -1.199 411 2HD LYS 54 1HD LYS 54 2.390 -6.048 -1.993 412 1HE LYS 54 2HE LYS 54 2.888 -8.170 -1.589 413 2HE LYS 54 1HE LYS 54 4.297 -8.013 -2.642 414 1HZ LYS 54 1HZ LYS 54 5.145 -6.901 -0.327 415 2HZ LYS 54 2HZ LYS 54 5.450 -8.499 -0.809 416 3HZ LYS 54 3HZ LYS 54 4.154 -8.158 0.231 417 H LEU 55 H LEU 55 7.737 -2.377 -2.789 418 HA LEU 55 HA LEU 55 7.925 -3.141 0.001 419 1HB LEU 55 2HB LEU 55 10.122 -3.914 -0.010 420 2HB LEU 55 1HB LEU 55 9.403 -4.695 -1.401 421 HG LEU 55 HG LEU 55 11.334 -2.373 -1.402 422 1HD1 LEU 55 1HD1 LEU 55 11.746 -4.862 -2.941 423 2HD1 LEU 55 2HD1 LEU 55 12.909 -3.839 -2.099 424 3HD1 LEU 55 3HD1 LEU 55 11.903 -4.963 -1.187 425 1HD2 LEU 55 1HD2 LEU 55 10.072 -1.760 -3.217 426 2HD2 LEU 55 2HD2 LEU 55 11.191 -2.894 -3.974 427 3HD2 LEU 55 3HD2 LEU 55 9.558 -3.412 -3.556 428 H CYS 56 H CYS 56 9.752 -1.731 1.069 429 HA CYS 56 HA CYS 56 9.246 0.979 0.212 430 1HB CYS 56 2HB CYS 56 10.394 1.713 2.185 431 2HB CYS 56 1HB CYS 56 9.322 0.396 2.632 432 H ARG 57 H ARG 57 11.405 2.369 0.683 433 HA ARG 57 HA ARG 57 13.124 1.625 -1.545 434 1HB ARG 57 2HB ARG 57 12.118 3.944 -1.220 435 2HB ARG 57 1HB ARG 57 13.268 4.149 0.098 436 1HG ARG 57 2HG ARG 57 14.602 4.994 -1.470 437 2HG ARG 57 1HG ARG 57 14.890 3.311 -1.915 438 1HD ARG 57 2HD ARG 57 13.830 3.542 -3.860 439 2HD ARG 57 1HD ARG 57 12.467 4.375 -3.109 440 HE ARG 57 HE ARG 57 13.910 6.413 -3.182 441 1HH1 ARG 57 2HH1 ARG 57 14.225 3.831 -5.533 442 2HH1 ARG 57 1HH1 ARG 57 15.107 4.814 -6.670 443 1HH2 ARG 57 2HH2 ARG 57 15.079 7.673 -4.650 444 2HH2 ARG 57 1HH2 ARG 57 15.632 6.998 -6.150 445 H ARG 58 H ARG 58 13.108 1.153 1.756 446 HA ARG 58 HA ARG 58 15.989 1.474 2.047 447 1HB ARG 58 2HB ARG 58 14.651 0.200 4.305 448 2HB ARG 58 1HB ARG 58 15.654 1.639 4.266 449 1HG ARG 58 2HG ARG 58 12.728 1.560 3.563 450 2HG ARG 58 1HG ARG 58 13.384 2.044 5.126 451 1HD ARG 58 2HD ARG 58 14.794 3.681 3.564 452 2HD ARG 58 1HD ARG 58 13.384 3.477 2.529 453 HE ARG 58 HE ARG 58 13.553 5.126 4.780 454 1HH1 ARG 58 2HH1 ARG 58 11.316 2.743 3.459 455 2HH1 ARG 58 1HH1 ARG 58 9.916 3.523 4.115 456 1HH2 ARG 58 2HH2 ARG 58 11.696 6.128 5.631 457 2HH2 ARG 58 1HH2 ARG 58 10.123 5.428 5.353 458 H ASP 59 H ASP 59 13.576 -1.101 2.367 459 HA ASP 59 HA ASP 59 15.637 -3.108 2.444 460 1HB ASP 59 2HB ASP 59 14.023 -4.621 2.983 461 2HB ASP 59 1HB ASP 59 13.237 -3.149 3.515 462 H TYR 60 H TYR 60 14.285 -1.296 0.053 463 HA TYR 60 HA TYR 60 14.560 -3.196 -2.109 464 1HB TYR 60 2HB TYR 60 13.240 -1.613 -3.026 465 2HB TYR 60 1HB TYR 60 13.679 -0.428 -1.805 466 HD1 TYR 60 1HD TYR 60 14.524 -1.797 -5.104 467 HD2 TYR 60 2HD TYR 60 15.385 1.224 -2.236 468 HE1 TYR 60 1HE TYR 60 15.840 -0.578 -6.789 469 HE2 TYR 60 2HE TYR 60 16.695 2.455 -3.911 470 HH TYR 60 HH TYR 60 18.007 1.357 -6.377 471 H LEU 61 H LEU 61 16.438 -0.585 -0.631 472 HA LEU 61 HA LEU 61 18.589 -0.769 -2.488 473 1HB LEU 61 2HB LEU 61 17.818 0.849 -0.240 474 2HB LEU 61 1HB LEU 61 19.508 0.396 -0.099 475 HG LEU 61 HG LEU 61 18.570 1.471 -2.709 476 1HD1 LEU 61 1HD1 LEU 61 18.633 3.719 -2.026 477 2HD1 LEU 61 2HD1 LEU 61 17.597 2.897 -0.859 478 3HD1 LEU 61 3HD1 LEU 61 19.261 3.300 -0.431 479 1HD2 LEU 61 1HD2 LEU 61 20.765 1.286 -3.017 480 2HD2 LEU 61 2HD2 LEU 61 20.946 2.654 -1.919 481 3HD2 LEU 61 3HD2 LEU 61 21.056 1.005 -1.300 482 H ARG 62 H ARG 62 18.157 -1.799 0.861 483 HA ARG 62 HA ARG 62 19.615 -4.201 0.469 484 1HB ARG 62 2HB ARG 62 21.260 -2.063 1.045 485 2HB ARG 62 1HB ARG 62 20.949 -2.739 2.636 486 1HG ARG 62 2HG ARG 62 22.545 -4.215 2.247 487 2HG ARG 62 1HG ARG 62 21.512 -4.931 1.007 488 1HD ARG 62 2HD ARG 62 22.611 -3.899 -0.703 489 2HD ARG 62 1HD ARG 62 23.082 -2.518 0.285 490 HE ARG 62 HE ARG 62 24.763 -4.016 1.314 491 1HH1 ARG 62 2HH1 ARG 62 23.437 -4.826 -1.824 492 2HH1 ARG 62 1HH1 ARG 62 24.853 -5.699 -2.340 493 1HH2 ARG 62 2HH2 ARG 62 26.602 -5.166 0.661 494 2HH2 ARG 62 1HH2 ARG 62 26.662 -5.894 -0.920 495 H LEU 63 H LEU 63 19.589 -2.309 3.425 496 HA LEU 63 HA LEU 63 17.133 -3.657 4.248 497 1HB LEU 63 2HB LEU 63 18.318 -3.270 6.669 498 2HB LEU 63 1HB LEU 63 18.239 -4.802 5.822 499 HG LEU 63 HG LEU 63 20.554 -3.105 5.141 500 1HD1 LEU 63 1HD1 LEU 63 21.414 -2.850 7.169 501 2HD1 LEU 63 2HD1 LEU 63 19.872 -3.384 7.844 502 3HD1 LEU 63 3HD1 LEU 63 21.157 -4.556 7.543 503 1HD2 LEU 63 1HD2 LEU 63 21.413 -5.603 5.872 504 2HD2 LEU 63 2HD2 LEU 63 19.785 -5.920 5.266 505 3HD2 LEU 63 3HD2 LEU 63 20.969 -5.110 4.238 506 H GLY 64 H GLY 64 19.410 -1.013 4.617 507 1HA GLY 64 1HA GLY 64 17.119 0.735 5.264 508 2HA GLY 64 2HA GLY 64 18.726 1.000 5.929 509 H GLY 65 H GLY 65 20.466 0.993 4.058 510 1HA GLY 65 1HA GLY 65 19.418 2.380 1.704 511 2HA GLY 65 2HA GLY 65 20.617 3.207 2.688 512 H SER 66 H SER 66 22.679 2.847 2.302 513 HA SER 66 HA SER 66 23.365 0.884 0.259 514 1HB SER 66 2HB SER 66 25.670 2.305 0.974 515 2HB SER 66 1HB SER 66 24.658 2.577 -0.445 516 HG SER 66 HG SER 66 24.350 3.790 2.115 517 H GLY 67 H GLY 67 23.530 1.404 3.607 518 1HA GLY 67 1HA GLY 67 24.859 0.513 5.317 519 2HA GLY 67 2HA GLY 67 24.030 -0.899 4.701 520 H GLY 68 H GLY 68 26.746 0.910 3.288 521 1HA GLY 68 1HA GLY 68 28.312 -1.592 3.439 522 2HA GLY 68 2HA GLY 68 28.430 -0.439 2.115 523 H HIS 69 H HIS 69 28.759 1.931 3.167 524 HA HIS 69 HA HIS 69 30.968 1.665 5.096 525 1HB HIS 69 2HB HIS 69 30.893 3.057 2.470 526 2HB HIS 69 1HB HIS 69 31.752 3.860 3.781 527 HD2 HIS 69 2HD HIS 69 33.160 1.197 5.083 528 HE1 HIS 69 1HE HIS 69 34.777 0.763 1.196 529 HE2 HIS 69 2HE HIS 69 35.025 0.123 3.638 530 H MET 70 H MET 70 29.848 4.675 3.684 531 HA MET 70 HA MET 70 28.853 5.454 6.350 532 1HB MET 70 2HB MET 70 29.412 7.492 4.243 533 2HB MET 70 1HB MET 70 29.567 7.617 5.988 534 1HG MET 70 2HG MET 70 31.565 6.121 5.827 535 2HG MET 70 1HG MET 70 31.446 6.264 4.074 536 1HE MET 70 1HE MET 70 32.250 9.339 7.212 537 2HE MET 70 2HE MET 70 32.076 7.590 7.347 538 3HE MET 70 3HE MET 70 33.645 8.293 6.954 539 H GLY 71 H GLY 71 28.135 5.396 2.927 540 1HA GLY 71 1HA GLY 71 25.903 5.234 2.068 541 2HA GLY 71 2HA GLY 71 25.322 6.007 3.539 542 H SER 72 H SER 72 25.857 6.497 0.345 543 HA SER 72 HA SER 72 26.848 9.185 0.584 544 1HB SER 72 2HB SER 72 26.217 8.525 -2.109 545 2HB SER 72 1HB SER 72 27.804 8.720 -1.365 546 HG SER 72 HG SER 72 27.162 6.570 -2.331 547 H GLY 73 H GLY 73 23.904 8.069 1.037 548 1HA GLY 73 1HA GLY 73 22.594 10.286 -0.413 549 2HA GLY 73 2HA GLY 73 21.761 8.881 0.245 550 H GLY 74 H GLY 74 22.638 8.653 2.735 551 1HA GLY 74 1HA GLY 74 23.014 9.870 4.764 552 2HA GLY 74 2HA GLY 74 22.313 11.292 4.006 553 H ASP 75 H ASP 75 21.463 10.584 6.482 554 HA ASP 75 HA ASP 75 19.188 8.870 6.433 555 1HB ASP 75 2HB ASP 75 19.901 9.017 8.590 556 2HB ASP 75 1HB ASP 75 20.509 10.654 8.387 557 H VAL 76 H VAL 76 17.295 9.272 5.570 558 HA VAL 76 HA VAL 76 16.662 12.013 4.796 559 HB VAL 76 HB VAL 76 14.738 10.038 3.890 560 1HG1 VAL 76 1HG1 VAL 76 15.859 12.435 3.039 561 2HG1 VAL 76 2HG1 VAL 76 16.412 11.241 1.865 562 3HG1 VAL 76 3HG1 VAL 76 14.687 11.445 2.168 563 1HG2 VAL 76 1HG2 VAL 76 17.638 9.438 3.542 564 2HG2 VAL 76 2HG2 VAL 76 16.280 8.338 3.779 565 3HG2 VAL 76 3HG2 VAL 76 16.530 9.107 2.211 566 H MET 77 H MET 77 15.310 13.195 5.908 567 HA MET 77 HA MET 77 13.715 12.035 8.016 568 1HB MET 77 2HB MET 77 13.441 14.905 7.280 569 2HB MET 77 1HB MET 77 13.527 14.158 8.868 570 1HG MET 77 2HG MET 77 15.798 14.172 8.909 571 2HG MET 77 1HG MET 77 15.944 14.089 7.160 572 1HE MET 77 1HE MET 77 13.913 16.289 9.527 573 2HE MET 77 2HE MET 77 15.473 16.667 10.262 574 3HE MET 77 3HE MET 77 14.604 17.905 9.353 575 H VAL 78 H VAL 78 11.406 12.514 8.256 576 HA VAL 78 HA VAL 78 9.980 12.157 5.758 577 HB VAL 78 HB VAL 78 8.712 12.520 8.472 578 1HG1 VAL 78 1HG1 VAL 78 7.401 10.585 6.905 579 2HG1 VAL 78 2HG1 VAL 78 6.837 12.204 7.322 580 3HG1 VAL 78 3HG1 VAL 78 7.749 11.943 5.834 581 1HG2 VAL 78 1HG2 VAL 78 10.403 10.797 8.715 582 2HG2 VAL 78 2HG2 VAL 78 8.794 10.072 8.722 583 3HG2 VAL 78 3HG2 VAL 78 9.802 9.972 7.278 584 H VAL 79 H VAL 79 10.898 14.335 5.135 585 HA VAL 79 HA VAL 79 8.995 16.469 5.848 586 HB VAL 79 HB VAL 79 11.222 16.648 7.045 587 1HG1 VAL 79 1HG1 VAL 79 13.050 16.259 5.850 588 2HG1 VAL 79 2HG1 VAL 79 12.181 16.434 4.325 589 3HG1 VAL 79 3HG1 VAL 79 12.821 17.860 5.145 590 1HG2 VAL 79 1HG2 VAL 79 11.556 19.113 6.221 591 2HG2 VAL 79 2HG2 VAL 79 10.078 18.785 5.317 592 3HG2 VAL 79 3HG2 VAL 79 10.085 18.638 7.074 593 H GLY 80 H GLY 80 9.798 14.521 3.508 594 1HA GLY 80 1HA GLY 80 8.991 14.955 1.251 595 2HA GLY 80 2HA GLY 80 9.645 16.583 1.401 596 H GLU 81 H GLU 81 10.520 13.181 1.289 597 HA GLU 81 HA GLU 81 13.269 13.432 1.246 598 1HB GLU 81 2HB GLU 81 11.503 11.344 -0.036 599 2HB GLU 81 1HB GLU 81 13.241 11.175 0.172 600 1HG GLU 81 2HG GLU 81 12.612 10.099 2.044 601 2HG GLU 81 1HG GLU 81 12.572 11.737 2.693 602 HA PRO 82 HA PRO 82 13.854 15.127 -2.836 603 1HB PRO 82 2HB PRO 82 16.435 15.764 -2.564 604 2HB PRO 82 1HB PRO 82 15.176 16.646 -1.694 605 1HG PRO 82 2HG PRO 82 17.047 14.546 -0.703 606 2HG PRO 82 1HG PRO 82 16.462 16.003 0.114 607 1HD PRO 82 2HD PRO 82 15.460 13.433 0.488 608 2HD PRO 82 1HD PRO 82 14.622 14.937 0.919 609 H THR 83 H THR 83 15.836 14.899 -4.460 610 HA THR 83 HA THR 83 16.187 12.029 -4.881 611 HB THR 83 HB THR 83 15.379 13.148 -6.829 612 HG1 THR 83 1HG THR 83 17.270 11.625 -6.987 613 1HG2 THR 83 1HG2 THR 83 16.453 15.041 -7.876 614 2HG2 THR 83 2HG2 THR 83 17.738 15.025 -6.667 615 3HG2 THR 83 3HG2 THR 83 16.090 15.438 -6.196 616 H LEU 84 H LEU 84 17.966 11.079 -4.237 617 HA LEU 84 HA LEU 84 20.442 12.656 -4.035 618 1HB LEU 84 2HB LEU 84 19.646 10.321 -2.291 619 2HB LEU 84 1HB LEU 84 21.101 11.289 -2.135 620 HG LEU 84 HG LEU 84 18.684 12.906 -1.999 621 1HD1 LEU 84 1HD1 LEU 84 19.088 10.836 0.151 622 2HD1 LEU 84 2HD1 LEU 84 17.903 12.142 0.153 623 3HD1 LEU 84 3HD1 LEU 84 17.776 10.840 -1.032 624 1HD2 LEU 84 1HD2 LEU 84 20.679 13.907 -1.323 625 2HD2 LEU 84 2HD2 LEU 84 19.849 13.539 0.190 626 3HD2 LEU 84 3HD2 LEU 84 21.165 12.507 -0.367 627 H MET 85 H MET 85 22.041 11.951 -5.300 628 HA MET 85 HA MET 85 21.657 9.394 -6.665 629 1HB MET 85 2HB MET 85 22.325 11.811 -7.664 630 2HB MET 85 1HB MET 85 23.927 11.129 -7.421 631 1HG MET 85 2HG MET 85 22.633 9.062 -8.622 632 2HG MET 85 1HG MET 85 21.867 10.455 -9.384 633 1HE MET 85 1HE MET 85 24.261 11.611 -11.929 634 2HE MET 85 2HE MET 85 22.695 10.823 -11.732 635 3HE MET 85 3HE MET 85 23.093 12.251 -10.771 636 H GLY 86 H GLY 86 22.680 9.723 -3.876 637 1HA GLY 86 1HA GLY 86 25.362 8.567 -4.168 638 2HA GLY 86 2HA GLY 86 24.666 9.176 -2.672 639 H GLY 87 H GLY 87 24.501 7.512 -1.288 640 1HA GLY 87 1HA GLY 87 23.912 4.853 -2.306 641 2HA GLY 87 2HA GLY 87 24.245 5.280 -0.628 642 H GLU 88 H GLU 88 22.449 6.533 0.477 643 HA GLU 88 HA GLU 88 19.962 5.174 -0.016 644 1HB GLU 88 2HB GLU 88 20.398 7.347 2.007 645 2HB GLU 88 1HB GLU 88 19.294 5.977 2.082 646 1HG GLU 88 2HG GLU 88 20.834 5.017 3.352 647 2HG GLU 88 1HG GLU 88 21.726 4.753 1.865 648 H PHE 89 H PHE 89 19.021 5.963 -1.865 649 HA PHE 89 HA PHE 89 18.842 8.778 -2.386 650 1HB PHE 89 2HB PHE 89 16.953 7.110 -3.874 651 2HB PHE 89 1HB PHE 89 18.195 8.205 -4.468 652 HD1 PHE 89 1HD PHE 89 20.662 7.278 -4.198 653 HD2 PHE 89 2HD PHE 89 17.145 4.893 -4.340 654 HE1 PHE 89 1HE PHE 89 22.009 5.345 -4.921 655 HE2 PHE 89 2HE PHE 89 18.479 2.960 -5.071 656 HZ PHE 89 HZ PHE 89 20.911 3.184 -5.368 657 H GLY 90 H GLY 90 16.641 9.766 -2.866 658 1HA GLY 90 1HA GLY 90 14.944 9.253 -0.543 659 2HA GLY 90 2HA GLY 90 14.949 10.712 -1.522 660 H ASP 91 H ASP 91 13.436 10.943 -3.051 661 HA ASP 91 HA ASP 91 11.496 8.817 -3.251 662 1HB ASP 91 2HB ASP 91 10.049 10.471 -4.308 663 2HB ASP 91 1HB ASP 91 10.729 11.082 -2.816 664 H GLU 92 H GLU 92 12.374 10.961 -5.893 665 HA GLU 92 HA GLU 92 12.981 10.663 -8.036 666 1HB GLU 92 2HB GLU 92 14.221 8.333 -6.716 667 2HB GLU 92 1HB GLU 92 14.042 8.229 -8.464 668 1HG GLU 92 2HG GLU 92 15.599 9.801 -8.854 669 2HG GLU 92 1HG GLU 92 15.117 10.769 -7.462 670 H ASP 93 H ASP 93 11.422 7.789 -6.729 671 HA ASP 93 HA ASP 93 9.668 7.726 -9.091 672 1HB ASP 93 2HB ASP 93 11.545 6.018 -9.242 673 2HB ASP 93 1HB ASP 93 10.831 5.233 -7.838 674 H GLU 94 H GLU 94 9.204 8.815 -6.513 675 HA GLU 94 HA GLU 94 7.690 6.930 -4.966 676 1HB GLU 94 2HB GLU 94 7.211 8.758 -3.497 677 2HB GLU 94 1HB GLU 94 8.897 8.881 -3.974 678 1HG GLU 94 2HG GLU 94 8.546 10.962 -4.632 679 2HG GLU 94 1HG GLU 94 7.393 10.382 -5.834 680 H ARG 95 H ARG 95 5.411 7.286 -4.446 681 HA ARG 95 HA ARG 95 3.756 8.687 -6.338 682 1HB ARG 95 2HB ARG 95 4.548 6.267 -7.166 683 2HB ARG 95 1HB ARG 95 3.208 5.771 -6.148 684 1HG ARG 95 2HG ARG 95 1.932 7.623 -7.540 685 2HG ARG 95 1HG ARG 95 3.201 7.258 -8.714 686 1HD ARG 95 2HD ARG 95 1.036 5.907 -8.877 687 2HD ARG 95 1HD ARG 95 2.553 5.006 -8.883 688 HE ARG 95 HE ARG 95 0.652 5.197 -6.647 689 1HH1 ARG 95 2HH1 ARG 95 3.357 3.607 -8.225 690 2HH1 ARG 95 1HH1 ARG 95 3.607 2.475 -6.931 691 1HH2 ARG 95 2HH2 ARG 95 0.975 3.705 -4.953 692 2HH2 ARG 95 1HH2 ARG 95 2.229 2.509 -5.081 693 H LEU 96 H LEU 96 1.310 7.658 -5.774 694 HA LEU 96 HA LEU 96 1.172 7.953 -2.853 695 1HB LEU 96 2HB LEU 96 -1.086 8.360 -4.794 696 2HB LEU 96 1HB LEU 96 -0.993 8.890 -3.127 697 HG LEU 96 HG LEU 96 1.043 9.975 -4.995 698 1HD1 LEU 96 1HD1 LEU 96 -1.748 10.107 -5.577 699 2HD1 LEU 96 2HD1 LEU 96 -1.176 11.711 -5.120 700 3HD1 LEU 96 3HD1 LEU 96 -0.397 10.839 -6.441 701 1HD2 LEU 96 1HD2 LEU 96 1.359 11.285 -3.236 702 2HD2 LEU 96 2HD2 LEU 96 -0.278 11.917 -3.419 703 3HD2 LEU 96 3HD2 LEU 96 0.014 10.510 -2.397 704 H ILE 97 H ILE 97 -1.298 7.127 -2.282 705 HA ILE 97 HA ILE 97 -1.847 4.533 -3.411 706 HB ILE 97 HB ILE 97 -2.049 4.103 -0.614 707 1HG1 ILE 97 2HG1 ILE 97 0.724 3.998 -0.636 708 2HG1 ILE 97 1HG1 ILE 97 0.362 5.560 -1.361 709 1HG2 ILE 97 1HG2 ILE 97 -1.958 2.308 -2.141 710 2HG2 ILE 97 2HG2 ILE 97 -0.418 2.856 -2.808 711 3HG2 ILE 97 3HG2 ILE 97 -0.488 2.209 -1.168 712 1HD1 ILE 97 1HD1 ILE 97 0.691 5.492 1.149 713 2HD1 ILE 97 2HD1 ILE 97 -0.754 6.310 0.557 714 3HD1 ILE 97 3HD1 ILE 97 -0.873 4.682 1.226 715 H THR 98 H THR 98 -4.010 4.035 -3.202 716 HA THR 98 HA THR 98 -5.579 5.981 -1.680 717 HB THR 98 HB THR 98 -5.718 5.132 -4.466 718 HG1 THR 98 1HG THR 98 -7.263 7.152 -3.204 719 1HG2 THR 98 1HG2 THR 98 -8.146 5.033 -4.641 720 2HG2 THR 98 2HG2 THR 98 -8.277 5.087 -2.882 721 3HG2 THR 98 3HG2 THR 98 -7.508 3.708 -3.667 722 H ARG 99 H ARG 99 -6.834 5.177 -0.148 723 HA ARG 99 HA ARG 99 -7.134 2.263 0.011 724 1HB ARG 99 2HB ARG 99 -7.043 4.460 2.002 725 2HB ARG 99 1HB ARG 99 -8.157 3.143 2.352 726 1HG ARG 99 2HG ARG 99 -6.260 1.558 2.003 727 2HG ARG 99 1HG ARG 99 -5.192 2.957 1.900 728 1HD ARG 99 2HD ARG 99 -4.979 2.384 4.102 729 2HD ARG 99 1HD ARG 99 -6.269 3.587 4.191 730 HE ARG 99 HE ARG 99 -6.761 0.668 4.178 731 1HH1 ARG 99 2HH1 ARG 99 -7.388 3.884 5.444 732 2HH1 ARG 99 1HH1 ARG 99 -8.689 3.353 6.469 733 1HH2 ARG 99 2HH2 ARG 99 -8.396 -0.033 5.545 734 2HH2 ARG 99 1HH2 ARG 99 -9.252 1.107 6.553 735 H LEU 100 H LEU 100 -8.790 1.711 -1.193 736 HA LEU 100 HA LEU 100 -11.161 3.421 -1.255 737 1HB LEU 100 2HB LEU 100 -9.771 2.412 -3.275 738 2HB LEU 100 1HB LEU 100 -10.851 1.050 -3.024 739 HG LEU 100 HG LEU 100 -12.578 3.204 -3.095 740 1HD1 LEU 100 1HD1 LEU 100 -10.973 3.681 -5.516 741 2HD1 LEU 100 2HD1 LEU 100 -11.896 4.807 -4.522 742 3HD1 LEU 100 3HD1 LEU 100 -10.286 4.299 -4.014 743 1HD2 LEU 100 1HD2 LEU 100 -11.764 1.008 -4.880 744 2HD2 LEU 100 2HD2 LEU 100 -13.364 1.467 -4.294 745 3HD2 LEU 100 3HD2 LEU 100 -12.639 2.331 -5.650 746 H GLU 101 H GLU 101 -13.202 2.122 -1.760 747 HA GLU 101 HA GLU 101 -13.494 0.016 0.277 748 1HB GLU 101 2HB GLU 101 -15.871 1.222 -1.056 749 2HB GLU 101 1HB GLU 101 -15.690 0.626 0.588 750 1HG GLU 101 2HG GLU 101 -13.998 2.818 0.455 751 2HG GLU 101 1HG GLU 101 -15.437 3.305 -0.444 752 H ASN 102 H ASN 102 -14.286 -1.966 -0.302 753 HA ASN 102 HA ASN 102 -14.353 -2.580 -3.150 754 1HB ASN 102 2HB ASN 102 -13.270 -4.248 -1.791 755 2HB ASN 102 1HB ASN 102 -14.640 -4.312 -0.683 756 1HD2 ASN 102 1HD2 ASN 102 -15.503 -6.243 -0.873 757 2HD2 ASN 102 2HD2 ASN 102 -15.922 -7.026 -2.365 758 H THR 103 H THR 103 -16.453 -2.185 -0.392 759 HA THR 103 HA THR 103 -18.774 -2.445 -2.178 760 HB THR 103 HB THR 103 -19.792 -2.525 0.380 761 HG1 THR 103 1HG THR 103 -17.949 -4.523 0.657 762 1HG2 THR 103 1HG2 THR 103 -20.804 -4.122 -0.771 763 2HG2 THR 103 2HG2 THR 103 -19.472 -5.174 -0.297 764 3HG2 THR 103 3HG2 THR 103 -19.422 -4.333 -1.844 765 H GLN 104 H GLN 104 -19.260 -1.195 0.951 766 HA GLN 104 HA GLN 104 -18.600 1.505 0.559 767 1HB GLN 104 2HB GLN 104 -21.144 2.230 0.721 768 2HB GLN 104 1HB GLN 104 -20.362 1.995 -0.835 769 1HG GLN 104 2HG GLN 104 -21.368 -0.151 -1.098 770 2HG GLN 104 1HG GLN 104 -21.992 -0.118 0.550 771 1HE2 GLN 104 1HE2 GLN 104 -22.013 2.125 -2.209 772 2HE2 GLN 104 2HE2 GLN 104 -23.733 2.396 -2.183 773 H PHE 105 H PHE 105 -17.758 1.306 2.568 774 HA PHE 105 HA PHE 105 -19.657 0.798 4.776 775 1HB PHE 105 2HB PHE 105 -18.091 -1.102 4.230 776 2HB PHE 105 1HB PHE 105 -16.753 -0.050 4.658 777 HD1 PHE 105 1HD PHE 105 -18.194 -2.771 5.787 778 HD2 PHE 105 2HD PHE 105 -17.646 1.241 7.107 779 HE1 PHE 105 1HE PHE 105 -18.343 -3.524 8.124 780 HE2 PHE 105 2HE PHE 105 -17.796 0.490 9.445 781 HZ PHE 105 HZ PHE 105 -18.148 -1.893 9.956 782 H ASP 106 H ASP 106 -16.397 2.028 4.113 783 HA ASP 106 HA ASP 106 -16.104 3.411 6.526 784 1HB ASP 106 2HB ASP 106 -14.430 2.815 4.504 785 2HB ASP 106 1HB ASP 106 -14.710 4.518 4.160 786 H ALA 107 H ALA 107 -16.416 4.969 3.342 787 HA ALA 107 HA ALA 107 -18.269 6.874 4.581 788 1HB ALA 107 1HB ALA 107 -16.796 8.522 4.609 789 2HB ALA 107 2HB ALA 107 -15.567 7.463 3.918 790 3HB ALA 107 3HB ALA 107 -16.628 8.390 2.860 791 H ALA 108 H ALA 108 -17.540 4.883 1.981 792 HA ALA 108 HA ALA 108 -18.623 6.387 -0.164 793 1HB ALA 108 1HB ALA 108 -19.078 3.681 -0.730 794 2HB ALA 108 2HB ALA 108 -17.720 4.677 -1.250 795 3HB ALA 108 3HB ALA 108 -17.602 3.734 0.235 796 H ASN 109 H ASN 109 -20.115 5.059 2.529 797 HA ASN 109 HA ASN 109 -22.737 5.141 1.187 798 1HB ASN 109 2HB ASN 109 -21.805 2.928 2.366 799 2HB ASN 109 1HB ASN 109 -22.442 3.732 3.797 800 1HD2 ASN 109 1HD2 ASN 109 -23.678 1.591 3.538 801 2HD2 ASN 109 2HD2 ASN 109 -25.206 1.707 2.708 802 H GLY 110 H GLY 110 -21.216 7.354 2.250 803 1HA GLY 110 1HA GLY 110 -23.252 8.523 3.900 804 2HA GLY 110 2HA GLY 110 -21.776 8.191 4.791 805 H ILE 111 H ILE 111 -19.745 9.003 3.641 806 HA ILE 111 HA ILE 111 -20.244 11.777 2.831 807 HB ILE 111 HB ILE 111 -17.498 10.743 3.386 808 1HG1 ILE 111 2HG1 ILE 111 -18.967 9.916 5.246 809 2HG1 ILE 111 1HG1 ILE 111 -17.714 11.038 5.765 810 1HG2 ILE 111 1HG2 ILE 111 -18.352 13.316 4.477 811 2HG2 ILE 111 2HG2 ILE 111 -16.942 12.904 3.502 812 3HG2 ILE 111 3HG2 ILE 111 -18.498 13.192 2.725 813 1HD1 ILE 111 1HD1 ILE 111 -20.647 11.333 5.766 814 2HD1 ILE 111 2HD1 ILE 111 -19.440 11.924 6.907 815 3HD1 ILE 111 3HD1 ILE 111 -19.704 12.773 5.384 816 H ASP 112 H ASP 112 -17.220 10.369 2.073 817 HA ASP 112 HA ASP 112 -17.918 9.568 -0.602 818 1HB ASP 112 2HB ASP 112 -17.661 12.020 -0.868 819 2HB ASP 112 1HB ASP 112 -16.042 11.914 -0.189 820 H ASP 113 H ASP 113 -16.604 7.971 -1.226 821 HA ASP 113 HA ASP 113 -14.860 6.771 0.565 822 1HB ASP 113 2HB ASP 113 -15.223 5.123 -0.901 823 2HB ASP 113 1HB ASP 113 -15.842 6.269 -2.081 824 H GLU 114 H GLU 114 -12.926 7.286 1.242 825 HA GLU 114 HA GLU 114 -10.824 8.274 -0.451 826 1HB GLU 114 2HB GLU 114 -12.474 10.222 0.297 827 2HB GLU 114 1HB GLU 114 -11.539 10.116 1.781 828 1HG GLU 114 2HG GLU 114 -9.760 10.148 -0.450 829 2HG GLU 114 1HG GLU 114 -10.899 11.482 -0.594 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -21.054 -11.188 -7.509 2 2H GLY 1 2H GLY 1 -21.067 -9.501 -7.715 3 3H GLY 1 3H GLY 1 -19.992 -10.214 -6.616 4 1HA GLY 1 2HA GLY 1 -19.304 -11.498 -8.844 5 2HA GLY 1 1HA GLY 1 -19.802 -9.943 -9.493 6 H SER 2 H SER 2 -17.137 -11.170 -9.353 7 HA SER 2 HA SER 2 -15.670 -9.690 -7.362 8 1HB SER 2 2HB SER 2 -14.253 -10.846 -9.700 9 2HB SER 2 1HB SER 2 -13.873 -10.953 -7.981 10 HG SER 2 HG SER 2 -15.734 -12.407 -7.837 11 H LEU 3 H LEU 3 -14.972 -7.657 -7.540 12 HA LEU 3 HA LEU 3 -15.025 -6.415 -10.198 13 1HB LEU 3 2HB LEU 3 -14.699 -4.888 -7.640 14 2HB LEU 3 1HB LEU 3 -15.325 -4.331 -9.179 15 HG LEU 3 HG LEU 3 -16.769 -6.274 -7.375 16 1HD1 LEU 3 1HD1 LEU 3 -17.312 -4.539 -6.106 17 2HD1 LEU 3 2HD1 LEU 3 -16.464 -3.423 -7.178 18 3HD1 LEU 3 3HD1 LEU 3 -18.147 -3.845 -7.495 19 1HD2 LEU 3 1HD2 LEU 3 -17.937 -6.636 -9.247 20 2HD2 LEU 3 2HD2 LEU 3 -18.604 -5.025 -8.984 21 3HD2 LEU 3 3HD2 LEU 3 -17.230 -5.244 -10.066 22 H LEU 4 H LEU 4 -13.107 -6.018 -7.234 23 HA LEU 4 HA LEU 4 -10.720 -5.667 -8.919 24 1HB LEU 4 2HB LEU 4 -10.851 -5.110 -5.972 25 2HB LEU 4 1HB LEU 4 -9.721 -4.477 -7.157 26 HG LEU 4 HG LEU 4 -12.486 -3.711 -7.703 27 1HD1 LEU 4 1HD1 LEU 4 -11.881 -1.926 -5.686 28 2HD1 LEU 4 2HD1 LEU 4 -13.100 -3.201 -5.621 29 3HD1 LEU 4 3HD1 LEU 4 -11.480 -3.496 -4.987 30 1HD2 LEU 4 1HD2 LEU 4 -10.001 -2.864 -8.393 31 2HD2 LEU 4 2HD2 LEU 4 -11.469 -1.898 -8.552 32 3HD2 LEU 4 3HD2 LEU 4 -10.429 -1.696 -7.142 33 H THR 5 H THR 5 -8.735 -6.655 -8.194 34 HA THR 5 HA THR 5 -9.062 -8.991 -6.465 35 HB THR 5 HB THR 5 -7.206 -9.705 -8.472 36 HG1 THR 5 1HG THR 5 -8.047 -8.477 -10.064 37 1HG2 THR 5 1HG2 THR 5 -8.299 -11.630 -8.201 38 2HG2 THR 5 2HG2 THR 5 -9.808 -10.916 -8.773 39 3HG2 THR 5 3HG2 THR 5 -9.355 -10.779 -7.076 40 H CYS 6 H CYS 6 -7.396 -9.326 -5.113 41 HA CYS 6 HA CYS 6 -5.366 -7.284 -4.987 42 1HB CYS 6 2HB CYS 6 -6.014 -7.596 -2.846 43 2HB CYS 6 1HB CYS 6 -6.573 -9.236 -3.147 44 H GLY 7 H GLY 7 -3.248 -7.518 -5.339 45 1HA GLY 7 1HA GLY 7 -2.432 -9.551 -7.108 46 2HA GLY 7 2HA GLY 7 -1.380 -8.350 -6.372 47 H GLY 8 H GLY 8 -2.531 -9.560 -3.702 48 1HA GLY 8 1HA GLY 8 -0.413 -11.585 -3.529 49 2HA GLY 8 2HA GLY 8 -1.191 -10.789 -2.169 50 H CYS 9 H CYS 9 -3.877 -11.199 -3.208 51 HA CYS 9 HA CYS 9 -4.157 -13.935 -2.253 52 1HB CYS 9 2HB CYS 9 -6.120 -11.680 -2.634 53 2HB CYS 9 1HB CYS 9 -6.600 -13.300 -2.137 54 H GLN 10 H GLN 10 -5.429 -11.948 -4.895 55 HA GLN 10 HA GLN 10 -6.285 -12.448 -6.938 56 1HB GLN 10 2HB GLN 10 -4.278 -14.299 -6.718 57 2HB GLN 10 1HB GLN 10 -5.684 -15.327 -6.953 58 1HG GLN 10 2HG GLN 10 -4.313 -14.472 -8.994 59 2HG GLN 10 1HG GLN 10 -6.073 -14.559 -9.070 60 1HE2 GLN 10 1HE2 GLN 10 -3.404 -12.358 -8.344 61 2HE2 GLN 10 2HE2 GLN 10 -4.207 -10.926 -8.916 62 H GLN 11 H GLN 11 -7.436 -13.231 -4.156 63 HA GLN 11 HA GLN 11 -9.551 -15.050 -5.014 64 1HB GLN 11 2HB GLN 11 -10.038 -15.361 -2.700 65 2HB GLN 11 1HB GLN 11 -8.291 -15.415 -2.862 66 1HG GLN 11 2HG GLN 11 -8.148 -13.105 -2.076 67 2HG GLN 11 1HG GLN 11 -9.904 -13.057 -1.910 68 1HE2 GLN 11 1HE2 GLN 11 -7.257 -13.189 -0.155 69 2HE2 GLN 11 2HE2 GLN 11 -7.784 -14.173 1.173 70 H ASN 12 H ASN 12 -9.115 -11.992 -5.455 71 HA ASN 12 HA ASN 12 -10.440 -10.220 -5.925 72 1HB ASN 12 2HB ASN 12 -12.197 -11.300 -6.904 73 2HB ASN 12 1HB ASN 12 -12.465 -12.352 -5.519 74 1HD2 ASN 12 1HD2 ASN 12 -12.824 -8.985 -6.582 75 2HD2 ASN 12 2HD2 ASN 12 -14.280 -8.683 -5.676 76 H ILE 13 H ILE 13 -10.861 -8.418 -4.860 77 HA ILE 13 HA ILE 13 -10.801 -8.495 -1.966 78 HB ILE 13 HB ILE 13 -10.949 -6.096 -3.772 79 1HG1 ILE 13 2HG1 ILE 13 -8.399 -7.028 -2.548 80 2HG1 ILE 13 1HG1 ILE 13 -8.984 -7.857 -3.982 81 1HG2 ILE 13 1HG2 ILE 13 -9.614 -6.055 -1.128 82 2HG2 ILE 13 2HG2 ILE 13 -10.507 -4.787 -1.970 83 3HG2 ILE 13 3HG2 ILE 13 -11.378 -6.086 -1.158 84 1HD1 ILE 13 1HD1 ILE 13 -8.771 -5.964 -5.311 85 2HD1 ILE 13 2HD1 ILE 13 -8.702 -4.881 -3.916 86 3HD1 ILE 13 3HD1 ILE 13 -7.337 -5.939 -4.281 87 H GLY 14 H GLY 14 -12.751 -9.125 -1.183 88 1HA GLY 14 1HA GLY 14 -15.163 -7.789 -2.219 89 2HA GLY 14 2HA GLY 14 -15.131 -9.293 -1.303 90 H ASP 15 H ASP 15 -13.026 -7.061 0.008 91 HA ASP 15 HA ASP 15 -14.640 -6.758 2.352 92 1HB ASP 15 2HB ASP 15 -11.913 -5.724 1.579 93 2HB ASP 15 1HB ASP 15 -12.690 -5.259 3.090 94 H ARG 16 H ARG 16 -14.374 -4.369 3.360 95 HA ARG 16 HA ARG 16 -16.028 -2.737 1.614 96 1HB ARG 16 2HB ARG 16 -15.863 -1.280 3.889 97 2HB ARG 16 1HB ARG 16 -17.057 -2.540 3.614 98 1HG ARG 16 2HG ARG 16 -16.299 -3.660 5.357 99 2HG ARG 16 1HG ARG 16 -14.696 -3.754 4.628 100 1HD ARG 16 2HD ARG 16 -14.183 -1.520 5.556 101 2HD ARG 16 1HD ARG 16 -15.758 -1.515 6.350 102 HE ARG 16 HE ARG 16 -14.787 -3.743 7.350 103 1HH1 ARG 16 2HH1 ARG 16 -13.158 -0.660 6.888 104 2HH1 ARG 16 1HH1 ARG 16 -11.989 -0.957 8.141 105 1HH2 ARG 16 2HH2 ARG 16 -13.277 -4.103 9.019 106 2HH2 ARG 16 1HH2 ARG 16 -12.074 -2.896 9.377 107 H TYR 17 H TYR 17 -12.787 -2.765 2.900 108 HA TYR 17 HA TYR 17 -12.238 -0.281 1.431 109 1HB TYR 17 2HB TYR 17 -12.499 -0.330 4.184 110 2HB TYR 17 1HB TYR 17 -10.763 -0.521 3.960 111 HD1 TYR 17 1HD TYR 17 -13.531 1.544 2.551 112 HD2 TYR 17 2HD TYR 17 -9.522 1.445 3.977 113 HE1 TYR 17 1HE TYR 17 -13.355 3.963 2.187 114 HE2 TYR 17 2HE TYR 17 -9.340 3.875 3.613 115 HH TYR 17 HH TYR 17 -11.933 5.706 2.045 116 H PHE 18 H PHE 18 -10.075 -0.156 0.630 117 HA PHE 18 HA PHE 18 -8.232 -2.306 1.229 118 1HB PHE 18 2HB PHE 18 -8.203 -3.390 -0.842 119 2HB PHE 18 1HB PHE 18 -9.913 -3.164 -0.514 120 HD1 PHE 18 1HD PHE 18 -7.647 -3.174 -3.024 121 HD2 PHE 18 2HD PHE 18 -10.687 -0.647 -1.447 122 HE1 PHE 18 1HE PHE 18 -7.905 -2.114 -5.225 123 HE2 PHE 18 2HE PHE 18 -10.949 0.412 -3.648 124 HZ PHE 18 HZ PHE 18 -9.556 -0.319 -5.541 125 H LEU 19 H LEU 19 -6.423 -2.167 -0.682 126 HA LEU 19 HA LEU 19 -5.709 0.665 -1.000 127 1HB LEU 19 2HB LEU 19 -4.194 -1.566 0.284 128 2HB LEU 19 1HB LEU 19 -3.305 -0.352 -0.606 129 HG LEU 19 HG LEU 19 -5.233 0.524 1.495 130 1HD1 LEU 19 1HD1 LEU 19 -2.570 -0.774 1.938 131 2HD1 LEU 19 2HD1 LEU 19 -3.177 0.455 3.048 132 3HD1 LEU 19 3HD1 LEU 19 -4.090 -1.032 2.795 133 1HD2 LEU 19 1HD2 LEU 19 -2.600 1.762 1.240 134 2HD2 LEU 19 2HD2 LEU 19 -3.582 1.850 -0.223 135 3HD2 LEU 19 3HD2 LEU 19 -4.202 2.498 1.296 136 H LYS 20 H LYS 20 -4.556 1.131 -2.888 137 HA LYS 20 HA LYS 20 -3.449 -0.953 -4.509 138 1HB LYS 20 2HB LYS 20 -5.142 -1.361 -5.926 139 2HB LYS 20 1HB LYS 20 -6.182 -0.374 -4.914 140 1HG LYS 20 2HG LYS 20 -4.526 1.107 -6.841 141 2HG LYS 20 1HG LYS 20 -5.754 0.063 -7.537 142 1HD LYS 20 2HD LYS 20 -6.628 1.740 -5.273 143 2HD LYS 20 1HD LYS 20 -6.226 2.595 -6.763 144 1HE LYS 20 2HE LYS 20 -7.939 0.177 -6.964 145 2HE LYS 20 1HE LYS 20 -8.656 1.638 -6.288 146 1HZ LYS 20 1HZ LYS 20 -8.893 1.318 -8.756 147 2HZ LYS 20 2HZ LYS 20 -7.227 1.630 -8.885 148 3HZ LYS 20 3HZ LYS 20 -8.269 2.818 -8.262 149 H ALA 21 H ALA 21 -2.093 -0.067 -6.228 150 HA ALA 21 HA ALA 21 -2.072 2.597 -7.051 151 1HB ALA 21 1HB ALA 21 -1.575 3.213 -4.757 152 2HB ALA 21 2HB ALA 21 -0.178 2.138 -4.750 153 3HB ALA 21 3HB ALA 21 -0.193 3.558 -5.795 154 H ILE 22 H ILE 22 0.280 0.196 -5.941 155 HA ILE 22 HA ILE 22 2.448 0.655 -7.396 156 HB ILE 22 HB ILE 22 1.173 -1.975 -6.703 157 1HG1 ILE 22 2HG1 ILE 22 3.390 -0.263 -5.618 158 2HG1 ILE 22 1HG1 ILE 22 1.977 -0.902 -4.788 159 1HG2 ILE 22 1HG2 ILE 22 3.525 -2.929 -7.210 160 2HG2 ILE 22 2HG2 ILE 22 2.380 -2.706 -8.534 161 3HG2 ILE 22 3HG2 ILE 22 3.675 -1.537 -8.283 162 1HD1 ILE 22 1HD1 ILE 22 4.536 -2.272 -5.481 163 2HD1 ILE 22 2HD1 ILE 22 3.709 -2.159 -3.928 164 3HD1 ILE 22 3HD1 ILE 22 3.066 -3.204 -5.197 165 H ASP 23 H ASP 23 -0.182 -1.359 -8.633 166 HA ASP 23 HA ASP 23 -0.180 -0.467 -11.263 167 1HB ASP 23 2HB ASP 23 2.126 -1.521 -11.263 168 2HB ASP 23 1HB ASP 23 1.343 -3.071 -10.982 169 H GLN 24 H GLN 24 -0.961 -2.501 -8.762 170 HA GLN 24 HA GLN 24 -3.322 -3.468 -10.144 171 1HB GLN 24 2HB GLN 24 -3.063 -5.727 -9.272 172 2HB GLN 24 1HB GLN 24 -1.676 -5.312 -10.268 173 1HG GLN 24 2HG GLN 24 -1.129 -4.589 -7.565 174 2HG GLN 24 1HG GLN 24 -1.705 -6.254 -7.615 175 1HE2 GLN 24 1HE2 GLN 24 0.205 -4.423 -9.973 176 2HE2 GLN 24 2HE2 GLN 24 1.565 -5.504 -9.959 177 H TYR 25 H TYR 25 -4.663 -4.692 -8.314 178 HA TYR 25 HA TYR 25 -4.881 -2.733 -6.162 179 1HB TYR 25 2HB TYR 25 -6.831 -4.974 -6.607 180 2HB TYR 25 1HB TYR 25 -7.110 -3.379 -5.905 181 HD1 TYR 25 1HD TYR 25 -6.199 -1.480 -7.784 182 HD2 TYR 25 2HD TYR 25 -8.025 -5.245 -8.547 183 HE1 TYR 25 1HE TYR 25 -6.953 -0.661 -9.974 184 HE2 TYR 25 2HE TYR 25 -8.781 -4.438 -10.749 185 HH TYR 25 HH TYR 25 -7.610 -2.182 -12.369 186 H TRP 26 H TRP 26 -5.146 -3.391 -3.980 187 HA TRP 26 HA TRP 26 -4.011 -6.024 -3.349 188 1HB TRP 26 2HB TRP 26 -3.278 -3.413 -1.995 189 2HB TRP 26 1HB TRP 26 -2.650 -5.004 -1.583 190 HD1 TRP 26 HD TRP 26 -2.097 -2.101 -3.926 191 HE1 TRP 26 1HE TRP 26 -0.032 -2.568 -5.385 192 HE3 TRP 26 3HE TRP 26 -1.369 -7.013 -2.731 193 HZ2 TRP 26 2HZ TRP 26 1.693 -4.743 -5.944 194 HZ3 TRP 26 3HZ TRP 26 0.506 -8.217 -3.764 195 HH2 TRP 26 HH TRP 26 2.004 -7.105 -5.341 196 H HIS 27 H HIS 27 -3.996 -5.708 -0.625 197 HA HIS 27 HA HIS 27 -6.833 -5.266 0.038 198 1HB HIS 27 2HB HIS 27 -4.981 -7.449 0.792 199 2HB HIS 27 1HB HIS 27 -5.960 -6.801 2.103 200 HD2 HIS 27 2HD HIS 27 -8.852 -6.643 1.042 201 HE1 HIS 27 1HE HIS 27 -8.223 -10.465 -0.674 202 HE2 HIS 27 2HE HIS 27 -9.962 -8.865 0.266 203 H GLU 28 H GLU 28 -7.039 -4.732 2.468 204 HA GLU 28 HA GLU 28 -5.633 -2.338 2.934 205 1HB GLU 28 2HB GLU 28 -7.773 -3.845 4.174 206 2HB GLU 28 1HB GLU 28 -6.705 -3.147 5.383 207 1HG GLU 28 2HG GLU 28 -7.068 -1.063 3.646 208 2HG GLU 28 1HG GLU 28 -8.638 -1.862 3.622 209 H ASP 29 H ASP 29 -5.272 -5.599 4.255 210 HA ASP 29 HA ASP 29 -2.829 -4.690 5.646 211 1HB ASP 29 2HB ASP 29 -4.805 -5.551 7.018 212 2HB ASP 29 1HB ASP 29 -4.443 -7.138 6.351 213 H CYS 30 H CYS 30 -3.344 -5.868 2.820 214 HA CYS 30 HA CYS 30 -1.844 -8.343 3.025 215 1HB CYS 30 2HB CYS 30 -3.596 -7.139 1.017 216 2HB CYS 30 1HB CYS 30 -2.182 -7.940 0.332 217 H LEU 31 H LEU 31 -1.404 -5.166 1.480 218 HA LEU 31 HA LEU 31 1.137 -5.794 0.400 219 1HB LEU 31 2HB LEU 31 -0.355 -3.882 -0.303 220 2HB LEU 31 1HB LEU 31 0.156 -3.043 1.152 221 HG LEU 31 HG LEU 31 2.499 -3.137 0.355 222 1HD1 LEU 31 1HD1 LEU 31 1.727 -5.160 -1.238 223 2HD1 LEU 31 2HD1 LEU 31 1.660 -3.825 -2.386 224 3HD1 LEU 31 3HD1 LEU 31 3.163 -4.180 -1.536 225 1HD2 LEU 31 1HD2 LEU 31 2.309 -1.322 -1.090 226 2HD2 LEU 31 2HD2 LEU 31 0.811 -1.925 -1.801 227 3HD2 LEU 31 3HD2 LEU 31 0.808 -1.269 -0.162 228 H SER 32 H SER 32 2.810 -6.367 1.570 229 HA SER 32 HA SER 32 3.475 -4.788 3.955 230 1HB SER 32 2HB SER 32 4.313 -7.338 4.622 231 2HB SER 32 1HB SER 32 2.860 -6.542 5.232 232 HG SER 32 HG SER 32 1.974 -7.441 3.075 233 H CYS 33 H CYS 33 5.755 -5.753 4.746 234 HA CYS 33 HA CYS 33 7.696 -4.911 2.977 235 1HB CYS 33 2HB CYS 33 7.575 -6.401 5.528 236 2HB CYS 33 1HB CYS 33 9.060 -6.576 4.610 237 H ASP 34 H ASP 34 8.099 -5.811 1.042 238 HA ASP 34 HA ASP 34 7.802 -8.637 0.538 239 1HB ASP 34 2HB ASP 34 7.554 -6.623 -1.124 240 2HB ASP 34 1HB ASP 34 9.295 -6.786 -1.286 241 H LEU 35 H LEU 35 10.385 -6.356 1.083 242 HA LEU 35 HA LEU 35 12.470 -8.267 0.589 243 1HB LEU 35 2HB LEU 35 12.651 -5.804 0.180 244 2HB LEU 35 1HB LEU 35 12.670 -5.563 1.914 245 HG LEU 35 HG LEU 35 14.728 -7.051 1.969 246 1HD1 LEU 35 1HD1 LEU 35 14.521 -8.114 -0.180 247 2HD1 LEU 35 2HD1 LEU 35 14.579 -6.553 -1.000 248 3HD1 LEU 35 3HD1 LEU 35 16.003 -7.157 -0.151 249 1HD2 LEU 35 1HD2 LEU 35 15.407 -4.689 0.329 250 2HD2 LEU 35 2HD2 LEU 35 14.475 -4.397 1.798 251 3HD2 LEU 35 3HD2 LEU 35 16.037 -5.209 1.891 252 H CYS 36 H CYS 36 11.635 -6.389 3.491 253 HA CYS 36 HA CYS 36 13.210 -8.016 5.181 254 1HB CYS 36 2HB CYS 36 11.105 -6.224 6.286 255 2HB CYS 36 1HB CYS 36 12.775 -6.444 6.798 256 H GLY 37 H GLY 37 9.701 -7.443 5.228 257 1HA GLY 37 1HA GLY 37 8.290 -9.473 5.115 258 2HA GLY 37 2HA GLY 37 9.396 -10.191 6.277 259 H CYS 38 H CYS 38 8.732 -6.902 6.916 260 HA CYS 38 HA CYS 38 6.765 -7.725 8.942 261 1HB CYS 38 2HB CYS 38 7.869 -5.209 9.642 262 2HB CYS 38 1HB CYS 38 8.067 -6.751 10.465 263 HG CYS 38 HG CYS 38 10.286 -4.978 8.813 264 H ARG 39 H ARG 39 7.431 -4.355 8.317 265 HA ARG 39 HA ARG 39 5.098 -4.083 6.609 266 1HB ARG 39 2HB ARG 39 4.863 -3.695 9.364 267 2HB ARG 39 1HB ARG 39 4.994 -2.074 8.699 268 1HG ARG 39 2HG ARG 39 2.974 -2.172 7.711 269 2HG ARG 39 1HG ARG 39 3.140 -3.880 7.301 270 1HD ARG 39 2HD ARG 39 2.984 -4.050 9.985 271 2HD ARG 39 1HD ARG 39 2.013 -2.604 9.710 272 HE ARG 39 HE ARG 39 0.386 -3.900 8.732 273 1HH1 ARG 39 2HH1 ARG 39 3.291 -5.818 9.209 274 2HH1 ARG 39 1HH1 ARG 39 2.543 -7.303 8.702 275 1HH2 ARG 39 2HH2 ARG 39 -0.611 -5.874 8.107 276 2HH2 ARG 39 1HH2 ARG 39 0.324 -7.346 8.129 277 H LEU 40 H LEU 40 5.087 -2.174 5.410 278 HA LEU 40 HA LEU 40 7.705 -1.029 5.048 279 1HB LEU 40 2HB LEU 40 5.425 0.056 3.516 280 2HB LEU 40 1HB LEU 40 7.014 -0.441 2.966 281 HG LEU 40 HG LEU 40 5.463 -2.733 3.816 282 1HD1 LEU 40 1HD1 LEU 40 3.441 -1.993 3.165 283 2HD1 LEU 40 2HD1 LEU 40 4.113 -0.710 2.157 284 3HD1 LEU 40 3HD1 LEU 40 4.057 -2.368 1.554 285 1HD2 LEU 40 1HD2 LEU 40 6.041 -2.522 0.997 286 2HD2 LEU 40 2HD2 LEU 40 7.441 -2.100 1.982 287 3HD2 LEU 40 3HD2 LEU 40 6.652 -3.663 2.196 288 H GLY 41 H GLY 41 7.257 -0.175 7.415 289 1HA GLY 41 1HA GLY 41 7.286 1.775 8.655 290 2HA GLY 41 2HA GLY 41 6.984 2.672 7.168 291 H GLU 42 H GLU 42 5.090 0.086 8.609 292 HA GLU 42 HA GLU 42 2.928 -0.113 9.199 293 1HB GLU 42 2HB GLU 42 3.586 2.633 10.192 294 2HB GLU 42 1HB GLU 42 1.983 1.947 10.425 295 1HG GLU 42 2HG GLU 42 4.592 1.124 11.600 296 2HG GLU 42 1HG GLU 42 3.039 1.393 12.391 297 H VAL 43 H VAL 43 2.410 3.300 8.594 298 HA VAL 43 HA VAL 43 0.322 2.688 6.701 299 HB VAL 43 HB VAL 43 1.344 5.467 7.205 300 1HG1 VAL 43 1HG1 VAL 43 -1.018 6.046 6.887 301 2HG1 VAL 43 2HG1 VAL 43 -0.380 5.151 5.508 302 3HG1 VAL 43 3HG1 VAL 43 -1.408 4.337 6.687 303 1HG2 VAL 43 1HG2 VAL 43 1.051 5.157 9.409 304 2HG2 VAL 43 2HG2 VAL 43 -0.671 5.188 9.031 305 3HG2 VAL 43 3HG2 VAL 43 0.170 3.646 9.176 306 H GLY 44 H GLY 44 0.484 2.686 4.549 307 1HA GLY 44 1HA GLY 44 3.075 2.897 3.344 308 2HA GLY 44 2HA GLY 44 1.568 2.517 2.525 309 H ARG 45 H ARG 45 3.733 5.019 3.541 310 HA ARG 45 HA ARG 45 2.231 6.962 1.908 311 1HB ARG 45 2HB ARG 45 2.775 7.287 4.493 312 2HB ARG 45 1HB ARG 45 4.313 7.847 3.850 313 1HG ARG 45 2HG ARG 45 2.570 9.213 2.288 314 2HG ARG 45 1HG ARG 45 1.670 9.113 3.804 315 1HD ARG 45 2HD ARG 45 4.176 10.550 3.164 316 2HD ARG 45 1HD ARG 45 2.854 11.001 4.239 317 HE ARG 45 HE ARG 45 3.810 9.288 5.812 318 1HH1 ARG 45 2HH1 ARG 45 5.802 10.905 3.422 319 2HH1 ARG 45 1HH1 ARG 45 7.262 10.779 4.363 320 1HH2 ARG 45 2HH2 ARG 45 5.746 9.064 7.028 321 2HH2 ARG 45 1HH2 ARG 45 7.242 9.662 6.364 322 H ARG 46 H ARG 46 5.308 5.480 2.591 323 HA ARG 46 HA ARG 46 6.393 6.704 0.140 324 1HB ARG 46 2HB ARG 46 8.046 5.797 2.504 325 2HB ARG 46 1HB ARG 46 8.592 6.698 1.095 326 1HG ARG 46 2HG ARG 46 6.749 8.407 1.998 327 2HG ARG 46 1HG ARG 46 7.194 7.636 3.521 328 1HD ARG 46 2HD ARG 46 8.822 9.184 3.554 329 2HD ARG 46 1HD ARG 46 9.637 8.081 2.444 330 HE ARG 46 HE ARG 46 8.077 9.709 0.863 331 1HH1 ARG 46 2HH1 ARG 46 10.691 10.166 3.152 332 2HH1 ARG 46 1HH1 ARG 46 11.323 11.561 2.331 333 1HH2 ARG 46 2HH2 ARG 46 8.890 11.555 -0.194 334 2HH2 ARG 46 1HH2 ARG 46 10.307 12.357 0.427 335 H LEU 47 H LEU 47 5.471 4.912 -0.983 336 HA LEU 47 HA LEU 47 6.978 2.412 -0.628 337 1HB LEU 47 2HB LEU 47 4.537 2.405 0.222 338 2HB LEU 47 1HB LEU 47 4.094 2.445 -1.473 339 HG LEU 47 HG LEU 47 4.296 0.168 -0.116 340 1HD1 LEU 47 1HD1 LEU 47 5.441 -0.148 -2.795 341 2HD1 LEU 47 2HD1 LEU 47 3.958 -0.806 -2.104 342 3HD1 LEU 47 3HD1 LEU 47 3.984 0.844 -2.726 343 1HD2 LEU 47 1HD2 LEU 47 6.364 -0.911 -0.255 344 2HD2 LEU 47 2HD2 LEU 47 7.024 0.299 -1.356 345 3HD2 LEU 47 3HD2 LEU 47 6.748 0.706 0.336 346 H TYR 48 H TYR 48 8.240 2.341 -2.324 347 HA TYR 48 HA TYR 48 7.008 2.649 -4.960 348 1HB TYR 48 2HB TYR 48 8.467 4.223 -5.570 349 2HB TYR 48 1HB TYR 48 9.062 4.269 -3.917 350 HD1 TYR 48 1HD TYR 48 11.135 3.272 -3.324 351 HD2 TYR 48 2HD TYR 48 9.641 2.937 -7.281 352 HE1 TYR 48 1HE TYR 48 13.343 2.478 -4.077 353 HE2 TYR 48 2HE TYR 48 11.839 2.140 -8.061 354 HH TYR 48 HH TYR 48 14.017 1.920 -7.508 355 H TYR 49 H TYR 49 7.161 0.911 -6.165 356 HA TYR 49 HA TYR 49 8.759 -1.299 -5.161 357 1HB TYR 49 2HB TYR 49 7.374 -2.728 -6.387 358 2HB TYR 49 1HB TYR 49 6.278 -1.450 -5.862 359 HD1 TYR 49 1HD TYR 49 5.786 0.430 -7.559 360 HD2 TYR 49 2HD TYR 49 7.539 -3.293 -8.628 361 HE1 TYR 49 1HE TYR 49 5.097 0.787 -9.891 362 HE2 TYR 49 2HE TYR 49 6.858 -2.949 -10.969 363 HH TYR 49 HH TYR 49 4.622 -0.598 -11.905 364 H LYS 50 H LYS 50 10.315 -2.360 -6.367 365 HA LYS 50 HA LYS 50 11.784 -0.663 -8.150 366 1HB LYS 50 2HB LYS 50 12.247 -3.153 -6.654 367 2HB LYS 50 1HB LYS 50 13.079 -3.070 -8.198 368 1HG LYS 50 2HG LYS 50 13.654 -0.628 -7.212 369 2HG LYS 50 1HG LYS 50 13.532 -1.562 -5.719 370 1HD LYS 50 2HD LYS 50 15.425 -2.698 -6.136 371 2HD LYS 50 1HD LYS 50 15.047 -2.883 -7.850 372 1HE LYS 50 2HE LYS 50 15.704 -0.508 -8.188 373 2HE LYS 50 1HE LYS 50 16.214 -0.453 -6.502 374 1HZ LYS 50 1HZ LYS 50 18.176 -1.153 -7.229 375 2HZ LYS 50 2HZ LYS 50 17.573 -1.520 -8.774 376 3HZ LYS 50 3HZ LYS 50 17.461 -2.662 -7.525 377 H LEU 51 H LEU 51 12.739 -1.645 -10.154 378 HA LEU 51 HA LEU 51 11.066 -1.777 -12.181 379 1HB LEU 51 2HB LEU 51 12.728 -2.740 -13.532 380 2HB LEU 51 1HB LEU 51 13.562 -1.848 -12.278 381 HG LEU 51 HG LEU 51 13.139 -4.825 -12.109 382 1HD1 LEU 51 1HD1 LEU 51 14.672 -3.501 -14.041 383 2HD1 LEU 51 2HD1 LEU 51 15.816 -4.083 -12.832 384 3HD1 LEU 51 3HD1 LEU 51 14.712 -5.212 -13.618 385 1HD2 LEU 51 1HD2 LEU 51 14.830 -2.809 -10.678 386 2HD2 LEU 51 2HD2 LEU 51 13.749 -4.034 -10.014 387 3HD2 LEU 51 3HD2 LEU 51 15.291 -4.511 -10.727 388 H GLY 52 H GLY 52 11.958 -4.756 -10.431 389 1HA GLY 52 1HA GLY 52 9.460 -5.925 -11.452 390 2HA GLY 52 2HA GLY 52 10.963 -6.822 -11.617 391 H ARG 53 H ARG 53 10.461 -4.847 -8.814 392 HA ARG 53 HA ARG 53 9.690 -7.196 -7.231 393 1HB ARG 53 2HB ARG 53 11.847 -5.333 -6.258 394 2HB ARG 53 1HB ARG 53 11.400 -6.912 -5.626 395 1HG ARG 53 2HG ARG 53 12.148 -7.438 -8.229 396 2HG ARG 53 1HG ARG 53 13.292 -6.205 -7.695 397 1HD ARG 53 2HD ARG 53 14.308 -7.600 -6.268 398 2HD ARG 53 1HD ARG 53 12.784 -8.301 -5.719 399 HE ARG 53 HE ARG 53 14.229 -9.104 -8.167 400 1HH1 ARG 53 2HH1 ARG 53 12.070 -9.820 -5.488 401 2HH1 ARG 53 1HH1 ARG 53 11.882 -11.497 -5.929 402 1HH2 ARG 53 2HH2 ARG 53 13.993 -11.302 -8.728 403 2HH2 ARG 53 1HH2 ARG 53 12.978 -12.331 -7.761 404 H LYS 54 H LYS 54 7.877 -6.639 -6.213 405 HA LYS 54 HA LYS 54 7.270 -3.863 -5.649 406 1HB LYS 54 2HB LYS 54 5.177 -4.895 -4.593 407 2HB LYS 54 1HB LYS 54 5.380 -5.071 -6.329 408 1HG LYS 54 2HG LYS 54 5.254 -7.271 -6.166 409 2HG LYS 54 1HG LYS 54 6.580 -7.300 -4.999 410 1HD LYS 54 2HD LYS 54 5.099 -7.033 -3.169 411 2HD LYS 54 1HD LYS 54 3.756 -6.604 -4.229 412 1HE LYS 54 2HE LYS 54 3.428 -8.848 -3.464 413 2HE LYS 54 1HE LYS 54 3.842 -8.895 -5.180 414 1HZ LYS 54 1HZ LYS 54 4.974 -10.494 -3.471 415 2HZ LYS 54 2HZ LYS 54 6.002 -9.170 -3.207 416 3HZ LYS 54 3HZ LYS 54 5.858 -9.840 -4.762 417 H LEU 55 H LEU 55 9.450 -4.171 -4.336 418 HA LEU 55 HA LEU 55 8.925 -5.060 -1.616 419 1HB LEU 55 2HB LEU 55 11.193 -5.182 -1.287 420 2HB LEU 55 1HB LEU 55 11.051 -5.577 -2.988 421 HG LEU 55 HG LEU 55 11.476 -2.722 -2.432 422 1HD1 LEU 55 1HD1 LEU 55 12.881 -4.250 -0.768 423 2HD1 LEU 55 2HD1 LEU 55 13.922 -4.369 -2.188 424 3HD1 LEU 55 3HD1 LEU 55 13.541 -2.789 -1.503 425 1HD2 LEU 55 1HD2 LEU 55 13.159 -3.085 -4.245 426 2HD2 LEU 55 2HD2 LEU 55 12.654 -4.775 -4.287 427 3HD2 LEU 55 3HD2 LEU 55 11.501 -3.501 -4.679 428 H CYS 56 H CYS 56 10.126 -3.606 0.064 429 HA CYS 56 HA CYS 56 8.658 -1.207 0.259 430 1HB CYS 56 2HB CYS 56 10.876 -1.270 2.058 431 2HB CYS 56 1HB CYS 56 9.175 -1.603 2.403 432 H ARG 57 H ARG 57 9.519 0.933 0.507 433 HA ARG 57 HA ARG 57 11.650 1.423 -1.425 434 1HB ARG 57 2HB ARG 57 10.059 2.890 -2.082 435 2HB ARG 57 1HB ARG 57 9.261 2.869 -0.519 436 1HG ARG 57 2HG ARG 57 9.979 5.075 -0.840 437 2HG ARG 57 1HG ARG 57 11.121 4.368 0.304 438 1HD ARG 57 2HD ARG 57 12.800 4.170 -1.334 439 2HD ARG 57 1HD ARG 57 11.655 4.425 -2.651 440 HE ARG 57 HE ARG 57 11.566 6.721 -1.126 441 1HH1 ARG 57 2HH1 ARG 57 14.015 4.960 -2.891 442 2HH1 ARG 57 1HH1 ARG 57 14.885 6.381 -3.381 443 1HH2 ARG 57 2HH2 ARG 57 12.757 8.602 -1.671 444 2HH2 ARG 57 1HH2 ARG 57 14.196 8.458 -2.646 445 H ARG 58 H ARG 58 10.741 2.246 1.898 446 HA ARG 58 HA ARG 58 13.154 3.730 2.335 447 1HB ARG 58 2HB ARG 58 11.089 2.681 4.278 448 2HB ARG 58 1HB ARG 58 12.430 3.719 4.729 449 1HG ARG 58 2HG ARG 58 9.914 4.370 3.320 450 2HG ARG 58 1HG ARG 58 10.825 5.299 4.508 451 1HD ARG 58 2HD ARG 58 12.020 4.886 1.814 452 2HD ARG 58 1HD ARG 58 10.689 6.031 1.969 453 HE ARG 58 HE ARG 58 12.908 6.348 3.834 454 1HH1 ARG 58 2HH1 ARG 58 11.271 7.462 0.914 455 2HH1 ARG 58 1HH1 ARG 58 12.205 8.927 0.817 456 1HH2 ARG 58 2HH2 ARG 58 14.105 8.293 3.694 457 2HH2 ARG 58 1HH2 ARG 58 13.792 9.402 2.382 458 H ASP 59 H ASP 59 12.211 0.430 2.577 459 HA ASP 59 HA ASP 59 14.504 -0.302 4.204 460 1HB ASP 59 2HB ASP 59 12.411 -2.026 2.857 461 2HB ASP 59 1HB ASP 59 13.659 -2.613 3.952 462 H TYR 60 H TYR 60 13.523 -0.198 0.876 463 HA TYR 60 HA TYR 60 15.659 -1.692 -0.265 464 1HB TYR 60 2HB TYR 60 14.328 -1.234 -2.031 465 2HB TYR 60 1HB TYR 60 13.555 0.104 -1.191 466 HD1 TYR 60 1HD TYR 60 14.533 2.400 -1.357 467 HD2 TYR 60 2HD TYR 60 16.050 -0.864 -3.634 468 HE1 TYR 60 1HE TYR 60 15.673 3.982 -2.852 469 HE2 TYR 60 2HE TYR 60 17.205 0.716 -5.126 470 HH TYR 60 HH TYR 60 17.789 2.844 -5.463 471 H LEU 61 H LEU 61 15.245 1.524 0.964 472 HA LEU 61 HA LEU 61 17.470 2.779 -0.124 473 1HB LEU 61 2HB LEU 61 15.388 3.405 1.580 474 2HB LEU 61 1HB LEU 61 16.823 3.687 2.553 475 HG LEU 61 HG LEU 61 17.085 4.823 -0.102 476 1HD1 LEU 61 1HD1 LEU 61 14.539 5.130 1.253 477 2HD1 LEU 61 2HD1 LEU 61 15.348 6.674 0.981 478 3HD1 LEU 61 3HD1 LEU 61 15.019 5.599 -0.378 479 1HD2 LEU 61 1HD2 LEU 61 17.403 6.886 1.426 480 2HD2 LEU 61 2HD2 LEU 61 17.358 5.711 2.741 481 3HD2 LEU 61 3HD2 LEU 61 18.589 5.581 1.483 482 H ARG 62 H ARG 62 17.294 0.451 2.415 483 HA ARG 62 HA ARG 62 19.682 1.127 3.777 484 1HB ARG 62 2HB ARG 62 17.760 -1.048 3.763 485 2HB ARG 62 1HB ARG 62 19.401 -1.638 3.965 486 1HG ARG 62 2HG ARG 62 17.850 0.229 5.716 487 2HG ARG 62 1HG ARG 62 18.633 -1.295 6.136 488 1HD ARG 62 2HD ARG 62 20.530 -0.253 6.645 489 2HD ARG 62 1HD ARG 62 20.555 0.571 5.087 490 HE ARG 62 HE ARG 62 18.678 1.850 6.738 491 1HH1 ARG 62 2HH1 ARG 62 22.145 1.348 6.567 492 2HH1 ARG 62 1HH1 ARG 62 22.525 2.867 7.332 493 1HH2 ARG 62 2HH2 ARG 62 19.168 3.825 7.730 494 2HH2 ARG 62 1HH2 ARG 62 20.826 4.286 7.987 495 H LEU 63 H LEU 63 19.053 -0.484 0.765 496 HA LEU 63 HA LEU 63 21.914 -1.156 0.557 497 1HB LEU 63 2HB LEU 63 21.058 -2.723 -1.311 498 2HB LEU 63 1HB LEU 63 20.860 -3.200 0.364 499 HG LEU 63 HG LEU 63 18.560 -1.725 -0.663 500 1HD1 LEU 63 1HD1 LEU 63 18.305 -4.344 -1.756 501 2HD1 LEU 63 2HD1 LEU 63 18.164 -2.784 -2.569 502 3HD1 LEU 63 3HD1 LEU 63 19.736 -3.574 -2.440 503 1HD2 LEU 63 1HD2 LEU 63 18.734 -4.505 0.461 504 2HD2 LEU 63 2HD2 LEU 63 18.766 -3.055 1.464 505 3HD2 LEU 63 3HD2 LEU 63 17.352 -3.411 0.470 506 H GLY 64 H GLY 64 19.139 0.200 -1.160 507 1HA GLY 64 1HA GLY 64 20.898 0.907 -3.399 508 2HA GLY 64 2HA GLY 64 19.143 0.906 -3.427 509 H GLY 65 H GLY 65 19.642 2.388 -0.657 510 1HA GLY 65 1HA GLY 65 19.876 5.046 -1.925 511 2HA GLY 65 2HA GLY 65 18.848 4.711 -0.535 512 H SER 66 H SER 66 22.145 3.650 -1.167 513 HA SER 66 HA SER 66 23.869 3.450 0.341 514 1HB SER 66 2HB SER 66 23.775 6.452 0.334 515 2HB SER 66 1HB SER 66 25.176 5.383 0.247 516 HG SER 66 HG SER 66 23.198 5.559 -1.788 517 H GLY 67 H GLY 67 21.582 3.162 1.827 518 1HA GLY 67 1HA GLY 67 20.500 3.596 3.836 519 2HA GLY 67 2HA GLY 67 22.072 3.059 4.383 520 H GLY 68 H GLY 68 21.174 6.177 2.932 521 1HA GLY 68 1HA GLY 68 21.306 8.315 3.752 522 2HA GLY 68 2HA GLY 68 20.835 7.612 5.290 523 H HIS 69 H HIS 69 23.804 6.877 3.547 524 HA HIS 69 HA HIS 69 25.451 7.174 5.784 525 1HB HIS 69 2HB HIS 69 25.820 6.738 2.907 526 2HB HIS 69 1HB HIS 69 27.159 7.590 3.667 527 HD2 HIS 69 2HD HIS 69 25.143 4.319 4.609 528 HE1 HIS 69 1HE HIS 69 29.290 3.753 5.240 529 HE2 HIS 69 2HE HIS 69 26.983 2.753 5.560 530 H MET 70 H MET 70 25.369 9.288 2.922 531 HA MET 70 HA MET 70 26.408 11.496 4.556 532 1HB MET 70 2HB MET 70 26.006 11.256 1.567 533 2HB MET 70 1HB MET 70 26.697 12.654 2.381 534 1HG MET 70 2HG MET 70 28.207 10.501 3.273 535 2HG MET 70 1HG MET 70 27.947 10.193 1.559 536 1HE MET 70 1HE MET 70 30.033 12.132 -0.334 537 2HE MET 70 2HE MET 70 30.946 11.023 0.692 538 3HE MET 70 3HE MET 70 29.333 10.581 0.130 539 H GLY 71 H GLY 71 23.556 10.245 3.271 540 1HA GLY 71 1HA GLY 71 21.411 11.204 3.931 541 2HA GLY 71 2HA GLY 71 22.141 12.795 3.734 542 H SER 72 H SER 72 23.560 12.008 1.344 543 HA SER 72 HA SER 72 21.395 12.269 -0.582 544 1HB SER 72 2HB SER 72 24.264 12.269 -1.395 545 2HB SER 72 1HB SER 72 22.931 13.273 -1.971 546 HG SER 72 HG SER 72 23.027 14.415 0.013 547 H GLY 73 H GLY 73 22.070 11.097 -2.784 548 1HA GLY 73 1HA GLY 73 23.419 8.649 -2.720 549 2HA GLY 73 2HA GLY 73 21.728 8.334 -2.348 550 H GLY 74 H GLY 74 21.940 7.080 -4.420 551 1HA GLY 74 1HA GLY 74 20.446 7.857 -6.422 552 2HA GLY 74 2HA GLY 74 21.874 8.818 -6.782 553 H ASP 75 H ASP 75 20.927 7.054 -8.612 554 HA ASP 75 HA ASP 75 22.632 4.679 -8.436 555 1HB ASP 75 2HB ASP 75 20.248 4.444 -9.177 556 2HB ASP 75 1HB ASP 75 20.638 5.428 -10.585 557 H VAL 76 H VAL 76 24.527 4.596 -9.451 558 HA VAL 76 HA VAL 76 25.524 6.911 -10.771 559 HB VAL 76 HB VAL 76 26.832 4.193 -10.747 560 1HG1 VAL 76 1HG1 VAL 76 28.194 6.865 -10.688 561 2HG1 VAL 76 2HG1 VAL 76 28.840 5.298 -11.175 562 3HG1 VAL 76 3HG1 VAL 76 27.682 6.134 -12.210 563 1HG2 VAL 76 1HG2 VAL 76 28.026 5.117 -8.704 564 2HG2 VAL 76 2HG2 VAL 76 26.746 6.330 -8.631 565 3HG2 VAL 76 3HG2 VAL 76 26.350 4.617 -8.476 566 H MET 77 H MET 77 24.519 7.377 -12.625 567 HA MET 77 HA MET 77 23.917 5.379 -14.596 568 1HB MET 77 2HB MET 77 23.780 8.358 -15.005 569 2HB MET 77 1HB MET 77 22.813 7.103 -15.775 570 1HG MET 77 2HG MET 77 21.611 6.691 -13.780 571 2HG MET 77 1HG MET 77 22.714 7.680 -12.834 572 1HE MET 77 1HE MET 77 20.986 8.791 -11.698 573 2HE MET 77 2HE MET 77 21.878 10.243 -12.149 574 3HE MET 77 3HE MET 77 20.121 10.207 -12.292 575 H VAL 78 H VAL 78 24.676 5.363 -16.761 576 HA VAL 78 HA VAL 78 27.474 5.455 -16.928 577 HB VAL 78 HB VAL 78 27.216 4.866 -19.292 578 1HG1 VAL 78 1HG1 VAL 78 26.712 3.304 -17.233 579 2HG1 VAL 78 2HG1 VAL 78 25.091 3.297 -17.930 580 3HG1 VAL 78 3HG1 VAL 78 26.464 2.745 -18.888 581 1HG2 VAL 78 1HG2 VAL 78 25.388 5.284 -20.516 582 2HG2 VAL 78 2HG2 VAL 78 24.306 4.686 -19.258 583 3HG2 VAL 78 3HG2 VAL 78 24.901 6.345 -19.193 584 H VAL 79 H VAL 79 25.217 7.921 -17.424 585 HA VAL 79 HA VAL 79 26.777 9.449 -19.301 586 HB VAL 79 HB VAL 79 24.976 11.179 -17.976 587 1HG1 VAL 79 1HG1 VAL 79 23.777 11.036 -20.179 588 2HG1 VAL 79 2HG1 VAL 79 25.500 11.402 -20.279 589 3HG1 VAL 79 3HG1 VAL 79 24.922 9.774 -20.633 590 1HG2 VAL 79 1HG2 VAL 79 23.148 10.038 -17.411 591 2HG2 VAL 79 2HG2 VAL 79 23.159 9.148 -18.933 592 3HG2 VAL 79 3HG2 VAL 79 24.107 8.566 -17.565 593 H GLY 80 H GLY 80 27.723 8.613 -16.477 594 1HA GLY 80 1HA GLY 80 29.324 9.487 -15.072 595 2HA GLY 80 2HA GLY 80 29.284 10.967 -16.020 596 H GLU 81 H GLU 81 26.603 9.390 -14.374 597 HA GLU 81 HA GLU 81 26.338 11.788 -12.688 598 1HB GLU 81 2HB GLU 81 24.016 9.976 -13.197 599 2HB GLU 81 1HB GLU 81 24.031 11.704 -12.873 600 1HG GLU 81 2HG GLU 81 25.362 11.295 -15.330 601 2HG GLU 81 1HG GLU 81 23.879 10.344 -15.367 602 HA PRO 82 HA PRO 82 27.070 8.490 -9.695 603 1HB PRO 82 2HB PRO 82 28.636 9.876 -8.041 604 2HB PRO 82 1HB PRO 82 29.226 9.365 -9.623 605 1HG PRO 82 2HG PRO 82 28.262 12.047 -8.736 606 2HG PRO 82 1HG PRO 82 29.618 11.639 -9.802 607 1HD PRO 82 2HD PRO 82 27.076 12.430 -10.635 608 2HD PRO 82 1HD PRO 82 28.281 11.608 -11.644 609 H THR 83 H THR 83 27.448 9.629 -6.980 610 HA THR 83 HA THR 83 24.834 9.490 -6.019 611 HB THR 83 HB THR 83 26.445 10.990 -4.196 612 HG1 THR 83 1HG THR 83 28.399 10.258 -4.550 613 1HG2 THR 83 1HG2 THR 83 26.477 8.174 -3.660 614 2HG2 THR 83 2HG2 THR 83 24.885 8.637 -4.263 615 3HG2 THR 83 3HG2 THR 83 25.560 9.446 -2.849 616 H LEU 84 H LEU 84 23.242 10.915 -6.244 617 HA LEU 84 HA LEU 84 23.752 13.659 -6.964 618 1HB LEU 84 2HB LEU 84 21.214 12.109 -6.450 619 2HB LEU 84 1HB LEU 84 21.234 13.807 -6.887 620 HG LEU 84 HG LEU 84 22.803 12.458 -8.812 621 1HD1 LEU 84 1HD1 LEU 84 20.854 11.006 -9.703 622 2HD1 LEU 84 2HD1 LEU 84 21.912 10.354 -8.452 623 3HD1 LEU 84 3HD1 LEU 84 20.323 10.987 -8.022 624 1HD2 LEU 84 1HD2 LEU 84 21.240 13.363 -10.343 625 2HD2 LEU 84 2HD2 LEU 84 19.974 13.437 -9.115 626 3HD2 LEU 84 3HD2 LEU 84 21.369 14.515 -9.013 627 H MET 85 H MET 85 23.877 15.328 -5.618 628 HA MET 85 HA MET 85 23.765 14.818 -2.794 629 1HB MET 85 2HB MET 85 25.260 16.479 -4.344 630 2HB MET 85 1HB MET 85 24.089 17.607 -3.669 631 1HG MET 85 2HG MET 85 25.190 17.650 -1.757 632 2HG MET 85 1HG MET 85 25.011 15.907 -1.584 633 1HE MET 85 1HE MET 85 27.050 17.137 -0.198 634 2HE MET 85 2HE MET 85 28.694 16.744 -0.705 635 3HE MET 85 3HE MET 85 27.972 18.286 -1.169 636 H GLY 86 H GLY 86 21.314 15.282 -4.787 637 1HA GLY 86 1HA GLY 86 19.870 17.234 -3.156 638 2HA GLY 86 2HA GLY 86 19.314 16.532 -4.669 639 H GLY 87 H GLY 87 20.502 14.021 -2.938 640 1HA GLY 87 1HA GLY 87 19.598 12.567 -1.336 641 2HA GLY 87 2HA GLY 87 18.194 13.615 -1.216 642 H GLU 88 H GLU 88 18.609 13.229 -4.423 643 HA GLU 88 HA GLU 88 16.462 11.341 -4.607 644 1HB GLU 88 2HB GLU 88 18.101 12.457 -6.874 645 2HB GLU 88 1HB GLU 88 16.438 11.880 -6.918 646 1HG GLU 88 2HG GLU 88 15.811 13.984 -6.661 647 2HG GLU 88 1HG GLU 88 16.405 13.887 -5.013 648 H PHE 89 H PHE 89 16.922 9.284 -4.214 649 HA PHE 89 HA PHE 89 19.487 8.164 -4.866 650 1HB PHE 89 2HB PHE 89 17.098 6.621 -3.877 651 2HB PHE 89 1HB PHE 89 18.808 6.262 -3.642 652 HD1 PHE 89 1HD PHE 89 20.115 8.304 -2.448 653 HD2 PHE 89 2HD PHE 89 15.972 7.423 -2.046 654 HE1 PHE 89 1HE PHE 89 20.068 9.521 -0.309 655 HE2 PHE 89 2HE PHE 89 15.921 8.631 0.098 656 HZ PHE 89 HZ PHE 89 17.970 9.682 0.966 657 H GLY 90 H GLY 90 18.814 5.531 -5.564 658 1HA GLY 90 1HA GLY 90 18.445 5.944 -8.399 659 2HA GLY 90 2HA GLY 90 18.897 4.441 -7.613 660 H ASP 91 H ASP 91 16.058 6.400 -6.887 661 HA ASP 91 HA ASP 91 14.379 4.098 -7.489 662 1HB ASP 91 2HB ASP 91 12.599 5.605 -6.411 663 2HB ASP 91 1HB ASP 91 13.870 4.980 -5.365 664 H GLU 92 H GLU 92 12.740 6.991 -7.588 665 HA GLU 92 HA GLU 92 13.088 7.813 -10.243 666 1HB GLU 92 2HB GLU 92 10.497 7.127 -10.700 667 2HB GLU 92 1HB GLU 92 11.872 6.216 -11.301 668 1HG GLU 92 2HG GLU 92 11.002 4.442 -10.303 669 2HG GLU 92 1HG GLU 92 11.432 5.189 -8.765 670 H ASP 93 H ASP 93 10.259 7.360 -8.159 671 HA ASP 93 HA ASP 93 10.348 10.187 -7.439 672 1HB ASP 93 2HB ASP 93 8.767 9.875 -9.403 673 2HB ASP 93 1HB ASP 93 7.754 8.921 -8.323 674 H GLU 94 H GLU 94 9.076 6.968 -6.927 675 HA GLU 94 HA GLU 94 8.580 5.797 -5.073 676 1HB GLU 94 2HB GLU 94 10.283 6.457 -3.698 677 2HB GLU 94 1HB GLU 94 9.849 8.163 -3.786 678 1HG GLU 94 2HG GLU 94 7.758 7.410 -2.426 679 2HG GLU 94 1HG GLU 94 8.758 6.010 -2.035 680 H ARG 95 H ARG 95 6.544 5.397 -5.167 681 HA ARG 95 HA ARG 95 4.564 7.491 -4.838 682 1HB ARG 95 2HB ARG 95 4.753 5.285 -6.465 683 2HB ARG 95 1HB ARG 95 3.639 4.730 -5.223 684 1HG ARG 95 2HG ARG 95 2.374 6.918 -5.677 685 2HG ARG 95 1HG ARG 95 3.325 6.986 -7.163 686 1HD ARG 95 2HD ARG 95 2.452 4.877 -7.893 687 2HD ARG 95 1HD ARG 95 1.652 4.615 -6.343 688 HE ARG 95 HE ARG 95 0.252 6.593 -6.926 689 1HH1 ARG 95 2HH1 ARG 95 1.703 4.581 -9.407 690 2HH1 ARG 95 1HH1 ARG 95 0.635 5.142 -10.663 691 1HH2 ARG 95 2HH2 ARG 95 -1.139 7.340 -8.564 692 2HH2 ARG 95 1HH2 ARG 95 -1.013 6.682 -10.171 693 H LEU 96 H LEU 96 2.611 5.384 -4.003 694 HA LEU 96 HA LEU 96 3.394 4.527 -1.398 695 1HB LEU 96 2HB LEU 96 1.169 5.703 -0.510 696 2HB LEU 96 1HB LEU 96 2.750 6.444 -0.378 697 HG LEU 96 HG LEU 96 2.275 7.739 -2.450 698 1HD1 LEU 96 1HD1 LEU 96 0.427 5.932 -3.025 699 2HD1 LEU 96 2HD1 LEU 96 -0.609 7.110 -2.214 700 3HD1 LEU 96 3HD1 LEU 96 0.341 7.592 -3.622 701 1HD2 LEU 96 1HD2 LEU 96 0.186 8.113 -0.310 702 2HD2 LEU 96 2HD2 LEU 96 1.867 8.625 -0.160 703 3HD2 LEU 96 3HD2 LEU 96 0.836 9.339 -1.399 704 H ILE 97 H ILE 97 0.347 4.658 -0.816 705 HA ILE 97 HA ILE 97 -0.654 2.886 -2.853 706 HB ILE 97 HB ILE 97 -1.683 1.892 -0.384 707 1HG1 ILE 97 2HG1 ILE 97 1.191 1.124 -0.560 708 2HG1 ILE 97 1HG1 ILE 97 0.814 2.674 0.187 709 1HG2 ILE 97 1HG2 ILE 97 0.030 0.105 -1.926 710 2HG2 ILE 97 2HG2 ILE 97 -1.692 -0.006 -1.558 711 3HG2 ILE 97 3HG2 ILE 97 -1.141 0.985 -2.909 712 1HD1 ILE 97 1HD1 ILE 97 0.328 -0.065 1.145 713 2HD1 ILE 97 2HD1 ILE 97 0.703 1.407 2.041 714 3HD1 ILE 97 3HD1 ILE 97 -0.940 1.115 1.475 715 H THR 98 H THR 98 -2.768 3.310 -3.239 716 HA THR 98 HA THR 98 -3.784 5.635 -1.883 717 HB THR 98 HB THR 98 -4.054 4.398 -4.503 718 HG1 THR 98 1HG THR 98 -3.920 6.450 -5.069 719 1HG2 THR 98 1HG2 THR 98 -6.325 5.061 -4.966 720 2HG2 THR 98 2HG2 THR 98 -6.535 5.589 -3.295 721 3HG2 THR 98 3HG2 THR 98 -6.287 3.880 -3.656 722 H ARG 99 H ARG 99 -5.199 5.550 -0.305 723 HA ARG 99 HA ARG 99 -6.354 3.036 0.474 724 1HB ARG 99 2HB ARG 99 -5.805 5.594 1.697 725 2HB ARG 99 1HB ARG 99 -7.455 5.090 2.041 726 1HG ARG 99 2HG ARG 99 -4.965 3.488 2.571 727 2HG ARG 99 1HG ARG 99 -5.948 4.327 3.774 728 1HD ARG 99 2HD ARG 99 -7.817 2.822 2.500 729 2HD ARG 99 1HD ARG 99 -6.408 1.773 2.403 730 HE ARG 99 HE ARG 99 -6.957 1.200 4.527 731 1HH1 ARG 99 2HH1 ARG 99 -7.468 4.682 4.299 732 2HH1 ARG 99 1HH1 ARG 99 -7.991 4.823 5.948 733 1HH2 ARG 99 2HH2 ARG 99 -7.722 1.377 6.597 734 2HH2 ARG 99 1HH2 ARG 99 -8.149 2.935 7.259 735 H LEU 100 H LEU 100 -8.005 2.342 -0.713 736 HA LEU 100 HA LEU 100 -10.209 4.214 -1.256 737 1HB LEU 100 2HB LEU 100 -8.590 3.142 -3.159 738 2HB LEU 100 1HB LEU 100 -9.871 1.939 -3.091 739 HG LEU 100 HG LEU 100 -11.492 3.903 -3.383 740 1HD1 LEU 100 1HD1 LEU 100 -9.042 5.322 -3.269 741 2HD1 LEU 100 2HD1 LEU 100 -9.707 5.506 -4.892 742 3HD1 LEU 100 3HD1 LEU 100 -10.675 5.954 -3.488 743 1HD2 LEU 100 1HD2 LEU 100 -10.461 4.015 -5.931 744 2HD2 LEU 100 2HD2 LEU 100 -9.837 2.488 -5.310 745 3HD2 LEU 100 3HD2 LEU 100 -11.574 2.791 -5.315 746 H GLU 101 H GLU 101 -12.081 2.620 -2.209 747 HA GLU 101 HA GLU 101 -12.498 0.501 -0.212 748 1HB GLU 101 2HB GLU 101 -15.004 1.612 -0.687 749 2HB GLU 101 1HB GLU 101 -14.029 1.809 0.766 750 1HG GLU 101 2HG GLU 101 -13.384 3.907 0.221 751 2HG GLU 101 1HG GLU 101 -13.424 3.589 -1.510 752 H ASN 102 H ASN 102 -13.767 -1.229 -0.887 753 HA ASN 102 HA ASN 102 -13.957 -1.540 -3.767 754 1HB ASN 102 2HB ASN 102 -13.144 -3.499 -2.797 755 2HB ASN 102 1HB ASN 102 -14.243 -3.391 -1.422 756 1HD2 ASN 102 1HD2 ASN 102 -15.741 -4.878 -1.426 757 2HD2 ASN 102 2HD2 ASN 102 -16.486 -5.588 -2.827 758 H THR 103 H THR 103 -16.122 -1.633 -0.961 759 HA THR 103 HA THR 103 -18.449 -1.811 -2.636 760 HB THR 103 HB THR 103 -18.931 -1.163 0.175 761 HG1 THR 103 1HG THR 103 -17.832 -3.700 -0.073 762 1HG2 THR 103 1HG2 THR 103 -20.740 -2.275 -0.473 763 2HG2 THR 103 2HG2 THR 103 -19.770 -3.745 -0.384 764 3HG2 THR 103 3HG2 THR 103 -19.932 -2.884 -1.917 765 H GLN 104 H GLN 104 -18.556 0.310 0.124 766 HA GLN 104 HA GLN 104 -18.216 2.764 -1.222 767 1HB GLN 104 2HB GLN 104 -20.747 3.388 -0.755 768 2HB GLN 104 1HB GLN 104 -20.253 2.683 -2.286 769 1HG GLN 104 2HG GLN 104 -21.010 0.510 -1.588 770 2HG GLN 104 1HG GLN 104 -21.370 1.113 0.027 771 1HE2 GLN 104 1HE2 GLN 104 -22.102 3.365 -2.386 772 2HE2 GLN 104 2HE2 GLN 104 -23.812 3.060 -2.483 773 H PHE 105 H PHE 105 -16.929 3.073 0.605 774 HA PHE 105 HA PHE 105 -18.434 3.557 3.091 775 1HB PHE 105 2HB PHE 105 -16.768 1.417 2.781 776 2HB PHE 105 1HB PHE 105 -15.674 2.612 3.466 777 HD1 PHE 105 1HD PHE 105 -18.340 3.859 4.882 778 HD2 PHE 105 2HD PHE 105 -16.287 0.131 4.881 779 HE1 PHE 105 1HE PHE 105 -19.224 3.375 7.128 780 HE2 PHE 105 2HE PHE 105 -17.163 -0.359 7.128 781 HZ PHE 105 HZ PHE 105 -18.636 1.265 8.254 782 H ASP 106 H ASP 106 -18.318 5.733 2.110 783 HA ASP 106 HA ASP 106 -15.857 7.090 3.003 784 1HB ASP 106 2HB ASP 106 -16.361 7.061 0.447 785 2HB ASP 106 1HB ASP 106 -17.613 8.225 0.847 786 H ALA 107 H ALA 107 -19.185 7.647 2.048 787 HA ALA 107 HA ALA 107 -20.910 8.812 2.956 788 1HB ALA 107 1HB ALA 107 -20.074 7.570 5.088 789 2HB ALA 107 2HB ALA 107 -19.494 9.169 5.559 790 3HB ALA 107 3HB ALA 107 -21.211 8.911 5.237 791 H ALA 108 H ALA 108 -18.659 10.003 1.615 792 HA ALA 108 HA ALA 108 -17.922 12.039 0.943 793 1HB ALA 108 1HB ALA 108 -19.396 13.795 1.009 794 2HB ALA 108 2HB ALA 108 -20.472 12.422 1.275 795 3HB ALA 108 3HB ALA 108 -19.945 13.406 2.639 796 H ASN 109 H ASN 109 -17.032 10.843 3.521 797 HA ASN 109 HA ASN 109 -16.084 13.287 4.861 798 1HB ASN 109 2HB ASN 109 -17.431 11.232 6.005 799 2HB ASN 109 1HB ASN 109 -15.769 10.707 6.264 800 1HD2 ASN 109 1HD2 ASN 109 -17.842 11.631 8.146 801 2HD2 ASN 109 2HD2 ASN 109 -17.110 12.947 9.018 802 H GLY 110 H GLY 110 -15.101 10.913 2.775 803 1HA GLY 110 1HA GLY 110 -12.301 11.132 3.705 804 2HA GLY 110 2HA GLY 110 -12.929 9.752 2.811 805 H ILE 111 H ILE 111 -13.742 10.193 0.620 806 HA ILE 111 HA ILE 111 -12.322 12.435 -0.660 807 HB ILE 111 HB ILE 111 -12.732 9.801 -2.045 808 1HG1 ILE 111 2HG1 ILE 111 -9.991 10.159 -1.309 809 2HG1 ILE 111 1HG1 ILE 111 -10.974 10.273 0.147 810 1HG2 ILE 111 1HG2 ILE 111 -10.416 11.399 -2.750 811 2HG2 ILE 111 2HG2 ILE 111 -11.714 10.774 -3.772 812 3HG2 ILE 111 3HG2 ILE 111 -11.924 12.300 -2.913 813 1HD1 ILE 111 1HD1 ILE 111 -10.339 8.011 -0.092 814 2HD1 ILE 111 2HD1 ILE 111 -12.044 8.109 -0.536 815 3HD1 ILE 111 3HD1 ILE 111 -10.813 7.990 -1.792 816 H ASP 112 H ASP 112 -14.725 9.949 -1.362 817 HA ASP 112 HA ASP 112 -16.830 11.797 -1.754 818 1HB ASP 112 2HB ASP 112 -15.290 11.766 -3.964 819 2HB ASP 112 1HB ASP 112 -16.326 10.389 -4.322 820 H ASP 113 H ASP 113 -18.780 10.754 -1.656 821 HA ASP 113 HA ASP 113 -18.716 8.035 -0.802 822 1HB ASP 113 2HB ASP 113 -20.390 10.072 -0.277 823 2HB ASP 113 1HB ASP 113 -21.317 9.259 -1.534 824 H GLU 114 H GLU 114 -18.688 6.309 -2.036 825 HA GLU 114 HA GLU 114 -19.415 6.508 -4.847 826 1HB GLU 114 2HB GLU 114 -17.276 5.399 -3.929 827 2HB GLU 114 1HB GLU 114 -18.324 4.067 -3.462 828 1HG GLU 114 2HG GLU 114 -17.413 3.452 -5.525 829 2HG GLU 114 1HG GLU 114 -19.056 3.976 -5.883 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -23.060 -4.637 -11.459 2 2H GLY 1 2H GLY 1 -23.062 -5.732 -10.166 3 3H GLY 1 3H GLY 1 -22.347 -6.169 -11.639 4 1HA GLY 1 2HA GLY 1 -20.677 -4.432 -11.353 5 2HA GLY 1 1HA GLY 1 -21.402 -4.042 -9.801 6 H SER 2 H SER 2 -18.687 -4.983 -10.434 7 HA SER 2 HA SER 2 -18.713 -7.480 -8.877 8 1HB SER 2 2HB SER 2 -16.268 -7.501 -10.082 9 2HB SER 2 1HB SER 2 -17.695 -8.311 -10.723 10 HG SER 2 HG SER 2 -17.611 -7.018 -12.356 11 H LEU 3 H LEU 3 -16.950 -7.801 -7.414 12 HA LEU 3 HA LEU 3 -16.094 -5.337 -6.144 13 1HB LEU 3 2HB LEU 3 -15.863 -8.249 -5.435 14 2HB LEU 3 1HB LEU 3 -14.965 -7.026 -4.558 15 HG LEU 3 HG LEU 3 -17.800 -6.385 -4.759 16 1HD1 LEU 3 1HD1 LEU 3 -17.640 -8.428 -2.773 17 2HD1 LEU 3 2HD1 LEU 3 -18.752 -8.285 -4.136 18 3HD1 LEU 3 3HD1 LEU 3 -17.203 -9.105 -4.343 19 1HD2 LEU 3 1HD2 LEU 3 -17.370 -6.386 -2.195 20 2HD2 LEU 3 2HD2 LEU 3 -15.677 -6.538 -2.662 21 3HD2 LEU 3 3HD2 LEU 3 -16.620 -5.149 -3.204 22 H LEU 4 H LEU 4 -13.633 -5.880 -5.169 23 HA LEU 4 HA LEU 4 -12.018 -5.835 -7.606 24 1HB LEU 4 2HB LEU 4 -10.961 -5.171 -4.888 25 2HB LEU 4 1HB LEU 4 -10.447 -4.567 -6.457 26 HG LEU 4 HG LEU 4 -13.181 -3.798 -5.872 27 1HD1 LEU 4 1HD1 LEU 4 -11.686 -2.113 -4.162 28 2HD1 LEU 4 2HD1 LEU 4 -13.048 -3.159 -3.757 29 3HD1 LEU 4 3HD1 LEU 4 -11.400 -3.781 -3.662 30 1HD2 LEU 4 1HD2 LEU 4 -11.047 -2.891 -7.347 31 2HD2 LEU 4 2HD2 LEU 4 -12.548 -2.012 -7.054 32 3HD2 LEU 4 3HD2 LEU 4 -11.141 -1.724 -6.027 33 H THR 5 H THR 5 -9.794 -6.787 -7.425 34 HA THR 5 HA THR 5 -9.711 -9.143 -5.677 35 HB THR 5 HB THR 5 -8.500 -10.239 -7.774 36 HG1 THR 5 1HG THR 5 -10.340 -8.355 -8.890 37 1HG2 THR 5 1HG2 THR 5 -10.438 -11.142 -6.536 38 2HG2 THR 5 2HG2 THR 5 -10.559 -11.416 -8.275 39 3HG2 THR 5 3HG2 THR 5 -11.506 -10.136 -7.516 40 H CYS 6 H CYS 6 -7.820 -9.348 -4.662 41 HA CYS 6 HA CYS 6 -5.749 -7.443 -5.129 42 1HB CYS 6 2HB CYS 6 -5.527 -7.815 -2.936 43 2HB CYS 6 1HB CYS 6 -6.557 -9.237 -3.029 44 H GLY 7 H GLY 7 -3.631 -7.840 -5.762 45 1HA GLY 7 1HA GLY 7 -3.418 -9.667 -7.919 46 2HA GLY 7 2HA GLY 7 -2.140 -8.628 -7.315 47 H GLY 8 H GLY 8 -2.705 -9.994 -4.587 48 1HA GLY 8 1HA GLY 8 -0.755 -12.122 -5.046 49 2HA GLY 8 2HA GLY 8 -1.223 -11.462 -3.487 50 H CYS 9 H CYS 9 -4.003 -11.689 -3.720 51 HA CYS 9 HA CYS 9 -4.248 -14.561 -3.292 52 1HB CYS 9 2HB CYS 9 -6.234 -12.340 -2.792 53 2HB CYS 9 1HB CYS 9 -6.402 -14.012 -2.273 54 H GLN 10 H GLN 10 -6.067 -12.025 -4.946 55 HA GLN 10 HA GLN 10 -7.526 -12.021 -6.683 56 1HB GLN 10 2HB GLN 10 -5.684 -13.981 -7.471 57 2HB GLN 10 1HB GLN 10 -7.267 -14.719 -7.685 58 1HG GLN 10 2HG GLN 10 -7.460 -13.639 -9.604 59 2HG GLN 10 1HG GLN 10 -7.487 -12.122 -8.705 60 1HE2 GLN 10 1HE2 GLN 10 -5.003 -11.769 -7.841 61 2HE2 GLN 10 2HE2 GLN 10 -3.871 -11.716 -9.155 62 H GLN 11 H GLN 11 -7.792 -13.431 -3.958 63 HA GLN 11 HA GLN 11 -10.029 -15.217 -4.363 64 1HB GLN 11 2HB GLN 11 -9.963 -15.547 -1.978 65 2HB GLN 11 1HB GLN 11 -8.315 -15.588 -2.584 66 1HG GLN 11 2HG GLN 11 -7.922 -13.345 -1.798 67 2HG GLN 11 1HG GLN 11 -9.605 -13.189 -1.303 68 1HE2 GLN 11 1HE2 GLN 11 -6.672 -13.501 -0.083 69 2HE2 GLN 11 2HE2 GLN 11 -7.008 -14.430 1.342 70 H ASN 12 H ASN 12 -9.923 -12.152 -4.832 71 HA ASN 12 HA ASN 12 -11.457 -10.487 -4.942 72 1HB ASN 12 2HB ASN 12 -13.203 -12.163 -5.227 73 2HB ASN 12 1HB ASN 12 -13.272 -12.418 -3.489 74 1HD2 ASN 12 1HD2 ASN 12 -14.385 -11.012 -2.212 75 2HD2 ASN 12 2HD2 ASN 12 -15.340 -9.709 -2.846 76 H ILE 13 H ILE 13 -11.477 -8.668 -3.809 77 HA ILE 13 HA ILE 13 -10.713 -8.765 -1.005 78 HB ILE 13 HB ILE 13 -11.198 -6.307 -2.666 79 1HG1 ILE 13 2HG1 ILE 13 -8.457 -7.403 -2.224 80 2HG1 ILE 13 1HG1 ILE 13 -9.450 -8.112 -3.490 81 1HG2 ILE 13 1HG2 ILE 13 -10.819 -5.298 -0.721 82 2HG2 ILE 13 2HG2 ILE 13 -10.346 -6.814 0.044 83 3HG2 ILE 13 3HG2 ILE 13 -9.155 -5.866 -0.844 84 1HD1 ILE 13 1HD1 ILE 13 -9.335 -6.271 -4.807 85 2HD1 ILE 13 2HD1 ILE 13 -9.221 -5.165 -3.434 86 3HD1 ILE 13 3HD1 ILE 13 -7.806 -6.092 -3.937 87 H GLY 14 H GLY 14 -12.285 -9.039 0.425 88 1HA GLY 14 1HA GLY 14 -14.887 -7.723 -0.075 89 2HA GLY 14 2HA GLY 14 -14.678 -9.208 0.849 90 H ASP 15 H ASP 15 -12.258 -6.950 1.411 91 HA ASP 15 HA ASP 15 -12.981 -6.623 4.140 92 1HB ASP 15 2HB ASP 15 -10.842 -5.312 2.451 93 2HB ASP 15 1HB ASP 15 -11.037 -5.002 4.173 94 H ARG 16 H ARG 16 -12.556 -4.122 4.934 95 HA ARG 16 HA ARG 16 -14.808 -2.658 3.757 96 1HB ARG 16 2HB ARG 16 -14.227 -1.155 5.875 97 2HB ARG 16 1HB ARG 16 -15.224 -2.597 5.999 98 1HG ARG 16 2HG ARG 16 -13.820 -3.462 7.466 99 2HG ARG 16 1HG ARG 16 -12.505 -3.369 6.293 100 1HD ARG 16 2HD ARG 16 -12.955 -0.753 7.274 101 2HD ARG 16 1HD ARG 16 -12.905 -1.835 8.666 102 HE ARG 16 HE ARG 16 -10.764 -1.809 6.639 103 1HH1 ARG 16 2HH1 ARG 16 -11.810 -1.755 9.987 104 2HH1 ARG 16 1HH1 ARG 16 -10.187 -1.754 10.612 105 1HH2 ARG 16 2HH2 ARG 16 -8.642 -1.812 7.467 106 2HH2 ARG 16 1HH2 ARG 16 -8.401 -1.760 9.197 107 H TYR 17 H TYR 17 -11.378 -2.512 4.268 108 HA TYR 17 HA TYR 17 -11.247 -0.134 2.540 109 1HB TYR 17 2HB TYR 17 -10.695 0.006 5.246 110 2HB TYR 17 1HB TYR 17 -9.110 -0.319 4.564 111 HD1 TYR 17 1HD TYR 17 -7.814 1.545 4.218 112 HD2 TYR 17 2HD TYR 17 -12.030 1.881 3.752 113 HE1 TYR 17 1HE TYR 17 -7.564 3.937 3.712 114 HE2 TYR 17 2HE TYR 17 -11.787 4.271 3.231 115 HH TYR 17 HH TYR 17 -10.138 6.100 3.718 116 H PHE 18 H PHE 18 -9.074 -0.053 1.405 117 HA PHE 18 HA PHE 18 -7.448 -2.412 1.594 118 1HB PHE 18 2HB PHE 18 -7.898 -3.437 -0.466 119 2HB PHE 18 1HB PHE 18 -9.482 -3.087 0.204 120 HD1 PHE 18 1HD PHE 18 -7.762 -3.181 -2.714 121 HD2 PHE 18 2HD PHE 18 -10.234 -0.508 -0.510 122 HE1 PHE 18 1HE PHE 18 -8.375 -2.031 -4.800 123 HE2 PHE 18 2HE PHE 18 -10.855 0.639 -2.590 124 HZ PHE 18 HZ PHE 18 -9.926 -0.120 -4.737 125 H LEU 19 H LEU 19 -5.924 -2.472 -0.406 126 HA LEU 19 HA LEU 19 -4.941 0.266 -0.834 127 1HB LEU 19 2HB LEU 19 -3.555 -2.294 -0.161 128 2HB LEU 19 1HB LEU 19 -2.709 -1.094 -1.113 129 HG LEU 19 HG LEU 19 -3.970 -0.213 1.434 130 1HD1 LEU 19 1HD1 LEU 19 -1.964 -2.301 1.241 131 2HD1 LEU 19 2HD1 LEU 19 -1.403 -0.905 2.163 132 3HD1 LEU 19 3HD1 LEU 19 -2.885 -1.737 2.635 133 1HD2 LEU 19 1HD2 LEU 19 -2.725 1.222 -0.305 134 2HD2 LEU 19 2HD2 LEU 19 -2.306 1.420 1.399 135 3HD2 LEU 19 3HD2 LEU 19 -1.262 0.471 0.338 136 H LYS 20 H LYS 20 -4.405 0.819 -2.906 137 HA LYS 20 HA LYS 20 -3.876 -1.131 -4.905 138 1HB LYS 20 2HB LYS 20 -5.936 -1.490 -5.711 139 2HB LYS 20 1HB LYS 20 -6.632 -0.335 -4.589 140 1HG LYS 20 2HG LYS 20 -5.309 0.871 -6.913 141 2HG LYS 20 1HG LYS 20 -6.705 -0.123 -7.296 142 1HD LYS 20 2HD LYS 20 -6.996 1.787 -5.056 143 2HD LYS 20 1HD LYS 20 -6.909 2.463 -6.685 144 1HE LYS 20 2HE LYS 20 -8.696 0.143 -6.337 145 2HE LYS 20 1HE LYS 20 -9.195 1.627 -5.527 146 1HZ LYS 20 1HZ LYS 20 -9.455 2.730 -7.500 147 2HZ LYS 20 2HZ LYS 20 -9.920 1.165 -7.961 148 3HZ LYS 20 3HZ LYS 20 -8.370 1.737 -8.349 149 H ALA 21 H ALA 21 -2.936 -0.157 -6.749 150 HA ALA 21 HA ALA 21 -3.229 2.368 -7.690 151 1HB ALA 21 1HB ALA 21 -2.051 2.680 -5.204 152 2HB ALA 21 2HB ALA 21 -0.710 2.850 -6.340 153 3HB ALA 21 3HB ALA 21 -2.131 3.886 -6.490 154 H ILE 22 H ILE 22 -0.626 0.169 -6.765 155 HA ILE 22 HA ILE 22 1.361 0.695 -8.454 156 HB ILE 22 HB ILE 22 0.480 -2.169 -8.280 157 1HG1 ILE 22 2HG1 ILE 22 1.399 -0.369 -6.067 158 2HG1 ILE 22 1HG1 ILE 22 0.128 -1.580 -6.054 159 1HG2 ILE 22 1HG2 ILE 22 2.551 -2.622 -8.926 160 2HG2 ILE 22 2HG2 ILE 22 2.746 -0.898 -9.256 161 3HG2 ILE 22 3HG2 ILE 22 3.245 -1.560 -7.698 162 1HD1 ILE 22 1HD1 ILE 22 1.981 -3.302 -6.272 163 2HD1 ILE 22 2HD1 ILE 22 3.091 -1.987 -5.872 164 3HD1 ILE 22 3HD1 ILE 22 1.833 -2.462 -4.727 165 H ASP 23 H ASP 23 -1.356 -1.363 -9.369 166 HA ASP 23 HA ASP 23 -1.576 -0.418 -11.991 167 1HB ASP 23 2HB ASP 23 0.636 -1.855 -11.987 168 2HB ASP 23 1HB ASP 23 -0.485 -3.211 -12.023 169 H GLN 24 H GLN 24 -2.225 -2.527 -9.461 170 HA GLN 24 HA GLN 24 -4.836 -3.193 -10.551 171 1HB GLN 24 2HB GLN 24 -4.562 -5.550 -9.718 172 2HB GLN 24 1HB GLN 24 -3.571 -5.153 -11.115 173 1HG GLN 24 2HG GLN 24 -2.332 -4.768 -8.463 174 2HG GLN 24 1HG GLN 24 -2.636 -6.429 -8.969 175 1HE2 GLN 24 1HE2 GLN 24 -0.265 -4.341 -8.786 176 2HE2 GLN 24 2HE2 GLN 24 0.646 -4.705 -10.220 177 H TYR 25 H TYR 25 -5.827 -4.707 -8.565 178 HA TYR 25 HA TYR 25 -5.756 -2.859 -6.296 179 1HB TYR 25 2HB TYR 25 -7.678 -5.156 -6.618 180 2HB TYR 25 1HB TYR 25 -7.873 -3.684 -5.667 181 HD1 TYR 25 1HD TYR 25 -9.454 -5.157 -8.104 182 HD2 TYR 25 2HD TYR 25 -7.157 -1.615 -7.618 183 HE1 TYR 25 1HE TYR 25 -10.656 -4.118 -9.993 184 HE2 TYR 25 2HE TYR 25 -8.347 -0.564 -9.493 185 HH TYR 25 HH TYR 25 -10.996 -2.238 -11.165 186 H TRP 26 H TRP 26 -5.597 -3.642 -4.141 187 HA TRP 26 HA TRP 26 -4.348 -6.285 -3.890 188 1HB TRP 26 2HB TRP 26 -3.330 -3.737 -2.616 189 2HB TRP 26 1HB TRP 26 -2.653 -5.344 -2.391 190 HD1 TRP 26 HD TRP 26 -2.668 -2.413 -4.794 191 HE1 TRP 26 1HE TRP 26 -0.884 -2.817 -6.605 192 HE3 TRP 26 3HE TRP 26 -1.515 -7.270 -3.704 193 HZ2 TRP 26 2HZ TRP 26 0.782 -4.947 -7.469 194 HZ3 TRP 26 3HZ TRP 26 0.173 -8.423 -5.071 195 HH2 TRP 26 HH TRP 26 1.300 -7.281 -6.914 196 H HIS 27 H HIS 27 -3.720 -6.108 -1.241 197 HA HIS 27 HA HIS 27 -6.344 -5.861 0.081 198 1HB HIS 27 2HB HIS 27 -4.324 -8.016 0.110 199 2HB HIS 27 1HB HIS 27 -4.942 -7.563 1.691 200 HD2 HIS 27 2HD HIS 27 -8.054 -7.324 1.208 201 HE1 HIS 27 1HE HIS 27 -7.730 -11.134 -0.619 202 HE2 HIS 27 2HE HIS 27 -9.266 -9.552 0.654 203 H GLU 28 H GLU 28 -6.270 -5.226 2.312 204 HA GLU 28 HA GLU 28 -4.472 -3.147 2.957 205 1HB GLU 28 2HB GLU 28 -6.709 -4.564 4.207 206 2HB GLU 28 1HB GLU 28 -5.495 -4.048 5.362 207 1HG GLU 28 2HG GLU 28 -5.705 -1.759 4.139 208 2HG GLU 28 1HG GLU 28 -7.256 -2.411 3.609 209 H ASP 29 H ASP 29 -4.539 -6.582 3.637 210 HA ASP 29 HA ASP 29 -2.129 -6.364 5.293 211 1HB ASP 29 2HB ASP 29 -4.273 -7.649 5.983 212 2HB ASP 29 1HB ASP 29 -3.719 -8.882 4.860 213 H CYS 30 H CYS 30 -2.732 -6.683 2.153 214 HA CYS 30 HA CYS 30 -0.713 -8.756 1.715 215 1HB CYS 30 2HB CYS 30 -2.995 -7.755 0.090 216 2HB CYS 30 1HB CYS 30 -1.587 -8.401 -0.751 217 H LEU 31 H LEU 31 -1.577 -5.504 0.556 218 HA LEU 31 HA LEU 31 0.961 -5.124 -0.715 219 1HB LEU 31 2HB LEU 31 -1.478 -3.770 -0.682 220 2HB LEU 31 1HB LEU 31 -0.352 -2.664 0.082 221 HG LEU 31 HG LEU 31 -0.269 -3.778 -2.710 222 1HD1 LEU 31 1HD1 LEU 31 -0.158 -1.433 -3.317 223 2HD1 LEU 31 2HD1 LEU 31 -1.566 -1.745 -2.304 224 3HD1 LEU 31 3HD1 LEU 31 -0.137 -0.975 -1.614 225 1HD2 LEU 31 1HD2 LEU 31 1.941 -3.556 -2.886 226 2HD2 LEU 31 2HD2 LEU 31 1.937 -2.022 -2.017 227 3HD2 LEU 31 3HD2 LEU 31 1.981 -3.543 -1.124 228 H SER 32 H SER 32 2.649 -5.420 0.627 229 HA SER 32 HA SER 32 2.924 -3.517 2.837 230 1HB SER 32 2HB SER 32 4.018 -6.070 3.614 231 2HB SER 32 1HB SER 32 2.825 -5.076 4.448 232 HG SER 32 HG SER 32 1.784 -6.341 2.267 233 H CYS 33 H CYS 33 5.282 -4.234 3.862 234 HA CYS 33 HA CYS 33 7.166 -3.709 1.778 235 1HB CYS 33 2HB CYS 33 8.397 -2.982 3.501 236 2HB CYS 33 1HB CYS 33 7.034 -3.347 4.539 237 H ASP 34 H ASP 34 7.530 -5.263 0.388 238 HA ASP 34 HA ASP 34 6.876 -7.940 0.930 239 1HB ASP 34 2HB ASP 34 7.073 -6.447 -1.319 240 2HB ASP 34 1HB ASP 34 8.520 -7.436 -1.464 241 H LEU 35 H LEU 35 9.918 -6.282 0.884 242 HA LEU 35 HA LEU 35 11.598 -8.505 0.532 243 1HB LEU 35 2HB LEU 35 12.447 -6.303 0.183 244 2HB LEU 35 1HB LEU 35 12.063 -5.827 1.823 245 HG LEU 35 HG LEU 35 13.760 -7.635 2.532 246 1HD1 LEU 35 1HD1 LEU 35 15.602 -7.719 0.695 247 2HD1 LEU 35 2HD1 LEU 35 14.248 -8.848 0.635 248 3HD1 LEU 35 3HD1 LEU 35 14.255 -7.425 -0.405 249 1HD2 LEU 35 1HD2 LEU 35 15.263 -5.976 2.840 250 2HD2 LEU 35 2HD2 LEU 35 15.202 -5.459 1.155 251 3HD2 LEU 35 3HD2 LEU 35 13.929 -4.971 2.272 252 H CYS 36 H CYS 36 10.407 -6.966 3.481 253 HA CYS 36 HA CYS 36 11.616 -9.127 5.036 254 1HB CYS 36 2HB CYS 36 10.604 -6.712 6.408 255 2HB CYS 36 1HB CYS 36 12.076 -7.640 6.686 256 H GLY 37 H GLY 37 8.686 -7.122 4.867 257 1HA GLY 37 1HA GLY 37 6.613 -8.477 4.721 258 2HA GLY 37 2HA GLY 37 7.248 -9.412 6.067 259 H CYS 38 H CYS 38 7.418 -5.881 5.859 260 HA CYS 38 HA CYS 38 5.819 -5.749 8.294 261 1HB CYS 38 2HB CYS 38 7.071 -3.376 6.948 262 2HB CYS 38 1HB CYS 38 6.751 -3.640 8.657 263 HG CYS 38 HG CYS 38 9.279 -4.879 6.755 264 H ARG 39 H ARG 39 5.648 -2.902 6.457 265 HA ARG 39 HA ARG 39 3.571 -3.393 4.682 266 1HB ARG 39 2HB ARG 39 2.461 -3.790 7.042 267 2HB ARG 39 1HB ARG 39 2.413 -2.034 7.090 268 1HG ARG 39 2HG ARG 39 0.458 -2.213 6.040 269 2HG ARG 39 1HG ARG 39 1.398 -2.607 4.601 270 1HD ARG 39 2HD ARG 39 -0.485 -4.192 5.203 271 2HD ARG 39 1HD ARG 39 1.094 -4.915 4.903 272 HE ARG 39 HE ARG 39 1.330 -5.304 7.233 273 1HH1 ARG 39 2HH1 ARG 39 -1.825 -4.111 6.289 274 2HH1 ARG 39 1HH1 ARG 39 -2.580 -4.541 7.792 275 1HH2 ARG 39 2HH2 ARG 39 0.333 -5.906 9.197 276 2HH2 ARG 39 1HH2 ARG 39 -1.356 -5.578 9.446 277 H LEU 40 H LEU 40 2.428 -1.293 4.078 278 HA LEU 40 HA LEU 40 3.977 1.093 4.759 279 1HB LEU 40 2HB LEU 40 3.172 1.027 1.949 280 2HB LEU 40 1HB LEU 40 4.687 1.535 2.665 281 HG LEU 40 HG LEU 40 4.281 -1.375 2.655 282 1HD1 LEU 40 1HD1 LEU 40 4.924 -1.499 0.220 283 2HD1 LEU 40 2HD1 LEU 40 3.255 -1.041 0.554 284 3HD1 LEU 40 3HD1 LEU 40 4.430 0.190 0.092 285 1HD2 LEU 40 1HD2 LEU 40 6.390 0.470 2.817 286 2HD2 LEU 40 2HD2 LEU 40 6.485 -1.291 2.839 287 3HD2 LEU 40 3HD2 LEU 40 6.623 -0.419 1.311 288 H GLY 41 H GLY 41 2.744 3.021 4.629 289 1HA GLY 41 1HA GLY 41 -0.117 2.633 4.016 290 2HA GLY 41 2HA GLY 41 0.364 3.196 5.612 291 H GLU 42 H GLU 42 2.541 4.524 3.542 292 HA GLU 42 HA GLU 42 1.180 7.081 3.650 293 1HB GLU 42 2HB GLU 42 3.856 6.674 2.364 294 2HB GLU 42 1HB GLU 42 3.247 8.075 3.232 295 1HG GLU 42 2HG GLU 42 4.644 7.302 4.820 296 2HG GLU 42 1HG GLU 42 3.239 6.321 5.238 297 H VAL 43 H VAL 43 1.500 8.528 1.614 298 HA VAL 43 HA VAL 43 0.746 6.990 -0.790 299 HB VAL 43 HB VAL 43 -0.655 9.473 0.231 300 1HG1 VAL 43 1HG1 VAL 43 -2.239 8.254 -1.689 301 2HG1 VAL 43 2HG1 VAL 43 -1.292 9.729 -1.886 302 3HG1 VAL 43 3HG1 VAL 43 -0.608 8.170 -2.354 303 1HG2 VAL 43 1HG2 VAL 43 -2.586 8.021 0.618 304 2HG2 VAL 43 2HG2 VAL 43 -1.630 6.619 0.137 305 3HG2 VAL 43 3HG2 VAL 43 -1.201 7.522 1.590 306 H GLY 44 H GLY 44 1.514 7.795 -2.746 307 1HA GLY 44 1HA GLY 44 2.056 10.526 -3.119 308 2HA GLY 44 2HA GLY 44 3.576 9.717 -2.805 309 H ARG 45 H ARG 45 1.572 7.558 -4.443 310 HA ARG 45 HA ARG 45 1.426 8.482 -7.034 311 1HB ARG 45 2HB ARG 45 4.032 8.379 -6.628 312 2HB ARG 45 1HB ARG 45 3.803 6.671 -6.961 313 1HG ARG 45 2HG ARG 45 3.036 7.089 -9.146 314 2HG ARG 45 1HG ARG 45 2.813 8.809 -8.821 315 1HD ARG 45 2HD ARG 45 5.347 7.274 -9.253 316 2HD ARG 45 1HD ARG 45 4.789 8.749 -10.046 317 HE ARG 45 HE ARG 45 5.088 9.514 -7.462 318 1HH1 ARG 45 2HH1 ARG 45 7.239 7.999 -9.788 319 2HH1 ARG 45 1HH1 ARG 45 8.680 8.605 -9.028 320 1HH2 ARG 45 2HH2 ARG 45 6.988 10.324 -6.487 321 2HH2 ARG 45 1HH2 ARG 45 8.545 9.904 -7.152 322 H ARG 46 H ARG 46 2.970 5.362 -6.316 323 HA ARG 46 HA ARG 46 0.472 3.993 -6.074 324 1HB ARG 46 2HB ARG 46 0.598 2.732 -8.168 325 2HB ARG 46 1HB ARG 46 0.464 4.460 -8.461 326 1HG ARG 46 2HG ARG 46 2.806 4.618 -8.989 327 2HG ARG 46 1HG ARG 46 3.057 2.930 -8.539 328 1HD ARG 46 2HD ARG 46 2.949 3.028 -10.916 329 2HD ARG 46 1HD ARG 46 1.450 2.292 -10.348 330 HE ARG 46 HE ARG 46 1.595 5.155 -11.057 331 1HH1 ARG 46 2HH1 ARG 46 0.194 1.972 -11.482 332 2HH1 ARG 46 1HH1 ARG 46 -1.177 2.550 -12.383 333 1HH2 ARG 46 2HH2 ARG 46 -0.184 5.919 -12.262 334 2HH2 ARG 46 1HH2 ARG 46 -1.369 4.798 -12.866 335 H LEU 47 H LEU 47 3.738 4.105 -5.663 336 HA LEU 47 HA LEU 47 4.195 2.385 -3.817 337 1HB LEU 47 2HB LEU 47 3.214 0.531 -5.305 338 2HB LEU 47 1HB LEU 47 4.716 0.621 -6.208 339 HG LEU 47 HG LEU 47 5.857 0.260 -3.899 340 1HD1 LEU 47 1HD1 LEU 47 3.617 -1.377 -3.061 341 2HD1 LEU 47 2HD1 LEU 47 4.631 -0.276 -2.131 342 3HD1 LEU 47 3HD1 LEU 47 3.251 0.348 -3.035 343 1HD2 LEU 47 1HD2 LEU 47 4.677 -2.292 -4.420 344 2HD2 LEU 47 2HD2 LEU 47 5.008 -1.466 -5.943 345 3HD2 LEU 47 3HD2 LEU 47 6.308 -1.721 -4.780 346 H TYR 48 H TYR 48 6.435 2.277 -3.285 347 HA TYR 48 HA TYR 48 8.151 3.248 -5.449 348 1HB TYR 48 2HB TYR 48 9.835 3.787 -3.585 349 2HB TYR 48 1HB TYR 48 8.474 4.869 -3.819 350 HD1 TYR 48 1HD TYR 48 7.989 1.674 -2.129 351 HD2 TYR 48 2HD TYR 48 8.778 5.814 -1.604 352 HE1 TYR 48 1HE TYR 48 7.505 1.451 0.280 353 HE2 TYR 48 2HE TYR 48 8.305 5.609 0.801 354 HH TYR 48 HH TYR 48 6.897 4.005 2.283 355 H TYR 49 H TYR 49 8.509 1.309 -6.419 356 HA TYR 49 HA TYR 49 9.822 -0.741 -4.774 357 1HB TYR 49 2HB TYR 49 9.156 -2.331 -6.607 358 2HB TYR 49 1HB TYR 49 7.822 -1.639 -5.691 359 HD1 TYR 49 1HD TYR 49 6.094 -0.476 -6.785 360 HD2 TYR 49 2HD TYR 49 9.662 -1.391 -8.892 361 HE1 TYR 49 1HE TYR 49 5.021 0.227 -8.891 362 HE2 TYR 49 2HE TYR 49 8.614 -0.690 -11.002 363 HH TYR 49 HH TYR 49 6.404 -0.438 -11.959 364 H LYS 50 H LYS 50 11.320 -2.189 -6.147 365 HA LYS 50 HA LYS 50 13.360 -0.466 -7.247 366 1HB LYS 50 2HB LYS 50 13.670 -2.599 -5.795 367 2HB LYS 50 1HB LYS 50 13.445 -3.468 -7.302 368 1HG LYS 50 2HG LYS 50 15.604 -3.217 -7.709 369 2HG LYS 50 1HG LYS 50 15.340 -1.479 -7.844 370 1HD LYS 50 2HD LYS 50 15.441 -1.698 -5.178 371 2HD LYS 50 1HD LYS 50 16.464 -3.066 -5.614 372 1HE LYS 50 2HE LYS 50 17.204 -0.876 -7.251 373 2HE LYS 50 1HE LYS 50 17.113 -0.297 -5.589 374 1HZ LYS 50 1HZ LYS 50 18.868 -2.349 -6.750 375 2HZ LYS 50 2HZ LYS 50 18.468 -2.443 -5.104 376 3HZ LYS 50 3HZ LYS 50 19.256 -1.067 -5.710 377 H LEU 51 H LEU 51 14.348 -0.894 -9.318 378 HA LEU 51 HA LEU 51 13.002 -0.269 -11.434 379 1HB LEU 51 2HB LEU 51 14.702 -0.994 -12.819 380 2HB LEU 51 1HB LEU 51 15.473 -0.857 -11.253 381 HG LEU 51 HG LEU 51 14.446 -3.491 -12.278 382 1HD1 LEU 51 1HD1 LEU 51 16.262 -3.862 -13.549 383 2HD1 LEU 51 2HD1 LEU 51 16.290 -2.101 -13.663 384 3HD1 LEU 51 3HD1 LEU 51 17.323 -2.924 -12.496 385 1HD2 LEU 51 1HD2 LEU 51 16.223 -2.563 -10.071 386 2HD2 LEU 51 2HD2 LEU 51 14.904 -3.736 -10.041 387 3HD2 LEU 51 3HD2 LEU 51 16.454 -4.170 -10.766 388 H GLY 52 H GLY 52 13.157 -3.728 -10.557 389 1HA GLY 52 1HA GLY 52 10.781 -4.114 -12.248 390 2HA GLY 52 2HA GLY 52 12.175 -5.157 -12.459 391 H ARG 53 H ARG 53 11.435 -4.144 -9.225 392 HA ARG 53 HA ARG 53 9.720 -6.411 -8.748 393 1HB ARG 53 2HB ARG 53 11.106 -7.482 -7.063 394 2HB ARG 53 1HB ARG 53 11.915 -7.479 -8.620 395 1HG ARG 53 2HG ARG 53 13.430 -5.801 -7.936 396 2HG ARG 53 1HG ARG 53 12.489 -5.446 -6.486 397 1HD ARG 53 2HD ARG 53 13.327 -7.206 -5.347 398 2HD ARG 53 1HD ARG 53 13.389 -8.236 -6.778 399 HE ARG 53 HE ARG 53 15.432 -6.308 -5.923 400 1HH1 ARG 53 2HH1 ARG 53 14.391 -8.893 -8.051 401 2HH1 ARG 53 1HH1 ARG 53 15.975 -9.152 -8.720 402 1HH2 ARG 53 2HH2 ARG 53 17.524 -6.662 -6.787 403 2HH2 ARG 53 1HH2 ARG 53 17.763 -7.900 -7.987 404 H LYS 54 H LYS 54 8.335 -6.059 -7.172 405 HA LYS 54 HA LYS 54 8.317 -3.500 -5.882 406 1HB LYS 54 2HB LYS 54 6.226 -4.362 -4.799 407 2HB LYS 54 1HB LYS 54 6.211 -4.424 -6.554 408 1HG LYS 54 2HG LYS 54 7.047 -6.874 -6.169 409 2HG LYS 54 1HG LYS 54 6.314 -6.647 -4.582 410 1HD LYS 54 2HD LYS 54 4.246 -5.839 -5.866 411 2HD LYS 54 1HD LYS 54 5.009 -6.561 -7.283 412 1HE LYS 54 2HE LYS 54 4.495 -8.060 -4.719 413 2HE LYS 54 1HE LYS 54 3.370 -8.040 -6.081 414 1HZ LYS 54 1HZ LYS 54 6.076 -9.222 -5.936 415 2HZ LYS 54 2HZ LYS 54 5.373 -8.843 -7.432 416 3HZ LYS 54 3HZ LYS 54 4.618 -9.957 -6.401 417 H LEU 55 H LEU 55 9.154 -2.986 -3.973 418 HA LEU 55 HA LEU 55 9.271 -4.840 -1.794 419 1HB LEU 55 2HB LEU 55 11.454 -5.355 -1.724 420 2HB LEU 55 1HB LEU 55 11.423 -4.976 -3.434 421 HG LEU 55 HG LEU 55 11.934 -2.636 -1.766 422 1HD1 LEU 55 1HD1 LEU 55 13.117 -3.945 -0.274 423 2HD1 LEU 55 2HD1 LEU 55 13.639 -5.077 -1.520 424 3HD1 LEU 55 3HD1 LEU 55 14.360 -3.468 -1.432 425 1HD2 LEU 55 1HD2 LEU 55 13.669 -2.270 -3.393 426 2HD2 LEU 55 2HD2 LEU 55 13.505 -3.922 -3.990 427 3HD2 LEU 55 3HD2 LEU 55 12.192 -2.766 -4.219 428 H CYS 56 H CYS 56 10.533 -3.648 0.101 429 HA CYS 56 HA CYS 56 9.138 -1.228 0.579 430 1HB CYS 56 2HB CYS 56 11.189 -1.404 2.441 431 2HB CYS 56 1HB CYS 56 9.565 -2.082 2.614 432 H ARG 57 H ARG 57 10.277 0.802 1.270 433 HA ARG 57 HA ARG 57 12.558 1.304 -0.517 434 1HB ARG 57 2HB ARG 57 10.263 2.678 -0.522 435 2HB ARG 57 1HB ARG 57 11.134 3.588 0.707 436 1HG ARG 57 2HG ARG 57 11.401 4.544 -1.528 437 2HG ARG 57 1HG ARG 57 12.937 4.019 -0.839 438 1HD ARG 57 2HD ARG 57 12.719 1.907 -2.135 439 2HD ARG 57 1HD ARG 57 11.286 2.585 -2.908 440 HE ARG 57 HE ARG 57 13.730 4.156 -3.099 441 1HH1 ARG 57 2HH1 ARG 57 11.532 1.899 -4.602 442 2HH1 ARG 57 1HH1 ARG 57 12.112 2.194 -6.211 443 1HH2 ARG 57 2HH2 ARG 57 14.511 4.562 -5.205 444 2HH2 ARG 57 1HH2 ARG 57 13.810 3.709 -6.560 445 H ARG 58 H ARG 58 11.329 1.849 2.748 446 HA ARG 58 HA ARG 58 13.715 3.157 3.628 447 1HB ARG 58 2HB ARG 58 12.030 1.761 5.639 448 2HB ARG 58 1HB ARG 58 12.714 3.378 5.678 449 1HG ARG 58 2HG ARG 58 10.453 2.742 3.827 450 2HG ARG 58 1HG ARG 58 10.152 3.073 5.530 451 1HD ARG 58 2HD ARG 58 11.323 5.235 5.281 452 2HD ARG 58 1HD ARG 58 11.526 4.899 3.561 453 HE ARG 58 HE ARG 58 8.798 4.682 4.236 454 1HH1 ARG 58 2HH1 ARG 58 11.293 7.134 3.947 455 2HH1 ARG 58 1HH1 ARG 58 10.178 8.393 3.507 456 1HH2 ARG 58 2HH2 ARG 58 7.328 6.332 3.644 457 2HH2 ARG 58 1HH2 ARG 58 7.933 7.934 3.286 458 H ASP 59 H ASP 59 12.567 -0.135 3.520 459 HA ASP 59 HA ASP 59 14.786 -1.178 5.036 460 1HB ASP 59 2HB ASP 59 12.716 -2.567 3.323 461 2HB ASP 59 1HB ASP 59 13.929 -3.395 4.295 462 H TYR 60 H TYR 60 13.929 -0.687 1.677 463 HA TYR 60 HA TYR 60 16.106 -2.079 0.510 464 1HB TYR 60 2HB TYR 60 14.768 -1.560 -1.237 465 2HB TYR 60 1HB TYR 60 14.013 -0.232 -0.370 466 HD1 TYR 60 1HD TYR 60 14.736 2.032 -0.688 467 HD2 TYR 60 2HD TYR 60 16.777 -1.171 -2.615 468 HE1 TYR 60 1HE TYR 60 15.916 3.649 -2.116 469 HE2 TYR 60 2HE TYR 60 17.964 0.439 -4.041 470 HH TYR 60 HH TYR 60 17.981 3.797 -3.430 471 H LEU 61 H LEU 61 15.649 1.181 1.746 472 HA LEU 61 HA LEU 61 18.111 2.245 0.895 473 1HB LEU 61 2HB LEU 61 15.895 3.288 1.959 474 2HB LEU 61 1HB LEU 61 16.877 3.218 3.413 475 HG LEU 61 HG LEU 61 18.629 4.391 1.729 476 1HD1 LEU 61 1HD1 LEU 61 16.206 4.445 0.315 477 2HD1 LEU 61 2HD1 LEU 61 16.480 6.086 0.901 478 3HD1 LEU 61 3HD1 LEU 61 17.711 5.282 -0.075 479 1HD2 LEU 61 1HD2 LEU 61 16.658 5.353 3.704 480 2HD2 LEU 61 2HD2 LEU 61 18.413 5.524 3.670 481 3HD2 LEU 61 3HD2 LEU 61 17.405 6.579 2.680 482 H ARG 62 H ARG 62 17.262 0.180 3.531 483 HA ARG 62 HA ARG 62 19.413 0.762 5.263 484 1HB ARG 62 2HB ARG 62 17.188 -0.864 5.348 485 2HB ARG 62 1HB ARG 62 18.517 -2.016 5.314 486 1HG ARG 62 2HG ARG 62 18.638 -1.722 7.512 487 2HG ARG 62 1HG ARG 62 19.351 -0.146 7.152 488 1HD ARG 62 2HD ARG 62 16.663 0.328 6.891 489 2HD ARG 62 1HD ARG 62 16.722 -0.816 8.232 490 HE ARG 62 HE ARG 62 18.580 0.916 8.998 491 1HH1 ARG 62 2HH1 ARG 62 15.378 1.439 7.674 492 2HH1 ARG 62 1HH1 ARG 62 15.138 2.956 8.498 493 1HH2 ARG 62 2HH2 ARG 62 18.265 2.912 10.098 494 2HH2 ARG 62 1HH2 ARG 62 16.762 3.777 9.887 495 H LEU 63 H LEU 63 19.202 -1.097 2.359 496 HA LEU 63 HA LEU 63 21.910 -2.136 2.855 497 1HB LEU 63 2HB LEU 63 21.054 -3.748 0.885 498 2HB LEU 63 1HB LEU 63 20.895 -4.119 2.589 499 HG LEU 63 HG LEU 63 18.611 -2.604 1.692 500 1HD1 LEU 63 1HD1 LEU 63 18.361 -5.177 0.400 501 2HD1 LEU 63 2HD1 LEU 63 17.995 -3.565 -0.215 502 3HD1 LEU 63 3HD1 LEU 63 19.636 -4.202 -0.331 503 1HD2 LEU 63 1HD2 LEU 63 19.217 -5.185 3.045 504 2HD2 LEU 63 2HD2 LEU 63 18.252 -3.817 3.599 505 3HD2 LEU 63 3HD2 LEU 63 17.594 -4.934 2.400 506 H GLY 64 H GLY 64 19.779 -0.619 0.495 507 1HA GLY 64 1HA GLY 64 22.137 -0.250 -1.244 508 2HA GLY 64 2HA GLY 64 20.509 -0.496 -1.850 509 H GLY 65 H GLY 65 20.818 1.570 0.900 510 1HA GLY 65 1HA GLY 65 20.838 3.917 -0.874 511 2HA GLY 65 2HA GLY 65 19.604 3.755 0.367 512 H SER 66 H SER 66 20.001 4.664 2.234 513 HA SER 66 HA SER 66 22.759 4.988 3.151 514 1HB SER 66 2HB SER 66 21.061 7.321 3.712 515 2HB SER 66 1HB SER 66 22.735 7.253 3.168 516 HG SER 66 HG SER 66 21.946 7.854 1.323 517 H GLY 67 H GLY 67 20.292 3.375 3.844 518 1HA GLY 67 1HA GLY 67 19.492 4.367 6.446 519 2HA GLY 67 2HA GLY 67 18.967 2.872 5.690 520 H GLY 68 H GLY 68 21.615 1.856 5.171 521 1HA GLY 68 1HA GLY 68 22.154 0.754 7.792 522 2HA GLY 68 2HA GLY 68 22.956 0.318 6.289 523 H HIS 69 H HIS 69 23.427 3.201 5.738 524 HA HIS 69 HA HIS 69 25.952 3.444 7.101 525 1HB HIS 69 2HB HIS 69 24.521 4.977 4.959 526 2HB HIS 69 1HB HIS 69 25.862 5.739 5.806 527 HD2 HIS 69 2HD HIS 69 25.187 3.174 3.045 528 HE1 HIS 69 1HE HIS 69 29.354 3.261 3.756 529 HE2 HIS 69 2HE HIS 69 27.537 2.579 2.123 530 H MET 70 H MET 70 23.235 5.709 6.700 531 HA MET 70 HA MET 70 23.853 6.785 9.362 532 1HB MET 70 2HB MET 70 22.287 8.058 7.107 533 2HB MET 70 1HB MET 70 22.716 8.822 8.633 534 1HG MET 70 2HG MET 70 25.119 7.896 7.535 535 2HG MET 70 1HG MET 70 24.222 8.623 6.203 536 1HE MET 70 1HE MET 70 26.662 9.674 6.467 537 2HE MET 70 2HE MET 70 26.824 11.292 7.153 538 3HE MET 70 3HE MET 70 27.147 9.875 8.151 539 H GLY 71 H GLY 71 20.970 6.445 7.287 540 1HA GLY 71 1HA GLY 71 19.057 5.165 7.887 541 2HA GLY 71 2HA GLY 71 19.561 5.256 9.570 542 H SER 72 H SER 72 18.138 6.374 10.710 543 HA SER 72 HA SER 72 16.523 8.450 9.498 544 1HB SER 72 2HB SER 72 16.380 8.321 12.396 545 2HB SER 72 1HB SER 72 15.119 8.015 11.203 546 HG SER 72 HG SER 72 15.857 5.888 11.007 547 H GLY 73 H GLY 73 18.570 9.617 8.922 548 1HA GLY 73 1HA GLY 73 19.451 11.821 9.399 549 2HA GLY 73 2HA GLY 73 19.316 11.452 11.113 550 H GLY 74 H GLY 74 20.633 9.528 11.835 551 1HA GLY 74 1HA GLY 74 22.520 8.188 11.757 552 2HA GLY 74 2HA GLY 74 22.930 8.892 10.203 553 H ASP 75 H ASP 75 24.484 10.376 10.104 554 HA ASP 75 HA ASP 75 25.575 11.322 12.671 555 1HB ASP 75 2HB ASP 75 26.946 9.735 11.093 556 2HB ASP 75 1HB ASP 75 27.232 11.210 10.174 557 H VAL 76 H VAL 76 25.882 13.435 12.973 558 HA VAL 76 HA VAL 76 24.637 15.291 11.196 559 HB VAL 76 HB VAL 76 26.477 15.969 13.494 560 1HG1 VAL 76 1HG1 VAL 76 26.008 17.900 12.213 561 2HG1 VAL 76 2HG1 VAL 76 24.309 17.463 12.038 562 3HG1 VAL 76 3HG1 VAL 76 24.931 17.970 13.607 563 1HG2 VAL 76 1HG2 VAL 76 24.084 14.501 13.619 564 2HG2 VAL 76 2HG2 VAL 76 24.986 15.215 14.956 565 3HG2 VAL 76 3HG2 VAL 76 23.698 16.131 14.173 566 H MET 77 H MET 77 25.542 15.739 9.313 567 HA MET 77 HA MET 77 28.257 15.429 8.716 568 1HB MET 77 2HB MET 77 26.324 17.175 7.189 569 2HB MET 77 1HB MET 77 27.749 16.350 6.568 570 1HG MET 77 2HG MET 77 26.710 14.223 6.812 571 2HG MET 77 1HG MET 77 25.351 14.926 7.682 572 1HE MET 77 1HE MET 77 24.611 13.558 3.853 573 2HE MET 77 2HE MET 77 26.339 13.568 4.204 574 3HE MET 77 3HE MET 77 25.203 12.943 5.397 575 H VAL 78 H VAL 78 29.824 16.983 8.131 576 HA VAL 78 HA VAL 78 30.232 19.008 10.015 577 HB VAL 78 HB VAL 78 32.051 19.789 8.402 578 1HG1 VAL 78 1HG1 VAL 78 32.706 17.001 8.718 579 2HG1 VAL 78 2HG1 VAL 78 33.352 18.408 9.561 580 3HG1 VAL 78 3HG1 VAL 78 31.885 17.623 10.150 581 1HG2 VAL 78 1HG2 VAL 78 32.592 18.337 6.548 582 2HG2 VAL 78 2HG2 VAL 78 31.223 17.293 6.929 583 3HG2 VAL 78 3HG2 VAL 78 30.944 18.938 6.361 584 H VAL 79 H VAL 79 28.173 19.077 7.415 585 HA VAL 79 HA VAL 79 28.410 21.838 6.678 586 HB VAL 79 HB VAL 79 25.899 20.243 6.280 587 1HG1 VAL 79 1HG1 VAL 79 27.357 22.284 4.602 588 2HG1 VAL 79 2HG1 VAL 79 25.841 21.497 4.163 589 3HG1 VAL 79 3HG1 VAL 79 25.906 22.564 5.566 590 1HG2 VAL 79 1HG2 VAL 79 27.142 19.609 4.032 591 2HG2 VAL 79 2HG2 VAL 79 28.563 19.713 5.072 592 3HG2 VAL 79 3HG2 VAL 79 27.257 18.597 5.473 593 H GLY 80 H GLY 80 27.125 20.145 9.322 594 1HA GLY 80 1HA GLY 80 26.477 21.460 11.253 595 2HA GLY 80 2HA GLY 80 25.655 22.563 10.159 596 H GLU 81 H GLU 81 24.976 19.694 8.887 597 HA GLU 81 HA GLU 81 22.961 18.775 10.717 598 1HB GLU 81 2HB GLU 81 21.145 19.067 8.923 599 2HB GLU 81 1HB GLU 81 21.593 20.478 9.871 600 1HG GLU 81 2HG GLU 81 23.271 20.799 7.821 601 2HG GLU 81 1HG GLU 81 21.986 19.912 7.001 602 HA PRO 82 HA PRO 82 23.777 15.075 8.420 603 1HB PRO 82 2HB PRO 82 21.262 13.946 9.345 604 2HB PRO 82 1HB PRO 82 22.900 13.563 9.871 605 1HG PRO 82 2HG PRO 82 21.078 14.819 11.453 606 2HG PRO 82 1HG PRO 82 22.828 15.057 11.606 607 1HD PRO 82 2HD PRO 82 20.793 16.790 10.249 608 2HD PRO 82 1HD PRO 82 22.160 17.256 11.286 609 H THR 83 H THR 83 21.265 13.489 7.774 610 HA THR 83 HA THR 83 20.723 14.645 5.186 611 HB THR 83 HB THR 83 19.036 12.652 5.159 612 HG1 THR 83 1HG THR 83 20.655 11.319 6.932 613 1HG2 THR 83 1HG2 THR 83 21.325 11.138 5.106 614 2HG2 THR 83 2HG2 THR 83 21.941 12.769 4.836 615 3HG2 THR 83 3HG2 THR 83 20.710 12.104 3.761 616 H LEU 84 H LEU 84 18.106 13.169 6.857 617 HA LEU 84 HA LEU 84 16.898 15.795 7.402 618 1HB LEU 84 2HB LEU 84 14.976 13.620 7.014 619 2HB LEU 84 1HB LEU 84 14.936 15.269 6.424 620 HG LEU 84 HG LEU 84 16.703 13.219 5.124 621 1HD1 LEU 84 1HD1 LEU 84 14.948 12.068 4.424 622 2HD1 LEU 84 2HD1 LEU 84 13.835 13.191 5.202 623 3HD1 LEU 84 3HD1 LEU 84 14.403 13.505 3.563 624 1HD2 LEU 84 1HD2 LEU 84 17.099 15.529 4.536 625 2HD2 LEU 84 2HD2 LEU 84 16.373 14.677 3.173 626 3HD2 LEU 84 3HD2 LEU 84 15.390 15.757 4.162 627 H MET 85 H MET 85 15.041 15.452 9.107 628 HA MET 85 HA MET 85 16.163 14.216 11.421 629 1HB MET 85 2HB MET 85 14.110 16.028 10.947 630 2HB MET 85 1HB MET 85 13.265 14.588 11.502 631 1HG MET 85 2HG MET 85 13.871 14.939 13.600 632 2HG MET 85 1HG MET 85 15.563 15.133 13.149 633 1HE MET 85 1HE MET 85 16.786 16.832 13.365 634 2HE MET 85 2HE MET 85 16.411 18.557 13.386 635 3HE MET 85 3HE MET 85 16.196 17.590 14.843 636 H GLY 86 H GLY 86 13.574 13.425 9.192 637 1HA GLY 86 1HA GLY 86 13.709 10.599 10.036 638 2HA GLY 86 2HA GLY 86 12.425 11.296 9.049 639 H GLY 87 H GLY 87 15.937 10.876 9.078 640 1HA GLY 87 1HA GLY 87 16.264 11.448 6.351 641 2HA GLY 87 2HA GLY 87 17.475 10.731 7.396 642 H GLU 88 H GLU 88 14.596 8.926 7.193 643 HA GLU 88 HA GLU 88 15.942 6.968 5.507 644 1HB GLU 88 2HB GLU 88 13.288 6.632 6.898 645 2HB GLU 88 1HB GLU 88 14.378 5.380 6.317 646 1HG GLU 88 2HG GLU 88 16.058 6.367 7.995 647 2HG GLU 88 1HG GLU 88 14.648 7.134 8.716 648 H PHE 89 H PHE 89 15.693 8.493 3.712 649 HA PHE 89 HA PHE 89 13.232 9.383 2.759 650 1HB PHE 89 2HB PHE 89 15.023 8.988 0.548 651 2HB PHE 89 1HB PHE 89 14.492 10.489 1.297 652 HD1 PHE 89 1HD PHE 89 15.800 11.526 3.055 653 HD2 PHE 89 2HD PHE 89 17.142 8.020 1.063 654 HE1 PHE 89 1HE PHE 89 18.083 11.939 3.880 655 HE2 PHE 89 2HE PHE 89 19.427 8.418 1.883 656 HZ PHE 89 HZ PHE 89 19.903 10.384 3.290 657 H GLY 90 H GLY 90 12.730 8.839 0.261 658 1HA GLY 90 1HA GLY 90 12.318 5.918 0.142 659 2HA GLY 90 2HA GLY 90 11.199 7.093 -0.539 660 H ASP 91 H ASP 91 11.690 8.104 -2.476 661 HA ASP 91 HA ASP 91 14.073 7.114 -3.864 662 1HB ASP 91 2HB ASP 91 12.532 7.546 -5.962 663 2HB ASP 91 1HB ASP 91 12.469 6.036 -5.080 664 H GLU 92 H GLU 92 11.607 9.438 -4.804 665 HA GLU 92 HA GLU 92 13.657 11.558 -4.683 666 1HB GLU 92 2HB GLU 92 11.557 12.154 -6.587 667 2HB GLU 92 1HB GLU 92 13.301 12.167 -6.808 668 1HG GLU 92 2HG GLU 92 12.850 10.533 -8.279 669 2HG GLU 92 1HG GLU 92 12.847 9.516 -6.838 670 H ASP 93 H ASP 93 10.161 10.889 -4.679 671 HA ASP 93 HA ASP 93 9.883 12.831 -2.515 672 1HB ASP 93 2HB ASP 93 8.473 14.267 -3.552 673 2HB ASP 93 1HB ASP 93 9.245 13.663 -5.009 674 H GLU 94 H GLU 94 9.653 9.849 -3.323 675 HA GLU 94 HA GLU 94 8.763 8.052 -2.305 676 1HB GLU 94 2HB GLU 94 6.952 10.018 -0.915 677 2HB GLU 94 1HB GLU 94 6.833 8.275 -0.708 678 1HG GLU 94 2HG GLU 94 8.742 8.140 0.510 679 2HG GLU 94 1HG GLU 94 9.478 9.535 -0.281 680 H ARG 95 H ARG 95 8.079 6.957 -3.899 681 HA ARG 95 HA ARG 95 5.957 7.684 -5.646 682 1HB ARG 95 2HB ARG 95 8.135 6.115 -5.785 683 2HB ARG 95 1HB ARG 95 6.916 4.889 -5.486 684 1HG ARG 95 2HG ARG 95 5.768 5.427 -7.482 685 2HG ARG 95 1HG ARG 95 6.741 6.887 -7.721 686 1HD ARG 95 2HD ARG 95 7.559 4.013 -7.936 687 2HD ARG 95 1HD ARG 95 7.703 5.291 -9.153 688 HE ARG 95 HE ARG 95 9.215 5.698 -6.701 689 1HH1 ARG 95 2HH1 ARG 95 9.283 4.464 -9.990 690 2HH1 ARG 95 1HH1 ARG 95 11.003 4.662 -10.147 691 1HH2 ARG 95 2HH2 ARG 95 11.437 5.913 -6.898 692 2HH2 ARG 95 1HH2 ARG 95 12.240 5.466 -8.373 693 H LEU 96 H LEU 96 5.818 6.512 -2.618 694 HA LEU 96 HA LEU 96 4.554 4.305 -2.166 695 1HB LEU 96 2HB LEU 96 4.050 6.984 -1.018 696 2HB LEU 96 1HB LEU 96 3.007 5.660 -0.522 697 HG LEU 96 HG LEU 96 5.859 5.014 -0.453 698 1HD1 LEU 96 1HD1 LEU 96 4.733 7.253 1.195 699 2HD1 LEU 96 2HD1 LEU 96 6.101 6.282 1.735 700 3HD1 LEU 96 3HD1 LEU 96 6.218 7.219 0.246 701 1HD2 LEU 96 1HD2 LEU 96 3.908 4.860 1.804 702 2HD2 LEU 96 2HD2 LEU 96 3.777 3.758 0.434 703 3HD2 LEU 96 3HD2 LEU 96 5.249 3.785 1.406 704 H ILE 97 H ILE 97 2.495 3.434 -1.843 705 HA ILE 97 HA ILE 97 0.675 3.692 -4.007 706 HB ILE 97 HB ILE 97 -0.493 2.390 -1.710 707 1HG1 ILE 97 2HG1 ILE 97 1.528 0.542 -2.179 708 2HG1 ILE 97 1HG1 ILE 97 2.383 2.075 -2.024 709 1HG2 ILE 97 1HG2 ILE 97 0.259 0.511 -3.658 710 2HG2 ILE 97 2HG2 ILE 97 -1.325 1.253 -3.412 711 3HG2 ILE 97 3HG2 ILE 97 -0.162 1.995 -4.514 712 1HD1 ILE 97 1HD1 ILE 97 0.331 1.262 -0.009 713 2HD1 ILE 97 2HD1 ILE 97 1.982 0.650 0.077 714 3HD1 ILE 97 3HD1 ILE 97 1.679 2.386 0.162 715 H THR 98 H THR 98 -1.738 3.242 -2.482 716 HA THR 98 HA THR 98 -2.226 5.584 -0.889 717 HB THR 98 HB THR 98 -2.591 6.332 -3.296 718 HG1 THR 98 1HG THR 98 -4.116 7.657 -2.567 719 1HG2 THR 98 1HG2 THR 98 -4.974 4.496 -3.059 720 2HG2 THR 98 2HG2 THR 98 -3.612 4.297 -4.166 721 3HG2 THR 98 3HG2 THR 98 -4.706 5.668 -4.351 722 H ARG 99 H ARG 99 -4.226 5.410 0.272 723 HA ARG 99 HA ARG 99 -5.174 2.629 0.418 724 1HB ARG 99 2HB ARG 99 -5.477 4.821 2.482 725 2HB ARG 99 1HB ARG 99 -5.880 3.124 2.690 726 1HG ARG 99 2HG ARG 99 -3.123 3.463 1.894 727 2HG ARG 99 1HG ARG 99 -3.498 4.369 3.361 728 1HD ARG 99 2HD ARG 99 -3.758 1.418 2.864 729 2HD ARG 99 1HD ARG 99 -2.808 2.245 4.097 730 HE ARG 99 HE ARG 99 -5.426 2.933 4.608 731 1HH1 ARG 99 2HH1 ARG 99 -3.519 -0.016 4.538 732 2HH1 ARG 99 1HH1 ARG 99 -4.602 -0.867 5.602 733 1HH2 ARG 99 2HH2 ARG 99 -6.781 1.834 6.045 734 2HH2 ARG 99 1HH2 ARG 99 -6.432 0.182 6.477 735 H LEU 100 H LEU 100 -7.153 2.192 -0.313 736 HA LEU 100 HA LEU 100 -9.012 4.450 -0.650 737 1HB LEU 100 2HB LEU 100 -7.978 2.879 -2.614 738 2HB LEU 100 1HB LEU 100 -9.467 2.029 -2.256 739 HG LEU 100 HG LEU 100 -10.193 4.724 -2.456 740 1HD1 LEU 100 1HD1 LEU 100 -8.946 4.315 -5.041 741 2HD1 LEU 100 2HD1 LEU 100 -8.955 5.740 -4.001 742 3HD1 LEU 100 3HD1 LEU 100 -7.764 4.467 -3.740 743 1HD2 LEU 100 1HD2 LEU 100 -10.628 3.311 -4.909 744 2HD2 LEU 100 2HD2 LEU 100 -10.881 2.228 -3.540 745 3HD2 LEU 100 3HD2 LEU 100 -11.783 3.740 -3.647 746 H GLU 101 H GLU 101 -11.313 3.556 -0.940 747 HA GLU 101 HA GLU 101 -11.842 1.826 1.366 748 1HB GLU 101 2HB GLU 101 -14.294 2.765 0.721 749 2HB GLU 101 1HB GLU 101 -13.204 3.554 1.853 750 1HG GLU 101 2HG GLU 101 -12.600 5.187 0.346 751 2HG GLU 101 1HG GLU 101 -13.088 4.226 -1.048 752 H ASN 102 H ASN 102 -12.933 -0.037 1.187 753 HA ASN 102 HA ASN 102 -13.549 -0.975 -1.517 754 1HB ASN 102 2HB ASN 102 -12.188 -2.404 0.090 755 2HB ASN 102 1HB ASN 102 -13.666 -2.587 1.037 756 1HD2 ASN 102 1HD2 ASN 102 -12.968 -4.870 0.448 757 2HD2 ASN 102 2HD2 ASN 102 -13.683 -5.547 -0.983 758 H THR 103 H THR 103 -14.960 -0.652 1.706 759 HA THR 103 HA THR 103 -17.615 -0.594 0.444 760 HB THR 103 HB THR 103 -17.544 -0.803 3.379 761 HG1 THR 103 1HG THR 103 -16.699 -3.000 1.757 762 1HG2 THR 103 1HG2 THR 103 -19.071 -2.837 2.455 763 2HG2 THR 103 2HG2 THR 103 -19.144 -1.723 1.089 764 3HG2 THR 103 3HG2 THR 103 -19.654 -1.190 2.689 765 H GLN 104 H GLN 104 -16.980 0.643 3.692 766 HA GLN 104 HA GLN 104 -16.536 3.338 2.872 767 1HB GLN 104 2HB GLN 104 -18.739 4.130 4.030 768 2HB GLN 104 1HB GLN 104 -18.773 3.628 2.347 769 1HG GLN 104 2HG GLN 104 -19.376 1.296 3.363 770 2HG GLN 104 1HG GLN 104 -19.862 2.260 4.757 771 1HE2 GLN 104 1HE2 GLN 104 -21.946 2.633 4.775 772 2HE2 GLN 104 2HE2 GLN 104 -22.950 2.939 3.388 773 H PHE 105 H PHE 105 -14.918 2.159 4.462 774 HA PHE 105 HA PHE 105 -15.635 3.064 7.164 775 1HB PHE 105 2HB PHE 105 -14.871 0.431 6.315 776 2HB PHE 105 1HB PHE 105 -13.652 1.071 7.410 777 HD1 PHE 105 1HD PHE 105 -15.857 2.858 8.825 778 HD2 PHE 105 2HD PHE 105 -15.445 -1.287 7.958 779 HE1 PHE 105 1HE PHE 105 -17.291 2.313 10.751 780 HE2 PHE 105 2HE PHE 105 -16.878 -1.837 9.878 781 HZ PHE 105 HZ PHE 105 -17.802 -0.037 11.278 782 H ASP 106 H ASP 106 -14.665 5.052 6.570 783 HA ASP 106 HA ASP 106 -11.901 5.164 5.805 784 1HB ASP 106 2HB ASP 106 -14.094 6.926 5.771 785 2HB ASP 106 1HB ASP 106 -12.905 7.664 6.836 786 H ALA 107 H ALA 107 -13.714 6.061 8.735 787 HA ALA 107 HA ALA 107 -11.250 6.612 10.155 788 1HB ALA 107 1HB ALA 107 -12.928 8.124 10.695 789 2HB ALA 107 2HB ALA 107 -14.151 6.862 10.839 790 3HB ALA 107 3HB ALA 107 -12.901 7.024 12.072 791 H ALA 108 H ALA 108 -12.089 3.836 9.261 792 HA ALA 108 HA ALA 108 -12.228 2.413 11.801 793 1HB ALA 108 1HB ALA 108 -13.517 1.387 10.125 794 2HB ALA 108 2HB ALA 108 -12.228 1.540 8.930 795 3HB ALA 108 3HB ALA 108 -12.066 0.392 10.258 796 H ASN 109 H ASN 109 -9.931 4.031 10.298 797 HA ASN 109 HA ASN 109 -7.778 2.099 10.370 798 1HB ASN 109 2HB ASN 109 -8.121 4.165 8.764 799 2HB ASN 109 1HB ASN 109 -7.320 5.041 10.066 800 1HD2 ASN 109 1HD2 ASN 109 -5.376 5.445 9.228 801 2HD2 ASN 109 2HD2 ASN 109 -4.278 4.237 8.630 802 H GLY 110 H GLY 110 -9.076 2.527 12.893 803 1HA GLY 110 1HA GLY 110 -8.121 2.436 15.037 804 2HA GLY 110 2HA GLY 110 -6.711 3.285 14.424 805 H ILE 111 H ILE 111 -9.752 4.591 13.590 806 HA ILE 111 HA ILE 111 -9.357 6.742 15.558 807 HB ILE 111 HB ILE 111 -11.295 7.272 13.422 808 1HG1 ILE 111 2HG1 ILE 111 -9.410 5.871 12.312 809 2HG1 ILE 111 1HG1 ILE 111 -9.891 7.387 11.560 810 1HG2 ILE 111 1HG2 ILE 111 -10.717 9.387 13.829 811 2HG2 ILE 111 2HG2 ILE 111 -9.860 8.733 15.224 812 3HG2 ILE 111 3HG2 ILE 111 -8.991 9.038 13.720 813 1HD1 ILE 111 1HD1 ILE 111 -7.494 7.161 11.541 814 2HD1 ILE 111 2HD1 ILE 111 -7.965 8.489 12.601 815 3HD1 ILE 111 3HD1 ILE 111 -7.474 6.943 13.291 816 H ASP 112 H ASP 112 -12.334 6.661 13.918 817 HA ASP 112 HA ASP 112 -13.771 4.834 15.482 818 1HB ASP 112 2HB ASP 112 -13.272 6.584 17.246 819 2HB ASP 112 1HB ASP 112 -14.275 7.697 16.317 820 H ASP 113 H ASP 113 -14.983 4.268 13.768 821 HA ASP 113 HA ASP 113 -16.408 6.416 12.340 822 1HB ASP 113 2HB ASP 113 -14.872 4.505 11.220 823 2HB ASP 113 1HB ASP 113 -16.422 3.666 11.231 824 H GLU 114 H GLU 114 -18.611 5.645 11.482 825 HA GLU 114 HA GLU 114 -20.273 5.136 13.698 826 1HB GLU 114 2HB GLU 114 -20.642 6.077 11.137 827 2HB GLU 114 1HB GLU 114 -21.451 4.518 11.082 828 1HG GLU 114 2HG GLU 114 -22.333 5.613 13.450 829 2HG GLU 114 1HG GLU 114 -22.257 6.993 12.357 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -16.399 -13.564 -6.723 2 2H GLY 1 2H GLY 1 -14.743 -13.932 -6.610 3 3H GLY 1 3H GLY 1 -15.370 -13.262 -8.035 4 1HA GLY 1 2HA GLY 1 -15.091 -11.943 -5.397 5 2HA GLY 1 1HA GLY 1 -14.233 -11.544 -6.878 6 H SER 2 H SER 2 -16.871 -10.813 -4.938 7 HA SER 2 HA SER 2 -18.685 -9.910 -6.930 8 1HB SER 2 2HB SER 2 -18.926 -8.585 -4.342 9 2HB SER 2 1HB SER 2 -20.068 -9.646 -5.170 10 HG SER 2 HG SER 2 -19.528 -11.035 -3.692 11 H LEU 3 H LEU 3 -16.161 -8.420 -5.042 12 HA LEU 3 HA LEU 3 -16.505 -5.923 -6.567 13 1HB LEU 3 2HB LEU 3 -15.047 -6.323 -3.955 14 2HB LEU 3 1HB LEU 3 -15.287 -4.799 -4.788 15 HG LEU 3 HG LEU 3 -17.846 -5.954 -4.356 16 1HD1 LEU 3 1HD1 LEU 3 -16.217 -7.012 -2.480 17 2HD1 LEU 3 2HD1 LEU 3 -16.695 -5.511 -1.687 18 3HD1 LEU 3 3HD1 LEU 3 -17.924 -6.658 -2.222 19 1HD2 LEU 3 1HD2 LEU 3 -17.720 -3.869 -2.660 20 2HD2 LEU 3 2HD2 LEU 3 -16.339 -3.513 -3.696 21 3HD2 LEU 3 3HD2 LEU 3 -17.943 -3.705 -4.401 22 H LEU 4 H LEU 4 -13.739 -5.243 -5.504 23 HA LEU 4 HA LEU 4 -12.291 -5.984 -7.785 24 1HB LEU 4 2HB LEU 4 -11.258 -4.955 -5.180 25 2HB LEU 4 1HB LEU 4 -10.457 -4.880 -6.740 26 HG LEU 4 HG LEU 4 -11.259 -2.812 -6.675 27 1HD1 LEU 4 1HD1 LEU 4 -13.938 -3.632 -7.492 28 2HD1 LEU 4 2HD1 LEU 4 -12.800 -2.516 -8.255 29 3HD1 LEU 4 3HD1 LEU 4 -12.578 -4.258 -8.428 30 1HD2 LEU 4 1HD2 LEU 4 -12.331 -3.326 -4.390 31 2HD2 LEU 4 2HD2 LEU 4 -12.882 -1.924 -5.311 32 3HD2 LEU 4 3HD2 LEU 4 -13.826 -3.414 -5.328 33 H THR 5 H THR 5 -10.178 -7.098 -7.702 34 HA THR 5 HA THR 5 -10.020 -9.170 -5.631 35 HB THR 5 HB THR 5 -8.655 -10.198 -7.843 36 HG1 THR 5 1HG THR 5 -10.698 -8.605 -8.668 37 1HG2 THR 5 1HG2 THR 5 -9.680 -11.950 -6.941 38 2HG2 THR 5 2HG2 THR 5 -11.186 -11.422 -7.695 39 3HG2 THR 5 3HG2 THR 5 -10.782 -10.889 -6.063 40 H CYS 6 H CYS 6 -8.101 -9.277 -4.641 41 HA CYS 6 HA CYS 6 -6.213 -7.198 -5.275 42 1HB CYS 6 2HB CYS 6 -6.387 -7.143 -3.029 43 2HB CYS 6 1HB CYS 6 -6.966 -8.801 -2.940 44 H GLY 7 H GLY 7 -4.226 -7.438 -6.094 45 1HA GLY 7 1HA GLY 7 -3.600 -9.917 -7.385 46 2HA GLY 7 2HA GLY 7 -2.622 -8.457 -7.407 47 H GLY 8 H GLY 8 -3.145 -8.938 -4.257 48 1HA GLY 8 1HA GLY 8 -0.522 -10.117 -3.888 49 2HA GLY 8 2HA GLY 8 -1.547 -9.427 -2.639 50 H CYS 9 H CYS 9 -3.803 -10.817 -2.667 51 HA CYS 9 HA CYS 9 -2.866 -13.550 -2.116 52 1HB CYS 9 2HB CYS 9 -4.693 -13.702 -0.503 53 2HB CYS 9 1HB CYS 9 -3.670 -12.313 -0.158 54 H GLN 10 H GLN 10 -5.160 -11.670 -3.882 55 HA GLN 10 HA GLN 10 -6.636 -12.151 -5.521 56 1HB GLN 10 2HB GLN 10 -4.738 -14.329 -5.628 57 2HB GLN 10 1HB GLN 10 -6.343 -14.878 -6.094 58 1HG GLN 10 2HG GLN 10 -4.858 -12.553 -7.295 59 2HG GLN 10 1HG GLN 10 -5.053 -14.145 -8.020 60 1HE2 GLN 10 1HE2 GLN 10 -7.292 -14.847 -8.407 61 2HE2 GLN 10 2HE2 GLN 10 -8.459 -13.654 -8.884 62 H GLN 11 H GLN 11 -7.148 -12.764 -2.593 63 HA GLN 11 HA GLN 11 -9.212 -14.811 -2.812 64 1HB GLN 11 2HB GLN 11 -9.201 -14.942 -0.509 65 2HB GLN 11 1HB GLN 11 -7.544 -14.465 -0.831 66 1HG GLN 11 2HG GLN 11 -8.195 -12.113 -0.378 67 2HG GLN 11 1HG GLN 11 -9.791 -12.695 0.092 68 1HE2 GLN 11 1HE2 GLN 11 -6.412 -12.619 0.893 69 2HE2 GLN 11 2HE2 GLN 11 -6.593 -13.097 2.553 70 H ASN 12 H ASN 12 -9.176 -11.856 -3.842 71 HA ASN 12 HA ASN 12 -10.780 -10.370 -4.440 72 1HB ASN 12 2HB ASN 12 -12.542 -11.768 -4.834 73 2HB ASN 12 1HB ASN 12 -12.436 -12.531 -3.255 74 1HD2 ASN 12 1HD2 ASN 12 -13.432 -11.517 -1.469 75 2HD2 ASN 12 2HD2 ASN 12 -14.725 -10.379 -1.706 76 H ILE 13 H ILE 13 -11.459 -8.419 -3.663 77 HA ILE 13 HA ILE 13 -10.827 -7.926 -0.854 78 HB ILE 13 HB ILE 13 -11.365 -5.862 -2.961 79 1HG1 ILE 13 2HG1 ILE 13 -8.585 -6.676 -2.259 80 2HG1 ILE 13 1HG1 ILE 13 -9.483 -7.671 -3.396 81 1HG2 ILE 13 1HG2 ILE 13 -9.368 -5.295 -0.935 82 2HG2 ILE 13 2HG2 ILE 13 -10.780 -4.356 -1.435 83 3HG2 ILE 13 3HG2 ILE 13 -10.953 -5.653 -0.247 84 1HD1 ILE 13 1HD1 ILE 13 -7.955 -5.639 -4.151 85 2HD1 ILE 13 2HD1 ILE 13 -9.413 -6.117 -5.028 86 3HD1 ILE 13 3HD1 ILE 13 -9.467 -4.764 -3.895 87 H GLY 14 H GLY 14 -12.502 -8.084 0.485 88 1HA GLY 14 1HA GLY 14 -15.106 -6.989 -0.404 89 2HA GLY 14 2HA GLY 14 -14.935 -8.359 0.687 90 H ASP 15 H ASP 15 -12.712 -5.841 1.096 91 HA ASP 15 HA ASP 15 -13.620 -5.335 3.759 92 1HB ASP 15 2HB ASP 15 -11.332 -4.423 2.077 93 2HB ASP 15 1HB ASP 15 -11.745 -3.482 3.502 94 H ARG 16 H ARG 16 -13.225 -2.764 4.302 95 HA ARG 16 HA ARG 16 -15.286 -1.355 2.739 96 1HB ARG 16 2HB ARG 16 -15.859 -0.129 4.598 97 2HB ARG 16 1HB ARG 16 -15.321 -1.598 5.391 98 1HG ARG 16 2HG ARG 16 -12.997 -0.228 5.264 99 2HG ARG 16 1HG ARG 16 -14.152 1.096 5.401 100 1HD ARG 16 2HD ARG 16 -13.678 0.631 7.609 101 2HD ARG 16 1HD ARG 16 -15.144 -0.310 7.341 102 HE ARG 16 HE ARG 16 -12.502 -1.576 7.092 103 1HH1 ARG 16 2HH1 ARG 16 -15.644 -1.358 8.645 104 2HH1 ARG 16 1HH1 ARG 16 -15.459 -2.862 9.507 105 1HH2 ARG 16 2HH2 ARG 16 -12.265 -3.562 8.207 106 2HH2 ARG 16 1HH2 ARG 16 -13.542 -4.113 9.253 107 H TYR 17 H TYR 17 -11.968 -1.497 3.599 108 HA TYR 17 HA TYR 17 -11.398 0.870 1.958 109 1HB TYR 17 2HB TYR 17 -11.359 0.920 4.726 110 2HB TYR 17 1HB TYR 17 -9.682 0.576 4.325 111 HD1 TYR 17 1HD TYR 17 -8.251 2.365 3.923 112 HD2 TYR 17 2HD TYR 17 -12.439 2.908 3.422 113 HE1 TYR 17 1HE TYR 17 -7.894 4.770 3.545 114 HE2 TYR 17 2HE TYR 17 -12.095 5.306 3.034 115 HH TYR 17 HH TYR 17 -9.563 6.966 3.885 116 H PHE 18 H PHE 18 -9.444 0.691 0.814 117 HA PHE 18 HA PHE 18 -7.614 -1.464 1.358 118 1HB PHE 18 2HB PHE 18 -8.028 -2.843 -0.508 119 2HB PHE 18 1HB PHE 18 -9.611 -2.532 0.190 120 HD1 PHE 18 1HD PHE 18 -10.375 0.037 -0.891 121 HD2 PHE 18 2HD PHE 18 -8.267 -3.156 -2.750 122 HE1 PHE 18 1HE PHE 18 -11.184 0.787 -3.085 123 HE2 PHE 18 2HE PHE 18 -9.069 -2.409 -4.948 124 HZ PHE 18 HZ PHE 18 -10.531 -0.435 -5.120 125 H LEU 19 H LEU 19 -6.323 -1.738 -0.992 126 HA LEU 19 HA LEU 19 -5.498 0.994 -1.710 127 1HB LEU 19 2HB LEU 19 -3.897 -1.440 -0.984 128 2HB LEU 19 1HB LEU 19 -3.211 -0.200 -2.008 129 HG LEU 19 HG LEU 19 -4.374 0.581 0.627 130 1HD1 LEU 19 1HD1 LEU 19 -2.933 -1.357 1.089 131 2HD1 LEU 19 2HD1 LEU 19 -1.605 -0.554 0.250 132 3HD1 LEU 19 3HD1 LEU 19 -2.262 0.142 1.731 133 1HD2 LEU 19 1HD2 LEU 19 -3.185 2.482 0.351 134 2HD2 LEU 19 2HD2 LEU 19 -1.841 1.659 -0.443 135 3HD2 LEU 19 3HD2 LEU 19 -3.310 2.030 -1.352 136 H LYS 20 H LYS 20 -5.070 1.331 -3.897 137 HA LYS 20 HA LYS 20 -4.490 -0.843 -5.630 138 1HB LYS 20 2HB LYS 20 -6.474 -1.393 -6.467 139 2HB LYS 20 1HB LYS 20 -7.260 -0.275 -5.363 140 1HG LYS 20 2HG LYS 20 -6.153 1.047 -7.701 141 2HG LYS 20 1HG LYS 20 -7.327 -0.189 -8.115 142 1HD LYS 20 2HD LYS 20 -7.940 1.798 -5.966 143 2HD LYS 20 1HD LYS 20 -8.139 2.232 -7.666 144 1HE LYS 20 2HE LYS 20 -9.285 -0.362 -7.058 145 2HE LYS 20 1HE LYS 20 -9.982 0.916 -6.064 146 1HZ LYS 20 1HZ LYS 20 -9.726 1.194 -8.996 147 2HZ LYS 20 2HZ LYS 20 -10.728 2.059 -7.934 148 3HZ LYS 20 3HZ LYS 20 -11.069 0.431 -8.291 149 H ALA 21 H ALA 21 -3.345 -0.121 -7.395 150 HA ALA 21 HA ALA 21 -3.637 2.281 -8.744 151 1HB ALA 21 1HB ALA 21 -3.035 3.775 -7.157 152 2HB ALA 21 2HB ALA 21 -2.102 2.591 -6.241 153 3HB ALA 21 3HB ALA 21 -1.410 3.339 -7.682 154 H ILE 22 H ILE 22 -1.094 0.250 -7.359 155 HA ILE 22 HA ILE 22 0.995 0.758 -8.950 156 HB ILE 22 HB ILE 22 0.196 -2.001 -8.017 157 1HG1 ILE 22 2HG1 ILE 22 1.982 0.081 -6.743 158 2HG1 ILE 22 1HG1 ILE 22 0.346 -0.311 -6.222 159 1HG2 ILE 22 1HG2 ILE 22 2.536 -1.019 -9.463 160 2HG2 ILE 22 2HG2 ILE 22 2.922 -1.923 -7.997 161 3HG2 ILE 22 3HG2 ILE 22 1.932 -2.665 -9.257 162 1HD1 ILE 22 1HD1 ILE 22 2.828 -1.983 -6.039 163 2HD1 ILE 22 2HD1 ILE 22 1.741 -1.456 -4.748 164 3HD1 ILE 22 3HD1 ILE 22 1.212 -2.683 -5.897 165 H ASP 23 H ASP 23 -1.552 -1.552 -9.779 166 HA ASP 23 HA ASP 23 -1.546 -1.214 -12.511 167 1HB ASP 23 2HB ASP 23 0.467 -2.086 -13.099 168 2HB ASP 23 1HB ASP 23 0.674 -2.885 -11.552 169 H GLN 24 H GLN 24 -2.313 -2.754 -9.681 170 HA GLN 24 HA GLN 24 -4.706 -3.848 -10.838 171 1HB GLN 24 2HB GLN 24 -4.499 -6.045 -9.780 172 2HB GLN 24 1HB GLN 24 -3.196 -5.795 -10.930 173 1HG GLN 24 2HG GLN 24 -2.484 -4.947 -8.248 174 2HG GLN 24 1HG GLN 24 -2.940 -6.648 -8.328 175 1HE2 GLN 24 1HE2 GLN 24 -0.788 -4.217 -9.657 176 2HE2 GLN 24 2HE2 GLN 24 0.417 -5.319 -10.221 177 H TYR 25 H TYR 25 -5.940 -4.936 -8.765 178 HA TYR 25 HA TYR 25 -5.995 -2.799 -6.770 179 1HB TYR 25 2HB TYR 25 -7.820 -5.190 -6.773 180 2HB TYR 25 1HB TYR 25 -8.110 -3.579 -6.114 181 HD1 TYR 25 1HD TYR 25 -9.321 -5.648 -8.437 182 HD2 TYR 25 2HD TYR 25 -7.627 -1.754 -8.248 183 HE1 TYR 25 1HE TYR 25 -10.503 -5.038 -10.512 184 HE2 TYR 25 2HE TYR 25 -8.807 -1.131 -10.312 185 HH TYR 25 HH TYR 25 -11.216 -3.192 -11.761 186 H TRP 26 H TRP 26 -5.927 -3.293 -4.490 187 HA TRP 26 HA TRP 26 -4.516 -5.796 -3.860 188 1HB TRP 26 2HB TRP 26 -3.710 -3.028 -2.962 189 2HB TRP 26 1HB TRP 26 -2.953 -4.529 -2.448 190 HD1 TRP 26 HD TRP 26 -2.955 -1.991 -5.217 191 HE1 TRP 26 1HE TRP 26 -1.099 -2.581 -6.888 192 HE3 TRP 26 3HE TRP 26 -1.769 -6.638 -3.476 193 HZ2 TRP 26 2HZ TRP 26 0.633 -4.754 -7.423 194 HZ3 TRP 26 3HZ TRP 26 -0.009 -7.917 -4.635 195 HH2 TRP 26 HH TRP 26 1.168 -6.987 -6.564 196 H HIS 27 H HIS 27 -3.890 -5.139 -1.292 197 HA HIS 27 HA HIS 27 -6.456 -4.715 0.075 198 1HB HIS 27 2HB HIS 27 -4.590 -6.996 0.275 199 2HB HIS 27 1HB HIS 27 -5.094 -6.316 1.816 200 HD2 HIS 27 2HD HIS 27 -8.179 -5.929 1.559 201 HE1 HIS 27 1HE HIS 27 -8.259 -9.850 -0.039 202 HE2 HIS 27 2HE HIS 27 -9.599 -8.078 1.203 203 H GLU 28 H GLU 28 -6.125 -3.975 2.335 204 HA GLU 28 HA GLU 28 -4.179 -1.918 2.505 205 1HB GLU 28 2HB GLU 28 -6.178 -3.139 4.382 206 2HB GLU 28 1HB GLU 28 -5.029 -1.945 4.945 207 1HG GLU 28 2HG GLU 28 -5.876 -0.382 3.225 208 2HG GLU 28 1HG GLU 28 -7.098 -1.582 2.802 209 H ASP 29 H ASP 29 -4.521 -5.135 3.940 210 HA ASP 29 HA ASP 29 -1.982 -4.771 5.311 211 1HB ASP 29 2HB ASP 29 -3.164 -5.669 6.980 212 2HB ASP 29 1HB ASP 29 -4.474 -6.087 5.892 213 H CYS 30 H CYS 30 -3.039 -6.123 2.493 214 HA CYS 30 HA CYS 30 -1.325 -8.424 2.433 215 1HB CYS 30 2HB CYS 30 -3.183 -7.090 0.570 216 2HB CYS 30 1HB CYS 30 -1.811 -7.893 -0.189 217 H LEU 31 H LEU 31 -1.197 -5.121 1.222 218 HA LEU 31 HA LEU 31 1.479 -5.402 0.181 219 1HB LEU 31 2HB LEU 31 -0.247 -2.975 0.677 220 2HB LEU 31 1HB LEU 31 1.332 -2.923 -0.080 221 HG LEU 31 HG LEU 31 -1.077 -4.365 -1.181 222 1HD1 LEU 31 1HD1 LEU 31 -0.587 -2.500 -2.989 223 2HD1 LEU 31 2HD1 LEU 31 -1.626 -2.193 -1.596 224 3HD1 LEU 31 3HD1 LEU 31 0.052 -1.649 -1.581 225 1HD2 LEU 31 1HD2 LEU 31 0.300 -5.388 -2.586 226 2HD2 LEU 31 2HD2 LEU 31 0.995 -3.843 -3.075 227 3HD2 LEU 31 3HD2 LEU 31 1.671 -4.719 -1.699 228 H SER 32 H SER 32 3.135 -5.635 1.575 229 HA SER 32 HA SER 32 3.472 -3.666 3.652 230 1HB SER 32 2HB SER 32 4.132 -5.748 5.190 231 2HB SER 32 1HB SER 32 2.501 -5.079 5.149 232 HG SER 32 HG SER 32 1.953 -6.678 3.614 233 H CYS 33 H CYS 33 5.357 -6.388 4.267 234 HA CYS 33 HA CYS 33 7.699 -5.057 3.153 235 1HB CYS 33 2HB CYS 33 7.104 -6.812 5.423 236 2HB CYS 33 1HB CYS 33 8.577 -7.261 4.574 237 H ASP 34 H ASP 34 8.337 -5.673 1.130 238 HA ASP 34 HA ASP 34 7.707 -8.395 0.252 239 1HB ASP 34 2HB ASP 34 7.385 -6.102 -1.086 240 2HB ASP 34 1HB ASP 34 9.028 -6.477 -1.592 241 H LEU 35 H LEU 35 10.467 -6.235 0.668 242 HA LEU 35 HA LEU 35 12.439 -7.981 -0.353 243 1HB LEU 35 2HB LEU 35 13.010 -5.687 -0.060 244 2HB LEU 35 1HB LEU 35 12.572 -5.720 1.638 245 HG LEU 35 HG LEU 35 14.539 -7.558 1.660 246 1HD1 LEU 35 1HD1 LEU 35 15.623 -5.562 -0.286 247 2HD1 LEU 35 2HD1 LEU 35 16.247 -7.151 0.156 248 3HD1 LEU 35 3HD1 LEU 35 14.811 -7.018 -0.860 249 1HD2 LEU 35 1HD2 LEU 35 14.744 -5.895 3.215 250 2HD2 LEU 35 2HD2 LEU 35 16.048 -5.448 2.115 251 3HD2 LEU 35 3HD2 LEU 35 14.499 -4.606 2.036 252 H CYS 36 H CYS 36 11.299 -7.381 2.930 253 HA CYS 36 HA CYS 36 12.880 -9.453 4.097 254 1HB CYS 36 2HB CYS 36 10.471 -8.101 5.308 255 2HB CYS 36 1HB CYS 36 11.840 -8.835 6.144 256 H GLY 37 H GLY 37 9.805 -9.273 2.581 257 1HA GLY 37 1HA GLY 37 8.283 -10.886 2.022 258 2HA GLY 37 2HA GLY 37 9.543 -12.052 2.406 259 H CYS 38 H CYS 38 8.076 -9.759 4.656 260 HA CYS 38 HA CYS 38 7.608 -11.742 6.604 261 1HB CYS 38 2HB CYS 38 6.210 -9.072 6.459 262 2HB CYS 38 1HB CYS 38 6.574 -10.026 7.894 263 HG CYS 38 HG CYS 38 8.236 -7.549 6.851 264 H ARG 39 H ARG 39 5.072 -9.750 5.071 265 HA ARG 39 HA ARG 39 3.370 -12.147 5.020 266 1HB ARG 39 2HB ARG 39 2.757 -9.626 5.919 267 2HB ARG 39 1HB ARG 39 2.113 -9.602 4.281 268 1HG ARG 39 2HG ARG 39 0.984 -11.804 4.864 269 2HG ARG 39 1HG ARG 39 1.392 -11.435 6.540 270 1HD ARG 39 2HD ARG 39 -0.616 -10.425 6.537 271 2HD ARG 39 1HD ARG 39 0.275 -9.101 5.788 272 HE ARG 39 HE ARG 39 -0.911 -9.447 3.882 273 1HH1 ARG 39 2HH1 ARG 39 -1.112 -12.359 5.822 274 2HH1 ARG 39 1HH1 ARG 39 -2.266 -13.128 4.774 275 1HH2 ARG 39 2HH2 ARG 39 -2.402 -10.471 2.474 276 2HH2 ARG 39 1HH2 ARG 39 -2.965 -12.076 2.849 277 H LEU 40 H LEU 40 4.763 -9.590 3.063 278 HA LEU 40 HA LEU 40 3.539 -10.439 0.617 279 1HB LEU 40 2HB LEU 40 5.689 -8.520 1.390 280 2HB LEU 40 1HB LEU 40 5.567 -9.017 -0.284 281 HG LEU 40 HG LEU 40 3.248 -7.825 1.213 282 1HD1 LEU 40 1HD1 LEU 40 5.670 -6.562 0.465 283 2HD1 LEU 40 2HD1 LEU 40 4.400 -5.996 -0.621 284 3HD1 LEU 40 3HD1 LEU 40 4.205 -5.828 1.129 285 1HD2 LEU 40 1HD2 LEU 40 3.836 -7.926 -1.738 286 2HD2 LEU 40 2HD2 LEU 40 2.854 -9.126 -0.897 287 3HD2 LEU 40 3HD2 LEU 40 2.334 -7.441 -0.953 288 H GLY 41 H GLY 41 6.535 -9.992 -0.419 289 1HA GLY 41 1HA GLY 41 8.400 -11.423 -0.756 290 2HA GLY 41 2HA GLY 41 7.480 -12.749 -0.039 291 H GLU 42 H GLU 42 6.772 -10.421 -2.610 292 HA GLU 42 HA GLU 42 5.835 -10.648 -4.647 293 1HB GLU 42 2HB GLU 42 8.104 -12.446 -4.561 294 2HB GLU 42 1HB GLU 42 6.887 -12.985 -5.715 295 1HG GLU 42 2HG GLU 42 8.081 -10.232 -5.607 296 2HG GLU 42 1HG GLU 42 8.564 -11.508 -6.728 297 H VAL 43 H VAL 43 3.850 -11.123 -3.401 298 HA VAL 43 HA VAL 43 3.010 -13.871 -3.321 299 HB VAL 43 HB VAL 43 0.812 -12.763 -2.512 300 1HG1 VAL 43 1HG1 VAL 43 1.746 -12.505 -0.257 301 2HG1 VAL 43 2HG1 VAL 43 2.355 -13.953 -1.061 302 3HG1 VAL 43 3HG1 VAL 43 3.373 -12.518 -0.939 303 1HG2 VAL 43 1HG2 VAL 43 0.700 -10.548 -2.247 304 2HG2 VAL 43 2HG2 VAL 43 2.335 -10.453 -1.597 305 3HG2 VAL 43 3HG2 VAL 43 2.080 -10.472 -3.341 306 H GLY 44 H GLY 44 3.192 -11.941 -5.896 307 1HA GLY 44 1HA GLY 44 2.002 -13.563 -7.555 308 2HA GLY 44 2HA GLY 44 0.588 -12.701 -6.993 309 H ARG 45 H ARG 45 3.199 -10.518 -7.177 310 HA ARG 45 HA ARG 45 3.602 -10.097 -9.835 311 1HB ARG 45 2HB ARG 45 0.940 -9.715 -9.510 312 2HB ARG 45 1HB ARG 45 1.528 -8.078 -9.313 313 1HG ARG 45 2HG ARG 45 2.133 -7.881 -11.478 314 2HG ARG 45 1HG ARG 45 2.619 -9.574 -11.604 315 1HD ARG 45 2HD ARG 45 -0.025 -8.314 -12.034 316 2HD ARG 45 1HD ARG 45 0.742 -9.654 -12.886 317 HE ARG 45 HE ARG 45 0.250 -10.795 -10.547 318 1HH1 ARG 45 2HH1 ARG 45 -1.795 -8.661 -12.416 319 2HH1 ARG 45 1HH1 ARG 45 -3.276 -9.422 -11.915 320 1HH2 ARG 45 2HH2 ARG 45 -1.700 -11.814 -9.878 321 2HH2 ARG 45 1HH2 ARG 45 -3.222 -11.229 -10.486 322 H ARG 46 H ARG 46 2.226 -7.567 -7.764 323 HA ARG 46 HA ARG 46 4.817 -6.190 -8.021 324 1HB ARG 46 2HB ARG 46 2.122 -4.846 -8.100 325 2HB ARG 46 1HB ARG 46 3.682 -4.169 -8.549 326 1HG ARG 46 2HG ARG 46 3.561 -6.257 -10.246 327 2HG ARG 46 1HG ARG 46 1.846 -5.875 -10.083 328 1HD ARG 46 2HD ARG 46 2.098 -4.177 -11.490 329 2HD ARG 46 1HD ARG 46 3.243 -3.432 -10.375 330 HE ARG 46 HE ARG 46 4.981 -4.156 -11.687 331 1HH1 ARG 46 2HH1 ARG 46 1.971 -5.583 -12.807 332 2HH1 ARG 46 1HH1 ARG 46 2.710 -6.353 -14.184 333 1HH2 ARG 46 2HH2 ARG 46 5.928 -5.111 -13.511 334 2HH2 ARG 46 1HH2 ARG 46 4.965 -6.083 -14.587 335 H LEU 47 H LEU 47 4.349 -3.877 -6.799 336 HA LEU 47 HA LEU 47 3.358 -3.811 -4.180 337 1HB LEU 47 2HB LEU 47 5.218 -5.654 -4.097 338 2HB LEU 47 1HB LEU 47 6.333 -4.315 -4.249 339 HG LEU 47 HG LEU 47 5.356 -5.397 -1.897 340 1HD1 LEU 47 1HD1 LEU 47 6.942 -4.094 -0.980 341 2HD1 LEU 47 2HD1 LEU 47 7.361 -3.783 -2.669 342 3HD1 LEU 47 3HD1 LEU 47 6.360 -2.633 -1.781 343 1HD2 LEU 47 1HD2 LEU 47 3.219 -4.298 -2.101 344 2HD2 LEU 47 2HD2 LEU 47 4.157 -3.514 -0.830 345 3HD2 LEU 47 3HD2 LEU 47 4.005 -2.748 -2.413 346 H TYR 48 H TYR 48 5.117 -2.072 -3.000 347 HA TYR 48 HA TYR 48 5.440 0.079 -4.952 348 1HB TYR 48 2HB TYR 48 4.747 0.732 -2.654 349 2HB TYR 48 1HB TYR 48 6.200 -0.025 -2.006 350 HD1 TYR 48 1HD TYR 48 6.526 1.661 -5.165 351 HD2 TYR 48 2HD TYR 48 6.711 2.223 -0.938 352 HE1 TYR 48 1HE TYR 48 7.787 3.744 -5.508 353 HE2 TYR 48 2HE TYR 48 7.985 4.308 -1.283 354 HH TYR 48 HH TYR 48 8.105 6.073 -3.453 355 H TYR 49 H TYR 49 6.885 -0.814 -6.327 356 HA TYR 49 HA TYR 49 9.356 -1.837 -5.130 357 1HB TYR 49 2HB TYR 49 9.245 -3.709 -6.542 358 2HB TYR 49 1HB TYR 49 7.600 -3.468 -5.988 359 HD1 TYR 49 1HD TYR 49 5.914 -2.482 -7.556 360 HD2 TYR 49 2HD TYR 49 9.801 -3.648 -8.852 361 HE1 TYR 49 1HE TYR 49 5.118 -2.541 -9.876 362 HE2 TYR 49 2HE TYR 49 9.001 -3.713 -11.180 363 HH TYR 49 HH TYR 49 6.746 -2.334 -12.400 364 H LYS 50 H LYS 50 11.265 -1.768 -6.288 365 HA LYS 50 HA LYS 50 11.588 0.645 -7.807 366 1HB LYS 50 2HB LYS 50 13.331 -1.397 -6.553 367 2HB LYS 50 1HB LYS 50 14.004 -0.520 -7.915 368 1HG LYS 50 2HG LYS 50 12.890 0.704 -5.403 369 2HG LYS 50 1HG LYS 50 14.599 0.540 -5.813 370 1HD LYS 50 2HD LYS 50 14.106 1.911 -7.875 371 2HD LYS 50 1HD LYS 50 12.522 2.242 -7.171 372 1HE LYS 50 2HE LYS 50 14.429 2.733 -5.154 373 2HE LYS 50 1HE LYS 50 15.036 3.492 -6.628 374 1HZ LYS 50 1HZ LYS 50 13.713 5.155 -5.872 375 2HZ LYS 50 2HZ LYS 50 12.636 4.115 -5.077 376 3HZ LYS 50 3HZ LYS 50 12.547 4.305 -6.760 377 H LEU 51 H LEU 51 13.033 0.540 -9.773 378 HA LEU 51 HA LEU 51 11.870 -0.164 -12.007 379 1HB LEU 51 2HB LEU 51 14.726 -0.945 -12.054 380 2HB LEU 51 1HB LEU 51 13.831 0.079 -13.149 381 HG LEU 51 HG LEU 51 15.436 1.466 -12.152 382 1HD1 LEU 51 1HD1 LEU 51 14.080 3.153 -11.685 383 2HD1 LEU 51 2HD1 LEU 51 12.754 1.998 -11.815 384 3HD1 LEU 51 3HD1 LEU 51 13.456 2.362 -10.238 385 1HD2 LEU 51 1HD2 LEU 51 14.963 -0.189 -9.792 386 2HD2 LEU 51 2HD2 LEU 51 16.421 0.659 -10.319 387 3HD2 LEU 51 3HD2 LEU 51 15.166 1.528 -9.434 388 H GLY 52 H GLY 52 14.261 -2.436 -10.652 389 1HA GLY 52 1HA GLY 52 12.556 -4.623 -11.662 390 2HA GLY 52 2HA GLY 52 14.294 -4.634 -11.929 391 H ARG 53 H ARG 53 13.167 -3.323 -8.949 392 HA ARG 53 HA ARG 53 13.787 -5.854 -7.576 393 1HB ARG 53 2HB ARG 53 14.787 -3.136 -6.721 394 2HB ARG 53 1HB ARG 53 15.101 -4.665 -5.912 395 1HG ARG 53 2HG ARG 53 15.930 -5.084 -8.517 396 2HG ARG 53 1HG ARG 53 16.454 -3.443 -8.143 397 1HD ARG 53 2HD ARG 53 17.550 -4.267 -6.110 398 2HD ARG 53 1HD ARG 53 17.028 -5.907 -6.498 399 HE ARG 53 HE ARG 53 18.450 -5.787 -8.477 400 1HH1 ARG 53 2HH1 ARG 53 19.007 -3.475 -5.909 401 2HH1 ARG 53 1HH1 ARG 53 20.636 -3.114 -6.408 402 1HH2 ARG 53 2HH2 ARG 53 20.567 -5.290 -9.175 403 2HH2 ARG 53 1HH2 ARG 53 21.520 -4.140 -8.277 404 H LYS 54 H LYS 54 12.028 -6.431 -6.548 405 HA LYS 54 HA LYS 54 10.127 -4.454 -5.591 406 1HB LYS 54 2HB LYS 54 10.060 -7.465 -5.372 407 2HB LYS 54 1HB LYS 54 8.723 -6.365 -5.073 408 1HG LYS 54 2HG LYS 54 8.980 -5.643 -7.496 409 2HG LYS 54 1HG LYS 54 10.012 -7.063 -7.685 410 1HD LYS 54 2HD LYS 54 7.721 -7.572 -8.329 411 2HD LYS 54 1HD LYS 54 8.185 -8.489 -6.893 412 1HE LYS 54 2HE LYS 54 7.088 -6.003 -6.057 413 2HE LYS 54 1HE LYS 54 5.993 -6.721 -7.240 414 1HZ LYS 54 1HZ LYS 54 6.964 -7.943 -4.710 415 2HZ LYS 54 2HZ LYS 54 6.096 -8.798 -5.901 416 3HZ LYS 54 3HZ LYS 54 5.374 -7.491 -5.101 417 H LEU 55 H LEU 55 10.559 -3.507 -3.682 418 HA LEU 55 HA LEU 55 10.953 -5.174 -1.363 419 1HB LEU 55 2HB LEU 55 13.082 -4.590 -0.761 420 2HB LEU 55 1HB LEU 55 13.244 -4.684 -2.500 421 HG LEU 55 HG LEU 55 12.796 -2.083 -1.051 422 1HD1 LEU 55 1HD1 LEU 55 15.449 -2.234 -1.917 423 2HD1 LEU 55 2HD1 LEU 55 14.863 -2.239 -0.253 424 3HD1 LEU 55 3HD1 LEU 55 15.133 -3.764 -1.097 425 1HD2 LEU 55 1HD2 LEU 55 12.654 -2.723 -3.726 426 2HD2 LEU 55 2HD2 LEU 55 12.931 -1.113 -3.060 427 3HD2 LEU 55 3HD2 LEU 55 14.300 -2.113 -3.545 428 H CYS 56 H CYS 56 11.066 -3.893 0.632 429 HA CYS 56 HA CYS 56 8.792 -2.255 0.702 430 1HB CYS 56 2HB CYS 56 10.295 -2.138 3.124 431 2HB CYS 56 1HB CYS 56 8.853 -3.094 2.765 432 H ARG 57 H ARG 57 8.579 -0.093 1.521 433 HA ARG 57 HA ARG 57 10.239 1.731 0.224 434 1HB ARG 57 2HB ARG 57 8.067 2.478 0.521 435 2HB ARG 57 1HB ARG 57 8.021 1.991 2.206 436 1HG ARG 57 2HG ARG 57 7.995 4.413 1.980 437 2HG ARG 57 1HG ARG 57 9.453 3.869 2.807 438 1HD ARG 57 2HD ARG 57 10.616 5.078 1.348 439 2HD ARG 57 1HD ARG 57 10.144 3.917 0.110 440 HE ARG 57 HE ARG 57 8.064 5.747 0.349 441 1HH1 ARG 57 2HH1 ARG 57 11.441 5.730 -0.596 442 2HH1 ARG 57 1HH1 ARG 57 11.279 7.055 -1.701 443 1HH2 ARG 57 2HH2 ARG 57 7.856 7.516 -1.071 444 2HH2 ARG 57 1HH2 ARG 57 9.231 8.092 -1.964 445 H ARG 58 H ARG 58 9.851 1.433 3.763 446 HA ARG 58 HA ARG 58 11.939 3.228 4.328 447 1HB ARG 58 2HB ARG 58 10.699 1.076 6.046 448 2HB ARG 58 1HB ARG 58 11.841 2.271 6.648 449 1HG ARG 58 2HG ARG 58 9.856 3.243 7.219 450 2HG ARG 58 1HG ARG 58 10.136 3.967 5.634 451 1HD ARG 58 2HD ARG 58 8.325 3.025 4.781 452 2HD ARG 58 1HD ARG 58 8.777 1.442 5.405 453 HE ARG 58 HE ARG 58 7.384 3.462 7.047 454 1HH1 ARG 58 2HH1 ARG 58 7.726 0.177 5.863 455 2HH1 ARG 58 1HH1 ARG 58 6.457 -0.448 6.871 456 1HH2 ARG 58 2HH2 ARG 58 5.716 2.626 8.380 457 2HH2 ARG 58 1HH2 ARG 58 5.316 0.939 8.297 458 H ASP 59 H ASP 59 11.782 -0.196 3.988 459 HA ASP 59 HA ASP 59 14.336 -0.811 4.995 460 1HB ASP 59 2HB ASP 59 12.800 -2.550 3.066 461 2HB ASP 59 1HB ASP 59 13.817 -3.043 4.412 462 H TYR 60 H TYR 60 13.087 -0.008 1.838 463 HA TYR 60 HA TYR 60 15.440 -0.625 0.343 464 1HB TYR 60 2HB TYR 60 13.898 -0.266 -1.255 465 2HB TYR 60 1HB TYR 60 12.851 0.610 -0.152 466 HD1 TYR 60 1HD TYR 60 12.920 3.047 -0.037 467 HD2 TYR 60 2HD TYR 60 15.444 0.910 -2.717 468 HE1 TYR 60 1HE TYR 60 13.376 5.129 -1.265 469 HE2 TYR 60 2HE TYR 60 15.917 2.983 -3.935 470 HH TYR 60 HH TYR 60 14.812 6.105 -2.786 471 H LEU 61 H LEU 61 14.217 2.226 2.026 472 HA LEU 61 HA LEU 61 16.307 3.935 1.155 473 1HB LEU 61 2HB LEU 61 13.926 4.126 2.733 474 2HB LEU 61 1HB LEU 61 15.248 4.925 3.570 475 HG LEU 61 HG LEU 61 14.965 5.552 0.695 476 1HD1 LEU 61 1HD1 LEU 61 12.632 5.476 2.010 477 2HD1 LEU 61 2HD1 LEU 61 13.169 7.098 2.450 478 3HD1 LEU 61 3HD1 LEU 61 13.000 6.654 0.750 479 1HD2 LEU 61 1HD2 LEU 61 16.637 6.754 1.709 480 2HD2 LEU 61 2HD2 LEU 61 15.282 7.880 1.813 481 3HD2 LEU 61 3HD2 LEU 61 15.747 6.928 3.223 482 H ARG 62 H ARG 62 16.189 1.491 3.490 483 HA ARG 62 HA ARG 62 18.117 2.554 5.303 484 1HB ARG 62 2HB ARG 62 16.611 0.077 4.961 485 2HB ARG 62 1HB ARG 62 18.242 -0.187 5.553 486 1HG ARG 62 2HG ARG 62 16.451 1.841 6.830 487 2HG ARG 62 1HG ARG 62 16.361 0.133 7.261 488 1HD ARG 62 2HD ARG 62 17.881 0.815 8.811 489 2HD ARG 62 1HD ARG 62 18.982 0.430 7.489 490 HE ARG 62 HE ARG 62 19.480 2.661 7.279 491 1HH1 ARG 62 2HH1 ARG 62 16.676 2.310 9.360 492 2HH1 ARG 62 1HH1 ARG 62 16.664 3.986 9.828 493 1HH2 ARG 62 2HH2 ARG 62 19.462 4.840 7.873 494 2HH2 ARG 62 1HH2 ARG 62 18.259 5.434 8.989 495 H LEU 63 H LEU 63 18.272 0.999 2.228 496 HA LEU 63 HA LEU 63 21.179 0.669 2.578 497 1HB LEU 63 2HB LEU 63 20.723 -0.977 0.523 498 2HB LEU 63 1HB LEU 63 20.709 -1.492 2.196 499 HG LEU 63 HG LEU 63 18.086 -0.675 1.701 500 1HD1 LEU 63 1HD1 LEU 63 19.295 -1.246 -0.775 501 2HD1 LEU 63 2HD1 LEU 63 18.257 -2.616 -0.380 502 3HD1 LEU 63 3HD1 LEU 63 17.585 -0.987 -0.427 503 1HD2 LEU 63 1HD2 LEU 63 19.115 -3.493 1.521 504 2HD2 LEU 63 2HD2 LEU 63 19.015 -2.601 3.039 505 3HD2 LEU 63 3HD2 LEU 63 17.551 -2.937 2.116 506 H GLY 64 H GLY 64 18.662 1.306 0.123 507 1HA GLY 64 1HA GLY 64 20.693 2.885 -1.332 508 2HA GLY 64 2HA GLY 64 19.645 1.744 -2.153 509 H GLY 65 H GLY 65 18.607 3.880 0.432 510 1HA GLY 65 1HA GLY 65 16.556 4.985 -1.283 511 2HA GLY 65 2HA GLY 65 16.848 5.405 0.401 512 H SER 66 H SER 66 18.528 6.884 0.889 513 HA SER 66 HA SER 66 19.185 8.681 -1.329 514 1HB SER 66 2HB SER 66 19.956 9.927 1.040 515 2HB SER 66 1HB SER 66 18.480 10.250 0.129 516 HG SER 66 HG SER 66 17.671 9.697 2.044 517 H GLY 67 H GLY 67 21.217 9.343 1.215 518 1HA GLY 67 1HA GLY 67 23.285 7.512 0.152 519 2HA GLY 67 2HA GLY 67 23.624 9.138 0.730 520 H GLY 68 H GLY 68 21.344 8.019 2.752 521 1HA GLY 68 1HA GLY 68 21.351 7.045 4.848 522 2HA GLY 68 2HA GLY 68 22.918 6.341 4.470 523 H HIS 69 H HIS 69 24.469 6.999 5.757 524 HA HIS 69 HA HIS 69 25.796 8.274 7.075 525 1HB HIS 69 2HB HIS 69 24.777 10.181 5.043 526 2HB HIS 69 1HB HIS 69 25.560 10.872 6.459 527 HD2 HIS 69 2HD HIS 69 26.447 8.410 3.529 528 HE1 HIS 69 1HE HIS 69 29.986 10.117 5.100 529 HE2 HIS 69 2HE HIS 69 28.997 8.774 3.191 530 H MET 70 H MET 70 23.784 11.074 6.899 531 HA MET 70 HA MET 70 23.329 10.938 9.753 532 1HB MET 70 2HB MET 70 22.308 13.071 7.885 533 2HB MET 70 1HB MET 70 22.650 13.205 9.605 534 1HG MET 70 2HG MET 70 25.051 12.879 9.099 535 2HG MET 70 1HG MET 70 24.653 12.907 7.382 536 1HE MET 70 1HE MET 70 26.313 15.159 9.867 537 2HE MET 70 2HE MET 70 26.795 14.569 8.277 538 3HE MET 70 3HE MET 70 26.505 16.292 8.528 539 H GLY 71 H GLY 71 21.625 10.241 6.862 540 1HA GLY 71 1HA GLY 71 19.603 9.063 6.740 541 2HA GLY 71 2HA GLY 71 19.290 9.465 8.423 542 H SER 72 H SER 72 18.876 10.387 5.134 543 HA SER 72 HA SER 72 17.141 12.602 6.004 544 1HB SER 72 2HB SER 72 18.325 12.936 3.341 545 2HB SER 72 1HB SER 72 18.170 14.099 4.660 546 HG SER 72 HG SER 72 19.945 12.301 5.422 547 H GLY 73 H GLY 73 15.132 12.447 5.297 548 1HA GLY 73 1HA GLY 73 14.292 11.607 2.765 549 2HA GLY 73 2HA GLY 73 14.220 10.216 3.843 550 H GLY 74 H GLY 74 11.877 10.838 2.900 551 1HA GLY 74 1HA GLY 74 9.837 11.024 4.269 552 2HA GLY 74 2HA GLY 74 10.584 12.414 5.047 553 H ASP 75 H ASP 75 8.136 12.817 4.085 554 HA ASP 75 HA ASP 75 8.621 14.597 1.818 555 1HB ASP 75 2HB ASP 75 7.867 12.511 0.792 556 2HB ASP 75 1HB ASP 75 6.459 12.480 1.847 557 H VAL 76 H VAL 76 7.616 16.482 2.064 558 HA VAL 76 HA VAL 76 5.772 16.826 4.296 559 HB VAL 76 HB VAL 76 6.831 18.911 2.376 560 1HG1 VAL 76 1HG1 VAL 76 5.989 20.549 3.848 561 2HG1 VAL 76 2HG1 VAL 76 4.683 19.384 3.637 562 3HG1 VAL 76 3HG1 VAL 76 5.656 19.359 5.107 563 1HG2 VAL 76 1HG2 VAL 76 8.499 17.635 3.894 564 2HG2 VAL 76 2HG2 VAL 76 8.560 19.396 3.837 565 3HG2 VAL 76 3HG2 VAL 76 7.777 18.584 5.194 566 H MET 77 H MET 77 3.709 16.399 3.944 567 HA MET 77 HA MET 77 2.506 15.962 1.525 568 1HB MET 77 2HB MET 77 1.528 16.458 4.266 569 2HB MET 77 1HB MET 77 0.350 16.600 2.964 570 1HG MET 77 2HG MET 77 1.833 14.284 2.448 571 2HG MET 77 1HG MET 77 1.453 14.264 4.158 572 1HE MET 77 1HE MET 77 -1.771 12.523 4.072 573 2HE MET 77 2HE MET 77 -0.121 11.971 3.788 574 3HE MET 77 3HE MET 77 -0.443 13.196 5.018 575 H VAL 78 H VAL 78 0.932 17.071 0.308 576 HA VAL 78 HA VAL 78 -0.101 18.815 -0.701 577 HB VAL 78 HB VAL 78 0.763 20.387 1.717 578 1HG1 VAL 78 1HG1 VAL 78 0.543 21.826 -0.306 579 2HG1 VAL 78 2HG1 VAL 78 -1.132 21.289 -0.448 580 3HG1 VAL 78 3HG1 VAL 78 -0.615 22.203 0.970 581 1HG2 VAL 78 1HG2 VAL 78 -1.030 19.495 2.673 582 2HG2 VAL 78 2HG2 VAL 78 -2.045 20.202 1.417 583 3HG2 VAL 78 3HG2 VAL 78 -1.376 18.585 1.203 584 H VAL 79 H VAL 79 2.892 19.983 0.725 585 HA VAL 79 HA VAL 79 3.502 21.636 -1.537 586 HB VAL 79 HB VAL 79 5.550 20.850 0.509 587 1HG1 VAL 79 1HG1 VAL 79 6.655 22.707 -0.151 588 2HG1 VAL 79 2HG1 VAL 79 5.704 22.488 -1.620 589 3HG1 VAL 79 3HG1 VAL 79 5.174 23.635 -0.389 590 1HG2 VAL 79 1HG2 VAL 79 4.732 22.594 2.005 591 2HG2 VAL 79 2HG2 VAL 79 3.373 22.901 0.923 592 3HG2 VAL 79 3HG2 VAL 79 3.500 21.356 1.763 593 H GLY 80 H GLY 80 4.487 18.457 -0.410 594 1HA GLY 80 1HA GLY 80 5.437 16.732 -1.617 595 2HA GLY 80 2HA GLY 80 5.421 17.764 -3.041 596 H GLU 81 H GLU 81 6.938 18.103 0.144 597 HA GLU 81 HA GLU 81 9.478 18.649 -1.226 598 1HB GLU 81 2HB GLU 81 8.403 19.484 1.462 599 2HB GLU 81 1HB GLU 81 10.109 19.630 1.050 600 1HG GLU 81 2HG GLU 81 8.628 20.762 -1.072 601 2HG GLU 81 1HG GLU 81 7.963 21.390 0.437 602 HA PRO 82 HA PRO 82 10.446 14.664 0.586 603 1HB PRO 82 2HB PRO 82 12.222 13.889 -1.251 604 2HB PRO 82 1HB PRO 82 10.493 13.955 -1.617 605 1HG PRO 82 2HG PRO 82 12.665 15.862 -2.361 606 2HG PRO 82 1HG PRO 82 11.265 15.331 -3.308 607 1HD PRO 82 2HD PRO 82 11.447 17.719 -1.889 608 2HD PRO 82 1HD PRO 82 9.940 16.964 -2.444 609 H THR 83 H THR 83 12.758 13.508 0.705 610 HA THR 83 HA THR 83 14.646 13.388 1.969 611 HB THR 83 HB THR 83 15.881 15.727 0.733 612 HG1 THR 83 1HG THR 83 15.090 15.491 -1.222 613 1HG2 THR 83 1HG2 THR 83 17.262 13.780 -0.247 614 2HG2 THR 83 2HG2 THR 83 16.301 12.758 0.822 615 3HG2 THR 83 3HG2 THR 83 17.310 14.037 1.498 616 H LEU 84 H LEU 84 13.218 14.291 3.824 617 HA LEU 84 HA LEU 84 14.056 16.911 4.749 618 1HB LEU 84 2HB LEU 84 12.190 14.809 5.800 619 2HB LEU 84 1HB LEU 84 12.720 16.129 6.825 620 HG LEU 84 HG LEU 84 11.799 17.231 4.363 621 1HD1 LEU 84 1HD1 LEU 84 10.569 14.862 4.619 622 2HD1 LEU 84 2HD1 LEU 84 9.511 15.855 5.620 623 3HD1 LEU 84 3HD1 LEU 84 9.790 16.289 3.935 624 1HD2 LEU 84 1HD2 LEU 84 9.987 18.045 6.094 625 2HD2 LEU 84 2HD2 LEU 84 11.121 17.358 7.257 626 3HD2 LEU 84 3HD2 LEU 84 11.646 18.637 6.160 627 H MET 85 H MET 85 15.300 17.294 6.574 628 HA MET 85 HA MET 85 17.472 15.508 6.885 629 1HB MET 85 2HB MET 85 17.208 18.146 7.220 630 2HB MET 85 1HB MET 85 17.062 17.650 8.899 631 1HG MET 85 2HG MET 85 19.279 16.345 7.578 632 2HG MET 85 1HG MET 85 19.402 18.102 7.504 633 1HE MET 85 1HE MET 85 21.843 16.923 9.284 634 2HE MET 85 2HE MET 85 21.253 15.877 10.576 635 3HE MET 85 3HE MET 85 20.859 15.511 8.896 636 H GLY 86 H GLY 86 14.469 15.663 8.487 637 1HA GLY 86 1HA GLY 86 15.191 14.744 11.053 638 2HA GLY 86 2HA GLY 86 13.613 14.552 10.305 639 H GLY 87 H GLY 87 14.822 13.077 8.017 640 1HA GLY 87 1HA GLY 87 15.610 10.968 7.471 641 2HA GLY 87 2HA GLY 87 16.019 10.719 9.163 642 H GLU 88 H GLU 88 12.848 11.783 8.786 643 HA GLU 88 HA GLU 88 11.861 9.085 9.326 644 1HB GLU 88 2HB GLU 88 9.895 11.263 9.290 645 2HB GLU 88 1HB GLU 88 10.185 10.031 10.506 646 1HG GLU 88 2HG GLU 88 11.702 11.319 11.650 647 2HG GLU 88 1HG GLU 88 12.105 12.290 10.235 648 H PHE 89 H PHE 89 12.052 8.241 7.219 649 HA PHE 89 HA PHE 89 10.845 9.554 4.988 650 1HB PHE 89 2HB PHE 89 11.130 6.712 4.579 651 2HB PHE 89 1HB PHE 89 11.916 8.047 3.749 652 HD1 PHE 89 1HD PHE 89 12.322 5.364 6.080 653 HD2 PHE 89 2HD PHE 89 13.986 9.054 4.772 654 HE1 PHE 89 1HE PHE 89 14.468 4.758 7.117 655 HE2 PHE 89 2HE PHE 89 16.138 8.457 5.803 656 HZ PHE 89 HZ PHE 89 16.381 6.305 6.977 657 H GLY 90 H GLY 90 8.990 9.078 3.930 658 1HA GLY 90 1HA GLY 90 7.172 7.058 4.430 659 2HA GLY 90 2HA GLY 90 6.748 8.366 5.532 660 H ASP 91 H ASP 91 6.357 7.150 2.399 661 HA ASP 91 HA ASP 91 5.953 9.688 1.119 662 1HB ASP 91 2HB ASP 91 4.926 8.214 -0.732 663 2HB ASP 91 1HB ASP 91 6.639 8.037 -0.391 664 H GLU 92 H GLU 92 3.525 7.196 0.797 665 HA GLU 92 HA GLU 92 1.541 8.995 2.047 666 1HB GLU 92 2HB GLU 92 1.036 7.222 -0.349 667 2HB GLU 92 1HB GLU 92 -0.077 8.381 0.364 668 1HG GLU 92 2HG GLU 92 2.297 9.765 -0.321 669 2HG GLU 92 1HG GLU 92 1.821 8.777 -1.701 670 H ASP 93 H ASP 93 2.132 5.686 0.939 671 HA ASP 93 HA ASP 93 1.126 4.670 3.487 672 1HB ASP 93 2HB ASP 93 -0.685 4.622 1.598 673 2HB ASP 93 1HB ASP 93 0.274 3.299 0.945 674 H GLU 94 H GLU 94 3.674 5.060 2.078 675 HA GLU 94 HA GLU 94 5.633 4.051 1.590 676 1HB GLU 94 2HB GLU 94 4.584 1.465 2.705 677 2HB GLU 94 1HB GLU 94 6.252 1.990 2.552 678 1HG GLU 94 2HG GLU 94 4.231 2.618 4.631 679 2HG GLU 94 1HG GLU 94 5.949 2.274 4.792 680 H ARG 95 H ARG 95 3.651 4.280 -0.238 681 HA ARG 95 HA ARG 95 4.221 2.191 -2.135 682 1HB ARG 95 2HB ARG 95 2.075 1.882 -0.399 683 2HB ARG 95 1HB ARG 95 1.351 2.554 -1.847 684 1HG ARG 95 2HG ARG 95 1.271 0.461 -2.607 685 2HG ARG 95 1HG ARG 95 3.020 0.583 -2.820 686 1HD ARG 95 2HD ARG 95 2.111 -1.409 -1.487 687 2HD ARG 95 1HD ARG 95 3.466 -0.506 -0.809 688 HE ARG 95 HE ARG 95 0.808 0.299 0.063 689 1HH1 ARG 95 2HH1 ARG 95 3.751 -1.468 0.773 690 2HH1 ARG 95 1HH1 ARG 95 3.437 -1.559 2.481 691 1HH2 ARG 95 2HH2 ARG 95 0.405 0.205 2.313 692 2HH2 ARG 95 1HH2 ARG 95 1.538 -0.626 3.342 693 H LEU 96 H LEU 96 3.159 2.676 -4.207 694 HA LEU 96 HA LEU 96 2.958 5.543 -4.693 695 1HB LEU 96 2HB LEU 96 3.589 5.072 -6.818 696 2HB LEU 96 1HB LEU 96 4.200 3.611 -6.058 697 HG LEU 96 HG LEU 96 1.566 3.003 -6.771 698 1HD1 LEU 96 1HD1 LEU 96 1.108 3.865 -8.809 699 2HD1 LEU 96 2HD1 LEU 96 2.124 5.183 -8.220 700 3HD1 LEU 96 3HD1 LEU 96 2.808 3.945 -9.277 701 1HD2 LEU 96 1HD2 LEU 96 2.607 1.207 -7.593 702 2HD2 LEU 96 2HD2 LEU 96 3.598 2.177 -8.684 703 3HD2 LEU 96 3HD2 LEU 96 4.096 1.946 -7.007 704 H ILE 97 H ILE 97 0.997 3.827 -3.240 705 HA ILE 97 HA ILE 97 -1.378 4.111 -4.940 706 HB ILE 97 HB ILE 97 -1.108 2.365 -2.497 707 1HG1 ILE 97 2HG1 ILE 97 -0.462 1.752 -5.375 708 2HG1 ILE 97 1HG1 ILE 97 0.563 1.532 -3.960 709 1HG2 ILE 97 1HG2 ILE 97 -3.376 2.780 -3.104 710 2HG2 ILE 97 2HG2 ILE 97 -3.044 2.393 -4.793 711 3HG2 ILE 97 3HG2 ILE 97 -2.966 1.126 -3.567 712 1HD1 ILE 97 1HD1 ILE 97 -0.562 -0.516 -5.058 713 2HD1 ILE 97 2HD1 ILE 97 -0.538 -0.378 -3.300 714 3HD1 ILE 97 3HD1 ILE 97 -2.001 0.029 -4.195 715 H THR 98 H THR 98 -3.396 4.466 -3.708 716 HA THR 98 HA THR 98 -3.035 6.194 -1.365 717 HB THR 98 HB THR 98 -3.845 7.321 -3.526 718 HG1 THR 98 1HG THR 98 -4.173 8.032 -1.226 719 1HG2 THR 98 1HG2 THR 98 -6.272 5.676 -2.855 720 2HG2 THR 98 2HG2 THR 98 -5.394 5.754 -4.383 721 3HG2 THR 98 3HG2 THR 98 -6.344 7.138 -3.840 722 H ARG 99 H ARG 99 -4.677 5.974 0.242 723 HA ARG 99 HA ARG 99 -5.760 3.290 0.392 724 1HB ARG 99 2HB ARG 99 -5.916 5.641 2.286 725 2HB ARG 99 1HB ARG 99 -6.560 4.044 2.636 726 1HG ARG 99 2HG ARG 99 -3.668 4.549 2.004 727 2HG ARG 99 1HG ARG 99 -4.323 4.576 3.642 728 1HD ARG 99 2HD ARG 99 -4.724 2.221 1.826 729 2HD ARG 99 1HD ARG 99 -3.263 2.399 2.797 730 HE ARG 99 HE ARG 99 -5.959 1.843 3.763 731 1HH1 ARG 99 2HH1 ARG 99 -2.605 2.562 4.551 732 2HH1 ARG 99 1HH1 ARG 99 -2.765 1.995 6.191 733 1HH2 ARG 99 2HH2 ARG 99 -6.150 1.119 5.880 734 2HH2 ARG 99 1HH2 ARG 99 -4.783 1.206 6.955 735 H LEU 100 H LEU 100 -7.570 2.884 -0.715 736 HA LEU 100 HA LEU 100 -9.572 5.020 -0.951 737 1HB LEU 100 2HB LEU 100 -8.399 3.621 -2.922 738 2HB LEU 100 1HB LEU 100 -9.777 2.581 -2.613 739 HG LEU 100 HG LEU 100 -10.898 5.106 -2.768 740 1HD1 LEU 100 1HD1 LEU 100 -9.549 6.439 -3.916 741 2HD1 LEU 100 2HD1 LEU 100 -8.367 5.146 -4.117 742 3HD1 LEU 100 3HD1 LEU 100 -9.680 5.330 -5.280 743 1HD2 LEU 100 1HD2 LEU 100 -11.114 4.005 -5.309 744 2HD2 LEU 100 2HD2 LEU 100 -10.870 2.621 -4.243 745 3HD2 LEU 100 3HD2 LEU 100 -12.200 3.740 -3.945 746 H GLU 101 H GLU 101 -11.811 4.002 -1.411 747 HA GLU 101 HA GLU 101 -12.430 2.205 0.831 748 1HB GLU 101 2HB GLU 101 -14.664 3.426 -0.648 749 2HB GLU 101 1HB GLU 101 -14.410 3.275 1.086 750 1HG GLU 101 2HG GLU 101 -13.001 5.192 1.121 751 2HG GLU 101 1HG GLU 101 -12.966 5.267 -0.637 752 H ASN 102 H ASN 102 -13.114 0.201 0.460 753 HA ASN 102 HA ASN 102 -13.040 -0.816 -2.218 754 1HB ASN 102 2HB ASN 102 -12.170 -2.072 -0.256 755 2HB ASN 102 1HB ASN 102 -13.825 -2.238 0.335 756 1HD2 ASN 102 1HD2 ASN 102 -14.853 -4.032 -0.212 757 2HD2 ASN 102 2HD2 ASN 102 -14.434 -5.069 -1.546 758 H THR 103 H THR 103 -15.506 -1.870 0.061 759 HA THR 103 HA THR 103 -17.525 -1.690 -1.984 760 HB THR 103 HB THR 103 -18.167 -2.229 0.892 761 HG1 THR 103 1HG THR 103 -17.435 -4.369 0.618 762 1HG2 THR 103 1HG2 THR 103 -20.094 -2.416 -0.344 763 2HG2 THR 103 2HG2 THR 103 -19.501 -4.073 -0.441 764 3HG2 THR 103 3HG2 THR 103 -19.245 -2.963 -1.789 765 H GLN 104 H GLN 104 -17.876 -0.638 1.376 766 HA GLN 104 HA GLN 104 -18.078 2.117 0.644 767 1HB GLN 104 2HB GLN 104 -20.454 2.083 1.943 768 2HB GLN 104 1HB GLN 104 -20.297 2.080 0.194 769 1HG GLN 104 2HG GLN 104 -20.179 -0.591 0.801 770 2HG GLN 104 1HG GLN 104 -21.326 0.027 1.988 771 1HE2 GLN 104 1HE2 GLN 104 -23.352 -0.019 1.358 772 2HE2 GLN 104 2HE2 GLN 104 -23.925 0.109 -0.277 773 H PHE 105 H PHE 105 -19.407 0.075 3.229 774 HA PHE 105 HA PHE 105 -17.465 0.586 5.140 775 1HB PHE 105 2HB PHE 105 -19.230 2.760 4.731 776 2HB PHE 105 1HB PHE 105 -19.764 1.961 6.199 777 HD1 PHE 105 1HD PHE 105 -16.321 1.379 5.945 778 HD2 PHE 105 2HD PHE 105 -19.128 4.452 6.855 779 HE1 PHE 105 1HE PHE 105 -14.592 2.593 7.198 780 HE2 PHE 105 2HE PHE 105 -17.399 5.663 8.111 781 HZ PHE 105 HZ PHE 105 -15.126 4.738 8.281 782 H ASP 106 H ASP 106 -17.721 -1.051 6.515 783 HA ASP 106 HA ASP 106 -19.790 -2.905 6.288 784 1HB ASP 106 2HB ASP 106 -17.400 -2.690 7.793 785 2HB ASP 106 1HB ASP 106 -18.693 -3.057 8.931 786 H ALA 107 H ALA 107 -19.289 -0.285 8.562 787 HA ALA 107 HA ALA 107 -21.992 -0.662 9.641 788 1HB ALA 107 1HB ALA 107 -21.324 0.381 11.512 789 2HB ALA 107 2HB ALA 107 -19.696 0.046 10.925 790 3HB ALA 107 3HB ALA 107 -20.435 1.619 10.624 791 H ALA 108 H ALA 108 -22.338 -0.110 7.169 792 HA ALA 108 HA ALA 108 -22.177 2.616 6.392 793 1HB ALA 108 1HB ALA 108 -23.687 1.910 4.528 794 2HB ALA 108 2HB ALA 108 -22.215 0.952 4.691 795 3HB ALA 108 3HB ALA 108 -23.753 0.309 5.268 796 H ASN 109 H ASN 109 -24.332 0.949 8.406 797 HA ASN 109 HA ASN 109 -26.729 2.356 7.922 798 1HB ASN 109 2HB ASN 109 -26.343 0.216 9.316 799 2HB ASN 109 1HB ASN 109 -25.929 1.314 10.629 800 1HD2 ASN 109 1HD2 ASN 109 -27.540 1.678 11.953 801 2HD2 ASN 109 2HD2 ASN 109 -29.224 1.761 11.522 802 H GLY 110 H GLY 110 -23.910 3.042 9.890 803 1HA GLY 110 1HA GLY 110 -25.142 5.553 10.811 804 2HA GLY 110 2HA GLY 110 -23.702 4.816 11.500 805 H ILE 111 H ILE 111 -22.401 6.629 11.272 806 HA ILE 111 HA ILE 111 -21.861 7.442 8.493 807 HB ILE 111 HB ILE 111 -20.905 9.053 10.822 808 1HG1 ILE 111 2HG1 ILE 111 -23.374 10.107 9.772 809 2HG1 ILE 111 1HG1 ILE 111 -23.631 8.478 10.391 810 1HG2 ILE 111 1HG2 ILE 111 -20.655 10.754 9.304 811 2HG2 ILE 111 2HG2 ILE 111 -20.372 9.353 8.270 812 3HG2 ILE 111 3HG2 ILE 111 -21.943 10.156 8.257 813 1HD1 ILE 111 1HD1 ILE 111 -22.778 10.937 11.837 814 2HD1 ILE 111 2HD1 ILE 111 -24.039 9.771 12.239 815 3HD1 ILE 111 3HD1 ILE 111 -22.342 9.348 12.464 816 H ASP 112 H ASP 112 -20.450 6.485 11.543 817 HA ASP 112 HA ASP 112 -17.856 6.066 10.203 818 1HB ASP 112 2HB ASP 112 -18.075 7.465 12.400 819 2HB ASP 112 1HB ASP 112 -18.238 5.894 13.177 820 H ASP 113 H ASP 113 -16.700 4.056 10.871 821 HA ASP 113 HA ASP 113 -18.565 1.845 10.745 822 1HB ASP 113 2HB ASP 113 -16.312 2.132 9.429 823 2HB ASP 113 1HB ASP 113 -15.604 1.446 10.889 824 H GLU 114 H GLU 114 -19.474 1.480 12.650 825 HA GLU 114 HA GLU 114 -17.711 0.791 14.895 826 1HB GLU 114 2HB GLU 114 -19.142 2.945 15.118 827 2HB GLU 114 1HB GLU 114 -20.507 1.848 15.265 828 1HG GLU 114 2HG GLU 114 -18.669 0.846 17.065 829 2HG GLU 114 1HG GLU 114 -18.499 2.593 17.216 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -20.840 -4.243 -11.746 2 2H GLY 1 2H GLY 1 -19.628 -3.063 -11.797 3 3H GLY 1 3H GLY 1 -19.570 -4.286 -10.627 4 1HA GLY 1 2HA GLY 1 -19.694 -5.344 -13.276 5 2HA GLY 1 1HA GLY 1 -18.290 -4.310 -13.030 6 H SER 2 H SER 2 -17.078 -6.328 -13.314 7 HA SER 2 HA SER 2 -17.273 -8.451 -11.463 8 1HB SER 2 2HB SER 2 -14.610 -8.268 -12.444 9 2HB SER 2 1HB SER 2 -15.898 -9.345 -12.991 10 HG SER 2 HG SER 2 -14.881 -7.074 -14.157 11 H LEU 3 H LEU 3 -15.751 -9.021 -9.796 12 HA LEU 3 HA LEU 3 -15.112 -6.782 -8.109 13 1HB LEU 3 2HB LEU 3 -14.650 -9.747 -7.799 14 2HB LEU 3 1HB LEU 3 -14.236 -8.564 -6.572 15 HG LEU 3 HG LEU 3 -17.029 -8.515 -7.548 16 1HD1 LEU 3 1HD1 LEU 3 -15.837 -10.813 -6.043 17 2HD1 LEU 3 2HD1 LEU 3 -17.522 -10.346 -5.818 18 3HD1 LEU 3 3HD1 LEU 3 -16.948 -10.834 -7.412 19 1HD2 LEU 3 1HD2 LEU 3 -15.754 -7.193 -5.626 20 2HD2 LEU 3 2HD2 LEU 3 -17.462 -7.621 -5.508 21 3HD2 LEU 3 3HD2 LEU 3 -16.247 -8.604 -4.691 22 H LEU 4 H LEU 4 -12.822 -7.204 -6.877 23 HA LEU 4 HA LEU 4 -10.817 -7.054 -9.028 24 1HB LEU 4 2HB LEU 4 -10.365 -6.017 -6.257 25 2HB LEU 4 1HB LEU 4 -9.599 -5.529 -7.761 26 HG LEU 4 HG LEU 4 -12.451 -4.981 -7.784 27 1HD1 LEU 4 1HD1 LEU 4 -10.760 -3.811 -5.587 28 2HD1 LEU 4 2HD1 LEU 4 -12.266 -3.090 -6.155 29 3HD1 LEU 4 3HD1 LEU 4 -12.276 -4.697 -5.428 30 1HD2 LEU 4 1HD2 LEU 4 -10.139 -4.053 -8.952 31 2HD2 LEU 4 2HD2 LEU 4 -11.733 -3.303 -9.066 32 3HD2 LEU 4 3HD2 LEU 4 -10.584 -2.749 -7.845 33 H THR 5 H THR 5 -8.672 -7.871 -8.523 34 HA THR 5 HA THR 5 -8.710 -9.943 -6.436 35 HB THR 5 HB THR 5 -6.865 -10.894 -8.246 36 HG1 THR 5 1HG THR 5 -8.284 -9.277 -9.674 37 1HG2 THR 5 1HG2 THR 5 -9.089 -12.358 -8.821 38 2HG2 THR 5 2HG2 THR 5 -9.540 -11.610 -7.290 39 3HG2 THR 5 3HG2 THR 5 -8.073 -12.588 -7.395 40 H CYS 6 H CYS 6 -7.118 -9.812 -5.040 41 HA CYS 6 HA CYS 6 -5.238 -7.672 -5.266 42 1HB CYS 6 2HB CYS 6 -5.676 -7.706 -3.073 43 2HB CYS 6 1HB CYS 6 -6.390 -9.310 -3.178 44 H GLY 7 H GLY 7 -3.086 -7.772 -5.577 45 1HA GLY 7 1HA GLY 7 -2.093 -10.124 -6.892 46 2HA GLY 7 2HA GLY 7 -1.217 -8.621 -6.638 47 H GLY 8 H GLY 8 -2.245 -9.250 -3.675 48 1HA GLY 8 1HA GLY 8 0.317 -10.341 -2.885 49 2HA GLY 8 2HA GLY 8 -0.950 -9.758 -1.817 50 H CYS 9 H CYS 9 -3.081 -11.255 -2.275 51 HA CYS 9 HA CYS 9 -2.092 -13.971 -1.710 52 1HB CYS 9 2HB CYS 9 -3.966 -14.279 -0.253 53 2HB CYS 9 1HB CYS 9 -3.210 -12.745 0.158 54 H GLN 10 H GLN 10 -4.213 -12.087 -3.665 55 HA GLN 10 HA GLN 10 -5.418 -12.535 -5.522 56 1HB GLN 10 2HB GLN 10 -3.501 -14.741 -5.391 57 2HB GLN 10 1HB GLN 10 -4.959 -15.129 -6.294 58 1HG GLN 10 2HG GLN 10 -3.602 -12.553 -6.864 59 2HG GLN 10 1HG GLN 10 -2.852 -14.039 -7.441 60 1HE2 GLN 10 1HE2 GLN 10 -4.475 -15.563 -8.520 61 2HE2 GLN 10 2HE2 GLN 10 -5.548 -14.815 -9.667 62 H GLN 11 H GLN 11 -6.410 -13.302 -2.778 63 HA GLN 11 HA GLN 11 -8.207 -15.507 -3.329 64 1HB GLN 11 2HB GLN 11 -8.800 -15.427 -1.066 65 2HB GLN 11 1HB GLN 11 -7.100 -14.983 -1.077 66 1HG GLN 11 2HG GLN 11 -7.502 -12.952 -0.252 67 2HG GLN 11 1HG GLN 11 -8.897 -12.699 -1.296 68 1HE2 GLN 11 1HE2 GLN 11 -8.211 -12.429 1.692 69 2HE2 GLN 11 2HE2 GLN 11 -9.603 -13.112 2.473 70 H ASN 12 H ASN 12 -8.250 -12.547 -4.453 71 HA ASN 12 HA ASN 12 -9.832 -11.235 -5.434 72 1HB ASN 12 2HB ASN 12 -11.183 -13.163 -5.972 73 2HB ASN 12 1HB ASN 12 -11.782 -13.265 -4.321 74 1HD2 ASN 12 1HD2 ASN 12 -13.481 -12.026 -3.703 75 2HD2 ASN 12 2HD2 ASN 12 -14.354 -10.986 -4.785 76 H ILE 13 H ILE 13 -10.631 -9.317 -4.813 77 HA ILE 13 HA ILE 13 -10.796 -8.842 -1.939 78 HB ILE 13 HB ILE 13 -10.942 -6.730 -4.060 79 1HG1 ILE 13 2HG1 ILE 13 -8.344 -7.390 -2.760 80 2HG1 ILE 13 1HG1 ILE 13 -8.882 -8.419 -4.080 81 1HG2 ILE 13 1HG2 ILE 13 -10.823 -5.276 -2.372 82 2HG2 ILE 13 2HG2 ILE 13 -11.185 -6.642 -1.317 83 3HG2 ILE 13 3HG2 ILE 13 -9.510 -6.165 -1.598 84 1HD1 ILE 13 1HD1 ILE 13 -8.583 -6.804 -5.643 85 2HD1 ILE 13 2HD1 ILE 13 -8.938 -5.492 -4.517 86 3HD1 ILE 13 3HD1 ILE 13 -7.365 -6.294 -4.470 87 H GLY 14 H GLY 14 -12.745 -9.327 -1.169 88 1HA GLY 14 1HA GLY 14 -15.102 -8.198 -2.569 89 2HA GLY 14 2HA GLY 14 -15.139 -9.694 -1.640 90 H ASP 15 H ASP 15 -13.205 -7.244 -0.349 91 HA ASP 15 HA ASP 15 -14.857 -7.019 1.982 92 1HB ASP 15 2HB ASP 15 -12.219 -5.833 1.154 93 2HB ASP 15 1HB ASP 15 -13.047 -5.262 2.602 94 H ARG 16 H ARG 16 -14.738 -4.512 2.868 95 HA ARG 16 HA ARG 16 -16.406 -3.048 0.956 96 1HB ARG 16 2HB ARG 16 -16.673 -1.514 3.081 97 2HB ARG 16 1HB ARG 16 -17.595 -2.999 2.922 98 1HG ARG 16 2HG ARG 16 -16.744 -3.767 4.813 99 2HG ARG 16 1HG ARG 16 -15.102 -3.571 4.194 100 1HD ARG 16 2HD ARG 16 -16.125 -1.000 4.842 101 2HD ARG 16 1HD ARG 16 -16.431 -2.075 6.206 102 HE ARG 16 HE ARG 16 -13.779 -2.416 5.305 103 1HH1 ARG 16 2HH1 ARG 16 -15.808 -0.147 7.048 104 2HH1 ARG 16 1HH1 ARG 16 -14.476 0.576 7.905 105 1HH2 ARG 16 2HH2 ARG 16 -12.031 -1.493 6.463 106 2HH2 ARG 16 1HH2 ARG 16 -12.341 -0.209 7.602 107 H TYR 17 H TYR 17 -13.315 -2.992 2.502 108 HA TYR 17 HA TYR 17 -12.682 -0.508 1.053 109 1HB TYR 17 2HB TYR 17 -12.897 -0.600 3.798 110 2HB TYR 17 1HB TYR 17 -11.183 -0.913 3.554 111 HD1 TYR 17 1HD TYR 17 -13.425 1.248 1.541 112 HD2 TYR 17 2HD TYR 17 -10.179 1.087 4.285 113 HE1 TYR 17 1HE TYR 17 -13.069 3.658 1.243 114 HE2 TYR 17 2HE TYR 17 -9.811 3.504 3.992 115 HH TYR 17 HH TYR 17 -11.907 5.426 1.839 116 H PHE 18 H PHE 18 -10.554 -0.454 0.189 117 HA PHE 18 HA PHE 18 -8.758 -2.628 0.785 118 1HB PHE 18 2HB PHE 18 -8.716 -3.721 -1.276 119 2HB PHE 18 1HB PHE 18 -10.425 -3.496 -0.946 120 HD1 PHE 18 1HD PHE 18 -7.945 -3.262 -3.365 121 HD2 PHE 18 2HD PHE 18 -11.433 -1.244 -1.987 122 HE1 PHE 18 1HE PHE 18 -8.203 -2.206 -5.570 123 HE2 PHE 18 2HE PHE 18 -11.698 -0.194 -4.191 124 HZ PHE 18 HZ PHE 18 -10.082 -0.670 -5.984 125 H LEU 19 H LEU 19 -6.855 -2.555 -0.855 126 HA LEU 19 HA LEU 19 -6.118 0.266 -1.270 127 1HB LEU 19 2HB LEU 19 -4.750 -1.918 0.197 128 2HB LEU 19 1HB LEU 19 -3.733 -0.892 -0.793 129 HG LEU 19 HG LEU 19 -5.612 0.253 1.255 130 1HD1 LEU 19 1HD1 LEU 19 -4.007 -1.434 2.238 131 2HD1 LEU 19 2HD1 LEU 19 -2.711 -0.348 1.738 132 3HD1 LEU 19 3HD1 LEU 19 -3.925 0.201 2.894 133 1HD2 LEU 19 1HD2 LEU 19 -3.092 1.588 0.724 134 2HD2 LEU 19 2HD2 LEU 19 -4.069 1.395 -0.733 135 3HD2 LEU 19 3HD2 LEU 19 -4.740 2.219 0.676 136 H LYS 20 H LYS 20 -4.976 0.722 -3.136 137 HA LYS 20 HA LYS 20 -3.702 -1.293 -4.674 138 1HB LYS 20 2HB LYS 20 -5.213 -1.803 -6.269 139 2HB LYS 20 1HB LYS 20 -6.406 -1.180 -5.145 140 1HG LYS 20 2HG LYS 20 -5.150 0.792 -6.942 141 2HG LYS 20 1HG LYS 20 -6.215 -0.391 -7.689 142 1HD LYS 20 2HD LYS 20 -7.982 0.210 -6.074 143 2HD LYS 20 1HD LYS 20 -6.924 1.455 -5.410 144 1HE LYS 20 2HE LYS 20 -8.257 2.648 -6.886 145 2HE LYS 20 1HE LYS 20 -6.808 2.329 -7.837 146 1HZ LYS 20 1HZ LYS 20 -9.180 1.894 -8.807 147 2HZ LYS 20 2HZ LYS 20 -9.034 0.417 -7.989 148 3HZ LYS 20 3HZ LYS 20 -7.893 0.852 -9.169 149 H ALA 21 H ALA 21 -2.323 -0.352 -6.274 150 HA ALA 21 HA ALA 21 -2.432 2.224 -7.271 151 1HB ALA 21 1HB ALA 21 -2.287 3.177 -5.099 152 2HB ALA 21 2HB ALA 21 -0.950 2.116 -4.655 153 3HB ALA 21 3HB ALA 21 -0.706 3.382 -5.857 154 H ILE 22 H ILE 22 -0.156 -0.038 -5.782 155 HA ILE 22 HA ILE 22 2.180 0.592 -6.948 156 HB ILE 22 HB ILE 22 1.045 -2.103 -6.271 157 1HG1 ILE 22 2HG1 ILE 22 3.039 -0.197 -5.075 158 2HG1 ILE 22 1HG1 ILE 22 1.584 -0.865 -4.348 159 1HG2 ILE 22 1HG2 ILE 22 3.352 -1.595 -7.956 160 2HG2 ILE 22 2HG2 ILE 22 3.769 -2.512 -6.508 161 3HG2 ILE 22 3HG2 ILE 22 2.519 -3.108 -7.604 162 1HD1 ILE 22 1HD1 ILE 22 2.839 -3.123 -4.546 163 2HD1 ILE 22 2HD1 ILE 22 4.273 -2.101 -4.693 164 3HD1 ILE 22 3HD1 ILE 22 3.255 -1.997 -3.253 165 H ASP 23 H ASP 23 -0.269 -1.474 -8.419 166 HA ASP 23 HA ASP 23 -0.069 -0.635 -10.997 167 1HB ASP 23 2HB ASP 23 2.320 -1.578 -10.809 168 2HB ASP 23 1HB ASP 23 1.562 -3.167 -10.783 169 H GLN 24 H GLN 24 -0.832 -2.834 -8.626 170 HA GLN 24 HA GLN 24 -3.039 -3.869 -10.201 171 1HB GLN 24 2HB GLN 24 -2.778 -6.129 -9.325 172 2HB GLN 24 1HB GLN 24 -1.345 -5.667 -10.224 173 1HG GLN 24 2HG GLN 24 -1.049 -4.996 -7.450 174 2HG GLN 24 1HG GLN 24 -1.486 -6.693 -7.635 175 1HE2 GLN 24 1HE2 GLN 24 0.513 -4.496 -9.579 176 2HE2 GLN 24 2HE2 GLN 24 1.942 -5.480 -9.543 177 H TYR 25 H TYR 25 -4.515 -5.103 -8.520 178 HA TYR 25 HA TYR 25 -4.958 -3.169 -6.387 179 1HB TYR 25 2HB TYR 25 -6.720 -5.544 -6.936 180 2HB TYR 25 1HB TYR 25 -7.151 -3.991 -6.219 181 HD1 TYR 25 1HD TYR 25 -7.949 -5.823 -8.857 182 HD2 TYR 25 2HD TYR 25 -6.169 -2.024 -8.105 183 HE1 TYR 25 1HE TYR 25 -8.677 -5.045 -11.077 184 HE2 TYR 25 2HE TYR 25 -6.898 -1.243 -10.320 185 HH TYR 25 HH TYR 25 -9.197 -2.781 -12.155 186 H TRP 26 H TRP 26 -5.300 -3.821 -4.207 187 HA TRP 26 HA TRP 26 -4.035 -6.366 -3.481 188 1HB TRP 26 2HB TRP 26 -3.424 -3.692 -2.195 189 2HB TRP 26 1HB TRP 26 -2.736 -5.243 -1.739 190 HD1 TRP 26 HD TRP 26 -2.408 -2.460 -4.310 191 HE1 TRP 26 1HE TRP 26 -0.225 -2.818 -5.629 192 HE3 TRP 26 3HE TRP 26 -1.156 -7.094 -2.567 193 HZ2 TRP 26 2HZ TRP 26 1.759 -4.799 -5.898 194 HZ3 TRP 26 3HZ TRP 26 0.894 -8.156 -3.410 195 HH2 TRP 26 HH TRP 26 2.324 -7.027 -5.038 196 H HIS 27 H HIS 27 -4.024 -5.980 -0.789 197 HA HIS 27 HA HIS 27 -6.846 -5.547 -0.070 198 1HB HIS 27 2HB HIS 27 -4.981 -7.750 0.663 199 2HB HIS 27 1HB HIS 27 -6.027 -7.138 1.938 200 HD2 HIS 27 2HD HIS 27 -8.856 -6.981 0.753 201 HE1 HIS 27 1HE HIS 27 -8.119 -10.766 -0.995 202 HE2 HIS 27 2HE HIS 27 -9.913 -9.196 -0.107 203 H GLU 28 H GLU 28 -6.986 -5.017 2.359 204 HA GLU 28 HA GLU 28 -5.467 -2.698 2.827 205 1HB GLU 28 2HB GLU 28 -7.360 -4.315 4.521 206 2HB GLU 28 1HB GLU 28 -6.642 -2.812 5.061 207 1HG GLU 28 2HG GLU 28 -7.828 -2.536 2.448 208 2HG GLU 28 1HG GLU 28 -8.992 -3.114 3.638 209 H ASP 29 H ASP 29 -5.303 -5.994 4.129 210 HA ASP 29 HA ASP 29 -3.049 -5.242 5.779 211 1HB ASP 29 2HB ASP 29 -3.427 -7.319 6.917 212 2HB ASP 29 1HB ASP 29 -4.968 -6.507 6.750 213 H CYS 30 H CYS 30 -3.745 -6.719 2.856 214 HA CYS 30 HA CYS 30 -1.587 -8.565 2.747 215 1HB CYS 30 2HB CYS 30 -3.543 -7.471 0.774 216 2HB CYS 30 1HB CYS 30 -2.112 -8.302 0.175 217 H LEU 31 H LEU 31 -2.113 -5.366 1.351 218 HA LEU 31 HA LEU 31 0.258 -5.057 -0.024 219 1HB LEU 31 2HB LEU 31 -1.934 -3.473 0.587 220 2HB LEU 31 1HB LEU 31 -0.582 -2.599 1.282 221 HG LEU 31 HG LEU 31 -0.971 -3.379 -1.603 222 1HD1 LEU 31 1HD1 LEU 31 -1.461 -1.221 -1.998 223 2HD1 LEU 31 2HD1 LEU 31 -1.925 -1.236 -0.296 224 3HD1 LEU 31 3HD1 LEU 31 -0.340 -0.627 -0.771 225 1HD2 LEU 31 1HD2 LEU 31 1.448 -3.501 -0.481 226 2HD2 LEU 31 2HD2 LEU 31 1.185 -2.908 -2.120 227 3HD2 LEU 31 3HD2 LEU 31 1.374 -1.767 -0.789 228 H SER 32 H SER 32 2.160 -5.579 0.851 229 HA SER 32 HA SER 32 3.191 -3.845 2.939 230 1HB SER 32 2HB SER 32 3.772 -6.763 3.294 231 2HB SER 32 1HB SER 32 3.774 -5.471 4.491 232 HG SER 32 HG SER 32 1.399 -6.366 3.234 233 H CYS 33 H CYS 33 5.561 -4.009 3.081 234 HA CYS 33 HA CYS 33 6.774 -4.055 0.544 235 1HB CYS 33 2HB CYS 33 7.731 -2.691 2.242 236 2HB CYS 33 1HB CYS 33 7.869 -4.044 3.353 237 H ASP 34 H ASP 34 8.176 -5.498 -0.392 238 HA ASP 34 HA ASP 34 7.549 -8.212 -0.217 239 1HB ASP 34 2HB ASP 34 8.849 -6.710 -2.026 240 2HB ASP 34 1HB ASP 34 10.235 -7.466 -1.253 241 H LEU 35 H LEU 35 10.038 -6.334 1.334 242 HA LEU 35 HA LEU 35 11.194 -8.778 2.470 243 1HB LEU 35 2HB LEU 35 12.746 -7.377 1.289 244 2HB LEU 35 1HB LEU 35 12.274 -5.979 2.232 245 HG LEU 35 HG LEU 35 13.322 -6.829 4.189 246 1HD1 LEU 35 1HD1 LEU 35 13.868 -9.363 2.639 247 2HD1 LEU 35 2HD1 LEU 35 14.426 -9.007 4.273 248 3HD1 LEU 35 3HD1 LEU 35 12.702 -9.184 3.951 249 1HD2 LEU 35 1HD2 LEU 35 15.197 -7.431 1.910 250 2HD2 LEU 35 2HD2 LEU 35 14.742 -5.798 2.396 251 3HD2 LEU 35 3HD2 LEU 35 15.609 -6.844 3.522 252 H CYS 36 H CYS 36 10.004 -5.571 3.454 253 HA CYS 36 HA CYS 36 10.375 -5.865 6.224 254 1HB CYS 36 2HB CYS 36 8.374 -4.284 4.616 255 2HB CYS 36 1HB CYS 36 8.365 -4.266 6.373 256 H GLY 37 H GLY 37 7.528 -6.498 4.223 257 1HA GLY 37 1HA GLY 37 5.815 -8.001 4.444 258 2HA GLY 37 2HA GLY 37 6.843 -8.872 5.575 259 H CYS 38 H CYS 38 6.057 -5.568 6.277 260 HA CYS 38 HA CYS 38 4.614 -6.444 8.634 261 1HB CYS 38 2HB CYS 38 4.530 -3.760 8.823 262 2HB CYS 38 1HB CYS 38 5.912 -4.718 9.339 263 HG CYS 38 HG CYS 38 7.576 -3.401 7.909 264 H ARG 39 H ARG 39 3.715 -3.422 7.194 265 HA ARG 39 HA ARG 39 1.418 -4.282 5.787 266 1HB ARG 39 2HB ARG 39 1.012 -4.587 8.442 267 2HB ARG 39 1HB ARG 39 0.511 -2.913 8.251 268 1HG ARG 39 2HG ARG 39 -1.434 -3.532 7.398 269 2HG ARG 39 1HG ARG 39 -0.636 -4.524 6.173 270 1HD ARG 39 2HD ARG 39 -1.053 -5.422 9.014 271 2HD ARG 39 1HD ARG 39 -2.207 -5.744 7.720 272 HE ARG 39 HE ARG 39 0.139 -6.672 6.725 273 1HH1 ARG 39 2HH1 ARG 39 -1.680 -7.290 9.659 274 2HH1 ARG 39 1HH1 ARG 39 -1.052 -8.904 9.847 275 1HH2 ARG 39 2HH2 ARG 39 0.966 -8.770 6.976 276 2HH2 ARG 39 1HH2 ARG 39 0.466 -9.737 8.336 277 H LEU 40 H LEU 40 1.480 -2.746 4.283 278 HA LEU 40 HA LEU 40 2.153 -0.002 4.948 279 1HB LEU 40 2HB LEU 40 1.782 -1.573 2.479 280 2HB LEU 40 1HB LEU 40 1.266 0.101 2.377 281 HG LEU 40 HG LEU 40 3.936 -0.327 3.563 282 1HD1 LEU 40 1HD1 LEU 40 3.492 -0.741 0.612 283 2HD1 LEU 40 2HD1 LEU 40 5.040 -0.703 1.457 284 3HD1 LEU 40 3HD1 LEU 40 3.901 -2.014 1.762 285 1HD2 LEU 40 1HD2 LEU 40 4.435 1.592 2.033 286 2HD2 LEU 40 2HD2 LEU 40 2.737 1.568 1.553 287 3HD2 LEU 40 3HD2 LEU 40 3.175 1.905 3.228 288 H GLY 41 H GLY 41 -0.558 -1.931 5.050 289 1HA GLY 41 1HA GLY 41 -2.511 0.148 4.502 290 2HA GLY 41 2HA GLY 41 -2.847 -1.473 5.107 291 H GLU 42 H GLU 42 -0.435 -0.545 6.988 292 HA GLU 42 HA GLU 42 -2.198 0.562 9.061 293 1HB GLU 42 2HB GLU 42 0.426 -0.907 9.136 294 2HB GLU 42 1HB GLU 42 -0.101 0.059 10.509 295 1HG GLU 42 2HG GLU 42 -1.719 -2.164 9.295 296 2HG GLU 42 1HG GLU 42 -0.634 -2.364 10.671 297 H VAL 43 H VAL 43 1.210 0.872 8.137 298 HA VAL 43 HA VAL 43 0.971 3.782 8.437 299 HB VAL 43 HB VAL 43 2.749 3.145 9.828 300 1HG1 VAL 43 1HG1 VAL 43 2.901 0.868 8.231 301 2HG1 VAL 43 2HG1 VAL 43 4.478 1.643 8.085 302 3HG1 VAL 43 3HG1 VAL 43 3.845 1.224 9.678 303 1HG2 VAL 43 1HG2 VAL 43 3.447 4.381 7.292 304 2HG2 VAL 43 2HG2 VAL 43 3.895 4.835 8.936 305 3HG2 VAL 43 3HG2 VAL 43 4.825 3.610 8.075 306 H GLY 44 H GLY 44 0.229 4.438 6.503 307 1HA GLY 44 1HA GLY 44 1.910 4.089 4.170 308 2HA GLY 44 2HA GLY 44 0.367 3.250 4.102 309 H ARG 45 H ARG 45 1.816 6.424 4.629 310 HA ARG 45 HA ARG 45 -0.641 7.726 3.705 311 1HB ARG 45 2HB ARG 45 0.169 9.698 4.574 312 2HB ARG 45 1HB ARG 45 0.999 8.561 5.624 313 1HG ARG 45 2HG ARG 45 2.980 9.304 4.964 314 2HG ARG 45 1HG ARG 45 2.562 9.075 3.264 315 1HD ARG 45 2HD ARG 45 2.773 11.321 3.191 316 2HD ARG 45 1HD ARG 45 1.119 11.278 3.802 317 HE ARG 45 HE ARG 45 2.335 11.336 6.091 318 1HH1 ARG 45 2HH1 ARG 45 3.300 13.035 3.178 319 2HH1 ARG 45 1HH1 ARG 45 4.075 14.337 4.035 320 1HH2 ARG 45 2HH2 ARG 45 3.384 13.028 7.229 321 2HH2 ARG 45 1HH2 ARG 45 4.109 14.344 6.340 322 H ARG 46 H ARG 46 2.471 6.704 2.755 323 HA ARG 46 HA ARG 46 1.912 7.494 0.004 324 1HB ARG 46 2HB ARG 46 4.366 7.976 -0.283 325 2HB ARG 46 1HB ARG 46 3.484 9.161 0.668 326 1HG ARG 46 2HG ARG 46 4.916 8.908 2.333 327 2HG ARG 46 1HG ARG 46 4.506 7.198 2.444 328 1HD ARG 46 2HD ARG 46 6.964 7.840 2.049 329 2HD ARG 46 1HD ARG 46 6.266 6.557 1.062 330 HE ARG 46 HE ARG 46 5.880 8.522 -0.588 331 1HH1 ARG 46 2HH1 ARG 46 8.672 8.090 1.500 332 2HH1 ARG 46 1HH1 ARG 46 9.744 8.939 0.428 333 1HH2 ARG 46 2HH2 ARG 46 7.260 9.655 -1.954 334 2HH2 ARG 46 1HH2 ARG 46 8.957 9.802 -1.564 335 H LEU 47 H LEU 47 4.015 6.292 -1.270 336 HA LEU 47 HA LEU 47 4.636 3.756 -0.092 337 1HB LEU 47 2HB LEU 47 2.406 3.169 -0.721 338 2HB LEU 47 1HB LEU 47 2.604 3.881 -2.311 339 HG LEU 47 HG LEU 47 4.554 1.782 -1.843 340 1HD1 LEU 47 1HD1 LEU 47 2.802 0.879 -0.394 341 2HD1 LEU 47 2HD1 LEU 47 1.644 1.008 -1.719 342 3HD1 LEU 47 3HD1 LEU 47 3.014 -0.096 -1.850 343 1HD2 LEU 47 1HD2 LEU 47 4.014 1.182 -4.016 344 2HD2 LEU 47 2HD2 LEU 47 2.354 1.760 -3.871 345 3HD2 LEU 47 3HD2 LEU 47 3.681 2.914 -4.001 346 H TYR 48 H TYR 48 6.509 3.121 -0.860 347 HA TYR 48 HA TYR 48 7.225 3.928 -3.583 348 1HB TYR 48 2HB TYR 48 8.601 5.267 -2.121 349 2HB TYR 48 1HB TYR 48 9.052 3.850 -1.174 350 HD1 TYR 48 1HD TYR 48 9.256 5.249 -4.615 351 HD2 TYR 48 2HD TYR 48 10.979 2.662 -1.717 352 HE1 TYR 48 1HE TYR 48 11.172 4.857 -6.108 353 HE2 TYR 48 2HE TYR 48 12.907 2.277 -3.190 354 HH TYR 48 HH TYR 48 12.988 3.517 -6.489 355 H TYR 49 H TYR 49 7.957 2.382 -4.848 356 HA TYR 49 HA TYR 49 8.989 -0.097 -3.764 357 1HB TYR 49 2HB TYR 49 7.529 -1.541 -4.973 358 2HB TYR 49 1HB TYR 49 6.483 -0.396 -4.138 359 HD1 TYR 49 1HD TYR 49 7.135 -1.972 -7.203 360 HD2 TYR 49 2HD TYR 49 5.825 1.734 -5.573 361 HE1 TYR 49 1HE TYR 49 6.064 -1.410 -9.347 362 HE2 TYR 49 2HE TYR 49 4.763 2.308 -7.713 363 HH TYR 49 HH TYR 49 3.867 0.406 -9.891 364 H LYS 50 H LYS 50 10.176 -1.281 -5.433 365 HA LYS 50 HA LYS 50 11.435 0.551 -7.285 366 1HB LYS 50 2HB LYS 50 12.187 -1.861 -5.963 367 2HB LYS 50 1HB LYS 50 12.305 -2.139 -7.696 368 1HG LYS 50 2HG LYS 50 13.485 0.319 -7.404 369 2HG LYS 50 1HG LYS 50 13.979 -0.531 -5.939 370 1HD LYS 50 2HD LYS 50 15.200 -2.085 -7.085 371 2HD LYS 50 1HD LYS 50 14.169 -1.995 -8.515 372 1HE LYS 50 2HE LYS 50 15.141 0.165 -9.095 373 2HE LYS 50 1HE LYS 50 16.144 0.114 -7.644 374 1HZ LYS 50 1HZ LYS 50 16.722 -2.229 -8.868 375 2HZ LYS 50 2HZ LYS 50 17.656 -0.820 -8.968 376 3HZ LYS 50 3HZ LYS 50 16.530 -1.180 -10.183 377 H LEU 51 H LEU 51 11.535 0.224 -9.516 378 HA LEU 51 HA LEU 51 9.264 0.084 -10.874 379 1HB LEU 51 2HB LEU 51 10.462 -0.073 -12.867 380 2HB LEU 51 1HB LEU 51 11.576 0.649 -11.724 381 HG LEU 51 HG LEU 51 11.596 -2.267 -12.517 382 1HD1 LEU 51 1HD1 LEU 51 13.824 -0.555 -13.327 383 2HD1 LEU 51 2HD1 LEU 51 12.970 -1.813 -14.220 384 3HD1 LEU 51 3HD1 LEU 51 12.294 -0.185 -14.125 385 1HD2 LEU 51 1HD2 LEU 51 13.466 -0.582 -10.865 386 2HD2 LEU 51 2HD2 LEU 51 12.540 -1.994 -10.347 387 3HD2 LEU 51 3HD2 LEU 51 13.872 -2.182 -11.492 388 H GLY 52 H GLY 52 11.076 -2.843 -10.024 389 1HA GLY 52 1HA GLY 52 8.810 -4.386 -11.122 390 2HA GLY 52 2HA GLY 52 10.475 -4.902 -11.332 391 H ARG 53 H ARG 53 9.936 -3.491 -8.282 392 HA ARG 53 HA ARG 53 9.129 -6.003 -7.056 393 1HB ARG 53 2HB ARG 53 11.188 -5.413 -5.373 394 2HB ARG 53 1HB ARG 53 11.246 -6.631 -6.636 395 1HG ARG 53 2HG ARG 53 12.176 -4.877 -8.159 396 2HG ARG 53 1HG ARG 53 12.303 -3.821 -6.756 397 1HD ARG 53 2HD ARG 53 14.221 -4.767 -6.183 398 2HD ARG 53 1HD ARG 53 13.440 -6.349 -6.106 399 HE ARG 53 HE ARG 53 14.277 -5.319 -8.714 400 1HH1 ARG 53 2HH1 ARG 53 14.776 -7.559 -6.065 401 2HH1 ARG 53 1HH1 ARG 53 15.773 -8.638 -7.000 402 1HH2 ARG 53 2HH2 ARG 53 15.591 -6.721 -9.944 403 2HH2 ARG 53 1HH2 ARG 53 16.212 -8.175 -9.224 404 H LYS 54 H LYS 54 7.788 -5.642 -5.431 405 HA LYS 54 HA LYS 54 7.351 -2.922 -4.539 406 1HB LYS 54 2HB LYS 54 5.563 -4.157 -3.088 407 2HB LYS 54 1HB LYS 54 5.319 -3.998 -4.821 408 1HG LYS 54 2HG LYS 54 5.254 -6.196 -5.090 409 2HG LYS 54 1HG LYS 54 6.764 -6.413 -4.201 410 1HD LYS 54 2HD LYS 54 5.623 -6.489 -2.118 411 2HD LYS 54 1HD LYS 54 4.112 -5.948 -2.852 412 1HE LYS 54 2HE LYS 54 3.548 -8.091 -3.066 413 2HE LYS 54 1HE LYS 54 4.824 -8.234 -4.279 414 1HZ LYS 54 1HZ LYS 54 5.022 -9.901 -2.519 415 2HZ LYS 54 2HZ LYS 54 5.186 -8.673 -1.361 416 3HZ LYS 54 3HZ LYS 54 6.372 -8.873 -2.559 417 H LEU 55 H LEU 55 9.652 -3.032 -3.670 418 HA LEU 55 HA LEU 55 9.480 -3.736 -0.827 419 1HB LEU 55 2HB LEU 55 11.412 -4.870 -0.826 420 2HB LEU 55 1HB LEU 55 11.153 -5.014 -2.552 421 HG LEU 55 HG LEU 55 12.672 -2.666 -1.497 422 1HD1 LEU 55 1HD1 LEU 55 14.614 -4.477 -2.170 423 2HD1 LEU 55 2HD1 LEU 55 14.144 -4.038 -0.528 424 3HD1 LEU 55 3HD1 LEU 55 13.449 -5.469 -1.289 425 1HD2 LEU 55 1HD2 LEU 55 11.945 -2.958 -3.909 426 2HD2 LEU 55 2HD2 LEU 55 13.666 -2.674 -3.646 427 3HD2 LEU 55 3HD2 LEU 55 13.083 -4.303 -3.993 428 H CYS 56 H CYS 56 10.503 -2.244 0.581 429 HA CYS 56 HA CYS 56 10.072 0.386 -0.225 430 1HB CYS 56 2HB CYS 56 10.994 1.049 1.971 431 2HB CYS 56 1HB CYS 56 9.806 -0.241 2.087 432 H ARG 57 H ARG 57 11.691 2.134 0.419 433 HA ARG 57 HA ARG 57 13.914 1.952 -1.411 434 1HB ARG 57 2HB ARG 57 12.666 4.060 -1.143 435 2HB ARG 57 1HB ARG 57 13.183 4.151 0.534 436 1HG ARG 57 2HG ARG 57 14.585 5.616 -0.664 437 2HG ARG 57 1HG ARG 57 15.558 4.183 -0.324 438 1HD ARG 57 2HD ARG 57 15.358 3.403 -2.543 439 2HD ARG 57 1HD ARG 57 14.061 4.541 -2.904 440 HE ARG 57 HE ARG 57 16.493 5.865 -2.182 441 1HH1 ARG 57 2HH1 ARG 57 14.801 4.290 -4.823 442 2HH1 ARG 57 1HH1 ARG 57 15.666 5.161 -6.055 443 1HH2 ARG 57 2HH2 ARG 57 17.623 7.004 -3.816 444 2HH2 ARG 57 1HH2 ARG 57 17.241 6.710 -5.485 445 H ARG 58 H ARG 58 13.406 1.646 2.007 446 HA ARG 58 HA ARG 58 16.160 2.020 2.706 447 1HB ARG 58 2HB ARG 58 15.019 0.634 4.816 448 2HB ARG 58 1HB ARG 58 15.160 2.379 4.675 449 1HG ARG 58 2HG ARG 58 12.807 1.036 3.445 450 2HG ARG 58 1HG ARG 58 12.863 1.227 5.198 451 1HD ARG 58 2HD ARG 58 13.568 3.625 3.649 452 2HD ARG 58 1HD ARG 58 11.895 3.087 3.484 453 HE ARG 58 HE ARG 58 12.001 3.078 6.071 454 1HH1 ARG 58 2HH1 ARG 58 13.482 5.412 3.919 455 2HH1 ARG 58 1HH1 ARG 58 13.524 6.678 5.111 456 1HH2 ARG 58 2HH2 ARG 58 12.026 4.746 7.631 457 2HH2 ARG 58 1HH2 ARG 58 12.749 6.281 7.235 458 H ASP 59 H ASP 59 14.015 -0.772 2.294 459 HA ASP 59 HA ASP 59 15.989 -2.716 2.922 460 1HB ASP 59 2HB ASP 59 13.348 -2.779 1.502 461 2HB ASP 59 1HB ASP 59 14.405 -4.186 1.433 462 H TYR 60 H TYR 60 14.822 -1.336 -0.107 463 HA TYR 60 HA TYR 60 16.493 -2.776 -1.842 464 1HB TYR 60 2HB TYR 60 15.010 -1.677 -3.153 465 2HB TYR 60 1HB TYR 60 14.787 -0.389 -1.976 466 HD1 TYR 60 1HD TYR 60 16.255 1.582 -1.993 467 HD2 TYR 60 2HD TYR 60 16.562 -1.445 -4.969 468 HE1 TYR 60 1HE TYR 60 17.556 3.113 -3.418 469 HE2 TYR 60 2HE TYR 60 17.876 0.071 -6.390 470 HH TYR 60 HH TYR 60 18.206 2.474 -6.694 471 H LEU 61 H LEU 61 16.984 0.170 0.017 472 HA LEU 61 HA LEU 61 19.417 1.002 -1.098 473 1HB LEU 61 2HB LEU 61 17.687 1.864 0.863 474 2HB LEU 61 1HB LEU 61 19.132 1.467 1.773 475 HG LEU 61 HG LEU 61 18.993 3.845 1.141 476 1HD1 LEU 61 1HD1 LEU 61 21.175 2.265 1.167 477 2HD1 LEU 61 2HD1 LEU 61 21.291 2.946 -0.455 478 3HD1 LEU 61 3HD1 LEU 61 21.224 4.015 0.947 479 1HD2 LEU 61 1HD2 LEU 61 18.849 4.614 -0.998 480 2HD2 LEU 61 2HD2 LEU 61 19.613 3.180 -1.683 481 3HD2 LEU 61 3HD2 LEU 61 17.931 3.116 -1.158 482 H ARG 62 H ARG 62 18.670 -1.449 1.290 483 HA ARG 62 HA ARG 62 21.380 -1.627 2.193 484 1HB ARG 62 2HB ARG 62 18.787 -2.893 2.846 485 2HB ARG 62 1HB ARG 62 20.231 -3.806 3.231 486 1HG ARG 62 2HG ARG 62 19.169 -1.328 4.433 487 2HG ARG 62 1HG ARG 62 20.001 -2.686 5.187 488 1HD ARG 62 2HD ARG 62 21.700 -1.231 5.371 489 2HD ARG 62 1HD ARG 62 22.003 -1.648 3.689 490 HE ARG 62 HE ARG 62 20.160 0.496 3.809 491 1HH1 ARG 62 2HH1 ARG 62 23.564 -0.217 4.181 492 2HH1 ARG 62 1HH1 ARG 62 24.043 1.445 4.044 493 1HH2 ARG 62 2HH2 ARG 62 20.787 2.668 3.633 494 2HH2 ARG 62 1HH2 ARG 62 22.469 3.086 3.722 495 H LEU 63 H LEU 63 19.545 -3.106 -0.315 496 HA LEU 63 HA LEU 63 21.604 -5.185 -0.587 497 1HB LEU 63 2HB LEU 63 19.764 -5.852 -2.485 498 2HB LEU 63 1HB LEU 63 19.860 -6.534 -0.876 499 HG LEU 63 HG LEU 63 18.287 -4.182 -0.691 500 1HD1 LEU 63 1HD1 LEU 63 17.832 -5.778 -3.149 501 2HD1 LEU 63 2HD1 LEU 63 16.426 -5.222 -2.240 502 3HD1 LEU 63 3HD1 LEU 63 17.598 -4.055 -2.852 503 1HD2 LEU 63 1HD2 LEU 63 17.049 -5.549 0.563 504 2HD2 LEU 63 2HD2 LEU 63 16.878 -6.732 -0.733 505 3HD2 LEU 63 3HD2 LEU 63 18.319 -6.739 0.286 506 H GLY 64 H GLY 64 19.658 -3.108 -2.771 507 1HA GLY 64 1HA GLY 64 21.857 -3.225 -4.702 508 2HA GLY 64 2HA GLY 64 20.240 -2.612 -5.013 509 H GLY 65 H GLY 65 20.059 -0.935 -2.778 510 1HA GLY 65 1HA GLY 65 20.213 1.391 -2.616 511 2HA GLY 65 2HA GLY 65 21.726 0.860 -1.919 512 H SER 66 H SER 66 20.764 0.990 -5.349 513 HA SER 66 HA SER 66 23.186 2.179 -6.174 514 1HB SER 66 2HB SER 66 20.823 2.632 -7.885 515 2HB SER 66 1HB SER 66 22.371 1.879 -8.273 516 HG SER 66 HG SER 66 21.662 -0.039 -7.503 517 H GLY 67 H GLY 67 19.978 3.483 -5.492 518 1HA GLY 67 1HA GLY 67 20.873 6.214 -5.977 519 2HA GLY 67 2HA GLY 67 19.254 5.710 -5.508 520 H GLY 68 H GLY 68 21.549 4.204 -3.606 521 1HA GLY 68 1HA GLY 68 21.044 6.063 -1.386 522 2HA GLY 68 2HA GLY 68 21.649 4.414 -1.228 523 H HIS 69 H HIS 69 23.736 4.137 -2.635 524 HA HIS 69 HA HIS 69 25.962 4.484 -2.784 525 1HB HIS 69 2HB HIS 69 24.650 6.889 -3.749 526 2HB HIS 69 1HB HIS 69 26.267 7.232 -3.138 527 HD2 HIS 69 2HD HIS 69 27.262 4.112 -4.283 528 HE1 HIS 69 1HE HIS 69 26.735 6.163 -7.947 529 HE2 HIS 69 2HE HIS 69 27.682 4.084 -6.847 530 H MET 70 H MET 70 25.393 7.680 -1.383 531 HA MET 70 HA MET 70 27.443 7.316 0.580 532 1HB MET 70 2HB MET 70 25.332 9.444 0.756 533 2HB MET 70 1HB MET 70 27.022 9.523 1.237 534 1HG MET 70 2HG MET 70 27.747 9.704 -0.998 535 2HG MET 70 1HG MET 70 26.161 9.262 -1.623 536 1HE MET 70 1HE MET 70 24.457 10.438 -2.071 537 2HE MET 70 2HE MET 70 24.029 12.095 -1.640 538 3HE MET 70 3HE MET 70 25.109 11.787 -2.998 539 H GLY 71 H GLY 71 23.905 7.702 0.800 540 1HA GLY 71 1HA GLY 71 22.478 6.378 2.097 541 2HA GLY 71 2HA GLY 71 23.873 5.730 2.943 542 H SER 72 H SER 72 24.958 7.203 4.479 543 HA SER 72 HA SER 72 22.997 8.362 6.209 544 1HB SER 72 2HB SER 72 25.556 9.025 7.166 545 2HB SER 72 1HB SER 72 24.551 7.666 7.673 546 HG SER 72 HG SER 72 26.534 7.712 5.635 547 H GLY 73 H GLY 73 22.334 9.968 4.524 548 1HA GLY 73 1HA GLY 73 22.155 12.193 3.943 549 2HA GLY 73 2HA GLY 73 23.394 12.554 5.140 550 H GLY 74 H GLY 74 25.370 13.057 4.467 551 1HA GLY 74 1HA GLY 74 25.999 12.632 1.608 552 2HA GLY 74 2HA GLY 74 26.686 13.912 2.601 553 H ASP 75 H ASP 75 26.741 11.716 4.790 554 HA ASP 75 HA ASP 75 29.476 10.950 4.330 555 1HB ASP 75 2HB ASP 75 28.796 11.502 6.588 556 2HB ASP 75 1HB ASP 75 27.540 10.267 6.550 557 H VAL 76 H VAL 76 30.097 9.246 3.239 558 HA VAL 76 HA VAL 76 28.236 7.261 2.336 559 HB VAL 76 HB VAL 76 31.209 6.952 2.085 560 1HG1 VAL 76 1HG1 VAL 76 29.407 5.298 1.254 561 2HG1 VAL 76 2HG1 VAL 76 29.134 6.482 -0.023 562 3HG1 VAL 76 3HG1 VAL 76 30.721 5.737 0.164 563 1HG2 VAL 76 1HG2 VAL 76 31.089 9.184 1.449 564 2HG2 VAL 76 2HG2 VAL 76 30.886 8.331 -0.081 565 3HG2 VAL 76 3HG2 VAL 76 29.482 9.002 0.749 566 H MET 77 H MET 77 27.699 5.462 3.344 567 HA MET 77 HA MET 77 28.680 4.791 5.887 568 1HB MET 77 2HB MET 77 27.275 2.790 4.151 569 2HB MET 77 1HB MET 77 27.145 3.030 5.886 570 1HG MET 77 2HG MET 77 25.646 4.723 5.682 571 2HG MET 77 1HG MET 77 26.263 5.234 4.118 572 1HE MET 77 1HE MET 77 25.566 4.015 1.760 573 2HE MET 77 2HE MET 77 26.397 2.642 2.494 574 3HE MET 77 3HE MET 77 24.803 2.424 1.770 575 H VAL 78 H VAL 78 29.637 2.749 6.553 576 HA VAL 78 HA VAL 78 31.875 2.050 4.828 577 HB VAL 78 HB VAL 78 31.779 0.635 7.372 578 1HG1 VAL 78 1HG1 VAL 78 33.960 2.330 7.344 579 2HG1 VAL 78 2HG1 VAL 78 33.919 0.666 6.760 580 3HG1 VAL 78 3HG1 VAL 78 33.659 2.001 5.637 581 1HG2 VAL 78 1HG2 VAL 78 32.452 3.009 8.461 582 2HG2 VAL 78 2HG2 VAL 78 31.186 3.528 7.349 583 3HG2 VAL 78 3HG2 VAL 78 30.838 2.307 8.574 584 H VAL 79 H VAL 79 31.507 -0.541 6.807 585 HA VAL 79 HA VAL 79 30.109 -2.053 4.694 586 HB VAL 79 HB VAL 79 31.846 -3.457 6.672 587 1HG1 VAL 79 1HG1 VAL 79 32.212 -4.964 4.834 588 2HG1 VAL 79 2HG1 VAL 79 30.483 -4.639 4.956 589 3HG1 VAL 79 3HG1 VAL 79 31.442 -3.847 3.707 590 1HG2 VAL 79 1HG2 VAL 79 33.065 -1.387 5.770 591 2HG2 VAL 79 2HG2 VAL 79 33.865 -2.950 5.599 592 3HG2 VAL 79 3HG2 VAL 79 33.051 -2.220 4.214 593 H GLY 80 H GLY 80 29.988 -1.096 7.948 594 1HA GLY 80 1HA GLY 80 27.938 -3.138 8.537 595 2HA GLY 80 2HA GLY 80 28.855 -2.262 9.759 596 H GLU 81 H GLU 81 26.696 -1.660 7.023 597 HA GLU 81 HA GLU 81 25.761 0.766 8.374 598 1HB GLU 81 2HB GLU 81 24.758 0.840 5.799 599 2HB GLU 81 1HB GLU 81 26.196 1.665 6.377 600 1HG GLU 81 2HG GLU 81 26.795 0.533 4.392 601 2HG GLU 81 1HG GLU 81 27.516 -0.359 5.731 602 HA PRO 82 HA PRO 82 21.820 -1.425 8.644 603 1HB PRO 82 2HB PRO 82 21.234 -0.669 11.137 604 2HB PRO 82 1HB PRO 82 22.478 -1.885 10.828 605 1HG PRO 82 2HG PRO 82 22.772 0.928 11.693 606 2HG PRO 82 1HG PRO 82 23.860 -0.445 11.944 607 1HD PRO 82 2HD PRO 82 24.012 1.606 9.927 608 2HD PRO 82 1HD PRO 82 25.123 0.249 10.197 609 H THR 83 H THR 83 19.872 -0.110 10.281 610 HA THR 83 HA THR 83 18.987 2.041 8.552 611 HB THR 83 HB THR 83 17.371 2.027 10.832 612 HG1 THR 83 1HG THR 83 17.502 0.095 11.674 613 1HG2 THR 83 1HG2 THR 83 15.851 0.623 9.295 614 2HG2 THR 83 2HG2 THR 83 17.154 0.770 8.115 615 3HG2 THR 83 3HG2 THR 83 16.357 2.216 8.736 616 H LEU 84 H LEU 84 20.680 3.533 8.885 617 HA LEU 84 HA LEU 84 21.732 4.322 11.314 618 1HB LEU 84 2HB LEU 84 21.478 6.194 8.979 619 2HB LEU 84 1HB LEU 84 22.768 6.104 10.163 620 HG LEU 84 HG LEU 84 22.569 3.603 8.755 621 1HD1 LEU 84 1HD1 LEU 84 22.890 6.056 7.033 622 2HD1 LEU 84 2HD1 LEU 84 23.218 4.398 6.524 623 3HD1 LEU 84 3HD1 LEU 84 21.577 4.882 6.951 624 1HD2 LEU 84 1HD2 LEU 84 24.738 5.694 8.678 625 2HD2 LEU 84 2HD2 LEU 84 24.515 4.554 10.005 626 3HD2 LEU 84 3HD2 LEU 84 24.900 3.961 8.392 627 H MET 85 H MET 85 21.551 6.286 12.512 628 HA MET 85 HA MET 85 18.911 7.046 13.197 629 1HB MET 85 2HB MET 85 21.312 7.313 14.401 630 2HB MET 85 1HB MET 85 21.087 8.948 13.794 631 1HG MET 85 2HG MET 85 20.228 8.261 16.152 632 2HG MET 85 1HG MET 85 19.301 9.363 15.142 633 1HE MET 85 1HE MET 85 16.895 9.176 15.627 634 2HE MET 85 2HE MET 85 16.123 7.744 16.303 635 3HE MET 85 3HE MET 85 17.438 8.532 17.175 636 H GLY 86 H GLY 86 21.398 8.458 11.151 637 1HA GLY 86 1HA GLY 86 19.527 10.539 10.242 638 2HA GLY 86 2HA GLY 86 21.245 10.461 9.861 639 H GLY 87 H GLY 87 21.303 10.324 7.684 640 1HA GLY 87 1HA GLY 87 20.998 9.471 5.573 641 2HA GLY 87 2HA GLY 87 20.912 7.918 6.390 642 H GLU 88 H GLU 88 18.771 10.768 6.118 643 HA GLU 88 HA GLU 88 16.473 9.050 6.054 644 1HB GLU 88 2HB GLU 88 16.970 11.970 6.111 645 2HB GLU 88 1HB GLU 88 15.438 11.434 5.427 646 1HG GLU 88 2HG GLU 88 16.089 10.091 7.913 647 2HG GLU 88 1HG GLU 88 15.984 11.838 8.080 648 H PHE 89 H PHE 89 16.919 7.796 4.189 649 HA PHE 89 HA PHE 89 17.356 8.891 1.631 650 1HB PHE 89 2HB PHE 89 15.935 6.291 1.796 651 2HB PHE 89 1HB PHE 89 17.353 6.739 0.854 652 HD1 PHE 89 1HD PHE 89 16.170 5.020 3.752 653 HD2 PHE 89 2HD PHE 89 19.568 7.002 2.116 654 HE1 PHE 89 1HE PHE 89 17.618 3.860 5.354 655 HE2 PHE 89 2HE PHE 89 21.018 5.852 3.738 656 HZ PHE 89 HZ PHE 89 20.045 4.270 5.351 657 H GLY 90 H GLY 90 15.887 8.781 -0.211 658 1HA GLY 90 1HA GLY 90 13.130 9.450 0.606 659 2HA GLY 90 2HA GLY 90 13.950 10.154 -0.783 660 H ASP 91 H ASP 91 13.277 9.378 -2.653 661 HA ASP 91 HA ASP 91 12.848 6.542 -2.990 662 1HB ASP 91 2HB ASP 91 10.626 7.098 -4.090 663 2HB ASP 91 1HB ASP 91 10.673 7.181 -2.339 664 H GLU 92 H GLU 92 11.270 8.364 -5.272 665 HA GLU 92 HA GLU 92 13.362 9.323 -6.861 666 1HB GLU 92 2HB GLU 92 13.038 7.720 -8.820 667 2HB GLU 92 1HB GLU 92 13.984 7.114 -7.470 668 1HG GLU 92 2HG GLU 92 12.098 5.839 -6.670 669 2HG GLU 92 1HG GLU 92 11.075 6.510 -7.939 670 H ASP 93 H ASP 93 10.225 7.713 -7.162 671 HA ASP 93 HA ASP 93 9.035 10.247 -7.940 672 1HB ASP 93 2HB ASP 93 9.599 8.777 -10.017 673 2HB ASP 93 1HB ASP 93 8.224 7.809 -9.490 674 H GLU 94 H GLU 94 8.587 6.847 -7.113 675 HA GLU 94 HA GLU 94 7.240 5.784 -5.659 676 1HB GLU 94 2HB GLU 94 6.893 6.819 -3.705 677 2HB GLU 94 1HB GLU 94 7.673 8.206 -4.445 678 1HG GLU 94 2HG GLU 94 5.690 9.319 -4.778 679 2HG GLU 94 1HG GLU 94 4.733 7.839 -4.759 680 H ARG 95 H ARG 95 4.950 5.309 -5.154 681 HA ARG 95 HA ARG 95 3.224 6.244 -7.353 682 1HB ARG 95 2HB ARG 95 4.170 3.769 -7.228 683 2HB ARG 95 1HB ARG 95 2.810 3.556 -6.132 684 1HG ARG 95 2HG ARG 95 1.533 3.211 -7.909 685 2HG ARG 95 1HG ARG 95 1.766 4.908 -8.338 686 1HD ARG 95 2HD ARG 95 3.702 2.746 -9.125 687 2HD ARG 95 1HD ARG 95 2.323 3.199 -10.127 688 HE ARG 95 HE ARG 95 3.431 5.558 -9.853 689 1HH1 ARG 95 2HH1 ARG 95 5.029 2.478 -10.374 690 2HH1 ARG 95 1HH1 ARG 95 6.389 3.180 -11.205 691 1HH2 ARG 95 2HH2 ARG 95 5.221 6.481 -10.938 692 2HH2 ARG 95 1HH2 ARG 95 6.484 5.450 -11.543 693 H LEU 96 H LEU 96 3.566 5.877 -3.987 694 HA LEU 96 HA LEU 96 2.231 6.295 -2.199 695 1HB LEU 96 2HB LEU 96 0.486 7.618 -4.276 696 2HB LEU 96 1HB LEU 96 0.197 7.704 -2.550 697 HG LEU 96 HG LEU 96 2.839 8.547 -2.868 698 1HD1 LEU 96 1HD1 LEU 96 1.085 9.445 -5.114 699 2HD1 LEU 96 2HD1 LEU 96 2.332 10.513 -4.469 700 3HD1 LEU 96 3HD1 LEU 96 2.776 8.944 -5.145 701 1HD2 LEU 96 1HD2 LEU 96 1.202 9.383 -1.256 702 2HD2 LEU 96 2HD2 LEU 96 1.951 10.700 -2.157 703 3HD2 LEU 96 3HD2 LEU 96 0.318 10.171 -2.564 704 H ILE 97 H ILE 97 -0.439 6.190 -1.714 705 HA ILE 97 HA ILE 97 -1.668 4.006 -3.091 706 HB ILE 97 HB ILE 97 -2.065 3.089 -0.521 707 1HG1 ILE 97 2HG1 ILE 97 0.898 3.099 -0.802 708 2HG1 ILE 97 1HG1 ILE 97 0.122 4.531 -0.136 709 1HG2 ILE 97 1HG2 ILE 97 -2.023 1.576 -2.278 710 2HG2 ILE 97 2HG2 ILE 97 -0.435 2.119 -2.830 711 3HG2 ILE 97 3HG2 ILE 97 -0.574 1.174 -1.348 712 1HD1 ILE 97 1HD1 ILE 97 0.041 1.729 0.940 713 2HD1 ILE 97 2HD1 ILE 97 0.772 3.153 1.678 714 3HD1 ILE 97 3HD1 ILE 97 -0.982 3.036 1.539 715 H THR 98 H THR 98 -3.830 4.138 -2.958 716 HA THR 98 HA THR 98 -4.917 5.953 -0.938 717 HB THR 98 HB THR 98 -5.083 6.126 -3.797 718 HG1 THR 98 1HG THR 98 -5.730 7.627 -1.531 719 1HG2 THR 98 1HG2 THR 98 -7.157 4.701 -3.342 720 2HG2 THR 98 2HG2 THR 98 -7.375 6.192 -4.259 721 3HG2 THR 98 3HG2 THR 98 -7.816 6.134 -2.552 722 H ARG 99 H ARG 99 -6.418 5.104 0.326 723 HA ARG 99 HA ARG 99 -7.138 2.329 -0.011 724 1HB ARG 99 2HB ARG 99 -8.444 4.042 2.051 725 2HB ARG 99 1HB ARG 99 -7.880 2.382 2.168 726 1HG ARG 99 2HG ARG 99 -5.703 4.254 1.768 727 2HG ARG 99 1HG ARG 99 -6.652 4.615 3.212 728 1HD ARG 99 2HD ARG 99 -5.230 2.058 2.515 729 2HD ARG 99 1HD ARG 99 -4.920 3.136 3.874 730 HE ARG 99 HE ARG 99 -7.130 1.211 3.619 731 1HH1 ARG 99 2HH1 ARG 99 -5.537 3.713 5.482 732 2HH1 ARG 99 1HH1 ARG 99 -6.258 3.234 6.987 733 1HH2 ARG 99 2HH2 ARG 99 -8.080 0.572 5.564 734 2HH2 ARG 99 1HH2 ARG 99 -7.697 1.426 7.037 735 H LEU 100 H LEU 100 -8.559 1.971 -1.591 736 HA LEU 100 HA LEU 100 -10.596 3.944 -2.144 737 1HB LEU 100 2HB LEU 100 -9.177 2.360 -3.772 738 2HB LEU 100 1HB LEU 100 -10.622 1.381 -3.604 739 HG LEU 100 HG LEU 100 -11.581 3.942 -4.123 740 1HD1 LEU 100 1HD1 LEU 100 -9.410 3.381 -6.117 741 2HD1 LEU 100 2HD1 LEU 100 -10.395 4.833 -5.935 742 3HD1 LEU 100 3HD1 LEU 100 -9.162 4.448 -4.733 743 1HD2 LEU 100 1HD2 LEU 100 -11.704 2.755 -6.540 744 2HD2 LEU 100 2HD2 LEU 100 -11.380 1.357 -5.515 745 3HD2 LEU 100 3HD2 LEU 100 -12.785 2.376 -5.199 746 H GLU 101 H GLU 101 -12.753 3.214 -2.652 747 HA GLU 101 HA GLU 101 -13.762 1.485 -0.507 748 1HB GLU 101 2HB GLU 101 -15.782 2.964 -1.984 749 2HB GLU 101 1HB GLU 101 -15.457 2.941 -0.255 750 1HG GLU 101 2HG GLU 101 -13.474 4.435 -1.772 751 2HG GLU 101 1HG GLU 101 -15.106 5.076 -1.944 752 H ASN 102 H ASN 102 -14.625 -0.421 -1.011 753 HA ASN 102 HA ASN 102 -14.640 -1.190 -3.807 754 1HB ASN 102 2HB ASN 102 -13.697 -2.528 -1.760 755 2HB ASN 102 1HB ASN 102 -15.370 -3.048 -1.571 756 1HD2 ASN 102 1HD2 ASN 102 -14.052 -5.098 -1.936 757 2HD2 ASN 102 2HD2 ASN 102 -13.971 -5.668 -3.575 758 H THR 103 H THR 103 -16.464 -2.949 -4.254 759 HA THR 103 HA THR 103 -18.813 -1.624 -4.757 760 HB THR 103 HB THR 103 -18.428 -4.593 -4.359 761 HG1 THR 103 1HG THR 103 -17.767 -2.788 -6.380 762 1HG2 THR 103 1HG2 THR 103 -20.762 -4.156 -4.388 763 2HG2 THR 103 2HG2 THR 103 -20.329 -4.743 -5.992 764 3HG2 THR 103 3HG2 THR 103 -20.600 -3.021 -5.730 765 H GLN 104 H GLN 104 -18.242 -3.943 -2.126 766 HA GLN 104 HA GLN 104 -20.699 -3.972 -0.943 767 1HB GLN 104 2HB GLN 104 -17.930 -4.331 0.073 768 2HB GLN 104 1HB GLN 104 -19.218 -4.183 1.262 769 1HG GLN 104 2HG GLN 104 -20.283 -5.989 -0.461 770 2HG GLN 104 1HG GLN 104 -18.567 -6.384 -0.554 771 1HE2 GLN 104 1HE2 GLN 104 -17.818 -7.726 0.903 772 2HE2 GLN 104 2HE2 GLN 104 -18.553 -8.084 2.439 773 H PHE 105 H PHE 105 -18.181 -1.523 -0.456 774 HA PHE 105 HA PHE 105 -20.218 0.203 0.740 775 1HB PHE 105 2HB PHE 105 -18.392 -1.019 2.349 776 2HB PHE 105 1HB PHE 105 -17.547 0.468 1.951 777 HD1 PHE 105 1HD PHE 105 -20.027 2.239 1.726 778 HD2 PHE 105 2HD PHE 105 -18.770 -0.614 4.630 779 HE1 PHE 105 1HE PHE 105 -21.318 3.428 3.452 780 HE2 PHE 105 2HE PHE 105 -20.058 0.574 6.358 781 HZ PHE 105 HZ PHE 105 -21.337 2.594 5.768 782 H ASP 106 H ASP 106 -20.255 1.317 -1.207 783 HA ASP 106 HA ASP 106 -17.782 2.697 -1.989 784 1HB ASP 106 2HB ASP 106 -19.191 1.414 -3.697 785 2HB ASP 106 1HB ASP 106 -20.388 2.682 -3.520 786 H ALA 107 H ALA 107 -20.500 4.256 -3.105 787 HA ALA 107 HA ALA 107 -21.535 6.214 -2.662 788 1HB ALA 107 1HB ALA 107 -22.677 5.560 -0.827 789 2HB ALA 107 2HB ALA 107 -21.226 5.033 0.024 790 3HB ALA 107 3HB ALA 107 -21.626 6.747 -0.055 791 H ALA 108 H ALA 108 -18.642 6.148 -3.113 792 HA ALA 108 HA ALA 108 -17.840 8.571 -1.634 793 1HB ALA 108 1HB ALA 108 -15.798 7.716 -1.459 794 2HB ALA 108 2HB ALA 108 -16.433 6.211 -2.123 795 3HB ALA 108 3HB ALA 108 -15.714 7.414 -3.194 796 H ASN 109 H ASN 109 -16.678 7.347 -4.741 797 HA ASN 109 HA ASN 109 -17.076 9.970 -5.939 798 1HB ASN 109 2HB ASN 109 -15.070 8.291 -6.302 799 2HB ASN 109 1HB ASN 109 -16.154 7.580 -7.492 800 1HD2 ASN 109 1HD2 ASN 109 -13.590 9.329 -7.439 801 2HD2 ASN 109 2HD2 ASN 109 -13.911 10.511 -8.668 802 H GLY 110 H GLY 110 -18.384 6.735 -6.020 803 1HA GLY 110 1HA GLY 110 -20.417 7.615 -7.965 804 2HA GLY 110 2HA GLY 110 -20.021 5.938 -7.610 805 H ILE 111 H ILE 111 -22.616 6.599 -7.544 806 HA ILE 111 HA ILE 111 -23.324 7.160 -4.763 807 HB ILE 111 HB ILE 111 -25.415 6.463 -6.762 808 1HG1 ILE 111 2HG1 ILE 111 -23.786 7.994 -7.948 809 2HG1 ILE 111 1HG1 ILE 111 -25.427 8.615 -7.809 810 1HG2 ILE 111 1HG2 ILE 111 -26.333 8.618 -5.498 811 2HG2 ILE 111 2HG2 ILE 111 -26.434 7.000 -4.807 812 3HG2 ILE 111 3HG2 ILE 111 -25.147 8.095 -4.305 813 1HD1 ILE 111 1HD1 ILE 111 -23.568 10.259 -7.381 814 2HD1 ILE 111 2HD1 ILE 111 -24.803 10.146 -6.126 815 3HD1 ILE 111 3HD1 ILE 111 -23.240 9.367 -5.896 816 H ASP 112 H ASP 112 -21.952 5.001 -4.691 817 HA ASP 112 HA ASP 112 -21.946 2.883 -3.861 818 1HB ASP 112 2HB ASP 112 -23.964 3.148 -2.633 819 2HB ASP 112 1HB ASP 112 -24.938 3.121 -4.098 820 H ASP 113 H ASP 113 -24.378 3.090 -6.384 821 HA ASP 113 HA ASP 113 -23.329 0.723 -7.702 822 1HB ASP 113 2HB ASP 113 -25.770 1.107 -7.592 823 2HB ASP 113 1HB ASP 113 -25.568 2.584 -8.529 824 H GLU 114 H GLU 114 -21.292 1.357 -8.370 825 HA GLU 114 HA GLU 114 -21.273 3.251 -10.619 826 1HB GLU 114 2HB GLU 114 -20.204 4.096 -8.424 827 2HB GLU 114 1HB GLU 114 -18.936 2.924 -8.742 828 1HG GLU 114 2HG GLU 114 -18.349 5.187 -9.477 829 2HG GLU 114 1HG GLU 114 -18.365 4.029 -10.803 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -20.294 -7.450 -11.965 2 2H GLY 1 2H GLY 1 -19.884 -7.288 -13.602 3 3H GLY 1 3H GLY 1 -18.716 -7.019 -12.404 4 1HA GLY 1 2HA GLY 1 -20.043 -9.631 -12.549 5 2HA GLY 1 1HA GLY 1 -18.766 -9.257 -13.698 6 H SER 2 H SER 2 -16.651 -8.848 -12.923 7 HA SER 2 HA SER 2 -16.092 -10.272 -10.443 8 1HB SER 2 2HB SER 2 -13.990 -9.153 -12.271 9 2HB SER 2 1HB SER 2 -13.940 -10.609 -11.277 10 HG SER 2 HG SER 2 -15.636 -11.430 -12.729 11 H LEU 3 H LEU 3 -15.260 -9.351 -8.636 12 HA LEU 3 HA LEU 3 -15.592 -6.541 -8.326 13 1HB LEU 3 2HB LEU 3 -14.390 -8.591 -6.460 14 2HB LEU 3 1HB LEU 3 -14.777 -6.940 -6.013 15 HG LEU 3 HG LEU 3 -16.951 -8.660 -7.117 16 1HD1 LEU 3 1HD1 LEU 3 -15.877 -10.092 -5.471 17 2HD1 LEU 3 2HD1 LEU 3 -15.948 -8.796 -4.277 18 3HD1 LEU 3 3HD1 LEU 3 -17.438 -9.520 -4.883 19 1HD2 LEU 3 1HD2 LEU 3 -18.315 -7.112 -6.230 20 2HD2 LEU 3 2HD2 LEU 3 -17.336 -6.928 -4.774 21 3HD2 LEU 3 3HD2 LEU 3 -16.872 -6.099 -6.259 22 H LEU 4 H LEU 4 -12.813 -7.659 -6.659 23 HA LEU 4 HA LEU 4 -11.032 -6.251 -8.523 24 1HB LEU 4 2HB LEU 4 -10.779 -5.965 -5.545 25 2HB LEU 4 1HB LEU 4 -10.036 -4.996 -6.804 26 HG LEU 4 HG LEU 4 -12.937 -4.857 -6.891 27 1HD1 LEU 4 1HD1 LEU 4 -11.511 -4.019 -4.376 28 2HD1 LEU 4 2HD1 LEU 4 -13.121 -3.472 -4.839 29 3HD1 LEU 4 3HD1 LEU 4 -12.828 -5.181 -4.522 30 1HD2 LEU 4 1HD2 LEU 4 -12.487 -2.766 -7.583 31 2HD2 LEU 4 2HD2 LEU 4 -11.320 -2.480 -6.291 32 3HD2 LEU 4 3HD2 LEU 4 -10.835 -3.366 -7.737 33 H THR 5 H THR 5 -8.740 -6.749 -8.158 34 HA THR 5 HA THR 5 -8.270 -9.249 -6.704 35 HB THR 5 HB THR 5 -6.632 -9.679 -8.790 36 HG1 THR 5 1HG THR 5 -8.961 -8.717 -10.092 37 1HG2 THR 5 1HG2 THR 5 -9.196 -10.678 -9.571 38 2HG2 THR 5 2HG2 THR 5 -9.059 -10.744 -7.814 39 3HG2 THR 5 3HG2 THR 5 -7.853 -11.543 -8.824 40 H CYS 6 H CYS 6 -6.338 -9.311 -5.659 41 HA CYS 6 HA CYS 6 -4.802 -6.851 -5.696 42 1HB CYS 6 2HB CYS 6 -5.075 -7.288 -3.498 43 2HB CYS 6 1HB CYS 6 -5.364 -9.001 -3.774 44 H GLY 7 H GLY 7 -2.560 -6.786 -5.942 45 1HA GLY 7 1HA GLY 7 -1.595 -8.333 -8.084 46 2HA GLY 7 2HA GLY 7 -0.632 -7.242 -7.102 47 H GLY 8 H GLY 8 -1.630 -8.978 -4.734 48 1HA GLY 8 1HA GLY 8 0.417 -11.079 -5.094 49 2HA GLY 8 2HA GLY 8 -0.036 -10.374 -3.545 50 H CYS 9 H CYS 9 -2.917 -10.552 -4.833 51 HA CYS 9 HA CYS 9 -3.373 -13.393 -4.582 52 1HB CYS 9 2HB CYS 9 -5.227 -11.676 -3.005 53 2HB CYS 9 1HB CYS 9 -4.804 -13.371 -2.788 54 H GLN 10 H GLN 10 -3.890 -13.313 -6.686 55 HA GLN 10 HA GLN 10 -6.022 -11.684 -7.719 56 1HB GLN 10 2HB GLN 10 -3.971 -13.059 -8.857 57 2HB GLN 10 1HB GLN 10 -5.304 -14.165 -9.133 58 1HG GLN 10 2HG GLN 10 -6.519 -12.037 -10.022 59 2HG GLN 10 1HG GLN 10 -4.877 -11.413 -10.187 60 1HE2 GLN 10 1HE2 GLN 10 -3.481 -13.603 -10.952 61 2HE2 GLN 10 2HE2 GLN 10 -4.053 -14.171 -12.496 62 H GLN 11 H GLN 11 -6.316 -13.606 -5.372 63 HA GLN 11 HA GLN 11 -8.320 -15.502 -6.205 64 1HB GLN 11 2HB GLN 11 -8.359 -16.204 -3.955 65 2HB GLN 11 1HB GLN 11 -6.685 -15.768 -4.253 66 1HG GLN 11 2HG GLN 11 -6.710 -14.226 -2.656 67 2HG GLN 11 1HG GLN 11 -8.209 -13.519 -3.261 68 1HE2 GLN 11 1HE2 GLN 11 -7.303 -14.045 -0.514 69 2HE2 GLN 11 2HE2 GLN 11 -8.537 -15.038 0.201 70 H ASN 12 H ASN 12 -8.320 -12.313 -6.056 71 HA ASN 12 HA ASN 12 -9.972 -10.772 -6.264 72 1HB ASN 12 2HB ASN 12 -11.451 -12.894 -6.779 73 2HB ASN 12 1HB ASN 12 -12.096 -12.568 -5.172 74 1HD2 ASN 12 1HD2 ASN 12 -12.011 -11.625 -8.455 75 2HD2 ASN 12 2HD2 ASN 12 -13.127 -10.302 -8.333 76 H ILE 13 H ILE 13 -10.385 -9.163 -4.941 77 HA ILE 13 HA ILE 13 -9.950 -9.522 -2.102 78 HB ILE 13 HB ILE 13 -10.680 -6.981 -3.537 79 1HG1 ILE 13 2HG1 ILE 13 -7.863 -7.655 -2.821 80 2HG1 ILE 13 1HG1 ILE 13 -8.548 -8.366 -4.276 81 1HG2 ILE 13 1HG2 ILE 13 -10.604 -6.052 -1.526 82 2HG2 ILE 13 2HG2 ILE 13 -10.242 -7.621 -0.805 83 3HG2 ILE 13 3HG2 ILE 13 -8.928 -6.577 -1.349 84 1HD1 ILE 13 1HD1 ILE 13 -8.662 -6.368 -5.366 85 2HD1 ILE 13 2HD1 ILE 13 -8.812 -5.439 -3.871 86 3HD1 ILE 13 3HD1 ILE 13 -7.245 -6.100 -4.347 87 H GLY 14 H GLY 14 -11.560 -10.161 -0.856 88 1HA GLY 14 1HA GLY 14 -14.311 -9.379 -1.601 89 2HA GLY 14 2HA GLY 14 -13.878 -10.850 -0.732 90 H ASP 15 H ASP 15 -12.077 -8.230 0.335 91 HA ASP 15 HA ASP 15 -13.569 -8.177 2.819 92 1HB ASP 15 2HB ASP 15 -10.986 -6.810 2.037 93 2HB ASP 15 1HB ASP 15 -11.707 -6.753 3.643 94 H ARG 16 H ARG 16 -13.619 -5.852 3.875 95 HA ARG 16 HA ARG 16 -15.446 -4.424 2.167 96 1HB ARG 16 2HB ARG 16 -16.380 -3.639 4.067 97 2HB ARG 16 1HB ARG 16 -15.448 -4.922 4.822 98 1HG ARG 16 2HG ARG 16 -14.354 -3.446 6.054 99 2HG ARG 16 1HG ARG 16 -13.820 -2.582 4.612 100 1HD ARG 16 2HD ARG 16 -15.403 -0.988 4.823 101 2HD ARG 16 1HD ARG 16 -16.626 -2.134 5.371 102 HE ARG 16 HE ARG 16 -14.729 -1.829 7.410 103 1HH1 ARG 16 2HH1 ARG 16 -17.192 0.085 5.792 104 2HH1 ARG 16 1HH1 ARG 16 -17.505 1.077 7.181 105 1HH2 ARG 16 2HH2 ARG 16 -15.166 -0.540 9.229 106 2HH2 ARG 16 1HH2 ARG 16 -16.392 0.686 9.152 107 H TYR 17 H TYR 17 -12.187 -3.951 3.326 108 HA TYR 17 HA TYR 17 -12.104 -1.423 1.815 109 1HB TYR 17 2HB TYR 17 -11.951 -1.543 4.567 110 2HB TYR 17 1HB TYR 17 -10.261 -1.578 4.096 111 HD1 TYR 17 1HD TYR 17 -13.407 0.331 3.566 112 HD2 TYR 17 2HD TYR 17 -9.156 0.419 3.599 113 HE1 TYR 17 1HE TYR 17 -13.465 2.774 3.297 114 HE2 TYR 17 2HE TYR 17 -9.203 2.860 3.327 115 HH TYR 17 HH TYR 17 -11.823 4.560 2.328 116 H PHE 18 H PHE 18 -10.005 -0.941 0.907 117 HA PHE 18 HA PHE 18 -7.884 -2.849 1.168 118 1HB PHE 18 2HB PHE 18 -7.841 -3.722 -1.046 119 2HB PHE 18 1HB PHE 18 -9.459 -3.976 -0.422 120 HD1 PHE 18 1HD PHE 18 -11.132 -1.918 -1.010 121 HD2 PHE 18 2HD PHE 18 -7.656 -3.038 -3.199 122 HE1 PHE 18 1HE PHE 18 -12.063 -0.869 -3.025 123 HE2 PHE 18 2HE PHE 18 -8.580 -1.978 -5.214 124 HZ PHE 18 HZ PHE 18 -10.789 -0.895 -5.129 125 H LEU 19 H LEU 19 -6.148 -2.368 -0.532 126 HA LEU 19 HA LEU 19 -5.959 0.551 -0.908 127 1HB LEU 19 2HB LEU 19 -4.046 -1.431 0.208 128 2HB LEU 19 1HB LEU 19 -3.377 -0.200 -0.842 129 HG LEU 19 HG LEU 19 -5.068 0.472 1.558 130 1HD1 LEU 19 1HD1 LEU 19 -2.968 0.909 2.746 131 2HD1 LEU 19 2HD1 LEU 19 -3.148 -0.795 2.334 132 3HD1 LEU 19 3HD1 LEU 19 -2.069 0.231 1.392 133 1HD2 LEU 19 1HD2 LEU 19 -3.463 1.979 -0.431 134 2HD2 LEU 19 2HD2 LEU 19 -4.988 2.401 0.357 135 3HD2 LEU 19 3HD2 LEU 19 -3.468 2.557 1.238 136 H LYS 20 H LYS 20 -5.329 1.221 -2.932 137 HA LYS 20 HA LYS 20 -4.103 -0.568 -4.811 138 1HB LYS 20 2HB LYS 20 -5.945 -1.431 -5.761 139 2HB LYS 20 1HB LYS 20 -6.958 -0.540 -4.639 140 1HG LYS 20 2HG LYS 20 -6.086 1.236 -6.684 141 2HG LYS 20 1HG LYS 20 -6.725 -0.212 -7.432 142 1HD LYS 20 2HD LYS 20 -8.817 0.042 -6.343 143 2HD LYS 20 1HD LYS 20 -8.178 1.287 -5.267 144 1HE LYS 20 2HE LYS 20 -9.050 2.740 -6.722 145 2HE LYS 20 1HE LYS 20 -7.664 2.342 -7.735 146 1HZ LYS 20 1HZ LYS 20 -8.919 1.056 -9.112 147 2HZ LYS 20 2HZ LYS 20 -10.099 2.177 -8.640 148 3HZ LYS 20 3HZ LYS 20 -10.052 0.649 -7.912 149 H ALA 21 H ALA 21 -3.502 0.584 -6.810 150 HA ALA 21 HA ALA 21 -4.475 2.812 -7.870 151 1HB ALA 21 1HB ALA 21 -4.353 4.352 -6.214 152 2HB ALA 21 2HB ALA 21 -2.891 3.659 -5.514 153 3HB ALA 21 3HB ALA 21 -2.790 4.634 -6.981 154 H ILE 22 H ILE 22 -1.515 1.200 -7.025 155 HA ILE 22 HA ILE 22 0.355 2.412 -8.583 156 HB ILE 22 HB ILE 22 0.012 -0.550 -8.091 157 1HG1 ILE 22 2HG1 ILE 22 1.779 1.505 -6.746 158 2HG1 ILE 22 1HG1 ILE 22 0.271 0.886 -6.087 159 1HG2 ILE 22 1HG2 ILE 22 1.693 -0.953 -9.470 160 2HG2 ILE 22 2HG2 ILE 22 1.835 0.774 -9.836 161 3HG2 ILE 22 3HG2 ILE 22 2.732 0.088 -8.475 162 1HD1 ILE 22 1HD1 ILE 22 1.581 -1.422 -6.492 163 2HD1 ILE 22 2HD1 ILE 22 2.941 -0.340 -6.197 164 3HD1 ILE 22 3HD1 ILE 22 1.664 -0.497 -4.992 165 H ASP 23 H ASP 23 -2.127 0.203 -9.603 166 HA ASP 23 HA ASP 23 -2.631 1.129 -12.093 167 1HB ASP 23 2HB ASP 23 -0.193 0.396 -12.557 168 2HB ASP 23 1HB ASP 23 -0.801 -1.252 -12.455 169 H GLN 24 H GLN 24 -2.415 -1.272 -9.794 170 HA GLN 24 HA GLN 24 -4.722 -2.737 -10.870 171 1HB GLN 24 2HB GLN 24 -3.749 -4.798 -10.037 172 2HB GLN 24 1HB GLN 24 -2.591 -4.011 -11.097 173 1HG GLN 24 2HG GLN 24 -2.529 -4.006 -8.084 174 2HG GLN 24 1HG GLN 24 -1.502 -4.962 -9.144 175 1HE2 GLN 24 1HE2 GLN 24 0.290 -3.990 -10.091 176 2HE2 GLN 24 2HE2 GLN 24 0.785 -2.370 -9.733 177 H TYR 25 H TYR 25 -5.084 -4.382 -8.655 178 HA TYR 25 HA TYR 25 -5.646 -2.434 -6.521 179 1HB TYR 25 2HB TYR 25 -7.147 -5.026 -6.796 180 2HB TYR 25 1HB TYR 25 -7.616 -3.563 -5.936 181 HD1 TYR 25 1HD TYR 25 -7.668 -1.430 -7.673 182 HD2 TYR 25 2HD TYR 25 -8.441 -5.499 -8.623 183 HE1 TYR 25 1HE TYR 25 -8.999 -0.716 -9.612 184 HE2 TYR 25 2HE TYR 25 -9.767 -4.799 -10.576 185 HH TYR 25 HH TYR 25 -9.688 -2.475 -12.117 186 H TRP 26 H TRP 26 -5.555 -3.338 -4.328 187 HA TRP 26 HA TRP 26 -3.896 -5.739 -4.083 188 1HB TRP 26 2HB TRP 26 -3.313 -3.151 -2.623 189 2HB TRP 26 1HB TRP 26 -2.422 -4.658 -2.473 190 HD1 TRP 26 HD TRP 26 -2.831 -1.636 -4.745 191 HE1 TRP 26 1HE TRP 26 -0.926 -1.629 -6.470 192 HE3 TRP 26 3HE TRP 26 -0.841 -6.228 -3.736 193 HZ2 TRP 26 2HZ TRP 26 1.166 -3.353 -7.281 194 HZ3 TRP 26 3HZ TRP 26 1.101 -6.987 -5.032 195 HH2 TRP 26 HH TRP 26 2.086 -5.573 -6.771 196 H HIS 27 H HIS 27 -3.514 -5.808 -1.509 197 HA HIS 27 HA HIS 27 -6.150 -5.578 -0.218 198 1HB HIS 27 2HB HIS 27 -3.894 -7.537 0.237 199 2HB HIS 27 1HB HIS 27 -5.032 -7.164 1.521 200 HD2 HIS 27 2HD HIS 27 -7.833 -7.660 0.581 201 HE1 HIS 27 1HE HIS 27 -6.432 -10.949 -1.712 202 HE2 HIS 27 2HE HIS 27 -8.435 -9.961 -0.476 203 H GLU 28 H GLU 28 -6.073 -4.613 1.918 204 HA GLU 28 HA GLU 28 -4.475 -2.368 2.061 205 1HB GLU 28 2HB GLU 28 -6.300 -3.810 3.869 206 2HB GLU 28 1HB GLU 28 -5.165 -2.725 4.650 207 1HG GLU 28 2HG GLU 28 -6.286 -1.392 2.408 208 2HG GLU 28 1HG GLU 28 -7.588 -2.104 3.358 209 H ASP 29 H ASP 29 -4.101 -5.404 3.895 210 HA ASP 29 HA ASP 29 -1.508 -4.488 4.865 211 1HB ASP 29 2HB ASP 29 -3.464 -5.921 6.082 212 2HB ASP 29 1HB ASP 29 -2.411 -7.221 5.532 213 H CYS 30 H CYS 30 -2.252 -5.518 2.019 214 HA CYS 30 HA CYS 30 -0.334 -7.704 1.807 215 1HB CYS 30 2HB CYS 30 -2.577 -6.743 0.201 216 2HB CYS 30 1HB CYS 30 -1.158 -7.189 -0.746 217 H LEU 31 H LEU 31 -0.771 -4.383 0.830 218 HA LEU 31 HA LEU 31 1.687 -4.249 -0.646 219 1HB LEU 31 2HB LEU 31 -0.517 -2.451 0.043 220 2HB LEU 31 1HB LEU 31 1.047 -1.663 0.066 221 HG LEU 31 HG LEU 31 -0.211 -3.108 -2.263 222 1HD1 LEU 31 1HD1 LEU 31 0.675 -0.359 -2.603 223 2HD1 LEU 31 2HD1 LEU 31 -0.860 -1.119 -3.022 224 3HD1 LEU 31 3HD1 LEU 31 -0.583 -0.537 -1.381 225 1HD2 LEU 31 1HD2 LEU 31 1.724 -2.936 -3.468 226 2HD2 LEU 31 2HD2 LEU 31 2.342 -1.597 -2.497 227 3HD2 LEU 31 3HD2 LEU 31 2.387 -3.243 -1.859 228 H SER 32 H SER 32 2.693 -5.405 1.290 229 HA SER 32 HA SER 32 3.594 -3.485 3.323 230 1HB SER 32 2HB SER 32 4.326 -6.087 4.101 231 2HB SER 32 1HB SER 32 3.014 -5.109 4.759 232 HG SER 32 HG SER 32 1.583 -6.103 3.432 233 H CYS 33 H CYS 33 5.837 -4.041 4.190 234 HA CYS 33 HA CYS 33 7.707 -3.728 2.114 235 1HB CYS 33 2HB CYS 33 7.730 -3.929 5.070 236 2HB CYS 33 1HB CYS 33 9.242 -4.261 4.241 237 H ASP 34 H ASP 34 9.622 -5.068 1.786 238 HA ASP 34 HA ASP 34 8.892 -7.887 1.668 239 1HB ASP 34 2HB ASP 34 10.019 -6.351 -0.205 240 2HB ASP 34 1HB ASP 34 11.486 -6.925 0.581 241 H LEU 35 H LEU 35 11.650 -5.921 2.755 242 HA LEU 35 HA LEU 35 12.698 -8.213 4.206 243 1HB LEU 35 2HB LEU 35 14.289 -6.895 2.976 244 2HB LEU 35 1HB LEU 35 13.776 -5.431 3.792 245 HG LEU 35 HG LEU 35 14.562 -6.620 5.951 246 1HD1 LEU 35 1HD1 LEU 35 15.537 -8.431 3.825 247 2HD1 LEU 35 2HD1 LEU 35 16.661 -8.057 5.132 248 3HD1 LEU 35 3HD1 LEU 35 15.092 -8.777 5.496 249 1HD2 LEU 35 1HD2 LEU 35 16.739 -5.877 4.029 250 2HD2 LEU 35 2HD2 LEU 35 15.613 -4.677 4.659 251 3HD2 LEU 35 3HD2 LEU 35 16.646 -5.582 5.764 252 H CYS 36 H CYS 36 11.654 -4.882 4.975 253 HA CYS 36 HA CYS 36 11.943 -5.054 7.744 254 1HB CYS 36 2HB CYS 36 9.778 -3.474 6.362 255 2HB CYS 36 1HB CYS 36 10.596 -3.099 7.876 256 H GLY 37 H GLY 37 9.184 -5.828 5.687 257 1HA GLY 37 1HA GLY 37 7.570 -7.442 6.002 258 2HA GLY 37 2HA GLY 37 8.338 -7.840 7.538 259 H CYS 38 H CYS 38 7.480 -4.534 7.106 260 HA CYS 38 HA CYS 38 5.306 -4.910 9.026 261 1HB CYS 38 2HB CYS 38 5.515 -2.214 8.786 262 2HB CYS 38 1HB CYS 38 6.441 -3.175 9.934 263 HG CYS 38 HG CYS 38 8.229 -1.390 8.911 264 H ARG 39 H ARG 39 5.148 -2.048 7.144 265 HA ARG 39 HA ARG 39 3.455 -3.157 5.086 266 1HB ARG 39 2HB ARG 39 2.161 -2.542 7.409 267 2HB ARG 39 1HB ARG 39 2.034 -1.022 6.535 268 1HG ARG 39 2HG ARG 39 1.365 -2.892 4.632 269 2HG ARG 39 1HG ARG 39 0.651 -3.539 6.111 270 1HD ARG 39 2HD ARG 39 0.206 -0.700 5.922 271 2HD ARG 39 1HD ARG 39 -0.362 -1.515 4.465 272 HE ARG 39 HE ARG 39 -1.216 -2.852 6.841 273 1HH1 ARG 39 2HH1 ARG 39 -1.926 -0.161 4.714 274 2HH1 ARG 39 1HH1 ARG 39 -3.622 -0.124 5.110 275 1HH2 ARG 39 2HH2 ARG 39 -3.432 -2.752 7.424 276 2HH2 ARG 39 1HH2 ARG 39 -4.456 -1.554 6.684 277 H LEU 40 H LEU 40 5.896 -1.774 5.058 278 HA LEU 40 HA LEU 40 6.995 -0.071 4.068 279 1HB LEU 40 2HB LEU 40 4.559 -0.487 2.544 280 2HB LEU 40 1HB LEU 40 5.159 1.156 2.394 281 HG LEU 40 HG LEU 40 7.353 -0.649 2.111 282 1HD1 LEU 40 1HD1 LEU 40 6.681 -1.862 0.133 283 2HD1 LEU 40 2HD1 LEU 40 5.638 -2.291 1.490 284 3HD1 LEU 40 3HD1 LEU 40 5.054 -1.191 0.239 285 1HD2 LEU 40 1HD2 LEU 40 5.953 1.406 0.459 286 2HD2 LEU 40 2HD2 LEU 40 7.571 1.442 1.160 287 3HD2 LEU 40 3HD2 LEU 40 7.239 0.423 -0.241 288 H GLY 41 H GLY 41 4.296 1.931 3.402 289 1HA GLY 41 1HA GLY 41 5.248 3.833 5.417 290 2HA GLY 41 2HA GLY 41 4.216 4.207 4.040 291 H GLU 42 H GLU 42 3.073 1.438 5.380 292 HA GLU 42 HA GLU 42 1.361 0.826 6.706 293 1HB GLU 42 2HB GLU 42 2.252 3.319 8.042 294 2HB GLU 42 1HB GLU 42 0.683 2.666 8.498 295 1HG GLU 42 2HG GLU 42 1.614 1.070 9.723 296 2HG GLU 42 1HG GLU 42 2.698 0.605 8.412 297 H VAL 43 H VAL 43 0.932 4.319 6.160 298 HA VAL 43 HA VAL 43 -1.818 3.794 5.274 299 HB VAL 43 HB VAL 43 -1.416 6.547 5.150 300 1HG1 VAL 43 1HG1 VAL 43 -2.627 6.157 7.573 301 2HG1 VAL 43 2HG1 VAL 43 -3.436 6.148 6.005 302 3HG1 VAL 43 3HG1 VAL 43 -2.925 4.629 6.744 303 1HG2 VAL 43 1HG2 VAL 43 0.541 5.494 6.904 304 2HG2 VAL 43 2HG2 VAL 43 0.133 7.184 6.606 305 3HG2 VAL 43 3HG2 VAL 43 -0.683 6.291 7.889 306 H GLY 44 H GLY 44 -2.468 5.413 3.416 307 1HA GLY 44 1HA GLY 44 -0.726 4.776 1.183 308 2HA GLY 44 2HA GLY 44 -2.312 5.530 1.094 309 H ARG 45 H ARG 45 0.732 6.373 2.706 310 HA ARG 45 HA ARG 45 0.447 9.124 1.771 311 1HB ARG 45 2HB ARG 45 2.697 9.216 3.233 312 2HB ARG 45 1HB ARG 45 1.096 9.330 3.948 313 1HG ARG 45 2HG ARG 45 1.148 7.095 4.677 314 2HG ARG 45 1HG ARG 45 2.532 6.709 3.652 315 1HD ARG 45 2HD ARG 45 3.255 6.904 5.943 316 2HD ARG 45 1HD ARG 45 3.916 8.239 4.998 317 HE ARG 45 HE ARG 45 1.506 9.097 6.124 318 1HH1 ARG 45 2HH1 ARG 45 4.686 8.081 7.183 319 2HH1 ARG 45 1HH1 ARG 45 4.684 9.104 8.593 320 1HH2 ARG 45 2HH2 ARG 45 1.483 10.416 7.980 321 2HH2 ARG 45 1HH2 ARG 45 2.843 10.416 9.061 322 H ARG 46 H ARG 46 3.239 6.942 2.077 323 HA ARG 46 HA ARG 46 3.902 7.456 -0.717 324 1HB ARG 46 2HB ARG 46 6.348 7.549 -0.009 325 2HB ARG 46 1HB ARG 46 5.375 8.973 0.332 326 1HG ARG 46 2HG ARG 46 5.853 8.847 2.488 327 2HG ARG 46 1HG ARG 46 5.284 7.178 2.561 328 1HD ARG 46 2HD ARG 46 7.575 7.230 3.258 329 2HD ARG 46 1HD ARG 46 7.490 6.449 1.680 330 HE ARG 46 HE ARG 46 8.198 8.672 0.756 331 1HH1 ARG 46 2HH1 ARG 46 8.991 7.719 4.031 332 2HH1 ARG 46 1HH1 ARG 46 10.419 8.703 4.120 333 1HH2 ARG 46 2HH2 ARG 46 10.056 9.997 0.871 334 2HH2 ARG 46 1HH2 ARG 46 11.019 10.007 2.319 335 H LEU 47 H LEU 47 4.431 5.631 -1.764 336 HA LEU 47 HA LEU 47 5.262 3.295 -0.201 337 1HB LEU 47 2HB LEU 47 2.667 3.590 -0.948 338 2HB LEU 47 1HB LEU 47 3.313 2.745 -2.343 339 HG LEU 47 HG LEU 47 4.087 1.559 0.227 340 1HD1 LEU 47 1HD1 LEU 47 2.020 1.937 1.116 341 2HD1 LEU 47 2HD1 LEU 47 1.237 2.025 -0.462 342 3HD1 LEU 47 3HD1 LEU 47 1.689 0.458 0.210 343 1HD2 LEU 47 1HD2 LEU 47 2.648 0.252 -2.049 344 2HD2 LEU 47 2HD2 LEU 47 4.355 0.679 -2.173 345 3HD2 LEU 47 3HD2 LEU 47 3.814 -0.443 -0.922 346 H TYR 48 H TYR 48 6.927 2.336 -1.084 347 HA TYR 48 HA TYR 48 7.551 2.819 -3.911 348 1HB TYR 48 2HB TYR 48 9.366 1.620 -1.806 349 2HB TYR 48 1HB TYR 48 9.821 2.179 -3.409 350 HD1 TYR 48 1HD TYR 48 8.615 3.333 -0.093 351 HD2 TYR 48 2HD TYR 48 10.486 4.409 -3.761 352 HE1 TYR 48 1HE TYR 48 9.174 5.537 0.841 353 HE2 TYR 48 2HE TYR 48 11.048 6.610 -2.836 354 HH TYR 48 HH TYR 48 9.754 8.067 -0.675 355 H TYR 49 H TYR 49 8.189 0.995 -5.203 356 HA TYR 49 HA TYR 49 8.062 -1.618 -4.133 357 1HB TYR 49 2HB TYR 49 6.058 -2.421 -4.774 358 2HB TYR 49 1HB TYR 49 5.572 -0.727 -4.699 359 HD1 TYR 49 1HD TYR 49 5.694 -3.643 -6.670 360 HD2 TYR 49 2HD TYR 49 5.751 0.600 -6.962 361 HE1 TYR 49 1HE TYR 49 4.964 -3.800 -9.011 362 HE2 TYR 49 2HE TYR 49 5.037 0.455 -9.308 363 HH TYR 49 HH TYR 49 4.511 -0.876 -10.998 364 H LYS 50 H LYS 50 9.095 -3.065 -5.377 365 HA LYS 50 HA LYS 50 10.645 -1.983 -7.563 366 1HB LYS 50 2HB LYS 50 10.762 -4.327 -5.784 367 2HB LYS 50 1HB LYS 50 11.307 -4.628 -7.426 368 1HG LYS 50 2HG LYS 50 12.384 -2.170 -6.297 369 2HG LYS 50 1HG LYS 50 12.825 -3.614 -5.382 370 1HD LYS 50 2HD LYS 50 13.940 -4.566 -7.187 371 2HD LYS 50 1HD LYS 50 13.099 -3.553 -8.364 372 1HE LYS 50 2HE LYS 50 14.322 -1.606 -7.611 373 2HE LYS 50 1HE LYS 50 15.105 -2.554 -6.344 374 1HZ LYS 50 1HZ LYS 50 15.771 -3.976 -8.481 375 2HZ LYS 50 2HZ LYS 50 16.712 -2.687 -7.901 376 3HZ LYS 50 3HZ LYS 50 15.651 -2.444 -9.203 377 H LEU 51 H LEU 51 10.942 -3.485 -9.519 378 HA LEU 51 HA LEU 51 8.965 -3.366 -11.239 379 1HB LEU 51 2HB LEU 51 10.004 -5.977 -11.740 380 2HB LEU 51 1HB LEU 51 10.278 -4.493 -12.615 381 HG LEU 51 HG LEU 51 12.373 -5.524 -12.025 382 1HD1 LEU 51 1HD1 LEU 51 11.688 -2.876 -11.444 383 2HD1 LEU 51 2HD1 LEU 51 12.745 -3.413 -10.134 384 3HD1 LEU 51 3HD1 LEU 51 13.284 -3.532 -11.811 385 1HD2 LEU 51 1HD2 LEU 51 12.809 -5.310 -9.364 386 2HD2 LEU 51 2HD2 LEU 51 11.118 -5.798 -9.389 387 3HD2 LEU 51 3HD2 LEU 51 12.335 -6.793 -10.185 388 H GLY 52 H GLY 52 9.216 -6.195 -9.067 389 1HA GLY 52 1HA GLY 52 6.326 -6.549 -9.427 390 2HA GLY 52 2HA GLY 52 7.377 -7.914 -9.763 391 H ARG 53 H ARG 53 8.242 -5.737 -7.194 392 HA ARG 53 HA ARG 53 7.049 -7.509 -5.194 393 1HB ARG 53 2HB ARG 53 9.609 -6.976 -4.179 394 2HB ARG 53 1HB ARG 53 8.962 -8.528 -4.686 395 1HG ARG 53 2HG ARG 53 9.750 -7.974 -7.007 396 2HG ARG 53 1HG ARG 53 10.604 -6.604 -6.301 397 1HD ARG 53 2HD ARG 53 12.281 -7.933 -5.722 398 2HD ARG 53 1HD ARG 53 11.179 -8.908 -4.749 399 HE ARG 53 HE ARG 53 11.143 -9.470 -7.582 400 1HH1 ARG 53 2HH1 ARG 53 12.536 -10.260 -4.468 401 2HH1 ARG 53 1HH1 ARG 53 13.006 -11.870 -4.937 402 1HH2 ARG 53 2HH2 ARG 53 11.756 -11.582 -8.215 403 2HH2 ARG 53 1HH2 ARG 53 12.584 -12.612 -7.084 404 H LYS 54 H LYS 54 6.194 -6.394 -3.582 405 HA LYS 54 HA LYS 54 6.541 -3.537 -3.456 406 1HB LYS 54 2HB LYS 54 5.106 -4.803 -1.234 407 2HB LYS 54 1HB LYS 54 4.589 -3.521 -2.319 408 1HG LYS 54 2HG LYS 54 3.572 -4.955 -3.748 409 2HG LYS 54 1HG LYS 54 4.732 -6.251 -3.451 410 1HD LYS 54 2HD LYS 54 3.558 -6.083 -1.028 411 2HD LYS 54 1HD LYS 54 2.214 -5.600 -2.064 412 1HE LYS 54 2HE LYS 54 1.902 -7.687 -2.785 413 2HE LYS 54 1HE LYS 54 3.621 -7.901 -3.128 414 1HZ LYS 54 1HZ LYS 54 3.529 -8.000 -0.427 415 2HZ LYS 54 2HZ LYS 54 3.552 -9.352 -1.451 416 3HZ LYS 54 3HZ LYS 54 2.074 -8.764 -0.857 417 H LEU 55 H LEU 55 8.121 -2.577 -2.394 418 HA LEU 55 HA LEU 55 8.780 -3.272 0.299 419 1HB LEU 55 2HB LEU 55 10.860 -4.169 0.094 420 2HB LEU 55 1HB LEU 55 10.155 -4.792 -1.382 421 HG LEU 55 HG LEU 55 11.831 -2.288 -1.266 422 1HD1 LEU 55 1HD1 LEU 55 13.299 -4.002 -0.614 423 2HD1 LEU 55 2HD1 LEU 55 12.587 -5.158 -1.737 424 3HD1 LEU 55 3HD1 LEU 55 13.557 -3.817 -2.346 425 1HD2 LEU 55 1HD2 LEU 55 10.155 -2.782 -3.176 426 2HD2 LEU 55 2HD2 LEU 55 11.804 -2.313 -3.586 427 3HD2 LEU 55 3HD2 LEU 55 11.324 -4.008 -3.665 428 H CYS 56 H CYS 56 10.230 -1.631 1.253 429 HA CYS 56 HA CYS 56 9.630 0.916 0.059 430 1HB CYS 56 2HB CYS 56 10.507 1.920 2.071 431 2HB CYS 56 1HB CYS 56 9.446 0.592 2.500 432 H ARG 57 H ARG 57 11.537 2.572 0.612 433 HA ARG 57 HA ARG 57 13.655 1.868 -1.258 434 1HB ARG 57 2HB ARG 57 12.328 4.143 -1.054 435 2HB ARG 57 1HB ARG 57 13.536 4.496 0.175 436 1HG ARG 57 2HG ARG 57 14.398 5.428 -1.776 437 2HG ARG 57 1HG ARG 57 15.262 3.897 -1.616 438 1HD ARG 57 2HD ARG 57 13.519 2.895 -3.141 439 2HD ARG 57 1HD ARG 57 12.963 4.542 -3.449 440 HE ARG 57 HE ARG 57 15.649 4.640 -3.946 441 1HH1 ARG 57 2HH1 ARG 57 12.920 2.861 -5.252 442 2HH1 ARG 57 1HH1 ARG 57 13.745 2.435 -6.722 443 1HH2 ARG 57 2HH2 ARG 57 16.715 4.119 -5.865 444 2HH2 ARG 57 1HH2 ARG 57 15.909 3.160 -7.076 445 H ARG 58 H ARG 58 13.085 1.727 2.046 446 HA ARG 58 HA ARG 58 15.821 2.249 2.812 447 1HB ARG 58 2HB ARG 58 13.446 1.480 4.496 448 2HB ARG 58 1HB ARG 58 15.026 1.948 5.115 449 1HG ARG 58 2HG ARG 58 13.922 3.938 5.285 450 2HG ARG 58 1HG ARG 58 14.588 4.087 3.656 451 1HD ARG 58 2HD ARG 58 12.537 4.414 2.917 452 2HD ARG 58 1HD ARG 58 12.202 2.734 3.322 453 HE ARG 58 HE ARG 58 11.508 5.090 4.931 454 1HH1 ARG 58 2HH1 ARG 58 11.283 1.631 4.382 455 2HH1 ARG 58 1HH1 ARG 58 10.067 1.395 5.609 456 1HH2 ARG 58 2HH2 ARG 58 9.904 4.785 6.509 457 2HH2 ARG 58 1HH2 ARG 58 9.276 3.186 6.813 458 H ASP 59 H ASP 59 13.557 -0.464 2.717 459 HA ASP 59 HA ASP 59 15.642 -2.241 3.673 460 1HB ASP 59 2HB ASP 59 14.053 -3.848 4.061 461 2HB ASP 59 1HB ASP 59 13.122 -2.382 4.284 462 H TYR 60 H TYR 60 14.454 -1.090 0.745 463 HA TYR 60 HA TYR 60 15.588 -3.148 -0.942 464 1HB TYR 60 2HB TYR 60 14.232 -2.000 -2.349 465 2HB TYR 60 1HB TYR 60 14.206 -0.587 -1.303 466 HD1 TYR 60 1HD TYR 60 15.809 -2.187 -4.165 467 HD2 TYR 60 2HD TYR 60 15.832 1.232 -1.617 468 HE1 TYR 60 1HE TYR 60 17.222 -0.998 -5.781 469 HE2 TYR 60 2HE TYR 60 17.248 2.424 -3.240 470 HH TYR 60 HH TYR 60 18.211 2.372 -5.246 471 H LEU 61 H LEU 61 16.534 -0.245 0.694 472 HA LEU 61 HA LEU 61 18.966 0.283 -0.595 473 1HB LEU 61 2HB LEU 61 17.458 1.575 1.154 474 2HB LEU 61 1HB LEU 61 18.605 0.887 2.293 475 HG LEU 61 HG LEU 61 20.442 1.945 0.932 476 1HD1 LEU 61 1HD1 LEU 61 18.077 3.281 -0.373 477 2HD1 LEU 61 2HD1 LEU 61 19.754 3.808 -0.537 478 3HD1 LEU 61 3HD1 LEU 61 19.261 2.229 -1.150 479 1HD2 LEU 61 1HD2 LEU 61 19.282 2.871 3.039 480 2HD2 LEU 61 2HD2 LEU 61 20.270 3.969 2.075 481 3HD2 LEU 61 3HD2 LEU 61 18.512 4.008 1.930 482 H ARG 62 H ARG 62 18.102 -2.212 1.558 483 HA ARG 62 HA ARG 62 20.638 -2.670 2.768 484 1HB ARG 62 2HB ARG 62 18.035 -3.935 2.704 485 2HB ARG 62 1HB ARG 62 19.318 -5.128 2.586 486 1HG ARG 62 2HG ARG 62 18.663 -4.768 4.897 487 2HG ARG 62 1HG ARG 62 20.328 -4.250 4.627 488 1HD ARG 62 2HD ARG 62 18.347 -2.144 4.203 489 2HD ARG 62 1HD ARG 62 18.378 -2.769 5.852 490 HE ARG 62 HE ARG 62 20.978 -2.363 5.410 491 1HH1 ARG 62 2HH1 ARG 62 18.222 -0.305 4.711 492 2HH1 ARG 62 1HH1 ARG 62 19.094 1.173 4.979 493 1HH2 ARG 62 2HH2 ARG 62 22.134 -0.416 5.737 494 2HH2 ARG 62 1HH2 ARG 62 21.323 1.113 5.538 495 H LEU 63 H LEU 63 19.252 -3.379 -0.305 496 HA LEU 63 HA LEU 63 21.564 -5.075 -0.972 497 1HB LEU 63 2HB LEU 63 19.766 -5.616 -2.942 498 2HB LEU 63 1HB LEU 63 19.997 -6.582 -1.499 499 HG LEU 63 HG LEU 63 18.093 -4.382 -1.142 500 1HD1 LEU 63 1HD1 LEU 63 17.586 -6.525 -3.185 501 2HD1 LEU 63 2HD1 LEU 63 16.298 -5.637 -2.375 502 3HD1 LEU 63 3HD1 LEU 63 17.460 -4.778 -3.384 503 1HD2 LEU 63 1HD2 LEU 63 17.710 -5.770 0.556 504 2HD2 LEU 63 2HD2 LEU 63 16.885 -6.812 -0.604 505 3HD2 LEU 63 3HD2 LEU 63 18.586 -7.086 -0.226 506 H GLY 64 H GLY 64 19.340 -2.638 -2.314 507 1HA GLY 64 1HA GLY 64 21.204 -2.227 -4.540 508 2HA GLY 64 2HA GLY 64 19.552 -1.638 -4.452 509 H GLY 65 H GLY 65 21.008 -1.030 -1.544 510 1HA GLY 65 1HA GLY 65 22.027 1.597 -2.406 511 2HA GLY 65 2HA GLY 65 20.843 1.488 -1.107 512 H SER 66 H SER 66 23.573 -0.594 -1.827 513 HA SER 66 HA SER 66 24.244 -0.957 0.848 514 1HB SER 66 2HB SER 66 26.452 -1.659 -0.797 515 2HB SER 66 1HB SER 66 25.216 -2.713 -0.113 516 HG SER 66 HG SER 66 25.583 -2.081 -2.655 517 H GLY 67 H GLY 67 24.343 1.828 0.522 518 1HA GLY 67 1HA GLY 67 26.970 2.854 0.207 519 2HA GLY 67 2HA GLY 67 25.651 3.638 1.064 520 H GLY 68 H GLY 68 25.232 1.477 2.931 521 1HA GLY 68 1HA GLY 68 26.543 0.205 4.495 522 2HA GLY 68 2HA GLY 68 27.803 1.419 4.360 523 H HIS 69 H HIS 69 25.804 3.627 4.601 524 HA HIS 69 HA HIS 69 25.279 3.320 7.483 525 1HB HIS 69 2HB HIS 69 25.623 6.003 7.252 526 2HB HIS 69 1HB HIS 69 26.881 4.884 7.750 527 HD2 HIS 69 2HD HIS 69 28.810 4.306 5.763 528 HE1 HIS 69 1HE HIS 69 27.626 7.520 3.284 529 HE2 HIS 69 2HE HIS 69 29.288 5.634 3.583 530 H MET 70 H MET 70 23.742 4.860 8.363 531 HA MET 70 HA MET 70 21.344 4.917 6.760 532 1HB MET 70 2HB MET 70 21.990 5.764 9.579 533 2HB MET 70 1HB MET 70 20.411 6.039 8.858 534 1HG MET 70 2HG MET 70 20.978 3.355 8.378 535 2HG MET 70 1HG MET 70 21.501 3.657 10.034 536 1HE MET 70 1HE MET 70 19.466 2.212 11.407 537 2HE MET 70 2HE MET 70 18.035 1.921 10.416 538 3HE MET 70 3HE MET 70 19.643 1.601 9.760 539 H GLY 71 H GLY 71 23.893 7.082 7.577 540 1HA GLY 71 1HA GLY 71 22.500 9.530 7.200 541 2HA GLY 71 2HA GLY 71 24.242 9.316 7.156 542 H SER 72 H SER 72 24.273 7.403 5.023 543 HA SER 72 HA SER 72 23.062 8.810 2.777 544 1HB SER 72 2HB SER 72 26.012 8.132 2.787 545 2HB SER 72 1HB SER 72 25.121 9.007 1.544 546 HG SER 72 HG SER 72 25.730 9.863 4.187 547 H GLY 73 H GLY 73 21.798 7.170 2.076 548 1HA GLY 73 1HA GLY 73 22.636 4.435 2.164 549 2HA GLY 73 2HA GLY 73 21.198 5.056 1.364 550 H GLY 74 H GLY 74 22.802 6.967 -0.216 551 1HA GLY 74 1HA GLY 74 24.091 7.071 -2.116 552 2HA GLY 74 2HA GLY 74 24.672 5.456 -1.752 553 H ASP 75 H ASP 75 21.274 6.063 -1.998 554 HA ASP 75 HA ASP 75 21.036 4.231 -4.212 555 1HB ASP 75 2HB ASP 75 19.306 4.070 -2.590 556 2HB ASP 75 1HB ASP 75 19.045 5.811 -2.584 557 H VAL 76 H VAL 76 21.927 5.151 -6.011 558 HA VAL 76 HA VAL 76 20.703 7.666 -6.915 559 HB VAL 76 HB VAL 76 22.878 8.297 -6.251 560 1HG1 VAL 76 1HG1 VAL 76 23.852 6.067 -6.026 561 2HG1 VAL 76 2HG1 VAL 76 23.982 5.946 -7.781 562 3HG1 VAL 76 3HG1 VAL 76 24.923 7.157 -6.909 563 1HG2 VAL 76 1HG2 VAL 76 22.433 8.007 -9.160 564 2HG2 VAL 76 2HG2 VAL 76 22.678 9.457 -8.184 565 3HG2 VAL 76 3HG2 VAL 76 24.060 8.458 -8.643 566 H MET 77 H MET 77 19.463 7.220 -8.574 567 HA MET 77 HA MET 77 19.986 4.994 -10.326 568 1HB MET 77 2HB MET 77 17.921 7.115 -10.821 569 2HB MET 77 1HB MET 77 17.874 5.410 -11.252 570 1HG MET 77 2HG MET 77 17.464 4.759 -9.028 571 2HG MET 77 1HG MET 77 17.863 6.354 -8.410 572 1HE MET 77 1HE MET 77 14.631 7.762 -7.772 573 2HE MET 77 2HE MET 77 15.209 6.289 -6.995 574 3HE MET 77 3HE MET 77 16.351 7.558 -7.434 575 H VAL 78 H VAL 78 21.671 5.249 -11.638 576 HA VAL 78 HA VAL 78 23.113 6.095 -13.169 577 HB VAL 78 HB VAL 78 21.001 7.860 -14.330 578 1HG1 VAL 78 1HG1 VAL 78 22.640 5.985 -15.924 579 2HG1 VAL 78 2HG1 VAL 78 22.199 7.662 -16.247 580 3HG1 VAL 78 3HG1 VAL 78 23.501 7.294 -15.116 581 1HG2 VAL 78 1HG2 VAL 78 21.022 4.999 -15.128 582 2HG2 VAL 78 2HG2 VAL 78 20.200 5.419 -13.624 583 3HG2 VAL 78 3HG2 VAL 78 19.699 6.167 -15.141 584 H VAL 79 H VAL 79 21.633 9.088 -13.793 585 HA VAL 79 HA VAL 79 23.313 10.434 -11.790 586 HB VAL 79 HB VAL 79 23.097 12.131 -14.049 587 1HG1 VAL 79 1HG1 VAL 79 25.731 11.189 -13.841 588 2HG1 VAL 79 2HG1 VAL 79 25.049 12.652 -13.133 589 3HG1 VAL 79 3HG1 VAL 79 25.061 11.147 -12.211 590 1HG2 VAL 79 1HG2 VAL 79 22.766 10.034 -15.346 591 2HG2 VAL 79 2HG2 VAL 79 24.219 10.929 -15.795 592 3HG2 VAL 79 3HG2 VAL 79 24.347 9.490 -14.784 593 H GLY 80 H GLY 80 20.517 9.782 -11.748 594 1HA GLY 80 1HA GLY 80 19.016 12.114 -12.483 595 2HA GLY 80 2HA GLY 80 18.418 10.724 -11.593 596 H GLU 81 H GLU 81 21.095 11.640 -9.973 597 HA GLU 81 HA GLU 81 21.495 12.657 -7.986 598 1HB GLU 81 2HB GLU 81 19.558 14.734 -9.016 599 2HB GLU 81 1HB GLU 81 20.725 14.957 -7.720 600 1HG GLU 81 2HG GLU 81 22.419 15.296 -9.135 601 2HG GLU 81 1HG GLU 81 21.883 14.028 -10.237 602 HA PRO 82 HA PRO 82 17.960 10.740 -5.874 603 1HB PRO 82 2HB PRO 82 19.424 10.233 -3.603 604 2HB PRO 82 1HB PRO 82 19.311 9.150 -4.991 605 1HG PRO 82 2HG PRO 82 21.465 11.087 -4.263 606 2HG PRO 82 1HG PRO 82 21.606 9.460 -4.957 607 1HD PRO 82 2HD PRO 82 21.887 11.681 -6.453 608 2HD PRO 82 1HD PRO 82 21.156 10.196 -7.095 609 H THR 83 H THR 83 16.836 11.167 -3.930 610 HA THR 83 HA THR 83 16.903 13.927 -3.093 611 HB THR 83 HB THR 83 15.148 12.446 -1.456 612 HG1 THR 83 1HG THR 83 14.278 11.722 -3.939 613 1HG2 THR 83 1HG2 THR 83 14.483 13.924 -4.004 614 2HG2 THR 83 2HG2 THR 83 14.826 14.717 -2.466 615 3HG2 THR 83 3HG2 THR 83 13.427 13.656 -2.617 616 H LEU 84 H LEU 84 19.162 13.593 -2.264 617 HA LEU 84 HA LEU 84 19.676 11.902 -0.078 618 1HB LEU 84 2HB LEU 84 21.144 14.396 -0.941 619 2HB LEU 84 1HB LEU 84 21.760 13.184 0.167 620 HG LEU 84 HG LEU 84 20.937 12.353 -2.584 621 1HD1 LEU 84 1HD1 LEU 84 23.438 13.840 -1.845 622 2HD1 LEU 84 2HD1 LEU 84 23.373 12.740 -3.221 623 3HD1 LEU 84 3HD1 LEU 84 22.321 14.155 -3.173 624 1HD2 LEU 84 1HD2 LEU 84 22.404 10.568 -2.237 625 2HD2 LEU 84 2HD2 LEU 84 23.254 11.400 -0.934 626 3HD2 LEU 84 3HD2 LEU 84 21.619 10.793 -0.674 627 H MET 85 H MET 85 18.360 12.120 1.635 628 HA MET 85 HA MET 85 18.455 14.676 3.085 629 1HB MET 85 2HB MET 85 16.231 13.930 1.827 630 2HB MET 85 1HB MET 85 16.018 12.969 3.284 631 1HG MET 85 2HG MET 85 16.715 15.491 4.210 632 2HG MET 85 1HG MET 85 15.624 15.794 2.860 633 1HE MET 85 1HE MET 85 14.716 15.730 6.772 634 2HE MET 85 2HE MET 85 15.307 16.764 5.469 635 3HE MET 85 3HE MET 85 13.571 16.567 5.724 636 H GLY 86 H GLY 86 20.120 12.379 3.432 637 1HA GLY 86 1HA GLY 86 21.035 11.372 5.309 638 2HA GLY 86 2HA GLY 86 19.670 11.952 6.250 639 H GLY 87 H GLY 87 20.202 9.702 3.533 640 1HA GLY 87 1HA GLY 87 19.762 7.429 3.454 641 2HA GLY 87 2HA GLY 87 19.138 7.516 5.093 642 H GLU 88 H GLU 88 17.145 9.434 4.766 643 HA GLU 88 HA GLU 88 15.177 7.768 3.513 644 1HB GLU 88 2HB GLU 88 15.174 10.087 5.352 645 2HB GLU 88 1HB GLU 88 13.730 9.835 4.376 646 1HG GLU 88 2HG GLU 88 14.510 7.332 5.432 647 2HG GLU 88 1HG GLU 88 14.531 8.507 6.740 648 H PHE 89 H PHE 89 15.819 8.030 1.306 649 HA PHE 89 HA PHE 89 15.386 10.613 0.058 650 1HB PHE 89 2HB PHE 89 15.560 8.215 -1.668 651 2HB PHE 89 1HB PHE 89 16.406 9.758 -1.789 652 HD1 PHE 89 1HD PHE 89 16.624 6.336 -0.833 653 HD2 PHE 89 2HD PHE 89 18.352 10.172 -0.209 654 HE1 PHE 89 1HE PHE 89 18.653 5.274 0.067 655 HE2 PHE 89 2HE PHE 89 20.382 9.116 0.688 656 HZ PHE 89 HZ PHE 89 20.525 6.667 0.834 657 H GLY 90 H GLY 90 14.087 10.210 -2.180 658 1HA GLY 90 1HA GLY 90 11.775 8.590 -2.114 659 2HA GLY 90 2HA GLY 90 11.374 10.205 -1.531 660 H ASP 91 H ASP 91 11.984 8.259 -4.266 661 HA ASP 91 HA ASP 91 12.972 10.210 -6.003 662 1HB ASP 91 2HB ASP 91 12.267 8.585 -7.821 663 2HB ASP 91 1HB ASP 91 13.371 7.968 -6.606 664 H GLU 92 H GLU 92 10.040 8.644 -7.020 665 HA GLU 92 HA GLU 92 8.464 11.070 -6.941 666 1HB GLU 92 2HB GLU 92 8.212 10.573 -9.605 667 2HB GLU 92 1HB GLU 92 9.237 11.828 -8.926 668 1HG GLU 92 2HG GLU 92 11.068 10.854 -9.710 669 2HG GLU 92 1HG GLU 92 10.619 9.303 -9.002 670 H ASP 93 H ASP 93 8.922 7.775 -7.991 671 HA ASP 93 HA ASP 93 6.102 7.398 -8.510 672 1HB ASP 93 2HB ASP 93 8.174 6.332 -9.731 673 2HB ASP 93 1HB ASP 93 8.058 5.138 -8.441 674 H GLU 94 H GLU 94 7.415 7.827 -5.721 675 HA GLU 94 HA GLU 94 6.611 5.442 -4.290 676 1HB GLU 94 2HB GLU 94 7.055 6.902 -2.260 677 2HB GLU 94 1HB GLU 94 8.426 6.591 -3.312 678 1HG GLU 94 2HG GLU 94 8.700 8.747 -3.777 679 2HG GLU 94 1HG GLU 94 6.974 9.007 -4.027 680 H ARG 95 H ARG 95 4.614 6.710 -5.903 681 HA ARG 95 HA ARG 95 2.706 7.731 -3.953 682 1HB ARG 95 2HB ARG 95 1.650 8.152 -6.423 683 2HB ARG 95 1HB ARG 95 2.635 9.313 -5.555 684 1HG ARG 95 2HG ARG 95 4.207 9.233 -7.107 685 2HG ARG 95 1HG ARG 95 4.298 7.475 -6.995 686 1HD ARG 95 2HD ARG 95 3.372 7.334 -9.011 687 2HD ARG 95 1HD ARG 95 1.910 8.083 -8.359 688 HE ARG 95 HE ARG 95 2.643 10.176 -9.128 689 1HH1 ARG 95 2HH1 ARG 95 4.792 7.565 -10.101 690 2HH1 ARG 95 1HH1 ARG 95 5.690 8.565 -11.201 691 1HH2 ARG 95 2HH2 ARG 95 3.809 11.457 -10.576 692 2HH2 ARG 95 1HH2 ARG 95 5.136 10.776 -11.471 693 H LEU 96 H LEU 96 0.758 7.178 -6.267 694 HA LEU 96 HA LEU 96 -0.775 5.636 -6.873 695 1HB LEU 96 2HB LEU 96 1.393 3.582 -6.732 696 2HB LEU 96 1HB LEU 96 0.082 3.723 -7.885 697 HG LEU 96 HG LEU 96 1.987 5.965 -7.901 698 1HD1 LEU 96 1HD1 LEU 96 3.764 4.577 -7.732 699 2HD1 LEU 96 2HD1 LEU 96 2.851 3.161 -8.254 700 3HD1 LEU 96 3HD1 LEU 96 3.418 4.334 -9.444 701 1HD2 LEU 96 1HD2 LEU 96 0.410 6.032 -9.592 702 2HD2 LEU 96 2HD2 LEU 96 1.813 5.326 -10.399 703 3HD2 LEU 96 3HD2 LEU 96 0.485 4.291 -9.872 704 H ILE 97 H ILE 97 -1.279 5.995 -4.325 705 HA ILE 97 HA ILE 97 -2.326 3.401 -3.727 706 HB ILE 97 HB ILE 97 -1.543 4.328 -1.155 707 1HG1 ILE 97 2HG1 ILE 97 0.947 3.436 -1.662 708 2HG1 ILE 97 1HG1 ILE 97 0.621 4.244 -3.192 709 1HG2 ILE 97 1HG2 ILE 97 -1.179 2.091 -0.786 710 2HG2 ILE 97 2HG2 ILE 97 -2.301 2.050 -2.149 711 3HG2 ILE 97 3HG2 ILE 97 -0.571 1.810 -2.416 712 1HD1 ILE 97 1HD1 ILE 97 1.514 5.383 -0.803 713 2HD1 ILE 97 2HD1 ILE 97 1.045 6.215 -2.284 714 3HD1 ILE 97 3HD1 ILE 97 -0.148 5.937 -1.014 715 H THR 98 H THR 98 -4.281 3.511 -3.019 716 HA THR 98 HA THR 98 -5.205 5.814 -1.513 717 HB THR 98 HB THR 98 -5.808 5.514 -4.248 718 HG1 THR 98 1HG THR 98 -5.962 7.520 -3.544 719 1HG2 THR 98 1HG2 THR 98 -8.099 4.665 -2.505 720 2HG2 THR 98 2HG2 THR 98 -7.509 3.930 -3.995 721 3HG2 THR 98 3HG2 THR 98 -8.363 5.473 -4.050 722 H ARG 99 H ARG 99 -6.716 5.277 0.026 723 HA ARG 99 HA ARG 99 -7.176 2.420 0.421 724 1HB ARG 99 2HB ARG 99 -8.181 4.582 2.255 725 2HB ARG 99 1HB ARG 99 -7.772 2.917 2.640 726 1HG ARG 99 2HG ARG 99 -5.419 4.125 1.683 727 2HG ARG 99 1HG ARG 99 -6.159 5.263 2.806 728 1HD ARG 99 2HD ARG 99 -4.806 2.741 3.322 729 2HD ARG 99 1HD ARG 99 -5.143 4.084 4.406 730 HE ARG 99 HE ARG 99 -6.782 1.698 3.998 731 1HH1 ARG 99 2HH1 ARG 99 -6.489 4.862 5.500 732 2HH1 ARG 99 1HH1 ARG 99 -7.597 4.469 6.787 733 1HH2 ARG 99 2HH2 ARG 99 -8.173 1.187 5.665 734 2HH2 ARG 99 1HH2 ARG 99 -8.590 2.386 6.861 735 H LEU 100 H LEU 100 -8.890 1.555 -0.515 736 HA LEU 100 HA LEU 100 -11.258 3.270 -0.910 737 1HB LEU 100 2HB LEU 100 -9.761 2.190 -2.854 738 2HB LEU 100 1HB LEU 100 -10.906 0.882 -2.604 739 HG LEU 100 HG LEU 100 -12.642 2.052 -3.503 740 1HD1 LEU 100 1HD1 LEU 100 -12.458 4.691 -3.551 741 2HD1 LEU 100 2HD1 LEU 100 -13.057 3.828 -2.135 742 3HD1 LEU 100 3HD1 LEU 100 -11.389 4.397 -2.180 743 1HD2 LEU 100 1HD2 LEU 100 -11.275 2.015 -5.358 744 2HD2 LEU 100 2HD2 LEU 100 -11.695 3.724 -5.243 745 3HD2 LEU 100 3HD2 LEU 100 -10.129 3.160 -4.661 746 H GLU 101 H GLU 101 -13.200 1.851 -1.435 747 HA GLU 101 HA GLU 101 -13.403 -0.340 0.516 748 1HB GLU 101 2HB GLU 101 -16.002 0.482 0.053 749 2HB GLU 101 1HB GLU 101 -15.039 0.875 1.472 750 1HG GLU 101 2HG GLU 101 -14.355 2.955 0.506 751 2HG GLU 101 1HG GLU 101 -15.132 2.551 -1.022 752 H ASN 102 H ASN 102 -14.470 -2.194 -0.184 753 HA ASN 102 HA ASN 102 -14.158 -2.934 -2.830 754 1HB ASN 102 2HB ASN 102 -14.737 -4.314 -0.624 755 2HB ASN 102 1HB ASN 102 -16.364 -4.239 -1.305 756 1HD2 ASN 102 1HD2 ASN 102 -14.115 -6.321 -0.966 757 2HD2 ASN 102 2HD2 ASN 102 -14.055 -7.104 -2.523 758 H THR 103 H THR 103 -17.242 -2.197 -1.223 759 HA THR 103 HA THR 103 -18.235 -1.224 -3.795 760 HB THR 103 HB THR 103 -19.361 -3.314 -3.477 761 HG1 THR 103 1HG THR 103 -21.603 -2.476 -2.912 762 1HG2 THR 103 1HG2 THR 103 -20.838 -3.483 -1.295 763 2HG2 THR 103 2HG2 THR 103 -19.577 -2.436 -0.644 764 3HG2 THR 103 3HG2 THR 103 -19.154 -4.013 -1.309 765 H GLN 104 H GLN 104 -20.674 -0.852 -1.698 766 HA GLN 104 HA GLN 104 -19.657 1.714 -0.673 767 1HB GLN 104 2HB GLN 104 -22.536 1.001 -1.278 768 2HB GLN 104 1HB GLN 104 -21.932 2.569 -0.757 769 1HG GLN 104 2HG GLN 104 -20.539 2.563 -2.881 770 2HG GLN 104 1HG GLN 104 -21.529 1.201 -3.397 771 1HE2 GLN 104 1HE2 GLN 104 -22.399 4.143 -1.623 772 2HE2 GLN 104 2HE2 GLN 104 -23.554 4.703 -2.794 773 H PHE 105 H PHE 105 -18.850 0.035 0.923 774 HA PHE 105 HA PHE 105 -20.837 -0.980 2.766 775 1HB PHE 105 2HB PHE 105 -18.257 -1.792 2.017 776 2HB PHE 105 1HB PHE 105 -18.109 -1.257 3.692 777 HD1 PHE 105 1HD PHE 105 -17.646 -4.058 2.908 778 HD2 PHE 105 2HD PHE 105 -21.235 -2.045 4.002 779 HE1 PHE 105 1HE PHE 105 -18.604 -6.193 3.681 780 HE2 PHE 105 2HE PHE 105 -22.198 -4.177 4.770 781 HZ PHE 105 HZ PHE 105 -20.880 -6.251 4.613 782 H ASP 106 H ASP 106 -21.521 1.229 3.140 783 HA ASP 106 HA ASP 106 -19.791 2.907 4.753 784 1HB ASP 106 2HB ASP 106 -21.244 3.838 2.961 785 2HB ASP 106 1HB ASP 106 -22.652 3.342 3.877 786 H ALA 107 H ALA 107 -23.222 2.424 5.167 787 HA ALA 107 HA ALA 107 -24.550 2.090 6.976 788 1HB ALA 107 1HB ALA 107 -22.752 -0.020 6.916 789 2HB ALA 107 2HB ALA 107 -22.745 0.514 8.596 790 3HB ALA 107 3HB ALA 107 -24.262 0.053 7.824 791 H ALA 108 H ALA 108 -22.883 4.415 6.998 792 HA ALA 108 HA ALA 108 -21.802 4.726 9.648 793 1HB ALA 108 1HB ALA 108 -21.216 5.931 7.349 794 2HB ALA 108 2HB ALA 108 -22.375 7.102 7.978 795 3HB ALA 108 3HB ALA 108 -20.939 6.693 8.914 796 H ASN 109 H ASN 109 -22.877 5.307 11.416 797 HA ASN 109 HA ASN 109 -25.680 5.697 11.386 798 1HB ASN 109 2HB ASN 109 -24.282 4.763 13.298 799 2HB ASN 109 1HB ASN 109 -23.871 6.427 13.683 800 1HD2 ASN 109 1HD2 ASN 109 -26.267 3.999 13.758 801 2HD2 ASN 109 2HD2 ASN 109 -27.466 4.887 14.656 802 H GLY 110 H GLY 110 -23.088 7.864 10.909 803 1HA GLY 110 1HA GLY 110 -24.063 10.304 11.845 804 2HA GLY 110 2HA GLY 110 -23.080 10.105 10.399 805 H ILE 111 H ILE 111 -24.823 8.522 8.931 806 HA ILE 111 HA ILE 111 -27.167 10.259 8.539 807 HB ILE 111 HB ILE 111 -26.298 8.378 6.387 808 1HG1 ILE 111 2HG1 ILE 111 -25.242 11.067 5.996 809 2HG1 ILE 111 1HG1 ILE 111 -24.503 10.258 7.374 810 1HG2 ILE 111 1HG2 ILE 111 -27.982 9.375 5.345 811 2HG2 ILE 111 2HG2 ILE 111 -28.226 10.439 6.731 812 3HG2 ILE 111 3HG2 ILE 111 -27.122 10.912 5.440 813 1HD1 ILE 111 1HD1 ILE 111 -23.125 9.724 5.587 814 2HD1 ILE 111 2HD1 ILE 111 -24.138 8.293 5.779 815 3HD1 ILE 111 3HD1 ILE 111 -24.483 9.453 4.496 816 H ASP 112 H ASP 112 -26.594 7.149 7.132 817 HA ASP 112 HA ASP 112 -27.555 5.502 9.128 818 1HB ASP 112 2HB ASP 112 -29.733 6.801 8.243 819 2HB ASP 112 1HB ASP 112 -29.681 5.515 7.041 820 H ASP 113 H ASP 113 -28.238 3.287 8.090 821 HA ASP 113 HA ASP 113 -26.116 2.649 6.232 822 1HB ASP 113 2HB ASP 113 -26.303 1.030 7.894 823 2HB ASP 113 1HB ASP 113 -28.061 1.079 7.888 824 H GLU 114 H GLU 114 -26.394 2.860 4.123 825 HA GLU 114 HA GLU 114 -29.070 2.369 2.988 826 1HB GLU 114 2HB GLU 114 -27.635 4.704 2.887 827 2HB GLU 114 1HB GLU 114 -27.181 3.936 1.373 828 1HG GLU 114 2HG GLU 114 -29.860 3.592 1.331 829 2HG GLU 114 1HG GLU 114 -29.731 5.117 2.207 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -24.055 -5.659 -9.084 2 2H GLY 1 2H GLY 1 -24.163 -4.104 -8.416 3 3H GLY 1 3H GLY 1 -23.502 -5.372 -7.504 4 1HA GLY 1 2HA GLY 1 -22.261 -4.733 -10.074 5 2HA GLY 1 1HA GLY 1 -21.985 -3.636 -8.727 6 H SER 2 H SER 2 -19.837 -4.881 -9.754 7 HA SER 2 HA SER 2 -19.315 -7.274 -8.174 8 1HB SER 2 2HB SER 2 -17.056 -6.254 -9.682 9 2HB SER 2 1HB SER 2 -17.891 -7.800 -9.831 10 HG SER 2 HG SER 2 -17.921 -6.038 -11.629 11 H LEU 3 H LEU 3 -17.118 -7.383 -7.101 12 HA LEU 3 HA LEU 3 -16.689 -4.909 -5.570 13 1HB LEU 3 2HB LEU 3 -16.199 -7.807 -4.984 14 2HB LEU 3 1HB LEU 3 -15.292 -6.577 -4.130 15 HG LEU 3 HG LEU 3 -18.022 -5.839 -3.970 16 1HD1 LEU 3 1HD1 LEU 3 -18.893 -7.829 -2.750 17 2HD1 LEU 3 2HD1 LEU 3 -18.694 -8.072 -4.485 18 3HD1 LEU 3 3HD1 LEU 3 -17.514 -8.745 -3.361 19 1HD2 LEU 3 1HD2 LEU 3 -17.188 -5.270 -1.996 20 2HD2 LEU 3 2HD2 LEU 3 -17.144 -6.973 -1.538 21 3HD2 LEU 3 3HD2 LEU 3 -15.740 -6.229 -2.305 22 H LEU 4 H LEU 4 -14.172 -5.177 -4.698 23 HA LEU 4 HA LEU 4 -12.620 -4.834 -7.133 24 1HB LEU 4 2HB LEU 4 -11.588 -4.528 -4.328 25 2HB LEU 4 1HB LEU 4 -10.962 -3.807 -5.802 26 HG LEU 4 HG LEU 4 -13.698 -2.980 -5.260 27 1HD1 LEU 4 1HD1 LEU 4 -11.936 -3.160 -3.014 28 2HD1 LEU 4 2HD1 LEU 4 -12.246 -1.466 -3.394 29 3HD1 LEU 4 3HD1 LEU 4 -13.595 -2.561 -3.088 30 1HD2 LEU 4 1HD2 LEU 4 -11.630 -0.953 -5.199 31 2HD2 LEU 4 2HD2 LEU 4 -11.439 -2.048 -6.567 32 3HD2 LEU 4 3HD2 LEU 4 -12.956 -1.178 -6.339 33 H THR 5 H THR 5 -10.497 -5.845 -7.312 34 HA THR 5 HA THR 5 -10.332 -8.428 -5.926 35 HB THR 5 HB THR 5 -9.050 -8.709 -8.418 36 HG1 THR 5 1HG THR 5 -11.760 -7.923 -8.813 37 1HG2 THR 5 1HG2 THR 5 -11.086 -9.951 -6.805 38 2HG2 THR 5 2HG2 THR 5 -9.970 -10.688 -7.958 39 3HG2 THR 5 3HG2 THR 5 -11.512 -10.034 -8.514 40 H CYS 6 H CYS 6 -8.393 -8.961 -5.136 41 HA CYS 6 HA CYS 6 -6.353 -6.921 -5.145 42 1HB CYS 6 2HB CYS 6 -6.629 -7.681 -2.995 43 2HB CYS 6 1HB CYS 6 -7.026 -9.315 -3.507 44 H GLY 7 H GLY 7 -4.354 -7.095 -6.021 45 1HA GLY 7 1HA GLY 7 -4.069 -8.880 -8.220 46 2HA GLY 7 2HA GLY 7 -2.871 -7.723 -7.665 47 H GLY 8 H GLY 8 -3.361 -9.267 -4.943 48 1HA GLY 8 1HA GLY 8 -1.211 -11.198 -5.501 49 2HA GLY 8 2HA GLY 8 -1.607 -10.535 -3.922 50 H CYS 9 H CYS 9 -4.480 -10.953 -4.304 51 HA CYS 9 HA CYS 9 -4.510 -13.829 -3.723 52 1HB CYS 9 2HB CYS 9 -6.512 -11.665 -3.067 53 2HB CYS 9 1HB CYS 9 -6.660 -13.356 -2.601 54 H GLN 10 H GLN 10 -6.374 -11.363 -5.445 55 HA GLN 10 HA GLN 10 -7.782 -11.425 -7.213 56 1HB GLN 10 2HB GLN 10 -6.001 -13.713 -7.690 57 2HB GLN 10 1HB GLN 10 -7.547 -13.797 -8.525 58 1HG GLN 10 2HG GLN 10 -5.925 -11.299 -8.645 59 2HG GLN 10 1HG GLN 10 -5.504 -12.676 -9.661 60 1HE2 GLN 10 1HE2 GLN 10 -6.250 -12.455 -11.620 61 2HE2 GLN 10 2HE2 GLN 10 -7.786 -11.766 -12.066 62 H GLN 11 H GLN 11 -8.306 -12.862 -4.541 63 HA GLN 11 HA GLN 11 -10.548 -14.559 -5.356 64 1HB GLN 11 2HB GLN 11 -10.593 -15.234 -2.964 65 2HB GLN 11 1HB GLN 11 -9.063 -15.578 -3.755 66 1HG GLN 11 2HG GLN 11 -8.089 -13.591 -2.742 67 2HG GLN 11 1HG GLN 11 -9.624 -13.238 -1.950 68 1HE2 GLN 11 1HE2 GLN 11 -9.821 -13.931 0.052 69 2HE2 GLN 11 2HE2 GLN 11 -8.918 -15.225 0.776 70 H ASN 12 H ASN 12 -10.417 -11.563 -5.389 71 HA ASN 12 HA ASN 12 -11.879 -9.847 -5.163 72 1HB ASN 12 2HB ASN 12 -13.520 -12.129 -4.924 73 2HB ASN 12 1HB ASN 12 -14.016 -11.026 -3.645 74 1HD2 ASN 12 1HD2 ASN 12 -15.906 -10.319 -4.449 75 2HD2 ASN 12 2HD2 ASN 12 -16.072 -9.474 -5.961 76 H ILE 13 H ILE 13 -11.784 -8.202 -3.807 77 HA ILE 13 HA ILE 13 -10.985 -8.677 -1.055 78 HB ILE 13 HB ILE 13 -11.389 -6.026 -2.405 79 1HG1 ILE 13 2HG1 ILE 13 -8.700 -7.279 -2.108 80 2HG1 ILE 13 1HG1 ILE 13 -9.723 -7.778 -3.449 81 1HG2 ILE 13 1HG2 ILE 13 -10.722 -5.113 -0.496 82 2HG2 ILE 13 2HG2 ILE 13 -10.800 -6.715 0.241 83 3HG2 ILE 13 3HG2 ILE 13 -9.283 -6.137 -0.456 84 1HD1 ILE 13 1HD1 ILE 13 -8.052 -5.933 -3.882 85 2HD1 ILE 13 2HD1 ILE 13 -9.716 -5.643 -4.395 86 3HD1 ILE 13 3HD1 ILE 13 -9.106 -4.900 -2.914 87 H GLY 14 H GLY 14 -12.662 -9.250 0.200 88 1HA GLY 14 1HA GLY 14 -15.128 -7.643 0.026 89 2HA GLY 14 2HA GLY 14 -15.013 -9.259 0.713 90 H ASP 15 H ASP 15 -12.407 -7.340 1.556 91 HA ASP 15 HA ASP 15 -13.070 -7.367 4.308 92 1HB ASP 15 2HB ASP 15 -10.874 -5.885 2.838 93 2HB ASP 15 1HB ASP 15 -10.992 -6.023 4.591 94 H ARG 16 H ARG 16 -12.577 -5.138 5.536 95 HA ARG 16 HA ARG 16 -14.704 -3.372 4.614 96 1HB ARG 16 2HB ARG 16 -14.226 -2.272 6.917 97 2HB ARG 16 1HB ARG 16 -15.048 -3.824 6.857 98 1HG ARG 16 2HG ARG 16 -13.468 -4.792 8.055 99 2HG ARG 16 1HG ARG 16 -12.195 -4.173 7.001 100 1HD ARG 16 2HD ARG 16 -12.496 -1.955 8.212 101 2HD ARG 16 1HD ARG 16 -13.442 -2.855 9.398 102 HE ARG 16 HE ARG 16 -10.589 -3.324 8.791 103 1HH1 ARG 16 2HH1 ARG 16 -13.270 -3.312 11.039 104 2HH1 ARG 16 1HH1 ARG 16 -12.382 -4.094 12.311 105 1HH2 ARG 16 2HH2 ARG 16 -9.405 -4.345 10.459 106 2HH2 ARG 16 1HH2 ARG 16 -10.174 -4.672 11.984 107 H TYR 17 H TYR 17 -11.246 -3.422 5.060 108 HA TYR 17 HA TYR 17 -11.155 -0.726 3.863 109 1HB TYR 17 2HB TYR 17 -10.125 -1.353 6.379 110 2HB TYR 17 1HB TYR 17 -8.731 -1.500 5.321 111 HD1 TYR 17 1HD TYR 17 -11.632 0.829 5.406 112 HD2 TYR 17 2HD TYR 17 -7.405 0.396 5.504 113 HE1 TYR 17 1HE TYR 17 -11.400 3.272 5.461 114 HE2 TYR 17 2HE TYR 17 -7.155 2.846 5.567 115 HH TYR 17 HH TYR 17 -9.987 4.983 5.279 116 H PHE 18 H PHE 18 -9.160 -0.471 2.445 117 HA PHE 18 HA PHE 18 -7.746 -2.834 1.766 118 1HB PHE 18 2HB PHE 18 -8.569 -3.406 -0.315 119 2HB PHE 18 1HB PHE 18 -10.036 -3.042 0.562 120 HD1 PHE 18 1HD PHE 18 -10.898 -0.559 0.324 121 HD2 PHE 18 2HD PHE 18 -8.224 -2.478 -2.377 122 HE1 PHE 18 1HE PHE 18 -11.508 1.058 -1.425 123 HE2 PHE 18 2HE PHE 18 -8.834 -0.868 -4.132 124 HZ PHE 18 HZ PHE 18 -10.477 0.905 -3.657 125 H LEU 19 H LEU 19 -6.261 -2.499 0.054 126 HA LEU 19 HA LEU 19 -5.495 0.331 -0.174 127 1HB LEU 19 2HB LEU 19 -4.055 -1.961 0.919 128 2HB LEU 19 1HB LEU 19 -3.125 -0.944 -0.169 129 HG LEU 19 HG LEU 19 -2.958 -0.298 2.205 130 1HD1 LEU 19 1HD1 LEU 19 -3.887 1.540 0.118 131 2HD1 LEU 19 2HD1 LEU 19 -3.664 2.157 1.757 132 3HD1 LEU 19 3HD1 LEU 19 -2.309 1.426 0.899 133 1HD2 LEU 19 1HD2 LEU 19 -5.129 -0.816 3.012 134 2HD2 LEU 19 2HD2 LEU 19 -4.791 0.895 3.271 135 3HD2 LEU 19 3HD2 LEU 19 -5.833 0.396 1.937 136 H LYS 20 H LYS 20 -4.613 0.954 -2.164 137 HA LYS 20 HA LYS 20 -3.964 -0.982 -4.185 138 1HB LYS 20 2HB LYS 20 -5.948 -1.196 -5.188 139 2HB LYS 20 1HB LYS 20 -6.679 -0.243 -3.909 140 1HG LYS 20 2HG LYS 20 -5.386 1.333 -6.004 141 2HG LYS 20 1HG LYS 20 -6.742 0.370 -6.550 142 1HD LYS 20 2HD LYS 20 -8.071 1.329 -4.648 143 2HD LYS 20 1HD LYS 20 -6.725 2.435 -4.365 144 1HE LYS 20 2HE LYS 20 -7.418 3.777 -5.988 145 2HE LYS 20 1HE LYS 20 -7.415 2.444 -7.143 146 1HZ LYS 20 1HZ LYS 20 -9.607 2.721 -7.194 147 2HZ LYS 20 2HZ LYS 20 -9.612 3.704 -5.813 148 3HZ LYS 20 3HZ LYS 20 -9.659 2.018 -5.650 149 H ALA 21 H ALA 21 -2.888 -0.011 -5.975 150 HA ALA 21 HA ALA 21 -2.864 2.703 -6.602 151 1HB ALA 21 1HB ALA 21 -0.759 1.947 -4.596 152 2HB ALA 21 2HB ALA 21 -0.629 3.358 -5.646 153 3HB ALA 21 3HB ALA 21 -1.953 3.240 -4.485 154 H ILE 22 H ILE 22 -0.708 -0.075 -6.215 155 HA ILE 22 HA ILE 22 1.256 0.457 -7.982 156 HB ILE 22 HB ILE 22 -0.021 -2.268 -7.748 157 1HG1 ILE 22 2HG1 ILE 22 1.817 -0.751 -5.928 158 2HG1 ILE 22 1HG1 ILE 22 0.404 -1.716 -5.522 159 1HG2 ILE 22 1HG2 ILE 22 1.753 -3.126 -8.805 160 2HG2 ILE 22 2HG2 ILE 22 1.955 -1.488 -9.429 161 3HG2 ILE 22 3HG2 ILE 22 2.890 -2.017 -8.025 162 1HD1 ILE 22 1HD1 ILE 22 3.148 -2.679 -6.293 163 2HD1 ILE 22 2HD1 ILE 22 2.306 -2.886 -4.752 164 3HD1 ILE 22 3HD1 ILE 22 1.734 -3.738 -6.187 165 H ASP 23 H ASP 23 -1.938 -0.728 -8.805 166 HA ASP 23 HA ASP 23 -2.256 0.374 -11.254 167 1HB ASP 23 2HB ASP 23 -0.200 -1.361 -11.655 168 2HB ASP 23 1HB ASP 23 -1.572 -2.408 -12.005 169 H GLN 24 H GLN 24 -2.763 -2.063 -9.022 170 HA GLN 24 HA GLN 24 -5.483 -2.509 -9.984 171 1HB GLN 24 2HB GLN 24 -5.198 -4.909 -9.135 172 2HB GLN 24 1HB GLN 24 -4.430 -4.515 -10.665 173 1HG GLN 24 2HG GLN 24 -2.780 -4.161 -8.257 174 2HG GLN 24 1HG GLN 24 -3.221 -5.817 -8.665 175 1HE2 GLN 24 1HE2 GLN 24 -0.627 -5.321 -8.759 176 2HE2 GLN 24 2HE2 GLN 24 -0.061 -5.173 -10.389 177 H TYR 25 H TYR 25 -6.411 -4.083 -8.007 178 HA TYR 25 HA TYR 25 -6.096 -2.364 -5.645 179 1HB TYR 25 2HB TYR 25 -8.249 -4.439 -5.892 180 2HB TYR 25 1HB TYR 25 -8.252 -2.929 -4.976 181 HD1 TYR 25 1HD TYR 25 -7.796 -0.805 -6.709 182 HD2 TYR 25 2HD TYR 25 -9.754 -4.478 -7.601 183 HE1 TYR 25 1HE TYR 25 -9.006 0.292 -8.553 184 HE2 TYR 25 2HE TYR 25 -10.962 -3.392 -9.451 185 HH TYR 25 HH TYR 25 -11.102 -0.038 -9.864 186 H TRP 26 H TRP 26 -5.950 -3.354 -3.574 187 HA TRP 26 HA TRP 26 -4.858 -6.083 -3.582 188 1HB TRP 26 2HB TRP 26 -3.539 -3.637 -2.389 189 2HB TRP 26 1HB TRP 26 -2.972 -5.291 -2.202 190 HD1 TRP 26 HD TRP 26 -3.167 -2.467 -4.784 191 HE1 TRP 26 1HE TRP 26 -1.481 -2.978 -6.653 192 HE3 TRP 26 3HE TRP 26 -1.852 -7.181 -3.388 193 HZ2 TRP 26 2HZ TRP 26 0.175 -5.120 -7.445 194 HZ3 TRP 26 3HZ TRP 26 -0.208 -8.405 -4.753 195 HH2 TRP 26 HH TRP 26 0.777 -7.385 -6.742 196 H HIS 27 H HIS 27 -3.984 -6.149 -1.044 197 HA HIS 27 HA HIS 27 -6.340 -5.557 0.626 198 1HB HIS 27 2HB HIS 27 -4.462 -7.895 0.575 199 2HB HIS 27 1HB HIS 27 -5.200 -7.424 2.096 200 HD2 HIS 27 2HD HIS 27 -8.180 -7.263 1.747 201 HE1 HIS 27 1HE HIS 27 -7.988 -10.557 -0.907 202 HE2 HIS 27 2HE HIS 27 -9.440 -9.311 0.778 203 H GLU 28 H GLU 28 -5.464 -5.566 3.080 204 HA GLU 28 HA GLU 28 -3.771 -3.334 3.338 205 1HB GLU 28 2HB GLU 28 -4.492 -5.359 5.454 206 2HB GLU 28 1HB GLU 28 -4.002 -3.698 5.695 207 1HG GLU 28 2HG GLU 28 -6.085 -3.048 4.399 208 2HG GLU 28 1HG GLU 28 -6.589 -4.725 4.611 209 H ASP 29 H ASP 29 -3.262 -6.780 4.122 210 HA ASP 29 HA ASP 29 -0.419 -6.295 4.538 211 1HB ASP 29 2HB ASP 29 -2.089 -7.919 5.861 212 2HB ASP 29 1HB ASP 29 -1.525 -9.050 4.636 213 H CYS 30 H CYS 30 -2.126 -6.510 1.932 214 HA CYS 30 HA CYS 30 -0.414 -8.401 0.513 215 1HB CYS 30 2HB CYS 30 -3.060 -7.115 -0.085 216 2HB CYS 30 1HB CYS 30 -2.110 -7.873 -1.364 217 H LEU 31 H LEU 31 -1.665 -5.089 0.172 218 HA LEU 31 HA LEU 31 0.587 -4.398 -1.541 219 1HB LEU 31 2HB LEU 31 -1.946 -3.428 -1.471 220 2HB LEU 31 1HB LEU 31 -1.115 -2.232 -0.495 221 HG LEU 31 HG LEU 31 -0.529 -2.966 -3.363 222 1HD1 LEU 31 1HD1 LEU 31 -1.760 -1.211 -3.912 223 2HD1 LEU 31 2HD1 LEU 31 -2.288 -1.133 -2.229 224 3HD1 LEU 31 3HD1 LEU 31 -0.902 -0.178 -2.764 225 1HD2 LEU 31 1HD2 LEU 31 1.334 -1.540 -3.366 226 2HD2 LEU 31 2HD2 LEU 31 0.932 -0.867 -1.786 227 3HD2 LEU 31 3HD2 LEU 31 1.527 -2.522 -1.914 228 H SER 32 H SER 32 2.046 -5.052 0.248 229 HA SER 32 HA SER 32 2.641 -2.650 1.760 230 1HB SER 32 2HB SER 32 3.188 -5.368 2.920 231 2HB SER 32 1HB SER 32 3.258 -3.809 3.737 232 HG SER 32 HG SER 32 0.814 -4.114 2.720 233 H CYS 33 H CYS 33 4.779 -5.183 2.381 234 HA CYS 33 HA CYS 33 6.572 -4.161 0.303 235 1HB CYS 33 2HB CYS 33 7.005 -3.475 2.738 236 2HB CYS 33 1HB CYS 33 7.581 -5.128 2.938 237 H ASP 34 H ASP 34 8.470 -5.553 -0.070 238 HA ASP 34 HA ASP 34 7.733 -8.399 -0.194 239 1HB ASP 34 2HB ASP 34 8.499 -7.364 -2.308 240 2HB ASP 34 1HB ASP 34 10.010 -6.917 -1.533 241 H LEU 35 H LEU 35 10.607 -6.416 0.391 242 HA LEU 35 HA LEU 35 12.076 -8.408 1.702 243 1HB LEU 35 2HB LEU 35 13.235 -6.565 0.749 244 2HB LEU 35 1HB LEU 35 12.313 -5.408 1.688 245 HG LEU 35 HG LEU 35 13.427 -6.151 3.734 246 1HD1 LEU 35 1HD1 LEU 35 13.805 -8.510 2.741 247 2HD1 LEU 35 2HD1 LEU 35 15.289 -7.817 2.088 248 3HD1 LEU 35 3HD1 LEU 35 15.019 -7.836 3.830 249 1HD2 LEU 35 1HD2 LEU 35 15.874 -5.627 2.795 250 2HD2 LEU 35 2HD2 LEU 35 14.922 -5.116 1.401 251 3HD2 LEU 35 3HD2 LEU 35 14.634 -4.387 2.980 252 H CYS 36 H CYS 36 9.902 -5.937 2.981 253 HA CYS 36 HA CYS 36 10.495 -6.338 5.710 254 1HB CYS 36 2HB CYS 36 8.136 -5.205 4.243 255 2HB CYS 36 1HB CYS 36 8.088 -5.407 5.988 256 H GLY 37 H GLY 37 8.917 -8.326 3.463 257 1HA GLY 37 1HA GLY 37 8.520 -10.591 3.912 258 2HA GLY 37 2HA GLY 37 8.343 -10.201 5.617 259 H CYS 38 H CYS 38 6.534 -8.113 3.674 260 HA CYS 38 HA CYS 38 4.103 -9.296 4.651 261 1HB CYS 38 2HB CYS 38 4.123 -7.021 2.716 262 2HB CYS 38 1HB CYS 38 3.070 -7.307 4.096 263 HG CYS 38 HG CYS 38 4.524 -6.154 5.933 264 H ARG 39 H ARG 39 4.761 -8.106 1.357 265 HA ARG 39 HA ARG 39 4.192 -10.638 0.166 266 1HB ARG 39 2HB ARG 39 1.902 -9.635 0.783 267 2HB ARG 39 1HB ARG 39 2.205 -8.490 -0.518 268 1HG ARG 39 2HG ARG 39 2.618 -10.553 -1.976 269 2HG ARG 39 1HG ARG 39 1.837 -11.454 -0.676 270 1HD ARG 39 2HD ARG 39 0.485 -9.018 -1.710 271 2HD ARG 39 1HD ARG 39 0.466 -10.471 -2.714 272 HE ARG 39 HE ARG 39 -1.006 -10.014 -0.289 273 1HH1 ARG 39 2HH1 ARG 39 0.395 -12.496 -2.356 274 2HH1 ARG 39 1HH1 ARG 39 -0.625 -13.758 -1.737 275 1HH2 ARG 39 2HH2 ARG 39 -2.327 -11.679 0.517 276 2HH2 ARG 39 1HH2 ARG 39 -2.167 -13.303 -0.095 277 H LEU 40 H LEU 40 3.155 -7.773 -1.516 278 HA LEU 40 HA LEU 40 3.853 -7.058 -3.586 279 1HB LEU 40 2HB LEU 40 5.361 -6.074 -1.343 280 2HB LEU 40 1HB LEU 40 6.305 -5.974 -2.819 281 HG LEU 40 HG LEU 40 4.183 -4.897 -3.816 282 1HD1 LEU 40 1HD1 LEU 40 3.646 -4.664 -0.893 283 2HD1 LEU 40 2HD1 LEU 40 2.936 -3.586 -2.101 284 3HD1 LEU 40 3HD1 LEU 40 2.602 -5.317 -2.160 285 1HD2 LEU 40 1HD2 LEU 40 5.551 -3.182 -1.780 286 2HD2 LEU 40 2HD2 LEU 40 6.458 -3.829 -3.151 287 3HD2 LEU 40 3HD2 LEU 40 5.066 -2.777 -3.427 288 H GLY 41 H GLY 41 4.214 -8.997 -4.805 289 1HA GLY 41 1HA GLY 41 7.099 -9.402 -5.316 290 2HA GLY 41 2HA GLY 41 6.005 -10.779 -5.201 291 H GLU 42 H GLU 42 4.765 -11.322 -6.839 292 HA GLU 42 HA GLU 42 4.898 -11.606 -9.248 293 1HB GLU 42 2HB GLU 42 2.598 -10.047 -9.555 294 2HB GLU 42 1HB GLU 42 2.695 -11.759 -9.172 295 1HG GLU 42 2HG GLU 42 1.319 -10.860 -7.521 296 2HG GLU 42 1HG GLU 42 2.891 -11.030 -6.737 297 H VAL 43 H VAL 43 3.264 -8.530 -9.526 298 HA VAL 43 HA VAL 43 5.527 -7.307 -10.913 299 HB VAL 43 HB VAL 43 4.253 -8.932 -12.464 300 1HG1 VAL 43 1HG1 VAL 43 2.002 -8.134 -11.772 301 2HG1 VAL 43 2HG1 VAL 43 2.327 -6.627 -12.629 302 3HG1 VAL 43 3HG1 VAL 43 2.264 -8.149 -13.515 303 1HG2 VAL 43 1HG2 VAL 43 4.801 -7.670 -14.348 304 2HG2 VAL 43 2HG2 VAL 43 4.451 -6.142 -13.541 305 3HG2 VAL 43 3HG2 VAL 43 5.883 -7.069 -13.093 306 H GLY 44 H GLY 44 4.656 -5.166 -12.046 307 1HA GLY 44 1HA GLY 44 2.375 -3.910 -10.889 308 2HA GLY 44 2HA GLY 44 3.851 -3.397 -10.089 309 H ARG 45 H ARG 45 2.880 -1.300 -11.043 310 HA ARG 45 HA ARG 45 4.437 -0.711 -13.414 311 1HB ARG 45 2HB ARG 45 1.954 -1.365 -14.001 312 2HB ARG 45 1HB ARG 45 1.618 0.276 -13.465 313 1HG ARG 45 2HG ARG 45 3.696 0.732 -15.123 314 2HG ARG 45 1HG ARG 45 2.982 -0.687 -15.893 315 1HD ARG 45 2HD ARG 45 1.662 1.956 -15.298 316 2HD ARG 45 1HD ARG 45 1.991 1.247 -16.878 317 HE ARG 45 HE ARG 45 0.010 0.201 -14.949 318 1HH1 ARG 45 2HH1 ARG 45 1.080 0.796 -18.237 319 2HH1 ARG 45 1HH1 ARG 45 -0.312 0.044 -18.956 320 1HH2 ARG 45 2HH2 ARG 45 -1.791 -0.816 -15.880 321 2HH2 ARG 45 1HH2 ARG 45 -1.951 -0.882 -17.617 322 H ARG 46 H ARG 46 1.834 0.900 -11.552 323 HA ARG 46 HA ARG 46 3.581 3.238 -11.307 324 1HB ARG 46 2HB ARG 46 0.822 3.387 -10.267 325 2HB ARG 46 1HB ARG 46 1.719 4.533 -11.251 326 1HG ARG 46 2HG ARG 46 0.940 3.686 -13.186 327 2HG ARG 46 1HG ARG 46 0.947 2.027 -12.589 328 1HD ARG 46 2HD ARG 46 -1.241 2.140 -12.241 329 2HD ARG 46 1HD ARG 46 -0.993 3.468 -11.109 330 HE ARG 46 HE ARG 46 -1.417 5.009 -12.854 331 1HH1 ARG 46 2HH1 ARG 46 -1.721 1.673 -13.927 332 2HH1 ARG 46 1HH1 ARG 46 -2.776 2.079 -15.256 333 1HH2 ARG 46 2HH2 ARG 46 -2.799 5.521 -14.612 334 2HH2 ARG 46 1HH2 ARG 46 -3.373 4.243 -15.649 335 H LEU 47 H LEU 47 4.948 2.413 -9.695 336 HA LEU 47 HA LEU 47 4.395 3.125 -7.089 337 1HB LEU 47 2HB LEU 47 2.877 1.101 -7.151 338 2HB LEU 47 1HB LEU 47 4.314 0.116 -7.367 339 HG LEU 47 HG LEU 47 4.797 1.755 -5.117 340 1HD1 LEU 47 1HD1 LEU 47 2.892 0.910 -3.672 341 2HD1 LEU 47 2HD1 LEU 47 2.522 2.234 -4.778 342 3HD1 LEU 47 3HD1 LEU 47 2.031 0.588 -5.177 343 1HD2 LEU 47 1HD2 LEU 47 5.333 -0.229 -4.129 344 2HD2 LEU 47 2HD2 LEU 47 3.946 -1.075 -4.817 345 3HD2 LEU 47 3HD2 LEU 47 5.355 -0.730 -5.820 346 H TYR 48 H TYR 48 6.291 3.084 -5.885 347 HA TYR 48 HA TYR 48 8.621 2.447 -7.442 348 1HB TYR 48 2HB TYR 48 8.665 4.487 -6.144 349 2HB TYR 48 1HB TYR 48 8.381 3.586 -4.655 350 HD1 TYR 48 1HD TYR 48 10.220 3.181 -3.329 351 HD2 TYR 48 2HD TYR 48 10.755 3.538 -7.536 352 HE1 TYR 48 1HE TYR 48 12.640 2.866 -3.040 353 HE2 TYR 48 2HE TYR 48 13.184 3.222 -7.257 354 HH TYR 48 HH TYR 48 14.858 3.000 -5.826 355 H TYR 49 H TYR 49 8.832 0.320 -7.649 356 HA TYR 49 HA TYR 49 9.655 -1.078 -5.209 357 1HB TYR 49 2HB TYR 49 8.936 -3.214 -6.184 358 2HB TYR 49 1HB TYR 49 7.573 -2.122 -5.959 359 HD1 TYR 49 1HD TYR 49 6.190 -1.497 -7.786 360 HD2 TYR 49 2HD TYR 49 9.866 -3.557 -8.484 361 HE1 TYR 49 1HE TYR 49 5.558 -1.838 -10.137 362 HE2 TYR 49 2HE TYR 49 9.230 -3.894 -10.837 363 HH TYR 49 HH TYR 49 7.750 -3.442 -12.429 364 H LYS 50 H LYS 50 11.377 -2.707 -5.714 365 HA LYS 50 HA LYS 50 13.303 -1.374 -7.367 366 1HB LYS 50 2HB LYS 50 13.284 -3.226 -5.165 367 2HB LYS 50 1HB LYS 50 14.394 -3.781 -6.423 368 1HG LYS 50 2HG LYS 50 14.810 -1.002 -6.097 369 2HG LYS 50 1HG LYS 50 14.775 -1.735 -4.490 370 1HD LYS 50 2HD LYS 50 16.561 -3.169 -4.981 371 2HD LYS 50 1HD LYS 50 16.393 -2.926 -6.723 372 1HE LYS 50 2HE LYS 50 17.583 -1.006 -6.699 373 2HE LYS 50 1HE LYS 50 16.941 -0.506 -5.135 374 1HZ LYS 50 1HZ LYS 50 19.263 -0.959 -4.922 375 2HZ LYS 50 2HZ LYS 50 19.090 -2.496 -5.618 376 3HZ LYS 50 3HZ LYS 50 18.410 -2.172 -4.098 377 H LEU 51 H LEU 51 14.752 -2.616 -8.790 378 HA LEU 51 HA LEU 51 13.894 -3.270 -11.139 379 1HB LEU 51 2HB LEU 51 15.701 -5.375 -10.764 380 2HB LEU 51 1HB LEU 51 16.036 -3.768 -11.379 381 HG LEU 51 HG LEU 51 16.087 -3.304 -8.701 382 1HD1 LEU 51 1HD1 LEU 51 16.966 -6.135 -9.166 383 2HD1 LEU 51 2HD1 LEU 51 17.581 -5.164 -7.826 384 3HD1 LEU 51 3HD1 LEU 51 15.855 -5.510 -7.946 385 1HD2 LEU 51 1HD2 LEU 51 18.367 -2.973 -8.968 386 2HD2 LEU 51 2HD2 LEU 51 18.526 -4.300 -10.119 387 3HD2 LEU 51 3HD2 LEU 51 17.738 -2.798 -10.606 388 H GLY 52 H GLY 52 14.278 -5.976 -8.864 389 1HA GLY 52 1HA GLY 52 11.865 -7.181 -10.042 390 2HA GLY 52 2HA GLY 52 13.330 -8.143 -9.900 391 H ARG 53 H ARG 53 12.300 -5.758 -7.542 392 HA ARG 53 HA ARG 53 11.203 -7.775 -5.791 393 1HB ARG 53 2HB ARG 53 12.961 -6.537 -4.032 394 2HB ARG 53 1HB ARG 53 13.067 -8.186 -4.624 395 1HG ARG 53 2HG ARG 53 14.504 -7.406 -6.464 396 2HG ARG 53 1HG ARG 53 14.444 -5.777 -5.789 397 1HD ARG 53 2HD ARG 53 16.052 -6.261 -4.333 398 2HD ARG 53 1HD ARG 53 15.154 -7.660 -3.745 399 HE ARG 53 HE ARG 53 16.623 -7.995 -6.235 400 1HH1 ARG 53 2HH1 ARG 53 16.472 -8.512 -2.775 401 2HH1 ARG 53 1HH1 ARG 53 17.683 -9.758 -2.773 402 1HH2 ARG 53 2HH2 ARG 53 18.264 -9.602 -6.240 403 2HH2 ARG 53 1HH2 ARG 53 18.732 -10.356 -4.741 404 H LYS 54 H LYS 54 9.415 -6.826 -5.159 405 HA LYS 54 HA LYS 54 9.171 -3.968 -5.187 406 1HB LYS 54 2HB LYS 54 7.151 -5.948 -4.146 407 2HB LYS 54 1HB LYS 54 6.856 -4.323 -4.748 408 1HG LYS 54 2HG LYS 54 8.090 -5.623 -6.865 409 2HG LYS 54 1HG LYS 54 6.995 -6.827 -6.179 410 1HD LYS 54 2HD LYS 54 6.114 -4.018 -6.782 411 2HD LYS 54 1HD LYS 54 6.059 -5.298 -7.993 412 1HE LYS 54 2HE LYS 54 4.840 -5.856 -5.346 413 2HE LYS 54 1HE LYS 54 3.995 -4.732 -6.415 414 1HZ LYS 54 1HZ LYS 54 3.510 -7.269 -6.539 415 2HZ LYS 54 2HZ LYS 54 4.917 -7.309 -7.482 416 3HZ LYS 54 3HZ LYS 54 3.602 -6.356 -7.965 417 H LEU 55 H LEU 55 10.925 -3.740 -3.549 418 HA LEU 55 HA LEU 55 9.967 -4.110 -0.798 419 1HB LEU 55 2HB LEU 55 12.108 -4.321 -0.115 420 2HB LEU 55 1HB LEU 55 12.361 -4.769 -1.787 421 HG LEU 55 HG LEU 55 12.867 -2.021 -0.633 422 1HD1 LEU 55 1HD1 LEU 55 14.691 -4.319 -1.276 423 2HD1 LEU 55 2HD1 LEU 55 15.263 -2.661 -1.110 424 3HD1 LEU 55 3HD1 LEU 55 14.502 -3.471 0.258 425 1HD2 LEU 55 1HD2 LEU 55 13.868 -2.994 -3.272 426 2HD2 LEU 55 2HD2 LEU 55 12.234 -2.343 -3.137 427 3HD2 LEU 55 3HD2 LEU 55 13.620 -1.342 -2.704 428 H CYS 56 H CYS 56 10.773 -2.155 0.692 429 HA CYS 56 HA CYS 56 9.460 0.109 -0.559 430 1HB CYS 56 2HB CYS 56 9.379 1.095 1.718 431 2HB CYS 56 1HB CYS 56 8.565 -0.454 1.583 432 H ARG 57 H ARG 57 10.163 2.269 0.150 433 HA ARG 57 HA ARG 57 12.907 2.689 -0.688 434 1HB ARG 57 2HB ARG 57 11.013 4.198 -1.346 435 2HB ARG 57 1HB ARG 57 10.895 4.711 0.329 436 1HG ARG 57 2HG ARG 57 12.101 6.390 -0.793 437 2HG ARG 57 1HG ARG 57 13.295 5.480 0.137 438 1HD ARG 57 2HD ARG 57 13.635 4.125 -2.008 439 2HD ARG 57 1HD ARG 57 12.760 5.426 -2.814 440 HE ARG 57 HE ARG 57 15.220 5.937 -1.267 441 1HH1 ARG 57 2HH1 ARG 57 13.248 6.361 -4.134 442 2HH1 ARG 57 1HH1 ARG 57 14.494 7.225 -5.003 443 1HH2 ARG 57 2HH2 ARG 57 16.828 7.137 -2.397 444 2HH2 ARG 57 1HH2 ARG 57 16.486 7.697 -4.010 445 H ARG 58 H ARG 58 11.548 1.782 2.145 446 HA ARG 58 HA ARG 58 13.261 3.447 3.831 447 1HB ARG 58 2HB ARG 58 11.404 1.510 5.084 448 2HB ARG 58 1HB ARG 58 11.777 3.168 5.532 449 1HG ARG 58 2HG ARG 58 10.016 2.343 3.234 450 2HG ARG 58 1HG ARG 58 9.451 2.886 4.813 451 1HD ARG 58 2HD ARG 58 10.595 5.047 4.440 452 2HD ARG 58 1HD ARG 58 11.066 4.492 2.832 453 HE ARG 58 HE ARG 58 8.918 4.836 2.088 454 1HH1 ARG 58 2HH1 ARG 58 9.035 5.217 5.568 455 2HH1 ARG 58 1HH1 ARG 58 7.410 5.832 5.681 456 1HH2 ARG 58 2HH2 ARG 58 6.817 5.685 2.216 457 2HH2 ARG 58 1HH2 ARG 58 6.151 6.111 3.772 458 H ASP 59 H ASP 59 12.464 -0.035 3.391 459 HA ASP 59 HA ASP 59 14.675 -0.780 5.076 460 1HB ASP 59 2HB ASP 59 14.233 -3.099 4.393 461 2HB ASP 59 1HB ASP 59 12.787 -2.291 4.968 462 H TYR 60 H TYR 60 14.262 -0.047 1.761 463 HA TYR 60 HA TYR 60 16.691 -1.202 0.798 464 1HB TYR 60 2HB TYR 60 15.491 -0.671 -1.055 465 2HB TYR 60 1HB TYR 60 14.578 0.575 -0.217 466 HD1 TYR 60 1HD TYR 60 17.332 -0.139 -2.438 467 HD2 TYR 60 2HD TYR 60 15.533 2.885 -0.039 468 HE1 TYR 60 1HE TYR 60 18.607 1.582 -3.655 469 HE2 TYR 60 2HE TYR 60 16.794 4.608 -1.256 470 HH TYR 60 HH TYR 60 18.396 5.012 -2.733 471 H LEU 61 H LEU 61 15.729 1.759 2.352 472 HA LEU 61 HA LEU 61 18.096 3.259 1.964 473 1HB LEU 61 2HB LEU 61 15.593 3.684 3.039 474 2HB LEU 61 1HB LEU 61 16.633 3.769 4.448 475 HG LEU 61 HG LEU 61 16.113 5.965 3.338 476 1HD1 LEU 61 1HD1 LEU 61 17.882 6.394 4.630 477 2HD1 LEU 61 2HD1 LEU 61 18.732 4.938 4.119 478 3HD1 LEU 61 3HD1 LEU 61 18.793 6.390 3.122 479 1HD2 LEU 61 1HD2 LEU 61 16.559 6.364 1.197 480 2HD2 LEU 61 2HD2 LEU 61 18.164 5.642 1.311 481 3HD2 LEU 61 3HD2 LEU 61 16.755 4.619 1.027 482 H ARG 62 H ARG 62 17.331 0.606 3.990 483 HA ARG 62 HA ARG 62 19.152 1.075 6.108 484 1HB ARG 62 2HB ARG 62 17.419 -1.068 5.242 485 2HB ARG 62 1HB ARG 62 18.968 -1.690 5.796 486 1HG ARG 62 2HG ARG 62 17.840 -1.663 7.771 487 2HG ARG 62 1HG ARG 62 18.509 -0.027 7.803 488 1HD ARG 62 2HD ARG 62 15.976 -0.255 6.378 489 2HD ARG 62 1HD ARG 62 15.864 -0.662 8.090 490 HE ARG 62 HE ARG 62 17.295 1.733 7.827 491 1HH1 ARG 62 2HH1 ARG 62 14.032 0.482 7.512 492 2HH1 ARG 62 1HH1 ARG 62 13.290 2.045 7.662 493 1HH2 ARG 62 2HH2 ARG 62 16.301 3.793 8.008 494 2HH2 ARG 62 1HH2 ARG 62 14.560 3.909 7.932 495 H LEU 63 H LEU 63 19.469 -0.154 2.881 496 HA LEU 63 HA LEU 63 22.286 -0.831 3.413 497 1HB LEU 63 2HB LEU 63 21.812 -2.158 1.127 498 2HB LEU 63 1HB LEU 63 21.606 -2.863 2.719 499 HG LEU 63 HG LEU 63 19.189 -1.521 1.823 500 1HD1 LEU 63 1HD1 LEU 63 19.974 -3.922 0.210 501 2HD1 LEU 63 2HD1 LEU 63 18.608 -2.830 -0.023 502 3HD1 LEU 63 3HD1 LEU 63 20.249 -2.276 -0.364 503 1HD2 LEU 63 1HD2 LEU 63 18.941 -4.346 2.125 504 2HD2 LEU 63 2HD2 LEU 63 19.986 -3.721 3.401 505 3HD2 LEU 63 3HD2 LEU 63 18.365 -3.062 3.188 506 H GLY 64 H GLY 64 20.198 0.102 0.665 507 1HA GLY 64 1HA GLY 64 22.491 1.367 -0.613 508 2HA GLY 64 2HA GLY 64 20.911 1.103 -1.332 509 H GLY 65 H GLY 65 21.066 2.542 1.810 510 1HA GLY 65 1HA GLY 65 20.262 5.098 0.596 511 2HA GLY 65 2HA GLY 65 19.836 4.572 2.219 512 H SER 66 H SER 66 21.049 5.225 3.854 513 HA SER 66 HA SER 66 23.563 6.599 3.221 514 1HB SER 66 2HB SER 66 22.988 7.480 5.707 515 2HB SER 66 1HB SER 66 22.389 8.268 4.246 516 HG SER 66 HG SER 66 20.450 7.770 4.848 517 H GLY 67 H GLY 67 22.838 5.945 6.506 518 1HA GLY 67 1HA GLY 67 25.060 4.030 6.589 519 2HA GLY 67 2HA GLY 67 24.456 4.961 7.952 520 H GLY 68 H GLY 68 21.653 4.209 6.932 521 1HA GLY 68 1HA GLY 68 20.615 1.940 6.758 522 2HA GLY 68 2HA GLY 68 21.635 1.508 8.122 523 H HIS 69 H HIS 69 21.065 4.409 9.043 524 HA HIS 69 HA HIS 69 19.116 3.794 10.959 525 1HB HIS 69 2HB HIS 69 19.017 6.401 11.158 526 2HB HIS 69 1HB HIS 69 20.474 5.543 11.625 527 HD2 HIS 69 2HD HIS 69 19.186 7.920 8.822 528 HE1 HIS 69 1HE HIS 69 23.387 7.557 8.499 529 HE2 HIS 69 2HE HIS 69 21.353 8.875 7.755 530 H MET 70 H MET 70 17.279 5.641 11.212 531 HA MET 70 HA MET 70 15.473 5.092 8.982 532 1HB MET 70 2HB MET 70 14.987 6.338 11.691 533 2HB MET 70 1HB MET 70 13.740 6.076 10.481 534 1HG MET 70 2HG MET 70 15.074 3.621 10.834 535 2HG MET 70 1HG MET 70 14.757 4.277 12.436 536 1HE MET 70 1HE MET 70 12.253 1.457 11.537 537 2HE MET 70 2HE MET 70 12.780 1.836 9.896 538 3HE MET 70 3HE MET 70 13.963 1.731 11.204 539 H GLY 71 H GLY 71 15.836 7.983 11.014 540 1HA GLY 71 1HA GLY 71 16.114 10.192 10.477 541 2HA GLY 71 2HA GLY 71 16.752 9.658 8.930 542 H SER 72 H SER 72 14.817 8.612 7.571 543 HA SER 72 HA SER 72 13.056 9.019 6.235 544 1HB SER 72 2HB SER 72 11.679 10.396 8.523 545 2HB SER 72 1HB SER 72 10.989 9.359 7.275 546 HG SER 72 HG SER 72 12.282 8.691 9.643 547 H GLY 73 H GLY 73 13.819 10.434 4.723 548 1HA GLY 73 1HA GLY 73 12.588 12.601 4.002 549 2HA GLY 73 2HA GLY 73 13.561 13.307 5.280 550 H GLY 74 H GLY 74 15.739 13.621 4.970 551 1HA GLY 74 1HA GLY 74 17.352 12.687 2.938 552 2HA GLY 74 2HA GLY 74 16.520 14.097 2.288 553 H ASP 75 H ASP 75 18.103 15.602 2.242 554 HA ASP 75 HA ASP 75 19.806 16.015 4.564 555 1HB ASP 75 2HB ASP 75 20.882 16.372 2.438 556 2HB ASP 75 1HB ASP 75 19.600 17.463 1.916 557 H VAL 76 H VAL 76 19.632 17.735 5.969 558 HA VAL 76 HA VAL 76 16.991 18.837 6.211 559 HB VAL 76 HB VAL 76 19.431 19.455 7.888 560 1HG1 VAL 76 1HG1 VAL 76 17.921 20.289 9.528 561 2HG1 VAL 76 2HG1 VAL 76 17.491 21.052 7.995 562 3HG1 VAL 76 3HG1 VAL 76 16.519 19.717 8.619 563 1HG2 VAL 76 1HG2 VAL 76 19.271 17.386 8.685 564 2HG2 VAL 76 2HG2 VAL 76 17.665 17.791 9.291 565 3HG2 VAL 76 3HG2 VAL 76 17.848 17.066 7.692 566 H MET 77 H MET 77 16.639 20.228 4.558 567 HA MET 77 HA MET 77 18.480 22.437 4.098 568 1HB MET 77 2HB MET 77 15.908 22.298 2.634 569 2HB MET 77 1HB MET 77 17.524 22.665 2.040 570 1HG MET 77 2HG MET 77 18.044 20.478 1.688 571 2HG MET 77 1HG MET 77 16.947 19.904 2.933 572 1HE MET 77 1HE MET 77 16.205 21.751 -0.939 573 2HE MET 77 2HE MET 77 17.699 20.978 -0.409 574 3HE MET 77 3HE MET 77 16.548 20.084 -1.402 575 H VAL 78 H VAL 78 17.268 24.638 3.675 576 HA VAL 78 HA VAL 78 15.915 25.344 6.108 577 HB VAL 78 HB VAL 78 15.644 27.576 5.129 578 1HG1 VAL 78 1HG1 VAL 78 18.237 26.189 5.260 579 2HG1 VAL 78 2HG1 VAL 78 18.241 27.747 4.434 580 3HG1 VAL 78 3HG1 VAL 78 17.675 27.633 6.101 581 1HG2 VAL 78 1HG2 VAL 78 16.401 28.117 2.918 582 2HG2 VAL 78 2HG2 VAL 78 16.951 26.462 2.654 583 3HG2 VAL 78 3HG2 VAL 78 15.228 26.804 2.803 584 H VAL 79 H VAL 79 14.973 24.112 3.109 585 HA VAL 79 HA VAL 79 12.140 24.651 3.714 586 HB VAL 79 HB VAL 79 12.486 23.619 1.053 587 1HG1 VAL 79 1HG1 VAL 79 10.509 24.771 1.855 588 2HG1 VAL 79 2HG1 VAL 79 11.441 26.251 2.078 589 3HG1 VAL 79 3HG1 VAL 79 11.188 25.605 0.457 590 1HG2 VAL 79 1HG2 VAL 79 14.652 25.193 1.705 591 2HG2 VAL 79 2HG2 VAL 79 14.062 24.866 0.077 592 3HG2 VAL 79 3HG2 VAL 79 13.550 26.326 0.923 593 H GLY 80 H GLY 80 14.012 22.580 4.722 594 1HA GLY 80 1HA GLY 80 13.490 20.102 3.453 595 2HA GLY 80 2HA GLY 80 14.095 20.319 5.091 596 H GLU 81 H GLU 81 12.138 21.535 6.417 597 HA GLU 81 HA GLU 81 10.180 21.223 7.518 598 1HB GLU 81 2HB GLU 81 9.281 20.283 4.786 599 2HB GLU 81 1HB GLU 81 8.197 20.635 6.125 600 1HG GLU 81 2HG GLU 81 10.115 22.679 5.065 601 2HG GLU 81 1HG GLU 81 8.523 22.435 4.349 602 HA PRO 82 HA PRO 82 9.386 17.308 9.401 603 1HB PRO 82 2HB PRO 82 6.946 17.039 7.673 604 2HB PRO 82 1HB PRO 82 7.154 16.613 9.371 605 1HG PRO 82 2HG PRO 82 6.002 18.912 8.701 606 2HG PRO 82 1HG PRO 82 7.130 18.833 10.067 607 1HD PRO 82 2HD PRO 82 7.495 20.053 7.402 608 2HD PRO 82 1HD PRO 82 8.323 20.406 8.930 609 H THR 83 H THR 83 8.205 16.976 6.109 610 HA THR 83 HA THR 83 8.596 14.351 5.604 611 HB THR 83 HB THR 83 9.431 15.827 3.275 612 HG1 THR 83 1HG THR 83 8.274 17.585 3.468 613 1HG2 THR 83 1HG2 THR 83 7.054 14.224 4.143 614 2HG2 THR 83 2HG2 THR 83 8.250 13.859 2.902 615 3HG2 THR 83 3HG2 THR 83 7.030 15.099 2.612 616 H LEU 84 H LEU 84 11.120 16.853 5.134 617 HA LEU 84 HA LEU 84 13.016 14.704 4.530 618 1HB LEU 84 2HB LEU 84 13.534 17.657 4.274 619 2HB LEU 84 1HB LEU 84 14.404 16.338 3.513 620 HG LEU 84 HG LEU 84 11.558 17.118 2.877 621 1HD1 LEU 84 1HD1 LEU 84 13.106 17.530 0.638 622 2HD1 LEU 84 2HD1 LEU 84 12.485 18.775 1.719 623 3HD1 LEU 84 3HD1 LEU 84 14.113 18.140 1.952 624 1HD2 LEU 84 1HD2 LEU 84 13.434 15.135 1.595 625 2HD2 LEU 84 2HD2 LEU 84 11.957 14.770 2.487 626 3HD2 LEU 84 3HD2 LEU 84 11.868 15.619 0.945 627 H MET 85 H MET 85 13.817 13.887 6.386 628 HA MET 85 HA MET 85 15.137 15.791 8.194 629 1HB MET 85 2HB MET 85 13.058 14.691 9.135 630 2HB MET 85 1HB MET 85 13.939 13.170 9.075 631 1HG MET 85 2HG MET 85 15.542 13.936 10.647 632 2HG MET 85 1HG MET 85 14.930 15.587 10.556 633 1HE MET 85 1HE MET 85 13.431 12.055 12.927 634 2HE MET 85 2HE MET 85 14.713 12.136 11.717 635 3HE MET 85 3HE MET 85 14.942 12.887 13.296 636 H GLY 86 H GLY 86 15.196 12.394 7.028 637 1HA GLY 86 1HA GLY 86 18.128 12.492 7.212 638 2HA GLY 86 2HA GLY 86 17.283 11.268 8.139 639 H GLY 87 H GLY 87 16.034 9.663 6.937 640 1HA GLY 87 1HA GLY 87 17.557 8.386 5.015 641 2HA GLY 87 2HA GLY 87 15.867 8.024 5.340 642 H GLU 88 H GLU 88 18.078 9.216 3.127 643 HA GLU 88 HA GLU 88 16.498 11.108 1.798 644 1HB GLU 88 2HB GLU 88 19.038 9.670 1.197 645 2HB GLU 88 1HB GLU 88 18.245 10.537 -0.112 646 1HG GLU 88 2HG GLU 88 18.285 12.253 2.125 647 2HG GLU 88 1HG GLU 88 19.892 11.547 1.969 648 H PHE 89 H PHE 89 14.655 10.696 0.825 649 HA PHE 89 HA PHE 89 14.543 8.477 -1.098 650 1HB PHE 89 2HB PHE 89 12.073 9.994 -0.497 651 2HB PHE 89 1HB PHE 89 12.299 8.277 -0.784 652 HD1 PHE 89 1HD PHE 89 13.748 7.097 1.159 653 HD2 PHE 89 2HD PHE 89 11.328 10.575 1.602 654 HE1 PHE 89 1HE PHE 89 13.539 6.641 3.566 655 HE2 PHE 89 2HE PHE 89 11.111 10.117 4.006 656 HZ PHE 89 HZ PHE 89 12.224 8.155 4.988 657 H GLY 90 H GLY 90 13.506 9.058 -3.184 658 1HA GLY 90 1HA GLY 90 13.016 11.705 -3.965 659 2HA GLY 90 2HA GLY 90 14.708 11.361 -4.283 660 H ASP 91 H ASP 91 11.609 9.638 -4.716 661 HA ASP 91 HA ASP 91 12.490 9.041 -7.465 662 1HB ASP 91 2HB ASP 91 10.733 7.104 -7.156 663 2HB ASP 91 1HB ASP 91 12.369 6.933 -6.539 664 H GLU 92 H GLU 92 9.339 8.483 -6.079 665 HA GLU 92 HA GLU 92 8.205 10.738 -7.553 666 1HB GLU 92 2HB GLU 92 6.258 8.962 -8.035 667 2HB GLU 92 1HB GLU 92 7.572 9.249 -9.166 668 1HG GLU 92 2HG GLU 92 8.777 7.332 -7.990 669 2HG GLU 92 1HG GLU 92 7.218 6.966 -7.251 670 H ASP 93 H ASP 93 6.822 7.935 -5.902 671 HA ASP 93 HA ASP 93 6.160 9.585 -3.591 672 1HB ASP 93 2HB ASP 93 4.229 9.189 -5.480 673 2HB ASP 93 1HB ASP 93 3.971 7.790 -4.443 674 H GLU 94 H GLU 94 8.023 7.438 -4.293 675 HA GLU 94 HA GLU 94 8.668 5.311 -3.813 676 1HB GLU 94 2HB GLU 94 8.447 5.019 -1.145 677 2HB GLU 94 1HB GLU 94 9.690 5.980 -1.927 678 1HG GLU 94 2HG GLU 94 9.038 7.603 -0.555 679 2HG GLU 94 1HG GLU 94 7.663 7.787 -1.645 680 H ARG 95 H ARG 95 6.759 4.826 -1.029 681 HA ARG 95 HA ARG 95 5.211 2.802 -2.469 682 1HB ARG 95 2HB ARG 95 6.395 2.296 -0.253 683 2HB ARG 95 1HB ARG 95 5.149 3.280 0.505 684 1HG ARG 95 2HG ARG 95 4.509 0.979 0.649 685 2HG ARG 95 1HG ARG 95 3.436 1.791 -0.495 686 1HD ARG 95 2HD ARG 95 3.932 0.101 -1.885 687 2HD ARG 95 1HD ARG 95 5.477 0.932 -2.104 688 HE ARG 95 HE ARG 95 5.009 -1.276 -0.205 689 1HH1 ARG 95 2HH1 ARG 95 7.117 0.519 -2.356 690 2HH1 ARG 95 1HH1 ARG 95 8.503 -0.471 -2.022 691 1HH2 ARG 95 2HH2 ARG 95 6.823 -2.545 0.259 692 2HH2 ARG 95 1HH2 ARG 95 8.337 -2.199 -0.500 693 H LEU 96 H LEU 96 3.961 4.370 -3.577 694 HA LEU 96 HA LEU 96 2.306 6.200 -2.147 695 1HB LEU 96 2HB LEU 96 1.087 6.281 -4.417 696 2HB LEU 96 1HB LEU 96 2.719 6.913 -4.312 697 HG LEU 96 HG LEU 96 2.557 4.079 -5.078 698 1HD1 LEU 96 1HD1 LEU 96 0.741 4.534 -6.413 699 2HD1 LEU 96 2HD1 LEU 96 1.203 6.221 -6.647 700 3HD1 LEU 96 3HD1 LEU 96 2.069 4.943 -7.499 701 1HD2 LEU 96 1HD2 LEU 96 3.904 6.136 -6.709 702 2HD2 LEU 96 2HD2 LEU 96 4.470 5.943 -5.047 703 3HD2 LEU 96 3HD2 LEU 96 4.485 4.563 -6.148 704 H ILE 97 H ILE 97 0.657 5.504 -0.902 705 HA ILE 97 HA ILE 97 -1.164 3.536 -2.050 706 HB ILE 97 HB ILE 97 -1.144 2.741 0.576 707 1HG1 ILE 97 2HG1 ILE 97 1.640 2.191 -0.036 708 2HG1 ILE 97 1HG1 ILE 97 1.347 3.913 0.164 709 1HG2 ILE 97 1HG2 ILE 97 -0.207 0.643 -0.343 710 2HG2 ILE 97 2HG2 ILE 97 -1.533 1.309 -1.305 711 3HG2 ILE 97 3HG2 ILE 97 0.138 1.500 -1.845 712 1HD1 ILE 97 1HD1 ILE 97 2.011 2.509 2.216 713 2HD1 ILE 97 2HD1 ILE 97 0.696 3.673 2.372 714 3HD1 ILE 97 3HD1 ILE 97 0.335 1.959 2.181 715 H THR 98 H THR 98 -3.156 4.131 -1.802 716 HA THR 98 HA THR 98 -3.847 6.038 0.285 717 HB THR 98 HB THR 98 -6.104 5.664 -1.254 718 HG1 THR 98 1HG THR 98 -3.779 5.650 -2.935 719 1HG2 THR 98 1HG2 THR 98 -5.763 7.896 -1.852 720 2HG2 THR 98 2HG2 THR 98 -4.009 7.691 -1.911 721 3HG2 THR 98 3HG2 THR 98 -4.840 7.714 -0.354 722 H ARG 99 H ARG 99 -4.405 5.071 2.086 723 HA ARG 99 HA ARG 99 -5.387 2.366 2.202 724 1HB ARG 99 2HB ARG 99 -5.487 4.492 4.369 725 2HB ARG 99 1HB ARG 99 -5.623 2.754 4.592 726 1HG ARG 99 2HG ARG 99 -3.188 3.305 3.230 727 2HG ARG 99 1HG ARG 99 -3.304 4.360 4.636 728 1HD ARG 99 2HD ARG 99 -2.748 1.531 4.492 729 2HD ARG 99 1HD ARG 99 -2.552 2.647 5.839 730 HE ARG 99 HE ARG 99 -5.145 2.218 6.010 731 1HH1 ARG 99 2HH1 ARG 99 -2.583 -0.090 5.336 732 2HH1 ARG 99 1HH1 ARG 99 -3.386 -1.397 6.158 733 1HH2 ARG 99 2HH2 ARG 99 -6.200 0.498 7.067 734 2HH2 ARG 99 1HH2 ARG 99 -5.482 -1.091 7.066 735 H LEU 100 H LEU 100 -7.288 2.298 0.974 736 HA LEU 100 HA LEU 100 -9.311 4.307 1.529 737 1HB LEU 100 2HB LEU 100 -8.423 3.283 -0.799 738 2HB LEU 100 1HB LEU 100 -9.839 2.285 -0.541 739 HG LEU 100 HG LEU 100 -10.790 4.821 -0.051 740 1HD1 LEU 100 1HD1 LEU 100 -9.871 6.381 -1.421 741 2HD1 LEU 100 2HD1 LEU 100 -8.422 5.426 -1.098 742 3HD1 LEU 100 3HD1 LEU 100 -9.321 5.186 -2.597 743 1HD2 LEU 100 1HD2 LEU 100 -11.489 2.758 -1.581 744 2HD2 LEU 100 2HD2 LEU 100 -12.193 4.365 -1.770 745 3HD2 LEU 100 3HD2 LEU 100 -10.894 3.840 -2.840 746 H GLU 101 H GLU 101 -11.568 3.570 1.313 747 HA GLU 101 HA GLU 101 -11.998 1.307 3.138 748 1HB GLU 101 2HB GLU 101 -14.338 2.907 2.907 749 2HB GLU 101 1HB GLU 101 -13.299 2.697 4.311 750 1HG GLU 101 2HG GLU 101 -12.004 4.487 2.554 751 2HG GLU 101 1HG GLU 101 -13.681 5.013 2.705 752 H ASN 102 H ASN 102 -13.398 -0.304 2.584 753 HA ASN 102 HA ASN 102 -14.001 -0.583 -0.211 754 1HB ASN 102 2HB ASN 102 -13.443 -2.388 1.680 755 2HB ASN 102 1HB ASN 102 -15.201 -2.415 1.811 756 1HD2 ASN 102 1HD2 ASN 102 -14.064 -4.681 1.112 757 2HD2 ASN 102 2HD2 ASN 102 -14.275 -5.019 -0.583 758 H THR 103 H THR 103 -16.075 -0.751 -1.149 759 HA THR 103 HA THR 103 -18.012 1.071 -0.220 760 HB THR 103 HB THR 103 -18.304 -1.189 -2.209 761 HG1 THR 103 1HG THR 103 -17.907 1.591 -2.717 762 1HG2 THR 103 1HG2 THR 103 -20.474 -0.477 -1.447 763 2HG2 THR 103 2HG2 THR 103 -20.201 0.133 -3.082 764 3HG2 THR 103 3HG2 THR 103 -20.049 1.217 -1.698 765 H GLN 104 H GLN 104 -17.964 -2.462 -0.282 766 HA GLN 104 HA GLN 104 -20.204 -2.658 1.556 767 1HB GLN 104 2HB GLN 104 -18.382 -4.819 0.471 768 2HB GLN 104 1HB GLN 104 -19.868 -5.077 1.373 769 1HG GLN 104 2HG GLN 104 -19.845 -3.573 -1.218 770 2HG GLN 104 1HG GLN 104 -19.950 -5.333 -1.163 771 1HE2 GLN 104 1HE2 GLN 104 -21.642 -6.078 0.549 772 2HE2 GLN 104 2HE2 GLN 104 -23.192 -5.286 0.423 773 H PHE 105 H PHE 105 -18.478 -1.148 2.773 774 HA PHE 105 HA PHE 105 -16.331 -2.245 4.146 775 1HB PHE 105 2HB PHE 105 -16.398 0.073 4.211 776 2HB PHE 105 1HB PHE 105 -18.116 0.118 4.572 777 HD1 PHE 105 1HD PHE 105 -18.795 0.662 6.691 778 HD2 PHE 105 2HD PHE 105 -14.864 -0.881 6.137 779 HE1 PHE 105 1HE PHE 105 -18.291 1.098 9.057 780 HE2 PHE 105 2HE PHE 105 -14.361 -0.453 8.504 781 HZ PHE 105 HZ PHE 105 -16.073 0.537 9.967 782 H ASP 106 H ASP 106 -19.526 -1.575 5.506 783 HA ASP 106 HA ASP 106 -20.707 -2.391 7.255 784 1HB ASP 106 2HB ASP 106 -21.097 -4.070 5.545 785 2HB ASP 106 1HB ASP 106 -19.647 -4.925 6.018 786 H ALA 107 H ALA 107 -18.407 -4.934 7.208 787 HA ALA 107 HA ALA 107 -16.986 -5.865 8.725 788 1HB ALA 107 1HB ALA 107 -16.887 -3.013 9.653 789 2HB ALA 107 2HB ALA 107 -15.976 -4.287 10.466 790 3HB ALA 107 3HB ALA 107 -15.672 -3.933 8.766 791 H ALA 108 H ALA 108 -19.858 -5.889 9.172 792 HA ALA 108 HA ALA 108 -19.810 -6.433 12.069 793 1HB ALA 108 1HB ALA 108 -22.197 -5.884 12.175 794 2HB ALA 108 2HB ALA 108 -21.238 -4.497 11.657 795 3HB ALA 108 3HB ALA 108 -22.165 -5.422 10.475 796 H ASN 109 H ASN 109 -21.349 -7.165 8.974 797 HA ASN 109 HA ASN 109 -21.798 -9.942 9.848 798 1HB ASN 109 2HB ASN 109 -23.652 -8.515 8.715 799 2HB ASN 109 1HB ASN 109 -22.739 -8.772 7.232 800 1HD2 ASN 109 1HD2 ASN 109 -24.735 -9.814 6.534 801 2HD2 ASN 109 2HD2 ASN 109 -24.989 -11.488 6.939 802 H GLY 110 H GLY 110 -20.204 -7.866 7.522 803 1HA GLY 110 1HA GLY 110 -17.865 -8.911 7.104 804 2HA GLY 110 2HA GLY 110 -18.822 -10.176 6.340 805 H ILE 111 H ILE 111 -18.999 -9.992 4.227 806 HA ILE 111 HA ILE 111 -18.465 -7.462 2.900 807 HB ILE 111 HB ILE 111 -19.438 -9.871 1.415 808 1HG1 ILE 111 2HG1 ILE 111 -16.523 -9.674 2.047 809 2HG1 ILE 111 1HG1 ILE 111 -17.593 -10.387 3.250 810 1HG2 ILE 111 1HG2 ILE 111 -17.383 -7.740 0.860 811 2HG2 ILE 111 2HG2 ILE 111 -17.757 -9.079 -0.223 812 3HG2 ILE 111 3HG2 ILE 111 -18.992 -7.876 0.150 813 1HD1 ILE 111 1HD1 ILE 111 -18.138 -12.174 1.886 814 2HD1 ILE 111 2HD1 ILE 111 -17.630 -11.338 0.419 815 3HD1 ILE 111 3HD1 ILE 111 -16.424 -11.923 1.564 816 H ASP 112 H ASP 112 -21.034 -8.616 4.442 817 HA ASP 112 HA ASP 112 -23.048 -7.788 2.503 818 1HB ASP 112 2HB ASP 112 -23.476 -9.880 3.713 819 2HB ASP 112 1HB ASP 112 -23.362 -9.025 5.247 820 H ASP 113 H ASP 113 -22.277 -5.604 2.609 821 HA ASP 113 HA ASP 113 -22.210 -3.981 4.843 822 1HB ASP 113 2HB ASP 113 -21.472 -2.635 3.205 823 2HB ASP 113 1HB ASP 113 -22.248 -3.616 1.971 824 H GLU 114 H GLU 114 -23.667 -2.816 5.988 825 HA GLU 114 HA GLU 114 -26.502 -3.267 5.345 826 1HB GLU 114 2HB GLU 114 -25.534 -4.335 7.480 827 2HB GLU 114 1HB GLU 114 -25.442 -2.697 8.111 828 1HG GLU 114 2HG GLU 114 -27.454 -3.802 8.874 829 2HG GLU 114 1HG GLU 114 -27.851 -2.444 7.825 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -17.783 -14.926 -12.556 2 2H GLY 1 2H GLY 1 -18.275 -14.290 -14.049 3 3H GLY 1 3H GLY 1 -18.799 -13.568 -12.606 4 1HA GLY 1 2HA GLY 1 -16.038 -13.617 -13.679 5 2HA GLY 1 1HA GLY 1 -17.087 -12.211 -13.526 6 H SER 2 H SER 2 -14.609 -12.116 -12.416 7 HA SER 2 HA SER 2 -15.095 -12.536 -9.547 8 1HB SER 2 2HB SER 2 -12.348 -11.902 -10.293 9 2HB SER 2 1HB SER 2 -12.969 -13.252 -9.348 10 HG SER 2 HG SER 2 -12.200 -13.181 -11.947 11 H LEU 3 H LEU 3 -14.255 -10.882 -8.080 12 HA LEU 3 HA LEU 3 -14.928 -8.244 -9.012 13 1HB LEU 3 2HB LEU 3 -13.985 -9.283 -6.340 14 2HB LEU 3 1HB LEU 3 -14.368 -7.598 -6.635 15 HG LEU 3 HG LEU 3 -16.584 -9.178 -7.486 16 1HD1 LEU 3 1HD1 LEU 3 -16.964 -10.694 -5.887 17 2HD1 LEU 3 2HD1 LEU 3 -15.232 -10.575 -5.570 18 3HD1 LEU 3 3HD1 LEU 3 -16.372 -9.632 -4.609 19 1HD2 LEU 3 1HD2 LEU 3 -16.683 -7.659 -4.954 20 2HD2 LEU 3 2HD2 LEU 3 -16.196 -6.764 -6.393 21 3HD2 LEU 3 3HD2 LEU 3 -17.750 -7.599 -6.358 22 H LEU 4 H LEU 4 -12.468 -8.118 -6.687 23 HA LEU 4 HA LEU 4 -10.529 -7.270 -8.736 24 1HB LEU 4 2HB LEU 4 -10.329 -6.452 -5.866 25 2HB LEU 4 1HB LEU 4 -9.653 -5.677 -7.288 26 HG LEU 4 HG LEU 4 -12.563 -5.679 -7.311 27 1HD1 LEU 4 1HD1 LEU 4 -11.941 -3.657 -5.449 28 2HD1 LEU 4 2HD1 LEU 4 -12.990 -5.056 -5.225 29 3HD1 LEU 4 3HD1 LEU 4 -11.279 -5.161 -4.814 30 1HD2 LEU 4 1HD2 LEU 4 -12.153 -3.836 -8.490 31 2HD2 LEU 4 2HD2 LEU 4 -11.199 -3.134 -7.183 32 3HD2 LEU 4 3HD2 LEU 4 -10.437 -4.224 -8.342 33 H THR 5 H THR 5 -8.264 -7.649 -8.166 34 HA THR 5 HA THR 5 -7.871 -9.811 -6.243 35 HB THR 5 HB THR 5 -6.027 -10.391 -8.218 36 HG1 THR 5 1HG THR 5 -8.580 -10.154 -9.474 37 1HG2 THR 5 1HG2 THR 5 -6.832 -12.394 -7.686 38 2HG2 THR 5 2HG2 THR 5 -8.337 -12.032 -8.534 39 3HG2 THR 5 3HG2 THR 5 -8.163 -11.613 -6.829 40 H CYS 6 H CYS 6 -6.206 -9.482 -4.962 41 HA CYS 6 HA CYS 6 -4.711 -7.048 -5.268 42 1HB CYS 6 2HB CYS 6 -4.949 -7.068 -3.054 43 2HB CYS 6 1HB CYS 6 -5.637 -8.684 -3.121 44 H GLY 7 H GLY 7 -2.494 -6.848 -5.429 45 1HA GLY 7 1HA GLY 7 -1.210 -9.026 -6.818 46 2HA GLY 7 2HA GLY 7 -0.540 -7.426 -6.545 47 H GLY 8 H GLY 8 -1.554 -8.357 -3.603 48 1HA GLY 8 1HA GLY 8 1.153 -9.081 -2.810 49 2HA GLY 8 2HA GLY 8 -0.171 -8.657 -1.737 50 H CYS 9 H CYS 9 -2.119 -10.435 -2.513 51 HA CYS 9 HA CYS 9 -0.841 -13.027 -1.921 52 1HB CYS 9 2HB CYS 9 -2.650 -13.606 -0.468 53 2HB CYS 9 1HB CYS 9 -2.075 -12.015 0.013 54 H GLN 10 H GLN 10 -3.296 -11.319 -3.690 55 HA GLN 10 HA GLN 10 -4.516 -11.820 -5.520 56 1HB GLN 10 2HB GLN 10 -2.159 -13.308 -5.817 57 2HB GLN 10 1HB GLN 10 -3.468 -14.410 -6.226 58 1HG GLN 10 2HG GLN 10 -3.701 -13.455 -8.201 59 2HG GLN 10 1HG GLN 10 -3.959 -11.883 -7.449 60 1HE2 GLN 10 1HE2 GLN 10 -2.059 -10.634 -6.905 61 2HE2 GLN 10 2HE2 GLN 10 -0.643 -10.771 -7.909 62 H GLN 11 H GLN 11 -5.236 -12.897 -2.812 63 HA GLN 11 HA GLN 11 -6.694 -15.328 -3.399 64 1HB GLN 11 2HB GLN 11 -7.340 -15.333 -1.129 65 2HB GLN 11 1HB GLN 11 -5.694 -14.718 -1.137 66 1HG GLN 11 2HG GLN 11 -6.319 -12.830 -0.169 67 2HG GLN 11 1HG GLN 11 -7.578 -12.560 -1.372 68 1HE2 GLN 11 1HE2 GLN 11 -7.206 -12.528 1.733 69 2HE2 GLN 11 2HE2 GLN 11 -8.702 -13.214 2.279 70 H ASN 12 H ASN 12 -7.177 -12.337 -4.392 71 HA ASN 12 HA ASN 12 -8.937 -11.238 -5.335 72 1HB ASN 12 2HB ASN 12 -10.178 -13.065 -6.064 73 2HB ASN 12 1HB ASN 12 -10.396 -13.700 -4.438 74 1HD2 ASN 12 1HD2 ASN 12 -12.183 -13.187 -3.331 75 2HD2 ASN 12 2HD2 ASN 12 -13.419 -12.099 -3.894 76 H ILE 13 H ILE 13 -9.988 -9.482 -4.627 77 HA ILE 13 HA ILE 13 -10.083 -9.110 -1.741 78 HB ILE 13 HB ILE 13 -10.644 -7.010 -3.803 79 1HG1 ILE 13 2HG1 ILE 13 -7.931 -7.287 -2.600 80 2HG1 ILE 13 1HG1 ILE 13 -8.360 -8.372 -3.916 81 1HG2 ILE 13 1HG2 ILE 13 -10.683 -5.569 -2.099 82 2HG2 ILE 13 2HG2 ILE 13 -10.814 -6.987 -1.057 83 3HG2 ILE 13 3HG2 ILE 13 -9.233 -6.264 -1.371 84 1HD1 ILE 13 1HD1 ILE 13 -8.307 -6.738 -5.464 85 2HD1 ILE 13 2HD1 ILE 13 -8.922 -5.515 -4.351 86 3HD1 ILE 13 3HD1 ILE 13 -7.224 -5.988 -4.288 87 H GLY 14 H GLY 14 -11.879 -9.774 -0.803 88 1HA GLY 14 1HA GLY 14 -14.449 -9.223 -2.153 89 2HA GLY 14 2HA GLY 14 -14.176 -10.542 -1.019 90 H ASP 15 H ASP 15 -12.548 -7.908 0.117 91 HA ASP 15 HA ASP 15 -14.396 -7.473 2.256 92 1HB ASP 15 2HB ASP 15 -11.883 -5.967 1.494 93 2HB ASP 15 1HB ASP 15 -12.775 -5.748 3.000 94 H ARG 16 H ARG 16 -14.737 -4.954 2.819 95 HA ARG 16 HA ARG 16 -16.267 -3.954 0.552 96 1HB ARG 16 2HB ARG 16 -17.463 -2.591 2.064 97 2HB ARG 16 1HB ARG 16 -17.250 -4.130 2.879 98 1HG ARG 16 2HG ARG 16 -15.934 -3.249 4.491 99 2HG ARG 16 1HG ARG 16 -15.202 -2.073 3.399 100 1HD ARG 16 2HD ARG 16 -17.474 -0.908 3.411 101 2HD ARG 16 1HD ARG 16 -17.856 -1.926 4.798 102 HE ARG 16 HE ARG 16 -15.502 -0.819 5.515 103 1HH1 ARG 16 2HH1 ARG 16 -18.510 0.555 4.339 104 2HH1 ARG 16 1HH1 ARG 16 -18.279 2.073 5.143 105 1HH2 ARG 16 2HH2 ARG 16 -15.214 1.181 6.599 106 2HH2 ARG 16 1HH2 ARG 16 -16.446 2.410 6.465 107 H TYR 17 H TYR 17 -13.437 -3.185 2.420 108 HA TYR 17 HA TYR 17 -13.013 -0.823 0.707 109 1HB TYR 17 2HB TYR 17 -13.367 -0.749 3.423 110 2HB TYR 17 1HB TYR 17 -11.615 -0.862 3.300 111 HD1 TYR 17 1HD TYR 17 -10.674 1.208 3.661 112 HD2 TYR 17 2HD TYR 17 -14.195 0.945 1.286 113 HE1 TYR 17 1HE TYR 17 -10.563 3.627 3.231 114 HE2 TYR 17 2HE TYR 17 -14.097 3.362 0.855 115 HH TYR 17 HH TYR 17 -11.393 5.251 1.477 116 H PHE 18 H PHE 18 -10.973 -0.608 -0.195 117 HA PHE 18 HA PHE 18 -8.859 -2.408 0.627 118 1HB PHE 18 2HB PHE 18 -8.591 -3.564 -1.412 119 2HB PHE 18 1HB PHE 18 -10.297 -3.672 -1.030 120 HD1 PHE 18 1HD PHE 18 -8.057 -3.219 -3.587 121 HD2 PHE 18 2HD PHE 18 -11.704 -1.575 -2.114 122 HE1 PHE 18 1HE PHE 18 -8.587 -2.372 -5.831 123 HE2 PHE 18 2HE PHE 18 -12.238 -0.745 -4.358 124 HZ PHE 18 HZ PHE 18 -10.679 -1.139 -6.218 125 H LEU 19 H LEU 19 -6.954 -2.126 -1.013 126 HA LEU 19 HA LEU 19 -6.678 0.763 -1.537 127 1HB LEU 19 2HB LEU 19 -4.885 -1.218 -0.227 128 2HB LEU 19 1HB LEU 19 -4.134 0.006 -1.226 129 HG LEU 19 HG LEU 19 -6.048 0.799 0.946 130 1HD1 LEU 19 1HD1 LEU 19 -4.684 -0.002 2.512 131 2HD1 LEU 19 2HD1 LEU 19 -3.509 -0.521 1.303 132 3HD1 LEU 19 3HD1 LEU 19 -3.457 1.124 1.935 133 1HD2 LEU 19 1HD2 LEU 19 -5.460 2.851 0.338 134 2HD2 LEU 19 2HD2 LEU 19 -3.753 2.467 0.558 135 3HD2 LEU 19 3HD2 LEU 19 -4.534 2.159 -0.992 136 H LYS 20 H LYS 20 -5.813 1.350 -3.513 137 HA LYS 20 HA LYS 20 -4.382 -0.520 -5.139 138 1HB LYS 20 2HB LYS 20 -6.090 -1.386 -6.294 139 2HB LYS 20 1HB LYS 20 -7.239 -0.365 -5.450 140 1HG LYS 20 2HG LYS 20 -5.715 0.855 -7.674 141 2HG LYS 20 1HG LYS 20 -6.935 -0.334 -8.086 142 1HD LYS 20 2HD LYS 20 -7.617 1.876 -6.200 143 2HD LYS 20 1HD LYS 20 -7.579 2.186 -7.936 144 1HE LYS 20 2HE LYS 20 -9.079 -0.167 -6.879 145 2HE LYS 20 1HE LYS 20 -9.797 1.438 -6.779 146 1HZ LYS 20 1HZ LYS 20 -8.708 0.529 -9.356 147 2HZ LYS 20 2HZ LYS 20 -9.985 1.598 -9.043 148 3HZ LYS 20 3HZ LYS 20 -10.213 -0.069 -8.844 149 H ALA 21 H ALA 21 -3.309 0.552 -6.906 150 HA ALA 21 HA ALA 21 -3.803 3.028 -7.969 151 1HB ALA 21 1HB ALA 21 -1.786 3.534 -5.817 152 2HB ALA 21 2HB ALA 21 -2.733 4.688 -6.758 153 3HB ALA 21 3HB ALA 21 -3.510 3.733 -5.494 154 H ILE 22 H ILE 22 -1.205 1.094 -6.592 155 HA ILE 22 HA ILE 22 0.965 2.039 -7.920 156 HB ILE 22 HB ILE 22 0.347 -0.807 -7.125 157 1HG1 ILE 22 2HG1 ILE 22 1.944 1.436 -5.879 158 2HG1 ILE 22 1HG1 ILE 22 0.486 0.682 -5.244 159 1HG2 ILE 22 1HG2 ILE 22 3.156 -0.300 -7.314 160 2HG2 ILE 22 2HG2 ILE 22 2.193 -1.551 -8.101 161 3HG2 ILE 22 3HG2 ILE 22 2.390 0.026 -8.868 162 1HD1 ILE 22 1HD1 ILE 22 1.712 -0.770 -4.119 163 2HD1 ILE 22 2HD1 ILE 22 2.473 -1.323 -5.612 164 3HD1 ILE 22 3HD1 ILE 22 3.171 0.026 -4.715 165 H ASP 23 H ASP 23 -1.094 -0.606 -9.067 166 HA ASP 23 HA ASP 23 -0.907 0.036 -11.802 167 1HB ASP 23 2HB ASP 23 1.460 -0.962 -11.116 168 2HB ASP 23 1HB ASP 23 0.603 -2.492 -11.244 169 H GLN 24 H GLN 24 -1.717 -1.898 -9.175 170 HA GLN 24 HA GLN 24 -3.925 -3.067 -10.619 171 1HB GLN 24 2HB GLN 24 -3.478 -5.329 -9.702 172 2HB GLN 24 1HB GLN 24 -2.250 -4.805 -10.843 173 1HG GLN 24 2HG GLN 24 -1.565 -4.103 -8.123 174 2HG GLN 24 1HG GLN 24 -1.827 -5.835 -8.317 175 1HE2 GLN 24 1HE2 GLN 24 0.471 -3.562 -8.349 176 2HE2 GLN 24 2HE2 GLN 24 1.624 -4.282 -9.435 177 H TYR 25 H TYR 25 -5.101 -4.541 -8.778 178 HA TYR 25 HA TYR 25 -5.647 -2.631 -6.652 179 1HB TYR 25 2HB TYR 25 -7.032 -5.278 -6.871 180 2HB TYR 25 1HB TYR 25 -7.663 -3.730 -6.312 181 HD1 TYR 25 1HD TYR 25 -8.136 -6.033 -8.728 182 HD2 TYR 25 2HD TYR 25 -7.319 -1.868 -8.403 183 HE1 TYR 25 1HE TYR 25 -9.137 -5.671 -10.944 184 HE2 TYR 25 2HE TYR 25 -8.330 -1.496 -10.618 185 HH TYR 25 HH TYR 25 -9.411 -2.421 -12.346 186 H TRP 26 H TRP 26 -5.605 -3.220 -4.430 187 HA TRP 26 HA TRP 26 -3.891 -5.523 -3.804 188 1HB TRP 26 2HB TRP 26 -3.655 -2.756 -2.592 189 2HB TRP 26 1HB TRP 26 -2.692 -4.160 -2.155 190 HD1 TRP 26 HD TRP 26 -2.971 -1.414 -4.765 191 HE1 TRP 26 1HE TRP 26 -0.864 -1.463 -6.235 192 HE3 TRP 26 3HE TRP 26 -0.915 -5.789 -3.104 193 HZ2 TRP 26 2HZ TRP 26 1.363 -3.132 -6.653 194 HZ3 TRP 26 3HZ TRP 26 1.207 -6.540 -4.098 195 HH2 TRP 26 HH TRP 26 2.321 -5.233 -5.836 196 H HIS 27 H HIS 27 -3.747 -5.160 -1.141 197 HA HIS 27 HA HIS 27 -6.535 -5.196 -0.195 198 1HB HIS 27 2HB HIS 27 -4.322 -7.114 0.255 199 2HB HIS 27 1HB HIS 27 -5.227 -6.658 1.693 200 HD2 HIS 27 2HD HIS 27 -8.234 -6.795 0.719 201 HE1 HIS 27 1HE HIS 27 -7.212 -10.634 -0.753 202 HE2 HIS 27 2HE HIS 27 -9.098 -9.181 0.137 203 H GLU 28 H GLU 28 -6.734 -4.460 2.070 204 HA GLU 28 HA GLU 28 -5.371 -2.046 2.473 205 1HB GLU 28 2HB GLU 28 -7.430 -3.614 3.822 206 2HB GLU 28 1HB GLU 28 -6.428 -2.704 4.938 207 1HG GLU 28 2HG GLU 28 -6.916 -0.654 3.660 208 2HG GLU 28 1HG GLU 28 -7.980 -1.592 2.613 209 H ASP 29 H ASP 29 -4.854 -5.262 3.841 210 HA ASP 29 HA ASP 29 -2.564 -4.185 5.349 211 1HB ASP 29 2HB ASP 29 -4.597 -5.310 6.511 212 2HB ASP 29 1HB ASP 29 -3.874 -6.813 5.950 213 H CYS 30 H CYS 30 -3.012 -5.638 2.546 214 HA CYS 30 HA CYS 30 -1.127 -7.818 2.829 215 1HB CYS 30 2HB CYS 30 -3.019 -6.896 0.787 216 2HB CYS 30 1HB CYS 30 -1.512 -7.537 0.141 217 H LEU 31 H LEU 31 -1.234 -4.620 1.399 218 HA LEU 31 HA LEU 31 1.098 -4.707 -0.082 219 1HB LEU 31 2HB LEU 31 -0.764 -2.715 0.786 220 2HB LEU 31 1HB LEU 31 0.866 -2.088 0.944 221 HG LEU 31 HG LEU 31 -0.083 -3.371 -1.603 222 1HD1 LEU 31 1HD1 LEU 31 -1.592 -1.494 -0.916 223 2HD1 LEU 31 2HD1 LEU 31 -0.189 -0.426 -1.002 224 3HD1 LEU 31 3HD1 LEU 31 -0.754 -1.260 -2.451 225 1HD2 LEU 31 1HD2 LEU 31 2.096 -1.378 -0.986 226 2HD2 LEU 31 2HD2 LEU 31 2.322 -3.087 -1.348 227 3HD2 LEU 31 3HD2 LEU 31 1.695 -1.999 -2.585 228 H SER 32 H SER 32 2.803 -5.637 0.867 229 HA SER 32 HA SER 32 4.328 -4.045 2.742 230 1HB SER 32 2HB SER 32 4.365 -6.881 3.513 231 2HB SER 32 1HB SER 32 4.261 -5.447 4.529 232 HG SER 32 HG SER 32 2.047 -6.350 3.024 233 H CYS 33 H CYS 33 6.623 -4.711 2.715 234 HA CYS 33 HA CYS 33 7.390 -5.444 0.115 235 1HB CYS 33 2HB CYS 33 9.617 -5.823 1.780 236 2HB CYS 33 1HB CYS 33 9.256 -4.447 0.752 237 H ASP 34 H ASP 34 9.087 -7.137 -0.301 238 HA ASP 34 HA ASP 34 8.087 -9.726 0.488 239 1HB ASP 34 2HB ASP 34 9.017 -9.115 -1.805 240 2HB ASP 34 1HB ASP 34 10.608 -9.156 -1.061 241 H LEU 35 H LEU 35 11.056 -7.868 0.905 242 HA LEU 35 HA LEU 35 12.396 -9.834 2.421 243 1HB LEU 35 2HB LEU 35 13.441 -7.936 1.155 244 2HB LEU 35 1HB LEU 35 12.929 -6.868 2.449 245 HG LEU 35 HG LEU 35 14.337 -8.067 4.037 246 1HD1 LEU 35 1HD1 LEU 35 15.684 -9.905 3.482 247 2HD1 LEU 35 2HD1 LEU 35 14.107 -10.273 2.783 248 3HD1 LEU 35 3HD1 LEU 35 15.415 -9.692 1.752 249 1HD2 LEU 35 1HD2 LEU 35 16.547 -7.510 3.029 250 2HD2 LEU 35 2HD2 LEU 35 15.717 -7.201 1.505 251 3HD2 LEU 35 3HD2 LEU 35 15.354 -6.215 2.922 252 H CYS 36 H CYS 36 11.148 -6.674 3.577 253 HA CYS 36 HA CYS 36 11.174 -7.678 6.292 254 1HB CYS 36 2HB CYS 36 9.942 -5.051 5.796 255 2HB CYS 36 1HB CYS 36 11.194 -5.509 6.945 256 H GLY 37 H GLY 37 8.718 -6.014 4.334 257 1HA GLY 37 1HA GLY 37 6.471 -6.423 4.092 258 2HA GLY 37 2HA GLY 37 6.739 -8.001 4.823 259 H CYS 38 H CYS 38 6.864 -4.598 5.863 260 HA CYS 38 HA CYS 38 5.752 -5.331 8.442 261 1HB CYS 38 2HB CYS 38 6.001 -2.472 7.774 262 2HB CYS 38 1HB CYS 38 6.574 -3.353 9.187 263 HG CYS 38 HG CYS 38 8.686 -2.064 7.710 264 H ARG 39 H ARG 39 4.874 -2.504 6.507 265 HA ARG 39 HA ARG 39 2.349 -3.334 5.660 266 1HB ARG 39 2HB ARG 39 2.378 -2.823 8.430 267 2HB ARG 39 1HB ARG 39 1.611 -1.423 7.695 268 1HG ARG 39 2HG ARG 39 0.769 -4.243 7.095 269 2HG ARG 39 1HG ARG 39 0.082 -3.288 8.410 270 1HD ARG 39 2HD ARG 39 0.100 -2.441 5.517 271 2HD ARG 39 1HD ARG 39 -1.254 -3.246 6.309 272 HE ARG 39 HE ARG 39 -0.278 -0.524 6.869 273 1HH1 ARG 39 2HH1 ARG 39 -2.669 -3.041 7.369 274 2HH1 ARG 39 1HH1 ARG 39 -3.895 -1.943 7.935 275 1HH2 ARG 39 2HH2 ARG 39 -1.860 0.909 7.676 276 2HH2 ARG 39 1HH2 ARG 39 -3.432 0.305 8.115 277 H LEU 40 H LEU 40 2.230 -2.080 3.921 278 HA LEU 40 HA LEU 40 2.757 0.810 4.216 279 1HB LEU 40 2HB LEU 40 2.789 -0.497 1.535 280 2HB LEU 40 1HB LEU 40 3.632 0.938 2.076 281 HG LEU 40 HG LEU 40 4.573 -1.502 3.385 282 1HD1 LEU 40 1HD1 LEU 40 3.928 -2.334 1.097 283 2HD1 LEU 40 2HD1 LEU 40 5.116 -1.214 0.437 284 3HD1 LEU 40 3HD1 LEU 40 5.633 -2.516 1.512 285 1HD2 LEU 40 1HD2 LEU 40 5.709 0.646 3.550 286 2HD2 LEU 40 2HD2 LEU 40 6.742 -0.548 2.768 287 3HD2 LEU 40 3HD2 LEU 40 5.927 0.677 1.799 288 H GLY 41 H GLY 41 0.487 0.794 4.988 289 1HA GLY 41 1HA GLY 41 -1.409 0.574 2.730 290 2HA GLY 41 2HA GLY 41 -1.787 -0.001 4.348 291 H GLU 42 H GLU 42 -0.282 3.026 3.273 292 HA GLU 42 HA GLU 42 -2.326 4.503 4.771 293 1HB GLU 42 2HB GLU 42 -0.809 6.469 4.309 294 2HB GLU 42 1HB GLU 42 -0.129 5.213 5.334 295 1HG GLU 42 2HG GLU 42 0.479 4.680 2.584 296 2HG GLU 42 1HG GLU 42 0.971 6.318 3.019 297 H VAL 43 H VAL 43 -2.042 6.949 3.234 298 HA VAL 43 HA VAL 43 -3.181 6.103 0.649 299 HB VAL 43 HB VAL 43 -4.569 8.308 0.877 300 1HG1 VAL 43 1HG1 VAL 43 -5.084 5.575 1.402 301 2HG1 VAL 43 2HG1 VAL 43 -5.982 6.524 2.586 302 3HG1 VAL 43 3HG1 VAL 43 -6.211 6.819 0.862 303 1HG2 VAL 43 1HG2 VAL 43 -3.370 8.179 3.444 304 2HG2 VAL 43 2HG2 VAL 43 -4.531 9.355 2.834 305 3HG2 VAL 43 3HG2 VAL 43 -5.098 7.894 3.639 306 H GLY 44 H GLY 44 -0.611 7.487 1.960 307 1HA GLY 44 1HA GLY 44 0.543 8.470 -0.257 308 2HA GLY 44 2HA GLY 44 -0.430 9.836 0.268 309 H ARG 45 H ARG 45 2.178 7.646 1.268 310 HA ARG 45 HA ARG 45 3.546 9.852 2.472 311 1HB ARG 45 2HB ARG 45 2.028 9.269 4.290 312 2HB ARG 45 1HB ARG 45 2.569 7.614 4.229 313 1HG ARG 45 2HG ARG 45 3.917 8.209 5.900 314 2HG ARG 45 1HG ARG 45 4.917 8.915 4.626 315 1HD ARG 45 2HD ARG 45 2.900 10.273 6.384 316 2HD ARG 45 1HD ARG 45 4.628 10.606 6.238 317 HE ARG 45 HE ARG 45 3.153 10.930 3.794 318 1HH1 ARG 45 2HH1 ARG 45 4.027 12.525 6.792 319 2HH1 ARG 45 1HH1 ARG 45 4.142 14.108 6.067 320 1HH2 ARG 45 2HH2 ARG 45 3.287 13.008 2.844 321 2HH2 ARG 45 1HH2 ARG 45 3.677 14.386 3.833 322 H ARG 46 H ARG 46 4.018 6.566 3.626 323 HA ARG 46 HA ARG 46 6.528 6.536 2.099 324 1HB ARG 46 2HB ARG 46 6.217 4.463 4.135 325 2HB ARG 46 1HB ARG 46 7.538 5.593 3.870 326 1HG ARG 46 2HG ARG 46 6.844 6.926 5.506 327 2HG ARG 46 1HG ARG 46 5.179 6.902 4.936 328 1HD ARG 46 2HD ARG 46 6.540 4.862 6.685 329 2HD ARG 46 1HD ARG 46 5.232 5.957 7.135 330 HE ARG 46 HE ARG 46 3.911 4.700 5.366 331 1HH1 ARG 46 2HH1 ARG 46 6.436 3.236 7.310 332 2HH1 ARG 46 1HH1 ARG 46 5.813 1.624 7.124 333 1HH2 ARG 46 2HH2 ARG 46 3.102 2.628 5.095 334 2HH2 ARG 46 1HH2 ARG 46 3.895 1.271 5.863 335 H LEU 47 H LEU 47 5.071 5.928 0.244 336 HA LEU 47 HA LEU 47 4.792 2.999 0.204 337 1HB LEU 47 2HB LEU 47 2.640 4.408 -0.035 338 2HB LEU 47 1HB LEU 47 3.246 4.814 -1.629 339 HG LEU 47 HG LEU 47 1.567 2.810 -1.255 340 1HD1 LEU 47 1HD1 LEU 47 3.454 1.790 -3.126 341 2HD1 LEU 47 2HD1 LEU 47 1.926 2.618 -3.427 342 3HD1 LEU 47 3HD1 LEU 47 3.414 3.549 -3.253 343 1HD2 LEU 47 1HD2 LEU 47 2.793 1.511 0.298 344 2HD2 LEU 47 2HD2 LEU 47 2.876 0.662 -1.247 345 3HD2 LEU 47 3HD2 LEU 47 4.258 1.598 -0.680 346 H TYR 48 H TYR 48 6.299 2.103 -0.971 347 HA TYR 48 HA TYR 48 7.103 3.336 -3.495 348 1HB TYR 48 2HB TYR 48 9.279 2.065 -1.901 349 2HB TYR 48 1HB TYR 48 9.359 3.395 -3.048 350 HD1 TYR 48 1HD TYR 48 8.915 5.709 -2.310 351 HD2 TYR 48 2HD TYR 48 8.864 2.456 0.442 352 HE1 TYR 48 1HE TYR 48 9.048 7.292 -0.444 353 HE2 TYR 48 2HE TYR 48 8.984 4.041 2.315 354 HH TYR 48 HH TYR 48 8.561 7.434 1.887 355 H TYR 49 H TYR 49 8.211 1.716 -4.915 356 HA TYR 49 HA TYR 49 8.114 -1.031 -4.138 357 1HB TYR 49 2HB TYR 49 6.219 -1.810 -5.095 358 2HB TYR 49 1HB TYR 49 5.668 -0.150 -4.886 359 HD1 TYR 49 1HD TYR 49 6.004 1.439 -6.921 360 HD2 TYR 49 2HD TYR 49 6.164 -2.809 -7.182 361 HE1 TYR 49 1HE TYR 49 5.534 1.573 -9.333 362 HE2 TYR 49 2HE TYR 49 5.696 -2.681 -9.593 363 HH TYR 49 HH TYR 49 6.074 -0.841 -11.456 364 H LYS 50 H LYS 50 9.254 -2.361 -5.510 365 HA LYS 50 HA LYS 50 11.074 -0.947 -7.242 366 1HB LYS 50 2HB LYS 50 11.093 -3.409 -5.761 367 2HB LYS 50 1HB LYS 50 11.532 -3.730 -7.432 368 1HG LYS 50 2HG LYS 50 12.907 -1.972 -5.434 369 2HG LYS 50 1HG LYS 50 13.562 -3.322 -6.362 370 1HD LYS 50 2HD LYS 50 13.252 -1.966 -8.429 371 2HD LYS 50 1HD LYS 50 12.771 -0.607 -7.411 372 1HE LYS 50 2HE LYS 50 14.951 -0.668 -6.304 373 2HE LYS 50 1HE LYS 50 15.426 -2.033 -7.317 374 1HZ LYS 50 1HZ LYS 50 16.335 -0.275 -8.443 375 2HZ LYS 50 2HZ LYS 50 15.080 0.795 -8.050 376 3HZ LYS 50 3HZ LYS 50 14.838 -0.399 -9.230 377 H LEU 51 H LEU 51 11.716 -2.038 -9.319 378 HA LEU 51 HA LEU 51 10.072 -1.618 -11.320 379 1HB LEU 51 2HB LEU 51 11.362 -3.045 -12.724 380 2HB LEU 51 1HB LEU 51 12.418 -2.320 -11.531 381 HG LEU 51 HG LEU 51 11.326 -5.108 -11.211 382 1HD1 LEU 51 1HD1 LEU 51 14.091 -4.949 -12.046 383 2HD1 LEU 51 2HD1 LEU 51 12.779 -5.955 -12.659 384 3HD1 LEU 51 3HD1 LEU 51 12.989 -4.314 -13.269 385 1HD2 LEU 51 1HD2 LEU 51 12.184 -4.553 -9.170 386 2HD2 LEU 51 2HD2 LEU 51 13.648 -5.157 -9.956 387 3HD2 LEU 51 3HD2 LEU 51 13.357 -3.419 -9.848 388 H GLY 52 H GLY 52 10.088 -4.835 -9.719 389 1HA GLY 52 1HA GLY 52 7.377 -5.202 -10.790 390 2HA GLY 52 2HA GLY 52 8.588 -6.424 -11.128 391 H ARG 53 H ARG 53 8.708 -4.851 -8.036 392 HA ARG 53 HA ARG 53 7.058 -6.883 -6.793 393 1HB ARG 53 2HB ARG 53 8.768 -7.756 -5.320 394 2HB ARG 53 1HB ARG 53 9.241 -8.007 -6.992 395 1HG ARG 53 2HG ARG 53 11.089 -6.789 -6.766 396 2HG ARG 53 1HG ARG 53 10.262 -5.518 -5.888 397 1HD ARG 53 2HD ARG 53 11.535 -6.233 -4.177 398 2HD ARG 53 1HD ARG 53 10.262 -7.447 -4.017 399 HE ARG 53 HE ARG 53 12.257 -8.232 -5.872 400 1HH1 ARG 53 2HH1 ARG 53 11.680 -7.942 -2.430 401 2HH1 ARG 53 1HH1 ARG 53 12.633 -9.338 -2.015 402 1HH2 ARG 53 2HH2 ARG 53 13.514 -10.083 -5.333 403 2HH2 ARG 53 1HH2 ARG 53 13.668 -10.551 -3.663 404 H LYS 54 H LYS 54 6.493 -6.441 -4.647 405 HA LYS 54 HA LYS 54 6.601 -3.630 -3.977 406 1HB LYS 54 2HB LYS 54 5.484 -5.307 -1.892 407 2HB LYS 54 1HB LYS 54 4.720 -4.030 -2.824 408 1HG LYS 54 2HG LYS 54 3.633 -5.483 -4.115 409 2HG LYS 54 1HG LYS 54 5.071 -6.479 -4.353 410 1HD LYS 54 2HD LYS 54 4.656 -7.273 -1.936 411 2HD LYS 54 1HD LYS 54 3.042 -6.594 -2.146 412 1HE LYS 54 2HE LYS 54 2.562 -8.660 -2.910 413 2HE LYS 54 1HE LYS 54 3.242 -8.032 -4.414 414 1HZ LYS 54 1HZ LYS 54 5.453 -8.905 -3.338 415 2HZ LYS 54 2HZ LYS 54 4.423 -9.949 -4.188 416 3HZ LYS 54 3HZ LYS 54 4.396 -9.928 -2.495 417 H LEU 55 H LEU 55 7.985 -2.704 -2.633 418 HA LEU 55 HA LEU 55 9.113 -4.059 -0.385 419 1HB LEU 55 2HB LEU 55 11.171 -4.562 -1.106 420 2HB LEU 55 1HB LEU 55 10.478 -4.467 -2.709 421 HG LEU 55 HG LEU 55 11.890 -2.169 -1.350 422 1HD1 LEU 55 1HD1 LEU 55 13.864 -2.802 -2.313 423 2HD1 LEU 55 2HD1 LEU 55 13.167 -4.387 -1.986 424 3HD1 LEU 55 3HD1 LEU 55 13.075 -3.702 -3.608 425 1HD2 LEU 55 1HD2 LEU 55 10.162 -1.856 -3.287 426 2HD2 LEU 55 2HD2 LEU 55 11.708 -1.009 -3.331 427 3HD2 LEU 55 3HD2 LEU 55 11.475 -2.470 -4.292 428 H CYS 56 H CYS 56 10.423 -2.502 0.964 429 HA CYS 56 HA CYS 56 9.281 0.148 0.608 430 1HB CYS 56 2HB CYS 56 10.133 0.677 2.829 431 2HB CYS 56 1HB CYS 56 9.188 -0.801 2.854 432 H ARG 57 H ARG 57 10.875 1.916 1.477 433 HA ARG 57 HA ARG 57 13.021 1.994 -0.483 434 1HB ARG 57 2HB ARG 57 11.424 3.944 0.091 435 2HB ARG 57 1HB ARG 57 12.429 4.160 1.518 436 1HG ARG 57 2HG ARG 57 13.342 5.652 0.012 437 2HG ARG 57 1HG ARG 57 14.393 4.245 -0.149 438 1HD ARG 57 2HD ARG 57 13.392 3.605 -2.188 439 2HD ARG 57 1HD ARG 57 12.026 4.695 -1.949 440 HE ARG 57 HE ARG 57 14.594 6.017 -2.103 441 1HH1 ARG 57 2HH1 ARG 57 11.981 4.697 -4.039 442 2HH1 ARG 57 1HH1 ARG 57 12.166 5.878 -5.308 443 1HH2 ARG 57 2HH2 ARG 57 14.831 7.555 -3.747 444 2HH2 ARG 57 1HH2 ARG 57 13.747 7.548 -5.111 445 H ARG 58 H ARG 58 12.676 0.874 2.617 446 HA ARG 58 HA ARG 58 15.378 1.621 3.449 447 1HB ARG 58 2HB ARG 58 13.951 -0.333 5.114 448 2HB ARG 58 1HB ARG 58 14.777 1.146 5.576 449 1HG ARG 58 2HG ARG 58 12.130 1.285 4.209 450 2HG ARG 58 1HG ARG 58 12.223 0.921 5.932 451 1HD ARG 58 2HD ARG 58 13.179 2.995 6.435 452 2HD ARG 58 1HD ARG 58 13.648 3.285 4.759 453 HE ARG 58 HE ARG 58 10.804 3.185 5.519 454 1HH1 ARG 58 2HH1 ARG 58 13.549 4.970 4.255 455 2HH1 ARG 58 1HH1 ARG 58 12.574 6.269 3.639 456 1HH2 ARG 58 2HH2 ARG 58 9.531 4.850 4.698 457 2HH2 ARG 58 1HH2 ARG 58 10.266 6.185 3.857 458 H ASP 59 H ASP 59 13.456 -1.321 2.849 459 HA ASP 59 HA ASP 59 15.817 -2.947 2.913 460 1HB ASP 59 2HB ASP 59 14.461 -4.766 2.841 461 2HB ASP 59 1HB ASP 59 13.319 -3.582 3.442 462 H TYR 60 H TYR 60 14.384 -0.998 0.577 463 HA TYR 60 HA TYR 60 15.563 -2.306 -1.717 464 1HB TYR 60 2HB TYR 60 14.031 -0.943 -2.664 465 2HB TYR 60 1HB TYR 60 13.924 0.071 -1.234 466 HD1 TYR 60 1HD TYR 60 15.163 2.124 -1.073 467 HD2 TYR 60 2HD TYR 60 15.656 -0.423 -4.446 468 HE1 TYR 60 1HE TYR 60 16.295 3.943 -2.274 469 HE2 TYR 60 2HE TYR 60 16.807 1.389 -5.649 470 HH TYR 60 HH TYR 60 18.212 3.653 -4.685 471 H LEU 61 H LEU 61 16.347 0.262 0.547 472 HA LEU 61 HA LEU 61 18.826 0.995 -0.673 473 1HB LEU 61 2HB LEU 61 17.150 1.952 1.373 474 2HB LEU 61 1HB LEU 61 18.682 1.587 2.146 475 HG LEU 61 HG LEU 61 19.743 3.331 1.160 476 1HD1 LEU 61 1HD1 LEU 61 17.950 3.168 -1.251 477 2HD1 LEU 61 2HD1 LEU 61 19.442 4.094 -1.087 478 3HD1 LEU 61 3HD1 LEU 61 19.495 2.331 -1.101 479 1HD2 LEU 61 1HD2 LEU 61 17.622 4.173 2.220 480 2HD2 LEU 61 2HD2 LEU 61 18.369 5.249 1.037 481 3HD2 LEU 61 3HD2 LEU 61 16.952 4.294 0.592 482 H ARG 62 H ARG 62 17.784 -1.491 1.411 483 HA ARG 62 HA ARG 62 20.166 -2.040 2.807 484 1HB ARG 62 2HB ARG 62 17.553 -3.191 2.539 485 2HB ARG 62 1HB ARG 62 18.759 -4.464 2.415 486 1HG ARG 62 2HG ARG 62 18.426 -4.445 4.662 487 2HG ARG 62 1HG ARG 62 19.744 -3.279 4.543 488 1HD ARG 62 2HD ARG 62 17.690 -1.604 4.246 489 2HD ARG 62 1HD ARG 62 16.882 -2.857 5.190 490 HE ARG 62 HE ARG 62 19.398 -1.627 6.102 491 1HH1 ARG 62 2HH1 ARG 62 16.001 -2.341 6.618 492 2HH1 ARG 62 1HH1 ARG 62 16.063 -1.994 8.327 493 1HH2 ARG 62 2HH2 ARG 62 19.479 -1.207 8.352 494 2HH2 ARG 62 1HH2 ARG 62 18.040 -1.387 9.315 495 H LEU 63 H LEU 63 19.053 -2.915 -0.388 496 HA LEU 63 HA LEU 63 21.550 -4.431 -0.764 497 1HB LEU 63 2HB LEU 63 19.943 -5.375 -2.749 498 2HB LEU 63 1HB LEU 63 20.229 -6.173 -1.216 499 HG LEU 63 HG LEU 63 18.068 -4.268 -0.989 500 1HD1 LEU 63 1HD1 LEU 63 16.465 -5.503 -2.405 501 2HD1 LEU 63 2HD1 LEU 63 17.698 -4.657 -3.338 502 3HD1 LEU 63 3HD1 LEU 63 17.814 -6.401 -3.101 503 1HD2 LEU 63 1HD2 LEU 63 17.830 -5.794 0.627 504 2HD2 LEU 63 2HD2 LEU 63 17.049 -6.780 -0.610 505 3HD2 LEU 63 3HD2 LEU 63 18.761 -7.007 -0.251 506 H GLY 64 H GLY 64 19.109 -2.470 -2.452 507 1HA GLY 64 1HA GLY 64 21.016 -1.973 -4.610 508 2HA GLY 64 2HA GLY 64 19.317 -1.521 -4.599 509 H GLY 65 H GLY 65 21.162 -0.806 -1.794 510 1HA GLY 65 1HA GLY 65 21.390 2.005 -2.670 511 2HA GLY 65 2HA GLY 65 20.873 1.565 -1.046 512 H SER 66 H SER 66 22.391 0.730 0.425 513 HA SER 66 HA SER 66 25.146 1.453 -0.212 514 1HB SER 66 2HB SER 66 24.529 0.363 2.466 515 2HB SER 66 1HB SER 66 25.437 1.811 2.016 516 HG SER 66 HG SER 66 23.332 2.756 1.492 517 H GLY 67 H GLY 67 25.288 -0.821 2.179 518 1HA GLY 67 1HA GLY 67 25.710 -3.003 0.233 519 2HA GLY 67 2HA GLY 67 26.817 -2.703 1.569 520 H GLY 68 H GLY 68 25.338 -2.408 3.724 521 1HA GLY 68 1HA GLY 68 23.331 -4.538 3.818 522 2HA GLY 68 2HA GLY 68 24.781 -4.751 4.790 523 H HIS 69 H HIS 69 24.453 -1.558 4.824 524 HA HIS 69 HA HIS 69 23.334 -1.559 7.461 525 1HB HIS 69 2HB HIS 69 25.180 0.000 6.252 526 2HB HIS 69 1HB HIS 69 23.769 1.032 6.110 527 HD2 HIS 69 2HD HIS 69 25.334 -0.993 9.127 528 HE1 HIS 69 1HE HIS 69 24.094 2.853 10.386 529 HE2 HIS 69 2HE HIS 69 25.330 0.742 11.061 530 H MET 70 H MET 70 22.265 1.206 7.036 531 HA MET 70 HA MET 70 19.535 0.353 6.575 532 1HB MET 70 2HB MET 70 20.747 2.932 7.556 533 2HB MET 70 1HB MET 70 19.021 2.733 7.294 534 1HG MET 70 2HG MET 70 19.871 0.560 8.872 535 2HG MET 70 1HG MET 70 20.598 2.015 9.553 536 1HE MET 70 1HE MET 70 19.393 4.121 9.937 537 2HE MET 70 2HE MET 70 17.768 4.213 10.617 538 3HE MET 70 3HE MET 70 19.049 3.381 11.501 539 H GLY 71 H GLY 71 21.330 3.241 5.532 540 1HA GLY 71 1HA GLY 71 21.494 3.764 3.122 541 2HA GLY 71 2HA GLY 71 19.877 3.082 2.960 542 H SER 72 H SER 72 18.740 4.186 5.268 543 HA SER 72 HA SER 72 18.111 6.833 4.388 544 1HB SER 72 2HB SER 72 17.436 5.403 6.982 545 2HB SER 72 1HB SER 72 16.719 6.920 6.441 546 HG SER 72 HG SER 72 16.520 4.372 5.181 547 H GLY 73 H GLY 73 19.679 8.315 4.523 548 1HA GLY 73 1HA GLY 73 21.606 8.211 6.678 549 2HA GLY 73 2HA GLY 73 21.642 9.291 5.291 550 H GLY 74 H GLY 74 21.593 9.366 8.465 551 1HA GLY 74 1HA GLY 74 21.344 11.423 9.666 552 2HA GLY 74 2HA GLY 74 20.084 11.892 8.529 553 H ASP 75 H ASP 75 18.108 10.515 8.551 554 HA ASP 75 HA ASP 75 17.657 8.999 10.965 555 1HB ASP 75 2HB ASP 75 16.997 11.512 11.350 556 2HB ASP 75 1HB ASP 75 15.584 11.086 10.388 557 H VAL 76 H VAL 76 15.598 7.813 10.861 558 HA VAL 76 HA VAL 76 15.003 7.049 8.109 559 HB VAL 76 HB VAL 76 13.374 5.795 10.203 560 1HG1 VAL 76 1HG1 VAL 76 13.237 4.377 8.500 561 2HG1 VAL 76 2HG1 VAL 76 14.577 5.163 7.663 562 3HG1 VAL 76 3HG1 VAL 76 14.898 3.893 8.844 563 1HG2 VAL 76 1HG2 VAL 76 15.649 4.348 10.604 564 2HG2 VAL 76 2HG2 VAL 76 16.273 5.996 10.567 565 3HG2 VAL 76 3HG2 VAL 76 15.009 5.557 11.719 566 H MET 77 H MET 77 12.897 7.163 7.230 567 HA MET 77 HA MET 77 11.555 9.545 7.862 568 1HB MET 77 2HB MET 77 10.515 7.259 6.188 569 2HB MET 77 1HB MET 77 9.983 8.935 6.130 570 1HG MET 77 2HG MET 77 12.179 9.613 5.337 571 2HG MET 77 1HG MET 77 12.726 7.943 5.415 572 1HE MET 77 1HE MET 77 9.675 9.927 2.864 573 2HE MET 77 2HE MET 77 10.869 10.620 3.962 574 3HE MET 77 3HE MET 77 11.294 10.311 2.279 575 H VAL 78 H VAL 78 10.749 9.611 9.905 576 HA VAL 78 HA VAL 78 8.610 7.692 10.522 577 HB VAL 78 HB VAL 78 10.826 7.695 11.923 578 1HG1 VAL 78 1HG1 VAL 78 10.002 10.317 12.396 579 2HG1 VAL 78 2HG1 VAL 78 9.646 9.443 13.886 580 3HG1 VAL 78 3HG1 VAL 78 11.283 9.433 13.227 581 1HG2 VAL 78 1HG2 VAL 78 9.388 7.229 14.008 582 2HG2 VAL 78 2HG2 VAL 78 8.016 7.527 12.940 583 3HG2 VAL 78 3HG2 VAL 78 9.153 6.229 12.576 584 H VAL 79 H VAL 79 9.505 10.929 10.105 585 HA VAL 79 HA VAL 79 7.041 11.924 11.326 586 HB VAL 79 HB VAL 79 8.208 14.168 10.669 587 1HG1 VAL 79 1HG1 VAL 79 7.779 13.757 12.930 588 2HG1 VAL 79 2HG1 VAL 79 8.903 12.400 12.983 589 3HG1 VAL 79 3HG1 VAL 79 9.516 14.048 12.860 590 1HG2 VAL 79 1HG2 VAL 79 10.720 12.651 11.137 591 2HG2 VAL 79 2HG2 VAL 79 10.044 12.704 9.509 592 3HG2 VAL 79 3HG2 VAL 79 10.471 14.202 10.334 593 H GLY 80 H GLY 80 7.684 10.544 8.612 594 1HA GLY 80 1HA GLY 80 6.494 10.583 6.620 595 2HA GLY 80 2HA GLY 80 5.866 12.168 7.054 596 H GLU 81 H GLU 81 7.886 13.784 7.292 597 HA GLU 81 HA GLU 81 9.500 13.485 4.853 598 1HB GLU 81 2HB GLU 81 9.178 16.115 4.786 599 2HB GLU 81 1HB GLU 81 8.033 15.024 4.021 600 1HG GLU 81 2HG GLU 81 7.358 15.487 6.787 601 2HG GLU 81 1HG GLU 81 7.475 16.999 5.886 602 HA PRO 82 HA PRO 82 12.425 14.808 8.079 603 1HB PRO 82 2HB PRO 82 14.073 12.712 7.970 604 2HB PRO 82 1HB PRO 82 12.507 12.586 8.782 605 1HG PRO 82 2HG PRO 82 13.375 11.485 6.173 606 2HG PRO 82 1HG PRO 82 12.146 10.883 7.296 607 1HD PRO 82 2HD PRO 82 11.753 12.472 4.942 608 2HD PRO 82 1HD PRO 82 10.526 11.911 6.094 609 H THR 83 H THR 83 15.103 14.273 7.685 610 HA THR 83 HA THR 83 15.646 15.500 5.075 611 HB THR 83 HB THR 83 18.010 15.664 6.491 612 HG1 THR 83 1HG THR 83 16.652 14.999 8.380 613 1HG2 THR 83 1HG2 THR 83 15.792 17.704 6.418 614 2HG2 THR 83 2HG2 THR 83 16.930 17.399 5.105 615 3HG2 THR 83 3HG2 THR 83 17.509 18.033 6.646 616 H LEU 84 H LEU 84 17.073 14.560 3.682 617 HA LEU 84 HA LEU 84 17.835 11.812 4.389 618 1HB LEU 84 2HB LEU 84 17.947 12.161 1.590 619 2HB LEU 84 1HB LEU 84 16.824 11.185 2.515 620 HG LEU 84 HG LEU 84 16.283 14.104 2.168 621 1HD1 LEU 84 1HD1 LEU 84 15.736 11.949 0.134 622 2HD1 LEU 84 2HD1 LEU 84 15.010 13.558 0.118 623 3HD1 LEU 84 3HD1 LEU 84 16.753 13.377 -0.074 624 1HD2 LEU 84 1HD2 LEU 84 14.711 11.630 2.745 625 2HD2 LEU 84 2HD2 LEU 84 14.723 13.176 3.595 626 3HD2 LEU 84 3HD2 LEU 84 13.917 13.034 2.033 627 H MET 85 H MET 85 19.884 11.893 5.062 628 HA MET 85 HA MET 85 21.817 13.513 3.563 629 1HB MET 85 2HB MET 85 21.522 13.457 6.175 630 2HB MET 85 1HB MET 85 22.507 12.006 6.057 631 1HG MET 85 2HG MET 85 23.806 13.937 4.507 632 2HG MET 85 1HG MET 85 23.299 14.757 5.983 633 1HE MET 85 1HE MET 85 26.119 14.964 7.136 634 2HE MET 85 2HE MET 85 27.111 13.879 6.161 635 3HE MET 85 3HE MET 85 25.922 14.925 5.383 636 H GLY 86 H GLY 86 20.611 10.634 3.133 637 1HA GLY 86 1HA GLY 86 23.140 9.546 2.123 638 2HA GLY 86 2HA GLY 86 22.111 8.512 3.109 639 H GLY 87 H GLY 87 20.292 7.614 2.248 640 1HA GLY 87 1HA GLY 87 20.014 7.602 -0.615 641 2HA GLY 87 2HA GLY 87 18.959 6.802 0.548 642 H GLU 88 H GLU 88 18.975 9.089 -1.778 643 HA GLU 88 HA GLU 88 17.346 11.042 -0.408 644 1HB GLU 88 2HB GLU 88 18.271 10.779 -3.262 645 2HB GLU 88 1HB GLU 88 17.183 12.056 -2.731 646 1HG GLU 88 2HG GLU 88 19.249 12.139 -0.898 647 2HG GLU 88 1HG GLU 88 20.049 11.819 -2.431 648 H PHE 89 H PHE 89 15.623 9.732 0.254 649 HA PHE 89 HA PHE 89 14.161 8.100 -1.520 650 1HB PHE 89 2HB PHE 89 12.622 9.093 0.764 651 2HB PHE 89 1HB PHE 89 13.016 7.439 0.304 652 HD1 PHE 89 1HD PHE 89 13.866 10.237 2.445 653 HD2 PHE 89 2HD PHE 89 15.172 6.456 0.985 654 HE1 PHE 89 1HE PHE 89 15.480 10.081 4.293 655 HE2 PHE 89 2HE PHE 89 16.789 6.300 2.826 656 HZ PHE 89 HZ PHE 89 16.941 8.112 4.486 657 H GLY 90 H GLY 90 12.025 8.326 -2.248 658 1HA GLY 90 1HA GLY 90 11.027 11.082 -2.444 659 2HA GLY 90 2HA GLY 90 11.048 10.036 -3.863 660 H ASP 91 H ASP 91 9.630 10.604 -0.740 661 HA ASP 91 HA ASP 91 8.055 8.331 -0.487 662 1HB ASP 91 2HB ASP 91 6.674 9.701 1.060 663 2HB ASP 91 1HB ASP 91 8.394 9.833 1.364 664 H GLU 92 H GLU 92 6.935 11.511 -1.487 665 HA GLU 92 HA GLU 92 4.529 10.457 -2.677 666 1HB GLU 92 2HB GLU 92 5.656 13.110 -2.084 667 2HB GLU 92 1HB GLU 92 4.706 13.047 -3.562 668 1HG GLU 92 2HG GLU 92 3.085 11.722 -1.842 669 2HG GLU 92 1HG GLU 92 3.864 12.878 -0.763 670 H ASP 93 H ASP 93 7.716 11.266 -3.677 671 HA ASP 93 HA ASP 93 7.249 11.644 -6.439 672 1HB ASP 93 2HB ASP 93 9.305 12.422 -5.451 673 2HB ASP 93 1HB ASP 93 9.722 10.797 -4.921 674 H GLU 94 H GLU 94 7.572 8.813 -4.457 675 HA GLU 94 HA GLU 94 8.043 7.008 -6.642 676 1HB GLU 94 2HB GLU 94 7.886 6.857 -3.739 677 2HB GLU 94 1HB GLU 94 7.084 5.500 -4.517 678 1HG GLU 94 2HG GLU 94 9.869 6.345 -5.231 679 2HG GLU 94 1HG GLU 94 9.525 5.213 -3.925 680 H ARG 95 H ARG 95 5.624 6.008 -4.427 681 HA ARG 95 HA ARG 95 3.534 6.360 -6.459 682 1HB ARG 95 2HB ARG 95 4.870 3.985 -6.022 683 2HB ARG 95 1HB ARG 95 3.428 3.809 -5.036 684 1HG ARG 95 2HG ARG 95 2.945 2.879 -7.152 685 2HG ARG 95 1HG ARG 95 2.087 4.418 -7.064 686 1HD ARG 95 2HD ARG 95 4.279 5.336 -8.180 687 2HD ARG 95 1HD ARG 95 4.469 3.658 -8.687 688 HE ARG 95 HE ARG 95 1.952 5.061 -9.248 689 1HH1 ARG 95 2HH1 ARG 95 4.926 3.598 -10.396 690 2HH1 ARG 95 1HH1 ARG 95 4.377 3.466 -12.041 691 1HH2 ARG 95 2HH2 ARG 95 1.223 4.893 -11.409 692 2HH2 ARG 95 1HH2 ARG 95 2.285 4.237 -12.627 693 H LEU 96 H LEU 96 1.365 5.985 -5.615 694 HA LEU 96 HA LEU 96 1.176 6.384 -2.705 695 1HB LEU 96 2HB LEU 96 -1.149 7.384 -4.078 696 2HB LEU 96 1HB LEU 96 -0.099 8.203 -2.939 697 HG LEU 96 HG LEU 96 1.149 8.025 -5.538 698 1HD1 LEU 96 1HD1 LEU 96 -1.666 8.976 -5.392 699 2HD1 LEU 96 2HD1 LEU 96 -0.523 9.842 -6.422 700 3HD1 LEU 96 3HD1 LEU 96 -0.825 8.124 -6.689 701 1HD2 LEU 96 1HD2 LEU 96 1.835 10.128 -5.026 702 2HD2 LEU 96 2HD2 LEU 96 0.270 10.594 -4.356 703 3HD2 LEU 96 3HD2 LEU 96 1.377 9.605 -3.404 704 H ILE 97 H ILE 97 -1.429 6.011 -2.258 705 HA ILE 97 HA ILE 97 -2.393 3.759 -3.767 706 HB ILE 97 HB ILE 97 -2.837 2.921 -1.130 707 1HG1 ILE 97 2HG1 ILE 97 0.121 3.271 -1.589 708 2HG1 ILE 97 1HG1 ILE 97 -0.824 4.378 -0.601 709 1HG2 ILE 97 1HG2 ILE 97 -1.465 0.968 -1.875 710 2HG2 ILE 97 2HG2 ILE 97 -2.760 1.431 -2.975 711 3HG2 ILE 97 3HG2 ILE 97 -1.092 1.871 -3.342 712 1HD1 ILE 97 1HD1 ILE 97 0.346 2.722 0.749 713 2HD1 ILE 97 2HD1 ILE 97 -1.403 2.556 0.903 714 3HD1 ILE 97 3HD1 ILE 97 -0.494 1.429 -0.104 715 H THR 98 H THR 98 -4.546 3.753 -3.842 716 HA THR 98 HA THR 98 -5.901 5.755 -2.196 717 HB THR 98 HB THR 98 -5.905 5.145 -5.033 718 HG1 THR 98 1HG THR 98 -6.221 7.239 -3.339 719 1HG2 THR 98 1HG2 THR 98 -8.606 5.390 -3.725 720 2HG2 THR 98 2HG2 THR 98 -7.962 3.953 -4.519 721 3HG2 THR 98 3HG2 THR 98 -8.278 5.411 -5.459 722 H ARG 99 H ARG 99 -7.455 5.120 -0.841 723 HA ARG 99 HA ARG 99 -8.124 2.307 -0.713 724 1HB ARG 99 2HB ARG 99 -8.106 4.560 1.132 725 2HB ARG 99 1HB ARG 99 -9.574 3.595 1.263 726 1HG ARG 99 2HG ARG 99 -8.439 1.710 1.920 727 2HG ARG 99 1HG ARG 99 -6.928 2.245 1.183 728 1HD ARG 99 2HD ARG 99 -6.258 3.046 3.128 729 2HD ARG 99 1HD ARG 99 -7.644 4.136 3.166 730 HE ARG 99 HE ARG 99 -8.116 1.402 4.047 731 1HH1 ARG 99 2HH1 ARG 99 -7.565 4.745 4.922 732 2HH1 ARG 99 1HH1 ARG 99 -8.007 4.505 6.585 733 1HH2 ARG 99 2HH2 ARG 99 -8.768 1.100 6.162 734 2HH2 ARG 99 1HH2 ARG 99 -8.766 2.439 7.276 735 H LEU 100 H LEU 100 -9.623 1.669 -2.062 736 HA LEU 100 HA LEU 100 -11.799 3.500 -2.734 737 1HB LEU 100 2HB LEU 100 -10.173 2.185 -4.369 738 2HB LEU 100 1HB LEU 100 -11.398 0.939 -4.177 739 HG LEU 100 HG LEU 100 -12.928 3.133 -4.733 740 1HD1 LEU 100 1HD1 LEU 100 -11.096 3.531 -6.913 741 2HD1 LEU 100 2HD1 LEU 100 -11.843 4.716 -5.841 742 3HD1 LEU 100 3HD1 LEU 100 -10.334 3.932 -5.373 743 1HD2 LEU 100 1HD2 LEU 100 -11.773 0.945 -6.403 744 2HD2 LEU 100 2HD2 LEU 100 -13.428 1.174 -5.841 745 3HD2 LEU 100 3HD2 LEU 100 -12.794 2.178 -7.146 746 H GLU 101 H GLU 101 -13.802 2.330 -3.440 747 HA GLU 101 HA GLU 101 -14.684 0.550 -1.288 748 1HB GLU 101 2HB GLU 101 -16.646 1.782 -3.139 749 2HB GLU 101 1HB GLU 101 -16.732 1.559 -1.396 750 1HG GLU 101 2HG GLU 101 -15.937 3.597 -0.984 751 2HG GLU 101 1HG GLU 101 -14.684 3.460 -2.208 752 H ASN 102 H ASN 102 -15.138 -1.501 -1.741 753 HA ASN 102 HA ASN 102 -14.665 -2.546 -4.329 754 1HB ASN 102 2HB ASN 102 -14.353 -3.687 -2.043 755 2HB ASN 102 1HB ASN 102 -16.078 -4.049 -2.139 756 1HD2 ASN 102 1HD2 ASN 102 -14.316 -6.064 -1.943 757 2HD2 ASN 102 2HD2 ASN 102 -14.209 -6.937 -3.444 758 H THR 103 H THR 103 -17.629 -3.134 -2.443 759 HA THR 103 HA THR 103 -19.094 -3.036 -4.976 760 HB THR 103 HB THR 103 -20.156 -4.370 -2.505 761 HG1 THR 103 1HG THR 103 -18.292 -5.464 -2.607 762 1HG2 THR 103 1HG2 THR 103 -21.661 -4.189 -4.399 763 2HG2 THR 103 2HG2 THR 103 -21.167 -5.871 -4.202 764 3HG2 THR 103 3HG2 THR 103 -20.442 -4.881 -5.469 765 H GLN 104 H GLN 104 -21.295 -3.196 -2.520 766 HA GLN 104 HA GLN 104 -21.575 -0.316 -2.185 767 1HB GLN 104 2HB GLN 104 -23.816 -2.101 -3.167 768 2HB GLN 104 1HB GLN 104 -23.948 -0.388 -2.800 769 1HG GLN 104 2HG GLN 104 -21.866 -0.646 -4.669 770 2HG GLN 104 1HG GLN 104 -23.183 -1.671 -5.233 771 1HE2 GLN 104 1HE2 GLN 104 -22.450 0.477 -6.711 772 2HE2 GLN 104 2HE2 GLN 104 -23.670 1.716 -6.619 773 H PHE 105 H PHE 105 -20.925 -0.803 -0.075 774 HA PHE 105 HA PHE 105 -21.882 -2.716 1.613 775 1HB PHE 105 2HB PHE 105 -21.520 -0.299 3.135 776 2HB PHE 105 1HB PHE 105 -20.510 -1.737 3.078 777 HD1 PHE 105 1HD PHE 105 -18.775 -1.914 1.276 778 HD2 PHE 105 2HD PHE 105 -20.844 1.696 2.143 779 HE1 PHE 105 1HE PHE 105 -17.010 -0.632 0.138 780 HE2 PHE 105 2HE PHE 105 -19.089 2.987 1.003 781 HZ PHE 105 HZ PHE 105 -17.168 1.822 -0.003 782 H ASP 106 H ASP 106 -22.872 0.590 2.382 783 HA ASP 106 HA ASP 106 -25.605 -0.430 2.804 784 1HB ASP 106 2HB ASP 106 -24.057 0.716 4.692 785 2HB ASP 106 1HB ASP 106 -24.813 2.157 4.021 786 H ALA 107 H ALA 107 -24.140 2.762 2.324 787 HA ALA 107 HA ALA 107 -26.179 3.304 0.271 788 1HB ALA 107 1HB ALA 107 -25.221 4.868 2.445 789 2HB ALA 107 2HB ALA 107 -24.782 5.674 0.938 790 3HB ALA 107 3HB ALA 107 -26.469 5.270 1.263 791 H ALA 108 H ALA 108 -22.783 3.316 1.026 792 HA ALA 108 HA ALA 108 -20.900 3.255 -0.226 793 1HB ALA 108 1HB ALA 108 -22.897 2.408 -2.284 794 2HB ALA 108 2HB ALA 108 -21.200 2.637 -2.707 795 3HB ALA 108 3HB ALA 108 -21.650 1.458 -1.477 796 H ASN 109 H ASN 109 -23.193 4.660 -2.556 797 HA ASN 109 HA ASN 109 -21.319 6.855 -3.035 798 1HB ASN 109 2HB ASN 109 -22.632 5.430 -4.833 799 2HB ASN 109 1HB ASN 109 -23.924 6.573 -4.482 800 1HD2 ASN 109 1HD2 ASN 109 -23.671 7.138 -6.726 801 2HD2 ASN 109 2HD2 ASN 109 -22.451 8.299 -7.176 802 H GLY 110 H GLY 110 -23.598 6.247 -0.851 803 1HA GLY 110 1HA GLY 110 -24.864 8.896 -0.952 804 2HA GLY 110 2HA GLY 110 -25.409 7.537 0.022 805 H ILE 111 H ILE 111 -25.172 9.964 1.198 806 HA ILE 111 HA ILE 111 -22.594 10.105 2.534 807 HB ILE 111 HB ILE 111 -24.870 11.790 3.442 808 1HG1 ILE 111 2HG1 ILE 111 -23.413 12.778 1.046 809 2HG1 ILE 111 1HG1 ILE 111 -24.646 11.554 0.768 810 1HG2 ILE 111 1HG2 ILE 111 -22.509 13.239 2.839 811 2HG2 ILE 111 2HG2 ILE 111 -23.182 12.845 4.421 812 3HG2 ILE 111 3HG2 ILE 111 -22.035 11.747 3.653 813 1HD1 ILE 111 1HD1 ILE 111 -26.062 13.184 2.302 814 2HD1 ILE 111 2HD1 ILE 111 -24.920 14.360 1.653 815 3HD1 ILE 111 3HD1 ILE 111 -25.921 13.407 0.558 816 H ASP 112 H ASP 112 -25.808 8.953 3.058 817 HA ASP 112 HA ASP 112 -25.366 8.544 5.912 818 1HB ASP 112 2HB ASP 112 -27.623 9.218 4.763 819 2HB ASP 112 1HB ASP 112 -27.761 7.490 4.444 820 H ASP 113 H ASP 113 -23.463 7.213 4.844 821 HA ASP 113 HA ASP 113 -24.251 4.478 4.252 822 1HB ASP 113 2HB ASP 113 -22.368 5.693 3.040 823 2HB ASP 113 1HB ASP 113 -21.440 5.550 4.531 824 H GLU 114 H GLU 114 -24.604 3.110 5.858 825 HA GLU 114 HA GLU 114 -23.267 3.588 8.433 826 1HB GLU 114 2HB GLU 114 -25.972 3.380 7.836 827 2HB GLU 114 1HB GLU 114 -25.569 1.804 8.505 828 1HG GLU 114 2HG GLU 114 -24.355 3.435 10.285 829 2HG GLU 114 1HG GLU 114 -25.731 4.428 9.803 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -16.098 -12.707 -2.719 2 2H GLY 1 2H GLY 1 -17.121 -12.178 -3.964 3 3H GLY 1 3H GLY 1 -17.387 -11.655 -2.371 4 1HA GLY 1 2HA GLY 1 -15.860 -10.051 -2.477 5 2HA GLY 1 1HA GLY 1 -14.744 -11.077 -3.366 6 H SER 2 H SER 2 -14.896 -8.490 -4.116 7 HA SER 2 HA SER 2 -16.786 -8.232 -6.297 8 1HB SER 2 2HB SER 2 -14.526 -6.334 -5.712 9 2HB SER 2 1HB SER 2 -16.087 -5.992 -6.457 10 HG SER 2 HG SER 2 -16.653 -6.968 -4.097 11 H LEU 3 H LEU 3 -15.679 -7.197 -8.363 12 HA LEU 3 HA LEU 3 -14.400 -9.344 -9.622 13 1HB LEU 3 2HB LEU 3 -15.277 -6.646 -10.350 14 2HB LEU 3 1HB LEU 3 -13.916 -7.228 -11.293 15 HG LEU 3 HG LEU 3 -15.842 -9.314 -11.175 16 1HD1 LEU 3 1HD1 LEU 3 -17.362 -7.464 -12.647 17 2HD1 LEU 3 2HD1 LEU 3 -17.817 -8.314 -11.169 18 3HD1 LEU 3 3HD1 LEU 3 -17.047 -6.728 -11.074 19 1HD2 LEU 3 1HD2 LEU 3 -15.605 -7.725 -13.635 20 2HD2 LEU 3 2HD2 LEU 3 -14.079 -8.298 -12.958 21 3HD2 LEU 3 3HD2 LEU 3 -15.351 -9.451 -13.365 22 H LEU 4 H LEU 4 -13.043 -6.586 -7.991 23 HA LEU 4 HA LEU 4 -10.531 -6.594 -9.281 24 1HB LEU 4 2HB LEU 4 -10.877 -5.766 -6.428 25 2HB LEU 4 1HB LEU 4 -9.778 -5.121 -7.631 26 HG LEU 4 HG LEU 4 -12.675 -4.787 -8.168 27 1HD1 LEU 4 1HD1 LEU 4 -13.114 -3.840 -6.203 28 2HD1 LEU 4 2HD1 LEU 4 -11.419 -3.884 -5.718 29 3HD1 LEU 4 3HD1 LEU 4 -12.024 -2.542 -6.688 30 1HD2 LEU 4 1HD2 LEU 4 -11.153 -2.423 -8.436 31 2HD2 LEU 4 2HD2 LEU 4 -10.166 -3.749 -9.051 32 3HD2 LEU 4 3HD2 LEU 4 -11.778 -3.473 -9.713 33 H THR 5 H THR 5 -8.538 -7.341 -8.545 34 HA THR 5 HA THR 5 -8.613 -9.485 -6.546 35 HB THR 5 HB THR 5 -6.653 -10.312 -8.308 36 HG1 THR 5 1HG THR 5 -8.861 -10.025 -9.995 37 1HG2 THR 5 1HG2 THR 5 -9.177 -11.196 -7.284 38 2HG2 THR 5 2HG2 THR 5 -7.782 -12.154 -7.784 39 3HG2 THR 5 3HG2 THR 5 -9.010 -11.699 -8.967 40 H CYS 6 H CYS 6 -6.980 -9.440 -5.140 41 HA CYS 6 HA CYS 6 -5.060 -7.275 -5.392 42 1HB CYS 6 2HB CYS 6 -5.735 -7.024 -3.268 43 2HB CYS 6 1HB CYS 6 -6.468 -8.623 -3.232 44 H GLY 7 H GLY 7 -2.832 -7.585 -5.145 45 1HA GLY 7 1HA GLY 7 -1.936 -10.154 -6.165 46 2HA GLY 7 2HA GLY 7 -0.968 -8.695 -6.020 47 H GLY 8 H GLY 8 -2.431 -8.963 -3.126 48 1HA GLY 8 1HA GLY 8 -0.014 -10.071 -1.930 49 2HA GLY 8 2HA GLY 8 -1.321 -9.254 -1.085 50 H CYS 9 H CYS 9 -3.177 -11.124 -2.701 51 HA CYS 9 HA CYS 9 -2.628 -13.652 -1.343 52 1HB CYS 9 2HB CYS 9 -4.880 -13.777 -0.396 53 2HB CYS 9 1HB CYS 9 -4.025 -12.369 0.228 54 H GLN 10 H GLN 10 -4.604 -11.809 -3.577 55 HA GLN 10 HA GLN 10 -5.514 -12.275 -5.589 56 1HB GLN 10 2HB GLN 10 -3.465 -14.299 -5.339 57 2HB GLN 10 1HB GLN 10 -4.855 -14.915 -6.221 58 1HG GLN 10 2HG GLN 10 -3.482 -12.328 -6.892 59 2HG GLN 10 1HG GLN 10 -3.051 -13.877 -7.618 60 1HE2 GLN 10 1HE2 GLN 10 -5.813 -14.827 -7.659 61 2HE2 GLN 10 2HE2 GLN 10 -6.590 -13.966 -8.951 62 H GLN 11 H GLN 11 -6.721 -13.020 -2.968 63 HA GLN 11 HA GLN 11 -8.465 -15.230 -3.749 64 1HB GLN 11 2HB GLN 11 -9.176 -15.309 -1.486 65 2HB GLN 11 1HB GLN 11 -7.438 -15.070 -1.444 66 1HG GLN 11 2HG GLN 11 -7.700 -13.274 -0.186 67 2HG GLN 11 1HG GLN 11 -8.683 -12.521 -1.441 68 1HE2 GLN 11 1HE2 GLN 11 -10.655 -11.989 -0.884 69 2HE2 GLN 11 2HE2 GLN 11 -11.567 -12.677 0.418 70 H ASN 12 H ASN 12 -8.432 -12.295 -4.725 71 HA ASN 12 HA ASN 12 -9.962 -10.885 -5.640 72 1HB ASN 12 2HB ASN 12 -11.759 -13.080 -4.749 73 2HB ASN 12 1HB ASN 12 -12.502 -11.509 -5.021 74 1HD2 ASN 12 1HD2 ASN 12 -13.082 -11.005 -7.025 75 2HD2 ASN 12 2HD2 ASN 12 -12.569 -11.848 -8.453 76 H ILE 13 H ILE 13 -10.668 -8.928 -4.957 77 HA ILE 13 HA ILE 13 -10.584 -8.472 -2.096 78 HB ILE 13 HB ILE 13 -10.994 -6.420 -4.254 79 1HG1 ILE 13 2HG1 ILE 13 -8.343 -6.925 -2.980 80 2HG1 ILE 13 1HG1 ILE 13 -8.865 -7.980 -4.285 81 1HG2 ILE 13 1HG2 ILE 13 -11.128 -6.222 -1.485 82 2HG2 ILE 13 2HG2 ILE 13 -9.527 -5.604 -1.901 83 3HG2 ILE 13 3HG2 ILE 13 -10.968 -4.893 -2.632 84 1HD1 ILE 13 1HD1 ILE 13 -9.022 -5.049 -4.705 85 2HD1 ILE 13 2HD1 ILE 13 -7.438 -5.829 -4.748 86 3HD1 ILE 13 3HD1 ILE 13 -8.710 -6.349 -5.858 87 H GLY 14 H GLY 14 -12.376 -8.871 -0.993 88 1HA GLY 14 1HA GLY 14 -14.942 -7.907 -2.113 89 2HA GLY 14 2HA GLY 14 -14.794 -9.324 -1.077 90 H ASP 15 H ASP 15 -12.723 -6.849 -0.204 91 HA ASP 15 HA ASP 15 -14.026 -6.436 2.298 92 1HB ASP 15 2HB ASP 15 -11.519 -5.490 1.016 93 2HB ASP 15 1HB ASP 15 -12.183 -4.481 2.291 94 H ARG 16 H ARG 16 -13.773 -3.889 2.958 95 HA ARG 16 HA ARG 16 -15.735 -2.527 1.262 96 1HB ARG 16 2HB ARG 16 -15.815 -0.915 3.258 97 2HB ARG 16 1HB ARG 16 -16.511 -2.514 3.478 98 1HG ARG 16 2HG ARG 16 -15.323 -2.416 5.394 99 2HG ARG 16 1HG ARG 16 -14.039 -3.015 4.341 100 1HD ARG 16 2HD ARG 16 -12.919 -1.046 4.351 101 2HD ARG 16 1HD ARG 16 -14.388 -0.082 4.469 102 HE ARG 16 HE ARG 16 -14.404 -0.869 6.887 103 1HH1 ARG 16 2HH1 ARG 16 -11.458 -0.516 5.039 104 2HH1 ARG 16 1HH1 ARG 16 -10.483 -0.104 6.409 105 1HH2 ARG 16 2HH2 ARG 16 -13.144 -0.336 8.700 106 2HH2 ARG 16 1HH2 ARG 16 -11.442 0.003 8.505 107 H TYR 17 H TYR 17 -12.432 -2.492 2.225 108 HA TYR 17 HA TYR 17 -11.990 -0.057 0.648 109 1HB TYR 17 2HB TYR 17 -11.935 0.008 3.392 110 2HB TYR 17 1HB TYR 17 -10.253 -0.326 3.006 111 HD1 TYR 17 1HD TYR 17 -8.855 1.474 2.686 112 HD2 TYR 17 2HD TYR 17 -13.014 1.946 1.942 113 HE1 TYR 17 1HE TYR 17 -8.505 3.868 2.258 114 HE2 TYR 17 2HE TYR 17 -12.670 4.338 1.505 115 HH TYR 17 HH TYR 17 -10.894 6.100 2.283 116 H PHE 18 H PHE 18 -9.851 0.070 -0.253 117 HA PHE 18 HA PHE 18 -8.027 -2.100 0.210 118 1HB PHE 18 2HB PHE 18 -8.075 -3.142 -1.900 119 2HB PHE 18 1HB PHE 18 -9.752 -3.016 -1.416 120 HD1 PHE 18 1HD PHE 18 -10.686 -0.465 -2.208 121 HD2 PHE 18 2HD PHE 18 -7.802 -2.931 -4.143 122 HE1 PHE 18 1HE PHE 18 -11.219 0.600 -4.358 123 HE2 PHE 18 2HE PHE 18 -8.329 -1.861 -6.296 124 HZ PHE 18 HZ PHE 18 -10.040 -0.093 -6.404 125 H LEU 19 H LEU 19 -6.240 -1.986 -1.541 126 HA LEU 19 HA LEU 19 -5.569 0.833 -2.047 127 1HB LEU 19 2HB LEU 19 -3.887 -1.448 -1.022 128 2HB LEU 19 1HB LEU 19 -3.167 -0.056 -1.792 129 HG LEU 19 HG LEU 19 -4.982 0.297 0.566 130 1HD1 LEU 19 1HD1 LEU 19 -2.161 0.304 1.225 131 2HD1 LEU 19 2HD1 LEU 19 -3.510 -0.489 2.037 132 3HD1 LEU 19 3HD1 LEU 19 -2.712 -1.280 0.677 133 1HD2 LEU 19 1HD2 LEU 19 -4.233 2.416 0.579 134 2HD2 LEU 19 2HD2 LEU 19 -2.583 1.945 0.168 135 3HD2 LEU 19 3HD2 LEU 19 -3.803 2.081 -1.100 136 H LYS 20 H LYS 20 -4.382 1.173 -4.022 137 HA LYS 20 HA LYS 20 -3.605 -1.047 -5.628 138 1HB LYS 20 2HB LYS 20 -5.473 -1.401 -6.798 139 2HB LYS 20 1HB LYS 20 -6.298 -0.114 -5.937 140 1HG LYS 20 2HG LYS 20 -4.534 0.792 -8.091 141 2HG LYS 20 1HG LYS 20 -5.885 -0.204 -8.616 142 1HD LYS 20 2HD LYS 20 -6.301 2.098 -6.739 143 2HD LYS 20 1HD LYS 20 -6.227 2.346 -8.484 144 1HE LYS 20 2HE LYS 20 -8.033 0.240 -7.387 145 2HE LYS 20 1HE LYS 20 -8.523 1.929 -7.285 146 1HZ LYS 20 1HZ LYS 20 -7.578 0.912 -9.870 147 2HZ LYS 20 2HZ LYS 20 -8.742 2.099 -9.532 148 3HZ LYS 20 3HZ LYS 20 -9.131 0.457 -9.349 149 H ALA 21 H ALA 21 -2.189 -0.390 -7.325 150 HA ALA 21 HA ALA 21 -1.959 2.273 -8.243 151 1HB ALA 21 1HB ALA 21 -0.942 1.968 -5.658 152 2HB ALA 21 2HB ALA 21 0.463 2.037 -6.723 153 3HB ALA 21 3HB ALA 21 -0.725 3.339 -6.746 154 H ILE 22 H ILE 22 0.431 -0.110 -7.167 155 HA ILE 22 HA ILE 22 2.426 0.148 -8.853 156 HB ILE 22 HB ILE 22 1.238 -2.510 -8.058 157 1HG1 ILE 22 2HG1 ILE 22 3.232 -0.662 -6.753 158 2HG1 ILE 22 1HG1 ILE 22 1.685 -1.201 -6.117 159 1HG2 ILE 22 1HG2 ILE 22 4.106 -2.502 -8.351 160 2HG2 ILE 22 2HG2 ILE 22 2.896 -3.593 -9.043 161 3HG2 ILE 22 3HG2 ILE 22 3.301 -2.083 -9.866 162 1HD1 ILE 22 1HD1 ILE 22 4.282 -2.379 -5.847 163 2HD1 ILE 22 2HD1 ILE 22 2.776 -2.777 -5.019 164 3HD1 ILE 22 3HD1 ILE 22 3.155 -3.530 -6.568 165 H ASP 23 H ASP 23 -0.381 -1.826 -9.705 166 HA ASP 23 HA ASP 23 -0.607 -1.078 -12.353 167 1HB ASP 23 2HB ASP 23 1.630 -2.205 -12.615 168 2HB ASP 23 1HB ASP 23 0.873 -3.715 -12.117 169 H GLN 24 H GLN 24 -1.152 -2.992 -9.711 170 HA GLN 24 HA GLN 24 -3.520 -4.242 -10.902 171 1HB GLN 24 2HB GLN 24 -3.109 -6.222 -9.571 172 2HB GLN 24 1HB GLN 24 -1.674 -5.877 -10.520 173 1HG GLN 24 2HG GLN 24 -2.046 -5.234 -7.601 174 2HG GLN 24 1HG GLN 24 -1.131 -6.586 -8.250 175 1HE2 GLN 24 1HE2 GLN 24 0.913 -6.227 -9.095 176 2HE2 GLN 24 2HE2 GLN 24 1.735 -4.707 -8.936 177 H TYR 25 H TYR 25 -4.523 -5.317 -8.564 178 HA TYR 25 HA TYR 25 -4.968 -2.928 -6.914 179 1HB TYR 25 2HB TYR 25 -6.931 -5.204 -7.108 180 2HB TYR 25 1HB TYR 25 -7.208 -3.556 -6.544 181 HD1 TYR 25 1HD TYR 25 -8.015 -5.684 -9.077 182 HD2 TYR 25 2HD TYR 25 -6.428 -1.770 -8.531 183 HE1 TYR 25 1HE TYR 25 -8.787 -5.062 -11.329 184 HE2 TYR 25 2HE TYR 25 -7.201 -1.142 -10.780 185 HH TYR 25 HH TYR 25 -8.075 -3.319 -13.107 186 H TRP 26 H TRP 26 -5.381 -3.394 -4.633 187 HA TRP 26 HA TRP 26 -4.093 -5.869 -3.730 188 1HB TRP 26 2HB TRP 26 -3.478 -3.067 -2.758 189 2HB TRP 26 1HB TRP 26 -2.848 -4.542 -2.038 190 HD1 TRP 26 HD TRP 26 -2.338 -2.188 -4.973 191 HE1 TRP 26 1HE TRP 26 -0.184 -2.836 -6.203 192 HE3 TRP 26 3HE TRP 26 -1.319 -6.584 -2.568 193 HZ2 TRP 26 2HZ TRP 26 1.707 -4.925 -6.161 194 HZ3 TRP 26 3HZ TRP 26 0.689 -7.842 -3.224 195 HH2 TRP 26 HH TRP 26 2.172 -7.024 -4.982 196 H HIS 27 H HIS 27 -4.048 -5.249 -1.083 197 HA HIS 27 HA HIS 27 -6.875 -4.864 -0.349 198 1HB HIS 27 2HB HIS 27 -5.044 -7.090 0.299 199 2HB HIS 27 1HB HIS 27 -5.891 -6.420 1.687 200 HD2 HIS 27 2HD HIS 27 -8.856 -6.113 0.730 201 HE1 HIS 27 1HE HIS 27 -8.479 -10.056 -0.774 202 HE2 HIS 27 2HE HIS 27 -10.091 -8.338 0.174 203 H GLU 28 H GLU 28 -6.691 -4.693 2.328 204 HA GLU 28 HA GLU 28 -5.242 -2.234 2.734 205 1HB GLU 28 2HB GLU 28 -7.334 -3.776 4.110 206 2HB GLU 28 1HB GLU 28 -6.217 -2.963 5.189 207 1HG GLU 28 2HG GLU 28 -6.715 -0.831 4.109 208 2HG GLU 28 1HG GLU 28 -7.825 -1.651 3.010 209 H ASP 29 H ASP 29 -5.194 -5.520 4.092 210 HA ASP 29 HA ASP 29 -2.701 -4.867 5.490 211 1HB ASP 29 2HB ASP 29 -4.773 -5.677 6.727 212 2HB ASP 29 1HB ASP 29 -4.494 -7.245 5.978 213 H CYS 30 H CYS 30 -3.487 -6.238 2.686 214 HA CYS 30 HA CYS 30 -1.944 -8.649 2.842 215 1HB CYS 30 2HB CYS 30 -3.550 -7.259 0.789 216 2HB CYS 30 1HB CYS 30 -2.262 -8.302 0.200 217 H LEU 31 H LEU 31 -1.492 -5.480 1.343 218 HA LEU 31 HA LEU 31 0.849 -5.961 -0.039 219 1HB LEU 31 2HB LEU 31 -0.688 -3.685 0.725 220 2HB LEU 31 1HB LEU 31 1.001 -3.332 1.036 221 HG LEU 31 HG LEU 31 0.040 -4.376 -1.621 222 1HD1 LEU 31 1HD1 LEU 31 -0.042 -2.132 -2.439 223 2HD1 LEU 31 2HD1 LEU 31 -1.104 -2.251 -1.036 224 3HD1 LEU 31 3HD1 LEU 31 0.482 -1.494 -0.880 225 1HD2 LEU 31 1HD2 LEU 31 2.442 -4.594 -1.099 226 2HD2 LEU 31 2HD2 LEU 31 2.131 -3.490 -2.438 227 3HD2 LEU 31 3HD2 LEU 31 2.520 -2.851 -0.842 228 H SER 32 H SER 32 2.633 -6.854 0.733 229 HA SER 32 HA SER 32 3.739 -5.814 3.261 230 1HB SER 32 2HB SER 32 4.162 -8.662 2.393 231 2HB SER 32 1HB SER 32 4.311 -7.963 4.006 232 HG SER 32 HG SER 32 1.818 -7.967 2.687 233 H CYS 33 H CYS 33 6.077 -6.193 3.478 234 HA CYS 33 HA CYS 33 7.498 -5.237 1.238 235 1HB CYS 33 2HB CYS 33 7.957 -5.161 3.850 236 2HB CYS 33 1HB CYS 33 8.905 -6.594 3.483 237 H ASP 34 H ASP 34 9.403 -6.224 0.370 238 HA ASP 34 HA ASP 34 9.120 -9.100 -0.147 239 1HB ASP 34 2HB ASP 34 9.756 -7.075 -1.855 240 2HB ASP 34 1HB ASP 34 11.361 -7.594 -1.361 241 H LEU 35 H LEU 35 10.977 -6.696 1.489 242 HA LEU 35 HA LEU 35 13.083 -8.608 2.150 243 1HB LEU 35 2HB LEU 35 13.649 -6.338 1.300 244 2HB LEU 35 1HB LEU 35 12.952 -5.661 2.759 245 HG LEU 35 HG LEU 35 14.644 -6.660 4.126 246 1HD1 LEU 35 1HD1 LEU 35 15.480 -8.076 1.602 247 2HD1 LEU 35 2HD1 LEU 35 16.516 -7.951 3.025 248 3HD1 LEU 35 3HD1 LEU 35 14.967 -8.788 3.133 249 1HD2 LEU 35 1HD2 LEU 35 15.110 -4.651 2.375 250 2HD2 LEU 35 2HD2 LEU 35 16.260 -5.183 3.604 251 3HD2 LEU 35 3HD2 LEU 35 16.407 -5.768 1.946 252 H CYS 36 H CYS 36 11.084 -6.209 3.942 253 HA CYS 36 HA CYS 36 11.781 -7.049 6.498 254 1HB CYS 36 2HB CYS 36 9.169 -5.860 5.540 255 2HB CYS 36 1HB CYS 36 9.572 -6.090 7.234 256 H GLY 37 H GLY 37 9.031 -8.067 4.519 257 1HA GLY 37 1HA GLY 37 8.204 -10.266 4.371 258 2HA GLY 37 2HA GLY 37 9.074 -10.666 5.848 259 H CYS 38 H CYS 38 8.068 -8.378 7.321 260 HA CYS 38 HA CYS 38 5.692 -9.551 8.337 261 1HB CYS 38 2HB CYS 38 6.349 -6.736 9.013 262 2HB CYS 38 1HB CYS 38 5.914 -8.073 10.069 263 HG CYS 38 HG CYS 38 8.579 -9.264 9.482 264 H ARG 39 H ARG 39 6.076 -6.182 7.285 265 HA ARG 39 HA ARG 39 3.951 -6.369 5.362 266 1HB ARG 39 2HB ARG 39 3.105 -5.914 7.943 267 2HB ARG 39 1HB ARG 39 3.270 -4.280 7.313 268 1HG ARG 39 2HG ARG 39 1.021 -5.017 6.972 269 2HG ARG 39 1HG ARG 39 1.823 -4.924 5.403 270 1HD ARG 39 2HD ARG 39 1.127 -7.010 5.050 271 2HD ARG 39 1HD ARG 39 2.307 -7.512 6.259 272 HE ARG 39 HE ARG 39 -0.574 -7.230 6.626 273 1HH1 ARG 39 2HH1 ARG 39 2.555 -8.001 7.983 274 2HH1 ARG 39 1HH1 ARG 39 1.907 -8.635 9.465 275 1HH2 ARG 39 2HH2 ARG 39 -1.451 -8.119 8.529 276 2HH2 ARG 39 1HH2 ARG 39 -0.383 -8.755 9.758 277 H LEU 40 H LEU 40 3.436 -3.410 5.781 278 HA LEU 40 HA LEU 40 5.923 -2.474 4.538 279 1HB LEU 40 2HB LEU 40 3.224 -1.124 4.687 280 2HB LEU 40 1HB LEU 40 4.624 -0.527 3.816 281 HG LEU 40 HG LEU 40 3.246 -3.132 3.175 282 1HD1 LEU 40 1HD1 LEU 40 1.680 -1.344 2.806 283 2HD1 LEU 40 2HD1 LEU 40 2.899 -0.409 1.938 284 3HD1 LEU 40 3HD1 LEU 40 2.292 -1.915 1.253 285 1HD2 LEU 40 1HD2 LEU 40 4.449 -2.663 0.963 286 2HD2 LEU 40 2HD2 LEU 40 5.432 -1.533 1.894 287 3HD2 LEU 40 3HD2 LEU 40 5.411 -3.245 2.323 288 H GLY 41 H GLY 41 7.334 -1.660 5.922 289 1HA GLY 41 1HA GLY 41 6.421 -0.733 8.521 290 2HA GLY 41 2HA GLY 41 8.090 -0.997 8.029 291 H GLU 42 H GLU 42 8.186 0.612 5.756 292 HA GLU 42 HA GLU 42 7.958 3.261 7.016 293 1HB GLU 42 2HB GLU 42 9.769 2.263 4.819 294 2HB GLU 42 1HB GLU 42 9.685 3.943 5.333 295 1HG GLU 42 2HG GLU 42 10.361 1.680 7.191 296 2HG GLU 42 1HG GLU 42 11.570 2.594 6.292 297 H VAL 43 H VAL 43 6.080 1.533 5.252 298 HA VAL 43 HA VAL 43 5.347 3.718 3.421 299 HB VAL 43 HB VAL 43 4.907 0.743 3.047 300 1HG1 VAL 43 1HG1 VAL 43 3.275 2.826 2.171 301 2HG1 VAL 43 2HG1 VAL 43 4.246 2.379 0.765 302 3HG1 VAL 43 3HG1 VAL 43 3.278 1.158 1.593 303 1HG2 VAL 43 1HG2 VAL 43 6.292 2.444 1.046 304 2HG2 VAL 43 2HG2 VAL 43 7.171 2.015 2.515 305 3HG2 VAL 43 3HG2 VAL 43 6.543 0.748 1.460 306 H GLY 44 H GLY 44 3.916 4.769 4.769 307 1HA GLY 44 1HA GLY 44 1.727 3.122 5.880 308 2HA GLY 44 2HA GLY 44 2.288 4.635 6.579 309 H ARG 45 H ARG 45 2.257 4.867 3.269 310 HA ARG 45 HA ARG 45 -0.392 5.081 2.554 311 1HB ARG 45 2HB ARG 45 -0.815 7.493 2.504 312 2HB ARG 45 1HB ARG 45 -0.606 6.917 4.147 313 1HG ARG 45 2HG ARG 45 1.432 7.984 4.401 314 2HG ARG 45 1HG ARG 45 1.700 8.102 2.662 315 1HD ARG 45 2HD ARG 45 0.482 9.990 4.440 316 2HD ARG 45 1HD ARG 45 0.907 10.178 2.742 317 HE ARG 45 HE ARG 45 -1.643 8.934 3.558 318 1HH1 ARG 45 2HH1 ARG 45 0.151 11.348 1.754 319 2HH1 ARG 45 1HH1 ARG 45 -1.254 11.946 0.920 320 1HH2 ARG 45 2HH2 ARG 45 -3.483 9.697 2.430 321 2HH2 ARG 45 1HH2 ARG 45 -3.313 10.993 1.283 322 H ARG 46 H ARG 46 2.879 6.277 2.157 323 HA ARG 46 HA ARG 46 2.397 6.462 -0.745 324 1HB ARG 46 2HB ARG 46 5.015 7.394 0.131 325 2HB ARG 46 1HB ARG 46 3.815 8.201 -0.866 326 1HG ARG 46 2HG ARG 46 2.639 8.952 1.120 327 2HG ARG 46 1HG ARG 46 3.798 8.098 2.141 328 1HD ARG 46 2HD ARG 46 5.009 9.928 0.199 329 2HD ARG 46 1HD ARG 46 3.988 10.716 1.400 330 HE ARG 46 HE ARG 46 5.682 8.921 2.719 331 1HH1 ARG 46 2HH1 ARG 46 5.879 11.897 0.889 332 2HH1 ARG 46 1HH1 ARG 46 7.306 12.459 1.714 333 1HH2 ARG 46 2HH2 ARG 46 7.537 9.660 3.831 334 2HH2 ARG 46 1HH2 ARG 46 8.218 11.214 3.418 335 H LEU 47 H LEU 47 3.136 4.854 -1.947 336 HA LEU 47 HA LEU 47 4.926 2.904 -0.718 337 1HB LEU 47 2HB LEU 47 2.660 2.642 -2.310 338 2HB LEU 47 1HB LEU 47 3.986 2.261 -3.391 339 HG LEU 47 HG LEU 47 3.282 0.869 -0.811 340 1HD1 LEU 47 1HD1 LEU 47 1.906 0.121 -2.583 341 2HD1 LEU 47 2HD1 LEU 47 3.265 0.062 -3.706 342 3HD1 LEU 47 3HD1 LEU 47 3.167 -1.097 -2.378 343 1HD2 LEU 47 1HD2 LEU 47 5.190 -0.623 -1.307 344 2HD2 LEU 47 2HD2 LEU 47 5.684 0.478 -2.592 345 3HD2 LEU 47 3HD2 LEU 47 5.690 1.024 -0.914 346 H TYR 48 H TYR 48 6.999 3.127 -1.072 347 HA TYR 48 HA TYR 48 7.905 4.065 -3.714 348 1HB TYR 48 2HB TYR 48 9.985 3.863 -1.680 349 2HB TYR 48 1HB TYR 48 9.562 5.229 -2.710 350 HD1 TYR 48 1HD TYR 48 9.241 3.734 0.569 351 HD2 TYR 48 2HD TYR 48 7.801 6.820 -1.981 352 HE1 TYR 48 1HE TYR 48 8.273 4.870 2.518 353 HE2 TYR 48 2HE TYR 48 6.826 7.974 -0.030 354 HH TYR 48 HH TYR 48 7.569 7.142 3.181 355 H TYR 49 H TYR 49 7.697 2.114 -4.701 356 HA TYR 49 HA TYR 49 9.114 -0.153 -3.506 357 1HB TYR 49 2HB TYR 49 7.587 -1.602 -4.636 358 2HB TYR 49 1HB TYR 49 6.628 -0.326 -3.886 359 HD1 TYR 49 1HD TYR 49 6.241 1.786 -5.540 360 HD2 TYR 49 2HD TYR 49 7.009 -2.215 -6.780 361 HE1 TYR 49 1HE TYR 49 5.194 2.259 -7.716 362 HE2 TYR 49 2HE TYR 49 5.978 -1.742 -8.952 363 HH TYR 49 HH TYR 49 5.324 -0.067 -10.346 364 H LYS 50 H LYS 50 10.141 -1.670 -4.957 365 HA LYS 50 HA LYS 50 11.565 -0.301 -7.104 366 1HB LYS 50 2HB LYS 50 12.017 -2.670 -5.436 367 2HB LYS 50 1HB LYS 50 12.390 -2.936 -7.131 368 1HG LYS 50 2HG LYS 50 13.489 -0.674 -5.479 369 2HG LYS 50 1HG LYS 50 14.327 -2.197 -5.777 370 1HD LYS 50 2HD LYS 50 14.774 -1.681 -7.956 371 2HD LYS 50 1HD LYS 50 13.326 -0.685 -8.129 372 1HE LYS 50 2HE LYS 50 14.430 1.176 -7.594 373 2HE LYS 50 1HE LYS 50 15.186 0.415 -6.195 374 1HZ LYS 50 1HZ LYS 50 16.882 1.088 -7.722 375 2HZ LYS 50 2HZ LYS 50 16.122 0.300 -9.013 376 3HZ LYS 50 3HZ LYS 50 16.804 -0.609 -7.753 377 H LEU 51 H LEU 51 11.493 -1.015 -9.255 378 HA LEU 51 HA LEU 51 9.205 -1.184 -10.491 379 1HB LEU 51 2HB LEU 51 10.559 -3.026 -12.071 380 2HB LEU 51 1HB LEU 51 10.511 -1.294 -12.266 381 HG LEU 51 HG LEU 51 12.775 -2.234 -12.418 382 1HD1 LEU 51 1HD1 LEU 51 13.620 -0.339 -11.675 383 2HD1 LEU 51 2HD1 LEU 51 11.995 0.047 -11.108 384 3HD1 LEU 51 3HD1 LEU 51 13.163 -0.687 -10.009 385 1HD2 LEU 51 1HD2 LEU 51 12.222 -3.148 -9.621 386 2HD2 LEU 51 2HD2 LEU 51 12.842 -4.068 -10.993 387 3HD2 LEU 51 3HD2 LEU 51 13.865 -2.871 -10.199 388 H GLY 52 H GLY 52 10.786 -4.232 -9.500 389 1HA GLY 52 1HA GLY 52 8.122 -5.488 -9.715 390 2HA GLY 52 2HA GLY 52 9.613 -6.335 -10.091 391 H ARG 53 H ARG 53 9.624 -4.196 -7.387 392 HA ARG 53 HA ARG 53 9.138 -6.410 -5.527 393 1HB ARG 53 2HB ARG 53 11.419 -4.572 -4.922 394 2HB ARG 53 1HB ARG 53 11.122 -6.204 -4.347 395 1HG ARG 53 2HG ARG 53 11.538 -6.833 -6.853 396 2HG ARG 53 1HG ARG 53 12.379 -5.282 -6.878 397 1HD ARG 53 2HD ARG 53 14.119 -6.108 -5.750 398 2HD ARG 53 1HD ARG 53 13.070 -6.852 -4.543 399 HE ARG 53 HE ARG 53 12.985 -8.343 -6.942 400 1HH1 ARG 53 2HH1 ARG 53 15.098 -7.654 -4.231 401 2HH1 ARG 53 1HH1 ARG 53 15.929 -9.174 -4.320 402 1HH2 ARG 53 2HH2 ARG 53 14.085 -10.342 -7.072 403 2HH2 ARG 53 1HH2 ARG 53 15.359 -10.703 -5.946 404 H LYS 54 H LYS 54 7.445 -5.692 -4.384 405 HA LYS 54 HA LYS 54 7.184 -2.854 -3.771 406 1HB LYS 54 2HB LYS 54 5.176 -4.043 -2.358 407 2HB LYS 54 1HB LYS 54 5.029 -3.484 -4.017 408 1HG LYS 54 2HG LYS 54 4.651 -5.541 -4.741 409 2HG LYS 54 1HG LYS 54 6.111 -6.145 -3.952 410 1HD LYS 54 2HD LYS 54 4.378 -5.747 -1.849 411 2HD LYS 54 1HD LYS 54 3.321 -6.343 -3.130 412 1HE LYS 54 2HE LYS 54 4.079 -8.251 -1.955 413 2HE LYS 54 1HE LYS 54 4.986 -8.209 -3.470 414 1HZ LYS 54 1HZ LYS 54 6.031 -7.109 -0.921 415 2HZ LYS 54 2HZ LYS 54 6.886 -7.397 -2.355 416 3HZ LYS 54 3HZ LYS 54 6.324 -8.700 -1.433 417 H LEU 55 H LEU 55 8.443 -2.115 -2.212 418 HA LEU 55 HA LEU 55 8.442 -3.462 0.381 419 1HB LEU 55 2HB LEU 55 10.763 -3.702 0.536 420 2HB LEU 55 1HB LEU 55 10.346 -4.310 -1.048 421 HG LEU 55 HG LEU 55 11.810 -1.774 -0.348 422 1HD1 LEU 55 1HD1 LEU 55 12.499 -3.967 -2.291 423 2HD1 LEU 55 2HD1 LEU 55 13.557 -2.711 -1.648 424 3HD1 LEU 55 3HD1 LEU 55 12.970 -3.996 -0.592 425 1HD2 LEU 55 1HD2 LEU 55 10.945 -2.489 -3.142 426 2HD2 LEU 55 2HD2 LEU 55 10.035 -1.370 -2.127 427 3HD2 LEU 55 3HD2 LEU 55 11.700 -0.999 -2.576 428 H CYS 56 H CYS 56 9.901 -2.050 1.973 429 HA CYS 56 HA CYS 56 8.716 0.574 1.924 430 1HB CYS 56 2HB CYS 56 10.813 -0.208 3.927 431 2HB CYS 56 1HB CYS 56 9.420 0.852 4.132 432 H ARG 57 H ARG 57 10.150 2.476 2.558 433 HA ARG 57 HA ARG 57 11.893 3.087 0.469 434 1HB ARG 57 2HB ARG 57 10.690 4.717 1.962 435 2HB ARG 57 1HB ARG 57 11.895 4.379 3.197 436 1HG ARG 57 2HG ARG 57 13.039 6.079 2.339 437 2HG ARG 57 1HG ARG 57 13.420 5.005 0.991 438 1HD ARG 57 2HD ARG 57 12.139 6.152 -0.419 439 2HD ARG 57 1HD ARG 57 10.802 6.228 0.727 440 HE ARG 57 HE ARG 57 12.658 8.296 0.129 441 1HH1 ARG 57 2HH1 ARG 57 10.773 6.976 2.798 442 2HH1 ARG 57 1HH1 ARG 57 10.732 8.480 3.666 443 1HH2 ARG 57 2HH2 ARG 57 12.580 10.267 1.283 444 2HH2 ARG 57 1HH2 ARG 57 11.742 10.345 2.807 445 H ARG 58 H ARG 58 12.606 2.030 3.768 446 HA ARG 58 HA ARG 58 15.400 2.320 3.588 447 1HB ARG 58 2HB ARG 58 13.983 0.301 5.328 448 2HB ARG 58 1HB ARG 58 15.535 1.068 5.622 449 1HG ARG 58 2HG ARG 58 12.822 2.360 5.728 450 2HG ARG 58 1HG ARG 58 13.902 2.022 7.081 451 1HD ARG 58 2HD ARG 58 15.565 3.508 5.684 452 2HD ARG 58 1HD ARG 58 14.069 4.130 4.987 453 HE ARG 58 HE ARG 58 13.487 4.411 7.529 454 1HH1 ARG 58 2HH1 ARG 58 16.530 5.045 5.918 455 2HH1 ARG 58 1HH1 ARG 58 17.018 6.276 7.041 456 1HH2 ARG 58 2HH2 ARG 58 14.142 6.023 9.036 457 2HH2 ARG 58 1HH2 ARG 58 15.682 6.811 8.824 458 H ASP 59 H ASP 59 13.296 -0.478 3.039 459 HA ASP 59 HA ASP 59 15.424 -2.266 2.444 460 1HB ASP 59 2HB ASP 59 12.575 -2.529 1.480 461 2HB ASP 59 1HB ASP 59 13.742 -3.819 1.765 462 H TYR 60 H TYR 60 13.538 0.005 0.594 463 HA TYR 60 HA TYR 60 14.322 -0.899 -1.980 464 1HB TYR 60 2HB TYR 60 12.559 0.505 -2.262 465 2HB TYR 60 1HB TYR 60 12.926 1.418 -0.805 466 HD1 TYR 60 1HD TYR 60 13.809 1.016 -4.369 467 HD2 TYR 60 2HD TYR 60 14.008 3.507 -0.924 468 HE1 TYR 60 1HE TYR 60 14.635 2.866 -5.763 469 HE2 TYR 60 2HE TYR 60 14.836 5.367 -2.312 470 HH TYR 60 HH TYR 60 14.830 5.224 -5.771 471 H LEU 61 H LEU 61 15.629 1.387 0.366 472 HA LEU 61 HA LEU 61 17.826 2.189 -1.307 473 1HB LEU 61 2HB LEU 61 16.580 3.237 0.885 474 2HB LEU 61 1HB LEU 61 18.063 2.610 1.584 475 HG LEU 61 HG LEU 61 19.218 3.910 -0.363 476 1HD1 LEU 61 1HD1 LEU 61 17.283 4.516 -1.621 477 2HD1 LEU 61 2HD1 LEU 61 16.521 5.234 -0.202 478 3HD1 LEU 61 3HD1 LEU 61 17.949 5.986 -0.911 479 1HD2 LEU 61 1HD2 LEU 61 19.324 5.906 1.060 480 2HD2 LEU 61 2HD2 LEU 61 17.964 5.297 2.002 481 3HD2 LEU 61 3HD2 LEU 61 19.494 4.422 1.995 482 H ARG 62 H ARG 62 17.211 -0.660 0.196 483 HA ARG 62 HA ARG 62 19.906 -1.136 1.178 484 1HB ARG 62 2HB ARG 62 17.369 -2.250 1.713 485 2HB ARG 62 1HB ARG 62 18.333 -3.530 0.987 486 1HG ARG 62 2HG ARG 62 18.749 -3.762 3.254 487 2HG ARG 62 1HG ARG 62 20.141 -2.843 2.677 488 1HD ARG 62 2HD ARG 62 17.718 -1.435 3.715 489 2HD ARG 62 1HD ARG 62 18.915 -2.081 4.835 490 HE ARG 62 HE ARG 62 20.409 -0.630 3.097 491 1HH1 ARG 62 2HH1 ARG 62 17.599 0.070 5.068 492 2HH1 ARG 62 1HH1 ARG 62 17.947 1.774 5.185 493 1HH2 ARG 62 2HH2 ARG 62 20.890 1.612 3.263 494 2HH2 ARG 62 1HH2 ARG 62 19.829 2.645 4.179 495 H LEU 63 H LEU 63 18.061 -1.549 -1.675 496 HA LEU 63 HA LEU 63 20.213 -3.194 -2.834 497 1HB LEU 63 2HB LEU 63 18.152 -3.530 -4.581 498 2HB LEU 63 1HB LEU 63 18.596 -4.657 -3.316 499 HG LEU 63 HG LEU 63 16.873 -2.798 -2.100 500 1HD1 LEU 63 1HD1 LEU 63 14.953 -2.682 -3.445 501 2HD1 LEU 63 2HD1 LEU 63 16.289 -2.214 -4.498 502 3HD1 LEU 63 3HD1 LEU 63 15.601 -3.835 -4.613 503 1HD2 LEU 63 1HD2 LEU 63 17.225 -5.337 -1.839 504 2HD2 LEU 63 2HD2 LEU 63 15.608 -4.675 -1.589 505 3HD2 LEU 63 3HD2 LEU 63 16.008 -5.480 -3.109 506 H GLY 64 H GLY 64 17.743 -0.759 -3.627 507 1HA GLY 64 1HA GLY 64 19.473 0.210 -5.804 508 2HA GLY 64 2HA GLY 64 17.769 0.602 -5.601 509 H GLY 65 H GLY 65 20.243 0.631 -3.128 510 1HA GLY 65 1HA GLY 65 20.127 3.566 -3.011 511 2HA GLY 65 2HA GLY 65 19.720 2.619 -1.586 512 H SER 66 H SER 66 22.244 2.081 -3.997 513 HA SER 66 HA SER 66 24.127 1.265 -2.098 514 1HB SER 66 2HB SER 66 25.292 2.148 -4.611 515 2HB SER 66 1HB SER 66 25.192 0.527 -3.922 516 HG SER 66 HG SER 66 23.570 0.125 -5.186 517 H GLY 67 H GLY 67 23.342 3.809 -1.242 518 1HA GLY 67 1HA GLY 67 25.834 5.361 -1.576 519 2HA GLY 67 2HA GLY 67 24.283 6.084 -1.165 520 H GLY 68 H GLY 68 23.509 3.997 0.671 521 1HA GLY 68 1HA GLY 68 23.853 3.222 2.812 522 2HA GLY 68 2HA GLY 68 25.530 3.730 2.679 523 H HIS 69 H HIS 69 23.548 6.293 1.901 524 HA HIS 69 HA HIS 69 23.631 7.297 4.670 525 1HB HIS 69 2HB HIS 69 24.462 8.549 2.093 526 2HB HIS 69 1HB HIS 69 23.748 9.590 3.313 527 HD2 HIS 69 2HD HIS 69 25.287 7.951 5.843 528 HE1 HIS 69 1HE HIS 69 28.696 9.552 3.914 529 HE2 HIS 69 2HE HIS 69 27.766 8.677 6.105 530 H MET 70 H MET 70 22.289 9.727 4.074 531 HA MET 70 HA MET 70 19.601 8.933 4.309 532 1HB MET 70 2HB MET 70 20.989 11.546 3.840 533 2HB MET 70 1HB MET 70 19.238 11.461 3.711 534 1HG MET 70 2HG MET 70 19.961 10.158 6.104 535 2HG MET 70 1HG MET 70 20.859 11.673 6.037 536 1HE MET 70 1HE MET 70 20.134 13.723 6.623 537 2HE MET 70 2HE MET 70 18.527 14.200 7.175 538 3HE MET 70 3HE MET 70 19.470 13.036 8.106 539 H GLY 71 H GLY 71 21.422 10.275 1.572 540 1HA GLY 71 1HA GLY 71 20.934 9.305 -0.632 541 2HA GLY 71 2HA GLY 71 19.234 9.349 -0.188 542 H SER 72 H SER 72 20.828 12.059 0.948 543 HA SER 72 HA SER 72 19.441 13.802 -0.822 544 1HB SER 72 2HB SER 72 21.646 14.894 0.823 545 2HB SER 72 1HB SER 72 19.959 15.404 0.708 546 HG SER 72 HG SER 72 20.885 14.220 2.720 547 H GLY 73 H GLY 73 20.286 13.018 -2.829 548 1HA GLY 73 1HA GLY 73 23.016 13.046 -3.481 549 2HA GLY 73 2HA GLY 73 21.692 12.980 -4.630 550 H GLY 74 H GLY 74 23.856 14.221 -5.433 551 1HA GLY 74 1HA GLY 74 23.217 16.595 -6.483 552 2HA GLY 74 2HA GLY 74 23.718 17.071 -4.863 553 H ASP 75 H ASP 75 25.645 14.906 -4.675 554 HA ASP 75 HA ASP 75 27.903 16.163 -5.937 555 1HB ASP 75 2HB ASP 75 28.264 15.250 -3.761 556 2HB ASP 75 1HB ASP 75 27.560 13.704 -4.215 557 H VAL 76 H VAL 76 29.360 15.039 -7.389 558 HA VAL 76 HA VAL 76 28.134 13.984 -9.654 559 HB VAL 76 HB VAL 76 31.001 13.444 -8.887 560 1HG1 VAL 76 1HG1 VAL 76 30.173 14.141 -11.640 561 2HG1 VAL 76 2HG1 VAL 76 31.402 13.009 -11.076 562 3HG1 VAL 76 3HG1 VAL 76 29.698 12.553 -11.037 563 1HG2 VAL 76 1HG2 VAL 76 30.665 15.781 -10.528 564 2HG2 VAL 76 2HG2 VAL 76 29.785 15.959 -9.011 565 3HG2 VAL 76 3HG2 VAL 76 31.513 15.603 -8.990 566 H MET 77 H MET 77 27.093 12.149 -9.834 567 HA MET 77 HA MET 77 27.484 9.977 -8.018 568 1HB MET 77 2HB MET 77 25.873 9.715 -10.527 569 2HB MET 77 1HB MET 77 25.552 9.069 -8.923 570 1HG MET 77 2HG MET 77 24.576 10.982 -8.198 571 2HG MET 77 1HG MET 77 25.552 12.008 -9.233 572 1HE MET 77 1HE MET 77 22.377 13.250 -10.323 573 2HE MET 77 2HE MET 77 23.988 13.452 -9.633 574 3HE MET 77 3HE MET 77 23.784 13.359 -11.381 575 H VAL 78 H VAL 78 29.409 8.979 -8.247 576 HA VAL 78 HA VAL 78 30.510 8.342 -10.830 577 HB VAL 78 HB VAL 78 32.306 7.226 -9.561 578 1HG1 VAL 78 1HG1 VAL 78 33.195 9.258 -9.512 579 2HG1 VAL 78 2HG1 VAL 78 31.590 9.987 -9.459 580 3HG1 VAL 78 3HG1 VAL 78 32.410 9.548 -7.960 581 1HG2 VAL 78 1HG2 VAL 78 32.332 7.077 -7.201 582 2HG2 VAL 78 2HG2 VAL 78 30.898 8.092 -7.045 583 3HG2 VAL 78 3HG2 VAL 78 30.758 6.464 -7.705 584 H VAL 79 H VAL 79 28.028 7.047 -9.216 585 HA VAL 79 HA VAL 79 28.662 4.247 -9.555 586 HB VAL 79 HB VAL 79 25.965 4.357 -9.038 587 1HG1 VAL 79 1HG1 VAL 79 28.330 3.513 -7.774 588 2HG1 VAL 79 2HG1 VAL 79 27.405 4.406 -6.566 589 3HG1 VAL 79 3HG1 VAL 79 26.673 3.035 -7.401 590 1HG2 VAL 79 1HG2 VAL 79 25.596 6.560 -8.574 591 2HG2 VAL 79 2HG2 VAL 79 26.087 6.005 -6.972 592 3HG2 VAL 79 3HG2 VAL 79 27.248 6.832 -8.012 593 H GLY 80 H GLY 80 27.427 6.746 -11.467 594 1HA GLY 80 1HA GLY 80 26.823 6.623 -13.716 595 2HA GLY 80 2HA GLY 80 26.720 4.874 -13.570 596 H GLU 81 H GLU 81 24.943 4.417 -11.667 597 HA GLU 81 HA GLU 81 22.443 5.134 -12.859 598 1HB GLU 81 2HB GLU 81 22.847 3.833 -10.166 599 2HB GLU 81 1HB GLU 81 21.449 3.709 -11.223 600 1HG GLU 81 2HG GLU 81 23.954 2.793 -12.427 601 2HG GLU 81 1HG GLU 81 23.431 1.867 -11.020 602 HA PRO 82 HA PRO 82 21.516 8.969 -10.913 603 1HB PRO 82 2HB PRO 82 18.818 7.742 -10.558 604 2HB PRO 82 1HB PRO 82 19.250 9.317 -11.225 605 1HG PRO 82 2HG PRO 82 18.573 7.345 -12.850 606 2HG PRO 82 1HG PRO 82 19.938 8.402 -13.264 607 1HD PRO 82 2HD PRO 82 19.952 5.611 -12.197 608 2HD PRO 82 1HD PRO 82 21.036 6.374 -13.379 609 H THR 83 H THR 83 19.521 6.530 -9.340 610 HA THR 83 HA THR 83 19.113 5.980 -7.199 611 HB THR 83 HB THR 83 21.717 6.758 -6.109 612 HG1 THR 83 1HG THR 83 22.315 6.384 -8.322 613 1HG2 THR 83 1HG2 THR 83 19.972 4.350 -6.328 614 2HG2 THR 83 2HG2 THR 83 20.564 5.173 -4.882 615 3HG2 THR 83 3HG2 THR 83 21.656 4.162 -5.832 616 H LEU 84 H LEU 84 21.452 8.409 -6.197 617 HA LEU 84 HA LEU 84 19.444 9.622 -4.511 618 1HB LEU 84 2HB LEU 84 22.043 10.969 -4.754 619 2HB LEU 84 1HB LEU 84 21.156 10.488 -3.323 620 HG LEU 84 HG LEU 84 22.562 8.411 -4.965 621 1HD1 LEU 84 1HD1 LEU 84 23.860 10.622 -3.782 622 2HD1 LEU 84 2HD1 LEU 84 24.180 9.213 -2.769 623 3HD1 LEU 84 3HD1 LEU 84 24.582 9.173 -4.484 624 1HD2 LEU 84 1HD2 LEU 84 21.566 8.694 -2.160 625 2HD2 LEU 84 2HD2 LEU 84 21.264 7.409 -3.329 626 3HD2 LEU 84 3HD2 LEU 84 22.840 7.535 -2.544 627 H MET 85 H MET 85 17.995 10.733 -5.722 628 HA MET 85 HA MET 85 18.955 12.579 -7.768 629 1HB MET 85 2HB MET 85 16.832 10.894 -7.767 630 2HB MET 85 1HB MET 85 16.055 12.386 -7.251 631 1HG MET 85 2HG MET 85 17.801 12.897 -9.469 632 2HG MET 85 1HG MET 85 16.686 11.588 -9.857 633 1HE MET 85 1HE MET 85 14.341 11.825 -8.560 634 2HE MET 85 2HE MET 85 13.310 13.237 -8.787 635 3HE MET 85 3HE MET 85 13.747 12.232 -10.169 636 H GLY 86 H GLY 86 19.490 13.231 -5.052 637 1HA GLY 86 1HA GLY 86 19.501 15.103 -3.728 638 2HA GLY 86 2HA GLY 86 18.704 15.931 -5.058 639 H GLY 87 H GLY 87 18.116 13.822 -2.278 640 1HA GLY 87 1HA GLY 87 16.455 14.086 -0.670 641 2HA GLY 87 2HA GLY 87 15.714 15.327 -1.676 642 H GLU 88 H GLU 88 14.673 14.484 -3.731 643 HA GLU 88 HA GLU 88 12.998 12.247 -3.000 644 1HB GLU 88 2HB GLU 88 12.846 13.673 -5.631 645 2HB GLU 88 1HB GLU 88 11.552 12.948 -4.683 646 1HG GLU 88 2HG GLU 88 11.087 14.958 -3.913 647 2HG GLU 88 1HG GLU 88 12.618 14.935 -3.054 648 H PHE 89 H PHE 89 14.710 10.601 -3.101 649 HA PHE 89 HA PHE 89 16.020 9.956 -5.535 650 1HB PHE 89 2HB PHE 89 15.600 7.558 -4.050 651 2HB PHE 89 1HB PHE 89 17.083 8.471 -4.248 652 HD1 PHE 89 1HD PHE 89 17.341 10.530 -2.657 653 HD2 PHE 89 2HD PHE 89 14.747 7.237 -1.963 654 HE1 PHE 89 1HE PHE 89 17.346 11.040 -0.245 655 HE2 PHE 89 2HE PHE 89 14.743 7.737 0.445 656 HZ PHE 89 HZ PHE 89 16.046 9.637 1.308 657 H GLY 90 H GLY 90 13.914 7.682 -3.994 658 1HA GLY 90 1HA GLY 90 12.282 7.502 -6.445 659 2HA GLY 90 2HA GLY 90 12.930 6.060 -5.674 660 H ASP 91 H ASP 91 11.550 8.928 -4.150 661 HA ASP 91 HA ASP 91 9.524 7.198 -2.905 662 1HB ASP 91 2HB ASP 91 9.412 9.393 -1.372 663 2HB ASP 91 1HB ASP 91 10.553 8.096 -1.075 664 H GLU 92 H GLU 92 9.698 10.694 -3.319 665 HA GLU 92 HA GLU 92 6.939 10.975 -3.889 666 1HB GLU 92 2HB GLU 92 9.258 12.842 -4.385 667 2HB GLU 92 1HB GLU 92 7.570 13.296 -4.579 668 1HG GLU 92 2HG GLU 92 7.804 12.155 -2.025 669 2HG GLU 92 1HG GLU 92 9.172 13.248 -2.219 670 H ASP 93 H ASP 93 9.579 10.080 -5.819 671 HA ASP 93 HA ASP 93 8.165 10.673 -8.319 672 1HB ASP 93 2HB ASP 93 10.648 11.277 -7.935 673 2HB ASP 93 1HB ASP 93 10.954 9.552 -8.108 674 H GLU 94 H GLU 94 7.581 8.509 -6.304 675 HA GLU 94 HA GLU 94 7.903 6.190 -8.086 676 1HB GLU 94 2HB GLU 94 8.803 6.342 -5.551 677 2HB GLU 94 1HB GLU 94 7.174 5.757 -5.245 678 1HG GLU 94 2HG GLU 94 9.306 4.173 -5.745 679 2HG GLU 94 1HG GLU 94 7.627 3.710 -6.015 680 H ARG 95 H ARG 95 6.143 4.604 -7.977 681 HA ARG 95 HA ARG 95 3.580 5.922 -8.217 682 1HB ARG 95 2HB ARG 95 4.697 3.853 -9.547 683 2HB ARG 95 1HB ARG 95 3.745 2.971 -8.361 684 1HG ARG 95 2HG ARG 95 1.737 4.164 -9.101 685 2HG ARG 95 1HG ARG 95 2.703 5.014 -10.311 686 1HD ARG 95 2HD ARG 95 3.022 2.114 -10.359 687 2HD ARG 95 1HD ARG 95 1.380 2.652 -10.716 688 HE ARG 95 HE ARG 95 2.206 3.848 -12.590 689 1HH1 ARG 95 2HH1 ARG 95 4.622 1.837 -11.021 690 2HH1 ARG 95 1HH1 ARG 95 5.724 1.886 -12.370 691 1HH2 ARG 95 2HH2 ARG 95 3.634 3.894 -14.366 692 2HH2 ARG 95 1HH2 ARG 95 5.155 3.052 -14.281 693 H LEU 96 H LEU 96 2.968 6.519 -6.197 694 HA LEU 96 HA LEU 96 3.093 4.722 -3.961 695 1HB LEU 96 2HB LEU 96 1.406 7.167 -3.854 696 2HB LEU 96 1HB LEU 96 2.482 6.497 -2.645 697 HG LEU 96 HG LEU 96 3.526 7.802 -5.143 698 1HD1 LEU 96 1HD1 LEU 96 3.846 9.565 -3.002 699 2HD1 LEU 96 2HD1 LEU 96 2.808 9.765 -4.415 700 3HD1 LEU 96 3HD1 LEU 96 2.159 9.046 -2.943 701 1HD2 LEU 96 1HD2 LEU 96 5.369 8.255 -3.291 702 2HD2 LEU 96 2HD2 LEU 96 4.658 6.804 -2.588 703 3HD2 LEU 96 3HD2 LEU 96 5.324 6.757 -4.220 704 H ILE 97 H ILE 97 1.252 4.077 -2.690 705 HA ILE 97 HA ILE 97 -0.965 3.208 -4.327 706 HB ILE 97 HB ILE 97 -1.644 2.404 -1.831 707 1HG1 ILE 97 2HG1 ILE 97 1.219 1.744 -1.718 708 2HG1 ILE 97 1HG1 ILE 97 0.841 3.431 -1.402 709 1HG2 ILE 97 1HG2 ILE 97 -0.720 0.221 -2.447 710 2HG2 ILE 97 2HG2 ILE 97 -1.550 0.991 -3.798 711 3HG2 ILE 97 3HG2 ILE 97 0.212 0.985 -3.734 712 1HD1 ILE 97 1HD1 ILE 97 -0.414 2.922 0.488 713 2HD1 ILE 97 2HD1 ILE 97 -0.597 1.228 0.023 714 3HD1 ILE 97 3HD1 ILE 97 0.967 1.828 0.581 715 H THR 98 H THR 98 -3.157 3.589 -3.680 716 HA THR 98 HA THR 98 -3.521 5.937 -1.974 717 HB THR 98 HB THR 98 -3.757 6.387 -4.509 718 HG1 THR 98 1HG THR 98 -4.508 7.905 -3.071 719 1HG2 THR 98 1HG2 THR 98 -5.054 4.438 -5.100 720 2HG2 THR 98 2HG2 THR 98 -5.994 5.899 -5.418 721 3HG2 THR 98 3HG2 THR 98 -6.334 4.922 -3.987 722 H ARG 99 H ARG 99 -5.311 5.879 -0.667 723 HA ARG 99 HA ARG 99 -6.370 3.215 -0.194 724 1HB ARG 99 2HB ARG 99 -6.791 5.809 1.317 725 2HB ARG 99 1HB ARG 99 -7.360 4.231 1.837 726 1HG ARG 99 2HG ARG 99 -4.481 4.392 1.294 727 2HG ARG 99 1HG ARG 99 -5.050 5.379 2.640 728 1HD ARG 99 2HD ARG 99 -5.216 2.403 2.287 729 2HD ARG 99 1HD ARG 99 -4.474 3.316 3.597 730 HE ARG 99 HE ARG 99 -7.237 3.869 3.551 731 1HH1 ARG 99 2HH1 ARG 99 -4.976 1.321 4.375 732 2HH1 ARG 99 1HH1 ARG 99 -6.077 0.527 5.466 733 1HH2 ARG 99 2HH2 ARG 99 -8.691 2.810 4.976 734 2HH2 ARG 99 1HH2 ARG 99 -8.206 1.332 5.751 735 H LEU 100 H LEU 100 -8.022 2.658 -1.504 736 HA LEU 100 HA LEU 100 -10.104 4.680 -1.982 737 1HB LEU 100 2HB LEU 100 -8.709 3.510 -3.892 738 2HB LEU 100 1HB LEU 100 -9.911 2.250 -3.677 739 HG LEU 100 HG LEU 100 -11.577 4.302 -3.893 740 1HD1 LEU 100 1HD1 LEU 100 -9.181 5.595 -4.271 741 2HD1 LEU 100 2HD1 LEU 100 -9.746 5.329 -5.920 742 3HD1 LEU 100 3HD1 LEU 100 -10.766 6.194 -4.769 743 1HD2 LEU 100 1HD2 LEU 100 -10.385 3.472 -6.482 744 2HD2 LEU 100 2HD2 LEU 100 -10.980 2.197 -5.417 745 3HD2 LEU 100 3HD2 LEU 100 -12.070 3.477 -5.956 746 H GLU 101 H GLU 101 -12.235 3.745 -2.431 747 HA GLU 101 HA GLU 101 -12.876 1.735 -0.390 748 1HB GLU 101 2HB GLU 101 -14.975 3.221 -1.913 749 2HB GLU 101 1HB GLU 101 -15.026 2.588 -0.275 750 1HG GLU 101 2HG GLU 101 -13.046 4.501 -0.174 751 2HG GLU 101 1HG GLU 101 -14.262 5.203 -1.241 752 H ASN 102 H ASN 102 -13.816 -0.148 -0.887 753 HA ASN 102 HA ASN 102 -14.009 -0.909 -3.697 754 1HB ASN 102 2HB ASN 102 -13.117 -2.492 -1.921 755 2HB ASN 102 1HB ASN 102 -14.756 -2.561 -1.274 756 1HD2 ASN 102 1HD2 ASN 102 -14.634 -4.826 -1.702 757 2HD2 ASN 102 2HD2 ASN 102 -14.959 -5.421 -3.305 758 H THR 103 H THR 103 -15.898 -0.116 -0.898 759 HA THR 103 HA THR 103 -18.292 0.084 -2.588 760 HB THR 103 HB THR 103 -19.231 -0.107 0.005 761 HG1 THR 103 1HG THR 103 -18.092 -2.359 0.366 762 1HG2 THR 103 1HG2 THR 103 -20.518 -1.200 -1.491 763 2HG2 THR 103 2HG2 THR 103 -19.654 -2.586 -0.829 764 3HG2 THR 103 3HG2 THR 103 -19.138 -1.875 -2.359 765 H GLN 104 H GLN 104 -18.265 0.945 0.729 766 HA GLN 104 HA GLN 104 -17.296 3.567 0.657 767 1HB GLN 104 2HB GLN 104 -19.586 4.698 1.029 768 2HB GLN 104 1HB GLN 104 -19.115 4.338 -0.624 769 1HG GLN 104 2HG GLN 104 -20.486 2.283 -0.518 770 2HG GLN 104 1HG GLN 104 -21.025 2.768 1.087 771 1HE2 GLN 104 1HE2 GLN 104 -21.892 2.701 -2.028 772 2HE2 GLN 104 2HE2 GLN 104 -23.000 4.041 -2.070 773 H PHE 105 H PHE 105 -16.398 3.051 2.606 774 HA PHE 105 HA PHE 105 -18.180 2.813 4.906 775 1HB PHE 105 2HB PHE 105 -17.713 0.522 3.711 776 2HB PHE 105 1HB PHE 105 -16.172 0.628 4.548 777 HD1 PHE 105 1HD PHE 105 -19.583 1.598 5.672 778 HD2 PHE 105 2HD PHE 105 -16.233 -0.967 6.199 779 HE1 PHE 105 1HE PHE 105 -20.627 0.650 7.689 780 HE2 PHE 105 2HE PHE 105 -17.267 -1.908 8.221 781 HZ PHE 105 HZ PHE 105 -19.468 -1.102 8.965 782 H ASP 106 H ASP 106 -14.924 1.613 4.596 783 HA ASP 106 HA ASP 106 -13.234 1.741 6.149 784 1HB ASP 106 2HB ASP 106 -12.671 2.951 4.036 785 2HB ASP 106 1HB ASP 106 -13.095 4.444 4.841 786 H ALA 107 H ALA 107 -13.885 5.121 6.095 787 HA ALA 107 HA ALA 107 -14.868 5.229 8.795 788 1HB ALA 107 1HB ALA 107 -12.337 4.861 8.972 789 2HB ALA 107 2HB ALA 107 -12.186 6.516 8.381 790 3HB ALA 107 3HB ALA 107 -13.036 6.194 9.892 791 H ALA 108 H ALA 108 -15.695 6.112 6.211 792 HA ALA 108 HA ALA 108 -15.222 8.869 5.796 793 1HB ALA 108 1HB ALA 108 -17.836 7.978 4.891 794 2HB ALA 108 2HB ALA 108 -16.452 8.559 3.963 795 3HB ALA 108 3HB ALA 108 -16.545 6.863 4.439 796 H ASN 109 H ASN 109 -16.861 7.346 8.265 797 HA ASN 109 HA ASN 109 -19.024 9.083 8.748 798 1HB ASN 109 2HB ASN 109 -18.573 8.211 11.173 799 2HB ASN 109 1HB ASN 109 -19.183 7.116 9.945 800 1HD2 ASN 109 1HD2 ASN 109 -18.343 5.222 10.377 801 2HD2 ASN 109 2HD2 ASN 109 -16.661 4.884 10.685 802 H GLY 110 H GLY 110 -15.610 9.344 9.301 803 1HA GLY 110 1HA GLY 110 -15.336 11.979 9.571 804 2HA GLY 110 2HA GLY 110 -15.920 11.552 11.174 805 H ILE 111 H ILE 111 -14.481 8.894 10.867 806 HA ILE 111 HA ILE 111 -12.124 9.665 12.224 807 HB ILE 111 HB ILE 111 -12.608 6.971 10.963 808 1HG1 ILE 111 2HG1 ILE 111 -14.558 7.689 12.327 809 2HG1 ILE 111 1HG1 ILE 111 -13.725 6.291 13.001 810 1HG2 ILE 111 1HG2 ILE 111 -11.036 6.113 12.438 811 2HG2 ILE 111 2HG2 ILE 111 -10.337 7.663 11.970 812 3HG2 ILE 111 3HG2 ILE 111 -11.152 7.497 13.525 813 1HD1 ILE 111 1HD1 ILE 111 -12.484 8.351 14.279 814 2HD1 ILE 111 2HD1 ILE 111 -14.131 8.959 14.111 815 3HD1 ILE 111 3HD1 ILE 111 -13.837 7.418 14.922 816 H ASP 112 H ASP 112 -12.782 8.735 8.913 817 HA ASP 112 HA ASP 112 -10.458 10.076 7.960 818 1HB ASP 112 2HB ASP 112 -9.954 7.460 8.697 819 2HB ASP 112 1HB ASP 112 -10.272 7.329 6.968 820 H ASP 113 H ASP 113 -12.541 10.981 7.122 821 HA ASP 113 HA ASP 113 -13.842 9.513 4.998 822 1HB ASP 113 2HB ASP 113 -15.383 10.871 6.049 823 2HB ASP 113 1HB ASP 113 -14.216 12.154 6.338 824 H GLU 114 H GLU 114 -12.967 9.344 3.045 825 HA GLU 114 HA GLU 114 -11.732 11.665 1.794 826 1HB GLU 114 2HB GLU 114 -10.085 9.990 3.098 827 2HB GLU 114 1HB GLU 114 -10.195 9.139 1.563 828 1HG GLU 114 2HG GLU 114 -9.686 11.529 0.589 829 2HG GLU 114 1HG GLU 114 -9.000 11.783 2.191 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -14.295 -7.342 -17.356 2 2H GLY 1 2H GLY 1 -14.032 -8.800 -16.536 3 3H GLY 1 3H GLY 1 -12.714 -7.914 -17.136 4 1HA GLY 1 2HA GLY 1 -12.619 -7.291 -14.961 5 2HA GLY 1 1HA GLY 1 -13.675 -6.044 -15.614 6 H SER 2 H SER 2 -13.352 -8.559 -13.379 7 HA SER 2 HA SER 2 -16.224 -8.445 -12.757 8 1HB SER 2 2HB SER 2 -14.397 -10.612 -11.763 9 2HB SER 2 1HB SER 2 -16.148 -10.650 -11.975 10 HG SER 2 HG SER 2 -14.263 -10.477 -14.103 11 H LEU 3 H LEU 3 -14.812 -9.952 -10.221 12 HA LEU 3 HA LEU 3 -14.921 -7.625 -8.545 13 1HB LEU 3 2HB LEU 3 -13.948 -10.419 -7.954 14 2HB LEU 3 1HB LEU 3 -14.187 -9.161 -6.760 15 HG LEU 3 HG LEU 3 -16.460 -10.089 -8.484 16 1HD1 LEU 3 1HD1 LEU 3 -15.426 -11.351 -5.957 17 2HD1 LEU 3 2HD1 LEU 3 -17.050 -11.610 -6.590 18 3HD1 LEU 3 3HD1 LEU 3 -15.648 -12.110 -7.531 19 1HD2 LEU 3 1HD2 LEU 3 -16.123 -8.551 -5.946 20 2HD2 LEU 3 2HD2 LEU 3 -17.122 -8.193 -7.357 21 3HD2 LEU 3 3HD2 LEU 3 -17.610 -9.458 -6.229 22 H LEU 4 H LEU 4 -12.987 -7.406 -6.918 23 HA LEU 4 HA LEU 4 -10.680 -6.806 -8.586 24 1HB LEU 4 2HB LEU 4 -10.865 -6.266 -5.647 25 2HB LEU 4 1HB LEU 4 -9.929 -5.412 -6.865 26 HG LEU 4 HG LEU 4 -12.825 -5.279 -7.306 27 1HD1 LEU 4 1HD1 LEU 4 -12.069 -3.428 -5.191 28 2HD1 LEU 4 2HD1 LEU 4 -13.536 -4.386 -5.390 29 3HD1 LEU 4 3HD1 LEU 4 -12.100 -5.111 -4.665 30 1HD2 LEU 4 1HD2 LEU 4 -11.264 -2.835 -6.929 31 2HD2 LEU 4 2HD2 LEU 4 -10.586 -3.945 -8.125 32 3HD2 LEU 4 3HD2 LEU 4 -12.241 -3.361 -8.300 33 H THR 5 H THR 5 -8.555 -7.410 -7.971 34 HA THR 5 HA THR 5 -8.349 -9.692 -6.152 35 HB THR 5 HB THR 5 -6.467 -10.253 -8.117 36 HG1 THR 5 1HG THR 5 -8.926 -10.006 -9.492 37 1HG2 THR 5 1HG2 THR 5 -9.163 -11.384 -7.451 38 2HG2 THR 5 2HG2 THR 5 -7.570 -12.001 -7.011 39 3HG2 THR 5 3HG2 THR 5 -8.132 -12.114 -8.680 40 H CYS 6 H CYS 6 -6.602 -9.606 -4.875 41 HA CYS 6 HA CYS 6 -4.934 -7.246 -5.100 42 1HB CYS 6 2HB CYS 6 -5.411 -7.253 -2.912 43 2HB CYS 6 1HB CYS 6 -5.967 -8.921 -2.963 44 H GLY 7 H GLY 7 -2.678 -7.309 -5.137 45 1HA GLY 7 1HA GLY 7 -1.651 -9.687 -6.459 46 2HA GLY 7 2HA GLY 7 -0.860 -8.119 -6.371 47 H GLY 8 H GLY 8 -1.876 -8.776 -3.324 48 1HA GLY 8 1HA GLY 8 0.819 -9.539 -2.518 49 2HA GLY 8 2HA GLY 8 -0.489 -9.030 -1.454 50 H CYS 9 H CYS 9 -2.490 -10.763 -2.193 51 HA CYS 9 HA CYS 9 -1.351 -13.369 -1.428 52 1HB CYS 9 2HB CYS 9 -3.420 -13.838 -0.238 53 2HB CYS 9 1HB CYS 9 -2.733 -12.325 0.340 54 H GLN 10 H GLN 10 -3.602 -11.661 -3.464 55 HA GLN 10 HA GLN 10 -4.586 -12.154 -5.439 56 1HB GLN 10 2HB GLN 10 -2.354 -13.967 -5.337 57 2HB GLN 10 1HB GLN 10 -3.721 -14.739 -6.130 58 1HG GLN 10 2HG GLN 10 -2.838 -11.987 -6.903 59 2HG GLN 10 1HG GLN 10 -2.051 -13.423 -7.557 60 1HE2 GLN 10 1HE2 GLN 10 -3.933 -11.218 -8.578 61 2HE2 GLN 10 2HE2 GLN 10 -5.107 -12.110 -9.506 62 H GLN 11 H GLN 11 -5.641 -13.076 -2.804 63 HA GLN 11 HA GLN 11 -7.198 -15.410 -3.610 64 1HB GLN 11 2HB GLN 11 -7.695 -15.752 -1.366 65 2HB GLN 11 1HB GLN 11 -6.067 -15.103 -1.311 66 1HG GLN 11 2HG GLN 11 -7.114 -12.848 -0.869 67 2HG GLN 11 1HG GLN 11 -8.641 -13.708 -0.644 68 1HE2 GLN 11 1HE2 GLN 11 -5.447 -13.151 0.603 69 2HE2 GLN 11 2HE2 GLN 11 -5.731 -13.808 2.190 70 H ASN 12 H ASN 12 -7.500 -12.511 -4.556 71 HA ASN 12 HA ASN 12 -9.194 -11.267 -5.412 72 1HB ASN 12 2HB ASN 12 -10.303 -13.487 -5.805 73 2HB ASN 12 1HB ASN 12 -11.104 -13.307 -4.244 74 1HD2 ASN 12 1HD2 ASN 12 -11.231 -12.655 -7.545 75 2HD2 ASN 12 2HD2 ASN 12 -12.591 -11.573 -7.531 76 H ILE 13 H ILE 13 -10.202 -9.437 -4.715 77 HA ILE 13 HA ILE 13 -10.476 -9.192 -1.805 78 HB ILE 13 HB ILE 13 -10.718 -6.833 -3.596 79 1HG1 ILE 13 2HG1 ILE 13 -8.006 -7.560 -2.624 80 2HG1 ILE 13 1HG1 ILE 13 -8.607 -8.399 -4.047 81 1HG2 ILE 13 1HG2 ILE 13 -10.527 -7.332 -0.811 82 2HG2 ILE 13 2HG2 ILE 13 -9.099 -6.414 -1.297 83 3HG2 ILE 13 3HG2 ILE 13 -10.717 -5.787 -1.638 84 1HD1 ILE 13 1HD1 ILE 13 -8.575 -6.534 -5.344 85 2HD1 ILE 13 2HD1 ILE 13 -8.816 -5.444 -3.977 86 3HD1 ILE 13 3HD1 ILE 13 -7.235 -6.174 -4.251 87 H GLY 14 H GLY 14 -12.431 -10.001 -1.371 88 1HA GLY 14 1HA GLY 14 -14.751 -8.656 -2.624 89 2HA GLY 14 2HA GLY 14 -14.809 -10.291 -1.957 90 H ASP 15 H ASP 15 -12.821 -8.169 -0.325 91 HA ASP 15 HA ASP 15 -14.296 -8.353 2.089 92 1HB ASP 15 2HB ASP 15 -11.937 -6.568 1.432 93 2HB ASP 15 1HB ASP 15 -12.502 -6.992 3.046 94 H ARG 16 H ARG 16 -14.599 -6.267 3.427 95 HA ARG 16 HA ARG 16 -16.559 -4.714 2.088 96 1HB ARG 16 2HB ARG 16 -16.081 -3.295 4.373 97 2HB ARG 16 1HB ARG 16 -17.190 -4.650 4.237 98 1HG ARG 16 2HG ARG 16 -16.004 -5.299 6.058 99 2HG ARG 16 1HG ARG 16 -15.021 -6.037 4.793 100 1HD ARG 16 2HD ARG 16 -14.094 -3.401 5.102 101 2HD ARG 16 1HD ARG 16 -14.297 -4.057 6.726 102 HE ARG 16 HE ARG 16 -13.006 -6.046 5.393 103 1HH1 ARG 16 2HH1 ARG 16 -12.320 -2.669 6.062 104 2HH1 ARG 16 1HH1 ARG 16 -10.599 -2.843 5.809 105 1HH2 ARG 16 2HH2 ARG 16 -10.776 -6.301 5.162 106 2HH2 ARG 16 1HH2 ARG 16 -9.715 -4.926 5.358 107 H TYR 17 H TYR 17 -13.225 -4.093 3.038 108 HA TYR 17 HA TYR 17 -13.282 -1.668 1.384 109 1HB TYR 17 2HB TYR 17 -13.234 -1.578 4.130 110 2HB TYR 17 1HB TYR 17 -11.517 -1.541 3.736 111 HD1 TYR 17 1HD TYR 17 -14.710 0.050 2.665 112 HD2 TYR 17 2HD TYR 17 -10.545 0.532 3.368 113 HE1 TYR 17 1HE TYR 17 -14.905 2.436 2.134 114 HE2 TYR 17 2HE TYR 17 -10.733 2.930 2.850 115 HH TYR 17 HH TYR 17 -13.823 4.321 1.763 116 H PHE 18 H PHE 18 -11.235 -1.153 0.412 117 HA PHE 18 HA PHE 18 -9.070 -3.049 0.791 118 1HB PHE 18 2HB PHE 18 -9.022 -3.950 -1.372 119 2HB PHE 18 1HB PHE 18 -10.706 -4.039 -0.888 120 HD1 PHE 18 1HD PHE 18 -8.579 -3.287 -3.497 121 HD2 PHE 18 2HD PHE 18 -12.106 -1.845 -1.602 122 HE1 PHE 18 1HE PHE 18 -9.226 -2.142 -5.573 123 HE2 PHE 18 2HE PHE 18 -12.758 -0.705 -3.675 124 HZ PHE 18 HZ PHE 18 -11.318 -0.852 -5.665 125 H LEU 19 H LEU 19 -7.386 -2.574 -1.116 126 HA LEU 19 HA LEU 19 -7.034 0.344 -1.261 127 1HB LEU 19 2HB LEU 19 -5.279 -1.767 -0.098 128 2HB LEU 19 1HB LEU 19 -4.518 -0.433 -0.932 129 HG LEU 19 HG LEU 19 -6.409 -0.104 1.389 130 1HD1 LEU 19 1HD1 LEU 19 -3.590 0.556 1.766 131 2HD1 LEU 19 2HD1 LEU 19 -4.707 -0.300 2.828 132 3HD1 LEU 19 3HD1 LEU 19 -3.894 -1.164 1.523 133 1HD2 LEU 19 1HD2 LEU 19 -4.539 2.029 0.859 134 2HD2 LEU 19 2HD2 LEU 19 -5.562 1.705 -0.541 135 3HD2 LEU 19 3HD2 LEU 19 -6.295 2.084 1.018 136 H LYS 20 H LYS 20 -5.690 1.062 -2.977 137 HA LYS 20 HA LYS 20 -4.517 -0.901 -4.737 138 1HB LYS 20 2HB LYS 20 -5.792 1.251 -6.267 139 2HB LYS 20 1HB LYS 20 -5.688 -0.460 -6.639 140 1HG LYS 20 2HG LYS 20 -7.863 -0.557 -6.255 141 2HG LYS 20 1HG LYS 20 -7.492 -0.299 -4.551 142 1HD LYS 20 2HD LYS 20 -8.299 1.788 -4.580 143 2HD LYS 20 1HD LYS 20 -7.496 2.164 -6.106 144 1HE LYS 20 2HE LYS 20 -10.001 0.508 -5.914 145 2HE LYS 20 1HE LYS 20 -10.012 2.254 -6.141 146 1HZ LYS 20 1HZ LYS 20 -9.790 0.291 -8.088 147 2HZ LYS 20 2HZ LYS 20 -8.278 1.071 -8.028 148 3HZ LYS 20 3HZ LYS 20 -9.690 1.970 -8.294 149 H ALA 21 H ALA 21 -3.109 0.411 -6.411 150 HA ALA 21 HA ALA 21 -2.519 3.118 -5.888 151 1HB ALA 21 1HB ALA 21 -0.553 1.220 -4.620 152 2HB ALA 21 2HB ALA 21 -0.419 2.975 -4.700 153 3HB ALA 21 3HB ALA 21 -1.700 2.232 -3.743 154 H ILE 22 H ILE 22 -0.086 0.636 -6.165 155 HA ILE 22 HA ILE 22 1.544 1.628 -7.998 156 HB ILE 22 HB ILE 22 0.772 -1.281 -8.150 157 1HG1 ILE 22 2HG1 ILE 22 2.205 0.247 -5.989 158 2HG1 ILE 22 1HG1 ILE 22 0.917 -0.941 -5.828 159 1HG2 ILE 22 1HG2 ILE 22 2.941 -1.686 -8.859 160 2HG2 ILE 22 2HG2 ILE 22 2.531 -0.181 -9.683 161 3HG2 ILE 22 3HG2 ILE 22 3.539 -0.147 -8.238 162 1HD1 ILE 22 1HD1 ILE 22 3.234 -1.640 -5.100 163 2HD1 ILE 22 2HD1 ILE 22 2.377 -2.729 -6.192 164 3HD1 ILE 22 3HD1 ILE 22 3.649 -1.676 -6.815 165 H ASP 23 H ASP 23 -1.149 -0.468 -8.933 166 HA ASP 23 HA ASP 23 -2.078 0.974 -11.091 167 1HB ASP 23 2HB ASP 23 0.216 0.381 -12.047 168 2HB ASP 23 1HB ASP 23 -0.332 -1.293 -12.074 169 H GLN 24 H GLN 24 -1.778 -1.716 -9.178 170 HA GLN 24 HA GLN 24 -4.161 -2.956 -10.344 171 1HB GLN 24 2HB GLN 24 -3.289 -5.082 -9.213 172 2HB GLN 24 1HB GLN 24 -2.467 -4.558 -10.675 173 1HG GLN 24 2HG GLN 24 -1.368 -3.567 -8.127 174 2HG GLN 24 1HG GLN 24 -1.200 -5.291 -8.442 175 1HE2 GLN 24 1HE2 GLN 24 1.118 -4.324 -8.304 176 2HE2 GLN 24 2HE2 GLN 24 1.841 -3.908 -9.827 177 H TYR 25 H TYR 25 -4.818 -4.640 -8.301 178 HA TYR 25 HA TYR 25 -5.443 -2.704 -6.179 179 1HB TYR 25 2HB TYR 25 -6.966 -5.252 -6.672 180 2HB TYR 25 1HB TYR 25 -7.477 -3.821 -5.773 181 HD1 TYR 25 1HD TYR 25 -8.139 -5.558 -8.602 182 HD2 TYR 25 2HD TYR 25 -7.194 -1.583 -7.413 183 HE1 TYR 25 1HE TYR 25 -9.203 -4.699 -10.649 184 HE2 TYR 25 2HE TYR 25 -8.261 -0.712 -9.451 185 HH TYR 25 HH TYR 25 -8.874 -2.467 -12.090 186 H TRP 26 H TRP 26 -5.574 -3.456 -4.017 187 HA TRP 26 HA TRP 26 -3.972 -5.831 -3.409 188 1HB TRP 26 2HB TRP 26 -3.455 -3.086 -2.223 189 2HB TRP 26 1HB TRP 26 -2.572 -4.565 -1.864 190 HD1 TRP 26 HD TRP 26 -2.821 -1.780 -4.446 191 HE1 TRP 26 1HE TRP 26 -0.858 -2.000 -6.095 192 HE3 TRP 26 3HE TRP 26 -0.993 -6.304 -2.931 193 HZ2 TRP 26 2HZ TRP 26 1.197 -3.846 -6.679 194 HZ3 TRP 26 3HZ TRP 26 0.973 -7.227 -4.084 195 HH2 TRP 26 HH TRP 26 2.046 -6.021 -5.919 196 H HIS 27 H HIS 27 -3.751 -5.556 -0.789 197 HA HIS 27 HA HIS 27 -6.477 -5.180 0.274 198 1HB HIS 27 2HB HIS 27 -4.459 -7.330 0.776 199 2HB HIS 27 1HB HIS 27 -5.383 -6.755 2.158 200 HD2 HIS 27 2HD HIS 27 -8.333 -6.726 1.289 201 HE1 HIS 27 1HE HIS 27 -7.627 -10.494 -0.512 202 HE2 HIS 27 2HE HIS 27 -9.381 -8.987 0.559 203 H GLU 28 H GLU 28 -6.293 -4.544 2.710 204 HA GLU 28 HA GLU 28 -4.501 -2.354 2.977 205 1HB GLU 28 2HB GLU 28 -5.866 -3.647 5.303 206 2HB GLU 28 1HB GLU 28 -5.539 -1.960 5.004 207 1HG GLU 28 2HG GLU 28 -7.407 -1.650 3.770 208 2HG GLU 28 1HG GLU 28 -7.403 -3.309 3.165 209 H ASP 29 H ASP 29 -4.769 -5.523 4.520 210 HA ASP 29 HA ASP 29 -2.236 -5.165 5.868 211 1HB ASP 29 2HB ASP 29 -4.480 -6.350 6.667 212 2HB ASP 29 1HB ASP 29 -3.702 -7.759 5.954 213 H CYS 30 H CYS 30 -2.831 -5.948 2.824 214 HA CYS 30 HA CYS 30 -0.935 -8.177 2.684 215 1HB CYS 30 2HB CYS 30 -3.029 -7.114 0.854 216 2HB CYS 30 1HB CYS 30 -1.640 -7.929 0.146 217 H LEU 31 H LEU 31 -1.505 -4.976 1.228 218 HA LEU 31 HA LEU 31 0.864 -4.962 -0.273 219 1HB LEU 31 2HB LEU 31 -1.077 -3.473 -0.697 220 2HB LEU 31 1HB LEU 31 -0.658 -2.562 0.742 221 HG LEU 31 HG LEU 31 1.342 -1.738 -0.239 222 1HD1 LEU 31 1HD1 LEU 31 1.316 -4.133 -1.708 223 2HD1 LEU 31 2HD1 LEU 31 1.243 -2.823 -2.884 224 3HD1 LEU 31 3HD1 LEU 31 2.553 -2.877 -1.706 225 1HD2 LEU 31 1HD2 LEU 31 -0.595 -1.677 -2.526 226 2HD2 LEU 31 2HD2 LEU 31 -0.911 -0.821 -1.016 227 3HD2 LEU 31 3HD2 LEU 31 0.513 -0.419 -1.976 228 H SER 32 H SER 32 2.617 -5.504 0.854 229 HA SER 32 HA SER 32 3.670 -3.463 2.670 230 1HB SER 32 2HB SER 32 4.610 -6.203 3.216 231 2HB SER 32 1HB SER 32 4.141 -4.929 4.344 232 HG SER 32 HG SER 32 2.079 -6.043 2.871 233 H CYS 33 H CYS 33 6.207 -3.897 2.815 234 HA CYS 33 HA CYS 33 7.085 -3.837 0.126 235 1HB CYS 33 2HB CYS 33 9.268 -3.376 1.109 236 2HB CYS 33 1HB CYS 33 8.022 -2.339 1.770 237 H ASP 34 H ASP 34 9.137 -5.074 -0.456 238 HA ASP 34 HA ASP 34 8.351 -7.704 -0.749 239 1HB ASP 34 2HB ASP 34 9.966 -6.265 -2.180 240 2HB ASP 34 1HB ASP 34 11.219 -6.943 -1.141 241 H LEU 35 H LEU 35 11.235 -6.628 1.072 242 HA LEU 35 HA LEU 35 11.557 -9.345 1.985 243 1HB LEU 35 2HB LEU 35 13.429 -7.857 1.231 244 2HB LEU 35 1HB LEU 35 13.231 -6.958 2.722 245 HG LEU 35 HG LEU 35 13.843 -8.902 4.031 246 1HD1 LEU 35 1HD1 LEU 35 13.047 -10.776 2.933 247 2HD1 LEU 35 2HD1 LEU 35 13.721 -10.279 1.380 248 3HD1 LEU 35 3HD1 LEU 35 14.786 -10.888 2.648 249 1HD2 LEU 35 1HD2 LEU 35 15.852 -8.674 1.807 250 2HD2 LEU 35 2HD2 LEU 35 15.577 -7.376 2.970 251 3HD2 LEU 35 3HD2 LEU 35 16.140 -8.953 3.524 252 H CYS 36 H CYS 36 11.518 -6.249 3.802 253 HA CYS 36 HA CYS 36 11.221 -7.520 6.282 254 1HB CYS 36 2HB CYS 36 10.132 -4.792 6.092 255 2HB CYS 36 1HB CYS 36 11.385 -5.440 7.149 256 H GLY 37 H GLY 37 8.823 -5.898 4.236 257 1HA GLY 37 1HA GLY 37 6.590 -6.302 3.948 258 2HA GLY 37 2HA GLY 37 6.893 -7.878 4.665 259 H CYS 38 H CYS 38 7.121 -4.621 6.084 260 HA CYS 38 HA CYS 38 5.320 -5.506 8.217 261 1HB CYS 38 2HB CYS 38 6.300 -2.757 8.384 262 2HB CYS 38 1HB CYS 38 6.405 -4.060 9.563 263 HG CYS 38 HG CYS 38 8.625 -3.169 7.159 264 H ARG 39 H ARG 39 5.672 -2.284 6.845 265 HA ARG 39 HA ARG 39 3.115 -2.395 5.524 266 1HB ARG 39 2HB ARG 39 3.414 -1.110 8.148 267 2HB ARG 39 1HB ARG 39 2.756 -0.042 6.916 268 1HG ARG 39 2HG ARG 39 1.643 -2.730 7.692 269 2HG ARG 39 1HG ARG 39 0.997 -1.160 8.172 270 1HD ARG 39 2HD ARG 39 0.867 -0.702 5.634 271 2HD ARG 39 1HD ARG 39 1.014 -2.452 5.469 272 HE ARG 39 HE ARG 39 -1.055 -2.693 6.638 273 1HH1 ARG 39 2HH1 ARG 39 -0.244 0.609 5.797 274 2HH1 ARG 39 1HH1 ARG 39 -1.879 1.181 5.935 275 1HH2 ARG 39 2HH2 ARG 39 -3.205 -1.939 6.846 276 2HH2 ARG 39 1HH2 ARG 39 -3.553 -0.250 6.564 277 H LEU 40 H LEU 40 2.824 0.424 5.225 278 HA LEU 40 HA LEU 40 5.370 1.090 3.902 279 1HB LEU 40 2HB LEU 40 2.698 2.072 2.936 280 2HB LEU 40 1HB LEU 40 4.227 2.054 2.079 281 HG LEU 40 HG LEU 40 2.729 -0.459 2.814 282 1HD1 LEU 40 1HD1 LEU 40 2.722 0.829 0.107 283 2HD1 LEU 40 2HD1 LEU 40 1.726 -0.500 0.702 284 3HD1 LEU 40 3HD1 LEU 40 1.463 1.137 1.304 285 1HD2 LEU 40 1HD2 LEU 40 4.143 -1.237 0.771 286 2HD2 LEU 40 2HD2 LEU 40 5.139 0.166 1.151 287 3HD2 LEU 40 3HD2 LEU 40 4.908 -1.103 2.354 288 H GLY 41 H GLY 41 6.095 3.208 4.051 289 1HA GLY 41 1HA GLY 41 4.899 4.718 6.259 290 2HA GLY 41 2HA GLY 41 6.510 4.954 5.587 291 H GLU 42 H GLU 42 3.393 4.823 3.955 292 HA GLU 42 HA GLU 42 4.025 7.123 2.376 293 1HB GLU 42 2HB GLU 42 1.322 6.687 2.008 294 2HB GLU 42 1HB GLU 42 2.618 6.017 1.035 295 1HG GLU 42 2HG GLU 42 1.364 4.164 1.522 296 2HG GLU 42 1HG GLU 42 2.598 4.094 2.773 297 H VAL 43 H VAL 43 3.593 9.220 2.793 298 HA VAL 43 HA VAL 43 1.328 9.811 4.543 299 HB VAL 43 HB VAL 43 2.890 11.635 5.628 300 1HG1 VAL 43 1HG1 VAL 43 1.822 10.228 7.105 301 2HG1 VAL 43 2HG1 VAL 43 2.514 8.772 6.386 302 3HG1 VAL 43 3HG1 VAL 43 3.513 9.823 7.390 303 1HG2 VAL 43 1HG2 VAL 43 5.039 9.789 5.898 304 2HG2 VAL 43 2HG2 VAL 43 4.769 10.097 4.182 305 3HG2 VAL 43 3HG2 VAL 43 5.069 11.443 5.283 306 H GLY 44 H GLY 44 2.781 10.445 1.648 307 1HA GLY 44 1HA GLY 44 1.024 12.226 0.802 308 2HA GLY 44 2HA GLY 44 2.092 13.295 1.682 309 H ARG 45 H ARG 45 3.887 10.796 0.115 310 HA ARG 45 HA ARG 45 4.620 12.847 -1.853 311 1HB ARG 45 2HB ARG 45 6.206 11.696 -0.040 312 2HB ARG 45 1HB ARG 45 6.429 10.555 -1.354 313 1HG ARG 45 2HG ARG 45 7.320 12.214 -2.776 314 2HG ARG 45 1HG ARG 45 6.781 13.514 -1.710 315 1HD ARG 45 2HD ARG 45 9.009 11.544 -1.278 316 2HD ARG 45 1HD ARG 45 9.086 13.306 -1.308 317 HE ARG 45 HE ARG 45 7.394 12.666 0.769 318 1HH1 ARG 45 2HH1 ARG 45 10.737 11.980 -0.042 319 2HH1 ARG 45 1HH1 ARG 45 11.255 11.910 1.621 320 1HH2 ARG 45 2HH2 ARG 45 8.062 12.576 2.940 321 2HH2 ARG 45 1HH2 ARG 45 9.733 12.262 3.313 322 H ARG 46 H ARG 46 5.750 9.599 -2.230 323 HA ARG 46 HA ARG 46 3.987 9.130 -4.510 324 1HB ARG 46 2HB ARG 46 5.856 8.876 -6.060 325 2HB ARG 46 1HB ARG 46 5.825 10.500 -5.389 326 1HG ARG 46 2HG ARG 46 7.825 10.267 -4.414 327 2HG ARG 46 1HG ARG 46 7.477 8.623 -3.877 328 1HD ARG 46 2HD ARG 46 8.351 9.473 -6.630 329 2HD ARG 46 1HD ARG 46 9.322 8.611 -5.439 330 HE ARG 46 HE ARG 46 7.389 6.868 -5.718 331 1HH1 ARG 46 2HH1 ARG 46 8.841 8.828 -8.219 332 2HH1 ARG 46 1HH1 ARG 46 8.624 7.637 -9.469 333 1HH2 ARG 46 2HH2 ARG 46 7.075 5.292 -7.347 334 2HH2 ARG 46 1HH2 ARG 46 7.606 5.620 -8.973 335 H LEU 47 H LEU 47 4.147 6.984 -5.381 336 HA LEU 47 HA LEU 47 4.489 5.031 -3.344 337 1HB LEU 47 2HB LEU 47 2.777 4.854 -5.085 338 2HB LEU 47 1HB LEU 47 4.022 4.696 -6.309 339 HG LEU 47 HG LEU 47 4.568 2.653 -4.487 340 1HD1 LEU 47 1HD1 LEU 47 1.606 2.893 -4.985 341 2HD1 LEU 47 2HD1 LEU 47 2.409 1.421 -4.435 342 3HD1 LEU 47 3HD1 LEU 47 2.431 2.866 -3.425 343 1HD2 LEU 47 1HD2 LEU 47 4.909 1.882 -6.549 344 2HD2 LEU 47 2HD2 LEU 47 3.196 1.458 -6.539 345 3HD2 LEU 47 3HD2 LEU 47 3.724 2.983 -7.253 346 H TYR 48 H TYR 48 6.421 4.452 -2.640 347 HA TYR 48 HA TYR 48 8.760 4.365 -4.318 348 1HB TYR 48 2HB TYR 48 8.125 3.903 -1.446 349 2HB TYR 48 1HB TYR 48 9.537 3.074 -2.085 350 HD1 TYR 48 1HD TYR 48 8.138 6.531 -2.564 351 HD2 TYR 48 2HD TYR 48 11.452 4.117 -1.427 352 HE1 TYR 48 1HE TYR 48 9.483 8.558 -2.201 353 HE2 TYR 48 2HE TYR 48 12.805 6.132 -1.065 354 HH TYR 48 HH TYR 48 12.165 8.680 -0.438 355 H TYR 49 H TYR 49 9.124 2.710 -5.695 356 HA TYR 49 HA TYR 49 8.963 0.007 -4.778 357 1HB TYR 49 2HB TYR 49 7.190 -0.851 -5.982 358 2HB TYR 49 1HB TYR 49 6.557 0.726 -5.517 359 HD1 TYR 49 1HD TYR 49 6.628 -1.512 -8.084 360 HD2 TYR 49 2HD TYR 49 7.330 2.627 -7.391 361 HE1 TYR 49 1HE TYR 49 6.115 -1.036 -10.443 362 HE2 TYR 49 2HE TYR 49 6.837 3.113 -9.753 363 HH TYR 49 HH TYR 49 5.270 1.705 -11.633 364 H LYS 50 H LYS 50 9.620 -1.545 -6.542 365 HA LYS 50 HA LYS 50 11.653 -0.245 -8.216 366 1HB LYS 50 2HB LYS 50 11.527 -2.721 -6.707 367 2HB LYS 50 1HB LYS 50 11.992 -3.013 -8.377 368 1HG LYS 50 2HG LYS 50 13.756 -1.258 -8.100 369 2HG LYS 50 1HG LYS 50 13.354 -1.218 -6.383 370 1HD LYS 50 2HD LYS 50 14.456 -3.122 -5.968 371 2HD LYS 50 1HD LYS 50 13.809 -3.914 -7.406 372 1HE LYS 50 2HE LYS 50 15.449 -2.482 -8.731 373 2HE LYS 50 1HE LYS 50 16.206 -2.115 -7.183 374 1HZ LYS 50 1HZ LYS 50 16.010 -4.800 -7.108 375 2HZ LYS 50 2HZ LYS 50 17.392 -3.946 -7.588 376 3HZ LYS 50 3HZ LYS 50 16.309 -4.527 -8.755 377 H LEU 51 H LEU 51 12.027 -1.280 -10.357 378 HA LEU 51 HA LEU 51 10.218 -0.802 -12.176 379 1HB LEU 51 2HB LEU 51 11.317 -2.169 -13.729 380 2HB LEU 51 1HB LEU 51 12.523 -1.689 -12.555 381 HG LEU 51 HG LEU 51 11.137 -4.357 -12.406 382 1HD1 LEU 51 1HD1 LEU 51 13.192 -3.429 -14.268 383 2HD1 LEU 51 2HD1 LEU 51 13.602 -4.905 -13.396 384 3HD1 LEU 51 3HD1 LEU 51 12.125 -4.829 -14.357 385 1HD2 LEU 51 1HD2 LEU 51 13.387 -3.014 -11.033 386 2HD2 LEU 51 2HD2 LEU 51 12.215 -4.185 -10.421 387 3HD2 LEU 51 3HD2 LEU 51 13.584 -4.729 -11.395 388 H GLY 52 H GLY 52 10.234 -4.038 -10.657 389 1HA GLY 52 1HA GLY 52 7.384 -4.220 -11.327 390 2HA GLY 52 2HA GLY 52 8.445 -5.532 -11.823 391 H ARG 53 H ARG 53 8.987 -3.801 -8.857 392 HA ARG 53 HA ARG 53 7.834 -6.021 -7.320 393 1HB ARG 53 2HB ARG 53 10.572 -4.898 -6.729 394 2HB ARG 53 1HB ARG 53 9.800 -6.288 -5.980 395 1HG ARG 53 2HG ARG 53 9.847 -6.941 -8.661 396 2HG ARG 53 1HG ARG 53 11.382 -6.110 -8.400 397 1HD ARG 53 2HD ARG 53 11.721 -7.611 -6.405 398 2HD ARG 53 1HD ARG 53 10.320 -8.528 -6.954 399 HE ARG 53 HE ARG 53 12.387 -8.167 -8.946 400 1HH1 ARG 53 2HH1 ARG 53 11.113 -10.195 -6.383 401 2HH1 ARG 53 1HH1 ARG 53 11.969 -11.612 -6.909 402 1HH2 ARG 53 2HH2 ARG 53 13.490 -10.047 -9.658 403 2HH2 ARG 53 1HH2 ARG 53 13.309 -11.533 -8.774 404 H LYS 54 H LYS 54 6.740 -5.373 -5.588 405 HA LYS 54 HA LYS 54 6.794 -2.537 -4.881 406 1HB LYS 54 2HB LYS 54 4.902 -3.437 -3.261 407 2HB LYS 54 1HB LYS 54 4.572 -3.129 -4.959 408 1HG LYS 54 2HG LYS 54 3.911 -5.223 -5.220 409 2HG LYS 54 1HG LYS 54 5.502 -5.802 -4.718 410 1HD LYS 54 2HD LYS 54 4.246 -5.034 -2.353 411 2HD LYS 54 1HD LYS 54 2.986 -5.839 -3.291 412 1HE LYS 54 2HE LYS 54 3.849 -7.724 -2.432 413 2HE LYS 54 1HE LYS 54 5.085 -7.517 -3.678 414 1HZ LYS 54 1HZ LYS 54 5.237 -6.893 -0.796 415 2HZ LYS 54 2HZ LYS 54 6.271 -6.124 -1.900 416 3HZ LYS 54 3HZ LYS 54 6.297 -7.814 -1.749 417 H LEU 55 H LEU 55 8.562 -2.176 -3.664 418 HA LEU 55 HA LEU 55 8.737 -3.589 -1.114 419 1HB LEU 55 2HB LEU 55 10.950 -4.202 -1.344 420 2HB LEU 55 1HB LEU 55 10.312 -4.510 -2.943 421 HG LEU 55 HG LEU 55 11.969 -2.116 -2.135 422 1HD1 LEU 55 1HD1 LEU 55 12.645 -4.481 -3.878 423 2HD1 LEU 55 2HD1 LEU 55 13.696 -3.112 -3.517 424 3HD1 LEU 55 3HD1 LEU 55 13.223 -4.225 -2.232 425 1HD2 LEU 55 1HD2 LEU 55 11.976 -2.267 -4.876 426 2HD2 LEU 55 2HD2 LEU 55 10.306 -2.657 -4.468 427 3HD2 LEU 55 3HD2 LEU 55 11.018 -1.144 -3.911 428 H CYS 56 H CYS 56 10.516 -2.454 0.280 429 HA CYS 56 HA CYS 56 9.807 0.356 0.288 430 1HB CYS 56 2HB CYS 56 10.839 0.452 2.473 431 2HB CYS 56 1HB CYS 56 9.773 -0.938 2.407 432 H ARG 57 H ARG 57 11.890 1.588 1.302 433 HA ARG 57 HA ARG 57 13.889 1.434 -0.845 434 1HB ARG 57 2HB ARG 57 12.712 3.618 0.292 435 2HB ARG 57 1HB ARG 57 14.199 3.513 1.226 436 1HG ARG 57 2HG ARG 57 14.346 3.360 -1.747 437 2HG ARG 57 1HG ARG 57 14.089 4.926 -0.972 438 1HD ARG 57 2HD ARG 57 16.129 3.747 0.498 439 2HD ARG 57 1HD ARG 57 16.495 3.325 -1.172 440 HE ARG 57 HE ARG 57 15.939 6.129 -0.496 441 1HH1 ARG 57 2HH1 ARG 57 18.163 3.658 -1.577 442 2HH1 ARG 57 1HH1 ARG 57 19.395 4.779 -2.053 443 1HH2 ARG 57 2HH2 ARG 57 17.576 7.622 -1.068 444 2HH2 ARG 57 1HH2 ARG 57 19.075 7.039 -1.741 445 H ARG 58 H ARG 58 13.333 0.434 2.308 446 HA ARG 58 HA ARG 58 16.027 0.531 3.231 447 1HB ARG 58 2HB ARG 58 13.494 -0.671 4.317 448 2HB ARG 58 1HB ARG 58 15.044 -0.830 5.139 449 1HG ARG 58 2HG ARG 58 14.245 1.031 6.177 450 2HG ARG 58 1HG ARG 58 15.090 1.766 4.813 451 1HD ARG 58 2HD ARG 58 12.934 1.719 3.564 452 2HD ARG 58 1HD ARG 58 12.144 1.276 5.082 453 HE ARG 58 HE ARG 58 13.642 3.795 4.670 454 1HH1 ARG 58 2HH1 ARG 58 11.056 1.972 6.173 455 2HH1 ARG 58 1HH1 ARG 58 10.350 3.369 6.932 456 1HH2 ARG 58 2HH2 ARG 58 12.762 5.605 5.685 457 2HH2 ARG 58 1HH2 ARG 58 11.333 5.441 6.669 458 H ASP 59 H ASP 59 13.806 -2.104 2.335 459 HA ASP 59 HA ASP 59 16.010 -3.980 2.448 460 1HB ASP 59 2HB ASP 59 14.430 -5.722 1.946 461 2HB ASP 59 1HB ASP 59 13.769 -4.691 3.200 462 H TYR 60 H TYR 60 14.828 -1.808 0.260 463 HA TYR 60 HA TYR 60 15.697 -3.131 -2.153 464 1HB TYR 60 2HB TYR 60 14.365 -1.448 -2.884 465 2HB TYR 60 1HB TYR 60 14.581 -0.511 -1.415 466 HD1 TYR 60 1HD TYR 60 16.484 1.076 -1.226 467 HD2 TYR 60 2HD TYR 60 15.666 -1.007 -4.850 468 HE1 TYR 60 1HE TYR 60 17.858 2.692 -2.461 469 HE2 TYR 60 2HE TYR 60 17.057 0.602 -6.091 470 HH TYR 60 HH TYR 60 19.051 2.932 -4.482 471 H LEU 61 H LEU 61 16.984 -1.116 0.385 472 HA LEU 61 HA LEU 61 19.555 -0.726 -0.852 473 1HB LEU 61 2HB LEU 61 18.134 0.348 1.323 474 2HB LEU 61 1HB LEU 61 19.541 -0.432 2.017 475 HG LEU 61 HG LEU 61 20.862 1.258 1.416 476 1HD1 LEU 61 1HD1 LEU 61 21.405 0.667 -0.715 477 2HD1 LEU 61 2HD1 LEU 61 19.732 0.714 -1.278 478 3HD1 LEU 61 3HD1 LEU 61 20.619 2.218 -1.021 479 1HD2 LEU 61 1HD2 LEU 61 19.486 3.276 0.333 480 2HD2 LEU 61 2HD2 LEU 61 18.147 2.312 0.955 481 3HD2 LEU 61 3HD2 LEU 61 19.416 2.866 2.047 482 H ARG 62 H ARG 62 18.670 -2.292 2.200 483 HA ARG 62 HA ARG 62 20.073 -4.722 1.546 484 1HB ARG 62 2HB ARG 62 21.322 -2.596 3.070 485 2HB ARG 62 1HB ARG 62 21.186 -4.074 4.006 486 1HG ARG 62 2HG ARG 62 22.085 -4.763 1.405 487 2HG ARG 62 1HG ARG 62 23.066 -3.420 1.996 488 1HD ARG 62 2HD ARG 62 22.502 -5.656 3.853 489 2HD ARG 62 1HD ARG 62 23.653 -5.942 2.548 490 HE ARG 62 HE ARG 62 24.737 -3.781 3.455 491 1HH1 ARG 62 2HH1 ARG 62 23.236 -6.315 5.360 492 2HH1 ARG 62 1HH1 ARG 62 24.119 -5.923 6.815 493 1HH2 ARG 62 2HH2 ARG 62 25.937 -3.291 5.362 494 2HH2 ARG 62 1HH2 ARG 62 25.654 -4.217 6.806 495 H LEU 63 H LEU 63 19.454 -3.184 4.675 496 HA LEU 63 HA LEU 63 17.056 -4.856 4.948 497 1HB LEU 63 2HB LEU 63 17.779 -4.565 7.557 498 2HB LEU 63 1HB LEU 63 18.042 -6.007 6.598 499 HG LEU 63 HG LEU 63 20.202 -4.030 6.397 500 1HD1 LEU 63 1HD1 LEU 63 19.160 -4.777 8.993 501 2HD1 LEU 63 2HD1 LEU 63 20.832 -5.296 8.777 502 3HD1 LEU 63 3HD1 LEU 63 20.401 -3.597 8.574 503 1HD2 LEU 63 1HD2 LEU 63 19.877 -6.982 6.713 504 2HD2 LEU 63 2HD2 LEU 63 20.679 -6.074 5.433 505 3HD2 LEU 63 3HD2 LEU 63 21.441 -6.227 7.017 506 H GLY 64 H GLY 64 18.845 -1.969 5.761 507 1HA GLY 64 1HA GLY 64 16.295 -0.550 5.972 508 2HA GLY 64 2HA GLY 64 17.487 -0.339 7.248 509 H GLY 65 H GLY 65 19.796 0.045 6.198 510 1HA GLY 65 1HA GLY 65 19.561 1.930 3.965 511 2HA GLY 65 2HA GLY 65 20.153 2.555 5.499 512 H SER 66 H SER 66 20.807 -0.565 3.986 513 HA SER 66 HA SER 66 22.788 -1.733 4.008 514 1HB SER 66 2HB SER 66 23.595 0.520 2.172 515 2HB SER 66 1HB SER 66 24.103 -1.168 2.098 516 HG SER 66 HG SER 66 22.503 -0.923 0.598 517 H GLY 67 H GLY 67 22.866 -0.151 6.303 518 1HA GLY 67 1HA GLY 67 25.702 0.675 6.361 519 2HA GLY 67 2HA GLY 67 24.454 1.410 7.361 520 H GLY 68 H GLY 68 23.273 -0.162 8.818 521 1HA GLY 68 1HA GLY 68 23.291 -2.156 10.103 522 2HA GLY 68 2HA GLY 68 24.976 -2.393 9.661 523 H HIS 69 H HIS 69 24.869 0.751 10.373 524 HA HIS 69 HA HIS 69 25.777 0.281 13.115 525 1HB HIS 69 2HB HIS 69 25.991 3.012 12.019 526 2HB HIS 69 1HB HIS 69 27.176 2.056 12.895 527 HD2 HIS 69 2HD HIS 69 28.397 0.004 11.144 528 HE1 HIS 69 1HE HIS 69 27.977 2.577 7.808 529 HE2 HIS 69 2HE HIS 69 28.958 0.388 8.639 530 H MET 70 H MET 70 25.167 1.813 14.792 531 HA MET 70 HA MET 70 22.358 2.173 14.950 532 1HB MET 70 2HB MET 70 24.690 2.991 16.650 533 2HB MET 70 1HB MET 70 23.086 3.619 17.004 534 1HG MET 70 2HG MET 70 22.811 0.845 16.655 535 2HG MET 70 1HG MET 70 24.229 1.095 17.669 536 1HE MET 70 1HE MET 70 20.060 2.729 18.386 537 2HE MET 70 2HE MET 70 20.764 2.103 16.895 538 3HE MET 70 3HE MET 70 20.108 0.989 18.095 539 H GLY 71 H GLY 71 25.040 4.500 14.691 540 1HA GLY 71 1HA GLY 71 23.174 6.674 14.200 541 2HA GLY 71 2HA GLY 71 24.925 6.802 14.314 542 H SER 72 H SER 72 22.244 6.558 12.248 543 HA SER 72 HA SER 72 23.796 5.796 9.921 544 1HB SER 72 2HB SER 72 21.034 6.734 9.534 545 2HB SER 72 1HB SER 72 21.802 5.234 9.011 546 HG SER 72 HG SER 72 20.756 4.331 10.592 547 H GLY 73 H GLY 73 22.520 7.330 7.941 548 1HA GLY 73 1HA GLY 73 24.046 9.765 8.216 549 2HA GLY 73 2HA GLY 73 23.180 9.228 6.785 550 H GLY 74 H GLY 74 20.951 9.692 6.588 551 1HA GLY 74 1HA GLY 74 18.983 10.829 7.034 552 2HA GLY 74 2HA GLY 74 19.640 11.290 8.598 553 H ASP 75 H ASP 75 19.109 13.448 8.514 554 HA ASP 75 HA ASP 75 20.119 14.998 6.273 555 1HB ASP 75 2HB ASP 75 18.711 16.810 7.292 556 2HB ASP 75 1HB ASP 75 17.820 15.435 6.682 557 H VAL 76 H VAL 76 22.235 15.255 6.681 558 HA VAL 76 HA VAL 76 22.954 16.734 9.123 559 HB VAL 76 HB VAL 76 25.242 15.346 8.171 560 1HG1 VAL 76 1HG1 VAL 76 25.415 14.589 10.392 561 2HG1 VAL 76 2HG1 VAL 76 24.630 16.165 10.488 562 3HG1 VAL 76 3HG1 VAL 76 23.672 14.693 10.648 563 1HG2 VAL 76 1HG2 VAL 76 22.802 13.783 7.927 564 2HG2 VAL 76 2HG2 VAL 76 24.427 13.449 7.331 565 3HG2 VAL 76 3HG2 VAL 76 23.995 13.035 8.990 566 H MET 77 H MET 77 25.259 17.721 8.766 567 HA MET 77 HA MET 77 25.084 19.655 6.801 568 1HB MET 77 2HB MET 77 27.461 18.621 8.326 569 2HB MET 77 1HB MET 77 27.555 20.000 7.237 570 1HG MET 77 2HG MET 77 25.575 20.902 8.636 571 2HG MET 77 1HG MET 77 26.120 19.732 9.828 572 1HE MET 77 1HE MET 77 27.512 20.321 11.606 573 2HE MET 77 2HE MET 77 28.347 21.863 11.802 574 3HE MET 77 3HE MET 77 26.592 21.827 11.624 575 H VAL 78 H VAL 78 25.726 19.861 4.742 576 HA VAL 78 HA VAL 78 27.573 17.998 3.527 577 HB VAL 78 HB VAL 78 25.423 16.773 3.410 578 1HG1 VAL 78 1HG1 VAL 78 24.344 18.711 1.431 579 2HG1 VAL 78 2HG1 VAL 78 23.499 17.573 2.484 580 3HG1 VAL 78 3HG1 VAL 78 24.157 19.069 3.148 581 1HG2 VAL 78 1HG2 VAL 78 26.922 16.204 1.706 582 2HG2 VAL 78 2HG2 VAL 78 25.400 16.515 0.871 583 3HG2 VAL 78 3HG2 VAL 78 26.676 17.732 0.858 584 H VAL 79 H VAL 79 28.455 18.792 1.611 585 HA VAL 79 HA VAL 79 28.576 21.568 1.348 586 HB VAL 79 HB VAL 79 29.350 19.422 -0.635 587 1HG1 VAL 79 1HG1 VAL 79 30.952 21.406 -1.339 588 2HG1 VAL 79 2HG1 VAL 79 29.353 21.204 -2.052 589 3HG1 VAL 79 3HG1 VAL 79 29.600 22.376 -0.758 590 1HG2 VAL 79 1HG2 VAL 79 31.651 19.966 0.196 591 2HG2 VAL 79 2HG2 VAL 79 30.892 20.927 1.464 592 3HG2 VAL 79 3HG2 VAL 79 30.596 19.191 1.377 593 H GLY 80 H GLY 80 26.744 19.193 -0.543 594 1HA GLY 80 1HA GLY 80 24.844 21.256 -1.248 595 2HA GLY 80 2HA GLY 80 25.732 20.596 -2.617 596 H GLU 81 H GLU 81 25.208 18.633 -3.416 597 HA GLU 81 HA GLU 81 22.701 17.470 -2.736 598 1HB GLU 81 2HB GLU 81 24.696 17.192 -4.777 599 2HB GLU 81 1HB GLU 81 24.304 15.598 -4.144 600 1HG GLU 81 2HG GLU 81 21.944 17.203 -4.612 601 2HG GLU 81 1HG GLU 81 22.917 17.001 -6.068 602 HA PRO 82 HA PRO 82 24.263 15.204 0.752 603 1HB PRO 82 2HB PRO 82 21.743 13.754 0.740 604 2HB PRO 82 1HB PRO 82 22.378 14.871 1.945 605 1HG PRO 82 2HG PRO 82 20.270 15.475 0.338 606 2HG PRO 82 1HG PRO 82 21.382 16.694 0.982 607 1HD PRO 82 2HD PRO 82 21.243 15.500 -1.750 608 2HD PRO 82 1HD PRO 82 21.646 17.159 -1.261 609 H THR 83 H THR 83 25.138 13.258 1.126 610 HA THR 83 HA THR 83 24.454 10.877 -0.229 611 HB THR 83 HB THR 83 26.299 12.639 -1.582 612 HG1 THR 83 1HG THR 83 25.221 11.614 -3.064 613 1HG2 THR 83 1HG2 THR 83 28.021 11.436 -0.297 614 2HG2 THR 83 2HG2 THR 83 28.124 11.125 -2.033 615 3HG2 THR 83 3HG2 THR 83 27.423 9.913 -0.959 616 H LEU 84 H LEU 84 24.841 9.403 1.244 617 HA LEU 84 HA LEU 84 27.087 9.834 3.104 618 1HB LEU 84 2HB LEU 84 24.437 8.516 3.699 619 2HB LEU 84 1HB LEU 84 25.742 8.791 4.841 620 HG LEU 84 HG LEU 84 24.860 11.244 3.532 621 1HD1 LEU 84 1HD1 LEU 84 22.899 9.834 5.323 622 2HD1 LEU 84 2HD1 LEU 84 22.723 11.434 4.603 623 3HD1 LEU 84 3HD1 LEU 84 22.726 10.000 3.576 624 1HD2 LEU 84 1HD2 LEU 84 26.097 10.454 5.896 625 2HD2 LEU 84 2HD2 LEU 84 25.630 12.090 5.437 626 3HD2 LEU 84 3HD2 LEU 84 24.532 11.096 6.393 627 H MET 85 H MET 85 28.213 8.014 3.839 628 HA MET 85 HA MET 85 27.923 5.678 2.066 629 1HB MET 85 2HB MET 85 30.067 7.265 2.175 630 2HB MET 85 1HB MET 85 30.476 6.194 3.508 631 1HG MET 85 2HG MET 85 29.780 4.394 1.622 632 2HG MET 85 1HG MET 85 30.428 5.691 0.616 633 1HE MET 85 1HE MET 85 32.741 2.417 2.042 634 2HE MET 85 2HE MET 85 31.043 2.617 1.611 635 3HE MET 85 3HE MET 85 32.300 2.938 0.413 636 H GLY 86 H GLY 86 27.218 6.623 5.082 637 1HA GLY 86 1HA GLY 86 28.182 4.271 6.490 638 2HA GLY 86 2HA GLY 86 27.246 5.592 7.177 639 H GLY 87 H GLY 87 25.065 5.445 7.289 640 1HA GLY 87 1HA GLY 87 23.773 3.149 5.976 641 2HA GLY 87 2HA GLY 87 23.546 3.409 7.702 642 H GLU 88 H GLU 88 21.280 3.344 6.683 643 HA GLU 88 HA GLU 88 19.550 4.501 5.483 644 1HB GLU 88 2HB GLU 88 19.881 5.431 8.322 645 2HB GLU 88 1HB GLU 88 18.392 5.531 7.390 646 1HG GLU 88 2HG GLU 88 18.036 3.577 8.473 647 2HG GLU 88 1HG GLU 88 18.820 2.971 7.030 648 H PHE 89 H PHE 89 20.628 5.761 3.924 649 HA PHE 89 HA PHE 89 21.677 8.316 4.474 650 1HB PHE 89 2HB PHE 89 20.776 7.566 1.728 651 2HB PHE 89 1HB PHE 89 22.240 8.403 2.237 652 HD1 PHE 89 1HD PHE 89 23.865 6.925 3.722 653 HD2 PHE 89 2HD PHE 89 20.963 5.393 1.012 654 HE1 PHE 89 1HE PHE 89 25.108 4.805 3.597 655 HE2 PHE 89 2HE PHE 89 22.207 3.273 0.876 656 HZ PHE 89 HZ PHE 89 24.281 2.978 2.170 657 H GLY 90 H GLY 90 19.162 7.854 2.064 658 1HA GLY 90 1HA GLY 90 17.376 9.701 3.412 659 2HA GLY 90 2HA GLY 90 18.093 10.290 1.916 660 H ASP 91 H ASP 91 15.750 8.237 3.339 661 HA ASP 91 HA ASP 91 14.873 7.367 0.675 662 1HB ASP 91 2HB ASP 91 13.856 5.404 2.028 663 2HB ASP 91 1HB ASP 91 15.566 5.374 1.639 664 H GLU 92 H GLU 92 13.352 6.949 3.758 665 HA GLU 92 HA GLU 92 11.332 7.540 4.573 666 1HB GLU 92 2HB GLU 92 11.310 9.577 2.353 667 2HB GLU 92 1HB GLU 92 9.939 9.283 3.417 668 1HG GLU 92 2HG GLU 92 10.812 10.851 4.727 669 2HG GLU 92 1HG GLU 92 12.001 9.631 5.185 670 H ASP 93 H ASP 93 10.205 5.903 4.358 671 HA ASP 93 HA ASP 93 9.816 4.443 1.978 672 1HB ASP 93 2HB ASP 93 9.919 3.496 4.314 673 2HB ASP 93 1HB ASP 93 8.256 4.046 4.526 674 H GLU 94 H GLU 94 8.787 6.998 1.589 675 HA GLU 94 HA GLU 94 6.030 7.257 1.988 676 1HB GLU 94 2HB GLU 94 8.073 8.541 0.272 677 2HB GLU 94 1HB GLU 94 6.389 8.775 -0.183 678 1HG GLU 94 2HG GLU 94 7.144 9.191 2.656 679 2HG GLU 94 1HG GLU 94 7.617 10.411 1.473 680 H ARG 95 H ARG 95 4.277 7.112 0.517 681 HA ARG 95 HA ARG 95 4.522 5.810 -2.003 682 1HB ARG 95 2HB ARG 95 4.561 4.145 0.197 683 2HB ARG 95 1HB ARG 95 2.864 4.171 -0.249 684 1HG ARG 95 2HG ARG 95 3.283 3.245 -2.350 685 2HG ARG 95 1HG ARG 95 4.992 3.670 -2.290 686 1HD ARG 95 2HD ARG 95 4.099 1.862 -0.159 687 2HD ARG 95 1HD ARG 95 3.976 1.198 -1.788 688 HE ARG 95 HE ARG 95 6.314 1.348 -2.012 689 1HH1 ARG 95 2HH1 ARG 95 5.244 2.492 1.114 690 2HH1 ARG 95 1HH1 ARG 95 6.788 2.267 1.876 691 1HH2 ARG 95 2HH2 ARG 95 8.361 1.062 -1.002 692 2HH2 ARG 95 1HH2 ARG 95 8.551 1.486 0.683 693 H LEU 96 H LEU 96 1.965 4.827 -2.255 694 HA LEU 96 HA LEU 96 0.108 6.717 -1.101 695 1HB LEU 96 2HB LEU 96 -0.905 6.557 -3.652 696 2HB LEU 96 1HB LEU 96 -0.118 7.953 -2.945 697 HG LEU 96 HG LEU 96 1.893 6.230 -3.994 698 1HD1 LEU 96 1HD1 LEU 96 0.404 5.236 -5.506 699 2HD1 LEU 96 2HD1 LEU 96 -0.447 6.752 -5.802 700 3HD1 LEU 96 3HD1 LEU 96 1.187 6.521 -6.425 701 1HD2 LEU 96 1HD2 LEU 96 1.093 8.758 -5.321 702 2HD2 LEU 96 2HD2 LEU 96 1.567 8.830 -3.622 703 3HD2 LEU 96 3HD2 LEU 96 2.690 8.191 -4.825 704 H ILE 97 H ILE 97 -2.083 5.938 -1.221 705 HA ILE 97 HA ILE 97 -2.673 3.463 -2.484 706 HB ILE 97 HB ILE 97 -3.544 2.727 0.020 707 1HG1 ILE 97 2HG1 ILE 97 -0.619 3.440 0.233 708 2HG1 ILE 97 1HG1 ILE 97 -1.912 4.378 0.972 709 1HG2 ILE 97 1HG2 ILE 97 -1.788 0.926 -0.239 710 2HG2 ILE 97 2HG2 ILE 97 -2.903 1.142 -1.593 711 3HG2 ILE 97 3HG2 ILE 97 -1.262 1.786 -1.686 712 1HD1 ILE 97 1HD1 ILE 97 -0.753 1.790 1.766 713 2HD1 ILE 97 2HD1 ILE 97 -1.410 3.096 2.753 714 3HD1 ILE 97 3HD1 ILE 97 -2.498 1.958 1.959 715 H THR 98 H THR 98 -4.705 3.564 -3.066 716 HA THR 98 HA THR 98 -6.414 5.606 -1.965 717 HB THR 98 HB THR 98 -7.842 4.085 -3.858 718 HG1 THR 98 1HG THR 98 -5.122 4.574 -4.617 719 1HG2 THR 98 1HG2 THR 98 -6.306 6.660 -4.054 720 2HG2 THR 98 2HG2 THR 98 -7.993 6.474 -3.566 721 3HG2 THR 98 3HG2 THR 98 -7.506 6.121 -5.229 722 H ARG 99 H ARG 99 -7.559 5.185 -0.221 723 HA ARG 99 HA ARG 99 -8.313 2.505 0.550 724 1HB ARG 99 2HB ARG 99 -8.778 5.250 1.687 725 2HB ARG 99 1HB ARG 99 -9.630 3.855 2.332 726 1HG ARG 99 2HG ARG 99 -6.637 4.123 2.187 727 2HG ARG 99 1HG ARG 99 -7.615 4.461 3.616 728 1HD ARG 99 2HD ARG 99 -7.786 1.811 2.239 729 2HD ARG 99 1HD ARG 99 -6.474 2.152 3.365 730 HE ARG 99 HE ARG 99 -9.231 2.554 4.267 731 1HH1 ARG 99 2HH1 ARG 99 -6.169 0.888 4.533 732 2HH1 ARG 99 1HH1 ARG 99 -6.678 -0.105 5.868 733 1HH2 ARG 99 2HH2 ARG 99 -9.916 1.259 6.018 734 2HH2 ARG 99 1HH2 ARG 99 -8.816 0.100 6.690 735 H LEU 100 H LEU 100 -9.761 1.659 -0.900 736 HA LEU 100 HA LEU 100 -12.148 3.283 -1.452 737 1HB LEU 100 2HB LEU 100 -10.460 2.196 -3.260 738 2HB LEU 100 1HB LEU 100 -11.658 0.923 -3.133 739 HG LEU 100 HG LEU 100 -13.315 2.987 -3.451 740 1HD1 LEU 100 1HD1 LEU 100 -12.386 4.884 -4.129 741 2HD1 LEU 100 2HD1 LEU 100 -10.794 4.169 -3.872 742 3HD1 LEU 100 3HD1 LEU 100 -11.570 4.046 -5.451 743 1HD2 LEU 100 1HD2 LEU 100 -13.790 1.726 -5.213 744 2HD2 LEU 100 2HD2 LEU 100 -12.412 2.418 -6.071 745 3HD2 LEU 100 3HD2 LEU 100 -12.207 0.955 -5.107 746 H GLU 101 H GLU 101 -14.059 1.964 -2.006 747 HA GLU 101 HA GLU 101 -14.402 -0.163 0.002 748 1HB GLU 101 2HB GLU 101 -16.937 0.770 -0.810 749 2HB GLU 101 1HB GLU 101 -16.153 1.025 0.744 750 1HG GLU 101 2HG GLU 101 -15.012 2.885 -1.005 751 2HG GLU 101 1HG GLU 101 -16.742 2.912 -1.335 752 H ASN 102 H ASN 102 -15.221 -2.115 -0.653 753 HA ASN 102 HA ASN 102 -15.090 -2.710 -3.444 754 1HB ASN 102 2HB ASN 102 -14.421 -4.421 -1.918 755 2HB ASN 102 1HB ASN 102 -15.950 -4.330 -1.044 756 1HD2 ASN 102 1HD2 ASN 102 -16.562 -6.403 -1.285 757 2HD2 ASN 102 2HD2 ASN 102 -16.940 -7.139 -2.816 758 H THR 103 H THR 103 -17.748 -2.792 -1.092 759 HA THR 103 HA THR 103 -19.581 -2.123 -3.291 760 HB THR 103 HB THR 103 -20.730 -3.572 -0.968 761 HG1 THR 103 1HG THR 103 -18.892 -4.846 -1.392 762 1HG2 THR 103 1HG2 THR 103 -21.585 -2.759 -3.472 763 2HG2 THR 103 2HG2 THR 103 -22.431 -3.848 -2.373 764 3HG2 THR 103 3HG2 THR 103 -21.378 -4.502 -3.629 765 H GLN 104 H GLN 104 -20.306 -2.480 0.124 766 HA GLN 104 HA GLN 104 -20.375 0.436 0.425 767 1HB GLN 104 2HB GLN 104 -22.265 -0.584 2.222 768 2HB GLN 104 1HB GLN 104 -22.589 0.346 0.765 769 1HG GLN 104 2HG GLN 104 -23.842 -1.435 0.236 770 2HG GLN 104 1HG GLN 104 -22.307 -2.098 -0.305 771 1HE2 GLN 104 1HE2 GLN 104 -24.853 -2.294 1.988 772 2HE2 GLN 104 2HE2 GLN 104 -24.277 -3.711 2.828 773 H PHE 105 H PHE 105 -20.739 -2.517 2.384 774 HA PHE 105 HA PHE 105 -18.275 -2.044 3.752 775 1HB PHE 105 2HB PHE 105 -20.215 -0.620 4.870 776 2HB PHE 105 1HB PHE 105 -20.644 -2.167 5.583 777 HD1 PHE 105 1HD PHE 105 -17.140 -1.971 5.037 778 HD2 PHE 105 2HD PHE 105 -20.241 -0.731 7.682 779 HE1 PHE 105 1HE PHE 105 -15.480 -1.614 6.813 780 HE2 PHE 105 2HE PHE 105 -18.583 -0.375 9.461 781 HZ PHE 105 HZ PHE 105 -16.200 -0.816 9.028 782 H ASP 106 H ASP 106 -20.229 -3.588 5.861 783 HA ASP 106 HA ASP 106 -20.545 -6.109 4.540 784 1HB ASP 106 2HB ASP 106 -18.088 -5.973 5.456 785 2HB ASP 106 1HB ASP 106 -18.848 -6.230 7.017 786 H ALA 107 H ALA 107 -19.973 -5.447 7.954 787 HA ALA 107 HA ALA 107 -22.877 -5.516 8.380 788 1HB ALA 107 1HB ALA 107 -21.512 -7.548 9.253 789 2HB ALA 107 2HB ALA 107 -21.038 -6.435 10.538 790 3HB ALA 107 3HB ALA 107 -22.742 -6.809 10.280 791 H ALA 108 H ALA 108 -20.152 -4.853 10.543 792 HA ALA 108 HA ALA 108 -20.468 -2.022 10.401 793 1HB ALA 108 1HB ALA 108 -22.469 -2.311 11.637 794 2HB ALA 108 2HB ALA 108 -21.687 -3.409 12.775 795 3HB ALA 108 3HB ALA 108 -21.256 -1.698 12.762 796 H ASN 109 H ASN 109 -18.895 -4.815 11.623 797 HA ASN 109 HA ASN 109 -17.263 -3.383 13.519 798 1HB ASN 109 2HB ASN 109 -18.006 -5.900 13.538 799 2HB ASN 109 1HB ASN 109 -16.552 -6.125 12.565 800 1HD2 ASN 109 1HD2 ASN 109 -15.280 -7.162 13.995 801 2HD2 ASN 109 2HD2 ASN 109 -14.775 -6.491 15.518 802 H GLY 110 H GLY 110 -16.938 -4.386 10.180 803 1HA GLY 110 1HA GLY 110 -15.433 -3.105 8.795 804 2HA GLY 110 2HA GLY 110 -14.339 -2.989 10.164 805 H ILE 111 H ILE 111 -12.552 -4.113 9.866 806 HA ILE 111 HA ILE 111 -12.152 -5.932 7.811 807 HB ILE 111 HB ILE 111 -10.535 -5.854 10.353 808 1HG1 ILE 111 2HG1 ILE 111 -9.794 -4.290 7.913 809 2HG1 ILE 111 1HG1 ILE 111 -11.014 -3.629 8.998 810 1HG2 ILE 111 1HG2 ILE 111 -10.029 -6.871 7.581 811 2HG2 ILE 111 2HG2 ILE 111 -8.696 -6.400 8.634 812 3HG2 ILE 111 3HG2 ILE 111 -9.796 -7.689 9.124 813 1HD1 ILE 111 1HD1 ILE 111 -9.334 -2.764 10.148 814 2HD1 ILE 111 2HD1 ILE 111 -8.972 -4.403 10.688 815 3HD1 ILE 111 3HD1 ILE 111 -8.141 -3.733 9.283 816 H ASP 112 H ASP 112 -12.374 -6.666 11.262 817 HA ASP 112 HA ASP 112 -13.023 -9.450 10.604 818 1HB ASP 112 2HB ASP 112 -11.318 -9.036 12.382 819 2HB ASP 112 1HB ASP 112 -12.562 -8.234 13.340 820 H ASP 113 H ASP 113 -15.007 -8.385 9.652 821 HA ASP 113 HA ASP 113 -16.933 -7.346 11.490 822 1HB ASP 113 2HB ASP 113 -16.593 -7.159 8.767 823 2HB ASP 113 1HB ASP 113 -17.983 -8.234 8.904 824 H GLU 114 H GLU 114 -19.168 -8.237 11.557 825 HA GLU 114 HA GLU 114 -19.007 -11.130 12.022 826 1HB GLU 114 2HB GLU 114 -19.910 -8.939 13.603 827 2HB GLU 114 1HB GLU 114 -21.295 -9.952 13.237 828 1HG GLU 114 2HG GLU 114 -20.239 -11.862 14.216 829 2HG GLU 114 1HG GLU 114 -18.721 -10.982 14.397 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -21.908 -7.280 -11.955 2 2H GLY 1 2H GLY 1 -22.312 -6.243 -10.677 3 3H GLY 1 3H GLY 1 -21.513 -7.702 -10.361 4 1HA GLY 1 2HA GLY 1 -20.124 -6.001 -12.221 5 2HA GLY 1 1HA GLY 1 -20.314 -5.301 -10.618 6 H SER 2 H SER 2 -17.909 -6.278 -12.024 7 HA SER 2 HA SER 2 -17.170 -8.633 -10.482 8 1HB SER 2 2HB SER 2 -14.925 -7.911 -11.867 9 2HB SER 2 1HB SER 2 -16.177 -8.989 -12.487 10 HG SER 2 HG SER 2 -15.914 -6.187 -12.916 11 H LEU 3 H LEU 3 -15.996 -8.571 -8.657 12 HA LEU 3 HA LEU 3 -15.173 -6.017 -7.597 13 1HB LEU 3 2HB LEU 3 -14.777 -8.804 -6.507 14 2HB LEU 3 1HB LEU 3 -14.426 -7.319 -5.646 15 HG LEU 3 HG LEU 3 -17.199 -7.845 -6.658 16 1HD1 LEU 3 1HD1 LEU 3 -15.883 -9.012 -4.229 17 2HD1 LEU 3 2HD1 LEU 3 -17.622 -8.733 -4.304 18 3HD1 LEU 3 3HD1 LEU 3 -16.853 -9.820 -5.459 19 1HD2 LEU 3 1HD2 LEU 3 -16.384 -5.615 -5.724 20 2HD2 LEU 3 2HD2 LEU 3 -17.851 -6.295 -5.023 21 3HD2 LEU 3 3HD2 LEU 3 -16.318 -6.428 -4.162 22 H LEU 4 H LEU 4 -12.923 -6.043 -6.484 23 HA LEU 4 HA LEU 4 -11.021 -6.237 -8.629 24 1HB LEU 4 2HB LEU 4 -10.331 -5.509 -5.807 25 2HB LEU 4 1HB LEU 4 -9.607 -4.939 -7.303 26 HG LEU 4 HG LEU 4 -12.357 -4.154 -7.256 27 1HD1 LEU 4 1HD1 LEU 4 -11.044 -4.114 -4.672 28 2HD1 LEU 4 2HD1 LEU 4 -11.531 -2.505 -5.199 29 3HD1 LEU 4 3HD1 LEU 4 -12.726 -3.796 -5.089 30 1HD2 LEU 4 1HD2 LEU 4 -11.430 -2.371 -8.208 31 2HD2 LEU 4 2HD2 LEU 4 -10.407 -2.067 -6.804 32 3HD2 LEU 4 3HD2 LEU 4 -9.879 -3.198 -8.051 33 H THR 5 H THR 5 -8.786 -7.074 -8.121 34 HA THR 5 HA THR 5 -8.817 -9.386 -6.337 35 HB THR 5 HB THR 5 -7.183 -10.239 -8.380 36 HG1 THR 5 1HG THR 5 -7.841 -9.099 -10.060 37 1HG2 THR 5 1HG2 THR 5 -9.754 -10.932 -7.222 38 2HG2 THR 5 2HG2 THR 5 -8.421 -11.974 -7.712 39 3HG2 THR 5 3HG2 THR 5 -9.607 -11.443 -8.900 40 H CYS 6 H CYS 6 -7.061 -9.485 -5.110 41 HA CYS 6 HA CYS 6 -5.115 -7.386 -5.366 42 1HB CYS 6 2HB CYS 6 -5.262 -7.484 -3.143 43 2HB CYS 6 1HB CYS 6 -6.303 -8.894 -3.265 44 H GLY 7 H GLY 7 -2.950 -7.615 -5.727 45 1HA GLY 7 1HA GLY 7 -2.180 -9.955 -7.201 46 2HA GLY 7 2HA GLY 7 -1.183 -8.540 -6.896 47 H GLY 8 H GLY 8 -2.287 -9.415 -3.958 48 1HA GLY 8 1HA GLY 8 0.240 -10.712 -3.309 49 2HA GLY 8 2HA GLY 8 -0.938 -10.084 -2.167 50 H CYS 9 H CYS 9 -3.235 -11.379 -2.895 51 HA CYS 9 HA CYS 9 -2.494 -14.208 -2.510 52 1HB CYS 9 2HB CYS 9 -4.277 -14.486 -0.954 53 2HB CYS 9 1HB CYS 9 -3.382 -13.053 -0.463 54 H GLN 10 H GLN 10 -4.514 -11.937 -4.141 55 HA GLN 10 HA GLN 10 -5.920 -12.080 -5.907 56 1HB GLN 10 2HB GLN 10 -4.241 -14.506 -6.161 57 2HB GLN 10 1HB GLN 10 -5.698 -14.447 -7.142 58 1HG GLN 10 2HG GLN 10 -3.658 -12.244 -7.111 59 2HG GLN 10 1HG GLN 10 -3.582 -13.610 -8.219 60 1HE2 GLN 10 1HE2 GLN 10 -4.235 -10.553 -8.277 61 2HE2 GLN 10 2HE2 GLN 10 -5.579 -10.491 -9.376 62 H GLN 11 H GLN 11 -6.745 -13.178 -3.195 63 HA GLN 11 HA GLN 11 -8.646 -15.254 -3.831 64 1HB GLN 11 2HB GLN 11 -9.136 -15.337 -1.546 65 2HB GLN 11 1HB GLN 11 -7.438 -14.891 -1.586 66 1HG GLN 11 2HG GLN 11 -7.865 -13.093 -0.376 67 2HG GLN 11 1HG GLN 11 -8.978 -12.507 -1.612 68 1HE2 GLN 11 1HE2 GLN 11 -10.977 -12.182 -0.979 69 2HE2 GLN 11 2HE2 GLN 11 -11.759 -12.948 0.365 70 H ASN 12 H ASN 12 -8.684 -12.230 -4.753 71 HA ASN 12 HA ASN 12 -10.279 -10.836 -5.583 72 1HB ASN 12 2HB ASN 12 -11.642 -12.922 -5.977 73 2HB ASN 12 1HB ASN 12 -12.384 -12.658 -4.403 74 1HD2 ASN 12 1HD2 ASN 12 -12.397 -11.859 -7.703 75 2HD2 ASN 12 2HD2 ASN 12 -13.647 -10.655 -7.642 76 H ILE 13 H ILE 13 -10.852 -8.924 -4.779 77 HA ILE 13 HA ILE 13 -10.898 -8.657 -1.880 78 HB ILE 13 HB ILE 13 -10.921 -6.422 -3.880 79 1HG1 ILE 13 2HG1 ILE 13 -8.390 -7.360 -2.613 80 2HG1 ILE 13 1HG1 ILE 13 -9.003 -8.244 -4.003 81 1HG2 ILE 13 1HG2 ILE 13 -10.834 -5.089 -2.108 82 2HG2 ILE 13 2HG2 ILE 13 -11.045 -6.505 -1.078 83 3HG2 ILE 13 3HG2 ILE 13 -9.421 -5.947 -1.488 84 1HD1 ILE 13 1HD1 ILE 13 -8.801 -5.297 -4.212 85 2HD1 ILE 13 2HD1 ILE 13 -7.314 -6.246 -4.258 86 3HD1 ILE 13 3HD1 ILE 13 -8.588 -6.540 -5.443 87 H GLY 14 H GLY 14 -12.839 -8.982 -1.022 88 1HA GLY 14 1HA GLY 14 -15.174 -7.745 -2.335 89 2HA GLY 14 2HA GLY 14 -15.242 -9.085 -1.192 90 H ASP 15 H ASP 15 -12.984 -7.046 0.014 91 HA ASP 15 HA ASP 15 -14.682 -6.150 2.121 92 1HB ASP 15 2HB ASP 15 -11.913 -5.114 1.515 93 2HB ASP 15 1HB ASP 15 -12.751 -5.076 3.059 94 H ARG 16 H ARG 16 -14.813 -3.854 2.779 95 HA ARG 16 HA ARG 16 -15.820 -2.320 0.559 96 1HB ARG 16 2HB ARG 16 -16.506 -0.686 2.260 97 2HB ARG 16 1HB ARG 16 -17.043 -2.311 2.653 98 1HG ARG 16 2HG ARG 16 -15.304 -2.538 4.296 99 2HG ARG 16 1HG ARG 16 -14.623 -0.976 3.839 100 1HD ARG 16 2HD ARG 16 -16.325 0.208 4.828 101 2HD ARG 16 1HD ARG 16 -17.479 -1.115 4.662 102 HE ARG 16 HE ARG 16 -15.518 -1.964 6.442 103 1HH1 ARG 16 2HH1 ARG 16 -17.921 0.592 6.279 104 2HH1 ARG 16 1HH1 ARG 16 -18.190 0.621 8.001 105 1HH2 ARG 16 2HH2 ARG 16 -15.852 -1.906 8.710 106 2HH2 ARG 16 1HH2 ARG 16 -16.990 -0.776 9.383 107 H TYR 17 H TYR 17 -12.953 -2.314 2.531 108 HA TYR 17 HA TYR 17 -11.966 -0.017 0.982 109 1HB TYR 17 2HB TYR 17 -12.476 0.069 3.676 110 2HB TYR 17 1HB TYR 17 -10.775 -0.384 3.651 111 HD1 TYR 17 1HD TYR 17 -9.170 1.293 3.503 112 HD2 TYR 17 2HD TYR 17 -13.125 2.088 2.159 113 HE1 TYR 17 1HE TYR 17 -8.561 3.644 3.117 114 HE2 TYR 17 2HE TYR 17 -12.533 4.440 1.775 115 HH TYR 17 HH TYR 17 -10.866 5.924 1.665 116 H PHE 18 H PHE 18 -9.798 -0.125 0.340 117 HA PHE 18 HA PHE 18 -8.187 -2.404 1.101 118 1HB PHE 18 2HB PHE 18 -8.145 -3.523 -0.979 119 2HB PHE 18 1HB PHE 18 -9.842 -3.231 -0.646 120 HD1 PHE 18 1HD PHE 18 -7.659 -3.405 -3.195 121 HD2 PHE 18 2HD PHE 18 -10.476 -0.647 -1.584 122 HE1 PHE 18 1HE PHE 18 -7.892 -2.353 -5.403 123 HE2 PHE 18 2HE PHE 18 -10.713 0.402 -3.793 124 HZ PHE 18 HZ PHE 18 -9.420 -0.447 -5.704 125 H LEU 19 H LEU 19 -6.343 -2.467 -0.854 126 HA LEU 19 HA LEU 19 -5.343 0.297 -1.046 127 1HB LEU 19 2HB LEU 19 -4.039 -2.224 -0.124 128 2HB LEU 19 1HB LEU 19 -3.066 -1.061 -0.996 129 HG LEU 19 HG LEU 19 -4.659 -0.091 1.321 130 1HD1 LEU 19 1HD1 LEU 19 -2.903 -0.753 2.869 131 2HD1 LEU 19 2HD1 LEU 19 -3.652 -2.167 2.130 132 3HD1 LEU 19 3HD1 LEU 19 -2.071 -1.615 1.576 133 1HD2 LEU 19 1HD2 LEU 19 -1.823 0.596 0.792 134 2HD2 LEU 19 2HD2 LEU 19 -3.032 1.166 -0.360 135 3HD2 LEU 19 3HD2 LEU 19 -3.155 1.615 1.342 136 H LYS 20 H LYS 20 -4.594 0.874 -3.067 137 HA LYS 20 HA LYS 20 -3.578 -1.069 -4.876 138 1HB LYS 20 2HB LYS 20 -5.435 -1.671 -5.951 139 2HB LYS 20 1HB LYS 20 -6.405 -0.534 -5.030 140 1HG LYS 20 2HG LYS 20 -4.968 0.872 -7.057 141 2HG LYS 20 1HG LYS 20 -5.797 -0.497 -7.774 142 1HD LYS 20 2HD LYS 20 -7.899 0.227 -6.836 143 2HD LYS 20 1HD LYS 20 -7.098 1.543 -5.974 144 1HE LYS 20 2HE LYS 20 -7.296 2.865 -7.745 145 2HE LYS 20 1HE LYS 20 -6.428 1.699 -8.742 146 1HZ LYS 20 1HZ LYS 20 -8.999 2.425 -9.096 147 2HZ LYS 20 2HZ LYS 20 -9.175 0.979 -8.226 148 3HZ LYS 20 3HZ LYS 20 -8.308 0.994 -9.685 149 H ALA 21 H ALA 21 -2.412 -0.095 -6.585 150 HA ALA 21 HA ALA 21 -2.624 2.416 -7.635 151 1HB ALA 21 1HB ALA 21 -1.363 3.957 -6.430 152 2HB ALA 21 2HB ALA 21 -2.275 3.123 -5.170 153 3HB ALA 21 3HB ALA 21 -0.584 2.707 -5.457 154 H ILE 22 H ILE 22 -0.355 0.156 -6.253 155 HA ILE 22 HA ILE 22 1.977 0.670 -7.486 156 HB ILE 22 HB ILE 22 0.666 -1.899 -6.700 157 1HG1 ILE 22 2HG1 ILE 22 2.960 -0.221 -5.707 158 2HG1 ILE 22 1HG1 ILE 22 1.448 -0.575 -4.889 159 1HG2 ILE 22 1HG2 ILE 22 3.171 -2.772 -7.049 160 2HG2 ILE 22 2HG2 ILE 22 1.907 -2.958 -8.266 161 3HG2 ILE 22 3HG2 ILE 22 3.070 -1.638 -8.396 162 1HD1 ILE 22 1HD1 ILE 22 2.241 -3.008 -4.889 163 2HD1 ILE 22 2HD1 ILE 22 3.826 -2.345 -5.281 164 3HD1 ILE 22 3HD1 ILE 22 3.021 -1.875 -3.782 165 H ASP 23 H ASP 23 -0.598 -1.328 -8.869 166 HA ASP 23 HA ASP 23 -0.394 -0.552 -11.498 167 1HB ASP 23 2HB ASP 23 1.912 -1.504 -11.431 168 2HB ASP 23 1HB ASP 23 1.235 -3.067 -10.989 169 H GLN 24 H GLN 24 -1.163 -2.665 -9.026 170 HA GLN 24 HA GLN 24 -3.503 -3.609 -10.455 171 1HB GLN 24 2HB GLN 24 -3.254 -5.892 -9.594 172 2HB GLN 24 1HB GLN 24 -1.893 -5.473 -10.621 173 1HG GLN 24 2HG GLN 24 -1.314 -4.804 -7.893 174 2HG GLN 24 1HG GLN 24 -1.836 -6.483 -8.016 175 1HE2 GLN 24 1HE2 GLN 24 0.023 -4.432 -10.232 176 2HE2 GLN 24 2HE2 GLN 24 1.421 -5.458 -10.284 177 H TYR 25 H TYR 25 -4.852 -4.870 -8.621 178 HA TYR 25 HA TYR 25 -5.073 -2.934 -6.455 179 1HB TYR 25 2HB TYR 25 -6.892 -5.296 -6.752 180 2HB TYR 25 1HB TYR 25 -7.241 -3.691 -6.107 181 HD1 TYR 25 1HD TYR 25 -8.022 -5.784 -8.671 182 HD2 TYR 25 2HD TYR 25 -6.695 -1.781 -8.052 183 HE1 TYR 25 1HE TYR 25 -8.965 -5.141 -10.851 184 HE2 TYR 25 2HE TYR 25 -7.638 -1.134 -10.230 185 HH TYR 25 HH TYR 25 -9.804 -3.015 -11.945 186 H TRP 26 H TRP 26 -5.243 -3.627 -4.261 187 HA TRP 26 HA TRP 26 -3.908 -6.174 -3.685 188 1HB TRP 26 2HB TRP 26 -3.257 -3.508 -2.394 189 2HB TRP 26 1HB TRP 26 -2.538 -5.058 -1.974 190 HD1 TRP 26 HD TRP 26 -2.298 -2.232 -4.475 191 HE1 TRP 26 1HE TRP 26 -0.258 -2.625 -5.986 192 HE3 TRP 26 3HE TRP 26 -1.137 -6.989 -3.015 193 HZ2 TRP 26 2HZ TRP 26 1.602 -4.702 -6.502 194 HZ3 TRP 26 3HZ TRP 26 0.777 -8.116 -4.074 195 HH2 TRP 26 HH TRP 26 2.120 -6.993 -5.777 196 H HIS 27 H HIS 27 -3.779 -5.827 -0.972 197 HA HIS 27 HA HIS 27 -6.598 -5.563 -0.169 198 1HB HIS 27 2HB HIS 27 -4.732 -7.814 0.169 199 2HB HIS 27 1HB HIS 27 -5.562 -7.337 1.644 200 HD2 HIS 27 2HD HIS 27 -8.531 -6.851 0.634 201 HE1 HIS 27 1HE HIS 27 -8.184 -10.692 -1.120 202 HE2 HIS 27 2HE HIS 27 -9.800 -8.983 -0.150 203 H GLU 28 H GLU 28 -6.851 -5.063 2.132 204 HA GLU 28 HA GLU 28 -5.156 -2.942 2.946 205 1HB GLU 28 2HB GLU 28 -7.614 -4.230 3.842 206 2HB GLU 28 1HB GLU 28 -6.600 -3.725 5.183 207 1HG GLU 28 2HG GLU 28 -6.518 -1.447 4.131 208 2HG GLU 28 1HG GLU 28 -7.742 -2.011 2.994 209 H ASP 29 H ASP 29 -5.360 -6.348 3.729 210 HA ASP 29 HA ASP 29 -3.223 -6.026 5.724 211 1HB ASP 29 2HB ASP 29 -5.470 -6.905 6.454 212 2HB ASP 29 1HB ASP 29 -5.174 -8.317 5.448 213 H CYS 30 H CYS 30 -3.405 -6.785 2.618 214 HA CYS 30 HA CYS 30 -1.717 -9.167 2.733 215 1HB CYS 30 2HB CYS 30 -3.351 -7.867 0.615 216 2HB CYS 30 1HB CYS 30 -1.913 -8.745 0.099 217 H LEU 31 H LEU 31 -1.668 -5.887 1.396 218 HA LEU 31 HA LEU 31 0.962 -5.979 0.417 219 1HB LEU 31 2HB LEU 31 -1.114 -4.016 0.711 220 2HB LEU 31 1HB LEU 31 0.424 -3.326 1.196 221 HG LEU 31 HG LEU 31 -0.287 -4.511 -1.483 222 1HD1 LEU 31 1HD1 LEU 31 0.934 -1.845 -1.167 223 2HD1 LEU 31 2HD1 LEU 31 -0.327 -2.399 -2.270 224 3HD1 LEU 31 3HD1 LEU 31 -0.725 -2.025 -0.593 225 1HD2 LEU 31 1HD2 LEU 31 2.412 -3.537 -0.550 226 2HD2 LEU 31 2HD2 LEU 31 1.979 -5.222 -0.827 227 3HD2 LEU 31 3HD2 LEU 31 1.998 -4.084 -2.173 228 H SER 32 H SER 32 2.727 -6.320 1.544 229 HA SER 32 HA SER 32 3.094 -4.891 4.079 230 1HB SER 32 2HB SER 32 4.092 -7.709 3.779 231 2HB SER 32 1HB SER 32 3.768 -6.797 5.253 232 HG SER 32 HG SER 32 1.668 -7.432 3.477 233 H CYS 33 H CYS 33 5.520 -5.189 4.755 234 HA CYS 33 HA CYS 33 7.211 -4.105 2.790 235 1HB CYS 33 2HB CYS 33 7.403 -5.059 5.547 236 2HB CYS 33 1HB CYS 33 8.857 -5.395 4.624 237 H ASP 34 H ASP 34 7.604 -5.224 0.936 238 HA ASP 34 HA ASP 34 7.436 -8.006 0.715 239 1HB ASP 34 2HB ASP 34 7.412 -6.111 -1.111 240 2HB ASP 34 1HB ASP 34 9.137 -6.454 -1.195 241 H LEU 35 H LEU 35 10.213 -5.885 1.031 242 HA LEU 35 HA LEU 35 12.143 -7.986 0.911 243 1HB LEU 35 2HB LEU 35 12.631 -5.663 0.273 244 2HB LEU 35 1HB LEU 35 12.387 -5.153 1.932 245 HG LEU 35 HG LEU 35 14.292 -6.979 2.352 246 1HD1 LEU 35 1HD1 LEU 35 14.327 -6.463 -0.522 247 2HD1 LEU 35 2HD1 LEU 35 15.879 -6.196 0.268 248 3HD1 LEU 35 3HD1 LEU 35 15.077 -7.760 0.407 249 1HD2 LEU 35 1HD2 LEU 35 14.439 -4.086 1.622 250 2HD2 LEU 35 2HD2 LEU 35 14.644 -4.857 3.195 251 3HD2 LEU 35 3HD2 LEU 35 15.916 -4.985 1.977 252 H CYS 36 H CYS 36 11.210 -5.814 3.558 253 HA CYS 36 HA CYS 36 12.572 -7.290 5.517 254 1HB CYS 36 2HB CYS 36 10.373 -5.323 6.080 255 2HB CYS 36 1HB CYS 36 11.840 -5.635 7.011 256 H GLY 37 H GLY 37 9.079 -6.876 5.002 257 1HA GLY 37 1HA GLY 37 7.659 -8.826 5.050 258 2HA GLY 37 2HA GLY 37 8.718 -9.510 6.275 259 H CYS 38 H CYS 38 7.841 -6.164 6.594 260 HA CYS 38 HA CYS 38 6.410 -6.822 9.016 261 1HB CYS 38 2HB CYS 38 6.352 -4.007 8.420 262 2HB CYS 38 1HB CYS 38 7.170 -4.851 9.724 263 HG CYS 38 HG CYS 38 8.404 -3.828 6.733 264 H ARG 39 H ARG 39 5.248 -4.018 7.296 265 HA ARG 39 HA ARG 39 3.136 -5.158 5.853 266 1HB ARG 39 2HB ARG 39 2.700 -5.278 8.639 267 2HB ARG 39 1HB ARG 39 1.688 -3.969 8.045 268 1HG ARG 39 2HG ARG 39 1.669 -6.598 6.639 269 2HG ARG 39 1HG ARG 39 0.768 -6.398 8.144 270 1HD ARG 39 2HD ARG 39 0.243 -4.156 6.472 271 2HD ARG 39 1HD ARG 39 0.026 -5.622 5.515 272 HE ARG 39 HE ARG 39 -1.490 -6.369 7.367 273 1HH1 ARG 39 2HH1 ARG 39 -0.993 -2.976 6.648 274 2HH1 ARG 39 1HH1 ARG 39 -2.490 -2.477 7.372 275 1HH2 ARG 39 2HH2 ARG 39 -3.462 -5.729 8.267 276 2HH2 ARG 39 1HH2 ARG 39 -3.906 -4.042 8.284 277 H LEU 40 H LEU 40 1.657 -3.586 5.021 278 HA LEU 40 HA LEU 40 2.149 -0.800 5.745 279 1HB LEU 40 2HB LEU 40 1.698 -1.146 2.871 280 2HB LEU 40 1HB LEU 40 2.807 -0.079 3.709 281 HG LEU 40 HG LEU 40 3.594 -2.913 3.725 282 1HD1 LEU 40 1HD1 LEU 40 2.969 -3.174 1.555 283 2HD1 LEU 40 2HD1 LEU 40 3.048 -1.447 1.206 284 3HD1 LEU 40 3HD1 LEU 40 4.530 -2.397 1.301 285 1HD2 LEU 40 1HD2 LEU 40 5.458 -1.026 2.609 286 2HD2 LEU 40 2HD2 LEU 40 4.771 -0.412 4.112 287 3HD2 LEU 40 3HD2 LEU 40 5.577 -1.982 4.087 288 H GLY 41 H GLY 41 0.339 0.608 4.867 289 1HA GLY 41 1HA GLY 41 -2.018 -0.369 3.771 290 2HA GLY 41 2HA GLY 41 -2.134 -0.671 5.499 291 H GLU 42 H GLU 42 -0.781 2.045 3.653 292 HA GLU 42 HA GLU 42 -2.803 3.795 4.845 293 1HB GLU 42 2HB GLU 42 -1.040 5.436 5.428 294 2HB GLU 42 1HB GLU 42 -0.898 3.936 6.333 295 1HG GLU 42 2HG GLU 42 0.638 4.052 3.834 296 2HG GLU 42 1HG GLU 42 1.151 5.171 5.095 297 H VAL 43 H VAL 43 -2.260 6.154 3.948 298 HA VAL 43 HA VAL 43 -1.642 5.936 1.081 299 HB VAL 43 HB VAL 43 -3.871 6.325 0.791 300 1HG1 VAL 43 1HG1 VAL 43 -4.857 6.210 2.838 301 2HG1 VAL 43 2HG1 VAL 43 -3.790 7.422 3.547 302 3HG1 VAL 43 3HG1 VAL 43 -5.111 7.921 2.491 303 1HG2 VAL 43 1HG2 VAL 43 -3.302 9.186 1.461 304 2HG2 VAL 43 2HG2 VAL 43 -2.484 8.399 0.113 305 3HG2 VAL 43 3HG2 VAL 43 -4.245 8.517 0.129 306 H GLY 44 H GLY 44 0.052 7.152 0.586 307 1HA GLY 44 1HA GLY 44 0.559 9.787 1.209 308 2HA GLY 44 2HA GLY 44 1.180 8.865 2.570 309 H ARG 45 H ARG 45 3.202 9.892 1.813 310 HA ARG 45 HA ARG 45 4.403 8.840 -0.608 311 1HB ARG 45 2HB ARG 45 6.470 10.032 0.651 312 2HB ARG 45 1HB ARG 45 5.334 10.889 -0.378 313 1HG ARG 45 2HG ARG 45 5.264 12.261 1.414 314 2HG ARG 45 1HG ARG 45 4.029 11.111 1.931 315 1HD ARG 45 2HD ARG 45 5.754 11.705 3.663 316 2HD ARG 45 1HD ARG 45 5.549 9.980 3.352 317 HE ARG 45 HE ARG 45 7.620 11.043 1.725 318 1HH1 ARG 45 2HH1 ARG 45 6.911 10.154 5.038 319 2HH1 ARG 45 1HH1 ARG 45 8.559 9.730 5.406 320 1HH2 ARG 45 2HH2 ARG 45 9.788 10.509 2.217 321 2HH2 ARG 45 1HH2 ARG 45 10.194 9.954 3.819 322 H ARG 46 H ARG 46 3.634 6.823 0.982 323 HA ARG 46 HA ARG 46 5.991 5.843 2.405 324 1HB ARG 46 2HB ARG 46 3.248 4.596 2.131 325 2HB ARG 46 1HB ARG 46 4.541 4.041 3.188 326 1HG ARG 46 2HG ARG 46 3.975 6.823 3.665 327 2HG ARG 46 1HG ARG 46 2.508 5.851 3.801 328 1HD ARG 46 2HD ARG 46 4.065 6.212 5.876 329 2HD ARG 46 1HD ARG 46 3.300 4.652 5.588 330 HE ARG 46 HE ARG 46 6.102 5.261 4.878 331 1HH1 ARG 46 2HH1 ARG 46 3.659 3.122 6.204 332 2HH1 ARG 46 1HH1 ARG 46 4.754 1.777 6.384 333 1HH2 ARG 46 2HH2 ARG 46 7.532 3.489 5.072 334 2HH2 ARG 46 1HH2 ARG 46 6.953 1.981 5.726 335 H LEU 47 H LEU 47 5.776 3.150 1.992 336 HA LEU 47 HA LEU 47 7.451 2.331 0.241 337 1HB LEU 47 2HB LEU 47 6.135 0.748 1.498 338 2HB LEU 47 1HB LEU 47 4.733 1.052 0.488 339 HG LEU 47 HG LEU 47 6.967 0.189 -1.130 340 1HD1 LEU 47 1HD1 LEU 47 6.418 -1.306 1.364 341 2HD1 LEU 47 2HD1 LEU 47 6.631 -2.240 -0.114 342 3HD1 LEU 47 3HD1 LEU 47 7.909 -1.156 0.436 343 1HD2 LEU 47 1HD2 LEU 47 5.083 -0.299 -2.244 344 2HD2 LEU 47 2HD2 LEU 47 5.038 -1.754 -1.247 345 3HD2 LEU 47 3HD2 LEU 47 4.114 -0.330 -0.767 346 H TYR 48 H TYR 48 8.020 2.703 -1.764 347 HA TYR 48 HA TYR 48 5.933 2.871 -3.836 348 1HB TYR 48 2HB TYR 48 8.517 3.671 -4.836 349 2HB TYR 48 1HB TYR 48 7.005 4.561 -4.855 350 HD1 TYR 48 1HD TYR 48 6.444 6.069 -2.964 351 HD2 TYR 48 2HD TYR 48 10.276 4.227 -3.321 352 HE1 TYR 48 1HE TYR 48 7.381 7.725 -1.408 353 HE2 TYR 48 2HE TYR 48 11.203 5.874 -1.753 354 HH TYR 48 HH TYR 48 10.168 8.602 -1.106 355 H TYR 49 H TYR 49 5.965 1.233 -5.316 356 HA TYR 49 HA TYR 49 7.894 -0.862 -4.840 357 1HB TYR 49 2HB TYR 49 6.396 -2.279 -5.743 358 2HB TYR 49 1HB TYR 49 5.273 -0.941 -5.510 359 HD1 TYR 49 1HD TYR 49 5.061 0.704 -7.565 360 HD2 TYR 49 2HD TYR 49 6.567 -3.267 -7.811 361 HE1 TYR 49 1HE TYR 49 4.532 0.656 -9.965 362 HE2 TYR 49 2HE TYR 49 6.041 -3.325 -10.211 363 HH TYR 49 HH TYR 49 4.494 -0.557 -11.823 364 H LYS 50 H LYS 50 9.379 -1.670 -6.276 365 HA LYS 50 HA LYS 50 10.323 0.243 -8.268 366 1HB LYS 50 2HB LYS 50 11.539 -1.753 -6.526 367 2HB LYS 50 1HB LYS 50 12.108 -1.903 -8.181 368 1HG LYS 50 2HG LYS 50 12.985 0.270 -8.199 369 2HG LYS 50 1HG LYS 50 12.078 0.730 -6.763 370 1HD LYS 50 2HD LYS 50 14.415 0.416 -6.212 371 2HD LYS 50 1HD LYS 50 13.425 -0.812 -5.417 372 1HE LYS 50 2HE LYS 50 15.296 -1.955 -6.274 373 2HE LYS 50 1HE LYS 50 13.964 -2.314 -7.373 374 1HZ LYS 50 1HZ LYS 50 14.809 -0.567 -8.856 375 2HZ LYS 50 2HZ LYS 50 15.945 -1.801 -8.612 376 3HZ LYS 50 3HZ LYS 50 16.118 -0.320 -7.810 377 H LEU 51 H LEU 51 10.953 -0.520 -10.376 378 HA LEU 51 HA LEU 51 9.204 -1.193 -12.092 379 1HB LEU 51 2HB LEU 51 11.242 -2.987 -12.893 380 2HB LEU 51 1HB LEU 51 10.921 -1.363 -13.465 381 HG LEU 51 HG LEU 51 12.270 -0.707 -11.277 382 1HD1 LEU 51 1HD1 LEU 51 12.439 -3.200 -10.721 383 2HD1 LEU 51 2HD1 LEU 51 13.642 -3.269 -12.011 384 3HD1 LEU 51 3HD1 LEU 51 13.908 -2.227 -10.613 385 1HD2 LEU 51 1HD2 LEU 51 14.106 -1.638 -13.355 386 2HD2 LEU 51 2HD2 LEU 51 12.752 -0.679 -13.957 387 3HD2 LEU 51 3HD2 LEU 51 13.827 -0.013 -12.727 388 H GLY 52 H GLY 52 10.918 -3.980 -10.685 389 1HA GLY 52 1HA GLY 52 8.489 -5.571 -11.259 390 2HA GLY 52 2HA GLY 52 10.110 -6.187 -11.532 391 H ARG 53 H ARG 53 9.633 -4.252 -8.736 392 HA ARG 53 HA ARG 53 9.155 -6.581 -7.048 393 1HB ARG 53 2HB ARG 53 11.181 -4.955 -5.789 394 2HB ARG 53 1HB ARG 53 11.175 -6.685 -6.089 395 1HG ARG 53 2HG ARG 53 11.978 -6.190 -8.417 396 2HG ARG 53 1HG ARG 53 12.176 -4.508 -7.910 397 1HD ARG 53 2HD ARG 53 13.810 -5.085 -6.306 398 2HD ARG 53 1HD ARG 53 13.439 -6.802 -6.433 399 HE ARG 53 HE ARG 53 14.730 -5.250 -8.592 400 1HH1 ARG 53 2HH1 ARG 53 14.366 -8.182 -6.694 401 2HH1 ARG 53 1HH1 ARG 53 15.679 -9.006 -7.483 402 1HH2 ARG 53 2HH2 ARG 53 16.431 -6.346 -9.655 403 2HH2 ARG 53 1HH2 ARG 53 16.828 -7.977 -9.197 404 H LYS 54 H LYS 54 7.491 -6.037 -5.815 405 HA LYS 54 HA LYS 54 6.871 -3.255 -5.283 406 1HB LYS 54 2HB LYS 54 4.975 -4.365 -3.897 407 2HB LYS 54 1HB LYS 54 4.912 -4.444 -5.650 408 1HG LYS 54 2HG LYS 54 4.961 -6.663 -5.637 409 2HG LYS 54 1HG LYS 54 6.332 -6.700 -4.525 410 1HD LYS 54 2HD LYS 54 4.853 -6.423 -2.629 411 2HD LYS 54 1HD LYS 54 3.465 -6.241 -3.703 412 1HE LYS 54 2HE LYS 54 3.216 -8.447 -3.905 413 2HE LYS 54 1HE LYS 54 4.936 -8.683 -4.231 414 1HZ LYS 54 1HZ LYS 54 3.910 -9.719 -2.127 415 2HZ LYS 54 2HZ LYS 54 3.997 -8.153 -1.485 416 3HZ LYS 54 3HZ LYS 54 5.412 -8.936 -1.998 417 H LEU 55 H LEU 55 9.166 -3.407 -4.227 418 HA LEU 55 HA LEU 55 8.868 -4.076 -1.385 419 1HB LEU 55 2HB LEU 55 10.999 -4.797 -1.331 420 2HB LEU 55 1HB LEU 55 10.742 -5.007 -3.052 421 HG LEU 55 HG LEU 55 11.843 -2.412 -2.067 422 1HD1 LEU 55 1HD1 LEU 55 13.947 -4.214 -2.807 423 2HD1 LEU 55 2HD1 LEU 55 13.755 -3.254 -1.338 424 3HD1 LEU 55 3HD1 LEU 55 13.040 -4.865 -1.440 425 1HD2 LEU 55 1HD2 LEU 55 11.400 -3.726 -4.570 426 2HD2 LEU 55 2HD2 LEU 55 11.937 -2.076 -4.254 427 3HD2 LEU 55 3HD2 LEU 55 13.121 -3.381 -4.374 428 H CYS 56 H CYS 56 10.293 -2.717 0.044 429 HA CYS 56 HA CYS 56 9.444 -0.035 0.000 430 1HB CYS 56 2HB CYS 56 11.632 -0.394 1.757 431 2HB CYS 56 1HB CYS 56 9.910 -0.464 2.151 432 H ARG 57 H ARG 57 11.039 1.832 0.231 433 HA ARG 57 HA ARG 57 13.232 1.492 -1.707 434 1HB ARG 57 2HB ARG 57 11.401 3.233 -2.155 435 2HB ARG 57 1HB ARG 57 12.132 4.152 -0.846 436 1HG ARG 57 2HG ARG 57 13.001 4.969 -2.908 437 2HG ARG 57 1HG ARG 57 14.287 4.090 -2.083 438 1HD ARG 57 2HD ARG 57 14.434 3.386 -4.304 439 2HD ARG 57 1HD ARG 57 13.570 2.082 -3.488 440 HE ARG 57 HE ARG 57 12.400 4.069 -5.321 441 1HH1 ARG 57 2HH1 ARG 57 12.091 1.127 -3.426 442 2HH1 ARG 57 1HH1 ARG 57 10.593 0.665 -4.163 443 1HH2 ARG 57 2HH2 ARG 57 10.484 3.424 -6.339 444 2HH2 ARG 57 1HH2 ARG 57 9.714 1.940 -5.873 445 H ARG 58 H ARG 58 12.353 2.921 1.397 446 HA ARG 58 HA ARG 58 15.004 3.747 2.038 447 1HB ARG 58 2HB ARG 58 12.669 3.187 3.882 448 2HB ARG 58 1HB ARG 58 14.144 4.033 4.327 449 1HG ARG 58 2HG ARG 58 12.016 4.950 2.412 450 2HG ARG 58 1HG ARG 58 12.443 5.657 3.970 451 1HD ARG 58 2HD ARG 58 14.746 6.063 2.980 452 2HD ARG 58 1HD ARG 58 14.033 5.665 1.419 453 HE ARG 58 HE ARG 58 12.480 7.569 1.841 454 1HH1 ARG 58 2HH1 ARG 58 15.551 7.423 3.512 455 2HH1 ARG 58 1HH1 ARG 58 15.709 9.153 3.641 456 1HH2 ARG 58 2HH2 ARG 58 12.672 9.859 2.033 457 2HH2 ARG 58 1HH2 ARG 58 14.078 10.534 2.812 458 H ASP 59 H ASP 59 13.131 0.829 2.540 459 HA ASP 59 HA ASP 59 15.204 -0.414 4.135 460 1HB ASP 59 2HB ASP 59 12.758 -1.661 2.857 461 2HB ASP 59 1HB ASP 59 13.780 -2.400 4.082 462 H TYR 60 H TYR 60 14.283 -0.137 0.817 463 HA TYR 60 HA TYR 60 15.821 -2.286 -0.231 464 1HB TYR 60 2HB TYR 60 14.622 -1.543 -2.009 465 2HB TYR 60 1HB TYR 60 14.399 0.051 -1.299 466 HD1 TYR 60 1HD TYR 60 16.012 1.853 -1.736 467 HD2 TYR 60 2HD TYR 60 16.407 -1.971 -3.575 468 HE1 TYR 60 1HE TYR 60 17.684 2.767 -3.285 469 HE2 TYR 60 2HE TYR 60 18.079 -1.059 -5.128 470 HH TYR 60 HH TYR 60 19.769 1.536 -4.650 471 H LEU 61 H LEU 61 16.482 1.041 0.702 472 HA LEU 61 HA LEU 61 19.043 1.240 -0.415 473 1HB LEU 61 2HB LEU 61 17.298 2.886 0.977 474 2HB LEU 61 1HB LEU 61 18.720 2.804 2.004 475 HG LEU 61 HG LEU 61 19.360 3.273 -0.810 476 1HD1 LEU 61 1HD1 LEU 61 17.118 4.440 -0.450 477 2HD1 LEU 61 2HD1 LEU 61 17.998 5.517 0.633 478 3HD1 LEU 61 3HD1 LEU 61 18.459 5.412 -1.067 479 1HD2 LEU 61 1HD2 LEU 61 21.097 3.575 0.714 480 2HD2 LEU 61 2HD2 LEU 61 20.568 5.220 0.349 481 3HD2 LEU 61 3HD2 LEU 61 20.071 4.446 1.854 482 H ARG 62 H ARG 62 18.051 -0.667 2.203 483 HA ARG 62 HA ARG 62 20.536 -0.536 3.653 484 1HB ARG 62 2HB ARG 62 18.003 -1.692 4.076 485 2HB ARG 62 1HB ARG 62 19.159 -3.018 4.062 486 1HG ARG 62 2HG ARG 62 18.747 -2.066 6.315 487 2HG ARG 62 1HG ARG 62 20.438 -2.000 5.815 488 1HD ARG 62 2HD ARG 62 18.860 0.365 5.093 489 2HD ARG 62 1HD ARG 62 19.018 0.099 6.828 490 HE ARG 62 HE ARG 62 21.541 -0.130 5.502 491 1HH1 ARG 62 2HH1 ARG 62 19.196 2.232 6.636 492 2HH1 ARG 62 1HH1 ARG 62 20.395 3.465 6.888 493 1HH2 ARG 62 2HH2 ARG 62 23.102 1.512 5.837 494 2HH2 ARG 62 1HH2 ARG 62 22.593 3.067 6.443 495 H LEU 63 H LEU 63 19.439 -2.112 0.820 496 HA LEU 63 HA LEU 63 21.895 -3.740 0.786 497 1HB LEU 63 2HB LEU 63 20.361 -4.882 -1.155 498 2HB LEU 63 1HB LEU 63 20.536 -5.487 0.479 499 HG LEU 63 HG LEU 63 18.434 -3.492 0.286 500 1HD1 LEU 63 1HD1 LEU 63 17.992 -6.036 -1.257 501 2HD1 LEU 63 2HD1 LEU 63 16.893 -4.671 -1.075 502 3HD1 LEU 63 3HD1 LEU 63 18.369 -4.494 -2.024 503 1HD2 LEU 63 1HD2 LEU 63 17.167 -5.430 1.303 504 2HD2 LEU 63 2HD2 LEU 63 18.682 -6.330 1.239 505 3HD2 LEU 63 3HD2 LEU 63 18.572 -4.856 2.202 506 H GLY 64 H GLY 64 19.660 -1.795 -1.150 507 1HA GLY 64 1HA GLY 64 21.586 -1.589 -3.336 508 2HA GLY 64 2HA GLY 64 19.984 -0.864 -3.281 509 H GLY 65 H GLY 65 22.039 -0.559 -0.573 510 1HA GLY 65 1HA GLY 65 22.282 2.321 -1.044 511 2HA GLY 65 2HA GLY 65 22.409 1.513 0.513 512 H SER 66 H SER 66 23.976 0.835 -2.569 513 HA SER 66 HA SER 66 26.331 -0.123 -1.721 514 1HB SER 66 2HB SER 66 26.831 1.507 -4.037 515 2HB SER 66 1HB SER 66 26.649 -0.245 -3.928 516 HG SER 66 HG SER 66 24.941 0.258 -5.125 517 H GLY 67 H GLY 67 25.464 3.228 -1.529 518 1HA GLY 67 1HA GLY 67 28.108 4.302 -1.389 519 2HA GLY 67 2HA GLY 67 26.633 5.101 -0.866 520 H GLY 68 H GLY 68 26.337 2.394 0.757 521 1HA GLY 68 1HA GLY 68 26.979 1.564 2.812 522 2HA GLY 68 2HA GLY 68 28.363 2.647 2.783 523 H HIS 69 H HIS 69 28.368 4.073 4.349 524 HA HIS 69 HA HIS 69 25.877 4.762 5.709 525 1HB HIS 69 2HB HIS 69 28.581 4.459 6.520 526 2HB HIS 69 1HB HIS 69 28.153 6.148 6.767 527 HD2 HIS 69 2HD HIS 69 25.106 3.998 7.343 528 HE1 HIS 69 1HE HIS 69 26.915 4.601 11.121 529 HE2 HIS 69 2HE HIS 69 24.926 3.604 9.911 530 H MET 70 H MET 70 28.501 6.199 3.876 531 HA MET 70 HA MET 70 27.722 8.896 4.063 532 1HB MET 70 2HB MET 70 29.270 7.360 1.983 533 2HB MET 70 1HB MET 70 28.982 9.088 1.844 534 1HG MET 70 2HG MET 70 29.964 8.950 4.350 535 2HG MET 70 1HG MET 70 30.814 7.607 3.588 536 1HE MET 70 1HE MET 70 33.773 9.468 3.111 537 2HE MET 70 2HE MET 70 32.871 8.019 3.556 538 3HE MET 70 3HE MET 70 33.241 8.341 1.862 539 H GLY 71 H GLY 71 27.186 6.565 1.428 540 1HA GLY 71 1HA GLY 71 25.532 6.407 -0.153 541 2HA GLY 71 2HA GLY 71 24.491 7.206 1.016 542 H SER 72 H SER 72 27.387 8.379 -0.680 543 HA SER 72 HA SER 72 25.778 10.655 -1.619 544 1HB SER 72 2HB SER 72 28.672 10.926 -1.888 545 2HB SER 72 1HB SER 72 27.518 11.985 -1.074 546 HG SER 72 HG SER 72 28.828 9.686 -0.055 547 H GLY 73 H GLY 73 25.275 8.594 -3.131 548 1HA GLY 73 1HA GLY 73 27.204 8.067 -5.165 549 2HA GLY 73 2HA GLY 73 25.525 7.551 -5.168 550 H GLY 74 H GLY 74 24.127 9.853 -5.219 551 1HA GLY 74 1HA GLY 74 23.524 11.665 -6.535 552 2HA GLY 74 2HA GLY 74 25.126 11.633 -7.264 553 H ASP 75 H ASP 75 25.530 9.705 -8.699 554 HA ASP 75 HA ASP 75 23.110 8.735 -10.037 555 1HB ASP 75 2HB ASP 75 23.867 10.618 -11.400 556 2HB ASP 75 1HB ASP 75 25.491 9.945 -11.464 557 H VAL 76 H VAL 76 23.258 6.633 -9.592 558 HA VAL 76 HA VAL 76 25.879 5.323 -9.871 559 HB VAL 76 HB VAL 76 23.642 3.953 -8.456 560 1HG1 VAL 76 1HG1 VAL 76 26.633 4.075 -8.201 561 2HG1 VAL 76 2HG1 VAL 76 25.613 3.298 -6.991 562 3HG1 VAL 76 3HG1 VAL 76 25.625 2.698 -8.649 563 1HG2 VAL 76 1HG2 VAL 76 24.599 5.121 -6.324 564 2HG2 VAL 76 2HG2 VAL 76 25.025 6.401 -7.457 565 3HG2 VAL 76 3HG2 VAL 76 23.343 5.909 -7.276 566 H MET 77 H MET 77 26.077 4.255 -11.718 567 HA MET 77 HA MET 77 23.868 3.626 -13.364 568 1HB MET 77 2HB MET 77 26.752 2.775 -13.532 569 2HB MET 77 1HB MET 77 25.558 2.507 -14.798 570 1HG MET 77 2HG MET 77 25.186 5.050 -14.649 571 2HG MET 77 1HG MET 77 26.745 5.062 -13.839 572 1HE MET 77 1HE MET 77 24.773 4.229 -17.062 573 2HE MET 77 2HE MET 77 25.269 5.920 -16.992 574 3HE MET 77 3HE MET 77 25.917 4.861 -18.245 575 H VAL 78 H VAL 78 22.450 2.191 -12.528 576 HA VAL 78 HA VAL 78 23.024 -0.573 -12.773 577 HB VAL 78 HB VAL 78 22.075 -0.897 -10.260 578 1HG1 VAL 78 1HG1 VAL 78 23.779 -2.302 -10.614 579 2HG1 VAL 78 2HG1 VAL 78 24.720 -1.107 -11.508 580 3HG1 VAL 78 3HG1 VAL 78 24.721 -1.089 -9.744 581 1HG2 VAL 78 1HG2 VAL 78 23.834 1.540 -10.155 582 2HG2 VAL 78 2HG2 VAL 78 22.212 1.326 -9.493 583 3HG2 VAL 78 3HG2 VAL 78 23.580 0.483 -8.767 584 H VAL 79 H VAL 79 20.947 -1.555 -11.143 585 HA VAL 79 HA VAL 79 18.597 -0.135 -12.222 586 HB VAL 79 HB VAL 79 18.505 -3.014 -11.335 587 1HG1 VAL 79 1HG1 VAL 79 16.826 -1.728 -13.456 588 2HG1 VAL 79 2HG1 VAL 79 16.461 -3.117 -12.433 589 3HG1 VAL 79 3HG1 VAL 79 16.448 -1.491 -11.752 590 1HG2 VAL 79 1HG2 VAL 79 18.626 -2.560 -14.229 591 2HG2 VAL 79 2HG2 VAL 79 20.137 -2.247 -13.373 592 3HG2 VAL 79 3HG2 VAL 79 19.361 -3.826 -13.244 593 H GLY 80 H GLY 80 19.959 0.687 -9.954 594 1HA GLY 80 1HA GLY 80 18.628 -0.435 -7.631 595 2HA GLY 80 2HA GLY 80 19.878 0.800 -7.625 596 H GLU 81 H GLU 81 19.202 2.939 -8.517 597 HA GLU 81 HA GLU 81 17.939 4.812 -8.369 598 1HB GLU 81 2HB GLU 81 15.941 2.727 -9.076 599 2HB GLU 81 1HB GLU 81 15.328 4.281 -8.527 600 1HG GLU 81 2HG GLU 81 15.702 5.182 -10.510 601 2HG GLU 81 1HG GLU 81 17.399 4.712 -10.444 602 HA PRO 82 HA PRO 82 16.985 4.088 -3.956 603 1HB PRO 82 2HB PRO 82 19.155 5.708 -3.129 604 2HB PRO 82 1HB PRO 82 19.088 3.946 -3.148 605 1HG PRO 82 2HG PRO 82 20.734 5.540 -4.745 606 2HG PRO 82 1HG PRO 82 20.368 3.828 -5.016 607 1HD PRO 82 2HD PRO 82 19.182 6.248 -6.298 608 2HD PRO 82 1HD PRO 82 19.528 4.651 -6.997 609 H THR 83 H THR 83 16.363 5.494 -2.226 610 HA THR 83 HA THR 83 15.125 7.940 -3.087 611 HB THR 83 HB THR 83 14.938 7.861 -0.324 612 HG1 THR 83 1HG THR 83 15.711 5.859 0.016 613 1HG2 THR 83 1HG2 THR 83 12.667 6.896 -0.778 614 2HG2 THR 83 2HG2 THR 83 13.155 6.704 -2.461 615 3HG2 THR 83 3HG2 THR 83 13.070 8.312 -1.748 616 H LEU 84 H LEU 84 15.388 9.965 -1.730 617 HA LEU 84 HA LEU 84 18.105 10.792 -1.776 618 1HB LEU 84 2HB LEU 84 15.565 12.035 -0.758 619 2HB LEU 84 1HB LEU 84 17.115 12.824 -0.535 620 HG LEU 84 HG LEU 84 17.109 12.259 -3.233 621 1HD1 LEU 84 1HD1 LEU 84 14.535 11.804 -2.595 622 2HD1 LEU 84 2HD1 LEU 84 14.474 13.539 -2.899 623 3HD1 LEU 84 3HD1 LEU 84 15.057 12.444 -4.153 624 1HD2 LEU 84 1HD2 LEU 84 17.907 14.323 -2.679 625 2HD2 LEU 84 2HD2 LEU 84 16.311 14.778 -3.274 626 3HD2 LEU 84 3HD2 LEU 84 16.600 14.646 -1.540 627 H MET 85 H MET 85 19.431 9.704 -0.386 628 HA MET 85 HA MET 85 18.733 9.771 2.475 629 1HB MET 85 2HB MET 85 19.016 7.519 1.740 630 2HB MET 85 1HB MET 85 20.516 7.913 0.909 631 1HG MET 85 2HG MET 85 20.619 8.578 3.724 632 2HG MET 85 1HG MET 85 20.257 6.878 3.450 633 1HE MET 85 1HE MET 85 21.898 5.151 2.940 634 2HE MET 85 2HE MET 85 23.627 5.446 3.126 635 3HE MET 85 3HE MET 85 22.515 5.859 4.433 636 H GLY 86 H GLY 86 21.472 10.109 0.231 637 1HA GLY 86 1HA GLY 86 22.626 12.065 2.102 638 2HA GLY 86 2HA GLY 86 23.625 10.777 1.444 639 H GLY 87 H GLY 87 23.879 10.694 -0.904 640 1HA GLY 87 1HA GLY 87 24.297 13.348 -1.984 641 2HA GLY 87 2HA GLY 87 24.737 11.827 -2.742 642 H GLU 88 H GLU 88 21.693 13.131 -1.595 643 HA GLU 88 HA GLU 88 19.573 12.793 -2.575 644 1HB GLU 88 2HB GLU 88 20.909 15.012 -4.089 645 2HB GLU 88 1HB GLU 88 19.211 14.895 -3.648 646 1HG GLU 88 2HG GLU 88 19.645 15.994 -1.783 647 2HG GLU 88 1HG GLU 88 20.699 14.678 -1.269 648 H PHE 89 H PHE 89 19.665 10.779 -3.732 649 HA PHE 89 HA PHE 89 20.205 10.912 -6.588 650 1HB PHE 89 2HB PHE 89 18.878 8.499 -5.532 651 2HB PHE 89 1HB PHE 89 20.309 8.644 -6.555 652 HD1 PHE 89 1HD PHE 89 19.106 7.832 -3.336 653 HD2 PHE 89 2HD PHE 89 22.471 9.442 -5.377 654 HE1 PHE 89 1HE PHE 89 20.525 7.311 -1.402 655 HE2 PHE 89 2HE PHE 89 23.894 8.920 -3.443 656 HZ PHE 89 HZ PHE 89 22.916 7.860 -1.453 657 H GLY 90 H GLY 90 18.049 8.979 -7.173 658 1HA GLY 90 1HA GLY 90 15.522 10.012 -6.544 659 2HA GLY 90 2HA GLY 90 16.077 10.773 -8.030 660 H ASP 91 H ASP 91 14.570 8.089 -6.685 661 HA ASP 91 HA ASP 91 15.316 6.144 -8.610 662 1HB ASP 91 2HB ASP 91 13.464 4.813 -7.726 663 2HB ASP 91 1HB ASP 91 14.450 5.466 -6.439 664 H GLU 92 H GLU 92 12.285 7.821 -8.089 665 HA GLU 92 HA GLU 92 10.755 8.746 -9.557 666 1HB GLU 92 2HB GLU 92 12.760 7.880 -11.617 667 2HB GLU 92 1HB GLU 92 11.163 8.451 -12.081 668 1HG GLU 92 2HG GLU 92 11.674 10.591 -11.685 669 2HG GLU 92 1HG GLU 92 12.552 10.209 -10.205 670 H ASP 93 H ASP 93 11.758 5.698 -9.166 671 HA ASP 93 HA ASP 93 9.599 4.327 -10.562 672 1HB ASP 93 2HB ASP 93 12.113 3.549 -9.664 673 2HB ASP 93 1HB ASP 93 11.030 2.857 -8.464 674 H GLU 94 H GLU 94 9.314 6.462 -8.490 675 HA GLU 94 HA GLU 94 8.495 5.235 -6.075 676 1HB GLU 94 2HB GLU 94 7.488 7.837 -6.057 677 2HB GLU 94 1HB GLU 94 9.011 7.286 -5.377 678 1HG GLU 94 2HG GLU 94 10.240 8.203 -7.027 679 2HG GLU 94 1HG GLU 94 9.027 7.874 -8.263 680 H ARG 95 H ARG 95 6.941 3.828 -7.481 681 HA ARG 95 HA ARG 95 4.319 5.099 -7.696 682 1HB ARG 95 2HB ARG 95 5.220 3.364 -9.375 683 2HB ARG 95 1HB ARG 95 4.876 2.174 -8.125 684 1HG ARG 95 2HG ARG 95 2.923 2.077 -9.277 685 2HG ARG 95 1HG ARG 95 2.517 3.364 -8.140 686 1HD ARG 95 2HD ARG 95 3.618 3.831 -10.906 687 2HD ARG 95 1HD ARG 95 1.900 3.840 -10.513 688 HE ARG 95 HE ARG 95 2.267 5.797 -9.183 689 1HH1 ARG 95 2HH1 ARG 95 4.973 4.823 -11.186 690 2HH1 ARG 95 1HH1 ARG 95 5.730 6.391 -11.141 691 1HH2 ARG 95 2HH2 ARG 95 3.270 7.837 -9.094 692 2HH2 ARG 95 1HH2 ARG 95 4.771 8.100 -9.939 693 H LEU 96 H LEU 96 4.011 5.574 -5.524 694 HA LEU 96 HA LEU 96 4.115 3.532 -3.517 695 1HB LEU 96 2HB LEU 96 3.110 5.323 -2.071 696 2HB LEU 96 1HB LEU 96 4.669 5.695 -2.781 697 HG LEU 96 HG LEU 96 3.195 6.849 -4.637 698 1HD1 LEU 96 1HD1 LEU 96 1.402 7.489 -2.387 699 2HD1 LEU 96 2HD1 LEU 96 1.068 7.375 -4.118 700 3HD1 LEU 96 3HD1 LEU 96 1.196 5.905 -3.146 701 1HD2 LEU 96 1HD2 LEU 96 3.809 8.833 -3.710 702 2HD2 LEU 96 2HD2 LEU 96 3.255 8.382 -2.098 703 3HD2 LEU 96 3HD2 LEU 96 4.787 7.759 -2.711 704 H ILE 97 H ILE 97 2.095 3.402 -2.015 705 HA ILE 97 HA ILE 97 -0.181 2.786 -3.771 706 HB ILE 97 HB ILE 97 -0.575 1.577 -1.246 707 1HG1 ILE 97 2HG1 ILE 97 1.659 0.037 -1.935 708 2HG1 ILE 97 1HG1 ILE 97 2.228 1.702 -1.979 709 1HG2 ILE 97 1HG2 ILE 97 -1.565 0.546 -3.036 710 2HG2 ILE 97 2HG2 ILE 97 -0.131 0.684 -4.054 711 3HG2 ILE 97 3HG2 ILE 97 -0.182 -0.514 -2.761 712 1HD1 ILE 97 1HD1 ILE 97 1.684 0.018 0.273 713 2HD1 ILE 97 2HD1 ILE 97 2.463 1.602 0.217 714 3HD1 ILE 97 3HD1 ILE 97 0.707 1.485 0.356 715 H THR 98 H THR 98 -2.304 3.103 -2.935 716 HA THR 98 HA THR 98 -2.502 5.088 -0.791 717 HB THR 98 HB THR 98 -2.689 6.088 -3.139 718 HG1 THR 98 1HG THR 98 -4.646 7.305 -2.480 719 1HG2 THR 98 1HG2 THR 98 -5.483 5.012 -3.127 720 2HG2 THR 98 2HG2 THR 98 -4.175 4.113 -3.893 721 3HG2 THR 98 3HG2 THR 98 -4.575 5.735 -4.454 722 H ARG 99 H ARG 99 -4.526 5.081 0.321 723 HA ARG 99 HA ARG 99 -5.750 2.443 0.401 724 1HB ARG 99 2HB ARG 99 -5.877 4.871 2.170 725 2HB ARG 99 1HB ARG 99 -7.068 3.589 2.326 726 1HG ARG 99 2HG ARG 99 -4.275 2.684 2.313 727 2HG ARG 99 1HG ARG 99 -4.734 3.694 3.683 728 1HD ARG 99 2HD ARG 99 -6.243 1.244 2.790 729 2HD ARG 99 1HD ARG 99 -5.038 1.257 4.077 730 HE ARG 99 HE ARG 99 -7.581 2.752 4.166 731 1HH1 ARG 99 2HH1 ARG 99 -4.944 1.124 5.776 732 2HH1 ARG 99 1HH1 ARG 99 -5.704 1.161 7.336 733 1HH2 ARG 99 2HH2 ARG 99 -8.589 2.810 6.200 734 2HH2 ARG 99 1HH2 ARG 99 -7.788 2.106 7.571 735 H LEU 100 H LEU 100 -7.619 1.993 -0.594 736 HA LEU 100 HA LEU 100 -9.203 4.275 -1.567 737 1HB LEU 100 2HB LEU 100 -7.678 2.640 -3.099 738 2HB LEU 100 1HB LEU 100 -9.218 1.804 -3.165 739 HG LEU 100 HG LEU 100 -10.049 4.296 -3.720 740 1HD1 LEU 100 1HD1 LEU 100 -8.523 5.661 -4.666 741 2HD1 LEU 100 2HD1 LEU 100 -7.412 4.770 -3.626 742 3HD1 LEU 100 3HD1 LEU 100 -7.574 4.329 -5.325 743 1HD2 LEU 100 1HD2 LEU 100 -9.679 1.892 -5.092 744 2HD2 LEU 100 2HD2 LEU 100 -10.676 3.263 -5.577 745 3HD2 LEU 100 3HD2 LEU 100 -9.010 3.142 -6.139 746 H GLU 101 H GLU 101 -11.297 3.388 -2.549 747 HA GLU 101 HA GLU 101 -12.570 1.578 -0.612 748 1HB GLU 101 2HB GLU 101 -14.663 2.850 -1.855 749 2HB GLU 101 1HB GLU 101 -14.007 3.281 -0.282 750 1HG GLU 101 2HG GLU 101 -13.185 5.212 -1.028 751 2HG GLU 101 1HG GLU 101 -12.580 4.497 -2.513 752 H ASN 102 H ASN 102 -13.850 -0.071 -1.398 753 HA ASN 102 HA ASN 102 -13.124 -1.280 -3.797 754 1HB ASN 102 2HB ASN 102 -14.258 -2.329 -1.758 755 2HB ASN 102 1HB ASN 102 -15.780 -1.734 -2.420 756 1HD2 ASN 102 1HD2 ASN 102 -14.163 -4.422 -2.067 757 2HD2 ASN 102 2HD2 ASN 102 -14.530 -5.255 -3.549 758 H THR 103 H THR 103 -16.519 -0.504 -3.299 759 HA THR 103 HA THR 103 -16.587 1.181 -5.648 760 HB THR 103 HB THR 103 -18.612 -1.045 -5.534 761 HG1 THR 103 1HG THR 103 -16.587 -2.110 -5.647 762 1HG2 THR 103 1HG2 THR 103 -17.682 -0.152 -8.129 763 2HG2 THR 103 2HG2 THR 103 -18.254 1.195 -7.145 764 3HG2 THR 103 3HG2 THR 103 -19.318 -0.174 -7.469 765 H GLN 104 H GLN 104 -19.671 0.165 -5.125 766 HA GLN 104 HA GLN 104 -20.202 2.372 -3.273 767 1HB GLN 104 2HB GLN 104 -22.665 1.399 -3.999 768 2HB GLN 104 1HB GLN 104 -21.838 2.739 -4.778 769 1HG GLN 104 2HG GLN 104 -22.505 1.360 -6.534 770 2HG GLN 104 1HG GLN 104 -20.797 0.992 -6.309 771 1HE2 GLN 104 1HE2 GLN 104 -24.014 -0.188 -6.156 772 2HE2 GLN 104 2HE2 GLN 104 -23.628 -1.837 -5.753 773 H PHE 105 H PHE 105 -18.965 0.148 -2.189 774 HA PHE 105 HA PHE 105 -20.895 -1.647 -1.061 775 1HB PHE 105 2HB PHE 105 -18.519 -2.275 -1.578 776 2HB PHE 105 1HB PHE 105 -18.018 -1.272 -0.221 777 HD1 PHE 105 1HD PHE 105 -19.260 -1.817 2.058 778 HD2 PHE 105 2HD PHE 105 -18.852 -4.516 -1.215 779 HE1 PHE 105 1HE PHE 105 -19.585 -3.723 3.585 780 HE2 PHE 105 2HE PHE 105 -19.194 -6.420 0.307 781 HZ PHE 105 HZ PHE 105 -19.559 -6.023 2.710 782 H ASP 106 H ASP 106 -18.526 0.407 0.604 783 HA ASP 106 HA ASP 106 -19.649 0.274 3.105 784 1HB ASP 106 2HB ASP 106 -17.407 1.337 2.296 785 2HB ASP 106 1HB ASP 106 -18.338 2.820 2.184 786 H ALA 107 H ALA 107 -19.709 3.318 1.376 787 HA ALA 107 HA ALA 107 -22.508 3.487 1.186 788 1HB ALA 107 1HB ALA 107 -21.546 4.171 3.726 789 2HB ALA 107 2HB ALA 107 -21.889 5.703 2.923 790 3HB ALA 107 3HB ALA 107 -23.154 4.485 3.075 791 H ALA 108 H ALA 108 -20.270 3.767 -0.446 792 HA ALA 108 HA ALA 108 -19.976 6.630 -0.937 793 1HB ALA 108 1HB ALA 108 -18.453 4.460 -2.337 794 2HB ALA 108 2HB ALA 108 -17.987 6.137 -2.047 795 3HB ALA 108 3HB ALA 108 -18.013 4.987 -0.712 796 H ASN 109 H ASN 109 -21.050 7.576 -2.518 797 HA ASN 109 HA ASN 109 -22.012 5.919 -4.755 798 1HB ASN 109 2HB ASN 109 -23.635 7.141 -2.884 799 2HB ASN 109 1HB ASN 109 -23.617 8.308 -4.202 800 1HD2 ASN 109 1HD2 ASN 109 -25.970 7.278 -3.675 801 2HD2 ASN 109 2HD2 ASN 109 -26.437 6.085 -4.851 802 H GLY 110 H GLY 110 -19.619 7.662 -4.318 803 1HA GLY 110 1HA GLY 110 -18.826 8.588 -6.579 804 2HA GLY 110 2HA GLY 110 -20.131 9.741 -6.339 805 H ILE 111 H ILE 111 -19.943 10.384 -3.712 806 HA ILE 111 HA ILE 111 -17.272 11.619 -3.591 807 HB ILE 111 HB ILE 111 -19.597 12.644 -2.001 808 1HG1 ILE 111 2HG1 ILE 111 -19.119 13.977 -4.583 809 2HG1 ILE 111 1HG1 ILE 111 -19.819 12.367 -4.719 810 1HG2 ILE 111 1HG2 ILE 111 -17.053 13.804 -3.108 811 2HG2 ILE 111 2HG2 ILE 111 -18.358 14.811 -2.474 812 3HG2 ILE 111 3HG2 ILE 111 -17.550 13.648 -1.421 813 1HD1 ILE 111 1HD1 ILE 111 -21.183 13.860 -2.689 814 2HD1 ILE 111 2HD1 ILE 111 -21.140 14.770 -4.198 815 3HD1 ILE 111 3HD1 ILE 111 -21.814 13.141 -4.168 816 H ASP 112 H ASP 112 -17.258 9.110 -2.739 817 HA ASP 112 HA ASP 112 -16.641 7.755 -1.029 818 1HB ASP 112 2HB ASP 112 -15.391 10.076 -0.483 819 2HB ASP 112 1HB ASP 112 -16.411 9.967 0.947 820 H ASP 113 H ASP 113 -17.088 8.019 1.764 821 HA ASP 113 HA ASP 113 -19.874 7.307 1.918 822 1HB ASP 113 2HB ASP 113 -18.519 6.091 3.414 823 2HB ASP 113 1HB ASP 113 -17.637 7.527 3.926 824 H GLU 114 H GLU 114 -21.093 9.037 1.400 825 HA GLU 114 HA GLU 114 -20.489 11.647 2.333 826 1HB GLU 114 2HB GLU 114 -22.127 10.463 0.344 827 2HB GLU 114 1HB GLU 114 -23.162 11.463 1.349 828 1HG GLU 114 2HG GLU 114 -21.333 13.262 1.021 829 2HG GLU 114 1HG GLU 114 -20.834 12.258 -0.340 Start of MODEL 13 1 1H GLY 1 1H GLY 1 -20.737 -1.418 -9.831 2 2H GLY 1 2H GLY 1 -21.172 -1.818 -11.421 3 3H GLY 1 3H GLY 1 -21.309 -0.216 -10.882 4 1HA GLY 1 2HA GLY 1 -19.381 -0.251 -12.187 5 2HA GLY 1 1HA GLY 1 -18.848 -0.226 -10.510 6 H SER 2 H SER 2 -16.992 -1.044 -12.152 7 HA SER 2 HA SER 2 -17.057 -3.840 -12.739 8 1HB SER 2 2HB SER 2 -14.494 -2.313 -12.511 9 2HB SER 2 1HB SER 2 -14.989 -3.503 -13.718 10 HG SER 2 HG SER 2 -16.484 -1.893 -14.503 11 H LEU 3 H LEU 3 -15.726 -5.473 -11.771 12 HA LEU 3 HA LEU 3 -15.787 -5.341 -8.916 13 1HB LEU 3 2HB LEU 3 -14.984 -7.429 -10.912 14 2HB LEU 3 1HB LEU 3 -14.618 -7.650 -9.218 15 HG LEU 3 HG LEU 3 -16.811 -8.636 -10.326 16 1HD1 LEU 3 1HD1 LEU 3 -15.891 -8.236 -7.764 17 2HD1 LEU 3 2HD1 LEU 3 -17.529 -7.581 -7.730 18 3HD1 LEU 3 3HD1 LEU 3 -17.255 -9.245 -8.245 19 1HD2 LEU 3 1HD2 LEU 3 -17.479 -6.172 -10.860 20 2HD2 LEU 3 2HD2 LEU 3 -18.690 -7.328 -10.312 21 3HD2 LEU 3 3HD2 LEU 3 -18.008 -6.164 -9.176 22 H LEU 4 H LEU 4 -13.822 -6.218 -7.671 23 HA LEU 4 HA LEU 4 -11.340 -5.063 -8.686 24 1HB LEU 4 2HB LEU 4 -11.119 -3.556 -7.118 25 2HB LEU 4 1HB LEU 4 -12.862 -3.686 -7.019 26 HG LEU 4 HG LEU 4 -11.298 -5.506 -5.355 27 1HD1 LEU 4 1HD1 LEU 4 -10.427 -2.959 -5.531 28 2HD1 LEU 4 2HD1 LEU 4 -11.608 -2.811 -4.225 29 3HD1 LEU 4 3HD1 LEU 4 -10.274 -3.957 -4.082 30 1HD2 LEU 4 1HD2 LEU 4 -13.041 -5.009 -3.737 31 2HD2 LEU 4 2HD2 LEU 4 -13.683 -3.746 -4.791 32 3HD2 LEU 4 3HD2 LEU 4 -13.755 -5.434 -5.293 33 H THR 5 H THR 5 -9.545 -6.048 -8.191 34 HA THR 5 HA THR 5 -9.692 -8.460 -6.504 35 HB THR 5 HB THR 5 -7.883 -9.103 -8.496 36 HG1 THR 5 1HG THR 5 -10.173 -8.128 -9.858 37 1HG2 THR 5 1HG2 THR 5 -10.593 -9.877 -7.694 38 2HG2 THR 5 2HG2 THR 5 -9.191 -10.881 -8.070 39 3HG2 THR 5 3HG2 THR 5 -10.203 -10.255 -9.373 40 H CYS 6 H CYS 6 -7.695 -9.160 -5.600 41 HA CYS 6 HA CYS 6 -5.772 -7.004 -5.255 42 1HB CYS 6 2HB CYS 6 -6.041 -7.760 -3.145 43 2HB CYS 6 1HB CYS 6 -6.681 -9.309 -3.679 44 H GLY 7 H GLY 7 -3.666 -7.136 -5.884 45 1HA GLY 7 1HA GLY 7 -3.121 -8.775 -8.129 46 2HA GLY 7 2HA GLY 7 -1.980 -7.698 -7.338 47 H GLY 8 H GLY 8 -2.787 -9.407 -4.808 48 1HA GLY 8 1HA GLY 8 -0.617 -11.336 -5.245 49 2HA GLY 8 2HA GLY 8 -1.263 -10.845 -3.687 50 H CYS 9 H CYS 9 -4.005 -11.197 -4.305 51 HA CYS 9 HA CYS 9 -4.098 -14.124 -4.169 52 1HB CYS 9 2HB CYS 9 -6.232 -12.097 -3.509 53 2HB CYS 9 1HB CYS 9 -6.306 -13.823 -3.194 54 H GLN 10 H GLN 10 -6.135 -11.539 -5.454 55 HA GLN 10 HA GLN 10 -7.293 -11.272 -7.381 56 1HB GLN 10 2HB GLN 10 -5.476 -13.457 -8.118 57 2HB GLN 10 1HB GLN 10 -6.973 -13.406 -9.037 58 1HG GLN 10 2HG GLN 10 -5.668 -10.809 -8.749 59 2HG GLN 10 1HG GLN 10 -4.709 -12.006 -9.618 60 1HE2 GLN 10 1HE2 GLN 10 -6.858 -13.428 -10.782 61 2HE2 GLN 10 2HE2 GLN 10 -7.571 -12.402 -11.990 62 H GLN 11 H GLN 11 -8.156 -12.808 -4.990 63 HA GLN 11 HA GLN 11 -10.110 -14.702 -6.023 64 1HB GLN 11 2HB GLN 11 -10.606 -15.211 -3.775 65 2HB GLN 11 1HB GLN 11 -8.873 -14.922 -3.781 66 1HG GLN 11 2HG GLN 11 -10.771 -12.703 -3.123 67 2HG GLN 11 1HG GLN 11 -10.313 -13.881 -1.897 68 1HE2 GLN 11 1HE2 GLN 11 -8.411 -13.810 -0.961 69 2HE2 GLN 11 2HE2 GLN 11 -7.177 -12.648 -1.331 70 H ASN 12 H ASN 12 -9.847 -11.434 -5.675 71 HA ASN 12 HA ASN 12 -11.343 -9.736 -6.132 72 1HB ASN 12 2HB ASN 12 -13.025 -11.628 -6.865 73 2HB ASN 12 1HB ASN 12 -13.729 -11.331 -5.279 74 1HD2 ASN 12 1HD2 ASN 12 -14.928 -9.530 -4.948 75 2HD2 ASN 12 2HD2 ASN 12 -15.259 -8.350 -6.178 76 H ILE 13 H ILE 13 -11.386 -8.191 -4.691 77 HA ILE 13 HA ILE 13 -11.101 -8.857 -1.915 78 HB ILE 13 HB ILE 13 -11.291 -6.100 -3.097 79 1HG1 ILE 13 2HG1 ILE 13 -8.656 -7.376 -2.574 80 2HG1 ILE 13 1HG1 ILE 13 -9.527 -7.890 -4.014 81 1HG2 ILE 13 1HG2 ILE 13 -10.914 -7.086 -0.458 82 2HG2 ILE 13 2HG2 ILE 13 -9.423 -6.294 -0.977 83 3HG2 ILE 13 3HG2 ILE 13 -10.955 -5.415 -1.019 84 1HD1 ILE 13 1HD1 ILE 13 -8.892 -5.020 -3.387 85 2HD1 ILE 13 2HD1 ILE 13 -7.865 -6.070 -4.366 86 3HD1 ILE 13 3HD1 ILE 13 -9.505 -5.678 -4.914 87 H GLY 14 H GLY 14 -12.709 -9.118 -0.550 88 1HA GLY 14 1HA GLY 14 -15.228 -7.657 -1.067 89 2HA GLY 14 2HA GLY 14 -15.181 -9.337 -0.544 90 H ASP 15 H ASP 15 -12.737 -7.668 0.985 91 HA ASP 15 HA ASP 15 -14.067 -7.831 3.510 92 1HB ASP 15 2HB ASP 15 -11.386 -6.694 2.722 93 2HB ASP 15 1HB ASP 15 -11.991 -6.653 4.370 94 H ARG 16 H ARG 16 -13.460 -5.739 4.984 95 HA ARG 16 HA ARG 16 -15.280 -3.722 3.966 96 1HB ARG 16 2HB ARG 16 -14.926 -2.717 6.286 97 2HB ARG 16 1HB ARG 16 -15.730 -4.275 6.204 98 1HG ARG 16 2HG ARG 16 -14.254 -5.057 7.650 99 2HG ARG 16 1HG ARG 16 -12.993 -4.826 6.438 100 1HD ARG 16 2HD ARG 16 -12.919 -2.399 7.254 101 2HD ARG 16 1HD ARG 16 -13.845 -2.973 8.640 102 HE ARG 16 HE ARG 16 -11.695 -4.675 8.462 103 1HH1 ARG 16 2HH1 ARG 16 -12.130 -1.210 8.790 104 2HH1 ARG 16 1HH1 ARG 16 -10.695 -0.995 9.751 105 1HH2 ARG 16 2HH2 ARG 16 -9.779 -4.387 9.707 106 2HH2 ARG 16 1HH2 ARG 16 -9.342 -2.784 10.238 107 H TYR 17 H TYR 17 -11.879 -4.106 4.509 108 HA TYR 17 HA TYR 17 -11.416 -1.370 3.538 109 1HB TYR 17 2HB TYR 17 -11.172 -2.058 6.199 110 2HB TYR 17 1HB TYR 17 -9.535 -2.290 5.603 111 HD1 TYR 17 1HD TYR 17 -8.194 -0.504 6.176 112 HD2 TYR 17 2HD TYR 17 -12.192 0.257 4.946 113 HE1 TYR 17 1HE TYR 17 -7.799 1.913 6.405 114 HE2 TYR 17 2HE TYR 17 -11.810 2.675 5.165 115 HH TYR 17 HH TYR 17 -10.427 4.264 5.924 116 H PHE 18 H PHE 18 -9.392 -1.137 2.432 117 HA PHE 18 HA PHE 18 -7.622 -3.397 2.198 118 1HB PHE 18 2HB PHE 18 -8.002 -3.987 -0.046 119 2HB PHE 18 1HB PHE 18 -9.605 -3.890 0.665 120 HD1 PHE 18 1HD PHE 18 -10.710 -1.447 0.431 121 HD2 PHE 18 2HD PHE 18 -7.699 -3.068 -2.101 122 HE1 PHE 18 1HE PHE 18 -11.400 0.080 -1.359 123 HE2 PHE 18 2HE PHE 18 -8.372 -1.524 -3.891 124 HZ PHE 18 HZ PHE 18 -10.226 0.048 -3.520 125 H LEU 19 H LEU 19 -6.169 -2.865 0.060 126 HA LEU 19 HA LEU 19 -5.487 -0.008 0.158 127 1HB LEU 19 2HB LEU 19 -3.710 -2.366 0.682 128 2HB LEU 19 1HB LEU 19 -3.039 -0.902 -0.009 129 HG LEU 19 HG LEU 19 -4.616 -0.814 2.543 130 1HD1 LEU 19 1HD1 LEU 19 -2.750 -2.500 2.682 131 2HD1 LEU 19 2HD1 LEU 19 -1.636 -1.162 2.390 132 3HD1 LEU 19 3HD1 LEU 19 -2.661 -1.159 3.824 133 1HD2 LEU 19 1HD2 LEU 19 -2.480 0.990 2.499 134 2HD2 LEU 19 2HD2 LEU 19 -3.193 1.048 0.889 135 3HD2 LEU 19 3HD2 LEU 19 -4.196 1.350 2.308 136 H LYS 20 H LYS 20 -4.576 0.810 -1.733 137 HA LYS 20 HA LYS 20 -3.821 -0.882 -3.910 138 1HB LYS 20 2HB LYS 20 -5.764 -1.000 -5.031 139 2HB LYS 20 1HB LYS 20 -6.569 -0.144 -3.729 140 1HG LYS 20 2HG LYS 20 -5.114 1.488 -5.724 141 2HG LYS 20 1HG LYS 20 -6.590 0.698 -6.250 142 1HD LYS 20 2HD LYS 20 -6.394 2.447 -3.804 143 2HD LYS 20 1HD LYS 20 -6.925 3.013 -5.390 144 1HE LYS 20 2HE LYS 20 -8.235 0.722 -3.943 145 2HE LYS 20 1HE LYS 20 -8.750 2.395 -3.748 146 1HZ LYS 20 1HZ LYS 20 -9.601 0.637 -5.677 147 2HZ LYS 20 2HZ LYS 20 -8.541 1.684 -6.503 148 3HZ LYS 20 3HZ LYS 20 -9.861 2.316 -5.647 149 H ALA 21 H ALA 21 -2.702 0.409 -5.586 150 HA ALA 21 HA ALA 21 -2.737 3.203 -5.682 151 1HB ALA 21 1HB ALA 21 -1.771 2.899 -3.348 152 2HB ALA 21 2HB ALA 21 -0.309 2.324 -4.150 153 3HB ALA 21 3HB ALA 21 -0.890 3.962 -4.447 154 H ILE 22 H ILE 22 -0.544 0.432 -5.870 155 HA ILE 22 HA ILE 22 1.395 1.424 -7.508 156 HB ILE 22 HB ILE 22 0.296 -1.389 -7.642 157 1HG1 ILE 22 2HG1 ILE 22 2.254 -0.056 -5.775 158 2HG1 ILE 22 1HG1 ILE 22 0.811 -0.974 -5.366 159 1HG2 ILE 22 1HG2 ILE 22 1.826 -1.706 -9.215 160 2HG2 ILE 22 2HG2 ILE 22 2.451 -0.071 -9.013 161 3HG2 ILE 22 3HG2 ILE 22 3.068 -1.381 -8.005 162 1HD1 ILE 22 1HD1 ILE 22 3.538 -1.879 -5.862 163 2HD1 ILE 22 2HD1 ILE 22 2.236 -2.632 -4.940 164 3HD1 ILE 22 3HD1 ILE 22 2.306 -2.832 -6.693 165 H ASP 23 H ASP 23 -1.467 -0.347 -8.603 166 HA ASP 23 HA ASP 23 -2.118 1.126 -10.839 167 1HB ASP 23 2HB ASP 23 0.123 0.512 -11.717 168 2HB ASP 23 1HB ASP 23 -0.289 -1.190 -11.553 169 H GLN 24 H GLN 24 -2.309 -1.397 -8.787 170 HA GLN 24 HA GLN 24 -4.799 -2.292 -9.927 171 1HB GLN 24 2HB GLN 24 -4.317 -4.632 -9.803 172 2HB GLN 24 1HB GLN 24 -3.040 -3.895 -10.757 173 1HG GLN 24 2HG GLN 24 -2.284 -3.927 -8.003 174 2HG GLN 24 1HG GLN 24 -2.795 -5.538 -8.499 175 1HE2 GLN 24 1HE2 GLN 24 -1.027 -2.893 -10.078 176 2HE2 GLN 24 2HE2 GLN 24 0.331 -3.861 -10.564 177 H TYR 25 H TYR 25 -5.903 -3.744 -8.242 178 HA TYR 25 HA TYR 25 -5.646 -2.340 -5.717 179 1HB TYR 25 2HB TYR 25 -7.667 -4.480 -6.339 180 2HB TYR 25 1HB TYR 25 -7.783 -3.167 -5.170 181 HD1 TYR 25 1HD TYR 25 -7.281 -0.764 -6.524 182 HD2 TYR 25 2HD TYR 25 -9.177 -4.257 -8.036 183 HE1 TYR 25 1HE TYR 25 -8.467 0.606 -8.184 184 HE2 TYR 25 2HE TYR 25 -10.373 -2.894 -9.704 185 HH TYR 25 HH TYR 25 -10.349 -0.819 -10.759 186 H TRP 26 H TRP 26 -5.627 -3.460 -3.687 187 HA TRP 26 HA TRP 26 -4.454 -6.151 -3.788 188 1HB TRP 26 2HB TRP 26 -3.363 -3.850 -2.145 189 2HB TRP 26 1HB TRP 26 -2.743 -5.496 -2.171 190 HD1 TRP 26 HD TRP 26 -2.754 -2.267 -4.203 191 HE1 TRP 26 1HE TRP 26 -0.941 -2.432 -6.017 192 HE3 TRP 26 3HE TRP 26 -1.487 -7.170 -3.606 193 HZ2 TRP 26 2HZ TRP 26 0.818 -4.398 -7.052 194 HZ3 TRP 26 3HZ TRP 26 0.269 -8.125 -5.039 195 HH2 TRP 26 HH TRP 26 1.399 -6.763 -6.727 196 H HIS 27 H HIS 27 -3.897 -6.354 -1.135 197 HA HIS 27 HA HIS 27 -6.481 -5.949 0.226 198 1HB HIS 27 2HB HIS 27 -4.560 -8.249 0.299 199 2HB HIS 27 1HB HIS 27 -5.405 -7.826 1.781 200 HD2 HIS 27 2HD HIS 27 -8.379 -7.622 1.142 201 HE1 HIS 27 1HE HIS 27 -7.950 -11.074 -1.299 202 HE2 HIS 27 2HE HIS 27 -9.569 -9.669 0.071 203 H GLU 28 H GLU 28 -6.094 -5.656 2.656 204 HA GLU 28 HA GLU 28 -4.305 -3.525 3.067 205 1HB GLU 28 2HB GLU 28 -6.227 -5.071 4.648 206 2HB GLU 28 1HB GLU 28 -4.878 -4.456 5.586 207 1HG GLU 28 2HG GLU 28 -5.845 -2.393 3.867 208 2HG GLU 28 1HG GLU 28 -7.191 -3.092 4.766 209 H ASP 29 H ASP 29 -4.181 -6.904 4.196 210 HA ASP 29 HA ASP 29 -1.484 -6.533 5.147 211 1HB ASP 29 2HB ASP 29 -1.801 -8.484 6.338 212 2HB ASP 29 1HB ASP 29 -3.430 -7.859 6.258 213 H CYS 30 H CYS 30 -2.627 -6.980 2.196 214 HA CYS 30 HA CYS 30 -0.834 -9.120 1.393 215 1HB CYS 30 2HB CYS 30 -3.150 -7.739 0.184 216 2HB CYS 30 1HB CYS 30 -1.915 -8.328 -0.927 217 H LEU 31 H LEU 31 -1.252 -5.665 0.801 218 HA LEU 31 HA LEU 31 1.055 -5.497 -0.886 219 1HB LEU 31 2HB LEU 31 -1.068 -3.791 -0.195 220 2HB LEU 31 1HB LEU 31 0.391 -2.983 0.350 221 HG LEU 31 HG LEU 31 -0.277 -3.857 -2.456 222 1HD1 LEU 31 1HD1 LEU 31 0.552 -1.121 -1.602 223 2HD1 LEU 31 2HD1 LEU 31 -0.429 -1.625 -2.979 224 3HD1 LEU 31 3HD1 LEU 31 -1.110 -1.656 -1.355 225 1HD2 LEU 31 1HD2 LEU 31 2.336 -2.938 -1.286 226 2HD2 LEU 31 2HD2 LEU 31 2.012 -4.375 -2.257 227 3HD2 LEU 31 3HD2 LEU 31 1.954 -2.776 -3.000 228 H SER 32 H SER 32 2.541 -6.623 0.451 229 HA SER 32 HA SER 32 3.564 -5.070 2.723 230 1HB SER 32 2HB SER 32 4.327 -7.922 2.173 231 2HB SER 32 1HB SER 32 4.262 -7.062 3.713 232 HG SER 32 HG SER 32 2.080 -7.242 3.747 233 H CYS 33 H CYS 33 5.951 -5.235 3.043 234 HA CYS 33 HA CYS 33 7.299 -4.394 0.688 235 1HB CYS 33 2HB CYS 33 7.830 -4.546 3.574 236 2HB CYS 33 1HB CYS 33 9.252 -4.728 2.562 237 H ASP 34 H ASP 34 9.422 -5.262 0.076 238 HA ASP 34 HA ASP 34 9.323 -8.102 -0.376 239 1HB ASP 34 2HB ASP 34 10.260 -6.349 -1.983 240 2HB ASP 34 1HB ASP 34 11.660 -6.274 -0.922 241 H LEU 35 H LEU 35 11.429 -5.862 1.360 242 HA LEU 35 HA LEU 35 12.765 -8.097 2.670 243 1HB LEU 35 2HB LEU 35 13.996 -6.134 1.705 244 2HB LEU 35 1HB LEU 35 13.312 -5.155 2.985 245 HG LEU 35 HG LEU 35 14.395 -6.754 4.622 246 1HD1 LEU 35 1HD1 LEU 35 16.298 -7.487 2.456 247 2HD1 LEU 35 2HD1 LEU 35 15.905 -8.337 3.951 248 3HD1 LEU 35 3HD1 LEU 35 14.791 -8.397 2.585 249 1HD2 LEU 35 1HD2 LEU 35 16.772 -5.772 3.908 250 2HD2 LEU 35 2HD2 LEU 35 15.741 -4.779 2.876 251 3HD2 LEU 35 3HD2 LEU 35 15.504 -4.775 4.624 252 H CYS 36 H CYS 36 11.403 -4.991 3.778 253 HA CYS 36 HA CYS 36 11.297 -5.555 6.467 254 1HB CYS 36 2HB CYS 36 9.195 -3.920 5.058 255 2HB CYS 36 1HB CYS 36 9.840 -3.694 6.683 256 H GLY 37 H GLY 37 8.519 -5.678 4.273 257 1HA GLY 37 1HA GLY 37 6.861 -7.311 4.123 258 2HA GLY 37 2HA GLY 37 7.588 -8.135 5.499 259 H CYS 38 H CYS 38 7.431 -5.226 6.723 260 HA CYS 38 HA CYS 38 4.990 -5.779 8.138 261 1HB CYS 38 2HB CYS 38 6.384 -3.213 8.608 262 2HB CYS 38 1HB CYS 38 5.826 -4.423 9.762 263 HG CYS 38 HG CYS 38 8.002 -6.184 9.141 264 H ARG 39 H ARG 39 5.998 -2.548 7.060 265 HA ARG 39 HA ARG 39 3.503 -2.336 5.533 266 1HB ARG 39 2HB ARG 39 4.181 -0.874 7.952 267 2HB ARG 39 1HB ARG 39 3.877 0.207 6.599 268 1HG ARG 39 2HG ARG 39 2.018 -1.849 7.765 269 2HG ARG 39 1HG ARG 39 1.823 -0.095 7.744 270 1HD ARG 39 2HD ARG 39 1.131 -0.060 5.585 271 2HD ARG 39 1HD ARG 39 2.142 -1.430 5.126 272 HE ARG 39 HE ARG 39 0.462 -2.902 5.881 273 1HH1 ARG 39 2HH1 ARG 39 -0.468 0.473 6.179 274 2HH1 ARG 39 1HH1 ARG 39 -2.163 0.103 6.318 275 1HH2 ARG 39 2HH2 ARG 39 -1.744 -3.368 6.036 276 2HH2 ARG 39 1HH2 ARG 39 -2.903 -2.081 6.215 277 H LEU 40 H LEU 40 3.609 -0.048 4.335 278 HA LEU 40 HA LEU 40 6.068 -0.259 2.806 279 1HB LEU 40 2HB LEU 40 3.587 1.339 2.199 280 2HB LEU 40 1HB LEU 40 4.924 1.041 1.107 281 HG LEU 40 HG LEU 40 2.815 -0.865 2.040 282 1HD1 LEU 40 1HD1 LEU 40 2.203 0.210 0.056 283 2HD1 LEU 40 2HD1 LEU 40 3.837 0.118 -0.600 284 3HD1 LEU 40 3HD1 LEU 40 2.856 -1.340 -0.469 285 1HD2 LEU 40 1HD2 LEU 40 4.031 -2.726 1.157 286 2HD2 LEU 40 2HD2 LEU 40 5.358 -1.677 0.651 287 3HD2 LEU 40 3HD2 LEU 40 5.036 -1.928 2.367 288 H GLY 41 H GLY 41 4.261 2.109 4.665 289 1HA GLY 41 1HA GLY 41 6.029 3.648 5.818 290 2HA GLY 41 2HA GLY 41 6.327 4.131 4.147 291 H GLU 42 H GLU 42 3.749 4.013 3.176 292 HA GLU 42 HA GLU 42 1.880 5.252 2.884 293 1HB GLU 42 2HB GLU 42 1.961 4.752 5.835 294 2HB GLU 42 1HB GLU 42 0.657 5.703 5.136 295 1HG GLU 42 2HG GLU 42 -0.384 3.768 4.835 296 2HG GLU 42 1HG GLU 42 0.743 3.504 3.505 297 H VAL 43 H VAL 43 4.398 6.770 3.190 298 HA VAL 43 HA VAL 43 3.134 9.353 3.685 299 HB VAL 43 HB VAL 43 4.244 9.028 5.762 300 1HG1 VAL 43 1HG1 VAL 43 6.821 8.670 5.708 301 2HG1 VAL 43 2HG1 VAL 43 5.737 7.289 5.543 302 3HG1 VAL 43 3HG1 VAL 43 6.503 7.986 4.114 303 1HG2 VAL 43 1HG2 VAL 43 6.432 10.633 4.807 304 2HG2 VAL 43 2HG2 VAL 43 4.918 11.106 4.038 305 3HG2 VAL 43 3HG2 VAL 43 5.047 11.094 5.796 306 H GLY 44 H GLY 44 3.112 9.977 1.608 307 1HA GLY 44 1HA GLY 44 5.172 11.189 0.332 308 2HA GLY 44 2HA GLY 44 5.362 9.503 -0.132 309 H ARG 45 H ARG 45 4.954 11.218 -2.130 310 HA ARG 45 HA ARG 45 2.087 10.976 -2.759 311 1HB ARG 45 2HB ARG 45 2.150 13.007 -3.723 312 2HB ARG 45 1HB ARG 45 3.630 13.217 -2.803 313 1HG ARG 45 2HG ARG 45 4.196 11.924 -5.305 314 2HG ARG 45 1HG ARG 45 3.285 13.411 -5.571 315 1HD ARG 45 2HD ARG 45 5.935 13.050 -4.212 316 2HD ARG 45 1HD ARG 45 5.540 14.052 -5.607 317 HE ARG 45 HE ARG 45 4.050 15.213 -3.737 318 1HH1 ARG 45 2HH1 ARG 45 7.368 14.104 -3.633 319 2HH1 ARG 45 1HH1 ARG 45 7.872 15.297 -2.471 320 1HH2 ARG 45 2HH2 ARG 45 4.696 16.787 -2.198 321 2HH2 ARG 45 1HH2 ARG 45 6.344 16.803 -1.636 322 H ARG 46 H ARG 46 4.775 9.279 -3.232 323 HA ARG 46 HA ARG 46 3.897 8.357 -5.881 324 1HB ARG 46 2HB ARG 46 6.783 8.479 -4.994 325 2HB ARG 46 1HB ARG 46 6.184 7.960 -6.563 326 1HG ARG 46 2HG ARG 46 5.148 10.492 -6.307 327 2HG ARG 46 1HG ARG 46 6.743 10.626 -5.566 328 1HD ARG 46 2HD ARG 46 7.240 11.059 -7.773 329 2HD ARG 46 1HD ARG 46 7.518 9.320 -7.693 330 HE ARG 46 HE ARG 46 5.618 8.955 -8.979 331 1HH1 ARG 46 2HH1 ARG 46 6.054 12.370 -8.288 332 2HH1 ARG 46 1HH1 ARG 46 4.812 12.877 -9.397 333 1HH2 ARG 46 2HH2 ARG 46 4.035 9.618 -10.458 334 2HH2 ARG 46 1HH2 ARG 46 3.671 11.308 -10.654 335 H LEU 47 H LEU 47 4.865 6.146 -6.357 336 HA LEU 47 HA LEU 47 5.354 4.505 -4.015 337 1HB LEU 47 2HB LEU 47 2.847 4.424 -4.657 338 2HB LEU 47 1HB LEU 47 3.379 3.544 -6.077 339 HG LEU 47 HG LEU 47 4.109 2.602 -3.312 340 1HD1 LEU 47 1HD1 LEU 47 1.599 2.942 -3.638 341 2HD1 LEU 47 2HD1 LEU 47 1.702 1.624 -4.806 342 3HD1 LEU 47 3HD1 LEU 47 2.151 1.348 -3.124 343 1HD2 LEU 47 1HD2 LEU 47 3.629 0.980 -5.796 344 2HD2 LEU 47 2HD2 LEU 47 5.199 1.697 -5.434 345 3HD2 LEU 47 3HD2 LEU 47 4.491 0.518 -4.328 346 H TYR 48 H TYR 48 7.128 3.425 -4.443 347 HA TYR 48 HA TYR 48 7.716 2.773 -7.245 348 1HB TYR 48 2HB TYR 48 9.510 4.086 -7.112 349 2HB TYR 48 1HB TYR 48 9.073 4.517 -5.466 350 HD1 TYR 48 1HD TYR 48 11.077 2.246 -7.539 351 HD2 TYR 48 2HD TYR 48 10.301 3.667 -3.598 352 HE1 TYR 48 1HE TYR 48 13.134 1.156 -6.752 353 HE2 TYR 48 2HE TYR 48 12.353 2.565 -2.803 354 HH TYR 48 HH TYR 48 13.825 0.709 -3.474 355 H TYR 49 H TYR 49 8.738 0.867 -7.696 356 HA TYR 49 HA TYR 49 9.556 -0.909 -5.550 357 1HB TYR 49 2HB TYR 49 8.203 -2.782 -6.234 358 2HB TYR 49 1HB TYR 49 7.139 -1.417 -5.888 359 HD1 TYR 49 1HD TYR 49 6.011 -0.232 -7.720 360 HD2 TYR 49 2HD TYR 49 8.338 -3.726 -8.438 361 HE1 TYR 49 1HE TYR 49 4.942 -0.482 -9.918 362 HE2 TYR 49 2HE TYR 49 7.275 -3.979 -10.644 363 HH TYR 49 HH TYR 49 6.081 -2.190 -12.339 364 H LYS 50 H LYS 50 10.843 -2.717 -6.406 365 HA LYS 50 HA LYS 50 12.429 -1.757 -8.615 366 1HB LYS 50 2HB LYS 50 12.999 -3.131 -6.284 367 2HB LYS 50 1HB LYS 50 13.213 -4.348 -7.529 368 1HG LYS 50 2HG LYS 50 15.306 -3.236 -7.069 369 2HG LYS 50 1HG LYS 50 14.764 -2.866 -8.707 370 1HD LYS 50 2HD LYS 50 14.015 -0.695 -8.042 371 2HD LYS 50 1HD LYS 50 14.290 -1.064 -6.337 372 1HE LYS 50 2HE LYS 50 16.450 -0.521 -6.476 373 2HE LYS 50 1HE LYS 50 16.672 -1.467 -7.946 374 1HZ LYS 50 1HZ LYS 50 15.766 1.344 -7.703 375 2HZ LYS 50 2HZ LYS 50 15.572 0.450 -9.132 376 3HZ LYS 50 3HZ LYS 50 17.128 0.748 -8.524 377 H LEU 51 H LEU 51 13.329 -3.499 -10.109 378 HA LEU 51 HA LEU 51 11.276 -4.251 -11.846 379 1HB LEU 51 2HB LEU 51 13.250 -5.489 -13.023 380 2HB LEU 51 1HB LEU 51 13.173 -3.744 -13.003 381 HG LEU 51 HG LEU 51 15.436 -4.922 -12.582 382 1HD1 LEU 51 1HD1 LEU 51 15.818 -2.765 -12.267 383 2HD1 LEU 51 2HD1 LEU 51 14.274 -2.517 -11.452 384 3HD1 LEU 51 3HD1 LEU 51 15.665 -3.109 -10.543 385 1HD2 LEU 51 1HD2 LEU 51 15.281 -6.434 -10.906 386 2HD2 LEU 51 2HD2 LEU 51 15.651 -5.018 -9.923 387 3HD2 LEU 51 3HD2 LEU 51 13.980 -5.565 -10.085 388 H GLY 52 H GLY 52 10.479 -5.568 -9.745 389 1HA GLY 52 1HA GLY 52 9.558 -7.912 -10.248 390 2HA GLY 52 2HA GLY 52 11.247 -8.392 -10.141 391 H ARG 53 H ARG 53 10.913 -5.937 -8.030 392 HA ARG 53 HA ARG 53 10.034 -7.674 -5.830 393 1HB ARG 53 2HB ARG 53 12.393 -5.806 -5.622 394 2HB ARG 53 1HB ARG 53 11.856 -6.988 -4.437 395 1HG ARG 53 2HG ARG 53 12.324 -8.461 -6.748 396 2HG ARG 53 1HG ARG 53 13.648 -7.297 -6.669 397 1HD ARG 53 2HD ARG 53 14.590 -8.342 -4.933 398 2HD ARG 53 1HD ARG 53 13.051 -8.496 -4.086 399 HE ARG 53 HE ARG 53 13.751 -10.333 -6.284 400 1HH1 ARG 53 2HH1 ARG 53 12.895 -9.772 -2.925 401 2HH1 ARG 53 1HH1 ARG 53 12.694 -11.465 -2.568 402 1HH2 ARG 53 2HH2 ARG 53 13.437 -12.551 -5.821 403 2HH2 ARG 53 1HH2 ARG 53 12.974 -13.036 -4.215 404 H LYS 54 H LYS 54 8.409 -6.754 -4.794 405 HA LYS 54 HA LYS 54 7.916 -3.893 -5.076 406 1HB LYS 54 2HB LYS 54 6.326 -5.723 -3.293 407 2HB LYS 54 1HB LYS 54 5.798 -4.284 -4.151 408 1HG LYS 54 2HG LYS 54 5.568 -5.405 -6.158 409 2HG LYS 54 1HG LYS 54 6.664 -6.702 -5.674 410 1HD LYS 54 2HD LYS 54 4.428 -6.580 -3.876 411 2HD LYS 54 1HD LYS 54 3.857 -6.680 -5.543 412 1HE LYS 54 2HE LYS 54 4.369 -8.839 -5.631 413 2HE LYS 54 1HE LYS 54 6.043 -8.487 -5.188 414 1HZ LYS 54 1HZ LYS 54 5.589 -8.780 -2.941 415 2HZ LYS 54 2HZ LYS 54 4.700 -10.025 -3.677 416 3HZ LYS 54 3HZ LYS 54 3.915 -8.622 -3.141 417 H LEU 55 H LEU 55 10.069 -3.647 -4.010 418 HA LEU 55 HA LEU 55 9.965 -3.795 -1.094 419 1HB LEU 55 2HB LEU 55 12.257 -3.830 -1.101 420 2HB LEU 55 1HB LEU 55 11.928 -4.597 -2.638 421 HG LEU 55 HG LEU 55 12.756 -1.715 -2.237 422 1HD1 LEU 55 1HD1 LEU 55 14.860 -2.386 -2.431 423 2HD1 LEU 55 2HD1 LEU 55 14.282 -4.039 -2.220 424 3HD1 LEU 55 3HD1 LEU 55 14.482 -3.376 -3.842 425 1HD2 LEU 55 1HD2 LEU 55 11.298 -1.936 -4.168 426 2HD2 LEU 55 2HD2 LEU 55 12.962 -1.651 -4.678 427 3HD2 LEU 55 3HD2 LEU 55 12.274 -3.273 -4.773 428 H CYS 56 H CYS 56 11.066 -1.812 0.005 429 HA CYS 56 HA CYS 56 9.850 0.581 -1.187 430 1HB CYS 56 2HB CYS 56 9.971 1.641 0.988 431 2HB CYS 56 1HB CYS 56 9.124 0.106 1.122 432 H ARG 57 H ARG 57 11.201 2.543 -0.099 433 HA ARG 57 HA ARG 57 13.715 2.484 -1.521 434 1HB ARG 57 2HB ARG 57 12.724 4.551 -1.744 435 2HB ARG 57 1HB ARG 57 12.089 4.540 -0.104 436 1HG ARG 57 2HG ARG 57 13.748 5.859 0.510 437 2HG ARG 57 1HG ARG 57 14.885 4.558 0.147 438 1HD ARG 57 2HD ARG 57 15.659 5.644 -1.618 439 2HD ARG 57 1HD ARG 57 14.032 5.854 -2.264 440 HE ARG 57 HE ARG 57 15.583 7.781 -0.771 441 1HH1 ARG 57 2HH1 ARG 57 12.437 6.926 -2.058 442 2HH1 ARG 57 1HH1 ARG 57 11.699 8.423 -1.564 443 1HH2 ARG 57 2HH2 ARG 57 14.625 9.770 -0.196 444 2HH2 ARG 57 1HH2 ARG 57 12.936 10.041 -0.508 445 H ARG 58 H ARG 58 12.574 2.320 1.770 446 HA ARG 58 HA ARG 58 15.109 2.850 2.969 447 1HB ARG 58 2HB ARG 58 12.751 1.476 4.258 448 2HB ARG 58 1HB ARG 58 14.059 2.324 5.064 449 1HG ARG 58 2HG ARG 58 11.704 3.420 3.604 450 2HG ARG 58 1HG ARG 58 12.339 3.839 5.193 451 1HD ARG 58 2HD ARG 58 14.167 4.374 2.959 452 2HD ARG 58 1HD ARG 58 12.682 5.325 2.939 453 HE ARG 58 HE ARG 58 14.333 5.225 5.367 454 1HH1 ARG 58 2HH1 ARG 58 12.856 7.029 2.739 455 2HH1 ARG 58 1HH1 ARG 58 13.339 8.582 3.379 456 1HH2 ARG 58 2HH2 ARG 58 14.886 7.259 6.239 457 2HH2 ARG 58 1HH2 ARG 58 14.461 8.706 5.380 458 H ASP 59 H ASP 59 13.237 -0.106 2.354 459 HA ASP 59 HA ASP 59 15.375 -1.732 3.410 460 1HB ASP 59 2HB ASP 59 14.003 -3.606 3.114 461 2HB ASP 59 1HB ASP 59 12.905 -2.320 3.569 462 H TYR 60 H TYR 60 14.866 -0.139 0.563 463 HA TYR 60 HA TYR 60 16.342 -1.956 -1.143 464 1HB TYR 60 2HB TYR 60 15.124 -0.699 -2.587 465 2HB TYR 60 1HB TYR 60 14.952 0.623 -1.446 466 HD1 TYR 60 1HD TYR 60 16.517 2.479 -1.446 467 HD2 TYR 60 2HD TYR 60 16.969 -0.765 -4.177 468 HE1 TYR 60 1HE TYR 60 18.082 3.824 -2.774 469 HE2 TYR 60 2HE TYR 60 18.554 0.577 -5.501 470 HH TYR 60 HH TYR 60 19.686 2.491 -5.648 471 H LEU 61 H LEU 61 16.840 0.956 0.761 472 HA LEU 61 HA LEU 61 19.574 1.320 0.087 473 1HB LEU 61 2HB LEU 61 17.667 2.785 1.385 474 2HB LEU 61 1HB LEU 61 18.662 2.252 2.725 475 HG LEU 61 HG LEU 61 19.103 4.520 1.372 476 1HD1 LEU 61 1HD1 LEU 61 21.460 2.934 2.299 477 2HD1 LEU 61 2HD1 LEU 61 21.110 4.648 2.511 478 3HD1 LEU 61 3HD1 LEU 61 20.212 3.444 3.439 479 1HD2 LEU 61 1HD2 LEU 61 20.515 4.373 -0.403 480 2HD2 LEU 61 2HD2 LEU 61 21.218 2.849 0.138 481 3HD2 LEU 61 3HD2 LEU 61 19.630 2.865 -0.629 482 H ARG 62 H ARG 62 17.989 0.132 3.021 483 HA ARG 62 HA ARG 62 19.735 -2.076 3.268 484 1HB ARG 62 2HB ARG 62 21.108 -0.087 4.151 485 2HB ARG 62 1HB ARG 62 20.009 -0.088 5.518 486 1HG ARG 62 2HG ARG 62 21.790 -1.363 6.275 487 2HG ARG 62 1HG ARG 62 20.633 -2.583 5.738 488 1HD ARG 62 2HD ARG 62 22.915 -3.091 5.000 489 2HD ARG 62 1HD ARG 62 21.828 -2.821 3.637 490 HE ARG 62 HE ARG 62 23.575 -0.663 4.625 491 1HH1 ARG 62 2HH1 ARG 62 22.530 -2.811 2.063 492 2HH1 ARG 62 1HH1 ARG 62 23.372 -1.946 0.814 493 1HH2 ARG 62 2HH2 ARG 62 24.704 0.475 2.983 494 2HH2 ARG 62 1HH2 ARG 62 24.624 -0.093 1.339 495 H LEU 63 H LEU 63 18.645 -0.595 6.227 496 HA LEU 63 HA LEU 63 16.351 -2.398 6.214 497 1HB LEU 63 2HB LEU 63 16.413 -2.244 8.670 498 2HB LEU 63 1HB LEU 63 17.845 -2.959 7.979 499 HG LEU 63 HG LEU 63 18.707 -1.691 9.664 500 1HD1 LEU 63 1HD1 LEU 63 20.232 -0.737 8.441 501 2HD1 LEU 63 2HD1 LEU 63 19.087 -0.438 7.134 502 3HD1 LEU 63 3HD1 LEU 63 19.230 0.714 8.462 503 1HD2 LEU 63 1HD2 LEU 63 17.922 0.314 10.557 504 2HD2 LEU 63 2HD2 LEU 63 16.968 0.650 9.114 505 3HD2 LEU 63 3HD2 LEU 63 16.499 -0.660 10.195 506 H GLY 64 H GLY 64 17.372 0.820 7.322 507 1HA GLY 64 1HA GLY 64 14.598 1.727 6.833 508 2HA GLY 64 2HA GLY 64 15.561 2.295 8.186 509 H GLY 65 H GLY 65 17.478 1.875 5.532 510 1HA GLY 65 1HA GLY 65 18.841 3.488 4.524 511 2HA GLY 65 2HA GLY 65 17.355 3.613 3.620 512 H SER 66 H SER 66 18.104 4.792 6.867 513 HA SER 66 HA SER 66 16.949 7.337 6.309 514 1HB SER 66 2HB SER 66 18.627 7.322 8.661 515 2HB SER 66 1HB SER 66 16.870 7.446 8.547 516 HG SER 66 HG SER 66 16.675 5.366 8.915 517 H GLY 67 H GLY 67 20.256 6.185 6.813 518 1HA GLY 67 1HA GLY 67 21.209 8.564 5.364 519 2HA GLY 67 2HA GLY 67 21.917 8.160 6.922 520 H GLY 68 H GLY 68 21.513 5.227 6.136 521 1HA GLY 68 1HA GLY 68 22.614 3.606 4.875 522 2HA GLY 68 2HA GLY 68 23.425 4.883 3.981 523 H HIS 69 H HIS 69 25.033 6.158 5.322 524 HA HIS 69 HA HIS 69 26.390 4.477 7.308 525 1HB HIS 69 2HB HIS 69 27.288 4.585 4.732 526 2HB HIS 69 1HB HIS 69 28.186 5.907 5.465 527 HD2 HIS 69 2HD HIS 69 27.475 2.548 7.351 528 HE1 HIS 69 1HE HIS 69 31.625 2.936 6.628 529 HE2 HIS 69 2HE HIS 69 29.811 1.441 7.574 530 H MET 70 H MET 70 26.698 7.568 5.582 531 HA MET 70 HA MET 70 27.793 8.882 7.884 532 1HB MET 70 2HB MET 70 26.731 10.114 5.338 533 2HB MET 70 1HB MET 70 27.762 10.899 6.525 534 1HG MET 70 2HG MET 70 29.426 9.010 6.011 535 2HG MET 70 1HG MET 70 28.445 8.745 4.570 536 1HE MET 70 1HE MET 70 28.990 11.785 2.392 537 2HE MET 70 2HE MET 70 28.801 10.031 2.376 538 3HE MET 70 3HE MET 70 27.616 11.037 3.210 539 H GLY 71 H GLY 71 24.924 9.780 5.976 540 1HA GLY 71 1HA GLY 71 22.905 9.585 7.741 541 2HA GLY 71 2HA GLY 71 23.750 11.012 8.325 542 H SER 72 H SER 72 24.385 12.507 6.330 543 HA SER 72 HA SER 72 21.949 12.788 4.689 544 1HB SER 72 2HB SER 72 23.525 15.234 5.121 545 2HB SER 72 1HB SER 72 21.781 14.984 5.218 546 HG SER 72 HG SER 72 22.255 13.909 7.293 547 H GLY 73 H GLY 73 23.423 11.253 3.437 548 1HA GLY 73 1HA GLY 73 25.775 12.058 2.205 549 2HA GLY 73 2HA GLY 73 24.661 10.865 1.555 550 H GLY 74 H GLY 74 26.050 13.853 1.129 551 1HA GLY 74 1HA GLY 74 24.676 14.290 -1.349 552 2HA GLY 74 2HA GLY 74 24.283 15.492 -0.124 553 H ASP 75 H ASP 75 25.569 17.212 0.016 554 HA ASP 75 HA ASP 75 28.107 17.214 -1.422 555 1HB ASP 75 2HB ASP 75 26.562 19.181 -1.516 556 2HB ASP 75 1HB ASP 75 26.849 19.435 0.203 557 H VAL 76 H VAL 76 29.435 15.890 -0.284 558 HA VAL 76 HA VAL 76 30.250 16.815 2.384 559 HB VAL 76 HB VAL 76 30.173 13.865 1.861 560 1HG1 VAL 76 1HG1 VAL 76 30.368 15.675 4.196 561 2HG1 VAL 76 2HG1 VAL 76 29.552 14.130 4.430 562 3HG1 VAL 76 3HG1 VAL 76 31.217 14.169 3.852 563 1HG2 VAL 76 1HG2 VAL 76 27.961 13.754 1.745 564 2HG2 VAL 76 2HG2 VAL 76 27.880 14.446 3.365 565 3HG2 VAL 76 3HG2 VAL 76 27.819 15.500 1.952 566 H MET 77 H MET 77 32.408 15.952 2.999 567 HA MET 77 HA MET 77 34.330 16.462 1.110 568 1HB MET 77 2HB MET 77 34.387 15.013 3.724 569 2HB MET 77 1HB MET 77 35.839 15.112 2.734 570 1HG MET 77 2HG MET 77 35.098 17.676 2.700 571 2HG MET 77 1HG MET 77 34.429 17.197 4.249 572 1HE MET 77 1HE MET 77 36.706 17.277 6.629 573 2HE MET 77 2HE MET 77 35.433 16.236 5.993 574 3HE MET 77 3HE MET 77 37.089 15.637 6.106 575 H VAL 78 H VAL 78 34.620 15.426 -0.739 576 HA VAL 78 HA VAL 78 34.897 13.804 -2.303 577 HB VAL 78 HB VAL 78 36.175 12.159 -0.125 578 1HG1 VAL 78 1HG1 VAL 78 37.438 11.183 -1.820 579 2HG1 VAL 78 2HG1 VAL 78 35.839 11.342 -2.547 580 3HG1 VAL 78 3HG1 VAL 78 37.111 12.495 -2.953 581 1HG2 VAL 78 1HG2 VAL 78 38.247 13.539 -1.162 582 2HG2 VAL 78 2HG2 VAL 78 36.983 14.769 -1.229 583 3HG2 VAL 78 3HG2 VAL 78 37.394 14.011 0.309 584 H VAL 79 H VAL 79 32.570 13.449 -2.330 585 HA VAL 79 HA VAL 79 31.730 10.907 -1.149 586 HB VAL 79 HB VAL 79 29.488 11.796 -2.259 587 1HG1 VAL 79 1HG1 VAL 79 29.960 11.273 0.138 588 2HG1 VAL 79 2HG1 VAL 79 30.469 12.950 0.335 589 3HG1 VAL 79 3HG1 VAL 79 28.806 12.580 -0.121 590 1HG2 VAL 79 1HG2 VAL 79 29.374 13.948 -2.809 591 2HG2 VAL 79 2HG2 VAL 79 30.244 14.447 -1.357 592 3HG2 VAL 79 3HG2 VAL 79 31.137 13.932 -2.790 593 H GLY 80 H GLY 80 32.612 12.450 -4.079 594 1HA GLY 80 1HA GLY 80 32.946 11.468 -6.180 595 2HA GLY 80 2HA GLY 80 32.129 10.016 -5.611 596 H GLU 81 H GLU 81 30.353 12.578 -4.652 597 HA GLU 81 HA GLU 81 28.240 13.211 -5.115 598 1HB GLU 81 2HB GLU 81 29.964 13.996 -7.364 599 2HB GLU 81 1HB GLU 81 28.235 14.064 -7.690 600 1HG GLU 81 2HG GLU 81 28.507 16.146 -6.841 601 2HG GLU 81 1HG GLU 81 28.215 15.272 -5.340 602 HA PRO 82 HA PRO 82 26.838 9.449 -7.368 603 1HB PRO 82 2HB PRO 82 26.031 7.960 -5.312 604 2HB PRO 82 1HB PRO 82 27.750 8.115 -5.676 605 1HG PRO 82 2HG PRO 82 26.142 9.445 -3.542 606 2HG PRO 82 1HG PRO 82 27.800 8.823 -3.478 607 1HD PRO 82 2HD PRO 82 27.039 11.491 -3.902 608 2HD PRO 82 1HD PRO 82 28.652 10.806 -4.171 609 H THR 83 H THR 83 24.554 8.511 -5.365 610 HA THR 83 HA THR 83 22.478 10.103 -6.545 611 HB THR 83 HB THR 83 21.435 8.521 -4.444 612 HG1 THR 83 1HG THR 83 22.415 6.532 -4.785 613 1HG2 THR 83 1HG2 THR 83 21.465 7.328 -7.121 614 2HG2 THR 83 2HG2 THR 83 20.918 9.006 -7.081 615 3HG2 THR 83 3HG2 THR 83 20.100 7.788 -6.101 616 H LEU 84 H LEU 84 23.238 12.158 -5.633 617 HA LEU 84 HA LEU 84 23.290 12.554 -2.811 618 1HB LEU 84 2HB LEU 84 22.945 14.793 -4.768 619 2HB LEU 84 1HB LEU 84 23.860 14.763 -3.272 620 HG LEU 84 HG LEU 84 24.952 12.849 -5.128 621 1HD1 LEU 84 1HD1 LEU 84 23.842 14.768 -6.593 622 2HD1 LEU 84 2HD1 LEU 84 25.349 15.585 -6.179 623 3HD1 LEU 84 3HD1 LEU 84 25.388 14.030 -7.010 624 1HD2 LEU 84 1HD2 LEU 84 26.939 14.468 -4.797 625 2HD2 LEU 84 2HD2 LEU 84 25.892 15.240 -3.607 626 3HD2 LEU 84 3HD2 LEU 84 26.341 13.547 -3.418 627 H MET 85 H MET 85 21.405 12.081 -1.822 628 HA MET 85 HA MET 85 19.090 13.745 -2.521 629 1HB MET 85 2HB MET 85 19.241 11.096 -3.149 630 2HB MET 85 1HB MET 85 18.463 11.034 -1.574 631 1HG MET 85 2HG MET 85 16.836 12.753 -2.471 632 2HG MET 85 1HG MET 85 17.515 12.413 -4.060 633 1HE MET 85 1HE MET 85 13.986 11.004 -3.915 634 2HE MET 85 2HE MET 85 14.196 11.215 -2.178 635 3HE MET 85 3HE MET 85 14.761 12.459 -3.292 636 H GLY 86 H GLY 86 21.139 13.817 -0.347 637 1HA GLY 86 1HA GLY 86 21.144 14.435 1.862 638 2HA GLY 86 2HA GLY 86 19.402 14.606 1.720 639 H GLY 87 H GLY 87 21.692 11.875 1.692 640 1HA GLY 87 1HA GLY 87 21.906 10.176 3.259 641 2HA GLY 87 2HA GLY 87 20.544 10.851 4.138 642 H GLU 88 H GLU 88 18.437 10.700 2.615 643 HA GLU 88 HA GLU 88 18.080 7.852 2.295 644 1HB GLU 88 2HB GLU 88 15.818 9.599 1.628 645 2HB GLU 88 1HB GLU 88 15.891 8.207 2.700 646 1HG GLU 88 2HG GLU 88 16.923 9.599 4.425 647 2HG GLU 88 1HG GLU 88 16.826 10.985 3.347 648 H PHE 89 H PHE 89 19.625 7.987 0.374 649 HA PHE 89 HA PHE 89 18.580 9.110 -2.044 650 1HB PHE 89 2HB PHE 89 20.502 7.103 -2.638 651 2HB PHE 89 1HB PHE 89 20.636 8.849 -2.794 652 HD1 PHE 89 1HD PHE 89 21.501 10.181 -0.911 653 HD2 PHE 89 2HD PHE 89 21.595 5.936 -0.886 654 HE1 PHE 89 1HE PHE 89 23.197 10.236 0.876 655 HE2 PHE 89 2HE PHE 89 23.279 5.972 0.910 656 HZ PHE 89 HZ PHE 89 24.081 8.127 1.793 657 H GLY 90 H GLY 90 17.612 8.127 -3.707 658 1HA GLY 90 1HA GLY 90 17.469 5.435 -4.246 659 2HA GLY 90 2HA GLY 90 16.095 5.760 -3.200 660 H ASP 91 H ASP 91 14.335 6.675 -3.990 661 HA ASP 91 HA ASP 91 14.287 7.206 -6.864 662 1HB ASP 91 2HB ASP 91 11.867 6.703 -6.682 663 2HB ASP 91 1HB ASP 91 12.870 5.365 -6.139 664 H GLU 92 H GLU 92 11.598 8.254 -4.969 665 HA GLU 92 HA GLU 92 12.585 10.990 -4.808 666 1HB GLU 92 2HB GLU 92 10.232 11.673 -5.740 667 2HB GLU 92 1HB GLU 92 11.551 11.305 -6.843 668 1HG GLU 92 2HG GLU 92 10.072 8.928 -6.181 669 2HG GLU 92 1HG GLU 92 9.005 10.184 -6.804 670 H ASP 93 H ASP 93 9.699 8.919 -4.251 671 HA ASP 93 HA ASP 93 9.525 10.067 -1.557 672 1HB ASP 93 2HB ASP 93 7.846 10.871 -3.631 673 2HB ASP 93 1HB ASP 93 6.878 9.737 -2.693 674 H GLU 94 H GLU 94 10.266 7.473 -2.734 675 HA GLU 94 HA GLU 94 9.959 5.261 -2.547 676 1HB GLU 94 2HB GLU 94 9.415 4.548 -0.117 677 2HB GLU 94 1HB GLU 94 10.919 5.369 -0.484 678 1HG GLU 94 2HG GLU 94 8.894 7.287 0.189 679 2HG GLU 94 1HG GLU 94 9.010 6.052 1.442 680 H ARG 95 H ARG 95 7.628 5.172 -0.067 681 HA ARG 95 HA ARG 95 5.685 4.176 -2.034 682 1HB ARG 95 2HB ARG 95 7.282 2.706 -0.300 683 2HB ARG 95 1HB ARG 95 5.711 2.739 0.483 684 1HG ARG 95 2HG ARG 95 5.006 1.142 -0.864 685 2HG ARG 95 1HG ARG 95 5.287 2.190 -2.257 686 1HD ARG 95 2HD ARG 95 6.644 0.428 -2.790 687 2HD ARG 95 1HD ARG 95 7.778 1.448 -1.902 688 HE ARG 95 HE ARG 95 7.486 -0.004 0.005 689 1HH1 ARG 95 2HH1 ARG 95 6.195 -1.177 -3.018 690 2HH1 ARG 95 1HH1 ARG 95 6.239 -2.841 -2.542 691 1HH2 ARG 95 2HH2 ARG 95 7.565 -2.213 0.648 692 2HH2 ARG 95 1HH2 ARG 95 7.035 -3.429 -0.480 693 H LEU 96 H LEU 96 3.708 4.889 -1.839 694 HA LEU 96 HA LEU 96 2.682 5.614 0.815 695 1HB LEU 96 2HB LEU 96 1.825 7.560 0.079 696 2HB LEU 96 1HB LEU 96 2.995 7.414 -1.220 697 HG LEU 96 HG LEU 96 0.792 5.943 -2.087 698 1HD1 LEU 96 1HD1 LEU 96 -1.133 7.192 -1.726 699 2HD1 LEU 96 2HD1 LEU 96 -0.347 7.205 -0.146 700 3HD1 LEU 96 3HD1 LEU 96 -0.230 8.615 -1.200 701 1HD2 LEU 96 1HD2 LEU 96 1.926 7.096 -3.706 702 2HD2 LEU 96 2HD2 LEU 96 0.498 8.117 -3.518 703 3HD2 LEU 96 3HD2 LEU 96 2.018 8.576 -2.747 704 H ILE 97 H ILE 97 0.300 5.210 0.962 705 HA ILE 97 HA ILE 97 -0.910 3.694 -1.121 706 HB ILE 97 HB ILE 97 -1.512 2.069 1.095 707 1HG1 ILE 97 2HG1 ILE 97 1.429 1.837 0.586 708 2HG1 ILE 97 1HG1 ILE 97 0.848 2.957 1.814 709 1HG2 ILE 97 1HG2 ILE 97 -1.505 1.619 -1.394 710 2HG2 ILE 97 2HG2 ILE 97 0.224 1.305 -1.227 711 3HG2 ILE 97 3HG2 ILE 97 -0.939 0.313 -0.349 712 1HD1 ILE 97 1HD1 ILE 97 0.311 1.314 3.238 713 2HD1 ILE 97 2HD1 ILE 97 -0.277 0.252 1.958 714 3HD1 ILE 97 3HD1 ILE 97 1.452 0.376 2.274 715 H THR 98 H THR 98 -3.107 3.794 -1.008 716 HA THR 98 HA THR 98 -4.157 5.400 1.196 717 HB THR 98 HB THR 98 -4.487 5.521 -1.664 718 HG1 THR 98 1HG THR 98 -4.396 7.137 0.361 719 1HG2 THR 98 1HG2 THR 98 -6.474 4.199 -1.393 720 2HG2 THR 98 2HG2 THR 98 -6.925 5.872 -1.726 721 3HG2 THR 98 3HG2 THR 98 -7.032 5.237 -0.083 722 H ARG 99 H ARG 99 -5.392 4.399 2.626 723 HA ARG 99 HA ARG 99 -6.244 1.667 2.076 724 1HB ARG 99 2HB ARG 99 -6.963 2.818 4.684 725 2HB ARG 99 1HB ARG 99 -6.167 1.300 4.307 726 1HG ARG 99 2HG ARG 99 -4.338 3.372 3.726 727 2HG ARG 99 1HG ARG 99 -5.045 3.709 5.305 728 1HD ARG 99 2HD ARG 99 -3.513 1.288 4.411 729 2HD ARG 99 1HD ARG 99 -3.161 2.379 5.749 730 HE ARG 99 HE ARG 99 -4.934 0.110 5.766 731 1HH1 ARG 99 2HH1 ARG 99 -3.958 3.049 7.408 732 2HH1 ARG 99 1HH1 ARG 99 -4.891 2.700 8.833 733 1HH2 ARG 99 2HH2 ARG 99 -6.123 -0.368 7.627 734 2HH2 ARG 99 1HH2 ARG 99 -6.130 0.758 8.959 735 H LEU 100 H LEU 100 -8.011 1.707 0.830 736 HA LEU 100 HA LEU 100 -10.060 3.693 1.300 737 1HB LEU 100 2HB LEU 100 -9.120 2.708 -0.961 738 2HB LEU 100 1HB LEU 100 -10.397 1.533 -0.715 739 HG LEU 100 HG LEU 100 -11.588 4.045 -0.330 740 1HD1 LEU 100 1HD1 LEU 100 -9.378 4.744 -1.558 741 2HD1 LEU 100 2HD1 LEU 100 -10.231 4.144 -2.981 742 3HD1 LEU 100 3HD1 LEU 100 -10.927 5.450 -2.021 743 1HD2 LEU 100 1HD2 LEU 100 -11.629 1.932 -2.445 744 2HD2 LEU 100 2HD2 LEU 100 -12.881 2.387 -1.287 745 3HD2 LEU 100 3HD2 LEU 100 -12.540 3.426 -2.670 746 H GLU 101 H GLU 101 -12.306 3.080 1.187 747 HA GLU 101 HA GLU 101 -12.865 0.770 2.911 748 1HB GLU 101 2HB GLU 101 -15.188 2.370 2.352 749 2HB GLU 101 1HB GLU 101 -14.404 2.063 3.896 750 1HG GLU 101 2HG GLU 101 -14.174 4.307 3.841 751 2HG GLU 101 1HG GLU 101 -12.711 3.876 2.963 752 H ASN 102 H ASN 102 -13.241 -0.997 1.787 753 HA ASN 102 HA ASN 102 -13.948 -1.015 -0.939 754 1HB ASN 102 2HB ASN 102 -12.715 -2.820 0.365 755 2HB ASN 102 1HB ASN 102 -14.295 -3.329 0.965 756 1HD2 ASN 102 1HD2 ASN 102 -14.335 -5.285 -0.005 757 2HD2 ASN 102 2HD2 ASN 102 -14.404 -5.508 -1.729 758 H THR 103 H THR 103 -15.811 -1.492 2.000 759 HA THR 103 HA THR 103 -18.270 -1.528 0.406 760 HB THR 103 HB THR 103 -18.220 -3.428 1.845 761 HG1 THR 103 1HG THR 103 -20.213 -2.108 1.859 762 1HG2 THR 103 1HG2 THR 103 -16.899 -1.623 3.692 763 2HG2 THR 103 2HG2 THR 103 -16.852 -3.384 3.603 764 3HG2 THR 103 3HG2 THR 103 -18.157 -2.578 4.475 765 H GLN 104 H GLN 104 -19.091 -0.663 3.461 766 HA GLN 104 HA GLN 104 -18.657 2.209 3.007 767 1HB GLN 104 2HB GLN 104 -20.970 2.368 4.284 768 2HB GLN 104 1HB GLN 104 -20.908 2.182 2.537 769 1HG GLN 104 2HG GLN 104 -21.984 0.248 2.625 770 2HG GLN 104 1HG GLN 104 -20.894 -0.380 3.858 771 1HE2 GLN 104 1HE2 GLN 104 -21.359 1.321 5.938 772 2HE2 GLN 104 2HE2 GLN 104 -22.998 1.148 6.486 773 H PHE 105 H PHE 105 -16.819 1.590 4.407 774 HA PHE 105 HA PHE 105 -17.383 2.117 7.169 775 1HB PHE 105 2HB PHE 105 -17.835 -0.354 6.911 776 2HB PHE 105 1HB PHE 105 -16.143 -0.558 6.468 777 HD1 PHE 105 1HD PHE 105 -17.191 1.851 9.033 778 HD2 PHE 105 2HD PHE 105 -15.691 -2.062 8.280 779 HE1 PHE 105 1HE PHE 105 -16.596 1.625 11.408 780 HE2 PHE 105 2HE PHE 105 -15.098 -2.295 10.655 781 HZ PHE 105 HZ PHE 105 -15.550 -0.450 12.224 782 H ASP 106 H ASP 106 -15.942 3.740 7.234 783 HA ASP 106 HA ASP 106 -13.212 3.284 6.236 784 1HB ASP 106 2HB ASP 106 -14.350 5.408 5.613 785 2HB ASP 106 1HB ASP 106 -14.450 5.831 7.310 786 H ALA 107 H ALA 107 -14.263 5.290 8.887 787 HA ALA 107 HA ALA 107 -13.704 5.448 11.072 788 1HB ALA 107 1HB ALA 107 -14.343 2.828 10.771 789 2HB ALA 107 2HB ALA 107 -12.701 2.706 11.402 790 3HB ALA 107 3HB ALA 107 -13.933 3.586 12.308 791 H ALA 108 H ALA 108 -11.793 6.140 9.113 792 HA ALA 108 HA ALA 108 -9.238 5.322 10.300 793 1HB ALA 108 1HB ALA 108 -8.165 6.126 8.394 794 2HB ALA 108 2HB ALA 108 -9.655 5.426 7.762 795 3HB ALA 108 3HB ALA 108 -9.515 7.173 7.958 796 H ASN 109 H ASN 109 -7.687 7.539 9.988 797 HA ASN 109 HA ASN 109 -8.795 9.283 12.047 798 1HB ASN 109 2HB ASN 109 -6.317 8.234 11.809 799 2HB ASN 109 1HB ASN 109 -6.060 9.791 11.028 800 1HD2 ASN 109 1HD2 ASN 109 -5.657 11.471 12.263 801 2HD2 ASN 109 2HD2 ASN 109 -5.919 11.560 13.981 802 H GLY 110 H GLY 110 -9.591 9.348 9.142 803 1HA GLY 110 1HA GLY 110 -8.687 11.940 8.215 804 2HA GLY 110 2HA GLY 110 -9.916 10.929 7.464 805 H ILE 111 H ILE 111 -12.052 10.983 8.263 806 HA ILE 111 HA ILE 111 -12.656 13.381 9.862 807 HB ILE 111 HB ILE 111 -14.909 11.974 8.589 808 1HG1 ILE 111 2HG1 ILE 111 -13.040 11.900 6.856 809 2HG1 ILE 111 1HG1 ILE 111 -14.533 12.685 6.357 810 1HG2 ILE 111 1HG2 ILE 111 -15.077 14.605 7.917 811 2HG2 ILE 111 2HG2 ILE 111 -15.718 13.892 9.400 812 3HG2 ILE 111 3HG2 ILE 111 -14.135 14.672 9.407 813 1HD1 ILE 111 1HD1 ILE 111 -12.493 14.463 7.510 814 2HD1 ILE 111 2HD1 ILE 111 -12.084 13.713 5.965 815 3HD1 ILE 111 3HD1 ILE 111 -13.547 14.688 6.114 816 H ASP 112 H ASP 112 -14.177 10.285 9.230 817 HA ASP 112 HA ASP 112 -13.694 9.202 11.757 818 1HB ASP 112 2HB ASP 112 -16.217 8.967 12.380 819 2HB ASP 112 1HB ASP 112 -15.342 10.417 12.845 820 H ASP 113 H ASP 113 -16.805 8.406 10.677 821 HA ASP 113 HA ASP 113 -15.729 6.339 8.887 822 1HB ASP 113 2HB ASP 113 -16.463 5.185 10.885 823 2HB ASP 113 1HB ASP 113 -18.006 6.033 10.856 824 H GLU 114 H GLU 114 -16.151 7.387 7.013 825 HA GLU 114 HA GLU 114 -18.862 8.426 6.587 826 1HB GLU 114 2HB GLU 114 -16.663 9.807 6.241 827 2HB GLU 114 1HB GLU 114 -16.570 8.924 4.723 828 1HG GLU 114 2HG GLU 114 -18.744 9.783 4.069 829 2HG GLU 114 1HG GLU 114 -18.888 10.625 5.612 Start of MODEL 14 1 1H GLY 1 1H GLY 1 -21.604 -4.929 -7.909 2 2H GLY 1 2H GLY 1 -20.661 -3.807 -7.056 3 3H GLY 1 3H GLY 1 -22.201 -4.230 -6.483 4 1HA GLY 1 2HA GLY 1 -20.425 -5.300 -5.211 5 2HA GLY 1 1HA GLY 1 -21.505 -6.445 -5.996 6 H SER 2 H SER 2 -19.301 -4.730 -8.026 7 HA SER 2 HA SER 2 -18.050 -7.142 -8.867 8 1HB SER 2 2HB SER 2 -16.586 -4.800 -9.661 9 2HB SER 2 1HB SER 2 -17.591 -5.861 -10.649 10 HG SER 2 HG SER 2 -18.218 -3.528 -10.424 11 H LEU 3 H LEU 3 -16.383 -8.147 -7.955 12 HA LEU 3 HA LEU 3 -15.023 -6.935 -5.730 13 1HB LEU 3 2HB LEU 3 -14.418 -9.579 -7.042 14 2HB LEU 3 1HB LEU 3 -13.917 -9.057 -5.448 15 HG LEU 3 HG LEU 3 -16.837 -9.180 -6.009 16 1HD1 LEU 3 1HD1 LEU 3 -15.582 -11.302 -6.861 17 2HD1 LEU 3 2HD1 LEU 3 -15.432 -11.666 -5.141 18 3HD1 LEU 3 3HD1 LEU 3 -17.027 -11.467 -5.866 19 1HD2 LEU 3 1HD2 LEU 3 -15.506 -8.467 -3.843 20 2HD2 LEU 3 2HD2 LEU 3 -17.028 -9.352 -3.742 21 3HD2 LEU 3 3HD2 LEU 3 -15.495 -10.208 -3.563 22 H LEU 4 H LEU 4 -12.633 -7.158 -5.545 23 HA LEU 4 HA LEU 4 -11.305 -6.363 -8.055 24 1HB LEU 4 2HB LEU 4 -10.581 -5.362 -5.305 25 2HB LEU 4 1HB LEU 4 -9.978 -4.783 -6.851 26 HG LEU 4 HG LEU 4 -12.736 -4.418 -7.007 27 1HD1 LEU 4 1HD1 LEU 4 -11.835 -4.313 -4.234 28 2HD1 LEU 4 2HD1 LEU 4 -12.625 -2.832 -4.777 29 3HD1 LEU 4 3HD1 LEU 4 -13.469 -4.377 -4.898 30 1HD2 LEU 4 1HD2 LEU 4 -11.010 -2.180 -6.102 31 2HD2 LEU 4 2HD2 LEU 4 -10.560 -3.015 -7.590 32 3HD2 LEU 4 3HD2 LEU 4 -12.149 -2.263 -7.444 33 H THR 5 H THR 5 -8.901 -6.705 -7.951 34 HA THR 5 HA THR 5 -8.257 -9.056 -6.294 35 HB THR 5 HB THR 5 -6.653 -9.352 -8.508 36 HG1 THR 5 1HG THR 5 -9.280 -8.630 -9.403 37 1HG2 THR 5 1HG2 THR 5 -7.487 -11.376 -8.097 38 2HG2 THR 5 2HG2 THR 5 -8.914 -10.910 -9.023 39 3HG2 THR 5 3HG2 THR 5 -8.887 -10.691 -7.273 40 H CYS 6 H CYS 6 -6.399 -8.935 -5.210 41 HA CYS 6 HA CYS 6 -4.845 -6.513 -5.402 42 1HB CYS 6 2HB CYS 6 -4.713 -6.860 -3.201 43 2HB CYS 6 1HB CYS 6 -5.505 -8.421 -3.380 44 H GLY 7 H GLY 7 -2.614 -6.447 -5.815 45 1HA GLY 7 1HA GLY 7 -1.764 -8.537 -7.660 46 2HA GLY 7 2HA GLY 7 -1.015 -6.962 -7.453 47 H GLY 8 H GLY 8 -1.525 -8.206 -4.436 48 1HA GLY 8 1HA GLY 8 1.305 -8.904 -4.211 49 2HA GLY 8 2HA GLY 8 0.204 -8.572 -2.883 50 H CYS 9 H CYS 9 -1.842 -10.268 -3.300 51 HA CYS 9 HA CYS 9 -0.530 -12.902 -3.215 52 1HB CYS 9 2HB CYS 9 -2.117 -13.622 -1.580 53 2HB CYS 9 1HB CYS 9 -1.479 -12.075 -1.042 54 H GLN 10 H GLN 10 -3.028 -10.970 -4.568 55 HA GLN 10 HA GLN 10 -4.471 -11.245 -6.278 56 1HB GLN 10 2HB GLN 10 -2.164 -12.656 -6.969 57 2HB GLN 10 1HB GLN 10 -3.490 -13.735 -7.378 58 1HG GLN 10 2HG GLN 10 -3.885 -12.579 -9.216 59 2HG GLN 10 1HG GLN 10 -4.171 -11.125 -8.262 60 1HE2 GLN 10 1HE2 GLN 10 -3.159 -9.587 -9.378 61 2HE2 GLN 10 2HE2 GLN 10 -1.478 -9.626 -9.840 62 H GLN 11 H GLN 11 -5.008 -12.620 -3.693 63 HA GLN 11 HA GLN 11 -6.546 -14.944 -4.527 64 1HB GLN 11 2HB GLN 11 -6.726 -15.512 -2.269 65 2HB GLN 11 1HB GLN 11 -5.130 -14.790 -2.385 66 1HG GLN 11 2HG GLN 11 -5.651 -13.175 -0.949 67 2HG GLN 11 1HG GLN 11 -7.181 -12.840 -1.755 68 1HE2 GLN 11 1HE2 GLN 11 -5.635 -14.365 0.875 69 2HE2 GLN 11 2HE2 GLN 11 -7.061 -15.003 1.632 70 H ASN 12 H ASN 12 -7.149 -11.916 -4.958 71 HA ASN 12 HA ASN 12 -9.028 -10.730 -5.426 72 1HB ASN 12 2HB ASN 12 -10.162 -12.830 -6.006 73 2HB ASN 12 1HB ASN 12 -10.549 -13.097 -4.310 74 1HD2 ASN 12 1HD2 ASN 12 -12.270 -12.081 -3.410 75 2HD2 ASN 12 2HD2 ASN 12 -13.358 -11.062 -4.304 76 H ILE 13 H ILE 13 -9.901 -9.059 -4.370 77 HA ILE 13 HA ILE 13 -9.587 -8.999 -1.484 78 HB ILE 13 HB ILE 13 -10.518 -6.744 -3.230 79 1HG1 ILE 13 2HG1 ILE 13 -7.667 -7.000 -2.388 80 2HG1 ILE 13 1HG1 ILE 13 -8.215 -7.943 -3.767 81 1HG2 ILE 13 1HG2 ILE 13 -8.855 -6.094 -0.959 82 2HG2 ILE 13 2HG2 ILE 13 -10.462 -5.500 -1.384 83 3HG2 ILE 13 3HG2 ILE 13 -10.288 -7.004 -0.477 84 1HD1 ILE 13 1HD1 ILE 13 -7.173 -5.601 -4.126 85 2HD1 ILE 13 2HD1 ILE 13 -8.592 -6.090 -5.058 86 3HD1 ILE 13 3HD1 ILE 13 -8.778 -5.021 -3.667 87 H GLY 14 H GLY 14 -11.193 -9.838 -0.359 88 1HA GLY 14 1HA GLY 14 -13.965 -9.243 -1.200 89 2HA GLY 14 2HA GLY 14 -13.481 -10.670 -0.285 90 H ASP 15 H ASP 15 -11.921 -7.795 0.569 91 HA ASP 15 HA ASP 15 -13.129 -7.783 3.178 92 1HB ASP 15 2HB ASP 15 -11.126 -5.889 1.920 93 2HB ASP 15 1HB ASP 15 -11.646 -5.823 3.599 94 H ARG 16 H ARG 16 -13.678 -5.488 4.067 95 HA ARG 16 HA ARG 16 -15.745 -4.392 2.309 96 1HB ARG 16 2HB ARG 16 -16.752 -3.448 4.197 97 2HB ARG 16 1HB ARG 16 -16.153 -4.994 4.778 98 1HG ARG 16 2HG ARG 16 -14.310 -3.945 5.872 99 2HG ARG 16 1HG ARG 16 -14.684 -2.391 5.128 100 1HD ARG 16 2HD ARG 16 -16.391 -1.964 6.565 101 2HD ARG 16 1HD ARG 16 -16.819 -3.669 6.736 102 HE ARG 16 HE ARG 16 -14.293 -2.846 7.920 103 1HH1 ARG 16 2HH1 ARG 16 -17.718 -3.392 8.441 104 2HH1 ARG 16 1HH1 ARG 16 -17.535 -3.714 10.138 105 1HH2 ARG 16 2HH2 ARG 16 -14.052 -3.260 10.140 106 2HH2 ARG 16 1HH2 ARG 16 -15.440 -3.657 11.107 107 H TYR 17 H TYR 17 -12.684 -3.615 3.764 108 HA TYR 17 HA TYR 17 -12.610 -1.162 2.158 109 1HB TYR 17 2HB TYR 17 -12.809 -1.055 4.909 110 2HB TYR 17 1HB TYR 17 -11.070 -0.992 4.658 111 HD1 TYR 17 1HD TYR 17 -14.197 0.517 3.337 112 HD2 TYR 17 2HD TYR 17 -10.104 1.100 4.333 113 HE1 TYR 17 1HE TYR 17 -14.404 2.888 2.764 114 HE2 TYR 17 2HE TYR 17 -10.305 3.483 3.757 115 HH TYR 17 HH TYR 17 -13.357 4.796 2.476 116 H PHE 18 H PHE 18 -10.632 -0.788 1.178 117 HA PHE 18 HA PHE 18 -8.401 -2.526 1.848 118 1HB PHE 18 2HB PHE 18 -8.225 -3.593 -0.252 119 2HB PHE 18 1HB PHE 18 -9.912 -3.749 0.215 120 HD1 PHE 18 1HD PHE 18 -11.470 -1.779 -0.716 121 HD2 PHE 18 2HD PHE 18 -7.745 -2.993 -2.388 122 HE1 PHE 18 1HE PHE 18 -12.134 -0.831 -2.882 123 HE2 PHE 18 2HE PHE 18 -8.404 -2.040 -4.555 124 HZ PHE 18 HZ PHE 18 -10.600 -0.961 -4.804 125 H LEU 19 H LEU 19 -6.661 -2.128 -0.056 126 HA LEU 19 HA LEU 19 -6.452 0.782 -0.366 127 1HB LEU 19 2HB LEU 19 -4.455 -1.241 0.584 128 2HB LEU 19 1HB LEU 19 -3.935 0.267 -0.131 129 HG LEU 19 HG LEU 19 -5.812 0.218 2.211 130 1HD1 LEU 19 1HD1 LEU 19 -4.002 -0.976 3.083 131 2HD1 LEU 19 2HD1 LEU 19 -2.823 -0.032 2.171 132 3HD1 LEU 19 3HD1 LEU 19 -3.671 0.694 3.539 133 1HD2 LEU 19 1HD2 LEU 19 -4.834 2.239 0.562 134 2HD2 LEU 19 2HD2 LEU 19 -5.670 2.431 2.103 135 3HD2 LEU 19 3HD2 LEU 19 -3.907 2.373 2.055 136 H LYS 20 H LYS 20 -5.473 1.516 -2.229 137 HA LYS 20 HA LYS 20 -4.198 -0.214 -4.084 138 1HB LYS 20 2HB LYS 20 -5.876 -0.809 -5.437 139 2HB LYS 20 1HB LYS 20 -7.007 -0.116 -4.294 140 1HG LYS 20 2HG LYS 20 -5.757 1.676 -6.308 141 2HG LYS 20 1HG LYS 20 -7.002 0.552 -6.830 142 1HD LYS 20 2HD LYS 20 -8.437 1.449 -4.953 143 2HD LYS 20 1HD LYS 20 -7.236 2.728 -4.763 144 1HE LYS 20 2HE LYS 20 -9.133 3.426 -6.162 145 2HE LYS 20 1HE LYS 20 -7.603 3.462 -7.036 146 1HZ LYS 20 1HZ LYS 20 -9.431 1.133 -7.198 147 2HZ LYS 20 2HZ LYS 20 -8.172 1.567 -8.250 148 3HZ LYS 20 3HZ LYS 20 -9.601 2.478 -8.217 149 H ALA 21 H ALA 21 -2.985 1.029 -5.583 150 HA ALA 21 HA ALA 21 -3.334 3.883 -5.750 151 1HB ALA 21 1HB ALA 21 -1.677 4.632 -4.303 152 2HB ALA 21 2HB ALA 21 -2.489 3.373 -3.377 153 3HB ALA 21 3HB ALA 21 -0.944 3.036 -4.156 154 H ILE 22 H ILE 22 -0.662 1.526 -5.677 155 HA ILE 22 HA ILE 22 1.146 2.718 -7.243 156 HB ILE 22 HB ILE 22 0.617 -0.194 -7.751 157 1HG1 ILE 22 2HG1 ILE 22 1.557 1.122 -5.220 158 2HG1 ILE 22 1HG1 ILE 22 0.391 -0.179 -5.420 159 1HG2 ILE 22 1HG2 ILE 22 2.792 -0.323 -8.350 160 2HG2 ILE 22 2HG2 ILE 22 2.543 1.391 -8.699 161 3HG2 ILE 22 3HG2 ILE 22 3.300 0.904 -7.181 162 1HD1 ILE 22 1HD1 ILE 22 3.298 -0.562 -6.054 163 2HD1 ILE 22 2HD1 ILE 22 2.661 -0.756 -4.422 164 3HD1 ILE 22 3HD1 ILE 22 2.064 -1.782 -5.727 165 H ASP 23 H ASP 23 -1.420 0.669 -8.527 166 HA ASP 23 HA ASP 23 -2.048 2.183 -10.749 167 1HB ASP 23 2HB ASP 23 0.404 1.292 -11.291 168 2HB ASP 23 1HB ASP 23 -0.484 -0.150 -11.775 169 H GLN 24 H GLN 24 -2.127 -0.508 -8.837 170 HA GLN 24 HA GLN 24 -4.513 -1.524 -10.168 171 1HB GLN 24 2HB GLN 24 -3.677 -3.867 -9.427 172 2HB GLN 24 1HB GLN 24 -3.015 -3.160 -10.894 173 1HG GLN 24 2HG GLN 24 -1.559 -2.612 -8.387 174 2HG GLN 24 1HG GLN 24 -1.514 -4.267 -8.991 175 1HE2 GLN 24 1HE2 GLN 24 0.786 -2.734 -8.831 176 2HE2 GLN 24 2HE2 GLN 24 1.343 -2.374 -10.435 177 H TYR 25 H TYR 25 -5.081 -3.559 -8.376 178 HA TYR 25 HA TYR 25 -5.621 -1.968 -5.965 179 1HB TYR 25 2HB TYR 25 -6.986 -4.575 -6.510 180 2HB TYR 25 1HB TYR 25 -7.572 -3.166 -5.626 181 HD1 TYR 25 1HD TYR 25 -7.308 -0.963 -7.490 182 HD2 TYR 25 2HD TYR 25 -8.437 -5.015 -8.228 183 HE1 TYR 25 1HE TYR 25 -8.554 -0.263 -9.500 184 HE2 TYR 25 2HE TYR 25 -9.665 -4.314 -10.235 185 HH TYR 25 HH TYR 25 -9.353 -1.212 -11.606 186 H TRP 26 H TRP 26 -5.462 -2.942 -3.895 187 HA TRP 26 HA TRP 26 -3.745 -5.301 -3.727 188 1HB TRP 26 2HB TRP 26 -3.164 -2.677 -2.325 189 2HB TRP 26 1HB TRP 26 -2.243 -4.167 -2.153 190 HD1 TRP 26 HD TRP 26 -2.783 -1.238 -4.543 191 HE1 TRP 26 1HE TRP 26 -0.950 -1.295 -6.346 192 HE3 TRP 26 3HE TRP 26 -0.663 -5.742 -3.405 193 HZ2 TRP 26 2HZ TRP 26 1.120 -3.016 -7.179 194 HZ3 TRP 26 3HZ TRP 26 1.243 -6.520 -4.755 195 HH2 TRP 26 HH TRP 26 2.115 -5.182 -6.600 196 H HIS 27 H HIS 27 -3.304 -5.424 -1.113 197 HA HIS 27 HA HIS 27 -5.990 -5.427 0.097 198 1HB HIS 27 2HB HIS 27 -3.743 -7.365 0.184 199 2HB HIS 27 1HB HIS 27 -4.613 -7.108 1.690 200 HD2 HIS 27 2HD HIS 27 -7.618 -7.195 0.924 201 HE1 HIS 27 1HE HIS 27 -6.690 -10.654 -1.327 202 HE2 HIS 27 2HE HIS 27 -8.496 -9.460 0.000 203 H GLU 28 H GLU 28 -5.898 -5.203 2.533 204 HA GLU 28 HA GLU 28 -4.732 -2.770 3.240 205 1HB GLU 28 2HB GLU 28 -6.179 -4.953 4.609 206 2HB GLU 28 1HB GLU 28 -5.180 -3.945 5.642 207 1HG GLU 28 2HG GLU 28 -6.766 -2.367 3.810 208 2HG GLU 28 1HG GLU 28 -7.760 -3.421 4.817 209 H ASP 29 H ASP 29 -3.738 -6.097 4.080 210 HA ASP 29 HA ASP 29 -1.255 -5.002 5.185 211 1HB ASP 29 2HB ASP 29 -2.980 -7.055 6.031 212 2HB ASP 29 1HB ASP 29 -1.495 -7.850 5.524 213 H CYS 30 H CYS 30 -2.292 -6.218 2.334 214 HA CYS 30 HA CYS 30 -0.027 -7.867 1.685 215 1HB CYS 30 2HB CYS 30 -2.460 -6.930 0.268 216 2HB CYS 30 1HB CYS 30 -1.077 -7.387 -0.718 217 H LEU 31 H LEU 31 -1.095 -4.595 0.913 218 HA LEU 31 HA LEU 31 1.234 -3.970 -0.645 219 1HB LEU 31 2HB LEU 31 -0.971 -2.862 -0.950 220 2HB LEU 31 1HB LEU 31 -0.757 -2.086 0.607 221 HG LEU 31 HG LEU 31 0.888 -0.654 -0.177 222 1HD1 LEU 31 1HD1 LEU 31 1.699 -1.253 -2.704 223 2HD1 LEU 31 2HD1 LEU 31 2.584 -1.648 -1.228 224 3HD1 LEU 31 3HD1 LEU 31 1.537 -2.856 -1.982 225 1HD2 LEU 31 1HD2 LEU 31 0.017 0.400 -2.134 226 2HD2 LEU 31 2HD2 LEU 31 -0.783 -1.087 -2.640 227 3HD2 LEU 31 3HD2 LEU 31 -1.337 -0.234 -1.198 228 H SER 32 H SER 32 2.358 -5.007 1.408 229 HA SER 32 HA SER 32 3.450 -2.742 2.926 230 1HB SER 32 2HB SER 32 3.228 -5.515 4.090 231 2HB SER 32 1HB SER 32 3.498 -3.986 4.931 232 HG SER 32 HG SER 32 1.156 -5.196 4.218 233 H CYS 33 H CYS 33 5.424 -4.268 4.244 234 HA CYS 33 HA CYS 33 7.582 -4.282 2.570 235 1HB CYS 33 2HB CYS 33 6.865 -5.443 5.174 236 2HB CYS 33 1HB CYS 33 8.175 -6.269 4.356 237 H ASP 34 H ASP 34 8.079 -5.471 0.831 238 HA ASP 34 HA ASP 34 6.618 -7.926 0.301 239 1HB ASP 34 2HB ASP 34 7.310 -6.059 -1.412 240 2HB ASP 34 1HB ASP 34 8.838 -6.936 -1.450 241 H LEU 35 H LEU 35 10.016 -6.960 0.457 242 HA LEU 35 HA LEU 35 11.099 -9.549 0.368 243 1HB LEU 35 2HB LEU 35 12.407 -7.553 -0.104 244 2HB LEU 35 1HB LEU 35 12.190 -6.988 1.540 245 HG LEU 35 HG LEU 35 13.353 -9.461 1.903 246 1HD1 LEU 35 1HD1 LEU 35 14.581 -8.143 -0.512 247 2HD1 LEU 35 2HD1 LEU 35 15.326 -9.441 0.421 248 3HD1 LEU 35 3HD1 LEU 35 13.819 -9.730 -0.447 249 1HD2 LEU 35 1HD2 LEU 35 15.471 -7.962 2.171 250 2HD2 LEU 35 2HD2 LEU 35 14.337 -6.644 1.889 251 3HD2 LEU 35 3HD2 LEU 35 14.091 -7.742 3.246 252 H CYS 36 H CYS 36 10.832 -7.355 3.134 253 HA CYS 36 HA CYS 36 11.409 -9.340 5.052 254 1HB CYS 36 2HB CYS 36 10.015 -6.823 5.804 255 2HB CYS 36 1HB CYS 36 11.432 -7.586 6.527 256 H GLY 37 H GLY 37 8.403 -7.547 4.419 257 1HA GLY 37 1HA GLY 37 6.279 -8.612 4.259 258 2HA GLY 37 2HA GLY 37 6.908 -9.936 5.230 259 H CYS 38 H CYS 38 7.463 -6.640 6.236 260 HA CYS 38 HA CYS 38 5.758 -7.138 8.547 261 1HB CYS 38 2HB CYS 38 7.028 -4.626 8.806 262 2HB CYS 38 1HB CYS 38 7.407 -6.122 9.643 263 HG CYS 38 HG CYS 38 8.855 -4.917 6.791 264 H ARG 39 H ARG 39 6.225 -3.795 7.701 265 HA ARG 39 HA ARG 39 3.822 -3.474 6.197 266 1HB ARG 39 2HB ARG 39 3.590 -3.595 9.060 267 2HB ARG 39 1HB ARG 39 3.178 -1.980 8.504 268 1HG ARG 39 2HG ARG 39 1.694 -3.230 6.780 269 2HG ARG 39 1HG ARG 39 1.849 -4.583 7.905 270 1HD ARG 39 2HD ARG 39 1.216 -2.695 9.657 271 2HD ARG 39 1HD ARG 39 0.477 -1.968 8.232 272 HE ARG 39 HE ARG 39 -0.339 -4.634 8.338 273 1HH1 ARG 39 2HH1 ARG 39 -0.684 -1.711 10.241 274 2HH1 ARG 39 1HH1 ARG 39 -2.275 -2.109 10.817 275 1HH2 ARG 39 2HH2 ARG 39 -2.416 -5.188 9.125 276 2HH2 ARG 39 1HH2 ARG 39 -3.253 -4.094 10.196 277 H LEU 40 H LEU 40 3.302 -1.204 5.787 278 HA LEU 40 HA LEU 40 5.382 0.711 6.560 279 1HB LEU 40 2HB LEU 40 4.453 1.105 3.814 280 2HB LEU 40 1HB LEU 40 6.073 1.202 4.471 281 HG LEU 40 HG LEU 40 5.031 -1.537 4.202 282 1HD1 LEU 40 1HD1 LEU 40 4.038 -0.531 2.213 283 2HD1 LEU 40 2HD1 LEU 40 5.617 0.101 1.744 284 3HD1 LEU 40 3HD1 LEU 40 5.345 -1.640 1.797 285 1HD2 LEU 40 1HD2 LEU 40 7.216 -2.051 3.904 286 2HD2 LEU 40 2HD2 LEU 40 7.532 -0.620 2.922 287 3HD2 LEU 40 3HD2 LEU 40 7.444 -0.481 4.678 288 H GLY 41 H GLY 41 4.561 2.748 7.003 289 1HA GLY 41 1HA GLY 41 2.328 3.925 5.869 290 2HA GLY 41 2HA GLY 41 1.713 2.952 7.196 291 H GLU 42 H GLU 42 4.368 5.295 6.649 292 HA GLU 42 HA GLU 42 3.398 6.694 9.049 293 1HB GLU 42 2HB GLU 42 6.235 6.337 8.101 294 2HB GLU 42 1HB GLU 42 5.772 7.588 9.250 295 1HG GLU 42 2HG GLU 42 5.472 6.127 10.935 296 2HG GLU 42 1HG GLU 42 4.850 4.870 9.865 297 H VAL 43 H VAL 43 5.807 7.708 6.640 298 HA VAL 43 HA VAL 43 3.860 9.610 5.546 299 HB VAL 43 HB VAL 43 6.003 11.216 5.474 300 1HG1 VAL 43 1HG1 VAL 43 3.572 11.365 6.506 301 2HG1 VAL 43 2HG1 VAL 43 4.480 11.286 8.018 302 3HG1 VAL 43 3HG1 VAL 43 4.811 12.571 6.855 303 1HG2 VAL 43 1HG2 VAL 43 6.932 11.144 7.872 304 2HG2 VAL 43 2HG2 VAL 43 6.369 9.473 7.886 305 3HG2 VAL 43 3HG2 VAL 43 7.564 9.990 6.699 306 H GLY 44 H GLY 44 3.999 9.829 3.392 307 1HA GLY 44 1HA GLY 44 6.444 9.247 1.945 308 2HA GLY 44 2HA GLY 44 5.163 8.065 1.698 309 H ARG 45 H ARG 45 5.506 8.950 -0.612 310 HA ARG 45 HA ARG 45 3.472 11.019 -0.962 311 1HB ARG 45 2HB ARG 45 5.311 11.540 -3.035 312 2HB ARG 45 1HB ARG 45 4.864 12.580 -1.697 313 1HG ARG 45 2HG ARG 45 6.773 12.181 -0.569 314 2HG ARG 45 1HG ARG 45 6.898 10.516 -1.146 315 1HD ARG 45 2HD ARG 45 8.659 12.052 -2.031 316 2HD ARG 45 1HD ARG 45 7.705 11.234 -3.270 317 HE ARG 45 HE ARG 45 7.308 14.041 -2.460 318 1HH1 ARG 45 2HH1 ARG 45 7.153 11.477 -4.846 319 2HH1 ARG 45 1HH1 ARG 45 6.851 12.565 -6.179 320 1HH2 ARG 45 2HH2 ARG 45 6.870 15.470 -4.192 321 2HH2 ARG 45 1HH2 ARG 45 6.650 14.828 -5.796 322 H ARG 46 H ARG 46 5.653 9.186 -3.138 323 HA ARG 46 HA ARG 46 3.227 8.027 -4.357 324 1HB ARG 46 2HB ARG 46 5.850 8.432 -5.798 325 2HB ARG 46 1HB ARG 46 4.300 7.972 -6.489 326 1HG ARG 46 2HG ARG 46 3.926 10.433 -5.156 327 2HG ARG 46 1HG ARG 46 5.394 10.571 -6.125 328 1HD ARG 46 2HD ARG 46 2.593 9.964 -7.008 329 2HD ARG 46 1HD ARG 46 3.684 11.227 -7.577 330 HE ARG 46 HE ARG 46 5.036 9.306 -8.518 331 1HH1 ARG 46 2HH1 ARG 46 1.545 9.209 -8.161 332 2HH1 ARG 46 1HH1 ARG 46 1.328 8.002 -9.396 333 1HH2 ARG 46 2HH2 ARG 46 4.753 7.716 -10.124 334 2HH2 ARG 46 1HH2 ARG 46 3.152 7.138 -10.497 335 H LEU 47 H LEU 47 4.305 5.925 -5.777 336 HA LEU 47 HA LEU 47 5.535 4.400 -3.584 337 1HB LEU 47 2HB LEU 47 3.079 3.978 -4.768 338 2HB LEU 47 1HB LEU 47 4.107 2.786 -5.544 339 HG LEU 47 HG LEU 47 4.191 3.005 -2.568 340 1HD1 LEU 47 1HD1 LEU 47 1.764 2.959 -3.447 341 2HD1 LEU 47 2HD1 LEU 47 2.127 1.286 -3.872 342 3HD1 LEU 47 3HD1 LEU 47 2.250 1.815 -2.194 343 1HD2 LEU 47 1HD2 LEU 47 4.102 0.460 -4.098 344 2HD2 LEU 47 2HD2 LEU 47 5.559 1.448 -4.202 345 3HD2 LEU 47 3HD2 LEU 47 4.993 0.873 -2.632 346 H TYR 48 H TYR 48 6.951 2.766 -3.974 347 HA TYR 48 HA TYR 48 8.274 2.723 -6.618 348 1HB TYR 48 2HB TYR 48 9.370 2.469 -3.822 349 2HB TYR 48 1HB TYR 48 10.234 1.799 -5.197 350 HD1 TYR 48 1HD TYR 48 9.568 4.094 -7.147 351 HD2 TYR 48 2HD TYR 48 10.968 3.997 -3.136 352 HE1 TYR 48 1HE TYR 48 10.687 6.260 -7.495 353 HE2 TYR 48 2HE TYR 48 12.086 6.164 -3.463 354 HH TYR 48 HH TYR 48 12.360 7.634 -6.615 355 H TYR 49 H TYR 49 8.799 0.685 -7.439 356 HA TYR 49 HA TYR 49 8.698 -1.613 -5.767 357 1HB TYR 49 2HB TYR 49 6.961 -2.865 -6.769 358 2HB TYR 49 1HB TYR 49 6.275 -1.277 -6.430 359 HD1 TYR 49 1HD TYR 49 7.089 -3.710 -8.987 360 HD2 TYR 49 2HD TYR 49 5.876 0.311 -8.291 361 HE1 TYR 49 1HE TYR 49 6.299 -3.549 -11.310 362 HE2 TYR 49 2HE TYR 49 5.099 0.485 -10.622 363 HH TYR 49 HH TYR 49 5.919 -1.701 -13.001 364 H LYS 50 H LYS 50 9.618 -3.489 -6.807 365 HA LYS 50 HA LYS 50 11.493 -2.620 -8.859 366 1HB LYS 50 2HB LYS 50 11.586 -4.451 -6.615 367 2HB LYS 50 1HB LYS 50 12.152 -5.228 -8.084 368 1HG LYS 50 2HG LYS 50 13.658 -3.230 -8.419 369 2HG LYS 50 1HG LYS 50 13.231 -2.758 -6.773 370 1HD LYS 50 2HD LYS 50 14.367 -4.512 -5.828 371 2HD LYS 50 1HD LYS 50 14.177 -5.540 -7.249 372 1HE LYS 50 2HE LYS 50 15.877 -4.364 -8.427 373 2HE LYS 50 1HE LYS 50 15.936 -3.095 -7.200 374 1HZ LYS 50 1HZ LYS 50 16.439 -5.405 -5.826 375 2HZ LYS 50 2HZ LYS 50 17.588 -4.255 -6.304 376 3HZ LYS 50 3HZ LYS 50 17.293 -5.609 -7.277 377 H LEU 51 H LEU 51 12.148 -4.380 -10.423 378 HA LEU 51 HA LEU 51 10.642 -4.605 -12.492 379 1HB LEU 51 2HB LEU 51 11.635 -7.267 -12.238 380 2HB LEU 51 1HB LEU 51 12.234 -5.950 -13.229 381 HG LEU 51 HG LEU 51 13.306 -5.207 -10.894 382 1HD1 LEU 51 1HD1 LEU 51 13.420 -8.202 -10.698 383 2HD1 LEU 51 2HD1 LEU 51 13.959 -6.998 -9.527 384 3HD1 LEU 51 3HD1 LEU 51 12.234 -7.239 -9.813 385 1HD2 LEU 51 1HD2 LEU 51 14.374 -7.227 -12.854 386 2HD2 LEU 51 2HD2 LEU 51 14.602 -5.477 -12.871 387 3HD2 LEU 51 3HD2 LEU 51 15.357 -6.454 -11.610 388 H GLY 52 H GLY 52 10.450 -7.369 -10.234 389 1HA GLY 52 1HA GLY 52 7.703 -7.778 -11.255 390 2HA GLY 52 2HA GLY 52 8.812 -9.101 -10.943 391 H ARG 53 H ARG 53 8.884 -6.535 -8.650 392 HA ARG 53 HA ARG 53 6.834 -7.709 -6.987 393 1HB ARG 53 2HB ARG 53 8.409 -8.074 -5.063 394 2HB ARG 53 1HB ARG 53 8.567 -9.223 -6.383 395 1HG ARG 53 2HG ARG 53 10.621 -8.427 -7.013 396 2HG ARG 53 1HG ARG 53 10.329 -6.822 -6.336 397 1HD ARG 53 2HD ARG 53 10.596 -7.647 -4.107 398 2HD ARG 53 1HD ARG 53 10.663 -9.312 -4.679 399 HE ARG 53 HE ARG 53 12.727 -7.658 -5.794 400 1HH1 ARG 53 2HH1 ARG 53 11.803 -9.616 -3.037 401 2HH1 ARG 53 1HH1 ARG 53 13.450 -9.967 -2.587 402 1HH2 ARG 53 2HH2 ARG 53 14.874 -8.077 -5.178 403 2HH2 ARG 53 1HH2 ARG 53 15.201 -9.048 -3.770 404 H LYS 54 H LYS 54 5.981 -6.272 -5.579 405 HA LYS 54 HA LYS 54 6.984 -3.560 -5.623 406 1HB LYS 54 2HB LYS 54 5.056 -3.181 -3.991 407 2HB LYS 54 1HB LYS 54 4.630 -3.671 -5.623 408 1HG LYS 54 2HG LYS 54 3.546 -5.446 -4.868 409 2HG LYS 54 1HG LYS 54 4.958 -5.981 -3.955 410 1HD LYS 54 2HD LYS 54 4.256 -4.153 -2.264 411 2HD LYS 54 1HD LYS 54 2.691 -4.235 -3.077 412 1HE LYS 54 2HE LYS 54 2.377 -5.782 -1.422 413 2HE LYS 54 1HE LYS 54 3.000 -6.816 -2.710 414 1HZ LYS 54 1HZ LYS 54 4.710 -5.626 -0.595 415 2HZ LYS 54 2HZ LYS 54 5.137 -6.820 -1.724 416 3HZ LYS 54 3HZ LYS 54 4.025 -7.177 -0.491 417 H LEU 55 H LEU 55 9.049 -4.482 -4.747 418 HA LEU 55 HA LEU 55 9.115 -5.214 -1.980 419 1HB LEU 55 2HB LEU 55 10.933 -6.226 -2.811 420 2HB LEU 55 1HB LEU 55 10.939 -5.207 -4.236 421 HG LEU 55 HG LEU 55 11.911 -3.819 -1.860 422 1HD1 LEU 55 1HD1 LEU 55 13.594 -6.087 -2.890 423 2HD1 LEU 55 2HD1 LEU 55 13.949 -4.988 -1.558 424 3HD1 LEU 55 3HD1 LEU 55 12.650 -6.170 -1.403 425 1HD2 LEU 55 1HD2 LEU 55 13.359 -2.858 -3.343 426 2HD2 LEU 55 2HD2 LEU 55 13.505 -4.322 -4.322 427 3HD2 LEU 55 3HD2 LEU 55 12.052 -3.325 -4.434 428 H CYS 56 H CYS 56 10.273 -4.058 -0.349 429 HA CYS 56 HA CYS 56 9.591 -1.331 -0.183 430 1HB CYS 56 2HB CYS 56 11.659 -1.968 1.653 431 2HB CYS 56 1HB CYS 56 9.923 -1.879 1.961 432 H ARG 57 H ARG 57 10.766 0.444 -0.414 433 HA ARG 57 HA ARG 57 13.306 0.220 -1.874 434 1HB ARG 57 2HB ARG 57 11.515 1.805 -2.665 435 2HB ARG 57 1HB ARG 57 11.744 2.712 -1.177 436 1HG ARG 57 2HG ARG 57 13.015 3.871 -2.728 437 2HG ARG 57 1HG ARG 57 14.203 2.877 -1.883 438 1HD ARG 57 2HD ARG 57 13.815 3.035 -4.625 439 2HD ARG 57 1HD ARG 57 14.772 1.835 -3.763 440 HE ARG 57 HE ARG 57 12.302 0.772 -3.674 441 1HH1 ARG 57 2HH1 ARG 57 14.159 2.150 -6.303 442 2HH1 ARG 57 1HH1 ARG 57 13.510 1.055 -7.495 443 1HH2 ARG 57 2HH2 ARG 57 11.436 -0.652 -5.253 444 2HH2 ARG 57 1HH2 ARG 57 11.972 -0.520 -6.903 445 H ARG 58 H ARG 58 11.876 0.925 1.146 446 HA ARG 58 HA ARG 58 14.064 2.322 2.298 447 1HB ARG 58 2HB ARG 58 11.815 0.764 3.586 448 2HB ARG 58 1HB ARG 58 12.928 1.816 4.450 449 1HG ARG 58 2HG ARG 58 10.828 2.578 2.447 450 2HG ARG 58 1HG ARG 58 10.967 3.068 4.139 451 1HD ARG 58 2HD ARG 58 12.425 4.698 3.673 452 2HD ARG 58 1HD ARG 58 13.289 3.726 2.492 453 HE ARG 58 HE ARG 58 10.736 5.051 1.854 454 1HH1 ARG 58 2HH1 ARG 58 14.040 4.205 1.085 455 2HH1 ARG 58 1HH1 ARG 58 14.110 5.183 -0.348 456 1HH2 ARG 58 2HH2 ARG 58 10.782 6.323 -0.003 457 2HH2 ARG 58 1HH2 ARG 58 12.213 6.353 -0.999 458 H ASP 59 H ASP 59 13.040 -1.066 2.356 459 HA ASP 59 HA ASP 59 15.366 -1.814 3.887 460 1HB ASP 59 2HB ASP 59 13.199 -3.442 2.558 461 2HB ASP 59 1HB ASP 59 14.510 -4.148 3.497 462 H TYR 60 H TYR 60 14.583 -1.356 0.615 463 HA TYR 60 HA TYR 60 16.643 -2.991 -0.530 464 1HB TYR 60 2HB TYR 60 15.033 -2.585 -2.092 465 2HB TYR 60 1HB TYR 60 14.626 -1.016 -1.425 466 HD1 TYR 60 1HD TYR 60 16.138 -2.749 -4.091 467 HD2 TYR 60 2HD TYR 60 16.313 0.905 -1.911 468 HE1 TYR 60 1HE TYR 60 17.192 -1.658 -6.025 469 HE2 TYR 60 2HE TYR 60 17.379 2.009 -3.848 470 HH TYR 60 HH TYR 60 17.343 0.735 -6.921 471 H LEU 61 H LEU 61 16.310 0.228 0.778 472 HA LEU 61 HA LEU 61 18.960 1.070 -0.076 473 1HB LEU 61 2HB LEU 61 16.611 2.368 0.584 474 2HB LEU 61 1HB LEU 61 17.626 2.647 1.984 475 HG LEU 61 HG LEU 61 19.374 3.313 0.076 476 1HD1 LEU 61 1HD1 LEU 61 18.417 4.280 -1.808 477 2HD1 LEU 61 2HD1 LEU 61 17.503 2.784 -1.612 478 3HD1 LEU 61 3HD1 LEU 61 16.806 4.317 -1.090 479 1HD2 LEU 61 1HD2 LEU 61 17.904 5.641 0.384 480 2HD2 LEU 61 2HD2 LEU 61 17.511 4.687 1.818 481 3HD2 LEU 61 3HD2 LEU 61 19.194 5.063 1.439 482 H ARG 62 H ARG 62 17.282 0.783 3.009 483 HA ARG 62 HA ARG 62 19.588 -0.434 4.284 484 1HB ARG 62 2HB ARG 62 19.831 2.054 4.598 485 2HB ARG 62 1HB ARG 62 18.286 2.051 5.434 486 1HG ARG 62 2HG ARG 62 19.291 1.535 7.332 487 2HG ARG 62 1HG ARG 62 19.973 0.076 6.608 488 1HD ARG 62 2HD ARG 62 21.892 1.173 7.182 489 2HD ARG 62 1HD ARG 62 21.657 1.786 5.546 490 HE ARG 62 HE ARG 62 20.734 3.301 7.910 491 1HH1 ARG 62 2HH1 ARG 62 22.471 3.099 4.873 492 2HH1 ARG 62 1HH1 ARG 62 22.995 4.761 4.914 493 1HH2 ARG 62 2HH2 ARG 62 21.400 5.496 7.963 494 2HH2 ARG 62 1HH2 ARG 62 22.370 6.125 6.665 495 H LEU 63 H LEU 63 17.157 1.094 6.204 496 HA LEU 63 HA LEU 63 15.409 -1.233 5.959 497 1HB LEU 63 2HB LEU 63 15.268 -1.664 8.160 498 2HB LEU 63 1HB LEU 63 16.831 -0.876 8.228 499 HG LEU 63 HG LEU 63 14.965 1.192 8.467 500 1HD1 LEU 63 1HD1 LEU 63 13.548 -1.027 9.037 501 2HD1 LEU 63 2HD1 LEU 63 14.220 -0.658 10.628 502 3HD1 LEU 63 3HD1 LEU 63 13.256 0.548 9.775 503 1HD2 LEU 63 1HD2 LEU 63 15.975 1.516 10.580 504 2HD2 LEU 63 2HD2 LEU 63 16.417 -0.187 10.709 505 3HD2 LEU 63 3HD2 LEU 63 17.219 0.846 9.524 506 H GLY 64 H GLY 64 15.841 2.166 6.717 507 1HA GLY 64 1HA GLY 64 13.088 2.696 5.815 508 2HA GLY 64 2HA GLY 64 13.654 3.341 7.346 509 H GLY 65 H GLY 65 15.329 3.073 4.251 510 1HA GLY 65 1HA GLY 65 16.684 5.495 4.515 511 2HA GLY 65 2HA GLY 65 16.559 4.558 3.040 512 H SER 66 H SER 66 13.965 6.164 4.779 513 HA SER 66 HA SER 66 13.366 7.758 2.388 514 1HB SER 66 2HB SER 66 11.248 8.108 4.101 515 2HB SER 66 1HB SER 66 11.324 6.902 2.814 516 HG SER 66 HG SER 66 10.869 6.258 5.132 517 H GLY 67 H GLY 67 15.478 8.671 3.753 518 1HA GLY 67 1HA GLY 67 16.386 10.141 5.268 519 2HA GLY 67 2HA GLY 67 15.380 11.268 4.384 520 H GLY 68 H GLY 68 13.560 12.156 5.408 521 1HA GLY 68 1HA GLY 68 12.455 11.023 7.748 522 2HA GLY 68 2HA GLY 68 13.563 12.310 8.195 523 H HIS 69 H HIS 69 12.532 14.142 8.612 524 HA HIS 69 HA HIS 69 10.331 14.930 6.828 525 1HB HIS 69 2HB HIS 69 9.608 13.882 9.080 526 2HB HIS 69 1HB HIS 69 10.153 15.384 9.796 527 HD2 HIS 69 2HD HIS 69 7.866 14.774 6.628 528 HE1 HIS 69 1HE HIS 69 6.021 17.506 9.279 529 HE2 HIS 69 2HE HIS 69 5.876 16.400 7.002 530 H MET 70 H MET 70 11.331 16.492 9.810 531 HA MET 70 HA MET 70 11.782 18.938 8.306 532 1HB MET 70 2HB MET 70 11.895 18.564 11.300 533 2HB MET 70 1HB MET 70 11.703 20.073 10.420 534 1HG MET 70 2HG MET 70 9.617 18.245 9.699 535 2HG MET 70 1HG MET 70 9.702 18.412 11.452 536 1HE MET 70 1HE MET 70 7.080 21.040 11.528 537 2HE MET 70 2HE MET 70 7.164 19.311 11.190 538 3HE MET 70 3HE MET 70 8.105 19.997 12.513 539 H GLY 71 H GLY 71 13.538 16.899 10.615 540 1HA GLY 71 1HA GLY 71 16.011 18.330 9.889 541 2HA GLY 71 2HA GLY 71 15.772 17.403 11.363 542 H SER 72 H SER 72 14.891 16.381 8.122 543 HA SER 72 HA SER 72 17.185 14.850 7.569 544 1HB SER 72 2HB SER 72 16.102 13.593 9.560 545 2HB SER 72 1HB SER 72 14.868 13.108 8.397 546 HG SER 72 HG SER 72 16.286 11.537 8.127 547 H GLY 73 H GLY 73 16.907 13.523 5.641 548 1HA GLY 73 1HA GLY 73 16.076 13.111 3.539 549 2HA GLY 73 2HA GLY 73 14.476 13.384 4.210 550 H GLY 74 H GLY 74 14.256 14.240 1.936 551 1HA GLY 74 1HA GLY 74 15.045 17.090 1.895 552 2HA GLY 74 2HA GLY 74 14.962 16.093 0.452 553 H ASP 75 H ASP 75 12.613 14.845 0.548 554 HA ASP 75 HA ASP 75 10.759 17.014 0.099 555 1HB ASP 75 2HB ASP 75 11.031 14.779 -1.246 556 2HB ASP 75 1HB ASP 75 9.967 14.123 -0.006 557 H VAL 76 H VAL 76 8.562 17.034 0.983 558 HA VAL 76 HA VAL 76 8.547 16.189 3.802 559 HB VAL 76 HB VAL 76 6.403 17.959 2.732 560 1HG1 VAL 76 1HG1 VAL 76 7.243 17.049 5.232 561 2HG1 VAL 76 2HG1 VAL 76 7.682 18.758 5.186 562 3HG1 VAL 76 3HG1 VAL 76 6.013 18.269 4.897 563 1HG2 VAL 76 1HG2 VAL 76 7.779 19.539 1.983 564 2HG2 VAL 76 2HG2 VAL 76 8.403 19.704 3.625 565 3HG2 VAL 76 3HG2 VAL 76 9.193 18.614 2.486 566 H MET 77 H MET 77 7.936 14.100 3.628 567 HA MET 77 HA MET 77 5.901 13.199 1.858 568 1HB MET 77 2HB MET 77 7.075 11.726 4.205 569 2HB MET 77 1HB MET 77 6.339 11.032 2.767 570 1HG MET 77 2HG MET 77 8.159 11.864 1.406 571 2HG MET 77 1HG MET 77 8.874 12.642 2.811 572 1HE MET 77 1HE MET 77 10.421 10.129 4.880 573 2HE MET 77 2HE MET 77 9.292 11.484 4.899 574 3HE MET 77 3HE MET 77 8.699 9.840 5.130 575 H VAL 78 H VAL 78 3.952 11.997 2.541 576 HA VAL 78 HA VAL 78 2.828 12.779 5.112 577 HB VAL 78 HB VAL 78 0.694 13.373 3.523 578 1HG1 VAL 78 1HG1 VAL 78 1.021 14.781 5.295 579 2HG1 VAL 78 2HG1 VAL 78 2.731 15.016 4.936 580 3HG1 VAL 78 3HG1 VAL 78 1.506 15.828 3.961 581 1HG2 VAL 78 1HG2 VAL 78 3.091 13.757 1.922 582 2HG2 VAL 78 2HG2 VAL 78 1.393 13.768 1.442 583 3HG2 VAL 78 3HG2 VAL 78 2.137 15.232 2.088 584 H VAL 79 H VAL 79 2.437 11.003 2.129 585 HA VAL 79 HA VAL 79 -0.048 9.917 2.729 586 HB VAL 79 HB VAL 79 1.929 8.631 0.856 587 1HG1 VAL 79 1HG1 VAL 79 -0.710 8.003 1.570 588 2HG1 VAL 79 2HG1 VAL 79 -0.796 8.747 -0.028 589 3HG1 VAL 79 3HG1 VAL 79 0.233 7.339 0.234 590 1HG2 VAL 79 1HG2 VAL 79 1.981 10.826 0.113 591 2HG2 VAL 79 2HG2 VAL 79 0.654 10.145 -0.828 592 3HG2 VAL 79 3HG2 VAL 79 0.312 11.135 0.590 593 H GLY 80 H GLY 80 3.144 8.282 3.125 594 1HA GLY 80 1HA GLY 80 2.855 7.036 5.411 595 2HA GLY 80 2HA GLY 80 1.698 6.114 4.473 596 H GLU 81 H GLU 81 5.027 6.756 5.101 597 HA GLU 81 HA GLU 81 5.733 4.095 4.390 598 1HB GLU 81 2HB GLU 81 7.028 4.362 2.534 599 2HB GLU 81 1HB GLU 81 5.962 5.726 2.255 600 1HG GLU 81 2HG GLU 81 7.708 7.132 3.462 601 2HG GLU 81 1HG GLU 81 8.775 5.736 3.297 602 HA PRO 82 HA PRO 82 8.413 4.548 7.801 603 1HB PRO 82 2HB PRO 82 10.778 3.664 6.218 604 2HB PRO 82 1HB PRO 82 10.107 2.995 7.711 605 1HG PRO 82 2HG PRO 82 9.740 1.746 5.392 606 2HG PRO 82 1HG PRO 82 8.435 1.832 6.591 607 1HD PRO 82 2HD PRO 82 8.796 3.386 4.063 608 2HD PRO 82 1HD PRO 82 7.311 2.732 4.781 609 H THR 83 H THR 83 10.885 5.298 8.421 610 HA THR 83 HA THR 83 12.101 7.300 6.857 611 HB THR 83 HB THR 83 9.725 8.244 7.835 612 HG1 THR 83 1HG THR 83 11.374 9.157 6.294 613 1HG2 THR 83 1HG2 THR 83 11.832 8.821 9.872 614 2HG2 THR 83 2HG2 THR 83 10.125 8.438 10.100 615 3HG2 THR 83 3HG2 THR 83 10.601 10.036 9.523 616 H LEU 84 H LEU 84 13.809 8.476 8.031 617 HA LEU 84 HA LEU 84 14.731 6.977 10.390 618 1HB LEU 84 2HB LEU 84 16.155 8.537 8.252 619 2HB LEU 84 1HB LEU 84 16.933 8.185 9.783 620 HG LEU 84 HG LEU 84 15.792 5.807 8.570 621 1HD1 LEU 84 1HD1 LEU 84 18.004 7.200 7.083 622 2HD1 LEU 84 2HD1 LEU 84 17.286 5.632 6.709 623 3HD1 LEU 84 3HD1 LEU 84 16.330 7.104 6.533 624 1HD2 LEU 84 1HD2 LEU 84 17.970 4.910 9.085 625 2HD2 LEU 84 2HD2 LEU 84 18.620 6.533 9.330 626 3HD2 LEU 84 3HD2 LEU 84 17.415 5.887 10.444 627 H MET 85 H MET 85 16.365 8.496 11.669 628 HA MET 85 HA MET 85 14.828 10.843 12.499 629 1HB MET 85 2HB MET 85 15.663 9.231 14.220 630 2HB MET 85 1HB MET 85 17.308 9.648 13.758 631 1HG MET 85 2HG MET 85 16.763 12.022 14.350 632 2HG MET 85 1HG MET 85 15.248 11.427 15.024 633 1HE MET 85 1HE MET 85 17.632 12.352 18.082 634 2HE MET 85 2HE MET 85 17.953 13.020 16.479 635 3HE MET 85 3HE MET 85 16.296 12.909 17.072 636 H GLY 86 H GLY 86 17.958 9.885 11.192 637 1HA GLY 86 1HA GLY 86 18.307 12.572 10.120 638 2HA GLY 86 2HA GLY 86 19.535 12.033 11.259 639 H GLY 87 H GLY 87 18.859 12.325 8.088 640 1HA GLY 87 1HA GLY 87 21.024 11.291 6.916 641 2HA GLY 87 2HA GLY 87 20.074 9.832 7.199 642 H GLU 88 H GLU 88 20.588 12.470 5.125 643 HA GLU 88 HA GLU 88 17.932 12.350 3.979 644 1HB GLU 88 2HB GLU 88 20.082 13.910 2.657 645 2HB GLU 88 1HB GLU 88 18.398 14.331 2.943 646 1HG GLU 88 2HG GLU 88 19.067 15.607 4.605 647 2HG GLU 88 1HG GLU 88 19.553 14.156 5.471 648 H PHE 89 H PHE 89 17.400 11.593 1.953 649 HA PHE 89 HA PHE 89 19.517 10.235 0.456 650 1HB PHE 89 2HB PHE 89 16.797 9.132 1.187 651 2HB PHE 89 1HB PHE 89 17.949 8.360 0.099 652 HD1 PHE 89 1HD PHE 89 16.967 8.855 3.499 653 HD2 PHE 89 2HD PHE 89 20.229 7.741 1.003 654 HE1 PHE 89 1HE PHE 89 18.126 7.894 5.444 655 HE2 PHE 89 2HE PHE 89 21.383 6.758 2.941 656 HZ PHE 89 HZ PHE 89 20.328 6.847 5.166 657 H GLY 90 H GLY 90 17.963 9.250 -1.629 658 1HA GLY 90 1HA GLY 90 17.142 11.821 -2.827 659 2HA GLY 90 2HA GLY 90 17.989 10.550 -3.690 660 H ASP 91 H ASP 91 15.526 9.416 -1.622 661 HA ASP 91 HA ASP 91 13.724 9.177 -3.931 662 1HB ASP 91 2HB ASP 91 12.854 7.140 -2.542 663 2HB ASP 91 1HB ASP 91 14.271 6.986 -3.560 664 H GLU 92 H GLU 92 13.065 8.350 -0.587 665 HA GLU 92 HA GLU 92 11.445 9.017 0.877 666 1HB GLU 92 2HB GLU 92 11.957 11.537 -0.644 667 2HB GLU 92 1HB GLU 92 10.675 11.483 0.556 668 1HG GLU 92 2HG GLU 92 12.120 11.690 2.233 669 2HG GLU 92 1HG GLU 92 13.127 10.388 1.609 670 H ASP 93 H ASP 93 10.977 8.313 -2.101 671 HA ASP 93 HA ASP 93 8.125 9.004 -2.306 672 1HB ASP 93 2HB ASP 93 9.945 9.859 -3.963 673 2HB ASP 93 1HB ASP 93 9.904 8.223 -4.609 674 H GLU 94 H GLU 94 9.010 6.675 -0.881 675 HA GLU 94 HA GLU 94 8.968 4.429 -2.628 676 1HB GLU 94 2HB GLU 94 10.307 4.317 -0.641 677 2HB GLU 94 1HB GLU 94 8.891 4.566 0.372 678 1HG GLU 94 2HG GLU 94 8.024 2.398 -0.768 679 2HG GLU 94 1HG GLU 94 9.725 2.143 -1.156 680 H ARG 95 H ARG 95 6.583 5.559 -0.218 681 HA ARG 95 HA ARG 95 4.745 3.672 -1.517 682 1HB ARG 95 2HB ARG 95 5.931 3.477 1.020 683 2HB ARG 95 1HB ARG 95 4.230 3.825 1.281 684 1HG ARG 95 2HG ARG 95 4.977 1.731 -0.697 685 2HG ARG 95 1HG ARG 95 5.100 1.362 1.025 686 1HD ARG 95 2HD ARG 95 2.680 2.013 -0.613 687 2HD ARG 95 1HD ARG 95 2.953 0.669 0.501 688 HE ARG 95 HE ARG 95 2.553 3.458 1.381 689 1HH1 ARG 95 2HH1 ARG 95 2.068 0.009 1.815 690 2HH1 ARG 95 1HH1 ARG 95 1.267 0.197 3.341 691 1HH2 ARG 95 2HH2 ARG 95 1.498 3.683 3.384 692 2HH2 ARG 95 1HH2 ARG 95 0.898 2.277 4.207 693 H LEU 96 H LEU 96 2.878 4.378 -2.075 694 HA LEU 96 HA LEU 96 1.593 6.558 -0.585 695 1HB LEU 96 2HB LEU 96 1.102 7.728 -2.447 696 2HB LEU 96 1HB LEU 96 2.472 6.872 -3.127 697 HG LEU 96 HG LEU 96 0.330 5.161 -3.579 698 1HD1 LEU 96 1HD1 LEU 96 -0.572 7.833 -4.551 699 2HD1 LEU 96 2HD1 LEU 96 -1.499 6.353 -4.300 700 3HD1 LEU 96 3HD1 LEU 96 -0.987 7.319 -2.914 701 1HD2 LEU 96 1HD2 LEU 96 0.641 5.804 -5.924 702 2HD2 LEU 96 2HD2 LEU 96 1.583 7.202 -5.412 703 3HD2 LEU 96 3HD2 LEU 96 2.182 5.574 -5.098 704 H ILE 97 H ILE 97 -0.801 6.379 -0.608 705 HA ILE 97 HA ILE 97 -1.984 4.022 -1.676 706 HB ILE 97 HB ILE 97 -2.872 3.728 0.932 707 1HG1 ILE 97 2HG1 ILE 97 -0.362 3.053 1.768 708 2HG1 ILE 97 1HG1 ILE 97 -0.051 4.546 0.889 709 1HG2 ILE 97 1HG2 ILE 97 -1.701 1.536 0.777 710 2HG2 ILE 97 2HG2 ILE 97 -2.703 1.936 -0.623 711 3HG2 ILE 97 3HG2 ILE 97 -0.945 2.106 -0.710 712 1HD1 ILE 97 1HD1 ILE 97 -0.567 4.636 3.419 713 2HD1 ILE 97 2HD1 ILE 97 -1.313 5.817 2.341 714 3HD1 ILE 97 3HD1 ILE 97 -2.244 4.431 2.910 715 H THR 98 H THR 98 -4.164 4.122 -1.754 716 HA THR 98 HA THR 98 -5.437 6.380 -0.408 717 HB THR 98 HB THR 98 -5.315 5.840 -3.237 718 HG1 THR 98 1HG THR 98 -5.142 7.910 -2.564 719 1HG2 THR 98 1HG2 THR 98 -7.621 5.914 -3.854 720 2HG2 THR 98 2HG2 THR 98 -8.124 6.018 -2.167 721 3HG2 THR 98 3HG2 THR 98 -7.379 4.539 -2.778 722 H ARG 99 H ARG 99 -7.024 5.748 0.917 723 HA ARG 99 HA ARG 99 -7.581 2.932 1.192 724 1HB ARG 99 2HB ARG 99 -9.056 5.152 2.606 725 2HB ARG 99 1HB ARG 99 -8.783 3.504 3.152 726 1HG ARG 99 2HG ARG 99 -6.402 5.204 2.715 727 2HG ARG 99 1HG ARG 99 -7.428 5.572 4.100 728 1HD ARG 99 2HD ARG 99 -5.906 3.058 3.498 729 2HD ARG 99 1HD ARG 99 -5.827 4.079 4.932 730 HE ARG 99 HE ARG 99 -8.391 3.144 4.938 731 1HH1 ARG 99 2HH1 ARG 99 -5.194 1.686 4.905 732 2HH1 ARG 99 1HH1 ARG 99 -5.730 0.200 5.650 733 1HH2 ARG 99 2HH2 ARG 99 -9.084 1.217 5.950 734 2HH2 ARG 99 1HH2 ARG 99 -7.940 -0.063 6.245 735 H LEU 100 H LEU 100 -9.100 1.897 0.046 736 HA LEU 100 HA LEU 100 -11.294 3.537 -1.019 737 1HB LEU 100 2HB LEU 100 -9.525 2.142 -2.489 738 2HB LEU 100 1HB LEU 100 -10.785 0.936 -2.294 739 HG LEU 100 HG LEU 100 -12.382 2.808 -3.098 740 1HD1 LEU 100 1HD1 LEU 100 -9.920 4.201 -3.135 741 2HD1 LEU 100 2HD1 LEU 100 -10.454 4.007 -4.804 742 3HD1 LEU 100 3HD1 LEU 100 -11.514 4.776 -3.624 743 1HD2 LEU 100 1HD2 LEU 100 -11.603 2.350 -5.523 744 2HD2 LEU 100 2HD2 LEU 100 -10.428 1.279 -4.760 745 3HD2 LEU 100 3HD2 LEU 100 -12.153 1.003 -4.525 746 H GLU 101 H GLU 101 -13.218 2.341 -1.521 747 HA GLU 101 HA GLU 101 -13.899 0.440 0.620 748 1HB GLU 101 2HB GLU 101 -16.262 1.704 -0.168 749 2HB GLU 101 1HB GLU 101 -15.362 2.008 1.314 750 1HG GLU 101 2HG GLU 101 -13.971 3.586 -0.287 751 2HG GLU 101 1HG GLU 101 -15.473 3.576 -1.205 752 H ASN 102 H ASN 102 -14.855 -1.423 -0.017 753 HA ASN 102 HA ASN 102 -14.780 -2.186 -2.702 754 1HB ASN 102 2HB ASN 102 -14.942 -3.561 -0.421 755 2HB ASN 102 1HB ASN 102 -16.642 -3.633 -0.882 756 1HD2 ASN 102 1HD2 ASN 102 -14.617 -5.737 -0.700 757 2HD2 ASN 102 2HD2 ASN 102 -14.568 -6.480 -2.273 758 H THR 103 H THR 103 -17.802 -2.050 -0.780 759 HA THR 103 HA THR 103 -19.092 -0.719 -3.037 760 HB THR 103 HB THR 103 -21.024 -2.488 -2.127 761 HG1 THR 103 1HG THR 103 -18.927 -4.190 -2.817 762 1HG2 THR 103 1HG2 THR 103 -21.215 -2.304 -4.327 763 2HG2 THR 103 2HG2 THR 103 -20.084 -3.653 -4.404 764 3HG2 THR 103 3HG2 THR 103 -19.494 -1.999 -4.547 765 H GLN 104 H GLN 104 -21.086 -2.143 -0.650 766 HA GLN 104 HA GLN 104 -21.105 -0.012 1.239 767 1HB GLN 104 2HB GLN 104 -23.712 0.293 0.615 768 2HB GLN 104 1HB GLN 104 -22.450 1.348 0.000 769 1HG GLN 104 2HG GLN 104 -22.433 -0.580 -1.888 770 2HG GLN 104 1HG GLN 104 -24.128 -0.607 -1.400 771 1HE2 GLN 104 1HE2 GLN 104 -25.452 0.886 -2.185 772 2HE2 GLN 104 2HE2 GLN 104 -24.961 2.291 -3.088 773 H PHE 105 H PHE 105 -20.915 -1.570 2.722 774 HA PHE 105 HA PHE 105 -21.575 -4.074 2.856 775 1HB PHE 105 2HB PHE 105 -20.537 -2.638 4.695 776 2HB PHE 105 1HB PHE 105 -22.175 -2.480 5.326 777 HD1 PHE 105 1HD PHE 105 -23.434 -4.548 5.957 778 HD2 PHE 105 2HD PHE 105 -19.264 -4.580 5.094 779 HE1 PHE 105 1HE PHE 105 -23.210 -6.705 7.127 780 HE2 PHE 105 2HE PHE 105 -19.037 -6.737 6.253 781 HZ PHE 105 HZ PHE 105 -21.009 -7.800 7.272 782 H ASP 106 H ASP 106 -23.952 -1.747 4.115 783 HA ASP 106 HA ASP 106 -25.935 -3.241 5.015 784 1HB ASP 106 2HB ASP 106 -25.782 -0.648 4.064 785 2HB ASP 106 1HB ASP 106 -27.090 -1.351 3.125 786 H ALA 107 H ALA 107 -25.546 -2.612 1.546 787 HA ALA 107 HA ALA 107 -27.153 -5.032 1.054 788 1HB ALA 107 1HB ALA 107 -27.426 -3.518 -1.238 789 2HB ALA 107 2HB ALA 107 -28.631 -3.717 0.035 790 3HB ALA 107 3HB ALA 107 -27.534 -2.334 0.065 791 H ALA 108 H ALA 108 -24.209 -4.629 1.269 792 HA ALA 108 HA ALA 108 -23.433 -6.243 -0.931 793 1HB ALA 108 1HB ALA 108 -22.499 -3.375 -1.006 794 2HB ALA 108 2HB ALA 108 -21.853 -4.679 -2.003 795 3HB ALA 108 3HB ALA 108 -23.535 -4.177 -2.187 796 H ASN 109 H ASN 109 -20.653 -4.810 -0.731 797 HA ASN 109 HA ASN 109 -19.911 -5.928 1.893 798 1HB ASN 109 2HB ASN 109 -19.455 -7.412 -0.170 799 2HB ASN 109 1HB ASN 109 -18.179 -6.258 -0.543 800 1HD2 ASN 109 1HD2 ASN 109 -17.097 -8.474 -0.291 801 2HD2 ASN 109 2HD2 ASN 109 -16.406 -8.788 1.270 802 H GLY 110 H GLY 110 -20.276 -3.239 1.621 803 1HA GLY 110 1HA GLY 110 -17.552 -2.127 1.392 804 2HA GLY 110 2HA GLY 110 -19.031 -1.178 1.324 805 H ILE 111 H ILE 111 -18.476 0.212 3.021 806 HA ILE 111 HA ILE 111 -18.011 -1.016 5.643 807 HB ILE 111 HB ILE 111 -18.199 1.873 5.677 808 1HG1 ILE 111 2HG1 ILE 111 -15.662 1.386 4.434 809 2HG1 ILE 111 1HG1 ILE 111 -16.942 0.813 3.369 810 1HG2 ILE 111 1HG2 ILE 111 -16.643 -0.274 6.823 811 2HG2 ILE 111 2HG2 ILE 111 -15.628 1.095 6.369 812 3HG2 ILE 111 3HG2 ILE 111 -16.991 1.332 7.462 813 1HD1 ILE 111 1HD1 ILE 111 -17.895 2.928 3.183 814 2HD1 ILE 111 2HD1 ILE 111 -17.057 3.531 4.613 815 3HD1 ILE 111 3HD1 ILE 111 -16.158 3.231 3.125 816 H ASP 112 H ASP 112 -19.990 1.557 4.285 817 HA ASP 112 HA ASP 112 -22.288 0.540 5.786 818 1HB ASP 112 2HB ASP 112 -21.118 2.724 6.753 819 2HB ASP 112 1HB ASP 112 -22.023 3.504 5.463 820 H ASP 113 H ASP 113 -24.271 2.053 4.855 821 HA ASP 113 HA ASP 113 -24.234 1.436 2.012 822 1HB ASP 113 2HB ASP 113 -26.170 0.932 3.657 823 2HB ASP 113 1HB ASP 113 -26.564 2.640 3.479 824 H GLU 114 H GLU 114 -24.479 2.911 0.382 825 HA GLU 114 HA GLU 114 -24.602 5.744 1.081 826 1HB GLU 114 2HB GLU 114 -22.180 4.705 0.648 827 2HB GLU 114 1HB GLU 114 -22.651 4.950 -1.028 828 1HG GLU 114 2HG GLU 114 -21.452 6.870 -0.385 829 2HG GLU 114 1HG GLU 114 -23.151 7.338 -0.431 Start of MODEL 15 1 1H GLY 1 1H GLY 1 -21.107 -5.752 -11.615 2 2H GLY 1 2H GLY 1 -22.619 -6.511 -11.710 3 3H GLY 1 3H GLY 1 -21.253 -7.258 -12.382 4 1HA GLY 1 2HA GLY 1 -21.319 -6.617 -9.510 5 2HA GLY 1 1HA GLY 1 -22.126 -8.060 -10.107 6 H SER 2 H SER 2 -19.055 -6.417 -10.852 7 HA SER 2 HA SER 2 -17.726 -9.026 -10.618 8 1HB SER 2 2HB SER 2 -16.313 -6.785 -11.941 9 2HB SER 2 1HB SER 2 -16.411 -8.484 -12.404 10 HG SER 2 HG SER 2 -17.899 -6.370 -13.247 11 H LEU 3 H LEU 3 -15.929 -9.257 -9.353 12 HA LEU 3 HA LEU 3 -15.383 -7.043 -7.497 13 1HB LEU 3 2HB LEU 3 -14.810 -10.001 -7.318 14 2HB LEU 3 1HB LEU 3 -14.228 -8.830 -6.151 15 HG LEU 3 HG LEU 3 -17.090 -8.596 -6.498 16 1HD1 LEU 3 1HD1 LEU 3 -17.839 -10.686 -6.347 17 2HD1 LEU 3 2HD1 LEU 3 -16.215 -11.205 -6.801 18 3HD1 LEU 3 3HD1 LEU 3 -16.663 -11.096 -5.098 19 1HD2 LEU 3 1HD2 LEU 3 -15.515 -9.453 -4.081 20 2HD2 LEU 3 2HD2 LEU 3 -15.627 -7.777 -4.615 21 3HD2 LEU 3 3HD2 LEU 3 -17.082 -8.646 -4.127 22 H LEU 4 H LEU 4 -12.896 -7.683 -6.622 23 HA LEU 4 HA LEU 4 -11.182 -7.766 -8.964 24 1HB LEU 4 2HB LEU 4 -9.813 -5.977 -8.117 25 2HB LEU 4 1HB LEU 4 -11.418 -5.480 -8.602 26 HG LEU 4 HG LEU 4 -10.964 -6.176 -5.787 27 1HD1 LEU 4 1HD1 LEU 4 -9.092 -4.698 -6.835 28 2HD1 LEU 4 2HD1 LEU 4 -10.301 -3.420 -6.695 29 3HD1 LEU 4 3HD1 LEU 4 -9.764 -4.290 -5.254 30 1HD2 LEU 4 1HD2 LEU 4 -12.499 -3.897 -7.023 31 2HD2 LEU 4 2HD2 LEU 4 -13.193 -5.478 -6.664 32 3HD2 LEU 4 3HD2 LEU 4 -12.584 -4.465 -5.353 33 H THR 5 H THR 5 -8.972 -8.211 -8.523 34 HA THR 5 HA THR 5 -8.712 -9.892 -6.106 35 HB THR 5 HB THR 5 -6.904 -10.854 -8.035 36 HG1 THR 5 1HG THR 5 -9.542 -10.546 -9.108 37 1HG2 THR 5 1HG2 THR 5 -8.816 -12.712 -8.047 38 2HG2 THR 5 2HG2 THR 5 -9.353 -11.778 -6.651 39 3HG2 THR 5 3HG2 THR 5 -7.732 -12.476 -6.674 40 H CYS 6 H CYS 6 -6.900 -9.750 -4.913 41 HA CYS 6 HA CYS 6 -5.155 -7.529 -5.445 42 1HB CYS 6 2HB CYS 6 -5.180 -7.397 -3.219 43 2HB CYS 6 1HB CYS 6 -6.213 -8.817 -3.170 44 H GLY 7 H GLY 7 -2.900 -7.650 -5.589 45 1HA GLY 7 1HA GLY 7 -2.013 -9.985 -7.019 46 2HA GLY 7 2HA GLY 7 -1.100 -8.505 -6.762 47 H GLY 8 H GLY 8 -2.129 -9.374 -3.781 48 1HA GLY 8 1HA GLY 8 0.471 -10.578 -3.179 49 2HA GLY 8 2HA GLY 8 -0.648 -9.887 -2.014 50 H CYS 9 H CYS 9 -2.943 -11.173 -2.342 51 HA CYS 9 HA CYS 9 -2.201 -13.971 -1.810 52 1HB CYS 9 2HB CYS 9 -4.005 -14.110 -0.263 53 2HB CYS 9 1HB CYS 9 -3.165 -12.605 0.084 54 H GLN 10 H GLN 10 -4.313 -11.875 -3.592 55 HA GLN 10 HA GLN 10 -5.748 -12.189 -5.308 56 1HB GLN 10 2HB GLN 10 -3.622 -13.828 -5.841 57 2HB GLN 10 1HB GLN 10 -4.978 -14.943 -5.941 58 1HG GLN 10 2HG GLN 10 -5.549 -14.167 -7.927 59 2HG GLN 10 1HG GLN 10 -5.611 -12.515 -7.318 60 1HE2 GLN 10 1HE2 GLN 10 -3.231 -11.693 -6.852 61 2HE2 GLN 10 2HE2 GLN 10 -2.152 -11.887 -8.207 62 H GLN 11 H GLN 11 -6.458 -13.153 -2.568 63 HA GLN 11 HA GLN 11 -8.229 -15.394 -3.082 64 1HB GLN 11 2HB GLN 11 -8.583 -15.479 -0.773 65 2HB GLN 11 1HB GLN 11 -6.915 -14.954 -0.923 66 1HG GLN 11 2HG GLN 11 -7.313 -13.053 0.154 67 2HG GLN 11 1HG GLN 11 -8.748 -12.715 -0.813 68 1HE2 GLN 11 1HE2 GLN 11 -10.731 -13.200 -0.025 69 2HE2 GLN 11 2HE2 GLN 11 -11.016 -13.789 1.580 70 H ASN 12 H ASN 12 -8.575 -12.647 -4.310 71 HA ASN 12 HA ASN 12 -10.300 -11.409 -5.106 72 1HB ASN 12 2HB ASN 12 -11.597 -13.526 -5.140 73 2HB ASN 12 1HB ASN 12 -12.126 -13.204 -3.491 74 1HD2 ASN 12 1HD2 ASN 12 -12.446 -12.350 -6.830 75 2HD2 ASN 12 2HD2 ASN 12 -13.844 -11.333 -6.646 76 H ILE 13 H ILE 13 -10.642 -9.405 -4.494 77 HA ILE 13 HA ILE 13 -10.619 -8.750 -1.679 78 HB ILE 13 HB ILE 13 -10.844 -6.869 -4.011 79 1HG1 ILE 13 2HG1 ILE 13 -8.266 -7.409 -2.610 80 2HG1 ILE 13 1HG1 ILE 13 -8.812 -8.537 -3.842 81 1HG2 ILE 13 1HG2 ILE 13 -11.010 -6.427 -1.258 82 2HG2 ILE 13 2HG2 ILE 13 -9.396 -5.885 -1.730 83 3HG2 ILE 13 3HG2 ILE 13 -10.825 -5.215 -2.530 84 1HD1 ILE 13 1HD1 ILE 13 -8.760 -5.643 -4.494 85 2HD1 ILE 13 2HD1 ILE 13 -7.238 -6.534 -4.437 86 3HD1 ILE 13 3HD1 ILE 13 -8.520 -7.045 -5.540 87 H GLY 14 H GLY 14 -12.517 -9.257 -0.765 88 1HA GLY 14 1HA GLY 14 -14.944 -7.978 -1.870 89 2HA GLY 14 2HA GLY 14 -14.960 -9.443 -0.888 90 H ASP 15 H ASP 15 -12.705 -7.074 -0.101 91 HA ASP 15 HA ASP 15 -13.687 -6.778 2.537 92 1HB ASP 15 2HB ASP 15 -11.518 -5.280 1.046 93 2HB ASP 15 1HB ASP 15 -11.792 -5.179 2.783 94 H ARG 16 H ARG 16 -13.408 -4.267 3.344 95 HA ARG 16 HA ARG 16 -15.525 -2.829 1.909 96 1HB ARG 16 2HB ARG 16 -15.179 -1.331 4.114 97 2HB ARG 16 1HB ARG 16 -16.276 -2.698 4.048 98 1HG ARG 16 2HG ARG 16 -15.169 -3.687 5.692 99 2HG ARG 16 1HG ARG 16 -13.679 -3.641 4.750 100 1HD ARG 16 2HD ARG 16 -14.195 -1.025 5.734 101 2HD ARG 16 1HD ARG 16 -14.353 -2.160 7.074 102 HE ARG 16 HE ARG 16 -11.975 -2.410 5.403 103 1HH1 ARG 16 2HH1 ARG 16 -13.417 -1.305 8.400 104 2HH1 ARG 16 1HH1 ARG 16 -11.888 -1.118 9.211 105 1HH2 ARG 16 2HH2 ARG 16 -9.962 -2.154 6.452 106 2HH2 ARG 16 1HH2 ARG 16 -9.926 -1.628 8.114 107 H TYR 17 H TYR 17 -12.202 -2.643 2.939 108 HA TYR 17 HA TYR 17 -11.860 -0.210 1.323 109 1HB TYR 17 2HB TYR 17 -11.763 -0.184 4.065 110 2HB TYR 17 1HB TYR 17 -10.077 -0.475 3.657 111 HD1 TYR 17 1HD TYR 17 -8.754 1.393 3.569 112 HD2 TYR 17 2HD TYR 17 -12.846 1.745 2.458 113 HE1 TYR 17 1HE TYR 17 -8.436 3.799 3.179 114 HE2 TYR 17 2HE TYR 17 -12.538 4.153 2.058 115 HH TYR 17 HH TYR 17 -11.113 5.854 2.041 116 H PHE 18 H PHE 18 -9.892 -0.153 0.154 117 HA PHE 18 HA PHE 18 -8.002 -2.321 0.557 118 1HB PHE 18 2HB PHE 18 -8.260 -3.366 -1.542 119 2HB PHE 18 1HB PHE 18 -9.886 -3.195 -0.895 120 HD1 PHE 18 1HD PHE 18 -7.874 -2.792 -3.716 121 HD2 PHE 18 2HD PHE 18 -11.141 -0.981 -1.677 122 HE1 PHE 18 1HE PHE 18 -8.568 -1.697 -5.803 123 HE2 PHE 18 2HE PHE 18 -11.843 0.102 -3.763 124 HZ PHE 18 HZ PHE 18 -10.556 -0.251 -5.828 125 H LEU 19 H LEU 19 -6.450 -2.260 -1.543 126 HA LEU 19 HA LEU 19 -5.703 0.539 -2.025 127 1HB LEU 19 2HB LEU 19 -4.138 -1.684 -0.794 128 2HB LEU 19 1HB LEU 19 -3.297 -0.547 -1.822 129 HG LEU 19 HG LEU 19 -4.969 0.413 0.472 130 1HD1 LEU 19 1HD1 LEU 19 -2.715 0.503 1.696 131 2HD1 LEU 19 2HD1 LEU 19 -3.555 -1.045 1.616 132 3HD1 LEU 19 3HD1 LEU 19 -2.195 -0.725 0.540 133 1HD2 LEU 19 1HD2 LEU 19 -3.521 1.664 -1.557 134 2HD2 LEU 19 2HD2 LEU 19 -4.192 2.411 -0.107 135 3HD2 LEU 19 3HD2 LEU 19 -2.529 1.827 -0.111 136 H LYS 20 H LYS 20 -4.751 0.910 -4.051 137 HA LYS 20 HA LYS 20 -3.719 -1.219 -5.630 138 1HB LYS 20 2HB LYS 20 -5.557 -1.861 -6.734 139 2HB LYS 20 1HB LYS 20 -6.528 -0.659 -5.907 140 1HG LYS 20 2HG LYS 20 -4.885 0.237 -8.211 141 2HG LYS 20 1HG LYS 20 -6.311 -0.744 -8.538 142 1HD LYS 20 2HD LYS 20 -6.291 1.818 -6.940 143 2HD LYS 20 1HD LYS 20 -6.802 1.667 -8.622 144 1HE LYS 20 2HE LYS 20 -8.075 -0.109 -6.614 145 2HE LYS 20 1HE LYS 20 -8.523 1.595 -6.605 146 1HZ LYS 20 1HZ LYS 20 -9.747 1.329 -8.420 147 2HZ LYS 20 2HZ LYS 20 -9.573 -0.350 -8.218 148 3HZ LYS 20 3HZ LYS 20 -8.517 0.501 -9.244 149 H ALA 21 H ALA 21 -2.538 -0.383 -7.486 150 HA ALA 21 HA ALA 21 -2.770 2.122 -8.612 151 1HB ALA 21 1HB ALA 21 -0.565 3.074 -7.387 152 2HB ALA 21 2HB ALA 21 -2.215 3.512 -6.938 153 3HB ALA 21 3HB ALA 21 -1.358 2.258 -6.040 154 H ILE 22 H ILE 22 -0.297 -0.026 -7.314 155 HA ILE 22 HA ILE 22 1.872 0.502 -8.797 156 HB ILE 22 HB ILE 22 0.806 -2.182 -7.944 157 1HG1 ILE 22 2HG1 ILE 22 2.784 -0.218 -6.782 158 2HG1 ILE 22 1HG1 ILE 22 1.279 -0.789 -6.079 159 1HG2 ILE 22 1HG2 ILE 22 3.648 -2.205 -8.281 160 2HG2 ILE 22 2HG2 ILE 22 2.426 -3.269 -8.986 161 3HG2 ILE 22 3HG2 ILE 22 2.866 -1.765 -9.800 162 1HD1 ILE 22 1HD1 ILE 22 2.494 -2.234 -4.929 163 2HD1 ILE 22 2HD1 ILE 22 2.776 -3.092 -6.443 164 3HD1 ILE 22 3HD1 ILE 22 3.936 -1.888 -5.884 165 H ASP 23 H ASP 23 -0.809 -1.514 -9.860 166 HA ASP 23 HA ASP 23 -0.820 -0.920 -12.539 167 1HB ASP 23 2HB ASP 23 1.383 -1.835 -12.855 168 2HB ASP 23 1HB ASP 23 0.996 -3.258 -11.898 169 H GLN 24 H GLN 24 -1.330 -2.919 -9.905 170 HA GLN 24 HA GLN 24 -3.679 -4.187 -11.122 171 1HB GLN 24 2HB GLN 24 -3.143 -6.255 -9.997 172 2HB GLN 24 1HB GLN 24 -1.747 -5.767 -10.938 173 1HG GLN 24 2HG GLN 24 -2.077 -5.397 -7.968 174 2HG GLN 24 1HG GLN 24 -1.129 -6.658 -8.745 175 1HE2 GLN 24 1HE2 GLN 24 0.928 -6.208 -9.378 176 2HE2 GLN 24 2HE2 GLN 24 1.682 -4.660 -9.192 177 H TYR 25 H TYR 25 -4.568 -5.501 -8.848 178 HA TYR 25 HA TYR 25 -5.157 -3.241 -7.051 179 1HB TYR 25 2HB TYR 25 -6.784 -5.766 -7.175 180 2HB TYR 25 1HB TYR 25 -7.253 -4.181 -6.568 181 HD1 TYR 25 1HD TYR 25 -8.281 -6.284 -8.857 182 HD2 TYR 25 2HD TYR 25 -6.527 -2.399 -8.773 183 HE1 TYR 25 1HE TYR 25 -9.289 -5.783 -11.039 184 HE2 TYR 25 2HE TYR 25 -7.547 -1.891 -10.955 185 HH TYR 25 HH TYR 25 -8.658 -4.125 -13.018 186 H TRP 26 H TRP 26 -5.365 -3.729 -4.779 187 HA TRP 26 HA TRP 26 -3.876 -6.095 -3.897 188 1HB TRP 26 2HB TRP 26 -3.400 -3.262 -2.939 189 2HB TRP 26 1HB TRP 26 -2.634 -4.704 -2.285 190 HD1 TRP 26 HD TRP 26 -2.406 -2.227 -5.116 191 HE1 TRP 26 1HE TRP 26 -0.296 -2.728 -6.503 192 HE3 TRP 26 3HE TRP 26 -1.135 -6.716 -3.043 193 HZ2 TRP 26 2HZ TRP 26 1.653 -4.768 -6.684 194 HZ3 TRP 26 3HZ TRP 26 0.859 -7.886 -3.882 195 HH2 TRP 26 HH TRP 26 2.228 -6.925 -5.665 196 H HIS 27 H HIS 27 -3.784 -5.601 -1.302 197 HA HIS 27 HA HIS 27 -6.568 -5.239 -0.418 198 1HB HIS 27 2HB HIS 27 -4.635 -7.407 0.142 199 2HB HIS 27 1HB HIS 27 -5.460 -6.768 1.557 200 HD2 HIS 27 2HD HIS 27 -8.432 -6.487 0.610 201 HE1 HIS 27 1HE HIS 27 -8.044 -10.479 -0.746 202 HE2 HIS 27 2HE HIS 27 -9.657 -8.726 0.159 203 H GLU 28 H GLU 28 -6.515 -4.710 2.062 204 HA GLU 28 HA GLU 28 -5.074 -2.309 2.358 205 1HB GLU 28 2HB GLU 28 -6.900 -3.954 4.003 206 2HB GLU 28 1HB GLU 28 -5.855 -2.847 4.872 207 1HG GLU 28 2HG GLU 28 -6.692 -1.015 3.412 208 2HG GLU 28 1HG GLU 28 -7.838 -2.165 2.724 209 H ASP 29 H ASP 29 -4.656 -5.512 3.887 210 HA ASP 29 HA ASP 29 -2.012 -4.589 4.819 211 1HB ASP 29 2HB ASP 29 -3.923 -5.363 6.451 212 2HB ASP 29 1HB ASP 29 -3.367 -6.974 6.010 213 H CYS 30 H CYS 30 -2.931 -6.026 2.238 214 HA CYS 30 HA CYS 30 -1.267 -8.419 2.402 215 1HB CYS 30 2HB CYS 30 -3.216 -7.349 0.435 216 2HB CYS 30 1HB CYS 30 -1.887 -8.310 -0.203 217 H LEU 31 H LEU 31 -1.440 -5.360 0.658 218 HA LEU 31 HA LEU 31 1.197 -5.612 -0.453 219 1HB LEU 31 2HB LEU 31 -0.230 -4.270 -1.734 220 2HB LEU 31 1HB LEU 31 -0.861 -3.434 -0.327 221 HG LEU 31 HG LEU 31 1.824 -2.762 -0.314 222 1HD1 LEU 31 1HD1 LEU 31 0.933 -3.346 -3.053 223 2HD1 LEU 31 2HD1 LEU 31 1.716 -1.781 -2.823 224 3HD1 LEU 31 3HD1 LEU 31 2.560 -3.265 -2.374 225 1HD2 LEU 31 1HD2 LEU 31 -0.480 -1.245 -1.527 226 2HD2 LEU 31 2HD2 LEU 31 -0.085 -1.313 0.191 227 3HD2 LEU 31 3HD2 LEU 31 1.035 -0.555 -0.943 228 H SER 32 H SER 32 2.862 -5.629 0.900 229 HA SER 32 HA SER 32 3.165 -3.451 2.808 230 1HB SER 32 2HB SER 32 3.990 -5.921 4.074 231 2HB SER 32 1HB SER 32 2.902 -4.673 4.676 232 HG SER 32 HG SER 32 1.733 -6.162 2.732 233 H CYS 33 H CYS 33 5.424 -4.081 4.040 234 HA CYS 33 HA CYS 33 7.494 -3.729 2.245 235 1HB CYS 33 2HB CYS 33 7.153 -4.383 5.096 236 2HB CYS 33 1HB CYS 33 8.686 -4.895 4.412 237 H ASP 34 H ASP 34 7.932 -5.081 0.627 238 HA ASP 34 HA ASP 34 7.206 -7.805 0.656 239 1HB ASP 34 2HB ASP 34 7.249 -6.186 -1.316 240 2HB ASP 34 1HB ASP 34 8.975 -6.514 -1.407 241 H LEU 35 H LEU 35 10.434 -6.592 -0.224 242 HA LEU 35 HA LEU 35 11.799 -9.001 0.097 243 1HB LEU 35 2HB LEU 35 12.893 -7.247 -1.072 244 2HB LEU 35 1HB LEU 35 12.687 -6.120 0.264 245 HG LEU 35 HG LEU 35 14.222 -8.142 1.366 246 1HD1 LEU 35 1HD1 LEU 35 14.504 -9.006 -0.983 247 2HD1 LEU 35 2HD1 LEU 35 15.372 -7.514 -1.342 248 3HD1 LEU 35 3HD1 LEU 35 15.998 -8.628 -0.126 249 1HD2 LEU 35 1HD2 LEU 35 15.988 -6.483 1.366 250 2HD2 LEU 35 2HD2 LEU 35 15.166 -5.574 0.096 251 3HD2 LEU 35 3HD2 LEU 35 14.436 -5.712 1.697 252 H CYS 36 H CYS 36 11.323 -6.347 2.277 253 HA CYS 36 HA CYS 36 12.770 -7.236 4.484 254 1HB CYS 36 2HB CYS 36 10.467 -5.578 5.047 255 2HB CYS 36 1HB CYS 36 12.185 -5.159 5.081 256 H GLY 37 H GLY 37 9.404 -7.624 3.534 257 1HA GLY 37 1HA GLY 37 7.894 -9.261 4.067 258 2HA GLY 37 2HA GLY 37 9.177 -10.071 4.954 259 H CYS 38 H CYS 38 8.382 -6.804 5.848 260 HA CYS 38 HA CYS 38 7.249 -7.870 8.323 261 1HB CYS 38 2HB CYS 38 7.516 -5.222 8.828 262 2HB CYS 38 1HB CYS 38 8.780 -6.410 9.112 263 HG CYS 38 HG CYS 38 8.531 -4.324 6.401 264 H ARG 39 H ARG 39 6.448 -4.628 7.729 265 HA ARG 39 HA ARG 39 4.045 -5.012 6.284 266 1HB ARG 39 2HB ARG 39 2.451 -4.777 7.959 267 2HB ARG 39 1HB ARG 39 3.584 -5.915 8.656 268 1HG ARG 39 2HG ARG 39 4.081 -4.545 10.341 269 2HG ARG 39 1HG ARG 39 4.209 -3.142 9.280 270 1HD ARG 39 2HD ARG 39 2.316 -3.321 11.117 271 2HD ARG 39 1HD ARG 39 2.025 -2.553 9.557 272 HE ARG 39 HE ARG 39 0.780 -4.437 8.881 273 1HH1 ARG 39 2HH1 ARG 39 1.851 -4.619 12.209 274 2HH1 ARG 39 1HH1 ARG 39 0.790 -5.935 12.618 275 1HH2 ARG 39 2HH2 ARG 39 -0.639 -6.166 9.412 276 2HH2 ARG 39 1HH2 ARG 39 -0.596 -6.840 11.018 277 H LEU 40 H LEU 40 2.744 -2.908 6.316 278 HA LEU 40 HA LEU 40 4.661 -0.713 6.183 279 1HB LEU 40 2HB LEU 40 1.768 -0.822 5.329 280 2HB LEU 40 1HB LEU 40 2.874 0.505 5.028 281 HG LEU 40 HG LEU 40 3.231 -2.285 3.936 282 1HD1 LEU 40 1HD1 LEU 40 2.404 -1.497 1.861 283 2HD1 LEU 40 2HD1 LEU 40 1.216 -1.056 3.087 284 3HD1 LEU 40 3HD1 LEU 40 2.317 0.164 2.449 285 1HD2 LEU 40 1HD2 LEU 40 4.599 -0.399 2.400 286 2HD2 LEU 40 2HD2 LEU 40 4.941 0.025 4.077 287 3HD2 LEU 40 3HD2 LEU 40 5.292 -1.600 3.488 288 H GLY 41 H GLY 41 4.974 0.413 7.971 289 1HA GLY 41 1HA GLY 41 2.625 1.355 9.460 290 2HA GLY 41 2HA GLY 41 3.869 0.481 10.350 291 H GLU 42 H GLU 42 6.138 1.457 9.103 292 HA GLU 42 HA GLU 42 6.244 4.164 10.178 293 1HB GLU 42 2HB GLU 42 8.373 2.279 9.154 294 2HB GLU 42 1HB GLU 42 8.707 3.925 9.678 295 1HG GLU 42 2HG GLU 42 7.613 1.683 11.357 296 2HG GLU 42 1HG GLU 42 9.225 2.396 11.452 297 H VAL 43 H VAL 43 4.641 4.358 8.160 298 HA VAL 43 HA VAL 43 6.254 5.411 5.929 299 HB VAL 43 HB VAL 43 4.154 4.786 4.515 300 1HG1 VAL 43 1HG1 VAL 43 5.196 2.818 3.781 301 2HG1 VAL 43 2HG1 VAL 43 6.505 3.817 4.414 302 3HG1 VAL 43 3HG1 VAL 43 5.872 2.479 5.374 303 1HG2 VAL 43 1HG2 VAL 43 3.837 3.027 6.930 304 2HG2 VAL 43 2HG2 VAL 43 2.631 4.041 6.140 305 3HG2 VAL 43 3HG2 VAL 43 3.200 2.570 5.349 306 H GLY 44 H GLY 44 4.462 6.585 4.421 307 1HA GLY 44 1HA GLY 44 3.025 8.475 6.170 308 2HA GLY 44 2HA GLY 44 3.725 8.925 4.615 309 H ARG 45 H ARG 45 1.400 9.647 4.278 310 HA ARG 45 HA ARG 45 -0.579 7.610 3.877 311 1HB ARG 45 2HB ARG 45 -2.028 9.297 3.239 312 2HB ARG 45 1HB ARG 45 -0.928 10.158 4.296 313 1HG ARG 45 2HG ARG 45 -0.061 11.403 2.617 314 2HG ARG 45 1HG ARG 45 -0.240 10.118 1.423 315 1HD ARG 45 2HD ARG 45 -2.053 12.299 2.127 316 2HD ARG 45 1HD ARG 45 -1.931 11.360 0.641 317 HE ARG 45 HE ARG 45 -3.144 9.575 2.086 318 1HH1 ARG 45 2HH1 ARG 45 -3.688 13.034 2.190 319 2HH1 ARG 45 1HH1 ARG 45 -5.334 12.890 2.722 320 1HH2 ARG 45 2HH2 ARG 45 -5.318 9.372 2.741 321 2HH2 ARG 45 1HH2 ARG 45 -6.266 10.801 3.039 322 H ARG 46 H ARG 46 2.148 8.466 2.221 323 HA ARG 46 HA ARG 46 1.157 7.474 -0.363 324 1HB ARG 46 2HB ARG 46 3.926 8.537 -0.024 325 2HB ARG 46 1HB ARG 46 2.867 8.603 -1.426 326 1HG ARG 46 2HG ARG 46 1.480 10.167 0.257 327 2HG ARG 46 1HG ARG 46 3.121 10.454 0.847 328 1HD ARG 46 2HD ARG 46 3.251 11.970 -0.791 329 2HD ARG 46 1HD ARG 46 3.442 10.585 -1.863 330 HE ARG 46 HE ARG 46 0.697 11.122 -1.444 331 1HH1 ARG 46 2HH1 ARG 46 3.521 12.234 -3.186 332 2HH1 ARG 46 1HH1 ARG 46 2.606 13.062 -4.416 333 1HH2 ARG 46 2HH2 ARG 46 -0.527 12.186 -3.062 334 2HH2 ARG 46 1HH2 ARG 46 0.296 13.034 -4.339 335 H LEU 47 H LEU 47 3.476 6.451 -1.411 336 HA LEU 47 HA LEU 47 4.793 4.727 0.447 337 1HB LEU 47 2HB LEU 47 2.421 3.726 -0.250 338 2HB LEU 47 1HB LEU 47 3.346 3.183 -1.636 339 HG LEU 47 HG LEU 47 4.966 2.402 0.411 340 1HD1 LEU 47 1HD1 LEU 47 3.501 1.298 2.056 341 2HD1 LEU 47 2HD1 LEU 47 3.404 3.056 2.123 342 3HD1 LEU 47 3HD1 LEU 47 2.118 2.132 1.348 343 1HD2 LEU 47 1HD2 LEU 47 4.030 0.143 0.014 344 2HD2 LEU 47 2HD2 LEU 47 2.714 0.883 -0.896 345 3HD2 LEU 47 3HD2 LEU 47 4.373 1.023 -1.476 346 H TYR 48 H TYR 48 6.060 3.006 -0.879 347 HA TYR 48 HA TYR 48 6.809 3.958 -3.516 348 1HB TYR 48 2HB TYR 48 8.376 5.088 -1.950 349 2HB TYR 48 1HB TYR 48 8.858 3.514 -1.326 350 HD1 TYR 48 1HD TYR 48 10.404 2.145 -2.505 351 HD2 TYR 48 2HD TYR 48 8.951 5.725 -4.279 352 HE1 TYR 48 1HE TYR 48 12.123 1.967 -4.246 353 HE2 TYR 48 2HE TYR 48 10.668 5.556 -6.035 354 HH TYR 48 HH TYR 48 12.801 4.532 -6.447 355 H TYR 49 H TYR 49 7.604 2.330 -4.816 356 HA TYR 49 HA TYR 49 8.001 -0.320 -3.683 357 1HB TYR 49 2HB TYR 49 6.406 -1.410 -5.063 358 2HB TYR 49 1HB TYR 49 5.553 -0.053 -4.330 359 HD1 TYR 49 1HD TYR 49 5.420 2.120 -5.775 360 HD2 TYR 49 2HD TYR 49 6.295 -1.738 -7.347 361 HE1 TYR 49 1HE TYR 49 4.717 2.875 -8.005 362 HE2 TYR 49 2HE TYR 49 5.599 -0.984 -9.584 363 HH TYR 49 HH TYR 49 5.274 0.961 -10.848 364 H LYS 50 H LYS 50 9.106 -1.745 -5.180 365 HA LYS 50 HA LYS 50 10.984 -0.321 -6.841 366 1HB LYS 50 2HB LYS 50 11.251 -2.522 -5.345 367 2HB LYS 50 1HB LYS 50 10.842 -3.293 -6.871 368 1HG LYS 50 2HG LYS 50 12.708 -2.012 -7.925 369 2HG LYS 50 1HG LYS 50 13.170 -1.476 -6.308 370 1HD LYS 50 2HD LYS 50 13.401 -3.845 -5.634 371 2HD LYS 50 1HD LYS 50 13.034 -4.326 -7.291 372 1HE LYS 50 2HE LYS 50 15.014 -2.660 -7.829 373 2HE LYS 50 1HE LYS 50 15.475 -3.048 -6.173 374 1HZ LYS 50 1HZ LYS 50 15.068 -4.993 -8.382 375 2HZ LYS 50 2HZ LYS 50 15.432 -5.404 -6.778 376 3HZ LYS 50 3HZ LYS 50 16.554 -4.535 -7.703 377 H LEU 51 H LEU 51 11.364 -0.859 -9.072 378 HA LEU 51 HA LEU 51 9.499 -0.276 -10.794 379 1HB LEU 51 2HB LEU 51 10.749 -1.132 -12.557 380 2HB LEU 51 1HB LEU 51 11.906 -0.824 -11.278 381 HG LEU 51 HG LEU 51 10.770 -3.573 -11.691 382 1HD1 LEU 51 1HD1 LEU 51 12.099 -2.231 -13.681 383 2HD1 LEU 51 2HD1 LEU 51 13.396 -3.096 -12.858 384 3HD1 LEU 51 3HD1 LEU 51 12.012 -3.983 -13.499 385 1HD2 LEU 51 1HD2 LEU 51 13.118 -2.360 -10.297 386 2HD2 LEU 51 2HD2 LEU 51 11.928 -3.515 -9.693 387 3HD2 LEU 51 3HD2 LEU 51 13.175 -4.041 -10.828 388 H GLY 52 H GLY 52 9.836 -3.672 -9.759 389 1HA GLY 52 1HA GLY 52 7.105 -4.078 -10.777 390 2HA GLY 52 2HA GLY 52 8.367 -5.240 -11.156 391 H ARG 53 H ARG 53 8.756 -3.922 -8.061 392 HA ARG 53 HA ARG 53 7.305 -6.184 -6.853 393 1HB ARG 53 2HB ARG 53 10.009 -5.151 -5.975 394 2HB ARG 53 1HB ARG 53 9.108 -6.470 -5.238 395 1HG ARG 53 2HG ARG 53 9.328 -7.159 -7.925 396 2HG ARG 53 1HG ARG 53 10.900 -6.496 -7.482 397 1HD ARG 53 2HD ARG 53 10.208 -8.100 -5.332 398 2HD ARG 53 1HD ARG 53 9.650 -9.010 -6.735 399 HE ARG 53 HE ARG 53 12.262 -8.063 -7.197 400 1HH1 ARG 53 2HH1 ARG 53 10.537 -10.421 -5.254 401 2HH1 ARG 53 1HH1 ARG 53 11.877 -11.524 -5.174 402 1HH2 ARG 53 2HH2 ARG 53 14.031 -9.524 -7.102 403 2HH2 ARG 53 1HH2 ARG 53 13.860 -11.017 -6.224 404 H LYS 54 H LYS 54 6.361 -5.798 -4.857 405 HA LYS 54 HA LYS 54 5.955 -2.973 -4.240 406 1HB LYS 54 2HB LYS 54 4.397 -4.182 -2.438 407 2HB LYS 54 1HB LYS 54 3.886 -3.934 -4.101 408 1HG LYS 54 2HG LYS 54 3.510 -6.109 -4.239 409 2HG LYS 54 1HG LYS 54 5.249 -6.371 -4.102 410 1HD LYS 54 2HD LYS 54 5.125 -6.712 -1.781 411 2HD LYS 54 1HD LYS 54 3.504 -6.022 -1.682 412 1HE LYS 54 2HE LYS 54 3.337 -8.408 -1.467 413 2HE LYS 54 1HE LYS 54 2.662 -7.930 -3.026 414 1HZ LYS 54 1HZ LYS 54 4.631 -8.659 -4.126 415 2HZ LYS 54 2HZ LYS 54 4.113 -9.919 -3.118 416 3HZ LYS 54 3HZ LYS 54 5.429 -8.950 -2.653 417 H LEU 55 H LEU 55 8.494 -3.554 -3.688 418 HA LEU 55 HA LEU 55 8.579 -3.882 -0.769 419 1HB LEU 55 2HB LEU 55 10.434 -5.079 -1.046 420 2HB LEU 55 1HB LEU 55 10.219 -4.970 -2.779 421 HG LEU 55 HG LEU 55 11.443 -2.561 -2.034 422 1HD1 LEU 55 1HD1 LEU 55 12.283 -4.828 -0.341 423 2HD1 LEU 55 2HD1 LEU 55 13.571 -3.865 -1.066 424 3HD1 LEU 55 3HD1 LEU 55 12.361 -3.092 -0.040 425 1HD2 LEU 55 1HD2 LEU 55 12.857 -4.972 -3.123 426 2HD2 LEU 55 2HD2 LEU 55 11.680 -4.064 -4.076 427 3HD2 LEU 55 3HD2 LEU 55 13.142 -3.268 -3.486 428 H CYS 56 H CYS 56 9.737 -2.313 0.444 429 HA CYS 56 HA CYS 56 9.256 0.324 -0.468 430 1HB CYS 56 2HB CYS 56 10.017 1.045 1.690 431 2HB CYS 56 1HB CYS 56 9.068 -0.418 1.912 432 H ARG 57 H ARG 57 11.165 1.888 0.352 433 HA ARG 57 HA ARG 57 13.489 1.228 -1.334 434 1HB ARG 57 2HB ARG 57 12.343 3.289 -1.996 435 2HB ARG 57 1HB ARG 57 12.490 3.919 -0.363 436 1HG ARG 57 2HG ARG 57 14.272 4.981 -1.204 437 2HG ARG 57 1HG ARG 57 15.085 3.439 -0.931 438 1HD ARG 57 2HD ARG 57 15.044 2.872 -3.166 439 2HD ARG 57 1HD ARG 57 13.656 3.903 -3.508 440 HE ARG 57 HE ARG 57 15.717 5.595 -2.777 441 1HH1 ARG 57 2HH1 ARG 57 15.175 3.227 -5.308 442 2HH1 ARG 57 1HH1 ARG 57 16.114 4.103 -6.481 443 1HH2 ARG 57 2HH2 ARG 57 16.964 6.707 -4.292 444 2HH2 ARG 57 1HH2 ARG 57 17.149 6.074 -5.904 445 H ARG 58 H ARG 58 12.398 1.470 1.822 446 HA ARG 58 HA ARG 58 14.788 2.476 3.019 447 1HB ARG 58 2HB ARG 58 12.452 1.069 4.314 448 2HB ARG 58 1HB ARG 58 13.720 1.947 5.160 449 1HG ARG 58 2HG ARG 58 12.018 3.484 5.117 450 2HG ARG 58 1HG ARG 58 12.955 3.940 3.692 451 1HD ARG 58 2HD ARG 58 11.415 3.085 2.226 452 2HD ARG 58 1HD ARG 58 10.740 1.968 3.413 453 HE ARG 58 HE ARG 58 9.891 4.645 2.898 454 1HH1 ARG 58 2HH1 ARG 58 10.086 2.185 5.397 455 2HH1 ARG 58 1HH1 ARG 58 8.895 2.949 6.402 456 1HH2 ARG 58 2HH2 ARG 58 8.334 5.645 4.221 457 2HH2 ARG 58 1HH2 ARG 58 7.922 4.909 5.753 458 H ASP 59 H ASP 59 13.155 -0.670 3.093 459 HA ASP 59 HA ASP 59 15.398 -1.932 4.360 460 1HB ASP 59 2HB ASP 59 12.855 -3.021 3.144 461 2HB ASP 59 1HB ASP 59 14.052 -4.020 3.963 462 H TYR 60 H TYR 60 14.521 -1.109 1.227 463 HA TYR 60 HA TYR 60 16.116 -3.082 -0.142 464 1HB TYR 60 2HB TYR 60 14.525 -2.351 -1.601 465 2HB TYR 60 1HB TYR 60 14.418 -0.765 -0.858 466 HD1 TYR 60 1HD TYR 60 15.961 1.026 -1.540 467 HD2 TYR 60 2HD TYR 60 15.957 -2.763 -3.469 468 HE1 TYR 60 1HE TYR 60 17.186 2.000 -3.444 469 HE2 TYR 60 2HE TYR 60 17.179 -1.806 -5.374 470 HH TYR 60 HH TYR 60 17.326 0.760 -6.350 471 H LEU 61 H LEU 61 16.447 0.216 1.084 472 HA LEU 61 HA LEU 61 19.091 0.555 -0.013 473 1HB LEU 61 2HB LEU 61 17.156 2.257 1.008 474 2HB LEU 61 1HB LEU 61 18.432 2.300 2.209 475 HG LEU 61 HG LEU 61 19.864 2.592 -0.096 476 1HD1 LEU 61 1HD1 LEU 61 18.774 3.742 -1.707 477 2HD1 LEU 61 2HD1 LEU 61 17.402 2.821 -1.089 478 3HD1 LEU 61 3HD1 LEU 61 17.650 4.490 -0.573 479 1HD2 LEU 61 1HD2 LEU 61 20.027 4.949 0.531 480 2HD2 LEU 61 2HD2 LEU 61 18.620 4.768 1.579 481 3HD2 LEU 61 3HD2 LEU 61 20.109 3.899 1.946 482 H ARG 62 H ARG 62 17.852 -1.153 2.588 483 HA ARG 62 HA ARG 62 19.869 -0.758 4.527 484 1HB ARG 62 2HB ARG 62 17.660 -2.604 4.111 485 2HB ARG 62 1HB ARG 62 19.057 -3.387 4.838 486 1HG ARG 62 2HG ARG 62 18.196 -2.656 6.767 487 2HG ARG 62 1HG ARG 62 18.886 -1.096 6.306 488 1HD ARG 62 2HD ARG 62 16.581 -1.015 4.949 489 2HD ARG 62 1HD ARG 62 16.082 -2.011 6.315 490 HE ARG 62 HE ARG 62 17.371 0.598 6.740 491 1HH1 ARG 62 2HH1 ARG 62 14.619 -1.545 7.138 492 2HH1 ARG 62 1HH1 ARG 62 13.798 -0.483 8.246 493 1HH2 ARG 62 2HH2 ARG 62 16.267 1.991 8.174 494 2HH2 ARG 62 1HH2 ARG 62 14.746 1.508 8.860 495 H LEU 63 H LEU 63 19.672 -2.651 1.637 496 HA LEU 63 HA LEU 63 22.389 -3.672 2.125 497 1HB LEU 63 2HB LEU 63 21.442 -5.473 0.362 498 2HB LEU 63 1HB LEU 63 21.388 -5.692 2.100 499 HG LEU 63 HG LEU 63 19.048 -4.275 1.079 500 1HD1 LEU 63 1HD1 LEU 63 18.980 -7.140 0.365 501 2HD1 LEU 63 2HD1 LEU 63 18.173 -5.762 -0.384 502 3HD1 LEU 63 3HD1 LEU 63 19.876 -6.078 -0.721 503 1HD2 LEU 63 1HD2 LEU 63 18.819 -5.043 3.235 504 2HD2 LEU 63 2HD2 LEU 63 18.027 -6.333 2.329 505 3HD2 LEU 63 3HD2 LEU 63 19.680 -6.548 2.906 506 H GLY 64 H GLY 64 20.038 -2.493 -0.214 507 1HA GLY 64 1HA GLY 64 21.960 -2.503 -2.372 508 2HA GLY 64 2HA GLY 64 20.309 -1.901 -2.441 509 H GLY 65 H GLY 65 21.407 -0.471 0.216 510 1HA GLY 65 1HA GLY 65 22.594 1.783 -1.265 511 2HA GLY 65 2HA GLY 65 21.444 2.014 0.044 512 H SER 66 H SER 66 22.201 2.250 2.031 513 HA SER 66 HA SER 66 24.784 1.115 2.737 514 1HB SER 66 2HB SER 66 24.515 3.792 3.861 515 2HB SER 66 1HB SER 66 25.894 3.052 3.051 516 HG SER 66 HG SER 66 24.252 3.451 1.128 517 H GLY 67 H GLY 67 22.561 3.439 4.256 518 1HA GLY 67 1HA GLY 67 22.120 1.427 6.378 519 2HA GLY 67 2HA GLY 67 22.294 3.143 6.724 520 H GLY 68 H GLY 68 20.689 4.581 5.611 521 1HA GLY 68 1HA GLY 68 18.506 5.213 5.268 522 2HA GLY 68 2HA GLY 68 18.248 3.605 4.604 523 H HIS 69 H HIS 69 19.300 4.318 7.878 524 HA HIS 69 HA HIS 69 16.937 2.891 8.858 525 1HB HIS 69 2HB HIS 69 19.733 3.085 9.667 526 2HB HIS 69 1HB HIS 69 18.621 3.298 11.015 527 HD2 HIS 69 2HD HIS 69 20.052 0.554 8.777 528 HE1 HIS 69 1HE HIS 69 17.057 -1.188 11.204 529 HE2 HIS 69 2HE HIS 69 19.071 -1.650 9.739 530 H MET 70 H MET 70 18.734 5.885 9.228 531 HA MET 70 HA MET 70 17.116 6.925 11.329 532 1HB MET 70 2HB MET 70 18.975 8.302 9.383 533 2HB MET 70 1HB MET 70 18.215 9.100 10.753 534 1HG MET 70 2HG MET 70 19.517 6.731 11.659 535 2HG MET 70 1HG MET 70 20.639 7.674 10.682 536 1HE MET 70 1HE MET 70 18.292 7.370 13.440 537 2HE MET 70 2HE MET 70 19.571 7.561 14.639 538 3HE MET 70 3HE MET 70 18.381 8.843 14.408 539 H GLY 71 H GLY 71 16.828 6.839 7.890 540 1HA GLY 71 1HA GLY 71 14.743 8.889 7.889 541 2HA GLY 71 2HA GLY 71 15.466 8.147 6.469 542 H SER 72 H SER 72 12.906 8.063 8.719 543 HA SER 72 HA SER 72 11.500 6.145 7.094 544 1HB SER 72 2HB SER 72 12.181 5.521 9.979 545 2HB SER 72 1HB SER 72 10.908 4.697 9.079 546 HG SER 72 HG SER 72 13.298 4.781 7.736 547 H GLY 73 H GLY 73 10.735 8.522 7.038 548 1HA GLY 73 1HA GLY 73 8.847 9.823 7.315 549 2HA GLY 73 2HA GLY 73 8.207 8.575 8.374 550 H GLY 74 H GLY 74 7.620 11.050 9.073 551 1HA GLY 74 1HA GLY 74 7.627 12.410 10.922 552 2HA GLY 74 2HA GLY 74 8.738 11.272 11.669 553 H ASP 75 H ASP 75 10.519 12.241 12.327 554 HA ASP 75 HA ASP 75 11.730 14.266 10.565 555 1HB ASP 75 2HB ASP 75 10.882 15.410 12.532 556 2HB ASP 75 1HB ASP 75 11.682 14.253 13.590 557 H VAL 76 H VAL 76 13.927 14.145 10.283 558 HA VAL 76 HA VAL 76 15.180 11.687 11.307 559 HB VAL 76 HB VAL 76 14.892 11.822 8.834 560 1HG1 VAL 76 1HG1 VAL 76 15.095 14.115 8.352 561 2HG1 VAL 76 2HG1 VAL 76 16.661 14.228 9.157 562 3HG1 VAL 76 3HG1 VAL 76 16.515 13.355 7.631 563 1HG2 VAL 76 1HG2 VAL 76 16.926 10.840 8.350 564 2HG2 VAL 76 2HG2 VAL 76 17.826 11.942 9.392 565 3HG2 VAL 76 3HG2 VAL 76 16.838 10.666 10.104 566 H MET 77 H MET 77 17.288 11.766 12.102 567 HA MET 77 HA MET 77 18.070 14.137 13.415 568 1HB MET 77 2HB MET 77 19.590 11.593 12.858 569 2HB MET 77 1HB MET 77 20.169 12.884 13.907 570 1HG MET 77 2HG MET 77 17.929 12.569 15.129 571 2HG MET 77 1HG MET 77 17.873 11.029 14.294 572 1HE MET 77 1HE MET 77 21.964 11.245 16.018 573 2HE MET 77 2HE MET 77 21.410 10.449 14.545 574 3HE MET 77 3HE MET 77 21.274 12.200 14.705 575 H VAL 78 H VAL 78 18.652 15.865 12.286 576 HA VAL 78 HA VAL 78 19.606 15.834 9.676 577 HB VAL 78 HB VAL 78 20.487 18.270 10.594 578 1HG1 VAL 78 1HG1 VAL 78 18.244 17.177 9.134 579 2HG1 VAL 78 2HG1 VAL 78 17.810 18.656 9.994 580 3HG1 VAL 78 3HG1 VAL 78 19.158 18.661 8.858 581 1HG2 VAL 78 1HG2 VAL 78 19.528 17.569 12.858 582 2HG2 VAL 78 2HG2 VAL 78 19.022 19.130 12.215 583 3HG2 VAL 78 3HG2 VAL 78 17.942 17.740 12.103 584 H VAL 79 H VAL 79 21.414 14.841 9.132 585 HA VAL 79 HA VAL 79 23.843 15.166 10.708 586 HB VAL 79 HB VAL 79 23.170 12.924 9.851 587 1HG1 VAL 79 1HG1 VAL 79 23.020 14.345 7.351 588 2HG1 VAL 79 2HG1 VAL 79 24.080 12.941 7.220 589 3HG1 VAL 79 3HG1 VAL 79 22.418 12.742 7.776 590 1HG2 VAL 79 1HG2 VAL 79 25.520 13.465 10.400 591 2HG2 VAL 79 2HG2 VAL 79 25.357 12.210 9.171 592 3HG2 VAL 79 3HG2 VAL 79 25.794 13.852 8.700 593 H GLY 80 H GLY 80 22.850 17.493 9.515 594 1HA GLY 80 1HA GLY 80 23.959 19.323 8.550 595 2HA GLY 80 2HA GLY 80 25.083 18.208 7.781 596 H GLU 81 H GLU 81 23.794 16.600 6.299 597 HA GLU 81 HA GLU 81 21.581 17.787 4.885 598 1HB GLU 81 2HB GLU 81 23.021 17.399 2.675 599 2HB GLU 81 1HB GLU 81 23.009 18.943 3.515 600 1HG GLU 81 2HG GLU 81 25.036 17.769 4.802 601 2HG GLU 81 1HG GLU 81 25.156 16.933 3.254 602 HA PRO 82 HA PRO 82 21.736 13.213 5.010 603 1HB PRO 82 2HB PRO 82 18.938 13.265 5.713 604 2HB PRO 82 1HB PRO 82 20.308 12.729 6.682 605 1HG PRO 82 2HG PRO 82 18.826 14.968 7.234 606 2HG PRO 82 1HG PRO 82 20.512 14.747 7.734 607 1HD PRO 82 2HD PRO 82 19.403 16.314 5.441 608 2HD PRO 82 1HD PRO 82 20.762 16.700 6.520 609 H THR 83 H THR 83 21.006 11.705 3.589 610 HA THR 83 HA THR 83 19.575 12.637 1.239 611 HB THR 83 HB THR 83 19.963 9.891 0.986 612 HG1 THR 83 1HG THR 83 21.762 9.374 2.023 613 1HG2 THR 83 1HG2 THR 83 21.760 10.530 -0.567 614 2HG2 THR 83 2HG2 THR 83 21.766 12.156 0.117 615 3HG2 THR 83 3HG2 THR 83 20.347 11.569 -0.750 616 H LEU 84 H LEU 84 18.880 11.379 4.215 617 HA LEU 84 HA LEU 84 16.345 10.199 3.313 618 1HB LEU 84 2HB LEU 84 16.859 9.392 5.959 619 2HB LEU 84 1HB LEU 84 16.881 8.400 4.516 620 HG LEU 84 HG LEU 84 19.368 9.868 4.853 621 1HD1 LEU 84 1HD1 LEU 84 20.188 8.842 6.817 622 2HD1 LEU 84 2HD1 LEU 84 18.641 9.571 7.246 623 3HD1 LEU 84 3HD1 LEU 84 18.752 7.831 6.976 624 1HD2 LEU 84 1HD2 LEU 84 18.888 7.906 3.360 625 2HD2 LEU 84 2HD2 LEU 84 20.334 7.755 4.361 626 3HD2 LEU 84 3HD2 LEU 84 18.857 6.902 4.810 627 H MET 85 H MET 85 14.964 11.916 3.501 628 HA MET 85 HA MET 85 14.970 13.465 5.992 629 1HB MET 85 2HB MET 85 14.647 14.453 3.584 630 2HB MET 85 1HB MET 85 12.997 13.873 3.766 631 1HG MET 85 2HG MET 85 12.901 15.190 5.915 632 2HG MET 85 1HG MET 85 14.431 15.919 5.431 633 1HE MET 85 1HE MET 85 12.459 17.720 6.197 634 2HE MET 85 2HE MET 85 11.574 18.608 4.955 635 3HE MET 85 3HE MET 85 10.895 17.127 5.633 636 H GLY 86 H GLY 86 13.033 11.323 4.035 637 1HA GLY 86 1HA GLY 86 11.569 10.535 6.464 638 2HA GLY 86 2HA GLY 86 10.731 10.676 4.918 639 H GLY 87 H GLY 87 10.235 8.361 5.191 640 1HA GLY 87 1HA GLY 87 12.380 6.446 5.105 641 2HA GLY 87 2HA GLY 87 10.677 6.124 4.797 642 H GLU 88 H GLU 88 10.251 7.968 2.747 643 HA GLU 88 HA GLU 88 11.357 6.513 0.556 644 1HB GLU 88 2HB GLU 88 9.544 8.922 0.577 645 2HB GLU 88 1HB GLU 88 9.835 7.847 -0.787 646 1HG GLU 88 2HG GLU 88 7.883 7.020 0.006 647 2HG GLU 88 1HG GLU 88 9.016 6.007 0.866 648 H PHE 89 H PHE 89 13.504 7.516 1.639 649 HA PHE 89 HA PHE 89 14.716 9.809 1.446 650 1HB PHE 89 2HB PHE 89 16.033 7.753 -0.264 651 2HB PHE 89 1HB PHE 89 16.724 8.770 0.992 652 HD1 PHE 89 1HD PHE 89 15.697 8.266 3.415 653 HD2 PHE 89 2HD PHE 89 15.854 5.526 0.168 654 HE1 PHE 89 1HE PHE 89 15.551 6.389 4.996 655 HE2 PHE 89 2HE PHE 89 15.713 3.645 1.744 656 HZ PHE 89 HZ PHE 89 15.561 4.076 4.158 657 H GLY 90 H GLY 90 14.892 7.984 -1.523 658 1HA GLY 90 1HA GLY 90 14.464 10.459 -3.057 659 2HA GLY 90 2HA GLY 90 15.569 9.184 -3.570 660 H ASP 91 H ASP 91 12.241 10.072 -3.111 661 HA ASP 91 HA ASP 91 11.107 7.626 -3.944 662 1HB ASP 91 2HB ASP 91 9.042 9.201 -4.306 663 2HB ASP 91 1HB ASP 91 9.638 8.900 -2.679 664 H GLU 92 H GLU 92 9.945 10.369 -5.632 665 HA GLU 92 HA GLU 92 9.814 11.025 -7.784 666 1HB GLU 92 2HB GLU 92 12.480 9.645 -7.816 667 2HB GLU 92 1HB GLU 92 11.821 10.401 -9.261 668 1HG GLU 92 2HG GLU 92 12.352 12.439 -8.560 669 2HG GLU 92 1HG GLU 92 11.689 12.147 -6.953 670 H ASP 93 H ASP 93 10.675 7.622 -7.542 671 HA ASP 93 HA ASP 93 9.248 7.092 -10.055 672 1HB ASP 93 2HB ASP 93 11.739 6.292 -9.175 673 2HB ASP 93 1HB ASP 93 10.746 4.869 -8.884 674 H GLU 94 H GLU 94 7.759 7.523 -7.656 675 HA GLU 94 HA GLU 94 6.811 4.809 -7.038 676 1HB GLU 94 2HB GLU 94 5.584 6.548 -5.246 677 2HB GLU 94 1HB GLU 94 6.945 5.485 -4.916 678 1HG GLU 94 2HG GLU 94 7.772 7.487 -4.201 679 2HG GLU 94 1HG GLU 94 8.348 7.468 -5.867 680 H ARG 95 H ARG 95 4.748 4.227 -7.373 681 HA ARG 95 HA ARG 95 3.025 6.111 -8.815 682 1HB ARG 95 2HB ARG 95 3.618 3.569 -9.447 683 2HB ARG 95 1HB ARG 95 2.223 3.277 -8.419 684 1HG ARG 95 2HG ARG 95 0.792 4.491 -9.837 685 2HG ARG 95 1HG ARG 95 2.148 5.206 -10.715 686 1HD ARG 95 2HD ARG 95 2.523 2.462 -10.953 687 2HD ARG 95 1HD ARG 95 0.785 2.692 -11.147 688 HE ARG 95 HE ARG 95 1.256 4.198 -12.974 689 1HH1 ARG 95 2HH1 ARG 95 3.944 2.258 -11.843 690 2HH1 ARG 95 1HH1 ARG 95 4.830 2.388 -13.333 691 1HH2 ARG 95 2HH2 ARG 95 2.394 4.352 -14.930 692 2HH2 ARG 95 1HH2 ARG 95 3.927 3.556 -15.113 693 H LEU 96 H LEU 96 3.631 5.172 -5.759 694 HA LEU 96 HA LEU 96 2.572 5.238 -3.765 695 1HB LEU 96 2HB LEU 96 0.296 6.693 -5.082 696 2HB LEU 96 1HB LEU 96 0.868 6.828 -3.432 697 HG LEU 96 HG LEU 96 2.468 7.751 -5.814 698 1HD1 LEU 96 1HD1 LEU 96 1.036 9.441 -5.997 699 2HD1 LEU 96 2HD1 LEU 96 0.168 8.955 -4.540 700 3HD1 LEU 96 3HD1 LEU 96 1.598 9.979 -4.414 701 1HD2 LEU 96 1HD2 LEU 96 4.009 8.519 -4.355 702 2HD2 LEU 96 2HD2 LEU 96 2.816 8.882 -3.110 703 3HD2 LEU 96 3HD2 LEU 96 3.366 7.224 -3.345 704 H ILE 97 H ILE 97 -0.205 5.241 -3.195 705 HA ILE 97 HA ILE 97 -1.542 3.169 -4.596 706 HB ILE 97 HB ILE 97 -1.780 1.987 -2.146 707 1HG1 ILE 97 2HG1 ILE 97 1.016 1.620 -2.146 708 2HG1 ILE 97 1HG1 ILE 97 0.735 3.358 -2.172 709 1HG2 ILE 97 1HG2 ILE 97 -1.653 0.865 -4.309 710 2HG2 ILE 97 2HG2 ILE 97 0.083 1.165 -4.367 711 3HG2 ILE 97 3HG2 ILE 97 -0.587 0.105 -3.128 712 1HD1 ILE 97 1HD1 ILE 97 0.417 1.462 -0.022 713 2HD1 ILE 97 2HD1 ILE 97 0.484 3.223 0.028 714 3HD1 ILE 97 3HD1 ILE 97 -1.048 2.408 -0.283 715 H THR 98 H THR 98 -3.642 3.606 -4.439 716 HA THR 98 HA THR 98 -4.440 5.669 -2.599 717 HB THR 98 HB THR 98 -6.667 4.938 -4.094 718 HG1 THR 98 1HG THR 98 -5.974 4.331 -6.049 719 1HG2 THR 98 1HG2 THR 98 -4.512 6.991 -4.511 720 2HG2 THR 98 2HG2 THR 98 -6.057 7.201 -3.686 721 3HG2 THR 98 3HG2 THR 98 -6.013 6.970 -5.436 722 H ARG 99 H ARG 99 -5.418 5.320 -0.743 723 HA ARG 99 HA ARG 99 -6.417 2.731 0.037 724 1HB ARG 99 2HB ARG 99 -6.000 5.356 1.282 725 2HB ARG 99 1HB ARG 99 -7.469 4.560 1.821 726 1HG ARG 99 2HG ARG 99 -4.629 3.745 2.187 727 2HG ARG 99 1HG ARG 99 -5.933 3.844 3.369 728 1HD ARG 99 2HD ARG 99 -6.781 1.940 1.520 729 2HD ARG 99 1HD ARG 99 -5.067 1.609 1.753 730 HE ARG 99 HE ARG 99 -7.161 1.058 3.579 731 1HH1 ARG 99 2HH1 ARG 99 -3.808 2.125 3.503 732 2HH1 ARG 99 1HH1 ARG 99 -3.468 1.502 5.095 733 1HH2 ARG 99 2HH2 ARG 99 -6.696 0.229 5.620 734 2HH2 ARG 99 1HH2 ARG 99 -5.095 0.428 6.285 735 H LEU 100 H LEU 100 -8.020 2.199 -1.410 736 HA LEU 100 HA LEU 100 -10.097 4.182 -1.876 737 1HB LEU 100 2HB LEU 100 -8.749 2.589 -3.597 738 2HB LEU 100 1HB LEU 100 -10.210 1.645 -3.352 739 HG LEU 100 HG LEU 100 -11.126 4.241 -3.790 740 1HD1 LEU 100 1HD1 LEU 100 -9.945 4.460 -6.156 741 2HD1 LEU 100 2HD1 LEU 100 -9.304 5.237 -4.707 742 3HD1 LEU 100 3HD1 LEU 100 -8.613 3.716 -5.269 743 1HD2 LEU 100 1HD2 LEU 100 -12.334 2.438 -4.646 744 2HD2 LEU 100 2HD2 LEU 100 -11.704 3.248 -6.080 745 3HD2 LEU 100 3HD2 LEU 100 -10.932 1.777 -5.487 746 H GLU 101 H GLU 101 -12.236 3.298 -2.353 747 HA GLU 101 HA GLU 101 -13.139 1.656 -0.103 748 1HB GLU 101 2HB GLU 101 -15.162 2.998 -1.735 749 2HB GLU 101 1HB GLU 101 -14.913 3.044 0.006 750 1HG GLU 101 2HG GLU 101 -14.445 5.205 -0.420 751 2HG GLU 101 1HG GLU 101 -12.846 4.557 -0.756 752 H ASN 102 H ASN 102 -14.256 -0.228 -0.452 753 HA ASN 102 HA ASN 102 -14.230 -1.207 -3.195 754 1HB ASN 102 2HB ASN 102 -13.387 -2.491 -1.092 755 2HB ASN 102 1HB ASN 102 -15.094 -2.858 -0.845 756 1HD2 ASN 102 1HD2 ASN 102 -14.170 -5.059 -1.104 757 2HD2 ASN 102 2HD2 ASN 102 -14.073 -5.714 -2.713 758 H THR 103 H THR 103 -16.012 -2.336 -4.086 759 HA THR 103 HA THR 103 -18.283 -0.944 -4.430 760 HB THR 103 HB THR 103 -18.198 -3.955 -4.449 761 HG1 THR 103 1HG THR 103 -17.215 -2.040 -6.330 762 1HG2 THR 103 1HG2 THR 103 -19.711 -3.582 -6.448 763 2HG2 THR 103 2HG2 THR 103 -19.855 -1.909 -5.906 764 3HG2 THR 103 3HG2 THR 103 -20.397 -3.226 -4.863 765 H GLN 104 H GLN 104 -18.127 -3.779 -2.301 766 HA GLN 104 HA GLN 104 -20.754 -3.649 -1.443 767 1HB GLN 104 2HB GLN 104 -19.680 -5.009 0.596 768 2HB GLN 104 1HB GLN 104 -19.940 -5.710 -0.995 769 1HG GLN 104 2HG GLN 104 -17.379 -4.339 -0.681 770 2HG GLN 104 1HG GLN 104 -17.593 -5.748 0.360 771 1HE2 GLN 104 1HE2 GLN 104 -17.975 -7.770 -0.598 772 2HE2 GLN 104 2HE2 GLN 104 -17.499 -8.084 -2.242 773 H PHE 105 H PHE 105 -18.419 -1.407 -0.581 774 HA PHE 105 HA PHE 105 -19.946 -0.763 1.837 775 1HB PHE 105 2HB PHE 105 -17.424 -1.619 2.013 776 2HB PHE 105 1HB PHE 105 -17.090 0.071 1.653 777 HD1 PHE 105 1HD PHE 105 -20.012 -1.053 3.581 778 HD2 PHE 105 2HD PHE 105 -16.092 0.591 3.749 779 HE1 PHE 105 1HE PHE 105 -20.358 -0.479 5.946 780 HE2 PHE 105 2HE PHE 105 -16.432 1.172 6.112 781 HZ PHE 105 HZ PHE 105 -18.568 0.639 7.215 782 H ASP 106 H ASP 106 -17.875 1.532 1.819 783 HA ASP 106 HA ASP 106 -18.246 3.178 -0.387 784 1HB ASP 106 2HB ASP 106 -20.627 3.129 0.549 785 2HB ASP 106 1HB ASP 106 -19.999 4.048 1.905 786 H ALA 107 H ALA 107 -18.724 4.044 2.987 787 HA ALA 107 HA ALA 107 -17.546 5.359 4.426 788 1HB ALA 107 1HB ALA 107 -16.117 3.699 4.992 789 2HB ALA 107 2HB ALA 107 -15.610 3.415 3.326 790 3HB ALA 107 3HB ALA 107 -14.942 4.772 4.232 791 H ALA 108 H ALA 108 -18.070 6.579 1.840 792 HA ALA 108 HA ALA 108 -15.871 8.526 1.869 793 1HB ALA 108 1HB ALA 108 -15.704 8.606 -0.469 794 2HB ALA 108 2HB ALA 108 -15.739 6.889 -0.071 795 3HB ALA 108 3HB ALA 108 -17.188 7.680 -0.692 796 H ASN 109 H ASN 109 -19.084 8.005 0.366 797 HA ASN 109 HA ASN 109 -19.848 10.672 1.353 798 1HB ASN 109 2HB ASN 109 -19.052 10.534 -1.141 799 2HB ASN 109 1HB ASN 109 -20.650 9.861 -1.412 800 1HD2 ASN 109 1HD2 ASN 109 -18.833 12.635 -0.552 801 2HD2 ASN 109 2HD2 ASN 109 -20.124 13.798 -0.662 802 H GLY 110 H GLY 110 -20.654 7.421 0.767 803 1HA GLY 110 1HA GLY 110 -23.518 7.818 0.786 804 2HA GLY 110 2HA GLY 110 -22.671 6.277 0.811 805 H ILE 111 H ILE 111 -24.424 5.802 2.366 806 HA ILE 111 HA ILE 111 -24.052 6.951 5.033 807 HB ILE 111 HB ILE 111 -26.053 4.810 4.351 808 1HG1 ILE 111 2HG1 ILE 111 -27.381 7.287 4.259 809 2HG1 ILE 111 1HG1 ILE 111 -25.947 7.486 3.255 810 1HG2 ILE 111 1HG2 ILE 111 -26.921 5.236 6.362 811 2HG2 ILE 111 2HG2 ILE 111 -25.404 6.072 6.696 812 3HG2 ILE 111 3HG2 ILE 111 -26.810 6.982 6.141 813 1HD1 ILE 111 1HD1 ILE 111 -26.677 5.252 2.190 814 2HD1 ILE 111 2HD1 ILE 111 -28.243 5.615 2.916 815 3HD1 ILE 111 3HD1 ILE 111 -27.527 6.737 1.758 816 H ASP 112 H ASP 112 -23.046 4.341 3.160 817 HA ASP 112 HA ASP 112 -22.654 2.451 5.307 818 1HB ASP 112 2HB ASP 112 -22.384 2.460 2.417 819 2HB ASP 112 1HB ASP 112 -20.981 1.726 3.185 820 H ASP 113 H ASP 113 -21.606 4.297 6.529 821 HA ASP 113 HA ASP 113 -18.759 4.582 5.852 822 1HB ASP 113 2HB ASP 113 -20.238 6.641 6.065 823 2HB ASP 113 1HB ASP 113 -20.355 6.277 7.783 824 H GLU 114 H GLU 114 -17.175 4.149 7.387 825 HA GLU 114 HA GLU 114 -18.098 2.543 9.661 826 1HB GLU 114 2HB GLU 114 -16.146 2.095 7.692 827 2HB GLU 114 1HB GLU 114 -15.261 2.408 9.177 828 1HG GLU 114 2HG GLU 114 -16.989 0.702 10.179 829 2HG GLU 114 1HG GLU 114 -17.105 0.181 8.499 Start of MODEL 16 1 1H GLY 1 1H GLY 1 -20.996 -10.184 -11.756 2 2H GLY 1 2H GLY 1 -20.349 -11.417 -10.789 3 3H GLY 1 3H GLY 1 -19.786 -11.201 -12.370 4 1HA GLY 1 2HA GLY 1 -18.924 -9.009 -11.764 5 2HA GLY 1 1HA GLY 1 -19.443 -9.312 -10.113 6 H SER 2 H SER 2 -16.905 -9.498 -12.245 7 HA SER 2 HA SER 2 -15.564 -11.806 -11.238 8 1HB SER 2 2HB SER 2 -13.774 -9.807 -12.309 9 2HB SER 2 1HB SER 2 -14.200 -11.389 -12.968 10 HG SER 2 HG SER 2 -15.018 -8.934 -13.753 11 H LEU 3 H LEU 3 -14.632 -12.000 -9.331 12 HA LEU 3 HA LEU 3 -14.410 -9.792 -7.536 13 1HB LEU 3 2HB LEU 3 -13.125 -12.480 -7.150 14 2HB LEU 3 1HB LEU 3 -13.668 -11.356 -5.922 15 HG LEU 3 HG LEU 3 -15.693 -12.530 -7.769 16 1HD1 LEU 3 1HD1 LEU 3 -14.703 -14.541 -7.219 17 2HD1 LEU 3 2HD1 LEU 3 -14.197 -13.978 -5.627 18 3HD1 LEU 3 3HD1 LEU 3 -15.894 -14.348 -5.932 19 1HD2 LEU 3 1HD2 LEU 3 -17.107 -12.326 -5.808 20 2HD2 LEU 3 2HD2 LEU 3 -15.722 -11.816 -4.841 21 3HD2 LEU 3 3HD2 LEU 3 -16.307 -10.791 -6.151 22 H LEU 4 H LEU 4 -12.302 -9.498 -6.260 23 HA LEU 4 HA LEU 4 -10.062 -9.420 -8.172 24 1HB LEU 4 2HB LEU 4 -10.300 -7.672 -5.732 25 2HB LEU 4 1HB LEU 4 -9.223 -7.480 -7.106 26 HG LEU 4 HG LEU 4 -11.994 -7.370 -7.942 27 1HD1 LEU 4 1HD1 LEU 4 -12.800 -6.375 -6.079 28 2HD1 LEU 4 2HD1 LEU 4 -11.206 -5.849 -5.537 29 3HD1 LEU 4 3HD1 LEU 4 -12.051 -4.947 -6.795 30 1HD2 LEU 4 1HD2 LEU 4 -10.528 -4.913 -8.187 31 2HD2 LEU 4 2HD2 LEU 4 -9.496 -6.280 -8.610 32 3HD2 LEU 4 3HD2 LEU 4 -11.033 -6.042 -9.444 33 H THR 5 H THR 5 -7.922 -9.648 -7.167 34 HA THR 5 HA THR 5 -7.871 -11.110 -4.626 35 HB THR 5 HB THR 5 -6.027 -12.504 -6.110 36 HG1 THR 5 1HG THR 5 -8.305 -12.563 -7.768 37 1HG2 THR 5 1HG2 THR 5 -8.560 -13.836 -6.290 38 2HG2 THR 5 2HG2 THR 5 -8.437 -12.996 -4.744 39 3HG2 THR 5 3HG2 THR 5 -7.205 -14.168 -5.210 40 H CYS 6 H CYS 6 -6.121 -10.542 -3.431 41 HA CYS 6 HA CYS 6 -4.527 -8.405 -4.457 42 1HB CYS 6 2HB CYS 6 -4.489 -7.750 -2.332 43 2HB CYS 6 1HB CYS 6 -5.594 -9.072 -2.002 44 H GLY 7 H GLY 7 -2.154 -8.318 -4.012 45 1HA GLY 7 1HA GLY 7 -0.982 -10.778 -5.052 46 2HA GLY 7 2HA GLY 7 -0.216 -9.197 -5.008 47 H GLY 8 H GLY 8 -1.513 -9.589 -2.042 48 1HA GLY 8 1HA GLY 8 1.078 -10.380 -0.928 49 2HA GLY 8 2HA GLY 8 -0.239 -9.608 -0.055 50 H CYS 9 H CYS 9 -2.356 -11.186 -0.497 51 HA CYS 9 HA CYS 9 -1.502 -13.774 0.612 52 1HB CYS 9 2HB CYS 9 -3.576 -13.901 1.798 53 2HB CYS 9 1HB CYS 9 -2.893 -12.310 2.099 54 H GLN 10 H GLN 10 -3.484 -12.160 -1.747 55 HA GLN 10 HA GLN 10 -4.384 -12.818 -3.714 56 1HB GLN 10 2HB GLN 10 -2.242 -14.624 -3.301 57 2HB GLN 10 1HB GLN 10 -3.599 -15.566 -3.899 58 1HG GLN 10 2HG GLN 10 -2.846 -13.031 -5.275 59 2HG GLN 10 1HG GLN 10 -1.904 -14.494 -5.556 60 1HE2 GLN 10 1HE2 GLN 10 -3.517 -16.481 -5.820 61 2HE2 GLN 10 2HE2 GLN 10 -4.744 -16.217 -7.027 62 H GLN 11 H GLN 11 -5.638 -13.515 -0.994 63 HA GLN 11 HA GLN 11 -7.100 -15.900 -1.532 64 1HB GLN 11 2HB GLN 11 -8.298 -15.493 0.509 65 2HB GLN 11 1HB GLN 11 -6.600 -15.148 0.769 66 1HG GLN 11 2HG GLN 11 -7.191 -13.204 1.629 67 2HG GLN 11 1HG GLN 11 -7.743 -12.713 0.030 68 1HE2 GLN 11 1HE2 GLN 11 -9.801 -15.000 0.321 69 2HE2 GLN 11 2HE2 GLN 11 -11.065 -14.258 1.244 70 H ASN 12 H ASN 12 -8.133 -12.474 -1.456 71 HA ASN 12 HA ASN 12 -9.710 -12.281 -3.631 72 1HB ASN 12 2HB ASN 12 -11.031 -14.224 -2.957 73 2HB ASN 12 1HB ASN 12 -11.327 -13.510 -1.375 74 1HD2 ASN 12 1HD2 ASN 12 -13.103 -12.337 -1.108 75 2HD2 ASN 12 2HD2 ASN 12 -14.130 -11.761 -2.390 76 H ILE 13 H ILE 13 -10.237 -10.167 -3.713 77 HA ILE 13 HA ILE 13 -10.499 -8.701 -1.181 78 HB ILE 13 HB ILE 13 -10.368 -7.392 -3.865 79 1HG1 ILE 13 2HG1 ILE 13 -7.878 -7.760 -2.279 80 2HG1 ILE 13 1HG1 ILE 13 -8.440 -9.113 -3.252 81 1HG2 ILE 13 1HG2 ILE 13 -9.671 -5.492 -2.672 82 2HG2 ILE 13 2HG2 ILE 13 -10.974 -6.190 -1.709 83 3HG2 ILE 13 3HG2 ILE 13 -9.294 -6.436 -1.231 84 1HD1 ILE 13 1HD1 ILE 13 -6.763 -7.471 -4.275 85 2HD1 ILE 13 2HD1 ILE 13 -8.158 -7.967 -5.236 86 3HD1 ILE 13 3HD1 ILE 13 -8.151 -6.392 -4.442 87 H GLY 14 H GLY 14 -12.549 -8.902 -0.538 88 1HA GLY 14 1HA GLY 14 -14.671 -8.285 -2.505 89 2HA GLY 14 2HA GLY 14 -14.888 -9.331 -1.103 90 H ASP 15 H ASP 15 -12.957 -6.613 -0.585 91 HA ASP 15 HA ASP 15 -14.880 -5.507 1.255 92 1HB ASP 15 2HB ASP 15 -12.224 -4.292 0.482 93 2HB ASP 15 1HB ASP 15 -13.151 -4.006 1.952 94 H ARG 16 H ARG 16 -15.285 -3.093 1.239 95 HA ARG 16 HA ARG 16 -16.253 -2.407 -1.413 96 1HB ARG 16 2HB ARG 16 -17.057 -0.294 -0.017 97 2HB ARG 16 1HB ARG 16 -17.934 -1.814 -0.011 98 1HG ARG 16 2HG ARG 16 -17.691 -2.003 2.174 99 2HG ARG 16 1HG ARG 16 -15.938 -1.839 2.042 100 1HD ARG 16 2HD ARG 16 -16.257 0.055 3.211 101 2HD ARG 16 1HD ARG 16 -16.734 0.726 1.654 102 HE ARG 16 HE ARG 16 -19.023 0.492 2.291 103 1HH1 ARG 16 2HH1 ARG 16 -16.701 -0.131 4.842 104 2HH1 ARG 16 1HH1 ARG 16 -17.880 -0.006 6.119 105 1HH2 ARG 16 2HH2 ARG 16 -20.566 0.731 3.975 106 2HH2 ARG 16 1HH2 ARG 16 -20.070 0.475 5.620 107 H TYR 17 H TYR 17 -13.764 -1.426 0.815 108 HA TYR 17 HA TYR 17 -12.754 0.361 -1.296 109 1HB TYR 17 2HB TYR 17 -13.450 1.273 1.210 110 2HB TYR 17 1HB TYR 17 -11.736 0.934 1.402 111 HD1 TYR 17 1HD TYR 17 -14.160 2.747 -0.734 112 HD2 TYR 17 2HD TYR 17 -10.133 2.461 0.597 113 HE1 TYR 17 1HE TYR 17 -13.650 4.869 -1.856 114 HE2 TYR 17 2HE TYR 17 -9.613 4.592 -0.519 115 HH TYR 17 HH TYR 17 -11.988 6.210 -2.573 116 H PHE 18 H PHE 18 -10.633 0.012 -1.875 117 HA PHE 18 HA PHE 18 -9.006 -1.742 -0.236 118 1HB PHE 18 2HB PHE 18 -8.749 -3.491 -1.811 119 2HB PHE 18 1HB PHE 18 -10.477 -3.218 -1.661 120 HD1 PHE 18 1HD PHE 18 -8.006 -3.963 -3.898 121 HD2 PHE 18 2HD PHE 18 -11.324 -1.326 -3.473 122 HE1 PHE 18 1HE PHE 18 -8.185 -3.795 -6.344 123 HE2 PHE 18 2HE PHE 18 -11.496 -1.151 -5.915 124 HZ PHE 18 HZ PHE 18 -9.929 -2.386 -7.353 125 H LEU 19 H LEU 19 -6.988 -2.356 -1.893 126 HA LEU 19 HA LEU 19 -6.050 0.262 -2.847 127 1HB LEU 19 2HB LEU 19 -4.799 -1.778 -1.054 128 2HB LEU 19 1HB LEU 19 -3.782 -0.744 -2.033 129 HG LEU 19 HG LEU 19 -5.861 0.401 -0.198 130 1HD1 LEU 19 1HD1 LEU 19 -2.985 -0.056 0.546 131 2HD1 LEU 19 2HD1 LEU 19 -4.298 0.529 1.568 132 3HD1 LEU 19 3HD1 LEU 19 -4.287 -1.148 1.020 133 1HD2 LEU 19 1HD2 LEU 19 -5.002 2.380 -0.770 134 2HD2 LEU 19 2HD2 LEU 19 -3.341 1.795 -0.658 135 3HD2 LEU 19 3HD2 LEU 19 -4.276 1.517 -2.131 136 H LYS 20 H LYS 20 -5.266 0.259 -4.870 137 HA LYS 20 HA LYS 20 -3.729 -1.914 -5.862 138 1HB LYS 20 2HB LYS 20 -5.321 -3.153 -6.805 139 2HB LYS 20 1HB LYS 20 -6.562 -1.975 -6.421 140 1HG LYS 20 2HG LYS 20 -5.041 -1.087 -8.675 141 2HG LYS 20 1HG LYS 20 -5.591 -2.727 -8.940 142 1HD LYS 20 2HD LYS 20 -7.881 -2.049 -8.409 143 2HD LYS 20 1HD LYS 20 -7.327 -0.394 -8.144 144 1HE LYS 20 2HE LYS 20 -7.257 0.052 -10.336 145 2HE LYS 20 1HE LYS 20 -6.517 -1.502 -10.721 146 1HZ LYS 20 1HZ LYS 20 -9.220 -0.695 -10.991 147 2HZ LYS 20 2HZ LYS 20 -9.127 -2.055 -9.980 148 3HZ LYS 20 3HZ LYS 20 -8.468 -2.111 -11.541 149 H ALA 21 H ALA 21 -2.507 -1.272 -7.724 150 HA ALA 21 HA ALA 21 -3.046 0.978 -9.319 151 1HB ALA 21 1HB ALA 21 -2.713 2.123 -7.076 152 2HB ALA 21 2HB ALA 21 -1.010 1.690 -7.226 153 3HB ALA 21 3HB ALA 21 -1.766 2.736 -8.430 154 H ILE 22 H ILE 22 -0.311 -0.485 -7.617 155 HA ILE 22 HA ILE 22 1.771 -0.026 -9.236 156 HB ILE 22 HB ILE 22 1.152 -2.663 -7.886 157 1HG1 ILE 22 2HG1 ILE 22 2.901 -0.472 -6.823 158 2HG1 ILE 22 1HG1 ILE 22 1.162 -0.407 -6.598 159 1HG2 ILE 22 1HG2 ILE 22 3.835 -2.441 -7.767 160 2HG2 ILE 22 2HG2 ILE 22 2.969 -3.351 -9.011 161 3HG2 ILE 22 3HG2 ILE 22 3.520 -1.704 -9.341 162 1HD1 ILE 22 1HD1 ILE 22 1.749 -2.931 -5.766 163 2HD1 ILE 22 2HD1 ILE 22 3.177 -2.025 -5.265 164 3HD1 ILE 22 3HD1 ILE 22 1.575 -1.521 -4.720 165 H ASP 23 H ASP 23 -0.155 -2.945 -9.515 166 HA ASP 23 HA ASP 23 -0.719 -3.075 -12.171 167 1HB ASP 23 2HB ASP 23 1.857 -3.039 -12.427 168 2HB ASP 23 1HB ASP 23 1.821 -4.668 -11.761 169 H GLN 24 H GLN 24 -1.560 -3.703 -9.632 170 HA GLN 24 HA GLN 24 -2.373 -6.455 -9.813 171 1HB GLN 24 2HB GLN 24 -0.187 -5.559 -8.015 172 2HB GLN 24 1HB GLN 24 -1.451 -6.507 -7.250 173 1HG GLN 24 2HG GLN 24 -0.596 -8.377 -8.034 174 2HG GLN 24 1HG GLN 24 -0.638 -7.761 -9.685 175 1HE2 GLN 24 1HE2 GLN 24 1.151 -5.919 -9.926 176 2HE2 GLN 24 2HE2 GLN 24 2.734 -6.424 -9.435 177 H TYR 25 H TYR 25 -3.842 -6.935 -8.024 178 HA TYR 25 HA TYR 25 -4.988 -4.485 -6.853 179 1HB TYR 25 2HB TYR 25 -6.355 -7.156 -6.703 180 2HB TYR 25 1HB TYR 25 -7.053 -5.542 -6.562 181 HD1 TYR 25 1HD TYR 25 -7.204 -8.279 -8.473 182 HD2 TYR 25 2HD TYR 25 -6.370 -4.126 -8.933 183 HE1 TYR 25 1HE TYR 25 -7.912 -8.408 -10.822 184 HE2 TYR 25 2HE TYR 25 -7.082 -4.247 -11.292 185 HH TYR 25 HH TYR 25 -7.441 -7.108 -12.964 186 H TRP 26 H TRP 26 -5.148 -4.395 -4.618 187 HA TRP 26 HA TRP 26 -3.646 -6.495 -3.214 188 1HB TRP 26 2HB TRP 26 -3.460 -3.511 -2.776 189 2HB TRP 26 1HB TRP 26 -2.605 -4.741 -1.852 190 HD1 TRP 26 HD TRP 26 -2.438 -2.776 -5.064 191 HE1 TRP 26 1HE TRP 26 -0.252 -3.324 -6.276 192 HE3 TRP 26 3HE TRP 26 -0.908 -6.718 -2.203 193 HZ2 TRP 26 2HZ TRP 26 1.849 -5.194 -6.080 194 HZ3 TRP 26 3HZ TRP 26 1.207 -7.839 -2.782 195 HH2 TRP 26 HH TRP 26 2.559 -7.091 -4.676 196 H HIS 27 H HIS 27 -3.739 -5.413 -0.741 197 HA HIS 27 HA HIS 27 -6.597 -5.294 -0.084 198 1HB HIS 27 2HB HIS 27 -4.551 -7.217 0.840 199 2HB HIS 27 1HB HIS 27 -5.536 -6.509 2.115 200 HD2 HIS 27 2HD HIS 27 -8.434 -6.563 0.679 201 HE1 HIS 27 1HE HIS 27 -7.617 -10.689 0.198 202 HE2 HIS 27 2HE HIS 27 -9.446 -8.944 0.434 203 H GLU 28 H GLU 28 -7.037 -4.232 1.933 204 HA GLU 28 HA GLU 28 -5.668 -1.828 2.238 205 1HB GLU 28 2HB GLU 28 -7.821 -3.295 3.630 206 2HB GLU 28 1HB GLU 28 -7.009 -2.055 4.566 207 1HG GLU 28 2HG GLU 28 -7.499 -0.829 2.145 208 2HG GLU 28 1HG GLU 28 -8.940 -1.807 2.430 209 H ASP 29 H ASP 29 -5.447 -4.849 4.050 210 HA ASP 29 HA ASP 29 -3.374 -3.624 5.733 211 1HB ASP 29 2HB ASP 29 -5.015 -4.222 7.223 212 2HB ASP 29 1HB ASP 29 -5.581 -5.553 6.227 213 H CYS 30 H CYS 30 -3.561 -5.639 3.169 214 HA CYS 30 HA CYS 30 -1.751 -7.686 4.058 215 1HB CYS 30 2HB CYS 30 -3.216 -7.055 1.575 216 2HB CYS 30 1HB CYS 30 -1.726 -7.975 1.394 217 H LEU 31 H LEU 31 -1.494 -4.860 1.953 218 HA LEU 31 HA LEU 31 1.024 -5.272 0.948 219 1HB LEU 31 2HB LEU 31 -0.516 -2.782 1.534 220 2HB LEU 31 1HB LEU 31 1.133 -2.672 0.952 221 HG LEU 31 HG LEU 31 -0.560 -4.456 -0.636 222 1HD1 LEU 31 1HD1 LEU 31 -1.278 -1.592 -0.192 223 2HD1 LEU 31 2HD1 LEU 31 -1.546 -2.345 -1.765 224 3HD1 LEU 31 3HD1 LEU 31 -2.327 -3.005 -0.327 225 1HD2 LEU 31 1HD2 LEU 31 1.159 -2.082 -1.362 226 2HD2 LEU 31 2HD2 LEU 31 1.727 -3.750 -1.254 227 3HD2 LEU 31 3HD2 LEU 31 0.527 -3.304 -2.474 228 H SER 32 H SER 32 2.845 -5.663 1.932 229 HA SER 32 HA SER 32 3.800 -3.823 3.971 230 1HB SER 32 2HB SER 32 4.700 -6.242 4.977 231 2HB SER 32 1HB SER 32 3.378 -5.282 5.644 232 HG SER 32 HG SER 32 2.097 -6.524 3.932 233 H CYS 33 H CYS 33 6.124 -5.421 4.572 234 HA CYS 33 HA CYS 33 7.954 -4.710 2.631 235 1HB CYS 33 2HB CYS 33 7.864 -6.368 5.011 236 2HB CYS 33 1HB CYS 33 8.909 -7.085 3.798 237 H ASP 34 H ASP 34 8.467 -5.521 0.647 238 HA ASP 34 HA ASP 34 6.910 -7.643 -0.475 239 1HB ASP 34 2HB ASP 34 7.781 -5.687 -1.785 240 2HB ASP 34 1HB ASP 34 9.394 -6.375 -1.645 241 H LEU 35 H LEU 35 10.388 -7.277 -0.001 242 HA LEU 35 HA LEU 35 10.955 -9.987 -0.595 243 1HB LEU 35 2HB LEU 35 12.622 -8.381 -1.050 244 2HB LEU 35 1HB LEU 35 12.537 -7.703 0.565 245 HG LEU 35 HG LEU 35 13.414 -10.039 1.312 246 1HD1 LEU 35 1HD1 LEU 35 13.870 -10.048 -1.636 247 2HD1 LEU 35 2HD1 LEU 35 15.063 -10.792 -0.571 248 3HD1 LEU 35 3HD1 LEU 35 13.396 -11.367 -0.566 249 1HD2 LEU 35 1HD2 LEU 35 15.491 -8.498 -0.143 250 2HD2 LEU 35 2HD2 LEU 35 14.554 -7.657 1.091 251 3HD2 LEU 35 3HD2 LEU 35 15.479 -9.098 1.514 252 H CYS 36 H CYS 36 10.588 -8.205 2.389 253 HA CYS 36 HA CYS 36 11.428 -10.506 3.931 254 1HB CYS 36 2HB CYS 36 10.875 -7.880 5.186 255 2HB CYS 36 1HB CYS 36 12.230 -8.987 5.423 256 H GLY 37 H GLY 37 8.527 -8.697 3.344 257 1HA GLY 37 1HA GLY 37 6.363 -9.108 3.980 258 2HA GLY 37 2HA GLY 37 6.930 -10.656 4.592 259 H CYS 38 H CYS 38 7.718 -7.339 5.656 260 HA CYS 38 HA CYS 38 6.756 -8.106 8.320 261 1HB CYS 38 2HB CYS 38 8.293 -5.655 8.289 262 2HB CYS 38 1HB CYS 38 8.569 -7.136 9.192 263 HG CYS 38 HG CYS 38 9.814 -6.256 6.145 264 H ARG 39 H ARG 39 7.310 -4.786 7.228 265 HA ARG 39 HA ARG 39 4.496 -4.247 6.865 266 1HB ARG 39 2HB ARG 39 5.240 -4.247 9.448 267 2HB ARG 39 1HB ARG 39 5.688 -2.600 9.030 268 1HG ARG 39 2HG ARG 39 3.504 -2.482 9.882 269 2HG ARG 39 1HG ARG 39 3.347 -2.323 8.131 270 1HD ARG 39 2HD ARG 39 3.108 -4.965 8.315 271 2HD ARG 39 1HD ARG 39 2.528 -4.537 9.923 272 HE ARG 39 HE ARG 39 1.292 -2.998 7.845 273 1HH1 ARG 39 2HH1 ARG 39 1.213 -6.017 9.605 274 2HH1 ARG 39 1HH1 ARG 39 -0.469 -6.318 9.276 275 1HH2 ARG 39 2HH2 ARG 39 -0.937 -3.381 7.407 276 2HH2 ARG 39 1HH2 ARG 39 -1.691 -4.825 8.033 277 H LEU 40 H LEU 40 4.143 -1.830 6.527 278 HA LEU 40 HA LEU 40 6.497 -0.714 5.162 279 1HB LEU 40 2HB LEU 40 3.567 -0.135 4.713 280 2HB LEU 40 1HB LEU 40 4.896 0.584 3.823 281 HG LEU 40 HG LEU 40 4.227 -2.356 3.824 282 1HD1 LEU 40 1HD1 LEU 40 2.516 -1.648 2.548 283 2HD1 LEU 40 2HD1 LEU 40 3.265 -0.085 2.221 284 3HD1 LEU 40 3HD1 LEU 40 3.766 -1.510 1.311 285 1HD2 LEU 40 1HD2 LEU 40 6.306 -2.551 3.051 286 2HD2 LEU 40 2HD2 LEU 40 5.735 -1.730 1.598 287 3HD2 LEU 40 3HD2 LEU 40 6.495 -0.804 2.893 288 H GLY 41 H GLY 41 3.542 0.966 6.085 289 1HA GLY 41 1HA GLY 41 3.672 2.262 8.286 290 2HA GLY 41 2HA GLY 41 5.211 2.838 7.646 291 H GLU 42 H GLU 42 4.314 2.935 4.941 292 HA GLU 42 HA GLU 42 3.540 4.453 3.449 293 1HB GLU 42 2HB GLU 42 1.056 4.217 5.136 294 2HB GLU 42 1HB GLU 42 1.140 4.593 3.422 295 1HG GLU 42 2HG GLU 42 0.824 2.432 3.042 296 2HG GLU 42 1HG GLU 42 2.461 2.172 3.642 297 H VAL 43 H VAL 43 5.064 5.874 5.083 298 HA VAL 43 HA VAL 43 3.552 8.367 5.403 299 HB VAL 43 HB VAL 43 4.956 8.773 7.538 300 1HG1 VAL 43 1HG1 VAL 43 2.778 6.749 7.879 301 2HG1 VAL 43 2HG1 VAL 43 3.145 8.167 8.861 302 3HG1 VAL 43 3HG1 VAL 43 2.433 8.364 7.259 303 1HG2 VAL 43 1HG2 VAL 43 5.761 6.976 8.741 304 2HG2 VAL 43 2HG2 VAL 43 4.789 5.806 7.846 305 3HG2 VAL 43 3HG2 VAL 43 6.199 6.546 7.087 306 H GLY 44 H GLY 44 6.010 7.006 3.825 307 1HA GLY 44 1HA GLY 44 8.098 8.946 4.310 308 2HA GLY 44 2HA GLY 44 8.053 7.767 3.007 309 H ARG 45 H ARG 45 5.223 9.398 3.140 310 HA ARG 45 HA ARG 45 5.397 11.911 2.197 311 1HB ARG 45 2HB ARG 45 6.621 10.451 0.240 312 2HB ARG 45 1HB ARG 45 4.954 10.393 -0.315 313 1HG ARG 45 2HG ARG 45 5.409 13.059 0.375 314 2HG ARG 45 1HG ARG 45 6.862 12.534 -0.479 315 1HD ARG 45 2HD ARG 45 4.015 12.426 -1.453 316 2HD ARG 45 1HD ARG 45 5.334 13.401 -2.098 317 HE ARG 45 HE ARG 45 5.004 10.493 -2.405 318 1HH1 ARG 45 2HH1 ARG 45 6.580 13.500 -3.301 319 2HH1 ARG 45 1HH1 ARG 45 7.476 12.784 -4.613 320 1HH2 ARG 45 2HH2 ARG 45 6.188 9.552 -4.119 321 2HH2 ARG 45 1HH2 ARG 45 7.256 10.536 -5.075 322 H ARG 46 H ARG 46 3.898 9.482 0.250 323 HA ARG 46 HA ARG 46 1.732 9.201 2.129 324 1HB ARG 46 2HB ARG 46 -0.051 9.331 0.548 325 2HB ARG 46 1HB ARG 46 0.899 10.795 0.343 326 1HG ARG 46 2HG ARG 46 1.575 10.229 -1.741 327 2HG ARG 46 1HG ARG 46 1.605 8.502 -1.381 328 1HD ARG 46 2HD ARG 46 -0.194 8.611 -2.796 329 2HD ARG 46 1HD ARG 46 -0.993 8.802 -1.236 330 HE ARG 46 HE ARG 46 -0.587 11.342 -1.868 331 1HH1 ARG 46 2HH1 ARG 46 -1.709 8.702 -3.885 332 2HH1 ARG 46 1HH1 ARG 46 -2.687 9.722 -4.902 333 1HH2 ARG 46 2HH2 ARG 46 -1.856 12.688 -3.208 334 2HH2 ARG 46 1HH2 ARG 46 -2.754 11.997 -4.524 335 H LEU 47 H LEU 47 4.166 8.100 0.452 336 HA LEU 47 HA LEU 47 4.314 5.595 1.132 337 1HB LEU 47 2HB LEU 47 2.099 5.686 -0.635 338 2HB LEU 47 1HB LEU 47 3.391 4.846 -1.471 339 HG LEU 47 HG LEU 47 2.706 4.048 1.328 340 1HD1 LEU 47 1HD1 LEU 47 0.652 3.414 0.792 341 2HD1 LEU 47 2HD1 LEU 47 0.873 3.970 -0.867 342 3HD1 LEU 47 3HD1 LEU 47 1.334 2.328 -0.420 343 1HD2 LEU 47 1HD2 LEU 47 3.287 1.789 0.193 344 2HD2 LEU 47 2HD2 LEU 47 3.996 2.796 -1.082 345 3HD2 LEU 47 3HD2 LEU 47 4.583 2.916 0.585 346 H TYR 48 H TYR 48 5.356 4.157 -0.903 347 HA TYR 48 HA TYR 48 6.902 5.760 -2.742 348 1HB TYR 48 2HB TYR 48 8.010 5.568 -0.275 349 2HB TYR 48 1HB TYR 48 8.594 4.062 -0.969 350 HD1 TYR 48 1HD TYR 48 10.818 4.238 -1.580 351 HD2 TYR 48 2HD TYR 48 8.205 7.535 -2.304 352 HE1 TYR 48 1HE TYR 48 12.663 5.472 -2.630 353 HE2 TYR 48 2HE TYR 48 10.049 8.769 -3.358 354 HH TYR 48 HH TYR 48 12.386 8.833 -3.485 355 H TYR 49 H TYR 49 7.773 4.381 -4.429 356 HA TYR 49 HA TYR 49 8.153 1.604 -4.050 357 1HB TYR 49 2HB TYR 49 6.369 0.544 -4.877 358 2HB TYR 49 1HB TYR 49 5.487 2.025 -4.456 359 HD1 TYR 49 1HD TYR 49 5.846 -0.380 -6.900 360 HD2 TYR 49 2HD TYR 49 5.735 3.859 -6.541 361 HE1 TYR 49 1HE TYR 49 5.130 -0.203 -9.244 362 HE2 TYR 49 2HE TYR 49 5.029 4.044 -8.886 363 HH TYR 49 HH TYR 49 5.429 2.104 -11.086 364 H LYS 50 H LYS 50 9.159 0.633 -5.960 365 HA LYS 50 HA LYS 50 10.727 2.590 -7.305 366 1HB LYS 50 2HB LYS 50 10.696 -0.316 -6.997 367 2HB LYS 50 1HB LYS 50 11.219 0.189 -8.593 368 1HG LYS 50 2HG LYS 50 12.567 1.835 -6.761 369 2HG LYS 50 1HG LYS 50 12.661 0.187 -6.133 370 1HD LYS 50 2HD LYS 50 13.204 0.652 -9.026 371 2HD LYS 50 1HD LYS 50 14.439 1.100 -7.847 372 1HE LYS 50 2HE LYS 50 14.361 -1.186 -6.935 373 2HE LYS 50 1HE LYS 50 13.175 -1.620 -8.165 374 1HZ LYS 50 1HZ LYS 50 14.731 -1.685 -9.779 375 2HZ LYS 50 2HZ LYS 50 15.769 -2.008 -8.474 376 3HZ LYS 50 3HZ LYS 50 15.668 -0.440 -9.108 377 H LEU 51 H LEU 51 11.041 2.623 -9.675 378 HA LEU 51 HA LEU 51 9.185 3.743 -11.084 379 1HB LEU 51 2HB LEU 51 10.193 3.101 -13.136 380 2HB LEU 51 1HB LEU 51 11.449 3.184 -11.920 381 HG LEU 51 HG LEU 51 10.191 0.557 -12.654 382 1HD1 LEU 51 1HD1 LEU 51 12.700 0.915 -13.948 383 2HD1 LEU 51 2HD1 LEU 51 11.130 0.531 -14.653 384 3HD1 LEU 51 3HD1 LEU 51 11.609 2.214 -14.431 385 1HD2 LEU 51 1HD2 LEU 51 12.373 1.481 -10.979 386 2HD2 LEU 51 2HD2 LEU 51 11.537 -0.072 -10.997 387 3HD2 LEU 51 3HD2 LEU 51 12.870 0.227 -12.114 388 H GLY 52 H GLY 52 9.345 0.198 -11.192 389 1HA GLY 52 1HA GLY 52 6.440 0.147 -11.381 390 2HA GLY 52 2HA GLY 52 7.323 -0.687 -12.656 391 H ARG 53 H ARG 53 8.321 -0.409 -9.320 392 HA ARG 53 HA ARG 53 7.891 -3.283 -8.940 393 1HB ARG 53 2HB ARG 53 10.474 -1.808 -8.394 394 2HB ARG 53 1HB ARG 53 10.172 -3.515 -8.094 395 1HG ARG 53 2HG ARG 53 9.544 -3.288 -10.728 396 2HG ARG 53 1HG ARG 53 10.859 -2.145 -10.573 397 1HD ARG 53 2HD ARG 53 12.132 -3.964 -10.913 398 2HD ARG 53 1HD ARG 53 11.889 -4.178 -9.176 399 HE ARG 53 HE ARG 53 10.021 -5.399 -11.052 400 1HH1 ARG 53 2HH1 ARG 53 12.547 -5.721 -8.660 401 2HH1 ARG 53 1HH1 ARG 53 12.248 -7.408 -8.368 402 1HH2 ARG 53 2HH2 ARG 53 9.653 -7.640 -10.736 403 2HH2 ARG 53 1HH2 ARG 53 10.611 -8.511 -9.571 404 H LYS 54 H LYS 54 6.691 -3.460 -7.196 405 HA LYS 54 HA LYS 54 6.872 -1.510 -5.023 406 1HB LYS 54 2HB LYS 54 5.198 -3.338 -4.029 407 2HB LYS 54 1HB LYS 54 4.659 -2.116 -5.171 408 1HG LYS 54 2HG LYS 54 3.809 -3.822 -6.320 409 2HG LYS 54 1HG LYS 54 5.469 -4.129 -6.832 410 1HD LYS 54 2HD LYS 54 5.603 -5.516 -4.632 411 2HD LYS 54 1HD LYS 54 3.841 -5.505 -4.731 412 1HE LYS 54 2HE LYS 54 3.818 -6.986 -6.402 413 2HE LYS 54 1HE LYS 54 5.124 -6.164 -7.256 414 1HZ LYS 54 1HZ LYS 54 6.325 -7.945 -6.707 415 2HZ LYS 54 2HZ LYS 54 5.212 -8.461 -5.537 416 3HZ LYS 54 3HZ LYS 54 6.382 -7.301 -5.135 417 H LEU 55 H LEU 55 8.749 -1.776 -3.980 418 HA LEU 55 HA LEU 55 9.169 -4.304 -2.576 419 1HB LEU 55 2HB LEU 55 10.963 -5.034 -3.703 420 2HB LEU 55 1HB LEU 55 10.508 -3.912 -4.970 421 HG LEU 55 HG LEU 55 12.093 -2.628 -2.895 422 1HD1 LEU 55 1HD1 LEU 55 13.882 -3.937 -2.721 423 2HD1 LEU 55 2HD1 LEU 55 12.863 -5.231 -3.358 424 3HD1 LEU 55 3HD1 LEU 55 13.886 -4.296 -4.449 425 1HD2 LEU 55 1HD2 LEU 55 12.668 -1.381 -4.640 426 2HD2 LEU 55 2HD2 LEU 55 13.245 -2.785 -5.538 427 3HD2 LEU 55 3HD2 LEU 55 11.540 -2.339 -5.600 428 H CYS 56 H CYS 56 10.602 -3.998 -0.725 429 HA CYS 56 HA CYS 56 10.204 -1.481 0.424 430 1HB CYS 56 2HB CYS 56 12.366 -2.686 1.750 431 2HB CYS 56 1HB CYS 56 10.668 -2.691 2.213 432 H ARG 57 H ARG 57 11.421 0.268 0.620 433 HA ARG 57 HA ARG 57 13.530 0.651 -1.273 434 1HB ARG 57 2HB ARG 57 11.713 2.317 -0.334 435 2HB ARG 57 1HB ARG 57 12.955 2.644 0.868 436 1HG ARG 57 2HG ARG 57 13.766 2.677 -1.981 437 2HG ARG 57 1HG ARG 57 12.777 4.013 -1.386 438 1HD ARG 57 2HD ARG 57 14.661 3.665 0.591 439 2HD ARG 57 1HD ARG 57 15.571 3.405 -0.898 440 HE ARG 57 HE ARG 57 14.354 5.871 0.037 441 1HH1 ARG 57 2HH1 ARG 57 15.665 4.155 -2.724 442 2HH1 ARG 57 1HH1 ARG 57 16.095 5.600 -3.585 443 1HH2 ARG 57 2HH2 ARG 57 14.936 7.758 -1.069 444 2HH2 ARG 57 1HH2 ARG 57 15.697 7.670 -2.626 445 H ARG 58 H ARG 58 13.309 0.229 2.193 446 HA ARG 58 HA ARG 58 16.064 0.885 2.642 447 1HB ARG 58 2HB ARG 58 14.033 -0.505 4.400 448 2HB ARG 58 1HB ARG 58 15.647 -0.050 4.925 449 1HG ARG 58 2HG ARG 58 13.248 1.611 4.514 450 2HG ARG 58 1HG ARG 58 14.544 1.754 5.700 451 1HD ARG 58 2HD ARG 58 16.002 2.496 3.716 452 2HD ARG 58 1HD ARG 58 14.479 2.719 2.855 453 HE ARG 58 HE ARG 58 13.908 4.455 4.354 454 1HH1 ARG 58 2HH1 ARG 58 17.135 3.203 4.866 455 2HH1 ARG 58 1HH1 ARG 58 17.650 4.572 5.811 456 1HH2 ARG 58 2HH2 ARG 58 14.551 6.219 5.621 457 2HH2 ARG 58 1HH2 ARG 58 16.174 6.285 6.246 458 H ASP 59 H ASP 59 14.202 -2.113 2.298 459 HA ASP 59 HA ASP 59 16.614 -3.695 2.534 460 1HB ASP 59 2HB ASP 59 13.894 -4.667 1.680 461 2HB ASP 59 1HB ASP 59 15.230 -5.636 2.252 462 H TYR 60 H TYR 60 15.297 -1.786 0.196 463 HA TYR 60 HA TYR 60 16.142 -3.301 -2.132 464 1HB TYR 60 2HB TYR 60 14.637 -1.814 -2.984 465 2HB TYR 60 1HB TYR 60 14.822 -0.707 -1.633 466 HD1 TYR 60 1HD TYR 60 16.412 1.139 -1.739 467 HD2 TYR 60 2HD TYR 60 15.972 -1.578 -4.996 468 HE1 TYR 60 1HE TYR 60 17.653 2.686 -3.196 469 HE2 TYR 60 2HE TYR 60 17.222 -0.040 -6.452 470 HH TYR 60 HH TYR 60 18.304 3.140 -5.293 471 H LEU 61 H LEU 61 17.254 -0.631 -0.123 472 HA LEU 61 HA LEU 61 19.735 -0.225 -1.450 473 1HB LEU 61 2HB LEU 61 18.303 0.799 0.824 474 2HB LEU 61 1HB LEU 61 19.969 0.486 1.274 475 HG LEU 61 HG LEU 61 20.545 2.445 0.388 476 1HD1 LEU 61 1HD1 LEU 61 20.979 2.560 -1.825 477 2HD1 LEU 61 2HD1 LEU 61 20.525 0.859 -1.771 478 3HD1 LEU 61 3HD1 LEU 61 19.348 2.069 -2.282 479 1HD2 LEU 61 1HD2 LEU 61 17.778 2.710 -0.762 480 2HD2 LEU 61 2HD2 LEU 61 18.191 3.055 0.918 481 3HD2 LEU 61 3HD2 LEU 61 18.912 4.005 -0.381 482 H ARG 62 H ARG 62 18.859 -1.810 1.569 483 HA ARG 62 HA ARG 62 20.334 -4.128 0.982 484 1HB ARG 62 2HB ARG 62 22.094 -2.363 1.917 485 2HB ARG 62 1HB ARG 62 21.434 -2.872 3.464 486 1HG ARG 62 2HG ARG 62 23.307 -4.230 3.111 487 2HG ARG 62 1HG ARG 62 21.918 -5.249 2.727 488 1HD ARG 62 2HD ARG 62 23.351 -5.679 0.964 489 2HD ARG 62 1HD ARG 62 22.300 -4.429 0.301 490 HE ARG 62 HE ARG 62 24.697 -3.410 1.545 491 1HH1 ARG 62 2HH1 ARG 62 23.293 -4.656 -1.421 492 2HH1 ARG 62 1HH1 ARG 62 24.443 -3.856 -2.452 493 1HH2 ARG 62 2HH2 ARG 62 26.208 -2.362 0.201 494 2HH2 ARG 62 1HH2 ARG 62 26.116 -2.552 -1.525 495 H LEU 63 H LEU 63 19.913 -2.629 4.151 496 HA LEU 63 HA LEU 63 17.399 -4.099 4.446 497 1HB LEU 63 2HB LEU 63 18.332 -4.007 7.025 498 2HB LEU 63 1HB LEU 63 18.297 -5.420 5.985 499 HG LEU 63 HG LEU 63 20.651 -3.968 5.374 500 1HD1 LEU 63 1HD1 LEU 63 21.451 -3.184 7.268 501 2HD1 LEU 63 2HD1 LEU 63 19.893 -3.510 8.024 502 3HD1 LEU 63 3HD1 LEU 63 21.171 -4.726 8.080 503 1HD2 LEU 63 1HD2 LEU 63 21.611 -6.033 5.590 504 2HD2 LEU 63 2HD2 LEU 63 20.617 -6.472 6.981 505 3HD2 LEU 63 3HD2 LEU 63 19.916 -6.476 5.361 506 H GLY 64 H GLY 64 19.414 -1.381 5.147 507 1HA GLY 64 1HA GLY 64 16.988 0.133 5.764 508 2HA GLY 64 2HA GLY 64 18.419 0.331 6.768 509 H GLY 65 H GLY 65 20.487 0.732 5.362 510 1HA GLY 65 1HA GLY 65 19.839 2.503 3.116 511 2HA GLY 65 2HA GLY 65 20.615 3.228 4.513 512 H SER 66 H SER 66 21.500 0.003 3.646 513 HA SER 66 HA SER 66 23.672 -0.787 3.473 514 1HB SER 66 2HB SER 66 24.357 -0.057 0.938 515 2HB SER 66 1HB SER 66 23.242 -1.364 1.341 516 HG SER 66 HG SER 66 22.762 1.004 0.104 517 H GLY 67 H GLY 67 23.984 1.534 4.930 518 1HA GLY 67 1HA GLY 67 26.227 2.937 3.635 519 2HA GLY 67 2HA GLY 67 25.232 3.591 4.928 520 H GLY 68 H GLY 68 26.776 0.416 4.685 521 1HA GLY 68 1HA GLY 68 27.583 0.357 7.358 522 2HA GLY 68 2HA GLY 68 28.218 -0.673 6.086 523 H HIS 69 H HIS 69 29.121 1.797 4.617 524 HA HIS 69 HA HIS 69 31.787 1.860 5.535 525 1HB HIS 69 2HB HIS 69 31.716 4.078 4.036 526 2HB HIS 69 1HB HIS 69 31.757 2.477 3.339 527 HD2 HIS 69 2HD HIS 69 29.830 2.006 1.543 528 HE1 HIS 69 1HE HIS 69 27.258 5.166 2.691 529 HE2 HIS 69 2HE HIS 69 27.603 3.254 1.059 530 H MET 70 H MET 70 30.077 4.830 5.047 531 HA MET 70 HA MET 70 31.413 6.166 7.138 532 1HB MET 70 2HB MET 70 28.873 7.015 5.734 533 2HB MET 70 1HB MET 70 29.985 8.061 6.608 534 1HG MET 70 2HG MET 70 31.740 7.507 4.967 535 2HG MET 70 1HG MET 70 30.566 6.549 4.074 536 1HE MET 70 1HE MET 70 28.624 10.051 5.199 537 2HE MET 70 2HE MET 70 30.063 9.569 6.097 538 3HE MET 70 3HE MET 70 30.127 10.949 5.002 539 H GLY 71 H GLY 71 28.197 4.735 6.932 540 1HA GLY 71 1HA GLY 71 27.467 3.768 9.125 541 2HA GLY 71 2HA GLY 71 27.813 5.355 9.793 542 H SER 72 H SER 72 26.751 7.010 7.889 543 HA SER 72 HA SER 72 23.905 6.256 7.777 544 1HB SER 72 2HB SER 72 24.618 9.104 8.275 545 2HB SER 72 1HB SER 72 23.239 8.169 8.855 546 HG SER 72 HG SER 72 24.356 7.507 10.541 547 H GLY 73 H GLY 73 23.110 6.415 5.781 548 1HA GLY 73 1HA GLY 73 22.620 7.556 3.787 549 2HA GLY 73 2HA GLY 73 24.037 8.560 4.037 550 H GLY 74 H GLY 74 24.239 8.087 1.687 551 1HA GLY 74 1HA GLY 74 26.386 6.791 0.919 552 2HA GLY 74 2HA GLY 74 25.305 5.420 1.109 553 H ASP 75 H ASP 75 23.213 7.707 0.165 554 HA ASP 75 HA ASP 75 23.853 7.462 -2.696 555 1HB ASP 75 2HB ASP 75 22.206 5.656 -1.806 556 2HB ASP 75 1HB ASP 75 21.040 6.974 -1.765 557 H VAL 76 H VAL 76 23.238 9.158 -3.955 558 HA VAL 76 HA VAL 76 22.549 11.590 -2.587 559 HB VAL 76 HB VAL 76 22.852 11.111 -5.555 560 1HG1 VAL 76 1HG1 VAL 76 23.566 13.740 -4.707 561 2HG1 VAL 76 2HG1 VAL 76 22.310 13.244 -5.842 562 3HG1 VAL 76 3HG1 VAL 76 21.945 13.365 -4.120 563 1HG2 VAL 76 1HG2 VAL 76 25.075 12.491 -4.598 564 2HG2 VAL 76 2HG2 VAL 76 24.803 11.200 -3.428 565 3HG2 VAL 76 3HG2 VAL 76 25.017 10.813 -5.134 566 H MET 77 H MET 77 20.591 12.382 -2.276 567 HA MET 77 HA MET 77 18.234 11.107 -3.223 568 1HB MET 77 2HB MET 77 18.228 13.893 -2.127 569 2HB MET 77 1HB MET 77 17.080 12.588 -1.858 570 1HG MET 77 2HG MET 77 18.249 11.732 -0.146 571 2HG MET 77 1HG MET 77 19.804 12.106 -0.863 572 1HE MET 77 1HE MET 77 21.183 13.875 -0.466 573 2HE MET 77 2HE MET 77 21.038 15.064 0.829 574 3HE MET 77 3HE MET 77 21.169 13.349 1.217 575 H VAL 78 H VAL 78 17.526 11.267 -5.256 576 HA VAL 78 HA VAL 78 17.979 13.803 -6.690 577 HB VAL 78 HB VAL 78 17.932 12.490 -8.788 578 1HG1 VAL 78 1HG1 VAL 78 20.082 13.021 -8.006 579 2HG1 VAL 78 2HG1 VAL 78 19.995 11.827 -6.711 580 3HG1 VAL 78 3HG1 VAL 78 20.141 11.299 -8.388 581 1HG2 VAL 78 1HG2 VAL 78 17.006 10.426 -7.059 582 2HG2 VAL 78 2HG2 VAL 78 17.160 10.410 -8.816 583 3HG2 VAL 78 3HG2 VAL 78 18.514 9.900 -7.808 584 H VAL 79 H VAL 79 15.596 12.110 -5.224 585 HA VAL 79 HA VAL 79 13.573 12.890 -7.225 586 HB VAL 79 HB VAL 79 12.872 11.095 -4.941 587 1HG1 VAL 79 1HG1 VAL 79 11.931 10.487 -7.638 588 2HG1 VAL 79 2HG1 VAL 79 11.026 10.692 -6.138 589 3HG1 VAL 79 3HG1 VAL 79 11.500 12.105 -7.082 590 1HG2 VAL 79 1HG2 VAL 79 13.491 9.343 -6.996 591 2HG2 VAL 79 2HG2 VAL 79 14.865 10.449 -6.952 592 3HG2 VAL 79 3HG2 VAL 79 14.399 9.565 -5.500 593 H GLY 80 H GLY 80 14.673 13.263 -3.965 594 1HA GLY 80 1HA GLY 80 14.056 15.531 -3.041 595 2HA GLY 80 2HA GLY 80 12.400 15.073 -3.416 596 H GLU 81 H GLU 81 14.612 12.687 -2.296 597 HA GLU 81 HA GLU 81 12.997 12.116 -0.008 598 1HB GLU 81 2HB GLU 81 15.733 10.972 -0.490 599 2HB GLU 81 1HB GLU 81 14.334 10.208 0.253 600 1HG GLU 81 2HG GLU 81 14.167 9.173 -1.729 601 2HG GLU 81 1HG GLU 81 13.367 10.666 -2.216 602 HA PRO 82 HA PRO 82 15.205 14.821 2.690 603 1HB PRO 82 2HB PRO 82 13.942 13.597 4.974 604 2HB PRO 82 1HB PRO 82 13.586 15.150 4.219 605 1HG PRO 82 2HG PRO 82 11.886 12.997 4.169 606 2HG PRO 82 1HG PRO 82 11.893 14.284 2.950 607 1HD PRO 82 2HD PRO 82 13.089 11.544 2.825 608 2HD PRO 82 1HD PRO 82 12.259 12.475 1.559 609 H THR 83 H THR 83 16.923 14.828 4.077 610 HA THR 83 HA THR 83 18.427 12.413 4.310 611 HB THR 83 HB THR 83 19.357 14.666 5.922 612 HG1 THR 83 1HG THR 83 18.683 15.026 3.173 613 1HG2 THR 83 1HG2 THR 83 21.369 14.318 4.620 614 2HG2 THR 83 2HG2 THR 83 20.485 13.295 3.491 615 3HG2 THR 83 3HG2 THR 83 20.730 12.764 5.154 616 H LEU 84 H LEU 84 17.480 10.967 5.674 617 HA LEU 84 HA LEU 84 16.615 11.790 8.324 618 1HB LEU 84 2HB LEU 84 16.535 9.165 6.847 619 2HB LEU 84 1HB LEU 84 16.093 9.305 8.537 620 HG LEU 84 HG LEU 84 14.628 10.198 6.112 621 1HD1 LEU 84 1HD1 LEU 84 13.858 8.231 7.192 622 2HD1 LEU 84 2HD1 LEU 84 13.894 9.008 8.775 623 3HD1 LEU 84 3HD1 LEU 84 12.709 9.513 7.569 624 1HD2 LEU 84 1HD2 LEU 84 14.302 11.584 8.770 625 2HD2 LEU 84 2HD2 LEU 84 15.060 12.299 7.346 626 3HD2 LEU 84 3HD2 LEU 84 13.353 11.855 7.309 627 H MET 85 H MET 85 17.286 9.928 10.046 628 HA MET 85 HA MET 85 20.090 10.360 10.422 629 1HB MET 85 2HB MET 85 17.939 9.776 12.073 630 2HB MET 85 1HB MET 85 18.911 8.312 12.130 631 1HG MET 85 2HG MET 85 20.577 9.299 13.270 632 2HG MET 85 1HG MET 85 20.394 10.833 12.419 633 1HE MET 85 1HE MET 85 18.303 9.120 15.963 634 2HE MET 85 2HE MET 85 19.708 8.563 15.052 635 3HE MET 85 3HE MET 85 19.902 9.771 16.321 636 H GLY 86 H GLY 86 18.085 7.620 9.478 637 1HA GLY 86 1HA GLY 86 20.496 5.967 9.172 638 2HA GLY 86 2HA GLY 86 18.838 5.383 9.146 639 H GLY 87 H GLY 87 21.036 7.525 7.334 640 1HA GLY 87 1HA GLY 87 21.485 7.263 5.010 641 2HA GLY 87 2HA GLY 87 19.990 6.352 4.852 642 H GLU 88 H GLU 88 20.790 8.508 3.176 643 HA GLU 88 HA GLU 88 19.384 10.852 4.007 644 1HB GLU 88 2HB GLU 88 20.374 10.319 1.232 645 2HB GLU 88 1HB GLU 88 20.227 11.862 2.068 646 1HG GLU 88 2HG GLU 88 22.394 11.662 2.459 647 2HG GLU 88 1HG GLU 88 21.946 10.482 3.680 648 H PHE 89 H PHE 89 17.761 8.454 3.755 649 HA PHE 89 HA PHE 89 15.913 9.342 1.645 650 1HB PHE 89 2HB PHE 89 15.590 6.562 2.450 651 2HB PHE 89 1HB PHE 89 15.791 7.253 0.842 652 HD1 PHE 89 1HD PHE 89 17.402 5.520 3.552 653 HD2 PHE 89 2HD PHE 89 18.076 7.738 -0.017 654 HE1 PHE 89 1HE PHE 89 19.724 4.719 3.496 655 HE2 PHE 89 2HE PHE 89 20.398 6.934 -0.083 656 HZ PHE 89 HZ PHE 89 21.224 5.443 1.687 657 H GLY 90 H GLY 90 13.688 9.071 2.071 658 1HA GLY 90 1HA GLY 90 12.950 8.657 4.880 659 2HA GLY 90 2HA GLY 90 12.479 10.161 4.095 660 H ASP 91 H ASP 91 12.195 6.686 3.964 661 HA ASP 91 HA ASP 91 9.560 6.889 2.744 662 1HB ASP 91 2HB ASP 91 10.508 4.901 1.266 663 2HB ASP 91 1HB ASP 91 10.693 6.582 0.793 664 H GLU 92 H GLU 92 11.665 4.110 2.960 665 HA GLU 92 HA GLU 92 11.731 2.245 4.237 666 1HB GLU 92 2HB GLU 92 10.083 3.929 6.115 667 2HB GLU 92 1HB GLU 92 10.615 2.300 6.504 668 1HG GLU 92 2HG GLU 92 12.339 3.382 7.443 669 2HG GLU 92 1HG GLU 92 12.962 3.385 5.794 670 H ASP 93 H ASP 93 8.756 3.494 3.156 671 HA ASP 93 HA ASP 93 7.409 0.932 3.681 672 1HB ASP 93 2HB ASP 93 5.303 2.299 3.296 673 2HB ASP 93 1HB ASP 93 6.214 2.670 4.753 674 H GLU 94 H GLU 94 9.143 1.302 1.392 675 HA GLU 94 HA GLU 94 7.720 2.095 -0.855 676 1HB GLU 94 2HB GLU 94 10.318 1.242 -0.317 677 2HB GLU 94 1HB GLU 94 9.718 0.157 -1.564 678 1HG GLU 94 2HG GLU 94 8.892 2.531 -2.527 679 2HG GLU 94 1HG GLU 94 10.352 3.014 -1.675 680 H ARG 95 H ARG 95 5.834 1.272 -1.280 681 HA ARG 95 HA ARG 95 5.525 -1.021 -2.817 682 1HB ARG 95 2HB ARG 95 5.648 -1.741 -0.233 683 2HB ARG 95 1HB ARG 95 3.948 -1.333 -0.338 684 1HG ARG 95 2HG ARG 95 3.700 -3.470 -0.975 685 2HG ARG 95 1HG ARG 95 4.264 -2.891 -2.546 686 1HD ARG 95 2HD ARG 95 6.568 -3.427 -1.901 687 2HD ARG 95 1HD ARG 95 5.986 -4.052 -0.358 688 HE ARG 95 HE ARG 95 6.146 -5.470 -2.760 689 1HH1 ARG 95 2HH1 ARG 95 3.840 -4.971 -0.162 690 2HH1 ARG 95 1HH1 ARG 95 3.100 -6.535 -0.344 691 1HH2 ARG 95 2HH2 ARG 95 5.229 -7.525 -2.957 692 2HH2 ARG 95 1HH2 ARG 95 3.881 -7.989 -1.951 693 H LEU 96 H LEU 96 4.922 1.666 -3.125 694 HA LEU 96 HA LEU 96 2.507 2.412 -1.989 695 1HB LEU 96 2HB LEU 96 2.842 4.465 -2.834 696 2HB LEU 96 1HB LEU 96 4.457 3.819 -2.997 697 HG LEU 96 HG LEU 96 3.632 3.244 -5.435 698 1HD1 LEU 96 1HD1 LEU 96 1.324 4.319 -4.619 699 2HD1 LEU 96 2HD1 LEU 96 2.138 5.791 -5.146 700 3HD1 LEU 96 3HD1 LEU 96 1.898 4.463 -6.280 701 1HD2 LEU 96 1HD2 LEU 96 4.740 5.200 -6.151 702 2HD2 LEU 96 2HD2 LEU 96 4.269 6.088 -4.699 703 3HD2 LEU 96 3HD2 LEU 96 5.455 4.787 -4.592 704 H ILE 97 H ILE 97 0.536 2.884 -2.720 705 HA ILE 97 HA ILE 97 -0.366 1.784 -5.250 706 HB ILE 97 HB ILE 97 -2.311 1.105 -3.278 707 1HG1 ILE 97 2HG1 ILE 97 -0.739 -0.819 -2.313 708 2HG1 ILE 97 1HG1 ILE 97 0.495 0.413 -2.551 709 1HG2 ILE 97 1HG2 ILE 97 -0.762 -0.188 -5.411 710 2HG2 ILE 97 2HG2 ILE 97 -1.414 -1.265 -4.176 711 3HG2 ILE 97 3HG2 ILE 97 -2.496 -0.208 -5.083 712 1HD1 ILE 97 1HD1 ILE 97 -1.485 0.164 -0.477 713 2HD1 ILE 97 2HD1 ILE 97 -0.059 1.200 -0.558 714 3HD1 ILE 97 3HD1 ILE 97 -1.581 1.736 -1.269 715 H THR 98 H THR 98 -3.098 2.087 -4.674 716 HA THR 98 HA THR 98 -3.391 4.777 -3.625 717 HB THR 98 HB THR 98 -3.219 4.376 -6.372 718 HG1 THR 98 1HG THR 98 -4.649 6.571 -5.299 719 1HG2 THR 98 1HG2 THR 98 -5.752 3.566 -5.843 720 2HG2 THR 98 2HG2 THR 98 -5.235 4.300 -7.361 721 3HG2 THR 98 3HG2 THR 98 -6.000 5.292 -6.119 722 H ARG 99 H ARG 99 -5.305 5.098 -2.615 723 HA ARG 99 HA ARG 99 -6.795 2.797 -1.886 724 1HB ARG 99 2HB ARG 99 -7.655 5.660 -1.456 725 2HB ARG 99 1HB ARG 99 -8.103 4.251 -0.507 726 1HG ARG 99 2HG ARG 99 -5.223 4.874 -0.651 727 2HG ARG 99 1HG ARG 99 -6.236 6.002 0.250 728 1HD ARG 99 2HD ARG 99 -5.758 3.084 0.750 729 2HD ARG 99 1HD ARG 99 -5.518 4.444 1.843 730 HE ARG 99 HE ARG 99 -8.216 4.428 1.312 731 1HH1 ARG 99 2HH1 ARG 99 -5.879 2.230 2.734 732 2HH1 ARG 99 1HH1 ARG 99 -7.070 1.387 3.687 733 1HH2 ARG 99 2HH2 ARG 99 -9.773 3.336 2.564 734 2HH2 ARG 99 1HH2 ARG 99 -9.294 1.989 3.557 735 H LEU 100 H LEU 100 -8.119 1.807 -3.261 736 HA LEU 100 HA LEU 100 -9.634 3.452 -5.155 737 1HB LEU 100 2HB LEU 100 -8.077 1.287 -5.634 738 2HB LEU 100 1HB LEU 100 -9.654 0.530 -5.493 739 HG LEU 100 HG LEU 100 -10.075 2.728 -7.153 740 1HD1 LEU 100 1HD1 LEU 100 -8.315 3.096 -8.474 741 2HD1 LEU 100 2HD1 LEU 100 -7.366 2.333 -7.197 742 3HD1 LEU 100 3HD1 LEU 100 -7.918 1.381 -8.575 743 1HD2 LEU 100 1HD2 LEU 100 -10.070 0.830 -8.930 744 2HD2 LEU 100 2HD2 LEU 100 -9.822 -0.220 -7.536 745 3HD2 LEU 100 3HD2 LEU 100 -11.253 0.806 -7.622 746 H GLU 101 H GLU 101 -11.713 2.391 -5.822 747 HA GLU 101 HA GLU 101 -13.193 1.499 -3.439 748 1HB GLU 101 2HB GLU 101 -14.919 2.867 -5.278 749 2HB GLU 101 1HB GLU 101 -14.569 3.259 -3.601 750 1HG GLU 101 2HG GLU 101 -12.369 4.261 -4.684 751 2HG GLU 101 1HG GLU 101 -13.416 4.371 -6.096 752 H ASN 102 H ASN 102 -14.577 -0.176 -3.721 753 HA ASN 102 HA ASN 102 -14.331 -1.703 -6.140 754 1HB ASN 102 2HB ASN 102 -14.695 -2.438 -3.591 755 2HB ASN 102 1HB ASN 102 -16.384 -2.421 -4.105 756 1HD2 ASN 102 1HD2 ASN 102 -14.901 -4.701 -3.284 757 2HD2 ASN 102 2HD2 ASN 102 -14.828 -5.786 -4.641 758 H THR 103 H THR 103 -16.513 -2.770 -6.914 759 HA THR 103 HA THR 103 -17.893 -0.878 -8.392 760 HB THR 103 HB THR 103 -18.995 -3.573 -7.603 761 HG1 THR 103 1HG THR 103 -17.337 -4.392 -8.615 762 1HG2 THR 103 1HG2 THR 103 -19.372 -1.858 -10.059 763 2HG2 THR 103 2HG2 THR 103 -20.566 -2.169 -8.799 764 3HG2 THR 103 3HG2 THR 103 -20.023 -3.482 -9.842 765 H GLN 104 H GLN 104 -19.332 -2.834 -5.783 766 HA GLN 104 HA GLN 104 -21.509 -0.967 -5.562 767 1HB GLN 104 2HB GLN 104 -20.879 -3.563 -4.173 768 2HB GLN 104 1HB GLN 104 -22.303 -2.597 -3.807 769 1HG GLN 104 2HG GLN 104 -21.677 -3.545 -6.581 770 2HG GLN 104 1HG GLN 104 -22.594 -4.512 -5.432 771 1HE2 GLN 104 1HE2 GLN 104 -23.703 -1.931 -4.308 772 2HE2 GLN 104 2HE2 GLN 104 -24.946 -1.478 -5.423 773 H PHE 105 H PHE 105 -19.462 0.478 -4.954 774 HA PHE 105 HA PHE 105 -19.804 0.903 -2.066 775 1HB PHE 105 2HB PHE 105 -17.523 0.214 -2.255 776 2HB PHE 105 1HB PHE 105 -17.258 1.248 -3.657 777 HD1 PHE 105 1HD PHE 105 -16.833 3.581 -3.413 778 HD2 PHE 105 2HD PHE 105 -17.721 1.187 -0.018 779 HE1 PHE 105 1HE PHE 105 -16.078 5.404 -1.933 780 HE2 PHE 105 2HE PHE 105 -16.972 2.996 1.469 781 HZ PHE 105 HZ PHE 105 -16.155 5.111 0.512 782 H ASP 106 H ASP 106 -19.349 2.217 -5.256 783 HA ASP 106 HA ASP 106 -19.143 4.888 -4.980 784 1HB ASP 106 2HB ASP 106 -20.028 3.099 -6.993 785 2HB ASP 106 1HB ASP 106 -21.159 4.444 -6.949 786 H ALA 107 H ALA 107 -21.981 2.983 -4.466 787 HA ALA 107 HA ALA 107 -23.693 3.439 -2.965 788 1HB ALA 107 1HB ALA 107 -22.956 5.433 -1.968 789 2HB ALA 107 2HB ALA 107 -23.065 6.334 -3.482 790 3HB ALA 107 3HB ALA 107 -24.534 5.809 -2.657 791 H ALA 108 H ALA 108 -23.938 2.396 -5.304 792 HA ALA 108 HA ALA 108 -25.778 3.926 -6.967 793 1HB ALA 108 1HB ALA 108 -25.369 2.388 -8.638 794 2HB ALA 108 2HB ALA 108 -23.844 2.371 -7.754 795 3HB ALA 108 3HB ALA 108 -25.023 1.087 -7.499 796 H ASN 109 H ASN 109 -25.817 1.381 -4.607 797 HA ASN 109 HA ASN 109 -28.567 0.653 -5.294 798 1HB ASN 109 2HB ASN 109 -26.612 -0.983 -4.661 799 2HB ASN 109 1HB ASN 109 -27.049 -0.556 -3.010 800 1HD2 ASN 109 1HD2 ASN 109 -27.366 -2.998 -3.196 801 2HD2 ASN 109 2HD2 ASN 109 -28.994 -3.505 -3.547 802 H GLY 110 H GLY 110 -26.825 2.593 -3.079 803 1HA GLY 110 1HA GLY 110 -29.176 3.709 -1.983 804 2HA GLY 110 2HA GLY 110 -28.475 2.584 -0.830 805 H ILE 111 H ILE 111 -27.892 4.105 0.677 806 HA ILE 111 HA ILE 111 -26.066 6.242 -0.142 807 HB ILE 111 HB ILE 111 -26.828 5.822 2.711 808 1HG1 ILE 111 2HG1 ILE 111 -28.681 7.615 1.436 809 2HG1 ILE 111 1HG1 ILE 111 -28.768 6.034 0.665 810 1HG2 ILE 111 1HG2 ILE 111 -25.754 7.942 1.013 811 2HG2 ILE 111 2HG2 ILE 111 -27.022 8.482 2.113 812 3HG2 ILE 111 3HG2 ILE 111 -25.585 7.682 2.749 813 1HD1 ILE 111 1HD1 ILE 111 -28.846 5.218 3.172 814 2HD1 ILE 111 2HD1 ILE 111 -29.468 6.848 3.425 815 3HD1 ILE 111 3HD1 ILE 111 -30.295 5.751 2.320 816 H ASP 112 H ASP 112 -26.243 3.351 1.789 817 HA ASP 112 HA ASP 112 -23.303 3.314 1.914 818 1HB ASP 112 2HB ASP 112 -24.360 3.206 4.173 819 2HB ASP 112 1HB ASP 112 -25.198 1.739 3.674 820 H ASP 113 H ASP 113 -23.176 2.600 -0.140 821 HA ASP 113 HA ASP 113 -24.764 0.861 -1.473 822 1HB ASP 113 2HB ASP 113 -22.582 2.271 -2.137 823 2HB ASP 113 1HB ASP 113 -21.886 0.652 -2.136 824 H GLU 114 H GLU 114 -24.987 -1.247 -1.804 825 HA GLU 114 HA GLU 114 -23.053 -3.192 -0.983 826 1HB GLU 114 2HB GLU 114 -24.610 -2.454 1.046 827 2HB GLU 114 1HB GLU 114 -25.733 -3.560 0.270 828 1HG GLU 114 2HG GLU 114 -22.994 -4.568 0.680 829 2HG GLU 114 1HG GLU 114 -23.950 -4.293 2.135 Start of MODEL 17 1 1H GLY 1 1H GLY 1 -18.239 -13.898 -3.378 2 2H GLY 1 2H GLY 1 -19.515 -12.813 -3.112 3 3H GLY 1 3H GLY 1 -19.179 -14.022 -1.970 4 1HA GLY 1 2HA GLY 1 -18.075 -12.420 -0.897 5 2HA GLY 1 1HA GLY 1 -16.814 -12.805 -2.062 6 H SER 2 H SER 2 -15.963 -10.731 -2.099 7 HA SER 2 HA SER 2 -17.614 -8.445 -2.645 8 1HB SER 2 2HB SER 2 -14.923 -7.788 -3.110 9 2HB SER 2 1HB SER 2 -15.842 -7.515 -1.629 10 HG SER 2 HG SER 2 -14.824 -9.107 -0.698 11 H LEU 3 H LEU 3 -16.082 -6.984 -4.435 12 HA LEU 3 HA LEU 3 -16.642 -8.384 -6.947 13 1HB LEU 3 2HB LEU 3 -16.024 -5.463 -6.576 14 2HB LEU 3 1HB LEU 3 -16.721 -6.231 -7.988 15 HG LEU 3 HG LEU 3 -18.084 -5.983 -5.305 16 1HD1 LEU 3 1HD1 LEU 3 -17.641 -3.896 -6.852 17 2HD1 LEU 3 2HD1 LEU 3 -19.005 -4.564 -7.750 18 3HD1 LEU 3 3HD1 LEU 3 -19.194 -4.133 -6.050 19 1HD2 LEU 3 1HD2 LEU 3 -19.016 -7.856 -6.297 20 2HD2 LEU 3 2HD2 LEU 3 -20.087 -6.559 -6.826 21 3HD2 LEU 3 3HD2 LEU 3 -18.865 -7.197 -7.927 22 H LEU 4 H LEU 4 -14.170 -6.352 -5.424 23 HA LEU 4 HA LEU 4 -12.276 -6.888 -7.536 24 1HB LEU 4 2HB LEU 4 -11.497 -5.685 -4.918 25 2HB LEU 4 1HB LEU 4 -10.849 -5.375 -6.518 26 HG LEU 4 HG LEU 4 -13.665 -4.594 -6.137 27 1HD1 LEU 4 1HD1 LEU 4 -12.459 -4.042 -3.961 28 2HD1 LEU 4 2HD1 LEU 4 -11.513 -2.894 -4.913 29 3HD1 LEU 4 3HD1 LEU 4 -13.265 -2.713 -4.795 30 1HD2 LEU 4 1HD2 LEU 4 -13.169 -3.354 -7.912 31 2HD2 LEU 4 2HD2 LEU 4 -11.813 -2.595 -7.076 32 3HD2 LEU 4 3HD2 LEU 4 -11.582 -4.124 -7.929 33 H THR 5 H THR 5 -10.302 -7.895 -7.309 34 HA THR 5 HA THR 5 -9.947 -9.636 -4.985 35 HB THR 5 HB THR 5 -8.799 -11.018 -7.133 36 HG1 THR 5 1HG THR 5 -11.056 -11.267 -8.251 37 1HG2 THR 5 1HG2 THR 5 -9.666 -12.475 -5.656 38 2HG2 THR 5 2HG2 THR 5 -11.144 -12.333 -6.610 39 3HG2 THR 5 3HG2 THR 5 -10.930 -11.349 -5.160 40 H CYS 6 H CYS 6 -7.903 -9.687 -4.222 41 HA CYS 6 HA CYS 6 -6.104 -7.729 -5.331 42 1HB CYS 6 2HB CYS 6 -5.903 -7.342 -3.141 43 2HB CYS 6 1HB CYS 6 -6.675 -8.871 -2.735 44 H GLY 7 H GLY 7 -4.121 -8.066 -6.163 45 1HA GLY 7 1HA GLY 7 -3.658 -10.641 -7.322 46 2HA GLY 7 2HA GLY 7 -2.641 -9.222 -7.504 47 H GLY 8 H GLY 8 -2.972 -9.542 -4.282 48 1HA GLY 8 1HA GLY 8 -0.378 -10.869 -4.103 49 2HA GLY 8 2HA GLY 8 -1.137 -9.893 -2.857 50 H CYS 9 H CYS 9 -3.673 -11.244 -2.883 51 HA CYS 9 HA CYS 9 -2.878 -13.907 -1.918 52 1HB CYS 9 2HB CYS 9 -4.207 -13.665 0.060 53 2HB CYS 9 1HB CYS 9 -3.146 -12.265 -0.048 54 H GLN 10 H GLN 10 -5.290 -11.885 -3.381 55 HA GLN 10 HA GLN 10 -7.139 -12.296 -4.607 56 1HB GLN 10 2HB GLN 10 -5.401 -14.205 -5.406 57 2HB GLN 10 1HB GLN 10 -6.715 -15.214 -4.818 58 1HG GLN 10 2HG GLN 10 -8.198 -14.445 -6.408 59 2HG GLN 10 1HG GLN 10 -7.303 -12.950 -6.667 60 1HE2 GLN 10 1HE2 GLN 10 -6.144 -12.830 -8.444 61 2HE2 GLN 10 2HE2 GLN 10 -5.586 -14.184 -9.391 62 H GLN 11 H GLN 11 -7.148 -12.674 -1.649 63 HA GLN 11 HA GLN 11 -9.232 -14.662 -1.268 64 1HB GLN 11 2HB GLN 11 -8.942 -14.363 1.022 65 2HB GLN 11 1HB GLN 11 -7.327 -14.106 0.382 66 1HG GLN 11 2HG GLN 11 -7.607 -11.711 0.554 67 2HG GLN 11 1HG GLN 11 -9.271 -11.923 1.100 68 1HE2 GLN 11 1HE2 GLN 11 -5.959 -12.829 1.899 69 2HE2 GLN 11 2HE2 GLN 11 -6.171 -12.785 3.622 70 H ASN 12 H ASN 12 -9.429 -11.997 -2.789 71 HA ASN 12 HA ASN 12 -11.116 -10.611 -3.396 72 1HB ASN 12 2HB ASN 12 -12.497 -12.538 -1.685 73 2HB ASN 12 1HB ASN 12 -13.254 -10.947 -1.689 74 1HD2 ASN 12 1HD2 ASN 12 -14.141 -10.150 -3.572 75 2HD2 ASN 12 2HD2 ASN 12 -14.443 -11.155 -4.958 76 H ILE 13 H ILE 13 -11.349 -8.503 -3.010 77 HA ILE 13 HA ILE 13 -10.605 -7.561 -0.336 78 HB ILE 13 HB ILE 13 -10.951 -5.764 -2.694 79 1HG1 ILE 13 2HG1 ILE 13 -8.257 -6.871 -2.089 80 2HG1 ILE 13 1HG1 ILE 13 -9.371 -7.885 -2.999 81 1HG2 ILE 13 1HG2 ILE 13 -8.735 -5.094 -1.096 82 2HG2 ILE 13 2HG2 ILE 13 -10.276 -4.246 -1.230 83 3HG2 ILE 13 3HG2 ILE 13 -10.059 -5.491 0.000 84 1HD1 ILE 13 1HD1 ILE 13 -9.084 -5.103 -3.920 85 2HD1 ILE 13 2HD1 ILE 13 -7.688 -6.161 -4.137 86 3HD1 ILE 13 3HD1 ILE 13 -9.248 -6.602 -4.838 87 H GLY 14 H GLY 14 -12.270 -7.363 0.966 88 1HA GLY 14 1HA GLY 14 -14.618 -5.848 0.002 89 2HA GLY 14 2HA GLY 14 -14.765 -7.199 1.119 90 H ASP 15 H ASP 15 -12.189 -4.908 1.194 91 HA ASP 15 HA ASP 15 -12.733 -4.281 3.950 92 1HB ASP 15 2HB ASP 15 -10.531 -3.684 2.025 93 2HB ASP 15 1HB ASP 15 -10.708 -2.638 3.428 94 H ARG 16 H ARG 16 -12.075 -1.745 4.345 95 HA ARG 16 HA ARG 16 -14.198 -0.272 2.950 96 1HB ARG 16 2HB ARG 16 -14.528 0.988 4.823 97 2HB ARG 16 1HB ARG 16 -13.911 -0.471 5.579 98 1HG ARG 16 2HG ARG 16 -12.347 0.746 6.555 99 2HG ARG 16 1HG ARG 16 -11.675 1.120 4.966 100 1HD ARG 16 2HD ARG 16 -12.083 3.222 5.865 101 2HD ARG 16 1HD ARG 16 -13.508 2.931 4.869 102 HE ARG 16 HE ARG 16 -14.221 2.001 7.337 103 1HH1 ARG 16 2HH1 ARG 16 -12.961 5.061 6.151 104 2HH1 ARG 16 1HH1 ARG 16 -13.815 6.011 7.334 105 1HH2 ARG 16 2HH2 ARG 16 -15.329 3.257 8.905 106 2HH2 ARG 16 1HH2 ARG 16 -15.126 4.991 8.916 107 H TYR 17 H TYR 17 -10.826 -0.595 3.177 108 HA TYR 17 HA TYR 17 -10.437 1.473 1.212 109 1HB TYR 17 2HB TYR 17 -10.146 2.232 3.856 110 2HB TYR 17 1HB TYR 17 -8.505 1.792 3.402 111 HD1 TYR 17 1HD TYR 17 -11.348 3.604 1.805 112 HD2 TYR 17 2HD TYR 17 -7.204 3.606 2.759 113 HE1 TYR 17 1HE TYR 17 -11.117 5.800 0.732 114 HE2 TYR 17 2HE TYR 17 -6.954 5.807 1.681 115 HH TYR 17 HH TYR 17 -9.725 7.676 0.681 116 H PHE 18 H PHE 18 -8.518 1.083 0.017 117 HA PHE 18 HA PHE 18 -6.780 -1.072 0.893 118 1HB PHE 18 2HB PHE 18 -7.307 -2.623 -0.795 119 2HB PHE 18 1HB PHE 18 -8.859 -2.094 -0.170 120 HD1 PHE 18 1HD PHE 18 -7.834 -3.342 -2.921 121 HD2 PHE 18 2HD PHE 18 -9.128 0.515 -1.659 122 HE1 PHE 18 1HE PHE 18 -8.573 -2.840 -5.211 123 HE2 PHE 18 2HE PHE 18 -9.863 1.018 -3.948 124 HZ PHE 18 HZ PHE 18 -9.586 -0.660 -5.727 125 H LEU 19 H LEU 19 -5.529 -1.724 -1.405 126 HA LEU 19 HA LEU 19 -4.488 0.826 -2.435 127 1HB LEU 19 2HB LEU 19 -3.099 -1.532 -1.268 128 2HB LEU 19 1HB LEU 19 -2.346 -0.760 -2.645 129 HG LEU 19 HG LEU 19 -3.155 0.885 -0.281 130 1HD1 LEU 19 1HD1 LEU 19 -0.413 -0.272 -0.429 131 2HD1 LEU 19 2HD1 LEU 19 -1.306 0.340 0.962 132 3HD1 LEU 19 3HD1 LEU 19 -1.710 -1.232 0.278 133 1HD2 LEU 19 1HD2 LEU 19 -0.810 1.148 -2.148 134 2HD2 LEU 19 2HD2 LEU 19 -2.385 1.875 -2.465 135 3HD2 LEU 19 3HD2 LEU 19 -1.461 2.358 -1.042 136 H LYS 20 H LYS 20 -4.398 0.930 -4.634 137 HA LYS 20 HA LYS 20 -3.898 -1.385 -6.210 138 1HB LYS 20 2HB LYS 20 -5.956 -2.063 -6.716 139 2HB LYS 20 1HB LYS 20 -6.649 -0.814 -5.695 140 1HG LYS 20 2HG LYS 20 -5.810 0.202 -8.280 141 2HG LYS 20 1HG LYS 20 -6.978 -1.091 -8.417 142 1HD LYS 20 2HD LYS 20 -8.428 0.121 -6.797 143 2HD LYS 20 1HD LYS 20 -7.279 1.461 -6.847 144 1HE LYS 20 2HE LYS 20 -8.204 2.236 -8.710 145 2HE LYS 20 1HE LYS 20 -7.966 0.685 -9.514 146 1HZ LYS 20 1HZ LYS 20 -10.115 0.198 -9.311 147 2HZ LYS 20 2HZ LYS 20 -10.359 1.818 -8.876 148 3HZ LYS 20 3HZ LYS 20 -10.164 0.641 -7.673 149 H ALA 21 H ALA 21 -3.086 -0.798 -8.224 150 HA ALA 21 HA ALA 21 -3.672 1.425 -9.721 151 1HB ALA 21 1HB ALA 21 -1.221 2.105 -8.115 152 2HB ALA 21 2HB ALA 21 -2.098 3.124 -9.257 153 3HB ALA 21 3HB ALA 21 -2.831 2.702 -7.710 154 H ILE 22 H ILE 22 -1.016 -0.540 -8.549 155 HA ILE 22 HA ILE 22 0.882 -0.230 -10.441 156 HB ILE 22 HB ILE 22 0.226 -3.009 -9.520 157 1HG1 ILE 22 2HG1 ILE 22 0.689 -0.642 -7.860 158 2HG1 ILE 22 1HG1 ILE 22 0.072 -2.222 -7.412 159 1HG2 ILE 22 1HG2 ILE 22 2.284 -2.077 -10.983 160 2HG2 ILE 22 2HG2 ILE 22 2.955 -1.915 -9.361 161 3HG2 ILE 22 3HG2 ILE 22 2.383 -3.483 -9.927 162 1HD1 ILE 22 1HD1 ILE 22 2.905 -1.274 -7.486 163 2HD1 ILE 22 2HD1 ILE 22 1.996 -1.976 -6.146 164 3HD1 ILE 22 3HD1 ILE 22 2.505 -2.992 -7.495 165 H ASP 23 H ASP 23 -1.649 -2.690 -10.627 166 HA ASP 23 HA ASP 23 -2.384 -2.279 -13.255 167 1HB ASP 23 2HB ASP 23 -0.006 -3.154 -13.668 168 2HB ASP 23 1HB ASP 23 -0.601 -4.717 -13.112 169 H GLN 24 H GLN 24 -3.106 -3.116 -10.501 170 HA GLN 24 HA GLN 24 -5.281 -4.783 -11.048 171 1HB GLN 24 2HB GLN 24 -4.595 -6.766 -9.692 172 2HB GLN 24 1HB GLN 24 -3.710 -6.613 -11.203 173 1HG GLN 24 2HG GLN 24 -2.413 -5.311 -8.937 174 2HG GLN 24 1HG GLN 24 -2.608 -7.052 -8.753 175 1HE2 GLN 24 1HE2 GLN 24 -0.437 -4.886 -9.624 176 2HE2 GLN 24 2HE2 GLN 24 0.417 -5.738 -10.874 177 H TYR 25 H TYR 25 -5.994 -5.754 -8.710 178 HA TYR 25 HA TYR 25 -5.886 -3.411 -6.939 179 1HB TYR 25 2HB TYR 25 -7.801 -5.686 -6.539 180 2HB TYR 25 1HB TYR 25 -7.994 -3.978 -6.132 181 HD1 TYR 25 1HD TYR 25 -7.726 -2.444 -8.412 182 HD2 TYR 25 2HD TYR 25 -9.233 -6.418 -8.176 183 HE1 TYR 25 1HE TYR 25 -8.932 -2.110 -10.528 184 HE2 TYR 25 2HE TYR 25 -10.442 -6.091 -10.290 185 HH TYR 25 HH TYR 25 -10.054 -3.125 -12.183 186 H TRP 26 H TRP 26 -5.509 -3.680 -4.715 187 HA TRP 26 HA TRP 26 -4.234 -6.228 -3.984 188 1HB TRP 26 2HB TRP 26 -3.174 -3.460 -3.374 189 2HB TRP 26 1HB TRP 26 -2.458 -4.975 -2.841 190 HD1 TRP 26 HD TRP 26 -2.658 -2.645 -5.809 191 HE1 TRP 26 1HE TRP 26 -1.018 -3.456 -7.611 192 HE3 TRP 26 3HE TRP 26 -1.432 -7.158 -3.773 193 HZ2 TRP 26 2HZ TRP 26 0.589 -5.742 -8.112 194 HZ3 TRP 26 3HZ TRP 26 0.156 -8.607 -4.976 195 HH2 TRP 26 HH TRP 26 1.153 -7.908 -7.095 196 H HIS 27 H HIS 27 -3.365 -5.266 -1.503 197 HA HIS 27 HA HIS 27 -5.849 -4.614 -0.086 198 1HB HIS 27 2HB HIS 27 -4.058 -6.943 0.309 199 2HB HIS 27 1HB HIS 27 -4.587 -6.117 1.769 200 HD2 HIS 27 2HD HIS 27 -7.619 -5.674 1.445 201 HE1 HIS 27 1HE HIS 27 -7.840 -9.666 0.061 202 HE2 HIS 27 2HE HIS 27 -9.121 -7.776 1.177 203 H GLU 28 H GLU 28 -5.499 -3.519 1.917 204 HA GLU 28 HA GLU 28 -3.420 -1.610 1.844 205 1HB GLU 28 2HB GLU 28 -5.731 -2.235 3.491 206 2HB GLU 28 1HB GLU 28 -4.372 -1.695 4.466 207 1HG GLU 28 2HG GLU 28 -4.222 0.246 2.774 208 2HG GLU 28 1HG GLU 28 -5.864 -0.224 2.335 209 H ASP 29 H ASP 29 -3.841 -4.667 3.551 210 HA ASP 29 HA ASP 29 -1.218 -4.285 4.813 211 1HB ASP 29 2HB ASP 29 -3.310 -4.799 6.194 212 2HB ASP 29 1HB ASP 29 -3.211 -6.426 5.527 213 H CYS 30 H CYS 30 -2.290 -5.586 2.082 214 HA CYS 30 HA CYS 30 -0.751 -8.054 2.208 215 1HB CYS 30 2HB CYS 30 -2.758 -6.917 0.381 216 2HB CYS 30 1HB CYS 30 -1.426 -7.731 -0.429 217 H LEU 31 H LEU 31 -0.649 -4.846 0.815 218 HA LEU 31 HA LEU 31 1.956 -5.326 -0.386 219 1HB LEU 31 2HB LEU 31 0.087 -2.975 -0.353 220 2HB LEU 31 1HB LEU 31 1.716 -2.855 -0.987 221 HG LEU 31 HG LEU 31 -0.660 -4.238 -2.115 222 1HD1 LEU 31 1HD1 LEU 31 -0.150 -3.072 -4.005 223 2HD1 LEU 31 2HD1 LEU 31 0.558 -1.995 -2.800 224 3HD1 LEU 31 3HD1 LEU 31 1.587 -3.113 -3.695 225 1HD2 LEU 31 1HD2 LEU 31 1.061 -6.015 -1.728 226 2HD2 LEU 31 2HD2 LEU 31 0.627 -5.759 -3.418 227 3HD2 LEU 31 3HD2 LEU 31 2.142 -5.110 -2.789 228 H SER 32 H SER 32 3.358 -5.621 1.319 229 HA SER 32 HA SER 32 3.963 -3.262 2.898 230 1HB SER 32 2HB SER 32 4.432 -5.436 4.621 231 2HB SER 32 1HB SER 32 3.233 -4.160 4.796 232 HG SER 32 HG SER 32 1.900 -5.491 3.347 233 H CYS 33 H CYS 33 5.531 -6.181 3.756 234 HA CYS 33 HA CYS 33 8.070 -5.108 2.939 235 1HB CYS 33 2HB CYS 33 7.069 -7.166 4.763 236 2HB CYS 33 1HB CYS 33 8.546 -7.633 3.932 237 H ASP 34 H ASP 34 8.647 -5.326 0.853 238 HA ASP 34 HA ASP 34 7.918 -7.755 -0.606 239 1HB ASP 34 2HB ASP 34 7.652 -5.356 -1.513 240 2HB ASP 34 1HB ASP 34 9.393 -5.396 -1.747 241 H LEU 35 H LEU 35 10.771 -5.810 0.143 242 HA LEU 35 HA LEU 35 12.687 -7.412 -1.093 243 1HB LEU 35 2HB LEU 35 13.412 -5.293 -0.414 244 2HB LEU 35 1HB LEU 35 12.797 -5.498 1.217 245 HG LEU 35 HG LEU 35 14.745 -7.498 0.878 246 1HD1 LEU 35 1HD1 LEU 35 15.977 -4.873 0.151 247 2HD1 LEU 35 2HD1 LEU 35 16.649 -6.499 0.021 248 3HD1 LEU 35 3HD1 LEU 35 15.393 -5.972 -1.098 249 1HD2 LEU 35 1HD2 LEU 35 14.202 -5.184 2.546 250 2HD2 LEU 35 2HD2 LEU 35 14.883 -6.754 2.971 251 3HD2 LEU 35 3HD2 LEU 35 15.928 -5.482 2.339 252 H CYS 36 H CYS 36 11.510 -7.460 2.234 253 HA CYS 36 HA CYS 36 13.070 -9.700 3.019 254 1HB CYS 36 2HB CYS 36 10.534 -8.665 4.298 255 2HB CYS 36 1HB CYS 36 11.809 -9.609 5.066 256 H GLY 37 H GLY 37 9.794 -9.262 1.824 257 1HA GLY 37 1HA GLY 37 8.421 -10.724 0.719 258 2HA GLY 37 2HA GLY 37 9.773 -11.850 0.690 259 H CYS 38 H CYS 38 9.039 -10.892 3.841 260 HA CYS 38 HA CYS 38 8.242 -13.485 4.600 261 1HB CYS 38 2HB CYS 38 7.960 -10.893 6.125 262 2HB CYS 38 1HB CYS 38 7.850 -12.509 6.816 263 HG CYS 38 HG CYS 38 10.627 -12.803 5.494 264 H ARG 39 H ARG 39 6.340 -10.462 4.687 265 HA ARG 39 HA ARG 39 3.885 -11.925 4.926 266 1HB ARG 39 2HB ARG 39 4.647 -9.323 5.439 267 2HB ARG 39 1HB ARG 39 3.649 -9.161 3.999 268 1HG ARG 39 2HG ARG 39 2.614 -10.834 6.214 269 2HG ARG 39 1HG ARG 39 2.628 -9.083 6.434 270 1HD ARG 39 2HD ARG 39 1.543 -9.086 4.048 271 2HD ARG 39 1HD ARG 39 1.110 -10.742 4.470 272 HE ARG 39 HE ARG 39 0.109 -8.293 5.706 273 1HH1 ARG 39 2HH1 ARG 39 0.187 -11.799 5.651 274 2HH1 ARG 39 1HH1 ARG 39 -1.227 -11.969 6.646 275 1HH2 ARG 39 2HH2 ARG 39 -1.732 -8.519 7.045 276 2HH2 ARG 39 1HH2 ARG 39 -2.304 -10.115 7.445 277 H LEU 40 H LEU 40 4.856 -9.556 2.447 278 HA LEU 40 HA LEU 40 2.993 -10.102 0.592 279 1HB LEU 40 2HB LEU 40 5.838 -9.239 0.271 280 2HB LEU 40 1HB LEU 40 4.812 -9.451 -1.138 281 HG LEU 40 HG LEU 40 3.237 -7.802 -0.258 282 1HD1 LEU 40 1HD1 LEU 40 5.149 -7.774 2.047 283 2HD1 LEU 40 2HD1 LEU 40 4.037 -6.443 1.723 284 3HD1 LEU 40 3HD1 LEU 40 3.407 -8.056 2.064 285 1HD2 LEU 40 1HD2 LEU 40 4.408 -6.188 -1.239 286 2HD2 LEU 40 2HD2 LEU 40 5.593 -6.171 0.070 287 3HD2 LEU 40 3HD2 LEU 40 5.780 -7.298 -1.273 288 H GLY 41 H GLY 41 6.198 -11.662 0.458 289 1HA GLY 41 1HA GLY 41 6.652 -13.839 -0.388 290 2HA GLY 41 2HA GLY 41 4.995 -13.909 -1.000 291 H GLU 42 H GLU 42 8.199 -12.715 -1.515 292 HA GLU 42 HA GLU 42 7.508 -11.031 -3.699 293 1HB GLU 42 2HB GLU 42 10.023 -10.824 -3.935 294 2HB GLU 42 1HB GLU 42 9.341 -10.333 -2.391 295 1HG GLU 42 2HG GLU 42 10.922 -11.598 -1.483 296 2HG GLU 42 1HG GLU 42 9.921 -12.967 -1.960 297 H VAL 43 H VAL 43 7.643 -14.297 -3.678 298 HA VAL 43 HA VAL 43 9.029 -14.511 -6.234 299 HB VAL 43 HB VAL 43 8.584 -17.014 -5.899 300 1HG1 VAL 43 1HG1 VAL 43 10.425 -17.026 -4.044 301 2HG1 VAL 43 2HG1 VAL 43 10.779 -16.404 -5.654 302 3HG1 VAL 43 3HG1 VAL 43 10.439 -15.287 -4.333 303 1HG2 VAL 43 1HG2 VAL 43 7.267 -17.575 -4.199 304 2HG2 VAL 43 2HG2 VAL 43 8.569 -17.077 -3.120 305 3HG2 VAL 43 3HG2 VAL 43 7.296 -15.936 -3.548 306 H GLY 44 H GLY 44 6.029 -13.590 -5.578 307 1HA GLY 44 1HA GLY 44 5.072 -13.757 -8.050 308 2HA GLY 44 2HA GLY 44 4.685 -15.364 -7.475 309 H ARG 45 H ARG 45 4.388 -13.055 -4.958 310 HA ARG 45 HA ARG 45 1.484 -13.130 -5.424 311 1HB ARG 45 2HB ARG 45 2.986 -12.861 -2.823 312 2HB ARG 45 1HB ARG 45 1.242 -12.805 -2.984 313 1HG ARG 45 2HG ARG 45 1.249 -15.101 -3.816 314 2HG ARG 45 1HG ARG 45 3.006 -15.157 -3.619 315 1HD ARG 45 2HD ARG 45 1.993 -16.165 -1.685 316 2HD ARG 45 1HD ARG 45 2.698 -14.612 -1.221 317 HE ARG 45 HE ARG 45 0.176 -13.915 -1.759 318 1HH1 ARG 45 2HH1 ARG 45 1.464 -16.568 0.136 319 2HH1 ARG 45 1HH1 ARG 45 0.121 -16.591 1.246 320 1HH2 ARG 45 2HH2 ARG 45 -1.574 -13.932 -0.290 321 2HH2 ARG 45 1HH2 ARG 45 -1.587 -15.080 1.015 322 H ARG 46 H ARG 46 2.855 -11.156 -2.979 323 HA ARG 46 HA ARG 46 1.565 -8.835 -4.197 324 1HB ARG 46 2HB ARG 46 2.586 -8.733 -1.409 325 2HB ARG 46 1HB ARG 46 1.053 -8.173 -2.066 326 1HG ARG 46 2HG ARG 46 0.229 -10.469 -2.126 327 2HG ARG 46 1HG ARG 46 1.773 -11.053 -1.506 328 1HD ARG 46 2HD ARG 46 0.979 -9.088 0.294 329 2HD ARG 46 1HD ARG 46 -0.502 -9.963 -0.091 330 HE ARG 46 HE ARG 46 1.944 -11.338 0.807 331 1HH1 ARG 46 2HH1 ARG 46 -1.483 -10.691 1.126 332 2HH1 ARG 46 1HH1 ARG 46 -1.755 -12.020 2.220 333 1HH2 ARG 46 2HH2 ARG 46 1.606 -13.038 2.289 334 2HH2 ARG 46 1HH2 ARG 46 -0.001 -13.362 2.878 335 H LEU 47 H LEU 47 2.618 -6.664 -3.948 336 HA LEU 47 HA LEU 47 5.485 -6.735 -3.555 337 1HB LEU 47 2HB LEU 47 5.669 -5.387 -5.804 338 2HB LEU 47 1HB LEU 47 5.819 -7.128 -5.737 339 HG LEU 47 HG LEU 47 3.258 -7.094 -6.281 340 1HD1 LEU 47 1HD1 LEU 47 3.609 -4.414 -6.122 341 2HD1 LEU 47 2HD1 LEU 47 3.836 -4.679 -7.851 342 3HD1 LEU 47 3HD1 LEU 47 2.342 -5.195 -7.067 343 1HD2 LEU 47 1HD2 LEU 47 4.357 -8.089 -7.971 344 2HD2 LEU 47 2HD2 LEU 47 4.178 -6.534 -8.784 345 3HD2 LEU 47 3HD2 LEU 47 5.675 -6.917 -7.931 346 H TYR 48 H TYR 48 6.449 -4.902 -3.126 347 HA TYR 48 HA TYR 48 4.989 -2.361 -3.327 348 1HB TYR 48 2HB TYR 48 5.700 -3.500 -0.855 349 2HB TYR 48 1HB TYR 48 6.988 -2.354 -1.197 350 HD1 TYR 48 1HD TYR 48 3.269 -2.561 -1.150 351 HD2 TYR 48 2HD TYR 48 6.704 -0.117 -0.530 352 HE1 TYR 48 1HE TYR 48 1.834 -0.770 -0.275 353 HE2 TYR 48 2HE TYR 48 5.271 1.672 0.348 354 HH TYR 48 HH TYR 48 2.814 2.375 0.103 355 H TYR 49 H TYR 49 6.114 -1.952 -5.244 356 HA TYR 49 HA TYR 49 9.021 -2.252 -5.027 357 1HB TYR 49 2HB TYR 49 9.026 -3.573 -6.858 358 2HB TYR 49 1HB TYR 49 7.367 -3.866 -6.354 359 HD1 TYR 49 1HD TYR 49 9.463 -2.941 -9.010 360 HD2 TYR 49 2HD TYR 49 5.564 -2.292 -7.440 361 HE1 TYR 49 1HE TYR 49 8.687 -2.208 -11.238 362 HE2 TYR 49 2HE TYR 49 4.783 -1.547 -9.649 363 HH TYR 49 HH TYR 49 6.225 -2.152 -12.421 364 H LYS 50 H LYS 50 10.431 -0.990 -6.148 365 HA LYS 50 HA LYS 50 9.366 1.523 -7.183 366 1HB LYS 50 2HB LYS 50 12.079 1.821 -7.187 367 2HB LYS 50 1HB LYS 50 10.999 2.378 -5.922 368 1HG LYS 50 2HG LYS 50 11.723 0.877 -4.470 369 2HG LYS 50 1HG LYS 50 11.797 -0.386 -5.700 370 1HD LYS 50 2HD LYS 50 14.036 0.034 -4.948 371 2HD LYS 50 1HD LYS 50 13.875 0.701 -6.574 372 1HE LYS 50 2HE LYS 50 13.449 2.926 -5.554 373 2HE LYS 50 1HE LYS 50 13.777 2.221 -3.971 374 1HZ LYS 50 1HZ LYS 50 16.000 1.918 -4.474 375 2HZ LYS 50 2HZ LYS 50 15.664 3.416 -5.194 376 3HZ LYS 50 3HZ LYS 50 15.760 2.016 -6.150 377 H LEU 51 H LEU 51 10.781 2.394 -9.060 378 HA LEU 51 HA LEU 51 10.243 1.527 -11.401 379 1HB LEU 51 2HB LEU 51 13.016 1.815 -11.749 380 2HB LEU 51 1HB LEU 51 11.759 3.009 -12.004 381 HG LEU 51 HG LEU 51 12.069 3.284 -9.351 382 1HD1 LEU 51 1HD1 LEU 51 14.623 3.301 -9.050 383 2HD1 LEU 51 2HD1 LEU 51 13.773 1.760 -8.918 384 3HD1 LEU 51 3HD1 LEU 51 14.642 2.165 -10.397 385 1HD2 LEU 51 1HD2 LEU 51 13.173 5.283 -9.826 386 2HD2 LEU 51 2HD2 LEU 51 14.017 4.595 -11.214 387 3HD2 LEU 51 3HD2 LEU 51 12.288 4.925 -11.311 388 H GLY 52 H GLY 52 13.203 0.109 -10.018 389 1HA GLY 52 1HA GLY 52 12.628 -2.304 -11.626 390 2HA GLY 52 2HA GLY 52 14.236 -1.609 -11.537 391 H ARG 53 H ARG 53 12.486 -1.516 -8.587 392 HA ARG 53 HA ARG 53 13.765 -4.006 -7.704 393 1HB ARG 53 2HB ARG 53 13.859 -1.431 -6.131 394 2HB ARG 53 1HB ARG 53 14.587 -2.966 -5.681 395 1HG ARG 53 2HG ARG 53 15.701 -2.501 -8.121 396 2HG ARG 53 1HG ARG 53 15.564 -0.877 -7.460 397 1HD ARG 53 2HD ARG 53 17.366 -1.244 -6.219 398 2HD ARG 53 1HD ARG 53 16.499 -2.533 -5.377 399 HE ARG 53 HE ARG 53 17.597 -3.327 -7.910 400 1HH1 ARG 53 2HH1 ARG 53 18.319 -2.892 -4.503 401 2HH1 ARG 53 1HH1 ARG 53 19.541 -4.128 -4.471 402 1HH2 ARG 53 2HH2 ARG 53 19.200 -4.961 -7.868 403 2HH2 ARG 53 1HH2 ARG 53 20.037 -5.313 -6.380 404 H LYS 54 H LYS 54 12.222 -5.275 -6.973 405 HA LYS 54 HA LYS 54 9.791 -4.279 -5.763 406 1HB LYS 54 2HB LYS 54 10.973 -6.979 -6.342 407 2HB LYS 54 1HB LYS 54 9.645 -6.847 -5.202 408 1HG LYS 54 2HG LYS 54 8.284 -5.784 -6.961 409 2HG LYS 54 1HG LYS 54 9.616 -6.026 -8.095 410 1HD LYS 54 2HD LYS 54 8.254 -7.869 -8.492 411 2HD LYS 54 1HD LYS 54 9.471 -8.505 -7.383 412 1HE LYS 54 2HE LYS 54 7.100 -7.336 -6.097 413 2HE LYS 54 1HE LYS 54 6.789 -8.785 -7.053 414 1HZ LYS 54 1HZ LYS 54 8.992 -9.469 -5.656 415 2HZ LYS 54 2HZ LYS 54 7.401 -9.850 -5.212 416 3HZ LYS 54 3HZ LYS 54 8.169 -8.492 -4.535 417 H LEU 55 H LEU 55 10.340 -3.208 -3.810 418 HA LEU 55 HA LEU 55 11.204 -4.931 -1.656 419 1HB LEU 55 2HB LEU 55 13.302 -4.225 -1.319 420 2HB LEU 55 1HB LEU 55 13.227 -3.807 -3.016 421 HG LEU 55 HG LEU 55 12.666 -1.847 -0.792 422 1HD1 LEU 55 1HD1 LEU 55 14.857 -1.738 -0.437 423 2HD1 LEU 55 2HD1 LEU 55 15.152 -2.959 -1.675 424 3HD1 LEU 55 3HD1 LEU 55 15.075 -1.254 -2.120 425 1HD2 LEU 55 1HD2 LEU 55 11.805 -1.538 -3.213 426 2HD2 LEU 55 2HD2 LEU 55 12.643 -0.204 -2.420 427 3HD2 LEU 55 3HD2 LEU 55 13.496 -1.209 -3.590 428 H CYS 56 H CYS 56 11.020 -4.038 0.443 429 HA CYS 56 HA CYS 56 8.671 -2.555 0.765 430 1HB CYS 56 2HB CYS 56 10.202 -2.487 3.153 431 2HB CYS 56 1HB CYS 56 8.871 -3.573 2.739 432 H ARG 57 H ARG 57 8.309 -0.475 1.519 433 HA ARG 57 HA ARG 57 10.154 1.391 0.455 434 1HB ARG 57 2HB ARG 57 7.470 1.393 0.822 435 2HB ARG 57 1HB ARG 57 7.979 2.459 2.123 436 1HG ARG 57 2HG ARG 57 7.447 3.293 -0.370 437 2HG ARG 57 1HG ARG 57 8.561 4.115 0.721 438 1HD ARG 57 2HD ARG 57 9.489 3.801 -1.546 439 2HD ARG 57 1HD ARG 57 10.446 3.012 -0.295 440 HE ARG 57 HE ARG 57 9.337 0.903 -1.006 441 1HH1 ARG 57 2HH1 ARG 57 9.688 3.603 -3.203 442 2HH1 ARG 57 1HH1 ARG 57 9.474 2.632 -4.634 443 1HH2 ARG 57 2HH2 ARG 57 9.147 -0.400 -2.855 444 2HH2 ARG 57 1HH2 ARG 57 9.203 0.340 -4.428 445 H ARG 58 H ARG 58 8.913 1.034 3.765 446 HA ARG 58 HA ARG 58 10.669 2.900 4.897 447 1HB ARG 58 2HB ARG 58 9.154 0.567 6.082 448 2HB ARG 58 1HB ARG 58 10.091 1.689 7.058 449 1HG ARG 58 2HG ARG 58 7.960 2.554 7.216 450 2HG ARG 58 1HG ARG 58 8.670 3.502 5.911 451 1HD ARG 58 2HD ARG 58 6.381 2.781 5.398 452 2HD ARG 58 1HD ARG 58 7.570 2.164 4.254 453 HE ARG 58 HE ARG 58 7.432 0.051 5.703 454 1HH1 ARG 58 2HH1 ARG 58 4.737 2.233 5.088 455 2HH1 ARG 58 1HH1 ARG 58 3.531 0.990 5.287 456 1HH2 ARG 58 2HH2 ARG 58 5.849 -1.577 5.918 457 2HH2 ARG 58 1HH2 ARG 58 4.160 -1.180 5.758 458 H ASP 59 H ASP 59 11.057 -0.407 3.991 459 HA ASP 59 HA ASP 59 13.468 -0.786 5.521 460 1HB ASP 59 2HB ASP 59 12.243 -2.493 3.330 461 2HB ASP 59 1HB ASP 59 13.601 -2.965 4.345 462 H TYR 60 H TYR 60 12.545 -0.079 2.203 463 HA TYR 60 HA TYR 60 15.107 -0.139 1.041 464 1HB TYR 60 2HB TYR 60 13.795 0.183 -0.741 465 2HB TYR 60 1HB TYR 60 12.456 0.689 0.276 466 HD1 TYR 60 1HD TYR 60 11.958 3.037 0.601 467 HD2 TYR 60 2HD TYR 60 15.280 1.831 -1.772 468 HE1 TYR 60 1HE TYR 60 12.115 5.307 -0.325 469 HE2 TYR 60 2HE TYR 60 15.453 4.106 -2.691 470 HH TYR 60 HH TYR 60 13.476 6.124 -2.960 471 H LEU 61 H LEU 61 13.404 2.307 2.905 472 HA LEU 61 HA LEU 61 15.302 4.340 2.276 473 1HB LEU 61 2HB LEU 61 12.783 4.249 3.423 474 2HB LEU 61 1HB LEU 61 13.823 4.789 4.732 475 HG LEU 61 HG LEU 61 14.018 6.841 3.860 476 1HD1 LEU 61 1HD1 LEU 61 14.101 6.070 0.992 477 2HD1 LEU 61 2HD1 LEU 61 14.992 7.324 1.858 478 3HD1 LEU 61 3HD1 LEU 61 15.469 5.633 2.019 479 1HD2 LEU 61 1HD2 LEU 61 12.230 7.578 2.446 480 2HD2 LEU 61 2HD2 LEU 61 11.970 5.939 1.843 481 3HD2 LEU 61 3HD2 LEU 61 11.605 6.330 3.525 482 H ARG 62 H ARG 62 15.479 1.663 4.306 483 HA ARG 62 HA ARG 62 17.558 3.000 5.901 484 1HB ARG 62 2HB ARG 62 15.553 0.993 6.570 485 2HB ARG 62 1HB ARG 62 17.172 0.543 7.084 486 1HG ARG 62 2HG ARG 62 15.764 3.116 7.764 487 2HG ARG 62 1HG ARG 62 15.965 1.731 8.837 488 1HD ARG 62 2HD ARG 62 17.715 3.023 9.533 489 2HD ARG 62 1HD ARG 62 18.515 2.089 8.270 490 HE ARG 62 HE ARG 62 17.431 4.786 7.754 491 1HH1 ARG 62 2HH1 ARG 62 20.072 2.481 7.690 492 2HH1 ARG 62 1HH1 ARG 62 21.112 3.514 6.754 493 1HH2 ARG 62 2HH2 ARG 62 18.795 6.150 6.523 494 2HH2 ARG 62 1HH2 ARG 62 20.386 5.596 6.095 495 H LEU 63 H LEU 63 16.869 -0.117 4.283 496 HA LEU 63 HA LEU 63 19.629 -0.894 4.362 497 1HB LEU 63 2HB LEU 63 18.920 -2.911 3.683 498 2HB LEU 63 1HB LEU 63 17.331 -2.288 4.071 499 HG LEU 63 HG LEU 63 17.938 -1.559 1.382 500 1HD1 LEU 63 1HD1 LEU 63 17.944 -4.517 1.561 501 2HD1 LEU 63 2HD1 LEU 63 18.620 -3.453 0.329 502 3HD1 LEU 63 3HD1 LEU 63 19.463 -3.674 1.861 503 1HD2 LEU 63 1HD2 LEU 63 15.704 -1.746 1.899 504 2HD2 LEU 63 2HD2 LEU 63 15.994 -3.264 1.050 505 3HD2 LEU 63 3HD2 LEU 63 15.930 -3.238 2.813 506 H GLY 64 H GLY 64 17.467 0.516 1.959 507 1HA GLY 64 1HA GLY 64 19.572 0.669 -0.045 508 2HA GLY 64 2HA GLY 64 17.932 1.288 -0.199 509 H GLY 65 H GLY 65 18.342 2.473 2.563 510 1HA GLY 65 1HA GLY 65 19.411 5.038 1.731 511 2HA GLY 65 2HA GLY 65 18.713 4.649 3.295 512 H SER 66 H SER 66 21.308 2.996 1.585 513 HA SER 66 HA SER 66 22.798 2.606 3.919 514 1HB SER 66 2HB SER 66 24.251 2.348 1.374 515 2HB SER 66 1HB SER 66 23.959 1.152 2.639 516 HG SER 66 HG SER 66 21.909 0.794 1.806 517 H GLY 67 H GLY 67 22.457 5.481 2.503 518 1HA GLY 67 1HA GLY 67 25.209 6.394 2.529 519 2HA GLY 67 2HA GLY 67 23.775 7.395 2.331 520 H GLY 68 H GLY 68 23.532 5.272 4.943 521 1HA GLY 68 1HA GLY 68 23.665 5.526 7.219 522 2HA GLY 68 2HA GLY 68 24.890 6.762 6.951 523 H HIS 69 H HIS 69 24.371 8.802 7.332 524 HA HIS 69 HA HIS 69 21.542 9.547 7.226 525 1HB HIS 69 2HB HIS 69 22.859 11.248 9.107 526 2HB HIS 69 1HB HIS 69 21.426 10.260 9.328 527 HD2 HIS 69 2HD HIS 69 21.732 8.070 10.907 528 HE1 HIS 69 1HE HIS 69 25.917 8.424 11.423 529 HE2 HIS 69 2HE HIS 69 23.849 7.094 12.047 530 H MET 70 H MET 70 21.134 11.504 6.414 531 HA MET 70 HA MET 70 23.414 12.976 5.265 532 1HB MET 70 2HB MET 70 22.270 13.144 3.297 533 2HB MET 70 1HB MET 70 21.399 11.757 3.933 534 1HG MET 70 2HG MET 70 19.504 12.847 4.054 535 2HG MET 70 1HG MET 70 20.253 14.205 4.880 536 1HE MET 70 1HE MET 70 18.676 14.097 0.703 537 2HE MET 70 2HE MET 70 19.049 12.639 1.622 538 3HE MET 70 3HE MET 70 17.893 13.811 2.256 539 H GLY 71 H GLY 71 20.424 12.985 6.925 540 1HA GLY 71 1HA GLY 71 20.333 14.813 8.736 541 2HA GLY 71 2HA GLY 71 20.541 15.894 7.362 542 H SER 72 H SER 72 18.719 12.913 7.409 543 HA SER 72 HA SER 72 16.306 14.454 6.746 544 1HB SER 72 2HB SER 72 16.074 11.699 6.033 545 2HB SER 72 1HB SER 72 16.139 13.106 4.971 546 HG SER 72 HG SER 72 18.015 11.218 5.426 547 H GLY 73 H GLY 73 14.562 12.185 6.952 548 1HA GLY 73 1HA GLY 73 14.140 12.247 9.820 549 2HA GLY 73 2HA GLY 73 13.048 11.580 8.617 550 H GLY 74 H GLY 74 13.275 9.445 7.968 551 1HA GLY 74 1HA GLY 74 14.005 7.242 8.097 552 2HA GLY 74 2HA GLY 74 15.360 7.776 9.085 553 H ASP 75 H ASP 75 15.261 7.550 11.226 554 HA ASP 75 HA ASP 75 12.667 6.783 12.402 555 1HB ASP 75 2HB ASP 75 14.194 4.942 12.668 556 2HB ASP 75 1HB ASP 75 15.467 6.014 13.246 557 H VAL 76 H VAL 76 11.928 8.748 12.925 558 HA VAL 76 HA VAL 76 13.516 10.341 14.827 559 HB VAL 76 HB VAL 76 12.027 11.243 12.373 560 1HG1 VAL 76 1HG1 VAL 76 11.644 12.482 14.808 561 2HG1 VAL 76 2HG1 VAL 76 12.926 13.431 14.055 562 3HG1 VAL 76 3HG1 VAL 76 11.390 13.202 13.218 563 1HG2 VAL 76 1HG2 VAL 76 14.718 10.935 13.030 564 2HG2 VAL 76 2HG2 VAL 76 14.046 11.736 11.608 565 3HG2 VAL 76 3HG2 VAL 76 14.426 12.673 13.053 566 H MET 77 H MET 77 12.422 11.037 16.595 567 HA MET 77 HA MET 77 9.890 9.911 17.176 568 1HB MET 77 2HB MET 77 11.426 12.077 18.612 569 2HB MET 77 1HB MET 77 10.030 11.221 19.259 570 1HG MET 77 2HG MET 77 11.368 9.098 18.884 571 2HG MET 77 1HG MET 77 12.751 10.153 18.651 572 1HE MET 77 1HE MET 77 13.927 11.436 20.304 573 2HE MET 77 2HE MET 77 13.972 10.979 22.007 574 3HE MET 77 3HE MET 77 14.380 9.794 20.766 575 H VAL 78 H VAL 78 8.253 10.581 15.899 576 HA VAL 78 HA VAL 78 7.757 13.481 15.723 577 HB VAL 78 HB VAL 78 6.231 12.802 13.771 578 1HG1 VAL 78 1HG1 VAL 78 9.119 12.289 13.173 579 2HG1 VAL 78 2HG1 VAL 78 7.927 13.194 12.240 580 3HG1 VAL 78 3HG1 VAL 78 8.583 13.875 13.729 581 1HG2 VAL 78 1HG2 VAL 78 7.984 10.350 13.773 582 2HG2 VAL 78 2HG2 VAL 78 6.305 10.365 14.309 583 3HG2 VAL 78 3HG2 VAL 78 6.699 10.749 12.634 584 H VAL 79 H VAL 79 5.218 13.724 15.149 585 HA VAL 79 HA VAL 79 3.908 12.874 17.558 586 HB VAL 79 HB VAL 79 3.656 15.151 16.451 587 1HG1 VAL 79 1HG1 VAL 79 2.521 13.484 14.379 588 2HG1 VAL 79 2HG1 VAL 79 1.394 14.733 14.905 589 3HG1 VAL 79 3HG1 VAL 79 3.000 15.177 14.328 590 1HG2 VAL 79 1HG2 VAL 79 1.410 13.481 17.475 591 2HG2 VAL 79 2HG2 VAL 79 2.242 14.839 18.233 592 3HG2 VAL 79 3HG2 VAL 79 1.095 15.128 16.927 593 H GLY 80 H GLY 80 4.242 11.560 14.463 594 1HA GLY 80 1HA GLY 80 2.908 9.227 14.990 595 2HA GLY 80 2HA GLY 80 1.699 10.263 14.244 596 H GLU 81 H GLU 81 2.467 11.342 12.161 597 HA GLU 81 HA GLU 81 3.685 9.244 10.511 598 1HB GLU 81 2HB GLU 81 2.473 11.723 9.351 599 2HB GLU 81 1HB GLU 81 2.541 10.099 8.685 600 1HG GLU 81 2HG GLU 81 0.798 10.954 10.983 601 2HG GLU 81 1HG GLU 81 0.271 10.781 9.310 602 HA PRO 82 HA PRO 82 7.352 11.667 10.028 603 1HB PRO 82 2HB PRO 82 7.900 10.398 7.490 604 2HB PRO 82 1HB PRO 82 8.692 10.142 9.045 605 1HG PRO 82 2HG PRO 82 7.120 8.266 7.820 606 2HG PRO 82 1HG PRO 82 7.358 8.357 9.575 607 1HD PRO 82 2HD PRO 82 5.055 9.312 7.919 608 2HD PRO 82 1HD PRO 82 5.052 8.533 9.517 609 H THR 83 H THR 83 8.094 13.425 8.902 610 HA THR 83 HA THR 83 6.316 14.444 6.801 611 HB THR 83 HB THR 83 7.730 16.615 7.742 612 HG1 THR 83 1HG THR 83 6.916 15.226 10.075 613 1HG2 THR 83 1HG2 THR 83 5.372 16.672 7.328 614 2HG2 THR 83 2HG2 THR 83 5.630 17.120 9.016 615 3HG2 THR 83 3HG2 THR 83 5.069 15.498 8.608 616 H LEU 84 H LEU 84 7.414 16.000 5.271 617 HA LEU 84 HA LEU 84 9.711 14.757 4.107 618 1HB LEU 84 2HB LEU 84 8.576 17.487 3.474 619 2HB LEU 84 1HB LEU 84 9.599 16.504 2.443 620 HG LEU 84 HG LEU 84 6.930 15.455 3.298 621 1HD1 LEU 84 1HD1 LEU 84 7.132 16.981 0.757 622 2HD1 LEU 84 2HD1 LEU 84 5.735 16.674 1.790 623 3HD1 LEU 84 3HD1 LEU 84 6.926 17.884 2.259 624 1HD2 LEU 84 1HD2 LEU 84 7.676 13.786 2.032 625 2HD2 LEU 84 2HD2 LEU 84 7.445 14.854 0.647 626 3HD2 LEU 84 3HD2 LEU 84 9.025 14.749 1.425 627 H MET 85 H MET 85 11.469 14.817 5.397 628 HA MET 85 HA MET 85 12.309 17.423 6.465 629 1HB MET 85 2HB MET 85 11.897 14.962 7.726 630 2HB MET 85 1HB MET 85 13.644 15.126 7.629 631 1HG MET 85 2HG MET 85 13.675 16.626 9.259 632 2HG MET 85 1HG MET 85 12.414 17.588 8.491 633 1HE MET 85 1HE MET 85 11.749 14.123 11.440 634 2HE MET 85 2HE MET 85 11.881 13.747 9.723 635 3HE MET 85 3HE MET 85 13.237 14.493 10.565 636 H GLY 86 H GLY 86 12.915 16.608 3.788 637 1HA GLY 86 1HA GLY 86 14.945 17.191 2.624 638 2HA GLY 86 2HA GLY 86 15.858 16.538 3.980 639 H GLY 87 H GLY 87 14.361 14.174 4.298 640 1HA GLY 87 1HA GLY 87 14.006 12.680 1.958 641 2HA GLY 87 2HA GLY 87 15.655 12.425 2.519 642 H GLU 88 H GLU 88 14.917 10.201 2.757 643 HA GLU 88 HA GLU 88 14.009 8.428 3.864 644 1HB GLU 88 2HB GLU 88 15.516 10.108 5.835 645 2HB GLU 88 1HB GLU 88 14.929 8.504 6.224 646 1HG GLU 88 2HG GLU 88 16.286 7.497 4.570 647 2HG GLU 88 1HG GLU 88 16.704 9.061 3.877 648 H PHE 89 H PHE 89 11.767 8.898 3.626 649 HA PHE 89 HA PHE 89 10.445 9.927 6.030 650 1HB PHE 89 2HB PHE 89 8.831 9.169 3.663 651 2HB PHE 89 1HB PHE 89 8.712 10.587 4.702 652 HD1 PHE 89 1HD PHE 89 10.192 9.181 1.692 653 HD2 PHE 89 2HD PHE 89 10.090 12.559 4.279 654 HE1 PHE 89 1HE PHE 89 11.317 10.531 -0.031 655 HE2 PHE 89 2HE PHE 89 11.214 13.912 2.558 656 HZ PHE 89 HZ PHE 89 11.831 12.893 0.404 657 H GLY 90 H GLY 90 7.994 8.392 5.165 658 1HA GLY 90 1HA GLY 90 8.738 5.835 6.398 659 2HA GLY 90 2HA GLY 90 7.098 6.440 6.170 660 H ASP 91 H ASP 91 6.163 6.360 4.082 661 HA ASP 91 HA ASP 91 7.613 4.723 2.154 662 1HB ASP 91 2HB ASP 91 5.158 3.985 1.519 663 2HB ASP 91 1HB ASP 91 6.046 3.180 2.802 664 H GLU 92 H GLU 92 4.564 5.462 1.096 665 HA GLU 92 HA GLU 92 3.672 6.900 -0.422 666 1HB GLU 92 2HB GLU 92 5.539 8.742 1.035 667 2HB GLU 92 1HB GLU 92 4.519 9.311 -0.280 668 1HG GLU 92 2HG GLU 92 2.550 8.886 0.912 669 2HG GLU 92 1HG GLU 92 3.380 7.858 2.079 670 H ASP 93 H ASP 93 6.831 6.002 -0.541 671 HA ASP 93 HA ASP 93 7.569 7.482 -2.920 672 1HB ASP 93 2HB ASP 93 9.241 7.215 -1.187 673 2HB ASP 93 1HB ASP 93 9.052 5.467 -1.219 674 H GLU 94 H GLU 94 6.000 4.608 -2.197 675 HA GLU 94 HA GLU 94 6.904 2.761 -4.049 676 1HB GLU 94 2HB GLU 94 4.504 1.940 -4.053 677 2HB GLU 94 1HB GLU 94 5.283 2.062 -2.479 678 1HG GLU 94 2HG GLU 94 3.777 4.437 -3.365 679 2HG GLU 94 1HG GLU 94 2.826 2.997 -3.006 680 H ARG 95 H ARG 95 6.526 2.334 -6.163 681 HA ARG 95 HA ARG 95 6.465 4.437 -7.901 682 1HB ARG 95 2HB ARG 95 7.081 1.873 -8.182 683 2HB ARG 95 1HB ARG 95 5.476 1.810 -8.901 684 1HG ARG 95 2HG ARG 95 6.066 3.304 -10.614 685 2HG ARG 95 1HG ARG 95 7.547 3.791 -9.790 686 1HD ARG 95 2HD ARG 95 8.559 2.311 -11.133 687 2HD ARG 95 1HD ARG 95 7.894 1.091 -10.048 688 HE ARG 95 HE ARG 95 6.479 0.423 -11.713 689 1HH1 ARG 95 2HH1 ARG 95 7.858 3.533 -12.573 690 2HH1 ARG 95 1HH1 ARG 95 7.071 3.596 -14.125 691 1HH2 ARG 95 2HH2 ARG 95 5.467 0.489 -13.762 692 2HH2 ARG 95 1HH2 ARG 95 5.706 1.868 -14.797 693 H LEU 96 H LEU 96 3.882 2.003 -8.137 694 HA LEU 96 HA LEU 96 1.996 4.224 -8.561 695 1HB LEU 96 2HB LEU 96 1.368 1.783 -10.032 696 2HB LEU 96 1HB LEU 96 1.367 3.452 -10.571 697 HG LEU 96 HG LEU 96 4.073 2.590 -10.240 698 1HD1 LEU 96 1HD1 LEU 96 2.382 0.473 -10.986 699 2HD1 LEU 96 2HD1 LEU 96 3.223 0.990 -12.447 700 3HD1 LEU 96 3HD1 LEU 96 4.143 0.518 -11.018 701 1HD2 LEU 96 1HD2 LEU 96 3.184 2.870 -12.970 702 2HD2 LEU 96 2HD2 LEU 96 2.530 4.153 -11.952 703 3HD2 LEU 96 3HD2 LEU 96 4.272 3.892 -12.030 704 H ILE 97 H ILE 97 1.226 3.987 -6.418 705 HA ILE 97 HA ILE 97 -0.967 2.168 -6.341 706 HB ILE 97 HB ILE 97 0.019 1.768 -3.754 707 1HG1 ILE 97 2HG1 ILE 97 2.023 0.878 -5.838 708 2HG1 ILE 97 1HG1 ILE 97 2.295 2.151 -4.654 709 1HG2 ILE 97 1HG2 ILE 97 -1.389 0.401 -5.603 710 2HG2 ILE 97 2HG2 ILE 97 0.126 -0.503 -5.613 711 3HG2 ILE 97 3HG2 ILE 97 -0.771 -0.301 -4.105 712 1HD1 ILE 97 1HD1 ILE 97 3.372 0.295 -3.764 713 2HD1 ILE 97 2HD1 ILE 97 1.836 0.345 -2.898 714 3HD1 ILE 97 3HD1 ILE 97 2.067 -0.800 -4.219 715 H THR 98 H THR 98 -2.592 3.219 -5.520 716 HA THR 98 HA THR 98 -2.102 5.455 -3.714 717 HB THR 98 HB THR 98 -4.642 5.776 -4.687 718 HG1 THR 98 1HG THR 98 -3.179 5.145 -7.010 719 1HG2 THR 98 1HG2 THR 98 -3.673 7.511 -6.110 720 2HG2 THR 98 2HG2 THR 98 -2.085 6.767 -5.923 721 3HG2 THR 98 3HG2 THR 98 -2.892 7.487 -4.529 722 H ARG 99 H ARG 99 -3.180 5.517 -1.815 723 HA ARG 99 HA ARG 99 -4.548 3.163 -0.875 724 1HB ARG 99 2HB ARG 99 -4.180 5.916 0.317 725 2HB ARG 99 1HB ARG 99 -4.989 4.592 1.143 726 1HG ARG 99 2HG ARG 99 -2.188 4.317 0.128 727 2HG ARG 99 1HG ARG 99 -2.535 5.050 1.695 728 1HD ARG 99 2HD ARG 99 -3.460 2.305 0.854 729 2HD ARG 99 1HD ARG 99 -2.004 2.617 1.800 730 HE ARG 99 HE ARG 99 -4.687 2.553 2.757 731 1HH1 ARG 99 2HH1 ARG 99 -1.574 4.097 3.274 732 2HH1 ARG 99 1HH1 ARG 99 -1.912 4.469 4.941 733 1HH2 ARG 99 2HH2 ARG 99 -5.099 2.997 4.922 734 2HH2 ARG 99 1HH2 ARG 99 -3.912 3.836 5.874 735 H LEU 100 H LEU 100 -6.295 2.869 -2.149 736 HA LEU 100 HA LEU 100 -7.994 5.156 -2.715 737 1HB LEU 100 2HB LEU 100 -6.974 3.190 -4.288 738 2HB LEU 100 1HB LEU 100 -8.589 2.576 -3.991 739 HG LEU 100 HG LEU 100 -8.790 5.334 -4.681 740 1HD1 LEU 100 1HD1 LEU 100 -6.542 4.950 -5.693 741 2HD1 LEU 100 2HD1 LEU 100 -7.281 3.731 -6.733 742 3HD1 LEU 100 3HD1 LEU 100 -7.794 5.415 -6.846 743 1HD2 LEU 100 1HD2 LEU 100 -9.500 3.277 -6.667 744 2HD2 LEU 100 2HD2 LEU 100 -10.212 3.073 -5.065 745 3HD2 LEU 100 3HD2 LEU 100 -10.480 4.565 -5.967 746 H GLU 101 H GLU 101 -10.325 4.478 -3.171 747 HA GLU 101 HA GLU 101 -11.410 3.338 -0.707 748 1HB GLU 101 2HB GLU 101 -13.014 4.618 -2.912 749 2HB GLU 101 1HB GLU 101 -13.425 4.461 -1.209 750 1HG GLU 101 2HG GLU 101 -11.588 6.037 -0.673 751 2HG GLU 101 1HG GLU 101 -11.332 6.267 -2.401 752 H ASN 102 H ASN 102 -12.283 1.380 -0.672 753 HA ASN 102 HA ASN 102 -11.731 -0.521 -2.513 754 1HB ASN 102 2HB ASN 102 -12.790 -0.645 -0.082 755 2HB ASN 102 1HB ASN 102 -14.273 -0.904 -1.004 756 1HD2 ASN 102 1HD2 ASN 102 -14.707 -3.000 -0.897 757 2HD2 ASN 102 2HD2 ASN 102 -13.572 -4.278 -1.226 758 H THR 103 H THR 103 -15.130 0.499 -2.063 759 HA THR 103 HA THR 103 -15.409 0.476 -4.977 760 HB THR 103 HB THR 103 -17.686 -0.670 -3.451 761 HG1 THR 103 1HG THR 103 -15.196 -1.960 -3.890 762 1HG2 THR 103 1HG2 THR 103 -16.573 -0.709 -6.188 763 2HG2 THR 103 2HG2 THR 103 -18.251 -0.689 -5.644 764 3HG2 THR 103 3HG2 THR 103 -17.341 -2.199 -5.638 765 H GLN 104 H GLN 104 -18.036 0.704 -2.602 766 HA GLN 104 HA GLN 104 -18.201 3.578 -3.183 767 1HB GLN 104 2HB GLN 104 -20.424 1.551 -3.458 768 2HB GLN 104 1HB GLN 104 -20.690 3.288 -3.435 769 1HG GLN 104 2HG GLN 104 -18.729 2.903 -5.361 770 2HG GLN 104 1HG GLN 104 -19.863 1.576 -5.597 771 1HE2 GLN 104 1HE2 GLN 104 -19.299 4.925 -5.908 772 2HE2 GLN 104 2HE2 GLN 104 -20.828 5.347 -6.626 773 H PHE 105 H PHE 105 -17.201 2.597 -0.795 774 HA PHE 105 HA PHE 105 -19.297 2.551 1.186 775 1HB PHE 105 2HB PHE 105 -16.964 1.451 1.380 776 2HB PHE 105 1HB PHE 105 -16.391 3.064 1.788 777 HD1 PHE 105 1HD PHE 105 -15.790 1.275 3.774 778 HD2 PHE 105 2HD PHE 105 -19.588 3.036 3.009 779 HE1 PHE 105 1HE PHE 105 -16.427 0.911 6.121 780 HE2 PHE 105 2HE PHE 105 -20.231 2.678 5.358 781 HZ PHE 105 HZ PHE 105 -18.650 1.613 6.917 782 H ASP 106 H ASP 106 -20.116 4.571 0.080 783 HA ASP 106 HA ASP 106 -18.829 7.061 0.567 784 1HB ASP 106 2HB ASP 106 -20.878 6.275 -1.028 785 2HB ASP 106 1HB ASP 106 -21.773 7.030 0.284 786 H ALA 107 H ALA 107 -21.788 5.672 1.934 787 HA ALA 107 HA ALA 107 -21.045 6.819 4.520 788 1HB ALA 107 1HB ALA 107 -22.934 8.055 3.155 789 2HB ALA 107 2HB ALA 107 -23.930 6.771 3.840 790 3HB ALA 107 3HB ALA 107 -23.035 7.855 4.904 791 H ALA 108 H ALA 108 -23.299 4.648 2.879 792 HA ALA 108 HA ALA 108 -23.082 2.805 5.160 793 1HB ALA 108 1HB ALA 108 -25.243 3.412 3.261 794 2HB ALA 108 2HB ALA 108 -25.025 1.705 3.640 795 3HB ALA 108 3HB ALA 108 -25.320 2.865 4.934 796 H ASN 109 H ASN 109 -22.541 0.650 4.814 797 HA ASN 109 HA ASN 109 -20.699 0.295 2.618 798 1HB ASN 109 2HB ASN 109 -20.380 -0.314 5.130 799 2HB ASN 109 1HB ASN 109 -21.250 -1.787 4.708 800 1HD2 ASN 109 1HD2 ASN 109 -19.474 -3.069 5.126 801 2HD2 ASN 109 2HD2 ASN 109 -18.094 -3.119 4.063 802 H GLY 110 H GLY 110 -23.222 0.303 1.572 803 1HA GLY 110 1HA GLY 110 -23.729 -2.541 0.937 804 2HA GLY 110 2HA GLY 110 -24.887 -1.240 0.676 805 H ILE 111 H ILE 111 -25.138 -0.823 -1.396 806 HA ILE 111 HA ILE 111 -22.856 -1.050 -3.230 807 HB ILE 111 HB ILE 111 -25.649 -0.181 -3.977 808 1HG1 ILE 111 2HG1 ILE 111 -24.981 -2.925 -4.675 809 2HG1 ILE 111 1HG1 ILE 111 -24.999 -2.681 -2.931 810 1HG2 ILE 111 1HG2 ILE 111 -24.947 -1.044 -6.204 811 2HG2 ILE 111 2HG2 ILE 111 -23.983 0.317 -5.634 812 3HG2 ILE 111 3HG2 ILE 111 -23.337 -1.321 -5.540 813 1HD1 ILE 111 1HD1 ILE 111 -27.216 -2.433 -4.902 814 2HD1 ILE 111 2HD1 ILE 111 -27.170 -3.280 -3.354 815 3HD1 ILE 111 3HD1 ILE 111 -27.274 -1.520 -3.396 816 H ASP 112 H ASP 112 -25.296 1.314 -3.789 817 HA ASP 112 HA ASP 112 -23.477 3.428 -2.847 818 1HB ASP 112 2HB ASP 112 -23.817 3.732 -5.216 819 2HB ASP 112 1HB ASP 112 -25.561 3.564 -5.036 820 H ASP 113 H ASP 113 -24.324 2.946 -0.763 821 HA ASP 113 HA ASP 113 -27.067 3.924 -0.346 822 1HB ASP 113 2HB ASP 113 -26.289 1.462 0.266 823 2HB ASP 113 1HB ASP 113 -25.659 2.258 1.704 824 H GLU 114 H GLU 114 -27.458 5.228 1.465 825 HA GLU 114 HA GLU 114 -25.060 6.556 2.540 826 1HB GLU 114 2HB GLU 114 -26.888 7.746 0.910 827 2HB GLU 114 1HB GLU 114 -27.585 8.091 2.485 828 1HG GLU 114 2HG GLU 114 -24.725 8.620 2.368 829 2HG GLU 114 1HG GLU 114 -25.657 9.566 1.210 Start of MODEL 18 1 1H GLY 1 1H GLY 1 -14.498 -13.335 -8.548 2 2H GLY 1 2H GLY 1 -12.842 -13.508 -8.227 3 3H GLY 1 3H GLY 1 -13.358 -12.746 -9.653 4 1HA GLY 1 2HA GLY 1 -13.265 -11.726 -6.918 5 2HA GLY 1 1HA GLY 1 -12.861 -10.915 -8.426 6 H SER 2 H SER 2 -15.291 -11.552 -6.094 7 HA SER 2 HA SER 2 -17.576 -10.902 -7.593 8 1HB SER 2 2HB SER 2 -17.971 -10.132 -4.884 9 2HB SER 2 1HB SER 2 -18.515 -11.607 -5.688 10 HG SER 2 HG SER 2 -16.943 -11.637 -3.748 11 H LEU 3 H LEU 3 -15.283 -8.950 -5.827 12 HA LEU 3 HA LEU 3 -16.654 -6.539 -6.828 13 1HB LEU 3 2HB LEU 3 -15.075 -6.826 -4.266 14 2HB LEU 3 1HB LEU 3 -15.775 -5.335 -4.864 15 HG LEU 3 HG LEU 3 -17.891 -7.191 -4.742 16 1HD1 LEU 3 1HD1 LEU 3 -17.806 -7.727 -2.291 17 2HD1 LEU 3 2HD1 LEU 3 -16.688 -8.643 -3.302 18 3HD1 LEU 3 3HD1 LEU 3 -16.096 -7.297 -2.330 19 1HD2 LEU 3 1HD2 LEU 3 -17.780 -5.402 -2.485 20 2HD2 LEU 3 2HD2 LEU 3 -17.307 -4.581 -3.972 21 3HD2 LEU 3 3HD2 LEU 3 -18.868 -5.396 -3.873 22 H LEU 4 H LEU 4 -13.699 -6.149 -5.157 23 HA LEU 4 HA LEU 4 -12.283 -5.631 -7.686 24 1HB LEU 4 2HB LEU 4 -11.276 -4.971 -4.933 25 2HB LEU 4 1HB LEU 4 -10.787 -4.276 -6.470 26 HG LEU 4 HG LEU 4 -13.570 -3.752 -6.076 27 1HD1 LEU 4 1HD1 LEU 4 -13.101 -4.072 -3.693 28 2HD1 LEU 4 2HD1 LEU 4 -11.803 -2.883 -3.793 29 3HD1 LEU 4 3HD1 LEU 4 -13.474 -2.390 -4.067 30 1HD2 LEU 4 1HD2 LEU 4 -12.930 -1.827 -7.003 31 2HD2 LEU 4 2HD2 LEU 4 -11.745 -1.516 -5.733 32 3HD2 LEU 4 3HD2 LEU 4 -11.317 -2.533 -7.111 33 H THR 5 H THR 5 -9.899 -6.263 -7.618 34 HA THR 5 HA THR 5 -9.456 -8.670 -6.001 35 HB THR 5 HB THR 5 -8.095 -9.275 -8.309 36 HG1 THR 5 1HG THR 5 -10.700 -8.410 -9.101 37 1HG2 THR 5 1HG2 THR 5 -9.176 -11.012 -7.238 38 2HG2 THR 5 2HG2 THR 5 -10.184 -10.808 -8.671 39 3HG2 THR 5 3HG2 THR 5 -10.700 -10.130 -7.126 40 H CYS 6 H CYS 6 -7.536 -8.696 -5.069 41 HA CYS 6 HA CYS 6 -5.812 -6.427 -5.497 42 1HB CYS 6 2HB CYS 6 -5.686 -6.538 -3.274 43 2HB CYS 6 1HB CYS 6 -6.681 -7.987 -3.293 44 H GLY 7 H GLY 7 -3.541 -6.596 -5.765 45 1HA GLY 7 1HA GLY 7 -2.810 -8.836 -7.459 46 2HA GLY 7 2HA GLY 7 -1.864 -7.379 -7.187 47 H GLY 8 H GLY 8 -2.744 -8.406 -4.208 48 1HA GLY 8 1HA GLY 8 -0.109 -9.563 -3.745 49 2HA GLY 8 2HA GLY 8 -1.263 -9.062 -2.517 50 H CYS 9 H CYS 9 -3.502 -10.503 -3.524 51 HA CYS 9 HA CYS 9 -2.591 -13.286 -3.204 52 1HB CYS 9 2HB CYS 9 -4.496 -13.764 -1.791 53 2HB CYS 9 1HB CYS 9 -3.582 -12.425 -1.106 54 H GLN 10 H GLN 10 -4.744 -11.026 -4.679 55 HA GLN 10 HA GLN 10 -6.126 -11.099 -6.459 56 1HB GLN 10 2HB GLN 10 -4.175 -13.224 -6.971 57 2HB GLN 10 1HB GLN 10 -5.701 -13.444 -7.817 58 1HG GLN 10 2HG GLN 10 -3.998 -10.966 -7.930 59 2HG GLN 10 1HG GLN 10 -4.035 -12.236 -9.151 60 1HE2 GLN 10 1HE2 GLN 10 -4.662 -9.428 -9.439 61 2HE2 GLN 10 2HE2 GLN 10 -6.305 -9.351 -10.001 62 H GLN 11 H GLN 11 -6.858 -12.442 -3.874 63 HA GLN 11 HA GLN 11 -8.544 -14.624 -4.687 64 1HB GLN 11 2HB GLN 11 -8.965 -15.005 -2.427 65 2HB GLN 11 1HB GLN 11 -7.332 -14.361 -2.435 66 1HG GLN 11 2HG GLN 11 -7.926 -12.750 -1.046 67 2HG GLN 11 1HG GLN 11 -9.169 -12.198 -2.167 68 1HE2 GLN 11 1HE2 GLN 11 -10.687 -11.710 -0.638 69 2HE2 GLN 11 2HE2 GLN 11 -11.450 -12.898 0.365 70 H ASN 12 H ASN 12 -8.970 -11.258 -3.854 71 HA ASN 12 HA ASN 12 -10.843 -10.113 -5.078 72 1HB ASN 12 2HB ASN 12 -12.419 -11.890 -5.333 73 2HB ASN 12 1HB ASN 12 -12.393 -12.256 -3.612 74 1HD2 ASN 12 1HD2 ASN 12 -14.011 -11.501 -2.456 75 2HD2 ASN 12 2HD2 ASN 12 -15.042 -10.176 -2.895 76 H ILE 13 H ILE 13 -11.201 -8.216 -4.115 77 HA ILE 13 HA ILE 13 -10.782 -8.038 -1.232 78 HB ILE 13 HB ILE 13 -11.209 -5.749 -3.120 79 1HG1 ILE 13 2HG1 ILE 13 -8.491 -6.613 -2.242 80 2HG1 ILE 13 1HG1 ILE 13 -9.250 -7.445 -3.590 81 1HG2 ILE 13 1HG2 ILE 13 -10.826 -4.423 -1.369 82 2HG2 ILE 13 2HG2 ILE 13 -11.074 -5.858 -0.374 83 3HG2 ILE 13 3HG2 ILE 13 -9.441 -5.384 -0.846 84 1HD1 ILE 13 1HD1 ILE 13 -9.163 -5.619 -4.949 85 2HD1 ILE 13 2HD1 ILE 13 -9.141 -4.480 -3.603 86 3HD1 ILE 13 3HD1 ILE 13 -7.690 -5.405 -3.996 87 H GLY 14 H GLY 14 -12.542 -8.472 -0.103 88 1HA GLY 14 1HA GLY 14 -15.053 -7.115 -0.890 89 2HA GLY 14 2HA GLY 14 -15.005 -8.694 -0.109 90 H ASP 15 H ASP 15 -12.632 -6.612 1.015 91 HA ASP 15 HA ASP 15 -13.693 -6.531 3.644 92 1HB ASP 15 2HB ASP 15 -11.288 -5.357 2.301 93 2HB ASP 15 1HB ASP 15 -11.759 -4.739 3.876 94 H ARG 16 H ARG 16 -13.290 -4.128 4.693 95 HA ARG 16 HA ARG 16 -15.404 -2.499 3.500 96 1HB ARG 16 2HB ARG 16 -14.648 -1.146 5.749 97 2HB ARG 16 1HB ARG 16 -15.921 -2.354 5.685 98 1HG ARG 16 2HG ARG 16 -14.818 -3.396 7.302 99 2HG ARG 16 1HG ARG 16 -13.647 -3.856 6.066 100 1HD ARG 16 2HD ARG 16 -12.837 -1.328 6.714 101 2HD ARG 16 1HD ARG 16 -13.415 -1.937 8.264 102 HE ARG 16 HE ARG 16 -11.884 -3.963 7.482 103 1HH1 ARG 16 2HH1 ARG 16 -11.268 -0.503 7.390 104 2HH1 ARG 16 1HH1 ARG 16 -9.554 -0.679 7.633 105 1HH2 ARG 16 2HH2 ARG 16 -9.621 -4.180 7.793 106 2HH2 ARG 16 1HH2 ARG 16 -8.614 -2.757 7.836 107 H TYR 17 H TYR 17 -11.985 -2.545 3.994 108 HA TYR 17 HA TYR 17 -11.761 -0.018 2.521 109 1HB TYR 17 2HB TYR 17 -11.132 -0.190 5.203 110 2HB TYR 17 1HB TYR 17 -9.585 -0.519 4.439 111 HD1 TYR 17 1HD TYR 17 -12.425 1.894 4.184 112 HD2 TYR 17 2HD TYR 17 -8.222 1.280 3.957 113 HE1 TYR 17 1HE TYR 17 -12.094 4.309 3.861 114 HE2 TYR 17 2HE TYR 17 -7.884 3.692 3.630 115 HH TYR 17 HH TYR 17 -10.147 5.748 2.680 116 H PHE 18 H PHE 18 -9.847 0.097 1.202 117 HA PHE 18 HA PHE 18 -8.117 -2.206 1.114 118 1HB PHE 18 2HB PHE 18 -8.592 -2.957 -1.083 119 2HB PHE 18 1HB PHE 18 -10.132 -2.870 -0.243 120 HD1 PHE 18 1HD PHE 18 -11.314 -0.445 -0.549 121 HD2 PHE 18 2HD PHE 18 -8.551 -2.253 -3.232 122 HE1 PHE 18 1HE PHE 18 -12.233 0.894 -2.388 123 HE2 PHE 18 2HE PHE 18 -9.460 -0.906 -5.075 124 HZ PHE 18 HZ PHE 18 -11.306 0.669 -4.656 125 H LEU 19 H LEU 19 -6.648 -1.979 -0.923 126 HA LEU 19 HA LEU 19 -5.822 0.838 -1.108 127 1HB LEU 19 2HB LEU 19 -4.262 -1.677 -0.602 128 2HB LEU 19 1HB LEU 19 -3.490 -0.294 -1.340 129 HG LEU 19 HG LEU 19 -4.923 0.022 1.271 130 1HD1 LEU 19 1HD1 LEU 19 -2.039 -0.796 1.048 131 2HD1 LEU 19 2HD1 LEU 19 -3.017 -0.626 2.505 132 3HD1 LEU 19 3HD1 LEU 19 -3.340 -1.942 1.375 133 1HD2 LEU 19 1HD2 LEU 19 -3.683 1.944 1.482 134 2HD2 LEU 19 2HD2 LEU 19 -2.384 1.349 0.448 135 3HD2 LEU 19 3HD2 LEU 19 -3.907 1.881 -0.266 136 H LYS 20 H LYS 20 -4.497 1.299 -3.038 137 HA LYS 20 HA LYS 20 -4.225 -0.684 -5.079 138 1HB LYS 20 2HB LYS 20 -5.357 1.742 -6.252 139 2HB LYS 20 1HB LYS 20 -5.668 0.071 -6.677 140 1HG LYS 20 2HG LYS 20 -7.688 0.290 -5.807 141 2HG LYS 20 1HG LYS 20 -6.950 0.547 -4.227 142 1HD LYS 20 2HD LYS 20 -7.328 2.763 -4.277 143 2HD LYS 20 1HD LYS 20 -6.898 2.892 -5.982 144 1HE LYS 20 2HE LYS 20 -9.497 1.719 -5.030 145 2HE LYS 20 1HE LYS 20 -9.294 3.434 -5.377 146 1HZ LYS 20 1HZ LYS 20 -8.307 1.980 -7.561 147 2HZ LYS 20 2HZ LYS 20 -9.660 3.005 -7.501 148 3HZ LYS 20 3HZ LYS 20 -9.839 1.353 -7.168 149 H ALA 21 H ALA 21 -2.901 0.347 -6.942 150 HA ALA 21 HA ALA 21 -1.948 2.934 -6.862 151 1HB ALA 21 1HB ALA 21 -0.790 2.862 -4.896 152 2HB ALA 21 2HB ALA 21 -0.430 1.141 -5.044 153 3HB ALA 21 3HB ALA 21 0.473 2.314 -6.000 154 H ILE 22 H ILE 22 0.221 0.220 -6.874 155 HA ILE 22 HA ILE 22 1.800 0.846 -8.889 156 HB ILE 22 HB ILE 22 0.910 -1.998 -8.463 157 1HG1 ILE 22 2HG1 ILE 22 2.799 -0.258 -6.864 158 2HG1 ILE 22 1HG1 ILE 22 1.333 -1.051 -6.296 159 1HG2 ILE 22 1HG2 ILE 22 2.493 -1.350 -10.374 160 2HG2 ILE 22 2HG2 ILE 22 3.679 -1.046 -9.104 161 3HG2 ILE 22 3HG2 ILE 22 2.982 -2.656 -9.293 162 1HD1 ILE 22 1HD1 ILE 22 2.437 -2.899 -5.797 163 2HD1 ILE 22 2HD1 ILE 22 3.196 -2.959 -7.388 164 3HD1 ILE 22 3HD1 ILE 22 3.924 -1.999 -6.101 165 H ASP 23 H ASP 23 -1.163 -1.041 -9.409 166 HA ASP 23 HA ASP 23 -1.729 -0.045 -11.944 167 1HB ASP 23 2HB ASP 23 0.325 -1.210 -12.672 168 2HB ASP 23 1HB ASP 23 -0.302 -2.720 -12.016 169 H GLN 24 H GLN 24 -2.049 -2.249 -9.436 170 HA GLN 24 HA GLN 24 -4.709 -3.019 -10.381 171 1HB GLN 24 2HB GLN 24 -4.413 -5.236 -9.353 172 2HB GLN 24 1HB GLN 24 -3.252 -4.963 -10.644 173 1HG GLN 24 2HG GLN 24 -2.203 -4.128 -8.091 174 2HG GLN 24 1HG GLN 24 -2.716 -5.813 -8.062 175 1HE2 GLN 24 1HE2 GLN 24 -0.222 -3.738 -8.823 176 2HE2 GLN 24 2HE2 GLN 24 0.717 -4.799 -9.824 177 H TYR 25 H TYR 25 -5.843 -4.098 -8.370 178 HA TYR 25 HA TYR 25 -5.772 -2.107 -6.256 179 1HB TYR 25 2HB TYR 25 -7.589 -4.512 -6.562 180 2HB TYR 25 1HB TYR 25 -7.799 -3.171 -5.435 181 HD1 TYR 25 1HD TYR 25 -9.355 -4.442 -8.078 182 HD2 TYR 25 2HD TYR 25 -7.356 -0.821 -7.044 183 HE1 TYR 25 1HE TYR 25 -10.655 -3.238 -9.785 184 HE2 TYR 25 2HE TYR 25 -8.658 0.385 -8.742 185 HH TYR 25 HH TYR 25 -10.143 0.248 -10.358 186 H TRP 26 H TRP 26 -5.735 -2.838 -4.023 187 HA TRP 26 HA TRP 26 -4.238 -5.320 -3.608 188 1HB TRP 26 2HB TRP 26 -3.526 -2.588 -2.517 189 2HB TRP 26 1HB TRP 26 -2.785 -4.092 -1.986 190 HD1 TRP 26 HD TRP 26 -2.691 -1.532 -4.756 191 HE1 TRP 26 1HE TRP 26 -0.712 -2.062 -6.317 192 HE3 TRP 26 3HE TRP 26 -1.438 -6.136 -2.942 193 HZ2 TRP 26 2HZ TRP 26 1.122 -4.171 -6.744 194 HZ3 TRP 26 3HZ TRP 26 0.428 -7.351 -3.981 195 HH2 TRP 26 HH TRP 26 1.687 -6.386 -5.841 196 H HIS 27 H HIS 27 -3.897 -5.407 -1.073 197 HA HIS 27 HA HIS 27 -6.535 -4.979 0.176 198 1HB HIS 27 2HB HIS 27 -4.728 -7.320 0.142 199 2HB HIS 27 1HB HIS 27 -5.408 -6.917 1.711 200 HD2 HIS 27 2HD HIS 27 -8.442 -6.435 1.166 201 HE1 HIS 27 1HE HIS 27 -8.308 -10.045 -1.047 202 HE2 HIS 27 2HE HIS 27 -9.773 -8.525 0.368 203 H GLU 28 H GLU 28 -6.514 -4.398 2.386 204 HA GLU 28 HA GLU 28 -4.421 -2.675 3.230 205 1HB GLU 28 2HB GLU 28 -6.797 -3.915 4.619 206 2HB GLU 28 1HB GLU 28 -5.738 -2.748 5.369 207 1HG GLU 28 2HG GLU 28 -6.863 -1.972 2.767 208 2HG GLU 28 1HG GLU 28 -8.011 -2.111 4.095 209 H ASP 29 H ASP 29 -5.130 -5.991 3.525 210 HA ASP 29 HA ASP 29 -3.055 -6.450 5.570 211 1HB ASP 29 2HB ASP 29 -5.366 -7.138 6.143 212 2HB ASP 29 1HB ASP 29 -5.410 -8.170 4.722 213 H CYS 30 H CYS 30 -2.943 -6.217 2.475 214 HA CYS 30 HA CYS 30 -1.498 -8.749 2.033 215 1HB CYS 30 2HB CYS 30 -3.474 -7.340 0.367 216 2HB CYS 30 1HB CYS 30 -2.074 -7.979 -0.474 217 H LEU 31 H LEU 31 -1.584 -5.290 1.424 218 HA LEU 31 HA LEU 31 0.978 -5.418 0.082 219 1HB LEU 31 2HB LEU 31 -0.858 -3.854 -0.642 220 2HB LEU 31 1HB LEU 31 -0.523 -2.915 0.805 221 HG LEU 31 HG LEU 31 1.886 -3.463 -0.738 222 1HD1 LEU 31 1HD1 LEU 31 0.965 -3.225 -2.770 223 2HD1 LEU 31 2HD1 LEU 31 -0.489 -2.451 -2.140 224 3HD1 LEU 31 3HD1 LEU 31 0.988 -1.511 -2.354 225 1HD2 LEU 31 1HD2 LEU 31 1.228 -0.702 -0.520 226 2HD2 LEU 31 2HD2 LEU 31 0.844 -1.505 1.003 227 3HD2 LEU 31 3HD2 LEU 31 2.471 -1.618 0.331 228 H SER 32 H SER 32 2.823 -5.392 1.079 229 HA SER 32 HA SER 32 3.647 -3.413 2.811 230 1HB SER 32 2HB SER 32 2.577 -5.803 4.198 231 2HB SER 32 1HB SER 32 4.125 -5.190 4.787 232 HG SER 32 HG SER 32 1.794 -3.609 4.406 233 H CYS 33 H CYS 33 5.666 -4.754 4.249 234 HA CYS 33 HA CYS 33 7.748 -4.732 2.561 235 1HB CYS 33 2HB CYS 33 7.224 -6.057 5.179 236 2HB CYS 33 1HB CYS 33 8.730 -6.405 4.357 237 H ASP 34 H ASP 34 8.312 -5.896 0.846 238 HA ASP 34 HA ASP 34 7.541 -8.732 0.709 239 1HB ASP 34 2HB ASP 34 7.283 -6.941 -1.249 240 2HB ASP 34 1HB ASP 34 8.960 -7.383 -1.547 241 H LEU 35 H LEU 35 10.218 -6.505 0.713 242 HA LEU 35 HA LEU 35 12.297 -8.400 0.367 243 1HB LEU 35 2HB LEU 35 12.763 -6.111 -0.082 244 2HB LEU 35 1HB LEU 35 12.217 -5.609 1.508 245 HG LEU 35 HG LEU 35 14.245 -7.230 2.224 246 1HD1 LEU 35 1HD1 LEU 35 14.704 -7.595 -0.254 247 2HD1 LEU 35 2HD1 LEU 35 15.290 -5.931 -0.273 248 3HD1 LEU 35 3HD1 LEU 35 16.072 -7.130 0.759 249 1HD2 LEU 35 1HD2 LEU 35 14.588 -4.361 1.368 250 2HD2 LEU 35 2HD2 LEU 35 13.836 -4.878 2.877 251 3HD2 LEU 35 3HD2 LEU 35 15.537 -5.230 2.575 252 H CYS 36 H CYS 36 11.108 -6.731 3.287 253 HA CYS 36 HA CYS 36 12.572 -8.519 5.005 254 1HB CYS 36 2HB CYS 36 10.471 -6.608 5.962 255 2HB CYS 36 1HB CYS 36 11.943 -7.131 6.775 256 H GLY 37 H GLY 37 9.160 -7.810 4.370 257 1HA GLY 37 1HA GLY 37 7.520 -9.566 4.207 258 2HA GLY 37 2HA GLY 37 8.509 -10.526 5.304 259 H CYS 38 H CYS 38 8.440 -7.347 6.325 260 HA CYS 38 HA CYS 38 6.599 -8.010 8.465 261 1HB CYS 38 2HB CYS 38 8.196 -5.469 8.156 262 2HB CYS 38 1HB CYS 38 7.536 -6.162 9.633 263 HG CYS 38 HG CYS 38 10.324 -6.386 9.703 264 H ARG 39 H ARG 39 6.754 -4.687 7.934 265 HA ARG 39 HA ARG 39 4.601 -4.471 6.071 266 1HB ARG 39 2HB ARG 39 3.428 -3.071 8.151 267 2HB ARG 39 1HB ARG 39 2.899 -4.611 7.500 268 1HG ARG 39 2HG ARG 39 4.497 -5.665 9.205 269 2HG ARG 39 1HG ARG 39 4.503 -4.071 9.965 270 1HD ARG 39 2HD ARG 39 2.703 -4.826 11.071 271 2HD ARG 39 1HD ARG 39 1.844 -4.463 9.576 272 HE ARG 39 HE ARG 39 1.979 -6.799 8.995 273 1HH1 ARG 39 2HH1 ARG 39 2.865 -5.982 12.291 274 2HH1 ARG 39 1HH1 ARG 39 2.599 -7.591 12.901 275 1HH2 ARG 39 2HH2 ARG 39 1.600 -8.912 9.810 276 2HH2 ARG 39 1HH2 ARG 39 1.877 -9.252 11.490 277 H LEU 40 H LEU 40 4.124 -2.309 5.475 278 HA LEU 40 HA LEU 40 6.169 -0.370 6.343 279 1HB LEU 40 2HB LEU 40 5.000 0.453 3.892 280 2HB LEU 40 1HB LEU 40 6.663 0.007 4.212 281 HG LEU 40 HG LEU 40 5.026 -2.342 3.923 282 1HD1 LEU 40 1HD1 LEU 40 3.674 -1.750 2.261 283 2HD1 LEU 40 2HD1 LEU 40 4.399 -0.145 2.172 284 3HD1 LEU 40 3HD1 LEU 40 5.107 -1.484 1.266 285 1HD2 LEU 40 1HD2 LEU 40 6.855 -3.085 2.810 286 2HD2 LEU 40 2HD2 LEU 40 7.096 -1.557 1.960 287 3HD2 LEU 40 3HD2 LEU 40 7.597 -1.718 3.645 288 H GLY 41 H GLY 41 3.633 -0.830 7.629 289 1HA GLY 41 1HA GLY 41 2.640 1.390 8.524 290 2HA GLY 41 2HA GLY 41 2.055 1.526 6.866 291 H GLU 42 H GLU 42 0.932 -0.539 6.081 292 HA GLU 42 HA GLU 42 -1.115 -1.228 8.034 293 1HB GLU 42 2HB GLU 42 -0.809 -1.606 5.069 294 2HB GLU 42 1HB GLU 42 -1.990 -2.554 5.958 295 1HG GLU 42 2HG GLU 42 -2.012 0.283 5.208 296 2HG GLU 42 1HG GLU 42 -3.343 -0.854 5.401 297 H VAL 43 H VAL 43 -0.905 -3.724 5.897 298 HA VAL 43 HA VAL 43 1.166 -5.279 7.134 299 HB VAL 43 HB VAL 43 -0.342 -5.724 8.881 300 1HG1 VAL 43 1HG1 VAL 43 -2.342 -4.733 8.269 301 2HG1 VAL 43 2HG1 VAL 43 -2.468 -5.670 6.781 302 3HG1 VAL 43 3HG1 VAL 43 -2.754 -6.448 8.338 303 1HG2 VAL 43 1HG2 VAL 43 0.541 -7.794 7.961 304 2HG2 VAL 43 2HG2 VAL 43 -1.080 -8.037 8.614 305 3HG2 VAL 43 3HG2 VAL 43 -0.840 -7.913 6.870 306 H GLY 44 H GLY 44 1.633 -7.165 5.844 307 1HA GLY 44 1HA GLY 44 0.151 -8.308 3.859 308 2HA GLY 44 2HA GLY 44 0.706 -6.805 3.143 309 H ARG 45 H ARG 45 1.619 -8.415 1.624 310 HA ARG 45 HA ARG 45 4.277 -9.290 2.530 311 1HB ARG 45 2HB ARG 45 4.035 -11.378 1.357 312 2HB ARG 45 1HB ARG 45 2.673 -11.181 2.448 313 1HG ARG 45 2HG ARG 45 2.292 -10.243 -0.329 314 2HG ARG 45 1HG ARG 45 2.419 -11.985 -0.083 315 1HD ARG 45 2HD ARG 45 0.418 -10.078 1.109 316 2HD ARG 45 1HD ARG 45 0.114 -11.435 0.026 317 HE ARG 45 HE ARG 45 1.289 -12.526 2.270 318 1HH1 ARG 45 2HH1 ARG 45 -1.629 -10.682 1.558 319 2HH1 ARG 45 1HH1 ARG 45 -2.501 -11.322 2.915 320 1HH2 ARG 45 2HH2 ARG 45 0.102 -13.387 4.021 321 2HH2 ARG 45 1HH2 ARG 45 -1.527 -12.856 4.301 322 H ARG 46 H ARG 46 2.372 -7.852 -0.018 323 HA ARG 46 HA ARG 46 4.853 -7.518 -1.591 324 1HB ARG 46 2HB ARG 46 2.323 -7.284 -3.092 325 2HB ARG 46 1HB ARG 46 3.851 -7.998 -3.576 326 1HG ARG 46 2HG ARG 46 2.854 -9.737 -1.655 327 2HG ARG 46 1HG ARG 46 1.446 -9.259 -2.608 328 1HD ARG 46 2HD ARG 46 3.770 -9.818 -4.256 329 2HD ARG 46 1HD ARG 46 3.297 -11.203 -3.272 330 HE ARG 46 HE ARG 46 1.292 -9.819 -4.919 331 1HH1 ARG 46 2HH1 ARG 46 3.185 -12.669 -4.208 332 2HH1 ARG 46 1HH1 ARG 46 2.226 -13.715 -5.214 333 1HH2 ARG 46 2HH2 ARG 46 0.024 -11.175 -6.241 334 2HH2 ARG 46 1HH2 ARG 46 0.420 -12.865 -6.376 335 H LEU 47 H LEU 47 5.061 -5.431 -2.659 336 HA LEU 47 HA LEU 47 3.097 -3.411 -2.073 337 1HB LEU 47 2HB LEU 47 4.510 -1.971 -0.776 338 2HB LEU 47 1HB LEU 47 4.321 -3.505 0.027 339 HG LEU 47 HG LEU 47 6.504 -3.478 0.386 340 1HD1 LEU 47 1HD1 LEU 47 8.099 -3.964 -1.403 341 2HD1 LEU 47 2HD1 LEU 47 6.680 -5.008 -1.468 342 3HD1 LEU 47 3HD1 LEU 47 6.839 -3.665 -2.604 343 1HD2 LEU 47 1HD2 LEU 47 6.902 -1.258 0.365 344 2HD2 LEU 47 2HD2 LEU 47 7.919 -1.712 -1.008 345 3HD2 LEU 47 3HD2 LEU 47 6.305 -1.051 -1.285 346 H TYR 48 H TYR 48 4.848 -1.178 -2.470 347 HA TYR 48 HA TYR 48 4.965 -1.157 -5.323 348 1HB TYR 48 2HB TYR 48 4.896 1.047 -4.851 349 2HB TYR 48 1HB TYR 48 5.257 0.735 -3.157 350 HD1 TYR 48 1HD TYR 48 6.438 2.187 -6.169 351 HD2 TYR 48 2HD TYR 48 7.765 0.353 -2.569 352 HE1 TYR 48 1HE TYR 48 8.644 3.191 -6.483 353 HE2 TYR 48 2HE TYR 48 9.987 1.379 -2.868 354 HH TYR 48 HH TYR 48 10.691 3.354 -5.759 355 H TYR 49 H TYR 49 6.824 -1.297 -6.644 356 HA TYR 49 HA TYR 49 9.165 -2.348 -5.226 357 1HB TYR 49 2HB TYR 49 9.254 -4.251 -6.674 358 2HB TYR 49 1HB TYR 49 7.656 -4.151 -5.936 359 HD1 TYR 49 1HD TYR 49 9.295 -4.954 -8.848 360 HD2 TYR 49 2HD TYR 49 5.961 -2.661 -7.519 361 HE1 TYR 49 1HE TYR 49 8.262 -5.173 -11.069 362 HE2 TYR 49 2HE TYR 49 4.928 -2.867 -9.741 363 HH TYR 49 HH TYR 49 6.648 -4.127 -12.464 364 H LYS 50 H LYS 50 11.036 -2.748 -6.612 365 HA LYS 50 HA LYS 50 11.642 -0.368 -8.131 366 1HB LYS 50 2HB LYS 50 13.117 -2.275 -6.644 367 2HB LYS 50 1HB LYS 50 13.684 -2.393 -8.301 368 1HG LYS 50 2HG LYS 50 13.553 0.338 -7.797 369 2HG LYS 50 1HG LYS 50 14.211 -0.371 -6.319 370 1HD LYS 50 2HD LYS 50 15.773 -1.680 -7.886 371 2HD LYS 50 1HD LYS 50 15.287 -0.517 -9.121 372 1HE LYS 50 2HE LYS 50 16.205 1.295 -7.910 373 2HE LYS 50 1HE LYS 50 16.382 0.325 -6.446 374 1HZ LYS 50 1HZ LYS 50 18.504 0.645 -7.588 375 2HZ LYS 50 2HZ LYS 50 17.885 -0.101 -8.981 376 3HZ LYS 50 3HZ LYS 50 18.067 -0.994 -7.546 377 H LEU 51 H LEU 51 12.875 -0.745 -10.248 378 HA LEU 51 HA LEU 51 11.090 -1.571 -12.139 379 1HB LEU 51 2HB LEU 51 13.247 -1.754 -13.652 380 2HB LEU 51 1HB LEU 51 12.608 -0.222 -13.112 381 HG LEU 51 HG LEU 51 15.140 -0.579 -13.042 382 1HD1 LEU 51 1HD1 LEU 51 13.373 0.749 -11.170 383 2HD1 LEU 51 2HD1 LEU 51 14.966 0.415 -10.493 384 3HD1 LEU 51 3HD1 LEU 51 14.819 1.339 -11.989 385 1HD2 LEU 51 1HD2 LEU 51 15.617 -2.560 -12.026 386 2HD2 LEU 51 2HD2 LEU 51 15.746 -1.471 -10.644 387 3HD2 LEU 51 3HD2 LEU 51 14.282 -2.431 -10.879 388 H GLY 52 H GLY 52 13.197 -3.656 -10.373 389 1HA GLY 52 1HA GLY 52 12.696 -5.776 -12.358 390 2HA GLY 52 2HA GLY 52 14.118 -5.699 -11.335 391 H ARG 53 H ARG 53 12.683 -5.107 -8.856 392 HA ARG 53 HA ARG 53 11.023 -7.483 -8.520 393 1HB ARG 53 2HB ARG 53 12.399 -8.602 -6.987 394 2HB ARG 53 1HB ARG 53 13.482 -8.117 -8.283 395 1HG ARG 53 2HG ARG 53 14.676 -6.757 -6.952 396 2HG ARG 53 1HG ARG 53 13.259 -6.211 -6.056 397 1HD ARG 53 2HD ARG 53 13.483 -7.801 -4.477 398 2HD ARG 53 1HD ARG 53 13.984 -9.027 -5.641 399 HE ARG 53 HE ARG 53 16.127 -7.386 -5.531 400 1HH1 ARG 53 2HH1 ARG 53 14.236 -8.964 -3.014 401 2HH1 ARG 53 1HH1 ARG 53 15.606 -9.192 -1.967 402 1HH2 ARG 53 2HH2 ARG 53 17.905 -7.672 -4.125 403 2HH2 ARG 53 1HH2 ARG 53 17.673 -8.437 -2.580 404 H LYS 54 H LYS 54 10.049 -7.687 -6.432 405 HA LYS 54 HA LYS 54 9.152 -5.146 -5.466 406 1HB LYS 54 2HB LYS 54 8.495 -7.972 -4.661 407 2HB LYS 54 1HB LYS 54 7.762 -6.561 -3.908 408 1HG LYS 54 2HG LYS 54 7.489 -6.226 -6.690 409 2HG LYS 54 1HG LYS 54 7.043 -7.895 -6.330 410 1HD LYS 54 2HD LYS 54 5.555 -7.015 -4.521 411 2HD LYS 54 1HD LYS 54 5.897 -5.388 -5.108 412 1HE LYS 54 2HE LYS 54 3.761 -6.383 -5.955 413 2HE LYS 54 1HE LYS 54 4.880 -5.851 -7.213 414 1HZ LYS 54 1HZ LYS 54 3.721 -8.207 -7.284 415 2HZ LYS 54 2HZ LYS 54 5.061 -8.633 -6.333 416 3HZ LYS 54 3HZ LYS 54 5.294 -7.966 -7.875 417 H LEU 55 H LEU 55 10.000 -3.999 -3.917 418 HA LEU 55 HA LEU 55 10.912 -5.167 -1.487 419 1HB LEU 55 2HB LEU 55 13.102 -5.272 -1.834 420 2HB LEU 55 1HB LEU 55 12.822 -4.885 -3.518 421 HG LEU 55 HG LEU 55 12.962 -2.565 -1.704 422 1HD1 LEU 55 1HD1 LEU 55 15.638 -3.310 -2.354 423 2HD1 LEU 55 2HD1 LEU 55 14.928 -2.993 -0.772 424 3HD1 LEU 55 3HD1 LEU 55 14.878 -4.620 -1.450 425 1HD2 LEU 55 1HD2 LEU 55 13.825 -1.516 -3.553 426 2HD2 LEU 55 2HD2 LEU 55 14.600 -2.982 -4.158 427 3HD2 LEU 55 3HD2 LEU 55 12.857 -2.773 -4.325 428 H CYS 56 H CYS 56 11.093 -3.661 0.152 429 HA CYS 56 HA CYS 56 9.212 -1.644 -0.040 430 1HB CYS 56 2HB CYS 56 10.948 -1.329 2.232 431 2HB CYS 56 1HB CYS 56 9.293 -1.951 2.166 432 H ARG 57 H ARG 57 9.286 0.561 0.034 433 HA ARG 57 HA ARG 57 11.374 1.871 -1.336 434 1HB ARG 57 2HB ARG 57 9.072 2.673 -1.430 435 2HB ARG 57 1HB ARG 57 9.095 3.005 0.295 436 1HG ARG 57 2HG ARG 57 9.344 5.067 -0.856 437 2HG ARG 57 1HG ARG 57 10.895 4.674 -0.114 438 1HD ARG 57 2HD ARG 57 11.388 3.584 -2.446 439 2HD ARG 57 1HD ARG 57 10.108 4.664 -2.999 440 HE ARG 57 HE ARG 57 11.843 6.214 -1.510 441 1HH1 ARG 57 2HH1 ARG 57 11.911 4.295 -4.423 442 2HH1 ARG 57 1HH1 ARG 57 13.165 5.236 -5.170 443 1HH2 ARG 57 2HH2 ARG 57 13.461 7.501 -2.498 444 2HH2 ARG 57 1HH2 ARG 57 14.057 7.067 -4.076 445 H ARG 58 H ARG 58 10.331 2.155 2.055 446 HA ARG 58 HA ARG 58 12.489 3.800 2.744 447 1HB ARG 58 2HB ARG 58 10.361 2.352 4.243 448 2HB ARG 58 1HB ARG 58 11.708 3.059 5.136 449 1HG ARG 58 2HG ARG 58 10.376 4.874 5.139 450 2HG ARG 58 1HG ARG 58 11.104 5.098 3.547 451 1HD ARG 58 2HD ARG 58 9.168 3.705 2.666 452 2HD ARG 58 1HD ARG 58 8.398 4.036 4.219 453 HE ARG 58 HE ARG 58 9.384 6.399 2.917 454 1HH1 ARG 58 2HH1 ARG 58 6.675 4.167 3.056 455 2HH1 ARG 58 1HH1 ARG 58 5.520 5.355 2.526 456 1HH2 ARG 58 2HH2 ARG 58 7.856 7.952 2.248 457 2HH2 ARG 58 1HH2 ARG 58 6.183 7.494 2.082 458 H ASP 59 H ASP 59 12.072 0.319 2.824 459 HA ASP 59 HA ASP 59 14.361 -0.109 4.492 460 1HB ASP 59 2HB ASP 59 12.580 -1.919 2.883 461 2HB ASP 59 1HB ASP 59 14.045 -2.533 3.648 462 H TYR 60 H TYR 60 13.729 -0.202 1.030 463 HA TYR 60 HA TYR 60 16.362 -0.976 0.267 464 1HB TYR 60 2HB TYR 60 15.349 -1.129 -1.694 465 2HB TYR 60 1HB TYR 60 13.910 -0.413 -0.991 466 HD1 TYR 60 1HD TYR 60 16.568 -0.005 -3.333 467 HD2 TYR 60 2HD TYR 60 13.666 2.093 -1.070 468 HE1 TYR 60 1HE TYR 60 16.700 1.881 -4.918 469 HE2 TYR 60 2HE TYR 60 13.779 3.974 -2.628 470 HH TYR 60 HH TYR 60 15.587 4.887 -4.273 471 H LEU 61 H LEU 61 14.853 2.002 1.192 472 HA LEU 61 HA LEU 61 17.059 3.655 0.341 473 1HB LEU 61 2HB LEU 61 14.414 4.101 1.148 474 2HB LEU 61 1HB LEU 61 15.407 4.857 2.379 475 HG LEU 61 HG LEU 61 16.271 6.428 0.920 476 1HD1 LEU 61 1HD1 LEU 61 17.058 5.916 -1.097 477 2HD1 LEU 61 2HD1 LEU 61 16.423 4.285 -0.874 478 3HD1 LEU 61 3HD1 LEU 61 15.439 5.508 -1.676 479 1HD2 LEU 61 1HD2 LEU 61 14.283 7.021 -0.671 480 2HD2 LEU 61 2HD2 LEU 61 13.458 5.741 0.220 481 3HD2 LEU 61 3HD2 LEU 61 14.093 7.143 1.079 482 H ARG 62 H ARG 62 16.796 1.422 2.743 483 HA ARG 62 HA ARG 62 18.520 2.951 4.566 484 1HB ARG 62 2HB ARG 62 16.474 0.953 4.961 485 2HB ARG 62 1HB ARG 62 17.984 0.468 5.720 486 1HG ARG 62 2HG ARG 62 16.886 1.652 7.387 487 2HG ARG 62 1HG ARG 62 18.009 2.838 6.712 488 1HD ARG 62 2HD ARG 62 15.313 2.642 5.507 489 2HD ARG 62 1HD ARG 62 15.438 3.384 7.102 490 HE ARG 62 HE ARG 62 17.360 4.515 5.380 491 1HH1 ARG 62 2HH1 ARG 62 13.912 4.473 5.986 492 2HH1 ARG 62 1HH1 ARG 62 13.625 6.014 5.222 493 1HH2 ARG 62 2HH2 ARG 62 16.999 6.534 4.370 494 2HH2 ARG 62 1HH2 ARG 62 15.388 7.178 4.283 495 H LEU 63 H LEU 63 18.269 -0.200 2.947 496 HA LEU 63 HA LEU 63 21.008 -0.855 3.600 497 1HB LEU 63 2HB LEU 63 20.538 -2.848 2.074 498 2HB LEU 63 1HB LEU 63 19.676 -2.750 3.596 499 HG LEU 63 HG LEU 63 18.024 -1.472 1.727 500 1HD1 LEU 63 1HD1 LEU 63 19.738 -3.196 0.345 501 2HD1 LEU 63 2HD1 LEU 63 18.210 -4.061 0.502 502 3HD1 LEU 63 3HD1 LEU 63 18.246 -2.465 -0.246 503 1HD2 LEU 63 1HD2 LEU 63 16.854 -3.844 2.055 504 2HD2 LEU 63 2HD2 LEU 63 18.053 -3.938 3.347 505 3HD2 LEU 63 3HD2 LEU 63 16.892 -2.610 3.317 506 H GLY 64 H GLY 64 19.173 0.255 0.843 507 1HA GLY 64 1HA GLY 64 21.607 0.342 -0.806 508 2HA GLY 64 2HA GLY 64 19.964 0.654 -1.368 509 H GLY 65 H GLY 65 19.572 2.209 1.180 510 1HA GLY 65 1HA GLY 65 20.583 4.765 0.213 511 2HA GLY 65 2HA GLY 65 19.399 4.523 1.486 512 H SER 66 H SER 66 22.515 3.004 1.079 513 HA SER 66 HA SER 66 23.215 3.090 3.768 514 1HB SER 66 2HB SER 66 25.527 2.857 2.070 515 2HB SER 66 1HB SER 66 24.713 1.611 3.023 516 HG SER 66 HG SER 66 24.801 1.553 0.521 517 H GLY 67 H GLY 67 23.412 5.615 1.517 518 1HA GLY 67 1HA GLY 67 25.820 6.831 2.472 519 2HA GLY 67 2HA GLY 67 24.617 7.575 1.430 520 H GLY 68 H GLY 68 22.502 6.915 3.487 521 1HA GLY 68 1HA GLY 68 21.720 7.747 5.526 522 2HA GLY 68 2HA GLY 68 23.249 8.584 5.746 523 H HIS 69 H HIS 69 22.793 9.552 2.859 524 HA HIS 69 HA HIS 69 21.338 11.958 3.602 525 1HB HIS 69 2HB HIS 69 23.579 11.492 2.050 526 2HB HIS 69 1HB HIS 69 22.339 11.792 0.853 527 HD2 HIS 69 2HD HIS 69 21.162 14.370 0.981 528 HE1 HIS 69 1HE HIS 69 24.231 15.922 3.442 529 HE2 HIS 69 2HE HIS 69 22.390 16.507 1.805 530 H MET 70 H MET 70 20.871 12.001 0.439 531 HA MET 70 HA MET 70 18.126 11.261 0.539 532 1HB MET 70 2HB MET 70 20.013 11.963 -1.699 533 2HB MET 70 1HB MET 70 18.371 11.426 -2.028 534 1HG MET 70 2HG MET 70 18.234 13.448 -0.059 535 2HG MET 70 1HG MET 70 19.302 14.014 -1.341 536 1HE MET 70 1HE MET 70 16.513 14.586 0.026 537 2HE MET 70 2HE MET 70 16.130 15.725 -1.265 538 3HE MET 70 3HE MET 70 15.079 14.340 -0.973 539 H GLY 71 H GLY 71 21.078 9.667 -0.307 540 1HA GLY 71 1HA GLY 71 20.041 7.099 0.040 541 2HA GLY 71 2HA GLY 71 20.087 7.429 -1.688 542 H SER 72 H SER 72 22.203 8.557 -2.342 543 HA SER 72 HA SER 72 24.389 8.135 -2.885 544 1HB SER 72 2HB SER 72 25.260 8.406 -0.108 545 2HB SER 72 1HB SER 72 25.537 9.470 -1.487 546 HG SER 72 HG SER 72 24.095 10.731 -0.640 547 H GLY 73 H GLY 73 23.570 5.646 -2.997 548 1HA GLY 73 1HA GLY 73 25.794 4.104 -2.435 549 2HA GLY 73 2HA GLY 73 24.713 3.891 -1.067 550 H GLY 74 H GLY 74 24.733 1.637 -1.766 551 1HA GLY 74 1HA GLY 74 23.321 -0.053 -2.491 552 2HA GLY 74 2HA GLY 74 22.406 1.139 -3.403 553 H ASP 75 H ASP 75 24.918 -1.201 -3.474 554 HA ASP 75 HA ASP 75 25.539 -0.589 -6.278 555 1HB ASP 75 2HB ASP 75 27.493 -1.021 -4.899 556 2HB ASP 75 1HB ASP 75 26.795 -2.527 -4.316 557 H VAL 76 H VAL 76 23.904 -1.330 -7.497 558 HA VAL 76 HA VAL 76 23.100 -4.141 -7.151 559 HB VAL 76 HB VAL 76 20.875 -2.802 -8.171 560 1HG1 VAL 76 1HG1 VAL 76 20.549 -3.248 -5.377 561 2HG1 VAL 76 2HG1 VAL 76 19.962 -4.218 -6.728 562 3HG1 VAL 76 3HG1 VAL 76 21.557 -4.532 -6.045 563 1HG2 VAL 76 1HG2 VAL 76 22.357 -1.059 -6.358 564 2HG2 VAL 76 2HG2 VAL 76 21.044 -0.685 -7.474 565 3HG2 VAL 76 3HG2 VAL 76 20.683 -1.335 -5.874 566 H MET 77 H MET 77 21.995 -5.005 -9.105 567 HA MET 77 HA MET 77 23.539 -4.574 -11.397 568 1HB MET 77 2HB MET 77 20.874 -5.946 -11.076 569 2HB MET 77 1HB MET 77 21.851 -6.009 -12.538 570 1HG MET 77 2HG MET 77 23.708 -6.891 -11.036 571 2HG MET 77 1HG MET 77 22.445 -7.152 -9.845 572 1HE MET 77 1HE MET 77 22.447 -9.171 -9.379 573 2HE MET 77 2HE MET 77 21.261 -10.204 -10.177 574 3HE MET 77 3HE MET 77 22.983 -10.502 -10.404 575 H VAL 78 H VAL 78 23.025 -3.672 -13.408 576 HA VAL 78 HA VAL 78 21.377 -1.303 -13.243 577 HB VAL 78 HB VAL 78 22.651 -2.284 -15.782 578 1HG1 VAL 78 1HG1 VAL 78 21.742 -0.346 -16.429 579 2HG1 VAL 78 2HG1 VAL 78 21.483 0.189 -14.768 580 3HG1 VAL 78 3HG1 VAL 78 23.055 0.422 -15.534 581 1HG2 VAL 78 1HG2 VAL 78 24.629 -2.375 -14.733 582 2HG2 VAL 78 2HG2 VAL 78 24.537 -0.613 -14.723 583 3HG2 VAL 78 3HG2 VAL 78 24.022 -1.532 -13.309 584 H VAL 79 H VAL 79 19.241 -1.704 -13.290 585 HA VAL 79 HA VAL 79 18.239 -3.533 -15.379 586 HB VAL 79 HB VAL 79 16.616 -2.616 -13.022 587 1HG1 VAL 79 1HG1 VAL 79 15.601 -4.943 -13.498 588 2HG1 VAL 79 2HG1 VAL 79 15.220 -3.606 -14.585 589 3HG1 VAL 79 3HG1 VAL 79 16.426 -4.804 -15.051 590 1HG2 VAL 79 1HG2 VAL 79 18.663 -4.793 -13.134 591 2HG2 VAL 79 2HG2 VAL 79 18.361 -3.604 -11.867 592 3HG2 VAL 79 3HG2 VAL 79 17.244 -4.948 -12.096 593 H GLY 80 H GLY 80 17.828 -0.372 -13.881 594 1HA GLY 80 1HA GLY 80 17.242 1.045 -16.142 595 2HA GLY 80 2HA GLY 80 15.679 0.420 -15.627 596 H GLU 81 H GLU 81 18.433 1.503 -13.724 597 HA GLU 81 HA GLU 81 16.909 2.786 -11.786 598 1HB GLU 81 2HB GLU 81 19.812 2.832 -12.541 599 2HB GLU 81 1HB GLU 81 19.215 3.897 -11.276 600 1HG GLU 81 2HG GLU 81 20.201 1.742 -10.492 601 2HG GLU 81 1HG GLU 81 18.575 2.082 -9.915 602 HA PRO 82 HA PRO 82 16.154 6.556 -14.132 603 1HB PRO 82 2HB PRO 82 14.211 7.206 -12.086 604 2HB PRO 82 1HB PRO 82 13.934 6.760 -13.770 605 1HG PRO 82 2HG PRO 82 13.242 5.173 -11.666 606 2HG PRO 82 1HG PRO 82 13.660 4.540 -13.269 607 1HD PRO 82 2HD PRO 82 15.358 4.720 -10.802 608 2HD PRO 82 1HD PRO 82 15.213 3.391 -11.975 609 H THR 83 H THR 83 15.329 7.275 -10.810 610 HA THR 83 HA THR 83 16.966 9.626 -10.848 611 HB THR 83 HB THR 83 15.851 9.133 -8.262 612 HG1 THR 83 1HG THR 83 14.384 7.705 -9.128 613 1HG2 THR 83 1HG2 THR 83 16.184 11.336 -9.187 614 2HG2 THR 83 2HG2 THR 83 14.462 11.100 -8.892 615 3HG2 THR 83 3HG2 THR 83 15.102 10.974 -10.531 616 H LEU 84 H LEU 84 19.119 9.221 -10.650 617 HA LEU 84 HA LEU 84 20.063 7.410 -8.567 618 1HB LEU 84 2HB LEU 84 21.729 9.027 -10.492 619 2HB LEU 84 1HB LEU 84 22.233 7.636 -9.551 620 HG LEU 84 HG LEU 84 20.028 7.286 -11.530 621 1HD1 LEU 84 1HD1 LEU 84 21.381 8.239 -13.078 622 2HD1 LEU 84 2HD1 LEU 84 22.851 7.920 -12.159 623 3HD1 LEU 84 3HD1 LEU 84 22.084 6.620 -13.071 624 1HD2 LEU 84 1HD2 LEU 84 21.050 5.571 -9.831 625 2HD2 LEU 84 2HD2 LEU 84 20.618 5.075 -11.467 626 3HD2 LEU 84 3HD2 LEU 84 22.300 5.417 -11.068 627 H MET 85 H MET 85 20.301 8.178 -6.604 628 HA MET 85 HA MET 85 20.772 11.031 -6.206 629 1HB MET 85 2HB MET 85 19.135 9.006 -4.968 630 2HB MET 85 1HB MET 85 20.157 9.777 -3.773 631 1HG MET 85 2HG MET 85 18.913 11.620 -3.777 632 2HG MET 85 1HG MET 85 18.942 11.715 -5.537 633 1HE MET 85 1HE MET 85 16.936 12.646 -5.872 634 2HE MET 85 2HE MET 85 16.385 11.329 -6.906 635 3HE MET 85 3HE MET 85 15.325 11.962 -5.645 636 H GLY 86 H GLY 86 22.969 9.354 -6.918 637 1HA GLY 86 1HA GLY 86 25.220 9.696 -5.968 638 2HA GLY 86 2HA GLY 86 24.513 9.347 -4.395 639 H GLY 87 H GLY 87 22.827 7.254 -5.465 640 1HA GLY 87 1HA GLY 87 24.807 5.220 -6.244 641 2HA GLY 87 2HA GLY 87 23.652 4.889 -4.958 642 H GLU 88 H GLU 88 22.994 3.079 -6.389 643 HA GLU 88 HA GLU 88 21.512 3.964 -8.727 644 1HB GLU 88 2HB GLU 88 22.204 1.126 -7.962 645 2HB GLU 88 1HB GLU 88 21.704 1.720 -9.541 646 1HG GLU 88 2HG GLU 88 23.750 2.894 -9.838 647 2HG GLU 88 1HG GLU 88 24.224 2.604 -8.170 648 H PHE 89 H PHE 89 19.729 4.785 -7.623 649 HA PHE 89 HA PHE 89 18.027 2.873 -6.206 650 1HB PHE 89 2HB PHE 89 17.604 5.849 -6.443 651 2HB PHE 89 1HB PHE 89 16.961 4.742 -5.223 652 HD1 PHE 89 1HD PHE 89 18.638 3.579 -3.706 653 HD2 PHE 89 2HD PHE 89 19.545 6.992 -6.066 654 HE1 PHE 89 1HE PHE 89 20.630 3.993 -2.333 655 HE2 PHE 89 2HE PHE 89 21.527 7.425 -4.691 656 HZ PHE 89 HZ PHE 89 22.080 5.909 -2.850 657 H GLY 90 H GLY 90 15.575 3.850 -6.472 658 1HA GLY 90 1HA GLY 90 15.028 3.467 -9.341 659 2HA GLY 90 2HA GLY 90 13.927 3.037 -8.038 660 H ASP 91 H ASP 91 12.512 4.523 -7.285 661 HA ASP 91 HA ASP 91 12.431 7.028 -8.763 662 1HB ASP 91 2HB ASP 91 9.969 6.910 -8.045 663 2HB ASP 91 1HB ASP 91 10.520 5.698 -9.196 664 H GLU 92 H GLU 92 10.232 7.106 -6.401 665 HA GLU 92 HA GLU 92 11.796 8.159 -4.229 666 1HB GLU 92 2HB GLU 92 10.041 9.938 -5.926 667 2HB GLU 92 1HB GLU 92 10.414 10.324 -4.253 668 1HG GLU 92 2HG GLU 92 12.787 9.697 -5.765 669 2HG GLU 92 1HG GLU 92 11.873 11.019 -6.490 670 H ASP 93 H ASP 93 8.604 8.034 -5.718 671 HA ASP 93 HA ASP 93 7.565 6.656 -3.391 672 1HB ASP 93 2HB ASP 93 6.024 8.182 -2.725 673 2HB ASP 93 1HB ASP 93 7.131 9.325 -3.470 674 H GLU 94 H GLU 94 7.293 7.636 -6.733 675 HA GLU 94 HA GLU 94 6.272 6.746 -8.537 676 1HB GLU 94 2HB GLU 94 7.066 4.511 -6.941 677 2HB GLU 94 1HB GLU 94 5.505 4.148 -7.665 678 1HG GLU 94 2HG GLU 94 7.330 5.342 -9.568 679 2HG GLU 94 1HG GLU 94 7.985 3.871 -8.851 680 H ARG 95 H ARG 95 4.348 4.486 -6.817 681 HA ARG 95 HA ARG 95 2.071 6.350 -6.889 682 1HB ARG 95 2HB ARG 95 2.326 4.087 -8.434 683 2HB ARG 95 1HB ARG 95 1.398 3.504 -7.059 684 1HG ARG 95 2HG ARG 95 -0.338 4.202 -8.304 685 2HG ARG 95 1HG ARG 95 0.054 5.762 -7.576 686 1HD ARG 95 2HD ARG 95 0.295 6.565 -9.638 687 2HD ARG 95 1HD ARG 95 1.741 5.563 -9.778 688 HE ARG 95 HE ARG 95 0.566 4.056 -11.078 689 1HH1 ARG 95 2HH1 ARG 95 -1.633 6.465 -9.774 690 2HH1 ARG 95 1HH1 ARG 95 -2.916 6.064 -10.885 691 1HH2 ARG 95 2HH2 ARG 95 -1.113 3.509 -12.495 692 2HH2 ARG 95 1HH2 ARG 95 -2.643 4.341 -12.398 693 H LEU 96 H LEU 96 4.034 4.302 -5.058 694 HA LEU 96 HA LEU 96 3.957 3.396 -2.975 695 1HB LEU 96 2HB LEU 96 2.414 5.947 -2.629 696 2HB LEU 96 1HB LEU 96 2.706 4.864 -1.280 697 HG LEU 96 HG LEU 96 4.820 6.245 -2.933 698 1HD1 LEU 96 1HD1 LEU 96 3.289 7.098 -0.697 699 2HD1 LEU 96 2HD1 LEU 96 4.953 6.844 -0.170 700 3HD1 LEU 96 3HD1 LEU 96 4.611 7.931 -1.516 701 1HD2 LEU 96 1HD2 LEU 96 6.134 5.317 -0.799 702 2HD2 LEU 96 2HD2 LEU 96 4.922 4.047 -0.958 703 3HD2 LEU 96 3HD2 LEU 96 5.996 4.414 -2.309 704 H ILE 97 H ILE 97 0.958 4.651 -2.006 705 HA ILE 97 HA ILE 97 -0.691 2.591 -3.041 706 HB ILE 97 HB ILE 97 -1.253 2.221 -0.334 707 1HG1 ILE 97 2HG1 ILE 97 1.259 1.013 -0.141 708 2HG1 ILE 97 1HG1 ILE 97 1.584 2.646 -0.713 709 1HG2 ILE 97 1HG2 ILE 97 -0.764 -0.101 -0.816 710 2HG2 ILE 97 2HG2 ILE 97 -1.600 0.650 -2.176 711 3HG2 ILE 97 3HG2 ILE 97 0.141 0.368 -2.254 712 1HD1 ILE 97 1HD1 ILE 97 1.535 2.196 1.816 713 2HD1 ILE 97 2HD1 ILE 97 0.698 3.620 1.196 714 3HD1 ILE 97 3HD1 ILE 97 -0.217 2.175 1.625 715 H THR 98 H THR 98 -2.726 3.277 -3.109 716 HA THR 98 HA THR 98 -3.433 5.630 -1.499 717 HB THR 98 HB THR 98 -3.735 5.031 -4.311 718 HG1 THR 98 1HG THR 98 -4.657 7.370 -2.991 719 1HG2 THR 98 1HG2 THR 98 -5.964 4.224 -3.607 720 2HG2 THR 98 2HG2 THR 98 -6.029 5.632 -4.669 721 3HG2 THR 98 3HG2 THR 98 -6.296 5.821 -2.936 722 H ARG 99 H ARG 99 -4.938 5.320 0.033 723 HA ARG 99 HA ARG 99 -6.194 2.690 0.185 724 1HB ARG 99 2HB ARG 99 -6.699 4.702 2.307 725 2HB ARG 99 1HB ARG 99 -6.375 2.982 2.441 726 1HG ARG 99 2HG ARG 99 -4.022 4.170 1.472 727 2HG ARG 99 1HG ARG 99 -4.603 5.182 2.792 728 1HD ARG 99 2HD ARG 99 -3.588 2.407 2.817 729 2HD ARG 99 1HD ARG 99 -3.396 3.692 4.007 730 HE ARG 99 HE ARG 99 -5.479 1.680 3.897 731 1HH1 ARG 99 2HH1 ARG 99 -4.652 4.868 5.123 732 2HH1 ARG 99 1HH1 ARG 99 -5.655 4.710 6.540 733 1HH2 ARG 99 2HH2 ARG 99 -6.740 1.457 5.746 734 2HH2 ARG 99 1HH2 ARG 99 -6.829 2.761 6.900 735 H LEU 100 H LEU 100 -8.327 2.313 -0.025 736 HA LEU 100 HA LEU 100 -10.108 4.630 -0.303 737 1HB LEU 100 2HB LEU 100 -9.221 3.204 -2.436 738 2HB LEU 100 1HB LEU 100 -10.688 2.333 -2.042 739 HG LEU 100 HG LEU 100 -11.679 4.806 -2.015 740 1HD1 LEU 100 1HD1 LEU 100 -10.481 6.382 -3.051 741 2HD1 LEU 100 2HD1 LEU 100 -9.100 5.320 -2.767 742 3HD1 LEU 100 3HD1 LEU 100 -9.948 5.272 -4.315 743 1HD2 LEU 100 1HD2 LEU 100 -12.403 4.446 -4.304 744 2HD2 LEU 100 2HD2 LEU 100 -11.128 3.250 -4.539 745 3HD2 LEU 100 3HD2 LEU 100 -12.440 2.928 -3.405 746 H GLU 101 H GLU 101 -12.415 3.803 -0.469 747 HA GLU 101 HA GLU 101 -12.820 1.662 1.513 748 1HB GLU 101 2HB GLU 101 -15.202 3.218 1.091 749 2HB GLU 101 1HB GLU 101 -14.304 2.955 2.579 750 1HG GLU 101 2HG GLU 101 -13.512 5.018 2.551 751 2HG GLU 101 1HG GLU 101 -12.951 4.853 0.891 752 H ASN 102 H ASN 102 -14.218 0.014 1.032 753 HA ASN 102 HA ASN 102 -14.638 -0.585 -1.714 754 1HB ASN 102 2HB ASN 102 -14.325 -2.302 0.067 755 2HB ASN 102 1HB ASN 102 -15.913 -1.883 0.710 756 1HD2 ASN 102 1HD2 ASN 102 -16.276 -4.179 0.369 757 2HD2 ASN 102 2HD2 ASN 102 -16.829 -4.705 -1.189 758 H THR 103 H THR 103 -16.884 0.131 0.922 759 HA THR 103 HA THR 103 -18.458 1.860 -0.696 760 HB THR 103 HB THR 103 -19.777 -0.719 0.205 761 HG1 THR 103 1HG THR 103 -18.564 -0.053 -2.090 762 1HG2 THR 103 1HG2 THR 103 -21.632 0.523 0.338 763 2HG2 THR 103 2HG2 THR 103 -21.548 0.644 -1.419 764 3HG2 THR 103 3HG2 THR 103 -20.851 1.916 -0.414 765 H GLN 104 H GLN 104 -18.891 -0.283 2.108 766 HA GLN 104 HA GLN 104 -18.838 2.043 3.862 767 1HB GLN 104 2HB GLN 104 -20.818 0.884 5.142 768 2HB GLN 104 1HB GLN 104 -21.148 1.974 3.804 769 1HG GLN 104 2HG GLN 104 -22.351 0.367 2.872 770 2HG GLN 104 1HG GLN 104 -20.867 -0.561 2.657 771 1HE2 GLN 104 1HE2 GLN 104 -21.807 -2.547 2.963 772 2HE2 GLN 104 2HE2 GLN 104 -22.434 -3.069 4.500 773 H PHE 105 H PHE 105 -19.656 -1.406 4.153 774 HA PHE 105 HA PHE 105 -17.241 -1.885 5.692 775 1HB PHE 105 2HB PHE 105 -20.035 -1.901 6.667 776 2HB PHE 105 1HB PHE 105 -19.080 -3.309 7.101 777 HD1 PHE 105 1HD PHE 105 -16.506 -2.414 7.705 778 HD2 PHE 105 2HD PHE 105 -20.197 -0.430 8.395 779 HE1 PHE 105 1HE PHE 105 -15.466 -1.128 9.528 780 HE2 PHE 105 2HE PHE 105 -19.172 0.858 10.224 781 HZ PHE 105 HZ PHE 105 -16.802 0.509 10.789 782 H ASP 106 H ASP 106 -19.086 -4.355 6.351 783 HA ASP 106 HA ASP 106 -18.865 -5.684 3.726 784 1HB ASP 106 2HB ASP 106 -17.386 -6.711 5.514 785 2HB ASP 106 1HB ASP 106 -18.849 -7.097 6.398 786 H ALA 107 H ALA 107 -20.368 -6.228 6.843 787 HA ALA 107 HA ALA 107 -22.997 -5.557 5.931 788 1HB ALA 107 1HB ALA 107 -22.448 -8.478 6.462 789 2HB ALA 107 2HB ALA 107 -24.031 -7.756 6.171 790 3HB ALA 107 3HB ALA 107 -22.816 -7.765 4.891 791 H ALA 108 H ALA 108 -20.958 -5.190 8.132 792 HA ALA 108 HA ALA 108 -20.946 -4.710 10.349 793 1HB ALA 108 1HB ALA 108 -23.195 -3.822 10.179 794 2HB ALA 108 2HB ALA 108 -23.875 -5.445 10.297 795 3HB ALA 108 3HB ALA 108 -23.024 -4.743 11.674 796 H ASN 109 H ASN 109 -23.260 -7.384 10.235 797 HA ASN 109 HA ASN 109 -21.398 -9.040 11.795 798 1HB ASN 109 2HB ASN 109 -23.886 -8.787 12.439 799 2HB ASN 109 1HB ASN 109 -24.215 -9.812 11.045 800 1HD2 ASN 109 1HD2 ASN 109 -25.004 -10.683 13.457 801 2HD2 ASN 109 2HD2 ASN 109 -23.994 -11.995 13.997 802 H GLY 110 H GLY 110 -20.585 -8.470 9.275 803 1HA GLY 110 1HA GLY 110 -21.492 -10.495 7.420 804 2HA GLY 110 2HA GLY 110 -20.252 -9.283 7.125 805 H ILE 111 H ILE 111 -18.706 -10.595 6.290 806 HA ILE 111 HA ILE 111 -17.551 -12.566 8.156 807 HB ILE 111 HB ILE 111 -17.577 -12.898 5.154 808 1HG1 ILE 111 2HG1 ILE 111 -19.082 -14.900 6.603 809 2HG1 ILE 111 1HG1 ILE 111 -19.730 -13.293 6.917 810 1HG2 ILE 111 1HG2 ILE 111 -17.046 -15.066 7.142 811 2HG2 ILE 111 2HG2 ILE 111 -16.529 -14.935 5.460 812 3HG2 ILE 111 3HG2 ILE 111 -15.764 -13.938 6.699 813 1HD1 ILE 111 1HD1 ILE 111 -19.281 -14.488 4.193 814 2HD1 ILE 111 2HD1 ILE 111 -20.830 -14.390 5.032 815 3HD1 ILE 111 3HD1 ILE 111 -19.997 -12.914 4.542 816 H ASP 112 H ASP 112 -17.107 -10.150 5.695 817 HA ASP 112 HA ASP 112 -14.192 -10.219 6.117 818 1HB ASP 112 2HB ASP 112 -15.742 -9.950 3.772 819 2HB ASP 112 1HB ASP 112 -14.986 -8.383 4.051 820 H ASP 113 H ASP 113 -16.597 -8.924 7.602 821 HA ASP 113 HA ASP 113 -15.976 -6.117 7.546 822 1HB ASP 113 2HB ASP 113 -18.180 -7.522 8.328 823 2HB ASP 113 1HB ASP 113 -17.430 -7.181 9.885 824 H GLU 114 H GLU 114 -15.524 -5.051 9.773 825 HA GLU 114 HA GLU 114 -13.451 -6.629 11.145 826 1HB GLU 114 2HB GLU 114 -12.670 -4.675 9.621 827 2HB GLU 114 1HB GLU 114 -13.280 -3.641 10.905 828 1HG GLU 114 2HG GLU 114 -11.644 -5.663 12.065 829 2HG GLU 114 1HG GLU 114 -10.773 -4.923 10.721 Start of MODEL 19 1 1H GLY 1 1H GLY 1 -20.914 -9.646 -4.053 2 2H GLY 1 2H GLY 1 -21.332 -8.753 -5.431 3 3H GLY 1 3H GLY 1 -19.953 -8.336 -4.543 4 1HA GLY 1 2HA GLY 1 -19.726 -11.032 -5.272 5 2HA GLY 1 1HA GLY 1 -20.152 -10.101 -6.701 6 H SER 2 H SER 2 -18.246 -10.041 -7.772 7 HA SER 2 HA SER 2 -15.810 -9.368 -6.326 8 1HB SER 2 2HB SER 2 -16.116 -9.954 -9.276 9 2HB SER 2 1HB SER 2 -14.636 -10.019 -8.311 10 HG SER 2 HG SER 2 -16.002 -11.651 -7.031 11 H LEU 3 H LEU 3 -14.583 -7.562 -6.680 12 HA LEU 3 HA LEU 3 -15.759 -5.458 -8.377 13 1HB LEU 3 2HB LEU 3 -14.655 -5.251 -5.584 14 2HB LEU 3 1HB LEU 3 -14.740 -3.855 -6.643 15 HG LEU 3 HG LEU 3 -17.292 -5.190 -6.557 16 1HD1 LEU 3 1HD1 LEU 3 -17.862 -4.875 -4.253 17 2HD1 LEU 3 2HD1 LEU 3 -16.447 -5.922 -4.336 18 3HD1 LEU 3 3HD1 LEU 3 -16.263 -4.224 -3.894 19 1HD2 LEU 3 1HD2 LEU 3 -16.137 -2.492 -6.178 20 2HD2 LEU 3 2HD2 LEU 3 -17.473 -3.027 -7.200 21 3HD2 LEU 3 3HD2 LEU 3 -17.725 -2.795 -5.471 22 H LEU 4 H LEU 4 -12.840 -5.786 -6.414 23 HA LEU 4 HA LEU 4 -11.214 -5.612 -8.865 24 1HB LEU 4 2HB LEU 4 -10.267 -4.631 -6.188 25 2HB LEU 4 1HB LEU 4 -9.579 -4.316 -7.771 26 HG LEU 4 HG LEU 4 -12.282 -3.289 -7.576 27 1HD1 LEU 4 1HD1 LEU 4 -10.416 -2.788 -5.347 28 2HD1 LEU 4 2HD1 LEU 4 -11.195 -1.365 -6.042 29 3HD1 LEU 4 3HD1 LEU 4 -12.177 -2.686 -5.405 30 1HD2 LEU 4 1HD2 LEU 4 -10.138 -1.366 -7.839 31 2HD2 LEU 4 2HD2 LEU 4 -9.896 -2.761 -8.896 32 3HD2 LEU 4 3HD2 LEU 4 -11.390 -1.825 -8.994 33 H THR 5 H THR 5 -9.101 -6.732 -8.598 34 HA THR 5 HA THR 5 -9.307 -8.838 -6.559 35 HB THR 5 HB THR 5 -7.713 -9.886 -8.600 36 HG1 THR 5 1HG THR 5 -10.150 -9.306 -9.843 37 1HG2 THR 5 1HG2 THR 5 -10.120 -10.455 -7.143 38 2HG2 THR 5 2HG2 THR 5 -8.947 -11.576 -7.844 39 3HG2 THR 5 3HG2 THR 5 -10.285 -10.969 -8.823 40 H CYS 6 H CYS 6 -7.618 -9.198 -5.334 41 HA CYS 6 HA CYS 6 -5.365 -7.405 -5.577 42 1HB CYS 6 2HB CYS 6 -5.735 -7.338 -3.369 43 2HB CYS 6 1HB CYS 6 -6.785 -8.749 -3.432 44 H GLY 7 H GLY 7 -3.304 -8.015 -5.956 45 1HA GLY 7 1HA GLY 7 -2.951 -10.526 -7.285 46 2HA GLY 7 2HA GLY 7 -1.729 -9.284 -7.059 47 H GLY 8 H GLY 8 -2.890 -9.811 -4.053 48 1HA GLY 8 1HA GLY 8 -0.579 -11.452 -3.390 49 2HA GLY 8 2HA GLY 8 -1.633 -10.618 -2.255 50 H CYS 9 H CYS 9 -4.077 -11.568 -2.707 51 HA CYS 9 HA CYS 9 -3.756 -14.430 -2.117 52 1HB CYS 9 2HB CYS 9 -5.823 -14.263 -0.839 53 2HB CYS 9 1HB CYS 9 -4.678 -13.040 -0.293 54 H GLN 10 H GLN 10 -5.283 -12.156 -4.201 55 HA GLN 10 HA GLN 10 -6.557 -12.317 -6.051 56 1HB GLN 10 2HB GLN 10 -5.571 -15.151 -5.894 57 2HB GLN 10 1HB GLN 10 -6.530 -14.549 -7.237 58 1HG GLN 10 2HG GLN 10 -4.058 -13.092 -6.463 59 2HG GLN 10 1HG GLN 10 -3.916 -14.608 -7.346 60 1HE2 GLN 10 1HE2 GLN 10 -5.045 -11.322 -7.454 61 2HE2 GLN 10 2HE2 GLN 10 -5.226 -11.235 -9.183 62 H GLN 11 H GLN 11 -7.683 -12.855 -3.329 63 HA GLN 11 HA GLN 11 -9.929 -14.606 -3.978 64 1HB GLN 11 2HB GLN 11 -10.295 -14.832 -1.704 65 2HB GLN 11 1HB GLN 11 -8.555 -14.627 -1.768 66 1HG GLN 11 2HG GLN 11 -8.759 -13.002 -0.290 67 2HG GLN 11 1HG GLN 11 -9.590 -12.046 -1.517 68 1HE2 GLN 11 1HE2 GLN 11 -11.120 -11.054 -0.351 69 2HE2 GLN 11 2HE2 GLN 11 -12.314 -11.857 0.609 70 H ASN 12 H ASN 12 -9.334 -11.652 -4.782 71 HA ASN 12 HA ASN 12 -10.607 -9.920 -5.505 72 1HB ASN 12 2HB ASN 12 -12.446 -11.223 -6.140 73 2HB ASN 12 1HB ASN 12 -12.819 -11.677 -4.482 74 1HD2 ASN 12 1HD2 ASN 12 -14.314 -10.548 -3.410 75 2HD2 ASN 12 2HD2 ASN 12 -15.039 -9.075 -3.985 76 H ILE 13 H ILE 13 -10.905 -7.935 -4.716 77 HA ILE 13 HA ILE 13 -10.745 -7.603 -1.820 78 HB ILE 13 HB ILE 13 -10.706 -5.365 -3.808 79 1HG1 ILE 13 2HG1 ILE 13 -8.135 -6.529 -2.876 80 2HG1 ILE 13 1HG1 ILE 13 -8.998 -7.390 -4.146 81 1HG2 ILE 13 1HG2 ILE 13 -10.585 -5.461 -1.038 82 2HG2 ILE 13 2HG2 ILE 13 -8.916 -5.177 -1.549 83 3HG2 ILE 13 3HG2 ILE 13 -10.202 -4.083 -2.069 84 1HD1 ILE 13 1HD1 ILE 13 -8.597 -5.799 -5.686 85 2HD1 ILE 13 2HD1 ILE 13 -8.671 -4.484 -4.510 86 3HD1 ILE 13 3HD1 ILE 13 -7.216 -5.476 -4.633 87 H GLY 14 H GLY 14 -12.705 -7.802 -0.926 88 1HA GLY 14 1HA GLY 14 -14.965 -6.392 -2.180 89 2HA GLY 14 2HA GLY 14 -15.097 -7.720 -1.028 90 H ASP 15 H ASP 15 -12.700 -5.577 -0.131 91 HA ASP 15 HA ASP 15 -14.277 -4.620 2.089 92 1HB ASP 15 2HB ASP 15 -11.378 -4.278 1.322 93 2HB ASP 15 1HB ASP 15 -12.094 -3.447 2.700 94 H ARG 16 H ARG 16 -13.620 -2.169 2.672 95 HA ARG 16 HA ARG 16 -14.647 -0.627 0.401 96 1HB ARG 16 2HB ARG 16 -15.788 0.659 1.871 97 2HB ARG 16 1HB ARG 16 -15.535 -0.690 2.963 98 1HG ARG 16 2HG ARG 16 -13.323 1.193 2.993 99 2HG ARG 16 1HG ARG 16 -14.862 1.937 3.428 100 1HD ARG 16 2HD ARG 16 -14.720 -0.567 4.740 101 2HD ARG 16 1HD ARG 16 -13.176 0.249 4.990 102 HE ARG 16 HE ARG 16 -14.762 2.212 5.657 103 1HH1 ARG 16 2HH1 ARG 16 -15.206 -1.204 6.353 104 2HH1 ARG 16 1HH1 ARG 16 -16.048 -0.912 7.851 105 1HH2 ARG 16 2HH2 ARG 16 -15.898 2.587 7.592 106 2HH2 ARG 16 1HH2 ARG 16 -16.492 1.248 8.525 107 H TYR 17 H TYR 17 -11.840 -1.130 2.288 108 HA TYR 17 HA TYR 17 -10.540 1.110 0.889 109 1HB TYR 17 2HB TYR 17 -10.994 1.091 3.596 110 2HB TYR 17 1HB TYR 17 -9.380 0.394 3.496 111 HD1 TYR 17 1HD TYR 17 -11.303 3.221 2.015 112 HD2 TYR 17 2HD TYR 17 -7.603 1.874 3.611 113 HE1 TYR 17 1HE TYR 17 -10.387 5.485 1.761 114 HE2 TYR 17 2HE TYR 17 -6.668 4.137 3.365 115 HH TYR 17 HH TYR 17 -8.506 6.728 1.793 116 H PHE 18 H PHE 18 -8.537 0.647 0.026 117 HA PHE 18 HA PHE 18 -7.239 -1.856 0.687 118 1HB PHE 18 2HB PHE 18 -7.444 -2.902 -1.430 119 2HB PHE 18 1HB PHE 18 -9.066 -2.410 -0.965 120 HD1 PHE 18 1HD PHE 18 -7.003 -2.713 -3.646 121 HD2 PHE 18 2HD PHE 18 -9.533 0.191 -1.832 122 HE1 PHE 18 1HE PHE 18 -7.278 -1.594 -5.819 123 HE2 PHE 18 2HE PHE 18 -9.803 1.313 -3.998 124 HZ PHE 18 HZ PHE 18 -8.677 0.422 -5.996 125 H LEU 19 H LEU 19 -5.476 -2.201 -1.227 126 HA LEU 19 HA LEU 19 -4.077 0.375 -1.547 127 1HB LEU 19 2HB LEU 19 -3.165 -2.258 -0.497 128 2HB LEU 19 1HB LEU 19 -2.042 -1.371 -1.504 129 HG LEU 19 HG LEU 19 -3.307 0.035 0.803 130 1HD1 LEU 19 1HD1 LEU 19 -0.794 -1.159 1.536 131 2HD1 LEU 19 2HD1 LEU 19 -2.343 -1.191 2.381 132 3HD1 LEU 19 3HD1 LEU 19 -1.986 -2.399 1.146 133 1HD2 LEU 19 1HD2 LEU 19 -1.628 0.903 -1.059 134 2HD2 LEU 19 2HD2 LEU 19 -1.548 1.470 0.609 135 3HD2 LEU 19 3HD2 LEU 19 -0.440 0.215 0.051 136 H LYS 20 H LYS 20 -3.284 0.747 -3.628 137 HA LYS 20 HA LYS 20 -2.698 -1.447 -5.362 138 1HB LYS 20 2HB LYS 20 -4.722 -1.720 -6.266 139 2HB LYS 20 1HB LYS 20 -5.356 -0.279 -5.491 140 1HG LYS 20 2HG LYS 20 -3.690 0.504 -7.658 141 2HG LYS 20 1HG LYS 20 -4.806 -0.722 -8.221 142 1HD LYS 20 2HD LYS 20 -6.589 0.688 -6.962 143 2HD LYS 20 1HD LYS 20 -5.385 1.976 -7.063 144 1HE LYS 20 2HE LYS 20 -5.500 2.087 -9.362 145 2HE LYS 20 1HE LYS 20 -6.090 0.433 -9.517 146 1HZ LYS 20 1HZ LYS 20 -8.104 1.297 -9.715 147 2HZ LYS 20 2HZ LYS 20 -7.558 2.852 -9.313 148 3HZ LYS 20 3HZ LYS 20 -8.023 1.776 -8.091 149 H ALA 21 H ALA 21 -1.515 -0.783 -7.231 150 HA ALA 21 HA ALA 21 -1.253 1.684 -8.338 151 1HB ALA 21 1HB ALA 21 0.682 2.757 -7.319 152 2HB ALA 21 2HB ALA 21 -0.631 2.605 -6.150 153 3HB ALA 21 3HB ALA 21 0.745 1.501 -6.081 154 H ILE 22 H ILE 22 0.545 -1.049 -7.110 155 HA ILE 22 HA ILE 22 2.862 -0.933 -8.544 156 HB ILE 22 HB ILE 22 1.259 -3.352 -7.713 157 1HG1 ILE 22 2HG1 ILE 22 3.643 -1.907 -6.544 158 2HG1 ILE 22 1HG1 ILE 22 2.021 -2.001 -5.869 159 1HG2 ILE 22 1HG2 ILE 22 2.613 -4.671 -8.877 160 2HG2 ILE 22 2HG2 ILE 22 3.486 -3.264 -9.488 161 3HG2 ILE 22 3HG2 ILE 22 3.989 -4.022 -7.978 162 1HD1 ILE 22 1HD1 ILE 22 3.236 -3.500 -4.596 163 2HD1 ILE 22 2HD1 ILE 22 2.442 -4.537 -5.781 164 3HD1 ILE 22 3HD1 ILE 22 4.138 -4.103 -5.982 165 H ASP 23 H ASP 23 -0.210 -2.241 -9.568 166 HA ASP 23 HA ASP 23 -0.335 -1.721 -12.173 167 1HB ASP 23 2HB ASP 23 1.895 -2.875 -12.466 168 2HB ASP 23 1HB ASP 23 1.126 -4.375 -11.955 169 H GLN 24 H GLN 24 -0.797 -3.645 -9.518 170 HA GLN 24 HA GLN 24 -3.267 -4.793 -10.618 171 1HB GLN 24 2HB GLN 24 -1.229 -5.982 -8.772 172 2HB GLN 24 1HB GLN 24 -2.920 -6.406 -8.555 173 1HG GLN 24 2HG GLN 24 -2.650 -7.971 -10.076 174 2HG GLN 24 1HG GLN 24 -2.435 -6.695 -11.275 175 1HE2 GLN 24 1HE2 GLN 24 -0.015 -5.667 -10.482 176 2HE2 GLN 24 2HE2 GLN 24 1.241 -6.841 -10.703 177 H TYR 25 H TYR 25 -4.714 -5.329 -8.685 178 HA TYR 25 HA TYR 25 -4.674 -3.070 -6.809 179 1HB TYR 25 2HB TYR 25 -6.966 -5.001 -7.013 180 2HB TYR 25 1HB TYR 25 -6.969 -3.330 -6.451 181 HD1 TYR 25 1HD TYR 25 -8.083 -5.369 -8.977 182 HD2 TYR 25 2HD TYR 25 -6.099 -1.632 -8.434 183 HE1 TYR 25 1HE TYR 25 -8.843 -4.645 -11.200 184 HE2 TYR 25 2HE TYR 25 -6.860 -0.910 -10.659 185 HH TYR 25 HH TYR 25 -9.284 -2.457 -12.375 186 H TRP 26 H TRP 26 -4.814 -3.588 -4.566 187 HA TRP 26 HA TRP 26 -3.989 -6.342 -3.947 188 1HB TRP 26 2HB TRP 26 -2.710 -3.814 -2.883 189 2HB TRP 26 1HB TRP 26 -2.271 -5.458 -2.438 190 HD1 TRP 26 HD TRP 26 -1.780 -2.856 -5.155 191 HE1 TRP 26 1HE TRP 26 0.018 -3.694 -6.789 192 HE3 TRP 26 3HE TRP 26 -1.286 -7.639 -3.431 193 HZ2 TRP 26 2HZ TRP 26 1.452 -6.076 -7.298 194 HZ3 TRP 26 3HZ TRP 26 0.319 -9.135 -4.549 195 HH2 TRP 26 HH TRP 26 1.660 -8.368 -6.440 196 H HIS 27 H HIS 27 -3.519 -6.045 -1.330 197 HA HIS 27 HA HIS 27 -6.055 -5.091 -0.181 198 1HB HIS 27 2HB HIS 27 -4.712 -7.722 0.083 199 2HB HIS 27 1HB HIS 27 -5.305 -7.018 1.581 200 HD2 HIS 27 2HD HIS 27 -8.183 -5.989 0.857 201 HE1 HIS 27 1HE HIS 27 -8.752 -9.795 -0.917 202 HE2 HIS 27 2HE HIS 27 -9.905 -7.827 0.207 203 H GLU 28 H GLU 28 -5.858 -4.375 2.029 204 HA GLU 28 HA GLU 28 -3.582 -2.805 2.543 205 1HB GLU 28 2HB GLU 28 -6.093 -3.525 3.908 206 2HB GLU 28 1HB GLU 28 -4.786 -3.022 4.961 207 1HG GLU 28 2HG GLU 28 -4.591 -0.925 3.766 208 2HG GLU 28 1HG GLU 28 -5.849 -1.433 2.640 209 H ASP 29 H ASP 29 -4.566 -6.012 3.629 210 HA ASP 29 HA ASP 29 -2.184 -6.175 5.322 211 1HB ASP 29 2HB ASP 29 -4.348 -6.624 6.392 212 2HB ASP 29 1HB ASP 29 -4.644 -7.929 5.248 213 H CYS 30 H CYS 30 -3.134 -7.092 2.308 214 HA CYS 30 HA CYS 30 -1.755 -9.645 2.258 215 1HB CYS 30 2HB CYS 30 -3.328 -8.061 0.282 216 2HB CYS 30 1HB CYS 30 -2.171 -9.244 -0.319 217 H LEU 31 H LEU 31 -1.335 -6.423 0.829 218 HA LEU 31 HA LEU 31 1.164 -6.945 -0.359 219 1HB LEU 31 2HB LEU 31 -0.531 -4.874 -0.481 220 2HB LEU 31 1HB LEU 31 0.610 -4.216 0.677 221 HG LEU 31 HG LEU 31 1.655 -5.365 -1.874 222 1HD1 LEU 31 1HD1 LEU 31 -0.208 -3.176 -1.726 223 2HD1 LEU 31 2HD1 LEU 31 1.364 -2.630 -2.317 224 3HD1 LEU 31 3HD1 LEU 31 0.519 -3.943 -3.141 225 1HD2 LEU 31 1HD2 LEU 31 3.383 -3.712 -1.555 226 2HD2 LEU 31 2HD2 LEU 31 2.506 -3.009 -0.197 227 3HD2 LEU 31 3HD2 LEU 31 3.172 -4.637 -0.068 228 H SER 32 H SER 32 2.930 -7.559 0.659 229 HA SER 32 HA SER 32 3.586 -6.301 3.236 230 1HB SER 32 2HB SER 32 4.788 -8.861 3.180 231 2HB SER 32 1HB SER 32 3.479 -8.314 4.226 232 HG SER 32 HG SER 32 2.073 -8.874 2.347 233 H CYS 33 H CYS 33 6.049 -6.747 3.701 234 HA CYS 33 HA CYS 33 7.461 -5.539 1.566 235 1HB CYS 33 2HB CYS 33 7.959 -5.238 4.013 236 2HB CYS 33 1HB CYS 33 8.667 -6.848 3.997 237 H ASP 34 H ASP 34 9.487 -6.326 0.746 238 HA ASP 34 HA ASP 34 9.388 -9.176 0.023 239 1HB ASP 34 2HB ASP 34 9.373 -7.175 -1.697 240 2HB ASP 34 1HB ASP 34 11.103 -7.174 -1.389 241 H LEU 35 H LEU 35 11.278 -6.584 1.339 242 HA LEU 35 HA LEU 35 13.674 -8.212 1.546 243 1HB LEU 35 2HB LEU 35 13.748 -5.771 0.991 244 2HB LEU 35 1HB LEU 35 13.195 -5.437 2.623 245 HG LEU 35 HG LEU 35 15.217 -6.445 3.541 246 1HD1 LEU 35 1HD1 LEU 35 16.339 -6.661 0.776 247 2HD1 LEU 35 2HD1 LEU 35 16.912 -7.395 2.275 248 3HD1 LEU 35 3HD1 LEU 35 15.449 -8.002 1.499 249 1HD2 LEU 35 1HD2 LEU 35 15.546 -4.186 3.301 250 2HD2 LEU 35 2HD2 LEU 35 16.879 -4.827 2.342 251 3HD2 LEU 35 3HD2 LEU 35 15.419 -4.242 1.545 252 H CYS 36 H CYS 36 11.692 -6.358 3.891 253 HA CYS 36 HA CYS 36 12.703 -7.774 6.152 254 1HB CYS 36 2HB CYS 36 10.027 -6.379 6.036 255 2HB CYS 36 1HB CYS 36 11.048 -6.649 7.441 256 H GLY 37 H GLY 37 9.871 -8.042 4.090 257 1HA GLY 37 1HA GLY 37 8.778 -9.979 3.452 258 2HA GLY 37 2HA GLY 37 9.752 -10.874 4.614 259 H CYS 38 H CYS 38 8.547 -8.407 6.355 260 HA CYS 38 HA CYS 38 6.566 -10.130 7.543 261 1HB CYS 38 2HB CYS 38 6.845 -7.394 8.595 262 2HB CYS 38 1HB CYS 38 6.901 -8.941 9.436 263 HG CYS 38 HG CYS 38 9.477 -9.193 9.554 264 H ARG 39 H ARG 39 6.215 -6.619 7.202 265 HA ARG 39 HA ARG 39 3.945 -6.864 5.435 266 1HB ARG 39 2HB ARG 39 3.567 -6.873 8.295 267 2HB ARG 39 1HB ARG 39 2.844 -5.430 7.597 268 1HG ARG 39 2HG ARG 39 1.336 -6.636 6.330 269 2HG ARG 39 1HG ARG 39 2.308 -8.108 6.386 270 1HD ARG 39 2HD ARG 39 1.819 -8.267 8.820 271 2HD ARG 39 1HD ARG 39 0.745 -6.879 8.650 272 HE ARG 39 HE ARG 39 -0.810 -8.210 7.569 273 1HH1 ARG 39 2HH1 ARG 39 2.129 -10.024 8.220 274 2HH1 ARG 39 1HH1 ARG 39 1.422 -11.553 7.768 275 1HH2 ARG 39 2HH2 ARG 39 -1.719 -10.206 6.968 276 2HH2 ARG 39 1HH2 ARG 39 -0.754 -11.657 7.045 277 H LEU 40 H LEU 40 2.825 -4.308 6.531 278 HA LEU 40 HA LEU 40 4.997 -2.490 5.721 279 1HB LEU 40 2HB LEU 40 2.124 -1.764 5.318 280 2HB LEU 40 1HB LEU 40 3.544 -1.140 4.505 281 HG LEU 40 HG LEU 40 2.580 -3.955 4.074 282 1HD1 LEU 40 1HD1 LEU 40 0.705 -2.887 3.330 283 2HD1 LEU 40 2HD1 LEU 40 1.567 -1.396 2.955 284 3HD1 LEU 40 3HD1 LEU 40 1.703 -2.787 1.879 285 1HD2 LEU 40 1HD2 LEU 40 4.740 -2.292 3.067 286 2HD2 LEU 40 2HD2 LEU 40 4.507 -4.034 2.945 287 3HD2 LEU 40 3HD2 LEU 40 3.746 -2.959 1.775 288 H GLY 41 H GLY 41 5.465 -2.458 8.014 289 1HA GLY 41 1HA GLY 41 3.453 -1.035 9.627 290 2HA GLY 41 2HA GLY 41 4.761 -2.027 10.270 291 H GLU 42 H GLU 42 5.585 0.038 7.677 292 HA GLU 42 HA GLU 42 7.006 1.771 9.568 293 1HB GLU 42 2HB GLU 42 8.643 2.129 7.922 294 2HB GLU 42 1HB GLU 42 8.261 0.419 7.816 295 1HG GLU 42 2HG GLU 42 7.743 0.615 5.675 296 2HG GLU 42 1HG GLU 42 6.595 1.914 6.018 297 H VAL 43 H VAL 43 7.511 3.849 7.598 298 HA VAL 43 HA VAL 43 5.181 5.451 7.967 299 HB VAL 43 HB VAL 43 7.376 6.005 5.973 300 1HG1 VAL 43 1HG1 VAL 43 5.437 7.723 7.503 301 2HG1 VAL 43 2HG1 VAL 43 6.839 8.373 6.653 302 3HG1 VAL 43 3HG1 VAL 43 5.578 7.530 5.755 303 1HG2 VAL 43 1HG2 VAL 43 8.718 5.705 7.803 304 2HG2 VAL 43 2HG2 VAL 43 8.253 7.390 8.045 305 3HG2 VAL 43 3HG2 VAL 43 7.438 6.111 8.946 306 H GLY 44 H GLY 44 3.353 4.884 6.967 307 1HA GLY 44 1HA GLY 44 3.554 3.930 4.186 308 2HA GLY 44 2HA GLY 44 2.294 3.477 5.320 309 H ARG 45 H ARG 45 3.623 6.332 3.666 310 HA ARG 45 HA ARG 45 0.832 7.191 3.248 311 1HB ARG 45 2HB ARG 45 1.947 9.520 2.843 312 2HB ARG 45 1HB ARG 45 1.608 8.988 4.481 313 1HG ARG 45 2HG ARG 45 3.801 8.804 5.021 314 2HG ARG 45 1HG ARG 45 4.275 8.335 3.387 315 1HD ARG 45 2HD ARG 45 5.022 10.634 4.238 316 2HD ARG 45 1HD ARG 45 4.302 10.543 2.631 317 HE ARG 45 HE ARG 45 2.205 11.345 3.674 318 1HH1 ARG 45 2HH1 ARG 45 5.249 11.898 5.341 319 2HH1 ARG 45 1HH1 ARG 45 4.663 13.307 6.181 320 1HH2 ARG 45 2HH2 ARG 45 1.439 13.147 4.806 321 2HH2 ARG 45 1HH2 ARG 45 2.480 13.998 5.910 322 H ARG 46 H ARG 46 4.081 6.914 1.951 323 HA ARG 46 HA ARG 46 2.915 6.512 -0.686 324 1HB ARG 46 2HB ARG 46 4.909 7.743 -1.681 325 2HB ARG 46 1HB ARG 46 3.662 8.735 -0.941 326 1HG ARG 46 2HG ARG 46 5.182 8.616 1.164 327 2HG ARG 46 1HG ARG 46 6.433 8.178 0.000 328 1HD ARG 46 2HD ARG 46 4.760 10.685 0.006 329 2HD ARG 46 1HD ARG 46 6.478 10.559 0.376 330 HE ARG 46 HE ARG 46 6.796 9.899 -1.995 331 1HH1 ARG 46 2HH1 ARG 46 3.945 11.693 -1.034 332 2HH1 ARG 46 1HH1 ARG 46 3.677 12.371 -2.615 333 1HH2 ARG 46 2HH2 ARG 46 6.448 10.780 -4.086 334 2HH2 ARG 46 1HH2 ARG 46 5.063 11.799 -4.361 335 H LEU 47 H LEU 47 3.290 4.346 -0.669 336 HA LEU 47 HA LEU 47 5.781 3.325 0.381 337 1HB LEU 47 2HB LEU 47 3.252 2.341 0.350 338 2HB LEU 47 1HB LEU 47 3.952 1.470 -1.002 339 HG LEU 47 HG LEU 47 5.803 1.317 1.148 340 1HD1 LEU 47 1HD1 LEU 47 3.687 1.878 2.472 341 2HD1 LEU 47 2HD1 LEU 47 3.126 0.271 2.000 342 3HD1 LEU 47 3HD1 LEU 47 4.605 0.448 2.946 343 1HD2 LEU 47 1HD2 LEU 47 4.064 -0.983 0.472 344 2HD2 LEU 47 2HD2 LEU 47 5.002 -0.266 -0.841 345 3HD2 LEU 47 3HD2 LEU 47 5.821 -0.881 0.596 346 H TYR 48 H TYR 48 7.536 3.357 -0.833 347 HA TYR 48 HA TYR 48 7.355 3.249 -3.723 348 1HB TYR 48 2HB TYR 48 9.787 3.424 -1.931 349 2HB TYR 48 1HB TYR 48 9.800 3.553 -3.684 350 HD1 TYR 48 1HD TYR 48 8.097 5.106 -0.770 351 HD2 TYR 48 2HD TYR 48 9.944 5.683 -4.580 352 HE1 TYR 48 1HE TYR 48 7.775 7.533 -0.542 353 HE2 TYR 48 2HE TYR 48 9.592 8.120 -4.360 354 HH TYR 48 HH TYR 48 9.261 9.740 -1.943 355 H TYR 49 H TYR 49 6.816 1.231 -4.343 356 HA TYR 49 HA TYR 49 8.317 -1.045 -3.318 357 1HB TYR 49 2HB TYR 49 6.800 -2.428 -4.476 358 2HB TYR 49 1HB TYR 49 5.800 -1.093 -3.895 359 HD1 TYR 49 1HD TYR 49 5.292 0.802 -5.545 360 HD2 TYR 49 2HD TYR 49 6.871 -2.962 -6.747 361 HE1 TYR 49 1HE TYR 49 4.551 1.234 -7.848 362 HE2 TYR 49 2HE TYR 49 6.141 -2.535 -9.053 363 HH TYR 49 HH TYR 49 5.388 -0.961 -10.483 364 H LYS 50 H LYS 50 9.644 -2.329 -4.699 365 HA LYS 50 HA LYS 50 10.899 -0.727 -6.801 366 1HB LYS 50 2HB LYS 50 12.082 -2.214 -4.919 367 2HB LYS 50 1HB LYS 50 11.903 -3.454 -6.153 368 1HG LYS 50 2HG LYS 50 14.015 -2.588 -6.568 369 2HG LYS 50 1HG LYS 50 13.001 -1.738 -7.733 370 1HD LYS 50 2HD LYS 50 13.179 -0.361 -5.170 371 2HD LYS 50 1HD LYS 50 14.750 -0.574 -5.942 372 1HE LYS 50 2HE LYS 50 13.125 0.225 -8.021 373 2HE LYS 50 1HE LYS 50 12.527 1.170 -6.655 374 1HZ LYS 50 1HZ LYS 50 14.971 1.438 -8.134 375 2HZ LYS 50 2HZ LYS 50 15.240 1.380 -6.463 376 3HZ LYS 50 3HZ LYS 50 14.203 2.552 -7.109 377 H LEU 51 H LEU 51 11.359 -1.658 -8.857 378 HA LEU 51 HA LEU 51 9.567 -2.117 -10.589 379 1HB LEU 51 2HB LEU 51 11.280 -4.237 -11.271 380 2HB LEU 51 1HB LEU 51 11.329 -2.578 -11.840 381 HG LEU 51 HG LEU 51 12.603 -2.306 -9.466 382 1HD1 LEU 51 1HD1 LEU 51 13.223 -5.080 -10.459 383 2HD1 LEU 51 2HD1 LEU 51 14.216 -4.184 -9.307 384 3HD1 LEU 51 3HD1 LEU 51 12.560 -4.626 -8.888 385 1HD2 LEU 51 1HD2 LEU 51 14.114 -1.508 -10.864 386 2HD2 LEU 51 2HD2 LEU 51 14.539 -3.139 -11.385 387 3HD2 LEU 51 3HD2 LEU 51 13.248 -2.260 -12.205 388 H GLY 52 H GLY 52 10.780 -5.041 -8.974 389 1HA GLY 52 1HA GLY 52 8.102 -6.226 -9.350 390 2HA GLY 52 2HA GLY 52 9.554 -7.139 -9.736 391 H ARG 53 H ARG 53 9.529 -4.973 -7.032 392 HA ARG 53 HA ARG 53 9.106 -7.189 -5.157 393 1HB ARG 53 2HB ARG 53 11.421 -5.294 -4.791 394 2HB ARG 53 1HB ARG 53 11.111 -6.806 -3.954 395 1HG ARG 53 2HG ARG 53 11.317 -7.555 -6.603 396 2HG ARG 53 1HG ARG 53 12.544 -6.301 -6.415 397 1HD ARG 53 2HD ARG 53 13.750 -7.523 -4.891 398 2HD ARG 53 1HD ARG 53 12.336 -8.404 -4.320 399 HE ARG 53 HE ARG 53 13.758 -8.953 -6.845 400 1HH1 ARG 53 2HH1 ARG 53 11.827 -10.013 -4.115 401 2HH1 ARG 53 1HH1 ARG 53 11.745 -11.666 -4.659 402 1HH2 ARG 53 2HH2 ARG 53 13.657 -11.121 -7.555 403 2HH2 ARG 53 1HH2 ARG 53 12.797 -12.301 -6.601 404 H LYS 54 H LYS 54 7.425 -6.491 -4.004 405 HA LYS 54 HA LYS 54 7.076 -3.652 -3.469 406 1HB LYS 54 2HB LYS 54 4.985 -4.467 -2.272 407 2HB LYS 54 1HB LYS 54 5.054 -4.753 -4.005 408 1HG LYS 54 2HG LYS 54 6.001 -7.084 -3.286 409 2HG LYS 54 1HG LYS 54 5.213 -6.701 -1.754 410 1HD LYS 54 2HD LYS 54 3.145 -6.985 -2.606 411 2HD LYS 54 1HD LYS 54 3.567 -6.220 -4.140 412 1HE LYS 54 2HE LYS 54 3.525 -8.258 -5.034 413 2HE LYS 54 1HE LYS 54 5.019 -8.578 -4.150 414 1HZ LYS 54 1HZ LYS 54 3.980 -9.972 -2.783 415 2HZ LYS 54 2HZ LYS 54 2.696 -9.960 -3.892 416 3HZ LYS 54 3HZ LYS 54 2.662 -8.932 -2.545 417 H LEU 55 H LEU 55 8.181 -2.769 -1.845 418 HA LEU 55 HA LEU 55 8.252 -4.122 0.746 419 1HB LEU 55 2HB LEU 55 10.563 -4.231 0.928 420 2HB LEU 55 1HB LEU 55 10.265 -4.740 -0.721 421 HG LEU 55 HG LEU 55 11.080 -1.929 0.007 422 1HD1 LEU 55 1HD1 LEU 55 13.339 -2.531 -0.572 423 2HD1 LEU 55 2HD1 LEU 55 12.772 -3.583 0.727 424 3HD1 LEU 55 3HD1 LEU 55 12.844 -4.186 -0.930 425 1HD2 LEU 55 1HD2 LEU 55 10.903 -1.478 -2.166 426 2HD2 LEU 55 2HD2 LEU 55 11.815 -2.923 -2.605 427 3HD2 LEU 55 3HD2 LEU 55 10.074 -3.025 -2.345 428 H CYS 56 H CYS 56 9.523 -2.621 2.381 429 HA CYS 56 HA CYS 56 8.148 -0.144 2.504 430 1HB CYS 56 2HB CYS 56 10.653 -0.586 4.079 431 2HB CYS 56 1HB CYS 56 9.151 0.182 4.571 432 H ARG 57 H ARG 57 9.084 1.978 2.542 433 HA ARG 57 HA ARG 57 10.860 2.385 0.316 434 1HB ARG 57 2HB ARG 57 9.389 4.130 0.348 435 2HB ARG 57 1HB ARG 57 9.229 4.106 2.096 436 1HG ARG 57 2HG ARG 57 10.283 6.104 1.817 437 2HG ARG 57 1HG ARG 57 11.684 5.053 2.011 438 1HD ARG 57 2HD ARG 57 12.285 5.220 -0.198 439 2HD ARG 57 1HD ARG 57 10.630 5.496 -0.740 440 HE ARG 57 HE ARG 57 11.371 7.707 0.779 441 1HH1 ARG 57 2HH1 ARG 57 12.329 6.197 -2.255 442 2HH1 ARG 57 1HH1 ARG 57 12.868 7.686 -2.966 443 1HH2 ARG 57 2HH2 ARG 57 12.109 9.643 -0.158 444 2HH2 ARG 57 1HH2 ARG 57 12.751 9.644 -1.773 445 H ARG 58 H ARG 58 11.198 2.235 3.782 446 HA ARG 58 HA ARG 58 13.668 3.654 3.841 447 1HB ARG 58 2HB ARG 58 12.300 1.886 5.856 448 2HB ARG 58 1HB ARG 58 13.850 2.648 6.171 449 1HG ARG 58 2HG ARG 58 11.168 3.756 6.281 450 2HG ARG 58 1HG ARG 58 12.661 4.327 7.020 451 1HD ARG 58 2HD ARG 58 12.469 4.736 4.111 452 2HD ARG 58 1HD ARG 58 11.297 5.633 5.068 453 HE ARG 58 HE ARG 58 13.914 5.885 6.168 454 1HH1 ARG 58 2HH1 ARG 58 11.885 7.043 3.562 455 2HH1 ARG 58 1HH1 ARG 58 12.760 8.528 3.361 456 1HH2 ARG 58 2HH2 ARG 58 15.009 7.872 5.977 457 2HH2 ARG 58 1HH2 ARG 58 14.511 9.024 4.771 458 H ASP 59 H ASP 59 12.887 0.217 3.589 459 HA ASP 59 HA ASP 59 15.751 -0.403 3.641 460 1HB ASP 59 2HB ASP 59 14.501 -2.787 3.036 461 2HB ASP 59 1HB ASP 59 14.956 -2.260 4.649 462 H TYR 60 H TYR 60 13.181 0.095 1.474 463 HA TYR 60 HA TYR 60 14.491 -0.955 -0.855 464 1HB TYR 60 2HB TYR 60 12.396 -0.633 -1.556 465 2HB TYR 60 1HB TYR 60 12.030 0.413 -0.198 466 HD1 TYR 60 1HD TYR 60 12.817 2.923 -0.430 467 HD2 TYR 60 2HD TYR 60 12.402 0.179 -3.672 468 HE1 TYR 60 1HE TYR 60 12.490 4.792 -1.988 469 HE2 TYR 60 2HE TYR 60 12.097 2.055 -5.233 470 HH TYR 60 HH TYR 60 12.807 4.597 -5.221 471 H LEU 61 H LEU 61 14.608 1.873 1.120 472 HA LEU 61 HA LEU 61 15.640 3.747 -0.588 473 1HB LEU 61 2HB LEU 61 14.890 3.820 1.895 474 2HB LEU 61 1HB LEU 61 16.608 3.613 2.217 475 HG LEU 61 HG LEU 61 16.299 5.644 0.254 476 1HD1 LEU 61 1HD1 LEU 61 13.978 5.613 1.325 477 2HD1 LEU 61 2HD1 LEU 61 14.780 6.304 2.743 478 3HD1 LEU 61 3HD1 LEU 61 14.825 7.165 1.202 479 1HD2 LEU 61 1HD2 LEU 61 17.316 7.013 2.124 480 2HD2 LEU 61 2HD2 LEU 61 17.244 5.552 3.105 481 3HD2 LEU 61 3HD2 LEU 61 18.216 5.574 1.628 482 H ARG 62 H ARG 62 17.314 0.988 0.731 483 HA ARG 62 HA ARG 62 19.942 1.998 0.468 484 1HB ARG 62 2HB ARG 62 18.730 -0.547 0.926 485 2HB ARG 62 1HB ARG 62 19.933 -0.728 -0.341 486 1HG ARG 62 2HG ARG 62 20.307 0.146 2.496 487 2HG ARG 62 1HG ARG 62 21.087 -1.172 1.627 488 1HD ARG 62 2HD ARG 62 21.572 1.785 1.310 489 2HD ARG 62 1HD ARG 62 22.692 0.570 1.917 490 HE ARG 62 HE ARG 62 22.157 1.240 -0.826 491 1HH1 ARG 62 2HH1 ARG 62 23.319 -1.293 1.327 492 2HH1 ARG 62 1HH1 ARG 62 24.163 -2.144 0.062 493 1HH2 ARG 62 2HH2 ARG 62 23.276 0.130 -2.459 494 2HH2 ARG 62 1HH2 ARG 62 24.142 -1.331 -2.083 495 H LEU 63 H LEU 63 17.606 0.955 -1.876 496 HA LEU 63 HA LEU 63 19.509 1.542 -4.027 497 1HB LEU 63 2HB LEU 63 18.529 -0.235 -5.404 498 2HB LEU 63 1HB LEU 63 19.307 -0.865 -3.965 499 HG LEU 63 HG LEU 63 16.371 -0.371 -3.849 500 1HD1 LEU 63 1HD1 LEU 63 16.829 -3.037 -4.731 501 2HD1 LEU 63 2HD1 LEU 63 15.836 -1.782 -5.470 502 3HD1 LEU 63 3HD1 LEU 63 17.539 -1.924 -5.902 503 1HD2 LEU 63 1HD2 LEU 63 17.937 -2.729 -2.851 504 2HD2 LEU 63 2HD2 LEU 63 17.882 -1.207 -1.958 505 3HD2 LEU 63 3HD2 LEU 63 16.393 -2.098 -2.276 506 H GLY 64 H GLY 64 16.993 2.666 -2.513 507 1HA GLY 64 1HA GLY 64 15.649 3.620 -4.952 508 2HA GLY 64 2HA GLY 64 14.719 2.898 -3.650 509 H GLY 65 H GLY 65 17.231 4.566 -2.278 510 1HA GLY 65 1HA GLY 65 15.492 6.591 -1.231 511 2HA GLY 65 2HA GLY 65 17.222 6.469 -0.964 512 H SER 66 H SER 66 15.492 6.832 -3.993 513 HA SER 66 HA SER 66 16.090 8.140 -5.822 514 1HB SER 66 2HB SER 66 15.050 10.302 -4.035 515 2HB SER 66 1HB SER 66 14.647 9.951 -5.718 516 HG SER 66 HG SER 66 13.621 8.008 -4.952 517 H GLY 67 H GLY 67 18.514 7.953 -4.409 518 1HA GLY 67 1HA GLY 67 19.689 10.419 -5.406 519 2HA GLY 67 2HA GLY 67 20.101 9.975 -3.753 520 H GLY 68 H GLY 68 21.983 8.988 -3.614 521 1HA GLY 68 1HA GLY 68 23.672 7.481 -3.964 522 2HA GLY 68 2HA GLY 68 22.479 6.523 -4.826 523 H HIS 69 H HIS 69 22.475 6.480 -7.013 524 HA HIS 69 HA HIS 69 24.880 6.956 -8.357 525 1HB HIS 69 2HB HIS 69 22.400 5.727 -8.923 526 2HB HIS 69 1HB HIS 69 22.675 6.899 -10.205 527 HD2 HIS 69 2HD HIS 69 25.496 4.689 -8.594 528 HE1 HIS 69 1HE HIS 69 25.078 3.750 -12.700 529 HE2 HIS 69 2HE HIS 69 26.562 3.518 -10.655 530 H MET 70 H MET 70 21.817 8.755 -8.434 531 HA MET 70 HA MET 70 22.745 10.727 -10.249 532 1HB MET 70 2HB MET 70 20.390 10.499 -8.415 533 2HB MET 70 1HB MET 70 20.717 12.018 -9.238 534 1HG MET 70 2HG MET 70 20.896 9.967 -11.167 535 2HG MET 70 1HG MET 70 19.434 9.683 -10.226 536 1HE MET 70 1HE MET 70 17.716 11.191 -13.125 537 2HE MET 70 2HE MET 70 18.221 9.759 -12.230 538 3HE MET 70 3HE MET 70 17.081 10.898 -11.508 539 H GLY 71 H GLY 71 23.069 10.361 -6.820 540 1HA GLY 71 1HA GLY 71 25.061 11.799 -6.106 541 2HA GLY 71 2HA GLY 71 24.040 13.139 -6.607 542 H SER 72 H SER 72 23.676 14.154 -4.714 543 HA SER 72 HA SER 72 23.023 12.682 -2.322 544 1HB SER 72 2HB SER 72 22.930 15.662 -2.864 545 2HB SER 72 1HB SER 72 22.822 14.895 -1.279 546 HG SER 72 HG SER 72 24.920 14.522 -1.285 547 H GLY 73 H GLY 73 21.094 11.878 -1.955 548 1HA GLY 73 1HA GLY 73 18.753 13.093 -3.283 549 2HA GLY 73 2HA GLY 73 18.825 11.462 -2.622 550 H GLY 74 H GLY 74 20.230 12.535 -0.230 551 1HA GLY 74 1HA GLY 74 18.606 14.390 1.137 552 2HA GLY 74 2HA GLY 74 18.061 12.756 1.502 553 H ASP 75 H ASP 75 20.635 15.074 1.833 554 HA ASP 75 HA ASP 75 22.381 13.234 3.220 555 1HB ASP 75 2HB ASP 75 23.154 15.174 1.770 556 2HB ASP 75 1HB ASP 75 22.644 16.239 3.075 557 H VAL 76 H VAL 76 21.376 12.545 5.050 558 HA VAL 76 HA VAL 76 20.976 14.555 7.151 559 HB VAL 76 HB VAL 76 19.168 12.461 7.671 560 1HG1 VAL 76 1HG1 VAL 76 17.636 14.159 7.957 561 2HG1 VAL 76 2HG1 VAL 76 19.163 15.024 8.129 562 3HG1 VAL 76 3HG1 VAL 76 18.272 15.101 6.607 563 1HG2 VAL 76 1HG2 VAL 76 18.918 11.708 5.503 564 2HG2 VAL 76 2HG2 VAL 76 17.627 12.901 5.636 565 3HG2 VAL 76 3HG2 VAL 76 19.129 13.315 4.811 566 H MET 77 H MET 77 21.090 13.665 9.321 567 HA MET 77 HA MET 77 23.174 11.730 9.559 568 1HB MET 77 2HB MET 77 21.504 12.983 11.736 569 2HB MET 77 1HB MET 77 23.053 12.170 11.936 570 1HG MET 77 2HG MET 77 24.063 13.898 10.469 571 2HG MET 77 1HG MET 77 22.524 14.740 10.494 572 1HE MET 77 1HE MET 77 23.166 17.222 12.336 573 2HE MET 77 2HE MET 77 21.837 16.213 11.768 574 3HE MET 77 3HE MET 77 22.083 16.455 13.498 575 H VAL 78 H VAL 78 23.051 9.632 10.004 576 HA VAL 78 HA VAL 78 22.215 7.543 10.297 577 HB VAL 78 HB VAL 78 20.233 8.813 12.185 578 1HG1 VAL 78 1HG1 VAL 78 21.110 6.078 11.597 579 2HG1 VAL 78 2HG1 VAL 78 21.079 6.487 13.313 580 3HG1 VAL 78 3HG1 VAL 78 19.620 6.660 12.338 581 1HG2 VAL 78 1HG2 VAL 78 23.126 8.108 12.653 582 2HG2 VAL 78 2HG2 VAL 78 22.387 9.702 12.763 583 3HG2 VAL 78 3HG2 VAL 78 21.969 8.455 13.936 584 H VAL 79 H VAL 79 21.399 7.375 8.150 585 HA VAL 79 HA VAL 79 18.475 7.683 7.921 586 HB VAL 79 HB VAL 79 20.050 6.923 5.525 587 1HG1 VAL 79 1HG1 VAL 79 17.580 7.297 5.559 588 2HG1 VAL 79 2HG1 VAL 79 17.896 9.000 5.900 589 3HG1 VAL 79 3HG1 VAL 79 18.450 8.285 4.385 590 1HG2 VAL 79 1HG2 VAL 79 21.317 8.748 5.317 591 2HG2 VAL 79 2HG2 VAL 79 20.023 9.812 5.872 592 3HG2 VAL 79 3HG2 VAL 79 21.051 8.988 7.044 593 H GLY 80 H GLY 80 21.003 5.440 8.270 594 1HA GLY 80 1HA GLY 80 20.228 3.173 8.961 595 2HA GLY 80 2HA GLY 80 19.187 3.225 7.543 596 H GLU 81 H GLU 81 22.138 2.235 8.745 597 HA GLU 81 HA GLU 81 23.903 1.122 7.832 598 1HB GLU 81 2HB GLU 81 22.150 1.323 5.411 599 2HB GLU 81 1HB GLU 81 23.821 0.810 5.227 600 1HG GLU 81 2HG GLU 81 22.024 -0.521 7.212 601 2HG GLU 81 1HG GLU 81 21.986 -0.970 5.508 602 HA PRO 82 HA PRO 82 26.785 4.263 6.887 603 1HB PRO 82 2HB PRO 82 28.297 2.970 4.884 604 2HB PRO 82 1HB PRO 82 28.637 3.039 6.611 605 1HG PRO 82 2HG PRO 82 27.409 0.879 5.008 606 2HG PRO 82 1HG PRO 82 28.318 0.772 6.525 607 1HD PRO 82 2HD PRO 82 25.633 0.436 6.385 608 2HD PRO 82 1HD PRO 82 26.442 1.113 7.813 609 H THR 83 H THR 83 27.053 5.935 5.554 610 HA THR 83 HA THR 83 25.347 5.930 3.180 611 HB THR 83 HB THR 83 26.085 8.546 3.599 612 HG1 THR 83 1HG THR 83 26.919 8.547 5.559 613 1HG2 THR 83 1HG2 THR 83 23.864 8.861 3.984 614 2HG2 THR 83 2HG2 THR 83 23.776 7.557 5.169 615 3HG2 THR 83 3HG2 THR 83 23.783 7.184 3.445 616 H LEU 84 H LEU 84 26.017 6.631 1.193 617 HA LEU 84 HA LEU 84 28.867 6.600 0.648 618 1HB LEU 84 2HB LEU 84 26.460 6.930 -1.148 619 2HB LEU 84 1HB LEU 84 28.118 6.933 -1.718 620 HG LEU 84 HG LEU 84 27.224 4.588 -0.129 621 1HD1 LEU 84 1HD1 LEU 84 26.406 3.570 -2.294 622 2HD1 LEU 84 2HD1 LEU 84 25.340 4.745 -1.519 623 3HD1 LEU 84 3HD1 LEU 84 26.308 5.218 -2.916 624 1HD2 LEU 84 1HD2 LEU 84 29.226 3.925 -0.827 625 2HD2 LEU 84 2HD2 LEU 84 28.579 3.862 -2.464 626 3HD2 LEU 84 3HD2 LEU 84 29.377 5.325 -1.889 627 H MET 85 H MET 85 29.315 8.444 -1.226 628 HA MET 85 HA MET 85 29.649 10.824 0.181 629 1HB MET 85 2HB MET 85 30.938 10.236 -1.820 630 2HB MET 85 1HB MET 85 29.499 10.421 -2.812 631 1HG MET 85 2HG MET 85 29.424 12.818 -2.050 632 2HG MET 85 1HG MET 85 31.025 12.556 -1.359 633 1HE MET 85 1HE MET 85 29.082 12.794 -5.002 634 2HE MET 85 2HE MET 85 30.224 11.695 -5.773 635 3HE MET 85 3HE MET 85 29.284 11.157 -4.382 636 H GLY 86 H GLY 86 27.082 9.832 -2.009 637 1HA GLY 86 1HA GLY 86 25.556 12.254 -1.354 638 2HA GLY 86 2HA GLY 86 25.128 11.076 -2.589 639 H GLY 87 H GLY 87 23.870 12.193 0.049 640 1HA GLY 87 1HA GLY 87 23.447 9.715 1.528 641 2HA GLY 87 2HA GLY 87 22.769 11.299 1.921 642 H GLU 88 H GLU 88 21.437 8.669 1.680 643 HA GLU 88 HA GLU 88 19.593 7.696 0.907 644 1HB GLU 88 2HB GLU 88 19.170 10.581 0.384 645 2HB GLU 88 1HB GLU 88 18.037 9.429 -0.277 646 1HG GLU 88 2HG GLU 88 17.922 8.489 2.108 647 2HG GLU 88 1HG GLU 88 18.650 10.021 2.575 648 H PHE 89 H PHE 89 19.888 6.252 -0.636 649 HA PHE 89 HA PHE 89 20.749 7.188 -3.289 650 1HB PHE 89 2HB PHE 89 21.405 4.470 -2.765 651 2HB PHE 89 1HB PHE 89 22.452 5.824 -3.165 652 HD1 PHE 89 1HD PHE 89 20.744 4.152 -0.299 653 HD2 PHE 89 2HD PHE 89 23.784 6.835 -1.578 654 HE1 PHE 89 1HE PHE 89 21.659 4.193 1.985 655 HE2 PHE 89 2HE PHE 89 24.705 6.893 0.711 656 HZ PHE 89 HZ PHE 89 23.639 5.567 2.494 657 H GLY 90 H GLY 90 19.754 6.447 -5.044 658 1HA GLY 90 1HA GLY 90 18.763 4.002 -5.428 659 2HA GLY 90 2HA GLY 90 17.374 4.841 -4.770 660 H ASP 91 H ASP 91 16.235 6.171 -5.967 661 HA ASP 91 HA ASP 91 16.782 6.042 -8.831 662 1HB ASP 91 2HB ASP 91 14.124 6.241 -8.762 663 2HB ASP 91 1HB ASP 91 14.938 4.709 -8.521 664 H GLU 92 H GLU 92 13.998 7.718 -8.074 665 HA GLU 92 HA GLU 92 15.057 10.336 -7.742 666 1HB GLU 92 2HB GLU 92 13.778 10.899 -10.096 667 2HB GLU 92 1HB GLU 92 15.519 10.771 -9.908 668 1HG GLU 92 2HG GLU 92 15.228 9.402 -11.692 669 2HG GLU 92 1HG GLU 92 15.038 8.225 -10.394 670 H ASP 93 H ASP 93 12.283 8.671 -9.251 671 HA ASP 93 HA ASP 93 10.513 9.982 -7.295 672 1HB ASP 93 2HB ASP 93 10.430 11.235 -9.444 673 2HB ASP 93 1HB ASP 93 9.922 9.756 -10.256 674 H GLU 94 H GLU 94 11.001 7.437 -9.670 675 HA GLU 94 HA GLU 94 10.269 5.295 -9.827 676 1HB GLU 94 2HB GLU 94 10.978 5.797 -7.141 677 2HB GLU 94 1HB GLU 94 9.530 4.803 -7.097 678 1HG GLU 94 2HG GLU 94 12.259 4.111 -7.843 679 2HG GLU 94 1HG GLU 94 10.945 3.092 -7.261 680 H ARG 95 H ARG 95 8.405 3.997 -7.972 681 HA ARG 95 HA ARG 95 5.869 5.248 -8.772 682 1HB ARG 95 2HB ARG 95 6.820 3.059 -10.028 683 2HB ARG 95 1HB ARG 95 6.011 2.282 -8.674 684 1HG ARG 95 2HG ARG 95 3.962 2.741 -9.467 685 2HG ARG 95 1HG ARG 95 4.432 4.333 -10.069 686 1HD ARG 95 2HD ARG 95 4.495 3.492 -12.123 687 2HD ARG 95 1HD ARG 95 5.829 2.455 -11.623 688 HE ARG 95 HE ARG 95 4.033 0.834 -10.934 689 1HH1 ARG 95 2HH1 ARG 95 3.549 3.173 -13.503 690 2HH1 ARG 95 1HH1 ARG 95 2.393 2.194 -14.358 691 1HH2 ARG 95 2HH2 ARG 95 2.490 -0.443 -12.035 692 2HH2 ARG 95 1HH2 ARG 95 1.761 0.155 -13.499 693 H LEU 96 H LEU 96 4.482 5.469 -7.116 694 HA LEU 96 HA LEU 96 5.171 4.057 -4.624 695 1HB LEU 96 2HB LEU 96 3.653 6.227 -3.870 696 2HB LEU 96 1HB LEU 96 5.398 6.099 -3.775 697 HG LEU 96 HG LEU 96 4.485 6.964 -6.404 698 1HD1 LEU 96 1HD1 LEU 96 2.902 8.391 -5.768 699 2HD1 LEU 96 2HD1 LEU 96 3.276 8.170 -4.059 700 3HD1 LEU 96 3HD1 LEU 96 4.192 9.330 -5.019 701 1HD2 LEU 96 1HD2 LEU 96 6.101 8.841 -4.974 702 2HD2 LEU 96 2HD2 LEU 96 6.719 7.210 -4.713 703 3HD2 LEU 96 3HD2 LEU 96 6.525 7.826 -6.354 704 H ILE 97 H ILE 97 3.682 2.964 -3.539 705 HA ILE 97 HA ILE 97 1.022 2.662 -4.699 706 HB ILE 97 HB ILE 97 1.753 1.289 -2.162 707 1HG1 ILE 97 2HG1 ILE 97 2.753 0.215 -4.796 708 2HG1 ILE 97 1HG1 ILE 97 3.770 1.198 -3.746 709 1HG2 ILE 97 1HG2 ILE 97 0.539 -0.574 -3.246 710 2HG2 ILE 97 2HG2 ILE 97 -0.422 0.900 -3.104 711 3HG2 ILE 97 3HG2 ILE 97 0.290 0.456 -4.656 712 1HD1 ILE 97 1HD1 ILE 97 2.428 -1.322 -2.819 713 2HD1 ILE 97 2HD1 ILE 97 4.042 -1.287 -3.535 714 3HD1 ILE 97 3HD1 ILE 97 3.726 -0.420 -2.033 715 H THR 98 H THR 98 -0.880 2.956 -3.430 716 HA THR 98 HA THR 98 -0.650 4.488 -0.980 717 HB THR 98 HB THR 98 -0.598 6.094 -2.975 718 HG1 THR 98 1HG THR 98 -1.506 6.410 -0.641 719 1HG2 THR 98 1HG2 THR 98 -2.479 4.745 -4.131 720 2HG2 THR 98 2HG2 THR 98 -2.504 6.506 -4.234 721 3HG2 THR 98 3HG2 THR 98 -3.559 5.674 -3.091 722 H ARG 99 H ARG 99 -2.747 4.780 0.068 723 HA ARG 99 HA ARG 99 -4.378 2.415 -0.245 724 1HB ARG 99 2HB ARG 99 -4.864 4.728 1.627 725 2HB ARG 99 1HB ARG 99 -5.455 3.081 1.778 726 1HG ARG 99 2HG ARG 99 -2.518 3.502 1.744 727 2HG ARG 99 1HG ARG 99 -3.412 3.973 3.191 728 1HD ARG 99 2HD ARG 99 -3.774 1.276 1.935 729 2HD ARG 99 1HD ARG 99 -2.460 1.590 3.065 730 HE ARG 99 HE ARG 99 -5.214 1.188 3.705 731 1HH1 ARG 99 2HH1 ARG 99 -2.298 2.826 4.754 732 2HH1 ARG 99 1HH1 ARG 99 -2.853 3.016 6.392 733 1HH2 ARG 99 2HH2 ARG 99 -5.907 1.370 5.834 734 2HH2 ARG 99 1HH2 ARG 99 -4.905 2.162 7.014 735 H LEU 100 H LEU 100 -6.336 2.315 -1.168 736 HA LEU 100 HA LEU 100 -7.518 4.841 -2.110 737 1HB LEU 100 2HB LEU 100 -6.426 2.946 -3.723 738 2HB LEU 100 1HB LEU 100 -8.095 2.412 -3.666 739 HG LEU 100 HG LEU 100 -8.792 4.079 -5.009 740 1HD1 LEU 100 1HD1 LEU 100 -6.814 5.952 -3.712 741 2HD1 LEU 100 2HD1 LEU 100 -8.080 6.404 -4.854 742 3HD1 LEU 100 3HD1 LEU 100 -8.512 5.773 -3.264 743 1HD2 LEU 100 1HD2 LEU 100 -7.068 3.314 -6.391 744 2HD2 LEU 100 2HD2 LEU 100 -6.910 5.071 -6.419 745 3HD2 LEU 100 3HD2 LEU 100 -5.822 4.103 -5.422 746 H GLU 101 H GLU 101 -9.855 4.244 -2.948 747 HA GLU 101 HA GLU 101 -11.155 2.744 -0.779 748 1HB GLU 101 2HB GLU 101 -13.098 4.466 -1.633 749 2HB GLU 101 1HB GLU 101 -12.074 4.707 -0.226 750 1HG GLU 101 2HG GLU 101 -10.858 6.330 -1.209 751 2HG GLU 101 1HG GLU 101 -11.006 5.621 -2.818 752 H ASN 102 H ASN 102 -12.717 1.352 -1.262 753 HA ASN 102 HA ASN 102 -13.396 0.962 -4.107 754 1HB ASN 102 2HB ASN 102 -12.166 -0.943 -3.095 755 2HB ASN 102 1HB ASN 102 -13.406 -1.068 -1.848 756 1HD2 ASN 102 1HD2 ASN 102 -14.251 -3.000 -2.268 757 2HD2 ASN 102 2HD2 ASN 102 -14.983 -3.456 -3.777 758 H THR 103 H THR 103 -15.693 -0.213 -4.193 759 HA THR 103 HA THR 103 -17.430 1.211 -2.343 760 HB THR 103 HB THR 103 -19.037 0.443 -4.414 761 HG1 THR 103 1HG THR 103 -17.899 1.509 -6.232 762 1HG2 THR 103 1HG2 THR 103 -18.678 2.592 -2.932 763 2HG2 THR 103 2HG2 THR 103 -19.576 2.660 -4.451 764 3HG2 THR 103 3HG2 THR 103 -17.891 3.179 -4.398 765 H GLN 104 H GLN 104 -17.945 -0.054 -0.963 766 HA GLN 104 HA GLN 104 -19.324 -2.562 -1.571 767 1HB GLN 104 2HB GLN 104 -18.148 -3.879 -0.083 768 2HB GLN 104 1HB GLN 104 -16.861 -2.842 -0.679 769 1HG GLN 104 2HG GLN 104 -16.543 -1.876 1.315 770 2HG GLN 104 1HG GLN 104 -18.267 -1.793 1.666 771 1HE2 GLN 104 1HE2 GLN 104 -19.144 -4.262 1.814 772 2HE2 GLN 104 2HE2 GLN 104 -18.264 -5.207 2.976 773 H PHE 105 H PHE 105 -19.196 0.388 -0.031 774 HA PHE 105 HA PHE 105 -21.349 -0.351 1.796 775 1HB PHE 105 2HB PHE 105 -18.850 1.146 2.241 776 2HB PHE 105 1HB PHE 105 -20.296 1.891 2.913 777 HD1 PHE 105 1HD PHE 105 -21.844 -0.554 3.558 778 HD2 PHE 105 2HD PHE 105 -17.735 0.390 4.171 779 HE1 PHE 105 1HE PHE 105 -21.770 -2.123 5.461 780 HE2 PHE 105 2HE PHE 105 -17.653 -1.176 6.068 781 HZ PHE 105 HZ PHE 105 -19.670 -2.436 6.715 782 H ASP 106 H ASP 106 -22.888 0.154 0.359 783 HA ASP 106 HA ASP 106 -22.983 2.574 -1.157 784 1HB ASP 106 2HB ASP 106 -24.367 0.141 -1.120 785 2HB ASP 106 1HB ASP 106 -25.576 1.350 -0.714 786 H ALA 107 H ALA 107 -24.388 1.414 1.800 787 HA ALA 107 HA ALA 107 -25.394 2.414 3.571 788 1HB ALA 107 1HB ALA 107 -24.301 4.229 4.220 789 2HB ALA 107 2HB ALA 107 -23.655 4.433 2.593 790 3HB ALA 107 3HB ALA 107 -25.182 5.192 3.036 791 H ALA 108 H ALA 108 -27.051 1.483 1.878 792 HA ALA 108 HA ALA 108 -28.712 3.303 0.493 793 1HB ALA 108 1HB ALA 108 -30.102 0.884 1.227 794 2HB ALA 108 2HB ALA 108 -29.563 1.436 -0.359 795 3HB ALA 108 3HB ALA 108 -28.464 0.532 0.680 796 H ASN 109 H ASN 109 -29.105 1.656 3.614 797 HA ASN 109 HA ASN 109 -31.236 3.589 4.253 798 1HB ASN 109 2HB ASN 109 -31.781 1.032 4.092 799 2HB ASN 109 1HB ASN 109 -30.994 0.953 5.666 800 1HD2 ASN 109 1HD2 ASN 109 -33.085 0.238 6.422 801 2HD2 ASN 109 2HD2 ASN 109 -34.299 1.418 6.800 802 H GLY 110 H GLY 110 -28.546 4.211 4.608 803 1HA GLY 110 1HA GLY 110 -27.704 5.527 6.430 804 2HA GLY 110 2HA GLY 110 -28.452 4.391 7.542 805 H ILE 111 H ILE 111 -26.406 4.281 8.612 806 HA ILE 111 HA ILE 111 -24.090 3.271 7.272 807 HB ILE 111 HB ILE 111 -24.437 3.029 10.235 808 1HG1 ILE 111 2HG1 ILE 111 -23.378 5.618 9.469 809 2HG1 ILE 111 1HG1 ILE 111 -25.024 5.413 8.878 810 1HG2 ILE 111 1HG2 ILE 111 -22.053 3.767 10.169 811 2HG2 ILE 111 2HG2 ILE 111 -22.366 2.244 9.339 812 3HG2 ILE 111 3HG2 ILE 111 -22.146 3.726 8.409 813 1HD1 ILE 111 1HD1 ILE 111 -25.314 4.538 11.401 814 2HD1 ILE 111 2HD1 ILE 111 -24.015 5.712 11.618 815 3HD1 ILE 111 3HD1 ILE 111 -25.547 6.215 10.905 816 H ASP 112 H ASP 112 -26.893 1.886 8.660 817 HA ASP 112 HA ASP 112 -25.741 -0.787 8.860 818 1HB ASP 112 2HB ASP 112 -27.544 0.051 10.453 819 2HB ASP 112 1HB ASP 112 -28.660 -0.038 9.093 820 H ASP 113 H ASP 113 -25.110 -0.377 6.557 821 HA ASP 113 HA ASP 113 -27.021 -0.251 4.504 822 1HB ASP 113 2HB ASP 113 -24.523 0.310 4.410 823 2HB ASP 113 1HB ASP 113 -24.263 -1.417 4.178 824 H GLU 114 H GLU 114 -27.363 -1.859 2.818 825 HA GLU 114 HA GLU 114 -27.776 -4.524 3.970 826 1HB GLU 114 2HB GLU 114 -29.663 -3.216 2.865 827 2HB GLU 114 1HB GLU 114 -28.828 -3.483 1.340 828 1HG GLU 114 2HG GLU 114 -29.177 -5.939 2.835 829 2HG GLU 114 1HG GLU 114 -30.709 -5.131 2.509 Start of MODEL 20 1 1H GLY 1 1H GLY 1 -20.029 -6.607 -10.274 2 2H GLY 1 2H GLY 1 -21.573 -7.212 -9.912 3 3H GLY 1 3H GLY 1 -20.866 -7.536 -11.419 4 1HA GLY 1 2HA GLY 1 -20.797 -9.441 -9.863 5 2HA GLY 1 1HA GLY 1 -19.226 -8.931 -10.467 6 H SER 2 H SER 2 -17.720 -8.955 -8.967 7 HA SER 2 HA SER 2 -18.406 -8.831 -6.159 8 1HB SER 2 2HB SER 2 -15.560 -8.830 -6.770 9 2HB SER 2 1HB SER 2 -16.520 -10.035 -5.908 10 HG SER 2 HG SER 2 -15.508 -10.734 -7.945 11 H LEU 3 H LEU 3 -17.103 -7.410 -4.688 12 HA LEU 3 HA LEU 3 -17.418 -4.703 -5.451 13 1HB LEU 3 2HB LEU 3 -15.844 -5.827 -3.135 14 2HB LEU 3 1HB LEU 3 -16.381 -4.166 -3.303 15 HG LEU 3 HG LEU 3 -18.462 -6.289 -3.366 16 1HD1 LEU 3 1HD1 LEU 3 -16.680 -6.622 -1.442 17 2HD1 LEU 3 2HD1 LEU 3 -17.607 -5.319 -0.699 18 3HD1 LEU 3 3HD1 LEU 3 -18.409 -6.820 -1.155 19 1HD2 LEU 3 1HD2 LEU 3 -18.999 -4.094 -1.640 20 2HD2 LEU 3 2HD2 LEU 3 -18.337 -3.469 -3.150 21 3HD2 LEU 3 3HD2 LEU 3 -19.764 -4.505 -3.176 22 H LEU 4 H LEU 4 -14.385 -6.012 -4.200 23 HA LEU 4 HA LEU 4 -12.973 -4.806 -6.477 24 1HB LEU 4 2HB LEU 4 -11.889 -4.806 -3.668 25 2HB LEU 4 1HB LEU 4 -11.268 -3.946 -5.066 26 HG LEU 4 HG LEU 4 -13.951 -3.077 -4.563 27 1HD1 LEU 4 1HD1 LEU 4 -14.126 -2.889 -2.364 28 2HD1 LEU 4 2HD1 LEU 4 -12.649 -3.839 -2.196 29 3HD1 LEU 4 3HD1 LEU 4 -12.563 -2.080 -2.270 30 1HD2 LEU 4 1HD2 LEU 4 -11.938 -1.159 -3.868 31 2HD2 LEU 4 2HD2 LEU 4 -11.447 -2.048 -5.310 32 3HD2 LEU 4 3HD2 LEU 4 -12.996 -1.204 -5.278 33 H THR 5 H THR 5 -10.755 -5.754 -6.738 34 HA THR 5 HA THR 5 -10.503 -8.417 -5.542 35 HB THR 5 HB THR 5 -9.510 -8.907 -8.037 36 HG1 THR 5 1HG THR 5 -11.371 -6.881 -8.248 37 1HG2 THR 5 1HG2 THR 5 -11.756 -10.110 -8.345 38 2HG2 THR 5 2HG2 THR 5 -12.170 -9.452 -6.763 39 3HG2 THR 5 3HG2 THR 5 -10.783 -10.529 -6.935 40 H CYS 6 H CYS 6 -8.559 -8.839 -4.848 41 HA CYS 6 HA CYS 6 -6.483 -6.880 -5.210 42 1HB CYS 6 2HB CYS 6 -6.364 -7.427 -3.026 43 2HB CYS 6 1HB CYS 6 -7.187 -8.963 -3.272 44 H GLY 7 H GLY 7 -4.613 -7.155 -6.288 45 1HA GLY 7 1HA GLY 7 -4.554 -9.335 -8.191 46 2HA GLY 7 2HA GLY 7 -3.469 -7.953 -8.149 47 H GLY 8 H GLY 8 -3.601 -9.252 -5.091 48 1HA GLY 8 1HA GLY 8 -0.998 -10.528 -5.527 49 2HA GLY 8 2HA GLY 8 -1.650 -10.002 -3.982 50 H CYS 9 H CYS 9 -4.183 -11.252 -4.194 51 HA CYS 9 HA CYS 9 -3.399 -14.088 -4.191 52 1HB CYS 9 2HB CYS 9 -4.662 -14.472 -2.196 53 2HB CYS 9 1HB CYS 9 -3.598 -13.100 -1.900 54 H GLN 10 H GLN 10 -5.650 -11.712 -5.155 55 HA GLN 10 HA GLN 10 -7.477 -11.737 -6.486 56 1HB GLN 10 2HB GLN 10 -5.886 -13.991 -7.288 57 2HB GLN 10 1HB GLN 10 -7.592 -14.361 -7.498 58 1HG GLN 10 2HG GLN 10 -6.581 -11.746 -8.477 59 2HG GLN 10 1HG GLN 10 -6.189 -13.200 -9.393 60 1HE2 GLN 10 1HE2 GLN 10 -8.194 -10.732 -9.404 61 2HE2 GLN 10 2HE2 GLN 10 -9.629 -11.472 -10.051 62 H GLN 11 H GLN 11 -7.714 -12.690 -3.661 63 HA GLN 11 HA GLN 11 -9.829 -14.672 -3.798 64 1HB GLN 11 2HB GLN 11 -9.614 -14.899 -1.484 65 2HB GLN 11 1HB GLN 11 -7.978 -14.528 -2.006 66 1HG GLN 11 2HG GLN 11 -7.903 -12.701 -0.752 67 2HG GLN 11 1HG GLN 11 -9.446 -12.125 -1.380 68 1HE2 GLN 11 1HE2 GLN 11 -10.941 -11.849 0.085 69 2HE2 GLN 11 2HE2 GLN 11 -11.088 -12.716 1.579 70 H ASN 12 H ASN 12 -9.846 -11.504 -4.397 71 HA ASN 12 HA ASN 12 -11.482 -9.945 -4.595 72 1HB ASN 12 2HB ASN 12 -13.306 -11.185 -5.151 73 2HB ASN 12 1HB ASN 12 -13.060 -12.330 -3.841 74 1HD2 ASN 12 1HD2 ASN 12 -14.747 -12.399 -2.566 75 2HD2 ASN 12 2HD2 ASN 12 -15.707 -11.040 -2.060 76 H ILE 13 H ILE 13 -11.771 -8.165 -3.422 77 HA ILE 13 HA ILE 13 -11.291 -8.373 -0.538 78 HB ILE 13 HB ILE 13 -11.301 -5.731 -1.894 79 1HG1 ILE 13 2HG1 ILE 13 -8.749 -7.247 -1.964 80 2HG1 ILE 13 1HG1 ILE 13 -9.956 -7.649 -3.183 81 1HG2 ILE 13 1HG2 ILE 13 -10.442 -6.843 0.587 82 2HG2 ILE 13 2HG2 ILE 13 -9.045 -6.146 -0.240 83 3HG2 ILE 13 3HG2 ILE 13 -10.472 -5.154 0.079 84 1HD1 ILE 13 1HD1 ILE 13 -9.718 -5.680 -4.261 85 2HD1 ILE 13 2HD1 ILE 13 -9.363 -4.783 -2.783 86 3HD1 ILE 13 3HD1 ILE 13 -8.110 -5.771 -3.535 87 H GLY 14 H GLY 14 -13.161 -8.558 0.532 88 1HA GLY 14 1HA GLY 14 -15.560 -7.168 -0.367 89 2HA GLY 14 2HA GLY 14 -15.442 -8.282 0.992 90 H ASP 15 H ASP 15 -12.931 -6.417 1.445 91 HA ASP 15 HA ASP 15 -14.430 -4.440 3.016 92 1HB ASP 15 2HB ASP 15 -11.589 -4.824 3.670 93 2HB ASP 15 1HB ASP 15 -12.978 -4.667 4.740 94 H ARG 16 H ARG 16 -13.813 -2.326 2.877 95 HA ARG 16 HA ARG 16 -11.952 -1.720 0.698 96 1HB ARG 16 2HB ARG 16 -13.162 0.683 1.277 97 2HB ARG 16 1HB ARG 16 -13.559 -0.379 -0.057 98 1HG ARG 16 2HG ARG 16 -15.494 -1.068 0.888 99 2HG ARG 16 1HG ARG 16 -14.863 -0.948 2.531 100 1HD ARG 16 2HD ARG 16 -15.864 1.002 2.774 101 2HD ARG 16 1HD ARG 16 -14.904 1.658 1.451 102 HE ARG 16 HE ARG 16 -16.718 0.788 -0.053 103 1HH1 ARG 16 2HH1 ARG 16 -17.377 1.513 3.310 104 2HH1 ARG 16 1HH1 ARG 16 -19.066 1.845 3.045 105 1HH2 ARG 16 2HH2 ARG 16 -18.915 1.297 -0.435 106 2HH2 ARG 16 1HH2 ARG 16 -19.936 1.769 0.900 107 H TYR 17 H TYR 17 -11.255 -2.428 3.444 108 HA TYR 17 HA TYR 17 -9.674 -0.005 3.979 109 1HB TYR 17 2HB TYR 17 -11.073 -1.419 5.912 110 2HB TYR 17 1HB TYR 17 -9.432 -2.063 6.042 111 HD1 TYR 17 1HD TYR 17 -10.596 1.256 5.064 112 HD2 TYR 17 2HD TYR 17 -8.481 -0.984 7.976 113 HE1 TYR 17 1HE TYR 17 -10.039 3.337 6.219 114 HE2 TYR 17 2HE TYR 17 -7.892 1.101 9.159 115 HH TYR 17 HH TYR 17 -8.955 4.281 7.898 116 H PHE 18 H PHE 18 -8.234 -0.382 2.442 117 HA PHE 18 HA PHE 18 -6.340 -2.553 2.728 118 1HB PHE 18 2HB PHE 18 -6.859 -3.620 0.607 119 2HB PHE 18 1HB PHE 18 -8.278 -3.639 1.640 120 HD1 PHE 18 1HD PHE 18 -9.690 -1.213 1.278 121 HD2 PHE 18 2HD PHE 18 -7.365 -3.370 -1.585 122 HE1 PHE 18 1HE PHE 18 -10.987 -0.215 -0.560 123 HE2 PHE 18 2HE PHE 18 -8.674 -2.370 -3.404 124 HZ PHE 18 HZ PHE 18 -10.485 -0.791 -2.894 125 H LEU 19 H LEU 19 -5.276 -2.586 0.188 126 HA LEU 19 HA LEU 19 -4.390 0.195 -0.157 127 1HB LEU 19 2HB LEU 19 -2.856 -2.397 -0.145 128 2HB LEU 19 1HB LEU 19 -2.199 -0.928 -0.828 129 HG LEU 19 HG LEU 19 -3.170 -0.973 1.998 130 1HD1 LEU 19 1HD1 LEU 19 -0.597 -2.056 0.918 131 2HD1 LEU 19 2HD1 LEU 19 -0.701 -1.383 2.545 132 3HD1 LEU 19 3HD1 LEU 19 -1.695 -2.770 2.099 133 1HD2 LEU 19 1HD2 LEU 19 -2.254 1.020 0.374 134 2HD2 LEU 19 2HD2 LEU 19 -2.226 1.043 2.141 135 3HD2 LEU 19 3HD2 LEU 19 -0.793 0.540 1.242 136 H LYS 20 H LYS 20 -3.967 0.897 -2.242 137 HA LYS 20 HA LYS 20 -4.029 -0.993 -4.446 138 1HB LYS 20 2HB LYS 20 -5.583 1.449 -5.006 139 2HB LYS 20 1HB LYS 20 -5.849 -0.192 -5.572 140 1HG LYS 20 2HG LYS 20 -7.579 -0.305 -4.200 141 2HG LYS 20 1HG LYS 20 -6.452 -0.213 -2.854 142 1HD LYS 20 2HD LYS 20 -7.137 1.846 -2.326 143 2HD LYS 20 1HD LYS 20 -6.923 2.400 -3.988 144 1HE LYS 20 2HE LYS 20 -9.257 0.671 -3.528 145 2HE LYS 20 1HE LYS 20 -9.315 2.239 -2.725 146 1HZ LYS 20 1HZ LYS 20 -10.218 1.991 -5.120 147 2HZ LYS 20 2HZ LYS 20 -8.582 2.093 -5.570 148 3HZ LYS 20 3HZ LYS 20 -9.303 3.362 -4.711 149 H ALA 21 H ALA 21 -3.135 0.024 -6.413 150 HA ALA 21 HA ALA 21 -2.468 2.569 -6.936 151 1HB ALA 21 1HB ALA 21 0.174 1.889 -5.977 152 2HB ALA 21 2HB ALA 21 -0.774 3.353 -5.721 153 3HB ALA 21 3HB ALA 21 -0.992 1.965 -4.655 154 H ILE 22 H ILE 22 -0.378 -0.248 -6.581 155 HA ILE 22 HA ILE 22 1.349 0.001 -8.548 156 HB ILE 22 HB ILE 22 0.064 -2.688 -8.211 157 1HG1 ILE 22 2HG1 ILE 22 1.543 -1.029 -6.232 158 2HG1 ILE 22 1HG1 ILE 22 0.255 -2.197 -5.975 159 1HG2 ILE 22 1HG2 ILE 22 2.987 -2.359 -8.232 160 2HG2 ILE 22 2HG2 ILE 22 1.949 -3.539 -9.059 161 3HG2 ILE 22 3HG2 ILE 22 2.154 -1.919 -9.726 162 1HD1 ILE 22 1HD1 ILE 22 2.130 -3.161 -5.001 163 2HD1 ILE 22 2HD1 ILE 22 1.990 -3.969 -6.563 164 3HD1 ILE 22 3HD1 ILE 22 3.185 -2.688 -6.336 165 H ASP 23 H ASP 23 -1.862 -1.337 -9.129 166 HA ASP 23 HA ASP 23 -2.167 -0.381 -11.712 167 1HB ASP 23 2HB ASP 23 -0.281 -2.189 -12.004 168 2HB ASP 23 1HB ASP 23 -1.613 -3.331 -11.872 169 H GLN 24 H GLN 24 -2.904 -2.364 -9.125 170 HA GLN 24 HA GLN 24 -5.697 -2.536 -9.879 171 1HB GLN 24 2HB GLN 24 -5.746 -4.948 -9.233 172 2HB GLN 24 1HB GLN 24 -4.814 -4.638 -10.692 173 1HG GLN 24 2HG GLN 24 -3.271 -4.600 -8.193 174 2HG GLN 24 1HG GLN 24 -3.973 -6.156 -8.622 175 1HE2 GLN 24 1HE2 GLN 24 -1.314 -4.241 -8.957 176 2HE2 GLN 24 2HE2 GLN 24 -0.636 -4.931 -10.393 177 H TYR 25 H TYR 25 -6.747 -3.865 -7.880 178 HA TYR 25 HA TYR 25 -6.048 -2.326 -5.505 179 1HB TYR 25 2HB TYR 25 -8.260 -4.366 -5.827 180 2HB TYR 25 1HB TYR 25 -8.089 -3.176 -4.538 181 HD1 TYR 25 1HD TYR 25 -7.653 -0.676 -5.795 182 HD2 TYR 25 2HD TYR 25 -10.083 -3.901 -7.129 183 HE1 TYR 25 1HE TYR 25 -9.028 0.903 -7.087 184 HE2 TYR 25 2HE TYR 25 -11.466 -2.330 -8.426 185 HH TYR 25 HH TYR 25 -10.995 0.056 -9.511 186 H TRP 26 H TRP 26 -5.747 -3.433 -3.455 187 HA TRP 26 HA TRP 26 -4.682 -6.155 -3.727 188 1HB TRP 26 2HB TRP 26 -3.305 -3.832 -2.367 189 2HB TRP 26 1HB TRP 26 -2.740 -5.496 -2.352 190 HD1 TRP 26 HD TRP 26 -2.814 -2.381 -4.513 191 HE1 TRP 26 1HE TRP 26 -1.288 -2.752 -6.547 192 HE3 TRP 26 3HE TRP 26 -1.894 -7.367 -3.935 193 HZ2 TRP 26 2HZ TRP 26 0.120 -4.884 -7.753 194 HZ3 TRP 26 3HZ TRP 26 -0.440 -8.492 -5.565 195 HH2 TRP 26 HH TRP 26 0.549 -7.276 -7.429 196 H HIS 27 H HIS 27 -3.587 -6.109 -1.129 197 HA HIS 27 HA HIS 27 -5.933 -5.818 0.616 198 1HB HIS 27 2HB HIS 27 -4.276 -8.235 0.108 199 2HB HIS 27 1HB HIS 27 -4.668 -7.903 1.790 200 HD2 HIS 27 2HD HIS 27 -7.684 -7.259 1.857 201 HE1 HIS 27 1HE HIS 27 -8.234 -10.546 -0.756 202 HE2 HIS 27 2HE HIS 27 -9.394 -8.917 0.813 203 H GLU 28 H GLU 28 -5.065 -6.006 3.017 204 HA GLU 28 HA GLU 28 -3.055 -4.021 3.362 205 1HB GLU 28 2HB GLU 28 -4.086 -5.875 5.496 206 2HB GLU 28 1HB GLU 28 -3.505 -4.235 5.659 207 1HG GLU 28 2HG GLU 28 -5.498 -3.343 5.233 208 2HG GLU 28 1HG GLU 28 -5.817 -4.467 3.912 209 H ASP 29 H ASP 29 -3.260 -7.495 4.090 210 HA ASP 29 HA ASP 29 -0.478 -7.617 4.812 211 1HB ASP 29 2HB ASP 29 -1.689 -9.070 6.132 212 2HB ASP 29 1HB ASP 29 -2.780 -9.505 4.822 213 H CYS 30 H CYS 30 -2.304 -8.087 2.021 214 HA CYS 30 HA CYS 30 -0.512 -9.816 0.634 215 1HB CYS 30 2HB CYS 30 -2.885 -8.164 -0.142 216 2HB CYS 30 1HB CYS 30 -1.854 -8.842 -1.394 217 H LEU 31 H LEU 31 -1.158 -6.317 0.428 218 HA LEU 31 HA LEU 31 1.271 -6.058 -1.161 219 1HB LEU 31 2HB LEU 31 -1.179 -4.851 -1.391 220 2HB LEU 31 1HB LEU 31 -0.191 -3.600 -0.660 221 HG LEU 31 HG LEU 31 -0.376 -4.012 -3.317 222 1HD1 LEU 31 1HD1 LEU 31 2.264 -3.126 -2.281 223 2HD1 LEU 31 2HD1 LEU 31 1.237 -2.408 -3.524 224 3HD1 LEU 31 3HD1 LEU 31 0.819 -2.227 -1.821 225 1HD2 LEU 31 1HD2 LEU 31 2.252 -5.292 -2.662 226 2HD2 LEU 31 2HD2 LEU 31 0.798 -6.254 -2.929 227 3HD2 LEU 31 3HD2 LEU 31 1.414 -5.211 -4.210 228 H SER 32 H SER 32 2.409 -6.626 0.881 229 HA SER 32 HA SER 32 3.438 -4.101 1.885 230 1HB SER 32 2HB SER 32 3.765 -6.135 3.923 231 2HB SER 32 1HB SER 32 3.120 -4.503 4.073 232 HG SER 32 HG SER 32 1.179 -5.612 2.980 233 H CYS 33 H CYS 33 5.717 -4.219 2.325 234 HA CYS 33 HA CYS 33 6.908 -5.727 0.304 235 1HB CYS 33 2HB CYS 33 8.365 -4.082 0.443 236 2HB CYS 33 1HB CYS 33 7.589 -3.516 1.909 237 H ASP 34 H ASP 34 8.617 -7.175 0.352 238 HA ASP 34 HA ASP 34 8.011 -9.453 1.867 239 1HB ASP 34 2HB ASP 34 9.269 -9.027 -0.475 240 2HB ASP 34 1HB ASP 34 10.670 -9.286 0.555 241 H LEU 35 H LEU 35 10.559 -7.056 2.151 242 HA LEU 35 HA LEU 35 12.019 -8.504 4.139 243 1HB LEU 35 2HB LEU 35 13.208 -6.962 2.749 244 2HB LEU 35 1HB LEU 35 12.141 -5.646 3.201 245 HG LEU 35 HG LEU 35 13.017 -5.635 5.448 246 1HD1 LEU 35 1HD1 LEU 35 13.532 -7.857 5.971 247 2HD1 LEU 35 2HD1 LEU 35 14.511 -8.070 4.520 248 3HD1 LEU 35 3HD1 LEU 35 15.112 -7.084 5.851 249 1HD2 LEU 35 1HD2 LEU 35 15.067 -4.641 4.979 250 2HD2 LEU 35 2HD2 LEU 35 15.439 -5.782 3.686 251 3HD2 LEU 35 3HD2 LEU 35 14.219 -4.532 3.437 252 H CYS 36 H CYS 36 9.607 -5.938 4.173 253 HA CYS 36 HA CYS 36 9.648 -5.295 6.893 254 1HB CYS 36 2HB CYS 36 7.530 -5.244 4.783 255 2HB CYS 36 1HB CYS 36 7.069 -4.996 6.462 256 H GLY 37 H GLY 37 8.003 -7.892 5.162 257 1HA GLY 37 1HA GLY 37 8.282 -9.912 6.819 258 2HA GLY 37 2HA GLY 37 7.062 -9.005 7.701 259 H CYS 38 H CYS 38 6.323 -8.404 4.543 260 HA CYS 38 HA CYS 38 4.456 -10.653 4.573 261 1HB CYS 38 2HB CYS 38 4.300 -7.927 3.291 262 2HB CYS 38 1HB CYS 38 3.144 -9.215 2.975 263 HG CYS 38 HG CYS 38 2.063 -7.317 4.767 264 H ARG 39 H ARG 39 4.258 -9.326 1.625 265 HA ARG 39 HA ARG 39 6.416 -10.473 0.218 266 1HB ARG 39 2HB ARG 39 4.706 -12.217 -0.885 267 2HB ARG 39 1HB ARG 39 5.754 -12.631 0.459 268 1HG ARG 39 2HG ARG 39 3.887 -13.385 1.416 269 2HG ARG 39 1HG ARG 39 3.567 -11.686 1.762 270 1HD ARG 39 2HD ARG 39 2.448 -11.676 -0.578 271 2HD ARG 39 1HD ARG 39 2.414 -13.430 -0.386 272 HE ARG 39 HE ARG 39 1.362 -12.459 1.941 273 1HH1 ARG 39 2HH1 ARG 39 0.551 -12.173 -1.463 274 2HH1 ARG 39 1HH1 ARG 39 -1.116 -11.795 -1.146 275 1HH2 ARG 39 2HH2 ARG 39 -0.850 -12.012 2.332 276 2HH2 ARG 39 1HH2 ARG 39 -1.908 -11.720 0.975 277 H LEU 40 H LEU 40 6.307 -8.537 -0.946 278 HA LEU 40 HA LEU 40 3.959 -7.666 -2.275 279 1HB LEU 40 2HB LEU 40 6.654 -6.764 -1.927 280 2HB LEU 40 1HB LEU 40 6.246 -6.700 -3.631 281 HG LEU 40 HG LEU 40 4.200 -5.600 -1.842 282 1HD1 LEU 40 1HD1 LEU 40 6.870 -4.915 -1.320 283 2HD1 LEU 40 2HD1 LEU 40 6.166 -3.558 -2.201 284 3HD1 LEU 40 3HD1 LEU 40 5.411 -4.132 -0.713 285 1HD2 LEU 40 1HD2 LEU 40 5.195 -5.301 -4.539 286 2HD2 LEU 40 2HD2 LEU 40 3.629 -4.853 -3.862 287 3HD2 LEU 40 3HD2 LEU 40 4.990 -3.737 -3.750 288 H GLY 41 H GLY 41 3.104 -9.312 -3.507 289 1HA GLY 41 1HA GLY 41 4.801 -10.468 -5.615 290 2HA GLY 41 2HA GLY 41 3.259 -11.125 -5.063 291 H GLU 42 H GLU 42 4.317 -7.938 -6.135 292 HA GLU 42 HA GLU 42 1.841 -7.409 -7.372 293 1HB GLU 42 2HB GLU 42 2.854 -5.283 -8.054 294 2HB GLU 42 1HB GLU 42 3.149 -5.645 -6.360 295 1HG GLU 42 2HG GLU 42 5.224 -4.966 -6.933 296 2HG GLU 42 1HG GLU 42 5.380 -6.668 -7.371 297 H VAL 43 H VAL 43 1.966 -6.245 -9.633 298 HA VAL 43 HA VAL 43 3.537 -7.556 -11.645 299 HB VAL 43 HB VAL 43 1.745 -9.236 -11.037 300 1HG1 VAL 43 1HG1 VAL 43 0.083 -6.976 -11.295 301 2HG1 VAL 43 2HG1 VAL 43 -0.367 -8.103 -12.577 302 3HG1 VAL 43 3HG1 VAL 43 -0.376 -8.633 -10.894 303 1HG2 VAL 43 1HG2 VAL 43 0.943 -9.136 -13.669 304 2HG2 VAL 43 2HG2 VAL 43 2.476 -8.267 -13.679 305 3HG2 VAL 43 3HG2 VAL 43 2.401 -9.916 -13.059 306 H GLY 44 H GLY 44 2.801 -4.904 -10.619 307 1HA GLY 44 1HA GLY 44 1.630 -3.733 -13.070 308 2HA GLY 44 2HA GLY 44 1.292 -3.092 -11.468 309 H ARG 45 H ARG 45 2.110 -1.093 -12.588 310 HA ARG 45 HA ARG 45 5.049 -0.986 -12.401 311 1HB ARG 45 2HB ARG 45 4.427 -0.827 -14.713 312 2HB ARG 45 1HB ARG 45 3.199 0.377 -14.357 313 1HG ARG 45 2HG ARG 45 5.627 1.419 -13.404 314 2HG ARG 45 1HG ARG 45 5.957 0.743 -15.001 315 1HD ARG 45 2HD ARG 45 3.884 2.799 -14.261 316 2HD ARG 45 1HD ARG 45 5.296 3.021 -15.295 317 HE ARG 45 HE ARG 45 2.855 1.525 -15.986 318 1HH1 ARG 45 2HH1 ARG 45 5.879 3.031 -16.918 319 2HH1 ARG 45 1HH1 ARG 45 5.548 2.927 -18.626 320 1HH2 ARG 45 2HH2 ARG 45 2.442 1.345 -18.210 321 2HH2 ARG 45 1HH2 ARG 45 3.598 1.945 -19.366 322 H ARG 46 H ARG 46 2.015 0.753 -11.912 323 HA ARG 46 HA ARG 46 3.255 3.124 -10.931 324 1HB ARG 46 2HB ARG 46 0.401 2.186 -10.671 325 2HB ARG 46 1HB ARG 46 0.977 3.817 -10.356 326 1HG ARG 46 2HG ARG 46 1.675 3.999 -12.700 327 2HG ARG 46 1HG ARG 46 1.018 2.390 -13.002 328 1HD ARG 46 2HD ARG 46 -0.509 4.814 -12.077 329 2HD ARG 46 1HD ARG 46 -0.581 4.074 -13.676 330 HE ARG 46 HE ARG 46 -1.596 2.862 -11.187 331 1HH1 ARG 46 2HH1 ARG 46 -1.558 3.137 -14.666 332 2HH1 ARG 46 1HH1 ARG 46 -2.903 2.062 -14.898 333 1HH2 ARG 46 2HH2 ARG 46 -3.390 1.466 -11.467 334 2HH2 ARG 46 1HH2 ARG 46 -3.955 1.123 -13.081 335 H LEU 47 H LEU 47 4.605 1.761 -9.345 336 HA LEU 47 HA LEU 47 3.564 2.374 -6.749 337 1HB LEU 47 2HB LEU 47 2.803 -0.040 -7.352 338 2HB LEU 47 1HB LEU 47 4.485 -0.461 -7.101 339 HG LEU 47 HG LEU 47 2.612 -0.616 -5.186 340 1HD1 LEU 47 1HD1 LEU 47 4.317 -1.228 -3.859 341 2HD1 LEU 47 2HD1 LEU 47 5.267 -1.044 -5.333 342 3HD1 LEU 47 3HD1 LEU 47 5.221 0.260 -4.144 343 1HD2 LEU 47 1HD2 LEU 47 2.443 1.966 -5.374 344 2HD2 LEU 47 2HD2 LEU 47 2.465 1.209 -3.783 345 3HD2 LEU 47 3HD2 LEU 47 3.929 1.956 -4.425 346 H TYR 48 H TYR 48 5.229 2.459 -5.179 347 HA TYR 48 HA TYR 48 7.816 2.933 -6.317 348 1HB TYR 48 2HB TYR 48 6.610 4.149 -4.325 349 2HB TYR 48 1HB TYR 48 7.315 2.853 -3.366 350 HD1 TYR 48 1HD TYR 48 8.191 5.232 -2.421 351 HD2 TYR 48 2HD TYR 48 9.537 3.322 -5.975 352 HE1 TYR 48 1HE TYR 48 10.291 6.494 -2.293 353 HE2 TYR 48 2HE TYR 48 11.650 4.582 -5.856 354 HH TYR 48 HH TYR 48 12.065 7.281 -4.026 355 H TYR 49 H TYR 49 8.499 0.959 -7.054 356 HA TYR 49 HA TYR 49 9.634 -0.722 -4.973 357 1HB TYR 49 2HB TYR 49 9.014 -2.795 -6.093 358 2HB TYR 49 1HB TYR 49 7.561 -1.877 -5.708 359 HD1 TYR 49 1HD TYR 49 9.814 -2.935 -8.431 360 HD2 TYR 49 2HD TYR 49 6.082 -1.121 -7.447 361 HE1 TYR 49 1HE TYR 49 9.109 -3.111 -10.776 362 HE2 TYR 49 2HE TYR 49 5.383 -1.285 -9.796 363 HH TYR 49 HH TYR 49 5.888 -2.582 -11.778 364 H LYS 50 H LYS 50 11.495 -1.992 -5.830 365 HA LYS 50 HA LYS 50 13.019 -0.282 -7.549 366 1HB LYS 50 2HB LYS 50 13.538 -2.452 -5.694 367 2HB LYS 50 1HB LYS 50 14.480 -2.621 -7.167 368 1HG LYS 50 2HG LYS 50 14.866 -0.002 -6.631 369 2HG LYS 50 1HG LYS 50 14.696 -0.656 -4.999 370 1HD LYS 50 2HD LYS 50 16.510 -2.121 -5.282 371 2HD LYS 50 1HD LYS 50 16.510 -1.915 -7.035 372 1HE LYS 50 2HE LYS 50 17.322 0.324 -6.837 373 2HE LYS 50 1HE LYS 50 17.125 0.298 -5.085 374 1HZ LYS 50 1HZ LYS 50 18.832 -1.425 -4.974 375 2HZ LYS 50 2HZ LYS 50 19.428 -0.011 -5.698 376 3HZ LYS 50 3HZ LYS 50 19.029 -1.350 -6.657 377 H LEU 51 H LEU 51 14.070 -0.926 -9.467 378 HA LEU 51 HA LEU 51 12.588 -1.658 -11.529 379 1HB LEU 51 2HB LEU 51 14.508 -1.979 -12.815 380 2HB LEU 51 1HB LEU 51 14.976 -0.883 -11.533 381 HG LEU 51 HG LEU 51 15.548 -3.843 -11.440 382 1HD1 LEU 51 1HD1 LEU 51 16.600 -2.770 -13.411 383 2HD1 LEU 51 2HD1 LEU 51 17.410 -1.647 -12.320 384 3HD1 LEU 51 3HD1 LEU 51 17.764 -3.371 -12.228 385 1HD2 LEU 51 1HD2 LEU 51 16.232 -1.481 -9.763 386 2HD2 LEU 51 2HD2 LEU 51 15.823 -3.131 -9.284 387 3HD2 LEU 51 3HD2 LEU 51 17.428 -2.767 -9.929 388 H GLY 52 H GLY 52 14.225 -4.092 -9.525 389 1HA GLY 52 1HA GLY 52 12.451 -6.080 -10.764 390 2HA GLY 52 2HA GLY 52 14.172 -6.412 -10.645 391 H ARG 53 H ARG 53 12.739 -4.616 -8.064 392 HA ARG 53 HA ARG 53 12.260 -7.014 -6.489 393 1HB ARG 53 2HB ARG 53 13.732 -5.483 -4.701 394 2HB ARG 53 1HB ARG 53 14.252 -6.975 -5.470 395 1HG ARG 53 2HG ARG 53 14.786 -5.033 -7.363 396 2HG ARG 53 1HG ARG 53 15.208 -4.270 -5.832 397 1HD ARG 53 2HD ARG 53 16.861 -5.804 -5.369 398 2HD ARG 53 1HD ARG 53 16.124 -7.054 -6.373 399 HE ARG 53 HE ARG 53 17.849 -4.870 -7.258 400 1HH1 ARG 53 2HH1 ARG 53 15.922 -7.692 -8.037 401 2HH1 ARG 53 1HH1 ARG 53 16.474 -7.774 -9.685 402 1HH2 ARG 53 2HH2 ARG 53 18.589 -4.980 -9.431 403 2HH2 ARG 53 1HH2 ARG 53 17.972 -6.223 -10.486 404 H LYS 54 H LYS 54 10.272 -6.638 -5.824 405 HA LYS 54 HA LYS 54 9.349 -3.956 -5.321 406 1HB LYS 54 2HB LYS 54 7.267 -5.476 -4.564 407 2HB LYS 54 1HB LYS 54 7.594 -5.057 -6.239 408 1HG LYS 54 2HG LYS 54 8.982 -7.464 -5.347 409 2HG LYS 54 1HG LYS 54 7.224 -7.581 -5.273 410 1HD LYS 54 2HD LYS 54 7.701 -6.368 -7.709 411 2HD LYS 54 1HD LYS 54 8.993 -7.561 -7.575 412 1HE LYS 54 2HE LYS 54 6.416 -8.617 -6.743 413 2HE LYS 54 1HE LYS 54 6.405 -8.034 -8.409 414 1HZ LYS 54 1HZ LYS 54 8.505 -9.372 -8.704 415 2HZ LYS 54 2HZ LYS 54 7.067 -10.257 -8.525 416 3HZ LYS 54 3HZ LYS 54 8.143 -10.108 -7.221 417 H LEU 55 H LEU 55 10.126 -3.101 -3.517 418 HA LEU 55 HA LEU 55 9.300 -4.244 -0.996 419 1HB LEU 55 2HB LEU 55 11.362 -4.449 -0.002 420 2HB LEU 55 1HB LEU 55 11.736 -4.964 -1.634 421 HG LEU 55 HG LEU 55 12.192 -2.136 -0.709 422 1HD1 LEU 55 1HD1 LEU 55 13.480 -4.407 0.293 423 2HD1 LEU 55 2HD1 LEU 55 14.592 -3.707 -0.884 424 3HD1 LEU 55 3HD1 LEU 55 13.988 -2.726 0.451 425 1HD2 LEU 55 1HD2 LEU 55 13.563 -3.698 -2.888 426 2HD2 LEU 55 2HD2 LEU 55 12.121 -2.722 -3.165 427 3HD2 LEU 55 3HD2 LEU 55 13.609 -1.956 -2.600 428 H CYS 56 H CYS 56 9.612 -2.564 0.780 429 HA CYS 56 HA CYS 56 8.407 -0.212 -0.144 430 1HB CYS 56 2HB CYS 56 8.538 0.600 2.153 431 2HB CYS 56 1HB CYS 56 7.997 -1.069 2.100 432 H ARG 57 H ARG 57 9.139 1.956 0.632 433 HA ARG 57 HA ARG 57 11.612 2.598 -0.681 434 1HB ARG 57 2HB ARG 57 10.128 4.309 -1.022 435 2HB ARG 57 1HB ARG 57 9.380 4.119 0.555 436 1HG ARG 57 2HG ARG 57 10.422 6.179 0.708 437 2HG ARG 57 1HG ARG 57 11.575 5.092 1.482 438 1HD ARG 57 2HD ARG 57 13.150 5.679 0.032 439 2HD ARG 57 1HD ARG 57 12.129 5.187 -1.318 440 HE ARG 57 HE ARG 57 11.171 7.472 -1.233 441 1HH1 ARG 57 2HH1 ARG 57 14.365 6.875 0.069 442 2HH1 ARG 57 1HH1 ARG 57 14.865 8.531 -0.057 443 1HH2 ARG 57 2HH2 ARG 57 11.811 9.628 -1.391 444 2HH2 ARG 57 1HH2 ARG 57 13.399 10.112 -0.855 445 H ARG 58 H ARG 58 10.550 2.187 2.617 446 HA ARG 58 HA ARG 58 12.826 3.495 3.742 447 1HB ARG 58 2HB ARG 58 11.848 1.938 5.780 448 2HB ARG 58 1HB ARG 58 11.357 3.587 5.426 449 1HG ARG 58 2HG ARG 58 9.976 1.329 4.059 450 2HG ARG 58 1HG ARG 58 9.585 1.708 5.737 451 1HD ARG 58 2HD ARG 58 9.217 4.086 4.993 452 2HD ARG 58 1HD ARG 58 9.338 3.502 3.333 453 HE ARG 58 HE ARG 58 7.456 1.930 4.689 454 1HH1 ARG 58 2HH1 ARG 58 7.801 5.228 3.534 455 2HH1 ARG 58 1HH1 ARG 58 6.095 5.483 3.392 456 1HH2 ARG 58 2HH2 ARG 58 5.202 2.286 4.506 457 2HH2 ARG 58 1HH2 ARG 58 4.617 3.827 3.949 458 H ASP 59 H ASP 59 11.920 0.155 3.090 459 HA ASP 59 HA ASP 59 14.290 -0.904 4.318 460 1HB ASP 59 2HB ASP 59 12.043 -2.039 2.708 461 2HB ASP 59 1HB ASP 59 13.534 -2.969 2.843 462 H TYR 60 H TYR 60 13.263 -0.096 1.053 463 HA TYR 60 HA TYR 60 15.555 -0.989 -0.319 464 1HB TYR 60 2HB TYR 60 14.136 -0.409 -1.953 465 2HB TYR 60 1HB TYR 60 13.209 0.624 -0.878 466 HD1 TYR 60 1HD TYR 60 13.732 3.034 -0.722 467 HD2 TYR 60 2HD TYR 60 15.792 0.484 -3.431 468 HE1 TYR 60 1HE TYR 60 14.502 5.002 -1.973 469 HE2 TYR 60 2HE TYR 60 16.581 2.451 -4.689 470 HH TYR 60 HH TYR 60 15.306 5.243 -4.702 471 H LEU 61 H LEU 61 14.857 1.936 1.488 472 HA LEU 61 HA LEU 61 17.132 3.408 0.666 473 1HB LEU 61 2HB LEU 61 14.865 3.928 2.075 474 2HB LEU 61 1HB LEU 61 16.065 3.922 3.354 475 HG LEU 61 HG LEU 61 17.225 5.745 2.434 476 1HD1 LEU 61 1HD1 LEU 61 15.552 5.883 -0.024 477 2HD1 LEU 61 2HD1 LEU 61 17.201 6.446 0.255 478 3HD1 LEU 61 3HD1 LEU 61 16.881 4.725 0.036 479 1HD2 LEU 61 1HD2 LEU 61 14.429 6.512 1.716 480 2HD2 LEU 61 2HD2 LEU 61 14.829 6.089 3.381 481 3HD2 LEU 61 3HD2 LEU 61 15.656 7.430 2.586 482 H ARG 62 H ARG 62 16.747 0.807 2.865 483 HA ARG 62 HA ARG 62 19.035 1.533 4.483 484 1HB ARG 62 2HB ARG 62 16.750 -0.044 4.833 485 2HB ARG 62 1HB ARG 62 18.097 -1.171 4.858 486 1HG ARG 62 2HG ARG 62 18.082 -0.652 7.051 487 2HG ARG 62 1HG ARG 62 19.082 0.691 6.498 488 1HD ARG 62 2HD ARG 62 17.185 1.282 8.059 489 2HD ARG 62 1HD ARG 62 17.270 2.196 6.556 490 HE ARG 62 HE ARG 62 15.417 0.921 5.730 491 1HH1 ARG 62 2HH1 ARG 62 16.106 0.475 9.147 492 2HH1 ARG 62 1HH1 ARG 62 14.509 -0.119 9.515 493 1HH2 ARG 62 2HH2 ARG 62 13.346 0.072 6.220 494 2HH2 ARG 62 1HH2 ARG 62 12.956 -0.362 7.851 495 H LEU 63 H LEU 63 18.459 -0.323 1.650 496 HA LEU 63 HA LEU 63 21.098 -1.599 1.968 497 1HB LEU 63 2HB LEU 63 19.938 -3.230 0.182 498 2HB LEU 63 1HB LEU 63 19.903 -3.496 1.914 499 HG LEU 63 HG LEU 63 17.689 -1.841 1.238 500 1HD1 LEU 63 1HD1 LEU 63 17.280 -4.376 -0.185 501 2HD1 LEU 63 2HD1 LEU 63 16.678 -2.758 -0.547 502 3HD1 LEU 63 3HD1 LEU 63 18.324 -3.212 -0.999 503 1HD2 LEU 63 1HD2 LEU 63 16.432 -3.700 2.184 504 2HD2 LEU 63 2HD2 LEU 63 17.863 -4.724 2.088 505 3HD2 LEU 63 3HD2 LEU 63 17.852 -3.322 3.159 506 H GLY 64 H GLY 64 18.803 -0.342 -0.451 507 1HA GLY 64 1HA GLY 64 21.136 0.177 -2.187 508 2HA GLY 64 2HA GLY 64 19.694 -0.606 -2.814 509 H GLY 65 H GLY 65 19.814 2.077 -0.524 510 1HA GLY 65 1HA GLY 65 18.485 3.714 -2.600 511 2HA GLY 65 2HA GLY 65 18.085 3.799 -0.890 512 H SER 66 H SER 66 19.118 5.193 0.352 513 HA SER 66 HA SER 66 21.508 6.526 -0.704 514 1HB SER 66 2HB SER 66 19.536 8.030 0.979 515 2HB SER 66 1HB SER 66 20.675 8.643 -0.218 516 HG SER 66 HG SER 66 19.310 8.183 -1.805 517 H GLY 67 H GLY 67 21.573 4.338 0.966 518 1HA GLY 67 1HA GLY 67 21.975 3.539 3.104 519 2HA GLY 67 2HA GLY 67 23.326 4.638 2.926 520 H GLY 68 H GLY 68 19.892 5.327 3.440 521 1HA GLY 68 1HA GLY 68 19.363 5.744 5.931 522 2HA GLY 68 2HA GLY 68 20.631 6.958 5.765 523 H HIS 69 H HIS 69 19.832 8.934 5.510 524 HA HIS 69 HA HIS 69 18.232 9.713 3.378 525 1HB HIS 69 2HB HIS 69 16.524 8.485 4.930 526 2HB HIS 69 1HB HIS 69 16.626 9.932 5.912 527 HD2 HIS 69 2HD HIS 69 15.716 9.082 2.167 528 HE1 HIS 69 1HE HIS 69 13.546 12.468 3.482 529 HE2 HIS 69 2HE HIS 69 14.090 10.993 1.494 530 H MET 70 H MET 70 16.800 11.748 4.971 531 HA MET 70 HA MET 70 19.092 13.482 5.644 532 1HB MET 70 2HB MET 70 16.250 14.357 5.130 533 2HB MET 70 1HB MET 70 17.686 15.368 5.195 534 1HG MET 70 2HG MET 70 18.150 13.466 3.182 535 2HG MET 70 1HG MET 70 16.498 14.040 2.961 536 1HE MET 70 1HE MET 70 20.112 14.723 1.967 537 2HE MET 70 2HE MET 70 20.379 16.394 2.467 538 3HE MET 70 3HE MET 70 20.119 15.141 3.681 539 H GLY 71 H GLY 71 16.459 11.745 6.838 540 1HA GLY 71 1HA GLY 71 17.009 12.676 9.539 541 2HA GLY 71 2HA GLY 71 15.356 12.856 8.967 542 H SER 72 H SER 72 17.569 10.805 10.431 543 HA SER 72 HA SER 72 16.149 8.345 9.720 544 1HB SER 72 2HB SER 72 18.224 8.058 11.728 545 2HB SER 72 1HB SER 72 18.128 7.356 10.112 546 HG SER 72 HG SER 72 19.038 9.981 10.752 547 H GLY 73 H GLY 73 14.287 8.116 10.791 548 1HA GLY 73 1HA GLY 73 13.462 9.252 13.132 549 2HA GLY 73 2HA GLY 73 12.869 7.703 12.556 550 H GLY 74 H GLY 74 14.403 9.287 15.026 551 1HA GLY 74 1HA GLY 74 14.675 7.158 16.761 552 2HA GLY 74 2HA GLY 74 16.210 7.273 15.911 553 H ASP 75 H ASP 75 17.640 8.245 17.223 554 HA ASP 75 HA ASP 75 16.892 10.874 18.255 555 1HB ASP 75 2HB ASP 75 16.777 8.880 20.009 556 2HB ASP 75 1HB ASP 75 18.514 9.169 20.078 557 H VAL 76 H VAL 76 18.180 11.891 16.821 558 HA VAL 76 HA VAL 76 21.064 11.621 17.299 559 HB VAL 76 HB VAL 76 19.962 12.220 14.550 560 1HG1 VAL 76 1HG1 VAL 76 22.559 12.339 15.769 561 2HG1 VAL 76 2HG1 VAL 76 22.560 11.189 14.433 562 3HG1 VAL 76 3HG1 VAL 76 22.052 12.856 14.163 563 1HG2 VAL 76 1HG2 VAL 76 19.898 10.054 13.973 564 2HG2 VAL 76 2HG2 VAL 76 21.332 9.655 14.917 565 3HG2 VAL 76 3HG2 VAL 76 19.758 9.760 15.705 566 H MET 77 H MET 77 21.581 13.449 18.294 567 HA MET 77 HA MET 77 20.004 15.818 17.977 568 1HB MET 77 2HB MET 77 22.623 15.629 19.450 569 2HB MET 77 1HB MET 77 21.287 16.736 19.744 570 1HG MET 77 2HG MET 77 19.918 14.950 20.557 571 2HG MET 77 1HG MET 77 21.142 13.765 20.128 572 1HE MET 77 1HE MET 77 21.398 13.383 23.851 573 2HE MET 77 2HE MET 77 20.560 12.905 22.376 574 3HE MET 77 3HE MET 77 22.304 12.687 22.508 575 H VAL 78 H VAL 78 20.214 16.687 15.996 576 HA VAL 78 HA VAL 78 22.188 18.493 15.416 577 HB VAL 78 HB VAL 78 23.734 16.581 15.170 578 1HG1 VAL 78 1HG1 VAL 78 21.645 15.264 14.010 579 2HG1 VAL 78 2HG1 VAL 78 22.658 15.658 12.621 580 3HG1 VAL 78 3HG1 VAL 78 23.332 14.744 13.972 581 1HG2 VAL 78 1HG2 VAL 78 24.236 17.121 12.604 582 2HG2 VAL 78 2HG2 VAL 78 23.115 18.436 12.954 583 3HG2 VAL 78 3HG2 VAL 78 24.585 18.254 13.910 584 H VAL 79 H VAL 79 21.397 19.820 13.904 585 HA VAL 79 HA VAL 79 18.870 19.274 12.727 586 HB VAL 79 HB VAL 79 20.842 21.502 12.188 587 1HG1 VAL 79 1HG1 VAL 79 19.611 21.936 10.377 588 2HG1 VAL 79 2HG1 VAL 79 18.351 20.797 10.854 589 3HG1 VAL 79 3HG1 VAL 79 18.348 22.439 11.500 590 1HG2 VAL 79 1HG2 VAL 79 19.530 21.088 14.474 591 2HG2 VAL 79 2HG2 VAL 79 19.855 22.700 13.839 592 3HG2 VAL 79 3HG2 VAL 79 18.276 21.956 13.589 593 H GLY 80 H GLY 80 22.171 19.356 11.520 594 1HA GLY 80 1HA GLY 80 21.365 18.483 8.856 595 2HA GLY 80 2HA GLY 80 23.010 18.779 9.406 596 H GLU 81 H GLU 81 20.303 16.686 10.299 597 HA GLU 81 HA GLU 81 21.709 14.637 11.458 598 1HB GLU 81 2HB GLU 81 19.045 15.096 10.635 599 2HB GLU 81 1HB GLU 81 19.505 13.523 9.997 600 1HG GLU 81 2HG GLU 81 20.409 13.168 12.436 601 2HG GLU 81 1HG GLU 81 19.227 14.423 12.809 602 HA PRO 82 HA PRO 82 23.973 12.946 8.029 603 1HB PRO 82 2HB PRO 82 24.617 10.754 9.878 604 2HB PRO 82 1HB PRO 82 25.695 11.921 9.105 605 1HG PRO 82 2HG PRO 82 25.165 12.014 11.738 606 2HG PRO 82 1HG PRO 82 25.417 13.484 10.780 607 1HD PRO 82 2HD PRO 82 22.850 12.244 11.705 608 2HD PRO 82 1HD PRO 82 23.332 13.954 11.695 609 H THR 83 H THR 83 24.386 10.406 7.430 610 HA THR 83 HA THR 83 21.698 9.424 6.845 611 HB THR 83 HB THR 83 23.467 7.828 5.439 612 HG1 THR 83 1HG THR 83 25.133 9.411 6.186 613 1HG2 THR 83 1HG2 THR 83 21.511 8.711 4.431 614 2HG2 THR 83 2HG2 THR 83 22.869 9.369 3.517 615 3HG2 THR 83 3HG2 THR 83 22.035 10.374 4.703 616 H LEU 84 H LEU 84 21.864 8.794 9.321 617 HA LEU 84 HA LEU 84 23.318 6.470 9.991 618 1HB LEU 84 2HB LEU 84 20.791 7.533 11.236 619 2HB LEU 84 1HB LEU 84 21.948 6.447 11.980 620 HG LEU 84 HG LEU 84 22.539 8.407 12.939 621 1HD1 LEU 84 1HD1 LEU 84 24.390 7.434 11.377 622 2HD1 LEU 84 2HD1 LEU 84 24.197 8.989 10.568 623 3HD1 LEU 84 3HD1 LEU 84 24.646 8.932 12.273 624 1HD2 LEU 84 1HD2 LEU 84 22.699 10.490 11.184 625 2HD2 LEU 84 2HD2 LEU 84 21.271 9.606 10.641 626 3HD2 LEU 84 3HD2 LEU 84 21.375 10.181 12.306 627 H MET 85 H MET 85 21.834 4.568 10.995 628 HA MET 85 HA MET 85 20.608 3.307 8.728 629 1HB MET 85 2HB MET 85 21.801 2.346 10.962 630 2HB MET 85 1HB MET 85 20.111 2.191 11.424 631 1HG MET 85 2HG MET 85 19.655 0.665 9.750 632 2HG MET 85 1HG MET 85 21.045 1.161 8.783 633 1HE MET 85 1HE MET 85 19.824 -1.683 11.225 634 2HE MET 85 2HE MET 85 19.947 -1.645 9.467 635 3HE MET 85 3HE MET 85 21.043 -2.660 10.405 636 H GLY 86 H GLY 86 19.440 4.634 11.796 637 1HA GLY 86 1HA GLY 86 17.340 5.230 12.510 638 2HA GLY 86 2HA GLY 86 17.198 5.870 10.883 639 H GLY 87 H GLY 87 15.511 5.208 9.795 640 1HA GLY 87 1HA GLY 87 14.704 2.806 9.039 641 2HA GLY 87 2HA GLY 87 14.065 2.824 10.679 642 H GLU 88 H GLU 88 13.330 5.504 10.842 643 HA GLU 88 HA GLU 88 11.058 5.531 9.006 644 1HB GLU 88 2HB GLU 88 11.091 7.521 11.162 645 2HB GLU 88 1HB GLU 88 9.815 6.415 10.674 646 1HG GLU 88 2HG GLU 88 10.753 4.644 11.946 647 2HG GLU 88 1HG GLU 88 12.216 5.571 12.265 648 H PHE 89 H PHE 89 11.659 6.562 7.190 649 HA PHE 89 HA PHE 89 13.172 9.064 7.445 650 1HB PHE 89 2HB PHE 89 12.724 7.551 4.881 651 2HB PHE 89 1HB PHE 89 14.011 8.685 5.280 652 HD1 PHE 89 1HD PHE 89 15.754 7.973 6.995 653 HD2 PHE 89 2HD PHE 89 13.002 5.268 5.189 654 HE1 PHE 89 1HE PHE 89 17.188 6.081 7.640 655 HE2 PHE 89 2HE PHE 89 14.438 3.377 5.828 656 HZ PHE 89 HZ PHE 89 16.526 3.784 7.060 657 H GLY 90 H GLY 90 12.406 9.762 4.658 658 1HA GLY 90 1HA GLY 90 9.547 10.282 4.862 659 2HA GLY 90 2HA GLY 90 10.604 11.690 4.879 660 H ASP 91 H ASP 91 9.246 9.150 2.973 661 HA ASP 91 HA ASP 91 10.844 9.471 0.671 662 1HB ASP 91 2HB ASP 91 8.604 8.450 -0.396 663 2HB ASP 91 1HB ASP 91 9.753 7.476 0.512 664 H GLU 92 H GLU 92 7.402 9.935 0.315 665 HA GLU 92 HA GLU 92 6.118 11.569 -0.608 666 1HB GLU 92 2HB GLU 92 8.413 13.231 0.372 667 2HB GLU 92 1HB GLU 92 7.116 13.958 -0.565 668 1HG GLU 92 2HG GLU 92 6.845 12.516 2.060 669 2HG GLU 92 1HG GLU 92 6.716 14.254 1.794 670 H ASP 93 H ASP 93 9.172 10.836 -1.828 671 HA ASP 93 HA ASP 93 9.137 12.523 -4.125 672 1HB ASP 93 2HB ASP 93 11.080 11.229 -4.860 673 2HB ASP 93 1HB ASP 93 11.239 11.680 -3.167 674 H GLU 94 H GLU 94 8.012 9.297 -3.421 675 HA GLU 94 HA GLU 94 6.934 9.163 -6.149 676 1HB GLU 94 2HB GLU 94 8.889 7.443 -5.034 677 2HB GLU 94 1HB GLU 94 7.396 6.523 -5.139 678 1HG GLU 94 2HG GLU 94 8.775 7.960 -7.396 679 2HG GLU 94 1HG GLU 94 8.725 6.218 -7.135 680 H ARG 95 H ARG 95 5.051 7.888 -6.387 681 HA ARG 95 HA ARG 95 3.214 8.210 -4.228 682 1HB ARG 95 2HB ARG 95 1.975 8.418 -6.095 683 2HB ARG 95 1HB ARG 95 3.121 7.514 -7.066 684 1HG ARG 95 2HG ARG 95 1.588 5.849 -5.226 685 2HG ARG 95 1HG ARG 95 0.597 6.704 -6.410 686 1HD ARG 95 2HD ARG 95 3.053 5.155 -7.188 687 2HD ARG 95 1HD ARG 95 1.467 4.397 -7.064 688 HE ARG 95 HE ARG 95 0.730 6.040 -8.775 689 1HH1 ARG 95 2HH1 ARG 95 4.131 5.245 -8.487 690 2HH1 ARG 95 1HH1 ARG 95 4.484 5.600 -10.149 691 1HH2 ARG 95 2HH2 ARG 95 1.189 6.528 -10.952 692 2HH2 ARG 95 1HH2 ARG 95 2.817 6.334 -11.555 693 H LEU 96 H LEU 96 2.615 6.803 -2.729 694 HA LEU 96 HA LEU 96 3.668 4.071 -2.893 695 1HB LEU 96 2HB LEU 96 2.403 5.230 -0.438 696 2HB LEU 96 1HB LEU 96 3.601 3.956 -0.564 697 HG LEU 96 HG LEU 96 4.237 6.815 -1.251 698 1HD1 LEU 96 1HD1 LEU 96 3.721 7.162 0.940 699 2HD1 LEU 96 2HD1 LEU 96 4.048 5.490 1.400 700 3HD1 LEU 96 3HD1 LEU 96 5.384 6.603 1.113 701 1HD2 LEU 96 1HD2 LEU 96 5.778 5.130 -2.099 702 2HD2 LEU 96 2HD2 LEU 96 6.534 6.086 -0.824 703 3HD2 LEU 96 3HD2 LEU 96 5.952 4.456 -0.478 704 H ILE 97 H ILE 97 2.018 2.655 -1.345 705 HA ILE 97 HA ILE 97 -0.365 2.478 -2.967 706 HB ILE 97 HB ILE 97 -0.582 0.763 -0.719 707 1HG1 ILE 97 2HG1 ILE 97 1.747 -0.403 -1.764 708 2HG1 ILE 97 1HG1 ILE 97 2.170 1.282 -1.475 709 1HG2 ILE 97 1HG2 ILE 97 -0.959 -0.819 -2.311 710 2HG2 ILE 97 2HG2 ILE 97 -1.186 0.633 -3.286 711 3HG2 ILE 97 3HG2 ILE 97 0.343 -0.242 -3.352 712 1HD1 ILE 97 1HD1 ILE 97 2.304 -0.688 0.374 713 2HD1 ILE 97 2HD1 ILE 97 2.147 1.028 0.746 714 3HD1 ILE 97 3HD1 ILE 97 0.717 -0.003 0.718 715 H THR 98 H THR 98 -2.363 3.086 -2.422 716 HA THR 98 HA THR 98 -2.651 4.873 -0.205 717 HB THR 98 HB THR 98 -5.155 4.431 -1.452 718 HG1 THR 98 1HG THR 98 -3.205 4.947 -3.443 719 1HG2 THR 98 1HG2 THR 98 -4.088 6.542 -0.570 720 2HG2 THR 98 2HG2 THR 98 -4.934 6.697 -2.110 721 3HG2 THR 98 3HG2 THR 98 -3.171 6.597 -2.074 722 H ARG 99 H ARG 99 -3.185 4.211 1.767 723 HA ARG 99 HA ARG 99 -4.599 1.732 2.255 724 1HB ARG 99 2HB ARG 99 -3.221 3.773 3.846 725 2HB ARG 99 1HB ARG 99 -4.713 3.221 4.587 726 1HG ARG 99 2HG ARG 99 -2.230 1.678 3.972 727 2HG ARG 99 1HG ARG 99 -3.109 1.830 5.496 728 1HD ARG 99 2HD ARG 99 -4.497 0.563 3.201 729 2HD ARG 99 1HD ARG 99 -3.242 -0.360 4.028 730 HE ARG 99 HE ARG 99 -5.759 0.603 5.199 731 1HH1 ARG 99 2HH1 ARG 99 -2.779 -1.231 5.546 732 2HH1 ARG 99 1HH1 ARG 99 -3.351 -2.125 6.929 733 1HH2 ARG 99 2HH2 ARG 99 -6.472 -0.530 7.030 734 2HH2 ARG 99 1HH2 ARG 99 -5.451 -1.724 7.774 735 H LEU 100 H LEU 100 -6.586 1.957 1.230 736 HA LEU 100 HA LEU 100 -8.099 4.372 1.508 737 1HB LEU 100 2HB LEU 100 -8.104 2.537 -0.388 738 2HB LEU 100 1HB LEU 100 -9.413 1.877 0.576 739 HG LEU 100 HG LEU 100 -10.220 4.424 0.454 740 1HD1 LEU 100 1HD1 LEU 100 -9.776 5.401 -1.695 741 2HD1 LEU 100 2HD1 LEU 100 -8.238 5.075 -0.890 742 3HD1 LEU 100 3HD1 LEU 100 -8.806 4.010 -2.177 743 1HD2 LEU 100 1HD2 LEU 100 -11.535 2.477 -0.185 744 2HD2 LEU 100 2HD2 LEU 100 -11.678 3.749 -1.397 745 3HD2 LEU 100 3HD2 LEU 100 -10.644 2.353 -1.701 746 H GLU 101 H GLU 101 -10.473 4.173 2.098 747 HA GLU 101 HA GLU 101 -10.515 2.958 4.766 748 1HB GLU 101 2HB GLU 101 -12.061 5.392 3.910 749 2HB GLU 101 1HB GLU 101 -11.729 4.838 5.547 750 1HG GLU 101 2HG GLU 101 -9.383 5.388 3.866 751 2HG GLU 101 1HG GLU 101 -10.356 6.787 4.320 752 H ASN 102 H ASN 102 -11.969 1.500 5.231 753 HA ASN 102 HA ASN 102 -14.107 0.873 3.416 754 1HB ASN 102 2HB ASN 102 -12.774 -0.847 4.698 755 2HB ASN 102 1HB ASN 102 -13.602 -0.324 6.149 756 1HD2 ASN 102 1HD2 ASN 102 -13.604 -2.937 4.974 757 2HD2 ASN 102 2HD2 ASN 102 -15.235 -3.329 4.496 758 H THR 103 H THR 103 -13.722 2.551 6.445 759 HA THR 103 HA THR 103 -16.587 2.939 6.775 760 HB THR 103 HB THR 103 -14.302 4.241 8.265 761 HG1 THR 103 1HG THR 103 -15.492 1.741 8.479 762 1HG2 THR 103 1HG2 THR 103 -17.266 4.301 8.536 763 2HG2 THR 103 2HG2 THR 103 -16.080 5.586 8.772 764 3HG2 THR 103 3HG2 THR 103 -16.287 4.338 10.001 765 H GLN 104 H GLN 104 -13.754 5.077 6.356 766 HA GLN 104 HA GLN 104 -15.458 7.241 5.498 767 1HB GLN 104 2HB GLN 104 -12.513 7.493 5.237 768 2HB GLN 104 1HB GLN 104 -13.689 8.642 5.851 769 1HG GLN 104 2HG GLN 104 -12.763 6.198 7.338 770 2HG GLN 104 1HG GLN 104 -12.093 7.813 7.548 771 1HE2 GLN 104 1HE2 GLN 104 -13.042 6.590 9.710 772 2HE2 GLN 104 2HE2 GLN 104 -14.553 7.293 10.218 773 H PHE 105 H PHE 105 -15.784 5.232 3.713 774 HA PHE 105 HA PHE 105 -14.184 5.795 1.348 775 1HB PHE 105 2HB PHE 105 -15.079 3.498 1.832 776 2HB PHE 105 1HB PHE 105 -16.700 4.133 1.594 777 HD1 PHE 105 1HD PHE 105 -13.788 2.771 0.017 778 HD2 PHE 105 2HD PHE 105 -17.309 5.059 -0.689 779 HE1 PHE 105 1HE PHE 105 -13.627 2.277 -2.389 780 HE2 PHE 105 2HE PHE 105 -17.150 4.568 -3.095 781 HZ PHE 105 HZ PHE 105 -15.307 3.176 -3.949 782 H ASP 106 H ASP 106 -17.660 5.694 1.887 783 HA ASP 106 HA ASP 106 -18.054 8.434 1.164 784 1HB ASP 106 2HB ASP 106 -17.873 6.952 -1.035 785 2HB ASP 106 1HB ASP 106 -19.534 6.544 -0.620 786 H ALA 107 H ALA 107 -20.065 5.564 0.744 787 HA ALA 107 HA ALA 107 -22.009 4.874 1.712 788 1HB ALA 107 1HB ALA 107 -20.844 3.992 3.452 789 2HB ALA 107 2HB ALA 107 -20.144 5.542 3.917 790 3HB ALA 107 3HB ALA 107 -21.814 5.167 4.342 791 H ALA 108 H ALA 108 -22.903 6.916 0.579 792 HA ALA 108 HA ALA 108 -23.925 8.862 2.507 793 1HB ALA 108 1HB ALA 108 -22.976 9.226 0.005 794 2HB ALA 108 2HB ALA 108 -24.707 9.113 -0.318 795 3HB ALA 108 3HB ALA 108 -24.097 10.326 0.808 796 H ASN 109 H ASN 109 -26.283 9.373 0.742 797 HA ASN 109 HA ASN 109 -27.919 7.062 1.567 798 1HB ASN 109 2HB ASN 109 -28.172 9.320 2.844 799 2HB ASN 109 1HB ASN 109 -29.033 9.849 1.400 800 1HD2 ASN 109 1HD2 ASN 109 -31.009 10.042 2.384 801 2HD2 ASN 109 2HD2 ASN 109 -31.922 8.678 2.952 802 H GLY 110 H GLY 110 -26.782 7.079 -0.919 803 1HA GLY 110 1HA GLY 110 -29.163 7.325 -2.604 804 2HA GLY 110 2HA GLY 110 -27.703 8.151 -3.128 805 H ILE 111 H ILE 111 -27.391 6.941 -4.969 806 HA ILE 111 HA ILE 111 -26.866 4.069 -4.578 807 HB ILE 111 HB ILE 111 -26.878 4.956 -7.348 808 1HG1 ILE 111 2HG1 ILE 111 -28.648 6.454 -6.105 809 2HG1 ILE 111 1HG1 ILE 111 -29.045 5.708 -7.648 810 1HG2 ILE 111 1HG2 ILE 111 -26.977 2.611 -6.355 811 2HG2 ILE 111 2HG2 ILE 111 -28.686 2.934 -6.063 812 3HG2 ILE 111 3HG2 ILE 111 -28.054 2.961 -7.708 813 1HD1 ILE 111 1HD1 ILE 111 -29.719 3.987 -5.425 814 2HD1 ILE 111 2HD1 ILE 111 -30.505 5.563 -5.307 815 3HD1 ILE 111 3HD1 ILE 111 -30.724 4.573 -6.750 816 H ASP 112 H ASP 112 -25.114 6.388 -3.976 817 HA ASP 112 HA ASP 112 -22.961 6.005 -5.934 818 1HB ASP 112 2HB ASP 112 -23.826 8.329 -5.208 819 2HB ASP 112 1HB ASP 112 -22.954 8.034 -3.710 820 H ASP 113 H ASP 113 -23.916 4.406 -3.401 821 HA ASP 113 HA ASP 113 -21.430 4.317 -1.894 822 1HB ASP 113 2HB ASP 113 -23.479 4.068 -0.612 823 2HB ASP 113 1HB ASP 113 -23.991 2.722 -1.629 824 H GLU 114 H GLU 114 -19.870 3.488 -3.158 825 HA GLU 114 HA GLU 114 -20.409 1.021 -4.626 826 1HB GLU 114 2HB GLU 114 -19.010 3.390 -5.244 827 2HB GLU 114 1HB GLU 114 -17.799 2.126 -5.101 828 1HG GLU 114 2HG GLU 114 -19.669 0.874 -6.603 829 2HG GLU 114 1HG GLU 114 -19.871 2.544 -7.130
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