NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16063 | 1zdx | 6629 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 25 H GLY 25 -4.959 -14.323 -12.222 2 1HA GLY 25 1HA GLY 25 -6.551 -11.893 -12.848 3 2HA GLY 25 2HA GLY 25 -7.160 -13.555 -12.988 4 H GLN 26 H GLN 26 -8.676 -13.752 -11.304 5 HA GLN 26 HA GLN 26 -7.874 -12.913 -8.617 6 1HB GLN 26 1HB GLN 26 -10.241 -12.850 -8.981 7 2HB GLN 26 2HB GLN 26 -10.236 -14.520 -9.621 8 1HG GLN 26 1HG GLN 26 -11.109 -14.609 -7.432 9 2HG GLN 26 2HG GLN 26 -9.524 -15.353 -7.368 10 1HE2 GLN 26 1HE2 GLN 26 -7.743 -13.022 -6.861 11 2HE2 GLN 26 2HE2 GLN 26 -8.277 -12.584 -5.270 12 H GLU 27 H GLU 27 -6.202 -14.014 -7.753 13 HA GLU 27 HA GLU 27 -6.425 -16.956 -7.716 14 1HB GLU 27 1HB GLU 27 -3.863 -16.919 -8.028 15 2HB GLU 27 2HB GLU 27 -4.932 -16.689 -9.446 16 1HG GLU 27 1HG GLU 27 -4.540 -14.166 -9.064 17 2HG GLU 27 2HG GLU 27 -3.178 -14.637 -8.081 18 HE2 GLU 27 HE GLU 27 -3.105 -15.463 -12.036 19 H LEU 28 H LEU 28 -6.840 -14.621 -5.874 20 HA LEU 28 HA LEU 28 -6.094 -16.144 -3.510 21 1HB LEU 28 1HB LEU 28 -4.875 -13.465 -4.099 22 2HB LEU 28 2HB LEU 28 -5.289 -13.899 -2.416 23 HG LEU 28 HG LEU 28 -3.371 -15.493 -4.163 24 1HD1 LEU 28 1HD1 LEU 28 -2.517 -13.290 -3.687 25 2HD1 LEU 28 2HD1 LEU 28 -2.952 -13.459 -1.957 26 3HD1 LEU 28 3HD1 LEU 28 -1.676 -14.461 -2.699 27 1HD2 LEU 28 1HD2 LEU 28 -4.441 -16.807 -2.299 28 2HD2 LEU 28 2HD2 LEU 28 -2.724 -16.496 -2.022 29 3HD2 LEU 28 3HD2 LEU 28 -3.940 -15.530 -1.165 30 HA PRO 29 HA PRO 29 -10.192 -14.156 -3.095 31 1HB PRO 29 1HB PRO 29 -11.231 -15.785 -1.174 32 2HB PRO 29 2HB PRO 29 -11.030 -16.301 -2.880 33 1HG PRO 29 1HG PRO 29 -9.269 -16.924 -0.518 34 2HG PRO 29 2HG PRO 29 -9.808 -18.028 -1.825 35 1HD PRO 29 1HD PRO 29 -7.354 -16.669 -1.706 36 2HD PRO 29 2HD PRO 29 -8.030 -17.277 -3.215 37 HA PRO 30 HA PRO 30 -9.168 -11.263 -0.169 38 1HB PRO 30 1HB PRO 30 -11.478 -10.279 0.897 39 2HB PRO 30 2HB PRO 30 -11.090 -10.189 -0.864 40 1HG PRO 30 1HG PRO 30 -12.879 -12.167 0.427 41 2HG PRO 30 2HG PRO 30 -13.121 -11.182 -1.067 42 1HD PRO 30 1HD PRO 30 -12.207 -13.760 -1.134 43 2HD PRO 30 2HD PRO 30 -11.662 -12.538 -2.305 44 H GLY 31 H GLY 31 -9.494 -10.282 2.284 45 1HA GLY 31 1HA GLY 31 -10.013 -11.567 4.568 46 2HA GLY 31 2HA GLY 31 -8.607 -12.492 3.996 47 H THR 32 H THR 32 -7.404 -11.808 5.879 48 HA THR 32 HA THR 32 -5.909 -9.339 5.292 49 HB THR 32 HB THR 32 -7.384 -8.718 7.156 50 HG1 THR 32 1HG THR 32 -5.603 -8.055 8.529 51 1HG2 THR 32 1HG2 THR 32 -5.898 -10.695 8.922 52 2HG2 THR 32 2HG2 THR 32 -7.293 -9.659 9.317 53 3HG2 THR 32 3HG2 THR 32 -7.514 -11.037 8.241 54 H TYR 33 H TYR 33 -3.654 -9.482 5.686 55 HA TYR 33 HA TYR 33 -2.630 -12.181 6.449 56 1HB TYR 33 1HB TYR 33 -0.878 -11.728 4.587 57 2HB TYR 33 2HB TYR 33 -2.431 -12.522 4.247 58 HD1 TYR 33 1HD TYR 33 -0.959 -8.974 4.073 59 HD2 TYR 33 2HD TYR 33 -3.280 -12.051 2.167 60 HE1 TYR 33 1HE TYR 33 -1.626 -7.408 2.255 61 HE2 TYR 33 2HE TYR 33 -3.800 -10.500 0.342 62 HH TYR 33 HH TYR 33 -3.246 -8.210 -0.647 63 H ARG 34 H ARG 34 -0.945 -12.159 7.831 64 HA ARG 34 HA ARG 34 0.159 -9.638 8.774 65 1HB ARG 34 1HB ARG 34 -0.418 -11.396 10.360 66 2HB ARG 34 2HB ARG 34 0.597 -12.574 9.494 67 1HG ARG 34 1HG ARG 34 1.635 -11.867 11.569 68 2HG ARG 34 2HG ARG 34 2.611 -11.380 10.167 69 1HD ARG 34 1HD ARG 34 2.673 -9.326 11.043 70 2HD ARG 34 2HD ARG 34 0.937 -9.187 10.689 71 HE ARG 34 HE ARG 34 0.392 -9.720 12.912 72 1HH1 ARG 34 2HH2 ARG 34 3.916 -9.718 12.743 73 2HH1 ARG 34 1HH2 ARG 34 4.134 -8.766 14.183 74 1HH2 ARG 34 2HH1 ARG 34 0.649 -8.885 14.907 75 2HH2 ARG 34 1HH1 ARG 34 2.203 -8.458 15.582 76 H VAL 35 H VAL 35 1.848 -8.669 7.743 77 HA VAL 35 HA VAL 35 3.989 -10.179 6.440 78 HB VAL 35 HB VAL 35 3.524 -9.127 4.235 79 1HG1 VAL 35 1HG1 VAL 35 1.063 -10.683 5.048 80 2HG1 VAL 35 2HG1 VAL 35 1.797 -10.527 3.466 81 3HG1 VAL 35 3HG1 VAL 35 2.655 -11.416 4.714 82 1HG2 VAL 35 1HG2 VAL 35 1.255 -8.148 3.785 83 2HG2 VAL 35 2HG2 VAL 35 0.907 -8.176 5.515 84 3HG2 VAL 35 3HG2 VAL 35 2.217 -7.155 4.896 85 H ASP 36 H ASP 36 5.444 -8.499 5.258 86 HA ASP 36 HA ASP 36 5.730 -6.125 7.019 87 1HB ASP 36 1HB ASP 36 7.997 -7.003 5.329 88 2HB ASP 36 2HB ASP 36 7.945 -6.298 6.967 89 HD2 ASP 36 HD ASP 36 7.644 -9.535 8.412 90 H ILE 37 H ILE 37 5.195 -4.241 6.032 91 HA ILE 37 HA ILE 37 4.660 -3.980 3.168 92 HB ILE 37 HB ILE 37 4.874 -1.943 5.417 93 1HG1 ILE 37 1HG1 ILE 37 2.267 -2.106 4.291 94 2HG1 ILE 37 2HG1 ILE 37 2.786 -3.786 4.527 95 1HG2 ILE 37 1HG2 ILE 37 3.812 -0.329 3.851 96 2HG2 ILE 37 2HG2 ILE 37 5.407 -0.786 3.312 97 3HG2 ILE 37 3HG2 ILE 37 3.999 -1.483 2.507 98 1HD1 ILE 37 1HD1 ILE 37 2.677 -1.654 6.682 99 2HD1 ILE 37 2HD1 ILE 37 1.550 -3.007 6.465 100 3HD1 ILE 37 3HD1 ILE 37 3.222 -3.342 6.910 101 H TYR 38 H TYR 38 6.227 -3.650 1.634 102 HA TYR 38 HA TYR 38 8.869 -2.522 2.438 103 1HB TYR 38 1HB TYR 38 8.170 -5.007 1.009 104 2HB TYR 38 2HB TYR 38 9.392 -4.018 0.186 105 HD1 TYR 38 1HD TYR 38 8.690 -5.618 3.518 106 HD2 TYR 38 2HD TYR 38 11.602 -4.070 0.734 107 HE1 TYR 38 1HE TYR 38 10.534 -6.540 4.914 108 HE2 TYR 38 2HE TYR 38 13.419 -4.983 2.113 109 HH TYR 38 HH TYR 38 12.878 -6.963 4.975 110 H LEU 39 H LEU 39 8.337 -0.400 1.837 111 HA LEU 39 HA LEU 39 7.166 0.111 -0.841 112 1HB LEU 39 1HB LEU 39 6.438 1.483 1.119 113 2HB LEU 39 2HB LEU 39 8.128 2.003 1.327 114 HG LEU 39 HG LEU 39 7.776 2.670 -1.305 115 1HD1 LEU 39 1HD1 LEU 39 5.565 3.659 -1.584 116 2HD1 LEU 39 2HD1 LEU 39 5.503 1.892 -1.500 117 3HD1 LEU 39 3HD1 LEU 39 5.005 2.884 -0.104 118 1HD2 LEU 39 1HD2 LEU 39 6.863 4.422 0.969 119 2HD2 LEU 39 2HD2 LEU 39 8.543 4.163 0.452 120 3HD2 LEU 39 3HD2 LEU 39 7.395 4.920 -0.654 121 H ASN 40 H ASN 40 8.447 0.374 -2.569 122 HA ASN 40 HA ASN 40 10.316 0.641 -3.852 123 1HB ASN 40 1HB ASN 40 10.846 2.846 -1.817 124 2HB ASN 40 2HB ASN 40 11.653 2.685 -3.395 125 1HD2 ASN 40 1HD2 ASN 40 10.037 5.009 -2.450 126 2HD2 ASN 40 2HD2 ASN 40 8.735 5.128 -3.617 127 H ASN 41 H ASN 41 10.431 -1.456 -2.281 128 HA ASN 41 HA ASN 41 11.700 -3.030 -1.352 129 1HB ASN 41 1HB ASN 41 13.753 -1.592 -3.031 130 2HB ASN 41 2HB ASN 41 14.093 -3.101 -2.154 131 1HD2 ASN 41 1HD2 ASN 41 12.638 -1.766 -5.002 132 2HD2 ASN 41 2HD2 ASN 41 11.824 -3.208 -5.524 133 H GLY 42 H GLY 42 11.123 -0.859 0.395 134 1HA GLY 42 1HA GLY 42 13.376 -1.049 2.319 135 2HA GLY 42 2HA GLY 42 12.534 0.478 1.950 136 H TYR 43 H TYR 43 12.576 -2.164 3.980 137 HA TYR 43 HA TYR 43 9.905 -2.791 4.634 138 1HB TYR 43 1HB TYR 43 11.783 -3.990 5.524 139 2HB TYR 43 2HB TYR 43 12.496 -2.514 6.200 140 HD1 TYR 43 1HD TYR 43 12.598 -2.760 8.503 141 HD2 TYR 43 2HD TYR 43 9.012 -3.992 6.431 142 HE1 TYR 43 1HE TYR 43 11.487 -3.134 10.669 143 HE2 TYR 43 2HE TYR 43 7.912 -4.378 8.569 144 HH TYR 43 HH TYR 43 9.623 -4.144 11.670 145 H MET 44 H MET 44 8.325 -1.563 5.421 146 HA MET 44 HA MET 44 8.868 1.058 6.740 147 1HB MET 44 1HB MET 44 6.486 -0.017 5.199 148 2HB MET 44 2HB MET 44 6.406 1.494 6.133 149 1HG MET 44 1HG MET 44 8.457 0.989 3.958 150 2HG MET 44 2HG MET 44 6.891 1.772 3.676 151 1HE MET 44 1HE MET 44 9.524 3.244 2.803 152 2HE MET 44 2HE MET 44 10.426 4.091 4.079 153 3HE MET 44 3HE MET 44 10.433 2.320 4.024 154 H ALA 45 H ALA 45 6.509 -1.721 6.970 155 HA ALA 45 HA ALA 45 6.580 -1.572 9.888 156 1HB ALA 45 1HB ALA 45 4.058 -0.880 8.334 157 2HB ALA 45 2HB ALA 45 4.129 -1.213 10.071 158 3HB ALA 45 3HB ALA 45 4.967 0.196 9.416 159 H THR 46 H THR 46 5.337 -3.273 10.877 160 HA THR 46 HA THR 46 4.894 -5.649 9.132 161 HB THR 46 HB THR 46 5.990 -5.540 11.988 162 HG1 THR 46 1HG THR 46 7.666 -5.095 10.677 163 1HG2 THR 46 1HG2 THR 46 4.592 -7.531 11.611 164 2HG2 THR 46 2HG2 THR 46 5.470 -7.886 10.108 165 3HG2 THR 46 3HG2 THR 46 6.297 -7.986 11.680 166 H ARG 47 H ARG 47 2.750 -6.300 9.291 167 HA ARG 47 HA ARG 47 1.276 -6.252 11.701 168 1HB ARG 47 1HB ARG 47 -0.500 -4.597 10.501 169 2HB ARG 47 2HB ARG 47 0.602 -4.119 11.790 170 1HG ARG 47 1HG ARG 47 1.849 -2.786 10.359 171 2HG ARG 47 2HG ARG 47 1.563 -3.806 8.933 172 1HD ARG 47 1HD ARG 47 0.463 -1.694 8.646 173 2HD ARG 47 2HD ARG 47 -0.732 -2.978 8.754 174 HE ARG 47 HE ARG 47 -0.041 -0.931 10.810 175 1HH1 ARG 47 2HH2 ARG 47 -2.387 -3.476 9.785 176 2HH1 ARG 47 1HH2 ARG 47 -3.513 -3.012 10.995 177 1HH2 ARG 47 2HH1 ARG 47 -1.598 -0.367 12.343 178 2HH2 ARG 47 1HH1 ARG 47 -3.237 -0.843 12.118 179 H ASP 48 H ASP 48 -1.178 -6.429 10.974 180 HA ASP 48 HA ASP 48 -1.374 -8.259 8.694 181 1HB ASP 48 1HB ASP 48 -3.402 -8.961 9.473 182 2HB ASP 48 2HB ASP 48 -2.503 -8.688 10.984 183 HD2 ASP 48 HD ASP 48 -4.495 -5.915 11.789 184 H VAL 49 H VAL 49 -2.641 -7.650 6.952 185 HA VAL 49 HA VAL 49 -3.415 -4.807 6.668 186 HB VAL 49 HB VAL 49 -1.867 -6.267 4.499 187 1HG1 VAL 49 1HG1 VAL 49 -2.157 -3.300 5.176 188 2HG1 VAL 49 2HG1 VAL 49 -1.371 -3.990 3.745 189 3HG1 VAL 49 3HG1 VAL 49 -3.136 -4.166 3.977 190 1HG2 VAL 49 1HG2 VAL 49 -0.275 -6.235 6.351 191 2HG2 VAL 49 2HG2 VAL 49 0.159 -5.026 5.141 192 3HG2 VAL 49 3HG2 VAL 49 -0.635 -4.514 6.647 193 H THR 50 H THR 50 -5.612 -5.143 6.531 194 HA THR 50 HA THR 50 -6.800 -7.477 5.371 195 HB THR 50 HB THR 50 -8.017 -4.705 5.588 196 HG1 THR 50 1HG THR 50 -8.704 -5.973 7.723 197 1HG2 THR 50 1HG2 THR 50 -9.350 -6.483 4.427 198 2HG2 THR 50 2HG2 THR 50 -9.247 -7.481 5.891 199 3HG2 THR 50 3HG2 THR 50 -10.100 -5.923 5.917 200 H PHE 51 H PHE 51 -7.138 -7.887 3.101 201 HA PHE 51 HA PHE 51 -6.896 -5.661 1.239 202 1HB PHE 51 1HB PHE 51 -6.716 -7.701 -0.338 203 2HB PHE 51 2HB PHE 51 -5.359 -7.289 0.736 204 HD1 PHE 51 1HD PHE 51 -7.152 -9.997 -0.559 205 HD2 PHE 51 2HD PHE 51 -5.248 -8.689 3.052 206 HE1 PHE 51 1HE PHE 51 -6.963 -12.279 0.150 207 HE2 PHE 51 2HE PHE 51 -5.146 -11.051 3.765 208 HZ PHE 51 HZ PHE 51 -6.051 -12.858 2.392 209 H ASN 52 H ASN 52 -8.355 -5.791 -0.701 210 HA ASN 52 HA ASN 52 -10.992 -6.987 -0.255 211 1HB ASN 52 1HB ASN 52 -10.561 -4.051 -0.799 212 2HB ASN 52 2HB ASN 52 -11.925 -4.900 -1.571 213 1HD2 ASN 52 1HD2 ASN 52 -10.401 -4.836 1.645 214 2HD2 ASN 52 2HD2 ASN 52 -11.811 -4.569 2.580 215 H THR 53 H THR 53 -12.080 -7.404 -2.382 216 HA THR 53 HA THR 53 -10.218 -8.399 -4.223 217 HB THR 53 HB THR 53 -12.957 -8.078 -5.252 218 HG1 THR 53 1HG THR 53 -13.890 -9.395 -3.683 219 1HG2 THR 53 1HG2 THR 53 -12.790 -10.561 -5.258 220 2HG2 THR 53 2HG2 THR 53 -11.275 -9.884 -5.868 221 3HG2 THR 53 3HG2 THR 53 -11.389 -10.508 -4.195 222 H GLY 54 H GLY 54 -9.848 -7.805 -6.498 223 1HA GLY 54 1HA GLY 54 -10.327 -5.081 -7.301 224 2HA GLY 54 2HA GLY 54 -8.738 -5.313 -6.548 225 H ASP 55 H ASP 55 -7.832 -4.714 -8.554 226 HA ASP 55 HA ASP 55 -7.772 -6.809 -10.662 227 1HB ASP 55 1HB ASP 55 -8.816 -4.101 -10.823 228 2HB ASP 55 2HB ASP 55 -7.370 -4.237 -11.821 229 HD2 ASP 55 HD ASP 55 -9.233 -6.823 -13.677 230 H SER 56 H SER 56 -5.705 -7.422 -10.673 231 HA SER 56 HA SER 56 -3.452 -6.274 -11.267 232 1HB SER 56 1HB SER 56 -3.659 -6.070 -8.247 233 2HB SER 56 2HB SER 56 -2.105 -6.134 -9.111 234 HG SER 56 HG SER 56 -4.166 -4.275 -9.613 235 H GLU 57 H GLU 57 -1.514 -7.729 -10.321 236 HA GLU 57 HA GLU 57 -1.379 -10.173 -11.061 237 1HB GLU 57 1HB GLU 57 -0.438 -9.386 -8.289 238 2HB GLU 57 2HB GLU 57 0.245 -10.693 -9.253 239 1HG GLU 57 1HG GLU 57 0.304 -7.764 -10.068 240 2HG GLU 57 2HG GLU 57 1.582 -8.563 -9.119 241 HE2 GLU 57 HE GLU 57 3.032 -9.095 -12.215 242 H GLN 58 H GLN 58 -2.371 -9.764 -7.679 243 HA GLN 58 HA GLN 58 -3.119 -12.561 -7.315 244 1HB GLN 58 1HB GLN 58 -3.384 -10.113 -5.563 245 2HB GLN 58 2HB GLN 58 -3.491 -11.792 -5.029 246 1HG GLN 58 1HG GLN 58 -1.270 -11.848 -4.704 247 2HG GLN 58 2HG GLN 58 -0.941 -11.407 -6.376 248 1HE2 GLN 58 1HE2 GLN 58 -2.010 -9.896 -3.273 249 2HE2 GLN 58 2HE2 GLN 58 -1.369 -8.313 -3.654 250 H GLY 59 H GLY 59 -4.880 -9.784 -8.376 251 1HA GLY 59 1HA GLY 59 -7.122 -9.426 -8.749 252 2HA GLY 59 2HA GLY 59 -7.442 -11.037 -8.102 253 H ILE 60 H ILE 60 -5.683 -8.978 -5.989 254 HA ILE 60 HA ILE 60 -7.961 -7.911 -4.504 255 HB ILE 60 HB ILE 60 -6.872 -8.936 -2.377 256 1HG1 ILE 60 1HG1 ILE 60 -5.981 -11.155 -4.252 257 2HG1 ILE 60 2HG1 ILE 60 -4.858 -9.841 -3.862 258 1HG2 ILE 60 1HG2 ILE 60 -8.279 -10.875 -4.293 259 2HG2 ILE 60 2HG2 ILE 60 -8.196 -11.032 -2.533 260 3HG2 ILE 60 3HG2 ILE 60 -9.103 -9.728 -3.271 261 1HD1 ILE 60 1HD1 ILE 60 -6.129 -11.737 -1.881 262 2HD1 ILE 60 2HD1 ILE 60 -4.424 -11.697 -2.402 263 3HD1 ILE 60 3HD1 ILE 60 -5.078 -10.358 -1.471 264 H VAL 61 H VAL 61 -7.209 -6.159 -3.007 265 HA VAL 61 HA VAL 61 -4.300 -5.608 -3.020 266 HB VAL 61 HB VAL 61 -4.702 -3.203 -3.386 267 1HG1 VAL 61 1HG1 VAL 61 -3.993 -4.721 -5.268 268 2HG1 VAL 61 2HG1 VAL 61 -5.701 -4.769 -5.769 269 3HG1 VAL 61 3HG1 VAL 61 -4.827 -3.234 -5.763 270 1HG2 VAL 61 1HG2 VAL 61 -7.519 -3.992 -4.232 271 2HG2 VAL 61 2HG2 VAL 61 -7.087 -3.020 -2.800 272 3HG2 VAL 61 3HG2 VAL 61 -6.759 -2.391 -4.403 273 HA PRO 62 HA PRO 62 -4.970 -4.838 1.320 274 1HB PRO 62 1HB PRO 62 -2.967 -3.142 1.933 275 2HB PRO 62 2HB PRO 62 -2.809 -4.901 1.646 276 1HG PRO 62 1HG PRO 62 -2.282 -2.639 -0.271 277 2HG PRO 62 2HG PRO 62 -1.293 -4.105 0.046 278 1HD PRO 62 1HD PRO 62 -2.979 -3.916 -2.088 279 2HD PRO 62 2HD PRO 62 -2.737 -5.459 -1.226 280 H CYS 63 H CYS 63 -5.779 -3.423 2.786 281 HA CYS 63 HA CYS 63 -7.434 -1.167 1.926 282 1HB CYS 63 1HB CYS 63 -7.098 -2.720 4.508 283 2HB CYS 63 2HB CYS 63 -8.311 -1.449 4.240 284 HG CYS 63 HG CYS 63 -9.471 -3.788 4.275 285 H LEU 64 H LEU 64 -5.176 -0.009 1.566 286 HA LEU 64 HA LEU 64 -3.735 0.730 4.027 287 1HB LEU 64 1HB LEU 64 -3.336 1.729 1.185 288 2HB LEU 64 2HB LEU 64 -2.206 1.870 2.549 289 HG LEU 64 HG LEU 64 -3.112 -0.748 1.314 290 1HD1 LEU 64 1HD1 LEU 64 -0.887 -0.854 0.240 291 2HD1 LEU 64 2HD1 LEU 64 -1.826 0.518 -0.328 292 3HD1 LEU 64 3HD1 LEU 64 -0.518 0.772 0.856 293 1HD2 LEU 64 1HD2 LEU 64 -2.437 -1.114 3.590 294 2HD2 LEU 64 2HD2 LEU 64 -1.134 -1.690 2.543 295 3HD2 LEU 64 3HD2 LEU 64 -0.983 -0.132 3.374 296 H THR 65 H THR 65 -3.950 2.690 5.084 297 HA THR 65 HA THR 65 -6.285 4.258 4.247 298 HB THR 65 HB THR 65 -6.624 4.728 6.502 299 HG1 THR 65 1HG THR 65 -5.147 4.615 8.014 300 1HG2 THR 65 1HG2 THR 65 -7.085 2.280 6.028 301 2HG2 THR 65 2HG2 THR 65 -5.421 1.849 6.390 302 3HG2 THR 65 3HG2 THR 65 -6.445 2.447 7.677 303 H ARG 66 H ARG 66 -6.187 6.752 5.126 304 HA ARG 66 HA ARG 66 -4.061 7.937 3.769 305 1HB ARG 66 1HB ARG 66 -6.219 9.095 4.528 306 2HB ARG 66 2HB ARG 66 -5.422 9.335 6.097 307 1HG ARG 66 1HG ARG 66 -4.114 10.993 5.283 308 2HG ARG 66 2HG ARG 66 -3.629 10.004 3.870 309 1HD ARG 66 1HD ARG 66 -4.670 11.553 2.677 310 2HD ARG 66 2HD ARG 66 -6.109 10.617 3.127 311 HE ARG 66 HE ARG 66 -6.837 12.326 4.433 312 1HH1 ARG 66 2HH2 ARG 66 -3.283 13.001 4.104 313 2HH1 ARG 66 1HH2 ARG 66 -3.467 14.373 5.095 314 1HH2 ARG 66 2HH1 ARG 66 -6.958 14.308 5.314 315 2HH2 ARG 66 1HH1 ARG 66 -5.548 15.300 5.571 316 H ALA 67 H ALA 67 -4.349 7.313 7.257 317 HA ALA 67 HA ALA 67 -1.888 8.453 7.987 318 1HB ALA 67 1HB ALA 67 -1.909 6.911 9.927 319 2HB ALA 67 2HB ALA 67 -3.470 7.756 9.705 320 3HB ALA 67 3HB ALA 67 -3.293 6.055 9.216 321 H GLN 68 H GLN 68 -2.593 5.008 7.164 322 HA GLN 68 HA GLN 68 -0.035 3.985 7.586 323 1HB GLN 68 1HB GLN 68 -2.098 3.130 5.534 324 2HB GLN 68 2HB GLN 68 -0.787 2.114 6.116 325 1HG GLN 68 1HG GLN 68 -2.791 3.254 8.059 326 2HG GLN 68 2HG GLN 68 -3.230 1.878 7.020 327 1HE2 GLN 68 1HE2 GLN 68 -1.857 -0.150 7.240 328 2HE2 GLN 68 2HE2 GLN 68 -1.337 -0.468 8.865 329 H LEU 69 H LEU 69 -1.470 5.320 4.615 330 HA LEU 69 HA LEU 69 0.822 4.829 2.945 331 1HB LEU 69 1HB LEU 69 -1.533 6.739 2.674 332 2HB LEU 69 2HB LEU 69 -0.339 6.424 1.395 333 HG LEU 69 HG LEU 69 -1.962 4.250 2.699 334 1HD1 LEU 69 1HD1 LEU 69 -3.339 4.256 0.597 335 2HD1 LEU 69 2HD1 LEU 69 -3.563 5.684 1.587 336 3HD1 LEU 69 3HD1 LEU 69 -2.542 5.775 0.120 337 1HD2 LEU 69 1HD2 LEU 69 -0.178 3.214 1.812 338 2HD2 LEU 69 2HD2 LEU 69 -1.385 3.029 0.580 339 3HD2 LEU 69 3HD2 LEU 69 -0.114 4.266 0.363 340 H ALA 70 H ALA 70 -0.427 7.818 4.498 341 HA ALA 70 HA ALA 70 1.755 9.429 3.667 342 1HB ALA 70 1HB ALA 70 -0.452 10.263 4.474 343 2HB ALA 70 2HB ALA 70 -0.013 9.747 6.125 344 3HB ALA 70 3HB ALA 70 0.936 11.002 5.295 345 H SER 71 H SER 71 1.583 6.952 6.079 346 HA SER 71 HA SER 71 3.667 7.964 7.827 347 1HB SER 71 1HB SER 71 2.092 6.287 8.581 348 2HB SER 71 2HB SER 71 2.641 5.127 7.379 349 HG SER 71 HG SER 71 4.071 4.568 8.822 350 H MET 72 H MET 72 3.654 5.818 4.920 351 HA MET 72 HA MET 72 6.520 5.412 4.892 352 1HB MET 72 1HB MET 72 5.228 5.273 2.291 353 2HB MET 72 2HB MET 72 6.248 4.108 3.151 354 1HG MET 72 1HG MET 72 4.129 3.691 4.600 355 2HG MET 72 2HG MET 72 3.325 4.594 3.272 356 1HE MET 72 1HE MET 72 2.382 3.595 1.335 357 2HE MET 72 2HE MET 72 1.964 1.869 1.495 358 3HE MET 72 3HE MET 72 1.753 2.978 2.872 359 H GLY 73 H GLY 73 4.810 8.293 4.519 360 1HA GLY 73 1HA GLY 73 5.599 10.340 3.723 361 2HA GLY 73 2HA GLY 73 6.891 9.516 2.835 362 H LEU 74 H LEU 74 3.674 8.114 2.337 363 HA LEU 74 HA LEU 74 3.661 8.795 -0.406 364 1HB LEU 74 1HB LEU 74 2.364 6.998 0.096 365 2HB LEU 74 2HB LEU 74 1.533 7.844 1.411 366 HG LEU 74 HG LEU 74 0.283 7.265 -0.680 367 1HD1 LEU 74 1HD1 LEU 74 -1.300 8.423 0.201 368 2HD1 LEU 74 2HD1 LEU 74 -0.132 9.186 1.264 369 3HD1 LEU 74 3HD1 LEU 74 -0.565 9.960 -0.269 370 1HD2 LEU 74 1HD2 LEU 74 0.955 9.851 -1.952 371 2HD2 LEU 74 2HD2 LEU 74 1.888 8.396 -2.317 372 3HD2 LEU 74 3HD2 LEU 74 0.142 8.428 -2.567 373 H ASN 75 H ASN 75 2.943 10.628 -1.389 374 HA ASN 75 HA ASN 75 2.333 12.983 0.327 375 1HB ASN 75 1HB ASN 75 4.097 13.152 -1.458 376 2HB ASN 75 2HB ASN 75 2.834 12.994 -2.683 377 1HD2 ASN 75 1HD2 ASN 75 4.142 15.349 -2.906 378 2HD2 ASN 75 2HD2 ASN 75 3.150 16.637 -2.258 379 H THR 76 H THR 76 0.125 12.610 0.875 380 HA THR 76 HA THR 76 -1.884 11.943 -1.035 381 HB THR 76 HB THR 76 -3.401 12.847 0.818 382 HG1 THR 76 1HG THR 76 -2.025 14.562 1.610 383 1HG2 THR 76 1HG2 THR 76 -2.543 10.560 1.155 384 2HG2 THR 76 2HG2 THR 76 -1.046 11.192 1.853 385 3HG2 THR 76 3HG2 THR 76 -2.545 11.431 2.692 386 H ALA 77 H ALA 77 -0.303 15.085 -0.311 387 HA ALA 77 HA ALA 77 -2.433 16.637 -1.527 388 1HB ALA 77 1HB ALA 77 -0.811 18.470 -1.419 389 2HB ALA 77 2HB ALA 77 -0.909 17.625 0.137 390 3HB ALA 77 3HB ALA 77 0.481 17.339 -0.955 391 H SER 78 H SER 78 0.084 14.603 -2.880 392 HA SER 78 HA SER 78 0.281 16.122 -5.369 393 1HB SER 78 1HB SER 78 1.463 14.230 -6.244 394 2HB SER 78 2HB SER 78 2.113 14.587 -4.648 395 HG SER 78 HG SER 78 0.755 12.854 -3.837 396 H VAL 79 H VAL 79 -2.318 14.169 -4.015 397 HA VAL 79 HA VAL 79 -3.387 13.692 -6.700 398 HB VAL 79 HB VAL 79 -2.359 11.826 -6.198 399 1HG1 VAL 79 1HG1 VAL 79 -2.789 11.898 -3.273 400 2HG1 VAL 79 2HG1 VAL 79 -2.219 10.467 -4.181 401 3HG1 VAL 79 3HG1 VAL 79 -1.279 11.923 -4.229 402 1HG2 VAL 79 1HG2 VAL 79 -5.101 11.284 -5.073 403 2HG2 VAL 79 2HG2 VAL 79 -4.612 11.305 -6.767 404 3HG2 VAL 79 3HG2 VAL 79 -3.991 10.042 -5.712 405 H ALA 80 H ALA 80 -4.697 15.394 -6.629 406 HA ALA 80 HA ALA 80 -6.131 16.367 -4.395 407 1HB ALA 80 1HB ALA 80 -5.595 17.765 -6.342 408 2HB ALA 80 2HB ALA 80 -6.649 16.777 -7.374 409 3HB ALA 80 3HB ALA 80 -7.342 17.734 -6.058 410 H GLY 81 H GLY 81 -7.340 14.912 -3.361 411 1HA GLY 81 1HA GLY 81 -9.813 14.005 -3.567 412 2HA GLY 81 2HA GLY 81 -9.095 13.050 -4.874 413 H MET 82 H MET 82 -6.497 13.176 -2.931 414 HA MET 82 HA MET 82 -7.271 10.776 -1.357 415 1HB MET 82 1HB MET 82 -5.230 10.836 -2.836 416 2HB MET 82 2HB MET 82 -4.556 12.099 -1.787 417 1HG MET 82 1HG MET 82 -4.409 10.658 0.061 418 2HG MET 82 2HG MET 82 -5.520 9.470 -0.627 419 1HE MET 82 1HE MET 82 -3.563 7.550 -3.205 420 2HE MET 82 2HE MET 82 -5.130 8.038 -2.506 421 3HE MET 82 3HE MET 82 -4.307 9.102 -3.669 422 H ASN 83 H ASN 83 -6.149 14.117 -1.040 423 HA ASN 83 HA ASN 83 -5.404 13.822 1.679 424 1HB ASN 83 1HB ASN 83 -4.896 16.261 1.429 425 2HB ASN 83 2HB ASN 83 -4.278 15.351 0.050 426 1HD2 ASN 83 1HD2 ASN 83 -6.272 18.053 0.997 427 2HD2 ASN 83 2HD2 ASN 83 -7.218 18.151 -0.458 428 H LEU 84 H LEU 84 -8.377 13.569 0.895 429 HA LEU 84 HA LEU 84 -9.517 15.318 2.972 430 1HB LEU 84 1HB LEU 84 -11.632 15.197 1.526 431 2HB LEU 84 2HB LEU 84 -10.393 16.417 1.230 432 HG LEU 84 HG LEU 84 -11.437 15.360 -0.772 433 1HD1 LEU 84 1HD1 LEU 84 -9.604 15.992 -1.901 434 2HD1 LEU 84 2HD1 LEU 84 -8.855 16.201 -0.297 435 3HD1 LEU 84 3HD1 LEU 84 -8.601 14.711 -1.182 436 1HD2 LEU 84 1HD2 LEU 84 -11.447 12.977 0.125 437 2HD2 LEU 84 2HD2 LEU 84 -10.876 13.200 -1.529 438 3HD2 LEU 84 3HD2 LEU 84 -9.703 12.917 -0.243 439 H LEU 85 H LEU 85 -8.957 12.081 2.144 440 HA LEU 85 HA LEU 85 -11.569 11.133 3.158 441 1HB LEU 85 1HB LEU 85 -10.890 8.926 2.238 442 2HB LEU 85 2HB LEU 85 -11.350 10.256 1.156 443 HG LEU 85 HG LEU 85 -8.918 10.676 0.758 444 1HD1 LEU 85 1HD1 LEU 85 -8.069 9.852 2.843 445 2HD1 LEU 85 2HD1 LEU 85 -8.707 8.234 2.552 446 3HD1 LEU 85 3HD1 LEU 85 -7.330 8.854 1.580 447 1HD2 LEU 85 1HD2 LEU 85 -10.022 9.297 -0.854 448 2HD2 LEU 85 2HD2 LEU 85 -8.327 8.847 -0.607 449 3HD2 LEU 85 3HD2 LEU 85 -9.634 7.829 0.094 450 H ALA 86 H ALA 86 -11.493 8.974 4.258 451 HA ALA 86 HA ALA 86 -10.682 9.838 6.694 452 1HB ALA 86 1HB ALA 86 -11.476 6.958 6.052 453 2HB ALA 86 2HB ALA 86 -11.557 7.727 7.637 454 3HB ALA 86 3HB ALA 86 -12.607 8.300 6.330 455 H ASP 87 H ASP 87 -9.223 9.027 8.330 456 HA ASP 87 HA ASP 87 -6.656 8.020 7.374 457 1HB ASP 87 1HB ASP 87 -7.771 8.721 10.119 458 2HB ASP 87 2HB ASP 87 -6.123 8.082 9.870 459 HD2 ASP 87 HD ASP 87 -4.943 11.092 8.653 460 H ASP 88 H ASP 88 -9.516 6.361 8.013 461 HA ASP 88 HA ASP 88 -7.937 3.899 7.947 462 1HB ASP 88 1HB ASP 88 -10.221 4.580 9.746 463 2HB ASP 88 2HB ASP 88 -9.918 2.914 9.228 464 HD2 ASP 88 HD ASP 88 -8.265 3.645 12.399 465 H ALA 89 H ALA 89 -8.962 5.585 5.768 466 HA ALA 89 HA ALA 89 -11.354 4.245 4.687 467 1HB ALA 89 1HB ALA 89 -10.679 5.427 2.587 468 2HB ALA 89 2HB ALA 89 -10.849 6.537 3.950 469 3HB ALA 89 3HB ALA 89 -9.231 6.033 3.419 470 H CYS 90 H CYS 90 -11.227 2.812 2.807 471 HA CYS 90 HA CYS 90 -8.676 1.290 2.506 472 1HB CYS 90 1HB CYS 90 -11.421 0.946 1.245 473 2HB CYS 90 2HB CYS 90 -10.001 -0.069 0.903 474 HG CYS 90 HG CYS 90 -11.722 -1.407 2.350 475 H VAL 91 H VAL 91 -7.496 3.200 1.764 476 HA VAL 91 HA VAL 91 -8.594 4.944 -0.196 477 HB VAL 91 HB VAL 91 -5.676 4.463 0.555 478 1HG1 VAL 91 1HG1 VAL 91 -5.243 6.720 -0.281 479 2HG1 VAL 91 2HG1 VAL 91 -5.823 5.694 -1.581 480 3HG1 VAL 91 3HG1 VAL 91 -6.923 6.871 -0.829 481 1HG2 VAL 91 1HG2 VAL 91 -6.023 6.493 1.993 482 2HG2 VAL 91 2HG2 VAL 91 -7.742 6.471 1.536 483 3HG2 VAL 91 3HG2 VAL 91 -7.061 5.156 2.488 484 HA PRO 92 HA PRO 92 -7.565 2.386 -3.804 485 1HB PRO 92 1HB PRO 92 -8.247 4.061 -5.797 486 2HB PRO 92 2HB PRO 92 -9.469 3.294 -4.754 487 1HG PRO 92 1HG PRO 92 -8.236 6.053 -4.474 488 2HG PRO 92 2HG PRO 92 -9.962 5.608 -4.522 489 1HD PRO 92 1HD PRO 92 -8.507 5.999 -2.185 490 2HD PRO 92 2HD PRO 92 -9.844 4.838 -2.243 491 H LEU 93 H LEU 93 -5.366 2.840 -2.692 492 HA LEU 93 HA LEU 93 -3.638 4.946 -3.567 493 1HB LEU 93 1HB LEU 93 -3.336 3.372 -1.643 494 2HB LEU 93 2HB LEU 93 -2.946 2.078 -2.763 495 HG LEU 93 HG LEU 93 -1.099 3.367 -1.507 496 1HD1 LEU 93 1HD1 LEU 93 0.535 3.122 -3.292 497 2HD1 LEU 93 2HD1 LEU 93 -0.542 1.727 -3.105 498 3HD1 LEU 93 3HD1 LEU 93 -0.777 2.910 -4.445 499 1HD2 LEU 93 1HD2 LEU 93 -0.074 5.264 -2.527 500 2HD2 LEU 93 2HD2 LEU 93 -1.246 5.241 -3.834 501 3HD2 LEU 93 3HD2 LEU 93 -1.773 5.689 -2.188 502 H THR 94 H THR 94 -4.164 1.614 -5.076 503 HA THR 94 HA THR 94 -2.290 2.598 -7.172 504 HB THR 94 HB THR 94 -2.059 0.331 -7.801 505 HG1 THR 94 1HG THR 94 -3.034 -1.267 -6.815 506 1HG2 THR 94 1HG2 THR 94 -0.896 -0.320 -5.716 507 2HG2 THR 94 2HG2 THR 94 -0.667 1.420 -6.102 508 3HG2 THR 94 3HG2 THR 94 -1.781 0.874 -4.825 509 H THR 95 H THR 95 -5.387 3.343 -6.807 510 HA THR 95 HA THR 95 -5.946 3.013 -9.724 511 HB THR 95 HB THR 95 -7.952 2.990 -7.461 512 HG1 THR 95 1HG THR 95 -8.042 0.925 -7.625 513 1HG2 THR 95 1HG2 THR 95 -8.348 2.482 -10.431 514 2HG2 THR 95 2HG2 THR 95 -9.570 2.228 -9.160 515 3HG2 THR 95 3HG2 THR 95 -8.983 3.857 -9.494 516 H MET 96 H MET 96 -5.686 5.153 -6.915 517 HA MET 96 HA MET 96 -6.485 7.462 -8.602 518 1HB MET 96 1HB MET 96 -6.859 6.869 -5.879 519 2HB MET 96 2HB MET 96 -5.556 8.058 -5.864 520 1HG MET 96 1HG MET 96 -6.883 9.717 -6.799 521 2HG MET 96 2HG MET 96 -8.006 8.567 -7.546 522 1HE MET 96 1HE MET 96 -8.028 9.458 -3.004 523 2HE MET 96 2HE MET 96 -6.861 8.372 -3.772 524 3HE MET 96 3HE MET 96 -6.818 10.122 -4.131 525 H VAL 97 H VAL 97 -3.620 5.781 -7.184 526 HA VAL 97 HA VAL 97 -1.984 7.842 -8.408 527 HB VAL 97 HB VAL 97 -0.437 7.456 -6.950 528 1HG1 VAL 97 1HG1 VAL 97 -2.553 6.597 -5.030 529 2HG1 VAL 97 2HG1 VAL 97 -1.052 7.474 -4.682 530 3HG1 VAL 97 3HG1 VAL 97 -2.354 8.228 -5.603 531 1HG2 VAL 97 1HG2 VAL 97 0.254 5.645 -5.610 532 2HG2 VAL 97 2HG2 VAL 97 -0.801 4.665 -6.680 533 3HG2 VAL 97 3HG2 VAL 97 0.534 5.668 -7.340 534 H GLN 98 H GLN 98 -0.495 7.146 -9.922 535 HA GLN 98 HA GLN 98 -1.053 4.547 -11.251 536 1HB GLN 98 1HB GLN 98 -1.386 6.534 -12.630 537 2HB GLN 98 2HB GLN 98 0.217 7.159 -12.210 538 1HG GLN 98 1HG GLN 98 1.314 5.680 -13.602 539 2HG GLN 98 2HG GLN 98 0.030 4.454 -13.509 540 1HE2 GLN 98 1HE2 GLN 98 0.138 4.227 -15.828 541 2HE2 GLN 98 2HE2 GLN 98 -0.774 5.388 -16.795 542 H ASP 99 H ASP 99 0.867 3.360 -11.885 543 HA ASP 99 HA ASP 99 2.960 2.585 -11.949 544 1HB ASP 99 1HB ASP 99 3.483 5.117 -12.198 545 2HB ASP 99 2HB ASP 99 4.107 4.992 -10.551 546 HD2 ASP 99 HD ASP 99 7.014 3.515 -11.759 547 H ALA 100 H ALA 100 1.847 3.838 -8.881 548 HA ALA 100 HA ALA 100 3.513 2.212 -7.160 549 1HB ALA 100 1HB ALA 100 0.662 3.166 -6.780 550 2HB ALA 100 2HB ALA 100 1.733 2.654 -5.489 551 3HB ALA 100 3HB ALA 100 2.098 4.157 -6.362 552 H THR 101 H THR 101 2.561 0.435 -5.877 553 HA THR 101 HA THR 101 0.446 -1.135 -6.979 554 HB THR 101 HB THR 101 2.112 -3.187 -7.193 555 HG1 THR 101 1HG THR 101 4.123 -2.780 -7.468 556 1HG2 THR 101 1HG2 THR 101 2.354 -2.953 -9.555 557 2HG2 THR 101 2HG2 THR 101 0.800 -2.235 -9.115 558 3HG2 THR 101 3HG2 THR 101 2.185 -1.193 -9.483 559 H ALA 102 H ALA 102 0.256 -3.221 -5.462 560 HA ALA 102 HA ALA 102 1.943 -3.208 -3.074 561 1HB ALA 102 1HB ALA 102 0.058 -1.763 -2.439 562 2HB ALA 102 2HB ALA 102 -1.092 -3.010 -2.976 563 3HB ALA 102 3HB ALA 102 -0.002 -3.323 -1.600 564 H HIS 103 H HIS 103 2.767 -4.972 -4.130 565 HA HIS 103 HA HIS 103 1.230 -7.377 -4.847 566 1HB HIS 103 1HB HIS 103 2.920 -7.104 -6.349 567 2HB HIS 103 2HB HIS 103 4.024 -6.360 -5.175 568 HD1 HIS 103 1HD HIS 103 6.029 -7.802 -6.063 569 HD2 HIS 103 2HD HIS 103 2.802 -9.988 -4.478 570 HE1 HIS 103 1HE HIS 103 6.896 -10.108 -5.597 571 HE2 HIS 103 2HE HIS 103 4.971 -11.477 -4.561 572 H LEU 104 H LEU 104 0.560 -8.644 -3.186 573 HA LEU 104 HA LEU 104 2.060 -8.755 -0.611 574 1HB LEU 104 1HB LEU 104 -0.039 -8.917 0.054 575 2HB LEU 104 2HB LEU 104 -0.653 -9.504 -1.474 576 HG LEU 104 HG LEU 104 0.775 -11.660 -0.478 577 1HD1 LEU 104 1HD1 LEU 104 1.287 -11.582 1.511 578 2HD1 LEU 104 2HD1 LEU 104 0.325 -10.107 1.811 579 3HD1 LEU 104 3HD1 LEU 104 -0.396 -11.745 1.884 580 1HD2 LEU 104 1HD2 LEU 104 -1.671 -12.417 0.121 581 2HD2 LEU 104 2HD2 LEU 104 -2.039 -11.008 -0.897 582 3HD2 LEU 104 3HD2 LEU 104 -1.011 -12.275 -1.520 583 H ASP 105 H ASP 105 3.944 -9.821 -0.940 584 HA ASP 105 HA ASP 105 4.030 -12.354 -2.478 585 1HB ASP 105 1HB ASP 105 6.034 -10.774 -2.236 586 2HB ASP 105 2HB ASP 105 6.091 -11.225 -0.521 587 HD2 ASP 105 HD ASP 105 6.689 -14.656 -1.807 588 H VAL 106 H VAL 106 2.398 -13.728 -1.298 589 HA VAL 106 HA VAL 106 2.428 -13.880 1.509 590 HB VAL 106 HB VAL 106 1.764 -16.210 -0.327 591 1HG1 VAL 106 1HG1 VAL 106 1.752 -16.408 2.163 592 2HG1 VAL 106 2HG1 VAL 106 0.671 -15.012 2.237 593 3HG1 VAL 106 3HG1 VAL 106 0.107 -16.545 1.499 594 1HG2 VAL 106 1HG2 VAL 106 0.567 -14.259 -1.333 595 2HG2 VAL 106 2HG2 VAL 106 -0.546 -15.350 -0.511 596 3HG2 VAL 106 3HG2 VAL 106 -0.042 -13.858 0.299 597 H GLY 107 H GLY 107 4.210 -15.717 -1.024 598 1HA GLY 107 1HA GLY 107 5.263 -17.785 0.465 599 2HA GLY 107 2HA GLY 107 6.039 -17.034 -0.950 600 H GLN 108 H GLN 108 6.581 -14.486 0.105 601 HA GLN 108 HA GLN 108 8.505 -15.124 2.264 602 1HB GLN 108 1HB GLN 108 9.350 -14.393 -0.002 603 2HB GLN 108 2HB GLN 108 8.710 -12.777 0.334 604 1HG GLN 108 1HG GLN 108 11.187 -13.159 0.765 605 2HG GLN 108 2HG GLN 108 10.279 -12.401 2.075 606 1HE2 GLN 108 1HE2 GLN 108 9.767 -13.719 3.969 607 2HE2 GLN 108 2HE2 GLN 108 10.706 -15.152 4.357 608 H GLN 109 H GLN 109 5.503 -13.937 2.237 609 HA GLN 109 HA GLN 109 4.276 -12.477 3.366 610 1HB GLN 109 1HB GLN 109 6.374 -13.125 5.453 611 2HB GLN 109 2HB GLN 109 4.851 -12.266 5.781 612 1HG GLN 109 1HG GLN 109 3.656 -14.238 4.692 613 2HG GLN 109 2HG GLN 109 5.204 -15.095 4.716 614 1HE2 GLN 109 1HE2 GLN 109 2.893 -13.381 6.934 615 2HE2 GLN 109 2HE2 GLN 109 3.069 -14.528 8.208 616 H ARG 110 H ARG 110 5.721 -11.207 1.586 617 HA ARG 110 HA ARG 110 6.699 -8.721 2.926 618 1HB ARG 110 1HB ARG 110 8.582 -10.133 2.187 619 2HB ARG 110 2HB ARG 110 7.952 -10.071 0.539 620 1HG ARG 110 1HG ARG 110 8.134 -7.372 1.414 621 2HG ARG 110 2HG ARG 110 9.600 -8.162 2.030 622 1HD ARG 110 1HD ARG 110 9.453 -9.041 -0.615 623 2HD ARG 110 2HD ARG 110 8.831 -7.384 -0.717 624 HE ARG 110 HE ARG 110 11.399 -7.911 0.686 625 1HH1 ARG 110 2HH2 ARG 110 10.015 -6.768 -2.438 626 2HH1 ARG 110 1HH2 ARG 110 11.398 -5.778 -2.743 627 1HH2 ARG 110 2HH1 ARG 110 13.149 -6.820 0.100 628 2HH2 ARG 110 1HH1 ARG 110 13.325 -5.962 -1.408 629 H LEU 111 H LEU 111 5.220 -7.287 2.575 630 HA LEU 111 HA LEU 111 3.538 -7.412 0.193 631 1HB LEU 111 1HB LEU 111 2.507 -7.129 2.342 632 2HB LEU 111 2HB LEU 111 3.461 -5.689 2.683 633 HG LEU 111 HG LEU 111 2.315 -4.499 0.910 634 1HD1 LEU 111 1HD1 LEU 111 1.847 -6.274 -0.692 635 2HD1 LEU 111 2HD1 LEU 111 0.687 -6.995 0.451 636 3HD1 LEU 111 3HD1 LEU 111 0.376 -5.425 -0.305 637 1HD2 LEU 111 1HD2 LEU 111 0.075 -4.363 1.878 638 2HD2 LEU 111 2HD2 LEU 111 0.330 -5.915 2.710 639 3HD2 LEU 111 3HD2 LEU 111 1.297 -4.491 3.136 640 H ASN 112 H ASN 112 5.067 -7.138 -1.225 641 HA ASN 112 HA ASN 112 7.097 -5.172 -1.618 642 1HB ASN 112 1HB ASN 112 5.459 -6.977 -3.413 643 2HB ASN 112 2HB ASN 112 6.578 -5.784 -4.100 644 1HD2 ASN 112 1HD2 ASN 112 6.369 -8.807 -2.187 645 2HD2 ASN 112 2HD2 ASN 112 7.997 -9.280 -2.592 646 H LEU 113 H LEU 113 6.747 -3.062 -1.863 647 HA LEU 113 HA LEU 113 4.246 -2.127 -3.148 648 1HB LEU 113 1HB LEU 113 5.174 -1.938 -0.410 649 2HB LEU 113 2HB LEU 113 5.222 -0.322 -1.147 650 HG LEU 113 HG LEU 113 2.772 -1.195 -1.964 651 1HD1 LEU 113 1HD1 LEU 113 3.155 -2.412 0.740 652 2HD1 LEU 113 2HD1 LEU 113 1.591 -2.174 -0.098 653 3HD1 LEU 113 3HD1 LEU 113 2.830 -3.235 -0.786 654 1HD2 LEU 113 1HD2 LEU 113 3.497 0.293 0.530 655 2HD2 LEU 113 2HD2 LEU 113 3.313 0.921 -1.131 656 3HD2 LEU 113 3HD2 LEU 113 1.892 0.267 -0.294 657 H THR 114 H THR 114 4.397 -0.159 -4.244 658 HA THR 114 HA THR 114 7.042 1.132 -4.392 659 HB THR 114 HB THR 114 5.296 0.311 -6.776 660 HG1 THR 114 1HG THR 114 6.775 -1.104 -7.292 661 1HG2 THR 114 1HG2 THR 114 7.944 1.794 -6.674 662 2HG2 THR 114 2HG2 THR 114 7.192 1.177 -8.166 663 3HG2 THR 114 3HG2 THR 114 6.383 2.432 -7.237 664 H ILE 115 H ILE 115 6.858 3.354 -4.866 665 HA ILE 115 HA ILE 115 4.288 4.392 -5.681 666 HB ILE 115 HB ILE 115 5.662 5.250 -3.111 667 1HG1 ILE 115 1HG1 ILE 115 2.775 4.709 -3.946 668 2HG1 ILE 115 2HG1 ILE 115 3.767 3.688 -2.886 669 1HG2 ILE 115 1HG2 ILE 115 3.737 7.000 -4.659 670 2HG2 ILE 115 2HG2 ILE 115 4.455 7.348 -3.069 671 3HG2 ILE 115 3HG2 ILE 115 5.481 7.279 -4.459 672 1HD1 ILE 115 1HD1 ILE 115 2.685 6.430 -2.231 673 2HD1 ILE 115 2HD1 ILE 115 2.176 4.917 -1.541 674 3HD1 ILE 115 3HD1 ILE 115 3.813 5.518 -1.201 675 HA PRO 116 HA PRO 116 7.292 6.431 -8.360 676 1HB PRO 116 1HB PRO 116 5.658 8.388 -9.371 677 2HB PRO 116 2HB PRO 116 5.577 6.702 -9.916 678 1HG PRO 116 1HG PRO 116 3.871 8.090 -7.842 679 2HG PRO 116 2HG PRO 116 3.337 7.071 -9.214 680 1HD PRO 116 1HD PRO 116 3.596 6.085 -6.687 681 2HD PRO 116 2HD PRO 116 4.061 5.091 -8.084 682 H GLN 117 H GLN 117 8.616 8.186 -8.049 683 HA GLN 117 HA GLN 117 8.773 9.461 -5.533 684 1HB GLN 117 1HB GLN 117 9.982 10.165 -8.200 685 2HB GLN 117 2HB GLN 117 10.261 11.188 -6.766 686 1HG GLN 117 1HG GLN 117 10.924 8.231 -6.973 687 2HG GLN 117 2HG GLN 117 12.071 9.594 -7.099 688 1HE2 GLN 117 1HE2 GLN 117 11.292 7.212 -4.997 689 2HE2 GLN 117 2HE2 GLN 117 11.437 8.113 -3.484 690 H ALA 118 H ALA 118 7.101 10.616 -8.418 691 HA ALA 118 HA ALA 118 6.414 13.214 -7.733 692 1HB ALA 118 1HB ALA 118 4.775 10.987 -8.991 693 2HB ALA 118 2HB ALA 118 4.301 12.701 -9.023 694 3HB ALA 118 3HB ALA 118 5.785 12.178 -9.837 695 H PHE 119 H PHE 119 4.877 10.168 -6.459 696 HA PHE 119 HA PHE 119 3.084 11.842 -4.795 697 1HB PHE 119 1HB PHE 119 3.098 8.904 -5.490 698 2HB PHE 119 2HB PHE 119 2.002 9.619 -4.303 699 HD1 PHE 119 1HD PHE 119 2.924 10.126 -7.890 700 HD2 PHE 119 2HD PHE 119 -0.181 9.899 -4.977 701 HE1 PHE 119 1HE PHE 119 1.218 10.101 -9.706 702 HE2 PHE 119 2HE PHE 119 -1.879 9.906 -6.838 703 HZ PHE 119 HZ PHE 119 -1.163 9.975 -9.175 704 H MET 120 H MET 120 5.972 11.801 -4.167 705 HA MET 120 HA MET 120 5.767 10.527 -1.481 706 1HB MET 120 1HB MET 120 8.236 10.771 -3.222 707 2HB MET 120 2HB MET 120 8.191 10.182 -1.540 708 1HG MET 120 1HG MET 120 6.220 8.764 -3.030 709 2HG MET 120 2HG MET 120 7.678 8.729 -3.992 710 1HE MET 120 1HE MET 120 7.031 8.689 -0.039 711 2HE MET 120 2HE MET 120 5.769 7.712 -0.828 712 3HE MET 120 3HE MET 120 6.967 6.940 0.230 713 H SER 121 H SER 121 6.411 11.791 0.251 714 HA SER 121 HA SER 121 5.952 14.554 -0.178 715 1HB SER 121 1HB SER 121 6.414 14.722 2.264 716 2HB SER 121 2HB SER 121 5.233 13.466 1.820 717 HG SER 121 HG SER 121 7.038 13.020 3.404 718 H ASN 122 H ASN 122 8.848 12.754 0.621 719 HA ASN 122 HA ASN 122 10.763 14.090 -0.798 720 1HB ASN 122 1HB ASN 122 10.059 15.813 1.327 721 2HB ASN 122 2HB ASN 122 11.559 15.053 1.877 722 1HD2 ASN 122 1HD2 ASN 122 13.562 15.494 0.744 723 2HD2 ASN 122 2HD2 ASN 122 13.583 16.733 -0.510 724 H ARG 123 H ARG 123 9.850 12.339 2.100 725 HA ARG 123 HA ARG 123 12.352 10.774 2.069 726 1HB ARG 123 1HB ARG 123 12.459 10.823 4.498 727 2HB ARG 123 2HB ARG 123 12.681 12.439 3.775 728 1HG ARG 123 1HG ARG 123 11.280 13.151 5.363 729 2HG ARG 123 2HG ARG 123 9.992 12.473 4.371 730 1HD ARG 123 1HD ARG 123 10.611 10.242 5.634 731 2HD ARG 123 2HD ARG 123 11.353 11.313 6.813 732 HE ARG 123 HE ARG 123 8.683 10.575 6.577 733 1HH1 ARG 123 2HH2 ARG 123 10.551 13.540 7.390 734 2HH1 ARG 123 1HH2 ARG 123 9.281 14.136 8.411 735 1HH2 ARG 123 2HH1 ARG 123 7.203 11.364 8.213 736 2HH2 ARG 123 1HH1 ARG 123 7.413 12.996 8.795 737 H ALA 124 H ALA 124 11.817 8.646 1.939 738 HA ALA 124 HA ALA 124 9.276 7.743 3.213 739 1HB ALA 124 1HB ALA 124 10.883 6.516 0.931 740 2HB ALA 124 2HB ALA 124 9.470 5.789 1.722 741 3HB ALA 124 3HB ALA 124 9.288 7.299 0.813 742 H ARG 125 H ARG 125 9.976 7.393 5.314 743 HA ARG 125 HA ARG 125 12.703 6.287 5.644 744 1HB ARG 125 1HB ARG 125 10.919 7.864 7.514 745 2HB ARG 125 2HB ARG 125 12.456 7.131 8.012 746 1HG ARG 125 1HG ARG 125 12.185 9.045 5.695 747 2HG ARG 125 2HG ARG 125 12.549 9.583 7.335 748 1HD ARG 125 1HD ARG 125 14.325 7.470 6.198 749 2HD ARG 125 2HD ARG 125 14.360 9.085 5.429 750 HE ARG 125 HE ARG 125 14.551 9.018 8.375 751 1HH1 ARG 125 2HH2 ARG 125 16.404 9.026 5.372 752 2HH1 ARG 125 1HH2 ARG 125 17.679 10.036 5.967 753 1HH2 ARG 125 2HH1 ARG 125 16.273 10.117 9.259 754 2HH2 ARG 125 1HH1 ARG 125 17.731 10.449 8.365 Start of MODEL 2 1 1H GLY 25 H GLY 25 -9.754 -10.541 -13.444 2 1HA GLY 25 1HA GLY 25 -7.632 -11.786 -13.545 3 2HA GLY 25 2HA GLY 25 -6.814 -10.262 -13.124 4 H GLN 26 H GLN 26 -7.726 -13.110 -11.776 5 HA GLN 26 HA GLN 26 -7.971 -12.167 -9.057 6 1HB GLN 26 1HB GLN 26 -10.204 -11.685 -9.819 7 2HB GLN 26 2HB GLN 26 -10.333 -13.255 -10.642 8 1HG GLN 26 1HG GLN 26 -11.722 -13.161 -8.672 9 2HG GLN 26 2HG GLN 26 -10.500 -14.408 -8.522 10 1HE2 GLN 26 1HE2 GLN 26 -8.642 -13.894 -7.127 11 2HE2 GLN 26 2HE2 GLN 26 -8.783 -12.802 -5.772 12 H GLU 27 H GLU 27 -6.577 -13.658 -8.094 13 HA GLU 27 HA GLU 27 -7.135 -16.497 -8.583 14 1HB GLU 27 1HB GLU 27 -4.696 -16.992 -8.867 15 2HB GLU 27 2HB GLU 27 -5.306 -15.959 -10.175 16 1HG GLU 27 1HG GLU 27 -4.277 -14.031 -9.307 17 2HG GLU 27 2HG GLU 27 -4.075 -14.745 -7.692 18 HE2 GLU 27 HE GLU 27 -1.352 -15.853 -10.399 19 H LEU 28 H LEU 28 -7.257 -14.446 -6.377 20 HA LEU 28 HA LEU 28 -6.534 -16.234 -4.182 21 1HB LEU 28 1HB LEU 28 -4.442 -14.968 -4.903 22 2HB LEU 28 2HB LEU 28 -5.249 -13.475 -4.383 23 HG LEU 28 HG LEU 28 -5.303 -14.327 -2.056 24 1HD1 LEU 28 1HD1 LEU 28 -3.907 -16.379 -1.534 25 2HD1 LEU 28 2HD1 LEU 28 -5.395 -16.754 -2.401 26 3HD1 LEU 28 3HD1 LEU 28 -3.852 -16.721 -3.288 27 1HD2 LEU 28 1HD2 LEU 28 -3.207 -13.178 -3.193 28 2HD2 LEU 28 2HD2 LEU 28 -3.011 -13.960 -1.604 29 3HD2 LEU 28 3HD2 LEU 28 -2.474 -14.763 -3.102 30 HA PRO 29 HA PRO 29 -10.275 -13.919 -3.253 31 1HB PRO 29 1HB PRO 29 -11.245 -15.415 -1.160 32 2HB PRO 29 2HB PRO 29 -11.257 -15.944 -2.865 33 1HG PRO 29 1HG PRO 29 -9.254 -16.638 -0.706 34 2HG PRO 29 2HG PRO 29 -10.027 -17.755 -1.889 35 1HD PRO 29 1HD PRO 29 -7.536 -16.761 -2.270 36 2HD PRO 29 2HD PRO 29 -8.655 -17.063 -3.627 37 HA PRO 30 HA PRO 30 -9.019 -11.056 -0.305 38 1HB PRO 30 1HB PRO 30 -11.320 -9.835 0.558 39 2HB PRO 30 2HB PRO 30 -10.503 -9.603 -1.019 40 1HG PRO 30 1HG PRO 30 -12.859 -11.351 -0.376 41 2HG PRO 30 2HG PRO 30 -12.575 -10.323 -1.825 42 1HD PRO 30 1HD PRO 30 -12.158 -13.046 -1.771 43 2HD PRO 30 2HD PRO 30 -11.216 -11.944 -2.805 44 H GLY 31 H GLY 31 -9.360 -10.072 2.072 45 1HA GLY 31 1HA GLY 31 -10.049 -11.644 4.263 46 2HA GLY 31 2HA GLY 31 -8.612 -12.424 3.600 47 H THR 32 H THR 32 -7.233 -11.991 5.337 48 HA THR 32 HA THR 32 -6.000 -9.402 5.112 49 HB THR 32 HB THR 32 -7.552 -9.050 7.009 50 HG1 THR 32 1HG THR 32 -6.087 -8.067 8.198 51 1HG2 THR 32 1HG2 THR 32 -7.088 -10.066 9.187 52 2HG2 THR 32 2HG2 THR 32 -7.653 -11.282 8.027 53 3HG2 THR 32 3HG2 THR 32 -5.929 -11.179 8.464 54 H TYR 33 H TYR 33 -3.739 -9.612 5.313 55 HA TYR 33 HA TYR 33 -2.731 -12.283 6.107 56 1HB TYR 33 1HB TYR 33 -1.008 -11.981 4.257 57 2HB TYR 33 2HB TYR 33 -2.624 -12.576 3.845 58 HD1 TYR 33 1HD TYR 33 -0.855 -9.213 4.012 59 HD2 TYR 33 2HD TYR 33 -3.275 -11.899 1.709 60 HE1 TYR 33 1HE TYR 33 -1.014 -7.563 2.207 61 HE2 TYR 33 2HE TYR 33 -3.566 -10.160 -0.011 62 HH TYR 33 HH TYR 33 -3.102 -7.900 -0.618 63 H ARG 34 H ARG 34 -0.661 -12.216 7.117 64 HA ARG 34 HA ARG 34 -0.013 -9.498 8.182 65 1HB ARG 34 1HB ARG 34 -0.703 -11.246 9.799 66 2HB ARG 34 2HB ARG 34 0.685 -12.229 9.327 67 1HG ARG 34 1HG ARG 34 0.816 -9.457 10.582 68 2HG ARG 34 2HG ARG 34 1.019 -11.022 11.426 69 1HD ARG 34 1HD ARG 34 2.950 -11.336 9.627 70 2HD ARG 34 2HD ARG 34 2.924 -9.564 9.596 71 HE ARG 34 HE ARG 34 3.013 -9.962 12.219 72 1HH1 ARG 34 2HH2 ARG 34 5.102 -11.401 9.711 73 2HH1 ARG 34 1HH2 ARG 34 6.046 -12.333 10.813 74 1HH2 ARG 34 2HH1 ARG 34 4.599 -10.820 13.699 75 2HH2 ARG 34 1HH1 ARG 34 5.782 -11.918 13.072 76 H VAL 35 H VAL 35 1.743 -8.507 7.374 77 HA VAL 35 HA VAL 35 4.112 -9.937 6.462 78 HB VAL 35 HB VAL 35 3.801 -8.970 4.132 79 1HG1 VAL 35 1HG1 VAL 35 1.568 -10.923 4.455 80 2HG1 VAL 35 2HG1 VAL 35 2.877 -10.780 3.245 81 3HG1 VAL 35 3HG1 VAL 35 3.222 -11.406 4.846 82 1HG2 VAL 35 1HG2 VAL 35 0.928 -8.518 5.100 83 2HG2 VAL 35 2HG2 VAL 35 2.057 -7.313 4.490 84 3HG2 VAL 35 3HG2 VAL 35 1.394 -8.580 3.419 85 H ASP 36 H ASP 36 5.537 -8.263 5.293 86 HA ASP 36 HA ASP 36 5.493 -5.762 6.881 87 1HB ASP 36 1HB ASP 36 7.892 -6.465 5.325 88 2HB ASP 36 2HB ASP 36 7.680 -5.689 6.928 89 HD2 ASP 36 HD ASP 36 9.025 -9.197 7.054 90 H ILE 37 H ILE 37 5.130 -3.919 5.851 91 HA ILE 37 HA ILE 37 4.454 -3.859 2.994 92 HB ILE 37 HB ILE 37 4.233 -1.854 5.282 93 1HG1 ILE 37 1HG1 ILE 37 1.687 -2.654 4.184 94 2HG1 ILE 37 2HG1 ILE 37 2.585 -4.122 4.612 95 1HG2 ILE 37 1HG2 ILE 37 4.305 -0.460 3.453 96 2HG2 ILE 37 2HG2 ILE 37 3.351 -1.524 2.378 97 3HG2 ILE 37 3HG2 ILE 37 2.591 -0.644 3.733 98 1HD1 ILE 37 1HD1 ILE 37 2.001 -1.797 6.478 99 2HD1 ILE 37 2HD1 ILE 37 1.219 -3.385 6.488 100 3HD1 ILE 37 3HD1 ILE 37 2.938 -3.255 6.902 101 H TYR 38 H TYR 38 6.068 -3.559 1.532 102 HA TYR 38 HA TYR 38 8.587 -2.267 2.514 103 1HB TYR 38 1HB TYR 38 8.081 -4.689 0.875 104 2HB TYR 38 2HB TYR 38 9.362 -3.602 0.283 105 HD1 TYR 38 1HD TYR 38 11.507 -3.709 1.068 106 HD2 TYR 38 2HD TYR 38 8.354 -5.619 3.274 107 HE1 TYR 38 1HE TYR 38 13.192 -4.663 2.577 108 HE2 TYR 38 2HE TYR 38 10.058 -6.597 4.834 109 HH TYR 38 HH TYR 38 12.303 -6.777 5.329 110 H LEU 39 H LEU 39 8.401 -0.142 1.758 111 HA LEU 39 HA LEU 39 7.181 0.319 -0.927 112 1HB LEU 39 1HB LEU 39 6.750 1.908 1.081 113 2HB LEU 39 2HB LEU 39 8.441 2.408 0.879 114 HG LEU 39 HG LEU 39 7.810 2.862 -1.604 115 1HD1 LEU 39 1HD1 LEU 39 5.028 2.633 -0.366 116 2HD1 LEU 39 2HD1 LEU 39 5.380 3.379 -1.920 117 3HD1 LEU 39 3HD1 LEU 39 5.661 1.660 -1.722 118 1HD2 LEU 39 1HD2 LEU 39 6.858 5.042 -0.993 119 2HD2 LEU 39 2HD2 LEU 39 6.527 4.430 0.648 120 3HD2 LEU 39 3HD2 LEU 39 8.199 4.578 0.088 121 H ASN 40 H ASN 40 8.604 0.459 -2.662 122 HA ASN 40 HA ASN 40 10.551 0.807 -3.841 123 1HB ASN 40 1HB ASN 40 10.642 3.060 -1.826 124 2HB ASN 40 2HB ASN 40 11.887 2.867 -3.102 125 1HD2 ASN 40 1HD2 ASN 40 9.080 4.570 -2.459 126 2HD2 ASN 40 2HD2 ASN 40 8.557 4.838 -4.099 127 H ASN 41 H ASN 41 10.715 -1.308 -2.376 128 HA ASN 41 HA ASN 41 12.088 -2.934 -1.701 129 1HB ASN 41 1HB ASN 41 14.523 -1.235 -2.162 130 2HB ASN 41 2HB ASN 41 14.315 -2.988 -2.359 131 1HD2 ASN 41 1HD2 ASN 41 14.468 -0.025 -4.005 132 2HD2 ASN 41 2HD2 ASN 41 13.674 -0.507 -5.493 133 H GLY 42 H GLY 42 11.291 -0.697 0.393 134 1HA GLY 42 1HA GLY 42 13.191 -1.582 2.498 135 2HA GLY 42 2HA GLY 42 12.907 0.147 2.197 136 H TYR 43 H TYR 43 12.334 -1.602 4.571 137 HA TYR 43 HA TYR 43 9.515 -2.155 4.654 138 1HB TYR 43 1HB TYR 43 10.727 -3.538 6.083 139 2HB TYR 43 2HB TYR 43 11.926 -2.285 6.468 140 HD1 TYR 43 1HD TYR 43 11.455 -0.566 8.190 141 HD2 TYR 43 2HD TYR 43 8.863 -3.961 7.632 142 HE1 TYR 43 1HE TYR 43 10.430 -0.129 10.376 143 HE2 TYR 43 2HE TYR 43 7.873 -3.569 9.804 144 HH TYR 43 HH TYR 43 8.590 -0.639 11.706 145 H MET 44 H MET 44 7.853 -1.081 5.515 146 HA MET 44 HA MET 44 8.260 1.650 6.656 147 1HB MET 44 1HB MET 44 5.933 0.639 5.005 148 2HB MET 44 2HB MET 44 6.168 2.313 5.511 149 1HG MET 44 1HG MET 44 8.130 0.931 3.679 150 2HG MET 44 2HG MET 44 6.585 1.667 3.130 151 1HE MET 44 1HE MET 44 10.398 3.964 4.274 152 2HE MET 44 2HE MET 44 9.675 2.929 5.513 153 3HE MET 44 3HE MET 44 10.284 2.214 3.992 154 H ALA 45 H ALA 45 6.659 -1.520 7.070 155 HA ALA 45 HA ALA 45 6.027 -1.160 9.767 156 1HB ALA 45 1HB ALA 45 3.650 -0.877 7.867 157 2HB ALA 45 2HB ALA 45 3.511 -1.249 9.593 158 3HB ALA 45 3HB ALA 45 4.159 0.307 9.085 159 H THR 46 H THR 46 4.946 -3.139 10.587 160 HA THR 46 HA THR 46 4.545 -5.356 8.667 161 HB THR 46 HB THR 46 6.057 -5.460 11.303 162 HG1 THR 46 1HG THR 46 7.048 -6.609 8.988 163 1HG2 THR 46 1HG2 THR 46 5.123 -7.760 9.543 164 2HG2 THR 46 2HG2 THR 46 6.360 -7.900 10.821 165 3HG2 THR 46 3HG2 THR 46 4.699 -7.462 11.243 166 H ARG 47 H ARG 47 2.471 -6.037 8.877 167 HA ARG 47 HA ARG 47 1.266 -6.556 11.378 168 1HB ARG 47 1HB ARG 47 -0.717 -4.876 10.710 169 2HB ARG 47 2HB ARG 47 0.527 -4.524 11.927 170 1HG ARG 47 1HG ARG 47 1.465 -2.864 10.679 171 2HG ARG 47 2HG ARG 47 1.069 -3.597 9.114 172 1HD ARG 47 1HD ARG 47 -0.170 -1.462 9.713 173 2HD ARG 47 2HD ARG 47 -1.159 -2.844 9.179 174 HE ARG 47 HE ARG 47 -1.461 -3.243 11.712 175 1HH1 ARG 47 2HH2 ARG 47 -1.200 0.115 10.397 176 2HH1 ARG 47 1HH2 ARG 47 -2.412 0.670 11.506 177 1HH2 ARG 47 2HH1 ARG 47 -3.026 -2.478 12.954 178 2HH2 ARG 47 1HH1 ARG 47 -3.470 -0.785 12.988 179 H ASP 48 H ASP 48 -1.189 -6.803 10.940 180 HA ASP 48 HA ASP 48 -1.765 -8.517 8.683 181 1HB ASP 48 1HB ASP 48 -4.013 -8.465 9.606 182 2HB ASP 48 2HB ASP 48 -2.818 -8.841 10.869 183 HD2 ASP 48 HD ASP 48 -3.376 -5.719 12.445 184 H VAL 49 H VAL 49 -2.761 -7.834 6.860 185 HA VAL 49 HA VAL 49 -3.504 -4.993 6.528 186 HB VAL 49 HB VAL 49 -2.090 -6.472 4.311 187 1HG1 VAL 49 1HG1 VAL 49 -1.543 -4.152 3.663 188 2HG1 VAL 49 2HG1 VAL 49 -3.302 -4.308 3.957 189 3HG1 VAL 49 3HG1 VAL 49 -2.252 -3.535 5.166 190 1HG2 VAL 49 1HG2 VAL 49 -0.658 -4.954 6.534 191 2HG2 VAL 49 2HG2 VAL 49 -0.424 -6.659 6.081 192 3HG2 VAL 49 3HG2 VAL 49 0.056 -5.383 4.964 193 H THR 50 H THR 50 -5.674 -5.280 6.575 194 HA THR 50 HA THR 50 -6.988 -7.565 5.475 195 HB THR 50 HB THR 50 -8.070 -4.855 6.305 196 HG1 THR 50 1HG THR 50 -8.552 -6.960 7.959 197 1HG2 THR 50 1HG2 THR 50 -9.500 -7.519 5.904 198 2HG2 THR 50 2HG2 THR 50 -10.232 -6.014 6.513 199 3HG2 THR 50 3HG2 THR 50 -9.640 -6.115 4.845 200 H PHE 51 H PHE 51 -6.494 -7.933 3.209 201 HA PHE 51 HA PHE 51 -6.914 -5.811 1.378 202 1HB PHE 51 1HB PHE 51 -6.357 -7.656 -0.172 203 2HB PHE 51 2HB PHE 51 -5.141 -7.413 1.085 204 HD1 PHE 51 1HD PHE 51 -7.293 -9.699 -0.544 205 HD2 PHE 51 2HD PHE 51 -5.065 -9.114 3.060 206 HE1 PHE 51 1HE PHE 51 -7.098 -12.146 -0.237 207 HE2 PHE 51 2HE PHE 51 -5.099 -11.592 3.454 208 HZ PHE 51 HZ PHE 51 -6.092 -13.099 1.834 209 H ASN 52 H ASN 52 -8.227 -5.899 -0.304 210 HA ASN 52 HA ASN 52 -10.945 -7.048 -0.013 211 1HB ASN 52 1HB ASN 52 -11.187 -4.706 -1.508 212 2HB ASN 52 2HB ASN 52 -11.716 -4.924 0.169 213 1HD2 ASN 52 1HD2 ASN 52 -9.969 -4.532 1.833 214 2HD2 ASN 52 2HD2 ASN 52 -8.975 -3.092 1.608 215 H THR 53 H THR 53 -11.975 -7.072 -2.276 216 HA THR 53 HA THR 53 -10.110 -8.014 -4.288 217 HB THR 53 HB THR 53 -12.766 -7.112 -5.218 218 HG1 THR 53 1HG THR 53 -13.545 -7.698 -3.273 219 1HG2 THR 53 1HG2 THR 53 -11.456 -9.855 -5.037 220 2HG2 THR 53 2HG2 THR 53 -12.848 -9.396 -6.062 221 3HG2 THR 53 3HG2 THR 53 -11.249 -8.725 -6.405 222 H GLY 54 H GLY 54 -9.616 -6.828 -6.294 223 1HA GLY 54 1HA GLY 54 -10.215 -3.966 -6.442 224 2HA GLY 54 2HA GLY 54 -8.550 -4.329 -5.973 225 H ASP 55 H ASP 55 -8.854 -6.855 -7.802 226 HA ASP 55 HA ASP 55 -8.396 -7.503 -9.858 227 1HB ASP 55 1HB ASP 55 -10.166 -5.408 -10.416 228 2HB ASP 55 2HB ASP 55 -8.751 -5.141 -11.467 229 HD2 ASP 55 HD ASP 55 -9.408 -8.134 -13.233 230 H SER 56 H SER 56 -6.288 -7.806 -9.493 231 HA SER 56 HA SER 56 -4.432 -5.953 -10.666 232 1HB SER 56 1HB SER 56 -3.897 -6.939 -7.820 233 2HB SER 56 2HB SER 56 -2.954 -5.746 -8.737 234 HG SER 56 HG SER 56 -4.505 -4.245 -8.432 235 H GLU 57 H GLU 57 -2.103 -7.595 -9.553 236 HA GLU 57 HA GLU 57 -2.077 -9.907 -11.155 237 1HB GLU 57 1HB GLU 57 -0.650 -9.269 -8.539 238 2HB GLU 57 2HB GLU 57 -0.335 -10.737 -9.503 239 1HG GLU 57 1HG GLU 57 -0.022 -7.913 -10.582 240 2HG GLU 57 2HG GLU 57 1.308 -8.878 -9.897 241 HE2 GLU 57 HE GLU 57 1.231 -11.104 -12.692 242 H GLN 58 H GLN 58 -2.555 -9.920 -7.538 243 HA GLN 58 HA GLN 58 -3.579 -12.607 -7.849 244 1HB GLN 58 1HB GLN 58 -3.628 -11.182 -5.245 245 2HB GLN 58 2HB GLN 58 -3.364 -12.905 -5.642 246 1HG GLN 58 1HG GLN 58 -1.199 -12.411 -5.232 247 2HG GLN 58 2HG GLN 58 -1.182 -11.803 -6.879 248 1HE2 GLN 58 1HE2 GLN 58 -0.830 -11.039 -3.546 249 2HE2 GLN 58 2HE2 GLN 58 -1.043 -9.283 -3.657 250 H GLY 59 H GLY 59 -5.084 -9.734 -8.196 251 1HA GLY 59 1HA GLY 59 -7.345 -9.394 -8.746 252 2HA GLY 59 2HA GLY 59 -7.822 -10.768 -7.732 253 H ILE 60 H ILE 60 -5.781 -9.222 -5.783 254 HA ILE 60 HA ILE 60 -7.968 -7.803 -4.381 255 HB ILE 60 HB ILE 60 -6.697 -8.834 -2.308 256 1HG1 ILE 60 1HG1 ILE 60 -5.989 -10.982 -4.345 257 2HG1 ILE 60 2HG1 ILE 60 -4.822 -9.721 -3.876 258 1HG2 ILE 60 1HG2 ILE 60 -9.001 -9.466 -2.910 259 2HG2 ILE 60 2HG2 ILE 60 -8.416 -10.554 -4.189 260 3HG2 ILE 60 3HG2 ILE 60 -8.102 -10.932 -2.496 261 1HD1 ILE 60 1HD1 ILE 60 -5.999 -11.880 -2.138 262 2HD1 ILE 60 2HD1 ILE 60 -4.299 -11.545 -2.539 263 3HD1 ILE 60 3HD1 ILE 60 -5.147 -10.432 -1.496 264 H VAL 61 H VAL 61 -7.280 -6.120 -2.974 265 HA VAL 61 HA VAL 61 -4.458 -5.372 -3.158 266 HB VAL 61 HB VAL 61 -5.028 -3.005 -3.444 267 1HG1 VAL 61 1HG1 VAL 61 -5.645 -3.030 -5.807 268 2HG1 VAL 61 2HG1 VAL 61 -4.593 -4.407 -5.461 269 3HG1 VAL 61 3HG1 VAL 61 -6.332 -4.647 -5.676 270 1HG2 VAL 61 1HG2 VAL 61 -7.259 -2.898 -2.450 271 2HG2 VAL 61 2HG2 VAL 61 -7.296 -2.282 -4.108 272 3HG2 VAL 61 3HG2 VAL 61 -7.925 -3.908 -3.753 273 HA PRO 62 HA PRO 62 -5.025 -5.127 1.210 274 1HB PRO 62 1HB PRO 62 -3.059 -3.340 1.923 275 2HB PRO 62 2HB PRO 62 -2.805 -5.069 1.555 276 1HG PRO 62 1HG PRO 62 -2.316 -2.682 -0.182 277 2HG PRO 62 2HG PRO 62 -1.394 -4.223 -0.077 278 1HD PRO 62 1HD PRO 62 -3.205 -3.610 -2.079 279 2HD PRO 62 2HD PRO 62 -2.802 -5.269 -1.573 280 H CYS 63 H CYS 63 -5.939 -3.749 2.839 281 HA CYS 63 HA CYS 63 -7.025 -1.134 2.083 282 1HB CYS 63 1HB CYS 63 -8.203 -2.452 3.775 283 2HB CYS 63 2HB CYS 63 -6.720 -2.578 4.755 284 HG CYS 63 HG CYS 63 -8.416 -0.989 5.937 285 H LEU 64 H LEU 64 -5.837 0.668 2.132 286 HA LEU 64 HA LEU 64 -3.492 0.942 3.877 287 1HB LEU 64 1HB LEU 64 -3.320 2.306 1.268 288 2HB LEU 64 2HB LEU 64 -2.054 1.568 2.258 289 HG LEU 64 HG LEU 64 -3.143 -0.689 1.267 290 1HD1 LEU 64 1HD1 LEU 64 -4.960 0.498 0.032 291 2HD1 LEU 64 2HD1 LEU 64 -3.758 1.438 -0.856 292 3HD1 LEU 64 3HD1 LEU 64 -3.877 -0.329 -1.083 293 1HD2 LEU 64 1HD2 LEU 64 -1.239 1.117 -0.249 294 2HD2 LEU 64 2HD2 LEU 64 -0.830 -0.150 0.930 295 3HD2 LEU 64 3HD2 LEU 64 -1.531 -0.594 -0.642 296 H THR 65 H THR 65 -3.818 2.907 4.992 297 HA THR 65 HA THR 65 -6.265 4.397 4.238 298 HB THR 65 HB THR 65 -6.506 4.783 6.614 299 HG1 THR 65 1HG THR 65 -4.895 3.816 8.019 300 1HG2 THR 65 1HG2 THR 65 -6.684 2.444 7.487 301 2HG2 THR 65 2HG2 THR 65 -7.272 2.518 5.831 302 3HG2 THR 65 3HG2 THR 65 -5.680 1.834 6.182 303 H ARG 66 H ARG 66 -6.186 6.824 5.132 304 HA ARG 66 HA ARG 66 -4.029 8.107 3.815 305 1HB ARG 66 1HB ARG 66 -6.164 9.248 4.471 306 2HB ARG 66 2HB ARG 66 -5.585 9.299 6.141 307 1HG ARG 66 1HG ARG 66 -4.038 10.937 5.708 308 2HG ARG 66 2HG ARG 66 -3.711 10.340 4.057 309 1HD ARG 66 1HD ARG 66 -5.007 11.858 3.150 310 2HD ARG 66 2HD ARG 66 -6.386 11.366 4.141 311 HE ARG 66 HE ARG 66 -4.590 13.643 4.519 312 1HH1 ARG 66 2HH2 ARG 66 -6.436 11.589 6.812 313 2HH1 ARG 66 1HH2 ARG 66 -7.355 12.903 7.389 314 1HH2 ARG 66 2HH1 ARG 66 -5.652 15.405 5.608 315 2HH2 ARG 66 1HH1 ARG 66 -6.862 15.045 6.790 316 H ALA 67 H ALA 67 -4.385 7.210 7.266 317 HA ALA 67 HA ALA 67 -1.980 8.385 8.081 318 1HB ALA 67 1HB ALA 67 -1.970 6.729 9.939 319 2HB ALA 67 2HB ALA 67 -3.544 7.552 9.765 320 3HB ALA 67 3HB ALA 67 -3.341 5.880 9.179 321 H GLN 68 H GLN 68 -2.578 4.940 7.070 322 HA GLN 68 HA GLN 68 0.031 3.997 7.529 323 1HB GLN 68 1HB GLN 68 -2.054 3.158 5.485 324 2HB GLN 68 2HB GLN 68 -0.624 2.202 5.887 325 1HG GLN 68 1HG GLN 68 -2.364 2.939 8.180 326 2HG GLN 68 2HG GLN 68 -3.069 1.849 6.954 327 1HE2 GLN 68 1HE2 GLN 68 -2.560 -0.315 7.036 328 2HE2 GLN 68 2HE2 GLN 68 -1.333 -0.992 8.070 329 H LEU 69 H LEU 69 -1.389 5.587 4.669 330 HA LEU 69 HA LEU 69 0.926 5.232 2.978 331 1HB LEU 69 1HB LEU 69 -1.447 7.107 2.784 332 2HB LEU 69 2HB LEU 69 -0.238 6.852 1.507 333 HG LEU 69 HG LEU 69 -1.953 4.672 2.708 334 1HD1 LEU 69 1HD1 LEU 69 -3.257 4.781 0.598 335 2HD1 LEU 69 2HD1 LEU 69 -3.319 6.325 1.456 336 3HD1 LEU 69 3HD1 LEU 69 -2.251 6.141 0.044 337 1HD2 LEU 69 1HD2 LEU 69 -1.282 3.431 0.599 338 2HD2 LEU 69 2HD2 LEU 69 0.007 4.645 0.409 339 3HD2 LEU 69 3HD2 LEU 69 -0.067 3.601 1.852 340 H ALA 70 H ALA 70 -0.362 8.081 4.815 341 HA ALA 70 HA ALA 70 1.868 9.746 4.198 342 1HB ALA 70 1HB ALA 70 -0.218 10.648 5.089 343 2HB ALA 70 2HB ALA 70 -0.037 9.720 6.585 344 3HB ALA 70 3HB ALA 70 1.095 11.034 6.217 345 H SER 71 H SER 71 1.529 7.017 6.396 346 HA SER 71 HA SER 71 3.741 7.592 8.138 347 1HB SER 71 1HB SER 71 1.981 5.986 8.685 348 2HB SER 71 2HB SER 71 2.558 4.894 7.420 349 HG SER 71 HG SER 71 3.357 5.093 9.924 350 H MET 72 H MET 72 3.471 5.483 5.198 351 HA MET 72 HA MET 72 6.315 5.132 4.879 352 1HB MET 72 1HB MET 72 5.755 4.162 2.706 353 2HB MET 72 2HB MET 72 4.766 3.454 3.982 354 1HG MET 72 1HG MET 72 2.902 4.818 3.408 355 2HG MET 72 2HG MET 72 3.892 5.768 2.305 356 1HE MET 72 1HE MET 72 3.338 1.860 2.754 357 2HE MET 72 2HE MET 72 1.860 2.801 3.080 358 3HE MET 72 3HE MET 72 1.925 1.727 1.673 359 H GLY 73 H GLY 73 4.865 8.092 4.738 360 1HA GLY 73 1HA GLY 73 5.856 10.061 3.996 361 2HA GLY 73 2HA GLY 73 7.051 9.102 3.114 362 H LEU 74 H LEU 74 3.751 8.272 2.395 363 HA LEU 74 HA LEU 74 3.904 9.287 -0.305 364 1HB LEU 74 1HB LEU 74 2.583 7.394 0.020 365 2HB LEU 74 2HB LEU 74 1.730 8.092 1.405 366 HG LEU 74 HG LEU 74 0.422 7.699 -0.632 367 1HD1 LEU 74 1HD1 LEU 74 -0.392 10.350 -0.360 368 2HD1 LEU 74 2HD1 LEU 74 -0.967 8.925 0.519 369 3HD1 LEU 74 3HD1 LEU 74 0.320 9.905 1.212 370 1HD2 LEU 74 1HD2 LEU 74 2.048 8.580 -2.314 371 2HD2 LEU 74 2HD2 LEU 74 0.356 9.061 -2.502 372 3HD2 LEU 74 3HD2 LEU 74 1.519 10.210 -1.864 373 H ASN 75 H ASN 75 3.086 11.088 -1.065 374 HA ASN 75 HA ASN 75 2.423 13.321 0.831 375 1HB ASN 75 1HB ASN 75 4.320 13.738 -0.658 376 2HB ASN 75 2HB ASN 75 3.320 13.380 -2.078 377 1HD2 ASN 75 1HD2 ASN 75 4.183 15.578 -2.567 378 2HD2 ASN 75 2HD2 ASN 75 3.129 16.920 -2.185 379 H THR 76 H THR 76 0.126 12.933 1.215 380 HA THR 76 HA THR 76 -1.727 12.122 -0.616 381 HB THR 76 HB THR 76 -3.297 13.346 0.924 382 HG1 THR 76 1HG THR 76 -2.146 15.055 1.669 383 1HG2 THR 76 1HG2 THR 76 -1.094 11.735 2.312 384 2HG2 THR 76 2HG2 THR 76 -2.706 12.063 2.950 385 3HG2 THR 76 3HG2 THR 76 -2.524 11.050 1.502 386 H ALA 77 H ALA 77 -0.240 15.410 -0.404 387 HA ALA 77 HA ALA 77 -2.382 16.666 -1.844 388 1HB ALA 77 1HB ALA 77 -0.937 18.569 -1.986 389 2HB ALA 77 2HB ALA 77 -0.884 17.899 -0.351 390 3HB ALA 77 3HB ALA 77 0.480 17.614 -1.503 391 H SER 78 H SER 78 0.424 14.818 -3.010 392 HA SER 78 HA SER 78 0.442 15.893 -5.663 393 1HB SER 78 1HB SER 78 1.130 13.106 -4.665 394 2HB SER 78 2HB SER 78 1.637 13.831 -6.207 395 HG SER 78 HG SER 78 2.805 15.388 -5.028 396 H VAL 79 H VAL 79 -1.751 13.640 -3.959 397 HA VAL 79 HA VAL 79 -2.830 12.575 -6.437 398 HB VAL 79 HB VAL 79 -3.463 11.974 -3.527 399 1HG1 VAL 79 1HG1 VAL 79 -4.381 9.862 -4.469 400 2HG1 VAL 79 2HG1 VAL 79 -5.248 11.274 -5.113 401 3HG1 VAL 79 3HG1 VAL 79 -4.040 10.447 -6.109 402 1HG2 VAL 79 1HG2 VAL 79 -2.077 9.933 -3.864 403 2HG2 VAL 79 2HG2 VAL 79 -1.623 10.572 -5.445 404 3HG2 VAL 79 3HG2 VAL 79 -1.126 11.401 -3.935 405 H ALA 80 H ALA 80 -4.591 13.426 -7.324 406 HA ALA 80 HA ALA 80 -6.071 15.646 -6.130 407 1HB ALA 80 1HB ALA 80 -6.327 14.087 -8.721 408 2HB ALA 80 2HB ALA 80 -7.414 15.409 -8.231 409 3HB ALA 80 3HB ALA 80 -5.680 15.728 -8.489 410 H GLY 81 H GLY 81 -7.170 14.958 -4.349 411 1HA GLY 81 1HA GLY 81 -9.281 14.263 -3.547 412 2HA GLY 81 2HA GLY 81 -9.323 12.958 -4.733 413 H MET 82 H MET 82 -6.819 13.897 -2.262 414 HA MET 82 HA MET 82 -7.204 11.169 -1.087 415 1HB MET 82 1HB MET 82 -5.191 11.407 -2.428 416 2HB MET 82 2HB MET 82 -4.575 12.599 -1.296 417 1HG MET 82 1HG MET 82 -4.555 10.965 0.490 418 2HG MET 82 2HG MET 82 -5.452 9.799 -0.479 419 1HE MET 82 1HE MET 82 -4.679 8.517 -2.315 420 2HE MET 82 2HE MET 82 -3.004 8.247 -2.854 421 3HE MET 82 3HE MET 82 -3.547 7.569 -1.317 422 H ASN 83 H ASN 83 -6.420 14.541 -0.261 423 HA ASN 83 HA ASN 83 -6.470 14.283 2.563 424 1HB ASN 83 1HB ASN 83 -6.640 16.718 2.549 425 2HB ASN 83 2HB ASN 83 -5.454 16.190 1.361 426 1HD2 ASN 83 1HD2 ASN 83 -5.911 16.475 -0.876 427 2HD2 ASN 83 2HD2 ASN 83 -7.240 17.434 -1.471 428 H LEU 84 H LEU 84 -8.951 13.196 1.038 429 HA LEU 84 HA LEU 84 -10.944 14.412 2.816 430 1HB LEU 84 1HB LEU 84 -12.568 13.752 0.883 431 2HB LEU 84 2HB LEU 84 -11.793 15.341 0.997 432 HG LEU 84 HG LEU 84 -11.882 14.386 -1.274 433 1HD1 LEU 84 1HD1 LEU 84 -10.036 15.472 -1.911 434 2HD1 LEU 84 2HD1 LEU 84 -9.995 15.910 -0.194 435 3HD1 LEU 84 3HD1 LEU 84 -8.980 14.597 -0.799 436 1HD2 LEU 84 1HD2 LEU 84 -10.646 12.532 -2.005 437 2HD2 LEU 84 2HD2 LEU 84 -9.756 12.380 -0.466 438 3HD2 LEU 84 3HD2 LEU 84 -11.489 11.987 -0.561 439 H LEU 85 H LEU 85 -9.308 11.533 1.967 440 HA LEU 85 HA LEU 85 -11.588 9.703 2.458 441 1HB LEU 85 1HB LEU 85 -8.664 9.403 1.719 442 2HB LEU 85 2HB LEU 85 -9.601 8.015 2.297 443 HG LEU 85 HG LEU 85 -10.830 9.612 0.078 444 1HD1 LEU 85 1HD1 LEU 85 -8.417 7.870 -0.424 445 2HD1 LEU 85 2HD1 LEU 85 -9.455 8.617 -1.648 446 3HD1 LEU 85 3HD1 LEU 85 -8.482 9.628 -0.581 447 1HD2 LEU 85 1HD2 LEU 85 -10.381 6.612 0.487 448 2HD2 LEU 85 2HD2 LEU 85 -11.834 7.514 0.970 449 3HD2 LEU 85 3HD2 LEU 85 -11.420 7.383 -0.746 450 H ALA 86 H ALA 86 -11.516 8.263 4.310 451 HA ALA 86 HA ALA 86 -10.774 9.610 6.692 452 1HB ALA 86 1HB ALA 86 -11.401 6.654 6.379 453 2HB ALA 86 2HB ALA 86 -11.537 7.591 7.844 454 3HB ALA 86 3HB ALA 86 -12.631 7.925 6.492 455 H ASP 87 H ASP 87 -9.368 8.869 8.385 456 HA ASP 87 HA ASP 87 -6.691 8.027 7.493 457 1HB ASP 87 1HB ASP 87 -7.893 9.254 9.887 458 2HB ASP 87 2HB ASP 87 -6.719 7.982 10.295 459 HD2 ASP 87 HD ASP 87 -5.232 11.018 8.146 460 H ASP 88 H ASP 88 -9.448 6.441 8.045 461 HA ASP 88 HA ASP 88 -8.174 3.837 8.080 462 1HB ASP 88 1HB ASP 88 -9.589 4.835 10.401 463 2HB ASP 88 2HB ASP 88 -10.466 3.445 9.730 464 HD2 ASP 88 HD ASP 88 -6.811 2.706 11.100 465 H ALA 89 H ALA 89 -8.800 4.569 5.803 466 HA ALA 89 HA ALA 89 -11.303 3.231 5.305 467 1HB ALA 89 1HB ALA 89 -11.652 4.758 3.225 468 2HB ALA 89 2HB ALA 89 -12.128 5.439 4.766 469 3HB ALA 89 3HB ALA 89 -10.583 5.923 4.009 470 H CYS 90 H CYS 90 -11.090 2.003 3.285 471 HA CYS 90 HA CYS 90 -8.398 1.433 2.405 472 1HB CYS 90 1HB CYS 90 -11.019 0.852 1.009 473 2HB CYS 90 2HB CYS 90 -9.450 0.072 0.713 474 HG CYS 90 HG CYS 90 -11.096 -1.636 1.809 475 H VAL 91 H VAL 91 -7.310 3.207 1.606 476 HA VAL 91 HA VAL 91 -8.481 5.047 -0.334 477 HB VAL 91 HB VAL 91 -5.638 4.605 0.694 478 1HG1 VAL 91 1HG1 VAL 91 -6.716 6.760 -1.145 479 2HG1 VAL 91 2HG1 VAL 91 -5.231 6.913 -0.197 480 3HG1 VAL 91 3HG1 VAL 91 -5.373 5.637 -1.420 481 1HG2 VAL 91 1HG2 VAL 91 -7.678 6.755 1.410 482 2HG2 VAL 91 2HG2 VAL 91 -7.165 5.426 2.455 483 3HG2 VAL 91 3HG2 VAL 91 -5.999 6.664 1.991 484 HA PRO 92 HA PRO 92 -7.279 2.076 -3.564 485 1HB PRO 92 1HB PRO 92 -8.076 3.364 -5.783 486 2HB PRO 92 2HB PRO 92 -9.258 2.825 -4.556 487 1HG PRO 92 1HG PRO 92 -7.959 5.578 -4.806 488 2HG PRO 92 2HG PRO 92 -9.713 5.225 -4.747 489 1HD PRO 92 1HD PRO 92 -8.291 5.899 -2.510 490 2HD PRO 92 2HD PRO 92 -9.610 4.697 -2.443 491 H LEU 93 H LEU 93 -5.085 2.903 -2.515 492 HA LEU 93 HA LEU 93 -3.500 4.926 -3.622 493 1HB LEU 93 1HB LEU 93 -2.684 3.631 -1.703 494 2HB LEU 93 2HB LEU 93 -2.640 2.146 -2.701 495 HG LEU 93 HG LEU 93 -0.910 3.295 -4.166 496 1HD1 LEU 93 1HD1 LEU 93 -0.650 5.243 -1.844 497 2HD1 LEU 93 2HD1 LEU 93 0.247 5.217 -3.383 498 3HD1 LEU 93 3HD1 LEU 93 -1.454 5.637 -3.378 499 1HD2 LEU 93 1HD2 LEU 93 -0.314 1.586 -2.523 500 2HD2 LEU 93 2HD2 LEU 93 0.945 2.789 -2.772 501 3HD2 LEU 93 3HD2 LEU 93 -0.048 2.862 -1.308 502 H THR 94 H THR 94 -3.842 1.543 -4.712 503 HA THR 94 HA THR 94 -1.901 1.620 -6.741 504 HB THR 94 HB THR 94 -3.204 -0.679 -7.132 505 HG1 THR 94 1HG THR 94 -5.083 -0.432 -5.903 506 1HG2 THR 94 1HG2 THR 94 -1.028 -0.311 -5.899 507 2HG2 THR 94 2HG2 THR 94 -1.954 -0.081 -4.408 508 3HG2 THR 94 3HG2 THR 94 -2.020 -1.642 -5.264 509 H THR 95 H THR 95 -5.048 2.995 -6.816 510 HA THR 95 HA THR 95 -5.074 2.825 -9.795 511 HB THR 95 HB THR 95 -7.316 3.572 -7.895 512 HG1 THR 95 1HG THR 95 -8.023 1.582 -8.080 513 1HG2 THR 95 1HG2 THR 95 -7.517 4.481 -10.217 514 2HG2 THR 95 2HG2 THR 95 -7.406 2.835 -10.850 515 3HG2 THR 95 3HG2 THR 95 -8.776 3.305 -9.825 516 H MET 96 H MET 96 -5.581 5.084 -6.997 517 HA MET 96 HA MET 96 -5.754 7.410 -8.660 518 1HB MET 96 1HB MET 96 -5.993 6.711 -5.879 519 2HB MET 96 2HB MET 96 -4.860 8.067 -5.980 520 1HG MET 96 1HG MET 96 -6.448 9.524 -6.785 521 2HG MET 96 2HG MET 96 -7.417 8.236 -7.538 522 1HE MET 96 1HE MET 96 -7.556 8.820 -2.925 523 2HE MET 96 2HE MET 96 -6.178 8.123 -3.794 524 3HE MET 96 3HE MET 96 -6.533 9.870 -3.907 525 H VAL 97 H VAL 97 -3.052 5.955 -6.777 526 HA VAL 97 HA VAL 97 -1.125 7.782 -8.066 527 HB VAL 97 HB VAL 97 -0.666 5.609 -5.961 528 1HG1 VAL 97 1HG1 VAL 97 1.282 6.097 -7.399 529 2HG1 VAL 97 2HG1 VAL 97 1.129 7.822 -7.047 530 3HG1 VAL 97 3HG1 VAL 97 1.531 6.677 -5.745 531 1HG2 VAL 97 1HG2 VAL 97 -0.307 7.503 -4.403 532 2HG2 VAL 97 2HG2 VAL 97 -0.795 8.619 -5.686 533 3HG2 VAL 97 3HG2 VAL 97 -1.979 7.481 -4.999 534 H GLN 98 H GLN 98 -1.110 7.136 -10.142 535 HA GLN 98 HA GLN 98 -1.224 4.380 -11.003 536 1HB GLN 98 1HB GLN 98 -1.510 6.656 -12.332 537 2HB GLN 98 2HB GLN 98 0.257 6.563 -12.470 538 1HG GLN 98 1HG GLN 98 -0.007 4.222 -13.380 539 2HG GLN 98 2HG GLN 98 -1.769 4.439 -13.337 540 1HE2 GLN 98 1HE2 GLN 98 1.089 6.334 -14.426 541 2HE2 GLN 98 2HE2 GLN 98 0.323 6.920 -15.896 542 H ASP 99 H ASP 99 0.721 3.183 -11.781 543 HA ASP 99 HA ASP 99 2.744 2.228 -11.512 544 1HB ASP 99 1HB ASP 99 3.529 4.488 -12.315 545 2HB ASP 99 2HB ASP 99 3.859 4.901 -10.628 546 HD2 ASP 99 HD ASP 99 6.232 1.948 -11.805 547 H ALA 100 H ALA 100 0.968 3.318 -8.930 548 HA ALA 100 HA ALA 100 2.806 2.176 -6.938 549 1HB ALA 100 1HB ALA 100 1.074 2.628 -5.302 550 2HB ALA 100 2HB ALA 100 1.448 4.101 -6.212 551 3HB ALA 100 3HB ALA 100 -0.039 3.184 -6.570 552 H THR 101 H THR 101 2.463 0.211 -6.063 553 HA THR 101 HA THR 101 0.313 -1.545 -7.059 554 HB THR 101 HB THR 101 1.985 -3.274 -7.804 555 HG1 THR 101 1HG THR 101 3.990 -2.224 -8.593 556 1HG2 THR 101 1HG2 THR 101 2.115 -0.707 -9.464 557 2HG2 THR 101 2HG2 THR 101 2.267 -2.374 -10.034 558 3HG2 THR 101 3HG2 THR 101 0.722 -1.816 -9.420 559 H ALA 102 H ALA 102 0.125 -3.456 -5.726 560 HA ALA 102 HA ALA 102 1.836 -3.525 -3.293 561 1HB ALA 102 1HB ALA 102 -0.198 -3.702 -1.929 562 2HB ALA 102 2HB ALA 102 -0.142 -2.151 -2.783 563 3HB ALA 102 3HB ALA 102 -1.211 -3.444 -3.366 564 H HIS 103 H HIS 103 2.800 -5.418 -3.773 565 HA HIS 103 HA HIS 103 1.203 -7.797 -4.665 566 1HB HIS 103 1HB HIS 103 2.750 -7.698 -6.284 567 2HB HIS 103 2HB HIS 103 3.909 -6.775 -5.319 568 HD1 HIS 103 1HD HIS 103 6.052 -8.155 -5.721 569 HD2 HIS 103 2HD HIS 103 2.764 -10.452 -4.432 570 HE1 HIS 103 1HE HIS 103 6.924 -10.483 -5.143 571 HE2 HIS 103 2HE HIS 103 4.927 -11.889 -4.389 572 H LEU 104 H LEU 104 0.740 -9.131 -2.998 573 HA LEU 104 HA LEU 104 2.317 -9.205 -0.506 574 1HB LEU 104 1HB LEU 104 0.119 -9.383 0.015 575 2HB LEU 104 2HB LEU 104 -0.331 -10.226 -1.455 576 HG LEU 104 HG LEU 104 1.164 -12.129 -0.187 577 1HD1 LEU 104 1HD1 LEU 104 1.679 -11.687 1.767 578 2HD1 LEU 104 2HD1 LEU 104 0.630 -10.270 1.893 579 3HD1 LEU 104 3HD1 LEU 104 -0.003 -11.914 2.198 580 1HD2 LEU 104 1HD2 LEU 104 -1.096 -13.053 0.515 581 2HD2 LEU 104 2HD2 LEU 104 -1.749 -11.696 -0.418 582 3HD2 LEU 104 3HD2 LEU 104 -0.686 -12.845 -1.192 583 H ASP 105 H ASP 105 4.119 -10.382 -0.450 584 HA ASP 105 HA ASP 105 4.336 -12.999 -1.835 585 1HB ASP 105 1HB ASP 105 6.168 -11.276 -1.990 586 2HB ASP 105 2HB ASP 105 6.326 -11.365 -0.230 587 HD2 ASP 105 HD ASP 105 7.395 -14.902 -0.966 588 H VAL 106 H VAL 106 2.834 -14.223 -0.338 589 HA VAL 106 HA VAL 106 3.236 -14.181 2.513 590 HB VAL 106 HB VAL 106 1.945 -16.105 0.590 591 1HG1 VAL 106 1HG1 VAL 106 2.880 -17.675 2.223 592 2HG1 VAL 106 2HG1 VAL 106 2.280 -16.674 3.570 593 3HG1 VAL 106 3HG1 VAL 106 1.146 -17.503 2.477 594 1HG2 VAL 106 1HG2 VAL 106 0.987 -14.541 3.038 595 2HG2 VAL 106 2HG2 VAL 106 0.786 -14.066 1.333 596 3HG2 VAL 106 3HG2 VAL 106 -0.042 -15.496 1.942 597 H GLY 107 H GLY 107 5.175 -15.734 -0.039 598 1HA GLY 107 1HA GLY 107 6.329 -17.775 1.621 599 2HA GLY 107 2HA GLY 107 6.951 -17.166 0.085 600 H GLN 108 H GLN 108 7.111 -14.374 1.048 601 HA GLN 108 HA GLN 108 9.353 -14.599 3.002 602 1HB GLN 108 1HB GLN 108 9.436 -13.639 0.448 603 2HB GLN 108 2HB GLN 108 9.099 -12.145 1.330 604 1HG GLN 108 1HG GLN 108 11.451 -12.255 1.299 605 2HG GLN 108 2HG GLN 108 11.082 -12.885 2.895 606 1HE2 GLN 108 1HE2 GLN 108 11.322 -15.246 3.233 607 2HE2 GLN 108 2HE2 GLN 108 12.137 -16.245 2.023 608 H GLN 109 H GLN 109 6.217 -13.862 3.004 609 HA GLN 109 HA GLN 109 4.803 -12.511 3.932 610 1HB GLN 109 1HB GLN 109 6.803 -12.666 6.205 611 2HB GLN 109 2HB GLN 109 5.177 -11.952 6.315 612 1HG GLN 109 1HG GLN 109 4.339 -14.175 5.291 613 2HG GLN 109 2HG GLN 109 5.943 -14.833 5.616 614 1HE2 GLN 109 1HE2 GLN 109 3.243 -13.101 7.328 615 2HE2 GLN 109 2HE2 GLN 109 3.160 -14.276 8.591 616 H ARG 110 H ARG 110 5.888 -11.267 2.037 617 HA ARG 110 HA ARG 110 6.697 -8.572 2.999 618 1HB ARG 110 1HB ARG 110 8.575 -10.025 2.246 619 2HB ARG 110 2HB ARG 110 7.869 -10.014 0.629 620 1HG ARG 110 1HG ARG 110 7.848 -7.327 1.260 621 2HG ARG 110 2HG ARG 110 9.262 -7.863 2.174 622 1HD ARG 110 1HD ARG 110 9.328 -8.943 -0.531 623 2HD ARG 110 2HD ARG 110 9.056 -7.174 -0.547 624 HE ARG 110 HE ARG 110 11.244 -8.155 1.139 625 1HH1 ARG 110 2HH2 ARG 110 10.365 -6.990 -2.106 626 2HH1 ARG 110 1HH2 ARG 110 11.922 -6.464 -2.539 627 1HH2 ARG 110 2HH1 ARG 110 13.377 -7.397 0.606 628 2HH2 ARG 110 1HH1 ARG 110 13.671 -6.595 -0.910 629 H LEU 111 H LEU 111 5.056 -7.273 2.621 630 HA LEU 111 HA LEU 111 3.458 -7.565 0.172 631 1HB LEU 111 1HB LEU 111 2.222 -7.158 2.191 632 2HB LEU 111 2HB LEU 111 3.208 -5.743 2.575 633 HG LEU 111 HG LEU 111 2.357 -4.661 0.551 634 1HD1 LEU 111 1HD1 LEU 111 0.577 -7.096 0.250 635 2HD1 LEU 111 2HD1 LEU 111 0.326 -5.558 -0.602 636 3HD1 LEU 111 3HD1 LEU 111 1.791 -6.479 -0.903 637 1HD2 LEU 111 1HD2 LEU 111 0.193 -4.068 1.422 638 2HD2 LEU 111 2HD2 LEU 111 0.073 -5.613 2.305 639 3HD2 LEU 111 3HD2 LEU 111 1.259 -4.389 2.777 640 H ASN 112 H ASN 112 5.028 -7.221 -1.273 641 HA ASN 112 HA ASN 112 7.002 -5.128 -1.432 642 1HB ASN 112 1HB ASN 112 5.579 -6.885 -3.475 643 2HB ASN 112 2HB ASN 112 6.785 -5.647 -3.928 644 1HD2 ASN 112 1HD2 ASN 112 6.331 -8.866 -2.455 645 2HD2 ASN 112 2HD2 ASN 112 8.014 -9.236 -2.748 646 H LEU 113 H LEU 113 6.651 -2.985 -1.891 647 HA LEU 113 HA LEU 113 4.120 -2.242 -3.162 648 1HB LEU 113 1HB LEU 113 4.732 -1.975 -0.372 649 2HB LEU 113 2HB LEU 113 4.876 -0.361 -1.114 650 HG LEU 113 HG LEU 113 2.558 -1.318 -2.193 651 1HD1 LEU 113 1HD1 LEU 113 2.380 -3.237 -0.986 652 2HD1 LEU 113 2HD1 LEU 113 2.583 -2.394 0.567 653 3HD1 LEU 113 3HD1 LEU 113 1.121 -2.130 -0.414 654 1HD2 LEU 113 1HD2 LEU 113 2.645 0.309 0.280 655 2HD2 LEU 113 2HD2 LEU 113 2.892 0.925 -1.386 656 3HD2 LEU 113 3HD2 LEU 113 1.338 0.220 -0.924 657 H THR 114 H THR 114 4.210 -0.408 -4.386 658 HA THR 114 HA THR 114 6.773 1.078 -4.430 659 HB THR 114 HB THR 114 5.197 0.056 -6.854 660 HG1 THR 114 1HG THR 114 6.451 -1.566 -5.951 661 1HG2 THR 114 1HG2 THR 114 6.191 2.201 -7.381 662 2HG2 THR 114 2HG2 THR 114 7.763 1.680 -6.700 663 3HG2 THR 114 3HG2 THR 114 7.112 0.899 -8.166 664 H ILE 115 H ILE 115 6.552 3.219 -4.981 665 HA ILE 115 HA ILE 115 4.045 4.269 -5.837 666 HB ILE 115 HB ILE 115 5.350 5.153 -3.230 667 1HG1 ILE 115 1HG1 ILE 115 2.501 4.655 -4.193 668 2HG1 ILE 115 2HG1 ILE 115 3.444 3.607 -3.104 669 1HG2 ILE 115 1HG2 ILE 115 4.125 7.283 -3.288 670 2HG2 ILE 115 2HG2 ILE 115 5.316 7.183 -4.549 671 3HG2 ILE 115 3HG2 ILE 115 3.606 6.937 -4.961 672 1HD1 ILE 115 1HD1 ILE 115 1.915 4.725 -1.745 673 2HD1 ILE 115 2HD1 ILE 115 3.489 5.496 -1.464 674 3HD1 ILE 115 3HD1 ILE 115 2.272 6.306 -2.491 675 HA PRO 116 HA PRO 116 7.277 6.067 -8.434 676 1HB PRO 116 1HB PRO 116 5.794 8.141 -9.470 677 2HB PRO 116 2HB PRO 116 5.732 6.467 -10.077 678 1HG PRO 116 1HG PRO 116 3.875 7.804 -8.135 679 2HG PRO 116 2HG PRO 116 3.466 6.820 -9.557 680 1HD PRO 116 1HD PRO 116 3.481 5.805 -7.020 681 2HD PRO 116 2HD PRO 116 4.085 4.806 -8.359 682 H GLN 117 H GLN 117 8.719 7.526 -7.873 683 HA GLN 117 HA GLN 117 8.979 8.830 -5.490 684 1HB GLN 117 1HB GLN 117 10.157 9.392 -8.221 685 2HB GLN 117 2HB GLN 117 10.727 10.238 -6.767 686 1HG GLN 117 1HG GLN 117 11.887 8.043 -7.764 687 2HG GLN 117 2HG GLN 117 11.956 8.517 -6.057 688 1HE2 GLN 117 1HE2 GLN 117 10.880 7.267 -4.507 689 2HE2 GLN 117 2HE2 GLN 117 10.115 5.713 -4.923 690 H ALA 118 H ALA 118 7.360 10.107 -8.320 691 HA ALA 118 HA ALA 118 7.227 12.859 -7.716 692 1HB ALA 118 1HB ALA 118 5.170 11.035 -9.017 693 2HB ALA 118 2HB ALA 118 5.084 12.803 -9.006 694 3HB ALA 118 3HB ALA 118 6.431 11.988 -9.822 695 H PHE 119 H PHE 119 5.267 10.132 -6.254 696 HA PHE 119 HA PHE 119 3.625 12.170 -4.870 697 1HB PHE 119 1HB PHE 119 3.342 9.195 -5.268 698 2HB PHE 119 2HB PHE 119 2.199 10.193 -4.377 699 HD1 PHE 119 1HD PHE 119 3.756 9.815 -7.764 700 HD2 PHE 119 2HD PHE 119 0.409 11.196 -5.520 701 HE1 PHE 119 1HE PHE 119 2.457 9.932 -9.828 702 HE2 PHE 119 2HE PHE 119 -0.980 11.264 -7.626 703 HZ PHE 119 HZ PHE 119 0.031 10.510 -9.775 704 H MET 120 H MET 120 6.435 11.755 -4.033 705 HA MET 120 HA MET 120 6.062 10.521 -1.345 706 1HB MET 120 1HB MET 120 8.369 10.181 -3.292 707 2HB MET 120 2HB MET 120 8.452 9.797 -1.549 708 1HG MET 120 1HG MET 120 6.302 8.363 -2.109 709 2HG MET 120 2HG MET 120 7.021 8.379 -3.729 710 1HE MET 120 1HE MET 120 8.707 8.366 -0.055 711 2HE MET 120 2HE MET 120 7.344 7.264 0.040 712 3HE MET 120 3HE MET 120 9.001 6.632 0.137 713 H SER 121 H SER 121 6.535 11.878 0.192 714 HA SER 121 HA SER 121 6.835 14.573 -0.513 715 1HB SER 121 1HB SER 121 5.665 13.581 1.487 716 2HB SER 121 2HB SER 121 7.246 13.387 2.265 717 HG SER 121 HG SER 121 6.155 15.834 1.259 718 H ASN 122 H ASN 122 9.230 12.623 1.384 719 HA ASN 122 HA ASN 122 11.440 13.320 -0.082 720 1HB ASN 122 1HB ASN 122 10.673 15.569 1.531 721 2HB ASN 122 2HB ASN 122 12.157 14.899 2.244 722 1HD2 ASN 122 1HD2 ASN 122 10.743 16.244 -0.748 723 2HD2 ASN 122 2HD2 ASN 122 12.286 16.617 -1.498 724 H ARG 123 H ARG 123 10.159 12.660 3.177 725 HA ARG 123 HA ARG 123 12.288 10.653 3.585 726 1HB ARG 123 1HB ARG 123 11.363 12.758 5.571 727 2HB ARG 123 2HB ARG 123 12.224 11.272 6.033 728 1HG ARG 123 1HG ARG 123 13.384 13.305 4.091 729 2HG ARG 123 2HG ARG 123 13.615 13.411 5.859 730 1HD ARG 123 1HD ARG 123 14.674 11.217 5.894 731 2HD ARG 123 2HD ARG 123 14.397 11.038 4.148 732 HE ARG 123 HE ARG 123 15.942 13.396 4.978 733 1HH1 ARG 123 2HH2 ARG 123 16.302 9.955 4.295 734 2HH1 ARG 123 1HH2 ARG 123 17.746 10.120 3.345 735 1HH2 ARG 123 2HH1 ARG 123 17.973 13.624 3.771 736 2HH2 ARG 123 1HH1 ARG 123 18.562 12.265 2.879 737 H ALA 124 H ALA 124 11.341 8.769 3.979 738 HA ALA 124 HA ALA 124 8.566 8.575 5.047 739 1HB ALA 124 1HB ALA 124 10.408 6.459 3.819 740 2HB ALA 124 2HB ALA 124 8.750 6.202 4.400 741 3HB ALA 124 3HB ALA 124 9.045 7.251 2.985 742 H ARG 125 H ARG 125 8.466 8.134 7.287 743 HA ARG 125 HA ARG 125 11.046 7.577 8.651 744 1HB ARG 125 1HB ARG 125 9.145 9.895 9.147 745 2HB ARG 125 2HB ARG 125 10.462 9.428 10.238 746 1HG ARG 125 1HG ARG 125 10.850 10.241 7.343 747 2HG ARG 125 2HG ARG 125 10.956 11.375 8.698 748 1HD ARG 125 1HD ARG 125 12.655 8.865 8.602 749 2HD ARG 125 2HD ARG 125 13.152 10.332 7.736 750 HE ARG 125 HE ARG 125 13.201 9.820 10.586 751 1HH1 ARG 125 2HH2 ARG 125 12.941 12.514 8.228 752 2HH1 ARG 125 1HH2 ARG 125 14.078 13.499 9.039 753 1HH2 ARG 125 2HH1 ARG 125 14.338 11.443 11.919 754 2HH2 ARG 125 1HH1 ARG 125 14.666 12.987 11.216 Start of MODEL 3 1 1H GLY 25 H GLY 25 -8.645 -10.720 -13.438 2 1HA GLY 25 1HA GLY 25 -8.424 -13.091 -13.932 3 2HA GLY 25 2HA GLY 25 -6.900 -13.068 -13.018 4 H GLN 26 H GLN 26 -7.487 -14.505 -11.452 5 HA GLN 26 HA GLN 26 -7.916 -13.330 -9.092 6 1HB GLN 26 1HB GLN 26 -10.303 -13.214 -9.325 7 2HB GLN 26 2HB GLN 26 -10.392 -14.877 -9.952 8 1HG GLN 26 1HG GLN 26 -11.300 -14.934 -7.819 9 2HG GLN 26 2HG GLN 26 -9.740 -15.697 -7.650 10 1HE2 GLN 26 1HE2 GLN 26 -7.876 -13.532 -6.998 11 2HE2 GLN 26 2HE2 GLN 26 -8.540 -13.045 -5.485 12 H GLU 27 H GLU 27 -6.845 -14.793 -7.618 13 HA GLU 27 HA GLU 27 -7.138 -17.660 -7.939 14 1HB GLU 27 1HB GLU 27 -4.563 -17.871 -8.031 15 2HB GLU 27 2HB GLU 27 -5.379 -17.378 -9.525 16 1HG GLU 27 1HG GLU 27 -4.808 -15.005 -9.028 17 2HG GLU 27 2HG GLU 27 -3.981 -15.544 -7.549 18 HE2 GLU 27 HE GLU 27 -1.105 -15.880 -9.427 19 H LEU 28 H LEU 28 -7.552 -15.442 -5.950 20 HA LEU 28 HA LEU 28 -6.391 -16.779 -3.684 21 1HB LEU 28 1HB LEU 28 -4.571 -15.260 -4.709 22 2HB LEU 28 2HB LEU 28 -5.473 -13.896 -4.047 23 HG LEU 28 HG LEU 28 -5.135 -14.702 -1.782 24 1HD1 LEU 28 1HD1 LEU 28 -5.186 -17.106 -1.963 25 2HD1 LEU 28 2HD1 LEU 28 -3.837 -17.101 -3.132 26 3HD1 LEU 28 3HD1 LEU 28 -3.556 -16.689 -1.423 27 1HD2 LEU 28 1HD2 LEU 28 -2.526 -14.976 -3.327 28 2HD2 LEU 28 2HD2 LEU 28 -3.288 -13.429 -3.004 29 3HD2 LEU 28 3HD2 LEU 28 -2.716 -14.428 -1.649 30 HA PRO 29 HA PRO 29 -10.419 -15.072 -2.503 31 1HB PRO 29 1HB PRO 29 -9.633 -16.098 0.223 32 2HB PRO 29 2HB PRO 29 -11.142 -16.344 -0.639 33 1HG PRO 29 1HG PRO 29 -9.272 -18.305 -0.494 34 2HG PRO 29 2HG PRO 29 -10.214 -18.034 -2.033 35 1HD PRO 29 1HD PRO 29 -7.390 -17.230 -1.353 36 2HD PRO 29 2HD PRO 29 -8.045 -17.876 -2.868 37 HA PRO 30 HA PRO 30 -9.150 -11.330 -0.214 38 1HB PRO 30 1HB PRO 30 -11.511 -10.503 0.868 39 2HB PRO 30 2HB PRO 30 -11.112 -10.354 -0.867 40 1HG PRO 30 1HG PRO 30 -12.805 -12.437 0.421 41 2HG PRO 30 2HG PRO 30 -13.048 -11.553 -1.134 42 1HD PRO 30 1HD PRO 30 -12.007 -14.084 -0.998 43 2HD PRO 30 2HD PRO 30 -11.558 -12.913 -2.267 44 H GLY 31 H GLY 31 -9.501 -10.305 2.265 45 1HA GLY 31 1HA GLY 31 -9.962 -11.698 4.556 46 2HA GLY 31 2HA GLY 31 -8.530 -12.521 3.945 47 H THR 32 H THR 32 -7.185 -11.852 5.706 48 HA THR 32 HA THR 32 -5.999 -9.230 5.241 49 HB THR 32 HB THR 32 -7.577 -8.975 7.194 50 HG1 THR 32 1HG THR 32 -6.282 -7.553 7.834 51 1HG2 THR 32 1HG2 THR 32 -7.308 -11.162 8.319 52 2HG2 THR 32 2HG2 THR 32 -5.607 -10.764 8.677 53 3HG2 THR 32 3HG2 THR 32 -6.894 -9.812 9.395 54 H TYR 33 H TYR 33 -3.721 -9.259 5.358 55 HA TYR 33 HA TYR 33 -2.568 -11.893 6.035 56 1HB TYR 33 1HB TYR 33 -0.903 -11.417 4.130 57 2HB TYR 33 2HB TYR 33 -2.467 -12.200 3.834 58 HD1 TYR 33 1HD TYR 33 -1.149 -8.590 3.764 59 HD2 TYR 33 2HD TYR 33 -3.168 -11.764 1.680 60 HE1 TYR 33 1HE TYR 33 -1.813 -7.033 1.997 61 HE2 TYR 33 2HE TYR 33 -3.596 -10.231 -0.204 62 HH TYR 33 HH TYR 33 -2.842 -7.959 -1.130 63 H ARG 34 H ARG 34 -0.686 -11.961 7.097 64 HA ARG 34 HA ARG 34 0.097 -9.371 8.304 65 1HB ARG 34 1HB ARG 34 -0.484 -11.533 9.623 66 2HB ARG 34 2HB ARG 34 1.132 -12.078 9.190 67 1HG ARG 34 1HG ARG 34 0.466 -9.504 10.661 68 2HG ARG 34 2HG ARG 34 0.999 -11.026 11.415 69 1HD ARG 34 1HD ARG 34 2.968 -10.468 9.503 70 2HD ARG 34 2HD ARG 34 2.580 -8.873 10.143 71 HE ARG 34 HE ARG 34 3.941 -11.069 11.410 72 1HH1 ARG 34 2HH2 ARG 34 2.081 -8.159 12.155 73 2HH1 ARG 34 1HH2 ARG 34 2.635 -7.993 13.779 74 1HH2 ARG 34 2HH1 ARG 34 4.478 -11.076 13.597 75 2HH2 ARG 34 1HH1 ARG 34 4.079 -9.753 14.648 76 H VAL 35 H VAL 35 1.792 -8.325 7.292 77 HA VAL 35 HA VAL 35 4.170 -9.788 6.352 78 HB VAL 35 HB VAL 35 3.841 -8.789 4.046 79 1HG1 VAL 35 1HG1 VAL 35 2.957 -10.634 3.190 80 2HG1 VAL 35 2HG1 VAL 35 3.188 -11.224 4.810 81 3HG1 VAL 35 3HG1 VAL 35 1.573 -10.696 4.334 82 1HG2 VAL 35 1HG2 VAL 35 1.497 -8.321 3.302 83 2HG2 VAL 35 2HG2 VAL 35 0.949 -8.373 4.964 84 3HG2 VAL 35 3HG2 VAL 35 2.100 -7.117 4.468 85 H ASP 36 H ASP 36 5.633 -8.236 5.183 86 HA ASP 36 HA ASP 36 5.818 -5.822 6.895 87 1HB ASP 36 1HB ASP 36 7.976 -6.717 5.012 88 2HB ASP 36 2HB ASP 36 8.009 -5.726 6.511 89 HD2 ASP 36 HD ASP 36 9.288 -9.217 6.975 90 H ILE 37 H ILE 37 5.084 -4.046 5.981 91 HA ILE 37 HA ILE 37 4.434 -3.718 3.149 92 HB ILE 37 HB ILE 37 4.478 -1.856 5.567 93 1HG1 ILE 37 1HG1 ILE 37 1.926 -2.442 4.153 94 2HG1 ILE 37 2HG1 ILE 37 2.600 -3.823 5.035 95 1HG2 ILE 37 1HG2 ILE 37 3.229 -0.247 4.177 96 2HG2 ILE 37 2HG2 ILE 37 4.849 -0.533 3.537 97 3HG2 ILE 37 3HG2 ILE 37 3.447 -1.291 2.753 98 1HD1 ILE 37 1HD1 ILE 37 1.922 -1.113 6.242 99 2HD1 ILE 37 2HD1 ILE 37 1.013 -2.621 6.454 100 3HD1 ILE 37 3HD1 ILE 37 2.641 -2.484 7.118 101 H TYR 38 H TYR 38 6.160 -3.678 1.793 102 HA TYR 38 HA TYR 38 8.560 -2.088 2.558 103 1HB TYR 38 1HB TYR 38 8.220 -4.452 0.725 104 2HB TYR 38 2HB TYR 38 9.350 -3.146 0.276 105 HD1 TYR 38 1HD TYR 38 8.560 -5.227 3.330 106 HD2 TYR 38 2HD TYR 38 11.559 -3.448 0.801 107 HE1 TYR 38 1HE TYR 38 10.353 -6.068 4.847 108 HE2 TYR 38 2HE TYR 38 13.331 -4.206 2.329 109 HH TYR 38 HH TYR 38 13.517 -4.775 4.745 110 H LEU 39 H LEU 39 8.348 -0.096 1.729 111 HA LEU 39 HA LEU 39 6.645 0.317 -0.675 112 1HB LEU 39 1HB LEU 39 6.057 1.721 1.314 113 2HB LEU 39 2HB LEU 39 7.703 2.384 1.260 114 HG LEU 39 HG LEU 39 7.181 3.043 -1.192 115 1HD1 LEU 39 1HD1 LEU 39 4.341 2.555 -0.256 116 2HD1 LEU 39 2HD1 LEU 39 4.843 3.303 -1.778 117 3HD1 LEU 39 3HD1 LEU 39 5.167 1.595 -1.509 118 1HD2 LEU 39 1HD2 LEU 39 6.054 5.056 -0.584 119 2HD2 LEU 39 2HD2 LEU 39 5.463 4.333 0.915 120 3HD2 LEU 39 3HD2 LEU 39 7.207 4.639 0.703 121 H ASN 40 H ASN 40 7.633 0.454 -2.411 122 HA ASN 40 HA ASN 40 9.208 0.673 -3.962 123 1HB ASN 40 1HB ASN 40 10.035 2.848 -4.353 124 2HB ASN 40 2HB ASN 40 8.319 2.809 -3.985 125 1HD2 ASN 40 1HD2 ASN 40 7.955 4.879 -3.282 126 2HD2 ASN 40 2HD2 ASN 40 8.820 5.571 -1.931 127 H ASN 41 H ASN 41 9.999 -1.041 -2.467 128 HA ASN 41 HA ASN 41 11.619 -2.457 -2.264 129 1HB ASN 41 1HB ASN 41 13.532 -0.309 -3.189 130 2HB ASN 41 2HB ASN 41 13.916 -2.041 -2.962 131 1HD2 ASN 41 1HD2 ASN 41 12.799 0.275 -5.271 132 2HD2 ASN 41 2HD2 ASN 41 12.166 -0.908 -6.405 133 H GLY 42 H GLY 42 10.970 -0.169 -0.033 134 1HA GLY 42 1HA GLY 42 13.058 -1.282 1.817 135 2HA GLY 42 2HA GLY 42 12.706 0.443 1.747 136 H TYR 43 H TYR 43 12.318 -1.851 3.801 137 HA TYR 43 HA TYR 43 9.652 -2.333 4.529 138 1HB TYR 43 1HB TYR 43 11.393 -3.355 5.740 139 2HB TYR 43 2HB TYR 43 12.245 -1.812 5.992 140 HD1 TYR 43 1HD TYR 43 11.742 -0.347 7.833 141 HD2 TYR 43 2HD TYR 43 9.377 -3.901 7.140 142 HE1 TYR 43 1HE TYR 43 10.664 -0.047 10.016 143 HE2 TYR 43 2HE TYR 43 8.291 -3.594 9.317 144 HH TYR 43 HH TYR 43 9.150 -0.887 11.515 145 H MET 44 H MET 44 8.109 -1.168 5.607 146 HA MET 44 HA MET 44 8.712 1.559 6.656 147 1HB MET 44 1HB MET 44 6.304 0.668 5.029 148 2HB MET 44 2HB MET 44 6.399 2.209 5.914 149 1HG MET 44 1HG MET 44 8.352 1.348 3.760 150 2HG MET 44 2HG MET 44 6.948 2.385 3.483 151 1HE MET 44 1HE MET 44 8.906 4.111 2.323 152 2HE MET 44 2HE MET 44 10.390 4.466 3.237 153 3HE MET 44 3HE MET 44 10.009 2.788 2.791 154 H ALA 45 H ALA 45 6.439 -1.289 6.795 155 HA ALA 45 HA ALA 45 6.358 -1.090 9.691 156 1HB ALA 45 1HB ALA 45 4.613 0.544 9.103 157 2HB ALA 45 2HB ALA 45 3.854 -0.616 8.001 158 3HB ALA 45 3HB ALA 45 3.854 -0.919 9.751 159 H THR 46 H THR 46 5.031 -2.975 10.575 160 HA THR 46 HA THR 46 4.508 -5.144 8.639 161 HB THR 46 HB THR 46 6.286 -5.393 11.094 162 HG1 THR 46 1HG THR 46 7.259 -6.505 8.877 163 1HG2 THR 46 1HG2 THR 46 5.198 -7.617 9.314 164 2HG2 THR 46 2HG2 THR 46 6.468 -7.794 10.529 165 3HG2 THR 46 3HG2 THR 46 4.838 -7.374 11.046 166 H ARG 47 H ARG 47 2.549 -5.993 9.043 167 HA ARG 47 HA ARG 47 1.274 -6.398 11.552 168 1HB ARG 47 1HB ARG 47 -0.549 -4.628 11.056 169 2HB ARG 47 2HB ARG 47 0.930 -4.220 11.976 170 1HG ARG 47 1HG ARG 47 1.317 -2.519 10.665 171 2HG ARG 47 2HG ARG 47 1.392 -3.545 9.220 172 1HD ARG 47 1HD ARG 47 -0.173 -1.623 9.096 173 2HD ARG 47 2HD ARG 47 -0.809 -3.225 8.661 174 HE ARG 47 HE ARG 47 -1.347 -2.588 11.425 175 1HH1 ARG 47 2HH2 ARG 47 -2.288 -1.519 8.249 176 2HH1 ARG 47 1HH2 ARG 47 -4.008 -1.575 8.481 177 1HH2 ARG 47 2HH1 ARG 47 -3.703 -2.551 11.889 178 2HH2 ARG 47 1HH1 ARG 47 -4.804 -2.266 10.576 179 H ASP 48 H ASP 48 -1.253 -6.371 10.934 180 HA ASP 48 HA ASP 48 -1.701 -8.285 8.712 181 1HB ASP 48 1HB ASP 48 -3.210 -7.373 11.096 182 2HB ASP 48 2HB ASP 48 -4.178 -7.458 9.606 183 HD2 ASP 48 HD ASP 48 -2.804 -11.077 10.228 184 H VAL 49 H VAL 49 -2.378 -7.538 6.773 185 HA VAL 49 HA VAL 49 -3.343 -4.734 6.527 186 HB VAL 49 HB VAL 49 -2.045 -6.163 4.206 187 1HG1 VAL 49 1HG1 VAL 49 -1.638 -3.858 3.486 188 2HG1 VAL 49 2HG1 VAL 49 -3.361 -4.051 3.910 189 3HG1 VAL 49 3HG1 VAL 49 -2.245 -3.230 5.024 190 1HG2 VAL 49 1HG2 VAL 49 -0.565 -4.569 6.320 191 2HG2 VAL 49 2HG2 VAL 49 -0.280 -6.267 5.860 192 3HG2 VAL 49 3HG2 VAL 49 0.079 -4.978 4.716 193 H THR 50 H THR 50 -5.567 -5.118 6.579 194 HA THR 50 HA THR 50 -6.804 -7.452 5.492 195 HB THR 50 HB THR 50 -7.968 -4.743 6.175 196 HG1 THR 50 1HG THR 50 -8.256 -5.705 8.230 197 1HG2 THR 50 1HG2 THR 50 -9.197 -7.536 6.159 198 2HG2 THR 50 2HG2 THR 50 -10.023 -6.048 6.677 199 3HG2 THR 50 3HG2 THR 50 -9.551 -6.252 4.981 200 H PHE 51 H PHE 51 -7.170 -7.939 3.285 201 HA PHE 51 HA PHE 51 -7.233 -5.698 1.402 202 1HB PHE 51 1HB PHE 51 -6.728 -7.640 -0.178 203 2HB PHE 51 2HB PHE 51 -5.442 -7.172 0.942 204 HD1 PHE 51 1HD PHE 51 -4.939 -8.650 2.950 205 HD2 PHE 51 2HD PHE 51 -7.619 -9.819 -0.143 206 HE1 PHE 51 1HE PHE 51 -4.764 -11.064 3.625 207 HE2 PHE 51 2HE PHE 51 -7.317 -12.172 0.525 208 HZ PHE 51 HZ PHE 51 -5.943 -12.792 2.462 209 H ASN 52 H ASN 52 -8.651 -5.982 -0.442 210 HA ASN 52 HA ASN 52 -11.145 -7.491 -0.040 211 1HB ASN 52 1HB ASN 52 -11.024 -4.460 -0.314 212 2HB ASN 52 2HB ASN 52 -12.466 -5.465 -0.639 213 1HD2 ASN 52 1HD2 ASN 52 -10.087 -4.761 1.943 214 2HD2 ASN 52 2HD2 ASN 52 -11.244 -4.775 3.260 215 H THR 53 H THR 53 -12.412 -7.471 -2.138 216 HA THR 53 HA THR 53 -10.457 -8.387 -3.929 217 HB THR 53 HB THR 53 -13.403 -8.520 -4.523 218 HG1 THR 53 1HG THR 53 -13.730 -9.919 -2.828 219 1HG2 THR 53 1HG2 THR 53 -11.616 -9.823 -5.784 220 2HG2 THR 53 2HG2 THR 53 -11.229 -10.657 -4.258 221 3HG2 THR 53 3HG2 THR 53 -12.827 -10.841 -4.991 222 H GLY 54 H GLY 54 -9.537 -7.369 -5.629 223 1HA GLY 54 1HA GLY 54 -11.022 -5.264 -7.099 224 2HA GLY 54 2HA GLY 54 -9.452 -4.904 -6.373 225 H ASP 55 H ASP 55 -7.838 -4.980 -7.855 226 HA ASP 55 HA ASP 55 -7.619 -7.443 -9.361 227 1HB ASP 55 1HB ASP 55 -7.826 -6.737 -11.388 228 2HB ASP 55 2HB ASP 55 -8.796 -5.453 -10.770 229 HD2 ASP 55 HD ASP 55 -6.320 -3.137 -11.782 230 H SER 56 H SER 56 -5.708 -8.141 -9.475 231 HA SER 56 HA SER 56 -3.498 -6.646 -9.969 232 1HB SER 56 1HB SER 56 -3.743 -7.862 -7.175 233 2HB SER 56 2HB SER 56 -2.141 -7.777 -7.934 234 HG SER 56 HG SER 56 -2.583 -6.045 -6.546 235 H GLU 57 H GLU 57 -1.552 -8.652 -9.728 236 HA GLU 57 HA GLU 57 -2.175 -10.669 -11.519 237 1HB GLU 57 1HB GLU 57 -0.261 -10.928 -9.184 238 2HB GLU 57 2HB GLU 57 -0.265 -11.863 -10.709 239 1HG GLU 57 1HG GLU 57 1.332 -10.357 -11.279 240 2HG GLU 57 2HG GLU 57 -0.049 -9.373 -11.750 241 HE2 GLU 57 HE GLU 57 0.424 -7.327 -8.831 242 H GLN 58 H GLN 58 -2.366 -10.806 -7.901 243 HA GLN 58 HA GLN 58 -3.600 -13.460 -8.025 244 1HB GLN 58 1HB GLN 58 -3.592 -12.610 -5.384 245 2HB GLN 58 2HB GLN 58 -2.558 -13.810 -6.203 246 1HG GLN 58 1HG GLN 58 -1.034 -12.424 -5.150 247 2HG GLN 58 2HG GLN 58 -1.012 -11.784 -6.781 248 1HE2 GLN 58 1HE2 GLN 58 -1.386 -11.072 -3.521 249 2HE2 GLN 58 2HE2 GLN 58 -2.042 -9.419 -3.655 250 H GLY 59 H GLY 59 -4.676 -10.196 -7.601 251 1HA GLY 59 1HA GLY 59 -6.884 -9.835 -8.518 252 2HA GLY 59 2HA GLY 59 -7.478 -11.239 -7.667 253 H ILE 60 H ILE 60 -5.440 -9.598 -5.510 254 HA ILE 60 HA ILE 60 -7.816 -8.445 -4.123 255 HB ILE 60 HB ILE 60 -6.779 -9.480 -2.068 256 1HG1 ILE 60 1HG1 ILE 60 -5.092 -11.117 -3.986 257 2HG1 ILE 60 2HG1 ILE 60 -4.482 -9.842 -2.894 258 1HG2 ILE 60 1HG2 ILE 60 -8.670 -10.514 -3.662 259 2HG2 ILE 60 2HG2 ILE 60 -7.409 -11.632 -4.157 260 3HG2 ILE 60 3HG2 ILE 60 -7.940 -11.563 -2.460 261 1HD1 ILE 60 1HD1 ILE 60 -5.854 -12.425 -2.047 262 2HD1 ILE 60 2HD1 ILE 60 -4.163 -11.919 -1.745 263 3HD1 ILE 60 3HD1 ILE 60 -5.495 -11.072 -0.986 264 H VAL 61 H VAL 61 -7.536 -6.519 -2.944 265 HA VAL 61 HA VAL 61 -4.786 -5.452 -3.014 266 HB VAL 61 HB VAL 61 -5.634 -3.299 -3.699 267 1HG1 VAL 61 1HG1 VAL 61 -6.614 -5.480 -5.604 268 2HG1 VAL 61 2HG1 VAL 61 -6.133 -3.825 -6.023 269 3HG1 VAL 61 3HG1 VAL 61 -4.927 -4.967 -5.417 270 1HG2 VAL 61 1HG2 VAL 61 -7.928 -2.988 -4.557 271 2HG2 VAL 61 2HG2 VAL 61 -8.381 -4.613 -4.006 272 3HG2 VAL 61 3HG2 VAL 61 -7.952 -3.345 -2.834 273 HA PRO 62 HA PRO 62 -5.273 -4.799 1.297 274 1HB PRO 62 1HB PRO 62 -3.218 -3.133 1.820 275 2HB PRO 62 2HB PRO 62 -2.990 -4.826 1.289 276 1HG PRO 62 1HG PRO 62 -2.913 -2.317 -0.398 277 2HG PRO 62 2HG PRO 62 -1.720 -3.657 -0.357 278 1HD PRO 62 1HD PRO 62 -3.689 -3.498 -2.244 279 2HD PRO 62 2HD PRO 62 -3.168 -5.069 -1.588 280 H CYS 63 H CYS 63 -6.018 -3.430 2.863 281 HA CYS 63 HA CYS 63 -7.373 -0.960 2.143 282 1HB CYS 63 1HB CYS 63 -8.381 -2.626 3.619 283 2HB CYS 63 2HB CYS 63 -7.051 -2.432 4.779 284 HG CYS 63 HG CYS 63 -9.206 -1.351 5.746 285 H LEU 64 H LEU 64 -5.314 0.046 1.471 286 HA LEU 64 HA LEU 64 -3.469 0.902 3.627 287 1HB LEU 64 1HB LEU 64 -3.676 1.739 0.709 288 2HB LEU 64 2HB LEU 64 -2.436 2.267 1.869 289 HG LEU 64 HG LEU 64 -2.864 -0.679 1.454 290 1HD1 LEU 64 1HD1 LEU 64 -1.241 1.029 -0.494 291 2HD1 LEU 64 2HD1 LEU 64 -1.313 -0.728 -0.497 292 3HD1 LEU 64 3HD1 LEU 64 -2.757 0.182 -0.875 293 1HD2 LEU 64 1HD2 LEU 64 -0.346 0.955 1.943 294 2HD2 LEU 64 2HD2 LEU 64 -1.278 0.082 3.174 295 3HD2 LEU 64 3HD2 LEU 64 -0.459 -0.817 1.888 296 H THR 65 H THR 65 -3.962 2.684 4.875 297 HA THR 65 HA THR 65 -6.352 4.253 4.201 298 HB THR 65 HB THR 65 -6.514 4.748 6.496 299 HG1 THR 65 1HG THR 65 -4.999 4.534 7.913 300 1HG2 THR 65 1HG2 THR 65 -6.283 2.477 7.690 301 2HG2 THR 65 2HG2 THR 65 -7.288 2.451 6.244 302 3HG2 THR 65 3HG2 THR 65 -5.659 1.801 6.181 303 H ARG 66 H ARG 66 -6.109 6.719 4.984 304 HA ARG 66 HA ARG 66 -3.845 7.923 3.695 305 1HB ARG 66 1HB ARG 66 -6.038 8.800 5.499 306 2HB ARG 66 2HB ARG 66 -4.544 9.735 5.625 307 1HG ARG 66 1HG ARG 66 -5.100 9.334 2.847 308 2HG ARG 66 2HG ARG 66 -6.613 9.835 3.617 309 1HD ARG 66 1HD ARG 66 -4.055 11.326 4.215 310 2HD ARG 66 2HD ARG 66 -4.893 11.620 2.682 311 HE ARG 66 HE ARG 66 -6.868 12.300 4.014 312 1HH1 ARG 66 2HH2 ARG 66 -3.969 11.785 6.121 313 2HH1 ARG 66 1HH2 ARG 66 -4.671 12.691 7.384 314 1HH2 ARG 66 2HH1 ARG 66 -7.651 13.593 5.777 315 2HH2 ARG 66 1HH1 ARG 66 -6.669 13.742 7.181 316 H ALA 67 H ALA 67 -4.397 7.094 7.116 317 HA ALA 67 HA ALA 67 -1.894 8.036 7.985 318 1HB ALA 67 1HB ALA 67 -3.392 7.490 9.736 319 2HB ALA 67 2HB ALA 67 -3.651 5.827 9.136 320 3HB ALA 67 3HB ALA 67 -2.102 6.315 9.855 321 H GLN 68 H GLN 68 -2.712 4.646 6.938 322 HA GLN 68 HA GLN 68 -0.219 3.465 7.371 323 1HB GLN 68 1HB GLN 68 -2.142 3.076 5.054 324 2HB GLN 68 2HB GLN 68 -0.776 2.013 5.453 325 1HG GLN 68 1HG GLN 68 -2.339 2.229 7.816 326 2HG GLN 68 2HG GLN 68 -3.473 1.997 6.466 327 1HE2 GLN 68 1HE2 GLN 68 -3.769 -0.169 5.608 328 2HE2 GLN 68 2HE2 GLN 68 -2.559 -1.376 5.925 329 H LEU 69 H LEU 69 -1.370 5.206 4.468 330 HA LEU 69 HA LEU 69 1.105 4.915 3.084 331 1HB LEU 69 1HB LEU 69 -1.221 6.831 2.674 332 2HB LEU 69 2HB LEU 69 0.086 6.533 1.506 333 HG LEU 69 HG LEU 69 -1.649 4.328 2.582 334 1HD1 LEU 69 1HD1 LEU 69 -2.881 4.465 0.389 335 2HD1 LEU 69 2HD1 LEU 69 -3.143 5.837 1.453 336 3HD1 LEU 69 3HD1 LEU 69 -2.041 6.015 0.068 337 1HD2 LEU 69 1HD2 LEU 69 0.238 4.466 0.215 338 2HD2 LEU 69 2HD2 LEU 69 0.347 3.481 1.695 339 3HD2 LEU 69 3HD2 LEU 69 -0.903 3.136 0.553 340 H ALA 70 H ALA 70 -0.237 7.758 4.879 341 HA ALA 70 HA ALA 70 2.044 9.412 4.335 342 1HB ALA 70 1HB ALA 70 -0.135 10.300 5.089 343 2HB ALA 70 2HB ALA 70 0.063 9.482 6.653 344 3HB ALA 70 3HB ALA 70 1.173 10.784 6.185 345 H SER 71 H SER 71 1.533 6.706 6.525 346 HA SER 71 HA SER 71 3.680 7.352 8.399 347 1HB SER 71 1HB SER 71 1.730 5.924 8.915 348 2HB SER 71 2HB SER 71 2.311 4.726 7.744 349 HG SER 71 HG SER 71 4.026 5.443 9.854 350 H MET 72 H MET 72 3.633 6.380 5.129 351 HA MET 72 HA MET 72 6.406 5.349 5.241 352 1HB MET 72 1HB MET 72 4.940 5.587 2.682 353 2HB MET 72 2HB MET 72 6.088 4.366 3.216 354 1HG MET 72 1HG MET 72 3.869 3.900 4.826 355 2HG MET 72 2HG MET 72 3.188 4.519 3.285 356 1HE MET 72 1HE MET 72 2.386 1.153 2.092 357 2HE MET 72 2HE MET 72 1.860 2.308 3.357 358 3HE MET 72 3HE MET 72 2.344 2.906 1.737 359 H GLY 73 H GLY 73 4.681 8.261 4.977 360 1HA GLY 73 1HA GLY 73 5.487 10.354 4.474 361 2HA GLY 73 2HA GLY 73 6.865 9.674 3.615 362 H LEU 74 H LEU 74 3.847 8.175 2.694 363 HA LEU 74 HA LEU 74 3.954 8.996 0.028 364 1HB LEU 74 1HB LEU 74 2.656 7.153 0.475 365 2HB LEU 74 2HB LEU 74 1.711 8.030 1.703 366 HG LEU 74 HG LEU 74 0.581 7.357 -0.430 367 1HD1 LEU 74 1HD1 LEU 74 0.203 10.232 0.249 368 2HD1 LEU 74 2HD1 LEU 74 -0.997 9.048 -0.285 369 3HD1 LEU 74 3HD1 LEU 74 -0.269 8.929 1.337 370 1HD2 LEU 74 1HD2 LEU 74 0.538 8.523 -2.367 371 2HD2 LEU 74 2HD2 LEU 74 1.500 9.858 -1.744 372 3HD2 LEU 74 3HD2 LEU 74 2.257 8.278 -2.039 373 H ASN 75 H ASN 75 3.245 10.741 -0.950 374 HA ASN 75 HA ASN 75 2.640 13.121 0.728 375 1HB ASN 75 1HB ASN 75 4.538 12.954 -1.116 376 2HB ASN 75 2HB ASN 75 3.260 13.371 -2.239 377 1HD2 ASN 75 1HD2 ASN 75 2.921 15.685 -2.455 378 2HD2 ASN 75 2HD2 ASN 75 3.295 16.775 -1.105 379 H THR 76 H THR 76 0.360 12.691 1.132 380 HA THR 76 HA THR 76 -1.460 12.084 -0.881 381 HB THR 76 HB THR 76 -3.119 12.961 0.879 382 HG1 THR 76 1HG THR 76 -1.402 13.355 2.884 383 1HG2 THR 76 1HG2 THR 76 -0.836 11.322 2.101 384 2HG2 THR 76 2HG2 THR 76 -2.470 11.430 2.721 385 3HG2 THR 76 3HG2 THR 76 -2.193 10.684 1.146 386 H ALA 77 H ALA 77 -0.068 15.250 -0.077 387 HA ALA 77 HA ALA 77 -2.025 16.795 -1.454 388 1HB ALA 77 1HB ALA 77 0.914 17.401 -0.979 389 2HB ALA 77 2HB ALA 77 -0.364 18.575 -1.345 390 3HB ALA 77 3HB ALA 77 -0.393 17.698 0.194 391 H SER 78 H SER 78 0.519 14.693 -2.740 392 HA SER 78 HA SER 78 0.714 16.190 -5.242 393 1HB SER 78 1HB SER 78 1.713 13.445 -4.431 394 2HB SER 78 2HB SER 78 2.117 14.299 -5.941 395 HG SER 78 HG SER 78 3.752 14.571 -4.618 396 H VAL 79 H VAL 79 -1.849 14.228 -4.008 397 HA VAL 79 HA VAL 79 -2.583 13.583 -6.771 398 HB VAL 79 HB VAL 79 -1.648 11.731 -6.056 399 1HG1 VAL 79 1HG1 VAL 79 -1.662 10.534 -3.982 400 2HG1 VAL 79 2HG1 VAL 79 -0.777 12.028 -4.021 401 3HG1 VAL 79 3HG1 VAL 79 -2.381 11.981 -3.213 402 1HG2 VAL 79 1HG2 VAL 79 -3.309 10.005 -5.620 403 2HG2 VAL 79 2HG2 VAL 79 -4.475 11.250 -5.088 404 3HG2 VAL 79 3HG2 VAL 79 -3.910 11.200 -6.779 405 H ALA 80 H ALA 80 -4.622 13.700 -7.281 406 HA ALA 80 HA ALA 80 -6.155 15.697 -6.480 407 1HB ALA 80 1HB ALA 80 -6.423 14.574 -8.594 408 2HB ALA 80 2HB ALA 80 -6.995 13.096 -7.817 409 3HB ALA 80 3HB ALA 80 -7.994 14.555 -7.774 410 H GLY 81 H GLY 81 -8.093 12.771 -6.118 411 1HA GLY 81 1HA GLY 81 -9.369 13.853 -3.792 412 2HA GLY 81 2HA GLY 81 -9.705 12.319 -4.599 413 H MET 82 H MET 82 -6.699 13.508 -2.985 414 HA MET 82 HA MET 82 -6.887 11.119 -1.208 415 1HB MET 82 1HB MET 82 -4.987 11.176 -2.863 416 2HB MET 82 2HB MET 82 -4.346 12.546 -1.934 417 1HG MET 82 1HG MET 82 -3.320 10.901 -0.750 418 2HG MET 82 2HG MET 82 -4.845 10.813 0.120 419 1HE MET 82 1HE MET 82 -3.640 9.542 -3.391 420 2HE MET 82 2HE MET 82 -2.364 9.031 -2.262 421 3HE MET 82 3HE MET 82 -3.404 7.815 -3.058 422 H ASN 83 H ASN 83 -5.708 14.566 -1.158 423 HA ASN 83 HA ASN 83 -4.910 14.397 1.534 424 1HB ASN 83 1HB ASN 83 -4.866 16.833 1.569 425 2HB ASN 83 2HB ASN 83 -4.222 16.257 0.035 426 1HD2 ASN 83 1HD2 ASN 83 -5.038 17.335 -1.780 427 2HD2 ASN 83 2HD2 ASN 83 -6.630 18.008 -1.885 428 H LEU 84 H LEU 84 -8.026 14.341 0.382 429 HA LEU 84 HA LEU 84 -9.372 15.417 2.712 430 1HB LEU 84 1HB LEU 84 -11.418 14.752 1.296 431 2HB LEU 84 2HB LEU 84 -10.516 16.247 1.029 432 HG LEU 84 HG LEU 84 -11.255 15.026 -1.007 433 1HD1 LEU 84 1HD1 LEU 84 -9.145 16.541 -0.614 434 2HD1 LEU 84 2HD1 LEU 84 -8.292 15.135 -1.222 435 3HD1 LEU 84 3HD1 LEU 84 -9.553 15.874 -2.217 436 1HD2 LEU 84 1HD2 LEU 84 -10.300 13.017 -1.755 437 2HD2 LEU 84 2HD2 LEU 84 -9.030 12.973 -0.524 438 3HD2 LEU 84 3HD2 LEU 84 -10.732 12.681 -0.097 439 H LEU 85 H LEU 85 -8.099 12.316 1.841 440 HA LEU 85 HA LEU 85 -10.534 10.794 2.209 441 1HB LEU 85 1HB LEU 85 -7.659 10.238 1.603 442 2HB LEU 85 2HB LEU 85 -8.544 8.899 2.359 443 HG LEU 85 HG LEU 85 -9.566 10.363 -0.090 444 1HD1 LEU 85 1HD1 LEU 85 -8.559 8.773 -1.509 445 2HD1 LEU 85 2HD1 LEU 85 -7.265 9.217 -0.382 446 3HD1 LEU 85 3HD1 LEU 85 -8.149 7.692 -0.177 447 1HD2 LEU 85 1HD2 LEU 85 -10.199 7.639 1.163 448 2HD2 LEU 85 2HD2 LEU 85 -11.289 9.046 1.096 449 3HD2 LEU 85 3HD2 LEU 85 -10.827 8.207 -0.390 450 H ALA 86 H ALA 86 -10.717 8.956 3.745 451 HA ALA 86 HA ALA 86 -10.353 9.893 6.453 452 1HB ALA 86 1HB ALA 86 -11.389 7.828 7.124 453 2HB ALA 86 2HB ALA 86 -12.321 8.530 5.787 454 3HB ALA 86 3HB ALA 86 -11.248 7.138 5.513 455 H ASP 87 H ASP 87 -9.155 8.964 8.056 456 HA ASP 87 HA ASP 87 -6.498 8.057 7.277 457 1HB ASP 87 1HB ASP 87 -7.450 9.829 9.052 458 2HB ASP 87 2HB ASP 87 -7.417 8.408 10.098 459 HD2 ASP 87 HD ASP 87 -3.850 9.530 8.625 460 H ASP 88 H ASP 88 -9.358 6.511 7.954 461 HA ASP 88 HA ASP 88 -7.957 3.913 8.198 462 1HB ASP 88 1HB ASP 88 -10.406 4.960 9.622 463 2HB ASP 88 2HB ASP 88 -10.163 3.221 9.358 464 HD2 ASP 88 HD ASP 88 -8.493 4.620 12.490 465 H ALA 89 H ALA 89 -8.603 5.508 5.796 466 HA ALA 89 HA ALA 89 -11.034 4.468 4.585 467 1HB ALA 89 1HB ALA 89 -10.078 6.610 3.798 468 2HB ALA 89 2HB ALA 89 -8.575 5.806 3.368 469 3HB ALA 89 3HB ALA 89 -10.070 5.440 2.482 470 H CYS 90 H CYS 90 -11.066 3.122 2.618 471 HA CYS 90 HA CYS 90 -8.651 1.376 2.202 472 1HB CYS 90 1HB CYS 90 -11.442 1.301 0.990 473 2HB CYS 90 2HB CYS 90 -10.078 0.265 0.495 474 HG CYS 90 HG CYS 90 -11.842 -1.166 1.757 475 H VAL 91 H VAL 91 -7.402 3.288 1.555 476 HA VAL 91 HA VAL 91 -8.240 5.142 -0.454 477 HB VAL 91 HB VAL 91 -5.452 4.177 0.327 478 1HG1 VAL 91 1HG1 VAL 91 -5.346 5.266 -1.843 479 2HG1 VAL 91 2HG1 VAL 91 -6.239 6.662 -1.211 480 3HG1 VAL 91 3HG1 VAL 91 -4.608 6.253 -0.601 481 1HG2 VAL 91 1HG2 VAL 91 -5.339 6.243 1.701 482 2HG2 VAL 91 2HG2 VAL 91 -7.015 6.626 1.290 483 3HG2 VAL 91 3HG2 VAL 91 -6.647 5.194 2.245 484 HA PRO 92 HA PRO 92 -7.557 2.261 -3.958 485 1HB PRO 92 1HB PRO 92 -8.042 3.889 -6.038 486 2HB PRO 92 2HB PRO 92 -9.327 3.385 -4.909 487 1HG PRO 92 1HG PRO 92 -7.688 5.947 -4.832 488 2HG PRO 92 2HG PRO 92 -9.472 5.794 -4.856 489 1HD PRO 92 1HD PRO 92 -8.027 6.069 -2.526 490 2HD PRO 92 2HD PRO 92 -9.515 5.081 -2.606 491 H LEU 93 H LEU 93 -5.327 2.503 -2.869 492 HA LEU 93 HA LEU 93 -3.585 4.609 -3.581 493 1HB LEU 93 1HB LEU 93 -3.281 3.104 -1.652 494 2HB LEU 93 2HB LEU 93 -2.912 1.753 -2.727 495 HG LEU 93 HG LEU 93 -1.018 3.023 -1.534 496 1HD1 LEU 93 1HD1 LEU 93 -0.595 1.305 -3.163 497 2HD1 LEU 93 2HD1 LEU 93 -0.668 2.502 -4.475 498 3HD1 LEU 93 3HD1 LEU 93 0.599 2.609 -3.228 499 1HD2 LEU 93 1HD2 LEU 93 -1.772 5.316 -2.211 500 2HD2 LEU 93 2HD2 LEU 93 -0.067 4.957 -2.525 501 3HD2 LEU 93 3HD2 LEU 93 -1.202 4.931 -3.856 502 H THR 94 H THR 94 -4.115 1.388 -5.079 503 HA THR 94 HA THR 94 -1.948 1.832 -6.972 504 HB THR 94 HB THR 94 -2.901 -0.371 -7.913 505 HG1 THR 94 1HG THR 94 -4.273 -1.462 -6.689 506 1HG2 THR 94 1HG2 THR 94 -1.857 -1.657 -6.149 507 2HG2 THR 94 2HG2 THR 94 -0.953 -0.140 -6.360 508 3HG2 THR 94 3HG2 THR 94 -2.040 -0.321 -4.980 509 H THR 95 H THR 95 -4.981 3.264 -6.940 510 HA THR 95 HA THR 95 -5.123 3.220 -9.924 511 HB THR 95 HB THR 95 -7.343 3.848 -7.978 512 HG1 THR 95 1HG THR 95 -6.547 1.455 -9.245 513 1HG2 THR 95 1HG2 THR 95 -7.653 4.800 -10.230 514 2HG2 THR 95 2HG2 THR 95 -7.388 3.197 -10.955 515 3HG2 THR 95 3HG2 THR 95 -8.795 3.498 -9.902 516 H MET 96 H MET 96 -5.860 5.432 -7.098 517 HA MET 96 HA MET 96 -5.728 7.744 -8.747 518 1HB MET 96 1HB MET 96 -5.513 7.228 -5.787 519 2HB MET 96 2HB MET 96 -5.033 8.826 -6.452 520 1HG MET 96 1HG MET 96 -7.293 8.772 -7.656 521 2HG MET 96 2HG MET 96 -7.739 7.552 -6.472 522 1HE MET 96 1HE MET 96 -6.891 8.143 -3.772 523 2HE MET 96 2HE MET 96 -5.549 9.244 -4.191 524 3HE MET 96 3HE MET 96 -6.860 9.811 -3.160 525 H VAL 97 H VAL 97 -3.193 5.826 -7.193 526 HA VAL 97 HA VAL 97 -1.156 7.709 -8.213 527 HB VAL 97 HB VAL 97 -0.714 5.423 -6.261 528 1HG1 VAL 97 1HG1 VAL 97 0.974 7.751 -7.177 529 2HG1 VAL 97 2HG1 VAL 97 1.335 6.746 -5.748 530 3HG1 VAL 97 3HG1 VAL 97 1.257 6.037 -7.371 531 1HG2 VAL 97 1HG2 VAL 97 -0.598 7.317 -4.517 532 2HG2 VAL 97 2HG2 VAL 97 -1.508 8.310 -5.666 533 3HG2 VAL 97 3HG2 VAL 97 -2.209 6.824 -5.047 534 H GLN 98 H GLN 98 -0.941 7.232 -10.263 535 HA GLN 98 HA GLN 98 -0.931 4.550 -11.411 536 1HB GLN 98 1HB GLN 98 -1.242 6.975 -12.514 537 2HB GLN 98 2HB GLN 98 0.528 6.928 -12.587 538 1HG GLN 98 1HG GLN 98 0.367 4.739 -13.803 539 2HG GLN 98 2HG GLN 98 -1.405 4.886 -13.780 540 1HE2 GLN 98 1HE2 GLN 98 1.159 5.219 -15.801 541 2HE2 GLN 98 2HE2 GLN 98 0.607 6.550 -16.803 542 H ASP 99 H ASP 99 1.170 3.647 -12.230 543 HA ASP 99 HA ASP 99 3.288 2.953 -12.082 544 1HB ASP 99 1HB ASP 99 3.868 5.391 -12.112 545 2HB ASP 99 2HB ASP 99 3.971 5.339 -10.349 546 HD2 ASP 99 HD ASP 99 7.123 3.932 -10.452 547 H ALA 100 H ALA 100 1.581 3.734 -9.178 548 HA ALA 100 HA ALA 100 3.149 2.153 -7.371 549 1HB ALA 100 1HB ALA 100 1.654 3.961 -6.581 550 2HB ALA 100 2HB ALA 100 0.241 3.107 -7.240 551 3HB ALA 100 3HB ALA 100 1.136 2.419 -5.893 552 H THR 101 H THR 101 2.411 0.286 -6.295 553 HA THR 101 HA THR 101 0.418 -1.481 -7.531 554 HB THR 101 HB THR 101 2.042 -3.416 -7.691 555 HG1 THR 101 1HG THR 101 4.226 -2.540 -8.285 556 1HG2 THR 101 1HG2 THR 101 2.731 -2.960 -9.936 557 2HG2 THR 101 2HG2 THR 101 1.155 -2.215 -9.696 558 3HG2 THR 101 3HG2 THR 101 2.623 -1.206 -9.698 559 H ALA 102 H ALA 102 -0.128 -3.324 -6.153 560 HA ALA 102 HA ALA 102 1.168 -3.544 -3.526 561 1HB ALA 102 1HB ALA 102 -0.903 -2.211 -3.238 562 2HB ALA 102 2HB ALA 102 -1.838 -3.460 -4.082 563 3HB ALA 102 3HB ALA 102 -1.061 -3.833 -2.530 564 H HIS 103 H HIS 103 2.209 -5.407 -3.946 565 HA HIS 103 HA HIS 103 0.792 -7.817 -5.042 566 1HB HIS 103 1HB HIS 103 2.259 -7.096 -6.677 567 2HB HIS 103 2HB HIS 103 3.477 -6.521 -5.527 568 HD1 HIS 103 1HD HIS 103 5.068 -7.845 -7.333 569 HD2 HIS 103 2HD HIS 103 2.675 -10.154 -4.733 570 HE1 HIS 103 1HE HIS 103 6.079 -10.165 -7.274 571 HE2 HIS 103 2HE HIS 103 4.642 -11.599 -5.675 572 H LEU 104 H LEU 104 0.339 -8.946 -3.208 573 HA LEU 104 HA LEU 104 2.034 -8.929 -0.811 574 1HB LEU 104 1HB LEU 104 -0.224 -8.804 -0.526 575 2HB LEU 104 2HB LEU 104 -0.606 -10.146 -1.564 576 HG LEU 104 HG LEU 104 -0.542 -10.164 1.063 577 1HD1 LEU 104 1HD1 LEU 104 0.039 -12.652 -0.482 578 2HD1 LEU 104 2HD1 LEU 104 -0.805 -12.519 1.079 579 3HD1 LEU 104 3HD1 LEU 104 -1.550 -11.867 -0.382 580 1HD2 LEU 104 1HD2 LEU 104 1.105 -11.345 2.122 581 2HD2 LEU 104 2HD2 LEU 104 2.121 -11.357 0.689 582 3HD2 LEU 104 3HD2 LEU 104 1.724 -9.810 1.456 583 H ASP 105 H ASP 105 3.983 -9.987 -1.082 584 HA ASP 105 HA ASP 105 4.251 -12.657 -2.316 585 1HB ASP 105 1HB ASP 105 6.109 -10.885 -2.328 586 2HB ASP 105 2HB ASP 105 6.248 -11.157 -0.582 587 HD2 ASP 105 HD ASP 105 8.510 -13.456 -2.417 588 H VAL 106 H VAL 106 2.440 -13.514 -0.831 589 HA VAL 106 HA VAL 106 2.692 -13.595 1.908 590 HB VAL 106 HB VAL 106 0.862 -14.443 0.315 591 1HG1 VAL 106 1HG1 VAL 106 0.633 -16.756 -0.133 592 2HG1 VAL 106 2HG1 VAL 106 2.149 -16.192 -0.858 593 3HG1 VAL 106 3HG1 VAL 106 2.175 -17.134 0.655 594 1HG2 VAL 106 1HG2 VAL 106 0.669 -14.337 2.729 595 2HG2 VAL 106 2HG2 VAL 106 -0.140 -15.769 2.078 596 3HG2 VAL 106 3HG2 VAL 106 1.449 -15.920 2.881 597 H GLY 107 H GLY 107 4.729 -15.261 -0.418 598 1HA GLY 107 1HA GLY 107 5.481 -17.424 1.251 599 2HA GLY 107 2HA GLY 107 6.342 -16.860 -0.200 600 H GLN 108 H GLN 108 6.985 -14.275 0.422 601 HA GLN 108 HA GLN 108 9.082 -14.609 2.444 602 1HB GLN 108 1HB GLN 108 9.147 -13.424 0.097 603 2HB GLN 108 2HB GLN 108 8.466 -12.031 0.944 604 1HG GLN 108 1HG GLN 108 10.836 -11.725 0.906 605 2HG GLN 108 2HG GLN 108 10.462 -12.221 2.558 606 1HE2 GLN 108 1HE2 GLN 108 11.648 -13.333 -0.571 607 2HE2 GLN 108 2HE2 GLN 108 12.241 -14.883 -0.020 608 H GLN 109 H GLN 109 5.901 -13.752 2.638 609 HA GLN 109 HA GLN 109 4.589 -12.412 3.759 610 1HB GLN 109 1HB GLN 109 6.688 -12.476 5.962 611 2HB GLN 109 2HB GLN 109 5.021 -11.861 6.130 612 1HG GLN 109 1HG GLN 109 4.294 -14.194 5.284 613 2HG GLN 109 2HG GLN 109 5.939 -14.714 5.678 614 1HE2 GLN 109 1HE2 GLN 109 3.054 -13.002 7.198 615 2HE2 GLN 109 2HE2 GLN 109 3.180 -13.852 8.698 616 H ARG 110 H ARG 110 5.967 -11.217 1.752 617 HA ARG 110 HA ARG 110 6.680 -8.515 2.815 618 1HB ARG 110 1HB ARG 110 8.556 -9.603 1.648 619 2HB ARG 110 2HB ARG 110 7.554 -9.675 0.184 620 1HG ARG 110 1HG ARG 110 7.207 -7.132 0.548 621 2HG ARG 110 2HG ARG 110 8.588 -7.223 1.631 622 1HD ARG 110 1HD ARG 110 9.076 -8.561 -0.951 623 2HD ARG 110 2HD ARG 110 8.581 -6.853 -1.116 624 HE ARG 110 HE ARG 110 10.721 -7.441 0.795 625 1HH1 ARG 110 2HH2 ARG 110 9.962 -6.536 -2.624 626 2HH1 ARG 110 1HH2 ARG 110 11.542 -5.851 -2.863 627 1HH2 ARG 110 2HH1 ARG 110 12.801 -6.547 0.285 628 2HH2 ARG 110 1HH1 ARG 110 13.098 -5.806 -1.248 629 H LEU 111 H LEU 111 5.068 -7.043 2.507 630 HA LEU 111 HA LEU 111 3.249 -7.424 0.204 631 1HB LEU 111 1HB LEU 111 2.076 -6.669 2.128 632 2HB LEU 111 2HB LEU 111 3.250 -5.388 2.439 633 HG LEU 111 HG LEU 111 2.516 -4.187 0.445 634 1HD1 LEU 111 1HD1 LEU 111 0.524 -5.000 -0.874 635 2HD1 LEU 111 2HD1 LEU 111 1.951 -6.000 -1.108 636 3HD1 LEU 111 3HD1 LEU 111 0.645 -6.562 -0.037 637 1HD2 LEU 111 1HD2 LEU 111 0.125 -5.180 2.061 638 2HD2 LEU 111 2HD2 LEU 111 1.261 -3.918 2.570 639 3HD2 LEU 111 3HD2 LEU 111 0.233 -3.646 1.160 640 H ASN 112 H ASN 112 4.529 -7.103 -1.577 641 HA ASN 112 HA ASN 112 6.563 -4.997 -1.765 642 1HB ASN 112 1HB ASN 112 5.148 -6.734 -3.823 643 2HB ASN 112 2HB ASN 112 6.233 -5.372 -4.242 644 1HD2 ASN 112 1HD2 ASN 112 6.094 -8.678 -3.125 645 2HD2 ASN 112 2HD2 ASN 112 7.783 -8.958 -3.468 646 H LEU 113 H LEU 113 5.955 -2.963 -1.724 647 HA LEU 113 HA LEU 113 3.399 -2.089 -2.917 648 1HB LEU 113 1HB LEU 113 4.055 -2.267 -0.217 649 2HB LEU 113 2HB LEU 113 4.530 -0.614 -0.560 650 HG LEU 113 HG LEU 113 2.249 -0.999 0.426 651 1HD1 LEU 113 1HD1 LEU 113 2.772 1.097 -0.543 652 2HD1 LEU 113 2HD1 LEU 113 2.433 0.513 -2.192 653 3HD1 LEU 113 3HD1 LEU 113 1.114 0.682 -1.007 654 1HD2 LEU 113 1HD2 LEU 113 1.803 -2.966 -1.292 655 2HD2 LEU 113 2HD2 LEU 113 0.484 -1.952 -0.686 656 3HD2 LEU 113 3HD2 LEU 113 1.183 -1.649 -2.289 657 H THR 114 H THR 114 3.741 -0.251 -4.266 658 HA THR 114 HA THR 114 6.419 1.067 -4.191 659 HB THR 114 HB THR 114 5.054 -0.057 -6.690 660 HG1 THR 114 1HG THR 114 7.482 -1.055 -5.600 661 1HG2 THR 114 1HG2 THR 114 7.236 0.421 -7.800 662 2HG2 THR 114 2HG2 THR 114 6.413 1.880 -7.228 663 3HG2 THR 114 3HG2 THR 114 7.793 1.228 -6.313 664 H ILE 115 H ILE 115 6.362 3.159 -5.102 665 HA ILE 115 HA ILE 115 3.927 4.408 -6.006 666 HB ILE 115 HB ILE 115 5.201 4.942 -3.286 667 1HG1 ILE 115 1HG1 ILE 115 2.314 4.689 -4.237 668 2HG1 ILE 115 2HG1 ILE 115 3.213 3.502 -3.256 669 1HG2 ILE 115 1HG2 ILE 115 4.077 7.111 -3.123 670 2HG2 ILE 115 2HG2 ILE 115 5.255 7.078 -4.391 671 3HG2 ILE 115 3HG2 ILE 115 3.520 6.951 -4.794 672 1HD1 ILE 115 1HD1 ILE 115 3.463 5.425 -1.537 673 2HD1 ILE 115 2HD1 ILE 115 2.102 6.136 -2.439 674 3HD1 ILE 115 3HD1 ILE 115 1.929 4.528 -1.675 675 HA PRO 116 HA PRO 116 7.324 6.497 -8.093 676 1HB PRO 116 1HB PRO 116 5.933 8.586 -9.170 677 2HB PRO 116 2HB PRO 116 5.822 6.937 -9.822 678 1HG PRO 116 1HG PRO 116 3.937 8.339 -7.922 679 2HG PRO 116 2HG PRO 116 3.518 7.378 -9.373 680 1HD PRO 116 1HD PRO 116 3.456 6.376 -6.818 681 2HD PRO 116 2HD PRO 116 3.895 5.324 -8.170 682 H GLN 117 H GLN 117 8.648 8.260 -7.631 683 HA GLN 117 HA GLN 117 8.522 9.286 -4.960 684 1HB GLN 117 1HB GLN 117 10.282 9.929 -7.338 685 2HB GLN 117 2HB GLN 117 10.477 10.754 -5.773 686 1HG GLN 117 1HG GLN 117 10.683 7.756 -6.220 687 2HG GLN 117 2HG GLN 117 12.050 8.880 -6.017 688 1HE2 GLN 117 1HE2 GLN 117 10.566 6.508 -4.354 689 2HE2 GLN 117 2HE2 GLN 117 10.650 7.183 -2.739 690 H ALA 118 H ALA 118 7.105 10.607 -7.881 691 HA ALA 118 HA ALA 118 6.866 13.327 -7.025 692 1HB ALA 118 1HB ALA 118 5.093 11.547 -8.735 693 2HB ALA 118 2HB ALA 118 4.802 13.281 -8.475 694 3HB ALA 118 3HB ALA 118 6.279 12.733 -9.285 695 H PHE 119 H PHE 119 5.189 10.315 -5.861 696 HA PHE 119 HA PHE 119 3.328 12.007 -4.293 697 1HB PHE 119 1HB PHE 119 3.349 9.099 -5.151 698 2HB PHE 119 2HB PHE 119 2.136 9.832 -4.099 699 HD1 PHE 119 1HD PHE 119 3.520 10.728 -7.565 700 HD2 PHE 119 2HD PHE 119 0.109 9.775 -5.126 701 HE1 PHE 119 1HE PHE 119 2.064 11.015 -9.478 702 HE2 PHE 119 2HE PHE 119 -1.330 9.884 -7.195 703 HZ PHE 119 HZ PHE 119 -0.351 10.525 -9.348 704 H MET 120 H MET 120 6.211 11.783 -3.656 705 HA MET 120 HA MET 120 5.965 10.425 -1.022 706 1HB MET 120 1HB MET 120 8.342 10.417 -2.929 707 2HB MET 120 2HB MET 120 8.401 9.893 -1.234 708 1HG MET 120 1HG MET 120 6.747 8.666 -3.468 709 2HG MET 120 2HG MET 120 8.205 7.974 -2.746 710 1HE MET 120 1HE MET 120 6.931 7.003 0.877 711 2HE MET 120 2HE MET 120 8.282 6.869 -0.267 712 3HE MET 120 3HE MET 120 7.816 8.459 0.389 713 H SER 121 H SER 121 6.454 11.844 0.606 714 HA SER 121 HA SER 121 7.189 14.569 -0.154 715 1HB SER 121 1HB SER 121 6.149 13.310 2.182 716 2HB SER 121 2HB SER 121 7.686 14.055 2.651 717 HG SER 121 HG SER 121 5.465 15.269 1.333 718 H ASN 122 H ASN 122 9.056 15.465 1.202 719 HA ASN 122 HA ASN 122 11.347 14.901 -0.166 720 1HB ASN 122 1HB ASN 122 10.952 16.958 1.118 721 2HB ASN 122 2HB ASN 122 11.031 16.026 2.633 722 1HD2 ASN 122 1HD2 ASN 122 12.878 16.854 -0.337 723 2HD2 ASN 122 2HD2 ASN 122 14.467 16.656 0.360 724 H ARG 123 H ARG 123 10.409 13.404 2.942 725 HA ARG 123 HA ARG 123 12.210 11.201 2.301 726 1HB ARG 123 1HB ARG 123 12.274 12.665 4.942 727 2HB ARG 123 2HB ARG 123 12.829 10.987 4.728 728 1HG ARG 123 1HG ARG 123 14.126 12.126 2.663 729 2HG ARG 123 2HG ARG 123 13.986 13.576 3.653 730 1HD ARG 123 1HD ARG 123 15.203 12.491 5.468 731 2HD ARG 123 2HD ARG 123 15.128 10.937 4.574 732 HE ARG 123 HE ARG 123 16.329 12.751 2.855 733 1HH1 ARG 123 2HH2 ARG 123 16.995 11.065 5.905 734 2HH1 ARG 123 1HH2 ARG 123 18.713 11.326 5.864 735 1HH2 ARG 123 2HH1 ARG 123 18.655 12.781 2.596 736 2HH2 ARG 123 1HH1 ARG 123 19.690 12.187 3.829 737 H ALA 124 H ALA 124 11.553 9.282 3.075 738 HA ALA 124 HA ALA 124 8.781 8.900 3.915 739 1HB ALA 124 1HB ALA 124 9.869 7.179 2.564 740 2HB ALA 124 2HB ALA 124 11.211 7.053 3.733 741 3HB ALA 124 3HB ALA 124 9.578 6.547 4.198 742 H ARG 125 H ARG 125 8.172 9.124 6.081 743 HA ARG 125 HA ARG 125 10.302 8.976 8.115 744 1HB ARG 125 1HB ARG 125 8.120 11.053 8.226 745 2HB ARG 125 2HB ARG 125 9.499 10.876 9.315 746 1HG ARG 125 1HG ARG 125 9.563 11.842 6.444 747 2HG ARG 125 2HG ARG 125 9.658 12.824 7.937 748 1HD ARG 125 1HD ARG 125 11.771 11.177 8.340 749 2HD ARG 125 2HD ARG 125 11.722 11.199 6.549 750 HE ARG 125 HE ARG 125 11.806 13.621 6.631 751 1HH1 ARG 125 2HH2 ARG 125 12.726 12.114 9.753 752 2HH1 ARG 125 1HH2 ARG 125 13.298 13.614 10.404 753 1HH2 ARG 125 2HH1 ARG 125 12.828 15.503 7.448 754 2HH2 ARG 125 1HH1 ARG 125 13.633 15.444 8.970 Start of MODEL 4 1 1H GLY 25 H GLY 25 -3.965 -12.672 -12.762 2 1HA GLY 25 1HA GLY 25 -5.937 -11.353 -12.385 3 2HA GLY 25 2HA GLY 25 -6.429 -12.986 -12.881 4 H GLN 26 H GLN 26 -8.437 -13.064 -11.661 5 HA GLN 26 HA GLN 26 -8.277 -12.608 -8.777 6 1HB GLN 26 1HB GLN 26 -10.388 -12.158 -9.757 7 2HB GLN 26 2HB GLN 26 -10.494 -13.794 -10.436 8 1HG GLN 26 1HG GLN 26 -11.922 -13.557 -8.490 9 2HG GLN 26 2HG GLN 26 -10.670 -14.755 -8.186 10 1HE2 GLN 26 1HE2 GLN 26 -8.695 -13.816 -6.952 11 2HE2 GLN 26 2HE2 GLN 26 -9.030 -12.783 -5.581 12 H GLU 27 H GLU 27 -6.767 -13.909 -7.820 13 HA GLU 27 HA GLU 27 -7.449 -16.774 -7.775 14 1HB GLU 27 1HB GLU 27 -5.048 -17.341 -8.250 15 2HB GLU 27 2HB GLU 27 -5.895 -16.574 -9.618 16 1HG GLU 27 1HG GLU 27 -4.888 -14.375 -8.876 17 2HG GLU 27 2HG GLU 27 -3.902 -15.252 -7.719 18 HE2 GLU 27 HE GLU 27 -1.713 -16.152 -10.297 19 H LEU 28 H LEU 28 -7.346 -14.416 -5.912 20 HA LEU 28 HA LEU 28 -6.641 -16.069 -3.614 21 1HB LEU 28 1HB LEU 28 -5.335 -13.438 -4.212 22 2HB LEU 28 2HB LEU 28 -5.792 -13.804 -2.524 23 HG LEU 28 HG LEU 28 -3.986 -15.583 -4.199 24 1HD1 LEU 28 1HD1 LEU 28 -2.175 -14.584 -2.852 25 2HD1 LEU 28 2HD1 LEU 28 -3.026 -13.375 -3.812 26 3HD1 LEU 28 3HD1 LEU 28 -3.347 -13.497 -2.075 27 1HD2 LEU 28 1HD2 LEU 28 -5.104 -16.739 -2.309 28 2HD2 LEU 28 2HD2 LEU 28 -3.384 -16.488 -1.972 29 3HD2 LEU 28 3HD2 LEU 28 -4.599 -15.445 -1.205 30 HA PRO 29 HA PRO 29 -10.587 -13.968 -2.848 31 1HB PRO 29 1HB PRO 29 -11.569 -15.605 -0.902 32 2HB PRO 29 2HB PRO 29 -11.510 -16.084 -2.628 33 1HG PRO 29 1HG PRO 29 -9.604 -16.829 -0.411 34 2HG PRO 29 2HG PRO 29 -10.276 -17.875 -1.712 35 1HD PRO 29 1HD PRO 29 -7.763 -16.656 -1.755 36 2HD PRO 29 2HD PRO 29 -8.629 -17.124 -3.228 37 HA PRO 30 HA PRO 30 -9.152 -11.258 0.174 38 1HB PRO 30 1HB PRO 30 -11.406 -10.133 1.291 39 2HB PRO 30 2HB PRO 30 -10.618 -9.727 -0.265 40 1HG PRO 30 1HG PRO 30 -13.014 -11.452 0.228 41 2HG PRO 30 2HG PRO 30 -12.664 -10.348 -1.153 42 1HD PRO 30 1HD PRO 30 -12.392 -13.094 -1.252 43 2HD PRO 30 2HD PRO 30 -11.439 -11.976 -2.255 44 H GLY 31 H GLY 31 -9.164 -10.491 2.512 45 1HA GLY 31 1HA GLY 31 -9.849 -12.048 4.766 46 2HA GLY 31 2HA GLY 31 -8.411 -12.768 4.036 47 H THR 32 H THR 32 -7.194 -12.208 5.966 48 HA THR 32 HA THR 32 -5.931 -9.612 5.496 49 HB THR 32 HB THR 32 -7.472 -9.228 7.400 50 HG1 THR 32 1HG THR 32 -6.058 -7.889 7.985 51 1HG2 THR 32 1HG2 THR 32 -6.934 -10.151 9.618 52 2HG2 THR 32 2HG2 THR 32 -7.376 -11.462 8.512 53 3HG2 THR 32 3HG2 THR 32 -5.665 -11.164 8.929 54 H TYR 33 H TYR 33 -3.717 -9.678 5.520 55 HA TYR 33 HA TYR 33 -2.453 -12.281 6.216 56 1HB TYR 33 1HB TYR 33 -0.862 -11.689 4.278 57 2HB TYR 33 2HB TYR 33 -2.396 -12.535 3.995 58 HD1 TYR 33 1HD TYR 33 -1.148 -8.895 3.934 59 HD2 TYR 33 2HD TYR 33 -3.281 -12.045 1.929 60 HE1 TYR 33 1HE TYR 33 -1.732 -7.381 2.143 61 HE2 TYR 33 2HE TYR 33 -3.803 -10.506 0.110 62 HH TYR 33 HH TYR 33 -3.496 -8.211 -0.784 63 H ARG 34 H ARG 34 -0.869 -12.069 7.715 64 HA ARG 34 HA ARG 34 0.106 -9.406 8.436 65 1HB ARG 34 1HB ARG 34 -0.211 -11.466 9.956 66 2HB ARG 34 2HB ARG 34 1.293 -12.072 9.272 67 1HG ARG 34 1HG ARG 34 0.834 -9.551 10.882 68 2HG ARG 34 2HG ARG 34 1.743 -10.993 11.351 69 1HD ARG 34 1HD ARG 34 3.066 -10.125 9.087 70 2HD ARG 34 2HD ARG 34 2.581 -8.598 9.805 71 HE ARG 34 HE ARG 34 4.800 -10.003 10.474 72 1HH1 ARG 34 2HH2 ARG 34 2.090 -8.861 12.570 73 2HH1 ARG 34 1HH2 ARG 34 3.170 -8.720 13.914 74 1HH2 ARG 34 2HH1 ARG 34 6.019 -9.844 12.167 75 2HH2 ARG 34 1HH1 ARG 34 5.416 -9.554 13.780 76 H VAL 35 H VAL 35 1.623 -8.343 7.215 77 HA VAL 35 HA VAL 35 4.005 -9.784 6.371 78 HB VAL 35 HB VAL 35 3.834 -8.838 4.029 79 1HG1 VAL 35 1HG1 VAL 35 3.213 -11.276 4.713 80 2HG1 VAL 35 2HG1 VAL 35 1.571 -10.791 4.293 81 3HG1 VAL 35 3HG1 VAL 35 2.898 -10.694 3.097 82 1HG2 VAL 35 1HG2 VAL 35 0.897 -8.444 4.728 83 2HG2 VAL 35 2HG2 VAL 35 2.077 -7.173 4.350 84 3HG2 VAL 35 3HG2 VAL 35 1.591 -8.372 3.113 85 H ASP 36 H ASP 36 5.462 -8.142 5.222 86 HA ASP 36 HA ASP 36 5.498 -5.769 7.002 87 1HB ASP 36 1HB ASP 36 7.910 -6.781 5.538 88 2HB ASP 36 2HB ASP 36 7.742 -5.672 6.936 89 HD2 ASP 36 HD ASP 36 8.867 -9.086 7.911 90 H ILE 37 H ILE 37 5.037 -3.988 5.995 91 HA ILE 37 HA ILE 37 4.425 -3.816 3.152 92 HB ILE 37 HB ILE 37 4.428 -1.809 5.469 93 1HG1 ILE 37 1HG1 ILE 37 1.861 -1.975 4.943 94 2HG1 ILE 37 2HG1 ILE 37 2.273 -3.558 4.277 95 1HG2 ILE 37 1HG2 ILE 37 3.304 -1.469 2.659 96 2HG2 ILE 37 2HG2 ILE 37 3.095 -0.338 4.020 97 3HG2 ILE 37 3HG2 ILE 37 4.700 -0.603 3.351 98 1HD1 ILE 37 1HD1 ILE 37 2.848 -2.716 7.145 99 2HD1 ILE 37 2HD1 ILE 37 1.422 -3.605 6.634 100 3HD1 ILE 37 3HD1 ILE 37 3.010 -4.349 6.468 101 H TYR 38 H TYR 38 5.939 -3.286 1.639 102 HA TYR 38 HA TYR 38 8.570 -2.195 2.499 103 1HB TYR 38 1HB TYR 38 7.906 -4.716 1.151 104 2HB TYR 38 2HB TYR 38 9.122 -3.746 0.296 105 HD1 TYR 38 1HD TYR 38 11.320 -3.701 0.930 106 HD2 TYR 38 2HD TYR 38 8.455 -5.490 3.561 107 HE1 TYR 38 1HE TYR 38 13.182 -4.750 2.185 108 HE2 TYR 38 2HE TYR 38 10.284 -6.679 4.740 109 HH TYR 38 HH TYR 38 12.532 -7.387 4.353 110 H LEU 39 H LEU 39 8.248 -0.154 1.801 111 HA LEU 39 HA LEU 39 6.993 0.310 -0.803 112 1HB LEU 39 1HB LEU 39 6.191 1.754 0.947 113 2HB LEU 39 2HB LEU 39 7.873 2.161 1.390 114 HG LEU 39 HG LEU 39 7.780 3.051 -1.219 115 1HD1 LEU 39 1HD1 LEU 39 5.139 3.846 0.012 116 2HD1 LEU 39 2HD1 LEU 39 5.802 4.346 -1.535 117 3HD1 LEU 39 3HD1 LEU 39 5.261 2.674 -1.300 118 1HD2 LEU 39 1HD2 LEU 39 7.577 5.268 -0.258 119 2HD2 LEU 39 2HD2 LEU 39 6.960 4.582 1.266 120 3HD2 LEU 39 3HD2 LEU 39 8.639 4.279 0.765 121 H ASN 40 H ASN 40 8.264 0.740 -2.574 122 HA ASN 40 HA ASN 40 10.150 0.837 -3.882 123 1HB ASN 40 1HB ASN 40 10.982 2.881 -1.804 124 2HB ASN 40 2HB ASN 40 11.761 2.635 -3.391 125 1HD2 ASN 40 1HD2 ASN 40 9.770 4.701 -1.844 126 2HD2 ASN 40 2HD2 ASN 40 8.840 5.235 -3.239 127 H ASN 41 H ASN 41 10.161 -1.357 -2.433 128 HA ASN 41 HA ASN 41 11.464 -3.082 -1.774 129 1HB ASN 41 1HB ASN 41 14.008 -1.638 -2.448 130 2HB ASN 41 2HB ASN 41 13.588 -3.348 -2.644 131 1HD2 ASN 41 1HD2 ASN 41 13.868 -0.338 -4.181 132 2HD2 ASN 41 2HD2 ASN 41 12.881 -0.622 -5.600 133 H GLY 42 H GLY 42 10.986 -0.708 0.243 134 1HA GLY 42 1HA GLY 42 13.068 -1.536 2.205 135 2HA GLY 42 2HA GLY 42 12.658 0.163 1.906 136 H TYR 43 H TYR 43 12.146 -2.203 4.054 137 HA TYR 43 HA TYR 43 9.374 -2.440 4.486 138 1HB TYR 43 1HB TYR 43 10.445 -4.016 5.625 139 2HB TYR 43 2HB TYR 43 11.902 -3.042 5.852 140 HD1 TYR 43 1HD TYR 43 12.399 -2.041 7.889 141 HD2 TYR 43 2HD TYR 43 8.441 -3.597 7.198 142 HE1 TYR 43 1HE TYR 43 11.787 -1.495 10.223 143 HE2 TYR 43 2HE TYR 43 7.848 -3.147 9.512 144 HH TYR 43 HH TYR 43 8.773 -1.117 11.194 145 H MET 44 H MET 44 7.893 -1.135 5.430 146 HA MET 44 HA MET 44 8.716 1.371 6.846 147 1HB MET 44 1HB MET 44 6.280 0.892 5.105 148 2HB MET 44 2HB MET 44 6.736 2.444 5.799 149 1HG MET 44 1HG MET 44 8.614 1.061 3.912 150 2HG MET 44 2HG MET 44 7.123 1.846 3.311 151 1HE MET 44 1HE MET 44 10.709 2.365 4.831 152 2HE MET 44 2HE MET 44 10.758 4.128 5.052 153 3HE MET 44 3HE MET 44 9.764 3.137 6.132 154 H ALA 45 H ALA 45 6.572 -1.488 6.937 155 HA ALA 45 HA ALA 45 5.816 -1.003 9.652 156 1HB ALA 45 1HB ALA 45 3.296 -1.105 9.146 157 2HB ALA 45 2HB ALA 45 4.081 0.442 8.815 158 3HB ALA 45 3HB ALA 45 3.696 -0.656 7.476 159 H THR 46 H THR 46 4.350 -2.867 10.357 160 HA THR 46 HA THR 46 4.455 -5.319 8.764 161 HB THR 46 HB THR 46 5.979 -4.759 11.342 162 HG1 THR 46 1HG THR 46 6.937 -6.343 9.264 163 1HG2 THR 46 1HG2 THR 46 4.801 -6.765 11.855 164 2HG2 THR 46 2HG2 THR 46 5.131 -7.442 10.239 165 3HG2 THR 46 3HG2 THR 46 6.451 -7.221 11.414 166 H ARG 47 H ARG 47 2.388 -6.078 9.022 167 HA ARG 47 HA ARG 47 1.165 -6.506 11.501 168 1HB ARG 47 1HB ARG 47 -0.808 -4.892 11.189 169 2HB ARG 47 2HB ARG 47 0.691 -4.274 11.927 170 1HG ARG 47 1HG ARG 47 0.598 -2.584 10.521 171 2HG ARG 47 2HG ARG 47 0.965 -3.681 9.186 172 1HD ARG 47 1HD ARG 47 -0.929 -2.594 8.459 173 2HD ARG 47 2HD ARG 47 -1.564 -4.108 9.052 174 HE ARG 47 HE ARG 47 -1.522 -1.528 10.587 175 1HH1 ARG 47 2HH2 ARG 47 -3.478 -4.489 9.821 176 2HH1 ARG 47 1HH2 ARG 47 -4.899 -3.827 10.497 177 1HH2 ARG 47 2HH1 ARG 47 -3.456 -0.732 11.400 178 2HH2 ARG 47 1HH1 ARG 47 -4.869 -1.709 11.567 179 H ASP 48 H ASP 48 -1.110 -7.139 11.184 180 HA ASP 48 HA ASP 48 -1.724 -8.770 8.888 181 1HB ASP 48 1HB ASP 48 -3.277 -7.756 11.268 182 2HB ASP 48 2HB ASP 48 -4.036 -8.708 9.972 183 HD2 ASP 48 HD ASP 48 -1.437 -10.588 12.344 184 H VAL 49 H VAL 49 -1.702 -7.645 6.949 185 HA VAL 49 HA VAL 49 -3.218 -5.121 6.705 186 HB VAL 49 HB VAL 49 -1.929 -6.422 4.339 187 1HG1 VAL 49 1HG1 VAL 49 -1.590 -4.028 3.789 188 2HG1 VAL 49 2HG1 VAL 49 -3.290 -4.327 4.227 189 3HG1 VAL 49 3HG1 VAL 49 -2.189 -3.556 5.382 190 1HG2 VAL 49 1HG2 VAL 49 -0.384 -4.960 6.513 191 2HG2 VAL 49 2HG2 VAL 49 -0.076 -6.602 5.910 192 3HG2 VAL 49 3HG2 VAL 49 0.207 -5.219 4.852 193 H THR 50 H THR 50 -5.288 -5.409 6.712 194 HA THR 50 HA THR 50 -6.691 -7.736 5.692 195 HB THR 50 HB THR 50 -7.616 -4.925 6.370 196 HG1 THR 50 1HG THR 50 -8.097 -6.863 8.244 197 1HG2 THR 50 1HG2 THR 50 -9.161 -7.549 6.317 198 2HG2 THR 50 2HG2 THR 50 -9.791 -5.973 6.850 199 3HG2 THR 50 3HG2 THR 50 -9.329 -6.209 5.157 200 H PHE 51 H PHE 51 -7.125 -8.120 3.421 201 HA PHE 51 HA PHE 51 -7.016 -5.835 1.628 202 1HB PHE 51 1HB PHE 51 -6.498 -7.702 0.024 203 2HB PHE 51 2HB PHE 51 -5.283 -7.419 1.287 204 HD1 PHE 51 1HD PHE 51 -7.446 -9.836 -0.264 205 HD2 PHE 51 2HD PHE 51 -5.182 -9.050 3.290 206 HE1 PHE 51 1HE PHE 51 -7.219 -12.273 0.162 207 HE2 PHE 51 2HE PHE 51 -5.158 -11.494 3.780 208 HZ PHE 51 HZ PHE 51 -6.144 -13.088 2.224 209 H ASN 52 H ASN 52 -8.541 -5.722 0.037 210 HA ASN 52 HA ASN 52 -11.229 -6.918 0.602 211 1HB ASN 52 1HB ASN 52 -10.299 -4.309 -0.653 212 2HB ASN 52 2HB ASN 52 -11.935 -4.958 -0.937 213 1HD2 ASN 52 1HD2 ASN 52 -10.814 -5.552 2.330 214 2HD2 ASN 52 2HD2 ASN 52 -11.844 -4.352 3.042 215 H THR 53 H THR 53 -12.480 -7.322 -1.485 216 HA THR 53 HA THR 53 -11.115 -8.730 -3.521 217 HB THR 53 HB THR 53 -13.652 -7.350 -4.202 218 HG1 THR 53 1HG THR 53 -14.230 -9.275 -2.331 219 1HG2 THR 53 1HG2 THR 53 -14.400 -9.637 -4.712 220 2HG2 THR 53 2HG2 THR 53 -12.811 -9.330 -5.431 221 3HG2 THR 53 3HG2 THR 53 -12.938 -10.309 -3.956 222 H GLY 54 H GLY 54 -10.510 -7.961 -5.709 223 1HA GLY 54 1HA GLY 54 -10.461 -5.095 -6.226 224 2HA GLY 54 2HA GLY 54 -8.922 -5.819 -5.729 225 H ASP 55 H ASP 55 -8.224 -5.196 -7.973 226 HA ASP 55 HA ASP 55 -8.397 -7.652 -9.506 227 1HB ASP 55 1HB ASP 55 -9.976 -5.783 -10.511 228 2HB ASP 55 2HB ASP 55 -8.447 -5.041 -11.030 229 HD2 ASP 55 HD ASP 55 -8.786 -8.672 -12.605 230 H SER 56 H SER 56 -6.289 -8.159 -10.099 231 HA SER 56 HA SER 56 -4.240 -6.476 -10.757 232 1HB SER 56 1HB SER 56 -4.244 -7.208 -7.799 233 2HB SER 56 2HB SER 56 -2.713 -6.915 -8.674 234 HG SER 56 HG SER 56 -4.800 -5.057 -8.707 235 H GLU 57 H GLU 57 -1.990 -8.124 -10.013 236 HA GLU 57 HA GLU 57 -2.400 -10.558 -11.434 237 1HB GLU 57 1HB GLU 57 -0.268 -9.682 -9.467 238 2HB GLU 57 2HB GLU 57 -0.225 -11.245 -10.311 239 1HG GLU 57 1HG GLU 57 -0.321 -8.568 -11.739 240 2HG GLU 57 2HG GLU 57 1.184 -9.431 -11.339 241 HE2 GLU 57 HE GLU 57 0.785 -11.596 -14.029 242 H GLN 58 H GLN 58 -2.589 -9.811 -7.885 243 HA GLN 58 HA GLN 58 -3.484 -12.581 -7.334 244 1HB GLN 58 1HB GLN 58 -2.926 -10.167 -5.638 245 2HB GLN 58 2HB GLN 58 -3.504 -11.741 -5.039 246 1HG GLN 58 1HG GLN 58 -1.572 -12.772 -6.415 247 2HG GLN 58 2HG GLN 58 -0.913 -11.143 -6.560 248 1HE2 GLN 58 1HE2 GLN 58 -1.360 -10.074 -3.962 249 2HE2 GLN 58 2HE2 GLN 58 -0.409 -11.141 -2.906 250 H GLY 59 H GLY 59 -5.213 -9.640 -8.109 251 1HA GLY 59 1HA GLY 59 -7.524 -9.540 -8.488 252 2HA GLY 59 2HA GLY 59 -7.653 -11.128 -7.737 253 H ILE 60 H ILE 60 -6.083 -8.907 -5.713 254 HA ILE 60 HA ILE 60 -8.423 -8.044 -4.174 255 HB ILE 60 HB ILE 60 -7.028 -8.969 -2.107 256 1HG1 ILE 60 1HG1 ILE 60 -6.383 -11.209 -4.060 257 2HG1 ILE 60 2HG1 ILE 60 -5.224 -9.876 -3.837 258 1HG2 ILE 60 1HG2 ILE 60 -8.371 -11.105 -2.167 259 2HG2 ILE 60 2HG2 ILE 60 -9.320 -9.663 -2.532 260 3HG2 ILE 60 3HG2 ILE 60 -8.816 -10.746 -3.838 261 1HD1 ILE 60 1HD1 ILE 60 -6.217 -11.774 -1.720 262 2HD1 ILE 60 2HD1 ILE 60 -4.566 -11.613 -2.368 263 3HD1 ILE 60 3HD1 ILE 60 -5.262 -10.307 -1.400 264 H VAL 61 H VAL 61 -7.643 -6.414 -2.542 265 HA VAL 61 HA VAL 61 -4.904 -5.451 -3.044 266 HB VAL 61 HB VAL 61 -5.822 -3.110 -3.233 267 1HG1 VAL 61 1HG1 VAL 61 -6.563 -4.963 -5.543 268 2HG1 VAL 61 2HG1 VAL 61 -6.194 -3.236 -5.646 269 3HG1 VAL 61 3HG1 VAL 61 -4.928 -4.381 -5.191 270 1HG2 VAL 61 1HG2 VAL 61 -8.103 -2.839 -4.128 271 2HG2 VAL 61 2HG2 VAL 61 -8.452 -4.533 -3.800 272 3HG2 VAL 61 3HG2 VAL 61 -8.097 -3.421 -2.462 273 HA PRO 62 HA PRO 62 -5.051 -4.928 1.435 274 1HB PRO 62 1HB PRO 62 -3.149 -2.714 1.210 275 2HB PRO 62 2HB PRO 62 -2.965 -4.303 1.967 276 1HG PRO 62 1HG PRO 62 -1.704 -3.586 -0.362 277 2HG PRO 62 2HG PRO 62 -2.142 -5.302 0.067 278 1HD PRO 62 1HD PRO 62 -3.482 -3.388 -1.823 279 2HD PRO 62 2HD PRO 62 -3.255 -5.143 -1.931 280 H CYS 63 H CYS 63 -5.778 -3.573 2.968 281 HA CYS 63 HA CYS 63 -7.363 -1.219 2.217 282 1HB CYS 63 1HB CYS 63 -6.934 -2.810 4.754 283 2HB CYS 63 2HB CYS 63 -8.048 -1.450 4.601 284 HG CYS 63 HG CYS 63 -9.389 -3.696 4.748 285 H LEU 64 H LEU 64 -5.253 -0.117 1.572 286 HA LEU 64 HA LEU 64 -3.510 0.795 3.793 287 1HB LEU 64 1HB LEU 64 -3.624 1.662 0.876 288 2HB LEU 64 2HB LEU 64 -2.426 2.169 2.096 289 HG LEU 64 HG LEU 64 -2.456 -0.701 2.019 290 1HD1 LEU 64 1HD1 LEU 64 -3.456 -0.490 -0.264 291 2HD1 LEU 64 2HD1 LEU 64 -2.087 0.524 -0.761 292 3HD1 LEU 64 3HD1 LEU 64 -1.826 -1.169 -0.323 293 1HD2 LEU 64 1HD2 LEU 64 -0.523 0.776 2.604 294 2HD2 LEU 64 2HD2 LEU 64 -0.135 -0.527 1.483 295 3HD2 LEU 64 3HD2 LEU 64 -0.321 1.131 0.872 296 H THR 65 H THR 65 -3.936 2.744 4.905 297 HA THR 65 HA THR 65 -6.330 4.262 4.058 298 HB THR 65 HB THR 65 -6.609 4.873 6.366 299 HG1 THR 65 1HG THR 65 -4.988 4.277 7.906 300 1HG2 THR 65 1HG2 THR 65 -5.702 1.941 6.364 301 2HG2 THR 65 2HG2 THR 65 -6.713 2.722 7.573 302 3HG2 THR 65 3HG2 THR 65 -7.312 2.531 5.907 303 H ARG 66 H ARG 66 -6.179 6.778 4.659 304 HA ARG 66 HA ARG 66 -4.056 8.027 3.420 305 1HB ARG 66 1HB ARG 66 -6.240 9.023 4.167 306 2HB ARG 66 2HB ARG 66 -5.664 8.951 5.850 307 1HG ARG 66 1HG ARG 66 -4.641 10.936 5.574 308 2HG ARG 66 2HG ARG 66 -3.629 10.243 4.281 309 1HD ARG 66 1HD ARG 66 -4.656 11.985 3.178 310 2HD ARG 66 2HD ARG 66 -5.693 10.597 2.775 311 HE ARG 66 HE ARG 66 -7.357 11.378 4.215 312 1HH1 ARG 66 2HH2 ARG 66 -4.606 13.628 4.647 313 2HH1 ARG 66 1HH2 ARG 66 -5.617 14.825 5.365 314 1HH2 ARG 66 2HH1 ARG 66 -8.486 12.775 5.336 315 2HH2 ARG 66 1HH1 ARG 66 -7.846 14.258 5.951 316 H ALA 67 H ALA 67 -4.378 7.150 6.918 317 HA ALA 67 HA ALA 67 -1.993 8.544 7.643 318 1HB ALA 67 1HB ALA 67 -2.132 7.325 9.742 319 2HB ALA 67 2HB ALA 67 -3.694 8.039 9.325 320 3HB ALA 67 3HB ALA 67 -3.424 6.286 9.094 321 H GLN 68 H GLN 68 -2.679 5.099 6.858 322 HA GLN 68 HA GLN 68 -0.156 3.970 7.377 323 1HB GLN 68 1HB GLN 68 -2.283 3.460 5.265 324 2HB GLN 68 2HB GLN 68 -0.857 2.431 5.361 325 1HG GLN 68 1HG GLN 68 -2.588 2.938 7.799 326 2HG GLN 68 2HG GLN 68 -3.063 1.747 6.578 327 1HE2 GLN 68 1HE2 GLN 68 -2.508 -0.328 7.333 328 2HE2 GLN 68 2HE2 GLN 68 -1.033 -0.633 8.245 329 H LEU 69 H LEU 69 -1.366 5.463 4.327 330 HA LEU 69 HA LEU 69 1.137 5.071 3.007 331 1HB LEU 69 1HB LEU 69 -1.051 7.065 2.375 332 2HB LEU 69 2HB LEU 69 0.248 6.485 1.292 333 HG LEU 69 HG LEU 69 -1.684 4.519 2.541 334 1HD1 LEU 69 1HD1 LEU 69 -2.174 6.211 0.080 335 2HD1 LEU 69 2HD1 LEU 69 -3.130 4.781 0.569 336 3HD1 LEU 69 3HD1 LEU 69 -3.080 6.234 1.584 337 1HD2 LEU 69 1HD2 LEU 69 -1.162 3.306 0.399 338 2HD2 LEU 69 2HD2 LEU 69 0.121 4.507 0.117 339 3HD2 LEU 69 3HD2 LEU 69 0.173 3.476 1.549 340 H ALA 70 H ALA 70 -0.195 7.931 4.742 341 HA ALA 70 HA ALA 70 2.108 9.592 4.149 342 1HB ALA 70 1HB ALA 70 1.265 10.980 6.030 343 2HB ALA 70 2HB ALA 70 -0.011 10.553 4.876 344 3HB ALA 70 3HB ALA 70 0.092 9.697 6.427 345 H SER 71 H SER 71 1.652 6.887 6.323 346 HA SER 71 HA SER 71 3.718 7.564 8.258 347 1HB SER 71 1HB SER 71 1.655 6.191 8.693 348 2HB SER 71 2HB SER 71 2.373 4.926 7.660 349 HG SER 71 HG SER 71 3.226 5.818 10.227 350 H MET 72 H MET 72 3.687 6.230 5.068 351 HA MET 72 HA MET 72 6.451 5.129 5.344 352 1HB MET 72 1HB MET 72 5.982 4.099 3.105 353 2HB MET 72 2HB MET 72 4.999 3.447 4.432 354 1HG MET 72 1HG MET 72 3.134 4.792 3.816 355 2HG MET 72 2HG MET 72 4.102 5.651 2.625 356 1HE MET 72 1HE MET 72 2.222 2.543 3.615 357 2HE MET 72 2HE MET 72 2.419 1.430 2.227 358 3HE MET 72 3HE MET 72 3.839 1.849 3.234 359 H GLY 73 H GLY 73 4.601 7.879 4.293 360 1HA GLY 73 1HA GLY 73 5.890 9.876 4.010 361 2HA GLY 73 2HA GLY 73 7.103 8.978 3.117 362 H LEU 74 H LEU 74 3.842 8.119 2.261 363 HA LEU 74 HA LEU 74 3.959 9.251 -0.370 364 1HB LEU 74 1HB LEU 74 2.402 7.428 0.135 365 2HB LEU 74 2HB LEU 74 1.631 8.453 1.384 366 HG LEU 74 HG LEU 74 1.306 10.068 -0.811 367 1HD1 LEU 74 1HD1 LEU 74 0.769 8.893 -2.760 368 2HD1 LEU 74 2HD1 LEU 74 2.410 8.440 -2.274 369 3HD1 LEU 74 3HD1 LEU 74 1.046 7.323 -1.966 370 1HD2 LEU 74 1HD2 LEU 74 -0.325 9.279 0.877 371 2HD2 LEU 74 2HD2 LEU 74 -0.900 9.585 -0.765 372 3HD2 LEU 74 3HD2 LEU 74 -0.646 7.905 -0.217 373 H ASN 75 H ASN 75 3.487 11.180 -1.015 374 HA ASN 75 HA ASN 75 2.677 13.348 0.817 375 1HB ASN 75 1HB ASN 75 4.393 13.523 -1.080 376 2HB ASN 75 2HB ASN 75 3.039 13.440 -2.205 377 1HD2 ASN 75 1HD2 ASN 75 4.818 15.551 -2.006 378 2HD2 ASN 75 2HD2 ASN 75 4.045 16.998 -1.396 379 H THR 76 H THR 76 0.561 12.857 1.439 380 HA THR 76 HA THR 76 -1.572 11.920 -0.223 381 HB THR 76 HB THR 76 -2.957 12.817 1.635 382 HG1 THR 76 1HG THR 76 -1.839 13.641 3.435 383 1HG2 THR 76 1HG2 THR 76 -0.472 11.240 2.475 384 2HG2 THR 76 2HG2 THR 76 -1.937 11.400 3.436 385 3HG2 THR 76 3HG2 THR 76 -2.007 10.574 1.874 386 H ALA 77 H ALA 77 -0.144 15.195 0.030 387 HA ALA 77 HA ALA 77 -2.500 16.415 -1.163 388 1HB ALA 77 1HB ALA 77 -1.024 17.712 0.307 389 2HB ALA 77 2HB ALA 77 0.321 17.514 -0.850 390 3HB ALA 77 3HB ALA 77 -1.125 18.431 -1.301 391 H SER 78 H SER 78 0.547 14.988 -2.445 392 HA SER 78 HA SER 78 0.265 16.074 -5.090 393 1HB SER 78 1HB SER 78 1.583 13.485 -4.192 394 2HB SER 78 2HB SER 78 1.849 14.296 -5.751 395 HG SER 78 HG SER 78 2.396 16.201 -4.269 396 H VAL 79 H VAL 79 -1.425 13.420 -3.415 397 HA VAL 79 HA VAL 79 -2.610 12.520 -5.944 398 HB VAL 79 HB VAL 79 -2.994 11.458 -3.123 399 1HG1 VAL 79 1HG1 VAL 79 -3.632 9.405 -4.449 400 2HG1 VAL 79 2HG1 VAL 79 -4.695 10.797 -4.793 401 3HG1 VAL 79 3HG1 VAL 79 -3.421 10.336 -5.935 402 1HG2 VAL 79 1HG2 VAL 79 -0.597 11.220 -3.590 403 2HG2 VAL 79 2HG2 VAL 79 -1.419 9.666 -3.614 404 3HG2 VAL 79 3HG2 VAL 79 -1.035 10.437 -5.147 405 H ALA 80 H ALA 80 -3.975 14.182 -6.503 406 HA ALA 80 HA ALA 80 -5.628 15.705 -4.650 407 1HB ALA 80 1HB ALA 80 -5.878 15.120 -7.637 408 2HB ALA 80 2HB ALA 80 -6.873 16.279 -6.735 409 3HB ALA 80 3HB ALA 80 -5.126 16.558 -6.908 410 H GLY 81 H GLY 81 -7.471 14.952 -3.675 411 1HA GLY 81 1HA GLY 81 -9.441 13.637 -3.476 412 2HA GLY 81 2HA GLY 81 -8.923 12.627 -4.821 413 H MET 82 H MET 82 -6.227 12.920 -2.803 414 HA MET 82 HA MET 82 -6.936 10.594 -1.062 415 1HB MET 82 1HB MET 82 -4.824 10.423 -2.185 416 2HB MET 82 2HB MET 82 -4.355 12.008 -1.505 417 1HG MET 82 1HG MET 82 -3.445 10.943 0.132 418 2HG MET 82 2HG MET 82 -5.031 10.618 0.771 419 1HE MET 82 1HE MET 82 -2.712 9.302 -1.948 420 2HE MET 82 2HE MET 82 -2.686 7.537 -1.709 421 3HE MET 82 3HE MET 82 -4.106 8.318 -2.428 422 H ASN 83 H ASN 83 -5.917 13.957 -1.066 423 HA ASN 83 HA ASN 83 -5.284 14.353 1.607 424 1HB ASN 83 1HB ASN 83 -5.321 16.742 0.918 425 2HB ASN 83 2HB ASN 83 -4.443 15.680 -0.208 426 1HD2 ASN 83 1HD2 ASN 83 -6.566 18.266 -0.112 427 2HD2 ASN 83 2HD2 ASN 83 -7.366 17.990 -1.664 428 H LEU 84 H LEU 84 -8.196 13.398 0.996 429 HA LEU 84 HA LEU 84 -9.634 15.049 2.937 430 1HB LEU 84 1HB LEU 84 -11.677 14.425 1.475 431 2HB LEU 84 2HB LEU 84 -10.715 15.879 1.182 432 HG LEU 84 HG LEU 84 -11.440 14.614 -0.832 433 1HD1 LEU 84 1HD1 LEU 84 -9.722 15.477 -1.975 434 2HD1 LEU 84 2HD1 LEU 84 -9.181 16.024 -0.368 435 3HD1 LEU 84 3HD1 LEU 84 -8.513 14.551 -1.077 436 1HD2 LEU 84 1HD2 LEU 84 -10.515 12.579 -1.541 437 2HD2 LEU 84 2HD2 LEU 84 -9.289 12.522 -0.274 438 3HD2 LEU 84 3HD2 LEU 84 -11.011 12.275 0.114 439 H LEU 85 H LEU 85 -8.541 11.866 2.092 440 HA LEU 85 HA LEU 85 -10.979 10.398 2.619 441 1HB LEU 85 1HB LEU 85 -8.037 9.745 2.204 442 2HB LEU 85 2HB LEU 85 -9.157 8.467 2.710 443 HG LEU 85 HG LEU 85 -9.701 10.166 0.258 444 1HD1 LEU 85 1HD1 LEU 85 -8.441 7.450 0.002 445 2HD1 LEU 85 2HD1 LEU 85 -8.541 8.761 -1.159 446 3HD1 LEU 85 3HD1 LEU 85 -7.399 8.881 0.200 447 1HD2 LEU 85 1HD2 LEU 85 -10.529 7.350 1.119 448 2HD2 LEU 85 2HD2 LEU 85 -11.571 8.799 1.118 449 3HD2 LEU 85 3HD2 LEU 85 -10.990 8.134 -0.409 450 H ALA 86 H ALA 86 -11.248 8.845 4.391 451 HA ALA 86 HA ALA 86 -10.561 9.838 6.981 452 1HB ALA 86 1HB ALA 86 -11.486 7.083 6.067 453 2HB ALA 86 2HB ALA 86 -11.410 7.605 7.741 454 3HB ALA 86 3HB ALA 86 -12.511 8.422 6.632 455 H ASP 87 H ASP 87 -9.276 8.809 8.598 456 HA ASP 87 HA ASP 87 -6.684 7.725 7.751 457 1HB ASP 87 1HB ASP 87 -7.882 8.411 10.447 458 2HB ASP 87 2HB ASP 87 -6.306 7.595 10.257 459 HD2 ASP 87 HD ASP 87 -6.250 11.443 9.972 460 H ASP 88 H ASP 88 -9.594 6.424 7.808 461 HA ASP 88 HA ASP 88 -8.605 3.746 7.656 462 1HB ASP 88 1HB ASP 88 -9.086 3.637 9.988 463 2HB ASP 88 2HB ASP 88 -10.664 4.393 9.763 464 HD2 ASP 88 HD ASP 88 -11.683 1.032 9.799 465 H ALA 89 H ALA 89 -9.113 4.952 5.541 466 HA ALA 89 HA ALA 89 -11.568 3.630 4.636 467 1HB ALA 89 1HB ALA 89 -11.690 5.321 2.753 468 2HB ALA 89 2HB ALA 89 -12.234 5.932 4.321 469 3HB ALA 89 3HB ALA 89 -10.621 6.384 3.692 470 H CYS 90 H CYS 90 -11.001 2.212 3.038 471 HA CYS 90 HA CYS 90 -8.266 1.788 2.348 472 1HB CYS 90 1HB CYS 90 -10.671 0.881 0.763 473 2HB CYS 90 2HB CYS 90 -9.047 0.157 0.817 474 HG CYS 90 HG CYS 90 -10.780 -1.456 1.914 475 H VAL 91 H VAL 91 -7.165 3.272 1.271 476 HA VAL 91 HA VAL 91 -8.193 5.047 -0.788 477 HB VAL 91 HB VAL 91 -5.349 4.175 -0.054 478 1HG1 VAL 91 1HG1 VAL 91 -6.198 6.789 -1.320 479 2HG1 VAL 91 2HG1 VAL 91 -4.561 6.124 -1.101 480 3HG1 VAL 91 3HG1 VAL 91 -5.633 5.387 -2.268 481 1HG2 VAL 91 1HG2 VAL 91 -5.301 6.372 1.268 482 2HG2 VAL 91 2HG2 VAL 91 -7.070 6.372 1.163 483 3HG2 VAL 91 3HG2 VAL 91 -6.239 5.063 1.973 484 HA PRO 92 HA PRO 92 -7.195 1.809 -3.918 485 1HB PRO 92 1HB PRO 92 -7.915 3.076 -6.200 486 2HB PRO 92 2HB PRO 92 -9.117 2.385 -5.077 487 1HG PRO 92 1HG PRO 92 -8.371 5.232 -5.515 488 2HG PRO 92 2HG PRO 92 -9.920 4.527 -4.951 489 1HD PRO 92 1HD PRO 92 -7.739 5.674 -3.399 490 2HD PRO 92 2HD PRO 92 -9.256 5.026 -2.788 491 H LEU 93 H LEU 93 -5.026 2.309 -3.089 492 HA LEU 93 HA LEU 93 -3.484 4.583 -3.746 493 1HB LEU 93 1HB LEU 93 -3.023 2.854 -1.984 494 2HB LEU 93 2HB LEU 93 -2.535 1.713 -3.243 495 HG LEU 93 HG LEU 93 -0.632 2.680 -2.120 496 1HD1 LEU 93 1HD1 LEU 93 -0.495 4.078 -4.782 497 2HD1 LEU 93 2HD1 LEU 93 0.753 3.198 -3.899 498 3HD1 LEU 93 3HD1 LEU 93 -0.574 2.326 -4.713 499 1HD2 LEU 93 1HD2 LEU 93 -0.066 4.995 -2.123 500 2HD2 LEU 93 2HD2 LEU 93 -1.449 5.419 -3.157 501 3HD2 LEU 93 3HD2 LEU 93 -1.725 4.825 -1.513 502 H THR 94 H THR 94 -3.658 1.358 -5.256 503 HA THR 94 HA THR 94 -1.805 1.809 -7.332 504 HB THR 94 HB THR 94 -2.904 -0.434 -8.067 505 HG1 THR 94 1HG THR 94 -4.912 -0.139 -6.943 506 1HG2 THR 94 1HG2 THR 94 -1.842 -1.650 -6.262 507 2HG2 THR 94 2HG2 THR 94 -0.871 -0.200 -6.609 508 3HG2 THR 94 3HG2 THR 94 -1.903 -0.238 -5.184 509 H THR 95 H THR 95 -5.005 3.082 -7.154 510 HA THR 95 HA THR 95 -4.993 3.281 -10.136 511 HB THR 95 HB THR 95 -7.272 3.611 -8.168 512 HG1 THR 95 1HG THR 95 -6.752 1.479 -8.510 513 1HG2 THR 95 1HG2 THR 95 -7.482 5.122 -10.126 514 2HG2 THR 95 2HG2 THR 95 -7.318 3.741 -11.214 515 3HG2 THR 95 3HG2 THR 95 -8.710 3.855 -10.119 516 H MET 96 H MET 96 -5.351 5.150 -7.039 517 HA MET 96 HA MET 96 -5.584 7.624 -8.429 518 1HB MET 96 1HB MET 96 -4.799 7.015 -5.562 519 2HB MET 96 2HB MET 96 -5.057 8.654 -6.238 520 1HG MET 96 1HG MET 96 -7.330 7.417 -7.025 521 2HG MET 96 2HG MET 96 -6.975 6.585 -5.498 522 1HE MET 96 1HE MET 96 -7.077 9.375 -2.846 523 2HE MET 96 2HE MET 96 -6.723 7.680 -3.243 524 3HE MET 96 3HE MET 96 -5.624 8.988 -3.752 525 H VAL 97 H VAL 97 -2.765 5.958 -6.941 526 HA VAL 97 HA VAL 97 -0.894 7.968 -8.037 527 HB VAL 97 HB VAL 97 -0.352 5.457 -6.399 528 1HG1 VAL 97 1HG1 VAL 97 1.829 6.525 -5.943 529 2HG1 VAL 97 2HG1 VAL 97 1.581 6.228 -7.664 530 3HG1 VAL 97 3HG1 VAL 97 1.394 7.874 -7.025 531 1HG2 VAL 97 1HG2 VAL 97 -1.673 7.052 -5.011 532 2HG2 VAL 97 2HG2 VAL 97 0.003 6.933 -4.455 533 3HG2 VAL 97 3HG2 VAL 97 -0.503 8.327 -5.428 534 H GLN 98 H GLN 98 -0.368 7.591 -10.129 535 HA GLN 98 HA GLN 98 -0.903 5.080 -11.473 536 1HB GLN 98 1HB GLN 98 -0.758 7.469 -12.473 537 2HB GLN 98 2HB GLN 98 1.001 7.284 -12.391 538 1HG GLN 98 1HG GLN 98 0.847 5.240 -13.781 539 2HG GLN 98 2HG GLN 98 -0.921 5.403 -13.823 540 1HE2 GLN 98 1HE2 GLN 98 1.808 5.892 -15.617 541 2HE2 GLN 98 2HE2 GLN 98 1.213 7.131 -16.695 542 H ASP 99 H ASP 99 0.823 3.698 -12.344 543 HA ASP 99 HA ASP 99 2.753 2.582 -12.499 544 1HB ASP 99 1HB ASP 99 3.725 5.028 -12.219 545 2HB ASP 99 2HB ASP 99 4.263 4.417 -10.647 546 HD2 ASP 99 HD ASP 99 6.649 2.335 -12.153 547 H ALA 100 H ALA 100 1.748 3.621 -9.355 548 HA ALA 100 HA ALA 100 3.236 1.852 -7.685 549 1HB ALA 100 1HB ALA 100 1.555 2.569 -6.017 550 2HB ALA 100 2HB ALA 100 2.143 3.961 -6.940 551 3HB ALA 100 3HB ALA 100 0.541 3.261 -7.297 552 H THR 101 H THR 101 2.697 0.108 -6.655 553 HA THR 101 HA THR 101 0.470 -1.615 -7.630 554 HB THR 101 HB THR 101 2.205 -3.442 -7.925 555 HG1 THR 101 1HG THR 101 4.306 -2.888 -8.048 556 1HG2 THR 101 1HG2 THR 101 1.148 -2.236 -9.830 557 2HG2 THR 101 2HG2 THR 101 2.449 -1.041 -9.792 558 3HG2 THR 101 3HG2 THR 101 2.813 -2.718 -10.194 559 H ALA 102 H ALA 102 -0.182 -3.215 -6.112 560 HA ALA 102 HA ALA 102 1.177 -3.193 -3.476 561 1HB ALA 102 1HB ALA 102 -1.815 -3.340 -4.090 562 2HB ALA 102 2HB ALA 102 -1.061 -3.444 -2.495 563 3HB ALA 102 3HB ALA 102 -0.973 -1.930 -3.410 564 H HIS 103 H HIS 103 2.430 -4.955 -4.129 565 HA HIS 103 HA HIS 103 0.941 -7.424 -4.887 566 1HB HIS 103 1HB HIS 103 2.499 -7.241 -6.515 567 2HB HIS 103 2HB HIS 103 3.632 -6.310 -5.521 568 HD1 HIS 103 1HD HIS 103 5.835 -7.582 -5.728 569 HD2 HIS 103 2HD HIS 103 2.498 -10.034 -4.872 570 HE1 HIS 103 1HE HIS 103 6.725 -9.904 -5.237 571 HE2 HIS 103 2HE HIS 103 4.716 -11.431 -4.779 572 H LEU 104 H LEU 104 0.460 -8.690 -3.206 573 HA LEU 104 HA LEU 104 2.006 -8.664 -0.661 574 1HB LEU 104 1HB LEU 104 -0.205 -8.893 -0.135 575 2HB LEU 104 2HB LEU 104 -0.623 -9.840 -1.544 576 HG LEU 104 HG LEU 104 1.090 -11.567 -0.267 577 1HD1 LEU 104 1HD1 LEU 104 1.701 -10.247 1.405 578 2HD1 LEU 104 2HD1 LEU 104 0.072 -9.824 1.843 579 3HD1 LEU 104 3HD1 LEU 104 0.631 -11.493 2.102 580 1HD2 LEU 104 1HD2 LEU 104 -0.640 -12.681 -0.927 581 2HD2 LEU 104 2HD2 LEU 104 -1.138 -12.482 0.752 582 3HD2 LEU 104 3HD2 LEU 104 -1.799 -11.439 -0.538 583 H ASP 105 H ASP 105 3.822 -9.812 -0.703 584 HA ASP 105 HA ASP 105 4.116 -12.301 -2.291 585 1HB ASP 105 1HB ASP 105 5.792 -10.376 -2.390 586 2HB ASP 105 2HB ASP 105 6.113 -10.687 -0.681 587 HD2 ASP 105 HD ASP 105 7.247 -13.966 -2.333 588 H VAL 106 H VAL 106 2.670 -13.594 -0.689 589 HA VAL 106 HA VAL 106 3.515 -13.709 2.093 590 HB VAL 106 HB VAL 106 2.126 -15.814 0.397 591 1HG1 VAL 106 1HG1 VAL 106 3.267 -16.955 2.299 592 2HG1 VAL 106 2HG1 VAL 106 2.601 -15.766 3.428 593 3HG1 VAL 106 3HG1 VAL 106 1.531 -16.896 2.570 594 1HG2 VAL 106 1HG2 VAL 106 0.847 -13.759 0.841 595 2HG2 VAL 106 2HG2 VAL 106 0.183 -15.102 1.775 596 3HG2 VAL 106 3HG2 VAL 106 1.197 -13.887 2.586 597 H GLY 107 H GLY 107 4.937 -14.858 -0.891 598 1HA GLY 107 1HA GLY 107 6.614 -16.857 0.207 599 2HA GLY 107 2HA GLY 107 6.781 -16.031 -1.363 600 H GLN 108 H GLN 108 6.764 -13.471 0.722 601 HA GLN 108 HA GLN 108 9.217 -14.120 2.178 602 1HB GLN 108 1HB GLN 108 9.864 -13.008 -0.004 603 2HB GLN 108 2HB GLN 108 9.014 -11.557 0.526 604 1HG GLN 108 1HG GLN 108 11.503 -11.497 0.776 605 2HG GLN 108 2HG GLN 108 10.647 -11.172 2.274 606 1HE2 GLN 108 1HE2 GLN 108 11.370 -12.318 4.049 607 2HE2 GLN 108 2HE2 GLN 108 12.256 -13.816 3.988 608 H GLN 109 H GLN 109 6.272 -13.654 2.659 609 HA GLN 109 HA GLN 109 4.767 -12.268 3.488 610 1HB GLN 109 1HB GLN 109 6.685 -12.530 5.817 611 2HB GLN 109 2HB GLN 109 5.042 -11.851 5.953 612 1HG GLN 109 1HG GLN 109 4.269 -14.024 4.770 613 2HG GLN 109 2HG GLN 109 5.869 -14.667 5.190 614 1HE2 GLN 109 1HE2 GLN 109 3.106 -12.863 6.999 615 2HE2 GLN 109 2HE2 GLN 109 3.156 -14.036 8.264 616 H ARG 110 H ARG 110 5.746 -10.828 1.721 617 HA ARG 110 HA ARG 110 6.586 -8.196 2.826 618 1HB ARG 110 1HB ARG 110 8.328 -9.587 1.707 619 2HB ARG 110 2HB ARG 110 7.435 -9.416 0.198 620 1HG ARG 110 1HG ARG 110 7.637 -6.905 0.451 621 2HG ARG 110 2HG ARG 110 8.720 -7.262 1.830 622 1HD ARG 110 1HD ARG 110 9.950 -8.826 0.151 623 2HD ARG 110 2HD ARG 110 9.106 -7.930 -1.103 624 HE ARG 110 HE ARG 110 10.839 -6.620 0.960 625 1HH1 ARG 110 2HH2 ARG 110 9.925 -6.768 -2.455 626 2HH1 ARG 110 1HH2 ARG 110 11.424 -6.255 -3.090 627 1HH2 ARG 110 2HH1 ARG 110 12.846 -5.716 0.173 628 2HH2 ARG 110 1HH1 ARG 110 13.112 -5.581 -1.516 629 H LEU 111 H LEU 111 4.856 -6.800 2.655 630 HA LEU 111 HA LEU 111 3.124 -7.060 0.270 631 1HB LEU 111 1HB LEU 111 1.791 -6.537 2.137 632 2HB LEU 111 2HB LEU 111 2.855 -5.232 2.655 633 HG LEU 111 HG LEU 111 2.201 -3.898 0.687 634 1HD1 LEU 111 1HD1 LEU 111 1.820 -5.655 -0.995 635 2HD1 LEU 111 2HD1 LEU 111 0.427 -6.270 -0.075 636 3HD1 LEU 111 3HD1 LEU 111 0.394 -4.658 -0.835 637 1HD2 LEU 111 1HD2 LEU 111 0.799 -3.827 2.743 638 2HD2 LEU 111 2HD2 LEU 111 -0.101 -3.461 1.285 639 3HD2 LEU 111 3HD2 LEU 111 -0.253 -5.072 2.047 640 H ASN 112 H ASN 112 4.527 -6.605 -1.350 641 HA ASN 112 HA ASN 112 6.447 -4.426 -1.372 642 1HB ASN 112 1HB ASN 112 5.104 -6.021 -3.590 643 2HB ASN 112 2HB ASN 112 6.349 -4.769 -3.853 644 1HD2 ASN 112 1HD2 ASN 112 5.762 -8.098 -2.801 645 2HD2 ASN 112 2HD2 ASN 112 7.465 -8.508 -2.863 646 H LEU 113 H LEU 113 6.049 -2.340 -1.863 647 HA LEU 113 HA LEU 113 3.386 -1.551 -2.835 648 1HB LEU 113 1HB LEU 113 3.940 -1.738 -0.191 649 2HB LEU 113 2HB LEU 113 4.537 -0.107 -0.437 650 HG LEU 113 HG LEU 113 2.216 -0.209 0.315 651 1HD1 LEU 113 1HD1 LEU 113 2.551 0.947 -2.452 652 2HD1 LEU 113 2HD1 LEU 113 1.262 1.395 -1.313 653 3HD1 LEU 113 3HD1 LEU 113 2.964 1.712 -0.913 654 1HD2 LEU 113 1HD2 LEU 113 1.602 -2.375 -0.896 655 2HD2 LEU 113 2HD2 LEU 113 0.379 -1.084 -0.930 656 3HD2 LEU 113 3HD2 LEU 113 1.375 -1.411 -2.336 657 H THR 114 H THR 114 4.289 -0.792 -4.835 658 HA THR 114 HA THR 114 6.793 0.826 -4.525 659 HB THR 114 HB THR 114 5.411 -0.300 -7.034 660 HG1 THR 114 1HG THR 114 6.806 -1.942 -6.903 661 1HG2 THR 114 1HG2 THR 114 6.793 1.635 -7.604 662 2HG2 THR 114 2HG2 THR 114 8.155 0.984 -6.663 663 3HG2 THR 114 3HG2 THR 114 7.600 0.156 -8.142 664 H ILE 115 H ILE 115 6.831 2.963 -5.432 665 HA ILE 115 HA ILE 115 4.371 4.199 -6.354 666 HB ILE 115 HB ILE 115 5.684 4.691 -3.671 667 1HG1 ILE 115 1HG1 ILE 115 2.835 4.556 -4.696 668 2HG1 ILE 115 2HG1 ILE 115 3.659 3.399 -3.621 669 1HG2 ILE 115 1HG2 ILE 115 4.195 6.894 -5.127 670 2HG2 ILE 115 2HG2 ILE 115 4.720 6.913 -3.426 671 3HG2 ILE 115 3HG2 ILE 115 5.919 6.853 -4.675 672 1HD1 ILE 115 1HD1 ILE 115 2.147 4.541 -2.278 673 2HD1 ILE 115 2HD1 ILE 115 3.730 5.233 -1.875 674 3HD1 ILE 115 3HD1 ILE 115 2.620 6.121 -2.946 675 HA PRO 116 HA PRO 116 7.661 6.445 -8.488 676 1HB PRO 116 1HB PRO 116 6.147 8.539 -9.429 677 2HB PRO 116 2HB PRO 116 6.181 6.925 -10.180 678 1HG PRO 116 1HG PRO 116 4.143 8.091 -8.295 679 2HG PRO 116 2HG PRO 116 3.848 7.122 -9.765 680 1HD PRO 116 1HD PRO 116 3.822 6.119 -7.186 681 2HD PRO 116 2HD PRO 116 4.297 5.100 -8.553 682 H GLN 117 H GLN 117 9.106 7.890 -7.552 683 HA GLN 117 HA GLN 117 8.691 9.120 -5.031 684 1HB GLN 117 1HB GLN 117 10.757 9.521 -7.185 685 2HB GLN 117 2HB GLN 117 10.793 10.464 -5.680 686 1HG GLN 117 1HG GLN 117 10.824 7.440 -5.739 687 2HG GLN 117 2HG GLN 117 12.291 8.464 -5.738 688 1HE2 GLN 117 1HE2 GLN 117 10.536 6.596 -3.745 689 2HE2 GLN 117 2HE2 GLN 117 10.960 7.374 -2.224 690 H ALA 118 H ALA 118 7.661 10.271 -8.122 691 HA ALA 118 HA ALA 118 7.456 13.067 -7.620 692 1HB ALA 118 1HB ALA 118 6.956 12.090 -9.800 693 2HB ALA 118 2HB ALA 118 5.591 11.178 -9.115 694 3HB ALA 118 3HB ALA 118 5.527 12.951 -9.192 695 H PHE 119 H PHE 119 5.660 10.341 -6.141 696 HA PHE 119 HA PHE 119 3.819 12.281 -4.802 697 1HB PHE 119 1HB PHE 119 3.669 9.340 -5.524 698 2HB PHE 119 2HB PHE 119 2.480 10.113 -4.480 699 HD1 PHE 119 1HD PHE 119 3.908 10.146 -7.943 700 HD2 PHE 119 2HD PHE 119 0.775 11.509 -5.374 701 HE1 PHE 119 1HE PHE 119 2.509 10.638 -9.913 702 HE2 PHE 119 2HE PHE 119 -0.730 11.817 -7.352 703 HZ PHE 119 HZ PHE 119 0.148 11.277 -9.635 704 H MET 120 H MET 120 6.565 11.924 -3.960 705 HA MET 120 HA MET 120 6.135 10.713 -1.285 706 1HB MET 120 1HB MET 120 8.613 10.551 -3.047 707 2HB MET 120 2HB MET 120 8.585 10.117 -1.327 708 1HG MET 120 1HG MET 120 6.986 8.814 -3.545 709 2HG MET 120 2HG MET 120 8.409 8.146 -2.725 710 1HE MET 120 1HE MET 120 7.776 8.903 0.370 711 2HE MET 120 2HE MET 120 7.074 7.344 0.847 712 3HE MET 120 3HE MET 120 8.481 7.389 -0.236 713 H SER 121 H SER 121 6.534 12.109 0.218 714 HA SER 121 HA SER 121 7.154 14.888 -0.478 715 1HB SER 121 1HB SER 121 5.385 14.088 1.151 716 2HB SER 121 2HB SER 121 6.689 13.765 2.294 717 HG SER 121 HG SER 121 5.799 15.863 2.551 718 H ASN 122 H ASN 122 9.228 13.369 -1.173 719 HA ASN 122 HA ASN 122 11.435 12.953 -1.114 720 1HB ASN 122 1HB ASN 122 11.148 15.842 -0.293 721 2HB ASN 122 2HB ASN 122 12.714 15.119 -0.752 722 1HD2 ASN 122 1HD2 ASN 122 10.085 16.800 -2.035 723 2HD2 ASN 122 2HD2 ASN 122 10.355 16.356 -3.716 724 H ARG 123 H ARG 123 10.295 11.923 1.251 725 HA ARG 123 HA ARG 123 12.752 11.872 2.961 726 1HB ARG 123 1HB ARG 123 9.824 12.074 3.727 727 2HB ARG 123 2HB ARG 123 10.970 11.240 4.796 728 1HG ARG 123 1HG ARG 123 11.567 14.030 3.816 729 2HG ARG 123 2HG ARG 123 10.484 13.753 5.207 730 1HD ARG 123 1HD ARG 123 12.151 12.903 6.540 731 2HD ARG 123 2HD ARG 123 13.038 12.255 5.148 732 HE ARG 123 HE ARG 123 12.932 15.181 5.672 733 1HH1 ARG 123 2HH2 ARG 123 14.890 12.221 5.198 734 2HH1 ARG 123 1HH2 ARG 123 16.407 13.024 5.277 735 1HH2 ARG 123 2HH1 ARG 123 14.913 16.196 5.977 736 2HH2 ARG 123 1HH1 ARG 123 16.440 15.377 5.861 737 H ALA 124 H ALA 124 9.795 10.218 1.946 738 HA ALA 124 HA ALA 124 9.017 8.158 2.220 739 1HB ALA 124 1HB ALA 124 11.847 7.217 1.796 740 2HB ALA 124 2HB ALA 124 10.362 6.252 1.634 741 3HB ALA 124 3HB ALA 124 10.683 7.594 0.497 742 H ARG 125 H ARG 125 9.034 9.491 4.367 743 HA ARG 125 HA ARG 125 9.483 7.553 6.450 744 1HB ARG 125 1HB ARG 125 10.451 10.394 6.625 745 2HB ARG 125 2HB ARG 125 10.014 9.413 8.047 746 1HG ARG 125 1HG ARG 125 11.779 7.853 7.626 747 2HG ARG 125 2HG ARG 125 12.090 8.566 6.011 748 1HD ARG 125 1HD ARG 125 13.736 9.308 7.754 749 2HD ARG 125 2HD ARG 125 12.778 10.545 6.855 750 HE ARG 125 HE ARG 125 11.970 11.314 8.830 751 1HH1 ARG 125 2HH2 ARG 125 13.050 7.975 9.544 752 2HH1 ARG 125 1HH2 ARG 125 12.540 8.042 11.191 753 1HH2 ARG 125 2HH1 ARG 125 11.263 11.355 10.958 754 2HH2 ARG 125 1HH1 ARG 125 11.690 10.091 12.051 Start of MODEL 5 1 1H GLY 25 H GLY 25 -5.259 -11.946 -13.077 2 1HA GLY 25 1HA GLY 25 -8.139 -11.400 -13.535 3 2HA GLY 25 2HA GLY 25 -7.414 -13.002 -13.608 4 H GLN 26 H GLN 26 -8.257 -14.121 -11.803 5 HA GLN 26 HA GLN 26 -7.918 -12.815 -9.174 6 1HB GLN 26 1HB GLN 26 -10.293 -12.648 -10.450 7 2HB GLN 26 2HB GLN 26 -10.518 -14.233 -9.710 8 1HG GLN 26 1HG GLN 26 -9.830 -11.635 -8.278 9 2HG GLN 26 2HG GLN 26 -11.422 -12.426 -8.300 10 1HE2 GLN 26 1HE2 GLN 26 -8.149 -12.454 -6.698 11 2HE2 GLN 26 2HE2 GLN 26 -8.833 -13.403 -5.428 12 H GLU 27 H GLU 27 -7.077 -14.171 -7.706 13 HA GLU 27 HA GLU 27 -7.519 -17.042 -7.731 14 1HB GLU 27 1HB GLU 27 -5.005 -17.401 -8.109 15 2HB GLU 27 2HB GLU 27 -6.060 -17.081 -9.503 16 1HG GLU 27 1HG GLU 27 -5.260 -14.679 -9.453 17 2HG GLU 27 2HG GLU 27 -4.117 -15.148 -8.178 18 HE2 GLU 27 HE GLU 27 -3.589 -16.697 -11.848 19 H LEU 28 H LEU 28 -7.633 -14.708 -5.875 20 HA LEU 28 HA LEU 28 -6.864 -16.384 -3.698 21 1HB LEU 28 1HB LEU 28 -5.593 -13.662 -3.943 22 2HB LEU 28 2HB LEU 28 -5.974 -14.353 -2.340 23 HG LEU 28 HG LEU 28 -3.997 -15.464 -4.369 24 1HD1 LEU 28 1HD1 LEU 28 -2.408 -14.942 -2.498 25 2HD1 LEU 28 2HD1 LEU 28 -3.138 -13.533 -3.247 26 3HD1 LEU 28 3HD1 LEU 28 -3.730 -14.094 -1.665 27 1HD2 LEU 28 1HD2 LEU 28 -4.840 -16.525 -1.621 28 2HD2 LEU 28 2HD2 LEU 28 -5.008 -17.356 -3.186 29 3HD2 LEU 28 3HD2 LEU 28 -3.404 -17.063 -2.540 30 HA PRO 29 HA PRO 29 -10.811 -14.417 -2.735 31 1HB PRO 29 1HB PRO 29 -11.524 -15.889 -0.543 32 2HB PRO 29 2HB PRO 29 -11.632 -16.511 -2.209 33 1HG PRO 29 1HG PRO 29 -9.465 -16.986 -0.162 34 2HG PRO 29 2HG PRO 29 -10.228 -18.182 -1.264 35 1HD PRO 29 1HD PRO 29 -7.794 -16.953 -1.745 36 2HD PRO 29 2HD PRO 29 -8.876 -17.487 -3.054 37 HA PRO 30 HA PRO 30 -9.287 -11.382 -0.097 38 1HB PRO 30 1HB PRO 30 -11.466 -10.102 0.907 39 2HB PRO 30 2HB PRO 30 -10.937 -10.058 -0.807 40 1HG PRO 30 1HG PRO 30 -13.085 -11.760 0.439 41 2HG PRO 30 2HG PRO 30 -13.119 -10.881 -1.130 42 1HD PRO 30 1HD PRO 30 -12.564 -13.576 -0.881 43 2HD PRO 30 2HD PRO 30 -11.918 -12.561 -2.188 44 H GLY 31 H GLY 31 -9.270 -10.365 2.289 45 1HA GLY 31 1HA GLY 31 -9.905 -11.848 4.578 46 2HA GLY 31 2HA GLY 31 -8.495 -12.625 3.847 47 H THR 32 H THR 32 -7.252 -12.003 5.773 48 HA THR 32 HA THR 32 -5.940 -9.467 5.177 49 HB THR 32 HB THR 32 -7.264 -8.973 7.211 50 HG1 THR 32 1HG THR 32 -5.507 -8.112 8.316 51 1HG2 THR 32 1HG2 THR 32 -5.611 -11.146 8.561 52 2HG2 THR 32 2HG2 THR 32 -6.719 -10.007 9.350 53 3HG2 THR 32 3HG2 THR 32 -7.352 -11.233 8.244 54 H TYR 33 H TYR 33 -3.642 -9.586 5.497 55 HA TYR 33 HA TYR 33 -2.604 -12.271 6.134 56 1HB TYR 33 1HB TYR 33 -0.920 -11.922 4.244 57 2HB TYR 33 2HB TYR 33 -2.533 -12.557 3.879 58 HD1 TYR 33 1HD TYR 33 -0.828 -9.151 3.952 59 HD2 TYR 33 2HD TYR 33 -3.255 -11.930 1.767 60 HE1 TYR 33 1HE TYR 33 -1.072 -7.526 2.136 61 HE2 TYR 33 2HE TYR 33 -3.564 -10.259 -0.006 62 HH TYR 33 HH TYR 33 -1.974 -7.944 -0.804 63 H ARG 34 H ARG 34 -0.764 -12.230 7.271 64 HA ARG 34 HA ARG 34 0.121 -9.673 8.414 65 1HB ARG 34 1HB ARG 34 -0.278 -11.547 9.874 66 2HB ARG 34 2HB ARG 34 0.771 -12.602 8.912 67 1HG ARG 34 1HG ARG 34 1.769 -11.867 11.045 68 2HG ARG 34 2HG ARG 34 2.748 -11.410 9.650 69 1HD ARG 34 1HD ARG 34 2.308 -9.133 9.945 70 2HD ARG 34 2HD ARG 34 0.760 -9.438 10.767 71 HE ARG 34 HE ARG 34 1.837 -9.785 12.776 72 1HH1 ARG 34 2HH2 ARG 34 4.338 -9.602 10.208 73 2HH1 ARG 34 1HH2 ARG 34 5.632 -9.736 11.321 74 1HH2 ARG 34 2HH1 ARG 34 3.640 -10.129 14.221 75 2HH2 ARG 34 1HH1 ARG 34 5.232 -9.862 13.588 76 H VAL 35 H VAL 35 1.744 -8.503 7.485 77 HA VAL 35 HA VAL 35 4.037 -9.801 6.277 78 HB VAL 35 HB VAL 35 3.608 -8.668 4.064 79 1HG1 VAL 35 1HG1 VAL 35 1.290 -10.516 4.405 80 2HG1 VAL 35 2HG1 VAL 35 2.402 -10.201 3.041 81 3HG1 VAL 35 3HG1 VAL 35 2.970 -11.084 4.446 82 1HG2 VAL 35 1HG2 VAL 35 1.993 -6.933 4.705 83 2HG2 VAL 35 2HG2 VAL 35 1.190 -8.030 3.551 84 3HG2 VAL 35 3HG2 VAL 35 0.830 -8.145 5.260 85 H ASP 36 H ASP 36 5.410 -8.200 5.210 86 HA ASP 36 HA ASP 36 5.590 -5.715 6.807 87 1HB ASP 36 1HB ASP 36 7.995 -5.872 5.839 88 2HB ASP 36 2HB ASP 36 7.524 -6.693 7.333 89 HD2 ASP 36 HD ASP 36 8.398 -9.745 6.119 90 H ILE 37 H ILE 37 5.132 -3.975 5.807 91 HA ILE 37 HA ILE 37 4.570 -3.699 2.952 92 HB ILE 37 HB ILE 37 4.638 -1.697 5.261 93 1HG1 ILE 37 1HG1 ILE 37 2.118 -1.654 4.759 94 2HG1 ILE 37 2HG1 ILE 37 2.355 -3.174 3.895 95 1HG2 ILE 37 1HG2 ILE 37 5.044 -0.590 3.071 96 2HG2 ILE 37 2HG2 ILE 37 3.577 -1.362 2.424 97 3HG2 ILE 37 3HG2 ILE 37 3.474 -0.158 3.732 98 1HD1 ILE 37 1HD1 ILE 37 2.923 -4.324 5.973 99 2HD1 ILE 37 2HD1 ILE 37 2.983 -2.779 6.851 100 3HD1 ILE 37 3HD1 ILE 37 1.451 -3.390 6.225 101 H TYR 38 H TYR 38 6.244 -3.679 1.626 102 HA TYR 38 HA TYR 38 8.802 -2.360 2.459 103 1HB TYR 38 1HB TYR 38 8.205 -4.919 1.112 104 2HB TYR 38 2HB TYR 38 9.485 -3.931 0.378 105 HD1 TYR 38 1HD TYR 38 11.650 -4.389 1.001 106 HD2 TYR 38 2HD TYR 38 8.470 -5.081 3.809 107 HE1 TYR 38 1HE TYR 38 13.299 -5.145 2.649 108 HE2 TYR 38 2HE TYR 38 10.136 -5.749 5.534 109 HH TYR 38 HH TYR 38 12.318 -6.168 5.970 110 H LEU 39 H LEU 39 8.006 -0.333 1.882 111 HA LEU 39 HA LEU 39 7.035 0.127 -0.841 112 1HB LEU 39 1HB LEU 39 6.118 1.461 1.026 113 2HB LEU 39 2HB LEU 39 7.768 2.031 1.405 114 HG LEU 39 HG LEU 39 7.849 3.089 -0.891 115 1HD1 LEU 39 1HD1 LEU 39 4.855 2.540 -0.843 116 2HD1 LEU 39 2HD1 LEU 39 5.776 3.433 -2.073 117 3HD1 LEU 39 3HD1 LEU 39 6.007 1.705 -1.925 118 1HD2 LEU 39 1HD2 LEU 39 5.630 4.029 0.940 119 2HD2 LEU 39 2HD2 LEU 39 7.358 4.424 1.079 120 3HD2 LEU 39 3HD2 LEU 39 6.441 4.986 -0.327 121 H ASN 40 H ASN 40 8.243 0.544 -2.507 122 HA ASN 40 HA ASN 40 10.034 0.925 -3.831 123 1HB ASN 40 1HB ASN 40 10.609 3.163 -1.869 124 2HB ASN 40 2HB ASN 40 11.213 3.014 -3.549 125 1HD2 ASN 40 1HD2 ASN 40 9.374 5.097 -2.164 126 2HD2 ASN 40 2HD2 ASN 40 8.059 5.180 -3.315 127 H ASN 41 H ASN 41 10.292 -1.081 -2.071 128 HA ASN 41 HA ASN 41 11.672 -2.540 -1.050 129 1HB ASN 41 1HB ASN 41 13.304 -1.433 -3.301 130 2HB ASN 41 2HB ASN 41 14.026 -2.595 -2.155 131 1HD2 ASN 41 1HD2 ASN 41 10.999 -2.251 -4.234 132 2HD2 ASN 41 2HD2 ASN 41 10.916 -3.960 -4.496 133 H GLY 42 H GLY 42 11.217 -0.344 0.513 134 1HA GLY 42 1HA GLY 42 13.521 -0.530 2.336 135 2HA GLY 42 2HA GLY 42 13.047 1.055 1.741 136 H TYR 43 H TYR 43 11.517 -1.867 2.954 137 HA TYR 43 HA TYR 43 9.682 -2.108 4.523 138 1HB TYR 43 1HB TYR 43 11.864 -3.021 4.990 139 2HB TYR 43 2HB TYR 43 12.447 -1.445 5.570 140 HD1 TYR 43 1HD TYR 43 9.119 -2.876 6.631 141 HD2 TYR 43 2HD TYR 43 13.275 -2.226 7.623 142 HE1 TYR 43 1HE TYR 43 8.600 -3.188 9.001 143 HE2 TYR 43 2HE TYR 43 12.772 -2.649 9.993 144 HH TYR 43 HH TYR 43 9.727 -3.806 11.191 145 H MET 44 H MET 44 8.048 -0.867 5.087 146 HA MET 44 HA MET 44 8.496 1.743 6.477 147 1HB MET 44 1HB MET 44 6.215 0.611 4.808 148 2HB MET 44 2HB MET 44 6.075 2.119 5.742 149 1HG MET 44 1HG MET 44 8.231 1.643 3.661 150 2HG MET 44 2HG MET 44 6.661 2.397 3.308 151 1HE MET 44 1HE MET 44 10.021 3.167 3.432 152 2HE MET 44 2HE MET 44 9.069 4.339 2.504 153 3HE MET 44 3HE MET 44 10.065 4.869 3.882 154 H ALA 45 H ALA 45 6.541 -1.310 6.651 155 HA ALA 45 HA ALA 45 5.869 -0.856 9.458 156 1HB ALA 45 1HB ALA 45 4.204 0.586 8.414 157 2HB ALA 45 2HB ALA 45 3.805 -0.650 7.214 158 3HB ALA 45 3HB ALA 45 3.402 -0.909 8.927 159 H THR 46 H THR 46 4.806 -2.726 10.365 160 HA THR 46 HA THR 46 4.699 -5.141 8.653 161 HB THR 46 HB THR 46 6.355 -4.912 11.195 162 HG1 THR 46 1HG THR 46 7.943 -5.732 9.582 163 1HG2 THR 46 1HG2 THR 46 5.716 -7.331 9.446 164 2HG2 THR 46 2HG2 THR 46 6.902 -7.292 10.782 165 3HG2 THR 46 3HG2 THR 46 5.192 -7.068 11.132 166 H ARG 47 H ARG 47 2.692 -5.916 8.900 167 HA ARG 47 HA ARG 47 1.407 -6.266 11.434 168 1HB ARG 47 1HB ARG 47 -0.543 -4.656 10.545 169 2HB ARG 47 2HB ARG 47 0.707 -4.157 11.693 170 1HG ARG 47 1HG ARG 47 1.781 -2.807 10.100 171 2HG ARG 47 2HG ARG 47 1.107 -3.668 8.713 172 1HD ARG 47 1HD ARG 47 -0.004 -1.520 8.908 173 2HD ARG 47 2HD ARG 47 -1.170 -2.791 9.331 174 HE ARG 47 HE ARG 47 -1.181 -2.094 11.521 175 1HH1 ARG 47 2HH2 ARG 47 0.813 0.094 9.623 176 2HH1 ARG 47 1HH2 ARG 47 1.593 0.869 10.909 177 1HH2 ARG 47 2HH1 ARG 47 -0.294 -0.930 13.398 178 2HH2 ARG 47 1HH1 ARG 47 0.727 0.443 13.095 179 H ASP 48 H ASP 48 -1.116 -6.576 10.855 180 HA ASP 48 HA ASP 48 -1.363 -8.325 8.525 181 1HB ASP 48 1HB ASP 48 -3.427 -8.920 9.356 182 2HB ASP 48 2HB ASP 48 -2.419 -8.696 10.808 183 HD2 ASP 48 HD ASP 48 -4.297 -5.990 11.879 184 H VAL 49 H VAL 49 -2.717 -7.778 6.784 185 HA VAL 49 HA VAL 49 -3.474 -4.952 6.432 186 HB VAL 49 HB VAL 49 -1.921 -6.380 4.256 187 1HG1 VAL 49 1HG1 VAL 49 -3.206 -4.314 3.701 188 2HG1 VAL 49 2HG1 VAL 49 -2.307 -3.425 4.947 189 3HG1 VAL 49 3HG1 VAL 49 -1.443 -4.055 3.540 190 1HG2 VAL 49 1HG2 VAL 49 0.100 -5.138 4.883 191 2HG2 VAL 49 2HG2 VAL 49 -0.691 -4.603 6.385 192 3HG2 VAL 49 3HG2 VAL 49 -0.327 -6.322 6.117 193 H THR 50 H THR 50 -5.621 -5.487 6.601 194 HA THR 50 HA THR 50 -6.834 -7.654 5.343 195 HB THR 50 HB THR 50 -8.125 -5.031 6.130 196 HG1 THR 50 1HG THR 50 -8.263 -6.066 8.185 197 1HG2 THR 50 1HG2 THR 50 -9.558 -6.690 4.901 198 2HG2 THR 50 2HG2 THR 50 -9.152 -7.911 6.121 199 3HG2 THR 50 3HG2 THR 50 -10.078 -6.470 6.586 200 H PHE 51 H PHE 51 -6.545 -8.016 3.115 201 HA PHE 51 HA PHE 51 -6.972 -5.890 1.238 202 1HB PHE 51 1HB PHE 51 -6.588 -7.826 -0.299 203 2HB PHE 51 2HB PHE 51 -5.248 -7.525 0.815 204 HD1 PHE 51 1HD PHE 51 -7.597 -9.922 -0.445 205 HD2 PHE 51 2HD PHE 51 -5.033 -9.073 2.921 206 HE1 PHE 51 1HE PHE 51 -7.383 -12.337 0.039 207 HE2 PHE 51 2HE PHE 51 -5.030 -11.514 3.459 208 HZ PHE 51 HZ PHE 51 -6.188 -13.122 2.056 209 H ASN 52 H ASN 52 -8.502 -6.179 -0.436 210 HA ASN 52 HA ASN 52 -11.079 -7.381 0.471 211 1HB ASN 52 1HB ASN 52 -10.461 -4.567 -0.476 212 2HB ASN 52 2HB ASN 52 -12.085 -5.281 -0.652 213 1HD2 ASN 52 1HD2 ASN 52 -9.574 -4.831 1.986 214 2HD2 ASN 52 2HD2 ASN 52 -10.744 -4.412 3.190 215 H THR 53 H THR 53 -12.619 -7.528 -1.473 216 HA THR 53 HA THR 53 -11.458 -8.821 -3.673 217 HB THR 53 HB THR 53 -14.067 -7.332 -3.918 218 HG1 THR 53 1HG THR 53 -14.987 -9.142 -2.707 219 1HG2 THR 53 1HG2 THR 53 -13.214 -10.220 -4.425 220 2HG2 THR 53 2HG2 THR 53 -14.782 -9.508 -4.852 221 3HG2 THR 53 3HG2 THR 53 -13.309 -8.938 -5.659 222 H GLY 54 H GLY 54 -10.462 -7.961 -5.516 223 1HA GLY 54 1HA GLY 54 -10.479 -5.009 -5.905 224 2HA GLY 54 2HA GLY 54 -8.979 -5.886 -5.565 225 H ASP 55 H ASP 55 -8.076 -5.381 -7.572 226 HA ASP 55 HA ASP 55 -8.452 -7.533 -9.388 227 1HB ASP 55 1HB ASP 55 -9.897 -5.648 -10.415 228 2HB ASP 55 2HB ASP 55 -8.361 -4.742 -10.561 229 HD2 ASP 55 HD ASP 55 -8.437 -8.069 -12.751 230 H SER 56 H SER 56 -6.275 -7.973 -10.117 231 HA SER 56 HA SER 56 -4.203 -6.364 -10.558 232 1HB SER 56 1HB SER 56 -4.184 -7.263 -7.638 233 2HB SER 56 2HB SER 56 -2.666 -6.933 -8.516 234 HG SER 56 HG SER 56 -4.810 -5.147 -8.387 235 H GLU 57 H GLU 57 -2.008 -8.143 -9.943 236 HA GLU 57 HA GLU 57 -2.343 -10.381 -11.511 237 1HB GLU 57 1HB GLU 57 -0.558 -10.124 -9.064 238 2HB GLU 57 2HB GLU 57 -0.450 -11.360 -10.359 239 1HG GLU 57 1HG GLU 57 -0.148 -9.509 -12.016 240 2HG GLU 57 2HG GLU 57 -0.068 -8.354 -10.677 241 HE2 GLU 57 HE GLU 57 2.998 -10.927 -10.889 242 H GLN 58 H GLN 58 -2.532 -10.324 -7.912 243 HA GLN 58 HA GLN 58 -3.631 -12.982 -7.744 244 1HB GLN 58 1HB GLN 58 -3.747 -10.759 -5.698 245 2HB GLN 58 2HB GLN 58 -3.762 -12.499 -5.388 246 1HG GLN 58 1HG GLN 58 -1.515 -12.552 -5.290 247 2HG GLN 58 2HG GLN 58 -1.295 -11.724 -6.824 248 1HE2 GLN 58 1HE2 GLN 58 -1.783 -11.276 -3.341 249 2HE2 GLN 58 2HE2 GLN 58 -1.490 -9.532 -3.323 250 H GLY 59 H GLY 59 -5.179 -10.083 -8.651 251 1HA GLY 59 1HA GLY 59 -7.383 -9.546 -8.932 252 2HA GLY 59 2HA GLY 59 -7.866 -11.032 -8.153 253 H ILE 60 H ILE 60 -5.872 -9.602 -5.882 254 HA ILE 60 HA ILE 60 -8.159 -8.279 -4.501 255 HB ILE 60 HB ILE 60 -6.939 -9.157 -2.346 256 1HG1 ILE 60 1HG1 ILE 60 -6.038 -11.334 -4.279 257 2HG1 ILE 60 2HG1 ILE 60 -4.950 -10.032 -3.737 258 1HG2 ILE 60 1HG2 ILE 60 -8.489 -11.043 -4.190 259 2HG2 ILE 60 2HG2 ILE 60 -8.339 -11.227 -2.430 260 3HG2 ILE 60 3HG2 ILE 60 -9.204 -9.844 -3.093 261 1HD1 ILE 60 1HD1 ILE 60 -6.286 -12.105 -1.970 262 2HD1 ILE 60 2HD1 ILE 60 -4.571 -11.987 -2.400 263 3HD1 ILE 60 3HD1 ILE 60 -5.288 -10.738 -1.398 264 H VAL 61 H VAL 61 -7.451 -6.624 -2.959 265 HA VAL 61 HA VAL 61 -4.674 -5.788 -3.306 266 HB VAL 61 HB VAL 61 -5.216 -3.511 -3.796 267 1HG1 VAL 61 1HG1 VAL 61 -6.578 -5.244 -5.868 268 2HG1 VAL 61 2HG1 VAL 61 -5.875 -3.632 -6.102 269 3HG1 VAL 61 3HG1 VAL 61 -4.826 -5.000 -5.697 270 1HG2 VAL 61 1HG2 VAL 61 -7.400 -3.205 -2.793 271 2HG2 VAL 61 2HG2 VAL 61 -7.539 -2.836 -4.522 272 3HG2 VAL 61 3HG2 VAL 61 -8.137 -4.381 -3.900 273 HA PRO 62 HA PRO 62 -5.091 -5.204 1.119 274 1HB PRO 62 1HB PRO 62 -3.091 -3.431 1.590 275 2HB PRO 62 2HB PRO 62 -2.879 -5.183 1.299 276 1HG PRO 62 1HG PRO 62 -2.527 -2.901 -0.623 277 2HG PRO 62 2HG PRO 62 -1.541 -4.391 -0.434 278 1HD PRO 62 1HD PRO 62 -3.414 -4.050 -2.406 279 2HD PRO 62 2HD PRO 62 -3.029 -5.643 -1.713 280 H CYS 63 H CYS 63 -5.971 -3.747 2.665 281 HA CYS 63 HA CYS 63 -7.039 -1.155 1.802 282 1HB CYS 63 1HB CYS 63 -8.248 -2.451 3.470 283 2HB CYS 63 2HB CYS 63 -6.810 -2.520 4.515 284 HG CYS 63 HG CYS 63 -8.581 -0.913 5.564 285 H LEU 64 H LEU 64 -5.757 0.664 1.783 286 HA LEU 64 HA LEU 64 -3.709 0.998 3.855 287 1HB LEU 64 1HB LEU 64 -3.224 1.895 1.014 288 2HB LEU 64 2HB LEU 64 -2.155 2.021 2.439 289 HG LEU 64 HG LEU 64 -2.530 -0.762 2.020 290 1HD1 LEU 64 1HD1 LEU 64 -3.309 -0.371 -0.262 291 2HD1 LEU 64 2HD1 LEU 64 -1.984 0.778 -0.561 292 3HD1 LEU 64 3HD1 LEU 64 -1.633 -0.936 -0.371 293 1HD2 LEU 64 1HD2 LEU 64 -0.465 0.429 2.816 294 2HD2 LEU 64 2HD2 LEU 64 -0.159 -0.755 1.538 295 3HD2 LEU 64 3HD2 LEU 64 -0.209 0.973 1.134 296 H THR 65 H THR 65 -3.700 3.162 4.498 297 HA THR 65 HA THR 65 -6.267 4.556 4.191 298 HB THR 65 HB THR 65 -6.497 4.274 6.498 299 HG1 THR 65 1HG THR 65 -5.100 4.573 7.867 300 1HG2 THR 65 1HG2 THR 65 -5.647 1.967 7.133 301 2HG2 THR 65 2HG2 THR 65 -6.153 1.960 5.410 302 3HG2 THR 65 3HG2 THR 65 -4.434 2.087 5.818 303 H ARG 66 H ARG 66 -6.227 6.967 4.790 304 HA ARG 66 HA ARG 66 -3.927 8.173 3.838 305 1HB ARG 66 1HB ARG 66 -6.213 9.253 4.348 306 2HB ARG 66 2HB ARG 66 -5.594 9.581 5.972 307 1HG ARG 66 1HG ARG 66 -4.016 11.106 5.208 308 2HG ARG 66 2HG ARG 66 -3.847 10.264 3.630 309 1HD ARG 66 1HD ARG 66 -5.102 11.769 2.675 310 2HD ARG 66 2HD ARG 66 -6.451 11.176 3.653 311 HE ARG 66 HE ARG 66 -4.628 13.468 4.277 312 1HH1 ARG 66 2HH2 ARG 66 -7.849 11.988 4.899 313 2HH1 ARG 66 1HH2 ARG 66 -8.282 13.288 5.953 314 1HH2 ARG 66 2HH1 ARG 66 -5.311 15.111 5.544 315 2HH2 ARG 66 1HH1 ARG 66 -6.883 15.148 6.252 316 H ALA 67 H ALA 67 -4.505 7.167 7.029 317 HA ALA 67 HA ALA 67 -2.199 8.468 8.190 318 1HB ALA 67 1HB ALA 67 -3.805 6.098 9.237 319 2HB ALA 67 2HB ALA 67 -2.301 6.639 9.999 320 3HB ALA 67 3HB ALA 67 -3.655 7.753 9.914 321 H GLN 68 H GLN 68 -2.759 5.067 7.057 322 HA GLN 68 HA GLN 68 -0.203 3.975 7.687 323 1HB GLN 68 1HB GLN 68 -2.497 3.377 5.819 324 2HB GLN 68 2HB GLN 68 -1.036 2.422 5.623 325 1HG GLN 68 1HG GLN 68 -2.027 2.719 8.439 326 2HG GLN 68 2HG GLN 68 -3.082 1.798 7.348 327 1HE2 GLN 68 1HE2 GLN 68 -2.613 -0.300 6.815 328 2HE2 GLN 68 2HE2 GLN 68 -1.044 -1.018 7.061 329 H LEU 69 H LEU 69 -1.522 5.581 4.894 330 HA LEU 69 HA LEU 69 0.745 5.586 3.179 331 1HB LEU 69 1HB LEU 69 -1.787 7.237 3.478 332 2HB LEU 69 2HB LEU 69 -0.534 7.581 2.237 333 HG LEU 69 HG LEU 69 -0.759 4.992 1.855 334 1HD1 LEU 69 1HD1 LEU 69 -2.614 3.985 1.624 335 2HD1 LEU 69 2HD1 LEU 69 -2.099 4.229 3.296 336 3HD1 LEU 69 3HD1 LEU 69 -3.477 5.202 2.540 337 1HD2 LEU 69 1HD2 LEU 69 -2.945 7.114 1.156 338 2HD2 LEU 69 2HD2 LEU 69 -1.520 6.896 0.117 339 3HD2 LEU 69 3HD2 LEU 69 -2.790 5.670 0.160 340 H ALA 70 H ALA 70 -0.522 8.420 5.075 341 HA ALA 70 HA ALA 70 1.815 9.962 4.447 342 1HB ALA 70 1HB ALA 70 -0.381 10.922 5.047 343 2HB ALA 70 2HB ALA 70 -0.201 10.302 6.709 344 3HB ALA 70 3HB ALA 70 0.924 11.537 6.095 345 H SER 71 H SER 71 1.449 7.297 6.453 346 HA SER 71 HA SER 71 3.420 7.976 8.513 347 1HB SER 71 1HB SER 71 1.660 6.293 8.843 348 2HB SER 71 2HB SER 71 2.384 5.269 7.610 349 HG SER 71 HG SER 71 4.308 5.214 8.936 350 H MET 72 H MET 72 3.293 6.067 5.430 351 HA MET 72 HA MET 72 6.037 5.413 5.298 352 1HB MET 72 1HB MET 72 4.475 5.918 2.795 353 2HB MET 72 2HB MET 72 5.645 4.645 3.135 354 1HG MET 72 1HG MET 72 3.759 3.880 4.855 355 2HG MET 72 2HG MET 72 2.767 4.890 3.752 356 1HE MET 72 1HE MET 72 1.241 2.690 3.609 357 2HE MET 72 2HE MET 72 1.310 3.808 2.243 358 3HE MET 72 3HE MET 72 1.365 2.065 1.943 359 H GLY 73 H GLY 73 4.564 8.483 4.900 360 1HA GLY 73 1HA GLY 73 5.660 10.536 4.408 361 2HA GLY 73 2HA GLY 73 6.992 9.651 3.638 362 H LEU 74 H LEU 74 3.638 8.609 3.013 363 HA LEU 74 HA LEU 74 3.795 9.091 0.225 364 1HB LEU 74 1HB LEU 74 2.372 7.432 1.333 365 2HB LEU 74 2HB LEU 74 1.443 8.744 2.089 366 HG LEU 74 HG LEU 74 0.504 7.485 0.068 367 1HD1 LEU 74 1HD1 LEU 74 -0.851 9.154 0.794 368 2HD1 LEU 74 2HD1 LEU 74 0.376 10.376 0.723 369 3HD1 LEU 74 3HD1 LEU 74 -0.405 9.855 -0.774 370 1HD2 LEU 74 1HD2 LEU 74 0.971 8.102 -2.094 371 2HD2 LEU 74 2HD2 LEU 74 1.876 9.529 -1.601 372 3HD2 LEU 74 3HD2 LEU 74 2.578 7.936 -1.362 373 H ASN 75 H ASN 75 3.008 10.874 -0.914 374 HA ASN 75 HA ASN 75 2.616 13.388 0.616 375 1HB ASN 75 1HB ASN 75 4.196 13.024 -1.376 376 2HB ASN 75 2HB ASN 75 2.786 13.093 -2.409 377 1HD2 ASN 75 1HD2 ASN 75 5.176 14.895 -1.966 378 2HD2 ASN 75 2HD2 ASN 75 4.541 16.459 -1.529 379 H THR 76 H THR 76 0.281 12.866 1.444 380 HA THR 76 HA THR 76 -1.750 12.113 -0.307 381 HB THR 76 HB THR 76 -3.191 13.062 1.500 382 HG1 THR 76 1HG THR 76 -2.224 14.224 3.131 383 1HG2 THR 76 1HG2 THR 76 -2.298 10.818 1.777 384 2HG2 THR 76 2HG2 THR 76 -0.760 11.442 2.423 385 3HG2 THR 76 3HG2 THR 76 -2.231 11.666 3.349 386 H ALA 77 H ALA 77 -0.081 15.157 -0.155 387 HA ALA 77 HA ALA 77 -2.346 16.693 -1.227 388 1HB ALA 77 1HB ALA 77 0.487 17.637 -0.793 389 2HB ALA 77 2HB ALA 77 -1.056 18.541 -0.739 390 3HB ALA 77 3HB ALA 77 -0.642 17.454 0.589 391 H SER 78 H SER 78 0.443 14.899 -2.456 392 HA SER 78 HA SER 78 0.699 16.436 -4.903 393 1HB SER 78 1HB SER 78 1.509 13.624 -4.150 394 2HB SER 78 2HB SER 78 1.687 14.306 -5.795 395 HG SER 78 HG SER 78 3.581 14.598 -4.773 396 H VAL 79 H VAL 79 -1.653 13.927 -3.719 397 HA VAL 79 HA VAL 79 -2.437 13.320 -6.476 398 HB VAL 79 HB VAL 79 -3.350 12.276 -3.769 399 1HG1 VAL 79 1HG1 VAL 79 -5.039 11.893 -5.569 400 2HG1 VAL 79 2HG1 VAL 79 -3.787 11.133 -6.582 401 3HG1 VAL 79 3HG1 VAL 79 -4.286 10.382 -5.059 402 1HG2 VAL 79 1HG2 VAL 79 -1.896 10.465 -3.923 403 2HG2 VAL 79 2HG2 VAL 79 -1.664 10.676 -5.662 404 3HG2 VAL 79 3HG2 VAL 79 -0.882 11.774 -4.533 405 H ALA 80 H ALA 80 -3.923 14.658 -7.362 406 HA ALA 80 HA ALA 80 -5.813 16.275 -5.939 407 1HB ALA 80 1HB ALA 80 -5.863 15.045 -8.722 408 2HB ALA 80 2HB ALA 80 -6.985 16.290 -8.125 409 3HB ALA 80 3HB ALA 80 -5.249 16.655 -8.281 410 H GLY 81 H GLY 81 -6.992 15.309 -4.396 411 1HA GLY 81 1HA GLY 81 -8.985 14.204 -3.816 412 2HA GLY 81 2HA GLY 81 -8.855 13.160 -5.193 413 H MET 82 H MET 82 -6.335 13.740 -2.648 414 HA MET 82 HA MET 82 -7.047 11.011 -1.593 415 1HB MET 82 1HB MET 82 -4.793 11.005 -2.647 416 2HB MET 82 2HB MET 82 -4.268 12.213 -1.467 417 1HG MET 82 1HG MET 82 -4.746 10.725 0.371 418 2HG MET 82 2HG MET 82 -5.514 9.556 -0.691 419 1HE MET 82 1HE MET 82 -4.023 7.731 -2.214 420 2HE MET 82 2HE MET 82 -3.646 9.197 -3.139 421 3HE MET 82 3HE MET 82 -2.341 8.102 -2.629 422 H ASN 83 H ASN 83 -6.026 14.281 -0.850 423 HA ASN 83 HA ASN 83 -6.004 14.121 1.963 424 1HB ASN 83 1HB ASN 83 -6.040 16.621 1.733 425 2HB ASN 83 2HB ASN 83 -4.764 15.808 0.808 426 1HD2 ASN 83 1HD2 ASN 83 -6.928 18.317 0.640 427 2HD2 ASN 83 2HD2 ASN 83 -7.197 18.320 -1.095 428 H LEU 84 H LEU 84 -8.616 13.323 0.397 429 HA LEU 84 HA LEU 84 -10.510 14.607 2.235 430 1HB LEU 84 1HB LEU 84 -12.168 14.196 0.291 431 2HB LEU 84 2HB LEU 84 -11.229 15.689 0.443 432 HG LEU 84 HG LEU 84 -11.450 14.827 -1.849 433 1HD1 LEU 84 1HD1 LEU 84 -9.316 16.032 -0.684 434 2HD1 LEU 84 2HD1 LEU 84 -8.526 14.656 -1.461 435 3HD1 LEU 84 3HD1 LEU 84 -9.500 15.782 -2.426 436 1HD2 LEU 84 1HD2 LEU 84 -10.388 12.844 -2.640 437 2HD2 LEU 84 2HD2 LEU 84 -9.550 12.554 -1.104 438 3HD2 LEU 84 3HD2 LEU 84 -11.313 12.367 -1.236 439 H LEU 85 H LEU 85 -8.999 11.688 1.575 440 HA LEU 85 HA LEU 85 -11.359 9.980 2.148 441 1HB LEU 85 1HB LEU 85 -8.465 9.565 1.347 442 2HB LEU 85 2HB LEU 85 -9.373 8.241 2.100 443 HG LEU 85 HG LEU 85 -10.660 9.671 -0.222 444 1HD1 LEU 85 1HD1 LEU 85 -8.304 9.379 -0.878 445 2HD1 LEU 85 2HD1 LEU 85 -8.456 7.625 -0.582 446 3HD1 LEU 85 3HD1 LEU 85 -9.415 8.414 -1.856 447 1HD2 LEU 85 1HD2 LEU 85 -11.869 7.859 0.889 448 2HD2 LEU 85 2HD2 LEU 85 -11.350 7.303 -0.715 449 3HD2 LEU 85 3HD2 LEU 85 -10.470 6.757 0.710 450 H ALA 86 H ALA 86 -11.132 8.476 4.000 451 HA ALA 86 HA ALA 86 -10.180 9.786 6.379 452 1HB ALA 86 1HB ALA 86 -12.151 8.327 6.351 453 2HB ALA 86 2HB ALA 86 -11.119 6.918 5.996 454 3HB ALA 86 3HB ALA 86 -10.957 7.761 7.526 455 H ASP 87 H ASP 87 -8.863 8.751 7.948 456 HA ASP 87 HA ASP 87 -6.318 7.631 7.032 457 1HB ASP 87 1HB ASP 87 -5.612 8.215 9.251 458 2HB ASP 87 2HB ASP 87 -6.635 9.557 8.701 459 HD2 ASP 87 HD ASP 87 -7.724 7.613 11.904 460 H ASP 88 H ASP 88 -9.218 6.416 7.685 461 HA ASP 88 HA ASP 88 -8.144 3.727 7.795 462 1HB ASP 88 1HB ASP 88 -8.518 3.935 10.139 463 2HB ASP 88 2HB ASP 88 -10.086 4.716 9.894 464 HD2 ASP 88 HD ASP 88 -11.456 1.536 10.130 465 H ALA 89 H ALA 89 -8.676 4.493 5.604 466 HA ALA 89 HA ALA 89 -11.278 3.426 4.903 467 1HB ALA 89 1HB ALA 89 -11.751 5.708 4.335 468 2HB ALA 89 2HB ALA 89 -10.102 5.990 3.710 469 3HB ALA 89 3HB ALA 89 -11.237 4.955 2.825 470 H CYS 90 H CYS 90 -11.101 2.231 2.925 471 HA CYS 90 HA CYS 90 -8.399 1.465 2.029 472 1HB CYS 90 1HB CYS 90 -11.189 1.011 0.918 473 2HB CYS 90 2HB CYS 90 -9.701 0.456 0.106 474 HG CYS 90 HG CYS 90 -10.928 -1.577 1.173 475 H VAL 91 H VAL 91 -7.374 3.336 1.489 476 HA VAL 91 HA VAL 91 -8.354 5.211 -0.523 477 HB VAL 91 HB VAL 91 -5.544 4.588 0.538 478 1HG1 VAL 91 1HG1 VAL 91 -4.935 6.814 -0.367 479 2HG1 VAL 91 2HG1 VAL 91 -5.327 5.629 -1.618 480 3HG1 VAL 91 3HG1 VAL 91 -6.499 6.886 -1.202 481 1HG2 VAL 91 1HG2 VAL 91 -7.419 6.876 1.292 482 2HG2 VAL 91 2HG2 VAL 91 -7.023 5.495 2.315 483 3HG2 VAL 91 3HG2 VAL 91 -5.754 6.637 1.870 484 HA PRO 92 HA PRO 92 -7.165 2.068 -3.652 485 1HB PRO 92 1HB PRO 92 -7.986 3.325 -5.905 486 2HB PRO 92 2HB PRO 92 -9.151 2.649 -4.736 487 1HG PRO 92 1HG PRO 92 -8.189 5.511 -5.004 488 2HG PRO 92 2HG PRO 92 -9.874 4.935 -4.813 489 1HD PRO 92 1HD PRO 92 -8.303 5.866 -2.728 490 2HD PRO 92 2HD PRO 92 -9.604 4.665 -2.513 491 H LEU 93 H LEU 93 -4.993 2.865 -2.678 492 HA LEU 93 HA LEU 93 -3.642 5.149 -3.698 493 1HB LEU 93 1HB LEU 93 -3.064 3.752 -1.641 494 2HB LEU 93 2HB LEU 93 -2.252 2.615 -2.723 495 HG LEU 93 HG LEU 93 -1.541 5.548 -2.645 496 1HD1 LEU 93 1HD1 LEU 93 -1.284 4.181 -0.417 497 2HD1 LEU 93 2HD1 LEU 93 0.024 3.361 -1.235 498 3HD1 LEU 93 3HD1 LEU 93 0.085 5.129 -1.026 499 1HD2 LEU 93 1HD2 LEU 93 -0.676 4.122 -4.608 500 2HD2 LEU 93 2HD2 LEU 93 0.554 4.852 -3.629 501 3HD2 LEU 93 3HD2 LEU 93 0.165 3.126 -3.444 502 H THR 94 H THR 94 -3.662 1.700 -4.812 503 HA THR 94 HA THR 94 -1.672 2.217 -6.823 504 HB THR 94 HB THR 94 -2.251 -0.059 -7.597 505 HG1 THR 94 1HG THR 94 -3.799 -1.167 -6.764 506 1HG2 THR 94 1HG2 THR 94 -1.493 -1.235 -5.625 507 2HG2 THR 94 2HG2 THR 94 -0.688 0.345 -5.630 508 3HG2 THR 94 3HG2 THR 94 -2.055 0.052 -4.547 509 H THR 95 H THR 95 -5.015 3.113 -6.828 510 HA THR 95 HA THR 95 -5.069 3.260 -9.788 511 HB THR 95 HB THR 95 -7.221 4.140 -7.858 512 HG1 THR 95 1HG THR 95 -6.776 1.470 -8.765 513 1HG2 THR 95 1HG2 THR 95 -8.728 3.492 -9.692 514 2HG2 THR 95 2HG2 THR 95 -7.536 4.685 -10.233 515 3HG2 THR 95 3HG2 THR 95 -7.333 2.977 -10.668 516 H MET 96 H MET 96 -5.107 5.220 -6.818 517 HA MET 96 HA MET 96 -5.402 7.710 -8.230 518 1HB MET 96 1HB MET 96 -5.343 6.720 -5.448 519 2HB MET 96 2HB MET 96 -4.648 8.341 -5.639 520 1HG MET 96 1HG MET 96 -6.613 9.230 -6.530 521 2HG MET 96 2HG MET 96 -7.277 7.642 -6.951 522 1HE MET 96 1HE MET 96 -6.056 9.698 -3.850 523 2HE MET 96 2HE MET 96 -7.001 8.944 -2.549 524 3HE MET 96 3HE MET 96 -5.758 7.995 -3.372 525 H VAL 97 H VAL 97 -2.609 5.876 -6.963 526 HA VAL 97 HA VAL 97 -0.761 7.928 -8.032 527 HB VAL 97 HB VAL 97 -0.292 5.607 -6.118 528 1HG1 VAL 97 1HG1 VAL 97 1.512 7.875 -6.987 529 2HG1 VAL 97 2HG1 VAL 97 1.873 6.674 -5.719 530 3HG1 VAL 97 3HG1 VAL 97 1.678 6.173 -7.405 531 1HG2 VAL 97 1HG2 VAL 97 0.055 7.412 -4.379 532 2HG2 VAL 97 2HG2 VAL 97 -0.737 8.530 -5.520 533 3HG2 VAL 97 3HG2 VAL 97 -1.620 7.137 -4.875 534 H GLN 98 H GLN 98 -0.656 7.360 -10.198 535 HA GLN 98 HA GLN 98 -0.809 4.625 -11.079 536 1HB GLN 98 1HB GLN 98 -1.086 6.894 -12.413 537 2HB GLN 98 2HB GLN 98 0.664 6.765 -12.651 538 1HG GLN 98 1HG GLN 98 -0.376 5.754 -14.560 539 2HG GLN 98 2HG GLN 98 0.241 4.415 -13.600 540 1HE2 GLN 98 1HE2 GLN 98 -1.295 2.966 -12.619 541 2HE2 GLN 98 2HE2 GLN 98 -3.021 3.086 -12.881 542 H ASP 99 H ASP 99 0.894 3.170 -11.673 543 HA ASP 99 HA ASP 99 2.947 2.198 -11.780 544 1HB ASP 99 1HB ASP 99 3.875 4.732 -11.622 545 2HB ASP 99 2HB ASP 99 4.431 4.153 -10.074 546 HD2 ASP 99 HD ASP 99 6.238 3.054 -13.404 547 H ALA 100 H ALA 100 1.425 3.556 -8.941 548 HA ALA 100 HA ALA 100 3.043 2.102 -7.060 549 1HB ALA 100 1HB ALA 100 1.330 2.654 -5.417 550 2HB ALA 100 2HB ALA 100 1.796 4.102 -6.337 551 3HB ALA 100 3HB ALA 100 0.261 3.261 -6.688 552 H THR 101 H THR 101 2.679 0.212 -6.161 553 HA THR 101 HA THR 101 0.483 -1.525 -7.146 554 HB THR 101 HB THR 101 2.446 -3.213 -7.671 555 HG1 THR 101 1HG THR 101 3.679 -0.777 -8.428 556 1HG2 THR 101 1HG2 THR 101 2.393 -2.543 -10.028 557 2HG2 THR 101 2HG2 THR 101 0.781 -2.373 -9.305 558 3HG2 THR 101 3HG2 THR 101 1.775 -0.937 -9.589 559 H ALA 102 H ALA 102 0.134 -3.413 -5.832 560 HA ALA 102 HA ALA 102 1.702 -3.672 -3.371 561 1HB ALA 102 1HB ALA 102 -0.342 -3.788 -2.101 562 2HB ALA 102 2HB ALA 102 -0.326 -2.247 -2.975 563 3HB ALA 102 3HB ALA 102 -1.346 -3.580 -3.559 564 H HIS 103 H HIS 103 2.696 -5.491 -4.386 565 HA HIS 103 HA HIS 103 1.015 -7.864 -4.998 566 1HB HIS 103 1HB HIS 103 2.663 -7.835 -6.566 567 2HB HIS 103 2HB HIS 103 3.818 -6.973 -5.544 568 HD1 HIS 103 1HD HIS 103 5.818 -8.589 -6.229 569 HD2 HIS 103 2HD HIS 103 2.455 -10.493 -4.616 570 HE1 HIS 103 1HE HIS 103 6.543 -10.948 -5.637 571 HE2 HIS 103 2HE HIS 103 4.512 -12.145 -4.646 572 H LEU 104 H LEU 104 0.500 -9.198 -3.314 573 HA LEU 104 HA LEU 104 2.054 -9.129 -0.786 574 1HB LEU 104 1HB LEU 104 -0.071 -9.366 -0.120 575 2HB LEU 104 2HB LEU 104 -0.623 -10.232 -1.526 576 HG LEU 104 HG LEU 104 1.055 -12.079 -0.318 577 1HD1 LEU 104 1HD1 LEU 104 -0.049 -11.845 2.091 578 2HD1 LEU 104 2HD1 LEU 104 1.610 -11.547 1.597 579 3HD1 LEU 104 3HD1 LEU 104 0.494 -10.188 1.713 580 1HD2 LEU 104 1HD2 LEU 104 -1.888 -11.830 -0.465 581 2HD2 LEU 104 2HD2 LEU 104 -0.776 -12.918 -1.263 582 3HD2 LEU 104 3HD2 LEU 104 -1.114 -13.134 0.460 583 H ASP 105 H ASP 105 3.895 -10.139 -0.821 584 HA ASP 105 HA ASP 105 4.316 -12.655 -2.287 585 1HB ASP 105 1HB ASP 105 5.948 -10.748 -2.207 586 2HB ASP 105 2HB ASP 105 6.132 -11.035 -0.474 587 HD2 ASP 105 HD ASP 105 8.724 -12.771 -2.241 588 H VAL 106 H VAL 106 2.834 -14.003 -1.064 589 HA VAL 106 HA VAL 106 3.255 -14.386 1.809 590 HB VAL 106 HB VAL 106 1.471 -15.456 -0.298 591 1HG1 VAL 106 1HG1 VAL 106 0.712 -17.406 0.951 592 2HG1 VAL 106 2HG1 VAL 106 2.355 -17.646 0.360 593 3HG1 VAL 106 3HG1 VAL 106 2.058 -17.258 2.080 594 1HG2 VAL 106 1HG2 VAL 106 1.204 -15.024 2.703 595 2HG2 VAL 106 2HG2 VAL 106 0.936 -13.804 1.464 596 3HG2 VAL 106 3HG2 VAL 106 -0.131 -15.217 1.537 597 H GLY 107 H GLY 107 5.336 -15.074 -0.768 598 1HA GLY 107 1HA GLY 107 6.444 -17.533 0.255 599 2HA GLY 107 2HA GLY 107 7.214 -16.360 -0.837 600 H GLN 108 H GLN 108 7.245 -14.068 0.410 601 HA GLN 108 HA GLN 108 9.102 -14.542 2.674 602 1HB GLN 108 1HB GLN 108 9.642 -13.321 0.449 603 2HB GLN 108 2HB GLN 108 8.726 -11.955 1.115 604 1HG GLN 108 1HG GLN 108 10.964 -11.453 1.589 605 2HG GLN 108 2HG GLN 108 10.392 -12.070 3.128 606 1HE2 GLN 108 1HE2 GLN 108 12.679 -12.407 0.598 607 2HE2 GLN 108 2HE2 GLN 108 13.389 -13.928 1.071 608 H GLN 109 H GLN 109 5.906 -13.448 2.328 609 HA GLN 109 HA GLN 109 4.454 -12.363 3.508 610 1HB GLN 109 1HB GLN 109 6.372 -12.527 5.857 611 2HB GLN 109 2HB GLN 109 4.687 -11.940 5.919 612 1HG GLN 109 1HG GLN 109 3.987 -14.161 4.921 613 2HG GLN 109 2HG GLN 109 5.639 -14.735 5.199 614 1HE2 GLN 109 1HE2 GLN 109 2.768 -13.345 6.886 615 2HE2 GLN 109 2HE2 GLN 109 3.022 -14.227 8.376 616 H ARG 110 H ARG 110 5.987 -11.124 1.690 617 HA ARG 110 HA ARG 110 6.610 -8.451 2.874 618 1HB ARG 110 1HB ARG 110 8.571 -9.579 1.953 619 2HB ARG 110 2HB ARG 110 7.747 -9.682 0.388 620 1HG ARG 110 1HG ARG 110 7.567 -7.151 0.422 621 2HG ARG 110 2HG ARG 110 8.569 -7.167 1.893 622 1HD ARG 110 1HD ARG 110 9.797 -6.686 -0.297 623 2HD ARG 110 2HD ARG 110 10.461 -8.001 0.698 624 HE ARG 110 HE ARG 110 8.570 -8.709 -1.446 625 1HH1 ARG 110 2HH2 ARG 110 12.011 -8.305 -0.744 626 2HH1 ARG 110 1HH2 ARG 110 12.489 -9.767 -1.563 627 1HH2 ARG 110 2HH1 ARG 110 9.278 -10.902 -2.305 628 2HH2 ARG 110 1HH1 ARG 110 10.951 -11.114 -2.525 629 H LEU 111 H LEU 111 5.047 -7.031 2.503 630 HA LEU 111 HA LEU 111 3.291 -7.362 0.146 631 1HB LEU 111 1HB LEU 111 2.289 -6.770 2.329 632 2HB LEU 111 2HB LEU 111 3.197 -5.265 2.344 633 HG LEU 111 HG LEU 111 1.994 -4.512 0.352 634 1HD1 LEU 111 1HD1 LEU 111 0.036 -5.886 -0.526 635 2HD1 LEU 111 2HD1 LEU 111 1.631 -6.461 -0.949 636 3HD1 LEU 111 3HD1 LEU 111 0.722 -7.262 0.362 637 1HD2 LEU 111 1HD2 LEU 111 0.987 -4.122 2.551 638 2HD2 LEU 111 2HD2 LEU 111 -0.253 -4.323 1.332 639 3HD2 LEU 111 3HD2 LEU 111 0.118 -5.659 2.445 640 H ASN 112 H ASN 112 4.559 -6.994 -1.517 641 HA ASN 112 HA ASN 112 6.789 -5.147 -1.635 642 1HB ASN 112 1HB ASN 112 5.210 -6.660 -3.755 643 2HB ASN 112 2HB ASN 112 6.590 -5.591 -4.113 644 1HD2 ASN 112 1HD2 ASN 112 5.895 -8.446 -1.945 645 2HD2 ASN 112 2HD2 ASN 112 7.201 -9.348 -2.638 646 H LEU 113 H LEU 113 6.495 -2.971 -1.817 647 HA LEU 113 HA LEU 113 3.982 -1.954 -2.991 648 1HB LEU 113 1HB LEU 113 4.871 -1.898 -0.300 649 2HB LEU 113 2HB LEU 113 5.056 -0.247 -0.882 650 HG LEU 113 HG LEU 113 2.944 -0.699 0.291 651 1HD1 LEU 113 1HD1 LEU 113 2.659 0.202 -2.597 652 2HD1 LEU 113 2HD1 LEU 113 1.474 0.481 -1.302 653 3HD1 LEU 113 3HD1 LEU 113 3.082 1.207 -1.199 654 1HD2 LEU 113 1HD2 LEU 113 1.864 -2.052 -2.134 655 2HD2 LEU 113 2HD2 LEU 113 2.724 -3.033 -0.959 656 3HD2 LEU 113 3HD2 LEU 113 1.270 -2.112 -0.468 657 H THR 114 H THR 114 4.246 -0.240 -4.433 658 HA THR 114 HA THR 114 6.903 1.098 -4.480 659 HB THR 114 HB THR 114 5.262 0.320 -6.947 660 HG1 THR 114 1HG THR 114 7.232 -0.854 -7.434 661 1HG2 THR 114 1HG2 THR 114 6.436 2.449 -7.307 662 2HG2 THR 114 2HG2 THR 114 7.960 1.731 -6.724 663 3HG2 THR 114 3HG2 THR 114 7.196 1.196 -8.237 664 H ILE 115 H ILE 115 6.785 3.307 -4.941 665 HA ILE 115 HA ILE 115 4.348 4.527 -5.879 666 HB ILE 115 HB ILE 115 5.583 5.240 -3.188 667 1HG1 ILE 115 1HG1 ILE 115 2.827 4.561 -4.267 668 2HG1 ILE 115 2HG1 ILE 115 3.760 3.681 -3.033 669 1HG2 ILE 115 1HG2 ILE 115 4.303 7.339 -3.142 670 2HG2 ILE 115 2HG2 ILE 115 5.535 7.343 -4.357 671 3HG2 ILE 115 3HG2 ILE 115 3.844 7.082 -4.834 672 1HD1 ILE 115 1HD1 ILE 115 3.541 5.792 -1.616 673 2HD1 ILE 115 2HD1 ILE 115 2.242 6.224 -2.769 674 3HD1 ILE 115 3HD1 ILE 115 2.135 4.708 -1.826 675 HA PRO 116 HA PRO 116 7.781 6.454 -8.033 676 1HB PRO 116 1HB PRO 116 6.369 8.439 -9.337 677 2HB PRO 116 2HB PRO 116 6.448 6.744 -9.882 678 1HG PRO 116 1HG PRO 116 4.272 8.127 -8.344 679 2HG PRO 116 2HG PRO 116 4.133 6.925 -9.666 680 1HD PRO 116 1HD PRO 116 3.881 6.353 -6.964 681 2HD PRO 116 2HD PRO 116 4.417 5.134 -8.125 682 H GLN 117 H GLN 117 9.062 8.334 -7.714 683 HA GLN 117 HA GLN 117 9.041 9.404 -5.145 684 1HB GLN 117 1HB GLN 117 10.431 10.207 -7.699 685 2HB GLN 117 2HB GLN 117 10.613 11.226 -6.247 686 1HG GLN 117 1HG GLN 117 11.305 8.273 -6.408 687 2HG GLN 117 2HG GLN 117 12.461 9.632 -6.485 688 1HE2 GLN 117 1HE2 GLN 117 11.329 7.313 -4.372 689 2HE2 GLN 117 2HE2 GLN 117 11.472 8.233 -2.867 690 H ALA 118 H ALA 118 7.599 10.888 -8.002 691 HA ALA 118 HA ALA 118 7.037 13.467 -7.134 692 1HB ALA 118 1HB ALA 118 6.560 12.855 -9.371 693 2HB ALA 118 2HB ALA 118 5.628 11.428 -8.888 694 3HB ALA 118 3HB ALA 118 4.954 13.044 -8.653 695 H PHE 119 H PHE 119 5.583 10.451 -5.933 696 HA PHE 119 HA PHE 119 3.351 11.936 -4.656 697 1HB PHE 119 1HB PHE 119 3.828 9.137 -5.692 698 2HB PHE 119 2HB PHE 119 2.468 9.497 -4.650 699 HD1 PHE 119 1HD PHE 119 4.016 10.354 -7.927 700 HD2 PHE 119 2HD PHE 119 0.478 10.326 -5.604 701 HE1 PHE 119 1HE PHE 119 2.704 10.778 -9.987 702 HE2 PHE 119 2HE PHE 119 -0.905 10.682 -7.695 703 HZ PHE 119 HZ PHE 119 0.224 10.828 -9.883 704 H MET 120 H MET 120 6.127 12.021 -3.641 705 HA MET 120 HA MET 120 5.658 10.715 -1.014 706 1HB MET 120 1HB MET 120 8.266 10.791 -2.574 707 2HB MET 120 2HB MET 120 8.068 10.202 -0.909 708 1HG MET 120 1HG MET 120 6.131 8.793 -2.247 709 2HG MET 120 2HG MET 120 7.387 8.899 -3.470 710 1HE MET 120 1HE MET 120 7.469 8.600 0.547 711 2HE MET 120 2HE MET 120 6.190 7.499 -0.005 712 3HE MET 120 3HE MET 120 7.668 6.852 0.728 713 H SER 121 H SER 121 6.604 11.880 0.786 714 HA SER 121 HA SER 121 6.374 14.738 0.293 715 1HB SER 121 1HB SER 121 5.953 15.000 2.481 716 2HB SER 121 2HB SER 121 5.497 13.300 2.314 717 HG SER 121 HG SER 121 7.740 14.461 3.528 718 H ASN 122 H ASN 122 8.851 12.537 1.481 719 HA ASN 122 HA ASN 122 11.199 12.960 0.524 720 1HB ASN 122 1HB ASN 122 11.135 15.386 0.724 721 2HB ASN 122 2HB ASN 122 10.718 15.256 2.446 722 1HD2 ASN 122 1HD2 ASN 122 13.369 13.980 0.221 723 2HD2 ASN 122 2HD2 ASN 122 14.606 14.383 1.393 724 H ARG 123 H ARG 123 12.947 12.501 2.411 725 HA ARG 123 HA ARG 123 13.694 11.426 4.213 726 1HB ARG 123 1HB ARG 123 10.978 11.697 5.510 727 2HB ARG 123 2HB ARG 123 12.497 11.298 6.323 728 1HG ARG 123 1HG ARG 123 12.865 13.489 6.648 729 2HG ARG 123 2HG ARG 123 12.828 13.708 4.881 730 1HD ARG 123 1HD ARG 123 10.229 13.683 5.201 731 2HD ARG 123 2HD ARG 123 10.593 14.099 6.873 732 HE ARG 123 HE ARG 123 10.600 15.821 4.623 733 1HH1 ARG 123 2HH2 ARG 123 12.621 15.316 7.535 734 2HH1 ARG 123 1HH2 ARG 123 13.621 16.698 7.159 735 1HH2 ARG 123 2HH1 ARG 123 11.711 17.768 4.410 736 2HH2 ARG 123 1HH1 ARG 123 12.963 18.219 5.510 737 H ALA 124 H ALA 124 10.331 10.280 4.005 738 HA ALA 124 HA ALA 124 9.441 8.227 4.514 739 1HB ALA 124 1HB ALA 124 11.244 7.594 2.156 740 2HB ALA 124 2HB ALA 124 9.796 6.685 2.649 741 3HB ALA 124 3HB ALA 124 9.629 8.353 2.098 742 H ARG 125 H ARG 125 10.234 7.818 6.627 743 HA ARG 125 HA ARG 125 12.879 6.717 7.097 744 1HB ARG 125 1HB ARG 125 10.422 6.708 8.889 745 2HB ARG 125 2HB ARG 125 12.099 6.381 9.390 746 1HG ARG 125 1HG ARG 125 10.948 9.042 8.532 747 2HG ARG 125 2HG ARG 125 11.436 8.520 10.167 748 1HD ARG 125 1HD ARG 125 13.769 8.110 9.006 749 2HD ARG 125 2HD ARG 125 13.116 9.216 7.780 750 HE ARG 125 HE ARG 125 13.078 10.026 10.634 751 1HH1 ARG 125 2HH2 ARG 125 14.916 10.142 7.600 752 2HH1 ARG 125 1HH2 ARG 125 15.847 11.520 8.048 753 1HH2 ARG 125 2HH1 ARG 125 14.197 11.970 11.208 754 2HH2 ARG 125 1HH1 ARG 125 15.526 12.464 10.233 Start of MODEL 6 1 1H GLY 25 H GLY 25 -5.542 -10.122 -12.553 2 1HA GLY 25 1HA GLY 25 -6.807 -12.058 -13.576 3 2HA GLY 25 2HA GLY 25 -5.602 -13.067 -12.764 4 H GLN 26 H GLN 26 -7.248 -14.053 -11.468 5 HA GLN 26 HA GLN 26 -7.737 -12.649 -9.044 6 1HB GLN 26 1HB GLN 26 -9.701 -11.796 -10.024 7 2HB GLN 26 2HB GLN 26 -10.119 -13.353 -10.763 8 1HG GLN 26 1HG GLN 26 -11.595 -12.865 -8.937 9 2HG GLN 26 2HG GLN 26 -10.637 -14.287 -8.546 10 1HE2 GLN 26 1HE2 GLN 26 -8.279 -13.204 -7.307 11 2HE2 GLN 26 2HE2 GLN 26 -8.841 -12.422 -5.869 12 H GLU 27 H GLU 27 -6.601 -14.145 -8.012 13 HA GLU 27 HA GLU 27 -7.319 -16.998 -8.154 14 1HB GLU 27 1HB GLU 27 -4.787 -17.298 -8.314 15 2HB GLU 27 2HB GLU 27 -5.596 -16.638 -9.753 16 1HG GLU 27 1HG GLU 27 -4.899 -14.347 -9.044 17 2HG GLU 27 2HG GLU 27 -3.985 -15.074 -7.713 18 HE2 GLU 27 HE GLU 27 -1.329 -15.766 -9.825 19 H LEU 28 H LEU 28 -7.695 -14.823 -6.119 20 HA LEU 28 HA LEU 28 -6.631 -16.269 -3.837 21 1HB LEU 28 1HB LEU 28 -4.872 -14.677 -4.929 22 2HB LEU 28 2HB LEU 28 -5.743 -13.389 -4.107 23 HG LEU 28 HG LEU 28 -5.197 -14.383 -1.938 24 1HD1 LEU 28 1HD1 LEU 28 -3.589 -16.352 -1.842 25 2HD1 LEU 28 2HD1 LEU 28 -5.202 -16.789 -2.384 26 3HD1 LEU 28 3HD1 LEU 28 -3.892 -16.621 -3.582 27 1HD2 LEU 28 1HD2 LEU 28 -2.798 -13.990 -1.970 28 2HD2 LEU 28 2HD2 LEU 28 -2.679 -14.497 -3.668 29 3HD2 LEU 28 3HD2 LEU 28 -3.469 -12.972 -3.273 30 HA PRO 29 HA PRO 29 -10.467 -14.273 -2.420 31 1HB PRO 29 1HB PRO 29 -10.896 -15.667 -0.147 32 2HB PRO 29 2HB PRO 29 -10.989 -16.450 -1.752 33 1HG PRO 29 1HG PRO 29 -8.678 -16.471 0.188 34 2HG PRO 29 2HG PRO 29 -9.375 -17.863 -0.706 35 1HD PRO 29 1HD PRO 29 -7.153 -16.442 -1.541 36 2HD PRO 29 2HD PRO 29 -8.254 -17.260 -2.672 37 HA PRO 30 HA PRO 30 -8.976 -11.087 0.227 38 1HB PRO 30 1HB PRO 30 -11.147 -9.936 1.258 39 2HB PRO 30 2HB PRO 30 -10.780 -9.965 -0.499 40 1HG PRO 30 1HG PRO 30 -12.578 -11.867 1.032 41 2HG PRO 30 2HG PRO 30 -12.969 -10.936 -0.457 42 1HD PRO 30 1HD PRO 30 -12.103 -13.530 -0.546 43 2HD PRO 30 2HD PRO 30 -11.597 -12.349 -1.782 44 H GLY 31 H GLY 31 -9.118 -10.134 2.709 45 1HA GLY 31 1HA GLY 31 -9.628 -11.728 4.918 46 2HA GLY 31 2HA GLY 31 -8.180 -12.427 4.179 47 H THR 32 H THR 32 -6.910 -11.800 6.118 48 HA THR 32 HA THR 32 -5.703 -9.251 5.456 49 HB THR 32 HB THR 32 -7.060 -8.665 7.396 50 HG1 THR 32 1HG THR 32 -5.523 -7.507 8.120 51 1HG2 THR 32 1HG2 THR 32 -6.360 -9.505 9.669 52 2HG2 THR 32 2HG2 THR 32 -7.321 -10.628 8.677 53 3HG2 THR 32 3HG2 THR 32 -5.576 -10.863 8.832 54 H TYR 33 H TYR 33 -3.521 -9.377 5.432 55 HA TYR 33 HA TYR 33 -2.303 -11.997 6.148 56 1HB TYR 33 1HB TYR 33 -0.527 -11.236 4.386 57 2HB TYR 33 2HB TYR 33 -1.961 -12.196 3.971 58 HD1 TYR 33 1HD TYR 33 -0.678 -8.602 3.855 59 HD2 TYR 33 2HD TYR 33 -3.125 -11.672 2.082 60 HE1 TYR 33 1HE TYR 33 -1.212 -7.103 1.947 61 HE2 TYR 33 2HE TYR 33 -3.618 -10.202 0.220 62 HH TYR 33 HH TYR 33 -3.082 -8.133 -0.845 63 H ARG 34 H ARG 34 -0.037 -11.837 6.823 64 HA ARG 34 HA ARG 34 0.433 -9.302 8.350 65 1HB ARG 34 1HB ARG 34 -0.119 -11.208 9.787 66 2HB ARG 34 2HB ARG 34 1.117 -12.212 9.008 67 1HG ARG 34 1HG ARG 34 1.765 -11.307 11.258 68 2HG ARG 34 2HG ARG 34 2.899 -10.876 9.954 69 1HD ARG 34 1HD ARG 34 2.256 -8.648 9.936 70 2HD ARG 34 2HD ARG 34 0.645 -8.987 10.597 71 HE ARG 34 HE ARG 34 3.217 -8.915 12.141 72 1HH1 ARG 34 2HH2 ARG 34 -0.355 -9.159 12.258 73 2HH1 ARG 34 1HH2 ARG 34 -0.459 -8.666 13.893 74 1HH2 ARG 34 2HH1 ARG 34 3.107 -8.437 14.214 75 2HH2 ARG 34 1HH1 ARG 34 1.611 -8.482 15.119 76 H VAL 35 H VAL 35 2.051 -8.131 7.361 77 HA VAL 35 HA VAL 35 4.301 -9.580 6.158 78 HB VAL 35 HB VAL 35 3.891 -8.600 3.973 79 1HG1 VAL 35 1HG1 VAL 35 1.876 -9.678 3.212 80 2HG1 VAL 35 2HG1 VAL 35 2.670 -10.735 4.391 81 3HG1 VAL 35 3HG1 VAL 35 1.227 -9.800 4.838 82 1HG2 VAL 35 1HG2 VAL 35 1.872 -7.319 3.394 83 2HG2 VAL 35 2HG2 VAL 35 1.316 -7.393 5.078 84 3HG2 VAL 35 3HG2 VAL 35 2.778 -6.466 4.658 85 H ASP 36 H ASP 36 5.927 -8.210 5.333 86 HA ASP 36 HA ASP 36 6.264 -5.784 7.023 87 1HB ASP 36 1HB ASP 36 8.440 -6.516 5.191 88 2HB ASP 36 2HB ASP 36 8.441 -5.891 6.858 89 HD2 ASP 36 HD ASP 36 9.715 -9.409 6.432 90 H ILE 37 H ILE 37 5.599 -3.976 5.980 91 HA ILE 37 HA ILE 37 5.041 -4.007 3.093 92 HB ILE 37 HB ILE 37 4.867 -1.772 5.206 93 1HG1 ILE 37 1HG1 ILE 37 2.301 -2.224 4.575 94 2HG1 ILE 37 2HG1 ILE 37 2.892 -3.865 4.297 95 1HG2 ILE 37 1HG2 ILE 37 3.823 -1.859 2.356 96 2HG2 ILE 37 2HG2 ILE 37 3.498 -0.571 3.537 97 3HG2 ILE 37 3HG2 ILE 37 5.137 -0.831 2.966 98 1HD1 ILE 37 1HD1 ILE 37 3.235 -2.303 6.898 99 2HD1 ILE 37 2HD1 ILE 37 1.994 -3.523 6.602 100 3HD1 ILE 37 3HD1 ILE 37 3.684 -4.001 6.636 101 H TYR 38 H TYR 38 6.741 -4.046 1.834 102 HA TYR 38 HA TYR 38 9.073 -2.274 2.429 103 1HB TYR 38 1HB TYR 38 8.646 -4.796 0.846 104 2HB TYR 38 2HB TYR 38 9.818 -3.601 0.272 105 HD1 TYR 38 1HD TYR 38 8.955 -5.872 3.098 106 HD2 TYR 38 2HD TYR 38 11.954 -3.346 1.352 107 HE1 TYR 38 1HE TYR 38 10.613 -6.733 4.683 108 HE2 TYR 38 2HE TYR 38 13.612 -4.117 3.025 109 HH TYR 38 HH TYR 38 12.719 -6.446 5.597 110 H LEU 39 H LEU 39 8.255 -0.290 1.822 111 HA LEU 39 HA LEU 39 6.916 -0.021 -0.820 112 1HB LEU 39 1HB LEU 39 6.350 1.464 1.225 113 2HB LEU 39 2HB LEU 39 7.948 2.205 0.927 114 HG LEU 39 HG LEU 39 7.091 2.547 -1.511 115 1HD1 LEU 39 1HD1 LEU 39 5.028 1.341 -1.494 116 2HD1 LEU 39 2HD1 LEU 39 4.559 2.022 0.096 117 3HD1 LEU 39 3HD1 LEU 39 4.550 3.032 -1.336 118 1HD2 LEU 39 1HD2 LEU 39 6.007 4.162 0.839 119 2HD2 LEU 39 2HD2 LEU 39 7.604 4.337 0.081 120 3HD2 LEU 39 3HD2 LEU 39 6.146 4.723 -0.839 121 H ASN 40 H ASN 40 8.211 0.108 -2.564 122 HA ASN 40 HA ASN 40 10.045 0.334 -3.882 123 1HB ASN 40 1HB ASN 40 10.619 2.681 -2.030 124 2HB ASN 40 2HB ASN 40 11.289 2.452 -3.660 125 1HD2 ASN 40 1HD2 ASN 40 9.630 4.693 -2.529 126 2HD2 ASN 40 2HD2 ASN 40 8.288 4.804 -3.659 127 H ASN 41 H ASN 41 10.355 -1.608 -1.988 128 HA ASN 41 HA ASN 41 11.803 -2.990 -1.051 129 1HB ASN 41 1HB ASN 41 13.231 -1.728 -3.275 130 2HB ASN 41 2HB ASN 41 14.310 -2.512 -2.105 131 1HD2 ASN 41 1HD2 ASN 41 10.917 -3.534 -3.146 132 2HD2 ASN 41 2HD2 ASN 41 11.524 -5.042 -3.754 133 H GLY 42 H GLY 42 11.531 -0.205 0.374 134 1HA GLY 42 1HA GLY 42 13.754 -0.848 2.277 135 2HA GLY 42 2HA GLY 42 13.414 0.796 1.767 136 H TYR 43 H TYR 43 11.691 -2.023 3.089 137 HA TYR 43 HA TYR 43 9.893 -2.141 4.624 138 1HB TYR 43 1HB TYR 43 11.906 -3.172 5.297 139 2HB TYR 43 2HB TYR 43 12.609 -1.622 5.794 140 HD1 TYR 43 1HD TYR 43 9.147 -2.829 6.774 141 HD2 TYR 43 2HD TYR 43 13.266 -2.274 7.946 142 HE1 TYR 43 1HE TYR 43 8.513 -3.008 9.143 143 HE2 TYR 43 2HE TYR 43 12.636 -2.532 10.312 144 HH TYR 43 HH TYR 43 10.833 -2.454 11.796 145 H MET 44 H MET 44 8.246 -0.894 5.195 146 HA MET 44 HA MET 44 8.758 1.779 6.422 147 1HB MET 44 1HB MET 44 6.068 0.868 5.439 148 2HB MET 44 2HB MET 44 6.684 2.524 5.572 149 1HG MET 44 1HG MET 44 7.201 0.458 3.468 150 2HG MET 44 2HG MET 44 6.554 2.090 3.302 151 1HE MET 44 1HE MET 44 8.220 4.321 3.766 152 2HE MET 44 2HE MET 44 8.978 3.578 5.206 153 3HE MET 44 3HE MET 44 9.994 4.142 3.877 154 H ALA 45 H ALA 45 6.904 -1.258 6.940 155 HA ALA 45 HA ALA 45 6.716 -0.968 9.773 156 1HB ALA 45 1HB ALA 45 4.191 -0.506 8.108 157 2HB ALA 45 2HB ALA 45 4.219 -0.844 9.851 158 3HB ALA 45 3HB ALA 45 4.931 0.652 9.242 159 H THR 46 H THR 46 5.531 -2.892 10.606 160 HA THR 46 HA THR 46 4.993 -5.050 8.637 161 HB THR 46 HB THR 46 6.697 -5.303 11.156 162 HG1 THR 46 1HG THR 46 8.328 -5.687 9.716 163 1HG2 THR 46 1HG2 THR 46 7.060 -7.644 10.360 164 2HG2 THR 46 2HG2 THR 46 5.371 -7.353 10.802 165 3HG2 THR 46 3HG2 THR 46 5.856 -7.394 9.088 166 H ARG 47 H ARG 47 2.874 -5.616 8.943 167 HA ARG 47 HA ARG 47 1.767 -6.050 11.571 168 1HB ARG 47 1HB ARG 47 -0.046 -4.220 11.084 169 2HB ARG 47 2HB ARG 47 1.440 -3.852 11.985 170 1HG ARG 47 1HG ARG 47 2.084 -2.305 10.536 171 2HG ARG 47 2HG ARG 47 1.674 -3.249 9.107 172 1HD ARG 47 1HD ARG 47 0.405 -1.116 9.359 173 2HD ARG 47 2HD ARG 47 -0.605 -2.535 9.162 174 HE ARG 47 HE ARG 47 -0.094 -0.996 11.660 175 1HH1 ARG 47 2HH2 ARG 47 -2.184 -3.335 9.923 176 2HH1 ARG 47 1HH2 ARG 47 -3.344 -3.431 11.179 177 1HH2 ARG 47 2HH1 ARG 47 -1.752 -1.033 13.291 178 2HH2 ARG 47 1HH1 ARG 47 -3.275 -1.740 12.871 179 H ASP 48 H ASP 48 -0.785 -6.080 11.259 180 HA ASP 48 HA ASP 48 -1.474 -7.849 9.094 181 1HB ASP 48 1HB ASP 48 -3.616 -7.835 9.900 182 2HB ASP 48 2HB ASP 48 -2.775 -7.447 11.380 183 HD2 ASP 48 HD ASP 48 -5.156 -4.704 9.706 184 H VAL 49 H VAL 49 -2.347 -7.277 7.122 185 HA VAL 49 HA VAL 49 -3.013 -4.464 6.579 186 HB VAL 49 HB VAL 49 -1.522 -6.057 4.477 187 1HG1 VAL 49 1HG1 VAL 49 -1.708 -3.069 5.050 188 2HG1 VAL 49 2HG1 VAL 49 -1.005 -3.826 3.617 189 3HG1 VAL 49 3HG1 VAL 49 -2.767 -3.926 3.926 190 1HG2 VAL 49 1HG2 VAL 49 0.079 -6.002 6.335 191 2HG2 VAL 49 2HG2 VAL 49 0.557 -4.875 5.061 192 3HG2 VAL 49 3HG2 VAL 49 -0.212 -4.265 6.544 193 H THR 50 H THR 50 -5.162 -5.140 6.965 194 HA THR 50 HA THR 50 -6.395 -7.334 5.681 195 HB THR 50 HB THR 50 -7.633 -4.714 6.560 196 HG1 THR 50 1HG THR 50 -7.763 -5.636 8.516 197 1HG2 THR 50 1HG2 THR 50 -9.654 -6.008 6.934 198 2HG2 THR 50 2HG2 THR 50 -9.118 -6.304 5.264 199 3HG2 THR 50 3HG2 THR 50 -8.823 -7.524 6.515 200 H PHE 51 H PHE 51 -6.550 -7.681 3.458 201 HA PHE 51 HA PHE 51 -6.768 -5.411 1.690 202 1HB PHE 51 1HB PHE 51 -6.182 -7.264 0.098 203 2HB PHE 51 2HB PHE 51 -4.970 -7.024 1.370 204 HD1 PHE 51 1HD PHE 51 -7.277 -9.299 -0.159 205 HD2 PHE 51 2HD PHE 51 -4.862 -8.667 3.327 206 HE1 PHE 51 1HE PHE 51 -7.040 -11.752 0.174 207 HE2 PHE 51 2HE PHE 51 -4.958 -11.145 3.794 208 HZ PHE 51 HZ PHE 51 -6.013 -12.645 2.224 209 H ASN 52 H ASN 52 -8.186 -5.993 -0.235 210 HA ASN 52 HA ASN 52 -10.582 -7.628 0.249 211 1HB ASN 52 1HB ASN 52 -11.780 -5.536 -0.884 212 2HB ASN 52 2HB ASN 52 -11.773 -5.819 0.863 213 1HD2 ASN 52 1HD2 ASN 52 -10.165 -4.682 2.136 214 2HD2 ASN 52 2HD2 ASN 52 -9.769 -3.027 1.706 215 H THR 53 H THR 53 -11.784 -7.901 -1.722 216 HA THR 53 HA THR 53 -10.118 -8.666 -3.879 217 HB THR 53 HB THR 53 -12.715 -8.477 -4.813 218 HG1 THR 53 1HG THR 53 -13.442 -7.756 -2.766 219 1HG2 THR 53 1HG2 THR 53 -11.573 -10.680 -3.050 220 2HG2 THR 53 2HG2 THR 53 -12.838 -10.869 -4.296 221 3HG2 THR 53 3HG2 THR 53 -11.173 -10.460 -4.755 222 H GLY 54 H GLY 54 -9.712 -7.745 -5.876 223 1HA GLY 54 1HA GLY 54 -10.879 -5.373 -6.846 224 2HA GLY 54 2HA GLY 54 -9.338 -4.966 -6.065 225 H ASP 55 H ASP 55 -9.198 -4.387 -8.472 226 HA ASP 55 HA ASP 55 -8.463 -6.673 -10.158 227 1HB ASP 55 1HB ASP 55 -9.477 -4.002 -10.533 228 2HB ASP 55 2HB ASP 55 -7.953 -4.183 -11.418 229 HD2 ASP 55 HD ASP 55 -9.386 -6.916 -13.287 230 H SER 56 H SER 56 -6.450 -7.484 -10.169 231 HA SER 56 HA SER 56 -4.073 -5.908 -10.118 232 1HB SER 56 1HB SER 56 -4.660 -7.737 -7.734 233 2HB SER 56 2HB SER 56 -3.130 -6.886 -8.036 234 HG SER 56 HG SER 56 -5.234 -5.183 -8.066 235 H GLU 57 H GLU 57 -2.182 -7.918 -9.678 236 HA GLU 57 HA GLU 57 -2.702 -9.946 -11.659 237 1HB GLU 57 1HB GLU 57 -0.641 -9.768 -9.433 238 2HB GLU 57 2HB GLU 57 -0.663 -11.020 -10.697 239 1HG GLU 57 1HG GLU 57 -0.464 -8.037 -11.267 240 2HG GLU 57 2HG GLU 57 0.935 -9.130 -11.107 241 HE2 GLU 57 HE GLU 57 0.462 -10.388 -14.320 242 H GLN 58 H GLN 58 -2.425 -10.138 -8.038 243 HA GLN 58 HA GLN 58 -3.524 -12.792 -8.190 244 1HB GLN 58 1HB GLN 58 -3.349 -11.447 -5.555 245 2HB GLN 58 2HB GLN 58 -2.944 -13.111 -6.040 246 1HG GLN 58 1HG GLN 58 -0.825 -12.332 -5.708 247 2HG GLN 58 2HG GLN 58 -0.966 -11.813 -7.377 248 1HE2 GLN 58 1HE2 GLN 58 -1.077 -10.837 -4.012 249 2HE2 GLN 58 2HE2 GLN 58 -1.335 -9.084 -4.268 250 H GLY 59 H GLY 59 -4.980 -9.731 -7.943 251 1HA GLY 59 1HA GLY 59 -7.222 -9.326 -8.335 252 2HA GLY 59 2HA GLY 59 -7.659 -10.922 -7.795 253 H ILE 60 H ILE 60 -5.634 -8.808 -5.735 254 HA ILE 60 HA ILE 60 -7.866 -7.954 -4.092 255 HB ILE 60 HB ILE 60 -6.564 -8.823 -2.017 256 1HG1 ILE 60 1HG1 ILE 60 -5.597 -10.933 -4.012 257 2HG1 ILE 60 2HG1 ILE 60 -4.571 -9.608 -3.391 258 1HG2 ILE 60 1HG2 ILE 60 -8.803 -9.678 -2.562 259 2HG2 ILE 60 2HG2 ILE 60 -8.123 -10.852 -3.706 260 3HG2 ILE 60 3HG2 ILE 60 -7.814 -10.994 -1.981 261 1HD1 ILE 60 1HD1 ILE 60 -5.756 -11.902 -1.826 262 2HD1 ILE 60 2HD1 ILE 60 -4.050 -11.388 -1.970 263 3HD1 ILE 60 3HD1 ILE 60 -5.190 -10.393 -1.090 264 H VAL 61 H VAL 61 -7.262 -6.215 -2.720 265 HA VAL 61 HA VAL 61 -4.565 -5.126 -3.119 266 HB VAL 61 HB VAL 61 -5.635 -2.868 -3.233 267 1HG1 VAL 61 1HG1 VAL 61 -6.464 -4.801 -5.444 268 2HG1 VAL 61 2HG1 VAL 61 -6.243 -3.047 -5.597 269 3HG1 VAL 61 3HG1 VAL 61 -4.855 -4.086 -5.244 270 1HG2 VAL 61 1HG2 VAL 61 -7.884 -3.373 -2.275 271 2HG2 VAL 61 2HG2 VAL 61 -8.002 -2.666 -3.884 272 3HG2 VAL 61 3HG2 VAL 61 -8.253 -4.407 -3.668 273 HA PRO 62 HA PRO 62 -4.694 -4.850 1.387 274 1HB PRO 62 1HB PRO 62 -2.634 -2.828 1.423 275 2HB PRO 62 2HB PRO 62 -2.537 -4.562 1.835 276 1HG PRO 62 1HG PRO 62 -1.359 -3.363 -0.402 277 2HG PRO 62 2HG PRO 62 -1.639 -5.145 -0.136 278 1HD PRO 62 1HD PRO 62 -3.136 -3.214 -1.836 279 2HD PRO 62 2HD PRO 62 -2.912 -4.970 -1.995 280 H CYS 63 H CYS 63 -5.564 -3.394 2.980 281 HA CYS 63 HA CYS 63 -6.845 -0.941 2.048 282 1HB CYS 63 1HB CYS 63 -7.867 -2.309 3.801 283 2HB CYS 63 2HB CYS 63 -6.449 -2.075 4.845 284 HG CYS 63 HG CYS 63 -8.452 -0.695 5.773 285 H LEU 64 H LEU 64 -5.615 0.815 1.656 286 HA LEU 64 HA LEU 64 -3.297 1.427 3.433 287 1HB LEU 64 1HB LEU 64 -3.526 1.908 0.448 288 2HB LEU 64 2HB LEU 64 -2.213 2.434 1.533 289 HG LEU 64 HG LEU 64 -2.635 -0.454 1.746 290 1HD1 LEU 64 1HD1 LEU 64 -1.862 0.452 -1.058 291 2HD1 LEU 64 2HD1 LEU 64 -1.905 -1.184 -0.448 292 3HD1 LEU 64 3HD1 LEU 64 -3.410 -0.267 -0.621 293 1HD2 LEU 64 1HD2 LEU 64 -0.622 0.861 2.425 294 2HD2 LEU 64 2HD2 LEU 64 -0.287 -0.557 1.430 295 3HD2 LEU 64 3HD2 LEU 64 -0.235 1.079 0.710 296 H THR 65 H THR 65 -4.417 2.785 4.767 297 HA THR 65 HA THR 65 -6.445 4.591 3.784 298 HB THR 65 HB THR 65 -6.917 5.004 6.104 299 HG1 THR 65 1HG THR 65 -5.561 4.664 7.689 300 1HG2 THR 65 1HG2 THR 65 -7.564 2.700 5.609 301 2HG2 THR 65 2HG2 THR 65 -5.916 2.088 5.834 302 3HG2 THR 65 3HG2 THR 65 -6.778 2.676 7.205 303 H ARG 66 H ARG 66 -6.368 6.961 4.238 304 HA ARG 66 HA ARG 66 -4.212 8.428 3.439 305 1HB ARG 66 1HB ARG 66 -6.423 9.345 3.951 306 2HB ARG 66 2HB ARG 66 -6.157 9.104 5.689 307 1HG ARG 66 1HG ARG 66 -5.125 11.063 5.872 308 2HG ARG 66 2HG ARG 66 -3.996 10.690 4.561 309 1HD ARG 66 1HD ARG 66 -5.143 11.889 3.017 310 2HD ARG 66 2HD ARG 66 -6.714 11.426 3.725 311 HE ARG 66 HE ARG 66 -4.868 13.483 4.882 312 1HH1 ARG 66 2HH2 ARG 66 -8.260 12.291 4.624 313 2HH1 ARG 66 1HH2 ARG 66 -8.921 13.744 5.244 314 1HH2 ARG 66 2HH1 ARG 66 -5.826 15.132 6.218 315 2HH2 ARG 66 1HH1 ARG 66 -7.550 15.116 6.414 316 H ALA 67 H ALA 67 -4.738 7.125 6.682 317 HA ALA 67 HA ALA 67 -2.397 8.423 7.735 318 1HB ALA 67 1HB ALA 67 -4.301 7.743 9.182 319 2HB ALA 67 2HB ALA 67 -3.789 6.040 8.973 320 3HB ALA 67 3HB ALA 67 -2.703 7.225 9.729 321 H GLN 68 H GLN 68 -3.056 4.957 6.805 322 HA GLN 68 HA GLN 68 -0.547 3.828 7.292 323 1HB GLN 68 1HB GLN 68 -2.528 3.424 5.021 324 2HB GLN 68 2HB GLN 68 -1.172 2.336 5.268 325 1HG GLN 68 1HG GLN 68 -3.197 2.838 7.477 326 2HG GLN 68 2HG GLN 68 -3.535 1.724 6.125 327 1HE2 GLN 68 1HE2 GLN 68 -3.364 -0.400 7.125 328 2HE2 GLN 68 2HE2 GLN 68 -1.840 -0.872 7.837 329 H LEU 69 H LEU 69 -1.690 5.497 4.372 330 HA LEU 69 HA LEU 69 0.675 5.338 2.834 331 1HB LEU 69 1HB LEU 69 -1.456 7.505 2.814 332 2HB LEU 69 2HB LEU 69 -0.313 7.065 1.519 333 HG LEU 69 HG LEU 69 -2.236 5.042 2.538 334 1HD1 LEU 69 1HD1 LEU 69 -3.563 7.106 1.951 335 2HD1 LEU 69 2HD1 LEU 69 -2.838 7.100 0.343 336 3HD1 LEU 69 3HD1 LEU 69 -3.913 5.771 0.885 337 1HD2 LEU 69 1HD2 LEU 69 -2.133 4.235 0.259 338 2HD2 LEU 69 2HD2 LEU 69 -0.896 5.458 -0.135 339 3HD2 LEU 69 3HD2 LEU 69 -0.566 4.201 1.090 340 H ALA 70 H ALA 70 -0.576 8.121 4.847 341 HA ALA 70 HA ALA 70 1.759 9.694 4.316 342 1HB ALA 70 1HB ALA 70 0.950 11.080 6.182 343 2HB ALA 70 2HB ALA 70 -0.375 10.669 5.071 344 3HB ALA 70 3HB ALA 70 -0.222 9.815 6.627 345 H SER 71 H SER 71 1.168 7.007 6.513 346 HA SER 71 HA SER 71 3.233 7.581 8.403 347 1HB SER 71 1HB SER 71 1.949 5.006 7.538 348 2HB SER 71 2HB SER 71 3.295 5.048 8.706 349 HG SER 71 HG SER 71 2.102 6.368 10.038 350 H MET 72 H MET 72 3.195 5.491 5.458 351 HA MET 72 HA MET 72 6.039 5.038 5.332 352 1HB MET 72 1HB MET 72 5.565 4.055 3.124 353 2HB MET 72 2HB MET 72 4.502 3.369 4.343 354 1HG MET 72 1HG MET 72 2.699 4.822 3.666 355 2HG MET 72 2HG MET 72 3.785 5.669 2.557 356 1HE MET 72 1HE MET 72 1.317 2.803 3.134 357 2HE MET 72 2HE MET 72 1.765 1.602 1.901 358 3HE MET 72 3HE MET 72 2.851 1.904 3.270 359 H GLY 73 H GLY 73 4.680 8.009 4.999 360 1HA GLY 73 1HA GLY 73 5.734 9.930 4.244 361 2HA GLY 73 2HA GLY 73 6.970 8.926 3.482 362 H LEU 74 H LEU 74 3.772 8.047 2.511 363 HA LEU 74 HA LEU 74 4.081 9.183 -0.140 364 1HB LEU 74 1HB LEU 74 2.825 7.334 -0.267 365 2HB LEU 74 2HB LEU 74 2.034 7.581 1.291 366 HG LEU 74 HG LEU 74 0.475 7.526 -0.438 367 1HD1 LEU 74 1HD1 LEU 74 -0.886 8.958 0.513 368 2HD1 LEU 74 2HD1 LEU 74 0.451 9.367 1.560 369 3HD1 LEU 74 3HD1 LEU 74 0.097 10.354 0.121 370 1HD2 LEU 74 1HD2 LEU 74 0.123 8.952 -2.235 371 2HD2 LEU 74 2HD2 LEU 74 1.467 10.004 -1.809 372 3HD2 LEU 74 3HD2 LEU 74 1.781 8.348 -2.349 373 H ASN 75 H ASN 75 3.083 10.933 -0.955 374 HA ASN 75 HA ASN 75 2.511 13.105 0.989 375 1HB ASN 75 1HB ASN 75 4.246 13.442 -0.803 376 2HB ASN 75 2HB ASN 75 2.956 13.351 -2.010 377 1HD2 ASN 75 1HD2 ASN 75 3.059 15.608 -2.684 378 2HD2 ASN 75 2HD2 ASN 75 2.837 16.916 -1.532 379 H THR 76 H THR 76 0.193 12.723 1.564 380 HA THR 76 HA THR 76 -1.757 12.067 -0.259 381 HB THR 76 HB THR 76 -3.290 13.074 1.454 382 HG1 THR 76 1HG THR 76 -2.320 14.721 2.461 383 1HG2 THR 76 1HG2 THR 76 -2.523 11.638 3.342 384 2HG2 THR 76 2HG2 THR 76 -2.454 10.788 1.782 385 3HG2 THR 76 3HG2 THR 76 -0.975 11.388 2.544 386 H ALA 77 H ALA 77 -0.240 15.193 0.224 387 HA ALA 77 HA ALA 77 -2.280 16.714 -1.093 388 1HB ALA 77 1HB ALA 77 -0.208 17.329 0.537 389 2HB ALA 77 2HB ALA 77 0.526 17.701 -1.037 390 3HB ALA 77 3HB ALA 77 -1.008 18.475 -0.533 391 H SER 78 H SER 78 0.259 14.647 -2.410 392 HA SER 78 HA SER 78 0.555 16.087 -4.915 393 1HB SER 78 1HB SER 78 1.209 13.256 -4.021 394 2HB SER 78 2HB SER 78 1.503 13.869 -5.670 395 HG SER 78 HG SER 78 3.337 14.343 -4.894 396 H VAL 79 H VAL 79 -2.038 14.058 -3.578 397 HA VAL 79 HA VAL 79 -2.833 13.231 -6.281 398 HB VAL 79 HB VAL 79 -3.669 11.913 -3.731 399 1HG1 VAL 79 1HG1 VAL 79 -3.109 10.950 -6.559 400 2HG1 VAL 79 2HG1 VAL 79 -3.569 9.894 -5.220 401 3HG1 VAL 79 3HG1 VAL 79 -4.694 11.140 -5.791 402 1HG2 VAL 79 1HG2 VAL 79 -0.919 11.698 -4.916 403 2HG2 VAL 79 2HG2 VAL 79 -1.365 11.944 -3.225 404 3HG2 VAL 79 3HG2 VAL 79 -1.637 10.370 -3.964 405 H ALA 80 H ALA 80 -4.727 13.926 -7.037 406 HA ALA 80 HA ALA 80 -5.966 16.119 -5.962 407 1HB ALA 80 1HB ALA 80 -7.665 15.786 -7.710 408 2HB ALA 80 2HB ALA 80 -6.035 15.461 -8.318 409 3HB ALA 80 3HB ALA 80 -7.124 14.107 -7.942 410 H GLY 81 H GLY 81 -7.186 12.728 -5.725 411 1HA GLY 81 1HA GLY 81 -9.319 13.665 -3.868 412 2HA GLY 81 2HA GLY 81 -9.350 12.232 -4.895 413 H MET 82 H MET 82 -6.654 13.307 -2.712 414 HA MET 82 HA MET 82 -7.050 10.700 -1.260 415 1HB MET 82 1HB MET 82 -5.003 10.798 -2.509 416 2HB MET 82 2HB MET 82 -4.522 12.289 -1.697 417 1HG MET 82 1HG MET 82 -4.281 11.176 0.396 418 2HG MET 82 2HG MET 82 -5.158 9.752 -0.150 419 1HE MET 82 1HE MET 82 -2.603 7.956 -2.480 420 2HE MET 82 2HE MET 82 -4.255 8.039 -1.827 421 3HE MET 82 3HE MET 82 -3.754 9.155 -3.103 422 H ASN 83 H ASN 83 -6.022 14.069 -0.808 423 HA ASN 83 HA ASN 83 -5.689 13.971 2.009 424 1HB ASN 83 1HB ASN 83 -5.584 16.407 1.797 425 2HB ASN 83 2HB ASN 83 -4.553 15.591 0.622 426 1HD2 ASN 83 1HD2 ASN 83 -6.620 18.213 0.977 427 2HD2 ASN 83 2HD2 ASN 83 -7.098 18.337 -0.702 428 H LEU 84 H LEU 84 -8.525 13.321 0.713 429 HA LEU 84 HA LEU 84 -10.103 14.850 2.659 430 1HB LEU 84 1HB LEU 84 -11.997 14.372 0.941 431 2HB LEU 84 2HB LEU 84 -10.996 15.833 0.931 432 HG LEU 84 HG LEU 84 -11.483 14.940 -1.275 433 1HD1 LEU 84 1HD1 LEU 84 -9.518 15.576 -2.187 434 2HD1 LEU 84 2HD1 LEU 84 -9.229 16.084 -0.494 435 3HD1 LEU 84 3HD1 LEU 84 -8.540 14.575 -1.115 436 1HD2 LEU 84 1HD2 LEU 84 -9.657 12.578 -0.647 437 2HD2 LEU 84 2HD2 LEU 84 -11.436 12.480 -0.595 438 3HD2 LEU 84 3HD2 LEU 84 -10.622 12.866 -2.107 439 H LEU 85 H LEU 85 -9.079 11.664 1.748 440 HA LEU 85 HA LEU 85 -11.542 10.266 2.544 441 1HB LEU 85 1HB LEU 85 -8.696 9.374 1.959 442 2HB LEU 85 2HB LEU 85 -9.988 8.263 2.477 443 HG LEU 85 HG LEU 85 -10.826 9.863 0.172 444 1HD1 LEU 85 1HD1 LEU 85 -9.269 8.830 -1.444 445 2HD1 LEU 85 2HD1 LEU 85 -8.669 10.091 -0.371 446 3HD1 LEU 85 3HD1 LEU 85 -8.213 8.407 -0.059 447 1HD2 LEU 85 1HD2 LEU 85 -11.215 7.599 -0.780 448 2HD2 LEU 85 2HD2 LEU 85 -10.376 6.857 0.587 449 3HD2 LEU 85 3HD2 LEU 85 -11.904 7.726 0.851 450 H ALA 86 H ALA 86 -11.608 8.777 4.373 451 HA ALA 86 HA ALA 86 -10.768 9.956 6.816 452 1HB ALA 86 1HB ALA 86 -11.722 7.100 6.346 453 2HB ALA 86 2HB ALA 86 -11.791 8.012 7.859 454 3HB ALA 86 3HB ALA 86 -12.801 8.500 6.489 455 H ASP 87 H ASP 87 -9.550 8.867 8.553 456 HA ASP 87 HA ASP 87 -6.933 7.968 7.765 457 1HB ASP 87 1HB ASP 87 -6.539 7.906 10.138 458 2HB ASP 87 2HB ASP 87 -7.564 9.318 9.786 459 HD2 ASP 87 HD ASP 87 -8.915 6.658 12.302 460 H ASP 88 H ASP 88 -9.814 6.308 7.916 461 HA ASP 88 HA ASP 88 -8.305 3.746 7.892 462 1HB ASP 88 1HB ASP 88 -9.656 4.312 10.066 463 2HB ASP 88 2HB ASP 88 -11.025 3.724 9.141 464 HD2 ASP 88 HD ASP 88 -8.012 1.125 9.804 465 H ALA 89 H ALA 89 -9.266 5.331 5.668 466 HA ALA 89 HA ALA 89 -11.471 3.625 4.764 467 1HB ALA 89 1HB ALA 89 -12.036 5.924 4.435 468 2HB ALA 89 2HB ALA 89 -10.474 6.282 3.676 469 3HB ALA 89 3HB ALA 89 -11.652 5.292 2.825 470 H CYS 90 H CYS 90 -11.260 2.310 2.848 471 HA CYS 90 HA CYS 90 -8.589 1.426 2.174 472 1HB CYS 90 1HB CYS 90 -11.318 0.820 1.010 473 2HB CYS 90 2HB CYS 90 -9.825 -0.038 0.572 474 HG CYS 90 HG CYS 90 -11.345 -1.596 2.002 475 H VAL 91 H VAL 91 -7.664 3.520 1.324 476 HA VAL 91 HA VAL 91 -8.854 4.830 -0.890 477 HB VAL 91 HB VAL 91 -5.861 4.772 -0.252 478 1HG1 VAL 91 1HG1 VAL 91 -5.973 7.101 -1.107 479 2HG1 VAL 91 2HG1 VAL 91 -6.354 5.897 -2.346 480 3HG1 VAL 91 3HG1 VAL 91 -7.659 6.830 -1.582 481 1HG2 VAL 91 1HG2 VAL 91 -6.956 5.314 1.793 482 2HG2 VAL 91 2HG2 VAL 91 -6.349 6.818 1.125 483 3HG2 VAL 91 3HG2 VAL 91 -8.080 6.420 0.982 484 HA PRO 92 HA PRO 92 -7.527 1.902 -4.030 485 1HB PRO 92 1HB PRO 92 -8.246 3.162 -6.314 486 2HB PRO 92 2HB PRO 92 -9.469 2.542 -5.163 487 1HG PRO 92 1HG PRO 92 -8.374 5.360 -5.374 488 2HG PRO 92 2HG PRO 92 -10.088 4.833 -5.281 489 1HD PRO 92 1HD PRO 92 -8.649 5.685 -3.095 490 2HD PRO 92 2HD PRO 92 -9.928 4.454 -2.966 491 H LEU 93 H LEU 93 -5.390 2.342 -3.144 492 HA LEU 93 HA LEU 93 -3.698 4.465 -3.995 493 1HB LEU 93 1HB LEU 93 -3.374 2.734 -2.108 494 2HB LEU 93 2HB LEU 93 -2.744 1.637 -3.334 495 HG LEU 93 HG LEU 93 -1.644 4.434 -2.740 496 1HD1 LEU 93 1HD1 LEU 93 -0.296 1.833 -2.048 497 2HD1 LEU 93 2HD1 LEU 93 0.050 3.472 -1.482 498 3HD1 LEU 93 3HD1 LEU 93 -1.398 2.626 -0.933 499 1HD2 LEU 93 1HD2 LEU 93 0.407 3.554 -3.908 500 2HD2 LEU 93 2HD2 LEU 93 -0.612 2.217 -4.528 501 3HD2 LEU 93 3HD2 LEU 93 -0.972 3.883 -4.935 502 H THR 94 H THR 94 -4.102 1.140 -5.300 503 HA THR 94 HA THR 94 -2.224 1.616 -7.429 504 HB THR 94 HB THR 94 -2.812 -0.681 -8.064 505 HG1 THR 94 1HG THR 94 -4.742 -1.289 -7.626 506 1HG2 THR 94 1HG2 THR 94 -1.247 -0.146 -6.150 507 2HG2 THR 94 2HG2 THR 94 -2.580 -0.478 -5.036 508 3HG2 THR 94 3HG2 THR 94 -1.993 -1.766 -6.102 509 H THR 95 H THR 95 -5.161 3.068 -7.202 510 HA THR 95 HA THR 95 -5.311 3.201 -10.168 511 HB THR 95 HB THR 95 -7.487 4.026 -8.217 512 HG1 THR 95 1HG THR 95 -7.150 1.619 -9.663 513 1HG2 THR 95 1HG2 THR 95 -8.946 3.896 -10.233 514 2HG2 THR 95 2HG2 THR 95 -7.668 5.095 -10.397 515 3HG2 THR 95 3HG2 THR 95 -7.521 3.522 -11.220 516 H MET 96 H MET 96 -5.667 5.077 -7.108 517 HA MET 96 HA MET 96 -5.568 7.593 -8.405 518 1HB MET 96 1HB MET 96 -5.491 6.566 -5.580 519 2HB MET 96 2HB MET 96 -5.034 8.266 -5.899 520 1HG MET 96 1HG MET 96 -7.116 8.727 -6.954 521 2HG MET 96 2HG MET 96 -7.612 7.035 -6.893 522 1HE MET 96 1HE MET 96 -6.957 8.886 -2.733 523 2HE MET 96 2HE MET 96 -5.894 7.752 -3.602 524 3HE MET 96 3HE MET 96 -6.023 9.456 -4.139 525 H VAL 97 H VAL 97 -2.880 5.554 -7.023 526 HA VAL 97 HA VAL 97 -1.057 7.634 -8.118 527 HB VAL 97 HB VAL 97 -0.439 5.408 -6.178 528 1HG1 VAL 97 1HG1 VAL 97 1.204 7.732 -7.187 529 2HG1 VAL 97 2HG1 VAL 97 1.672 6.646 -5.853 530 3HG1 VAL 97 3HG1 VAL 97 1.459 6.018 -7.497 531 1HG2 VAL 97 1HG2 VAL 97 -1.155 8.301 -5.640 532 2HG2 VAL 97 2HG2 VAL 97 -1.813 6.849 -4.894 533 3HG2 VAL 97 3HG2 VAL 97 -0.163 7.351 -4.501 534 H GLN 98 H GLN 98 -0.376 7.132 -10.087 535 HA GLN 98 HA GLN 98 -0.526 4.367 -11.123 536 1HB GLN 98 1HB GLN 98 -1.176 6.741 -12.244 537 2HB GLN 98 2HB GLN 98 0.541 6.734 -12.658 538 1HG GLN 98 1HG GLN 98 0.136 4.343 -13.551 539 2HG GLN 98 2HG GLN 98 -1.597 4.670 -13.351 540 1HE2 GLN 98 1HE2 GLN 98 0.127 4.182 -15.711 541 2HE2 GLN 98 2HE2 GLN 98 -0.137 5.490 -16.844 542 H ASP 99 H ASP 99 1.391 3.370 -11.922 543 HA ASP 99 HA ASP 99 3.512 2.601 -11.841 544 1HB ASP 99 1HB ASP 99 4.364 4.922 -12.208 545 2HB ASP 99 2HB ASP 99 4.490 5.096 -10.456 546 HD2 ASP 99 HD ASP 99 6.979 2.500 -12.181 547 H ALA 100 H ALA 100 1.707 3.584 -9.139 548 HA ALA 100 HA ALA 100 3.280 2.012 -7.165 549 1HB ALA 100 1HB ALA 100 1.444 2.598 -5.686 550 2HB ALA 100 2HB ALA 100 2.077 4.084 -6.425 551 3HB ALA 100 3HB ALA 100 0.547 3.372 -6.999 552 H THR 101 H THR 101 2.411 0.172 -6.275 553 HA THR 101 HA THR 101 0.167 -1.244 -7.524 554 HB THR 101 HB THR 101 1.755 -3.165 -8.075 555 HG1 THR 101 1HG THR 101 3.839 -2.578 -8.602 556 1HG2 THR 101 1HG2 THR 101 2.177 -0.786 -9.905 557 2HG2 THR 101 2HG2 THR 101 2.155 -2.507 -10.321 558 3HG2 THR 101 3HG2 THR 101 0.658 -1.707 -9.830 559 H ALA 102 H ALA 102 -0.236 -3.298 -6.329 560 HA ALA 102 HA ALA 102 1.284 -3.589 -3.808 561 1HB ALA 102 1HB ALA 102 -0.809 -4.224 -2.707 562 2HB ALA 102 2HB ALA 102 -0.886 -2.547 -3.287 563 3HB ALA 102 3HB ALA 102 -1.731 -3.835 -4.177 564 H HIS 103 H HIS 103 2.407 -5.361 -3.919 565 HA HIS 103 HA HIS 103 1.197 -7.829 -5.124 566 1HB HIS 103 1HB HIS 103 2.848 -7.079 -6.578 567 2HB HIS 103 2HB HIS 103 3.950 -6.596 -5.290 568 HD1 HIS 103 1HD HIS 103 5.604 -7.925 -6.981 569 HD2 HIS 103 2HD HIS 103 2.905 -10.199 -4.669 570 HE1 HIS 103 1HE HIS 103 6.404 -10.346 -7.086 571 HE2 HIS 103 2HE HIS 103 4.769 -11.763 -5.670 572 H LEU 104 H LEU 104 0.532 -8.970 -3.351 573 HA LEU 104 HA LEU 104 2.111 -8.920 -0.867 574 1HB LEU 104 1HB LEU 104 -0.043 -8.771 -0.374 575 2HB LEU 104 2HB LEU 104 -0.637 -9.855 -1.588 576 HG LEU 104 HG LEU 104 -0.594 -10.332 0.945 577 1HD1 LEU 104 1HD1 LEU 104 -1.658 -11.784 -0.719 578 2HD1 LEU 104 2HD1 LEU 104 -0.126 -12.684 -0.830 579 3HD1 LEU 104 3HD1 LEU 104 -1.014 -12.621 0.703 580 1HD2 LEU 104 1HD2 LEU 104 0.940 -11.527 1.976 581 2HD2 LEU 104 2HD2 LEU 104 1.824 -11.856 0.499 582 3HD2 LEU 104 3HD2 LEU 104 1.788 -10.197 1.145 583 H ASP 105 H ASP 105 3.950 -9.957 -0.910 584 HA ASP 105 HA ASP 105 4.461 -12.362 -2.485 585 1HB ASP 105 1HB ASP 105 6.093 -10.431 -1.951 586 2HB ASP 105 2HB ASP 105 6.256 -11.122 -0.347 587 HD2 ASP 105 HD ASP 105 8.407 -12.657 -3.119 588 H VAL 106 H VAL 106 2.503 -13.461 -1.143 589 HA VAL 106 HA VAL 106 2.805 -13.853 1.550 590 HB VAL 106 HB VAL 106 0.949 -14.557 -0.202 591 1HG1 VAL 106 1HG1 VAL 106 2.046 -16.539 -1.083 592 2HG1 VAL 106 2HG1 VAL 106 2.012 -17.300 0.531 593 3HG1 VAL 106 3HG1 VAL 106 0.502 -16.910 -0.318 594 1HG2 VAL 106 1HG2 VAL 106 0.585 -14.158 2.155 595 2HG2 VAL 106 2HG2 VAL 106 -0.197 -15.667 1.712 596 3HG2 VAL 106 3HG2 VAL 106 1.351 -15.702 2.590 597 H GLY 107 H GLY 107 4.801 -15.322 -0.859 598 1HA GLY 107 1HA GLY 107 5.550 -17.607 0.641 599 2HA GLY 107 2HA GLY 107 6.448 -16.914 -0.738 600 H GLN 108 H GLN 108 6.699 -14.158 0.502 601 HA GLN 108 HA GLN 108 8.742 -14.886 2.541 602 1HB GLN 108 1HB GLN 108 8.897 -13.552 0.103 603 2HB GLN 108 2HB GLN 108 8.936 -12.230 1.247 604 1HG GLN 108 1HG GLN 108 11.219 -13.147 0.655 605 2HG GLN 108 2HG GLN 108 10.875 -13.319 2.391 606 1HE2 GLN 108 1HE2 GLN 108 9.985 -15.336 -0.557 607 2HE2 GLN 108 2HE2 GLN 108 10.332 -16.820 0.329 608 H GLN 109 H GLN 109 5.692 -13.642 2.634 609 HA GLN 109 HA GLN 109 4.548 -12.237 4.021 610 1HB GLN 109 1HB GLN 109 6.631 -12.927 6.055 611 2HB GLN 109 2HB GLN 109 5.094 -12.053 6.343 612 1HG GLN 109 1HG GLN 109 3.983 -14.055 5.126 613 2HG GLN 109 2HG GLN 109 5.484 -14.925 5.460 614 1HE2 GLN 109 1HE2 GLN 109 2.732 -13.220 6.982 615 2HE2 GLN 109 2HE2 GLN 109 2.820 -14.117 8.482 616 H ARG 110 H ARG 110 6.031 -11.078 2.144 617 HA ARG 110 HA ARG 110 6.797 -8.420 3.265 618 1HB ARG 110 1HB ARG 110 8.712 -9.347 2.244 619 2HB ARG 110 2HB ARG 110 7.771 -10.006 0.888 620 1HG ARG 110 1HG ARG 110 7.321 -7.709 0.094 621 2HG ARG 110 2HG ARG 110 8.280 -7.059 1.423 622 1HD ARG 110 1HD ARG 110 9.573 -7.135 -0.658 623 2HD ARG 110 2HD ARG 110 10.255 -8.152 0.628 624 HE ARG 110 HE ARG 110 8.507 -9.350 -1.450 625 1HH1 ARG 110 2HH2 ARG 110 11.819 -9.113 -0.045 626 2HH1 ARG 110 1HH2 ARG 110 12.424 -10.279 -1.154 627 1HH2 ARG 110 2HH1 ARG 110 9.379 -11.326 -2.493 628 2HH2 ARG 110 1HH1 ARG 110 11.099 -11.557 -2.368 629 H LEU 111 H LEU 111 5.551 -6.735 2.517 630 HA LEU 111 HA LEU 111 3.562 -7.185 0.383 631 1HB LEU 111 1HB LEU 111 3.384 -5.565 2.581 632 2HB LEU 111 2HB LEU 111 4.069 -4.420 1.410 633 HG LEU 111 HG LEU 111 1.561 -5.910 1.075 634 1HD1 LEU 111 1HD1 LEU 111 0.412 -3.739 1.268 635 2HD1 LEU 111 2HD1 LEU 111 1.090 -4.467 2.728 636 3HD1 LEU 111 3HD1 LEU 111 1.925 -3.127 1.971 637 1HD2 LEU 111 1HD2 LEU 111 1.076 -4.553 -0.867 638 2HD2 LEU 111 2HD2 LEU 111 2.881 -4.401 -0.975 639 3HD2 LEU 111 3HD2 LEU 111 2.087 -5.974 -0.991 640 H ASN 112 H ASN 112 4.728 -7.184 -1.637 641 HA ASN 112 HA ASN 112 7.105 -5.443 -1.988 642 1HB ASN 112 1HB ASN 112 5.643 -7.364 -3.802 643 2HB ASN 112 2HB ASN 112 6.714 -6.074 -4.434 644 1HD2 ASN 112 1HD2 ASN 112 6.615 -9.240 -3.433 645 2HD2 ASN 112 2HD2 ASN 112 8.318 -9.478 -3.599 646 H LEU 113 H LEU 113 6.075 -3.612 -1.291 647 HA LEU 113 HA LEU 113 3.812 -2.622 -2.843 648 1HB LEU 113 1HB LEU 113 4.883 -2.412 -0.188 649 2HB LEU 113 2HB LEU 113 4.878 -0.788 -0.871 650 HG LEU 113 HG LEU 113 2.737 -2.377 0.208 651 1HD1 LEU 113 1HD1 LEU 113 1.676 -0.323 0.362 652 2HD1 LEU 113 2HD1 LEU 113 3.391 -0.103 0.754 653 3HD1 LEU 113 3HD1 LEU 113 2.809 0.418 -0.872 654 1HD2 LEU 113 1HD2 LEU 113 1.932 -2.829 -2.062 655 2HD2 LEU 113 2HD2 LEU 113 0.873 -1.701 -1.240 656 3HD2 LEU 113 3HD2 LEU 113 2.049 -1.109 -2.442 657 H THR 114 H THR 114 3.920 -0.479 -4.067 658 HA THR 114 HA THR 114 6.623 0.694 -4.240 659 HB THR 114 HB THR 114 4.839 -0.302 -6.514 660 HG1 THR 114 1HG THR 114 7.292 -1.375 -5.511 661 1HG2 THR 114 1HG2 THR 114 6.050 1.633 -7.118 662 2HG2 THR 114 2HG2 THR 114 7.544 1.012 -6.369 663 3HG2 THR 114 3HG2 THR 114 6.881 0.240 -7.840 664 H ILE 115 H ILE 115 6.599 2.891 -4.831 665 HA ILE 115 HA ILE 115 4.236 4.225 -5.828 666 HB ILE 115 HB ILE 115 5.368 4.778 -3.054 667 1HG1 ILE 115 1HG1 ILE 115 2.570 4.527 -4.214 668 2HG1 ILE 115 2HG1 ILE 115 3.372 3.398 -3.098 669 1HG2 ILE 115 1HG2 ILE 115 5.509 6.933 -4.198 670 2HG2 ILE 115 2HG2 ILE 115 3.803 6.808 -4.683 671 3HG2 ILE 115 3HG2 ILE 115 4.282 6.983 -2.981 672 1HD1 ILE 115 1HD1 ILE 115 3.408 5.266 -1.396 673 2HD1 ILE 115 2HD1 ILE 115 2.250 6.105 -2.476 674 3HD1 ILE 115 3HD1 ILE 115 1.850 4.518 -1.788 675 HA PRO 116 HA PRO 116 7.682 6.191 -7.899 676 1HB PRO 116 1HB PRO 116 6.376 8.254 -9.099 677 2HB PRO 116 2HB PRO 116 6.286 6.584 -9.689 678 1HG PRO 116 1HG PRO 116 4.342 8.046 -7.899 679 2HG PRO 116 2HG PRO 116 3.992 7.082 -9.358 680 1HD PRO 116 1HD PRO 116 3.760 6.073 -6.816 681 2HD PRO 116 2HD PRO 116 4.339 5.040 -8.146 682 H GLN 117 H GLN 117 8.983 7.966 -7.453 683 HA GLN 117 HA GLN 117 8.928 9.141 -4.931 684 1HB GLN 117 1HB GLN 117 10.296 10.204 -7.418 685 2HB GLN 117 2HB GLN 117 10.692 10.666 -5.750 686 1HG GLN 117 1HG GLN 117 10.922 7.831 -6.823 687 2HG GLN 117 2HG GLN 117 12.249 9.027 -6.819 688 1HE2 GLN 117 1HE2 GLN 117 10.621 6.587 -4.970 689 2HE2 GLN 117 2HE2 GLN 117 11.456 6.875 -3.464 690 H ALA 118 H ALA 118 7.483 10.464 -7.903 691 HA ALA 118 HA ALA 118 6.961 13.096 -7.094 692 1HB ALA 118 1HB ALA 118 5.361 11.198 -8.865 693 2HB ALA 118 2HB ALA 118 5.093 12.955 -8.752 694 3HB ALA 118 3HB ALA 118 6.623 12.322 -9.377 695 H PHE 119 H PHE 119 5.494 10.159 -5.753 696 HA PHE 119 HA PHE 119 3.369 11.838 -4.481 697 1HB PHE 119 1HB PHE 119 3.496 8.923 -5.291 698 2HB PHE 119 2HB PHE 119 2.219 9.625 -4.293 699 HD1 PHE 119 1HD PHE 119 3.826 10.246 -7.688 700 HD2 PHE 119 2HD PHE 119 0.249 9.986 -5.351 701 HE1 PHE 119 1HE PHE 119 2.510 10.663 -9.700 702 HE2 PHE 119 2HE PHE 119 -1.113 10.337 -7.425 703 HZ PHE 119 HZ PHE 119 0.026 10.613 -9.614 704 H MET 120 H MET 120 6.191 11.687 -3.660 705 HA MET 120 HA MET 120 5.826 10.428 -0.994 706 1HB MET 120 1HB MET 120 8.281 10.291 -2.782 707 2HB MET 120 2HB MET 120 8.194 9.744 -1.092 708 1HG MET 120 1HG MET 120 6.047 8.455 -2.216 709 2HG MET 120 2HG MET 120 7.186 8.468 -3.563 710 1HE MET 120 1HE MET 120 7.601 8.229 0.382 711 2HE MET 120 2HE MET 120 6.252 7.146 -0.016 712 3HE MET 120 3HE MET 120 7.787 6.488 0.591 713 H SER 121 H SER 121 6.559 11.630 0.659 714 HA SER 121 HA SER 121 7.119 14.456 0.195 715 1HB SER 121 1HB SER 121 5.596 13.598 1.954 716 2HB SER 121 2HB SER 121 6.948 12.769 2.730 717 HG SER 121 HG SER 121 7.413 14.519 3.658 718 H ASN 122 H ASN 122 9.115 13.999 -1.021 719 HA ASN 122 HA ASN 122 11.348 14.196 -1.223 720 1HB ASN 122 1HB ASN 122 11.047 14.913 1.694 721 2HB ASN 122 2HB ASN 122 12.622 14.963 0.875 722 1HD2 ASN 122 1HD2 ASN 122 11.212 17.227 2.081 723 2HD2 ASN 122 2HD2 ASN 122 10.817 18.333 0.795 724 H ARG 123 H ARG 123 11.230 12.624 1.974 725 HA ARG 123 HA ARG 123 11.896 10.068 0.850 726 1HB ARG 123 1HB ARG 123 13.741 11.222 2.939 727 2HB ARG 123 2HB ARG 123 13.538 9.479 2.654 728 1HG ARG 123 1HG ARG 123 14.039 10.422 0.100 729 2HG ARG 123 2HG ARG 123 14.991 11.559 1.087 730 1HD ARG 123 1HD ARG 123 16.606 9.975 0.938 731 2HD ARG 123 2HD ARG 123 15.680 9.178 2.228 732 HE ARG 123 HE ARG 123 14.671 8.449 -0.357 733 1HH1 ARG 123 2HH2 ARG 123 17.305 7.683 1.923 734 2HH1 ARG 123 1HH2 ARG 123 17.532 6.081 1.260 735 1HH2 ARG 123 2HH1 ARG 123 14.863 6.280 -0.994 736 2HH2 ARG 123 1HH1 ARG 123 16.185 5.314 -0.425 737 H ALA 124 H ALA 124 10.834 8.484 1.860 738 HA ALA 124 HA ALA 124 9.381 8.867 4.378 739 1HB ALA 124 1HB ALA 124 8.778 7.209 2.551 740 2HB ALA 124 2HB ALA 124 10.313 6.370 2.862 741 3HB ALA 124 3HB ALA 124 9.067 6.453 4.133 742 H ARG 125 H ARG 125 10.053 7.945 6.358 743 HA ARG 125 HA ARG 125 12.832 7.103 6.632 744 1HB ARG 125 1HB ARG 125 11.802 9.715 7.785 745 2HB ARG 125 2HB ARG 125 13.164 8.751 8.476 746 1HG ARG 125 1HG ARG 125 14.392 10.169 7.366 747 2HG ARG 125 2HG ARG 125 14.175 8.938 6.138 748 1HD ARG 125 1HD ARG 125 13.976 11.161 5.162 749 2HD ARG 125 2HD ARG 125 12.398 10.422 5.084 750 HE ARG 125 HE ARG 125 12.679 11.854 7.568 751 1HH1 ARG 125 2HH2 ARG 125 11.402 12.476 4.430 752 2HH1 ARG 125 1HH2 ARG 125 11.488 14.212 4.510 753 1HH2 ARG 125 2HH1 ARG 125 12.973 14.182 7.749 754 2HH2 ARG 125 1HH1 ARG 125 12.372 15.196 6.486 Start of MODEL 7 1 1H GLY 25 H GLY 25 -9.957 -11.243 -15.240 2 1HA GLY 25 1HA GLY 25 -9.231 -13.300 -14.113 3 2HA GLY 25 2HA GLY 25 -7.836 -12.388 -14.742 4 H GLN 26 H GLN 26 -8.172 -14.227 -12.249 5 HA GLN 26 HA GLN 26 -6.904 -12.523 -10.323 6 1HB GLN 26 1HB GLN 26 -8.596 -12.037 -8.898 7 2HB GLN 26 2HB GLN 26 -9.582 -12.111 -10.369 8 1HG GLN 26 1HG GLN 26 -10.877 -13.294 -8.969 9 2HG GLN 26 2HG GLN 26 -9.964 -14.614 -9.660 10 1HE2 GLN 26 1HE2 GLN 26 -8.465 -12.455 -7.173 11 2HE2 GLN 26 2HE2 GLN 26 -8.711 -13.499 -5.839 12 H GLU 27 H GLU 27 -6.420 -13.826 -8.280 13 HA GLU 27 HA GLU 27 -6.648 -16.708 -8.531 14 1HB GLU 27 1HB GLU 27 -4.119 -16.917 -8.715 15 2HB GLU 27 2HB GLU 27 -4.906 -16.249 -10.166 16 1HG GLU 27 1HG GLU 27 -4.301 -13.965 -9.443 17 2HG GLU 27 2HG GLU 27 -3.483 -14.653 -8.024 18 HE2 GLU 27 HE GLU 27 -0.676 -15.448 -9.886 19 H LEU 28 H LEU 28 -7.106 -14.509 -6.534 20 HA LEU 28 HA LEU 28 -6.466 -16.198 -4.316 21 1HB LEU 28 1HB LEU 28 -5.193 -13.465 -4.420 22 2HB LEU 28 2HB LEU 28 -5.597 -14.235 -2.860 23 HG LEU 28 HG LEU 28 -3.563 -15.217 -4.880 24 1HD1 LEU 28 1HD1 LEU 28 -1.972 -14.623 -3.127 25 2HD1 LEU 28 2HD1 LEU 28 -2.944 -13.215 -3.523 26 3HD1 LEU 28 3HD1 LEU 28 -3.277 -14.138 -2.033 27 1HD2 LEU 28 1HD2 LEU 28 -4.579 -17.178 -3.758 28 2HD2 LEU 28 2HD2 LEU 28 -2.966 -16.882 -3.113 29 3HD2 LEU 28 3HD2 LEU 28 -4.387 -16.395 -2.172 30 HA PRO 29 HA PRO 29 -10.385 -14.209 -3.177 31 1HB PRO 29 1HB PRO 29 -11.032 -15.711 -0.996 32 2HB PRO 29 2HB PRO 29 -11.114 -16.372 -2.657 33 1HG PRO 29 1HG PRO 29 -8.844 -16.626 -0.656 34 2HG PRO 29 2HG PRO 29 -9.627 -17.945 -1.585 35 1HD PRO 29 1HD PRO 29 -7.299 -16.754 -2.385 36 2HD PRO 29 2HD PRO 29 -8.501 -17.313 -3.569 37 HA PRO 30 HA PRO 30 -9.047 -11.216 -0.232 38 1HB PRO 30 1HB PRO 30 -11.263 -10.288 0.965 39 2HB PRO 30 2HB PRO 30 -10.994 -10.157 -0.795 40 1HG PRO 30 1HG PRO 30 -12.493 -12.353 0.681 41 2HG PRO 30 2HG PRO 30 -13.137 -11.338 -0.632 42 1HD PRO 30 1HD PRO 30 -12.077 -13.768 -1.156 43 2HD PRO 30 2HD PRO 30 -11.686 -12.407 -2.239 44 H GLY 31 H GLY 31 -9.327 -10.359 2.313 45 1HA GLY 31 1HA GLY 31 -9.950 -11.919 4.453 46 2HA GLY 31 2HA GLY 31 -8.467 -12.689 3.876 47 H THR 32 H THR 32 -7.201 -12.141 5.686 48 HA THR 32 HA THR 32 -6.012 -9.522 5.416 49 HB THR 32 HB THR 32 -7.634 -9.359 7.362 50 HG1 THR 32 1HG THR 32 -4.943 -9.024 8.083 51 1HG2 THR 32 1HG2 THR 32 -7.367 -11.436 8.590 52 2HG2 THR 32 2HG2 THR 32 -5.626 -11.201 8.747 53 3HG2 THR 32 3HG2 THR 32 -6.701 -10.106 9.591 54 H TYR 33 H TYR 33 -3.749 -9.596 5.572 55 HA TYR 33 HA TYR 33 -2.568 -12.138 6.397 56 1HB TYR 33 1HB TYR 33 -0.832 -11.680 4.482 57 2HB TYR 33 2HB TYR 33 -2.253 -12.729 4.312 58 HD1 TYR 33 1HD TYR 33 -1.657 -8.968 3.805 59 HD2 TYR 33 2HD TYR 33 -2.958 -12.741 2.155 60 HE1 TYR 33 1HE TYR 33 -2.599 -7.798 1.830 61 HE2 TYR 33 2HE TYR 33 -3.677 -11.620 0.131 62 HH TYR 33 HH TYR 33 -3.874 -9.524 -0.987 63 H ARG 34 H ARG 34 -0.684 -11.972 7.455 64 HA ARG 34 HA ARG 34 0.014 -9.272 8.400 65 1HB ARG 34 1HB ARG 34 -0.563 -11.234 9.913 66 2HB ARG 34 2HB ARG 34 0.980 -11.951 9.466 67 1HG ARG 34 1HG ARG 34 0.587 -9.244 10.797 68 2HG ARG 34 2HG ARG 34 1.010 -10.768 11.619 69 1HD ARG 34 1HD ARG 34 3.036 -10.615 9.806 70 2HD ARG 34 2HD ARG 34 2.708 -8.888 10.008 71 HE ARG 34 HE ARG 34 3.474 -9.016 12.233 72 1HH1 ARG 34 2HH2 ARG 34 3.910 -12.154 10.689 73 2HH1 ARG 34 1HH2 ARG 34 3.896 -13.062 12.185 74 1HH2 ARG 34 2HH1 ARG 34 3.931 -10.177 14.247 75 2HH2 ARG 34 1HH1 ARG 34 4.213 -11.886 14.127 76 H VAL 35 H VAL 35 1.535 -8.205 7.148 77 HA VAL 35 HA VAL 35 3.992 -9.679 6.422 78 HB VAL 35 HB VAL 35 3.749 -8.841 4.077 79 1HG1 VAL 35 1HG1 VAL 35 2.910 -11.193 4.935 80 2HG1 VAL 35 2HG1 VAL 35 1.324 -10.567 4.473 81 3HG1 VAL 35 3HG1 VAL 35 2.665 -10.662 3.293 82 1HG2 VAL 35 1HG2 VAL 35 2.115 -7.030 4.444 83 2HG2 VAL 35 2HG2 VAL 35 1.590 -8.193 3.204 84 3HG2 VAL 35 3HG2 VAL 35 0.853 -8.231 4.816 85 H ASP 36 H ASP 36 5.502 -8.170 5.245 86 HA ASP 36 HA ASP 36 5.688 -5.745 6.935 87 1HB ASP 36 1HB ASP 36 7.932 -6.519 5.149 88 2HB ASP 36 2HB ASP 36 7.915 -5.721 6.739 89 HD2 ASP 36 HD ASP 36 8.771 -9.489 6.615 90 H ILE 37 H ILE 37 5.182 -3.919 6.011 91 HA ILE 37 HA ILE 37 4.531 -3.623 3.174 92 HB ILE 37 HB ILE 37 4.587 -1.735 5.597 93 1HG1 ILE 37 1HG1 ILE 37 1.997 -1.798 4.898 94 2HG1 ILE 37 2HG1 ILE 37 2.436 -3.423 4.356 95 1HG2 ILE 37 1HG2 ILE 37 3.405 -0.069 4.264 96 2HG2 ILE 37 2HG2 ILE 37 4.970 -0.406 3.568 97 3HG2 ILE 37 3HG2 ILE 37 3.517 -1.109 2.818 98 1HD1 ILE 37 1HD1 ILE 37 3.141 -4.026 6.645 99 2HD1 ILE 37 2HD1 ILE 37 2.790 -2.374 7.190 100 3HD1 ILE 37 3HD1 ILE 37 1.487 -3.423 6.641 101 H TYR 38 H TYR 38 6.246 -3.574 1.817 102 HA TYR 38 HA TYR 38 8.706 -2.099 2.617 103 1HB TYR 38 1HB TYR 38 8.301 -4.524 0.903 104 2HB TYR 38 2HB TYR 38 9.523 -3.326 0.408 105 HD1 TYR 38 1HD TYR 38 11.634 -3.220 1.406 106 HD2 TYR 38 2HD TYR 38 8.526 -5.555 3.235 107 HE1 TYR 38 1HE TYR 38 13.260 -4.032 3.053 108 HE2 TYR 38 2HE TYR 38 10.185 -6.465 4.865 109 HH TYR 38 HH TYR 38 13.465 -5.063 5.110 110 H LEU 39 H LEU 39 8.223 -0.053 1.949 111 HA LEU 39 HA LEU 39 6.819 0.306 -0.659 112 1HB LEU 39 1HB LEU 39 5.707 1.487 1.080 113 2HB LEU 39 2HB LEU 39 7.200 2.240 1.631 114 HG LEU 39 HG LEU 39 6.592 2.662 -1.251 115 1HD1 LEU 39 1HD1 LEU 39 4.836 4.225 -1.056 116 2HD1 LEU 39 2HD1 LEU 39 4.277 2.769 -0.220 117 3HD1 LEU 39 3HD1 LEU 39 4.838 4.153 0.717 118 1HD2 LEU 39 1HD2 LEU 39 8.390 3.896 0.015 119 2HD2 LEU 39 2HD2 LEU 39 7.204 4.965 -0.746 120 3HD2 LEU 39 3HD2 LEU 39 7.110 4.646 0.994 121 H ASN 40 H ASN 40 8.012 0.653 -2.280 122 HA ASN 40 HA ASN 40 9.737 1.010 -3.632 123 1HB ASN 40 1HB ASN 40 10.091 3.412 -1.838 124 2HB ASN 40 2HB ASN 40 11.084 3.127 -3.295 125 1HD2 ASN 40 1HD2 ASN 40 9.051 5.254 -2.613 126 2HD2 ASN 40 2HD2 ASN 40 7.987 5.268 -4.003 127 H ASN 41 H ASN 41 10.164 -1.021 -2.186 128 HA ASN 41 HA ASN 41 11.629 -2.525 -1.544 129 1HB ASN 41 1HB ASN 41 13.750 -0.615 -2.535 130 2HB ASN 41 2HB ASN 41 13.916 -2.372 -2.276 131 1HD2 ASN 41 1HD2 ASN 41 13.114 0.059 -4.580 132 2HD2 ASN 41 2HD2 ASN 41 12.733 -1.097 -5.843 133 H GLY 42 H GLY 42 11.017 -0.198 0.485 134 1HA GLY 42 1HA GLY 42 13.202 -0.936 2.385 135 2HA GLY 42 2HA GLY 42 12.637 0.736 2.209 136 H TYR 43 H TYR 43 12.424 -1.506 4.355 137 HA TYR 43 HA TYR 43 9.653 -2.189 4.716 138 1HB TYR 43 1HB TYR 43 11.051 -3.515 5.946 139 2HB TYR 43 2HB TYR 43 12.191 -2.217 6.321 140 HD1 TYR 43 1HD TYR 43 11.874 -0.718 8.187 141 HD2 TYR 43 2HD TYR 43 9.033 -3.854 7.334 142 HE1 TYR 43 1HE TYR 43 10.861 -0.383 10.402 143 HE2 TYR 43 2HE TYR 43 8.012 -3.530 9.542 144 HH TYR 43 HH TYR 43 9.202 -0.998 11.799 145 H MET 44 H MET 44 8.032 -0.970 5.535 146 HA MET 44 HA MET 44 8.657 1.632 6.884 147 1HB MET 44 1HB MET 44 6.290 0.772 5.191 148 2HB MET 44 2HB MET 44 6.366 2.290 6.124 149 1HG MET 44 1HG MET 44 8.345 1.496 3.967 150 2HG MET 44 2HG MET 44 6.946 2.563 3.736 151 1HE MET 44 1HE MET 44 10.127 3.071 3.141 152 2HE MET 44 2HE MET 44 8.780 4.098 2.585 153 3HE MET 44 3HE MET 44 10.145 4.829 3.454 154 H ALA 45 H ALA 45 6.480 -1.286 6.948 155 HA ALA 45 HA ALA 45 6.160 -1.058 9.807 156 1HB ALA 45 1HB ALA 45 4.430 0.550 9.184 157 2HB ALA 45 2HB ALA 45 3.827 -0.501 7.890 158 3HB ALA 45 3HB ALA 45 3.592 -0.960 9.593 159 H THR 46 H THR 46 4.570 -2.916 10.493 160 HA THR 46 HA THR 46 4.299 -5.083 8.596 161 HB THR 46 HB THR 46 6.073 -5.456 11.046 162 HG1 THR 46 1HG THR 46 7.176 -6.478 8.925 163 1HG2 THR 46 1HG2 THR 46 6.235 -7.824 10.292 164 2HG2 THR 46 2HG2 THR 46 4.610 -7.411 10.833 165 3HG2 THR 46 3HG2 THR 46 4.973 -7.531 9.094 166 H ARG 47 H ARG 47 2.268 -5.868 9.003 167 HA ARG 47 HA ARG 47 1.300 -6.529 11.550 168 1HB ARG 47 1HB ARG 47 -0.655 -4.848 11.547 169 2HB ARG 47 2HB ARG 47 0.918 -4.379 12.228 170 1HG ARG 47 1HG ARG 47 0.451 -2.474 11.131 171 2HG ARG 47 2HG ARG 47 1.198 -3.306 9.761 172 1HD ARG 47 1HD ARG 47 -0.863 -2.067 9.243 173 2HD ARG 47 2HD ARG 47 -0.826 -3.768 8.734 174 HE ARG 47 HE ARG 47 -2.545 -4.266 10.086 175 1HH1 ARG 47 2HH2 ARG 47 -1.933 -0.737 10.492 176 2HH1 ARG 47 1HH2 ARG 47 -3.391 -0.541 11.408 177 1HH2 ARG 47 2HH1 ARG 47 -4.358 -3.928 11.364 178 2HH2 ARG 47 1HH1 ARG 47 -4.936 -2.319 11.552 179 H ASP 48 H ASP 48 -1.314 -6.624 11.267 180 HA ASP 48 HA ASP 48 -1.660 -8.415 8.999 181 1HB ASP 48 1HB ASP 48 -2.686 -8.539 11.498 182 2HB ASP 48 2HB ASP 48 -4.027 -7.739 10.669 183 HD2 ASP 48 HD ASP 48 -3.973 -11.475 10.156 184 H VAL 49 H VAL 49 -2.068 -7.622 7.086 185 HA VAL 49 HA VAL 49 -3.247 -4.917 6.793 186 HB VAL 49 HB VAL 49 -1.827 -6.521 4.653 187 1HG1 VAL 49 1HG1 VAL 49 -1.463 -4.270 3.714 188 2HG1 VAL 49 2HG1 VAL 49 -3.204 -4.537 4.030 189 3HG1 VAL 49 3HG1 VAL 49 -2.250 -3.532 5.118 190 1HG2 VAL 49 1HG2 VAL 49 -0.540 -4.725 6.738 191 2HG2 VAL 49 2HG2 VAL 49 -0.128 -6.401 6.330 192 3HG2 VAL 49 3HG2 VAL 49 0.213 -5.114 5.175 193 H THR 50 H THR 50 -5.490 -5.323 6.851 194 HA THR 50 HA THR 50 -6.680 -7.692 5.690 195 HB THR 50 HB THR 50 -7.848 -5.021 6.501 196 HG1 THR 50 1HG THR 50 -6.921 -7.253 7.833 197 1HG2 THR 50 1HG2 THR 50 -9.945 -6.241 6.821 198 2HG2 THR 50 2HG2 THR 50 -9.434 -6.353 5.135 199 3HG2 THR 50 3HG2 THR 50 -9.185 -7.737 6.223 200 H PHE 51 H PHE 51 -7.568 -8.003 3.491 201 HA PHE 51 HA PHE 51 -7.189 -5.743 1.714 202 1HB PHE 51 1HB PHE 51 -6.360 -7.499 0.145 203 2HB PHE 51 2HB PHE 51 -5.283 -7.234 1.529 204 HD1 PHE 51 1HD PHE 51 -7.446 -9.572 -0.172 205 HD2 PHE 51 2HD PHE 51 -5.142 -8.927 3.361 206 HE1 PHE 51 1HE PHE 51 -7.087 -12.040 0.080 207 HE2 PHE 51 2HE PHE 51 -5.017 -11.418 3.696 208 HZ PHE 51 HZ PHE 51 -5.885 -12.936 2.066 209 H ASN 52 H ASN 52 -8.572 -5.941 -0.132 210 HA ASN 52 HA ASN 52 -11.041 -7.529 0.364 211 1HB ASN 52 1HB ASN 52 -10.853 -4.545 -0.126 212 2HB ASN 52 2HB ASN 52 -12.349 -5.507 -0.274 213 1HD2 ASN 52 1HD2 ASN 52 -9.763 -4.795 2.130 214 2HD2 ASN 52 2HD2 ASN 52 -10.858 -4.695 3.495 215 H THR 53 H THR 53 -12.481 -7.368 -1.616 216 HA THR 53 HA THR 53 -10.796 -8.641 -3.579 217 HB THR 53 HB THR 53 -13.798 -8.334 -3.871 218 HG1 THR 53 1HG THR 53 -13.378 -8.981 -1.650 219 1HG2 THR 53 1HG2 THR 53 -12.300 -9.585 -5.534 220 2HG2 THR 53 2HG2 THR 53 -11.907 -10.718 -4.193 221 3HG2 THR 53 3HG2 THR 53 -13.572 -10.562 -4.792 222 H GLY 54 H GLY 54 -9.938 -7.658 -5.362 223 1HA GLY 54 1HA GLY 54 -11.330 -5.426 -6.658 224 2HA GLY 54 2HA GLY 54 -9.795 -5.061 -5.876 225 H ASP 55 H ASP 55 -8.440 -4.800 -7.569 226 HA ASP 55 HA ASP 55 -8.330 -6.748 -9.789 227 1HB ASP 55 1HB ASP 55 -8.274 -4.513 -11.176 228 2HB ASP 55 2HB ASP 55 -9.815 -5.274 -10.704 229 HD2 ASP 55 HD ASP 55 -10.835 -2.334 -9.318 230 H SER 56 H SER 56 -6.264 -7.430 -9.068 231 HA SER 56 HA SER 56 -4.175 -5.799 -10.104 232 1HB SER 56 1HB SER 56 -4.520 -6.140 -7.176 233 2HB SER 56 2HB SER 56 -2.926 -6.695 -7.736 234 HG SER 56 HG SER 56 -3.322 -4.345 -7.155 235 H GLU 57 H GLU 57 -2.063 -7.361 -9.647 236 HA GLU 57 HA GLU 57 -2.016 -9.565 -11.176 237 1HB GLU 57 1HB GLU 57 -0.616 -9.033 -8.532 238 2HB GLU 57 2HB GLU 57 -0.217 -10.436 -9.535 239 1HG GLU 57 1HG GLU 57 -0.137 -7.614 -10.643 240 2HG GLU 57 2HG GLU 57 1.238 -8.310 -9.745 241 HE2 GLU 57 HE GLU 57 1.992 -10.527 -12.348 242 H GLN 58 H GLN 58 -2.607 -9.769 -7.620 243 HA GLN 58 HA GLN 58 -3.405 -12.541 -8.029 244 1HB GLN 58 1HB GLN 58 -3.435 -11.371 -5.311 245 2HB GLN 58 2HB GLN 58 -2.998 -13.002 -5.890 246 1HG GLN 58 1HG GLN 58 -0.908 -12.267 -5.327 247 2HG GLN 58 2HG GLN 58 -0.920 -11.629 -6.965 248 1HE2 GLN 58 1HE2 GLN 58 -0.949 -10.862 -3.535 249 2HE2 GLN 58 2HE2 GLN 58 -1.350 -9.135 -3.698 250 H GLY 59 H GLY 59 -5.009 -9.510 -7.572 251 1HA GLY 59 1HA GLY 59 -7.329 -9.420 -8.312 252 2HA GLY 59 2HA GLY 59 -7.604 -10.952 -7.510 253 H ILE 60 H ILE 60 -5.718 -9.055 -5.514 254 HA ILE 60 HA ILE 60 -8.007 -8.097 -3.872 255 HB ILE 60 HB ILE 60 -6.563 -9.124 -1.899 256 1HG1 ILE 60 1HG1 ILE 60 -5.842 -11.098 -4.111 257 2HG1 ILE 60 2HG1 ILE 60 -4.705 -9.876 -3.478 258 1HG2 ILE 60 1HG2 ILE 60 -8.889 -9.751 -2.444 259 2HG2 ILE 60 2HG2 ILE 60 -8.340 -10.779 -3.785 260 3HG2 ILE 60 3HG2 ILE 60 -7.961 -11.227 -2.127 261 1HD1 ILE 60 1HD1 ILE 60 -5.952 -12.174 -1.954 262 2HD1 ILE 60 2HD1 ILE 60 -4.230 -11.849 -2.280 263 3HD1 ILE 60 3HD1 ILE 60 -5.143 -10.794 -1.194 264 H VAL 61 H VAL 61 -7.605 -6.289 -2.662 265 HA VAL 61 HA VAL 61 -4.885 -5.200 -2.993 266 HB VAL 61 HB VAL 61 -5.659 -3.087 -3.498 267 1HG1 VAL 61 1HG1 VAL 61 -5.820 -4.805 -5.352 268 2HG1 VAL 61 2HG1 VAL 61 -7.552 -4.950 -5.016 269 3HG1 VAL 61 3HG1 VAL 61 -6.890 -3.407 -5.571 270 1HG2 VAL 61 1HG2 VAL 61 -8.062 -2.441 -3.655 271 2HG2 VAL 61 2HG2 VAL 61 -8.515 -3.977 -2.881 272 3HG2 VAL 61 3HG2 VAL 61 -7.542 -2.762 -2.002 273 HA PRO 62 HA PRO 62 -4.957 -5.099 1.484 274 1HB PRO 62 1HB PRO 62 -2.708 -3.289 1.559 275 2HB PRO 62 2HB PRO 62 -2.768 -5.038 1.914 276 1HG PRO 62 1HG PRO 62 -1.472 -3.933 -0.273 277 2HG PRO 62 2HG PRO 62 -2.051 -5.663 -0.134 278 1HD PRO 62 1HD PRO 62 -3.276 -3.368 -1.607 279 2HD PRO 62 2HD PRO 62 -3.190 -5.096 -2.001 280 H CYS 63 H CYS 63 -5.547 -3.667 3.132 281 HA CYS 63 HA CYS 63 -6.749 -1.112 2.396 282 1HB CYS 63 1HB CYS 63 -7.863 -2.630 3.931 283 2HB CYS 63 2HB CYS 63 -6.464 -2.614 5.029 284 HG CYS 63 HG CYS 63 -8.427 -1.298 6.109 285 H LEU 64 H LEU 64 -4.807 -0.026 1.680 286 HA LEU 64 HA LEU 64 -2.972 0.842 3.892 287 1HB LEU 64 1HB LEU 64 -2.896 1.480 0.918 288 2HB LEU 64 2HB LEU 64 -1.797 2.069 2.203 289 HG LEU 64 HG LEU 64 -1.665 -0.705 2.471 290 1HD1 LEU 64 1HD1 LEU 64 -2.904 -1.013 0.328 291 2HD1 LEU 64 2HD1 LEU 64 -1.655 -0.105 -0.529 292 3HD1 LEU 64 3HD1 LEU 64 -1.243 -1.638 0.240 293 1HD2 LEU 64 1HD2 LEU 64 0.577 -0.538 1.551 294 2HD2 LEU 64 2HD2 LEU 64 0.186 1.008 0.768 295 3HD2 LEU 64 3HD2 LEU 64 0.228 0.889 2.540 296 H THR 65 H THR 65 -3.693 2.588 5.037 297 HA THR 65 HA THR 65 -5.935 4.117 3.992 298 HB THR 65 HB THR 65 -6.443 4.640 6.230 299 HG1 THR 65 1HG THR 65 -5.071 4.401 7.868 300 1HG2 THR 65 1HG2 THR 65 -6.960 2.270 5.763 301 2HG2 THR 65 2HG2 THR 65 -5.338 1.775 6.281 302 3HG2 THR 65 3HG2 THR 65 -6.452 2.470 7.441 303 H ARG 66 H ARG 66 -6.032 6.525 4.788 304 HA ARG 66 HA ARG 66 -3.958 7.950 3.524 305 1HB ARG 66 1HB ARG 66 -6.474 8.413 4.843 306 2HB ARG 66 2HB ARG 66 -5.346 9.568 5.527 307 1HG ARG 66 1HG ARG 66 -5.653 9.065 2.538 308 2HG ARG 66 2HG ARG 66 -6.610 10.281 3.385 309 1HD ARG 66 1HD ARG 66 -3.607 10.198 3.114 310 2HD ARG 66 2HD ARG 66 -4.683 11.329 2.311 311 HE ARG 66 HE ARG 66 -3.549 11.557 4.915 312 1HH1 ARG 66 2HH2 ARG 66 -6.715 12.195 3.427 313 2HH1 ARG 66 1HH2 ARG 66 -7.007 13.589 4.430 314 1HH2 ARG 66 2HH1 ARG 66 -4.193 13.111 6.420 315 2HH2 ARG 66 1HH1 ARG 66 -5.485 14.196 6.042 316 H ALA 67 H ALA 67 -4.428 7.107 6.852 317 HA ALA 67 HA ALA 67 -2.122 8.480 7.964 318 1HB ALA 67 1HB ALA 67 -3.553 5.946 8.876 319 2HB ALA 67 2HB ALA 67 -2.123 6.625 9.680 320 3HB ALA 67 3HB ALA 67 -3.600 7.587 9.590 321 H GLN 68 H GLN 68 -2.563 5.067 6.918 322 HA GLN 68 HA GLN 68 0.041 4.182 7.398 323 1HB GLN 68 1HB GLN 68 -2.019 3.378 5.325 324 2HB GLN 68 2HB GLN 68 -0.571 2.427 5.589 325 1HG GLN 68 1HG GLN 68 -2.424 3.118 7.894 326 2HG GLN 68 2HG GLN 68 -2.812 1.800 6.755 327 1HE2 GLN 68 1HE2 GLN 68 -2.656 0.208 8.293 328 2HE2 GLN 68 2HE2 GLN 68 -1.076 -0.521 8.280 329 H LEU 69 H LEU 69 -1.264 5.538 4.356 330 HA LEU 69 HA LEU 69 1.178 5.116 2.906 331 1HB LEU 69 1HB LEU 69 -1.158 6.985 2.353 332 2HB LEU 69 2HB LEU 69 0.113 6.535 1.181 333 HG LEU 69 HG LEU 69 -1.604 4.454 2.501 334 1HD1 LEU 69 1HD1 LEU 69 -3.094 5.994 1.340 335 2HD1 LEU 69 2HD1 LEU 69 -2.097 5.935 -0.119 336 3HD1 LEU 69 3HD1 LEU 69 -2.975 4.483 0.430 337 1HD2 LEU 69 1HD2 LEU 69 0.306 3.477 1.675 338 2HD2 LEU 69 2HD2 LEU 69 -0.901 3.208 0.437 339 3HD2 LEU 69 3HD2 LEU 69 0.331 4.473 0.201 340 H ALA 70 H ALA 70 -0.236 8.089 4.420 341 HA ALA 70 HA ALA 70 2.049 9.711 3.787 342 1HB ALA 70 1HB ALA 70 -0.194 10.598 4.375 343 2HB ALA 70 2HB ALA 70 0.060 10.009 6.050 344 3HB ALA 70 3HB ALA 70 1.108 11.277 5.371 345 H SER 71 H SER 71 1.550 7.227 6.187 346 HA SER 71 HA SER 71 3.495 8.117 8.141 347 1HB SER 71 1HB SER 71 2.664 5.279 7.444 348 2HB SER 71 2HB SER 71 3.569 5.803 8.890 349 HG SER 71 HG SER 71 0.988 6.790 8.240 350 H MET 72 H MET 72 3.656 6.142 5.169 351 HA MET 72 HA MET 72 6.473 5.602 5.223 352 1HB MET 72 1HB MET 72 5.123 5.830 2.607 353 2HB MET 72 2HB MET 72 6.221 4.597 3.230 354 1HG MET 72 1HG MET 72 3.893 4.299 4.750 355 2HG MET 72 2HG MET 72 3.329 4.753 3.120 356 1HE MET 72 1HE MET 72 1.978 2.634 3.171 357 2HE MET 72 2HE MET 72 2.674 3.120 1.588 358 3HE MET 72 3HE MET 72 2.619 1.391 2.043 359 H GLY 73 H GLY 73 4.789 8.547 4.763 360 1HA GLY 73 1HA GLY 73 5.459 10.599 3.946 361 2HA GLY 73 2HA GLY 73 6.948 9.886 3.320 362 H LEU 74 H LEU 74 3.862 8.295 2.395 363 HA LEU 74 HA LEU 74 4.260 9.005 -0.374 364 1HB LEU 74 1HB LEU 74 3.118 7.091 -0.211 365 2HB LEU 74 2HB LEU 74 2.096 7.644 1.113 366 HG LEU 74 HG LEU 74 0.970 7.146 -0.979 367 1HD1 LEU 74 1HD1 LEU 74 0.172 8.807 0.875 368 2HD1 LEU 74 2HD1 LEU 74 0.267 9.960 -0.459 369 3HD1 LEU 74 3HD1 LEU 74 -0.736 8.518 -0.615 370 1HD2 LEU 74 1HD2 LEU 74 0.910 8.336 -2.904 371 2HD2 LEU 74 2HD2 LEU 74 1.712 9.741 -2.240 372 3HD2 LEU 74 3HD2 LEU 74 2.639 8.264 -2.534 373 H ASN 75 H ASN 75 3.442 10.682 -1.465 374 HA ASN 75 HA ASN 75 2.653 13.057 0.133 375 1HB ASN 75 1HB ASN 75 4.509 13.141 -1.636 376 2HB ASN 75 2HB ASN 75 3.228 13.089 -2.850 377 1HD2 ASN 75 1HD2 ASN 75 5.090 15.346 -2.273 378 2HD2 ASN 75 2HD2 ASN 75 4.130 16.667 -1.694 379 H THR 76 H THR 76 0.517 12.445 0.649 380 HA THR 76 HA THR 76 -1.486 11.697 -1.203 381 HB THR 76 HB THR 76 -2.945 12.508 0.765 382 HG1 THR 76 1HG THR 76 -1.678 13.340 2.591 383 1HG2 THR 76 1HG2 THR 76 -1.949 10.291 1.077 384 2HG2 THR 76 2HG2 THR 76 -0.427 11.012 1.660 385 3HG2 THR 76 3HG2 THR 76 -1.880 11.188 2.609 386 H ALA 77 H ALA 77 -0.143 14.928 -0.430 387 HA ALA 77 HA ALA 77 -2.441 16.286 -1.597 388 1HB ALA 77 1HB ALA 77 -1.177 17.364 0.151 389 2HB ALA 77 2HB ALA 77 0.315 17.240 -0.827 390 3HB ALA 77 3HB ALA 77 -1.024 18.273 -1.373 391 H SER 78 H SER 78 0.483 14.778 -2.899 392 HA SER 78 HA SER 78 0.537 16.300 -5.339 393 1HB SER 78 1HB SER 78 1.491 13.510 -4.620 394 2HB SER 78 2HB SER 78 1.812 14.356 -6.158 395 HG SER 78 HG SER 78 3.070 15.756 -5.222 396 H VAL 79 H VAL 79 -1.827 13.951 -4.128 397 HA VAL 79 HA VAL 79 -2.809 13.547 -6.876 398 HB VAL 79 HB VAL 79 -1.632 11.722 -6.392 399 1HG1 VAL 79 1HG1 VAL 79 -2.391 11.631 -3.537 400 2HG1 VAL 79 2HG1 VAL 79 -1.589 10.303 -4.428 401 3HG1 VAL 79 3HG1 VAL 79 -0.787 11.844 -4.315 402 1HG2 VAL 79 1HG2 VAL 79 -3.856 11.122 -7.156 403 2HG2 VAL 79 2HG2 VAL 79 -3.219 9.849 -6.110 404 3HG2 VAL 79 3HG2 VAL 79 -4.438 10.983 -5.489 405 H ALA 80 H ALA 80 -4.684 14.452 -7.112 406 HA ALA 80 HA ALA 80 -6.295 15.517 -5.101 407 1HB ALA 80 1HB ALA 80 -8.022 15.675 -6.881 408 2HB ALA 80 2HB ALA 80 -6.428 16.203 -7.450 409 3HB ALA 80 3HB ALA 80 -7.047 14.601 -7.908 410 H GLY 81 H GLY 81 -8.380 14.928 -4.308 411 1HA GLY 81 1HA GLY 81 -9.966 13.495 -3.452 412 2HA GLY 81 2HA GLY 81 -9.463 12.279 -4.641 413 H MET 82 H MET 82 -6.712 13.290 -2.824 414 HA MET 82 HA MET 82 -6.994 10.854 -1.161 415 1HB MET 82 1HB MET 82 -4.995 11.374 -2.693 416 2HB MET 82 2HB MET 82 -4.471 12.442 -1.384 417 1HG MET 82 1HG MET 82 -4.403 10.664 0.191 418 2HG MET 82 2HG MET 82 -5.374 9.598 -0.839 419 1HE MET 82 1HE MET 82 -4.515 8.277 -2.875 420 2HE MET 82 2HE MET 82 -4.156 9.830 -3.646 421 3HE MET 82 3HE MET 82 -2.930 8.568 -3.643 422 H ASN 83 H ASN 83 -6.338 14.332 -0.808 423 HA ASN 83 HA ASN 83 -5.644 14.172 1.906 424 1HB ASN 83 1HB ASN 83 -5.627 16.544 1.900 425 2HB ASN 83 2HB ASN 83 -5.102 16.020 0.301 426 1HD2 ASN 83 1HD2 ASN 83 -6.213 16.771 -1.459 427 2HD2 ASN 83 2HD2 ASN 83 -7.440 18.029 -1.248 428 H LEU 84 H LEU 84 -8.611 13.462 0.834 429 HA LEU 84 HA LEU 84 -10.060 14.523 3.147 430 1HB LEU 84 1HB LEU 84 -12.086 14.076 1.655 431 2HB LEU 84 2HB LEU 84 -11.148 15.573 1.542 432 HG LEU 84 HG LEU 84 -11.880 14.721 -0.619 433 1HD1 LEU 84 1HD1 LEU 84 -10.064 15.427 -1.706 434 2HD1 LEU 84 2HD1 LEU 84 -9.574 15.857 -0.050 435 3HD1 LEU 84 3HD1 LEU 84 -8.941 14.391 -0.832 436 1HD2 LEU 84 1HD2 LEU 84 -11.044 12.681 -1.593 437 2HD2 LEU 84 2HD2 LEU 84 -9.963 12.375 -0.225 438 3HD2 LEU 84 3HD2 LEU 84 -11.725 12.251 -0.028 439 H LEU 85 H LEU 85 -8.670 11.671 2.017 440 HA LEU 85 HA LEU 85 -10.850 9.835 2.701 441 1HB LEU 85 1HB LEU 85 -7.985 9.653 1.776 442 2HB LEU 85 2HB LEU 85 -8.687 8.215 2.506 443 HG LEU 85 HG LEU 85 -10.089 9.776 0.297 444 1HD1 LEU 85 1HD1 LEU 85 -7.736 9.043 -0.381 445 2HD1 LEU 85 2HD1 LEU 85 -8.353 7.377 -0.265 446 3HD1 LEU 85 3HD1 LEU 85 -9.083 8.517 -1.402 447 1HD2 LEU 85 1HD2 LEU 85 -11.140 7.571 -0.192 448 2HD2 LEU 85 2HD2 LEU 85 -10.261 6.844 1.157 449 3HD2 LEU 85 3HD2 LEU 85 -11.489 8.090 1.459 450 H ALA 86 H ALA 86 -11.002 8.560 4.607 451 HA ALA 86 HA ALA 86 -9.937 9.781 6.965 452 1HB ALA 86 1HB ALA 86 -12.112 8.513 6.843 453 2HB ALA 86 2HB ALA 86 -11.165 7.013 6.696 454 3HB ALA 86 3HB ALA 86 -11.047 7.984 8.158 455 H ASP 87 H ASP 87 -8.663 8.753 8.579 456 HA ASP 87 HA ASP 87 -6.205 7.590 7.615 457 1HB ASP 87 1HB ASP 87 -7.328 8.280 10.328 458 2HB ASP 87 2HB ASP 87 -5.747 7.496 10.132 459 HD2 ASP 87 HD ASP 87 -5.197 10.787 8.227 460 H ASP 88 H ASP 88 -9.168 6.180 8.091 461 HA ASP 88 HA ASP 88 -8.047 3.447 8.395 462 1HB ASP 88 1HB ASP 88 -10.272 2.962 9.415 463 2HB ASP 88 2HB ASP 88 -9.226 4.080 10.307 464 HD2 ASP 88 HD ASP 88 -12.563 5.627 8.758 465 H ALA 89 H ALA 89 -8.570 5.121 5.928 466 HA ALA 89 HA ALA 89 -10.953 3.779 4.990 467 1HB ALA 89 1HB ALA 89 -9.255 5.935 3.655 468 2HB ALA 89 2HB ALA 89 -10.861 5.383 3.106 469 3HB ALA 89 3HB ALA 89 -10.691 6.204 4.670 470 H CYS 90 H CYS 90 -10.927 2.326 3.056 471 HA CYS 90 HA CYS 90 -8.290 1.221 2.326 472 1HB CYS 90 1HB CYS 90 -11.066 0.747 1.200 473 2HB CYS 90 2HB CYS 90 -9.570 -0.064 0.637 474 HG CYS 90 HG CYS 90 -11.030 -1.748 1.984 475 H VAL 91 H VAL 91 -7.209 3.181 1.578 476 HA VAL 91 HA VAL 91 -8.338 4.931 -0.342 477 HB VAL 91 HB VAL 91 -5.424 4.242 0.203 478 1HG1 VAL 91 1HG1 VAL 91 -6.478 6.696 -1.233 479 2HG1 VAL 91 2HG1 VAL 91 -4.820 6.440 -0.692 480 3HG1 VAL 91 3HG1 VAL 91 -5.503 5.400 -1.921 481 1HG2 VAL 91 1HG2 VAL 91 -6.618 5.083 2.209 482 2HG2 VAL 91 2HG2 VAL 91 -5.417 6.246 1.644 483 3HG2 VAL 91 3HG2 VAL 91 -7.143 6.508 1.324 484 HA PRO 92 HA PRO 92 -7.650 2.365 -4.119 485 1HB PRO 92 1HB PRO 92 -7.711 4.342 -6.012 486 2HB PRO 92 2HB PRO 92 -9.189 3.703 -5.250 487 1HG PRO 92 1HG PRO 92 -7.593 6.154 -4.453 488 2HG PRO 92 2HG PRO 92 -9.348 6.021 -4.778 489 1HD PRO 92 1HD PRO 92 -8.361 5.942 -2.241 490 2HD PRO 92 2HD PRO 92 -9.687 4.838 -2.717 491 H LEU 93 H LEU 93 -5.465 1.929 -3.222 492 HA LEU 93 HA LEU 93 -3.502 3.965 -3.352 493 1HB LEU 93 1HB LEU 93 -3.510 2.062 -1.748 494 2HB LEU 93 2HB LEU 93 -3.023 0.981 -3.042 495 HG LEU 93 HG LEU 93 -1.324 1.967 -1.325 496 1HD1 LEU 93 1HD1 LEU 93 -0.570 0.553 -3.122 497 2HD1 LEU 93 2HD1 LEU 93 -0.504 1.953 -4.234 498 3HD1 LEU 93 3HD1 LEU 93 0.551 1.886 -2.801 499 1HD2 LEU 93 1HD2 LEU 93 -1.077 4.195 -3.370 500 2HD2 LEU 93 2HD2 LEU 93 -1.860 4.365 -1.766 501 3HD2 LEU 93 3HD2 LEU 93 -0.148 3.946 -1.899 502 H THR 94 H THR 94 -4.269 1.225 -5.415 503 HA THR 94 HA THR 94 -2.130 1.944 -7.303 504 HB THR 94 HB THR 94 -2.879 -0.356 -8.234 505 HG1 THR 94 1HG THR 94 -4.489 -1.271 -7.232 506 1HG2 THR 94 1HG2 THR 94 -0.910 0.094 -6.720 507 2HG2 THR 94 2HG2 THR 94 -1.951 -0.257 -5.321 508 3HG2 THR 94 3HG2 THR 94 -1.617 -1.523 -6.532 509 H THR 95 H THR 95 -5.562 2.612 -7.065 510 HA THR 95 HA THR 95 -5.751 2.986 -10.002 511 HB THR 95 HB THR 95 -7.615 3.271 -7.668 512 HG1 THR 95 1HG THR 95 -7.307 1.349 -9.158 513 1HG2 THR 95 1HG2 THR 95 -9.345 4.211 -9.160 514 2HG2 THR 95 2HG2 THR 95 -8.038 5.352 -8.888 515 3HG2 THR 95 3HG2 THR 95 -8.105 4.455 -10.419 516 H MET 96 H MET 96 -5.755 5.090 -6.975 517 HA MET 96 HA MET 96 -5.719 7.398 -8.622 518 1HB MET 96 1HB MET 96 -6.049 6.750 -5.839 519 2HB MET 96 2HB MET 96 -4.853 8.055 -5.945 520 1HG MET 96 1HG MET 96 -6.323 9.540 -6.889 521 2HG MET 96 2HG MET 96 -7.352 8.284 -7.601 522 1HE MET 96 1HE MET 96 -6.395 10.021 -4.131 523 2HE MET 96 2HE MET 96 -7.651 9.296 -3.091 524 3HE MET 96 3HE MET 96 -6.384 8.267 -3.764 525 H VAL 97 H VAL 97 -3.054 5.431 -7.609 526 HA VAL 97 HA VAL 97 -1.149 7.602 -8.312 527 HB VAL 97 HB VAL 97 -0.613 5.202 -6.531 528 1HG1 VAL 97 1HG1 VAL 97 1.374 5.955 -7.678 529 2HG1 VAL 97 2HG1 VAL 97 1.073 7.628 -7.246 530 3HG1 VAL 97 3HG1 VAL 97 1.473 6.443 -5.979 531 1HG2 VAL 97 1HG2 VAL 97 -0.501 6.837 -4.656 532 2HG2 VAL 97 2HG2 VAL 97 -1.143 8.102 -5.720 533 3HG2 VAL 97 3HG2 VAL 97 -2.125 6.692 -5.340 534 H GLN 98 H GLN 98 -0.569 7.306 -10.351 535 HA GLN 98 HA GLN 98 -0.642 4.752 -11.732 536 1HB GLN 98 1HB GLN 98 -0.782 7.211 -12.675 537 2HB GLN 98 2HB GLN 98 0.986 7.180 -12.585 538 1HG GLN 98 1HG GLN 98 0.225 6.597 -14.837 539 2HG GLN 98 2HG GLN 98 1.009 5.201 -14.108 540 1HE2 GLN 98 1HE2 GLN 98 -0.163 3.270 -14.468 541 2HE2 GLN 98 2HE2 GLN 98 -1.922 3.199 -14.503 542 H ASP 99 H ASP 99 1.360 3.669 -12.488 543 HA ASP 99 HA ASP 99 3.410 2.831 -12.393 544 1HB ASP 99 1HB ASP 99 4.086 5.348 -12.091 545 2HB ASP 99 2HB ASP 99 4.459 4.867 -10.435 546 HD2 ASP 99 HD ASP 99 7.440 4.536 -12.480 547 H ALA 100 H ALA 100 1.942 3.798 -9.350 548 HA ALA 100 HA ALA 100 3.340 2.075 -7.600 549 1HB ALA 100 1HB ALA 100 0.469 3.125 -7.432 550 2HB ALA 100 2HB ALA 100 1.404 2.480 -6.076 551 3HB ALA 100 3HB ALA 100 1.933 3.976 -6.861 552 H THR 101 H THR 101 2.681 0.241 -6.524 553 HA THR 101 HA THR 101 0.484 -1.414 -7.509 554 HB THR 101 HB THR 101 2.007 -3.441 -7.631 555 HG1 THR 101 1HG THR 101 4.031 -1.605 -8.363 556 1HG2 THR 101 1HG2 THR 101 2.359 -1.405 -9.869 557 2HG2 THR 101 2HG2 THR 101 2.409 -3.177 -9.994 558 3HG2 THR 101 3HG2 THR 101 0.891 -2.366 -9.598 559 H ALA 102 H ALA 102 0.038 -3.243 -5.979 560 HA ALA 102 HA ALA 102 1.379 -3.157 -3.379 561 1HB ALA 102 1HB ALA 102 -1.655 -3.055 -3.816 562 2HB ALA 102 2HB ALA 102 -0.810 -3.180 -2.260 563 3HB ALA 102 3HB ALA 102 -0.660 -1.706 -3.225 564 H HIS 103 H HIS 103 2.403 -5.057 -3.766 565 HA HIS 103 HA HIS 103 0.822 -7.383 -4.639 566 1HB HIS 103 1HB HIS 103 2.298 -7.053 -6.323 567 2HB HIS 103 2HB HIS 103 3.521 -6.299 -5.288 568 HD1 HIS 103 1HD HIS 103 5.352 -7.660 -6.480 569 HD2 HIS 103 2HD HIS 103 2.472 -9.978 -4.462 570 HE1 HIS 103 1HE HIS 103 6.318 -10.036 -6.291 571 HE2 HIS 103 2HE HIS 103 4.540 -11.460 -5.095 572 H LEU 104 H LEU 104 0.338 -8.635 -3.027 573 HA LEU 104 HA LEU 104 1.872 -8.844 -0.523 574 1HB LEU 104 1HB LEU 104 -0.428 -8.815 -0.342 575 2HB LEU 104 2HB LEU 104 -0.700 -10.025 -1.571 576 HG LEU 104 HG LEU 104 -0.843 -10.473 0.963 577 1HD1 LEU 104 1HD1 LEU 104 -1.449 -12.061 -0.762 578 2HD1 LEU 104 2HD1 LEU 104 0.234 -12.636 -0.813 579 3HD1 LEU 104 3HD1 LEU 104 -0.741 -12.816 0.666 580 1HD2 LEU 104 1HD2 LEU 104 2.007 -11.168 0.817 581 2HD2 LEU 104 2HD2 LEU 104 1.303 -9.749 1.587 582 3HD2 LEU 104 3HD2 LEU 104 0.867 -11.393 2.137 583 H ASP 105 H ASP 105 3.837 -9.878 -0.875 584 HA ASP 105 HA ASP 105 3.997 -12.493 -2.215 585 1HB ASP 105 1HB ASP 105 6.013 -10.951 -2.109 586 2HB ASP 105 2HB ASP 105 6.017 -11.195 -0.351 587 HD2 ASP 105 HD ASP 105 6.416 -14.806 -1.712 588 H VAL 106 H VAL 106 2.321 -13.629 -0.939 589 HA VAL 106 HA VAL 106 2.486 -13.753 1.901 590 HB VAL 106 HB VAL 106 0.741 -14.664 0.101 591 1HG1 VAL 106 1HG1 VAL 106 2.044 -17.262 0.972 592 2HG1 VAL 106 2HG1 VAL 106 0.568 -17.068 0.023 593 3HG1 VAL 106 3HG1 VAL 106 2.113 -16.570 -0.667 594 1HG2 VAL 106 1HG2 VAL 106 -0.453 -15.721 1.915 595 2HG2 VAL 106 2HG2 VAL 106 1.039 -15.760 2.914 596 3HG2 VAL 106 3HG2 VAL 106 0.301 -14.218 2.448 597 H GLY 107 H GLY 107 4.594 -15.158 -0.533 598 1HA GLY 107 1HA GLY 107 5.405 -17.498 0.876 599 2HA GLY 107 2HA GLY 107 6.201 -16.739 -0.515 600 H GLN 108 H GLN 108 6.725 -14.176 0.696 601 HA GLN 108 HA GLN 108 8.582 -14.904 2.915 602 1HB GLN 108 1HB GLN 108 9.463 -14.164 0.584 603 2HB GLN 108 2HB GLN 108 8.978 -12.536 1.084 604 1HG GLN 108 1HG GLN 108 11.277 -12.716 1.625 605 2HG GLN 108 2HG GLN 108 10.458 -12.933 3.173 606 1HE2 GLN 108 1HE2 GLN 108 13.024 -14.018 1.503 607 2HE2 GLN 108 2HE2 GLN 108 12.952 -15.750 1.767 608 H GLN 109 H GLN 109 5.681 -13.886 2.772 609 HA GLN 109 HA GLN 109 4.309 -12.405 3.709 610 1HB GLN 109 1HB GLN 109 6.330 -12.828 5.934 611 2HB GLN 109 2HB GLN 109 4.808 -11.929 6.142 612 1HG GLN 109 1HG GLN 109 3.610 -13.965 5.212 613 2HG GLN 109 2HG GLN 109 5.153 -14.838 5.294 614 1HE2 GLN 109 1HE2 GLN 109 2.748 -13.063 7.396 615 2HE2 GLN 109 2HE2 GLN 109 2.903 -14.247 8.679 616 H ARG 110 H ARG 110 5.429 -11.080 1.885 617 HA ARG 110 HA ARG 110 6.415 -8.512 3.024 618 1HB ARG 110 1HB ARG 110 8.170 -10.053 2.074 619 2HB ARG 110 2HB ARG 110 7.464 -9.732 0.488 620 1HG ARG 110 1HG ARG 110 7.750 -7.195 1.137 621 2HG ARG 110 2HG ARG 110 8.825 -7.843 2.412 622 1HD ARG 110 1HD ARG 110 9.894 -9.212 0.468 623 2HD ARG 110 2HD ARG 110 9.114 -8.059 -0.600 624 HE ARG 110 HE ARG 110 11.079 -7.406 1.555 625 1HH1 ARG 110 2HH2 ARG 110 10.021 -6.859 -1.876 626 2HH1 ARG 110 1HH2 ARG 110 11.467 -5.986 -2.237 627 1HH2 ARG 110 2HH1 ARG 110 12.949 -6.119 0.894 628 2HH2 ARG 110 1HH1 ARG 110 13.018 -5.551 -0.744 629 H LEU 111 H LEU 111 4.991 -6.944 2.605 630 HA LEU 111 HA LEU 111 3.286 -7.162 0.220 631 1HB LEU 111 1HB LEU 111 2.099 -6.380 2.134 632 2HB LEU 111 2HB LEU 111 3.333 -5.170 2.492 633 HG LEU 111 HG LEU 111 2.747 -4.028 0.339 634 1HD1 LEU 111 1HD1 LEU 111 0.684 -4.578 -0.845 635 2HD1 LEU 111 2HD1 LEU 111 1.867 -5.863 -0.961 636 3HD1 LEU 111 3HD1 LEU 111 0.493 -6.043 0.148 637 1HD2 LEU 111 1HD2 LEU 111 0.634 -4.449 2.466 638 2HD2 LEU 111 2HD2 LEU 111 1.794 -3.118 2.281 639 3HD2 LEU 111 3HD2 LEU 111 0.439 -3.251 1.156 640 H ASN 112 H ASN 112 4.724 -6.978 -1.388 641 HA ASN 112 HA ASN 112 6.871 -5.018 -1.635 642 1HB ASN 112 1HB ASN 112 5.427 -6.898 -3.547 643 2HB ASN 112 2HB ASN 112 6.619 -5.681 -4.094 644 1HD2 ASN 112 1HD2 ASN 112 6.228 -8.807 -2.411 645 2HD2 ASN 112 2HD2 ASN 112 7.945 -9.136 -2.403 646 H LEU 113 H LEU 113 6.323 -2.905 -1.705 647 HA LEU 113 HA LEU 113 3.774 -2.081 -2.993 648 1HB LEU 113 1HB LEU 113 4.059 -2.219 -0.375 649 2HB LEU 113 2HB LEU 113 5.050 -0.772 -0.565 650 HG LEU 113 HG LEU 113 2.863 -0.180 0.131 651 1HD1 LEU 113 1HD1 LEU 113 2.890 0.612 -2.784 652 2HD1 LEU 113 2HD1 LEU 113 2.433 1.563 -1.359 653 3HD1 LEU 113 3HD1 LEU 113 4.143 1.163 -1.664 654 1HD2 LEU 113 1HD2 LEU 113 1.679 -2.214 -0.849 655 2HD2 LEU 113 2HD2 LEU 113 0.822 -0.664 -1.040 656 3HD2 LEU 113 3HD2 LEU 113 1.697 -1.367 -2.396 657 H THR 114 H THR 114 4.103 -0.333 -4.484 658 HA THR 114 HA THR 114 6.778 0.954 -4.401 659 HB THR 114 HB THR 114 5.370 -0.330 -6.802 660 HG1 THR 114 1HG THR 114 7.878 -1.020 -5.659 661 1HG2 THR 114 1HG2 THR 114 6.568 1.652 -7.540 662 2HG2 THR 114 2HG2 THR 114 8.015 1.140 -6.629 663 3HG2 THR 114 3HG2 THR 114 7.455 0.214 -8.049 664 H ILE 115 H ILE 115 6.774 3.076 -5.225 665 HA ILE 115 HA ILE 115 4.337 4.286 -6.289 666 HB ILE 115 HB ILE 115 5.430 4.688 -3.492 667 1HG1 ILE 115 1HG1 ILE 115 2.785 4.415 -4.860 668 2HG1 ILE 115 2HG1 ILE 115 3.423 3.549 -3.451 669 1HG2 ILE 115 1HG2 ILE 115 5.896 6.864 -4.429 670 2HG2 ILE 115 2HG2 ILE 115 4.213 7.018 -4.987 671 3HG2 ILE 115 3HG2 ILE 115 4.605 6.950 -3.267 672 1HD1 ILE 115 1HD1 ILE 115 2.228 6.326 -3.536 673 2HD1 ILE 115 2HD1 ILE 115 1.564 4.888 -2.774 674 3HD1 ILE 115 3HD1 ILE 115 3.023 5.628 -2.086 675 HA PRO 116 HA PRO 116 7.556 6.402 -8.489 676 1HB PRO 116 1HB PRO 116 6.157 8.553 -9.436 677 2HB PRO 116 2HB PRO 116 5.964 6.922 -10.116 678 1HG PRO 116 1HG PRO 116 4.211 8.337 -8.119 679 2HG PRO 116 2HG PRO 116 3.719 7.364 -9.545 680 1HD PRO 116 1HD PRO 116 3.779 6.402 -6.956 681 2HD PRO 116 2HD PRO 116 4.066 5.330 -8.334 682 H GLN 117 H GLN 117 9.035 8.038 -7.910 683 HA GLN 117 HA GLN 117 8.900 9.149 -5.284 684 1HB GLN 117 1HB GLN 117 10.652 9.800 -7.675 685 2HB GLN 117 2HB GLN 117 10.849 10.595 -6.091 686 1HG GLN 117 1HG GLN 117 11.124 7.620 -6.632 687 2HG GLN 117 2HG GLN 117 12.443 8.789 -6.355 688 1HE2 GLN 117 1HE2 GLN 117 10.759 6.374 -4.830 689 2HE2 GLN 117 2HE2 GLN 117 10.787 6.983 -3.184 690 H ALA 118 H ALA 118 7.575 10.360 -8.258 691 HA ALA 118 HA ALA 118 7.329 13.129 -7.636 692 1HB ALA 118 1HB ALA 118 5.568 11.185 -9.167 693 2HB ALA 118 2HB ALA 118 5.399 12.961 -9.217 694 3HB ALA 118 3HB ALA 118 6.875 12.188 -9.845 695 H PHE 119 H PHE 119 5.682 10.290 -6.294 696 HA PHE 119 HA PHE 119 3.763 12.068 -4.848 697 1HB PHE 119 1HB PHE 119 3.688 9.126 -5.554 698 2HB PHE 119 2HB PHE 119 2.558 9.912 -4.441 699 HD1 PHE 119 1HD PHE 119 3.655 10.824 -7.965 700 HD2 PHE 119 2HD PHE 119 0.475 9.736 -5.288 701 HE1 PHE 119 1HE PHE 119 2.071 10.881 -9.821 702 HE2 PHE 119 2HE PHE 119 -1.113 9.758 -7.222 703 HZ PHE 119 HZ PHE 119 -0.322 10.344 -9.472 704 H MET 120 H MET 120 6.637 11.801 -4.113 705 HA MET 120 HA MET 120 6.225 10.516 -1.443 706 1HB MET 120 1HB MET 120 8.759 10.610 -3.098 707 2HB MET 120 2HB MET 120 8.687 10.133 -1.382 708 1HG MET 120 1HG MET 120 7.324 8.745 -3.695 709 2HG MET 120 2HG MET 120 8.742 8.175 -2.787 710 1HE MET 120 1HE MET 120 7.762 8.856 0.335 711 2HE MET 120 2HE MET 120 7.141 7.244 0.730 712 3HE MET 120 3HE MET 120 8.657 7.407 -0.181 713 H SER 121 H SER 121 6.541 11.722 0.234 714 HA SER 121 HA SER 121 6.938 14.641 -0.090 715 1HB SER 121 1HB SER 121 4.672 13.777 0.525 716 2HB SER 121 2HB SER 121 5.364 13.015 1.965 717 HG SER 121 HG SER 121 4.530 15.002 2.469 718 H ASN 122 H ASN 122 9.116 14.757 0.287 719 HA ASN 122 HA ASN 122 11.064 14.825 1.407 720 1HB ASN 122 1HB ASN 122 9.600 14.147 3.969 721 2HB ASN 122 2HB ASN 122 11.164 14.970 3.803 722 1HD2 ASN 122 1HD2 ASN 122 7.598 15.409 3.399 723 2HD2 ASN 122 2HD2 ASN 122 7.747 17.133 3.174 724 H ARG 123 H ARG 123 12.363 13.397 3.229 725 HA ARG 123 HA ARG 123 12.491 10.818 1.867 726 1HB ARG 123 1HB ARG 123 14.294 12.117 3.925 727 2HB ARG 123 2HB ARG 123 14.610 10.576 3.080 728 1HG ARG 123 1HG ARG 123 13.965 12.186 0.973 729 2HG ARG 123 2HG ARG 123 14.730 13.355 2.055 730 1HD ARG 123 1HD ARG 123 15.962 10.649 1.406 731 2HD ARG 123 2HD ARG 123 16.263 12.061 0.391 732 HE ARG 123 HE ARG 123 17.411 11.426 2.953 733 1HH1 ARG 123 2HH2 ARG 123 16.376 14.245 1.079 734 2HH1 ARG 123 1HH2 ARG 123 17.402 15.377 1.905 735 1HH2 ARG 123 2HH1 ARG 123 19.053 12.848 3.785 736 2HH2 ARG 123 1HH1 ARG 123 18.967 14.534 3.450 737 H ALA 124 H ALA 124 10.177 10.569 3.008 738 HA ALA 124 HA ALA 124 8.921 9.323 4.507 739 1HB ALA 124 1HB ALA 124 9.770 7.010 4.664 740 2HB ALA 124 2HB ALA 124 10.013 7.676 3.031 741 3HB ALA 124 3HB ALA 124 11.384 7.564 4.150 742 H ARG 125 H ARG 125 9.867 11.320 5.894 743 HA ARG 125 HA ARG 125 12.010 10.820 7.781 744 1HB ARG 125 1HB ARG 125 9.955 13.071 7.627 745 2HB ARG 125 2HB ARG 125 11.446 13.095 8.590 746 1HG ARG 125 1HG ARG 125 11.269 13.024 5.554 747 2HG ARG 125 2HG ARG 125 11.631 14.438 6.578 748 1HD ARG 125 1HD ARG 125 13.556 12.786 7.468 749 2HD ARG 125 2HD ARG 125 13.332 12.075 5.856 750 HE ARG 125 HE ARG 125 13.517 14.847 5.474 751 1HH1 ARG 125 2HH2 ARG 125 15.719 12.281 6.686 752 2HH1 ARG 125 1HH2 ARG 125 17.109 13.315 6.545 753 1HH2 ARG 125 2HH1 ARG 125 15.459 16.093 5.193 754 2HH2 ARG 125 1HH1 ARG 125 16.969 15.385 5.676 Start of MODEL 8 1 1H GLY 25 H GLY 25 -4.689 -10.831 -11.920 2 1HA GLY 25 1HA GLY 25 -6.707 -11.422 -13.267 3 2HA GLY 25 2HA GLY 25 -6.172 -13.110 -13.082 4 H GLN 26 H GLN 26 -7.440 -14.126 -11.525 5 HA GLN 26 HA GLN 26 -7.358 -13.006 -8.882 6 1HB GLN 26 1HB GLN 26 -9.474 -12.145 -9.128 7 2HB GLN 26 2HB GLN 26 -9.960 -13.403 -10.301 8 1HG GLN 26 1HG GLN 26 -11.275 -13.609 -8.366 9 2HG GLN 26 2HG GLN 26 -10.251 -15.025 -8.493 10 1HE2 GLN 26 1HE2 GLN 26 -7.938 -13.036 -7.052 11 2HE2 GLN 26 2HE2 GLN 26 -8.499 -13.232 -5.428 12 H GLU 27 H GLU 27 -6.469 -14.471 -7.726 13 HA GLU 27 HA GLU 27 -7.046 -17.314 -8.082 14 1HB GLU 27 1HB GLU 27 -4.509 -17.645 -8.258 15 2HB GLU 27 2HB GLU 27 -5.275 -16.885 -9.679 16 1HG GLU 27 1HG GLU 27 -4.553 -14.662 -8.853 17 2HG GLU 27 2HG GLU 27 -3.766 -15.402 -7.467 18 HE2 GLU 27 HE GLU 27 -2.104 -16.128 -11.063 19 H LEU 28 H LEU 28 -7.353 -15.125 -6.044 20 HA LEU 28 HA LEU 28 -6.285 -16.510 -3.715 21 1HB LEU 28 1HB LEU 28 -4.391 -15.180 -4.784 22 2HB LEU 28 2HB LEU 28 -5.242 -13.709 -4.313 23 HG LEU 28 HG LEU 28 -4.982 -14.346 -1.920 24 1HD1 LEU 28 1HD1 LEU 28 -3.445 -16.251 -1.353 25 2HD1 LEU 28 2HD1 LEU 28 -4.937 -16.826 -2.134 26 3HD1 LEU 28 3HD1 LEU 28 -3.446 -16.708 -3.069 27 1HD2 LEU 28 1HD2 LEU 28 -2.309 -14.661 -3.384 28 2HD2 LEU 28 2HD2 LEU 28 -3.117 -13.111 -3.243 29 3HD2 LEU 28 3HD2 LEU 28 -2.581 -13.952 -1.781 30 HA PRO 29 HA PRO 29 -10.175 -14.408 -2.809 31 1HB PRO 29 1HB PRO 29 -11.035 -15.911 -0.702 32 2HB PRO 29 2HB PRO 29 -10.947 -16.571 -2.363 33 1HG PRO 29 1HG PRO 29 -8.936 -16.892 -0.124 34 2HG PRO 29 2HG PRO 29 -9.581 -18.156 -1.239 35 1HD PRO 29 1HD PRO 29 -7.177 -16.890 -1.625 36 2HD PRO 29 2HD PRO 29 -8.184 -17.498 -2.959 37 HA PRO 30 HA PRO 30 -9.034 -11.355 0.014 38 1HB PRO 30 1HB PRO 30 -11.338 -10.358 1.083 39 2HB PRO 30 2HB PRO 30 -10.829 -10.178 -0.625 40 1HG PRO 30 1HG PRO 30 -12.688 -12.253 0.554 41 2HG PRO 30 2HG PRO 30 -12.975 -11.246 -0.890 42 1HD PRO 30 1HD PRO 30 -12.054 -13.797 -1.063 43 2HD PRO 30 2HD PRO 30 -11.447 -12.555 -2.178 44 H GLY 31 H GLY 31 -9.243 -10.369 2.378 45 1HA GLY 31 1HA GLY 31 -9.743 -11.850 4.693 46 2HA GLY 31 2HA GLY 31 -8.260 -12.544 4.028 47 H THR 32 H THR 32 -7.118 -11.831 5.983 48 HA THR 32 HA THR 32 -5.956 -9.224 5.390 49 HB THR 32 HB THR 32 -7.504 -8.897 7.337 50 HG1 THR 32 1HG THR 32 -6.175 -7.508 8.035 51 1HG2 THR 32 1HG2 THR 32 -6.811 -9.683 9.551 52 2HG2 THR 32 2HG2 THR 32 -7.250 -11.058 8.509 53 3HG2 THR 32 3HG2 THR 32 -5.538 -10.679 8.840 54 H TYR 33 H TYR 33 -3.674 -9.289 5.444 55 HA TYR 33 HA TYR 33 -2.507 -11.913 6.254 56 1HB TYR 33 1HB TYR 33 -0.798 -11.395 4.394 57 2HB TYR 33 2HB TYR 33 -2.347 -12.215 4.073 58 HD1 TYR 33 1HD TYR 33 -1.060 -8.613 3.967 59 HD2 TYR 33 2HD TYR 33 -3.117 -11.802 1.934 60 HE1 TYR 33 1HE TYR 33 -1.791 -7.050 2.246 61 HE2 TYR 33 2HE TYR 33 -3.613 -10.260 0.088 62 HH TYR 33 HH TYR 33 -3.267 -8.024 -0.786 63 H ARG 34 H ARG 34 -0.931 -11.793 7.784 64 HA ARG 34 HA ARG 34 0.211 -9.315 8.669 65 1HB ARG 34 1HB ARG 34 -0.100 -11.065 10.286 66 2HB ARG 34 2HB ARG 34 0.591 -12.285 9.177 67 1HG ARG 34 1HG ARG 34 2.185 -11.800 10.898 68 2HG ARG 34 2HG ARG 34 2.809 -11.186 9.358 69 1HD ARG 34 1HD ARG 34 3.281 -9.405 10.676 70 2HD ARG 34 2HD ARG 34 1.670 -8.915 10.186 71 HE ARG 34 HE ARG 34 1.184 -10.417 12.412 72 1HH1 ARG 34 2HH2 ARG 34 3.583 -7.818 11.989 73 2HH1 ARG 34 1HH2 ARG 34 3.601 -7.416 13.670 74 1HH2 ARG 34 2HH1 ARG 34 1.325 -9.999 14.558 75 2HH2 ARG 34 1HH1 ARG 34 2.407 -8.738 15.156 76 H VAL 35 H VAL 35 1.672 -8.292 7.306 77 HA VAL 35 HA VAL 35 3.944 -9.834 6.390 78 HB VAL 35 HB VAL 35 3.742 -8.878 4.060 79 1HG1 VAL 35 1HG1 VAL 35 1.400 -10.695 4.318 80 2HG1 VAL 35 2HG1 VAL 35 2.792 -10.681 3.187 81 3HG1 VAL 35 3HG1 VAL 35 2.994 -11.266 4.812 82 1HG2 VAL 35 1HG2 VAL 35 0.879 -8.268 4.908 83 2HG2 VAL 35 2HG2 VAL 35 2.108 -7.119 4.380 84 3HG2 VAL 35 3HG2 VAL 35 1.439 -8.317 3.237 85 H ASP 36 H ASP 36 5.454 -8.299 5.259 86 HA ASP 36 HA ASP 36 5.645 -5.861 6.953 87 1HB ASP 36 1HB ASP 36 7.891 -6.762 5.224 88 2HB ASP 36 2HB ASP 36 7.904 -5.931 6.787 89 HD2 ASP 36 HD ASP 36 8.749 -9.656 6.789 90 H ILE 37 H ILE 37 5.102 -4.021 5.922 91 HA ILE 37 HA ILE 37 4.594 -3.890 3.043 92 HB ILE 37 HB ILE 37 4.525 -1.756 5.239 93 1HG1 ILE 37 1HG1 ILE 37 1.936 -2.129 4.413 94 2HG1 ILE 37 2HG1 ILE 37 2.534 -3.791 4.320 95 1HG2 ILE 37 1HG2 ILE 37 3.499 -1.685 2.369 96 2HG2 ILE 37 2HG2 ILE 37 3.216 -0.442 3.614 97 3HG2 ILE 37 3HG2 ILE 37 4.854 -0.738 3.037 98 1HD1 ILE 37 1HD1 ILE 37 3.130 -3.758 6.686 99 2HD1 ILE 37 2HD1 ILE 37 2.670 -2.038 6.801 100 3HD1 ILE 37 3HD1 ILE 37 1.446 -3.276 6.485 101 H TYR 38 H TYR 38 6.202 -3.494 1.637 102 HA TYR 38 HA TYR 38 8.783 -2.315 2.535 103 1HB TYR 38 1HB TYR 38 8.150 -4.808 1.046 104 2HB TYR 38 2HB TYR 38 9.449 -3.805 0.365 105 HD1 TYR 38 1HD TYR 38 11.603 -3.747 1.297 106 HD2 TYR 38 2HD TYR 38 8.436 -5.760 3.357 107 HE1 TYR 38 1HE TYR 38 13.261 -4.679 2.870 108 HE2 TYR 38 2HE TYR 38 10.095 -6.763 4.933 109 HH TYR 38 HH TYR 38 13.601 -6.186 4.685 110 H LEU 39 H LEU 39 8.457 -0.255 1.814 111 HA LEU 39 HA LEU 39 7.131 0.338 -0.776 112 1HB LEU 39 1HB LEU 39 6.562 1.665 1.264 113 2HB LEU 39 2HB LEU 39 8.271 2.177 1.332 114 HG LEU 39 HG LEU 39 7.885 3.066 -1.096 115 1HD1 LEU 39 1HD1 LEU 39 5.501 3.723 -1.458 116 2HD1 LEU 39 2HD1 LEU 39 5.712 1.968 -1.502 117 3HD1 LEU 39 3HD1 LEU 39 5.051 2.762 -0.039 118 1HD2 LEU 39 1HD2 LEU 39 7.082 5.147 -0.294 119 2HD2 LEU 39 2HD2 LEU 39 6.366 4.425 1.153 120 3HD2 LEU 39 3HD2 LEU 39 8.136 4.488 0.965 121 H ASN 40 H ASN 40 8.374 0.506 -2.525 122 HA ASN 40 HA ASN 40 10.186 0.750 -3.898 123 1HB ASN 40 1HB ASN 40 10.662 3.092 -2.027 124 2HB ASN 40 2HB ASN 40 11.488 2.849 -3.592 125 1HD2 ASN 40 1HD2 ASN 40 9.618 5.122 -2.708 126 2HD2 ASN 40 2HD2 ASN 40 8.450 5.103 -4.020 127 H ASN 41 H ASN 41 10.508 -1.283 -2.457 128 HA ASN 41 HA ASN 41 11.908 -2.894 -1.949 129 1HB ASN 41 1HB ASN 41 14.354 -1.179 -2.190 130 2HB ASN 41 2HB ASN 41 14.147 -2.914 -2.505 131 1HD2 ASN 41 1HD2 ASN 41 14.667 0.005 -3.952 132 2HD2 ASN 41 2HD2 ASN 41 13.996 -0.337 -5.539 133 H GLY 42 H GLY 42 11.418 -0.358 0.187 134 1HA GLY 42 1HA GLY 42 13.322 -1.444 2.219 135 2HA GLY 42 2HA GLY 42 12.874 0.253 2.028 136 H TYR 43 H TYR 43 12.416 -2.135 4.060 137 HA TYR 43 HA TYR 43 9.684 -2.515 4.604 138 1HB TYR 43 1HB TYR 43 11.144 -3.823 5.799 139 2HB TYR 43 2HB TYR 43 12.259 -2.492 6.140 140 HD1 TYR 43 1HD TYR 43 8.756 -3.633 6.995 141 HD2 TYR 43 2HD TYR 43 12.345 -1.584 8.273 142 HE1 TYR 43 1HE TYR 43 7.793 -3.273 9.220 143 HE2 TYR 43 2HE TYR 43 11.370 -1.245 10.500 144 HH TYR 43 HH TYR 43 9.441 -1.410 11.765 145 H MET 44 H MET 44 8.131 -1.271 5.570 146 HA MET 44 HA MET 44 8.826 1.441 6.623 147 1HB MET 44 1HB MET 44 6.475 0.623 4.887 148 2HB MET 44 2HB MET 44 6.595 2.222 5.635 149 1HG MET 44 1HG MET 44 8.834 1.232 3.894 150 2HG MET 44 2HG MET 44 7.298 1.841 3.210 151 1HE MET 44 1HE MET 44 9.864 3.085 6.117 152 2HE MET 44 2HE MET 44 10.754 2.699 4.618 153 3HE MET 44 3HE MET 44 10.573 4.380 5.168 154 H ALA 45 H ALA 45 6.477 -1.294 6.805 155 HA ALA 45 HA ALA 45 6.186 -0.935 9.635 156 1HB ALA 45 1HB ALA 45 3.652 -0.776 9.488 157 2HB ALA 45 2HB ALA 45 4.514 0.701 9.059 158 3HB ALA 45 3HB ALA 45 3.842 -0.328 7.775 159 H THR 46 H THR 46 4.859 -2.830 10.475 160 HA THR 46 HA THR 46 4.372 -4.986 8.514 161 HB THR 46 HB THR 46 5.989 -5.298 11.086 162 HG1 THR 46 1HG THR 46 7.523 -6.114 9.468 163 1HG2 THR 46 1HG2 THR 46 6.076 -7.680 10.516 164 2HG2 THR 46 2HG2 THR 46 4.381 -7.179 10.635 165 3HG2 THR 46 3HG2 THR 46 5.124 -7.390 9.047 166 H ARG 47 H ARG 47 2.316 -5.661 8.844 167 HA ARG 47 HA ARG 47 1.310 -6.046 11.463 168 1HB ARG 47 1HB ARG 47 -0.737 -4.408 10.274 169 2HB ARG 47 2HB ARG 47 0.001 -4.383 11.895 170 1HG ARG 47 1HG ARG 47 1.716 -2.800 11.043 171 2HG ARG 47 2HG ARG 47 0.953 -2.835 9.438 172 1HD ARG 47 1HD ARG 47 -0.332 -1.123 10.129 173 2HD ARG 47 2HD ARG 47 -1.176 -2.273 11.164 174 HE ARG 47 HE ARG 47 1.294 -0.847 12.056 175 1HH1 ARG 47 2HH2 ARG 47 -2.147 -1.641 12.730 176 2HH1 ARG 47 1HH2 ARG 47 -2.144 -0.956 14.300 177 1HH2 ARG 47 2HH1 ARG 47 1.148 0.422 13.955 178 2HH2 ARG 47 1HH1 ARG 47 -0.323 0.420 14.882 179 H ASP 48 H ASP 48 -1.216 -6.537 11.073 180 HA ASP 48 HA ASP 48 -1.506 -8.265 8.712 181 1HB ASP 48 1HB ASP 48 -3.806 -8.630 9.564 182 2HB ASP 48 2HB ASP 48 -2.459 -9.209 10.593 183 HD2 ASP 48 HD ASP 48 -4.879 -6.492 12.119 184 H VAL 49 H VAL 49 -2.388 -7.609 6.906 185 HA VAL 49 HA VAL 49 -3.389 -4.828 6.619 186 HB VAL 49 HB VAL 49 -1.871 -6.361 4.492 187 1HG1 VAL 49 1HG1 VAL 49 -3.159 -4.355 3.829 188 2HG1 VAL 49 2HG1 VAL 49 -2.333 -3.423 5.091 189 3HG1 VAL 49 3HG1 VAL 49 -1.400 -4.047 3.700 190 1HG2 VAL 49 1HG2 VAL 49 0.137 -5.038 5.085 191 2HG2 VAL 49 2HG2 VAL 49 -0.672 -4.543 6.599 192 3HG2 VAL 49 3HG2 VAL 49 -0.265 -6.250 6.297 193 H THR 50 H THR 50 -5.542 -5.090 6.556 194 HA THR 50 HA THR 50 -6.827 -7.449 5.576 195 HB THR 50 HB THR 50 -8.022 -4.711 6.079 196 HG1 THR 50 1HG THR 50 -8.170 -5.367 8.199 197 1HG2 THR 50 1HG2 THR 50 -9.177 -7.521 6.358 198 2HG2 THR 50 2HG2 THR 50 -10.040 -5.995 6.617 199 3HG2 THR 50 3HG2 THR 50 -9.479 -6.439 4.990 200 H PHE 51 H PHE 51 -7.173 -8.030 3.365 201 HA PHE 51 HA PHE 51 -7.090 -5.882 1.422 202 1HB PHE 51 1HB PHE 51 -6.193 -7.730 0.047 203 2HB PHE 51 2HB PHE 51 -5.205 -7.384 1.477 204 HD1 PHE 51 1HD PHE 51 -7.354 -9.808 -0.205 205 HD2 PHE 51 2HD PHE 51 -5.070 -9.056 3.339 206 HE1 PHE 51 1HE PHE 51 -7.047 -12.226 0.145 207 HE2 PHE 51 2HE PHE 51 -4.995 -11.525 3.785 208 HZ PHE 51 HZ PHE 51 -5.914 -13.100 2.149 209 H ASN 52 H ASN 52 -8.320 -6.191 -0.409 210 HA ASN 52 HA ASN 52 -10.916 -7.608 -0.055 211 1HB ASN 52 1HB ASN 52 -11.459 -5.262 -1.457 212 2HB ASN 52 2HB ASN 52 -11.936 -5.628 0.208 213 1HD2 ASN 52 1HD2 ASN 52 -10.414 -4.930 1.972 214 2HD2 ASN 52 2HD2 ASN 52 -9.617 -3.390 1.712 215 H THR 53 H THR 53 -11.993 -8.003 -2.116 216 HA THR 53 HA THR 53 -10.117 -8.932 -4.053 217 HB THR 53 HB THR 53 -13.028 -8.814 -4.714 218 HG1 THR 53 1HG THR 53 -12.019 -10.270 -2.506 219 1HG2 THR 53 1HG2 THR 53 -11.048 -11.105 -4.297 220 2HG2 THR 53 2HG2 THR 53 -12.655 -11.229 -5.041 221 3HG2 THR 53 3HG2 THR 53 -11.375 -10.312 -5.868 222 H GLY 54 H GLY 54 -9.690 -8.171 -6.148 223 1HA GLY 54 1HA GLY 54 -10.700 -5.731 -7.207 224 2HA GLY 54 2HA GLY 54 -9.247 -5.425 -6.252 225 H ASP 55 H ASP 55 -8.290 -4.762 -8.170 226 HA ASP 55 HA ASP 55 -7.950 -6.768 -10.287 227 1HB ASP 55 1HB ASP 55 -7.631 -3.826 -10.684 228 2HB ASP 55 2HB ASP 55 -8.302 -5.090 -11.743 229 HD2 ASP 55 HD ASP 55 -11.515 -4.595 -10.601 230 H SER 56 H SER 56 -5.997 -7.689 -9.501 231 HA SER 56 HA SER 56 -3.791 -6.163 -10.378 232 1HB SER 56 1HB SER 56 -3.801 -7.068 -7.446 233 2HB SER 56 2HB SER 56 -2.343 -6.503 -8.310 234 HG SER 56 HG SER 56 -4.521 -4.843 -8.535 235 H GLU 57 H GLU 57 -1.737 -7.998 -9.474 236 HA GLU 57 HA GLU 57 -1.952 -10.164 -11.186 237 1HB GLU 57 1HB GLU 57 -0.337 -9.819 -8.627 238 2HB GLU 57 2HB GLU 57 -0.088 -11.146 -9.786 239 1HG GLU 57 1HG GLU 57 0.200 -8.178 -10.405 240 2HG GLU 57 2HG GLU 57 1.535 -9.318 -10.126 241 HE2 GLU 57 HE GLU 57 1.070 -10.796 -13.294 242 H GLN 58 H GLN 58 -2.348 -10.356 -7.561 243 HA GLN 58 HA GLN 58 -3.386 -13.050 -7.983 244 1HB GLN 58 1HB GLN 58 -3.405 -11.786 -5.303 245 2HB GLN 58 2HB GLN 58 -3.098 -13.469 -5.817 246 1HG GLN 58 1HG GLN 58 -0.945 -12.933 -5.364 247 2HG GLN 58 2HG GLN 58 -0.932 -12.228 -6.971 248 1HE2 GLN 58 1HE2 GLN 58 -0.661 -11.639 -3.584 249 2HE2 GLN 58 2HE2 GLN 58 -0.861 -9.879 -3.629 250 H GLY 59 H GLY 59 -4.930 -10.076 -7.996 251 1HA GLY 59 1HA GLY 59 -7.187 -9.762 -8.476 252 2HA GLY 59 2HA GLY 59 -7.568 -11.343 -7.864 253 H ILE 60 H ILE 60 -5.710 -9.355 -5.732 254 HA ILE 60 HA ILE 60 -8.013 -8.316 -4.254 255 HB ILE 60 HB ILE 60 -6.726 -9.160 -2.098 256 1HG1 ILE 60 1HG1 ILE 60 -6.002 -11.462 -3.986 257 2HG1 ILE 60 2HG1 ILE 60 -4.843 -10.152 -3.652 258 1HG2 ILE 60 1HG2 ILE 60 -8.044 -11.334 -2.121 259 2HG2 ILE 60 2HG2 ILE 60 -8.972 -9.890 -2.491 260 3HG2 ILE 60 3HG2 ILE 60 -8.488 -11.000 -3.800 261 1HD1 ILE 60 1HD1 ILE 60 -5.951 -12.182 -1.731 262 2HD1 ILE 60 2HD1 ILE 60 -4.254 -11.768 -2.087 263 3HD1 ILE 60 3HD1 ILE 60 -5.230 -10.637 -1.199 264 H VAL 61 H VAL 61 -7.308 -6.567 -2.876 265 HA VAL 61 HA VAL 61 -4.484 -5.756 -3.149 266 HB VAL 61 HB VAL 61 -5.201 -3.439 -3.507 267 1HG1 VAL 61 1HG1 VAL 61 -6.332 -5.250 -5.681 268 2HG1 VAL 61 2HG1 VAL 61 -5.743 -3.590 -5.868 269 3HG1 VAL 61 3HG1 VAL 61 -4.612 -4.887 -5.442 270 1HG2 VAL 61 1HG2 VAL 61 -8.006 -4.600 -3.842 271 2HG2 VAL 61 2HG2 VAL 61 -7.486 -3.463 -2.587 272 3HG2 VAL 61 3HG2 VAL 61 -7.529 -2.954 -4.272 273 HA PRO 62 HA PRO 62 -4.976 -5.086 1.279 274 1HB PRO 62 1HB PRO 62 -2.995 -3.277 1.722 275 2HB PRO 62 2HB PRO 62 -2.738 -5.028 1.457 276 1HG PRO 62 1HG PRO 62 -2.405 -2.763 -0.491 277 2HG PRO 62 2HG PRO 62 -1.396 -4.241 -0.271 278 1HD PRO 62 1HD PRO 62 -3.287 -3.939 -2.256 279 2HD PRO 62 2HD PRO 62 -2.823 -5.517 -1.580 280 H CYS 63 H CYS 63 -5.845 -3.587 2.705 281 HA CYS 63 HA CYS 63 -6.997 -1.059 1.712 282 1HB CYS 63 1HB CYS 63 -8.344 -2.396 3.233 283 2HB CYS 63 2HB CYS 63 -7.021 -2.441 4.426 284 HG CYS 63 HG CYS 63 -8.924 -0.920 5.315 285 H LEU 64 H LEU 64 -5.462 0.481 1.469 286 HA LEU 64 HA LEU 64 -3.511 0.940 3.679 287 1HB LEU 64 1HB LEU 64 -3.338 1.850 0.789 288 2HB LEU 64 2HB LEU 64 -2.251 2.300 2.127 289 HG LEU 64 HG LEU 64 -2.427 -0.618 1.778 290 1HD1 LEU 64 1HD1 LEU 64 -1.285 -0.788 -0.370 291 2HD1 LEU 64 2HD1 LEU 64 -2.821 0.049 -0.584 292 3HD1 LEU 64 3HD1 LEU 64 -1.305 0.968 -0.567 293 1HD2 LEU 64 1HD2 LEU 64 -0.031 -0.514 1.876 294 2HD2 LEU 64 2HD2 LEU 64 -0.013 1.208 1.461 295 3HD2 LEU 64 3HD2 LEU 64 -0.635 0.686 3.032 296 H THR 65 H THR 65 -4.048 2.719 4.856 297 HA THR 65 HA THR 65 -6.422 4.227 4.015 298 HB THR 65 HB THR 65 -6.739 4.656 6.343 299 HG1 THR 65 1HG THR 65 -5.140 4.136 7.858 300 1HG2 THR 65 1HG2 THR 65 -6.700 2.408 7.433 301 2HG2 THR 65 2HG2 THR 65 -7.407 2.361 5.811 302 3HG2 THR 65 3HG2 THR 65 -5.766 1.753 6.101 303 H ARG 66 H ARG 66 -6.408 6.672 5.053 304 HA ARG 66 HA ARG 66 -4.349 7.903 3.733 305 1HB ARG 66 1HB ARG 66 -6.582 8.913 4.590 306 2HB ARG 66 2HB ARG 66 -5.735 9.146 6.134 307 1HG ARG 66 1HG ARG 66 -5.215 11.159 5.179 308 2HG ARG 66 2HG ARG 66 -3.890 10.239 4.447 309 1HD ARG 66 1HD ARG 66 -6.514 10.894 3.175 310 2HD ARG 66 2HD ARG 66 -4.922 11.544 2.755 311 HE ARG 66 HE ARG 66 -6.154 9.364 1.663 312 1HH1 ARG 66 2HH2 ARG 66 -2.918 9.900 3.084 313 2HH1 ARG 66 1HH2 ARG 66 -2.095 8.841 2.031 314 1HH2 ARG 66 2HH1 ARG 66 -5.073 7.810 0.364 315 2HH2 ARG 66 1HH1 ARG 66 -3.352 7.659 0.416 316 H ALA 67 H ALA 67 -4.651 7.253 7.101 317 HA ALA 67 HA ALA 67 -2.181 8.454 7.873 318 1HB ALA 67 1HB ALA 67 -3.696 6.194 9.208 319 2HB ALA 67 2HB ALA 67 -2.211 6.950 9.852 320 3HB ALA 67 3HB ALA 67 -3.679 7.925 9.640 321 H GLN 68 H GLN 68 -2.803 4.942 7.042 322 HA GLN 68 HA GLN 68 -0.230 4.008 7.478 323 1HB GLN 68 1HB GLN 68 -2.195 3.298 5.274 324 2HB GLN 68 2HB GLN 68 -0.783 2.324 5.671 325 1HG GLN 68 1HG GLN 68 -2.677 2.979 7.886 326 2HG GLN 68 2HG GLN 68 -3.250 1.877 6.624 327 1HE2 GLN 68 1HE2 GLN 68 -2.123 -0.228 6.400 328 2HE2 GLN 68 2HE2 GLN 68 -1.484 -0.910 7.859 329 H LEU 69 H LEU 69 -1.523 5.611 4.525 330 HA LEU 69 HA LEU 69 0.963 5.239 3.063 331 1HB LEU 69 1HB LEU 69 -1.438 7.006 2.535 332 2HB LEU 69 2HB LEU 69 -0.081 6.695 1.414 333 HG LEU 69 HG LEU 69 -1.724 4.452 2.597 334 1HD1 LEU 69 1HD1 LEU 69 -2.979 4.408 0.452 335 2HD1 LEU 69 2HD1 LEU 69 -3.297 5.807 1.457 336 3HD1 LEU 69 3HD1 LEU 69 -2.229 5.972 0.018 337 1HD2 LEU 69 1HD2 LEU 69 -0.912 3.215 0.639 338 2HD2 LEU 69 2HD2 LEU 69 0.141 4.593 0.212 339 3HD2 LEU 69 3HD2 LEU 69 0.345 3.692 1.736 340 H ALA 70 H ALA 70 -0.415 8.044 4.882 341 HA ALA 70 HA ALA 70 1.822 9.763 4.240 342 1HB ALA 70 1HB ALA 70 -0.078 9.761 6.637 343 2HB ALA 70 2HB ALA 70 1.041 11.072 6.194 344 3HB ALA 70 3HB ALA 70 -0.287 10.645 5.103 345 H SER 71 H SER 71 1.439 7.026 6.413 346 HA SER 71 HA SER 71 3.553 7.772 8.261 347 1HB SER 71 1HB SER 71 2.349 5.057 7.659 348 2HB SER 71 2HB SER 71 3.408 5.466 9.032 349 HG SER 71 HG SER 71 0.820 6.518 8.436 350 H MET 72 H MET 72 3.401 5.375 5.537 351 HA MET 72 HA MET 72 6.256 4.997 5.375 352 1HB MET 72 1HB MET 72 5.814 4.054 3.153 353 2HB MET 72 2HB MET 72 4.784 3.315 4.368 354 1HG MET 72 1HG MET 72 2.944 4.785 3.748 355 2HG MET 72 2HG MET 72 3.994 5.585 2.580 356 1HE MET 72 1HE MET 72 1.704 2.642 3.440 357 2HE MET 72 2HE MET 72 2.152 1.393 2.245 358 3HE MET 72 3HE MET 72 3.304 1.856 3.513 359 H GLY 73 H GLY 73 4.517 7.849 4.814 360 1HA GLY 73 1HA GLY 73 5.620 9.818 4.408 361 2HA GLY 73 2HA GLY 73 6.886 8.980 3.521 362 H LEU 74 H LEU 74 3.631 8.201 2.490 363 HA LEU 74 HA LEU 74 4.119 9.421 -0.093 364 1HB LEU 74 1HB LEU 74 2.861 7.697 -0.521 365 2HB LEU 74 2HB LEU 74 2.130 7.634 1.079 366 HG LEU 74 HG LEU 74 0.523 7.764 -0.543 367 1HD1 LEU 74 1HD1 LEU 74 0.269 9.133 1.632 368 2HD1 LEU 74 2HD1 LEU 74 0.148 10.489 0.500 369 3HD1 LEU 74 3HD1 LEU 74 -0.973 9.140 0.354 370 1HD2 LEU 74 1HD2 LEU 74 0.017 9.316 -2.174 371 2HD2 LEU 74 2HD2 LEU 74 1.396 10.329 -1.752 372 3HD2 LEU 74 3HD2 LEU 74 1.661 8.702 -2.400 373 H ASN 75 H ASN 75 3.302 11.087 -0.961 374 HA ASN 75 HA ASN 75 2.586 13.416 0.711 375 1HB ASN 75 1HB ASN 75 4.294 13.547 -1.137 376 2HB ASN 75 2HB ASN 75 3.003 13.306 -2.316 377 1HD2 ASN 75 1HD2 ASN 75 4.360 15.647 -2.616 378 2HD2 ASN 75 2HD2 ASN 75 3.473 16.979 -1.897 379 H THR 76 H THR 76 0.274 13.012 1.316 380 HA THR 76 HA THR 76 -1.740 12.404 -0.425 381 HB THR 76 HB THR 76 -3.161 13.630 1.216 382 HG1 THR 76 1HG THR 76 -1.882 14.527 3.071 383 1HG2 THR 76 1HG2 THR 76 -2.709 12.153 2.993 384 2HG2 THR 76 2HG2 THR 76 -1.984 11.357 1.567 385 3HG2 THR 76 3HG2 THR 76 -0.948 12.185 2.738 386 H ALA 77 H ALA 77 -0.414 15.677 0.211 387 HA ALA 77 HA ALA 77 -2.286 17.090 -1.278 388 1HB ALA 77 1HB ALA 77 -0.695 18.098 0.322 389 2HB ALA 77 2HB ALA 77 0.619 17.807 -0.844 390 3HB ALA 77 3HB ALA 77 -0.696 18.937 -1.248 391 H SER 78 H SER 78 0.511 15.318 -2.545 392 HA SER 78 HA SER 78 0.612 16.630 -5.071 393 1HB SER 78 1HB SER 78 1.691 14.624 -5.938 394 2HB SER 78 2HB SER 78 2.391 15.058 -4.382 395 HG SER 78 HG SER 78 1.021 13.411 -3.423 396 H VAL 79 H VAL 79 -1.904 14.452 -3.795 397 HA VAL 79 HA VAL 79 -2.895 13.904 -6.481 398 HB VAL 79 HB VAL 79 -3.428 12.506 -3.873 399 1HG1 VAL 79 1HG1 VAL 79 -4.887 11.948 -5.783 400 2HG1 VAL 79 2HG1 VAL 79 -3.454 11.561 -6.761 401 3HG1 VAL 79 3HG1 VAL 79 -3.850 10.577 -5.340 402 1HG2 VAL 79 1HG2 VAL 79 -1.123 12.346 -3.824 403 2HG2 VAL 79 2HG2 VAL 79 -1.682 10.829 -4.509 404 3HG2 VAL 79 3HG2 VAL 79 -1.027 12.112 -5.577 405 H ALA 80 H ALA 80 -4.452 15.388 -6.952 406 HA ALA 80 HA ALA 80 -6.217 16.625 -5.078 407 1HB ALA 80 1HB ALA 80 -5.765 17.479 -7.364 408 2HB ALA 80 2HB ALA 80 -6.599 16.063 -8.056 409 3HB ALA 80 3HB ALA 80 -7.491 17.235 -7.061 410 H GLY 81 H GLY 81 -7.681 15.579 -3.866 411 1HA GLY 81 1HA GLY 81 -9.629 14.247 -3.559 412 2HA GLY 81 2HA GLY 81 -9.179 13.241 -4.939 413 H MET 82 H MET 82 -6.356 13.607 -3.084 414 HA MET 82 HA MET 82 -6.874 11.058 -1.675 415 1HB MET 82 1HB MET 82 -4.779 11.385 -2.827 416 2HB MET 82 2HB MET 82 -4.407 12.804 -1.849 417 1HG MET 82 1HG MET 82 -3.904 11.570 0.001 418 2HG MET 82 2HG MET 82 -5.001 10.260 -0.393 419 1HE MET 82 1HE MET 82 -3.771 9.323 -3.581 420 2HE MET 82 2HE MET 82 -2.994 7.964 -2.765 421 3HE MET 82 3HE MET 82 -4.606 8.510 -2.249 422 H ASN 83 H ASN 83 -6.274 14.444 -0.914 423 HA ASN 83 HA ASN 83 -5.497 14.286 1.695 424 1HB ASN 83 1HB ASN 83 -7.286 16.496 0.609 425 2HB ASN 83 2HB ASN 83 -6.046 16.616 1.888 426 1HD2 ASN 83 1HD2 ASN 83 -6.649 16.874 -1.593 427 2HD2 ASN 83 2HD2 ASN 83 -4.959 16.985 -2.005 428 H LEU 84 H LEU 84 -8.663 13.776 0.589 429 HA LEU 84 HA LEU 84 -10.028 14.570 3.034 430 1HB LEU 84 1HB LEU 84 -12.054 14.162 1.459 431 2HB LEU 84 2HB LEU 84 -11.136 15.673 1.489 432 HG LEU 84 HG LEU 84 -11.800 14.941 -0.755 433 1HD1 LEU 84 1HD1 LEU 84 -8.847 14.760 -0.932 434 2HD1 LEU 84 2HD1 LEU 84 -9.989 15.831 -1.737 435 3HD1 LEU 84 3HD1 LEU 84 -9.535 16.136 -0.043 436 1HD2 LEU 84 1HD2 LEU 84 -10.904 13.006 -1.831 437 2HD2 LEU 84 2HD2 LEU 84 -9.828 12.622 -0.476 438 3HD2 LEU 84 3HD2 LEU 84 -11.590 12.456 -0.306 439 H LEU 85 H LEU 85 -8.749 11.722 1.761 440 HA LEU 85 HA LEU 85 -10.995 9.923 2.412 441 1HB LEU 85 1HB LEU 85 -8.107 9.580 1.530 442 2HB LEU 85 2HB LEU 85 -9.053 8.190 2.097 443 HG LEU 85 HG LEU 85 -10.175 10.007 -0.061 444 1HD1 LEU 85 1HD1 LEU 85 -9.120 8.761 -1.795 445 2HD1 LEU 85 2HD1 LEU 85 -7.839 9.353 -0.724 446 3HD1 LEU 85 3HD1 LEU 85 -8.373 7.646 -0.644 447 1HD2 LEU 85 1HD2 LEU 85 -11.649 8.278 0.921 448 2HD2 LEU 85 2HD2 LEU 85 -11.260 7.882 -0.761 449 3HD2 LEU 85 3HD2 LEU 85 -10.439 7.018 0.560 450 H ALA 86 H ALA 86 -10.934 8.412 4.165 451 HA ALA 86 HA ALA 86 -10.062 9.767 6.556 452 1HB ALA 86 1HB ALA 86 -11.401 7.051 6.420 453 2HB ALA 86 2HB ALA 86 -11.561 8.326 7.636 454 3HB ALA 86 3HB ALA 86 -12.295 8.558 6.057 455 H ASP 87 H ASP 87 -9.161 8.557 8.416 456 HA ASP 87 HA ASP 87 -6.600 7.380 7.794 457 1HB ASP 87 1HB ASP 87 -8.123 8.050 10.308 458 2HB ASP 87 2HB ASP 87 -6.674 7.012 10.404 459 HD2 ASP 87 HD ASP 87 -5.510 10.357 10.879 460 H ASP 88 H ASP 88 -9.706 5.992 8.008 461 HA ASP 88 HA ASP 88 -8.498 3.323 8.054 462 1HB ASP 88 1HB ASP 88 -10.568 4.421 9.912 463 2HB ASP 88 2HB ASP 88 -10.807 2.759 9.339 464 HD2 ASP 88 HD ASP 88 -8.215 1.505 11.232 465 H ALA 89 H ALA 89 -9.122 4.866 5.797 466 HA ALA 89 HA ALA 89 -11.562 3.542 4.662 467 1HB ALA 89 1HB ALA 89 -11.691 5.965 4.474 468 2HB ALA 89 2HB ALA 89 -10.051 6.041 3.778 469 3HB ALA 89 3HB ALA 89 -11.376 5.277 2.876 470 H CYS 90 H CYS 90 -11.288 2.264 2.820 471 HA CYS 90 HA CYS 90 -8.636 1.415 1.989 472 1HB CYS 90 1HB CYS 90 -11.347 1.135 0.640 473 2HB CYS 90 2HB CYS 90 -9.865 0.261 0.187 474 HG CYS 90 HG CYS 90 -11.568 -1.393 1.262 475 H VAL 91 H VAL 91 -7.419 3.216 1.251 476 HA VAL 91 HA VAL 91 -8.492 5.138 -0.665 477 HB VAL 91 HB VAL 91 -5.649 4.315 0.089 478 1HG1 VAL 91 1HG1 VAL 91 -5.776 5.542 -2.120 479 2HG1 VAL 91 2HG1 VAL 91 -6.364 6.946 -1.244 480 3HG1 VAL 91 3HG1 VAL 91 -4.758 6.242 -0.908 481 1HG2 VAL 91 1HG2 VAL 91 -7.173 6.768 1.083 482 2HG2 VAL 91 2HG2 VAL 91 -7.040 5.264 1.996 483 3HG2 VAL 91 3HG2 VAL 91 -5.590 6.145 1.636 484 HA PRO 92 HA PRO 92 -7.426 2.337 -4.173 485 1HB PRO 92 1HB PRO 92 -7.812 3.935 -6.292 486 2HB PRO 92 2HB PRO 92 -9.178 3.335 -5.308 487 1HG PRO 92 1HG PRO 92 -7.706 5.992 -5.044 488 2HG PRO 92 2HG PRO 92 -9.458 5.752 -5.252 489 1HD PRO 92 1HD PRO 92 -8.234 6.086 -2.787 490 2HD PRO 92 2HD PRO 92 -9.669 5.050 -2.987 491 H LEU 93 H LEU 93 -5.287 2.598 -2.957 492 HA LEU 93 HA LEU 93 -3.486 4.735 -3.593 493 1HB LEU 93 1HB LEU 93 -3.264 3.276 -1.629 494 2HB LEU 93 2HB LEU 93 -2.937 1.880 -2.652 495 HG LEU 93 HG LEU 93 -1.013 3.084 -1.466 496 1HD1 LEU 93 1HD1 LEU 93 -0.635 2.540 -4.402 497 2HD1 LEU 93 2HD1 LEU 93 0.615 2.601 -3.141 498 3HD1 LEU 93 3HD1 LEU 93 -0.625 1.341 -3.084 499 1HD2 LEU 93 1HD2 LEU 93 0.055 4.968 -2.466 500 2HD2 LEU 93 2HD2 LEU 93 -1.099 5.004 -3.800 501 3HD2 LEU 93 3HD2 LEU 93 -1.632 5.412 -2.149 502 H THR 94 H THR 94 -3.956 1.415 -4.972 503 HA THR 94 HA THR 94 -1.834 1.801 -6.878 504 HB THR 94 HB THR 94 -2.556 -0.488 -7.555 505 HG1 THR 94 1HG THR 94 -4.664 -0.649 -7.195 506 1HG2 THR 94 1HG2 THR 94 -1.028 -0.068 -5.571 507 2HG2 THR 94 2HG2 THR 94 -2.442 -0.246 -4.518 508 3HG2 THR 94 3HG2 THR 94 -1.929 -1.606 -5.535 509 H THR 95 H THR 95 -4.713 3.403 -7.031 510 HA THR 95 HA THR 95 -4.767 3.169 -10.002 511 HB THR 95 HB THR 95 -6.939 2.674 -7.997 512 HG1 THR 95 1HG THR 95 -6.572 0.921 -9.011 513 1HG2 THR 95 1HG2 THR 95 -8.705 3.079 -9.672 514 2HG2 THR 95 2HG2 THR 95 -7.947 4.566 -9.081 515 3HG2 THR 95 3HG2 THR 95 -7.531 3.936 -10.685 516 H MET 96 H MET 96 -5.577 5.198 -7.090 517 HA MET 96 HA MET 96 -5.806 7.529 -8.811 518 1HB MET 96 1HB MET 96 -6.992 7.233 -6.632 519 2HB MET 96 2HB MET 96 -5.466 7.413 -5.782 520 1HG MET 96 1HG MET 96 -5.197 9.660 -6.629 521 2HG MET 96 2HG MET 96 -6.489 9.434 -7.824 522 1HE MET 96 1HE MET 96 -6.643 8.279 -4.053 523 2HE MET 96 2HE MET 96 -5.767 9.844 -3.918 524 3HE MET 96 3HE MET 96 -7.424 9.678 -3.292 525 H VAL 97 H VAL 97 -3.202 5.940 -6.886 526 HA VAL 97 HA VAL 97 -1.256 7.849 -8.049 527 HB VAL 97 HB VAL 97 -0.722 5.641 -6.027 528 1HG1 VAL 97 1HG1 VAL 97 1.409 6.860 -5.736 529 2HG1 VAL 97 2HG1 VAL 97 1.200 6.172 -7.353 530 3HG1 VAL 97 3HG1 VAL 97 0.981 7.890 -7.119 531 1HG2 VAL 97 1HG2 VAL 97 -2.103 7.150 -4.841 532 2HG2 VAL 97 2HG2 VAL 97 -0.448 7.613 -4.416 533 3HG2 VAL 97 3HG2 VAL 97 -1.378 8.572 -5.589 534 H GLN 98 H GLN 98 -1.430 7.233 -10.175 535 HA GLN 98 HA GLN 98 -1.266 4.489 -11.069 536 1HB GLN 98 1HB GLN 98 -1.879 6.780 -12.303 537 2HB GLN 98 2HB GLN 98 -0.126 6.830 -12.595 538 1HG GLN 98 1HG GLN 98 -1.280 5.865 -14.503 539 2HG GLN 98 2HG GLN 98 -0.236 4.661 -13.745 540 1HE2 GLN 98 1HE2 GLN 98 -1.177 2.679 -13.374 541 2HE2 GLN 98 2HE2 GLN 98 -2.905 2.371 -13.312 542 H ASP 99 H ASP 99 0.711 3.469 -11.887 543 HA ASP 99 HA ASP 99 2.887 2.883 -11.982 544 1HB ASP 99 1HB ASP 99 3.484 5.376 -12.025 545 2HB ASP 99 2HB ASP 99 3.773 5.229 -10.287 546 HD2 ASP 99 HD ASP 99 6.611 4.215 -12.669 547 H ALA 100 H ALA 100 1.441 4.023 -8.932 548 HA ALA 100 HA ALA 100 3.125 2.379 -7.260 549 1HB ALA 100 1HB ALA 100 0.337 3.494 -6.705 550 2HB ALA 100 2HB ALA 100 1.429 2.776 -5.515 551 3HB ALA 100 3HB ALA 100 1.888 4.291 -6.298 552 H THR 101 H THR 101 2.551 0.461 -6.196 553 HA THR 101 HA THR 101 0.307 -1.143 -7.114 554 HB THR 101 HB THR 101 1.916 -3.033 -7.732 555 HG1 THR 101 1HG THR 101 3.824 -1.990 -8.861 556 1HG2 THR 101 1HG2 THR 101 1.799 -2.535 -10.010 557 2HG2 THR 101 2HG2 THR 101 0.443 -1.666 -9.311 558 3HG2 THR 101 3HG2 THR 101 1.934 -0.781 -9.739 559 H ALA 102 H ALA 102 0.309 -3.265 -5.934 560 HA ALA 102 HA ALA 102 1.639 -3.177 -3.314 561 1HB ALA 102 1HB ALA 102 -0.527 -3.237 -2.182 562 2HB ALA 102 2HB ALA 102 -0.454 -1.787 -3.181 563 3HB ALA 102 3HB ALA 102 -1.396 -3.189 -3.730 564 H HIS 103 H HIS 103 2.683 -5.022 -4.502 565 HA HIS 103 HA HIS 103 1.024 -7.427 -4.887 566 1HB HIS 103 1HB HIS 103 2.630 -7.253 -6.536 567 2HB HIS 103 2HB HIS 103 3.899 -6.712 -5.435 568 HD1 HIS 103 1HD HIS 103 5.576 -8.540 -6.340 569 HD2 HIS 103 2HD HIS 103 2.058 -10.046 -4.571 570 HE1 HIS 103 1HE HIS 103 5.909 -11.059 -6.025 571 HE2 HIS 103 2HE HIS 103 3.753 -11.987 -4.999 572 H LEU 104 H LEU 104 0.408 -8.448 -3.111 573 HA LEU 104 HA LEU 104 2.044 -8.700 -0.670 574 1HB LEU 104 1HB LEU 104 -0.203 -8.510 -0.300 575 2HB LEU 104 2HB LEU 104 -0.682 -9.684 -1.498 576 HG LEU 104 HG LEU 104 -0.610 -10.117 1.065 577 1HD1 LEU 104 1HD1 LEU 104 0.024 -12.373 -0.796 578 2HD1 LEU 104 2HD1 LEU 104 -0.830 -12.441 0.762 579 3HD1 LEU 104 3HD1 LEU 104 -1.566 -11.613 -0.601 580 1HD2 LEU 104 1HD2 LEU 104 1.010 -11.322 2.038 581 2HD2 LEU 104 2HD2 LEU 104 2.025 -11.320 0.612 582 3HD2 LEU 104 3HD2 LEU 104 1.709 -9.789 1.443 583 H ASP 105 H ASP 105 3.840 -9.806 -1.012 584 HA ASP 105 HA ASP 105 4.151 -12.291 -2.533 585 1HB ASP 105 1HB ASP 105 5.868 -10.495 -2.288 586 2HB ASP 105 2HB ASP 105 5.853 -10.771 -0.544 587 HD2 ASP 105 HD ASP 105 8.694 -12.418 -1.710 588 H VAL 106 H VAL 106 2.237 -13.385 -1.159 589 HA VAL 106 HA VAL 106 2.532 -13.859 1.529 590 HB VAL 106 HB VAL 106 0.646 -14.418 0.028 591 1HG1 VAL 106 1HG1 VAL 106 2.145 -16.926 -0.760 592 2HG1 VAL 106 2HG1 VAL 106 0.450 -16.537 -1.121 593 3HG1 VAL 106 3HG1 VAL 106 1.737 -15.554 -1.810 594 1HG2 VAL 106 1HG2 VAL 106 -0.117 -16.308 1.312 595 2HG2 VAL 106 2HG2 VAL 106 1.563 -16.667 1.802 596 3HG2 VAL 106 3HG2 VAL 106 0.809 -15.158 2.319 597 H GLY 107 H GLY 107 4.512 -15.176 -1.113 598 1HA GLY 107 1HA GLY 107 5.309 -17.487 0.261 599 2HA GLY 107 2HA GLY 107 6.206 -16.718 -1.077 600 H GLN 108 H GLN 108 6.606 -14.162 0.165 601 HA GLN 108 HA GLN 108 8.571 -14.862 2.282 602 1HB GLN 108 1HB GLN 108 8.909 -13.655 -0.159 603 2HB GLN 108 2HB GLN 108 8.776 -12.239 0.890 604 1HG GLN 108 1HG GLN 108 11.082 -12.759 0.933 605 2HG GLN 108 2HG GLN 108 10.501 -13.496 2.411 606 1HE2 GLN 108 1HE2 GLN 108 12.185 -13.944 -0.536 607 2HE2 GLN 108 2HE2 GLN 108 12.229 -15.712 -0.563 608 H GLN 109 H GLN 109 5.575 -13.888 2.441 609 HA GLN 109 HA GLN 109 4.279 -12.493 3.521 610 1HB GLN 109 1HB GLN 109 6.283 -13.056 5.721 611 2HB GLN 109 2HB GLN 109 4.745 -12.181 5.982 612 1HG GLN 109 1HG GLN 109 3.631 -14.211 4.818 613 2HG GLN 109 2HG GLN 109 5.150 -15.062 5.155 614 1HE2 GLN 109 1HE2 GLN 109 2.236 -13.599 6.642 615 2HE2 GLN 109 2HE2 GLN 109 2.439 -14.452 8.155 616 H ARG 110 H ARG 110 5.505 -11.151 1.752 617 HA ARG 110 HA ARG 110 6.329 -8.552 3.027 618 1HB ARG 110 1HB ARG 110 8.265 -9.508 2.101 619 2HB ARG 110 2HB ARG 110 7.425 -9.929 0.603 620 1HG ARG 110 1HG ARG 110 7.115 -7.467 0.158 621 2HG ARG 110 2HG ARG 110 8.078 -7.149 1.627 622 1HD ARG 110 1HD ARG 110 9.422 -6.992 -0.475 623 2HD ARG 110 2HD ARG 110 10.005 -8.232 0.673 624 HE ARG 110 HE ARG 110 8.514 -9.776 -0.874 625 1HH1 ARG 110 2HH2 ARG 110 10.723 -7.213 -2.010 626 2HH1 ARG 110 1HH2 ARG 110 11.371 -8.160 -3.269 627 1HH2 ARG 110 2HH1 ARG 110 9.276 -10.980 -2.516 628 2HH2 ARG 110 1HH1 ARG 110 10.493 -10.353 -3.629 629 H LEU 111 H LEU 111 4.832 -6.986 2.708 630 HA LEU 111 HA LEU 111 3.135 -7.177 0.306 631 1HB LEU 111 1HB LEU 111 1.852 -6.533 2.155 632 2HB LEU 111 2HB LEU 111 3.015 -5.310 2.655 633 HG LEU 111 HG LEU 111 2.458 -3.934 0.724 634 1HD1 LEU 111 1HD1 LEU 111 2.029 -5.706 -0.985 635 2HD1 LEU 111 2HD1 LEU 111 0.553 -6.177 -0.129 636 3HD1 LEU 111 3HD1 LEU 111 0.714 -4.590 -0.893 637 1HD2 LEU 111 1HD2 LEU 111 0.119 -3.433 1.270 638 2HD2 LEU 111 2HD2 LEU 111 -0.067 -5.059 2.027 639 3HD2 LEU 111 3HD2 LEU 111 1.011 -3.841 2.753 640 H ASN 112 H ASN 112 4.573 -6.868 -1.342 641 HA ASN 112 HA ASN 112 6.674 -4.847 -1.413 642 1HB ASN 112 1HB ASN 112 5.098 -6.177 -3.656 643 2HB ASN 112 2HB ASN 112 6.450 -5.033 -3.875 644 1HD2 ASN 112 1HD2 ASN 112 5.578 -8.280 -2.698 645 2HD2 ASN 112 2HD2 ASN 112 7.187 -8.936 -2.945 646 H LEU 113 H LEU 113 6.360 -2.720 -1.778 647 HA LEU 113 HA LEU 113 3.780 -1.761 -2.811 648 1HB LEU 113 1HB LEU 113 4.460 -1.814 -0.118 649 2HB LEU 113 2HB LEU 113 5.021 -0.215 -0.566 650 HG LEU 113 HG LEU 113 2.733 -0.303 0.396 651 1HD1 LEU 113 1HD1 LEU 113 2.816 0.697 -2.471 652 2HD1 LEU 113 2HD1 LEU 113 1.630 1.166 -1.231 653 3HD1 LEU 113 3HD1 LEU 113 3.339 1.575 -1.016 654 1HD2 LEU 113 1HD2 LEU 113 0.903 -1.359 -0.561 655 2HD2 LEU 113 2HD2 LEU 113 1.635 -1.390 -2.170 656 3HD2 LEU 113 3HD2 LEU 113 2.181 -2.532 -0.956 657 H THR 114 H THR 114 4.133 -0.039 -4.247 658 HA THR 114 HA THR 114 6.830 1.191 -4.268 659 HB THR 114 HB THR 114 5.439 -0.236 -6.576 660 HG1 THR 114 1HG THR 114 6.956 -1.543 -5.856 661 1HG2 THR 114 1HG2 THR 114 5.984 1.957 -7.478 662 2HG2 THR 114 2HG2 THR 114 7.617 1.876 -6.764 663 3HG2 THR 114 3HG2 THR 114 7.143 0.768 -8.081 664 H ILE 115 H ILE 115 6.742 3.357 -4.876 665 HA ILE 115 HA ILE 115 4.235 4.510 -5.817 666 HB ILE 115 HB ILE 115 5.552 5.269 -3.174 667 1HG1 ILE 115 1HG1 ILE 115 2.709 4.594 -4.039 668 2HG1 ILE 115 2HG1 ILE 115 3.752 3.631 -2.973 669 1HG2 ILE 115 1HG2 ILE 115 5.256 7.354 -4.501 670 2HG2 ILE 115 2HG2 ILE 115 3.516 7.003 -4.623 671 3HG2 ILE 115 3HG2 ILE 115 4.294 7.328 -3.060 672 1HD1 ILE 115 1HD1 ILE 115 2.411 6.273 -2.371 673 2HD1 ILE 115 2HD1 ILE 115 2.178 4.691 -1.570 674 3HD1 ILE 115 3HD1 ILE 115 3.702 5.580 -1.352 675 HA PRO 116 HA PRO 116 7.447 6.459 -8.248 676 1HB PRO 116 1HB PRO 116 6.009 8.544 -9.275 677 2HB PRO 116 2HB PRO 116 5.849 6.867 -9.856 678 1HG PRO 116 1HG PRO 116 4.098 8.349 -7.889 679 2HG PRO 116 2HG PRO 116 3.581 7.339 -9.278 680 1HD PRO 116 1HD PRO 116 3.674 6.394 -6.716 681 2HD PRO 116 2HD PRO 116 4.071 5.344 -8.092 682 H GLN 117 H GLN 117 8.948 7.987 -7.656 683 HA GLN 117 HA GLN 117 8.904 9.238 -5.131 684 1HB GLN 117 1HB GLN 117 10.626 9.617 -7.560 685 2HB GLN 117 2HB GLN 117 10.903 10.536 -6.064 686 1HG GLN 117 1HG GLN 117 10.818 7.496 -6.193 687 2HG GLN 117 2HG GLN 117 12.309 8.479 -6.303 688 1HE2 GLN 117 1HE2 GLN 117 11.006 6.497 -4.151 689 2HE2 GLN 117 2HE2 GLN 117 11.349 7.408 -2.672 690 H ALA 118 H ALA 118 7.342 10.427 -7.978 691 HA ALA 118 HA ALA 118 7.217 13.214 -7.253 692 1HB ALA 118 1HB ALA 118 5.056 13.116 -8.585 693 2HB ALA 118 2HB ALA 118 6.535 12.647 -9.434 694 3HB ALA 118 3HB ALA 118 5.412 11.395 -8.866 695 H PHE 119 H PHE 119 5.277 10.306 -6.066 696 HA PHE 119 HA PHE 119 3.466 12.199 -4.689 697 1HB PHE 119 1HB PHE 119 3.422 9.236 -5.315 698 2HB PHE 119 2HB PHE 119 2.207 10.055 -4.316 699 HD1 PHE 119 1HD PHE 119 3.668 10.812 -7.766 700 HD2 PHE 119 2HD PHE 119 0.228 10.095 -5.332 701 HE1 PHE 119 1HE PHE 119 2.270 10.857 -9.772 702 HE2 PHE 119 2HE PHE 119 -1.234 10.227 -7.364 703 HZ PHE 119 HZ PHE 119 -0.208 10.501 -9.594 704 H MET 120 H MET 120 6.177 12.022 -3.753 705 HA MET 120 HA MET 120 5.910 10.498 -1.197 706 1HB MET 120 1HB MET 120 8.234 10.645 -3.150 707 2HB MET 120 2HB MET 120 8.380 10.047 -1.480 708 1HG MET 120 1HG MET 120 6.144 8.789 -2.841 709 2HG MET 120 2HG MET 120 7.621 8.570 -3.775 710 1HE MET 120 1HE MET 120 5.650 7.802 -0.527 711 2HE MET 120 2HE MET 120 6.887 7.150 0.565 712 3HE MET 120 3HE MET 120 6.951 8.851 0.096 713 H SER 121 H SER 121 6.641 11.514 0.599 714 HA SER 121 HA SER 121 7.750 14.214 0.323 715 1HB SER 121 1HB SER 121 5.336 13.242 1.820 716 2HB SER 121 2HB SER 121 6.280 14.617 2.430 717 HG SER 121 HG SER 121 5.977 15.463 0.138 718 H ASN 122 H ASN 122 9.108 14.783 2.089 719 HA ASN 122 HA ASN 122 10.784 14.489 3.494 720 1HB ASN 122 1HB ASN 122 9.440 12.188 4.871 721 2HB ASN 122 2HB ASN 122 10.527 13.412 5.549 722 1HD2 ASN 122 1HD2 ASN 122 7.899 12.596 6.577 723 2HD2 ASN 122 2HD2 ASN 122 6.849 14.001 6.473 724 H ARG 123 H ARG 123 11.633 11.661 4.590 725 HA ARG 123 HA ARG 123 13.169 10.929 2.137 726 1HB ARG 123 1HB ARG 123 13.522 10.572 5.078 727 2HB ARG 123 2HB ARG 123 14.087 9.240 4.048 728 1HG ARG 123 1HG ARG 123 14.833 12.089 3.354 729 2HG ARG 123 2HG ARG 123 15.722 11.226 4.638 730 1HD ARG 123 1HD ARG 123 16.468 9.540 3.168 731 2HD ARG 123 2HD ARG 123 15.286 9.938 1.922 732 HE ARG 123 HE ARG 123 17.801 11.349 2.588 733 1HH1 ARG 123 2HH2 ARG 123 15.240 10.714 0.192 734 2HH1 ARG 123 1HH2 ARG 123 15.820 11.808 -0.963 735 1HH2 ARG 123 2HH1 ARG 123 18.687 12.689 0.988 736 2HH2 ARG 123 1HH1 ARG 123 17.942 12.899 -0.564 737 H ALA 124 H ALA 124 10.448 9.734 4.010 738 HA ALA 124 HA ALA 124 9.338 7.753 4.013 739 1HB ALA 124 1HB ALA 124 8.896 6.724 1.800 740 2HB ALA 124 2HB ALA 124 8.641 8.486 1.814 741 3HB ALA 124 3HB ALA 124 10.092 7.790 1.062 742 H ARG 125 H ARG 125 11.596 7.436 5.298 743 HA ARG 125 HA ARG 125 12.673 4.817 4.580 744 1HB ARG 125 1HB ARG 125 14.309 7.305 4.869 745 2HB ARG 125 2HB ARG 125 14.948 5.712 5.359 746 1HG ARG 125 1HG ARG 125 14.612 4.814 3.140 747 2HG ARG 125 2HG ARG 125 13.778 6.303 2.618 748 1HD ARG 125 1HD ARG 125 16.129 6.223 1.831 749 2HD ARG 125 2HD ARG 125 15.722 7.598 2.895 750 HE ARG 125 HE ARG 125 16.695 5.411 4.434 751 1HH1 ARG 125 2HH2 ARG 125 18.096 7.453 1.912 752 2HH1 ARG 125 1HH2 ARG 125 19.588 7.733 2.759 753 1HH2 ARG 125 2HH1 ARG 125 18.698 5.664 5.526 754 2HH2 ARG 125 1HH1 ARG 125 20.026 6.425 4.697 Start of MODEL 9 1 1H GLY 25 H GLY 25 -6.757 -9.223 -12.430 2 1HA GLY 25 1HA GLY 25 -8.376 -10.883 -13.267 3 2HA GLY 25 2HA GLY 25 -7.122 -12.115 -12.970 4 H GLN 26 H GLN 26 -8.807 -13.141 -11.503 5 HA GLN 26 HA GLN 26 -8.302 -12.200 -8.834 6 1HB GLN 26 1HB GLN 26 -10.740 -11.462 -9.967 7 2HB GLN 26 2HB GLN 26 -11.164 -12.906 -9.044 8 1HG GLN 26 1HG GLN 26 -9.733 -10.462 -7.938 9 2HG GLN 26 2HG GLN 26 -11.472 -10.823 -7.772 10 1HE2 GLN 26 1HE2 GLN 26 -8.131 -12.088 -6.749 11 2HE2 GLN 26 2HE2 GLN 26 -8.810 -12.664 -5.268 12 H GLU 27 H GLU 27 -7.404 -13.870 -7.952 13 HA GLU 27 HA GLU 27 -8.543 -16.558 -8.252 14 1HB GLU 27 1HB GLU 27 -6.302 -17.376 -8.940 15 2HB GLU 27 2HB GLU 27 -7.089 -16.343 -10.152 16 1HG GLU 27 1HG GLU 27 -5.607 -14.473 -9.551 17 2HG GLU 27 2HG GLU 27 -4.864 -15.459 -8.260 18 HE2 GLU 27 HE GLU 27 -2.924 -15.821 -11.438 19 H LEU 28 H LEU 28 -8.161 -14.504 -6.108 20 HA LEU 28 HA LEU 28 -7.074 -16.295 -4.085 21 1HB LEU 28 1HB LEU 28 -5.091 -15.085 -5.106 22 2HB LEU 28 2HB LEU 28 -5.774 -13.569 -4.485 23 HG LEU 28 HG LEU 28 -5.574 -14.484 -2.163 24 1HD1 LEU 28 1HD1 LEU 28 -4.153 -16.500 -1.788 25 2HD1 LEU 28 2HD1 LEU 28 -5.621 -16.919 -2.673 26 3HD1 LEU 28 3HD1 LEU 28 -4.091 -16.782 -3.542 27 1HD2 LEU 28 1HD2 LEU 28 -3.170 -14.169 -2.014 28 2HD2 LEU 28 2HD2 LEU 28 -2.951 -14.660 -3.715 29 3HD2 LEU 28 3HD2 LEU 28 -3.740 -13.138 -3.324 30 HA PRO 29 HA PRO 29 -10.659 -13.995 -2.696 31 1HB PRO 29 1HB PRO 29 -11.429 -15.515 -0.559 32 2HB PRO 29 2HB PRO 29 -11.490 -16.130 -2.244 33 1HG PRO 29 1HG PRO 29 -9.274 -16.551 -0.229 34 2HG PRO 29 2HG PRO 29 -10.122 -17.796 -1.220 35 1HD PRO 29 1HD PRO 29 -7.768 -16.799 -2.021 36 2HD PRO 29 2HD PRO 29 -9.083 -17.118 -3.190 37 HA PRO 30 HA PRO 30 -9.190 -11.129 0.186 38 1HB PRO 30 1HB PRO 30 -11.337 -9.887 1.222 39 2HB PRO 30 2HB PRO 30 -10.803 -9.778 -0.488 40 1HG PRO 30 1HG PRO 30 -12.925 -11.595 0.667 41 2HG PRO 30 2HG PRO 30 -13.024 -10.531 -0.785 42 1HD PRO 30 1HD PRO 30 -12.430 -13.198 -0.964 43 2HD PRO 30 2HD PRO 30 -11.697 -11.991 -2.054 44 H GLY 31 H GLY 31 -9.132 -10.359 2.562 45 1HA GLY 31 1HA GLY 31 -9.825 -11.900 4.818 46 2HA GLY 31 2HA GLY 31 -8.425 -12.658 4.041 47 H THR 32 H THR 32 -7.029 -12.144 5.869 48 HA THR 32 HA THR 32 -5.823 -9.499 5.504 49 HB THR 32 HB THR 32 -7.322 -9.307 7.511 50 HG1 THR 32 1HG THR 32 -5.542 -8.545 8.889 51 1HG2 THR 32 1HG2 THR 32 -6.958 -11.650 8.420 52 2HG2 THR 32 2HG2 THR 32 -5.327 -11.140 8.914 53 3HG2 THR 32 3HG2 THR 32 -6.738 -10.349 9.606 54 H TYR 33 H TYR 33 -3.552 -9.590 5.475 55 HA TYR 33 HA TYR 33 -2.363 -12.250 6.100 56 1HB TYR 33 1HB TYR 33 -0.852 -11.820 4.121 57 2HB TYR 33 2HB TYR 33 -2.487 -12.455 3.873 58 HD1 TYR 33 1HD TYR 33 -0.807 -9.043 3.843 59 HD2 TYR 33 2HD TYR 33 -3.278 -11.857 1.783 60 HE1 TYR 33 1HE TYR 33 -1.101 -7.447 1.977 61 HE2 TYR 33 2HE TYR 33 -3.618 -10.216 -0.018 62 HH TYR 33 HH TYR 33 -2.701 -8.121 -0.986 63 H ARG 34 H ARG 34 -0.557 -12.253 7.280 64 HA ARG 34 HA ARG 34 0.482 -9.769 8.427 65 1HB ARG 34 1HB ARG 34 0.187 -11.997 9.603 66 2HB ARG 34 2HB ARG 34 1.555 -12.602 8.684 67 1HG ARG 34 1HG ARG 34 1.519 -10.378 10.741 68 2HG ARG 34 2HG ARG 34 2.271 -11.988 10.875 69 1HD ARG 34 1HD ARG 34 3.730 -11.176 8.884 70 2HD ARG 34 2HD ARG 34 3.216 -9.556 9.364 71 HE ARG 34 HE ARG 34 5.370 -10.757 10.323 72 1HH1 ARG 34 2HH2 ARG 34 2.426 -10.230 12.377 73 2HH1 ARG 34 1HH2 ARG 34 3.388 -9.797 13.730 74 1HH2 ARG 34 2HH1 ARG 34 6.506 -10.054 12.085 75 2HH2 ARG 34 1HH1 ARG 34 5.757 -9.718 13.600 76 H VAL 35 H VAL 35 1.879 -8.514 7.179 77 HA VAL 35 HA VAL 35 4.163 -9.826 5.909 78 HB VAL 35 HB VAL 35 3.743 -8.706 3.736 79 1HG1 VAL 35 1HG1 VAL 35 3.065 -11.118 4.140 80 2HG1 VAL 35 2HG1 VAL 35 1.403 -10.536 4.087 81 3HG1 VAL 35 3HG1 VAL 35 2.516 -10.253 2.712 82 1HG2 VAL 35 1HG2 VAL 35 1.388 -7.995 3.188 83 2HG2 VAL 35 2HG2 VAL 35 0.928 -8.232 4.875 84 3HG2 VAL 35 3HG2 VAL 35 2.093 -6.980 4.483 85 H ASP 36 H ASP 36 5.647 -8.284 4.981 86 HA ASP 36 HA ASP 36 5.814 -5.878 6.704 87 1HB ASP 36 1HB ASP 36 8.087 -6.607 4.943 88 2HB ASP 36 2HB ASP 36 8.029 -5.846 6.554 89 HD2 ASP 36 HD ASP 36 7.955 -9.033 8.104 90 H ILE 37 H ILE 37 5.455 -3.986 5.798 91 HA ILE 37 HA ILE 37 4.681 -3.767 2.980 92 HB ILE 37 HB ILE 37 4.611 -1.812 5.336 93 1HG1 ILE 37 1HG1 ILE 37 2.021 -2.284 4.646 94 2HG1 ILE 37 2HG1 ILE 37 2.706 -3.860 4.218 95 1HG2 ILE 37 1HG2 ILE 37 3.329 -1.541 2.595 96 2HG2 ILE 37 2HG2 ILE 37 3.159 -0.422 3.966 97 3HG2 ILE 37 3HG2 ILE 37 4.727 -0.596 3.174 98 1HD1 ILE 37 1HD1 ILE 37 3.544 -4.106 6.567 99 2HD1 ILE 37 2HD1 ILE 37 2.786 -2.539 6.952 100 3HD1 ILE 37 3HD1 ILE 37 1.804 -3.907 6.476 101 H TYR 38 H TYR 38 6.459 -3.931 1.750 102 HA TYR 38 HA TYR 38 8.929 -2.435 2.500 103 1HB TYR 38 1HB TYR 38 8.343 -4.948 1.088 104 2HB TYR 38 2HB TYR 38 9.534 -3.931 0.275 105 HD1 TYR 38 1HD TYR 38 8.848 -6.049 3.105 106 HD2 TYR 38 2HD TYR 38 11.720 -3.352 1.392 107 HE1 TYR 38 1HE TYR 38 10.583 -6.927 4.664 108 HE2 TYR 38 2HE TYR 38 13.457 -4.209 2.927 109 HH TYR 38 HH TYR 38 13.985 -5.736 4.671 110 H LEU 39 H LEU 39 8.291 -0.345 1.934 111 HA LEU 39 HA LEU 39 7.250 0.182 -0.758 112 1HB LEU 39 1HB LEU 39 6.416 1.395 1.221 113 2HB LEU 39 2HB LEU 39 8.037 2.082 1.445 114 HG LEU 39 HG LEU 39 7.655 2.873 -1.099 115 1HD1 LEU 39 1HD1 LEU 39 5.247 3.536 -1.347 116 2HD1 LEU 39 2HD1 LEU 39 5.493 1.806 -1.461 117 3HD1 LEU 39 3HD1 LEU 39 4.856 2.531 0.060 118 1HD2 LEU 39 1HD2 LEU 39 6.903 4.967 -0.352 119 2HD2 LEU 39 2HD2 LEU 39 6.143 4.294 1.110 120 3HD2 LEU 39 3HD2 LEU 39 7.912 4.347 0.962 121 H ASN 40 H ASN 40 8.551 0.397 -2.425 122 HA ASN 40 HA ASN 40 10.393 0.626 -3.721 123 1HB ASN 40 1HB ASN 40 10.960 3.116 -2.085 124 2HB ASN 40 2HB ASN 40 11.462 2.792 -3.759 125 1HD2 ASN 40 1HD2 ASN 40 9.410 4.635 -2.006 126 2HD2 ASN 40 2HD2 ASN 40 8.176 4.897 -3.258 127 H ASN 41 H ASN 41 10.877 -1.228 -1.925 128 HA ASN 41 HA ASN 41 12.471 -2.431 -0.860 129 1HB ASN 41 1HB ASN 41 14.521 -0.715 -2.266 130 2HB ASN 41 2HB ASN 41 14.651 -2.406 -1.762 131 1HD2 ASN 41 1HD2 ASN 41 14.108 -0.360 -4.371 132 2HD2 ASN 41 2HD2 ASN 41 13.448 -1.524 -5.491 133 H GLY 42 H GLY 42 11.425 -0.638 0.889 134 1HA GLY 42 1HA GLY 42 13.787 0.326 2.436 135 2HA GLY 42 2HA GLY 42 12.378 1.315 2.101 136 H TYR 43 H TYR 43 10.943 -1.550 2.895 137 HA TYR 43 HA TYR 43 9.710 -2.229 4.673 138 1HB TYR 43 1HB TYR 43 11.661 -3.322 5.311 139 2HB TYR 43 2HB TYR 43 12.398 -1.841 5.949 140 HD1 TYR 43 1HD TYR 43 9.032 -3.481 6.518 141 HD2 TYR 43 2HD TYR 43 12.724 -2.021 8.245 142 HE1 TYR 43 1HE TYR 43 8.114 -3.772 8.775 143 HE2 TYR 43 2HE TYR 43 11.812 -2.401 10.506 144 HH TYR 43 HH TYR 43 10.028 -3.377 11.704 145 H MET 44 H MET 44 7.983 -1.006 5.299 146 HA MET 44 HA MET 44 8.472 1.506 6.848 147 1HB MET 44 1HB MET 44 6.135 0.720 5.099 148 2HB MET 44 2HB MET 44 6.341 2.303 5.854 149 1HG MET 44 1HG MET 44 8.347 1.218 3.882 150 2HG MET 44 2HG MET 44 6.825 2.041 3.398 151 1HE MET 44 1HE MET 44 10.409 2.412 4.872 152 2HE MET 44 2HE MET 44 10.535 4.160 5.159 153 3HE MET 44 3HE MET 44 9.601 3.164 6.278 154 H ALA 45 H ALA 45 6.867 -1.624 7.110 155 HA ALA 45 HA ALA 45 5.899 -1.324 9.775 156 1HB ALA 45 1HB ALA 45 3.956 -0.778 7.520 157 2HB ALA 45 2HB ALA 45 3.442 -1.505 9.065 158 3HB ALA 45 3HB ALA 45 4.179 0.100 9.041 159 H THR 46 H THR 46 4.726 -3.328 10.375 160 HA THR 46 HA THR 46 4.644 -5.500 8.437 161 HB THR 46 HB THR 46 6.323 -5.693 10.965 162 HG1 THR 46 1HG THR 46 7.337 -6.797 8.715 163 1HG2 THR 46 1HG2 THR 46 6.589 -8.107 10.318 164 2HG2 THR 46 2HG2 THR 46 4.954 -7.710 10.852 165 3HG2 THR 46 3HG2 THR 46 5.299 -7.898 9.116 166 H ARG 47 H ARG 47 2.496 -5.990 8.627 167 HA ARG 47 HA ARG 47 1.352 -6.517 11.237 168 1HB ARG 47 1HB ARG 47 -0.619 -4.891 10.589 169 2HB ARG 47 2HB ARG 47 0.781 -4.364 11.559 170 1HG ARG 47 1HG ARG 47 1.484 -2.896 10.015 171 2HG ARG 47 2HG ARG 47 1.065 -3.881 8.632 172 1HD ARG 47 1HD ARG 47 -1.420 -3.330 9.315 173 2HD ARG 47 2HD ARG 47 -0.693 -2.059 10.309 174 HE ARG 47 HE ARG 47 -1.061 -2.111 7.446 175 1HH1 ARG 47 2HH2 ARG 47 0.835 -0.538 10.031 176 2HH1 ARG 47 1HH2 ARG 47 1.341 0.753 9.023 177 1HH2 ARG 47 2HH1 ARG 47 -0.303 -0.420 6.111 178 2HH2 ARG 47 1HH1 ARG 47 0.914 0.679 6.732 179 H ASP 48 H ASP 48 -1.075 -7.081 10.927 180 HA ASP 48 HA ASP 48 -1.335 -8.891 8.624 181 1HB ASP 48 1HB ASP 48 -2.895 -8.452 11.154 182 2HB ASP 48 2HB ASP 48 -3.638 -9.268 9.758 183 HD2 ASP 48 HD ASP 48 -0.679 -11.216 11.593 184 H VAL 49 H VAL 49 -1.501 -7.626 6.882 185 HA VAL 49 HA VAL 49 -2.989 -5.098 6.871 186 HB VAL 49 HB VAL 49 -1.596 -6.462 4.535 187 1HG1 VAL 49 1HG1 VAL 49 -3.013 -4.516 3.989 188 2HG1 VAL 49 2HG1 VAL 49 -2.221 -3.556 5.250 189 3HG1 VAL 49 3HG1 VAL 49 -1.283 -4.075 3.839 190 1HG2 VAL 49 1HG2 VAL 49 0.356 -4.985 5.121 191 2HG2 VAL 49 2HG2 VAL 49 -0.429 -4.648 6.689 192 3HG2 VAL 49 3HG2 VAL 49 0.106 -6.296 6.250 193 H THR 50 H THR 50 -5.118 -5.329 6.967 194 HA THR 50 HA THR 50 -6.518 -7.587 5.828 195 HB THR 50 HB THR 50 -7.590 -4.940 6.847 196 HG1 THR 50 1HG THR 50 -6.258 -6.893 8.032 197 1HG2 THR 50 1HG2 THR 50 -8.853 -7.711 6.723 198 2HG2 THR 50 2HG2 THR 50 -9.619 -6.205 7.288 199 3HG2 THR 50 3HG2 THR 50 -9.187 -6.403 5.576 200 H PHE 51 H PHE 51 -6.426 -7.824 3.599 201 HA PHE 51 HA PHE 51 -6.574 -5.542 1.856 202 1HB PHE 51 1HB PHE 51 -6.581 -7.464 0.193 203 2HB PHE 51 2HB PHE 51 -5.145 -7.296 1.219 204 HD1 PHE 51 1HD PHE 51 -7.613 -9.516 -0.026 205 HD2 PHE 51 2HD PHE 51 -4.883 -8.914 3.233 206 HE1 PHE 51 1HE PHE 51 -7.354 -11.968 0.300 207 HE2 PHE 51 2HE PHE 51 -4.921 -11.364 3.688 208 HZ PHE 51 HZ PHE 51 -6.132 -12.883 2.210 209 H ASN 52 H ASN 52 -8.083 -5.841 -0.062 210 HA ASN 52 HA ASN 52 -10.826 -6.702 0.640 211 1HB ASN 52 1HB ASN 52 -10.020 -4.417 -1.204 212 2HB ASN 52 2HB ASN 52 -11.667 -4.980 -0.835 213 1HD2 ASN 52 1HD2 ASN 52 -10.256 -4.936 2.153 214 2HD2 ASN 52 2HD2 ASN 52 -10.656 -3.300 2.620 215 H THR 53 H THR 53 -11.911 -6.967 -1.666 216 HA THR 53 HA THR 53 -10.201 -8.491 -3.453 217 HB THR 53 HB THR 53 -12.824 -7.496 -4.439 218 HG1 THR 53 1HG THR 53 -13.423 -7.815 -2.306 219 1HG2 THR 53 1HG2 THR 53 -11.461 -9.238 -5.533 220 2HG2 THR 53 2HG2 THR 53 -11.522 -10.222 -4.049 221 3HG2 THR 53 3HG2 THR 53 -13.011 -9.925 -4.967 222 H GLY 54 H GLY 54 -9.909 -7.802 -5.772 223 1HA GLY 54 1HA GLY 54 -9.942 -5.025 -6.510 224 2HA GLY 54 2HA GLY 54 -8.341 -5.635 -6.021 225 H ASP 55 H ASP 55 -7.654 -5.372 -8.280 226 HA ASP 55 HA ASP 55 -8.019 -7.863 -9.694 227 1HB ASP 55 1HB ASP 55 -9.680 -5.935 -10.577 228 2HB ASP 55 2HB ASP 55 -8.199 -5.461 -11.447 229 HD2 ASP 55 HD ASP 55 -8.253 -8.404 -13.385 230 H SER 56 H SER 56 -5.890 -8.406 -9.742 231 HA SER 56 HA SER 56 -3.955 -6.761 -10.983 232 1HB SER 56 1HB SER 56 -3.429 -7.535 -8.062 233 2HB SER 56 2HB SER 56 -2.307 -6.656 -9.122 234 HG SER 56 HG SER 56 -3.251 -5.332 -7.639 235 H GLU 57 H GLU 57 -1.712 -8.231 -10.033 236 HA GLU 57 HA GLU 57 -1.331 -10.632 -11.019 237 1HB GLU 57 1HB GLU 57 -0.731 -9.918 -8.121 238 2HB GLU 57 2HB GLU 57 0.129 -11.109 -9.106 239 1HG GLU 57 1HG GLU 57 0.088 -8.090 -9.459 240 2HG GLU 57 2HG GLU 57 1.454 -9.068 -8.903 241 HE2 GLU 57 HE GLU 57 2.110 -10.136 -12.224 242 H GLN 58 H GLN 58 -2.751 -10.390 -7.680 243 HA GLN 58 HA GLN 58 -3.877 -13.120 -8.086 244 1HB GLN 58 1HB GLN 58 -3.962 -12.276 -5.374 245 2HB GLN 58 2HB GLN 58 -3.166 -13.674 -6.127 246 1HG GLN 58 1HG GLN 58 -1.458 -12.605 -4.969 247 2HG GLN 58 2HG GLN 58 -1.195 -12.036 -6.608 248 1HE2 GLN 58 1HE2 GLN 58 -1.531 -11.161 -3.422 249 2HE2 GLN 58 2HE2 GLN 58 -1.973 -9.442 -3.575 250 H GLY 59 H GLY 59 -4.829 -9.816 -7.666 251 1HA GLY 59 1HA GLY 59 -6.992 -9.173 -8.262 252 2HA GLY 59 2HA GLY 59 -7.626 -10.698 -7.816 253 H ILE 60 H ILE 60 -5.568 -9.178 -5.463 254 HA ILE 60 HA ILE 60 -7.832 -8.086 -3.941 255 HB ILE 60 HB ILE 60 -6.599 -9.020 -1.851 256 1HG1 ILE 60 1HG1 ILE 60 -5.699 -11.131 -3.864 257 2HG1 ILE 60 2HG1 ILE 60 -4.622 -9.901 -3.148 258 1HG2 ILE 60 1HG2 ILE 60 -8.852 -9.703 -2.373 259 2HG2 ILE 60 2HG2 ILE 60 -8.313 -10.744 -3.697 260 3HG2 ILE 60 3HG2 ILE 60 -7.977 -11.175 -2.014 261 1HD1 ILE 60 1HD1 ILE 60 -5.401 -10.774 -0.897 262 2HD1 ILE 60 2HD1 ILE 60 -6.012 -12.201 -1.755 263 3HD1 ILE 60 3HD1 ILE 60 -4.277 -11.775 -1.782 264 H VAL 61 H VAL 61 -7.114 -6.353 -2.541 265 HA VAL 61 HA VAL 61 -4.287 -5.606 -2.867 266 HB VAL 61 HB VAL 61 -4.685 -3.352 -3.432 267 1HG1 VAL 61 1HG1 VAL 61 -4.609 -4.919 -5.339 268 2HG1 VAL 61 2HG1 VAL 61 -6.388 -4.944 -5.367 269 3HG1 VAL 61 3HG1 VAL 61 -5.517 -3.442 -5.680 270 1HG2 VAL 61 1HG2 VAL 61 -6.869 -2.380 -3.985 271 2HG2 VAL 61 2HG2 VAL 61 -7.690 -3.862 -3.447 272 3HG2 VAL 61 3HG2 VAL 61 -6.793 -2.850 -2.290 273 HA PRO 62 HA PRO 62 -4.644 -5.046 1.541 274 1HB PRO 62 1HB PRO 62 -2.707 -3.216 2.011 275 2HB PRO 62 2HB PRO 62 -2.451 -4.958 1.656 276 1HG PRO 62 1HG PRO 62 -2.236 -2.604 -0.221 277 2HG PRO 62 2HG PRO 62 -1.110 -3.989 -0.057 278 1HD PRO 62 1HD PRO 62 -2.993 -3.872 -2.016 279 2HD PRO 62 2HD PRO 62 -2.543 -5.415 -1.247 280 H CYS 63 H CYS 63 -5.713 -3.665 3.035 281 HA CYS 63 HA CYS 63 -6.721 -1.019 2.209 282 1HB CYS 63 1HB CYS 63 -7.960 -2.457 3.814 283 2HB CYS 63 2HB CYS 63 -6.582 -2.366 4.934 284 HG CYS 63 HG CYS 63 -8.529 -0.880 5.825 285 H LEU 64 H LEU 64 -5.875 0.837 2.851 286 HA LEU 64 HA LEU 64 -3.469 1.186 4.375 287 1HB LEU 64 1HB LEU 64 -2.943 2.496 1.930 288 2HB LEU 64 2HB LEU 64 -1.982 1.259 2.719 289 HG LEU 64 HG LEU 64 -3.350 -0.425 1.312 290 1HD1 LEU 64 1HD1 LEU 64 -4.276 0.685 -0.820 291 2HD1 LEU 64 2HD1 LEU 64 -5.216 0.999 0.630 292 3HD1 LEU 64 3HD1 LEU 64 -4.117 2.236 0.005 293 1HD2 LEU 64 1HD2 LEU 64 -1.562 1.502 -0.192 294 2HD2 LEU 64 2HD2 LEU 64 -1.022 0.121 0.786 295 3HD2 LEU 64 3HD2 LEU 64 -1.977 -0.149 -0.674 296 H THR 65 H THR 65 -4.066 3.095 5.399 297 HA THR 65 HA THR 65 -6.274 4.568 4.145 298 HB THR 65 HB THR 65 -6.988 5.021 6.355 299 HG1 THR 65 1HG THR 65 -5.722 4.811 8.064 300 1HG2 THR 65 1HG2 THR 65 -7.462 2.687 5.697 301 2HG2 THR 65 2HG2 THR 65 -5.891 2.137 6.298 302 3HG2 THR 65 3HG2 THR 65 -7.078 2.731 7.421 303 H ARG 66 H ARG 66 -6.417 6.988 5.032 304 HA ARG 66 HA ARG 66 -4.186 8.372 3.904 305 1HB ARG 66 1HB ARG 66 -6.516 9.150 5.631 306 2HB ARG 66 2HB ARG 66 -5.161 10.282 5.432 307 1HG ARG 66 1HG ARG 66 -5.880 9.209 2.859 308 2HG ARG 66 2HG ARG 66 -7.340 9.814 3.647 309 1HD ARG 66 1HD ARG 66 -4.857 11.503 3.794 310 2HD ARG 66 2HD ARG 66 -5.637 11.415 2.223 311 HE ARG 66 HE ARG 66 -7.756 12.119 3.526 312 1HH1 ARG 66 2HH2 ARG 66 -4.659 12.831 5.236 313 2HH1 ARG 66 1HH2 ARG 66 -5.435 14.153 6.045 314 1HH2 ARG 66 2HH1 ARG 66 -8.565 13.967 4.586 315 2HH2 ARG 66 1HH1 ARG 66 -7.532 14.740 5.750 316 H ALA 67 H ALA 67 -4.746 7.271 7.180 317 HA ALA 67 HA ALA 67 -2.378 8.643 8.198 318 1HB ALA 67 1HB ALA 67 -2.623 7.219 10.151 319 2HB ALA 67 2HB ALA 67 -4.163 7.982 9.771 320 3HB ALA 67 3HB ALA 67 -3.888 6.260 9.370 321 H GLN 68 H GLN 68 -3.095 5.143 7.400 322 HA GLN 68 HA GLN 68 -0.549 4.179 7.995 323 1HB GLN 68 1HB GLN 68 -2.399 3.239 5.783 324 2HB GLN 68 2HB GLN 68 -1.126 2.279 6.530 325 1HG GLN 68 1HG GLN 68 -3.339 3.356 8.254 326 2HG GLN 68 2HG GLN 68 -3.669 1.993 7.159 327 1HE2 GLN 68 1HE2 GLN 68 -3.697 0.106 8.359 328 2HE2 GLN 68 2HE2 GLN 68 -2.567 -0.185 9.654 329 H LEU 69 H LEU 69 -1.630 5.831 5.090 330 HA LEU 69 HA LEU 69 0.783 5.176 3.549 331 1HB LEU 69 1HB LEU 69 -1.595 6.989 3.047 332 2HB LEU 69 2HB LEU 69 -0.270 6.703 1.893 333 HG LEU 69 HG LEU 69 -2.010 4.509 3.055 334 1HD1 LEU 69 1HD1 LEU 69 -3.062 4.483 0.808 335 2HD1 LEU 69 2HD1 LEU 69 -3.359 5.969 1.698 336 3HD1 LEU 69 3HD1 LEU 69 -2.154 5.952 0.371 337 1HD2 LEU 69 1HD2 LEU 69 0.033 3.535 2.435 338 2HD2 LEU 69 2HD2 LEU 69 -1.028 3.220 1.095 339 3HD2 LEU 69 3HD2 LEU 69 0.177 4.514 0.951 340 H ALA 70 H ALA 70 -0.511 8.057 5.268 341 HA ALA 70 HA ALA 70 1.848 9.623 4.582 342 1HB ALA 70 1HB ALA 70 -0.217 10.746 5.192 343 2HB ALA 70 2HB ALA 70 -0.245 9.925 6.769 344 3HB ALA 70 3HB ALA 70 1.033 11.112 6.400 345 H SER 71 H SER 71 1.174 7.026 6.884 346 HA SER 71 HA SER 71 3.273 7.503 8.710 347 1HB SER 71 1HB SER 71 1.878 5.010 7.793 348 2HB SER 71 2HB SER 71 3.276 4.934 8.892 349 HG SER 71 HG SER 71 2.207 6.271 10.320 350 H MET 72 H MET 72 3.253 5.358 5.761 351 HA MET 72 HA MET 72 6.132 5.103 5.582 352 1HB MET 72 1HB MET 72 5.698 4.325 3.261 353 2HB MET 72 2HB MET 72 4.799 3.387 4.438 354 1HG MET 72 1HG MET 72 2.809 4.763 4.016 355 2HG MET 72 2HG MET 72 3.730 5.654 2.805 356 1HE MET 72 1HE MET 72 1.915 1.448 2.480 357 2HE MET 72 2HE MET 72 3.189 1.805 3.682 358 3HE MET 72 3HE MET 72 1.633 2.664 3.754 359 H GLY 73 H GLY 73 4.290 7.887 5.234 360 1HA GLY 73 1HA GLY 73 5.121 9.971 4.726 361 2HA GLY 73 2HA GLY 73 6.512 9.235 3.943 362 H LEU 74 H LEU 74 3.438 8.036 2.771 363 HA LEU 74 HA LEU 74 3.797 9.175 0.153 364 1HB LEU 74 1HB LEU 74 2.586 7.329 -0.046 365 2HB LEU 74 2HB LEU 74 1.779 7.509 1.512 366 HG LEU 74 HG LEU 74 0.184 7.437 -0.208 367 1HD1 LEU 74 1HD1 LEU 74 -0.065 10.285 0.484 368 2HD1 LEU 74 2HD1 LEU 74 -1.233 8.971 0.460 369 3HD1 LEU 74 3HD1 LEU 74 -0.057 9.074 1.776 370 1HD2 LEU 74 1HD2 LEU 74 1.182 9.875 -1.624 371 2HD2 LEU 74 2HD2 LEU 74 1.557 8.209 -2.097 372 3HD2 LEU 74 3HD2 LEU 74 -0.120 8.770 -2.054 373 H ASN 75 H ASN 75 2.800 10.820 -0.785 374 HA ASN 75 HA ASN 75 1.951 13.118 0.912 375 1HB ASN 75 1HB ASN 75 3.944 13.306 -0.662 376 2HB ASN 75 2HB ASN 75 2.809 13.195 -2.011 377 1HD2 ASN 75 1HD2 ASN 75 4.375 15.602 -1.686 378 2HD2 ASN 75 2HD2 ASN 75 3.328 16.815 -0.968 379 H THR 76 H THR 76 -0.347 12.816 1.140 380 HA THR 76 HA THR 76 -1.958 12.074 -1.076 381 HB THR 76 HB THR 76 -3.802 12.543 0.439 382 HG1 THR 76 1HG THR 76 -3.171 14.687 0.978 383 1HG2 THR 76 1HG2 THR 76 -2.328 10.745 1.333 384 2HG2 THR 76 2HG2 THR 76 -1.460 11.930 2.331 385 3HG2 THR 76 3HG2 THR 76 -3.148 11.601 2.626 386 H ALA 77 H ALA 77 -0.392 15.167 -0.468 387 HA ALA 77 HA ALA 77 -2.537 16.817 -1.579 388 1HB ALA 77 1HB ALA 77 0.413 17.489 -1.241 389 2HB ALA 77 2HB ALA 77 -0.941 18.608 -1.463 390 3HB ALA 77 3HB ALA 77 -0.803 17.687 0.042 391 H SER 78 H SER 78 0.449 15.172 -2.683 392 HA SER 78 HA SER 78 0.679 16.344 -5.204 393 1HB SER 78 1HB SER 78 1.297 13.490 -4.355 394 2HB SER 78 2HB SER 78 1.982 14.325 -5.766 395 HG SER 78 HG SER 78 2.985 15.769 -4.394 396 H VAL 79 H VAL 79 -1.727 13.878 -4.102 397 HA VAL 79 HA VAL 79 -2.586 13.533 -6.877 398 HB VAL 79 HB VAL 79 -1.780 11.602 -6.242 399 1HG1 VAL 79 1HG1 VAL 79 -1.893 10.393 -4.131 400 2HG1 VAL 79 2HG1 VAL 79 -0.843 11.783 -4.238 401 3HG1 VAL 79 3HG1 VAL 79 -2.416 11.931 -3.378 402 1HG2 VAL 79 1HG2 VAL 79 -4.126 11.254 -6.877 403 2HG2 VAL 79 2HG2 VAL 79 -3.516 9.967 -5.850 404 3HG2 VAL 79 3HG2 VAL 79 -4.585 11.237 -5.184 405 H ALA 80 H ALA 80 -4.121 14.928 -7.240 406 HA ALA 80 HA ALA 80 -6.095 15.919 -5.449 407 1HB ALA 80 1HB ALA 80 -7.342 16.473 -7.451 408 2HB ALA 80 2HB ALA 80 -5.623 16.780 -7.775 409 3HB ALA 80 3HB ALA 80 -6.409 15.316 -8.415 410 H GLY 81 H GLY 81 -7.977 14.986 -4.692 411 1HA GLY 81 1HA GLY 81 -9.613 13.347 -4.485 412 2HA GLY 81 2HA GLY 81 -8.736 12.300 -5.600 413 H MET 82 H MET 82 -6.261 13.026 -3.564 414 HA MET 82 HA MET 82 -7.011 10.761 -1.794 415 1HB MET 82 1HB MET 82 -4.845 10.844 -3.081 416 2HB MET 82 2HB MET 82 -4.306 12.084 -1.952 417 1HG MET 82 1HG MET 82 -4.459 10.607 -0.099 418 2HG MET 82 2HG MET 82 -5.454 9.443 -0.977 419 1HE MET 82 1HE MET 82 -3.894 8.989 -3.783 420 2HE MET 82 2HE MET 82 -3.014 7.543 -3.255 421 3HE MET 82 3HE MET 82 -4.692 7.814 -2.726 422 H ASN 83 H ASN 83 -6.202 14.156 -1.603 423 HA ASN 83 HA ASN 83 -5.809 14.290 1.209 424 1HB ASN 83 1HB ASN 83 -5.752 16.668 0.883 425 2HB ASN 83 2HB ASN 83 -4.922 15.848 -0.452 426 1HD2 ASN 83 1HD2 ASN 83 -5.524 16.306 -2.532 427 2HD2 ASN 83 2HD2 ASN 83 -6.881 17.330 -2.913 428 H LEU 84 H LEU 84 -8.652 13.499 -0.080 429 HA LEU 84 HA LEU 84 -10.325 14.942 1.846 430 1HB LEU 84 1HB LEU 84 -12.186 14.434 0.181 431 2HB LEU 84 2HB LEU 84 -11.144 15.844 -0.010 432 HG LEU 84 HG LEU 84 -11.719 14.682 -2.117 433 1HD1 LEU 84 1HD1 LEU 84 -9.785 15.299 -3.066 434 2HD1 LEU 84 2HD1 LEU 84 -9.430 15.836 -1.402 435 3HD1 LEU 84 3HD1 LEU 84 -8.783 14.309 -1.978 436 1HD2 LEU 84 1HD2 LEU 84 -9.885 12.431 -1.219 437 2HD2 LEU 84 2HD2 LEU 84 -11.652 12.344 -1.083 438 3HD2 LEU 84 3HD2 LEU 84 -10.910 12.523 -2.673 439 H LEU 85 H LEU 85 -8.949 11.995 1.253 440 HA LEU 85 HA LEU 85 -11.227 10.243 1.884 441 1HB LEU 85 1HB LEU 85 -8.265 9.929 1.314 442 2HB LEU 85 2HB LEU 85 -9.134 8.592 2.079 443 HG LEU 85 HG LEU 85 -10.197 9.918 -0.444 444 1HD1 LEU 85 1HD1 LEU 85 -9.035 8.412 -1.833 445 2HD1 LEU 85 2HD1 LEU 85 -7.802 9.112 -0.768 446 3HD1 LEU 85 3HD1 LEU 85 -8.418 7.482 -0.448 447 1HD2 LEU 85 1HD2 LEU 85 -11.179 7.654 -0.770 448 2HD2 LEU 85 2HD2 LEU 85 -10.468 7.105 0.755 449 3HD2 LEU 85 3HD2 LEU 85 -11.723 8.365 0.754 450 H ALA 86 H ALA 86 -10.796 8.645 3.767 451 HA ALA 86 HA ALA 86 -10.287 10.316 6.144 452 1HB ALA 86 1HB ALA 86 -11.546 7.555 6.073 453 2HB ALA 86 2HB ALA 86 -11.634 8.787 7.347 454 3HB ALA 86 3HB ALA 86 -12.460 9.053 5.804 455 H ASP 87 H ASP 87 -9.288 9.415 7.973 456 HA ASP 87 HA ASP 87 -6.786 8.143 7.459 457 1HB ASP 87 1HB ASP 87 -6.188 8.795 9.515 458 2HB ASP 87 2HB ASP 87 -7.422 9.993 9.106 459 HD2 ASP 87 HD ASP 87 -9.590 8.244 11.501 460 H ASP 88 H ASP 88 -9.811 6.767 7.884 461 HA ASP 88 HA ASP 88 -8.433 4.187 7.823 462 1HB ASP 88 1HB ASP 88 -10.178 4.986 9.996 463 2HB ASP 88 2HB ASP 88 -10.698 3.478 9.230 464 HD2 ASP 88 HD ASP 88 -7.732 1.811 10.165 465 H ALA 89 H ALA 89 -9.368 5.784 5.715 466 HA ALA 89 HA ALA 89 -11.564 4.125 4.625 467 1HB ALA 89 1HB ALA 89 -11.357 5.579 2.625 468 2HB ALA 89 2HB ALA 89 -11.756 6.484 4.089 469 3HB ALA 89 3HB ALA 89 -10.083 6.511 3.450 470 H CYS 90 H CYS 90 -11.009 2.447 3.058 471 HA CYS 90 HA CYS 90 -8.314 1.658 2.570 472 1HB CYS 90 1HB CYS 90 -10.875 1.175 1.028 473 2HB CYS 90 2HB CYS 90 -9.370 0.267 0.811 474 HG CYS 90 HG CYS 90 -11.160 -1.250 1.955 475 H VAL 91 H VAL 91 -7.030 3.451 1.754 476 HA VAL 91 HA VAL 91 -8.179 5.302 -0.128 477 HB VAL 91 HB VAL 91 -5.341 4.770 0.812 478 1HG1 VAL 91 1HG1 VAL 91 -6.205 7.102 -0.931 479 2HG1 VAL 91 2HG1 VAL 91 -4.629 6.886 -0.172 480 3HG1 VAL 91 3HG1 VAL 91 -5.140 5.767 -1.422 481 1HG2 VAL 91 1HG2 VAL 91 -5.608 6.822 2.102 482 2HG2 VAL 91 2HG2 VAL 91 -7.200 7.121 1.392 483 3HG2 VAL 91 3HG2 VAL 91 -6.964 5.750 2.469 484 HA PRO 92 HA PRO 92 -7.296 2.643 -3.613 485 1HB PRO 92 1HB PRO 92 -8.139 4.106 -5.699 486 2HB PRO 92 2HB PRO 92 -9.288 3.641 -4.407 487 1HG PRO 92 1HG PRO 92 -7.762 6.244 -4.661 488 2HG PRO 92 2HG PRO 92 -9.524 6.010 -4.402 489 1HD PRO 92 1HD PRO 92 -7.753 6.460 -2.349 490 2HD PRO 92 2HD PRO 92 -9.231 5.483 -2.169 491 H LEU 93 H LEU 93 -5.108 3.230 -2.589 492 HA LEU 93 HA LEU 93 -3.317 5.163 -3.623 493 1HB LEU 93 1HB LEU 93 -3.218 4.100 -1.446 494 2HB LEU 93 2HB LEU 93 -2.894 2.528 -2.160 495 HG LEU 93 HG LEU 93 -1.079 3.866 -0.990 496 1HD1 LEU 93 1HD1 LEU 93 0.664 2.784 -2.060 497 2HD1 LEU 93 2HD1 LEU 93 -0.733 1.752 -2.357 498 3HD1 LEU 93 3HD1 LEU 93 -0.118 2.819 -3.629 499 1HD2 LEU 93 1HD2 LEU 93 -1.410 6.001 -2.357 500 2HD2 LEU 93 2HD2 LEU 93 0.233 5.449 -2.000 501 3HD2 LEU 93 3HD2 LEU 93 -0.424 5.171 -3.601 502 H THR 94 H THR 94 -4.389 2.262 -5.172 503 HA THR 94 HA THR 94 -2.171 2.604 -7.141 504 HB THR 94 HB THR 94 -2.572 -0.005 -7.398 505 HG1 THR 94 1HG THR 94 -2.834 0.232 -4.623 506 1HG2 THR 94 1HG2 THR 94 -0.461 1.058 -6.747 507 2HG2 THR 94 2HG2 THR 94 -1.041 1.323 -5.103 508 3HG2 THR 94 3HG2 THR 94 -0.780 -0.326 -5.669 509 H THR 95 H THR 95 -5.228 3.383 -6.761 510 HA THR 95 HA THR 95 -5.845 2.852 -9.632 511 HB THR 95 HB THR 95 -7.758 4.137 -7.686 512 HG1 THR 95 1HG THR 95 -7.180 1.863 -7.123 513 1HG2 THR 95 1HG2 THR 95 -8.203 4.461 -10.082 514 2HG2 THR 95 2HG2 THR 95 -8.182 2.698 -10.328 515 3HG2 THR 95 3HG2 THR 95 -9.433 3.458 -9.308 516 H MET 96 H MET 96 -6.011 5.423 -7.076 517 HA MET 96 HA MET 96 -5.964 7.564 -8.982 518 1HB MET 96 1HB MET 96 -5.630 7.369 -5.973 519 2HB MET 96 2HB MET 96 -5.572 8.924 -6.849 520 1HG MET 96 1HG MET 96 -7.810 8.406 -7.796 521 2HG MET 96 2HG MET 96 -7.913 7.011 -6.733 522 1HE MET 96 1HE MET 96 -6.558 7.987 -4.094 523 2HE MET 96 2HE MET 96 -6.060 9.655 -4.510 524 3HE MET 96 3HE MET 96 -7.324 9.349 -3.300 525 H VAL 97 H VAL 97 -3.258 5.637 -7.816 526 HA VAL 97 HA VAL 97 -1.476 7.692 -8.818 527 HB VAL 97 HB VAL 97 -0.161 7.400 -7.203 528 1HG1 VAL 97 1HG1 VAL 97 -2.386 6.285 -5.522 529 2HG1 VAL 97 2HG1 VAL 97 -0.969 7.194 -4.942 530 3HG1 VAL 97 3HG1 VAL 97 -2.187 7.990 -5.941 531 1HG2 VAL 97 1HG2 VAL 97 0.570 5.605 -5.847 532 2HG2 VAL 97 2HG2 VAL 97 -0.393 4.583 -6.955 533 3HG2 VAL 97 3HG2 VAL 97 0.912 5.627 -7.573 534 H GLN 98 H GLN 98 -0.754 7.095 -10.696 535 HA GLN 98 HA GLN 98 -0.707 4.290 -11.585 536 1HB GLN 98 1HB GLN 98 -1.079 6.617 -12.882 537 2HB GLN 98 2HB GLN 98 0.678 6.578 -13.003 538 1HG GLN 98 1HG GLN 98 0.543 4.334 -14.061 539 2HG GLN 98 2HG GLN 98 -1.222 4.333 -13.842 540 1HE2 GLN 98 1HE2 GLN 98 0.267 4.060 -16.299 541 2HE2 GLN 98 2HE2 GLN 98 -0.136 5.373 -17.384 542 H ASP 99 H ASP 99 1.476 3.506 -12.455 543 HA ASP 99 HA ASP 99 3.554 2.851 -12.307 544 1HB ASP 99 1HB ASP 99 4.116 5.260 -12.519 545 2HB ASP 99 2HB ASP 99 4.253 5.336 -10.755 546 HD2 ASP 99 HD ASP 99 6.986 3.036 -12.564 547 H ALA 100 H ALA 100 2.124 3.825 -9.239 548 HA ALA 100 HA ALA 100 3.740 2.153 -7.551 549 1HB ALA 100 1HB ALA 100 1.787 2.411 -6.023 550 2HB ALA 100 2HB ALA 100 2.185 3.943 -6.781 551 3HB ALA 100 3HB ALA 100 0.816 2.925 -7.381 552 H THR 101 H THR 101 2.416 0.421 -6.246 553 HA THR 101 HA THR 101 0.451 -1.189 -7.321 554 HB THR 101 HB THR 101 2.275 -3.275 -7.472 555 HG1 THR 101 1HG THR 101 3.380 -1.213 -9.057 556 1HG2 THR 101 1HG2 THR 101 1.749 -3.400 -9.832 557 2HG2 THR 101 2HG2 THR 101 0.310 -2.907 -8.923 558 3HG2 THR 101 3HG2 THR 101 1.231 -1.723 -9.867 559 H ALA 102 H ALA 102 -0.099 -2.949 -5.765 560 HA ALA 102 HA ALA 102 1.781 -3.341 -3.526 561 1HB ALA 102 1HB ALA 102 -0.059 -3.212 -1.936 562 2HB ALA 102 2HB ALA 102 0.111 -1.673 -2.799 563 3HB ALA 102 3HB ALA 102 -1.197 -2.791 -3.239 564 H HIS 103 H HIS 103 2.422 -5.344 -4.262 565 HA HIS 103 HA HIS 103 0.316 -7.414 -4.732 566 1HB HIS 103 1HB HIS 103 1.426 -8.058 -6.488 567 2HB HIS 103 2HB HIS 103 2.471 -6.649 -6.333 568 HD1 HIS 103 1HD HIS 103 4.991 -7.305 -6.491 569 HD2 HIS 103 2HD HIS 103 2.494 -10.310 -4.857 570 HE1 HIS 103 1HE HIS 103 6.467 -9.258 -5.933 571 HE2 HIS 103 2HE HIS 103 4.986 -11.131 -4.979 572 H LEU 104 H LEU 104 0.248 -9.157 -3.369 573 HA LEU 104 HA LEU 104 1.972 -9.090 -0.955 574 1HB LEU 104 1HB LEU 104 -0.136 -9.344 -0.200 575 2HB LEU 104 2HB LEU 104 -0.731 -10.172 -1.622 576 HG LEU 104 HG LEU 104 0.988 -12.024 -0.473 577 1HD1 LEU 104 1HD1 LEU 104 1.456 -11.700 1.519 578 2HD1 LEU 104 2HD1 LEU 104 0.460 -10.241 1.624 579 3HD1 LEU 104 3HD1 LEU 104 -0.240 -11.850 1.931 580 1HD2 LEU 104 1HD2 LEU 104 -0.899 -12.808 -1.468 581 2HD2 LEU 104 2HD2 LEU 104 -1.192 -13.138 0.246 582 3HD2 LEU 104 3HD2 LEU 104 -1.976 -11.775 -0.536 583 H ASP 105 H ASP 105 3.797 -10.214 -0.999 584 HA ASP 105 HA ASP 105 4.054 -12.825 -2.370 585 1HB ASP 105 1HB ASP 105 5.915 -11.110 -2.401 586 2HB ASP 105 2HB ASP 105 5.984 -11.252 -0.630 587 HD2 ASP 105 HD ASP 105 8.459 -13.532 -1.796 588 H VAL 106 H VAL 106 2.575 -14.134 -0.982 589 HA VAL 106 HA VAL 106 2.927 -14.082 1.907 590 HB VAL 106 HB VAL 106 1.381 -15.697 -0.043 591 1HG1 VAL 106 1HG1 VAL 106 2.522 -17.613 1.021 592 2HG1 VAL 106 2HG1 VAL 106 2.122 -16.937 2.628 593 3HG1 VAL 106 3HG1 VAL 106 0.840 -17.496 1.551 594 1HG2 VAL 106 1HG2 VAL 106 0.879 -14.804 2.826 595 2HG2 VAL 106 2HG2 VAL 106 0.517 -13.884 1.365 596 3HG2 VAL 106 3HG2 VAL 106 -0.335 -15.403 1.674 597 H GLY 107 H GLY 107 4.873 -15.477 -0.677 598 1HA GLY 107 1HA GLY 107 5.936 -17.662 0.849 599 2HA GLY 107 2HA GLY 107 6.573 -16.998 -0.654 600 H GLN 108 H GLN 108 6.897 -14.273 0.418 601 HA GLN 108 HA GLN 108 8.981 -14.731 2.530 602 1HB GLN 108 1HB GLN 108 9.539 -13.732 0.138 603 2HB GLN 108 2HB GLN 108 8.982 -12.222 0.862 604 1HG GLN 108 1HG GLN 108 11.416 -12.443 1.135 605 2HG GLN 108 2HG GLN 108 10.656 -12.578 2.728 606 1HE2 GLN 108 1HE2 GLN 108 11.581 -14.695 -0.051 607 2HE2 GLN 108 2HE2 GLN 108 11.895 -16.089 0.930 608 H GLN 109 H GLN 109 5.873 -13.640 2.237 609 HA GLN 109 HA GLN 109 4.501 -12.443 3.393 610 1HB GLN 109 1HB GLN 109 6.536 -12.758 5.611 611 2HB GLN 109 2HB GLN 109 4.942 -11.973 5.759 612 1HG GLN 109 1HG GLN 109 3.956 -14.150 4.828 613 2HG GLN 109 2HG GLN 109 5.560 -14.878 5.033 614 1HE2 GLN 109 1HE2 GLN 109 2.849 -13.301 6.794 615 2HE2 GLN 109 2HE2 GLN 109 3.161 -14.142 8.300 616 H ARG 110 H ARG 110 5.504 -11.112 1.574 617 HA ARG 110 HA ARG 110 6.564 -8.542 2.625 618 1HB ARG 110 1HB ARG 110 8.279 -10.055 1.631 619 2HB ARG 110 2HB ARG 110 7.460 -9.884 0.077 620 1HG ARG 110 1HG ARG 110 7.648 -7.299 0.541 621 2HG ARG 110 2HG ARG 110 8.864 -7.824 1.742 622 1HD ARG 110 1HD ARG 110 9.771 -9.218 -0.336 623 2HD ARG 110 2HD ARG 110 8.959 -7.978 -1.268 624 HE ARG 110 HE ARG 110 11.113 -7.656 0.741 625 1HH1 ARG 110 2HH2 ARG 110 9.649 -6.415 -2.317 626 2HH1 ARG 110 1HH2 ARG 110 10.646 -5.018 -2.378 627 1HH2 ARG 110 2HH1 ARG 110 12.686 -6.065 0.341 628 2HH2 ARG 110 1HH1 ARG 110 12.688 -5.201 -1.168 629 H LEU 111 H LEU 111 5.152 -6.999 2.278 630 HA LEU 111 HA LEU 111 3.266 -7.244 0.051 631 1HB LEU 111 1HB LEU 111 2.718 -6.430 2.472 632 2HB LEU 111 2HB LEU 111 3.400 -4.900 1.954 633 HG LEU 111 HG LEU 111 1.660 -4.524 0.419 634 1HD1 LEU 111 1HD1 LEU 111 -0.115 -6.137 -0.140 635 2HD1 LEU 111 2HD1 LEU 111 1.471 -6.407 -0.849 636 3HD1 LEU 111 3HD1 LEU 111 0.938 -7.411 0.535 637 1HD2 LEU 111 1HD2 LEU 111 -0.307 -4.678 1.812 638 2HD2 LEU 111 2HD2 LEU 111 0.455 -5.908 2.817 639 3HD2 LEU 111 3HD2 LEU 111 1.087 -4.244 2.775 640 H ASN 112 H ASN 112 4.437 -6.962 -1.710 641 HA ASN 112 HA ASN 112 6.758 -5.229 -1.972 642 1HB ASN 112 1HB ASN 112 5.110 -7.013 -3.760 643 2HB ASN 112 2HB ASN 112 6.191 -5.780 -4.465 644 1HD2 ASN 112 1HD2 ASN 112 6.079 -8.957 -2.949 645 2HD2 ASN 112 2HD2 ASN 112 7.813 -9.184 -2.941 646 H LEU 113 H LEU 113 6.451 -3.140 -1.833 647 HA LEU 113 HA LEU 113 4.016 -1.839 -2.925 648 1HB LEU 113 1HB LEU 113 5.322 -1.855 -0.291 649 2HB LEU 113 2HB LEU 113 5.188 -0.213 -0.938 650 HG LEU 113 HG LEU 113 3.378 -0.718 0.555 651 1HD1 LEU 113 1HD1 LEU 113 1.534 0.035 -0.750 652 2HD1 LEU 113 2HD1 LEU 113 2.991 0.802 -1.407 653 3HD1 LEU 113 3HD1 LEU 113 2.262 -0.597 -2.232 654 1HD2 LEU 113 1HD2 LEU 113 3.278 -3.091 0.246 655 2HD2 LEU 113 2HD2 LEU 113 1.671 -2.340 0.042 656 3HD2 LEU 113 3HD2 LEU 113 2.591 -2.901 -1.375 657 H THR 114 H THR 114 4.527 -0.432 -4.593 658 HA THR 114 HA THR 114 7.110 1.001 -4.333 659 HB THR 114 HB THR 114 5.863 -0.230 -6.864 660 HG1 THR 114 1HG THR 114 7.856 -1.323 -6.964 661 1HG2 THR 114 1HG2 THR 114 8.296 1.574 -6.642 662 2HG2 THR 114 2HG2 THR 114 7.821 0.679 -8.099 663 3HG2 THR 114 3HG2 THR 114 6.778 1.958 -7.477 664 H ILE 115 H ILE 115 6.955 3.208 -5.016 665 HA ILE 115 HA ILE 115 4.409 4.196 -5.983 666 HB ILE 115 HB ILE 115 5.599 5.067 -3.319 667 1HG1 ILE 115 1HG1 ILE 115 2.753 4.430 -4.209 668 2HG1 ILE 115 2HG1 ILE 115 3.795 3.366 -3.241 669 1HG2 ILE 115 1HG2 ILE 115 5.319 7.136 -4.674 670 2HG2 ILE 115 2HG2 ILE 115 3.612 6.694 -4.956 671 3HG2 ILE 115 3HG2 ILE 115 4.207 7.081 -3.335 672 1HD1 ILE 115 1HD1 ILE 115 3.844 5.277 -1.499 673 2HD1 ILE 115 2HD1 ILE 115 2.474 5.946 -2.403 674 3HD1 ILE 115 3HD1 ILE 115 2.353 4.335 -1.670 675 HA PRO 116 HA PRO 116 7.322 6.048 -8.635 676 1HB PRO 116 1HB PRO 116 5.896 8.487 -9.218 677 2HB PRO 116 2HB PRO 116 5.816 6.975 -10.118 678 1HG PRO 116 1HG PRO 116 4.032 7.979 -7.949 679 2HG PRO 116 2HG PRO 116 3.593 7.019 -9.387 680 1HD PRO 116 1HD PRO 116 3.757 5.882 -6.948 681 2HD PRO 116 2HD PRO 116 4.430 5.018 -8.356 682 H GLN 117 H GLN 117 7.712 7.147 -5.709 683 HA GLN 117 HA GLN 117 8.649 8.569 -4.502 684 1HB GLN 117 1HB GLN 117 10.135 9.318 -7.005 685 2HB GLN 117 2HB GLN 117 10.562 9.551 -5.284 686 1HG GLN 117 1HG GLN 117 10.132 6.747 -6.128 687 2HG GLN 117 2HG GLN 117 11.562 7.601 -6.801 688 1HE2 GLN 117 1HE2 GLN 117 10.326 5.955 -3.962 689 2HE2 GLN 117 2HE2 GLN 117 11.727 6.341 -2.973 690 H ALA 118 H ALA 118 7.344 10.078 -7.454 691 HA ALA 118 HA ALA 118 7.467 12.660 -6.588 692 1HB ALA 118 1HB ALA 118 5.519 13.112 -8.091 693 2HB ALA 118 2HB ALA 118 6.804 12.141 -8.828 694 3HB ALA 118 3HB ALA 118 5.301 11.358 -8.277 695 H PHE 119 H PHE 119 4.916 10.294 -5.962 696 HA PHE 119 HA PHE 119 3.294 12.003 -4.247 697 1HB PHE 119 1HB PHE 119 3.329 8.995 -4.713 698 2HB PHE 119 2HB PHE 119 2.056 9.886 -3.864 699 HD1 PHE 119 1HD PHE 119 3.648 9.999 -7.352 700 HD2 PHE 119 2HD PHE 119 0.086 9.794 -4.951 701 HE1 PHE 119 1HE PHE 119 2.277 10.091 -9.339 702 HE2 PHE 119 2HE PHE 119 -1.268 9.683 -7.054 703 HZ PHE 119 HZ PHE 119 -0.133 9.710 -9.257 704 H MET 120 H MET 120 6.089 11.808 -3.286 705 HA MET 120 HA MET 120 5.670 10.405 -0.693 706 1HB MET 120 1HB MET 120 8.247 10.505 -2.286 707 2HB MET 120 2HB MET 120 8.072 9.821 -0.660 708 1HG MET 120 1HG MET 120 6.788 8.792 -3.179 709 2HG MET 120 2HG MET 120 8.122 8.054 -2.279 710 1HE MET 120 1HE MET 120 7.828 7.150 0.274 711 2HE MET 120 2HE MET 120 6.847 8.524 0.835 712 3HE MET 120 3HE MET 120 6.238 6.878 1.022 713 H SER 121 H SER 121 5.625 11.855 0.847 714 HA SER 121 HA SER 121 6.243 14.674 0.344 715 1HB SER 121 1HB SER 121 4.289 14.158 1.655 716 2HB SER 121 2HB SER 121 5.201 13.101 2.737 717 HG SER 121 HG SER 121 6.143 14.821 3.686 718 H ASN 122 H ASN 122 8.486 14.778 0.023 719 HA ASN 122 HA ASN 122 10.323 15.627 0.861 720 1HB ASN 122 1HB ASN 122 8.772 15.733 3.061 721 2HB ASN 122 2HB ASN 122 10.070 14.668 3.654 722 1HD2 ASN 122 1HD2 ASN 122 9.274 17.916 2.385 723 2HD2 ASN 122 2HD2 ASN 122 10.842 18.621 2.726 724 H ARG 123 H ARG 123 9.846 12.473 2.432 725 HA ARG 123 HA ARG 123 10.827 10.684 1.061 726 1HB ARG 123 1HB ARG 123 13.353 12.143 1.584 727 2HB ARG 123 2HB ARG 123 13.391 10.352 1.594 728 1HG ARG 123 1HG ARG 123 12.226 10.385 -0.637 729 2HG ARG 123 2HG ARG 123 12.462 12.136 -0.694 730 1HD ARG 123 1HD ARG 123 14.809 11.919 -0.873 731 2HD ARG 123 2HD ARG 123 14.782 10.332 -0.040 732 HE ARG 123 HE ARG 123 13.557 10.443 -2.703 733 1HH1 ARG 123 2HH2 ARG 123 16.478 9.684 -0.768 734 2HH1 ARG 123 1HH2 ARG 123 17.127 8.577 -1.903 735 1HH2 ARG 123 2HH1 ARG 123 14.245 8.605 -3.986 736 2HH2 ARG 123 1HH1 ARG 123 15.823 7.935 -3.788 737 H ALA 124 H ALA 124 9.350 10.108 2.765 738 HA ALA 124 HA ALA 124 8.738 8.919 4.595 739 1HB ALA 124 1HB ALA 124 10.842 7.143 3.323 740 2HB ALA 124 2HB ALA 124 9.468 6.602 4.313 741 3HB ALA 124 3HB ALA 124 9.168 7.366 2.740 742 H ARG 125 H ARG 125 10.215 10.783 5.705 743 HA ARG 125 HA ARG 125 12.869 10.246 6.248 744 1HB ARG 125 1HB ARG 125 10.956 12.078 7.754 745 2HB ARG 125 2HB ARG 125 12.722 12.160 7.876 746 1HG ARG 125 1HG ARG 125 11.027 12.851 5.468 747 2HG ARG 125 2HG ARG 125 11.937 13.963 6.531 748 1HD ARG 125 1HD ARG 125 14.024 12.626 5.796 749 2HD ARG 125 2HD ARG 125 12.972 12.012 4.492 750 HE ARG 125 HE ARG 125 12.736 14.804 4.528 751 1HH1 ARG 125 2HH2 ARG 125 15.141 12.295 3.647 752 2HH1 ARG 125 1HH2 ARG 125 15.943 13.320 2.505 753 1HH2 ARG 125 2HH1 ARG 125 13.738 16.059 2.918 754 2HH2 ARG 125 1HH1 ARG 125 15.037 15.344 1.985 Start of MODEL 10 1 1H GLY 25 H GLY 25 -4.849 -14.319 -13.511 2 1HA GLY 25 1HA GLY 25 -6.825 -12.888 -13.373 3 2HA GLY 25 2HA GLY 25 -7.274 -14.586 -13.202 4 H GLN 26 H GLN 26 -8.044 -15.343 -11.174 5 HA GLN 26 HA GLN 26 -7.784 -13.558 -8.855 6 1HB GLN 26 1HB GLN 26 -9.922 -12.898 -9.185 7 2HB GLN 26 2HB GLN 26 -10.375 -14.436 -9.995 8 1HG GLN 26 1HG GLN 26 -11.557 -14.126 -7.945 9 2HG GLN 26 2HG GLN 26 -10.569 -15.582 -7.973 10 1HE2 GLN 26 1HE2 GLN 26 -8.171 -13.328 -6.963 11 2HE2 GLN 26 2HE2 GLN 26 -8.609 -13.383 -5.297 12 H GLU 27 H GLU 27 -6.588 -14.686 -7.634 13 HA GLU 27 HA GLU 27 -6.793 -17.604 -7.487 14 1HB GLU 27 1HB GLU 27 -4.266 -17.536 -8.002 15 2HB GLU 27 2HB GLU 27 -5.377 -17.164 -9.354 16 1HG GLU 27 1HG GLU 27 -5.018 -14.714 -8.832 17 2HG GLU 27 2HG GLU 27 -3.755 -15.166 -7.706 18 HE2 GLU 27 HE GLU 27 -1.572 -15.202 -10.441 19 H LEU 28 H LEU 28 -7.152 -15.159 -5.779 20 HA LEU 28 HA LEU 28 -6.151 -16.320 -3.352 21 1HB LEU 28 1HB LEU 28 -4.756 -14.018 -4.537 22 2HB LEU 28 2HB LEU 28 -5.297 -13.742 -2.859 23 HG LEU 28 HG LEU 28 -3.452 -15.972 -3.790 24 1HD1 LEU 28 1HD1 LEU 28 -2.471 -13.686 -3.639 25 2HD1 LEU 28 2HD1 LEU 28 -2.994 -13.592 -1.934 26 3HD1 LEU 28 3HD1 LEU 28 -1.791 -14.798 -2.453 27 1HD2 LEU 28 1HD2 LEU 28 -4.674 -16.905 -1.959 28 2HD2 LEU 28 2HD2 LEU 28 -3.210 -16.238 -1.244 29 3HD2 LEU 28 3HD2 LEU 28 -4.733 -15.339 -1.101 30 HA PRO 29 HA PRO 29 -10.114 -14.184 -2.700 31 1HB PRO 29 1HB PRO 29 -11.119 -15.758 -0.723 32 2HB PRO 29 2HB PRO 29 -11.004 -16.324 -2.418 33 1HG PRO 29 1HG PRO 29 -9.113 -16.887 -0.126 34 2HG PRO 29 2HG PRO 29 -9.757 -18.044 -1.340 35 1HD PRO 29 1HD PRO 29 -7.274 -16.826 -1.494 36 2HD PRO 29 2HD PRO 29 -8.172 -17.369 -2.927 37 HA PRO 30 HA PRO 30 -8.819 -11.354 0.199 38 1HB PRO 30 1HB PRO 30 -11.031 -10.120 1.195 39 2HB PRO 30 2HB PRO 30 -10.475 -10.034 -0.507 40 1HG PRO 30 1HG PRO 30 -12.558 -11.878 0.672 41 2HG PRO 30 2HG PRO 30 -12.684 -10.869 -0.812 42 1HD PRO 30 1HD PRO 30 -12.031 -13.511 -0.919 43 2HD PRO 30 2HD PRO 30 -11.282 -12.333 -2.025 44 H GLY 31 H GLY 31 -9.082 -10.260 2.543 45 1HA GLY 31 1HA GLY 31 -9.826 -11.544 4.833 46 2HA GLY 31 2HA GLY 31 -8.359 -12.418 4.359 47 H THR 32 H THR 32 -7.108 -11.624 6.179 48 HA THR 32 HA THR 32 -5.867 -9.076 5.477 49 HB THR 32 HB THR 32 -7.299 -8.513 7.413 50 HG1 THR 32 1HG THR 32 -5.486 -7.760 8.731 51 1HG2 THR 32 1HG2 THR 32 -6.884 -9.362 9.625 52 2HG2 THR 32 2HG2 THR 32 -7.300 -10.727 8.581 53 3HG2 THR 32 3HG2 THR 32 -5.600 -10.444 9.032 54 H TYR 33 H TYR 33 -3.629 -9.140 5.546 55 HA TYR 33 HA TYR 33 -2.454 -11.731 6.406 56 1HB TYR 33 1HB TYR 33 -0.755 -11.266 4.499 57 2HB TYR 33 2HB TYR 33 -2.260 -12.194 4.295 58 HD1 TYR 33 1HD TYR 33 -1.144 -8.550 3.776 59 HD2 TYR 33 2HD TYR 33 -3.118 -12.051 2.227 60 HE1 TYR 33 1HE TYR 33 -1.806 -7.267 1.731 61 HE2 TYR 33 2HE TYR 33 -3.668 -10.851 0.204 62 HH TYR 33 HH TYR 33 -2.494 -7.579 -0.511 63 H ARG 34 H ARG 34 -0.786 -11.698 7.623 64 HA ARG 34 HA ARG 34 0.460 -9.244 8.546 65 1HB ARG 34 1HB ARG 34 0.050 -11.214 9.990 66 2HB ARG 34 2HB ARG 34 1.100 -12.202 8.952 67 1HG ARG 34 1HG ARG 34 2.248 -11.542 11.000 68 2HG ARG 34 2HG ARG 34 3.043 -10.823 9.594 69 1HD ARG 34 1HD ARG 34 1.963 -8.675 10.044 70 2HD ARG 34 2HD ARG 34 0.982 -9.384 11.330 71 HE ARG 34 HE ARG 34 3.967 -9.160 11.361 72 1HH1 ARG 34 2HH2 ARG 34 0.889 -9.288 13.285 73 2HH1 ARG 34 1HH2 ARG 34 1.675 -8.773 14.726 74 1HH2 ARG 34 2HH1 ARG 34 4.892 -8.376 13.332 75 2HH2 ARG 34 1HH1 ARG 34 3.922 -8.198 14.732 76 H VAL 35 H VAL 35 2.022 -8.187 7.373 77 HA VAL 35 HA VAL 35 4.326 -9.559 6.247 78 HB VAL 35 HB VAL 35 4.138 -8.484 4.065 79 1HG1 VAL 35 1HG1 VAL 35 3.005 -10.016 2.940 80 2HG1 VAL 35 2HG1 VAL 35 3.244 -10.828 4.468 81 3HG1 VAL 35 3HG1 VAL 35 1.655 -10.118 4.117 82 1HG2 VAL 35 1HG2 VAL 35 2.022 -7.544 3.200 83 2HG2 VAL 35 2HG2 VAL 35 1.242 -7.789 4.774 84 3HG2 VAL 35 3HG2 VAL 35 2.566 -6.621 4.617 85 H ASP 36 H ASP 36 5.760 -8.010 5.345 86 HA ASP 36 HA ASP 36 5.879 -5.639 7.144 87 1HB ASP 36 1HB ASP 36 8.021 -6.932 5.437 88 2HB ASP 36 2HB ASP 36 8.066 -5.385 6.325 89 HD2 ASP 36 HD ASP 36 9.525 -8.282 8.199 90 H ILE 37 H ILE 37 5.362 -3.774 6.094 91 HA ILE 37 HA ILE 37 4.575 -3.748 3.240 92 HB ILE 37 HB ILE 37 4.634 -1.601 5.382 93 1HG1 ILE 37 1HG1 ILE 37 2.036 -2.094 4.428 94 2HG1 ILE 37 2HG1 ILE 37 2.718 -3.723 4.528 95 1HG2 ILE 37 1HG2 ILE 37 4.954 -0.557 3.197 96 2HG2 ILE 37 2HG2 ILE 37 3.637 -1.537 2.498 97 3HG2 ILE 37 3HG2 ILE 37 3.294 -0.305 3.730 98 1HD1 ILE 37 1HD1 ILE 37 1.602 -3.251 6.600 99 2HD1 ILE 37 2HD1 ILE 37 3.337 -3.237 6.936 100 3HD1 ILE 37 3HD1 ILE 37 2.433 -1.705 6.774 101 H TYR 38 H TYR 38 6.345 -4.035 1.870 102 HA TYR 38 HA TYR 38 8.745 -2.362 2.367 103 1HB TYR 38 1HB TYR 38 8.344 -4.891 0.831 104 2HB TYR 38 2HB TYR 38 9.559 -3.698 0.306 105 HD1 TYR 38 1HD TYR 38 8.554 -5.688 3.359 106 HD2 TYR 38 2HD TYR 38 11.702 -3.768 1.127 107 HE1 TYR 38 1HE TYR 38 10.270 -6.579 4.953 108 HE2 TYR 38 2HE TYR 38 13.368 -4.558 2.741 109 HH TYR 38 HH TYR 38 13.535 -5.401 5.003 110 H LEU 39 H LEU 39 7.938 -0.443 1.714 111 HA LEU 39 HA LEU 39 6.512 -0.121 -0.864 112 1HB LEU 39 1HB LEU 39 5.837 1.222 1.150 113 2HB LEU 39 2HB LEU 39 7.499 1.862 1.234 114 HG LEU 39 HG LEU 39 7.065 2.633 -1.236 115 1HD1 LEU 39 1HD1 LEU 39 4.995 1.394 -1.639 116 2HD1 LEU 39 2HD1 LEU 39 4.216 2.220 -0.270 117 3HD1 LEU 39 3HD1 LEU 39 4.702 3.129 -1.705 118 1HD2 LEU 39 1HD2 LEU 39 5.532 3.992 0.972 119 2HD2 LEU 39 2HD2 LEU 39 7.288 4.139 0.717 120 3HD2 LEU 39 3HD2 LEU 39 6.187 4.711 -0.540 121 H ASN 40 H ASN 40 7.769 0.105 -2.690 122 HA ASN 40 HA ASN 40 9.574 0.537 -4.036 123 1HB ASN 40 1HB ASN 40 10.213 2.749 -2.060 124 2HB ASN 40 2HB ASN 40 10.698 2.633 -3.776 125 1HD2 ASN 40 1HD2 ASN 40 8.899 4.577 -2.035 126 2HD2 ASN 40 2HD2 ASN 40 7.643 4.860 -3.243 127 H ASN 41 H ASN 41 9.966 -1.537 -2.539 128 HA ASN 41 HA ASN 41 11.400 -3.003 -1.695 129 1HB ASN 41 1HB ASN 41 13.842 -1.456 -2.324 130 2HB ASN 41 2HB ASN 41 13.469 -3.162 -2.575 131 1HD2 ASN 41 1HD2 ASN 41 11.661 -3.499 -4.543 132 2HD2 ASN 41 2HD2 ASN 41 12.147 -2.487 -5.883 133 H GLY 42 H GLY 42 10.716 -0.396 0.057 134 1HA GLY 42 1HA GLY 42 12.953 -0.622 1.993 135 2HA GLY 42 2HA GLY 42 11.982 0.819 1.638 136 H TYR 43 H TYR 43 12.242 -1.868 3.602 137 HA TYR 43 HA TYR 43 9.654 -2.509 4.567 138 1HB TYR 43 1HB TYR 43 11.359 -3.730 5.475 139 2HB TYR 43 2HB TYR 43 12.487 -2.379 5.552 140 HD1 TYR 43 1HD TYR 43 12.662 -0.970 7.491 141 HD2 TYR 43 2HD TYR 43 9.634 -4.033 7.231 142 HE1 TYR 43 1HE TYR 43 12.236 -0.730 9.883 143 HE2 TYR 43 2HE TYR 43 9.144 -3.781 9.578 144 HH TYR 43 HH TYR 43 10.848 -1.243 11.589 145 H MET 44 H MET 44 8.173 -1.231 5.568 146 HA MET 44 HA MET 44 8.983 1.428 6.712 147 1HB MET 44 1HB MET 44 6.629 0.714 4.930 148 2HB MET 44 2HB MET 44 6.661 2.190 5.927 149 1HG MET 44 1HG MET 44 8.801 1.470 3.914 150 2HG MET 44 2HG MET 44 7.444 2.525 3.500 151 1HE MET 44 1HE MET 44 9.071 4.137 2.555 152 2HE MET 44 2HE MET 44 10.473 4.791 3.423 153 3HE MET 44 3HE MET 44 10.386 3.041 3.061 154 H ALA 45 H ALA 45 6.572 -1.280 6.868 155 HA ALA 45 HA ALA 45 6.272 -0.843 9.746 156 1HB ALA 45 1HB ALA 45 3.967 -0.523 7.798 157 2HB ALA 45 2HB ALA 45 3.781 -0.762 9.553 158 3HB ALA 45 3HB ALA 45 4.589 0.686 8.934 159 H THR 46 H THR 46 5.035 -2.617 10.726 160 HA THR 46 HA THR 46 4.912 -5.126 9.129 161 HB THR 46 HB THR 46 5.905 -4.756 11.989 162 HG1 THR 46 1HG THR 46 7.468 -5.609 9.792 163 1HG2 THR 46 1HG2 THR 46 5.823 -7.239 10.223 164 2HG2 THR 46 2HG2 THR 46 6.549 -7.126 11.845 165 3HG2 THR 46 3HG2 THR 46 4.804 -6.906 11.637 166 H ARG 47 H ARG 47 2.660 -5.480 9.046 167 HA ARG 47 HA ARG 47 1.342 -5.829 11.527 168 1HB ARG 47 1HB ARG 47 -0.621 -4.195 10.522 169 2HB ARG 47 2HB ARG 47 0.434 -3.874 11.922 170 1HG ARG 47 1HG ARG 47 1.771 -2.364 10.694 171 2HG ARG 47 2HG ARG 47 1.131 -2.901 9.127 172 1HD ARG 47 1HD ARG 47 0.141 -0.771 9.686 173 2HD ARG 47 2HD ARG 47 -1.112 -1.999 9.754 174 HE ARG 47 HE ARG 47 0.181 -0.580 12.046 175 1HH1 ARG 47 2HH2 ARG 47 -2.628 -2.596 10.989 176 2HH1 ARG 47 1HH2 ARG 47 -3.126 -2.833 12.628 177 1HH2 ARG 47 2HH1 ARG 47 -0.772 -0.585 13.983 178 2HH2 ARG 47 1HH1 ARG 47 -2.263 -1.427 14.325 179 H ASP 48 H ASP 48 -1.171 -6.075 10.851 180 HA ASP 48 HA ASP 48 -1.227 -8.001 8.621 181 1HB ASP 48 1HB ASP 48 -3.318 -8.712 9.380 182 2HB ASP 48 2HB ASP 48 -2.300 -8.596 10.832 183 HD2 ASP 48 HD ASP 48 -4.177 -5.887 12.056 184 H VAL 49 H VAL 49 -2.253 -7.417 6.764 185 HA VAL 49 HA VAL 49 -3.295 -4.637 6.487 186 HB VAL 49 HB VAL 49 -1.674 -6.213 4.447 187 1HG1 VAL 49 1HG1 VAL 49 -1.467 -4.034 3.340 188 2HG1 VAL 49 2HG1 VAL 49 -3.191 -4.441 3.558 189 3HG1 VAL 49 3HG1 VAL 49 -2.404 -3.246 4.622 190 1HG2 VAL 49 1HG2 VAL 49 0.154 -4.580 4.959 191 2HG2 VAL 49 2HG2 VAL 49 -0.769 -4.029 6.370 192 3HG2 VAL 49 3HG2 VAL 49 -0.150 -5.701 6.284 193 H THR 50 H THR 50 -5.449 -5.006 6.577 194 HA THR 50 HA THR 50 -6.746 -7.303 5.587 195 HB THR 50 HB THR 50 -7.938 -4.535 5.720 196 HG1 THR 50 1HG THR 50 -8.496 -5.604 7.949 197 1HG2 THR 50 1HG2 THR 50 -9.246 -6.449 4.750 198 2HG2 THR 50 2HG2 THR 50 -9.083 -7.308 6.296 199 3HG2 THR 50 3HG2 THR 50 -9.987 -5.773 6.195 200 H PHE 51 H PHE 51 -7.099 -7.984 3.348 201 HA PHE 51 HA PHE 51 -6.959 -5.905 1.356 202 1HB PHE 51 1HB PHE 51 -6.120 -7.797 -0.024 203 2HB PHE 51 2HB PHE 51 -5.056 -7.407 1.336 204 HD1 PHE 51 1HD PHE 51 -5.120 -8.969 3.406 205 HD2 PHE 51 2HD PHE 51 -7.009 -9.927 -0.301 206 HE1 PHE 51 1HE PHE 51 -5.086 -11.419 3.987 207 HE2 PHE 51 2HE PHE 51 -6.770 -12.350 0.206 208 HZ PHE 51 HZ PHE 51 -5.817 -13.091 2.352 209 H ASN 52 H ASN 52 -8.392 -6.223 -0.363 210 HA ASN 52 HA ASN 52 -10.830 -7.824 0.195 211 1HB ASN 52 1HB ASN 52 -11.806 -5.552 -0.951 212 2HB ASN 52 2HB ASN 52 -11.874 -5.924 0.773 213 1HD2 ASN 52 1HD2 ASN 52 -10.443 -4.865 2.229 214 2HD2 ASN 52 2HD2 ASN 52 -9.643 -3.379 1.758 215 H THR 53 H THR 53 -12.198 -8.008 -1.819 216 HA THR 53 HA THR 53 -10.671 -8.957 -3.954 217 HB THR 53 HB THR 53 -13.417 -8.073 -4.631 218 HG1 THR 53 1HG THR 53 -14.469 -9.371 -3.179 219 1HG2 THR 53 1HG2 THR 53 -12.132 -10.826 -4.219 220 2HG2 THR 53 2HG2 THR 53 -13.666 -10.511 -5.054 221 3HG2 THR 53 3HG2 THR 53 -12.153 -9.912 -5.744 222 H GLY 54 H GLY 54 -10.028 -7.978 -5.925 223 1HA GLY 54 1HA GLY 54 -10.875 -5.384 -6.757 224 2HA GLY 54 2HA GLY 54 -9.298 -5.313 -5.932 225 H ASP 55 H ASP 55 -8.816 -4.641 -8.389 226 HA ASP 55 HA ASP 55 -8.568 -7.089 -10.034 227 1HB ASP 55 1HB ASP 55 -9.810 -4.941 -10.825 228 2HB ASP 55 2HB ASP 55 -8.159 -4.351 -11.139 229 HD2 ASP 55 HD ASP 55 -8.257 -7.560 -13.274 230 H SER 56 H SER 56 -6.628 -8.003 -9.675 231 HA SER 56 HA SER 56 -4.353 -6.612 -10.581 232 1HB SER 56 1HB SER 56 -4.576 -7.202 -7.624 233 2HB SER 56 2HB SER 56 -2.997 -7.469 -8.420 234 HG SER 56 HG SER 56 -2.709 -5.498 -8.032 235 H GLU 57 H GLU 57 -2.362 -8.425 -10.142 236 HA GLU 57 HA GLU 57 -2.866 -10.756 -11.538 237 1HB GLU 57 1HB GLU 57 -0.863 -10.472 -9.262 238 2HB GLU 57 2HB GLU 57 -0.814 -11.636 -10.603 239 1HG GLU 57 1HG GLU 57 -0.927 -9.233 -11.938 240 2HG GLU 57 2HG GLU 57 -0.036 -8.764 -10.490 241 HE2 GLU 57 HE GLU 57 1.684 -11.478 -12.910 242 H GLN 58 H GLN 58 -2.682 -10.424 -7.980 243 HA GLN 58 HA GLN 58 -3.552 -13.045 -7.272 244 1HB GLN 58 1HB GLN 58 -3.722 -10.377 -5.848 245 2HB GLN 58 2HB GLN 58 -3.933 -11.956 -5.071 246 1HG GLN 58 1HG GLN 58 -1.652 -12.499 -5.271 247 2HG GLN 58 2HG GLN 58 -1.372 -11.281 -6.546 248 1HE2 GLN 58 1HE2 GLN 58 -3.093 -10.783 -3.413 249 2HE2 GLN 58 2HE2 GLN 58 -2.155 -9.359 -3.041 250 H GLY 59 H GLY 59 -5.411 -10.162 -8.170 251 1HA GLY 59 1HA GLY 59 -7.692 -9.909 -8.426 252 2HA GLY 59 2HA GLY 59 -7.959 -11.506 -7.734 253 H ILE 60 H ILE 60 -5.980 -9.263 -5.883 254 HA ILE 60 HA ILE 60 -8.170 -8.276 -4.225 255 HB ILE 60 HB ILE 60 -6.752 -9.067 -2.133 256 1HG1 ILE 60 1HG1 ILE 60 -6.041 -11.342 -4.036 257 2HG1 ILE 60 2HG1 ILE 60 -4.941 -9.954 -3.799 258 1HG2 ILE 60 1HG2 ILE 60 -8.043 -11.215 -2.023 259 2HG2 ILE 60 2HG2 ILE 60 -9.039 -9.845 -2.537 260 3HG2 ILE 60 3HG2 ILE 60 -8.480 -11.035 -3.719 261 1HD1 ILE 60 1HD1 ILE 60 -5.856 -11.885 -1.685 262 2HD1 ILE 60 2HD1 ILE 60 -4.232 -11.722 -2.362 263 3HD1 ILE 60 3HD1 ILE 60 -4.905 -10.389 -1.410 264 H VAL 61 H VAL 61 -7.463 -6.571 -2.804 265 HA VAL 61 HA VAL 61 -4.752 -5.528 -3.257 266 HB VAL 61 HB VAL 61 -5.759 -3.246 -3.557 267 1HG1 VAL 61 1HG1 VAL 61 -5.026 -4.597 -5.516 268 2HG1 VAL 61 2HG1 VAL 61 -6.679 -5.215 -5.699 269 3HG1 VAL 61 3HG1 VAL 61 -6.347 -3.489 -5.894 270 1HG2 VAL 61 1HG2 VAL 61 -8.129 -3.022 -4.216 271 2HG2 VAL 61 2HG2 VAL 61 -8.428 -4.730 -3.830 272 3HG2 VAL 61 3HG2 VAL 61 -7.989 -3.599 -2.550 273 HA PRO 62 HA PRO 62 -5.022 -4.834 1.190 274 1HB PRO 62 1HB PRO 62 -3.016 -3.088 1.569 275 2HB PRO 62 2HB PRO 62 -2.732 -4.789 1.085 276 1HG PRO 62 1HG PRO 62 -2.750 -2.329 -0.660 277 2HG PRO 62 2HG PRO 62 -1.567 -3.682 -0.640 278 1HD PRO 62 1HD PRO 62 -3.680 -3.485 -2.426 279 2HD PRO 62 2HD PRO 62 -3.028 -5.050 -1.884 280 H CYS 63 H CYS 63 -5.917 -3.419 2.561 281 HA CYS 63 HA CYS 63 -7.282 -0.953 1.618 282 1HB CYS 63 1HB CYS 63 -8.539 -2.478 3.015 283 2HB CYS 63 2HB CYS 63 -7.299 -2.427 4.281 284 HG CYS 63 HG CYS 63 -9.416 -1.139 5.091 285 H LEU 64 H LEU 64 -5.300 0.108 1.142 286 HA LEU 64 HA LEU 64 -3.553 0.866 3.413 287 1HB LEU 64 1HB LEU 64 -3.586 1.955 0.573 288 2HB LEU 64 2HB LEU 64 -2.359 2.218 1.839 289 HG LEU 64 HG LEU 64 -2.987 -0.581 0.912 290 1HD1 LEU 64 1HD1 LEU 64 -1.050 1.251 -0.563 291 2HD1 LEU 64 2HD1 LEU 64 -1.295 -0.478 -0.868 292 3HD1 LEU 64 3HD1 LEU 64 -2.601 0.643 -1.192 293 1HD2 LEU 64 1HD2 LEU 64 -0.414 0.705 1.904 294 2HD2 LEU 64 2HD2 LEU 64 -1.536 -0.272 2.871 295 3HD2 LEU 64 3HD2 LEU 64 -0.669 -1.018 1.534 296 H THR 65 H THR 65 -4.144 2.555 4.710 297 HA THR 65 HA THR 65 -6.413 4.235 3.880 298 HB THR 65 HB THR 65 -6.798 4.579 6.219 299 HG1 THR 65 1HG THR 65 -5.451 4.032 7.730 300 1HG2 THR 65 1HG2 THR 65 -7.201 2.175 6.929 301 2HG2 THR 65 2HG2 THR 65 -7.582 2.364 5.208 302 3HG2 THR 65 3HG2 THR 65 -6.076 1.596 5.716 303 H ARG 66 H ARG 66 -6.272 6.666 4.729 304 HA ARG 66 HA ARG 66 -3.872 7.641 3.644 305 1HB ARG 66 1HB ARG 66 -6.285 8.737 4.261 306 2HB ARG 66 2HB ARG 66 -5.334 9.355 5.625 307 1HG ARG 66 1HG ARG 66 -3.601 10.162 4.030 308 2HG ARG 66 2HG ARG 66 -4.551 9.512 2.669 309 1HD ARG 66 1HD ARG 66 -5.165 11.737 2.636 310 2HD ARG 66 2HD ARG 66 -6.446 10.980 3.600 311 HE ARG 66 HE ARG 66 -4.133 12.593 4.606 312 1HH1 ARG 66 2HH2 ARG 66 -7.414 11.318 5.301 313 2HH1 ARG 66 1HH2 ARG 66 -7.331 11.746 6.970 314 1HH2 ARG 66 2HH1 ARG 66 -4.017 13.112 6.698 315 2HH2 ARG 66 1HH1 ARG 66 -5.343 12.836 7.790 316 H ALA 67 H ALA 67 -4.713 6.889 6.986 317 HA ALA 67 HA ALA 67 -2.318 7.945 8.094 318 1HB ALA 67 1HB ALA 67 -2.461 6.155 9.847 319 2HB ALA 67 2HB ALA 67 -3.924 7.158 9.691 320 3HB ALA 67 3HB ALA 67 -3.882 5.499 9.013 321 H GLN 68 H GLN 68 -2.971 4.532 7.005 322 HA GLN 68 HA GLN 68 -0.453 3.455 7.435 323 1HB GLN 68 1HB GLN 68 -2.521 2.953 5.272 324 2HB GLN 68 2HB GLN 68 -1.093 1.933 5.449 325 1HG GLN 68 1HG GLN 68 -2.701 2.323 7.924 326 2HG GLN 68 2HG GLN 68 -3.510 1.473 6.579 327 1HE2 GLN 68 1HE2 GLN 68 -3.473 -0.698 7.253 328 2HE2 GLN 68 2HE2 GLN 68 -1.996 -1.548 7.640 329 H LEU 69 H LEU 69 -1.547 5.362 4.554 330 HA LEU 69 HA LEU 69 0.947 4.899 3.156 331 1HB LEU 69 1HB LEU 69 -1.238 6.960 2.745 332 2HB LEU 69 2HB LEU 69 0.089 6.565 1.627 333 HG LEU 69 HG LEU 69 -1.968 4.583 2.539 334 1HD1 LEU 69 1HD1 LEU 69 -1.872 6.155 -0.077 335 2HD1 LEU 69 2HD1 LEU 69 -3.074 4.914 0.365 336 3HD1 LEU 69 3HD1 LEU 69 -3.007 6.445 1.253 337 1HD2 LEU 69 1HD2 LEU 69 -1.188 3.411 0.399 338 2HD2 LEU 69 2HD2 LEU 69 0.234 4.472 0.469 339 3HD2 LEU 69 3HD2 LEU 69 -0.169 3.351 1.812 340 H ALA 70 H ALA 70 -0.404 7.645 5.063 341 HA ALA 70 HA ALA 70 1.828 9.377 4.667 342 1HB ALA 70 1HB ALA 70 1.021 10.475 6.789 343 2HB ALA 70 2HB ALA 70 -0.299 10.209 5.653 344 3HB ALA 70 3HB ALA 70 -0.103 9.135 7.049 345 H SER 71 H SER 71 1.350 6.490 6.614 346 HA SER 71 HA SER 71 3.389 6.948 8.582 347 1HB SER 71 1HB SER 71 2.150 4.420 7.473 348 2HB SER 71 2HB SER 71 3.360 4.418 8.780 349 HG SER 71 HG SER 71 1.386 6.211 9.284 350 H MET 72 H MET 72 3.618 6.264 5.193 351 HA MET 72 HA MET 72 6.388 5.192 5.386 352 1HB MET 72 1HB MET 72 5.003 5.506 2.786 353 2HB MET 72 2HB MET 72 6.104 4.245 3.343 354 1HG MET 72 1HG MET 72 4.008 3.649 4.901 355 2HG MET 72 2HG MET 72 3.173 4.566 3.610 356 1HE MET 72 1HE MET 72 2.643 3.763 1.350 357 2HE MET 72 2HE MET 72 2.249 2.027 1.238 358 3HE MET 72 3HE MET 72 1.701 2.971 2.638 359 H GLY 73 H GLY 73 4.851 8.247 5.158 360 1HA GLY 73 1HA GLY 73 5.840 10.281 4.619 361 2HA GLY 73 2HA GLY 73 7.209 9.468 3.859 362 H LEU 74 H LEU 74 3.892 8.359 3.132 363 HA LEU 74 HA LEU 74 3.929 9.085 0.408 364 1HB LEU 74 1HB LEU 74 2.397 7.440 1.251 365 2HB LEU 74 2HB LEU 74 1.601 8.653 2.275 366 HG LEU 74 HG LEU 74 0.445 7.855 0.126 367 1HD1 LEU 74 1HD1 LEU 74 -0.233 10.420 -0.219 368 2HD1 LEU 74 2HD1 LEU 74 -0.746 9.367 1.104 369 3HD1 LEU 74 3HD1 LEU 74 0.555 10.489 1.397 370 1HD2 LEU 74 1HD2 LEU 74 2.413 8.273 -1.395 371 2HD2 LEU 74 2HD2 LEU 74 0.767 8.654 -1.918 372 3HD2 LEU 74 3HD2 LEU 74 1.823 9.959 -1.423 373 H ASN 75 H ASN 75 3.105 10.955 -0.534 374 HA ASN 75 HA ASN 75 2.574 13.382 1.124 375 1HB ASN 75 1HB ASN 75 4.320 13.433 -0.703 376 2HB ASN 75 2HB ASN 75 3.024 13.200 -1.886 377 1HD2 ASN 75 1HD2 ASN 75 4.606 15.569 -2.032 378 2HD2 ASN 75 2HD2 ASN 75 3.604 16.878 -1.472 379 H THR 76 H THR 76 0.195 13.190 1.692 380 HA THR 76 HA THR 76 -1.655 12.341 -0.240 381 HB THR 76 HB THR 76 -3.331 13.379 1.244 382 HG1 THR 76 1HG THR 76 -1.221 14.856 2.181 383 1HG2 THR 76 1HG2 THR 76 -2.712 12.093 3.292 384 2HG2 THR 76 2HG2 THR 76 -2.463 11.160 1.796 385 3HG2 THR 76 3HG2 THR 76 -1.093 11.873 2.664 386 H ALA 77 H ALA 77 -0.052 15.465 0.064 387 HA ALA 77 HA ALA 77 -2.083 16.959 -1.333 388 1HB ALA 77 1HB ALA 77 0.835 17.688 -0.839 389 2HB ALA 77 2HB ALA 77 -0.510 18.767 -1.219 390 3HB ALA 77 3HB ALA 77 -0.477 17.937 0.340 391 H SER 78 H SER 78 0.579 14.848 -2.448 392 HA SER 78 HA SER 78 0.891 16.209 -4.986 393 1HB SER 78 1HB SER 78 2.034 14.171 -5.690 394 2HB SER 78 2HB SER 78 2.644 14.697 -4.115 395 HG SER 78 HG SER 78 1.726 12.365 -4.742 396 H VAL 79 H VAL 79 -1.672 14.271 -3.628 397 HA VAL 79 HA VAL 79 -2.536 13.354 -6.268 398 HB VAL 79 HB VAL 79 -3.611 12.438 -3.616 399 1HG1 VAL 79 1HG1 VAL 79 -3.918 10.351 -4.882 400 2HG1 VAL 79 2HG1 VAL 79 -4.702 11.697 -5.717 401 3HG1 VAL 79 3HG1 VAL 79 -3.147 11.065 -6.300 402 1HG2 VAL 79 1HG2 VAL 79 -1.815 10.534 -3.836 403 2HG2 VAL 79 2HG2 VAL 79 -0.934 11.756 -4.768 404 3HG2 VAL 79 3HG2 VAL 79 -1.329 12.073 -3.089 405 H ALA 80 H ALA 80 -4.207 14.267 -7.167 406 HA ALA 80 HA ALA 80 -5.715 16.420 -5.993 407 1HB ALA 80 1HB ALA 80 -5.964 14.908 -8.624 408 2HB ALA 80 2HB ALA 80 -6.684 16.485 -8.234 409 3HB ALA 80 3HB ALA 80 -4.929 16.337 -8.343 410 H GLY 81 H GLY 81 -6.189 14.307 -4.303 411 1HA GLY 81 1HA GLY 81 -8.887 13.912 -3.944 412 2HA GLY 81 2HA GLY 81 -8.517 12.743 -5.202 413 H MET 82 H MET 82 -6.025 13.333 -2.680 414 HA MET 82 HA MET 82 -6.766 10.664 -1.543 415 1HB MET 82 1HB MET 82 -4.490 10.859 -2.422 416 2HB MET 82 2HB MET 82 -4.143 12.151 -1.263 417 1HG MET 82 1HG MET 82 -4.440 10.707 0.598 418 2HG MET 82 2HG MET 82 -5.229 9.455 -0.374 419 1HE MET 82 1HE MET 82 -2.557 7.609 -2.192 420 2HE MET 82 2HE MET 82 -4.262 8.121 -2.023 421 3HE MET 82 3HE MET 82 -3.142 9.110 -2.953 422 H ASN 83 H ASN 83 -6.113 14.010 -0.649 423 HA ASN 83 HA ASN 83 -5.951 13.861 2.109 424 1HB ASN 83 1HB ASN 83 -7.220 16.164 0.598 425 2HB ASN 83 2HB ASN 83 -6.252 16.230 2.086 426 1HD2 ASN 83 1HD2 ASN 83 -6.174 16.015 -1.448 427 2HD2 ASN 83 2HD2 ASN 83 -4.408 15.782 -1.558 428 H LEU 84 H LEU 84 -8.646 12.833 0.537 429 HA LEU 84 HA LEU 84 -10.586 13.973 2.441 430 1HB LEU 84 1HB LEU 84 -12.234 13.591 0.492 431 2HB LEU 84 2HB LEU 84 -11.336 15.102 0.699 432 HG LEU 84 HG LEU 84 -11.511 14.401 -1.623 433 1HD1 LEU 84 1HD1 LEU 84 -9.414 15.504 -0.458 434 2HD1 LEU 84 2HD1 LEU 84 -8.623 14.112 -1.219 435 3HD1 LEU 84 3HD1 LEU 84 -9.557 15.233 -2.214 436 1HD2 LEU 84 1HD2 LEU 84 -10.492 12.467 -2.549 437 2HD2 LEU 84 2HD2 LEU 84 -9.804 11.996 -0.985 438 3HD2 LEU 84 3HD2 LEU 84 -11.562 11.947 -1.247 439 H LEU 85 H LEU 85 -8.919 11.310 1.675 440 HA LEU 85 HA LEU 85 -10.964 9.253 2.245 441 1HB LEU 85 1HB LEU 85 -7.955 9.329 1.804 442 2HB LEU 85 2HB LEU 85 -8.764 7.898 2.481 443 HG LEU 85 HG LEU 85 -8.177 7.804 0.089 444 1HD1 LEU 85 1HD1 LEU 85 -9.916 6.336 1.110 445 2HD1 LEU 85 2HD1 LEU 85 -11.156 7.539 0.692 446 3HD1 LEU 85 3HD1 LEU 85 -10.281 6.683 -0.584 447 1HD2 LEU 85 1HD2 LEU 85 -8.635 10.003 -0.681 448 2HD2 LEU 85 2HD2 LEU 85 -9.362 8.749 -1.671 449 3HD2 LEU 85 3HD2 LEU 85 -10.395 9.684 -0.562 450 H ALA 86 H ALA 86 -10.926 8.248 4.325 451 HA ALA 86 HA ALA 86 -9.987 9.905 6.518 452 1HB ALA 86 1HB ALA 86 -11.021 8.196 7.926 453 2HB ALA 86 2HB ALA 86 -12.133 8.697 6.656 454 3HB ALA 86 3HB ALA 86 -11.265 7.143 6.517 455 H ASP 87 H ASP 87 -8.842 8.893 8.299 456 HA ASP 87 HA ASP 87 -6.318 7.677 7.546 457 1HB ASP 87 1HB ASP 87 -7.672 8.339 10.194 458 2HB ASP 87 2HB ASP 87 -6.070 7.575 10.081 459 HD2 ASP 87 HD ASP 87 -6.220 11.451 9.781 460 H ASP 88 H ASP 88 -9.459 6.302 8.053 461 HA ASP 88 HA ASP 88 -8.305 3.827 7.434 462 1HB ASP 88 1HB ASP 88 -10.098 2.695 8.749 463 2HB ASP 88 2HB ASP 88 -8.598 3.178 9.511 464 HD2 ASP 88 HD ASP 88 -10.366 5.323 11.686 465 H ALA 89 H ALA 89 -8.868 4.579 5.377 466 HA ALA 89 HA ALA 89 -11.480 3.502 4.756 467 1HB ALA 89 1HB ALA 89 -10.515 6.236 3.856 468 2HB ALA 89 2HB ALA 89 -11.895 5.371 3.114 469 3HB ALA 89 3HB ALA 89 -11.955 5.856 4.838 470 H CYS 90 H CYS 90 -11.422 2.642 2.570 471 HA CYS 90 HA CYS 90 -8.798 1.692 1.785 472 1HB CYS 90 1HB CYS 90 -11.450 1.537 0.313 473 2HB CYS 90 2HB CYS 90 -9.990 0.590 -0.060 474 HG CYS 90 HG CYS 90 -11.826 -0.972 0.950 475 H VAL 91 H VAL 91 -7.530 3.509 1.268 476 HA VAL 91 HA VAL 91 -8.254 5.543 -0.612 477 HB VAL 91 HB VAL 91 -5.523 4.400 0.120 478 1HG1 VAL 91 1HG1 VAL 91 -5.325 5.745 -1.843 479 2HG1 VAL 91 2HG1 VAL 91 -6.294 7.055 -1.124 480 3HG1 VAL 91 3HG1 VAL 91 -4.690 6.655 -0.473 481 1HG2 VAL 91 1HG2 VAL 91 -5.271 5.994 1.826 482 2HG2 VAL 91 2HG2 VAL 91 -6.686 6.928 1.350 483 3HG2 VAL 91 3HG2 VAL 91 -6.888 5.352 2.115 484 HA PRO 92 HA PRO 92 -7.755 2.715 -4.170 485 1HB PRO 92 1HB PRO 92 -8.333 4.347 -6.236 486 2HB PRO 92 2HB PRO 92 -9.585 3.820 -5.086 487 1HG PRO 92 1HG PRO 92 -7.995 6.403 -5.064 488 2HG PRO 92 2HG PRO 92 -9.770 6.191 -4.947 489 1HD PRO 92 1HD PRO 92 -8.112 6.515 -2.749 490 2HD PRO 92 2HD PRO 92 -9.610 5.551 -2.682 491 H LEU 93 H LEU 93 -5.486 3.221 -3.037 492 HA LEU 93 HA LEU 93 -3.800 5.231 -3.949 493 1HB LEU 93 1HB LEU 93 -3.456 4.039 -1.897 494 2HB LEU 93 2HB LEU 93 -3.239 2.498 -2.728 495 HG LEU 93 HG LEU 93 -1.231 3.658 -1.720 496 1HD1 LEU 93 1HD1 LEU 93 -0.921 2.777 -4.574 497 2HD1 LEU 93 2HD1 LEU 93 0.331 2.832 -3.313 498 3HD1 LEU 93 3HD1 LEU 93 -1.018 1.725 -3.138 499 1HD2 LEU 93 1HD2 LEU 93 -1.860 5.783 -3.603 500 2HD2 LEU 93 2HD2 LEU 93 -0.778 5.757 -2.226 501 3HD2 LEU 93 3HD2 LEU 93 -0.231 5.179 -3.817 502 H THR 94 H THR 94 -4.335 1.945 -5.231 503 HA THR 94 HA THR 94 -2.194 2.233 -7.208 504 HB THR 94 HB THR 94 -3.176 -0.123 -7.792 505 HG1 THR 94 1HG THR 94 -4.007 -0.519 -5.284 506 1HG2 THR 94 1HG2 THR 94 -1.987 -1.128 -5.889 507 2HG2 THR 94 2HG2 THR 94 -1.082 0.254 -6.540 508 3HG2 THR 94 3HG2 THR 94 -1.998 0.417 -5.022 509 H THR 95 H THR 95 -5.427 3.473 -7.168 510 HA THR 95 HA THR 95 -5.382 3.439 -10.154 511 HB THR 95 HB THR 95 -7.691 3.775 -8.231 512 HG1 THR 95 1HG THR 95 -7.200 1.618 -9.984 513 1HG2 THR 95 1HG2 THR 95 -7.633 3.578 -11.264 514 2HG2 THR 95 2HG2 THR 95 -9.082 3.295 -10.270 515 3HG2 THR 95 3HG2 THR 95 -8.312 4.882 -10.269 516 H MET 96 H MET 96 -4.794 5.405 -7.393 517 HA MET 96 HA MET 96 -5.326 7.913 -8.940 518 1HB MET 96 1HB MET 96 -5.410 9.030 -6.876 519 2HB MET 96 2HB MET 96 -6.224 7.436 -6.677 520 1HG MET 96 1HG MET 96 -4.072 6.620 -5.714 521 2HG MET 96 2HG MET 96 -3.790 8.316 -5.366 522 1HE MET 96 1HE MET 96 -7.152 9.012 -3.204 523 2HE MET 96 2HE MET 96 -5.701 9.818 -3.846 524 3HE MET 96 3HE MET 96 -6.949 9.214 -4.956 525 H VAL 97 H VAL 97 -2.820 5.852 -7.957 526 HA VAL 97 HA VAL 97 -0.915 8.025 -8.349 527 HB VAL 97 HB VAL 97 -0.545 5.679 -6.452 528 1HG1 VAL 97 1HG1 VAL 97 1.248 8.011 -7.155 529 2HG1 VAL 97 2HG1 VAL 97 1.452 6.968 -5.724 530 3HG1 VAL 97 3HG1 VAL 97 1.557 6.291 -7.358 531 1HG2 VAL 97 1HG2 VAL 97 -2.102 7.053 -5.425 532 2HG2 VAL 97 2HG2 VAL 97 -0.579 7.633 -4.741 533 3HG2 VAL 97 3HG2 VAL 97 -1.415 8.553 -6.020 534 H GLN 98 H GLN 98 -0.491 7.654 -10.514 535 HA GLN 98 HA GLN 98 -0.331 5.046 -11.639 536 1HB GLN 98 1HB GLN 98 -0.670 7.411 -12.765 537 2HB GLN 98 2HB GLN 98 1.104 7.494 -12.773 538 1HG GLN 98 1HG GLN 98 0.550 6.640 -14.891 539 2HG GLN 98 2HG GLN 98 1.048 5.211 -13.992 540 1HE2 GLN 98 1HE2 GLN 98 -0.733 3.695 -13.202 541 2HE2 GLN 98 2HE2 GLN 98 -2.357 3.922 -13.815 542 H ASP 99 H ASP 99 1.370 3.631 -11.682 543 HA ASP 99 HA ASP 99 3.527 2.837 -11.772 544 1HB ASP 99 1HB ASP 99 4.542 5.121 -12.003 545 2HB ASP 99 2HB ASP 99 4.556 5.225 -10.232 546 HD2 ASP 99 HD ASP 99 7.004 2.453 -11.766 547 H ALA 100 H ALA 100 1.610 3.863 -9.086 548 HA ALA 100 HA ALA 100 3.027 2.251 -7.083 549 1HB ALA 100 1HB ALA 100 0.106 3.124 -7.189 550 2HB ALA 100 2HB ALA 100 0.988 2.473 -5.796 551 3HB ALA 100 3HB ALA 100 1.426 4.063 -6.440 552 H THR 101 H THR 101 2.203 0.311 -6.290 553 HA THR 101 HA THR 101 0.247 -1.262 -7.758 554 HB THR 101 HB THR 101 1.721 -3.295 -7.934 555 HG1 THR 101 1HG THR 101 3.880 -3.096 -7.925 556 1HG2 THR 101 1HG2 THR 101 2.688 -1.050 -9.696 557 2HG2 THR 101 2HG2 THR 101 2.688 -2.787 -10.071 558 3HG2 THR 101 3HG2 THR 101 1.147 -1.913 -9.929 559 H ALA 102 H ALA 102 -0.445 -3.129 -6.482 560 HA ALA 102 HA ALA 102 0.944 -3.490 -3.917 561 1HB ALA 102 1HB ALA 102 -1.187 -3.982 -2.866 562 2HB ALA 102 2HB ALA 102 -1.144 -2.310 -3.469 563 3HB ALA 102 3HB ALA 102 -2.056 -3.557 -4.359 564 H HIS 103 H HIS 103 2.101 -5.198 -4.266 565 HA HIS 103 HA HIS 103 0.729 -7.755 -5.097 566 1HB HIS 103 1HB HIS 103 2.292 -7.588 -6.732 567 2HB HIS 103 2HB HIS 103 3.436 -6.675 -5.735 568 HD1 HIS 103 1HD HIS 103 5.443 -8.193 -6.459 569 HD2 HIS 103 2HD HIS 103 2.314 -10.249 -4.519 570 HE1 HIS 103 1HE HIS 103 6.404 -10.381 -5.643 571 HE2 HIS 103 2HE HIS 103 4.496 -11.694 -4.517 572 H LEU 104 H LEU 104 0.532 -9.128 -3.403 573 HA LEU 104 HA LEU 104 1.986 -8.649 -0.835 574 1HB LEU 104 1HB LEU 104 -0.179 -8.671 -0.296 575 2HB LEU 104 2HB LEU 104 -0.673 -9.757 -1.576 576 HG LEU 104 HG LEU 104 -0.702 -10.356 0.924 577 1HD1 LEU 104 1HD1 LEU 104 -1.473 -11.735 -0.978 578 2HD1 LEU 104 2HD1 LEU 104 0.074 -12.592 -0.891 579 3HD1 LEU 104 3HD1 LEU 104 -1.072 -12.579 0.478 580 1HD2 LEU 104 1HD2 LEU 104 0.935 -11.411 2.035 581 2HD2 LEU 104 2HD2 LEU 104 2.013 -11.397 0.644 582 3HD2 LEU 104 3HD2 LEU 104 1.544 -9.873 1.404 583 H ASP 105 H ASP 105 3.893 -9.678 -0.919 584 HA ASP 105 HA ASP 105 4.271 -12.159 -2.395 585 1HB ASP 105 1HB ASP 105 5.968 -10.256 -2.258 586 2HB ASP 105 2HB ASP 105 6.222 -10.713 -0.570 587 HD2 ASP 105 HD ASP 105 7.287 -13.959 -2.152 588 H VAL 106 H VAL 106 2.594 -13.383 -0.976 589 HA VAL 106 HA VAL 106 2.924 -13.766 1.819 590 HB VAL 106 HB VAL 106 1.028 -14.360 0.294 591 1HG1 VAL 106 1HG1 VAL 106 2.533 -16.894 -0.407 592 2HG1 VAL 106 2HG1 VAL 106 0.865 -16.486 -0.826 593 3HG1 VAL 106 3HG1 VAL 106 2.191 -15.563 -1.533 594 1HG2 VAL 106 1HG2 VAL 106 0.293 -16.155 1.661 595 2HG2 VAL 106 2HG2 VAL 106 1.979 -16.607 2.032 596 3HG2 VAL 106 3HG2 VAL 106 1.352 -15.084 2.635 597 H GLY 107 H GLY 107 4.747 -15.080 -0.951 598 1HA GLY 107 1HA GLY 107 5.770 -17.314 0.389 599 2HA GLY 107 2HA GLY 107 6.545 -16.507 -1.005 600 H GLN 108 H GLN 108 6.926 -13.922 0.141 601 HA GLN 108 HA GLN 108 9.114 -14.439 2.085 602 1HB GLN 108 1HB GLN 108 8.194 -12.171 0.315 603 2HB GLN 108 2HB GLN 108 9.344 -11.856 1.634 604 1HG GLN 108 1HG GLN 108 10.311 -12.274 -0.671 605 2HG GLN 108 2HG GLN 108 10.992 -13.122 0.729 606 1HE2 GLN 108 1HE2 GLN 108 8.838 -13.537 -2.132 607 2HE2 GLN 108 2HE2 GLN 108 9.226 -15.232 -2.353 608 H GLN 109 H GLN 109 5.855 -13.425 2.190 609 HA GLN 109 HA GLN 109 4.567 -12.206 3.440 610 1HB GLN 109 1HB GLN 109 6.387 -12.827 5.790 611 2HB GLN 109 2HB GLN 109 4.760 -12.083 5.866 612 1HG GLN 109 1HG GLN 109 4.037 -14.087 4.367 613 2HG GLN 109 2HG GLN 109 5.533 -14.841 4.935 614 1HE2 GLN 109 1HE2 GLN 109 2.350 -13.910 5.658 615 2HE2 GLN 109 2HE2 GLN 109 2.250 -14.376 7.335 616 H ARG 110 H ARG 110 5.931 -11.010 1.776 617 HA ARG 110 HA ARG 110 6.656 -8.395 3.059 618 1HB ARG 110 1HB ARG 110 8.630 -9.384 2.236 619 2HB ARG 110 2HB ARG 110 7.892 -9.817 0.705 620 1HG ARG 110 1HG ARG 110 7.713 -6.938 1.255 621 2HG ARG 110 2HG ARG 110 9.384 -7.500 1.333 622 1HD ARG 110 1HD ARG 110 8.128 -8.699 -0.955 623 2HD ARG 110 2HD ARG 110 7.711 -6.993 -0.955 624 HE ARG 110 HE ARG 110 10.323 -8.281 -1.279 625 1HH1 ARG 110 2HH2 ARG 110 8.570 -5.187 -1.195 626 2HH1 ARG 110 1HH2 ARG 110 9.468 -4.462 -2.475 627 1HH2 ARG 110 2HH1 ARG 110 11.866 -7.153 -2.531 628 2HH2 ARG 110 1HH1 ARG 110 11.347 -5.703 -3.333 629 H LEU 111 H LEU 111 5.408 -6.659 2.467 630 HA LEU 111 HA LEU 111 3.399 -7.091 0.369 631 1HB LEU 111 1HB LEU 111 3.268 -5.539 2.582 632 2HB LEU 111 2HB LEU 111 3.879 -4.343 1.433 633 HG LEU 111 HG LEU 111 1.356 -5.908 1.188 634 1HD1 LEU 111 1HD1 LEU 111 1.002 -4.396 2.876 635 2HD1 LEU 111 2HD1 LEU 111 1.638 -3.046 1.943 636 3HD1 LEU 111 3HD1 LEU 111 0.111 -3.839 1.463 637 1HD2 LEU 111 1HD2 LEU 111 1.612 -5.967 -0.856 638 2HD2 LEU 111 2HD2 LEU 111 0.742 -4.475 -0.698 639 3HD2 LEU 111 3HD2 LEU 111 2.543 -4.461 -0.959 640 H ASN 112 H ASN 112 4.368 -7.045 -1.671 641 HA ASN 112 HA ASN 112 6.851 -5.573 -2.274 642 1HB ASN 112 1HB ASN 112 5.471 -7.887 -3.307 643 2HB ASN 112 2HB ASN 112 5.588 -6.682 -4.608 644 1HD2 ASN 112 1HD2 ASN 112 7.199 -9.319 -3.346 645 2HD2 ASN 112 2HD2 ASN 112 8.800 -8.890 -3.839 646 H LEU 113 H LEU 113 5.711 -3.663 -1.440 647 HA LEU 113 HA LEU 113 3.433 -2.728 -2.928 648 1HB LEU 113 1HB LEU 113 4.564 -2.418 -0.352 649 2HB LEU 113 2HB LEU 113 4.529 -0.802 -1.030 650 HG LEU 113 HG LEU 113 2.451 -2.377 0.124 651 1HD1 LEU 113 1HD1 LEU 113 1.306 -0.358 0.295 652 2HD1 LEU 113 2HD1 LEU 113 3.030 -0.087 0.632 653 3HD1 LEU 113 3HD1 LEU 113 2.359 0.403 -0.974 654 1HD2 LEU 113 1HD2 LEU 113 0.514 -1.890 -1.197 655 2HD2 LEU 113 2HD2 LEU 113 1.512 -1.168 -2.482 656 3HD2 LEU 113 3HD2 LEU 113 1.592 -2.905 -2.119 657 H THR 114 H THR 114 3.604 -0.282 -4.017 658 HA THR 114 HA THR 114 6.287 0.866 -4.097 659 HB THR 114 HB THR 114 4.829 -0.326 -6.478 660 HG1 THR 114 1HG THR 114 6.663 -1.268 -5.248 661 1HG2 THR 114 1HG2 THR 114 6.272 0.912 -8.000 662 2HG2 THR 114 2HG2 THR 114 5.241 2.009 -7.101 663 3HG2 THR 114 3HG2 THR 114 6.942 1.849 -6.622 664 H ILE 115 H ILE 115 6.234 3.075 -4.630 665 HA ILE 115 HA ILE 115 3.956 4.409 -5.742 666 HB ILE 115 HB ILE 115 4.910 5.005 -2.903 667 1HG1 ILE 115 1HG1 ILE 115 2.215 4.583 -4.248 668 2HG1 ILE 115 2HG1 ILE 115 2.965 3.571 -2.991 669 1HG2 ILE 115 1HG2 ILE 115 3.838 7.173 -2.918 670 2HG2 ILE 115 2HG2 ILE 115 5.054 7.145 -4.146 671 3HG2 ILE 115 3HG2 ILE 115 3.344 6.953 -4.606 672 1HD1 ILE 115 1HD1 ILE 115 1.291 4.718 -1.899 673 2HD1 ILE 115 2HD1 ILE 115 2.789 5.556 -1.448 674 3HD1 ILE 115 3HD1 ILE 115 1.725 6.285 -2.672 675 HA PRO 116 HA PRO 116 7.549 6.120 -7.608 676 1HB PRO 116 1HB PRO 116 6.491 8.225 -8.984 677 2HB PRO 116 2HB PRO 116 6.238 6.539 -9.472 678 1HG PRO 116 1HG PRO 116 4.445 8.271 -7.748 679 2HG PRO 116 2HG PRO 116 3.982 7.341 -9.193 680 1HD PRO 116 1HD PRO 116 3.615 6.365 -6.689 681 2HD PRO 116 2HD PRO 116 4.159 5.255 -7.960 682 H GLN 117 H GLN 117 8.934 7.934 -7.493 683 HA GLN 117 HA GLN 117 9.111 9.243 -5.037 684 1HB GLN 117 1HB GLN 117 10.377 9.836 -7.735 685 2HB GLN 117 2HB GLN 117 10.782 10.800 -6.291 686 1HG GLN 117 1HG GLN 117 11.183 7.800 -6.536 687 2HG GLN 117 2HG GLN 117 12.441 9.044 -6.759 688 1HE2 GLN 117 1HE2 GLN 117 10.364 7.400 -4.408 689 2HE2 GLN 117 2HE2 GLN 117 11.026 8.131 -2.958 690 H ALA 118 H ALA 118 7.222 10.405 -7.775 691 HA ALA 118 HA ALA 118 7.158 13.139 -6.821 692 1HB ALA 118 1HB ALA 118 5.235 11.677 -8.660 693 2HB ALA 118 2HB ALA 118 5.349 13.432 -8.432 694 3HB ALA 118 3HB ALA 118 6.701 12.549 -9.168 695 H PHE 119 H PHE 119 5.648 10.222 -5.447 696 HA PHE 119 HA PHE 119 3.671 11.986 -4.097 697 1HB PHE 119 1HB PHE 119 3.625 9.069 -4.920 698 2HB PHE 119 2HB PHE 119 2.398 9.820 -3.910 699 HD1 PHE 119 1HD PHE 119 3.986 10.360 -7.331 700 HD2 PHE 119 2HD PHE 119 0.412 10.164 -4.977 701 HE1 PHE 119 1HE PHE 119 2.666 10.612 -9.356 702 HE2 PHE 119 2HE PHE 119 -0.951 10.540 -7.055 703 HZ PHE 119 HZ PHE 119 0.189 10.679 -9.255 704 H MET 120 H MET 120 6.452 11.725 -3.375 705 HA MET 120 HA MET 120 6.124 10.409 -0.726 706 1HB MET 120 1HB MET 120 8.637 10.502 -2.435 707 2HB MET 120 2HB MET 120 8.486 9.796 -0.815 708 1HG MET 120 1HG MET 120 7.136 8.837 -3.357 709 2HG MET 120 2HG MET 120 8.523 8.077 -2.563 710 1HE MET 120 1HE MET 120 7.277 8.342 0.637 711 2HE MET 120 2HE MET 120 6.913 6.624 0.734 712 3HE MET 120 3HE MET 120 8.405 7.149 -0.064 713 H SER 121 H SER 121 7.250 11.638 0.987 714 HA SER 121 HA SER 121 7.334 14.452 0.397 715 1HB SER 121 1HB SER 121 7.986 14.521 2.856 716 2HB SER 121 2HB SER 121 6.399 13.890 2.327 717 HG SER 121 HG SER 121 7.132 12.490 3.844 718 H ASN 122 H ASN 122 8.992 14.063 -1.281 719 HA ASN 122 HA ASN 122 10.954 14.555 -2.204 720 1HB ASN 122 1HB ASN 122 11.318 15.814 0.503 721 2HB ASN 122 2HB ASN 122 12.641 15.830 -0.690 722 1HD2 ASN 122 1HD2 ASN 122 11.628 18.260 0.174 723 2HD2 ASN 122 2HD2 ASN 122 10.680 18.982 -1.101 724 H ARG 123 H ARG 123 11.701 13.249 1.021 725 HA ARG 123 HA ARG 123 13.238 11.101 -0.352 726 1HB ARG 123 1HB ARG 123 13.882 12.627 2.145 727 2HB ARG 123 2HB ARG 123 14.166 10.872 2.197 728 1HG ARG 123 1HG ARG 123 15.258 12.720 0.048 729 2HG ARG 123 2HG ARG 123 16.146 12.217 1.500 730 1HD ARG 123 1HD ARG 123 16.730 10.263 0.508 731 2HD ARG 123 2HD ARG 123 15.037 9.876 0.142 732 HE ARG 123 HE ARG 123 15.225 10.911 -1.962 733 1HH1 ARG 123 2HH2 ARG 123 18.347 11.023 -0.245 734 2HH1 ARG 123 1HH2 ARG 123 19.244 11.452 -1.650 735 1HH2 ARG 123 2HH1 ARG 123 16.318 11.545 -3.740 736 2HH2 ARG 123 1HH1 ARG 123 18.016 11.882 -3.738 737 H ALA 124 H ALA 124 11.006 11.908 2.366 738 HA ALA 124 HA ALA 124 9.628 10.684 3.609 739 1HB ALA 124 1HB ALA 124 9.739 8.637 1.350 740 2HB ALA 124 2HB ALA 124 8.690 8.540 2.705 741 3HB ALA 124 3HB ALA 124 8.534 9.931 1.604 742 H ARG 125 H ARG 125 12.740 9.597 3.113 743 HA ARG 125 HA ARG 125 12.707 7.779 5.374 744 1HB ARG 125 1HB ARG 125 13.785 5.929 3.855 745 2HB ARG 125 2HB ARG 125 12.019 6.083 4.107 746 1HG ARG 125 1HG ARG 125 12.539 5.504 1.815 747 2HG ARG 125 2HG ARG 125 11.756 7.081 1.903 748 1HD ARG 125 1HD ARG 125 13.563 7.114 0.251 749 2HD ARG 125 2HD ARG 125 14.006 8.158 1.623 750 HE ARG 125 HE ARG 125 15.638 6.778 2.241 751 1HH1 ARG 125 2HH2 ARG 125 13.800 5.108 -0.275 752 2HH1 ARG 125 1HH2 ARG 125 14.685 3.614 -0.168 753 1HH2 ARG 125 2HH1 ARG 125 16.792 4.842 2.445 754 2HH2 ARG 125 1HH1 ARG 125 16.374 3.437 1.535 Start of MODEL 11 1 1H GLY 25 H GLY 25 -5.792 -9.726 -11.932 2 1HA GLY 25 1HA GLY 25 -6.514 -11.664 -13.208 3 2HA GLY 25 2HA GLY 25 -5.226 -12.589 -12.401 4 H GLN 26 H GLN 26 -6.521 -14.106 -11.315 5 HA GLN 26 HA GLN 26 -7.686 -13.080 -8.908 6 1HB GLN 26 1HB GLN 26 -9.605 -12.772 -10.375 7 2HB GLN 26 2HB GLN 26 -9.544 -14.470 -10.878 8 1HG GLN 26 1HG GLN 26 -11.313 -13.978 -9.201 9 2HG GLN 26 2HG GLN 26 -10.164 -15.206 -8.660 10 1HE2 GLN 26 1HE2 GLN 26 -8.449 -14.460 -7.138 11 2HE2 GLN 26 2HE2 GLN 26 -8.763 -13.183 -5.997 12 H GLU 27 H GLU 27 -6.317 -14.268 -7.722 13 HA GLU 27 HA GLU 27 -6.571 -17.188 -7.700 14 1HB GLU 27 1HB GLU 27 -4.032 -17.281 -7.856 15 2HB GLU 27 2HB GLU 27 -4.908 -16.810 -9.345 16 1HG GLU 27 1HG GLU 27 -4.394 -14.424 -8.821 17 2HG GLU 27 2HG GLU 27 -3.369 -14.970 -7.499 18 HE2 GLU 27 HE GLU 27 -0.804 -15.353 -9.867 19 H LEU 28 H LEU 28 -7.038 -14.799 -5.935 20 HA LEU 28 HA LEU 28 -6.494 -16.260 -3.468 21 1HB LEU 28 1HB LEU 28 -5.470 -13.446 -3.952 22 2HB LEU 28 2HB LEU 28 -5.816 -14.066 -2.318 23 HG LEU 28 HG LEU 28 -3.717 -15.103 -4.259 24 1HD1 LEU 28 1HD1 LEU 28 -3.490 -13.717 -1.565 25 2HD1 LEU 28 2HD1 LEU 28 -2.164 -14.210 -2.626 26 3HD1 LEU 28 3HD1 LEU 28 -3.272 -12.935 -3.152 27 1HD2 LEU 28 1HD2 LEU 28 -4.487 -17.015 -2.925 28 2HD2 LEU 28 2HD2 LEU 28 -2.922 -16.482 -2.320 29 3HD2 LEU 28 3HD2 LEU 28 -4.406 -16.058 -1.427 30 HA PRO 29 HA PRO 29 -10.596 -14.304 -2.784 31 1HB PRO 29 1HB PRO 29 -11.162 -15.376 -0.363 32 2HB PRO 29 2HB PRO 29 -11.149 -16.396 -1.832 33 1HG PRO 29 1HG PRO 29 -8.956 -16.060 0.224 34 2HG PRO 29 2HG PRO 29 -9.587 -17.589 -0.476 35 1HD PRO 29 1HD PRO 29 -7.318 -16.281 -1.375 36 2HD PRO 29 2HD PRO 29 -8.336 -17.267 -2.446 37 HA PRO 30 HA PRO 30 -9.233 -11.027 -0.014 38 1HB PRO 30 1HB PRO 30 -11.459 -9.840 0.901 39 2HB PRO 30 2HB PRO 30 -10.944 -9.765 -0.811 40 1HG PRO 30 1HG PRO 30 -12.972 -11.622 0.445 41 2HG PRO 30 2HG PRO 30 -13.117 -10.675 -1.082 42 1HD PRO 30 1HD PRO 30 -12.385 -13.349 -0.986 43 2HD PRO 30 2HD PRO 30 -11.823 -12.220 -2.250 44 H GLY 31 H GLY 31 -9.406 -10.257 2.454 45 1HA GLY 31 1HA GLY 31 -10.038 -11.928 4.578 46 2HA GLY 31 2HA GLY 31 -8.650 -12.665 3.755 47 H THR 32 H THR 32 -7.298 -12.212 5.599 48 HA THR 32 HA THR 32 -5.971 -9.691 5.142 49 HB THR 32 HB THR 32 -7.333 -9.222 7.154 50 HG1 THR 32 1HG THR 32 -5.688 -8.239 8.197 51 1HG2 THR 32 1HG2 THR 32 -6.715 -10.155 9.303 52 2HG2 THR 32 2HG2 THR 32 -7.307 -11.412 8.232 53 3HG2 THR 32 3HG2 THR 32 -5.554 -11.257 8.551 54 H TYR 33 H TYR 33 -3.716 -9.898 6.308 55 HA TYR 33 HA TYR 33 -2.542 -12.569 6.125 56 1HB TYR 33 1HB TYR 33 -0.756 -11.753 4.639 57 2HB TYR 33 2HB TYR 33 -2.317 -11.856 3.829 58 HD1 TYR 33 1HD TYR 33 -2.819 -10.116 2.393 59 HD2 TYR 33 2HD TYR 33 -0.145 -9.158 5.575 60 HE1 TYR 33 1HE TYR 33 -2.562 -7.897 1.445 61 HE2 TYR 33 2HE TYR 33 0.269 -6.987 4.381 62 HH TYR 33 HH TYR 33 -0.954 -6.301 1.196 63 H ARG 34 H ARG 34 -0.046 -12.110 6.620 64 HA ARG 34 HA ARG 34 0.358 -9.755 8.404 65 1HB ARG 34 1HB ARG 34 -0.262 -11.810 9.746 66 2HB ARG 34 2HB ARG 34 1.191 -12.599 9.124 67 1HG ARG 34 1HG ARG 34 1.029 -10.142 10.900 68 2HG ARG 34 2HG ARG 34 1.594 -11.771 11.338 69 1HD ARG 34 1HD ARG 34 3.372 -11.359 9.483 70 2HD ARG 34 2HD ARG 34 2.960 -9.650 9.659 71 HE ARG 34 HE ARG 34 4.903 -10.581 10.914 72 1HH1 ARG 34 2HH2 ARG 34 1.752 -10.270 12.743 73 2HH1 ARG 34 1HH2 ARG 34 2.567 -9.839 14.180 74 1HH2 ARG 34 2HH1 ARG 34 5.826 -10.137 12.892 75 2HH2 ARG 34 1HH1 ARG 34 4.862 -9.862 14.310 76 H VAL 35 H VAL 35 2.084 -8.663 7.353 77 HA VAL 35 HA VAL 35 4.394 -10.187 6.379 78 HB VAL 35 HB VAL 35 4.114 -9.415 4.075 79 1HG1 VAL 35 1HG1 VAL 35 2.887 -11.534 4.505 80 2HG1 VAL 35 2HG1 VAL 35 1.412 -10.600 4.841 81 3HG1 VAL 35 3HG1 VAL 35 2.112 -10.535 3.275 82 1HG2 VAL 35 1HG2 VAL 35 1.861 -7.816 5.228 83 2HG2 VAL 35 2HG2 VAL 35 3.208 -7.287 4.233 84 3HG2 VAL 35 3HG2 VAL 35 1.943 -8.262 3.473 85 H ASP 36 H ASP 36 5.734 -8.371 5.021 86 HA ASP 36 HA ASP 36 5.805 -6.004 6.844 87 1HB ASP 36 1HB ASP 36 8.180 -6.721 5.255 88 2HB ASP 36 2HB ASP 36 8.024 -5.975 6.855 89 HD2 ASP 36 HD ASP 36 7.845 -9.533 8.072 90 H ILE 37 H ILE 37 5.244 -4.123 5.827 91 HA ILE 37 HA ILE 37 4.615 -4.001 2.980 92 HB ILE 37 HB ILE 37 4.779 -1.862 5.160 93 1HG1 ILE 37 1HG1 ILE 37 2.158 -2.116 4.085 94 2HG1 ILE 37 2HG1 ILE 37 2.707 -3.770 4.403 95 1HG2 ILE 37 1HG2 ILE 37 3.879 -1.499 2.249 96 2HG2 ILE 37 2HG2 ILE 37 3.606 -0.322 3.570 97 3HG2 ILE 37 3HG2 ILE 37 5.229 -0.699 3.078 98 1HD1 ILE 37 1HD1 ILE 37 3.140 -3.221 6.744 99 2HD1 ILE 37 2HD1 ILE 37 2.675 -1.521 6.446 100 3HD1 ILE 37 3HD1 ILE 37 1.477 -2.827 6.304 101 H TYR 38 H TYR 38 6.235 -3.690 1.436 102 HA TYR 38 HA TYR 38 8.893 -2.682 2.388 103 1HB TYR 38 1HB TYR 38 8.108 -5.166 1.088 104 2HB TYR 38 2HB TYR 38 9.274 -4.288 0.090 105 HD1 TYR 38 1HD TYR 38 11.549 -4.241 0.608 106 HD2 TYR 38 2HD TYR 38 8.734 -5.677 3.494 107 HE1 TYR 38 1HE TYR 38 13.424 -4.749 2.117 108 HE2 TYR 38 2HE TYR 38 10.618 -6.323 5.013 109 HH TYR 38 HH TYR 38 14.025 -5.463 4.199 110 H LEU 39 H LEU 39 8.323 -0.501 1.877 111 HA LEU 39 HA LEU 39 7.143 0.008 -0.754 112 1HB LEU 39 1HB LEU 39 6.402 1.356 1.171 113 2HB LEU 39 2HB LEU 39 8.070 1.950 1.376 114 HG LEU 39 HG LEU 39 7.921 2.859 -1.019 115 1HD1 LEU 39 1HD1 LEU 39 5.946 1.473 -1.735 116 2HD1 LEU 39 2HD1 LEU 39 4.952 2.384 -0.561 117 3HD1 LEU 39 3HD1 LEU 39 5.718 3.201 -1.939 118 1HD2 LEU 39 1HD2 LEU 39 7.736 4.304 0.916 119 2HD2 LEU 39 2HD2 LEU 39 6.667 4.820 -0.397 120 3HD2 LEU 39 3HD2 LEU 39 5.990 3.979 1.020 121 H ASN 40 H ASN 40 8.338 0.429 -2.519 122 HA ASN 40 HA ASN 40 10.135 0.514 -3.864 123 1HB ASN 40 1HB ASN 40 10.930 2.787 -1.982 124 2HB ASN 40 2HB ASN 40 11.690 2.459 -3.564 125 1HD2 ASN 40 1HD2 ASN 40 9.842 4.791 -2.309 126 2HD2 ASN 40 2HD2 ASN 40 8.758 5.043 -3.662 127 H ASN 41 H ASN 41 10.196 -1.497 -2.140 128 HA ASN 41 HA ASN 41 11.386 -3.154 -1.336 129 1HB ASN 41 1HB ASN 41 13.020 -1.926 -3.356 130 2HB ASN 41 2HB ASN 41 14.068 -2.708 -2.171 131 1HD2 ASN 41 1HD2 ASN 41 10.974 -3.288 -3.929 132 2HD2 ASN 41 2HD2 ASN 41 11.343 -4.919 -4.369 133 H GLY 42 H GLY 42 11.313 -0.652 0.424 134 1HA GLY 42 1HA GLY 42 13.881 -0.906 1.835 135 2HA GLY 42 2HA GLY 42 12.849 0.494 1.717 136 H TYR 43 H TYR 43 10.837 -1.978 2.712 137 HA TYR 43 HA TYR 43 9.705 -2.448 4.591 138 1HB TYR 43 1HB TYR 43 11.623 -3.615 5.320 139 2HB TYR 43 2HB TYR 43 12.377 -2.123 5.918 140 HD1 TYR 43 1HD TYR 43 8.778 -2.750 6.752 141 HD2 TYR 43 2HD TYR 43 12.874 -3.301 7.972 142 HE1 TYR 43 1HE TYR 43 8.074 -2.976 9.093 143 HE2 TYR 43 2HE TYR 43 12.136 -3.638 10.313 144 HH TYR 43 HH TYR 43 10.285 -3.695 11.765 145 H MET 44 H MET 44 8.144 -1.107 5.115 146 HA MET 44 HA MET 44 8.786 1.500 6.470 147 1HB MET 44 1HB MET 44 6.192 0.614 5.184 148 2HB MET 44 2HB MET 44 6.476 2.189 5.938 149 1HG MET 44 1HG MET 44 8.146 1.221 3.623 150 2HG MET 44 2HG MET 44 6.529 1.942 3.379 151 1HE MET 44 1HE MET 44 9.276 3.442 6.037 152 2HE MET 44 2HE MET 44 10.171 2.596 4.750 153 3HE MET 44 3HE MET 44 10.187 4.375 4.857 154 H ALA 45 H ALA 45 6.499 -1.296 6.734 155 HA ALA 45 HA ALA 45 6.525 -1.133 9.627 156 1HB ALA 45 1HB ALA 45 4.850 0.597 9.135 157 2HB ALA 45 2HB ALA 45 3.990 -0.514 8.042 158 3HB ALA 45 3HB ALA 45 4.063 -0.846 9.788 159 H THR 46 H THR 46 5.456 -2.992 10.510 160 HA THR 46 HA THR 46 4.903 -5.229 8.619 161 HB THR 46 HB THR 46 6.480 -5.262 11.233 162 HG1 THR 46 1HG THR 46 8.181 -5.812 9.859 163 1HG2 THR 46 1HG2 THR 46 6.845 -7.655 10.653 164 2HG2 THR 46 2HG2 THR 46 5.144 -7.320 11.012 165 3HG2 THR 46 3HG2 THR 46 5.683 -7.515 9.335 166 H ARG 47 H ARG 47 2.862 -6.003 8.894 167 HA ARG 47 HA ARG 47 1.541 -6.168 11.405 168 1HB ARG 47 1HB ARG 47 -0.321 -4.465 10.463 169 2HB ARG 47 2HB ARG 47 0.940 -3.997 11.628 170 1HG ARG 47 1HG ARG 47 1.954 -2.588 10.188 171 2HG ARG 47 2HG ARG 47 1.586 -3.552 8.745 172 1HD ARG 47 1HD ARG 47 0.409 -1.403 8.735 173 2HD ARG 47 2HD ARG 47 -0.697 -2.777 8.720 174 HE ARG 47 HE ARG 47 -0.069 -1.026 11.088 175 1HH1 ARG 47 2HH2 ARG 47 -2.573 -2.766 9.185 176 2HH1 ARG 47 1HH2 ARG 47 -3.779 -2.556 10.373 177 1HH2 ARG 47 2HH1 ARG 47 -1.690 -0.766 12.661 178 2HH2 ARG 47 1HH1 ARG 47 -3.302 -1.255 12.363 179 H ASP 48 H ASP 48 -0.960 -6.352 10.882 180 HA ASP 48 HA ASP 48 -1.128 -8.228 8.646 181 1HB ASP 48 1HB ASP 48 -3.113 -7.652 10.880 182 2HB ASP 48 2HB ASP 48 -3.407 -8.771 9.534 183 HD2 ASP 48 HD ASP 48 -2.026 -11.307 11.442 184 H VAL 49 H VAL 49 -2.470 -7.630 6.769 185 HA VAL 49 HA VAL 49 -3.300 -4.790 6.798 186 HB VAL 49 HB VAL 49 -1.907 -6.274 4.765 187 1HG1 VAL 49 1HG1 VAL 49 -2.424 -3.347 4.802 188 2HG1 VAL 49 2HG1 VAL 49 -1.374 -4.225 3.647 189 3HG1 VAL 49 3HG1 VAL 49 -3.106 -4.637 3.750 190 1HG2 VAL 49 1HG2 VAL 49 -0.703 -4.295 6.721 191 2HG2 VAL 49 2HG2 VAL 49 -0.258 -6.026 6.500 192 3HG2 VAL 49 3HG2 VAL 49 0.139 -4.864 5.253 193 H THR 50 H THR 50 -5.544 -5.464 7.103 194 HA THR 50 HA THR 50 -6.732 -7.593 5.714 195 HB THR 50 HB THR 50 -8.066 -5.023 6.651 196 HG1 THR 50 1HG THR 50 -7.558 -5.626 8.529 197 1HG2 THR 50 1HG2 THR 50 -10.003 -6.464 7.068 198 2HG2 THR 50 2HG2 THR 50 -9.544 -6.550 5.352 199 3HG2 THR 50 3HG2 THR 50 -9.112 -7.884 6.455 200 H PHE 51 H PHE 51 -7.003 -7.874 3.562 201 HA PHE 51 HA PHE 51 -6.954 -5.506 1.805 202 1HB PHE 51 1HB PHE 51 -6.771 -7.391 0.049 203 2HB PHE 51 2HB PHE 51 -5.351 -7.034 1.048 204 HD1 PHE 51 1HD PHE 51 -4.664 -8.534 2.862 205 HD2 PHE 51 2HD PHE 51 -7.820 -9.518 0.155 206 HE1 PHE 51 1HE PHE 51 -4.416 -10.948 3.448 207 HE2 PHE 51 2HE PHE 51 -7.540 -11.958 0.822 208 HZ PHE 51 HZ PHE 51 -5.868 -12.641 2.437 209 H ASN 52 H ASN 52 -8.406 -5.719 -0.088 210 HA ASN 52 HA ASN 52 -11.036 -6.960 0.511 211 1HB ASN 52 1HB ASN 52 -10.520 -4.146 -0.534 212 2HB ASN 52 2HB ASN 52 -12.077 -5.004 -0.715 213 1HD2 ASN 52 1HD2 ASN 52 -10.421 -5.450 2.327 214 2HD2 ASN 52 2HD2 ASN 52 -11.442 -4.361 3.258 215 H THR 53 H THR 53 -12.224 -7.156 -1.747 216 HA THR 53 HA THR 53 -10.569 -8.344 -3.696 217 HB THR 53 HB THR 53 -13.102 -7.085 -4.600 218 HG1 THR 53 1HG THR 53 -14.448 -8.096 -3.278 219 1HG2 THR 53 1HG2 THR 53 -11.933 -9.049 -5.694 220 2HG2 THR 53 2HG2 THR 53 -12.347 -10.017 -4.261 221 3HG2 THR 53 3HG2 THR 53 -13.627 -9.349 -5.289 222 H GLY 54 H GLY 54 -9.565 -7.423 -5.592 223 1HA GLY 54 1HA GLY 54 -10.257 -4.810 -6.508 224 2HA GLY 54 2HA GLY 54 -8.692 -4.802 -5.670 225 H ASP 55 H ASP 55 -9.328 -4.465 -8.574 226 HA ASP 55 HA ASP 55 -8.581 -6.938 -9.895 227 1HB ASP 55 1HB ASP 55 -10.032 -4.821 -10.646 228 2HB ASP 55 2HB ASP 55 -8.454 -4.226 -11.204 229 HD2 ASP 55 HD ASP 55 -9.839 -5.960 -14.001 230 H SER 56 H SER 56 -6.484 -7.488 -9.102 231 HA SER 56 HA SER 56 -4.464 -6.132 -10.537 232 1HB SER 56 1HB SER 56 -4.182 -6.262 -7.487 233 2HB SER 56 2HB SER 56 -2.869 -5.815 -8.609 234 HG SER 56 HG SER 56 -5.169 -4.459 -9.077 235 H GLU 57 H GLU 57 -2.210 -7.576 -9.639 236 HA GLU 57 HA GLU 57 -2.401 -9.788 -11.096 237 1HB GLU 57 1HB GLU 57 -0.615 -9.699 -8.661 238 2HB GLU 57 2HB GLU 57 -0.386 -10.630 -10.164 239 1HG GLU 57 1HG GLU 57 -0.488 -8.239 -11.286 240 2HG GLU 57 2HG GLU 57 -0.084 -7.664 -9.658 241 HE2 GLU 57 HE GLU 57 3.137 -9.147 -9.875 242 H GLN 58 H GLN 58 -2.686 -9.961 -7.531 243 HA GLN 58 HA GLN 58 -3.321 -12.789 -7.678 244 1HB GLN 58 1HB GLN 58 -3.595 -11.318 -5.115 245 2HB GLN 58 2HB GLN 58 -2.962 -12.946 -5.471 246 1HG GLN 58 1HG GLN 58 -1.049 -11.914 -4.779 247 2HG GLN 58 2HG GLN 58 -0.903 -11.560 -6.487 248 1HE2 GLN 58 1HE2 GLN 58 -1.748 -10.295 -3.310 249 2HE2 GLN 58 2HE2 GLN 58 -1.863 -8.583 -3.732 250 H GLY 59 H GLY 59 -5.259 -9.931 -7.780 251 1HA GLY 59 1HA GLY 59 -7.586 -9.947 -8.158 252 2HA GLY 59 2HA GLY 59 -7.719 -11.496 -7.334 253 H ILE 60 H ILE 60 -5.841 -9.093 -5.689 254 HA ILE 60 HA ILE 60 -8.045 -8.099 -4.025 255 HB ILE 60 HB ILE 60 -6.797 -8.816 -1.916 256 1HG1 ILE 60 1HG1 ILE 60 -5.591 -10.931 -3.742 257 2HG1 ILE 60 2HG1 ILE 60 -4.675 -9.549 -3.106 258 1HG2 ILE 60 1HG2 ILE 60 -7.957 -10.928 -1.766 259 2HG2 ILE 60 2HG2 ILE 60 -8.953 -9.829 -2.728 260 3HG2 ILE 60 3HG2 ILE 60 -7.984 -11.104 -3.518 261 1HD1 ILE 60 1HD1 ILE 60 -4.206 -11.456 -1.729 262 2HD1 ILE 60 2HD1 ILE 60 -5.178 -10.338 -0.792 263 3HD1 ILE 60 3HD1 ILE 60 -5.924 -11.809 -1.483 264 H VAL 61 H VAL 61 -7.400 -6.268 -2.653 265 HA VAL 61 HA VAL 61 -4.590 -5.492 -2.919 266 HB VAL 61 HB VAL 61 -4.999 -3.212 -3.371 267 1HG1 VAL 61 1HG1 VAL 61 -6.411 -4.849 -5.513 268 2HG1 VAL 61 2HG1 VAL 61 -5.730 -3.254 -5.721 269 3HG1 VAL 61 3HG1 VAL 61 -4.672 -4.609 -5.359 270 1HG2 VAL 61 1HG2 VAL 61 -7.978 -3.838 -3.664 271 2HG2 VAL 61 2HG2 VAL 61 -7.249 -2.869 -2.368 272 3HG2 VAL 61 3HG2 VAL 61 -7.175 -2.272 -4.056 273 HA PRO 62 HA PRO 62 -4.951 -4.975 1.469 274 1HB PRO 62 1HB PRO 62 -3.001 -3.138 1.930 275 2HB PRO 62 2HB PRO 62 -2.753 -4.880 1.591 276 1HG PRO 62 1HG PRO 62 -2.519 -2.580 -0.307 277 2HG PRO 62 2HG PRO 62 -1.406 -3.961 -0.101 278 1HD PRO 62 1HD PRO 62 -3.266 -3.878 -2.081 279 2HD PRO 62 2HD PRO 62 -2.907 -5.414 -1.259 280 H CYS 63 H CYS 63 -5.569 -3.525 3.110 281 HA CYS 63 HA CYS 63 -7.049 -1.083 2.291 282 1HB CYS 63 1HB CYS 63 -8.048 -2.532 4.006 283 2HB CYS 63 2HB CYS 63 -6.627 -2.311 5.042 284 HG CYS 63 HG CYS 63 -8.625 -0.934 5.992 285 H LEU 64 H LEU 64 -5.779 0.701 2.079 286 HA LEU 64 HA LEU 64 -3.531 1.133 3.937 287 1HB LEU 64 1HB LEU 64 -3.536 1.819 0.969 288 2HB LEU 64 2HB LEU 64 -2.288 2.267 2.151 289 HG LEU 64 HG LEU 64 -2.976 -0.618 1.473 290 1HD1 LEU 64 1HD1 LEU 64 -2.219 0.489 -0.597 291 2HD1 LEU 64 2HD1 LEU 64 -0.761 1.070 0.239 292 3HD1 LEU 64 3HD1 LEU 64 -1.035 -0.671 -0.018 293 1HD2 LEU 64 1HD2 LEU 64 -1.783 -0.330 3.595 294 2HD2 LEU 64 2HD2 LEU 64 -0.724 -1.080 2.396 295 3HD2 LEU 64 3HD2 LEU 64 -0.535 0.646 2.789 296 H THR 65 H THR 65 -4.057 2.972 5.028 297 HA THR 65 HA THR 65 -6.448 4.409 4.127 298 HB THR 65 HB THR 65 -6.879 4.807 6.378 299 HG1 THR 65 1HG THR 65 -5.463 4.781 7.919 300 1HG2 THR 65 1HG2 THR 65 -7.283 2.415 5.860 301 2HG2 THR 65 2HG2 THR 65 -5.635 1.996 6.338 302 3HG2 THR 65 3HG2 THR 65 -6.772 2.607 7.534 303 H ARG 66 H ARG 66 -6.575 6.828 4.792 304 HA ARG 66 HA ARG 66 -4.459 8.250 3.594 305 1HB ARG 66 1HB ARG 66 -6.922 8.825 5.036 306 2HB ARG 66 2HB ARG 66 -5.681 9.941 5.587 307 1HG ARG 66 1HG ARG 66 -6.119 9.379 2.632 308 2HG ARG 66 2HG ARG 66 -7.178 10.517 3.447 309 1HD ARG 66 1HD ARG 66 -4.158 10.645 3.319 310 2HD ARG 66 2HD ARG 66 -5.206 11.614 2.311 311 HE ARG 66 HE ARG 66 -4.187 12.309 4.748 312 1HH1 ARG 66 2HH2 ARG 66 -7.710 12.054 4.164 313 2HH1 ARG 66 1HH2 ARG 66 -7.987 13.639 4.710 314 1HH2 ARG 66 2HH1 ARG 66 -4.649 14.243 5.604 315 2HH2 ARG 66 1HH1 ARG 66 -6.206 14.923 5.681 316 H ALA 67 H ALA 67 -4.951 7.405 6.940 317 HA ALA 67 HA ALA 67 -2.632 8.717 8.021 318 1HB ALA 67 1HB ALA 67 -2.639 7.068 9.832 319 2HB ALA 67 2HB ALA 67 -4.258 7.758 9.595 320 3HB ALA 67 3HB ALA 67 -3.894 6.122 9.013 321 H GLN 68 H GLN 68 -3.029 5.260 7.037 322 HA GLN 68 HA GLN 68 -0.431 4.413 7.549 323 1HB GLN 68 1HB GLN 68 -2.402 3.579 5.407 324 2HB GLN 68 2HB GLN 68 -0.928 2.680 5.727 325 1HG GLN 68 1HG GLN 68 -2.740 3.216 8.060 326 2HG GLN 68 2HG GLN 68 -3.326 2.107 6.776 327 1HE2 GLN 68 1HE2 GLN 68 -3.335 0.647 8.790 328 2HE2 GLN 68 2HE2 GLN 68 -1.882 -0.331 8.918 329 H LEU 69 H LEU 69 -1.716 5.753 4.492 330 HA LEU 69 HA LEU 69 0.702 5.409 2.990 331 1HB LEU 69 1HB LEU 69 -1.588 7.377 2.603 332 2HB LEU 69 2HB LEU 69 -0.344 6.963 1.396 333 HG LEU 69 HG LEU 69 -2.189 4.911 2.607 334 1HD1 LEU 69 1HD1 LEU 69 -2.516 6.442 -0.009 335 2HD1 LEU 69 2HD1 LEU 69 -3.524 5.083 0.533 336 3HD1 LEU 69 3HD1 LEU 69 -3.542 6.609 1.437 337 1HD2 LEU 69 1HD2 LEU 69 -1.633 3.702 0.425 338 2HD2 LEU 69 2HD2 LEU 69 -0.336 4.904 0.231 339 3HD2 LEU 69 3HD2 LEU 69 -0.352 3.821 1.639 340 H ALA 70 H ALA 70 -0.706 8.317 4.622 341 HA ALA 70 HA ALA 70 1.546 9.996 4.138 342 1HB ALA 70 1HB ALA 70 -0.518 10.060 6.376 343 2HB ALA 70 2HB ALA 70 0.613 11.370 5.977 344 3HB ALA 70 3HB ALA 70 -0.638 10.888 4.809 345 H SER 71 H SER 71 0.993 7.395 6.471 346 HA SER 71 HA SER 71 3.100 8.200 8.278 347 1HB SER 71 1HB SER 71 1.622 5.590 7.940 348 2HB SER 71 2HB SER 71 2.853 5.911 9.198 349 HG SER 71 HG SER 71 1.383 6.830 10.291 350 H MET 72 H MET 72 3.028 6.238 5.265 351 HA MET 72 HA MET 72 5.801 5.343 5.487 352 1HB MET 72 1HB MET 72 4.561 5.871 2.834 353 2HB MET 72 2HB MET 72 5.684 4.612 3.296 354 1HG MET 72 1HG MET 72 3.487 3.958 4.805 355 2HG MET 72 2HG MET 72 2.796 4.882 3.410 356 1HE MET 72 1HE MET 72 1.519 3.375 2.624 357 2HE MET 72 2HE MET 72 1.703 1.623 2.289 358 3HE MET 72 3HE MET 72 1.776 2.252 3.970 359 H GLY 73 H GLY 73 4.150 8.331 4.811 360 1HA GLY 73 1HA GLY 73 5.295 10.434 4.589 361 2HA GLY 73 2HA GLY 73 6.612 9.636 3.740 362 H LEU 74 H LEU 74 3.491 8.421 2.692 363 HA LEU 74 HA LEU 74 3.863 9.276 0.106 364 1HB LEU 74 1HB LEU 74 2.325 7.593 0.315 365 2HB LEU 74 2HB LEU 74 1.337 8.504 1.475 366 HG LEU 74 HG LEU 74 1.541 9.958 -1.070 367 1HD1 LEU 74 1HD1 LEU 74 0.468 7.207 -1.386 368 2HD1 LEU 74 2HD1 LEU 74 0.239 8.606 -2.489 369 3HD1 LEU 74 3HD1 LEU 74 1.871 7.991 -2.183 370 1HD2 LEU 74 1HD2 LEU 74 -0.788 10.130 -0.858 371 2HD2 LEU 74 2HD2 LEU 74 -0.878 8.752 0.248 372 3HD2 LEU 74 3HD2 LEU 74 -0.124 10.259 0.788 373 H ASN 75 H ASN 75 3.244 11.267 -0.976 374 HA ASN 75 HA ASN 75 2.274 13.516 0.698 375 1HB ASN 75 1HB ASN 75 3.995 13.874 -1.138 376 2HB ASN 75 2HB ASN 75 2.722 13.541 -2.306 377 1HD2 ASN 75 1HD2 ASN 75 3.465 15.972 -2.791 378 2HD2 ASN 75 2HD2 ASN 75 2.741 17.208 -1.767 379 H THR 76 H THR 76 0.022 13.192 1.174 380 HA THR 76 HA THR 76 -1.843 12.073 -0.640 381 HB THR 76 HB THR 76 -3.499 12.957 0.898 382 HG1 THR 76 1HG THR 76 -2.732 15.024 1.184 383 1HG2 THR 76 1HG2 THR 76 -2.611 12.173 3.061 384 2HG2 THR 76 2HG2 THR 76 -2.247 11.051 1.730 385 3HG2 THR 76 3HG2 THR 76 -0.989 12.102 2.418 386 H ALA 77 H ALA 77 -0.439 15.370 -0.411 387 HA ALA 77 HA ALA 77 -2.526 16.617 -1.948 388 1HB ALA 77 1HB ALA 77 -0.990 17.789 -0.315 389 2HB ALA 77 2HB ALA 77 0.307 17.598 -1.525 390 3HB ALA 77 3HB ALA 77 -1.126 18.560 -1.909 391 H SER 78 H SER 78 0.318 14.719 -2.866 392 HA SER 78 HA SER 78 0.457 15.758 -5.561 393 1HB SER 78 1HB SER 78 1.402 13.150 -4.334 394 2HB SER 78 2HB SER 78 1.768 13.709 -5.988 395 HG SER 78 HG SER 78 3.459 14.395 -4.986 396 H VAL 79 H VAL 79 -2.051 13.962 -3.931 397 HA VAL 79 HA VAL 79 -2.896 12.781 -6.478 398 HB VAL 79 HB VAL 79 -3.843 11.841 -3.814 399 1HG1 VAL 79 1HG1 VAL 79 -4.888 10.961 -5.783 400 2HG1 VAL 79 2HG1 VAL 79 -3.338 10.590 -6.539 401 3HG1 VAL 79 3HG1 VAL 79 -3.866 9.672 -5.128 402 1HG2 VAL 79 1HG2 VAL 79 -1.056 11.410 -4.780 403 2HG2 VAL 79 2HG2 VAL 79 -1.626 11.708 -3.157 404 3HG2 VAL 79 3HG2 VAL 79 -1.886 10.115 -3.880 405 H ALA 80 H ALA 80 -4.404 13.996 -7.352 406 HA ALA 80 HA ALA 80 -6.243 15.745 -5.992 407 1HB ALA 80 1HB ALA 80 -6.447 14.279 -8.666 408 2HB ALA 80 2HB ALA 80 -7.498 15.595 -8.105 409 3HB ALA 80 3HB ALA 80 -5.793 15.916 -8.403 410 H GLY 81 H GLY 81 -7.698 15.076 -4.570 411 1HA GLY 81 1HA GLY 81 -9.600 13.888 -3.917 412 2HA GLY 81 2HA GLY 81 -9.206 12.600 -5.044 413 H MET 82 H MET 82 -6.357 13.136 -3.142 414 HA MET 82 HA MET 82 -7.221 10.870 -1.428 415 1HB MET 82 1HB MET 82 -5.076 10.775 -2.566 416 2HB MET 82 2HB MET 82 -4.478 12.091 -1.559 417 1HG MET 82 1HG MET 82 -4.684 10.809 0.423 418 2HG MET 82 2HG MET 82 -5.766 9.628 -0.331 419 1HE MET 82 1HE MET 82 -3.617 7.368 -2.422 420 2HE MET 82 2HE MET 82 -5.170 8.244 -2.271 421 3HE MET 82 3HE MET 82 -3.835 8.963 -3.169 422 H ASN 83 H ASN 83 -6.337 14.220 -1.023 423 HA ASN 83 HA ASN 83 -5.832 14.269 1.708 424 1HB ASN 83 1HB ASN 83 -6.996 16.585 0.110 425 2HB ASN 83 2HB ASN 83 -5.840 16.650 1.465 426 1HD2 ASN 83 1HD2 ASN 83 -6.202 16.304 -1.964 427 2HD2 ASN 83 2HD2 ASN 83 -4.569 15.762 -2.311 428 H LEU 84 H LEU 84 -8.757 13.501 0.577 429 HA LEU 84 HA LEU 84 -10.344 14.854 2.643 430 1HB LEU 84 1HB LEU 84 -12.231 14.624 0.903 431 2HB LEU 84 2HB LEU 84 -11.150 16.025 0.946 432 HG LEU 84 HG LEU 84 -11.660 15.305 -1.315 433 1HD1 LEU 84 1HD1 LEU 84 -9.715 15.893 -2.150 434 2HD1 LEU 84 2HD1 LEU 84 -9.313 16.126 -0.421 435 3HD1 LEU 84 3HD1 LEU 84 -8.822 14.643 -1.272 436 1HD2 LEU 84 1HD2 LEU 84 -11.959 12.854 -0.790 437 2HD2 LEU 84 2HD2 LEU 84 -11.005 13.174 -2.237 438 3HD2 LEU 84 3HD2 LEU 84 -10.197 12.691 -0.739 439 H LEU 85 H LEU 85 -9.097 11.927 1.693 440 HA LEU 85 HA LEU 85 -11.446 10.194 2.083 441 1HB LEU 85 1HB LEU 85 -8.561 9.992 1.331 442 2HB LEU 85 2HB LEU 85 -9.146 8.624 2.266 443 HG LEU 85 HG LEU 85 -10.847 9.579 -0.046 444 1HD1 LEU 85 1HD1 LEU 85 -9.453 8.140 -1.605 445 2HD1 LEU 85 2HD1 LEU 85 -8.817 9.706 -1.137 446 3HD1 LEU 85 3HD1 LEU 85 -8.157 8.260 -0.368 447 1HD2 LEU 85 1HD2 LEU 85 -11.513 7.633 1.346 448 2HD2 LEU 85 2HD2 LEU 85 -11.200 7.184 -0.338 449 3HD2 LEU 85 3HD2 LEU 85 -9.990 6.811 0.895 450 H ALA 86 H ALA 86 -11.579 8.713 3.877 451 HA ALA 86 HA ALA 86 -10.913 9.881 6.390 452 1HB ALA 86 1HB ALA 86 -11.810 7.858 7.391 453 2HB ALA 86 2HB ALA 86 -12.843 8.324 6.033 454 3HB ALA 86 3HB ALA 86 -11.695 6.979 5.866 455 H ASP 87 H ASP 87 -9.359 9.370 7.852 456 HA ASP 87 HA ASP 87 -6.930 8.100 7.053 457 1HB ASP 87 1HB ASP 87 -6.027 8.999 8.867 458 2HB ASP 87 2HB ASP 87 -7.503 9.962 8.903 459 HD2 ASP 87 HD ASP 87 -8.730 7.964 11.608 460 H ASP 88 H ASP 88 -9.733 6.648 7.675 461 HA ASP 88 HA ASP 88 -8.325 4.059 7.922 462 1HB ASP 88 1HB ASP 88 -9.213 4.688 10.115 463 2HB ASP 88 2HB ASP 88 -10.816 4.853 9.413 464 HD2 ASP 88 HD ASP 88 -9.405 1.098 9.258 465 H ALA 89 H ALA 89 -9.177 5.526 5.577 466 HA ALA 89 HA ALA 89 -11.510 4.037 4.547 467 1HB ALA 89 1HB ALA 89 -11.204 6.374 3.803 468 2HB ALA 89 2HB ALA 89 -9.579 5.979 3.208 469 3HB ALA 89 3HB ALA 89 -11.016 5.259 2.453 470 H CYS 90 H CYS 90 -11.285 2.484 2.800 471 HA CYS 90 HA CYS 90 -8.588 1.419 2.205 472 1HB CYS 90 1HB CYS 90 -11.326 0.983 0.967 473 2HB CYS 90 2HB CYS 90 -9.821 0.241 0.372 474 HG CYS 90 HG CYS 90 -11.278 -1.562 1.565 475 H VAL 91 H VAL 91 -7.511 3.372 1.615 476 HA VAL 91 HA VAL 91 -8.573 5.185 -0.380 477 HB VAL 91 HB VAL 91 -5.727 4.634 0.572 478 1HG1 VAL 91 1HG1 VAL 91 -5.282 6.966 -0.240 479 2HG1 VAL 91 2HG1 VAL 91 -5.442 5.722 -1.469 480 3HG1 VAL 91 3HG1 VAL 91 -6.774 6.851 -1.188 481 1HG2 VAL 91 1HG2 VAL 91 -7.231 5.476 2.393 482 2HG2 VAL 91 2HG2 VAL 91 -6.012 6.670 1.953 483 3HG2 VAL 91 3HG2 VAL 91 -7.683 6.852 1.383 484 HA PRO 92 HA PRO 92 -6.923 2.567 -3.785 485 1HB PRO 92 1HB PRO 92 -7.439 4.194 -5.891 486 2HB PRO 92 2HB PRO 92 -8.719 3.217 -5.117 487 1HG PRO 92 1HG PRO 92 -8.171 6.146 -4.840 488 2HG PRO 92 2HG PRO 92 -9.742 5.257 -4.838 489 1HD PRO 92 1HD PRO 92 -8.286 6.167 -2.569 490 2HD PRO 92 2HD PRO 92 -9.630 5.010 -2.578 491 H LEU 93 H LEU 93 -4.711 2.829 -2.988 492 HA LEU 93 HA LEU 93 -3.145 5.181 -3.801 493 1HB LEU 93 1HB LEU 93 -2.278 3.635 -2.100 494 2HB LEU 93 2HB LEU 93 -2.416 2.282 -3.233 495 HG LEU 93 HG LEU 93 -0.774 3.696 -4.742 496 1HD1 LEU 93 1HD1 LEU 93 -0.938 5.806 -3.455 497 2HD1 LEU 93 2HD1 LEU 93 -0.311 4.979 -2.017 498 3HD1 LEU 93 3HD1 LEU 93 0.705 5.170 -3.451 499 1HD2 LEU 93 1HD2 LEU 93 0.004 2.304 -2.185 500 2HD2 LEU 93 2HD2 LEU 93 -0.018 1.668 -3.828 501 3HD2 LEU 93 3HD2 LEU 93 1.191 2.867 -3.413 502 H THR 94 H THR 94 -3.351 1.803 -5.176 503 HA THR 94 HA THR 94 -1.955 2.705 -7.467 504 HB THR 94 HB THR 94 -2.155 0.313 -8.037 505 HG1 THR 94 1HG THR 94 -3.657 -0.792 -7.126 506 1HG2 THR 94 1HG2 THR 94 -1.581 0.843 -5.097 507 2HG2 THR 94 2HG2 THR 94 -0.743 -0.271 -6.162 508 3HG2 THR 94 3HG2 THR 94 -0.533 1.512 -6.389 509 H THR 95 H THR 95 -5.112 3.101 -6.798 510 HA THR 95 HA THR 95 -5.980 3.236 -9.638 511 HB THR 95 HB THR 95 -7.637 2.496 -7.191 512 HG1 THR 95 1HG THR 95 -7.411 0.438 -7.943 513 1HG2 THR 95 1HG2 THR 95 -9.248 1.666 -8.956 514 2HG2 THR 95 2HG2 THR 95 -9.081 3.440 -8.888 515 3HG2 THR 95 3HG2 THR 95 -8.247 2.541 -10.165 516 H MET 96 H MET 96 -4.854 5.189 -7.272 517 HA MET 96 HA MET 96 -6.149 7.336 -8.792 518 1HB MET 96 1HB MET 96 -5.739 7.335 -5.842 519 2HB MET 96 2HB MET 96 -5.367 8.831 -6.756 520 1HG MET 96 1HG MET 96 -7.624 8.669 -7.790 521 2HG MET 96 2HG MET 96 -8.011 7.396 -6.643 522 1HE MET 96 1HE MET 96 -7.161 8.001 -3.925 523 2HE MET 96 2HE MET 96 -6.021 9.363 -4.163 524 3HE MET 96 3HE MET 96 -7.512 9.592 -3.233 525 H VAL 97 H VAL 97 -3.165 5.755 -7.657 526 HA VAL 97 HA VAL 97 -1.618 7.933 -8.855 527 HB VAL 97 HB VAL 97 -0.024 7.486 -7.372 528 1HG1 VAL 97 1HG1 VAL 97 -0.751 7.587 -5.172 529 2HG1 VAL 97 2HG1 VAL 97 -2.046 8.301 -6.172 530 3HG1 VAL 97 3HG1 VAL 97 -2.211 6.679 -5.522 531 1HG2 VAL 97 1HG2 VAL 97 0.924 5.667 -7.567 532 2HG2 VAL 97 2HG2 VAL 97 0.320 5.529 -5.941 533 3HG2 VAL 97 3HG2 VAL 97 -0.576 4.703 -7.237 534 H GLN 98 H GLN 98 -0.106 7.489 -10.447 535 HA GLN 98 HA GLN 98 -0.347 4.969 -11.981 536 1HB GLN 98 1HB GLN 98 -0.215 7.451 -12.868 537 2HB GLN 98 2HB GLN 98 1.522 7.287 -12.539 538 1HG GLN 98 1HG GLN 98 1.282 6.743 -14.810 539 2HG GLN 98 2HG GLN 98 1.437 5.181 -14.016 540 1HE2 GLN 98 1HE2 GLN 98 0.259 3.835 -15.474 541 2HE2 GLN 98 2HE2 GLN 98 -1.386 4.209 -15.957 542 H ASP 99 H ASP 99 1.765 3.860 -12.485 543 HA ASP 99 HA ASP 99 3.656 2.852 -12.140 544 1HB ASP 99 1HB ASP 99 4.395 5.243 -12.449 545 2HB ASP 99 2HB ASP 99 4.665 5.306 -10.702 546 HD2 ASP 99 HD ASP 99 7.894 4.330 -11.646 547 H ALA 100 H ALA 100 2.078 3.819 -9.216 548 HA ALA 100 HA ALA 100 3.817 2.255 -7.437 549 1HB ALA 100 1HB ALA 100 0.933 3.173 -7.080 550 2HB ALA 100 2HB ALA 100 1.961 2.590 -5.801 551 3HB ALA 100 3HB ALA 100 2.371 4.128 -6.566 552 H THR 101 H THR 101 3.062 0.327 -6.327 553 HA THR 101 HA THR 101 0.732 -1.052 -7.359 554 HB THR 101 HB THR 101 2.111 -3.233 -7.537 555 HG1 THR 101 1HG THR 101 4.139 -3.010 -7.168 556 1HG2 THR 101 1HG2 THR 101 2.706 -1.215 -9.738 557 2HG2 THR 101 2HG2 THR 101 2.575 -2.981 -9.868 558 3HG2 THR 101 3HG2 THR 101 1.134 -2.026 -9.521 559 H ALA 102 H ALA 102 0.224 -2.914 -5.836 560 HA ALA 102 HA ALA 102 1.826 -3.124 -3.403 561 1HB ALA 102 1HB ALA 102 -0.015 -1.572 -2.789 562 2HB ALA 102 2HB ALA 102 -1.208 -2.711 -3.443 563 3HB ALA 102 3HB ALA 102 -0.239 -3.154 -2.027 564 H HIS 103 H HIS 103 2.483 -5.210 -3.607 565 HA HIS 103 HA HIS 103 0.542 -7.236 -4.555 566 1HB HIS 103 1HB HIS 103 2.117 -6.851 -6.326 567 2HB HIS 103 2HB HIS 103 3.488 -6.863 -5.202 568 HD1 HIS 103 1HD HIS 103 2.435 -9.029 -7.825 569 HD2 HIS 103 2HD HIS 103 3.505 -9.498 -3.776 570 HE1 HIS 103 1HE HIS 103 3.250 -11.436 -7.461 571 HE2 HIS 103 2HE HIS 103 3.745 -11.767 -5.034 572 H LEU 104 H LEU 104 0.158 -8.752 -3.093 573 HA LEU 104 HA LEU 104 1.751 -9.013 -0.606 574 1HB LEU 104 1HB LEU 104 -0.515 -9.069 -0.170 575 2HB LEU 104 2HB LEU 104 -0.894 -9.997 -1.630 576 HG LEU 104 HG LEU 104 0.358 -11.967 -0.448 577 1HD1 LEU 104 1HD1 LEU 104 1.191 -11.592 1.537 578 2HD1 LEU 104 2HD1 LEU 104 0.642 -9.888 1.545 579 3HD1 LEU 104 3HD1 LEU 104 -0.380 -11.222 2.170 580 1HD2 LEU 104 1HD2 LEU 104 -1.728 -12.560 0.736 581 2HD2 LEU 104 2HD2 LEU 104 -2.353 -10.922 0.398 582 3HD2 LEU 104 3HD2 LEU 104 -1.953 -12.028 -0.928 583 H ASP 105 H ASP 105 3.753 -10.025 -1.250 584 HA ASP 105 HA ASP 105 3.630 -12.624 -2.601 585 1HB ASP 105 1HB ASP 105 5.719 -11.083 -2.589 586 2HB ASP 105 2HB ASP 105 5.986 -11.654 -0.941 587 HD2 ASP 105 HD ASP 105 7.043 -14.767 -2.062 588 H VAL 106 H VAL 106 2.078 -13.869 -1.220 589 HA VAL 106 HA VAL 106 2.377 -13.843 1.575 590 HB VAL 106 HB VAL 106 0.429 -14.559 0.146 591 1HG1 VAL 106 1HG1 VAL 106 1.516 -16.131 -1.397 592 2HG1 VAL 106 2HG1 VAL 106 1.897 -17.221 -0.064 593 3HG1 VAL 106 3HG1 VAL 106 0.204 -16.901 -0.500 594 1HG2 VAL 106 1HG2 VAL 106 1.332 -16.240 2.469 595 2HG2 VAL 106 2HG2 VAL 106 0.416 -14.724 2.476 596 3HG2 VAL 106 3HG2 VAL 106 -0.335 -16.179 1.802 597 H GLY 107 H GLY 107 4.129 -15.646 -0.967 598 1HA GLY 107 1HA GLY 107 4.943 -17.780 0.649 599 2HA GLY 107 2HA GLY 107 5.692 -17.286 -0.877 600 H GLN 108 H GLN 108 6.552 -14.616 0.042 601 HA GLN 108 HA GLN 108 8.546 -15.358 2.112 602 1HB GLN 108 1HB GLN 108 9.103 -14.541 -0.361 603 2HB GLN 108 2HB GLN 108 8.805 -12.932 0.323 604 1HG GLN 108 1HG GLN 108 11.112 -13.235 0.608 605 2HG GLN 108 2HG GLN 108 10.514 -13.703 2.194 606 1HE2 GLN 108 1HE2 GLN 108 10.250 -16.129 2.611 607 2HE2 GLN 108 2HE2 GLN 108 11.352 -17.195 1.792 608 H GLN 109 H GLN 109 5.660 -14.220 2.248 609 HA GLN 109 HA GLN 109 4.471 -12.614 3.279 610 1HB GLN 109 1HB GLN 109 6.590 -13.290 5.343 611 2HB GLN 109 2HB GLN 109 5.142 -12.308 5.668 612 1HG GLN 109 1HG GLN 109 3.751 -14.218 4.752 613 2HG GLN 109 2HG GLN 109 5.235 -15.183 4.615 614 1HE2 GLN 109 1HE2 GLN 109 3.051 -13.541 6.997 615 2HE2 GLN 109 2HE2 GLN 109 3.378 -14.686 8.262 616 H ARG 110 H ARG 110 5.674 -11.395 1.418 617 HA ARG 110 HA ARG 110 6.698 -8.866 2.584 618 1HB ARG 110 1HB ARG 110 8.531 -10.232 1.674 619 2HB ARG 110 2HB ARG 110 7.730 -10.074 0.098 620 1HG ARG 110 1HG ARG 110 7.769 -7.481 0.682 621 2HG ARG 110 2HG ARG 110 9.033 -7.964 1.836 622 1HD ARG 110 1HD ARG 110 9.637 -9.225 -0.669 623 2HD ARG 110 2HD ARG 110 9.195 -7.555 -1.049 624 HE ARG 110 HE ARG 110 11.050 -7.939 1.193 625 1HH1 ARG 110 2HH2 ARG 110 11.078 -7.673 -2.343 626 2HH1 ARG 110 1HH2 ARG 110 12.634 -6.957 -2.405 627 1HH2 ARG 110 2HH1 ARG 110 13.101 -7.109 1.109 628 2HH2 ARG 110 1HH1 ARG 110 13.844 -6.624 -0.383 629 H LEU 111 H LEU 111 5.268 -7.309 2.335 630 HA LEU 111 HA LEU 111 3.449 -7.501 0.015 631 1HB LEU 111 1HB LEU 111 2.333 -6.913 1.988 632 2HB LEU 111 2HB LEU 111 3.539 -5.712 2.443 633 HG LEU 111 HG LEU 111 2.868 -4.417 0.445 634 1HD1 LEU 111 1HD1 LEU 111 0.877 -6.597 0.032 635 2HD1 LEU 111 2HD1 LEU 111 0.560 -4.927 -0.541 636 3HD1 LEU 111 3HD1 LEU 111 1.985 -5.774 -1.093 637 1HD2 LEU 111 1HD2 LEU 111 0.425 -3.909 1.518 638 2HD2 LEU 111 2HD2 LEU 111 1.173 -4.848 2.829 639 3HD2 LEU 111 3HD2 LEU 111 1.963 -3.396 2.212 640 H ASN 112 H ASN 112 4.893 -7.288 -1.640 641 HA ASN 112 HA ASN 112 7.041 -5.375 -1.827 642 1HB ASN 112 1HB ASN 112 5.438 -6.377 -4.176 643 2HB ASN 112 2HB ASN 112 7.127 -5.904 -4.135 644 1HD2 ASN 112 1HD2 ASN 112 8.687 -7.630 -3.691 645 2HD2 ASN 112 2HD2 ASN 112 8.144 -9.265 -3.408 646 H LEU 113 H LEU 113 6.756 -3.144 -2.035 647 HA LEU 113 HA LEU 113 4.240 -2.237 -3.243 648 1HB LEU 113 1HB LEU 113 4.492 -2.486 -0.504 649 2HB LEU 113 2HB LEU 113 5.126 -0.856 -0.702 650 HG LEU 113 HG LEU 113 2.701 -1.410 -2.240 651 1HD1 LEU 113 1HD1 LEU 113 1.066 -1.323 -0.477 652 2HD1 LEU 113 2HD1 LEU 113 1.951 -2.824 -0.684 653 3HD1 LEU 113 3HD1 LEU 113 2.366 -1.720 0.673 654 1HD2 LEU 113 1HD2 LEU 113 3.578 0.853 -1.971 655 2HD2 LEU 113 2HD2 LEU 113 1.903 0.675 -1.458 656 3HD2 LEU 113 3HD2 LEU 113 3.212 0.749 -0.220 657 H THR 114 H THR 114 4.469 -0.251 -4.386 658 HA THR 114 HA THR 114 7.198 0.937 -4.332 659 HB THR 114 HB THR 114 5.683 -0.234 -6.722 660 HG1 THR 114 1HG THR 114 7.352 -1.670 -6.795 661 1HG2 THR 114 1HG2 THR 114 6.889 1.817 -7.393 662 2HG2 THR 114 2HG2 THR 114 8.368 1.190 -6.631 663 3HG2 THR 114 3HG2 THR 114 7.674 0.383 -8.054 664 H ILE 115 H ILE 115 7.192 3.127 -4.983 665 HA ILE 115 HA ILE 115 4.664 4.253 -5.878 666 HB ILE 115 HB ILE 115 5.931 4.921 -3.219 667 1HG1 ILE 115 1HG1 ILE 115 3.057 4.670 -4.199 668 2HG1 ILE 115 2HG1 ILE 115 3.946 3.432 -3.275 669 1HG2 ILE 115 1HG2 ILE 115 6.027 7.015 -4.281 670 2HG2 ILE 115 2HG2 ILE 115 4.388 6.881 -4.910 671 3HG2 ILE 115 3HG2 ILE 115 4.693 7.085 -3.166 672 1HD1 ILE 115 1HD1 ILE 115 3.023 6.106 -2.228 673 2HD1 ILE 115 2HD1 ILE 115 2.445 4.507 -1.807 674 3HD1 ILE 115 3HD1 ILE 115 4.095 4.982 -1.352 675 HA PRO 116 HA PRO 116 7.744 6.645 -8.210 676 1HB PRO 116 1HB PRO 116 6.031 8.551 -9.187 677 2HB PRO 116 2HB PRO 116 6.160 6.906 -9.863 678 1HG PRO 116 1HG PRO 116 4.158 7.951 -7.865 679 2HG PRO 116 2HG PRO 116 3.848 7.017 -9.352 680 1HD PRO 116 1HD PRO 116 3.979 5.863 -6.880 681 2HD PRO 116 2HD PRO 116 4.625 5.010 -8.298 682 H GLN 117 H GLN 117 8.917 8.390 -7.592 683 HA GLN 117 HA GLN 117 8.774 9.519 -5.002 684 1HB GLN 117 1HB GLN 117 10.193 10.485 -7.502 685 2HB GLN 117 2HB GLN 117 10.446 11.196 -5.893 686 1HG GLN 117 1HG GLN 117 10.995 8.302 -6.620 687 2HG GLN 117 2HG GLN 117 12.199 9.617 -6.563 688 1HE2 GLN 117 1HE2 GLN 117 10.842 7.057 -4.770 689 2HE2 GLN 117 2HE2 GLN 117 11.398 7.608 -3.191 690 H ALA 118 H ALA 118 7.220 10.589 -7.957 691 HA ALA 118 HA ALA 118 6.616 13.282 -7.346 692 1HB ALA 118 1HB ALA 118 6.153 12.320 -9.519 693 2HB ALA 118 2HB ALA 118 5.057 11.120 -8.812 694 3HB ALA 118 3HB ALA 118 4.612 12.843 -8.804 695 H PHE 119 H PHE 119 5.026 10.204 -6.111 696 HA PHE 119 HA PHE 119 3.177 11.891 -4.528 697 1HB PHE 119 1HB PHE 119 3.474 8.935 -5.136 698 2HB PHE 119 2HB PHE 119 2.184 9.636 -4.152 699 HD1 PHE 119 1HD PHE 119 3.611 9.937 -7.683 700 HD2 PHE 119 2HD PHE 119 0.169 9.835 -5.156 701 HE1 PHE 119 1HE PHE 119 2.181 10.162 -9.659 702 HE2 PHE 119 2HE PHE 119 -1.296 10.215 -7.167 703 HZ PHE 119 HZ PHE 119 -0.282 10.326 -9.416 704 H MET 120 H MET 120 6.078 11.908 -3.808 705 HA MET 120 HA MET 120 5.875 10.676 -1.099 706 1HB MET 120 1HB MET 120 8.282 10.521 -2.941 707 2HB MET 120 2HB MET 120 8.231 10.018 -1.229 708 1HG MET 120 1HG MET 120 6.078 8.700 -2.397 709 2HG MET 120 2HG MET 120 7.342 8.612 -3.619 710 1HE MET 120 1HE MET 120 7.384 6.881 0.708 711 2HE MET 120 2HE MET 120 7.128 8.598 0.352 712 3HE MET 120 3HE MET 120 5.945 7.391 -0.190 713 H SER 121 H SER 121 5.541 12.465 -0.040 714 HA SER 121 HA SER 121 6.984 14.952 -0.357 715 1HB SER 121 1HB SER 121 5.240 13.647 1.727 716 2HB SER 121 2HB SER 121 6.206 15.068 2.181 717 HG SER 121 HG SER 121 4.443 15.978 1.477 718 H ASN 122 H ASN 122 8.286 15.750 1.570 719 HA ASN 122 HA ASN 122 10.787 14.570 1.465 720 1HB ASN 122 1HB ASN 122 9.683 16.317 3.701 721 2HB ASN 122 2HB ASN 122 11.395 16.096 3.309 722 1HD2 ASN 122 1HD2 ASN 122 8.443 17.773 2.563 723 2HD2 ASN 122 2HD2 ASN 122 9.121 18.834 1.341 724 H ARG 123 H ARG 123 12.023 13.409 2.907 725 HA ARG 123 HA ARG 123 12.416 11.483 4.094 726 1HB ARG 123 1HB ARG 123 11.231 13.358 6.149 727 2HB ARG 123 2HB ARG 123 12.067 11.847 6.574 728 1HG ARG 123 1HG ARG 123 13.348 14.052 4.926 729 2HG ARG 123 2HG ARG 123 13.478 13.954 6.698 730 1HD ARG 123 1HD ARG 123 14.738 11.951 6.610 731 2HD ARG 123 2HD ARG 123 14.277 11.633 4.912 732 HE ARG 123 HE ARG 123 15.775 13.081 4.112 733 1HH1 ARG 123 2HH2 ARG 123 15.956 13.242 7.664 734 2HH1 ARG 123 1HH2 ARG 123 17.525 13.982 7.682 735 1HH2 ARG 123 2HH1 ARG 123 17.912 13.767 4.132 736 2HH2 ARG 123 1HH1 ARG 123 18.692 14.278 5.577 737 H ALA 124 H ALA 124 11.019 10.175 2.852 738 HA ALA 124 HA ALA 124 8.548 9.162 3.847 739 1HB ALA 124 1HB ALA 124 9.224 8.499 1.646 740 2HB ALA 124 2HB ALA 124 10.783 7.879 2.232 741 3HB ALA 124 3HB ALA 124 9.274 7.036 2.648 742 H ARG 125 H ARG 125 8.119 8.049 5.705 743 HA ARG 125 HA ARG 125 10.415 7.800 7.585 744 1HB ARG 125 1HB ARG 125 7.427 8.121 8.031 745 2HB ARG 125 2HB ARG 125 8.627 7.873 9.326 746 1HG ARG 125 1HG ARG 125 8.409 10.262 7.476 747 2HG ARG 125 2HG ARG 125 8.031 10.180 9.215 748 1HD ARG 125 1HD ARG 125 10.625 9.355 9.249 749 2HD ARG 125 2HD ARG 125 10.674 10.411 7.826 750 HE ARG 125 HE ARG 125 10.158 12.262 9.175 751 1HH1 ARG 125 2HH2 ARG 125 10.234 9.325 11.246 752 2HH1 ARG 125 1HH2 ARG 125 9.602 10.167 12.617 753 1HH2 ARG 125 2HH1 ARG 125 9.638 13.333 10.990 754 2HH2 ARG 125 1HH1 ARG 125 9.395 12.573 12.535 Start of MODEL 12 1 1H GLY 25 H GLY 25 -8.746 -12.031 -13.866 2 1HA GLY 25 1HA GLY 25 -7.759 -14.821 -13.717 3 2HA GLY 25 2HA GLY 25 -6.969 -13.398 -13.002 4 H GLN 26 H GLN 26 -7.537 -12.794 -10.959 5 HA GLN 26 HA GLN 26 -8.027 -13.024 -8.909 6 1HB GLN 26 1HB GLN 26 -10.178 -12.382 -8.862 7 2HB GLN 26 2HB GLN 26 -10.741 -13.706 -9.912 8 1HG GLN 26 1HG GLN 26 -11.668 -13.913 -7.725 9 2HG GLN 26 2HG GLN 26 -10.646 -15.291 -8.092 10 1HE2 GLN 26 1HE2 GLN 26 -8.301 -12.945 -7.098 11 2HE2 GLN 26 2HE2 GLN 26 -8.474 -13.188 -5.401 12 H GLU 27 H GLU 27 -6.779 -14.307 -7.815 13 HA GLU 27 HA GLU 27 -7.289 -17.189 -7.686 14 1HB GLU 27 1HB GLU 27 -4.844 -17.534 -8.213 15 2HB GLU 27 2HB GLU 27 -5.876 -17.089 -9.589 16 1HG GLU 27 1HG GLU 27 -5.033 -14.725 -9.398 17 2HG GLU 27 2HG GLU 27 -3.957 -15.247 -8.080 18 HE2 GLU 27 HE GLU 27 -2.957 -16.157 -11.790 19 H LEU 28 H LEU 28 -7.491 -14.856 -5.866 20 HA LEU 28 HA LEU 28 -6.244 -16.132 -3.675 21 1HB LEU 28 1HB LEU 28 -4.733 -14.083 -4.982 22 2HB LEU 28 2HB LEU 28 -5.253 -13.430 -3.426 23 HG LEU 28 HG LEU 28 -3.565 -15.913 -3.911 24 1HD1 LEU 28 1HD1 LEU 28 -2.297 -13.832 -3.982 25 2HD1 LEU 28 2HD1 LEU 28 -2.981 -13.320 -2.410 26 3HD1 LEU 28 3HD1 LEU 28 -1.912 -14.709 -2.516 27 1HD2 LEU 28 1HD2 LEU 28 -4.995 -14.937 -1.451 28 2HD2 LEU 28 2HD2 LEU 28 -4.865 -16.597 -2.127 29 3HD2 LEU 28 3HD2 LEU 28 -3.477 -15.856 -1.333 30 HA PRO 29 HA PRO 29 -10.160 -14.142 -2.750 31 1HB PRO 29 1HB PRO 29 -10.919 -15.586 -0.541 32 2HB PRO 29 2HB PRO 29 -10.944 -16.238 -2.206 33 1HG PRO 29 1HG PRO 29 -8.827 -16.614 -0.079 34 2HG PRO 29 2HG PRO 29 -9.543 -17.859 -1.164 35 1HD PRO 29 1HD PRO 29 -7.131 -16.627 -1.652 36 2HD PRO 29 2HD PRO 29 -8.215 -17.166 -2.959 37 HA PRO 30 HA PRO 30 -9.057 -10.936 0.065 38 1HB PRO 30 1HB PRO 30 -11.467 -9.977 0.918 39 2HB PRO 30 2HB PRO 30 -10.770 -9.736 -0.716 40 1HG PRO 30 1HG PRO 30 -12.851 -11.716 0.156 41 2HG PRO 30 2HG PRO 30 -12.760 -10.780 -1.377 42 1HD PRO 30 1HD PRO 30 -12.002 -13.408 -1.126 43 2HD PRO 30 2HD PRO 30 -11.320 -12.306 -2.334 44 H GLY 31 H GLY 31 -9.166 -10.077 2.413 45 1HA GLY 31 1HA GLY 31 -9.805 -11.683 4.632 46 2HA GLY 31 2HA GLY 31 -8.380 -12.416 3.897 47 H THR 32 H THR 32 -7.010 -11.929 5.745 48 HA THR 32 HA THR 32 -5.843 -9.301 5.481 49 HB THR 32 HB THR 32 -7.500 -9.057 7.355 50 HG1 THR 32 1HG THR 32 -6.216 -7.647 8.028 51 1HG2 THR 32 1HG2 THR 32 -5.584 -10.789 8.966 52 2HG2 THR 32 2HG2 THR 32 -7.066 -9.991 9.513 53 3HG2 THR 32 3HG2 THR 32 -7.173 -11.357 8.381 54 H TYR 33 H TYR 33 -3.567 -9.397 5.678 55 HA TYR 33 HA TYR 33 -2.449 -12.036 6.455 56 1HB TYR 33 1HB TYR 33 -0.622 -11.339 4.685 57 2HB TYR 33 2HB TYR 33 -2.035 -12.344 4.310 58 HD1 TYR 33 1HD TYR 33 -1.013 -8.643 4.156 59 HD2 TYR 33 2HD TYR 33 -2.994 -11.966 2.272 60 HE1 TYR 33 1HE TYR 33 -1.859 -7.153 2.383 61 HE2 TYR 33 2HE TYR 33 -3.607 -10.534 0.399 62 HH TYR 33 HH TYR 33 -3.123 -8.386 -0.613 63 H ARG 34 H ARG 34 -0.567 -11.923 7.778 64 HA ARG 34 HA ARG 34 0.348 -9.302 8.691 65 1HB ARG 34 1HB ARG 34 -0.052 -11.341 10.202 66 2HB ARG 34 2HB ARG 34 1.320 -12.116 9.412 67 1HG ARG 34 1HG ARG 34 1.454 -9.439 10.827 68 2HG ARG 34 2HG ARG 34 1.775 -10.980 11.632 69 1HD ARG 34 1HD ARG 34 3.339 -10.525 9.157 70 2HD ARG 34 2HD ARG 34 3.615 -9.321 10.412 71 HE ARG 34 HE ARG 34 4.714 -11.903 10.247 72 1HH1 ARG 34 2HH2 ARG 34 3.446 -9.720 12.780 73 2HH1 ARG 34 1HH2 ARG 34 4.298 -10.577 14.042 74 1HH2 ARG 34 2HH1 ARG 34 5.853 -12.871 11.891 75 2HH2 ARG 34 1HH1 ARG 34 5.701 -12.308 13.545 76 H VAL 35 H VAL 35 2.126 -8.400 7.593 77 HA VAL 35 HA VAL 35 4.259 -9.954 6.416 78 HB VAL 35 HB VAL 35 3.880 -8.924 4.114 79 1HG1 VAL 35 1HG1 VAL 35 1.602 -10.789 4.429 80 2HG1 VAL 35 2HG1 VAL 35 2.956 -10.736 3.265 81 3HG1 VAL 35 3HG1 VAL 35 3.216 -11.347 4.883 82 1HG2 VAL 35 1HG2 VAL 35 1.050 -8.431 5.187 83 2HG2 VAL 35 2HG2 VAL 35 2.194 -7.215 4.596 84 3HG2 VAL 35 3HG2 VAL 35 1.480 -8.427 3.494 85 H ASP 36 H ASP 36 5.693 -8.277 5.108 86 HA ASP 36 HA ASP 36 5.887 -5.866 6.847 87 1HB ASP 36 1HB ASP 36 8.072 -6.260 4.963 88 2HB ASP 36 2HB ASP 36 8.059 -5.872 6.700 89 HD2 ASP 36 HD ASP 36 9.188 -9.435 5.649 90 H ILE 37 H ILE 37 5.186 -3.995 5.930 91 HA ILE 37 HA ILE 37 4.497 -3.856 3.079 92 HB ILE 37 HB ILE 37 4.306 -1.807 5.318 93 1HG1 ILE 37 1HG1 ILE 37 1.802 -2.718 4.044 94 2HG1 ILE 37 2HG1 ILE 37 2.619 -3.983 4.969 95 1HG2 ILE 37 1HG2 ILE 37 2.707 -0.650 3.589 96 2HG2 ILE 37 2HG2 ILE 37 4.450 -0.509 3.423 97 3HG2 ILE 37 3HG2 ILE 37 3.540 -1.625 2.358 98 1HD1 ILE 37 1HD1 ILE 37 1.003 -2.796 6.402 99 2HD1 ILE 37 2HD1 ILE 37 2.642 -2.495 6.976 100 3HD1 ILE 37 3HD1 ILE 37 1.794 -1.246 6.035 101 H TYR 38 H TYR 38 5.970 -3.405 1.627 102 HA TYR 38 HA TYR 38 8.571 -2.211 2.486 103 1HB TYR 38 1HB TYR 38 7.763 -4.681 1.157 104 2HB TYR 38 2HB TYR 38 8.851 -3.760 0.108 105 HD1 TYR 38 1HD TYR 38 11.028 -3.043 0.885 106 HD2 TYR 38 2HD TYR 38 8.664 -5.895 3.008 107 HE1 TYR 38 1HE TYR 38 13.077 -3.780 2.092 108 HE2 TYR 38 2HE TYR 38 10.683 -6.713 4.220 109 HH TYR 38 HH TYR 38 13.042 -6.505 4.413 110 H LEU 39 H LEU 39 8.200 0.005 1.897 111 HA LEU 39 HA LEU 39 7.103 0.521 -0.821 112 1HB LEU 39 1HB LEU 39 6.682 2.079 1.242 113 2HB LEU 39 2HB LEU 39 8.370 2.576 1.050 114 HG LEU 39 HG LEU 39 7.761 3.138 -1.398 115 1HD1 LEU 39 1HD1 LEU 39 4.994 2.724 -0.182 116 2HD1 LEU 39 2HD1 LEU 39 5.276 3.674 -1.638 117 3HD1 LEU 39 3HD1 LEU 39 5.645 1.945 -1.649 118 1HD2 LEU 39 1HD2 LEU 39 6.794 5.273 -0.759 119 2HD2 LEU 39 2HD2 LEU 39 6.334 4.642 0.839 120 3HD2 LEU 39 3HD2 LEU 39 8.051 4.824 0.413 121 H ASN 40 H ASN 40 8.535 0.647 -2.514 122 HA ASN 40 HA ASN 40 10.543 0.853 -3.650 123 1HB ASN 40 1HB ASN 40 10.930 2.987 -1.506 124 2HB ASN 40 2HB ASN 40 11.789 2.916 -3.058 125 1HD2 ASN 40 1HD2 ASN 40 10.289 5.267 -2.180 126 2HD2 ASN 40 2HD2 ASN 40 8.969 5.336 -3.322 127 H ASN 41 H ASN 41 10.585 -1.233 -1.753 128 HA ASN 41 HA ASN 41 12.027 -2.779 -1.014 129 1HB ASN 41 1HB ASN 41 14.294 -1.145 -2.145 130 2HB ASN 41 2HB ASN 41 14.242 -2.886 -1.768 131 1HD2 ASN 41 1HD2 ASN 41 13.957 -0.611 -4.331 132 2HD2 ASN 41 2HD2 ASN 41 13.271 -1.777 -5.462 133 H GLY 42 H GLY 42 11.287 -0.378 0.770 134 1HA GLY 42 1HA GLY 42 13.741 -0.108 2.405 135 2HA GLY 42 2HA GLY 42 12.554 1.117 2.035 136 H TYR 43 H TYR 43 11.175 -1.934 2.978 137 HA TYR 43 HA TYR 43 9.631 -2.346 4.662 138 1HB TYR 43 1HB TYR 43 11.426 -3.676 5.235 139 2HB TYR 43 2HB TYR 43 12.432 -2.309 5.746 140 HD1 TYR 43 1HD TYR 43 13.110 -2.929 7.898 141 HD2 TYR 43 2HD TYR 43 8.901 -3.162 6.900 142 HE1 TYR 43 1HE TYR 43 12.549 -3.320 10.276 143 HE2 TYR 43 2HE TYR 43 8.360 -3.391 9.283 144 HH TYR 43 HH TYR 43 9.174 -3.418 11.465 145 H MET 44 H MET 44 8.104 -0.983 5.186 146 HA MET 44 HA MET 44 8.751 1.536 6.588 147 1HB MET 44 1HB MET 44 6.102 0.772 5.334 148 2HB MET 44 2HB MET 44 6.727 2.409 5.595 149 1HG MET 44 1HG MET 44 7.532 0.373 3.529 150 2HG MET 44 2HG MET 44 6.909 1.999 3.279 151 1HE MET 44 1HE MET 44 8.354 4.243 3.867 152 2HE MET 44 2HE MET 44 8.795 3.565 5.460 153 3HE MET 44 3HE MET 44 10.050 4.160 4.371 154 H ALA 45 H ALA 45 6.728 -1.402 6.937 155 HA ALA 45 HA ALA 45 6.429 -1.094 9.764 156 1HB ALA 45 1HB ALA 45 4.643 0.479 9.119 157 2HB ALA 45 2HB ALA 45 3.998 -0.686 7.938 158 3HB ALA 45 3HB ALA 45 3.892 -1.027 9.673 159 H THR 46 H THR 46 5.259 -3.022 10.621 160 HA THR 46 HA THR 46 4.788 -5.214 8.708 161 HB THR 46 HB THR 46 6.648 -5.429 11.096 162 HG1 THR 46 1HG THR 46 8.018 -6.157 9.365 163 1HG2 THR 46 1HG2 THR 46 5.512 -7.607 9.272 164 2HG2 THR 46 2HG2 THR 46 6.802 -7.841 10.450 165 3HG2 THR 46 3HG2 THR 46 5.181 -7.430 11.007 166 H ARG 47 H ARG 47 2.744 -5.557 8.967 167 HA ARG 47 HA ARG 47 1.584 -6.223 11.554 168 1HB ARG 47 1HB ARG 47 -0.336 -4.526 10.859 169 2HB ARG 47 2HB ARG 47 0.996 -4.129 11.956 170 1HG ARG 47 1HG ARG 47 1.811 -2.532 10.543 171 2HG ARG 47 2HG ARG 47 1.469 -3.486 9.076 172 1HD ARG 47 1HD ARG 47 0.188 -1.469 9.037 173 2HD ARG 47 2HD ARG 47 -0.858 -2.879 9.142 174 HE ARG 47 HE ARG 47 -0.382 -0.766 11.157 175 1HH1 ARG 47 2HH2 ARG 47 -2.218 -3.716 10.302 176 2HH1 ARG 47 1HH2 ARG 47 -3.310 -3.629 11.594 177 1HH2 ARG 47 2HH1 ARG 47 -1.909 -0.520 12.777 178 2HH2 ARG 47 1HH1 ARG 47 -3.241 -1.636 12.971 179 H ASP 48 H ASP 48 -0.737 -6.445 11.194 180 HA ASP 48 HA ASP 48 -1.674 -8.259 9.149 181 1HB ASP 48 1HB ASP 48 -3.869 -7.663 10.210 182 2HB ASP 48 2HB ASP 48 -2.656 -8.309 11.348 183 HD2 ASP 48 HD ASP 48 -2.357 -5.213 12.994 184 H VAL 49 H VAL 49 -2.495 -7.616 7.228 185 HA VAL 49 HA VAL 49 -3.329 -4.820 6.762 186 HB VAL 49 HB VAL 49 -1.875 -6.372 4.623 187 1HG1 VAL 49 1HG1 VAL 49 -2.267 -3.397 5.182 188 2HG1 VAL 49 2HG1 VAL 49 -1.490 -4.101 3.753 189 3HG1 VAL 49 3HG1 VAL 49 -3.224 -4.366 4.043 190 1HG2 VAL 49 1HG2 VAL 49 -0.197 -6.306 6.339 191 2HG2 VAL 49 2HG2 VAL 49 0.184 -5.064 5.151 192 3HG2 VAL 49 3HG2 VAL 49 -0.553 -4.593 6.696 193 H THR 50 H THR 50 -5.461 -5.133 6.753 194 HA THR 50 HA THR 50 -6.737 -7.483 5.673 195 HB THR 50 HB THR 50 -7.751 -4.735 6.485 196 HG1 THR 50 1HG THR 50 -8.130 -5.784 8.449 197 1HG2 THR 50 1HG2 THR 50 -9.253 -7.372 6.180 198 2HG2 THR 50 2HG2 THR 50 -9.927 -5.833 6.761 199 3HG2 THR 50 3HG2 THR 50 -9.391 -5.992 5.077 200 H PHE 51 H PHE 51 -7.292 -7.870 3.447 201 HA PHE 51 HA PHE 51 -6.994 -5.633 1.609 202 1HB PHE 51 1HB PHE 51 -6.016 -7.412 0.178 203 2HB PHE 51 2HB PHE 51 -5.079 -7.111 1.653 204 HD1 PHE 51 1HD PHE 51 -7.287 -9.477 -0.110 205 HD2 PHE 51 2HD PHE 51 -4.946 -8.833 3.411 206 HE1 PHE 51 1HE PHE 51 -7.129 -11.899 0.264 207 HE2 PHE 51 2HE PHE 51 -4.956 -11.294 3.837 208 HZ PHE 51 HZ PHE 51 -6.013 -12.809 2.314 209 H ASN 52 H ASN 52 -8.192 -5.896 -0.316 210 HA ASN 52 HA ASN 52 -10.761 -7.360 0.014 211 1HB ASN 52 1HB ASN 52 -10.350 -4.359 -0.270 212 2HB ASN 52 2HB ASN 52 -11.910 -5.200 -0.470 213 1HD2 ASN 52 1HD2 ASN 52 -9.323 -4.526 1.920 214 2HD2 ASN 52 2HD2 ASN 52 -10.416 -4.550 3.293 215 H THR 53 H THR 53 -12.146 -6.830 -1.970 216 HA THR 53 HA THR 53 -10.770 -8.164 -3.991 217 HB THR 53 HB THR 53 -13.595 -7.123 -4.001 218 HG1 THR 53 1HG THR 53 -14.076 -8.868 -2.552 219 1HG2 THR 53 1HG2 THR 53 -12.883 -8.598 -5.899 220 2HG2 THR 53 2HG2 THR 53 -12.460 -9.839 -4.701 221 3HG2 THR 53 3HG2 THR 53 -14.148 -9.345 -4.892 222 H GLY 54 H GLY 54 -9.311 -6.648 -4.852 223 1HA GLY 54 1HA GLY 54 -10.406 -4.676 -6.802 224 2HA GLY 54 2HA GLY 54 -9.025 -4.227 -5.797 225 H ASP 55 H ASP 55 -8.831 -4.273 -8.572 226 HA ASP 55 HA ASP 55 -8.218 -6.960 -9.386 227 1HB ASP 55 1HB ASP 55 -9.358 -4.861 -10.611 228 2HB ASP 55 2HB ASP 55 -7.703 -4.655 -11.199 229 HD2 ASP 55 HD ASP 55 -8.301 -8.237 -12.361 230 H SER 56 H SER 56 -6.258 -7.911 -9.150 231 HA SER 56 HA SER 56 -3.850 -6.445 -9.834 232 1HB SER 56 1HB SER 56 -4.102 -8.008 -7.212 233 2HB SER 56 2HB SER 56 -2.628 -7.216 -7.807 234 HG SER 56 HG SER 56 -4.402 -6.240 -6.226 235 H GLU 57 H GLU 57 -1.941 -8.243 -9.628 236 HA GLU 57 HA GLU 57 -2.331 -10.496 -11.196 237 1HB GLU 57 1HB GLU 57 -0.456 -10.269 -8.816 238 2HB GLU 57 2HB GLU 57 -0.290 -11.326 -10.244 239 1HG GLU 57 1HG GLU 57 -0.328 -9.079 -11.583 240 2HG GLU 57 2HG GLU 57 0.086 -8.326 -10.041 241 HE2 GLU 57 HE GLU 57 2.888 -10.077 -12.152 242 H GLN 58 H GLN 58 -2.370 -10.277 -7.615 243 HA GLN 58 HA GLN 58 -3.347 -12.923 -7.211 244 1HB GLN 58 1HB GLN 58 -3.678 -10.524 -5.389 245 2HB GLN 58 2HB GLN 58 -3.542 -12.211 -4.903 246 1HG GLN 58 1HG GLN 58 -1.331 -11.831 -4.612 247 2HG GLN 58 2HG GLN 58 -1.153 -11.689 -6.357 248 1HE2 GLN 58 1HE2 GLN 58 -1.185 -10.091 -3.362 249 2HE2 GLN 58 2HE2 GLN 58 -1.186 -8.395 -3.944 250 H GLY 59 H GLY 59 -5.058 -9.896 -7.812 251 1HA GLY 59 1HA GLY 59 -7.320 -9.706 -8.400 252 2HA GLY 59 2HA GLY 59 -7.711 -11.210 -7.624 253 H ILE 60 H ILE 60 -5.785 -8.983 -5.732 254 HA ILE 60 HA ILE 60 -8.004 -7.954 -4.195 255 HB ILE 60 HB ILE 60 -6.686 -8.849 -2.028 256 1HG1 ILE 60 1HG1 ILE 60 -6.163 -11.134 -3.983 257 2HG1 ILE 60 2HG1 ILE 60 -4.929 -9.914 -3.593 258 1HG2 ILE 60 1HG2 ILE 60 -8.180 -10.817 -1.943 259 2HG2 ILE 60 2HG2 ILE 60 -9.047 -9.395 -2.550 260 3HG2 ILE 60 3HG2 ILE 60 -8.521 -10.680 -3.663 261 1HD1 ILE 60 1HD1 ILE 60 -4.487 -11.755 -2.185 262 2HD1 ILE 60 2HD1 ILE 60 -5.235 -10.540 -1.168 263 3HD1 ILE 60 3HD1 ILE 60 -6.190 -11.943 -1.733 264 H VAL 61 H VAL 61 -7.202 -6.289 -2.660 265 HA VAL 61 HA VAL 61 -4.404 -5.416 -3.002 266 HB VAL 61 HB VAL 61 -5.176 -3.066 -3.234 267 1HG1 VAL 61 1HG1 VAL 61 -5.701 -3.138 -5.619 268 2HG1 VAL 61 2HG1 VAL 61 -4.437 -4.297 -5.196 269 3HG1 VAL 61 3HG1 VAL 61 -6.104 -4.857 -5.503 270 1HG2 VAL 61 1HG2 VAL 61 -7.446 -2.550 -4.039 271 2HG2 VAL 61 2HG2 VAL 61 -7.941 -4.228 -3.740 272 3HG2 VAL 61 3HG2 VAL 61 -7.454 -3.185 -2.386 273 HA PRO 62 HA PRO 62 -4.886 -4.828 1.417 274 1HB PRO 62 1HB PRO 62 -2.869 -3.106 1.998 275 2HB PRO 62 2HB PRO 62 -2.581 -4.794 1.480 276 1HG PRO 62 1HG PRO 62 -2.533 -2.290 -0.225 277 2HG PRO 62 2HG PRO 62 -1.304 -3.597 -0.137 278 1HD PRO 62 1HD PRO 62 -3.223 -3.521 -2.086 279 2HD PRO 62 2HD PRO 62 -2.678 -5.068 -1.389 280 H CYS 63 H CYS 63 -5.746 -3.423 2.927 281 HA CYS 63 HA CYS 63 -7.065 -0.965 2.065 282 1HB CYS 63 1HB CYS 63 -8.251 -2.460 3.568 283 2HB CYS 63 2HB CYS 63 -6.921 -2.385 4.753 284 HG CYS 63 HG CYS 63 -8.976 -1.055 5.659 285 H LEU 64 H LEU 64 -5.301 0.327 1.532 286 HA LEU 64 HA LEU 64 -3.458 1.134 3.720 287 1HB LEU 64 1HB LEU 64 -3.575 2.016 0.811 288 2HB LEU 64 2HB LEU 64 -2.369 2.506 2.020 289 HG LEU 64 HG LEU 64 -2.779 -0.434 1.333 290 1HD1 LEU 64 1HD1 LEU 64 -2.375 0.667 -0.817 291 2HD1 LEU 64 2HD1 LEU 64 -0.875 1.377 -0.161 292 3HD1 LEU 64 3HD1 LEU 64 -1.055 -0.384 -0.340 293 1HD2 LEU 64 1HD2 LEU 64 -0.387 1.132 2.376 294 2HD2 LEU 64 2HD2 LEU 64 -1.450 0.076 3.333 295 3HD2 LEU 64 3HD2 LEU 64 -0.436 -0.615 2.063 296 H THR 65 H THR 65 -3.782 3.183 4.689 297 HA THR 65 HA THR 65 -6.313 4.553 4.041 298 HB THR 65 HB THR 65 -6.807 4.717 6.412 299 HG1 THR 65 1HG THR 65 -5.157 4.598 7.634 300 1HG2 THR 65 1HG2 THR 65 -6.059 1.817 5.615 301 2HG2 THR 65 2HG2 THR 65 -7.168 2.259 6.876 302 3HG2 THR 65 3HG2 THR 65 -7.570 2.644 5.192 303 H ARG 66 H ARG 66 -6.223 6.855 5.253 304 HA ARG 66 HA ARG 66 -4.066 8.243 4.052 305 1HB ARG 66 1HB ARG 66 -6.225 8.856 6.048 306 2HB ARG 66 2HB ARG 66 -4.837 9.960 5.991 307 1HG ARG 66 1HG ARG 66 -5.902 9.181 3.327 308 2HG ARG 66 2HG ARG 66 -7.081 10.044 4.327 309 1HD ARG 66 1HD ARG 66 -4.330 11.201 4.220 310 2HD ARG 66 2HD ARG 66 -5.236 11.295 2.702 311 HE ARG 66 HE ARG 66 -6.993 12.167 4.722 312 1HH1 ARG 66 2HH2 ARG 66 -3.760 13.224 3.872 313 2HH1 ARG 66 1HH2 ARG 66 -4.134 14.896 3.741 314 1HH2 ARG 66 2HH1 ARG 66 -7.435 14.341 5.025 315 2HH2 ARG 66 1HH1 ARG 66 -6.338 15.583 4.517 316 H ALA 67 H ALA 67 -4.375 6.937 7.346 317 HA ALA 67 HA ALA 67 -1.918 8.129 8.295 318 1HB ALA 67 1HB ALA 67 -3.629 7.195 9.813 319 2HB ALA 67 2HB ALA 67 -3.265 5.551 9.211 320 3HB ALA 67 3HB ALA 67 -2.031 6.483 10.083 321 H GLN 68 H GLN 68 -2.698 4.885 6.906 322 HA GLN 68 HA GLN 68 -0.175 3.707 7.365 323 1HB GLN 68 1HB GLN 68 -2.118 3.244 5.075 324 2HB GLN 68 2HB GLN 68 -0.810 2.154 5.535 325 1HG GLN 68 1HG GLN 68 -2.674 2.784 7.732 326 2HG GLN 68 2HG GLN 68 -3.428 1.965 6.338 327 1HE2 GLN 68 1HE2 GLN 68 -3.225 -0.227 6.113 328 2HE2 GLN 68 2HE2 GLN 68 -2.315 -1.187 7.221 329 H LEU 69 H LEU 69 -1.374 5.554 4.585 330 HA LEU 69 HA LEU 69 1.032 5.309 3.020 331 1HB LEU 69 1HB LEU 69 -1.327 7.212 2.833 332 2HB LEU 69 2HB LEU 69 -0.070 6.970 1.595 333 HG LEU 69 HG LEU 69 -1.806 4.755 2.647 334 1HD1 LEU 69 1HD1 LEU 69 -3.214 6.454 1.555 335 2HD1 LEU 69 2HD1 LEU 69 -2.179 6.420 0.110 336 3HD1 LEU 69 3HD1 LEU 69 -3.131 4.991 0.556 337 1HD2 LEU 69 1HD2 LEU 69 0.106 4.977 0.287 338 2HD2 LEU 69 2HD2 LEU 69 0.143 3.818 1.626 339 3HD2 LEU 69 3HD2 LEU 69 -1.117 3.701 0.394 340 H ALA 70 H ALA 70 -0.358 8.048 4.985 341 HA ALA 70 HA ALA 70 1.841 9.788 4.473 342 1HB ALA 70 1HB ALA 70 1.062 10.954 6.535 343 2HB ALA 70 2HB ALA 70 -0.286 10.554 5.454 344 3HB ALA 70 3HB ALA 70 0.011 9.580 6.918 345 H SER 71 H SER 71 1.506 6.984 6.562 346 HA SER 71 HA SER 71 3.675 7.530 8.379 347 1HB SER 71 1HB SER 71 2.036 5.964 9.028 348 2HB SER 71 2HB SER 71 2.241 5.008 7.542 349 HG SER 71 HG SER 71 4.287 5.324 9.489 350 H MET 72 H MET 72 3.507 5.390 5.496 351 HA MET 72 HA MET 72 6.352 4.981 5.280 352 1HB MET 72 1HB MET 72 5.853 4.106 3.021 353 2HB MET 72 2HB MET 72 4.814 3.345 4.217 354 1HG MET 72 1HG MET 72 3.009 4.868 3.681 355 2HG MET 72 2HG MET 72 4.060 5.736 2.560 356 1HE MET 72 1HE MET 72 3.322 1.841 3.009 357 2HE MET 72 2HE MET 72 1.818 2.768 3.287 358 3HE MET 72 3HE MET 72 1.970 1.714 1.864 359 H GLY 73 H GLY 73 4.833 7.943 4.998 360 1HA GLY 73 1HA GLY 73 5.883 9.880 4.406 361 2HA GLY 73 2HA GLY 73 7.137 8.967 3.563 362 H LEU 74 H LEU 74 4.010 8.011 2.595 363 HA LEU 74 HA LEU 74 4.185 9.168 -0.052 364 1HB LEU 74 1HB LEU 74 3.106 7.086 0.172 365 2HB LEU 74 2HB LEU 74 2.054 7.656 1.468 366 HG LEU 74 HG LEU 74 0.928 7.247 -0.648 367 1HD1 LEU 74 1HD1 LEU 74 -0.675 8.554 -0.046 368 2HD1 LEU 74 2HD1 LEU 74 0.413 9.266 1.147 369 3HD1 LEU 74 3HD1 LEU 74 0.204 10.008 -0.461 370 1HD2 LEU 74 1HD2 LEU 74 2.987 8.406 -1.894 371 2HD2 LEU 74 2HD2 LEU 74 1.448 8.166 -2.637 372 3HD2 LEU 74 3HD2 LEU 74 1.827 9.754 -1.930 373 H ASN 75 H ASN 75 3.255 10.887 -0.812 374 HA ASN 75 HA ASN 75 2.372 12.988 1.054 375 1HB ASN 75 1HB ASN 75 4.106 13.320 -0.814 376 2HB ASN 75 2HB ASN 75 2.755 13.298 -1.945 377 1HD2 ASN 75 1HD2 ASN 75 4.455 15.640 -1.459 378 2HD2 ASN 75 2HD2 ASN 75 3.458 16.829 -0.678 379 H THR 76 H THR 76 0.147 12.282 1.609 380 HA THR 76 HA THR 76 -1.763 11.657 -0.317 381 HB THR 76 HB THR 76 -3.337 12.323 1.515 382 HG1 THR 76 1HG THR 76 -2.075 14.017 2.527 383 1HG2 THR 76 1HG2 THR 76 -0.919 10.707 2.469 384 2HG2 THR 76 2HG2 THR 76 -2.575 10.585 3.084 385 3HG2 THR 76 3HG2 THR 76 -2.213 10.088 1.428 386 H ALA 77 H ALA 77 -0.202 14.753 0.161 387 HA ALA 77 HA ALA 77 -2.534 16.244 -0.852 388 1HB ALA 77 1HB ALA 77 -1.345 18.173 -0.308 389 2HB ALA 77 2HB ALA 77 -0.983 17.072 1.041 390 3HB ALA 77 3HB ALA 77 0.220 17.337 -0.242 391 H SER 78 H SER 78 0.301 14.600 -2.158 392 HA SER 78 HA SER 78 0.632 16.421 -4.403 393 1HB SER 78 1HB SER 78 1.432 13.531 -4.027 394 2HB SER 78 2HB SER 78 1.778 14.535 -5.472 395 HG SER 78 HG SER 78 3.537 14.720 -4.282 396 H VAL 79 H VAL 79 -1.696 13.751 -3.609 397 HA VAL 79 HA VAL 79 -2.434 13.626 -6.410 398 HB VAL 79 HB VAL 79 -3.598 11.949 -4.184 399 1HG1 VAL 79 1HG1 VAL 79 -4.415 11.752 -6.533 400 2HG1 VAL 79 2HG1 VAL 79 -2.779 11.305 -7.044 401 3HG1 VAL 79 3HG1 VAL 79 -3.695 10.248 -5.938 402 1HG2 VAL 79 1HG2 VAL 79 -1.679 10.351 -4.683 403 2HG2 VAL 79 2HG2 VAL 79 -0.777 11.786 -5.207 404 3HG2 VAL 79 3HG2 VAL 79 -1.354 11.692 -3.540 405 H ALA 80 H ALA 80 -3.967 14.976 -7.087 406 HA ALA 80 HA ALA 80 -5.847 16.405 -5.475 407 1HB ALA 80 1HB ALA 80 -5.823 15.616 -8.425 408 2HB ALA 80 2HB ALA 80 -6.999 16.723 -7.690 409 3HB ALA 80 3HB ALA 80 -5.278 17.151 -7.715 410 H GLY 81 H GLY 81 -7.230 15.327 -4.177 411 1HA GLY 81 1HA GLY 81 -9.329 14.180 -4.009 412 2HA GLY 81 2HA GLY 81 -8.909 13.171 -5.379 413 H MET 82 H MET 82 -6.207 13.413 -3.189 414 HA MET 82 HA MET 82 -7.087 10.923 -1.770 415 1HB MET 82 1HB MET 82 -4.923 10.736 -2.846 416 2HB MET 82 2HB MET 82 -4.316 12.114 -1.933 417 1HG MET 82 1HG MET 82 -4.564 10.951 0.151 418 2HG MET 82 2HG MET 82 -5.529 9.667 -0.591 419 1HE MET 82 1HE MET 82 -3.510 8.981 -3.312 420 2HE MET 82 2HE MET 82 -3.070 7.481 -2.471 421 3HE MET 82 3HE MET 82 -4.723 8.131 -2.338 422 H ASN 83 H ASN 83 -6.170 14.281 -1.294 423 HA ASN 83 HA ASN 83 -5.781 14.182 1.511 424 1HB ASN 83 1HB ASN 83 -5.760 16.634 1.306 425 2HB ASN 83 2HB ASN 83 -4.695 15.826 0.144 426 1HD2 ASN 83 1HD2 ASN 83 -6.933 18.301 0.479 427 2HD2 ASN 83 2HD2 ASN 83 -7.391 18.413 -1.211 428 H LEU 84 H LEU 84 -8.588 13.295 0.352 429 HA LEU 84 HA LEU 84 -10.153 14.655 2.403 430 1HB LEU 84 1HB LEU 84 -12.098 14.266 0.748 431 2HB LEU 84 2HB LEU 84 -11.126 15.748 0.770 432 HG LEU 84 HG LEU 84 -11.690 14.901 -1.454 433 1HD1 LEU 84 1HD1 LEU 84 -8.732 14.725 -1.461 434 2HD1 LEU 84 2HD1 LEU 84 -9.819 15.760 -2.383 435 3HD1 LEU 84 3HD1 LEU 84 -9.458 16.138 -0.683 436 1HD2 LEU 84 1HD2 LEU 84 -9.731 12.626 -1.002 437 2HD2 LEU 84 2HD2 LEU 84 -11.501 12.449 -0.913 438 3HD2 LEU 84 3HD2 LEU 84 -10.749 12.951 -2.421 439 H LEU 85 H LEU 85 -8.740 11.780 1.613 440 HA LEU 85 HA LEU 85 -10.968 9.925 1.864 441 1HB LEU 85 1HB LEU 85 -7.968 9.884 1.749 442 2HB LEU 85 2HB LEU 85 -8.728 8.485 2.532 443 HG LEU 85 HG LEU 85 -8.096 8.265 0.123 444 1HD1 LEU 85 1HD1 LEU 85 -9.656 6.678 1.204 445 2HD1 LEU 85 2HD1 LEU 85 -11.016 7.752 0.807 446 3HD1 LEU 85 3HD1 LEU 85 -10.110 6.963 -0.489 447 1HD2 LEU 85 1HD2 LEU 85 -9.451 9.012 -1.623 448 2HD2 LEU 85 2HD2 LEU 85 -10.511 9.897 -0.510 449 3HD2 LEU 85 3HD2 LEU 85 -8.837 10.407 -0.709 450 H ALA 86 H ALA 86 -11.350 8.512 3.680 451 HA ALA 86 HA ALA 86 -11.075 9.693 6.262 452 1HB ALA 86 1HB ALA 86 -12.183 7.780 7.112 453 2HB ALA 86 2HB ALA 86 -12.866 7.972 5.490 454 3HB ALA 86 3HB ALA 86 -11.603 6.743 5.843 455 H ASP 87 H ASP 87 -10.324 8.366 8.118 456 HA ASP 87 HA ASP 87 -7.537 7.624 7.980 457 1HB ASP 87 1HB ASP 87 -9.320 8.451 9.986 458 2HB ASP 87 2HB ASP 87 -8.948 6.785 10.416 459 HD2 ASP 87 HD ASP 87 -5.493 7.633 10.830 460 H ASP 88 H ASP 88 -10.262 5.832 6.948 461 HA ASP 88 HA ASP 88 -8.737 3.440 7.170 462 1HB ASP 88 1HB ASP 88 -11.041 2.482 8.196 463 2HB ASP 88 2HB ASP 88 -9.650 3.077 9.114 464 HD2 ASP 88 HD ASP 88 -11.810 5.116 10.834 465 H ALA 89 H ALA 89 -9.657 4.995 4.964 466 HA ALA 89 HA ALA 89 -12.136 3.713 4.146 467 1HB ALA 89 1HB ALA 89 -12.326 5.973 4.047 468 2HB ALA 89 2HB ALA 89 -10.658 6.223 3.440 469 3HB ALA 89 3HB ALA 89 -11.958 5.643 2.360 470 H CYS 90 H CYS 90 -9.466 2.355 3.713 471 HA CYS 90 HA CYS 90 -8.246 1.292 2.012 472 1HB CYS 90 1HB CYS 90 -11.045 1.154 0.870 473 2HB CYS 90 2HB CYS 90 -9.674 0.165 0.354 474 HG CYS 90 HG CYS 90 -11.417 -1.313 1.637 475 H VAL 91 H VAL 91 -7.696 3.895 1.713 476 HA VAL 91 HA VAL 91 -8.209 5.446 -0.430 477 HB VAL 91 HB VAL 91 -5.470 4.646 0.649 478 1HG1 VAL 91 1HG1 VAL 91 -6.414 7.071 -0.928 479 2HG1 VAL 91 2HG1 VAL 91 -4.913 7.054 0.008 480 3HG1 VAL 91 3HG1 VAL 91 -5.123 5.915 -1.319 481 1HG2 VAL 91 1HG2 VAL 91 -5.629 6.403 2.254 482 2HG2 VAL 91 2HG2 VAL 91 -7.124 7.036 1.572 483 3HG2 VAL 91 3HG2 VAL 91 -7.158 5.504 2.427 484 HA PRO 92 HA PRO 92 -7.430 2.295 -3.517 485 1HB PRO 92 1HB PRO 92 -8.241 3.553 -5.775 486 2HB PRO 92 2HB PRO 92 -9.370 3.022 -4.510 487 1HG PRO 92 1HG PRO 92 -8.123 5.778 -4.881 488 2HG PRO 92 2HG PRO 92 -9.860 5.367 -4.713 489 1HD PRO 92 1HD PRO 92 -8.341 6.165 -2.570 490 2HD PRO 92 2HD PRO 92 -9.576 4.886 -2.388 491 H LEU 93 H LEU 93 -5.069 2.731 -2.869 492 HA LEU 93 HA LEU 93 -3.520 4.707 -4.113 493 1HB LEU 93 1HB LEU 93 -2.783 3.302 -2.196 494 2HB LEU 93 2HB LEU 93 -2.620 1.921 -3.291 495 HG LEU 93 HG LEU 93 -1.029 3.598 -4.643 496 1HD1 LEU 93 1HD1 LEU 93 -1.654 5.560 -3.193 497 2HD1 LEU 93 2HD1 LEU 93 -0.828 4.773 -1.848 498 3HD1 LEU 93 3HD1 LEU 93 0.082 5.249 -3.297 499 1HD2 LEU 93 1HD2 LEU 93 0.915 2.833 -3.405 500 2HD2 LEU 93 2HD2 LEU 93 -0.092 2.402 -2.009 501 3HD2 LEU 93 3HD2 LEU 93 -0.251 1.524 -3.554 502 H THR 94 H THR 94 -4.103 1.334 -5.174 503 HA THR 94 HA THR 94 -2.764 1.704 -7.730 504 HB THR 94 HB THR 94 -3.131 -0.759 -7.845 505 HG1 THR 94 1HG THR 94 -5.109 -0.717 -6.461 506 1HG2 THR 94 1HG2 THR 94 -1.769 -1.412 -5.969 507 2HG2 THR 94 2HG2 THR 94 -1.156 -0.006 -6.842 508 3HG2 THR 94 3HG2 THR 94 -1.903 0.228 -5.270 509 H THR 95 H THR 95 -5.270 3.257 -7.087 510 HA THR 95 HA THR 95 -6.134 3.043 -9.876 511 HB THR 95 HB THR 95 -8.147 3.086 -7.617 512 HG1 THR 95 1HG THR 95 -8.656 1.082 -9.083 513 1HG2 THR 95 1HG2 THR 95 -9.879 2.733 -9.323 514 2HG2 THR 95 2HG2 THR 95 -9.145 4.313 -9.395 515 3HG2 THR 95 3HG2 THR 95 -8.667 3.076 -10.577 516 H MET 96 H MET 96 -4.983 4.986 -7.320 517 HA MET 96 HA MET 96 -5.704 7.363 -8.968 518 1HB MET 96 1HB MET 96 -6.309 7.096 -6.297 519 2HB MET 96 2HB MET 96 -4.768 7.969 -6.239 520 1HG MET 96 1HG MET 96 -5.736 9.520 -8.004 521 2HG MET 96 2HG MET 96 -7.287 8.719 -7.747 522 1HE MET 96 1HE MET 96 -5.695 8.975 -4.231 523 2HE MET 96 2HE MET 96 -7.086 9.847 -3.608 524 3HE MET 96 3HE MET 96 -7.357 8.366 -4.543 525 H VAL 97 H VAL 97 -3.114 5.379 -7.885 526 HA VAL 97 HA VAL 97 -1.172 7.555 -8.421 527 HB VAL 97 HB VAL 97 -0.846 5.206 -6.528 528 1HG1 VAL 97 1HG1 VAL 97 0.911 7.639 -7.047 529 2HG1 VAL 97 2HG1 VAL 97 1.189 6.395 -5.813 530 3HG1 VAL 97 3HG1 VAL 97 1.271 6.021 -7.548 531 1HG2 VAL 97 1HG2 VAL 97 -0.869 7.033 -4.769 532 2HG2 VAL 97 2HG2 VAL 97 -1.593 8.093 -5.981 533 3HG2 VAL 97 3HG2 VAL 97 -2.437 6.621 -5.481 534 H GLN 98 H GLN 98 -0.970 7.178 -10.586 535 HA GLN 98 HA GLN 98 -0.492 4.580 -11.727 536 1HB GLN 98 1HB GLN 98 -1.295 6.847 -12.807 537 2HB GLN 98 2HB GLN 98 0.436 7.239 -12.890 538 1HG GLN 98 1HG GLN 98 -0.077 6.277 -14.983 539 2HG GLN 98 2HG GLN 98 0.742 4.990 -14.105 540 1HE2 GLN 98 1HE2 GLN 98 -0.394 3.015 -13.795 541 2HE2 GLN 98 2HE2 GLN 98 -2.067 2.816 -14.280 542 H ASP 99 H ASP 99 1.446 3.487 -11.782 543 HA ASP 99 HA ASP 99 3.683 3.092 -11.966 544 1HB ASP 99 1HB ASP 99 4.207 5.582 -12.140 545 2HB ASP 99 2HB ASP 99 4.338 5.582 -10.382 546 HD2 ASP 99 HD ASP 99 7.105 3.519 -12.387 547 H ALA 100 H ALA 100 1.638 3.659 -9.320 548 HA ALA 100 HA ALA 100 3.467 2.341 -7.391 549 1HB ALA 100 1HB ALA 100 0.869 3.878 -7.144 550 2HB ALA 100 2HB ALA 100 1.485 2.893 -5.817 551 3HB ALA 100 3HB ALA 100 2.392 4.307 -6.447 552 H THR 101 H THR 101 2.654 0.524 -6.215 553 HA THR 101 HA THR 101 0.465 -1.108 -7.365 554 HB THR 101 HB THR 101 2.270 -2.940 -7.553 555 HG1 THR 101 1HG THR 101 4.451 -2.034 -7.818 556 1HG2 THR 101 1HG2 THR 101 3.005 -2.353 -9.774 557 2HG2 THR 101 2HG2 THR 101 1.372 -1.710 -9.578 558 3HG2 THR 101 3HG2 THR 101 2.779 -0.628 -9.480 559 H ALA 102 H ALA 102 0.154 -3.029 -5.944 560 HA ALA 102 HA ALA 102 1.744 -3.231 -3.476 561 1HB ALA 102 1HB ALA 102 -0.266 -1.972 -2.813 562 2HB ALA 102 2HB ALA 102 -1.312 -3.183 -3.597 563 3HB ALA 102 3HB ALA 102 -0.338 -3.631 -2.189 564 H HIS 103 H HIS 103 2.615 -5.259 -3.655 565 HA HIS 103 HA HIS 103 0.954 -7.520 -4.702 566 1HB HIS 103 1HB HIS 103 2.528 -7.365 -6.357 567 2HB HIS 103 2HB HIS 103 3.771 -6.674 -5.300 568 HD1 HIS 103 1HD HIS 103 5.688 -8.275 -5.865 569 HD2 HIS 103 2HD HIS 103 2.131 -10.227 -4.687 570 HE1 HIS 103 1HE HIS 103 6.245 -10.775 -5.587 571 HE2 HIS 103 2HE HIS 103 4.079 -11.948 -4.903 572 H LEU 104 H LEU 104 0.451 -8.688 -3.002 573 HA LEU 104 HA LEU 104 2.057 -8.838 -0.502 574 1HB LEU 104 1HB LEU 104 -0.190 -8.616 -0.062 575 2HB LEU 104 2HB LEU 104 -0.694 -9.748 -1.304 576 HG LEU 104 HG LEU 104 -0.596 -10.260 1.247 577 1HD1 LEU 104 1HD1 LEU 104 -1.648 -11.654 -0.446 578 2HD1 LEU 104 2HD1 LEU 104 -0.089 -12.444 -0.761 579 3HD1 LEU 104 3HD1 LEU 104 -0.877 -12.587 0.830 580 1HD2 LEU 104 1HD2 LEU 104 2.061 -11.376 0.692 581 2HD2 LEU 104 2HD2 LEU 104 1.666 -9.944 1.651 582 3HD2 LEU 104 3HD2 LEU 104 1.058 -11.552 2.127 583 H ASP 105 H ASP 105 3.870 -9.944 -1.098 584 HA ASP 105 HA ASP 105 3.793 -12.446 -2.610 585 1HB ASP 105 1HB ASP 105 5.723 -10.719 -2.509 586 2HB ASP 105 2HB ASP 105 6.060 -11.353 -0.899 587 HD2 ASP 105 HD ASP 105 6.601 -14.586 -2.712 588 H VAL 106 H VAL 106 2.110 -13.529 -1.133 589 HA VAL 106 HA VAL 106 2.536 -13.677 1.615 590 HB VAL 106 HB VAL 106 0.537 -14.459 0.087 591 1HG1 VAL 106 1HG1 VAL 106 1.677 -16.438 -0.910 592 2HG1 VAL 106 2HG1 VAL 106 1.707 -17.180 0.706 593 3HG1 VAL 106 3HG1 VAL 106 0.159 -16.795 -0.082 594 1HG2 VAL 106 1HG2 VAL 106 0.471 -14.103 2.489 595 2HG2 VAL 106 2HG2 VAL 106 -0.390 -15.592 2.072 596 3HG2 VAL 106 3HG2 VAL 106 1.242 -15.677 2.773 597 H GLY 107 H GLY 107 4.054 -15.577 -0.984 598 1HA GLY 107 1HA GLY 107 5.084 -17.653 0.555 599 2HA GLY 107 2HA GLY 107 5.872 -16.985 -0.894 600 H GLN 108 H GLN 108 6.330 -14.327 0.066 601 HA GLN 108 HA GLN 108 8.597 -14.905 1.879 602 1HB GLN 108 1HB GLN 108 8.050 -12.450 0.176 603 2HB GLN 108 2HB GLN 108 9.558 -12.844 1.031 604 1HG GLN 108 1HG GLN 108 8.383 -14.165 -1.412 605 2HG GLN 108 2HG GLN 108 9.951 -13.380 -1.262 606 1HE2 GLN 108 1HE2 GLN 108 11.569 -14.530 0.241 607 2HE2 GLN 108 2HE2 GLN 108 11.474 -16.302 0.223 608 H GLN 109 H GLN 109 5.518 -13.962 2.387 609 HA GLN 109 HA GLN 109 4.391 -12.640 3.691 610 1HB GLN 109 1HB GLN 109 6.738 -12.982 5.583 611 2HB GLN 109 2HB GLN 109 5.248 -12.103 5.998 612 1HG GLN 109 1HG GLN 109 4.120 -14.376 5.191 613 2HG GLN 109 2HG GLN 109 5.717 -15.037 5.604 614 1HE2 GLN 109 1HE2 GLN 109 2.894 -13.169 6.987 615 2HE2 GLN 109 2HE2 GLN 109 3.100 -13.854 8.559 616 H ARG 110 H ARG 110 5.562 -11.372 1.601 617 HA ARG 110 HA ARG 110 6.566 -8.807 2.767 618 1HB ARG 110 1HB ARG 110 8.369 -10.204 1.757 619 2HB ARG 110 2HB ARG 110 7.564 -10.012 0.191 620 1HG ARG 110 1HG ARG 110 7.503 -7.448 0.914 621 2HG ARG 110 2HG ARG 110 8.822 -7.914 1.986 622 1HD ARG 110 1HD ARG 110 9.047 -8.752 -0.874 623 2HD ARG 110 2HD ARG 110 9.123 -6.998 -0.516 624 HE ARG 110 HE ARG 110 10.891 -8.524 1.156 625 1HH1 ARG 110 2HH2 ARG 110 10.509 -7.511 -2.211 626 2HH1 ARG 110 1HH2 ARG 110 12.212 -7.575 -2.545 627 1HH2 ARG 110 2HH1 ARG 110 13.107 -8.177 0.853 628 2HH2 ARG 110 1HH1 ARG 110 13.748 -7.720 -0.694 629 H LEU 111 H LEU 111 5.043 -7.325 2.545 630 HA LEU 111 HA LEU 111 3.337 -7.351 0.147 631 1HB LEU 111 1HB LEU 111 2.137 -6.986 2.136 632 2HB LEU 111 2HB LEU 111 3.244 -5.732 2.693 633 HG LEU 111 HG LEU 111 2.462 -4.210 1.033 634 1HD1 LEU 111 1HD1 LEU 111 0.616 -4.820 -0.578 635 2HD1 LEU 111 2HD1 LEU 111 2.136 -5.613 -0.952 636 3HD1 LEU 111 3HD1 LEU 111 0.838 -6.523 -0.139 637 1HD2 LEU 111 1HD2 LEU 111 0.026 -5.678 2.102 638 2HD2 LEU 111 2HD2 LEU 111 1.069 -4.629 3.070 639 3HD2 LEU 111 3HD2 LEU 111 0.168 -3.940 1.715 640 H ASN 112 H ASN 112 4.968 -7.126 -1.275 641 HA ASN 112 HA ASN 112 6.966 -5.034 -1.418 642 1HB ASN 112 1HB ASN 112 5.586 -6.799 -3.468 643 2HB ASN 112 2HB ASN 112 6.717 -5.490 -3.925 644 1HD2 ASN 112 1HD2 ASN 112 6.455 -8.797 -2.938 645 2HD2 ASN 112 2HD2 ASN 112 8.158 -9.124 -3.054 646 H LEU 113 H LEU 113 6.613 -2.908 -1.921 647 HA LEU 113 HA LEU 113 4.129 -2.100 -3.271 648 1HB LEU 113 1HB LEU 113 4.743 -1.826 -0.450 649 2HB LEU 113 2HB LEU 113 4.924 -0.223 -1.202 650 HG LEU 113 HG LEU 113 2.553 -1.234 -2.208 651 1HD1 LEU 113 1HD1 LEU 113 2.444 -3.046 -0.816 652 2HD1 LEU 113 2HD1 LEU 113 2.418 -1.979 0.619 653 3HD1 LEU 113 3HD1 LEU 113 1.095 -1.936 -0.560 654 1HD2 LEU 113 1HD2 LEU 113 1.399 0.497 -1.080 655 2HD2 LEU 113 2HD2 LEU 113 2.726 0.675 0.082 656 3HD2 LEU 113 3HD2 LEU 113 2.969 1.096 -1.629 657 H THR 114 H THR 114 4.373 -0.004 -4.319 658 HA THR 114 HA THR 114 7.016 1.271 -4.261 659 HB THR 114 HB THR 114 5.640 0.348 -6.849 660 HG1 THR 114 1HG THR 114 8.036 -0.714 -5.771 661 1HG2 THR 114 1HG2 THR 114 7.762 0.993 -7.947 662 2HG2 THR 114 2HG2 THR 114 7.000 2.361 -7.173 663 3HG2 THR 114 3HG2 THR 114 8.394 1.585 -6.394 664 H ILE 115 H ILE 115 6.811 3.443 -5.039 665 HA ILE 115 HA ILE 115 4.327 4.377 -6.126 666 HB ILE 115 HB ILE 115 5.278 5.199 -3.377 667 1HG1 ILE 115 1HG1 ILE 115 2.549 4.500 -4.293 668 2HG1 ILE 115 2HG1 ILE 115 3.668 3.600 -3.218 669 1HG2 ILE 115 1HG2 ILE 115 3.324 6.996 -4.777 670 2HG2 ILE 115 2HG2 ILE 115 4.254 7.274 -3.294 671 3HG2 ILE 115 3HG2 ILE 115 5.078 7.301 -4.807 672 1HD1 ILE 115 1HD1 ILE 115 3.607 5.619 -1.663 673 2HD1 ILE 115 2HD1 ILE 115 2.254 6.182 -2.655 674 3HD1 ILE 115 3HD1 ILE 115 2.108 4.649 -1.770 675 HA PRO 116 HA PRO 116 7.299 6.696 -8.433 676 1HB PRO 116 1HB PRO 116 5.785 8.895 -9.126 677 2HB PRO 116 2HB PRO 116 5.652 7.317 -9.921 678 1HG PRO 116 1HG PRO 116 3.963 8.464 -7.697 679 2HG PRO 116 2HG PRO 116 3.386 7.613 -9.151 680 1HD PRO 116 1HD PRO 116 3.615 6.379 -6.765 681 2HD PRO 116 2HD PRO 116 4.029 5.506 -8.249 682 H GLN 117 H GLN 117 8.751 8.273 -8.014 683 HA GLN 117 HA GLN 117 9.063 9.370 -5.457 684 1HB GLN 117 1HB GLN 117 10.361 9.961 -8.078 685 2HB GLN 117 2HB GLN 117 10.665 11.066 -6.713 686 1HG GLN 117 1HG GLN 117 11.118 8.063 -6.639 687 2HG GLN 117 2HG GLN 117 12.365 9.310 -6.920 688 1HE2 GLN 117 1HE2 GLN 117 10.903 7.393 -4.536 689 2HE2 GLN 117 2HE2 GLN 117 11.467 8.309 -3.131 690 H ALA 118 H ALA 118 7.357 10.826 -8.148 691 HA ALA 118 HA ALA 118 7.069 13.471 -7.241 692 1HB ALA 118 1HB ALA 118 4.869 13.228 -8.585 693 2HB ALA 118 2HB ALA 118 6.401 12.906 -9.432 694 3HB ALA 118 3HB ALA 118 5.388 11.557 -8.881 695 H PHE 119 H PHE 119 5.438 10.480 -5.897 696 HA PHE 119 HA PHE 119 3.454 12.262 -4.583 697 1HB PHE 119 1HB PHE 119 3.665 9.292 -5.131 698 2HB PHE 119 2HB PHE 119 2.393 10.033 -4.152 699 HD1 PHE 119 1HD PHE 119 3.727 10.858 -7.653 700 HD2 PHE 119 2HD PHE 119 0.393 9.675 -5.217 701 HE1 PHE 119 1HE PHE 119 2.297 10.847 -9.620 702 HE2 PHE 119 2HE PHE 119 -1.071 9.750 -7.243 703 HZ PHE 119 HZ PHE 119 -0.096 10.220 -9.468 704 H MET 120 H MET 120 6.291 12.354 -3.739 705 HA MET 120 HA MET 120 6.162 10.918 -1.123 706 1HB MET 120 1HB MET 120 8.554 11.258 -2.953 707 2HB MET 120 2HB MET 120 8.604 10.521 -1.331 708 1HG MET 120 1HG MET 120 6.560 9.268 -2.955 709 2HG MET 120 2HG MET 120 8.143 9.224 -3.730 710 1HE MET 120 1HE MET 120 6.450 8.935 -0.209 711 2HE MET 120 2HE MET 120 5.772 7.687 -1.281 712 3HE MET 120 3HE MET 120 6.731 7.222 0.137 713 H SER 121 H SER 121 6.160 12.275 0.490 714 HA SER 121 HA SER 121 6.510 15.098 0.098 715 1HB SER 121 1HB SER 121 6.515 13.659 2.753 716 2HB SER 121 2HB SER 121 5.920 15.283 2.406 717 HG SER 121 HG SER 121 4.555 13.110 2.556 718 H ASN 122 H ASN 122 8.566 12.494 1.367 719 HA ASN 122 HA ASN 122 10.945 14.179 1.604 720 1HB ASN 122 1HB ASN 122 9.470 12.844 3.891 721 2HB ASN 122 2HB ASN 122 11.255 12.907 3.929 722 1HD2 ASN 122 1HD2 ASN 122 8.357 14.782 4.521 723 2HD2 ASN 122 2HD2 ASN 122 9.248 16.289 4.792 724 H ARG 123 H ARG 123 12.751 12.462 2.291 725 HA ARG 123 HA ARG 123 13.442 10.453 0.776 726 1HB ARG 123 1HB ARG 123 13.963 8.979 2.928 727 2HB ARG 123 2HB ARG 123 14.891 10.441 2.578 728 1HG ARG 123 1HG ARG 123 13.934 11.616 4.350 729 2HG ARG 123 2HG ARG 123 12.464 10.606 4.381 730 1HD ARG 123 1HD ARG 123 13.770 10.153 6.337 731 2HD ARG 123 2HD ARG 123 13.709 8.733 5.291 732 HE ARG 123 HE ARG 123 16.068 10.594 5.267 733 1HH1 ARG 123 2HH2 ARG 123 15.040 7.238 5.294 734 2HH1 ARG 123 1HH2 ARG 123 16.330 6.627 6.213 735 1HH2 ARG 123 2HH1 ARG 123 18.066 9.762 6.213 736 2HH2 ARG 123 1HH1 ARG 123 18.165 8.048 6.474 737 H ALA 124 H ALA 124 10.994 9.841 3.286 738 HA ALA 124 HA ALA 124 9.488 8.198 3.613 739 1HB ALA 124 1HB ALA 124 8.519 9.302 1.682 740 2HB ALA 124 2HB ALA 124 9.530 8.319 0.596 741 3HB ALA 124 3HB ALA 124 8.273 7.546 1.551 742 H ARG 125 H ARG 125 12.442 7.349 3.236 743 HA ARG 125 HA ARG 125 11.996 4.891 4.165 744 1HB ARG 125 1HB ARG 125 13.372 3.564 2.370 745 2HB ARG 125 2HB ARG 125 11.614 3.761 2.165 746 1HG ARG 125 1HG ARG 125 12.816 4.031 0.066 747 2HG ARG 125 2HG ARG 125 11.966 5.515 0.506 748 1HD ARG 125 1HD ARG 125 14.076 6.533 1.234 749 2HD ARG 125 2HD ARG 125 14.947 5.021 0.922 750 HE ARG 125 HE ARG 125 13.775 5.504 -1.462 751 1HH1 ARG 125 2HH2 ARG 125 15.938 7.513 0.543 752 2HH1 ARG 125 1HH2 ARG 125 16.716 8.180 -0.871 753 1HH2 ARG 125 2HH1 ARG 125 14.560 6.682 -3.172 754 2HH2 ARG 125 1HH1 ARG 125 15.589 8.088 -2.927 Start of MODEL 13 1 1H GLY 25 H GLY 25 -4.776 -11.995 -14.065 2 1HA GLY 25 1HA GLY 25 -6.972 -10.958 -13.989 3 2HA GLY 25 2HA GLY 25 -7.098 -12.722 -13.923 4 H GLN 26 H GLN 26 -7.184 -13.719 -11.743 5 HA GLN 26 HA GLN 26 -7.706 -12.185 -9.477 6 1HB GLN 26 1HB GLN 26 -9.980 -11.869 -10.239 7 2HB GLN 26 2HB GLN 26 -10.136 -13.589 -10.670 8 1HG GLN 26 1HG GLN 26 -11.313 -13.198 -8.619 9 2HG GLN 26 2HG GLN 26 -9.918 -14.203 -8.262 10 1HE2 GLN 26 1HE2 GLN 26 -7.939 -12.952 -7.388 11 2HE2 GLN 26 2HE2 GLN 26 -8.241 -11.681 -6.263 12 H GLU 27 H GLU 27 -6.297 -13.418 -8.387 13 HA GLU 27 HA GLU 27 -6.464 -16.367 -8.396 14 1HB GLU 27 1HB GLU 27 -3.836 -16.012 -8.457 15 2HB GLU 27 2HB GLU 27 -4.807 -16.251 -9.924 16 1HG GLU 27 1HG GLU 27 -4.649 -13.425 -9.213 17 2HG GLU 27 2HG GLU 27 -3.053 -14.140 -9.301 18 HE2 GLU 27 HE GLU 27 -3.332 -13.889 -12.829 19 H LEU 28 H LEU 28 -7.173 -14.193 -6.460 20 HA LEU 28 HA LEU 28 -6.092 -15.524 -4.201 21 1HB LEU 28 1HB LEU 28 -4.484 -13.556 -5.357 22 2HB LEU 28 2HB LEU 28 -5.159 -12.731 -3.975 23 HG LEU 28 HG LEU 28 -3.545 -15.325 -4.014 24 1HD1 LEU 28 1HD1 LEU 28 -1.958 -13.686 -4.061 25 2HD1 LEU 28 2HD1 LEU 28 -2.949 -12.501 -3.212 26 3HD1 LEU 28 3HD1 LEU 28 -2.162 -13.823 -2.318 27 1HD2 LEU 28 1HD2 LEU 28 -5.250 -14.116 -1.863 28 2HD2 LEU 28 2HD2 LEU 28 -5.039 -15.806 -2.424 29 3HD2 LEU 28 3HD2 LEU 28 -3.789 -15.053 -1.444 30 HA PRO 29 HA PRO 29 -10.145 -13.658 -3.273 31 1HB PRO 29 1HB PRO 29 -10.951 -15.296 -1.305 32 2HB PRO 29 2HB PRO 29 -10.810 -15.881 -2.984 33 1HG PRO 29 1HG PRO 29 -8.767 -16.124 -0.749 34 2HG PRO 29 2HG PRO 29 -9.377 -17.438 -1.804 35 1HD PRO 29 1HD PRO 29 -7.049 -16.115 -2.307 36 2HD PRO 29 2HD PRO 29 -8.070 -16.661 -3.649 37 HA PRO 30 HA PRO 30 -8.999 -10.919 -0.157 38 1HB PRO 30 1HB PRO 30 -11.245 -9.907 0.949 39 2HB PRO 30 2HB PRO 30 -10.714 -9.645 -0.746 40 1HG PRO 30 1HG PRO 30 -12.714 -11.661 0.276 41 2HG PRO 30 2HG PRO 30 -12.855 -10.543 -1.124 42 1HD PRO 30 1HD PRO 30 -12.093 -13.185 -1.373 43 2HD PRO 30 2HD PRO 30 -11.470 -11.888 -2.431 44 H GLY 31 H GLY 31 -9.289 -10.144 2.311 45 1HA GLY 31 1HA GLY 31 -10.237 -11.345 4.433 46 2HA GLY 31 2HA GLY 31 -8.957 -12.510 4.034 47 H THR 32 H THR 32 -7.520 -12.071 5.755 48 HA THR 32 HA THR 32 -6.007 -9.616 5.277 49 HB THR 32 HB THR 32 -7.422 -9.299 7.369 50 HG1 THR 32 1HG THR 32 -5.947 -7.987 7.856 51 1HG2 THR 32 1HG2 THR 32 -6.403 -10.140 9.459 52 2HG2 THR 32 2HG2 THR 32 -7.186 -11.435 8.524 53 3HG2 THR 32 3HG2 THR 32 -5.407 -11.271 8.557 54 H TYR 33 H TYR 33 -3.869 -9.756 5.568 55 HA TYR 33 HA TYR 33 -2.644 -12.242 6.404 56 1HB TYR 33 1HB TYR 33 -0.774 -11.377 4.678 57 2HB TYR 33 2HB TYR 33 -1.910 -12.680 4.334 58 HD1 TYR 33 1HD TYR 33 -1.427 -8.969 3.771 59 HD2 TYR 33 2HD TYR 33 -2.961 -12.709 2.292 60 HE1 TYR 33 1HE TYR 33 -2.247 -7.798 1.763 61 HE2 TYR 33 2HE TYR 33 -3.583 -11.610 0.197 62 HH TYR 33 HH TYR 33 -3.344 -8.138 -0.428 63 H ARG 34 H ARG 34 -0.966 -11.598 7.823 64 HA ARG 34 HA ARG 34 -0.305 -8.710 7.908 65 1HB ARG 34 1HB ARG 34 1.105 -9.061 9.710 66 2HB ARG 34 2HB ARG 34 -0.462 -9.787 10.099 67 1HG ARG 34 1HG ARG 34 0.359 -11.996 9.750 68 2HG ARG 34 2HG ARG 34 1.850 -11.418 8.951 69 1HD ARG 34 1HD ARG 34 2.857 -10.743 10.816 70 2HD ARG 34 2HD ARG 34 1.337 -10.247 11.558 71 HE ARG 34 HE ARG 34 1.300 -12.999 11.125 72 1HH1 ARG 34 2HH2 ARG 34 2.745 -10.663 13.393 73 2HH1 ARG 34 1HH2 ARG 34 3.017 -11.852 14.639 74 1HH2 ARG 34 2HH1 ARG 34 1.784 -14.523 12.705 75 2HH2 ARG 34 1HH1 ARG 34 2.441 -14.096 14.267 76 H VAL 35 H VAL 35 1.803 -7.975 7.396 77 HA VAL 35 HA VAL 35 3.769 -9.762 6.537 78 HB VAL 35 HB VAL 35 3.739 -8.741 4.058 79 1HG1 VAL 35 1HG1 VAL 35 3.073 -11.165 4.829 80 2HG1 VAL 35 2HG1 VAL 35 1.510 -10.668 4.146 81 3HG1 VAL 35 3HG1 VAL 35 2.990 -10.600 3.159 82 1HG2 VAL 35 1HG2 VAL 35 1.924 -7.099 4.352 83 2HG2 VAL 35 2HG2 VAL 35 1.400 -8.350 3.188 84 3HG2 VAL 35 3HG2 VAL 35 0.767 -8.366 4.807 85 H ASP 36 H ASP 36 5.539 -8.384 5.329 86 HA ASP 36 HA ASP 36 5.885 -5.927 6.950 87 1HB ASP 36 1HB ASP 36 8.111 -6.880 5.246 88 2HB ASP 36 2HB ASP 36 8.078 -6.244 6.918 89 HD2 ASP 36 HD ASP 36 8.654 -10.016 6.567 90 H ILE 37 H ILE 37 5.216 -4.141 5.913 91 HA ILE 37 HA ILE 37 4.713 -4.032 3.048 92 HB ILE 37 HB ILE 37 4.646 -1.855 5.190 93 1HG1 ILE 37 1HG1 ILE 37 2.062 -2.267 4.490 94 2HG1 ILE 37 2HG1 ILE 37 2.666 -3.918 4.277 95 1HG2 ILE 37 1HG2 ILE 37 3.698 -1.892 2.281 96 2HG2 ILE 37 2HG2 ILE 37 3.245 -0.643 3.462 97 3HG2 ILE 37 3HG2 ILE 37 4.926 -0.839 2.990 98 1HD1 ILE 37 1HD1 ILE 37 1.654 -3.461 6.552 99 2HD1 ILE 37 2HD1 ILE 37 3.290 -4.073 6.610 100 3HD1 ILE 37 3HD1 ILE 37 2.975 -2.341 6.869 101 H TYR 38 H TYR 38 6.216 -3.401 1.506 102 HA TYR 38 HA TYR 38 8.882 -2.417 2.420 103 1HB TYR 38 1HB TYR 38 8.087 -4.921 1.161 104 2HB TYR 38 2HB TYR 38 9.260 -4.065 0.149 105 HD1 TYR 38 1HD TYR 38 8.752 -5.615 3.471 106 HD2 TYR 38 2HD TYR 38 11.529 -3.855 0.694 107 HE1 TYR 38 1HE TYR 38 10.642 -6.509 4.804 108 HE2 TYR 38 2HE TYR 38 13.424 -4.691 2.020 109 HH TYR 38 HH TYR 38 12.952 -6.694 4.947 110 H LEU 39 H LEU 39 8.404 -0.254 1.751 111 HA LEU 39 HA LEU 39 7.188 0.202 -0.914 112 1HB LEU 39 1HB LEU 39 6.544 1.592 1.091 113 2HB LEU 39 2HB LEU 39 8.225 2.175 1.144 114 HG LEU 39 HG LEU 39 7.787 2.923 -1.345 115 1HD1 LEU 39 1HD1 LEU 39 4.990 2.492 -0.223 116 2HD1 LEU 39 2HD1 LEU 39 5.364 3.457 -1.653 117 3HD1 LEU 39 3HD1 LEU 39 5.690 1.723 -1.679 118 1HD2 LEU 39 1HD2 LEU 39 6.276 4.379 0.843 119 2HD2 LEU 39 2HD2 LEU 39 8.028 4.489 0.591 120 3HD2 LEU 39 3HD2 LEU 39 6.902 5.031 -0.671 121 H ASN 40 H ASN 40 8.442 0.447 -2.655 122 HA ASN 40 HA ASN 40 10.232 0.834 -4.002 123 1HB ASN 40 1HB ASN 40 10.665 3.098 -2.054 124 2HB ASN 40 2HB ASN 40 11.523 2.902 -3.609 125 1HD2 ASN 40 1HD2 ASN 40 9.972 5.237 -3.076 126 2HD2 ASN 40 2HD2 ASN 40 8.609 5.186 -4.188 127 H ASN 41 H ASN 41 10.487 -1.205 -2.250 128 HA ASN 41 HA ASN 41 11.942 -2.847 -1.876 129 1HB ASN 41 1HB ASN 41 14.346 -1.165 -2.490 130 2HB ASN 41 2HB ASN 41 14.117 -2.915 -2.664 131 1HD2 ASN 41 1HD2 ASN 41 14.523 -0.192 -4.467 132 2HD2 ASN 41 2HD2 ASN 41 13.455 -0.501 -5.818 133 H GLY 42 H GLY 42 11.335 -0.488 0.159 134 1HA GLY 42 1HA GLY 42 13.366 -1.241 2.199 135 2HA GLY 42 2HA GLY 42 12.773 0.404 1.932 136 H TYR 43 H TYR 43 12.567 -1.938 4.050 137 HA TYR 43 HA TYR 43 9.870 -2.599 4.574 138 1HB TYR 43 1HB TYR 43 11.703 -3.772 5.537 139 2HB TYR 43 2HB TYR 43 12.421 -2.299 6.210 140 HD1 TYR 43 1HD TYR 43 8.858 -3.498 6.361 141 HD2 TYR 43 2HD TYR 43 12.521 -2.787 8.550 142 HE1 TYR 43 1HE TYR 43 7.663 -3.622 8.423 143 HE2 TYR 43 2HE TYR 43 11.278 -2.934 10.679 144 HH TYR 43 HH TYR 43 9.144 -3.359 11.655 145 H MET 44 H MET 44 8.201 -1.269 5.195 146 HA MET 44 HA MET 44 8.729 1.411 6.383 147 1HB MET 44 1HB MET 44 6.258 0.387 4.974 148 2HB MET 44 2HB MET 44 6.468 2.057 5.534 149 1HG MET 44 1HG MET 44 8.289 0.810 3.499 150 2HG MET 44 2HG MET 44 6.739 1.639 3.143 151 1HE MET 44 1HE MET 44 10.724 3.608 4.220 152 2HE MET 44 2HE MET 44 9.876 2.897 5.593 153 3HE MET 44 3HE MET 44 10.372 1.870 4.213 154 H ALA 45 H ALA 45 6.332 -1.304 6.760 155 HA ALA 45 HA ALA 45 6.475 -1.104 9.606 156 1HB ALA 45 1HB ALA 45 4.788 0.684 9.262 157 2HB ALA 45 2HB ALA 45 3.778 -0.447 8.304 158 3HB ALA 45 3HB ALA 45 4.064 -0.726 10.029 159 H THR 46 H THR 46 4.674 -2.805 10.478 160 HA THR 46 HA THR 46 4.362 -5.084 8.658 161 HB THR 46 HB THR 46 5.650 -5.400 11.415 162 HG1 THR 46 1HG THR 46 7.271 -4.596 10.249 163 1HG2 THR 46 1HG2 THR 46 4.367 -7.367 10.599 164 2HG2 THR 46 2HG2 THR 46 5.293 -7.346 9.084 165 3HG2 THR 46 3HG2 THR 46 6.097 -7.707 10.618 166 H ARG 47 H ARG 47 2.301 -5.881 9.085 167 HA ARG 47 HA ARG 47 1.114 -6.230 11.529 168 1HB ARG 47 1HB ARG 47 -0.742 -4.458 11.323 169 2HB ARG 47 2HB ARG 47 0.787 -4.011 12.102 170 1HG ARG 47 1HG ARG 47 0.510 -2.155 10.856 171 2HG ARG 47 2HG ARG 47 1.294 -3.102 9.578 172 1HD ARG 47 1HD ARG 47 -0.612 -1.907 8.735 173 2HD ARG 47 2HD ARG 47 -0.784 -3.671 8.581 174 HE ARG 47 HE ARG 47 -2.566 -3.662 9.933 175 1HH1 ARG 47 2HH2 ARG 47 -1.235 -0.349 10.147 176 2HH1 ARG 47 1HH2 ARG 47 -2.406 0.154 11.334 177 1HH2 ARG 47 2HH1 ARG 47 -4.163 -2.947 11.309 178 2HH2 ARG 47 1HH1 ARG 47 -4.250 -1.325 11.864 179 H ASP 48 H ASP 48 -1.349 -6.420 11.173 180 HA ASP 48 HA ASP 48 -1.841 -8.162 8.974 181 1HB ASP 48 1HB ASP 48 -3.853 -6.761 10.754 182 2HB ASP 48 2HB ASP 48 -4.205 -8.108 9.669 183 HD2 ASP 48 HD ASP 48 -2.464 -8.774 13.169 184 H VAL 49 H VAL 49 -2.165 -7.326 6.852 185 HA VAL 49 HA VAL 49 -3.185 -4.545 6.576 186 HB VAL 49 HB VAL 49 -1.732 -5.992 4.350 187 1HG1 VAL 49 1HG1 VAL 49 -3.079 -3.868 3.982 188 2HG1 VAL 49 2HG1 VAL 49 -1.988 -3.029 5.102 189 3HG1 VAL 49 3HG1 VAL 49 -1.327 -3.714 3.597 190 1HG2 VAL 49 1HG2 VAL 49 -0.472 -4.298 6.521 191 2HG2 VAL 49 2HG2 VAL 49 -0.100 -6.004 6.126 192 3HG2 VAL 49 3HG2 VAL 49 0.282 -4.735 4.969 193 H THR 50 H THR 50 -5.380 -5.484 7.037 194 HA THR 50 HA THR 50 -6.511 -7.596 5.579 195 HB THR 50 HB THR 50 -7.827 -5.118 6.762 196 HG1 THR 50 1HG THR 50 -7.917 -7.163 8.452 197 1HG2 THR 50 1HG2 THR 50 -9.353 -6.503 5.421 198 2HG2 THR 50 2HG2 THR 50 -8.913 -7.932 6.384 199 3HG2 THR 50 3HG2 THR 50 -9.754 -6.559 7.145 200 H PHE 51 H PHE 51 -7.395 -7.759 3.393 201 HA PHE 51 HA PHE 51 -7.104 -5.320 1.797 202 1HB PHE 51 1HB PHE 51 -6.431 -7.044 0.091 203 2HB PHE 51 2HB PHE 51 -5.280 -6.810 1.419 204 HD1 PHE 51 1HD PHE 51 -5.083 -8.539 3.240 205 HD2 PHE 51 2HD PHE 51 -7.423 -9.164 -0.301 206 HE1 PHE 51 1HE PHE 51 -4.969 -11.006 3.531 207 HE2 PHE 51 2HE PHE 51 -7.045 -11.610 -0.053 208 HZ PHE 51 HZ PHE 51 -5.904 -12.524 1.958 209 H ASN 52 H ASN 52 -8.282 -5.575 -0.241 210 HA ASN 52 HA ASN 52 -11.010 -6.709 0.179 211 1HB ASN 52 1HB ASN 52 -10.092 -3.903 -0.419 212 2HB ASN 52 2HB ASN 52 -11.581 -4.496 -1.199 213 1HD2 ASN 52 1HD2 ASN 52 -10.103 -4.671 2.123 214 2HD2 ASN 52 2HD2 ASN 52 -11.617 -4.404 2.938 215 H THR 53 H THR 53 -12.145 -7.083 -1.889 216 HA THR 53 HA THR 53 -10.565 -8.421 -3.785 217 HB THR 53 HB THR 53 -13.227 -7.240 -4.522 218 HG1 THR 53 1HG THR 53 -14.324 -8.277 -3.127 219 1HG2 THR 53 1HG2 THR 53 -13.624 -9.499 -5.379 220 2HG2 THR 53 2HG2 THR 53 -12.008 -8.982 -5.928 221 3HG2 THR 53 3HG2 THR 53 -12.184 -10.087 -4.536 222 H GLY 54 H GLY 54 -9.736 -7.739 -5.895 223 1HA GLY 54 1HA GLY 54 -10.057 -4.965 -6.708 224 2HA GLY 54 2HA GLY 54 -8.557 -5.289 -5.834 225 H ASP 55 H ASP 55 -7.508 -4.673 -7.732 226 HA ASP 55 HA ASP 55 -7.355 -6.664 -9.894 227 1HB ASP 55 1HB ASP 55 -7.140 -4.049 -10.998 228 2HB ASP 55 2HB ASP 55 -8.307 -5.316 -11.390 229 HD2 ASP 55 HD ASP 55 -9.497 -2.130 -9.401 230 H SER 56 H SER 56 -5.300 -7.174 -9.967 231 HA SER 56 HA SER 56 -3.053 -5.560 -10.123 232 1HB SER 56 1HB SER 56 -3.662 -6.753 -7.378 233 2HB SER 56 2HB SER 56 -2.015 -6.324 -7.885 234 HG SER 56 HG SER 56 -4.116 -4.464 -8.105 235 H GLU 57 H GLU 57 -1.106 -7.464 -9.340 236 HA GLU 57 HA GLU 57 -1.359 -9.596 -11.185 237 1HB GLU 57 1HB GLU 57 0.397 -9.113 -8.764 238 2HB GLU 57 2HB GLU 57 0.490 -10.645 -9.677 239 1HG GLU 57 1HG GLU 57 0.833 -7.920 -10.965 240 2HG GLU 57 2HG GLU 57 2.183 -8.895 -10.349 241 HE2 GLU 57 HE GLU 57 1.851 -11.204 -13.006 242 H GLN 58 H GLN 58 -2.232 -9.439 -7.730 243 HA GLN 58 HA GLN 58 -3.081 -12.295 -7.791 244 1HB GLN 58 1HB GLN 58 -3.313 -11.028 -5.237 245 2HB GLN 58 2HB GLN 58 -2.441 -12.489 -5.793 246 1HG GLN 58 1HG GLN 58 -0.755 -11.229 -4.854 247 2HG GLN 58 2HG GLN 58 -0.599 -10.843 -6.562 248 1HE2 GLN 58 1HE2 GLN 58 -1.344 -9.668 -3.361 249 2HE2 GLN 58 2HE2 GLN 58 -1.689 -8.001 -3.780 250 H GLY 59 H GLY 59 -4.484 -9.110 -7.853 251 1HA GLY 59 1HA GLY 59 -6.730 -8.732 -8.462 252 2HA GLY 59 2HA GLY 59 -7.056 -10.429 -8.111 253 H ILE 60 H ILE 60 -5.445 -8.331 -5.738 254 HA ILE 60 HA ILE 60 -7.820 -7.608 -4.225 255 HB ILE 60 HB ILE 60 -6.404 -8.446 -2.070 256 1HG1 ILE 60 1HG1 ILE 60 -5.495 -10.447 -4.175 257 2HG1 ILE 60 2HG1 ILE 60 -4.460 -9.212 -3.406 258 1HG2 ILE 60 1HG2 ILE 60 -7.768 -10.558 -2.160 259 2HG2 ILE 60 2HG2 ILE 60 -8.698 -9.152 -2.666 260 3HG2 ILE 60 3HG2 ILE 60 -8.057 -10.273 -3.872 261 1HD1 ILE 60 1HD1 ILE 60 -4.068 -11.141 -2.126 262 2HD1 ILE 60 2HD1 ILE 60 -5.205 -10.200 -1.185 263 3HD1 ILE 60 3HD1 ILE 60 -5.791 -11.597 -2.090 264 H VAL 61 H VAL 61 -7.238 -5.801 -2.749 265 HA VAL 61 HA VAL 61 -4.460 -4.926 -2.957 266 HB VAL 61 HB VAL 61 -4.954 -2.606 -3.398 267 1HG1 VAL 61 1HG1 VAL 61 -4.474 -4.092 -5.317 268 2HG1 VAL 61 2HG1 VAL 61 -6.214 -4.326 -5.571 269 3HG1 VAL 61 3HG1 VAL 61 -5.494 -2.718 -5.761 270 1HG2 VAL 61 1HG2 VAL 61 -7.850 -3.448 -3.760 271 2HG2 VAL 61 2HG2 VAL 61 -7.190 -2.377 -2.497 272 3HG2 VAL 61 3HG2 VAL 61 -7.155 -1.870 -4.195 273 HA PRO 62 HA PRO 62 -4.995 -4.651 1.324 274 1HB PRO 62 1HB PRO 62 -2.864 -2.836 1.821 275 2HB PRO 62 2HB PRO 62 -2.868 -4.620 1.843 276 1HG PRO 62 1HG PRO 62 -1.495 -3.062 -0.015 277 2HG PRO 62 2HG PRO 62 -1.963 -4.815 -0.222 278 1HD PRO 62 1HD PRO 62 -3.310 -2.321 -1.256 279 2HD PRO 62 2HD PRO 62 -3.034 -3.862 -2.054 280 H CYS 63 H CYS 63 -5.927 -3.454 3.060 281 HA CYS 63 HA CYS 63 -7.275 -0.950 2.464 282 1HB CYS 63 1HB CYS 63 -8.291 -2.657 3.891 283 2HB CYS 63 2HB CYS 63 -6.963 -2.483 5.062 284 HG CYS 63 HG CYS 63 -9.144 -1.446 6.053 285 H LEU 64 H LEU 64 -5.184 0.115 1.880 286 HA LEU 64 HA LEU 64 -3.406 0.886 4.155 287 1HB LEU 64 1HB LEU 64 -3.432 1.631 1.201 288 2HB LEU 64 2HB LEU 64 -2.283 2.246 2.408 289 HG LEU 64 HG LEU 64 -2.590 -0.707 2.229 290 1HD1 LEU 64 1HD1 LEU 64 -1.026 -0.916 0.275 291 2HD1 LEU 64 2HD1 LEU 64 -2.569 -0.173 -0.166 292 3HD1 LEU 64 3HD1 LEU 64 -1.116 0.833 0.028 293 1HD2 LEU 64 1HD2 LEU 64 -0.135 1.057 2.469 294 2HD2 LEU 64 2HD2 LEU 64 -1.020 0.295 3.808 295 3HD2 LEU 64 3HD2 LEU 64 -0.183 -0.715 2.622 296 H THR 65 H THR 65 -3.988 2.751 5.378 297 HA THR 65 HA THR 65 -6.319 4.254 4.460 298 HB THR 65 HB THR 65 -6.444 4.966 6.738 299 HG1 THR 65 1HG THR 65 -4.771 4.441 8.213 300 1HG2 THR 65 1HG2 THR 65 -5.526 2.029 6.783 301 2HG2 THR 65 2HG2 THR 65 -6.435 2.851 8.063 302 3HG2 THR 65 3HG2 THR 65 -7.168 2.588 6.476 303 H ARG 66 H ARG 66 -6.218 6.730 4.992 304 HA ARG 66 HA ARG 66 -4.100 7.912 3.506 305 1HB ARG 66 1HB ARG 66 -6.206 9.062 3.934 306 2HB ARG 66 2HB ARG 66 -5.887 9.133 5.669 307 1HG ARG 66 1HG ARG 66 -4.465 10.888 5.484 308 2HG ARG 66 2HG ARG 66 -3.784 10.293 3.948 309 1HD ARG 66 1HD ARG 66 -5.195 11.518 2.686 310 2HD ARG 66 2HD ARG 66 -6.579 11.188 3.738 311 HE ARG 66 HE ARG 66 -4.474 13.226 4.356 312 1HH1 ARG 66 2HH2 ARG 66 -7.982 12.340 4.552 313 2HH1 ARG 66 1HH2 ARG 66 -8.416 13.958 4.988 314 1HH2 ARG 66 2HH1 ARG 66 -5.101 15.181 5.020 315 2HH2 ARG 66 1HH1 ARG 66 -6.774 15.617 5.267 316 H ALA 67 H ALA 67 -4.451 7.242 7.004 317 HA ALA 67 HA ALA 67 -2.060 8.557 7.666 318 1HB ALA 67 1HB ALA 67 -3.553 6.322 9.101 319 2HB ALA 67 2HB ALA 67 -2.126 7.144 9.754 320 3HB ALA 67 3HB ALA 67 -3.622 8.073 9.442 321 H GLN 68 H GLN 68 -2.673 5.033 6.916 322 HA GLN 68 HA GLN 68 -0.074 4.111 7.535 323 1HB GLN 68 1HB GLN 68 -2.092 3.135 5.475 324 2HB GLN 68 2HB GLN 68 -0.655 2.231 5.971 325 1HG GLN 68 1HG GLN 68 -2.130 2.955 8.329 326 2HG GLN 68 2HG GLN 68 -3.244 2.265 7.107 327 1HE2 GLN 68 1HE2 GLN 68 0.100 1.453 8.347 328 2HE2 GLN 68 2HE2 GLN 68 -0.170 -0.181 7.894 329 H LEU 69 H LEU 69 -1.386 5.579 4.560 330 HA LEU 69 HA LEU 69 1.032 5.043 3.024 331 1HB LEU 69 1HB LEU 69 -1.235 6.977 2.487 332 2HB LEU 69 2HB LEU 69 0.051 6.471 1.354 333 HG LEU 69 HG LEU 69 -1.899 4.555 2.635 334 1HD1 LEU 69 1HD1 LEU 69 -3.128 6.183 1.239 335 2HD1 LEU 69 2HD1 LEU 69 -2.077 5.802 -0.148 336 3HD1 LEU 69 3HD1 LEU 69 -3.163 4.566 0.533 337 1HD2 LEU 69 1HD2 LEU 69 -0.050 3.347 1.943 338 2HD2 LEU 69 2HD2 LEU 69 -1.212 3.138 0.629 339 3HD2 LEU 69 3HD2 LEU 69 0.143 4.263 0.423 340 H ALA 70 H ALA 70 -0.373 7.938 4.630 341 HA ALA 70 HA ALA 70 1.780 9.718 4.134 342 1HB ALA 70 1HB ALA 70 -0.362 10.481 4.990 343 2HB ALA 70 2HB ALA 70 -0.179 9.503 6.458 344 3HB ALA 70 3HB ALA 70 0.888 10.885 6.177 345 H SER 71 H SER 71 1.481 6.994 6.353 346 HA SER 71 HA SER 71 3.650 7.673 8.102 347 1HB SER 71 1HB SER 71 1.949 6.101 8.767 348 2HB SER 71 2HB SER 71 2.381 4.987 7.469 349 HG SER 71 HG SER 71 3.494 5.386 9.925 350 H MET 72 H MET 72 3.560 5.245 5.394 351 HA MET 72 HA MET 72 6.374 4.882 5.159 352 1HB MET 72 1HB MET 72 5.866 3.967 2.930 353 2HB MET 72 2HB MET 72 4.859 3.240 4.168 354 1HG MET 72 1HG MET 72 3.018 4.701 3.588 355 2HG MET 72 2HG MET 72 4.067 5.516 2.417 356 1HE MET 72 1HE MET 72 1.769 2.529 3.210 357 2HE MET 72 2HE MET 72 2.148 1.360 1.927 358 3HE MET 72 3HE MET 72 3.350 1.716 3.185 359 H GLY 73 H GLY 73 4.662 7.805 4.399 360 1HA GLY 73 1HA GLY 73 6.079 9.716 4.115 361 2HA GLY 73 2HA GLY 73 7.215 8.768 3.159 362 H LEU 74 H LEU 74 3.837 8.347 2.496 363 HA LEU 74 HA LEU 74 3.884 9.204 -0.183 364 1HB LEU 74 1HB LEU 74 2.204 7.725 0.948 365 2HB LEU 74 2HB LEU 74 1.622 9.152 1.848 366 HG LEU 74 HG LEU 74 1.071 10.133 -0.483 367 1HD1 LEU 74 1HD1 LEU 74 0.969 7.309 -1.434 368 2HD1 LEU 74 2HD1 LEU 74 1.072 8.866 -2.351 369 3HD1 LEU 74 3HD1 LEU 74 2.488 8.195 -1.567 370 1HD2 LEU 74 1HD2 LEU 74 -0.736 7.883 -0.015 371 2HD2 LEU 74 2HD2 LEU 74 -0.489 9.064 1.291 372 3HD2 LEU 74 3HD2 LEU 74 -1.011 9.610 -0.309 373 H ASN 75 H ASN 75 2.885 11.014 -1.154 374 HA ASN 75 HA ASN 75 2.284 13.414 0.510 375 1HB ASN 75 1HB ASN 75 3.983 13.407 -1.509 376 2HB ASN 75 2HB ASN 75 2.544 13.442 -2.513 377 1HD2 ASN 75 1HD2 ASN 75 4.465 15.411 -2.376 378 2HD2 ASN 75 2HD2 ASN 75 3.828 16.887 -1.686 379 H THR 76 H THR 76 -0.013 12.888 1.092 380 HA THR 76 HA THR 76 -1.879 11.862 -0.732 381 HB THR 76 HB THR 76 -3.483 13.092 0.863 382 HG1 THR 76 1HG THR 76 -2.245 14.745 1.704 383 1HG2 THR 76 1HG2 THR 76 -1.322 11.211 1.910 384 2HG2 THR 76 2HG2 THR 76 -2.720 11.715 2.848 385 3HG2 THR 76 3HG2 THR 76 -2.939 10.787 1.349 386 H ALA 77 H ALA 77 -0.584 15.191 -0.478 387 HA ALA 77 HA ALA 77 -2.781 16.391 -1.853 388 1HB ALA 77 1HB ALA 77 -1.286 17.731 -0.466 389 2HB ALA 77 2HB ALA 77 0.079 17.402 -1.571 390 3HB ALA 77 3HB ALA 77 -1.323 18.334 -2.125 391 H SER 78 H SER 78 0.174 14.769 -3.036 392 HA SER 78 HA SER 78 0.049 15.868 -5.694 393 1HB SER 78 1HB SER 78 1.412 13.372 -4.626 394 2HB SER 78 2HB SER 78 1.812 14.198 -6.137 395 HG SER 78 HG SER 78 2.008 16.119 -4.479 396 H VAL 79 H VAL 79 -1.940 13.400 -4.172 397 HA VAL 79 HA VAL 79 -2.578 12.083 -6.698 398 HB VAL 79 HB VAL 79 -3.855 11.868 -3.947 399 1HG1 VAL 79 1HG1 VAL 79 -5.202 10.777 -5.626 400 2HG1 VAL 79 2HG1 VAL 79 -3.785 10.061 -6.414 401 3HG1 VAL 79 3HG1 VAL 79 -4.321 9.479 -4.849 402 1HG2 VAL 79 1HG2 VAL 79 -1.902 9.772 -4.698 403 2HG2 VAL 79 2HG2 VAL 79 -1.184 11.251 -4.032 404 3HG2 VAL 79 3HG2 VAL 79 -2.373 10.359 -3.104 405 H ALA 80 H ALA 80 -4.978 12.253 -7.269 406 HA ALA 80 HA ALA 80 -6.093 14.912 -6.906 407 1HB ALA 80 1HB ALA 80 -6.429 13.622 -8.914 408 2HB ALA 80 2HB ALA 80 -7.162 12.300 -7.988 409 3HB ALA 80 3HB ALA 80 -7.999 13.871 -8.099 410 H GLY 81 H GLY 81 -8.125 12.051 -6.281 411 1HA GLY 81 1HA GLY 81 -9.325 13.386 -4.010 412 2HA GLY 81 2HA GLY 81 -9.786 11.876 -4.795 413 H MET 82 H MET 82 -6.643 12.737 -3.215 414 HA MET 82 HA MET 82 -7.219 10.465 -1.353 415 1HB MET 82 1HB MET 82 -5.113 10.262 -2.685 416 2HB MET 82 2HB MET 82 -4.462 11.595 -1.715 417 1HG MET 82 1HG MET 82 -4.755 10.406 0.321 418 2HG MET 82 2HG MET 82 -5.797 9.188 -0.427 419 1HE MET 82 1HE MET 82 -5.117 7.658 -2.246 420 2HE MET 82 2HE MET 82 -3.772 8.397 -3.146 421 3HE MET 82 3HE MET 82 -3.532 6.851 -2.308 422 H ASN 83 H ASN 83 -6.313 13.900 -1.395 423 HA ASN 83 HA ASN 83 -5.738 14.001 1.365 424 1HB ASN 83 1HB ASN 83 -5.520 16.319 1.121 425 2HB ASN 83 2HB ASN 83 -5.059 15.684 -0.448 426 1HD2 ASN 83 1HD2 ASN 83 -6.173 16.542 -2.293 427 2HD2 ASN 83 2HD2 ASN 83 -7.620 17.510 -2.136 428 H LEU 84 H LEU 84 -8.635 13.185 0.285 429 HA LEU 84 HA LEU 84 -10.197 14.612 2.317 430 1HB LEU 84 1HB LEU 84 -12.151 14.107 0.753 431 2HB LEU 84 2HB LEU 84 -11.147 15.545 0.552 432 HG LEU 84 HG LEU 84 -11.828 14.470 -1.547 433 1HD1 LEU 84 1HD1 LEU 84 -8.872 14.124 -1.554 434 2HD1 LEU 84 2HD1 LEU 84 -9.917 15.097 -2.602 435 3HD1 LEU 84 3HD1 LEU 84 -9.519 15.655 -0.957 436 1HD2 LEU 84 1HD2 LEU 84 -10.999 12.346 -2.272 437 2HD2 LEU 84 2HD2 LEU 84 -9.999 12.153 -0.807 438 3HD2 LEU 84 3HD2 LEU 84 -11.766 12.100 -0.702 439 H LEU 85 H LEU 85 -8.927 11.538 1.578 440 HA LEU 85 HA LEU 85 -11.292 9.956 2.357 441 1HB LEU 85 1HB LEU 85 -8.419 9.379 1.570 442 2HB LEU 85 2HB LEU 85 -9.402 8.145 2.388 443 HG LEU 85 HG LEU 85 -10.576 9.516 -0.023 444 1HD1 LEU 85 1HD1 LEU 85 -8.686 7.183 -0.340 445 2HD1 LEU 85 2HD1 LEU 85 -9.415 8.201 -1.591 446 3HD1 LEU 85 3HD1 LEU 85 -8.150 8.869 -0.538 447 1HD2 LEU 85 1HD2 LEU 85 -11.497 7.249 -0.404 448 2HD2 LEU 85 2HD2 LEU 85 -10.594 6.629 0.996 449 3HD2 LEU 85 3HD2 LEU 85 -11.891 7.821 1.227 450 H ALA 86 H ALA 86 -11.215 8.645 4.305 451 HA ALA 86 HA ALA 86 -10.260 10.143 6.542 452 1HB ALA 86 1HB ALA 86 -11.196 7.248 6.573 453 2HB ALA 86 2HB ALA 86 -11.216 8.404 7.895 454 3HB ALA 86 3HB ALA 86 -12.310 8.641 6.518 455 H ASP 87 H ASP 87 -8.947 9.340 8.196 456 HA ASP 87 HA ASP 87 -6.344 8.267 7.500 457 1HB ASP 87 1HB ASP 87 -7.696 8.910 10.151 458 2HB ASP 87 2HB ASP 87 -5.978 8.482 9.964 459 HD2 ASP 87 HD ASP 87 -5.317 11.558 8.319 460 H ASP 88 H ASP 88 -9.241 6.772 7.875 461 HA ASP 88 HA ASP 88 -8.101 4.193 8.863 462 1HB ASP 88 1HB ASP 88 -9.436 6.052 10.373 463 2HB ASP 88 2HB ASP 88 -10.838 5.228 9.735 464 HD2 ASP 88 HD ASP 88 -10.224 3.542 12.756 465 H ALA 89 H ALA 89 -8.704 4.993 6.161 466 HA ALA 89 HA ALA 89 -11.266 3.643 5.631 467 1HB ALA 89 1HB ALA 89 -11.457 5.933 4.887 468 2HB ALA 89 2HB ALA 89 -9.844 5.899 4.120 469 3HB ALA 89 3HB ALA 89 -11.196 4.978 3.432 470 H CYS 90 H CYS 90 -11.223 2.194 3.623 471 HA CYS 90 HA CYS 90 -8.571 1.274 2.698 472 1HB CYS 90 1HB CYS 90 -11.365 1.053 1.570 473 2HB CYS 90 2HB CYS 90 -9.899 0.531 0.681 474 HG CYS 90 HG CYS 90 -11.228 -1.556 1.468 475 H VAL 91 H VAL 91 -7.309 3.033 2.004 476 HA VAL 91 HA VAL 91 -8.468 4.945 0.092 477 HB VAL 91 HB VAL 91 -5.641 4.606 1.188 478 1HG1 VAL 91 1HG1 VAL 91 -5.331 5.457 -0.970 479 2HG1 VAL 91 2HG1 VAL 91 -6.680 6.591 -0.833 480 3HG1 VAL 91 3HG1 VAL 91 -5.223 6.800 0.157 481 1HG2 VAL 91 1HG2 VAL 91 -6.166 6.809 2.259 482 2HG2 VAL 91 2HG2 VAL 91 -7.829 6.676 1.667 483 3HG2 VAL 91 3HG2 VAL 91 -7.228 5.510 2.843 484 HA PRO 92 HA PRO 92 -6.864 2.218 -3.202 485 1HB PRO 92 1HB PRO 92 -7.587 3.761 -5.331 486 2HB PRO 92 2HB PRO 92 -8.670 2.587 -4.525 487 1HG PRO 92 1HG PRO 92 -8.566 5.579 -4.236 488 2HG PRO 92 2HG PRO 92 -10.001 4.499 -4.248 489 1HD PRO 92 1HD PRO 92 -8.775 5.566 -1.958 490 2HD PRO 92 2HD PRO 92 -9.813 4.113 -1.974 491 H LEU 93 H LEU 93 -4.730 2.593 -2.577 492 HA LEU 93 HA LEU 93 -3.285 4.993 -3.556 493 1HB LEU 93 1HB LEU 93 -2.228 3.739 -1.755 494 2HB LEU 93 2HB LEU 93 -2.415 2.220 -2.657 495 HG LEU 93 HG LEU 93 -0.916 3.311 -4.476 496 1HD1 LEU 93 1HD1 LEU 93 -1.120 5.623 -3.726 497 2HD1 LEU 93 2HD1 LEU 93 -0.332 5.225 -2.181 498 3HD1 LEU 93 3HD1 LEU 93 0.559 5.105 -3.717 499 1HD2 LEU 93 1HD2 LEU 93 -0.175 1.568 -2.911 500 2HD2 LEU 93 2HD2 LEU 93 1.087 2.694 -3.412 501 3HD2 LEU 93 3HD2 LEU 93 0.359 2.833 -1.782 502 H THR 94 H THR 94 -3.223 1.495 -4.571 503 HA THR 94 HA THR 94 -2.108 2.310 -7.063 504 HB THR 94 HB THR 94 -2.198 -0.228 -7.391 505 HG1 THR 94 1HG THR 94 -2.656 -0.662 -4.740 506 1HG2 THR 94 1HG2 THR 94 -1.077 0.997 -4.819 507 2HG2 THR 94 2HG2 THR 94 -0.480 -0.454 -5.607 508 3HG2 THR 94 3HG2 THR 94 -0.358 1.153 -6.408 509 H THR 95 H THR 95 -5.252 2.517 -6.257 510 HA THR 95 HA THR 95 -6.183 2.081 -9.049 511 HB THR 95 HB THR 95 -7.943 2.019 -6.588 512 HG1 THR 95 1HG THR 95 -6.805 -0.311 -7.739 513 1HG2 THR 95 1HG2 THR 95 -8.122 0.911 -9.386 514 2HG2 THR 95 2HG2 THR 95 -9.279 0.519 -8.080 515 3HG2 THR 95 3HG2 THR 95 -9.098 2.186 -8.646 516 H MET 96 H MET 96 -5.131 4.461 -7.058 517 HA MET 96 HA MET 96 -6.660 6.458 -8.587 518 1HB MET 96 1HB MET 96 -6.764 6.223 -5.867 519 2HB MET 96 2HB MET 96 -5.386 7.296 -6.007 520 1HG MET 96 1HG MET 96 -6.708 9.021 -6.902 521 2HG MET 96 2HG MET 96 -7.894 7.874 -7.574 522 1HE MET 96 1HE MET 96 -7.642 8.665 -3.014 523 2HE MET 96 2HE MET 96 -6.482 7.701 -3.938 524 3HE MET 96 3HE MET 96 -6.548 9.466 -4.172 525 H VAL 97 H VAL 97 -3.505 5.158 -7.378 526 HA VAL 97 HA VAL 97 -2.188 7.274 -8.880 527 HB VAL 97 HB VAL 97 -0.568 7.250 -7.488 528 1HG1 VAL 97 1HG1 VAL 97 -1.243 7.621 -5.295 529 2HG1 VAL 97 2HG1 VAL 97 -2.654 7.955 -6.302 530 3HG1 VAL 97 3HG1 VAL 97 -2.551 6.441 -5.393 531 1HG2 VAL 97 1HG2 VAL 97 -0.703 4.622 -6.336 532 2HG2 VAL 97 2HG2 VAL 97 0.438 5.312 -7.553 533 3HG2 VAL 97 3HG2 VAL 97 0.441 5.966 -5.951 534 H GLN 98 H GLN 98 -0.654 6.747 -10.363 535 HA GLN 98 HA GLN 98 -0.800 3.997 -11.428 536 1HB GLN 98 1HB GLN 98 -1.287 6.128 -12.789 537 2HB GLN 98 2HB GLN 98 0.459 6.471 -12.651 538 1HG GLN 98 1HG GLN 98 0.022 5.559 -14.794 539 2HG GLN 98 2HG GLN 98 0.954 4.384 -13.888 540 1HE2 GLN 98 1HE2 GLN 98 -1.000 2.695 -12.564 541 2HE2 GLN 98 2HE2 GLN 98 -2.067 2.135 -13.818 542 H ASP 99 H ASP 99 1.298 3.050 -12.160 543 HA ASP 99 HA ASP 99 3.416 2.419 -12.079 544 1HB ASP 99 1HB ASP 99 3.868 4.901 -12.387 545 2HB ASP 99 2HB ASP 99 4.209 4.962 -10.656 546 HD2 ASP 99 HD ASP 99 7.009 2.609 -11.693 547 H ALA 100 H ALA 100 2.028 3.687 -9.101 548 HA ALA 100 HA ALA 100 3.589 2.081 -7.298 549 1HB ALA 100 1HB ALA 100 2.158 4.024 -6.572 550 2HB ALA 100 2HB ALA 100 0.732 3.088 -7.090 551 3HB ALA 100 3HB ALA 100 1.699 2.529 -5.727 552 H THR 101 H THR 101 2.954 0.162 -6.262 553 HA THR 101 HA THR 101 0.678 -1.369 -7.144 554 HB THR 101 HB THR 101 2.188 -3.406 -7.639 555 HG1 THR 101 1HG THR 101 4.182 -2.523 -8.762 556 1HG2 THR 101 1HG2 THR 101 0.853 -2.040 -9.342 557 2HG2 THR 101 2HG2 THR 101 2.380 -1.222 -9.744 558 3HG2 THR 101 3HG2 THR 101 2.206 -2.966 -9.965 559 H ALA 102 H ALA 102 0.342 -3.219 -5.565 560 HA ALA 102 HA ALA 102 2.012 -3.087 -3.126 561 1HB ALA 102 1HB ALA 102 -0.152 -3.215 -1.899 562 2HB ALA 102 2HB ALA 102 -0.056 -1.747 -2.883 563 3HB ALA 102 3HB ALA 102 -1.037 -3.121 -3.433 564 H HIS 103 H HIS 103 3.023 -4.934 -4.298 565 HA HIS 103 HA HIS 103 1.460 -7.350 -4.782 566 1HB HIS 103 1HB HIS 103 3.234 -6.975 -6.272 567 2HB HIS 103 2HB HIS 103 4.390 -6.642 -4.983 568 HD1 HIS 103 1HD HIS 103 5.880 -8.451 -6.408 569 HD2 HIS 103 2HD HIS 103 2.469 -9.941 -4.449 570 HE1 HIS 103 1HE HIS 103 6.130 -11.000 -6.280 571 HE2 HIS 103 2HE HIS 103 4.047 -11.913 -5.106 572 H LEU 104 H LEU 104 0.679 -8.420 -3.103 573 HA LEU 104 HA LEU 104 2.114 -8.783 -0.544 574 1HB LEU 104 1HB LEU 104 -0.166 -8.628 -0.367 575 2HB LEU 104 2HB LEU 104 -0.515 -9.737 -1.668 576 HG LEU 104 HG LEU 104 -0.729 -10.329 0.849 577 1HD1 LEU 104 1HD1 LEU 104 -1.448 -11.699 -1.001 578 2HD1 LEU 104 2HD1 LEU 104 0.150 -12.486 -1.025 579 3HD1 LEU 104 3HD1 LEU 104 -0.908 -12.612 0.389 580 1HD2 LEU 104 1HD2 LEU 104 0.793 -11.190 2.097 581 2HD2 LEU 104 2HD2 LEU 104 1.955 -11.429 0.784 582 3HD2 LEU 104 3HD2 LEU 104 1.583 -9.803 1.377 583 H ASP 105 H ASP 105 3.954 -10.005 -0.728 584 HA ASP 105 HA ASP 105 4.007 -12.572 -2.184 585 1HB ASP 105 1HB ASP 105 5.946 -10.955 -2.158 586 2HB ASP 105 2HB ASP 105 6.093 -11.257 -0.417 587 HD2 ASP 105 HD ASP 105 8.361 -13.534 -2.022 588 H VAL 106 H VAL 106 2.281 -13.629 -0.817 589 HA VAL 106 HA VAL 106 2.798 -13.950 2.036 590 HB VAL 106 HB VAL 106 0.690 -14.741 0.194 591 1HG1 VAL 106 1HG1 VAL 106 1.253 -16.819 2.367 592 2HG1 VAL 106 2HG1 VAL 106 -0.088 -16.791 1.212 593 3HG1 VAL 106 3HG1 VAL 106 1.561 -17.102 0.648 594 1HG2 VAL 106 1HG2 VAL 106 0.798 -14.677 3.240 595 2HG2 VAL 106 2HG2 VAL 106 0.496 -13.271 2.192 596 3HG2 VAL 106 3HG2 VAL 106 -0.652 -14.598 2.215 597 H GLY 107 H GLY 107 4.275 -15.348 -0.749 598 1HA GLY 107 1HA GLY 107 5.297 -17.778 0.241 599 2HA GLY 107 2HA GLY 107 6.067 -16.685 -0.914 600 H GLN 108 H GLN 108 6.420 -14.402 0.560 601 HA GLN 108 HA GLN 108 8.428 -15.249 2.598 602 1HB GLN 108 1HB GLN 108 8.909 -14.284 0.162 603 2HB GLN 108 2HB GLN 108 8.716 -12.733 1.001 604 1HG GLN 108 1HG GLN 108 10.948 -13.019 1.377 605 2HG GLN 108 2HG GLN 108 10.401 -13.971 2.752 606 1HE2 GLN 108 1HE2 GLN 108 12.152 -13.979 -0.231 607 2HE2 GLN 108 2HE2 GLN 108 12.525 -15.698 -0.246 608 H GLN 109 H GLN 109 5.500 -13.876 2.751 609 HA GLN 109 HA GLN 109 4.387 -12.473 3.945 610 1HB GLN 109 1HB GLN 109 6.615 -12.838 5.953 611 2HB GLN 109 2HB GLN 109 5.157 -11.842 6.255 612 1HG GLN 109 1HG GLN 109 3.906 -14.056 5.513 613 2HG GLN 109 2HG GLN 109 5.420 -14.810 6.060 614 1HE2 GLN 109 1HE2 GLN 109 2.375 -13.528 7.112 615 2HE2 GLN 109 2HE2 GLN 109 2.737 -13.617 8.836 616 H ARG 110 H ARG 110 5.774 -11.325 1.896 617 HA ARG 110 HA ARG 110 6.760 -8.716 2.995 618 1HB ARG 110 1HB ARG 110 8.421 -10.393 1.982 619 2HB ARG 110 2HB ARG 110 7.742 -9.883 0.435 620 1HG ARG 110 1HG ARG 110 8.245 -7.440 1.426 621 2HG ARG 110 2HG ARG 110 9.387 -8.353 2.441 622 1HD ARG 110 1HD ARG 110 9.954 -9.430 0.009 623 2HD ARG 110 2HD ARG 110 9.378 -7.833 -0.491 624 HE ARG 110 HE ARG 110 11.554 -8.101 1.513 625 1HH1 ARG 110 2HH2 ARG 110 10.598 -7.007 -1.756 626 2HH1 ARG 110 1HH2 ARG 110 12.192 -6.596 -2.219 627 1HH2 ARG 110 2HH1 ARG 110 13.655 -7.532 0.859 628 2HH2 ARG 110 1HH1 ARG 110 13.929 -6.692 -0.655 629 H LEU 111 H LEU 111 5.211 -7.225 2.676 630 HA LEU 111 HA LEU 111 3.568 -7.366 0.218 631 1HB LEU 111 1HB LEU 111 2.254 -6.886 2.082 632 2HB LEU 111 2HB LEU 111 3.342 -5.663 2.695 633 HG LEU 111 HG LEU 111 2.682 -4.140 0.927 634 1HD1 LEU 111 1HD1 LEU 111 2.437 -5.596 -1.005 635 2HD1 LEU 111 2HD1 LEU 111 1.131 -6.511 -0.216 636 3HD1 LEU 111 3HD1 LEU 111 0.867 -4.846 -0.721 637 1HD2 LEU 111 1HD2 LEU 111 0.305 -3.868 1.383 638 2HD2 LEU 111 2HD2 LEU 111 0.184 -5.548 1.958 639 3HD2 LEU 111 3HD2 LEU 111 1.125 -4.355 2.860 640 H ASN 112 H ASN 112 5.211 -7.164 -1.175 641 HA ASN 112 HA ASN 112 7.266 -5.127 -1.314 642 1HB ASN 112 1HB ASN 112 5.907 -6.938 -3.342 643 2HB ASN 112 2HB ASN 112 7.140 -5.725 -3.775 644 1HD2 ASN 112 1HD2 ASN 112 6.575 -8.894 -2.320 645 2HD2 ASN 112 2HD2 ASN 112 8.260 -9.338 -2.369 646 H LEU 113 H LEU 113 6.855 -2.996 -1.775 647 HA LEU 113 HA LEU 113 4.300 -2.337 -3.083 648 1HB LEU 113 1HB LEU 113 4.695 -2.068 -0.339 649 2HB LEU 113 2HB LEU 113 5.175 -0.474 -0.934 650 HG LEU 113 HG LEU 113 2.804 -1.142 -2.288 651 1HD1 LEU 113 1HD1 LEU 113 2.305 -2.887 -0.810 652 2HD1 LEU 113 2HD1 LEU 113 2.382 -1.783 0.592 653 3HD1 LEU 113 3HD1 LEU 113 1.138 -1.575 -0.645 654 1HD2 LEU 113 1HD2 LEU 113 3.341 1.088 -1.757 655 2HD2 LEU 113 2HD2 LEU 113 1.767 0.691 -1.065 656 3HD2 LEU 113 3HD2 LEU 113 3.206 0.756 -0.009 657 H THR 114 H THR 114 4.393 -0.364 -4.282 658 HA THR 114 HA THR 114 7.042 0.935 -4.415 659 HB THR 114 HB THR 114 5.440 -0.296 -6.717 660 HG1 THR 114 1HG THR 114 7.973 -0.803 -5.574 661 1HG2 THR 114 1HG2 THR 114 6.171 1.838 -7.532 662 2HG2 THR 114 2HG2 THR 114 7.813 1.589 -6.876 663 3HG2 THR 114 3HG2 THR 114 7.213 0.591 -8.231 664 H ILE 115 H ILE 115 6.855 3.155 -4.910 665 HA ILE 115 HA ILE 115 4.300 4.177 -5.830 666 HB ILE 115 HB ILE 115 5.573 5.021 -3.210 667 1HG1 ILE 115 1HG1 ILE 115 2.729 4.382 -4.126 668 2HG1 ILE 115 2HG1 ILE 115 3.744 3.344 -3.103 669 1HG2 ILE 115 1HG2 ILE 115 4.199 7.058 -3.165 670 2HG2 ILE 115 2HG2 ILE 115 5.320 7.091 -4.474 671 3HG2 ILE 115 3HG2 ILE 115 3.614 6.708 -4.811 672 1HD1 ILE 115 1HD1 ILE 115 2.220 4.353 -1.643 673 2HD1 ILE 115 2HD1 ILE 115 3.748 5.235 -1.395 674 3HD1 ILE 115 3HD1 ILE 115 2.454 5.950 -2.383 675 HA PRO 116 HA PRO 116 7.386 6.357 -8.310 676 1HB PRO 116 1HB PRO 116 5.723 8.316 -9.315 677 2HB PRO 116 2HB PRO 116 5.797 6.667 -9.966 678 1HG PRO 116 1HG PRO 116 3.843 7.828 -7.971 679 2HG PRO 116 2HG PRO 116 3.486 6.832 -9.412 680 1HD PRO 116 1HD PRO 116 3.615 5.781 -6.898 681 2HD PRO 116 2HD PRO 116 4.236 4.860 -8.287 682 H GLN 117 H GLN 117 8.686 8.008 -7.753 683 HA GLN 117 HA GLN 117 8.678 9.360 -5.300 684 1HB GLN 117 1HB GLN 117 9.963 10.061 -7.959 685 2HB GLN 117 2HB GLN 117 10.292 10.967 -6.466 686 1HG GLN 117 1HG GLN 117 10.784 7.987 -6.819 687 2HG GLN 117 2HG GLN 117 12.021 9.254 -7.014 688 1HE2 GLN 117 1HE2 GLN 117 11.237 6.950 -4.931 689 2HE2 GLN 117 2HE2 GLN 117 11.617 7.700 -3.395 690 H ALA 118 H ALA 118 7.074 10.359 -8.303 691 HA ALA 118 HA ALA 118 6.487 13.037 -7.669 692 1HB ALA 118 1HB ALA 118 4.571 12.709 -9.233 693 2HB ALA 118 2HB ALA 118 6.099 12.067 -9.868 694 3HB ALA 118 3HB ALA 118 4.878 10.959 -9.202 695 H PHE 119 H PHE 119 5.041 10.077 -6.132 696 HA PHE 119 HA PHE 119 3.025 11.831 -4.831 697 1HB PHE 119 1HB PHE 119 3.287 8.865 -5.420 698 2HB PHE 119 2HB PHE 119 2.046 9.533 -4.356 699 HD1 PHE 119 1HD PHE 119 3.248 9.925 -7.929 700 HD2 PHE 119 2HD PHE 119 0.035 9.801 -5.193 701 HE1 PHE 119 1HE PHE 119 1.682 10.005 -9.813 702 HE2 PHE 119 2HE PHE 119 -1.624 9.830 -7.112 703 HZ PHE 119 HZ PHE 119 -0.755 9.717 -9.455 704 H MET 120 H MET 120 5.881 11.892 -4.034 705 HA MET 120 HA MET 120 5.687 10.583 -1.356 706 1HB MET 120 1HB MET 120 8.022 10.524 -3.292 707 2HB MET 120 2HB MET 120 8.100 10.074 -1.568 708 1HG MET 120 1HG MET 120 6.026 8.531 -2.419 709 2HG MET 120 2HG MET 120 7.030 8.577 -3.872 710 1HE MET 120 1HE MET 120 6.564 7.519 -0.193 711 2HE MET 120 2HE MET 120 8.138 6.875 0.310 712 3HE MET 120 3HE MET 120 7.935 8.619 0.076 713 H SER 121 H SER 121 6.229 11.900 0.266 714 HA SER 121 HA SER 121 7.048 14.661 -0.454 715 1HB SER 121 1HB SER 121 5.031 14.209 0.943 716 2HB SER 121 2HB SER 121 6.084 13.591 2.212 717 HG SER 121 HG SER 121 5.544 15.807 2.472 718 H ASN 122 H ASN 122 8.936 12.559 -0.830 719 HA ASN 122 HA ASN 122 10.883 11.612 -0.294 720 1HB ASN 122 1HB ASN 122 11.401 14.367 0.845 721 2HB ASN 122 2HB ASN 122 12.663 13.112 0.703 722 1HD2 ASN 122 1HD2 ASN 122 12.253 15.815 -0.731 723 2HD2 ASN 122 2HD2 ASN 122 12.262 15.386 -2.430 724 H ARG 123 H ARG 123 12.568 11.800 1.988 725 HA ARG 123 HA ARG 123 13.001 10.838 3.905 726 1HB ARG 123 1HB ARG 123 10.349 12.053 4.482 727 2HB ARG 123 2HB ARG 123 10.935 10.855 5.650 728 1HG ARG 123 1HG ARG 123 12.762 13.064 4.713 729 2HG ARG 123 2HG ARG 123 11.552 13.348 5.997 730 1HD ARG 123 1HD ARG 123 12.586 11.932 7.496 731 2HD ARG 123 2HD ARG 123 13.296 10.910 6.213 732 HE ARG 123 HE ARG 123 15.179 11.950 6.550 733 1HH1 ARG 123 2HH2 ARG 123 12.733 14.456 6.894 734 2HH1 ARG 123 1HH2 ARG 123 13.837 15.777 7.033 735 1HH2 ARG 123 2HH1 ARG 123 16.668 13.590 7.170 736 2HH2 ARG 123 1HH1 ARG 123 16.176 15.270 7.093 737 H ALA 124 H ALA 124 9.853 9.590 2.828 738 HA ALA 124 HA ALA 124 8.971 7.519 2.853 739 1HB ALA 124 1HB ALA 124 11.733 6.907 1.805 740 2HB ALA 124 2HB ALA 124 10.274 5.914 1.553 741 3HB ALA 124 3HB ALA 124 10.352 7.568 0.887 742 H ARG 125 H ARG 125 8.469 6.974 5.034 743 HA ARG 125 HA ARG 125 10.825 6.370 6.696 744 1HB ARG 125 1HB ARG 125 8.128 7.611 7.289 745 2HB ARG 125 2HB ARG 125 9.283 7.173 8.565 746 1HG ARG 125 1HG ARG 125 9.658 9.209 6.350 747 2HG ARG 125 2HG ARG 125 9.477 9.526 8.091 748 1HD ARG 125 1HD ARG 125 11.841 8.304 6.629 749 2HD ARG 125 2HD ARG 125 11.799 9.799 7.572 750 HE ARG 125 HE ARG 125 12.001 7.043 8.526 751 1HH1 ARG 125 2HH2 ARG 125 11.641 10.465 9.497 752 2HH1 ARG 125 1HH2 ARG 125 11.913 10.141 11.173 753 1HH2 ARG 125 2HH1 ARG 125 11.646 6.668 10.724 754 2HH2 ARG 125 1HH1 ARG 125 11.864 7.900 11.917 Start of MODEL 14 1 1H GLY 25 H GLY 25 -6.631 -11.362 -13.403 2 1HA GLY 25 1HA GLY 25 -7.757 -14.097 -13.404 3 2HA GLY 25 2HA GLY 25 -6.135 -13.693 -12.807 4 H GLN 26 H GLN 26 -8.078 -15.014 -11.251 5 HA GLN 26 HA GLN 26 -8.044 -13.236 -8.934 6 1HB GLN 26 1HB GLN 26 -10.294 -12.853 -9.645 7 2HB GLN 26 2HB GLN 26 -10.536 -14.563 -10.086 8 1HG GLN 26 1HG GLN 26 -11.783 -14.038 -8.105 9 2HG GLN 26 2HG GLN 26 -10.518 -15.194 -7.707 10 1HE2 GLN 26 1HE2 GLN 26 -8.689 -14.411 -6.458 11 2HE2 GLN 26 2HE2 GLN 26 -8.836 -13.011 -5.416 12 H GLU 27 H GLU 27 -6.680 -14.525 -7.600 13 HA GLU 27 HA GLU 27 -7.404 -17.382 -7.364 14 1HB GLU 27 1HB GLU 27 -5.006 -18.004 -7.605 15 2HB GLU 27 2HB GLU 27 -5.640 -17.258 -9.084 16 1HG GLU 27 1HG GLU 27 -4.611 -15.095 -8.414 17 2HG GLU 27 2HG GLU 27 -3.944 -15.835 -6.964 18 HE2 GLU 27 HE GLU 27 -2.278 -16.533 -10.537 19 H LEU 28 H LEU 28 -7.301 -14.874 -5.697 20 HA LEU 28 HA LEU 28 -6.629 -16.295 -3.210 21 1HB LEU 28 1HB LEU 28 -4.586 -15.128 -4.193 22 2HB LEU 28 2HB LEU 28 -5.386 -13.589 -3.862 23 HG LEU 28 HG LEU 28 -5.352 -14.074 -1.453 24 1HD1 LEU 28 1HD1 LEU 28 -3.969 -16.069 -0.655 25 2HD1 LEU 28 2HD1 LEU 28 -5.547 -16.490 -1.313 26 3HD1 LEU 28 3HD1 LEU 28 -4.088 -16.713 -2.308 27 1HD2 LEU 28 1HD2 LEU 28 -2.642 -14.728 -2.652 28 2HD2 LEU 28 2HD2 LEU 28 -3.299 -13.111 -2.692 29 3HD2 LEU 28 3HD2 LEU 28 -2.965 -13.889 -1.125 30 HA PRO 29 HA PRO 29 -10.501 -13.947 -2.869 31 1HB PRO 29 1HB PRO 29 -11.647 -15.292 -0.797 32 2HB PRO 29 2HB PRO 29 -11.431 -16.057 -2.402 33 1HG PRO 29 1HG PRO 29 -9.653 -16.307 0.040 34 2HG PRO 29 2HG PRO 29 -10.258 -17.627 -1.024 35 1HD PRO 29 1HD PRO 29 -7.773 -16.529 -1.289 36 2HD PRO 29 2HD PRO 29 -8.697 -17.173 -2.668 37 HA PRO 30 HA PRO 30 -9.446 -10.926 0.054 38 1HB PRO 30 1HB PRO 30 -11.730 -9.818 1.010 39 2HB PRO 30 2HB PRO 30 -11.111 -9.626 -0.659 40 1HG PRO 30 1HG PRO 30 -13.198 -11.568 0.344 41 2HG PRO 30 2HG PRO 30 -13.248 -10.533 -1.127 42 1HD PRO 30 1HD PRO 30 -12.523 -13.182 -1.187 43 2HD PRO 30 2HD PRO 30 -11.790 -11.989 -2.286 44 H GLY 31 H GLY 31 -9.251 -10.224 2.268 45 1HA GLY 31 1HA GLY 31 -10.113 -11.472 4.638 46 2HA GLY 31 2HA GLY 31 -8.758 -12.414 3.983 47 H THR 32 H THR 32 -7.330 -11.741 5.752 48 HA THR 32 HA THR 32 -5.966 -9.253 5.062 49 HB THR 32 HB THR 32 -7.188 -8.567 7.003 50 HG1 THR 32 1HG THR 32 -4.586 -9.227 7.873 51 1HG2 THR 32 1HG2 THR 32 -6.745 -9.593 9.242 52 2HG2 THR 32 2HG2 THR 32 -7.789 -10.555 8.174 53 3HG2 THR 32 3HG2 THR 32 -6.084 -11.014 8.427 54 H TYR 33 H TYR 33 -3.633 -9.402 5.444 55 HA TYR 33 HA TYR 33 -2.623 -12.009 6.343 56 1HB TYR 33 1HB TYR 33 -0.844 -11.619 4.381 57 2HB TYR 33 2HB TYR 33 -2.238 -12.709 4.296 58 HD1 TYR 33 1HD TYR 33 -1.478 -9.045 3.486 59 HD2 TYR 33 2HD TYR 33 -3.347 -12.751 2.310 60 HE1 TYR 33 1HE TYR 33 -2.277 -7.969 1.444 61 HE2 TYR 33 2HE TYR 33 -3.987 -11.728 0.175 62 HH TYR 33 HH TYR 33 -3.076 -8.350 -0.731 63 H ARG 34 H ARG 34 -0.647 -11.937 7.297 64 HA ARG 34 HA ARG 34 0.064 -9.279 8.358 65 1HB ARG 34 1HB ARG 34 -0.497 -11.287 9.786 66 2HB ARG 34 2HB ARG 34 0.982 -12.059 9.239 67 1HG ARG 34 1HG ARG 34 0.766 -9.415 10.731 68 2HG ARG 34 2HG ARG 34 1.168 -11.002 11.432 69 1HD ARG 34 1HD ARG 34 3.046 -10.637 9.410 70 2HD ARG 34 2HD ARG 34 2.889 -9.028 10.099 71 HE ARG 34 HE ARG 34 4.459 -10.995 11.056 72 1HH1 ARG 34 2HH2 ARG 34 1.768 -9.250 12.763 73 2HH1 ARG 34 1HH2 ARG 34 2.606 -9.380 14.265 74 1HH2 ARG 34 2HH1 ARG 34 5.258 -11.355 13.107 75 2HH2 ARG 34 1HH1 ARG 34 4.651 -10.467 14.457 76 H VAL 35 H VAL 35 1.504 -8.207 7.072 77 HA VAL 35 HA VAL 35 3.987 -9.581 6.320 78 HB VAL 35 HB VAL 35 3.736 -8.762 3.970 79 1HG1 VAL 35 1HG1 VAL 35 3.138 -11.153 4.827 80 2HG1 VAL 35 2HG1 VAL 35 1.479 -10.698 4.412 81 3HG1 VAL 35 3HG1 VAL 35 2.780 -10.676 3.187 82 1HG2 VAL 35 1HG2 VAL 35 1.491 -8.290 3.061 83 2HG2 VAL 35 2HG2 VAL 35 0.802 -8.315 4.687 84 3HG2 VAL 35 3HG2 VAL 35 1.986 -7.062 4.258 85 H ASP 36 H ASP 36 5.439 -8.079 5.192 86 HA ASP 36 HA ASP 36 5.651 -5.658 6.867 87 1HB ASP 36 1HB ASP 36 7.819 -6.747 5.079 88 2HB ASP 36 2HB ASP 36 7.931 -5.648 6.473 89 HD2 ASP 36 HD ASP 36 8.757 -9.262 7.230 90 H ILE 37 H ILE 37 4.812 -3.952 5.871 91 HA ILE 37 HA ILE 37 4.498 -3.707 2.979 92 HB ILE 37 HB ILE 37 4.223 -1.599 5.169 93 1HG1 ILE 37 1HG1 ILE 37 1.686 -1.968 4.508 94 2HG1 ILE 37 2HG1 ILE 37 2.224 -3.608 4.130 95 1HG2 ILE 37 1HG2 ILE 37 2.917 -0.382 3.431 96 2HG2 ILE 37 2HG2 ILE 37 4.569 -0.661 2.919 97 3HG2 ILE 37 3HG2 ILE 37 3.260 -1.681 2.266 98 1HD1 ILE 37 1HD1 ILE 37 2.588 -2.266 6.844 99 2HD1 ILE 37 2HD1 ILE 37 1.258 -3.348 6.438 100 3HD1 ILE 37 3HD1 ILE 37 2.901 -3.973 6.461 101 H TYR 38 H TYR 38 6.155 -3.409 1.713 102 HA TYR 38 HA TYR 38 8.648 -2.107 2.706 103 1HB TYR 38 1HB TYR 38 8.067 -4.494 1.002 104 2HB TYR 38 2HB TYR 38 9.266 -3.349 0.349 105 HD1 TYR 38 1HD TYR 38 8.581 -4.990 3.700 106 HD2 TYR 38 2HD TYR 38 11.404 -3.885 0.655 107 HE1 TYR 38 1HE TYR 38 10.434 -5.944 5.064 108 HE2 TYR 38 2HE TYR 38 13.255 -4.661 2.033 109 HH TYR 38 HH TYR 38 13.869 -5.706 3.963 110 H LEU 39 H LEU 39 8.892 -0.117 1.709 111 HA LEU 39 HA LEU 39 7.361 0.400 -0.791 112 1HB LEU 39 1HB LEU 39 6.535 1.662 1.159 113 2HB LEU 39 2HB LEU 39 8.174 2.329 1.369 114 HG LEU 39 HG LEU 39 7.919 3.186 -1.076 115 1HD1 LEU 39 1HD1 LEU 39 5.023 2.616 -0.283 116 2HD1 LEU 39 2HD1 LEU 39 5.514 3.610 -1.672 117 3HD1 LEU 39 3HD1 LEU 39 5.878 1.875 -1.670 118 1HD2 LEU 39 1HD2 LEU 39 7.791 4.531 1.067 119 2HD2 LEU 39 2HD2 LEU 39 6.979 5.176 -0.379 120 3HD2 LEU 39 3HD2 LEU 39 6.015 4.381 0.889 121 H ASN 40 H ASN 40 8.630 0.984 -2.498 122 HA ASN 40 HA ASN 40 10.541 1.062 -3.740 123 1HB ASN 40 1HB ASN 40 11.039 3.300 -1.768 124 2HB ASN 40 2HB ASN 40 12.220 2.922 -3.052 125 1HD2 ASN 40 1HD2 ASN 40 9.965 5.144 -2.422 126 2HD2 ASN 40 2HD2 ASN 40 9.198 5.293 -4.007 127 H ASN 41 H ASN 41 10.420 -1.056 -2.201 128 HA ASN 41 HA ASN 41 11.456 -2.800 -1.457 129 1HB ASN 41 1HB ASN 41 13.475 -1.497 -3.182 130 2HB ASN 41 2HB ASN 41 14.076 -2.829 -2.181 131 1HD2 ASN 41 1HD2 ASN 41 11.723 -1.957 -4.711 132 2HD2 ASN 41 2HD2 ASN 41 11.194 -3.560 -5.089 133 H GLY 42 H GLY 42 11.284 -0.519 0.503 134 1HA GLY 42 1HA GLY 42 13.233 -1.720 2.400 135 2HA GLY 42 2HA GLY 42 13.088 0.026 2.204 136 H TYR 43 H TYR 43 12.366 -2.077 4.383 137 HA TYR 43 HA TYR 43 9.609 -2.445 4.839 138 1HB TYR 43 1HB TYR 43 11.194 -3.638 6.129 139 2HB TYR 43 2HB TYR 43 12.111 -2.176 6.548 140 HD1 TYR 43 1HD TYR 43 8.674 -3.637 7.043 141 HD2 TYR 43 2HD TYR 43 11.906 -1.308 8.700 142 HE1 TYR 43 1HE TYR 43 7.444 -3.391 9.147 143 HE2 TYR 43 2HE TYR 43 10.642 -1.050 10.801 144 HH TYR 43 HH TYR 43 8.614 -1.505 11.952 145 H MET 44 H MET 44 8.000 -1.185 5.582 146 HA MET 44 HA MET 44 8.532 1.521 6.736 147 1HB MET 44 1HB MET 44 6.311 0.637 4.864 148 2HB MET 44 2HB MET 44 6.386 2.259 5.569 149 1HG MET 44 1HG MET 44 8.627 1.196 3.867 150 2HG MET 44 2HG MET 44 7.124 1.934 3.221 151 1HE MET 44 1HE MET 44 9.813 2.961 6.135 152 2HE MET 44 2HE MET 44 10.638 2.495 4.627 153 3HE MET 44 3HE MET 44 10.625 4.186 5.169 154 H ALA 45 H ALA 45 6.304 -1.344 6.777 155 HA ALA 45 HA ALA 45 5.875 -0.977 9.591 156 1HB ALA 45 1HB ALA 45 3.291 -0.955 9.312 157 2HB ALA 45 2HB ALA 45 4.133 0.576 9.031 158 3HB ALA 45 3HB ALA 45 3.586 -0.404 7.641 159 H THR 46 H THR 46 4.284 -2.809 10.340 160 HA THR 46 HA THR 46 4.113 -5.087 8.582 161 HB THR 46 HB THR 46 5.759 -5.257 11.139 162 HG1 THR 46 1HG THR 46 6.769 -6.463 8.920 163 1HG2 THR 46 1HG2 THR 46 4.685 -7.472 9.337 164 2HG2 THR 46 2HG2 THR 46 5.940 -7.702 10.569 165 3HG2 THR 46 3HG2 THR 46 4.313 -7.218 11.067 166 H ARG 47 H ARG 47 2.066 -5.720 8.918 167 HA ARG 47 HA ARG 47 0.980 -6.270 11.429 168 1HB ARG 47 1HB ARG 47 -0.980 -4.628 11.276 169 2HB ARG 47 2HB ARG 47 0.561 -4.069 11.983 170 1HG ARG 47 1HG ARG 47 0.154 -2.249 10.797 171 2HG ARG 47 2HG ARG 47 0.880 -3.147 9.462 172 1HD ARG 47 1HD ARG 47 -1.020 -2.336 8.491 173 2HD ARG 47 2HD ARG 47 -1.577 -3.920 8.957 174 HE ARG 47 HE ARG 47 -2.340 -1.273 10.005 175 1HH1 ARG 47 2HH2 ARG 47 -3.159 -4.739 10.233 176 2HH1 ARG 47 1HH2 ARG 47 -4.371 -4.445 11.428 177 1HH2 ARG 47 2HH1 ARG 47 -4.121 -0.996 11.454 178 2HH2 ARG 47 1HH1 ARG 47 -5.030 -2.409 11.891 179 H ASP 48 H ASP 48 -1.547 -6.575 11.013 180 HA ASP 48 HA ASP 48 -1.786 -8.411 8.769 181 1HB ASP 48 1HB ASP 48 -2.865 -8.295 11.249 182 2HB ASP 48 2HB ASP 48 -4.167 -7.526 10.350 183 HD2 ASP 48 HD ASP 48 -3.829 -11.010 8.652 184 H VAL 49 H VAL 49 -2.045 -7.528 6.721 185 HA VAL 49 HA VAL 49 -3.370 -4.875 6.410 186 HB VAL 49 HB VAL 49 -1.860 -6.399 4.273 187 1HG1 VAL 49 1HG1 VAL 49 -1.520 -4.114 3.400 188 2HG1 VAL 49 2HG1 VAL 49 -3.259 -4.417 3.647 189 3HG1 VAL 49 3HG1 VAL 49 -2.358 -3.422 4.802 190 1HG2 VAL 49 1HG2 VAL 49 0.089 -4.912 4.886 191 2HG2 VAL 49 2HG2 VAL 49 -0.735 -4.574 6.434 192 3HG2 VAL 49 3HG2 VAL 49 -0.216 -6.220 6.026 193 H THR 50 H THR 50 -5.553 -5.248 6.521 194 HA THR 50 HA THR 50 -6.892 -7.380 5.167 195 HB THR 50 HB THR 50 -7.827 -4.542 5.775 196 HG1 THR 50 1HG THR 50 -8.124 -5.183 7.708 197 1HG2 THR 50 1HG2 THR 50 -10.094 -5.603 5.895 198 2HG2 THR 50 2HG2 THR 50 -9.400 -5.584 4.274 199 3HG2 THR 50 3HG2 THR 50 -9.384 -7.085 5.207 200 H PHE 51 H PHE 51 -7.606 -7.460 3.056 201 HA PHE 51 HA PHE 51 -7.148 -5.166 1.240 202 1HB PHE 51 1HB PHE 51 -7.004 -7.142 -0.480 203 2HB PHE 51 2HB PHE 51 -5.577 -6.740 0.500 204 HD1 PHE 51 1HD PHE 51 -7.966 -9.339 -0.318 205 HD2 PHE 51 2HD PHE 51 -5.018 -8.045 2.508 206 HE1 PHE 51 1HE PHE 51 -7.606 -11.694 0.475 207 HE2 PHE 51 2HE PHE 51 -4.880 -10.315 3.402 208 HZ PHE 51 HZ PHE 51 -6.149 -12.169 2.400 209 H ASN 52 H ASN 52 -8.506 -5.527 -0.778 210 HA ASN 52 HA ASN 52 -11.214 -6.645 -0.241 211 1HB ASN 52 1HB ASN 52 -10.448 -3.946 -1.394 212 2HB ASN 52 2HB ASN 52 -11.927 -4.775 -1.938 213 1HD2 ASN 52 1HD2 ASN 52 -10.787 -4.963 1.402 214 2HD2 ASN 52 2HD2 ASN 52 -11.973 -3.915 2.105 215 H THR 53 H THR 53 -12.239 -7.112 -2.412 216 HA THR 53 HA THR 53 -10.462 -8.577 -4.143 217 HB THR 53 HB THR 53 -13.139 -7.816 -5.162 218 HG1 THR 53 1HG THR 53 -13.744 -7.844 -3.043 219 1HG2 THR 53 1HG2 THR 53 -13.336 -10.249 -5.437 220 2HG2 THR 53 2HG2 THR 53 -11.752 -9.707 -6.040 221 3HG2 THR 53 3HG2 THR 53 -11.877 -10.495 -4.451 222 H GLY 54 H GLY 54 -9.607 -7.918 -6.232 223 1HA GLY 54 1HA GLY 54 -10.662 -5.599 -7.529 224 2HA GLY 54 2HA GLY 54 -9.078 -5.248 -6.827 225 H ASP 55 H ASP 55 -9.613 -5.202 -9.557 226 HA ASP 55 HA ASP 55 -8.573 -7.544 -10.885 227 1HB ASP 55 1HB ASP 55 -9.515 -4.892 -11.571 228 2HB ASP 55 2HB ASP 55 -7.908 -5.106 -12.280 229 HD2 ASP 55 HD ASP 55 -10.586 -7.795 -13.544 230 H SER 56 H SER 56 -6.629 -8.311 -10.084 231 HA SER 56 HA SER 56 -4.225 -6.786 -10.411 232 1HB SER 56 1HB SER 56 -5.441 -7.177 -7.649 233 2HB SER 56 2HB SER 56 -3.681 -7.089 -7.836 234 HG SER 56 HG SER 56 -5.390 -5.208 -9.035 235 H GLU 57 H GLU 57 -2.345 -8.178 -9.253 236 HA GLU 57 HA GLU 57 -2.243 -10.476 -10.826 237 1HB GLU 57 1HB GLU 57 -0.543 -9.688 -8.432 238 2HB GLU 57 2HB GLU 57 -0.198 -11.021 -9.578 239 1HG GLU 57 1HG GLU 57 -0.671 -8.890 -11.265 240 2HG GLU 57 2HG GLU 57 0.132 -8.089 -9.919 241 HE2 GLU 57 HE GLU 57 3.100 -9.049 -11.431 242 H GLN 58 H GLN 58 -2.707 -10.310 -7.269 243 HA GLN 58 HA GLN 58 -3.374 -13.205 -7.306 244 1HB GLN 58 1HB GLN 58 -3.625 -11.637 -4.805 245 2HB GLN 58 2HB GLN 58 -2.972 -13.269 -5.125 246 1HG GLN 58 1HG GLN 58 -1.021 -12.173 -4.590 247 2HG GLN 58 2HG GLN 58 -0.999 -11.859 -6.318 248 1HE2 GLN 58 1HE2 GLN 58 -1.952 -10.532 -3.119 249 2HE2 GLN 58 2HE2 GLN 58 -1.974 -8.852 -3.591 250 H GLY 59 H GLY 59 -5.125 -10.356 -7.816 251 1HA GLY 59 1HA GLY 59 -7.409 -10.311 -8.360 252 2HA GLY 59 2HA GLY 59 -7.682 -11.716 -7.343 253 H ILE 60 H ILE 60 -5.769 -9.288 -5.773 254 HA ILE 60 HA ILE 60 -8.026 -8.051 -4.372 255 HB ILE 60 HB ILE 60 -6.731 -8.876 -2.209 256 1HG1 ILE 60 1HG1 ILE 60 -6.086 -11.209 -4.022 257 2HG1 ILE 60 2HG1 ILE 60 -4.904 -9.976 -3.487 258 1HG2 ILE 60 1HG2 ILE 60 -8.593 -10.742 -3.773 259 2HG2 ILE 60 2HG2 ILE 60 -8.285 -10.839 -2.049 260 3HG2 ILE 60 3HG2 ILE 60 -9.091 -9.423 -2.689 261 1HD1 ILE 60 1HD1 ILE 60 -6.420 -11.942 -1.739 262 2HD1 ILE 60 2HD1 ILE 60 -4.674 -11.745 -1.963 263 3HD1 ILE 60 3HD1 ILE 60 -5.571 -10.514 -1.116 264 H VAL 61 H VAL 61 -7.391 -6.245 -3.070 265 HA VAL 61 HA VAL 61 -4.584 -5.359 -3.367 266 HB VAL 61 HB VAL 61 -5.139 -3.208 -4.080 267 1HG1 VAL 61 1HG1 VAL 61 -6.909 -5.070 -5.737 268 2HG1 VAL 61 2HG1 VAL 61 -6.155 -3.561 -6.256 269 3HG1 VAL 61 3HG1 VAL 61 -5.136 -4.954 -5.840 270 1HG2 VAL 61 1HG2 VAL 61 -8.081 -3.875 -3.713 271 2HG2 VAL 61 2HG2 VAL 61 -7.133 -2.607 -2.897 272 3HG2 VAL 61 3HG2 VAL 61 -7.478 -2.462 -4.615 273 HA PRO 62 HA PRO 62 -5.011 -4.740 1.076 274 1HB PRO 62 1HB PRO 62 -2.906 -3.043 1.479 275 2HB PRO 62 2HB PRO 62 -2.850 -4.832 1.344 276 1HG PRO 62 1HG PRO 62 -2.039 -2.791 -0.642 277 2HG PRO 62 2HG PRO 62 -1.479 -4.496 -0.426 278 1HD PRO 62 1HD PRO 62 -3.254 -3.563 -2.390 279 2HD PRO 62 2HD PRO 62 -2.990 -5.254 -1.903 280 H CYS 63 H CYS 63 -5.818 -3.388 2.518 281 HA CYS 63 HA CYS 63 -7.275 -0.996 1.661 282 1HB CYS 63 1HB CYS 63 -7.134 -2.596 4.237 283 2HB CYS 63 2HB CYS 63 -8.220 -1.226 3.953 284 HG CYS 63 HG CYS 63 -9.581 -3.451 3.967 285 H LEU 64 H LEU 64 -5.638 0.570 1.442 286 HA LEU 64 HA LEU 64 -3.809 1.006 3.782 287 1HB LEU 64 1HB LEU 64 -3.554 1.949 0.923 288 2HB LEU 64 2HB LEU 64 -2.354 2.086 2.235 289 HG LEU 64 HG LEU 64 -3.145 -0.712 1.573 290 1HD1 LEU 64 1HD1 LEU 64 -3.122 0.104 -0.698 291 2HD1 LEU 64 2HD1 LEU 64 -1.651 1.054 -0.402 292 3HD1 LEU 64 3HD1 LEU 64 -1.586 -0.703 -0.434 293 1HD2 LEU 64 1HD2 LEU 64 -0.759 -1.070 1.878 294 2HD2 LEU 64 2HD2 LEU 64 -0.455 0.676 1.924 295 3HD2 LEU 64 3HD2 LEU 64 -1.383 -0.110 3.220 296 H THR 65 H THR 65 -3.562 3.255 4.415 297 HA THR 65 HA THR 65 -6.127 4.685 4.482 298 HB THR 65 HB THR 65 -6.120 4.262 6.740 299 HG1 THR 65 1HG THR 65 -4.567 4.407 8.047 300 1HG2 THR 65 1HG2 THR 65 -5.092 2.060 7.316 301 2HG2 THR 65 2HG2 THR 65 -5.847 2.004 5.708 302 3HG2 THR 65 3HG2 THR 65 -4.081 2.158 5.831 303 H ARG 66 H ARG 66 -5.948 7.054 5.047 304 HA ARG 66 HA ARG 66 -3.894 8.398 3.813 305 1HB ARG 66 1HB ARG 66 -6.112 9.319 4.758 306 2HB ARG 66 2HB ARG 66 -5.307 9.407 6.346 307 1HG ARG 66 1HG ARG 66 -4.544 11.447 5.775 308 2HG ARG 66 2HG ARG 66 -3.547 10.684 4.512 309 1HD ARG 66 1HD ARG 66 -4.774 12.229 3.277 310 2HD ARG 66 2HD ARG 66 -5.713 10.716 3.113 311 HE ARG 66 HE ARG 66 -7.431 11.587 4.292 312 1HH1 ARG 66 2HH2 ARG 66 -4.766 14.004 4.690 313 2HH1 ARG 66 1HH2 ARG 66 -5.738 14.919 5.782 314 1HH2 ARG 66 2HH1 ARG 66 -8.592 12.879 5.554 315 2HH2 ARG 66 1HH1 ARG 66 -8.040 14.408 6.128 316 H ALA 67 H ALA 67 -3.912 7.037 6.900 317 HA ALA 67 HA ALA 67 -1.575 8.570 7.914 318 1HB ALA 67 1HB ALA 67 -1.713 7.163 9.916 319 2HB ALA 67 2HB ALA 67 -3.198 8.053 9.579 320 3HB ALA 67 3HB ALA 67 -3.122 6.297 9.232 321 H GLN 68 H GLN 68 -2.340 5.163 6.849 322 HA GLN 68 HA GLN 68 0.263 4.109 7.487 323 1HB GLN 68 1HB GLN 68 -2.032 3.348 5.646 324 2HB GLN 68 2HB GLN 68 -0.527 2.424 5.593 325 1HG GLN 68 1HG GLN 68 -1.480 2.820 8.352 326 2HG GLN 68 2HG GLN 68 -2.707 2.025 7.353 327 1HE2 GLN 68 1HE2 GLN 68 -2.314 -0.067 6.388 328 2HE2 GLN 68 2HE2 GLN 68 -0.914 -0.983 6.872 329 H LEU 69 H LEU 69 -1.253 5.436 4.600 330 HA LEU 69 HA LEU 69 0.935 5.487 2.822 331 1HB LEU 69 1HB LEU 69 -1.569 7.158 3.205 332 2HB LEU 69 2HB LEU 69 -0.372 7.491 1.913 333 HG LEU 69 HG LEU 69 -0.649 4.841 1.559 334 1HD1 LEU 69 1HD1 LEU 69 -1.984 4.185 3.099 335 2HD1 LEU 69 2HD1 LEU 69 -3.312 5.306 2.486 336 3HD1 LEU 69 3HD1 LEU 69 -2.704 4.016 1.483 337 1HD2 LEU 69 1HD2 LEU 69 -2.757 7.019 0.914 338 2HD2 LEU 69 2HD2 LEU 69 -1.315 6.771 -0.112 339 3HD2 LEU 69 3HD2 LEU 69 -2.593 5.559 -0.101 340 H ALA 70 H ALA 70 -0.202 8.293 4.846 341 HA ALA 70 HA ALA 70 2.203 9.753 4.222 342 1HB ALA 70 1HB ALA 70 0.184 10.141 6.472 343 2HB ALA 70 2HB ALA 70 1.361 11.334 5.857 344 3HB ALA 70 3HB ALA 70 0.030 10.793 4.818 345 H SER 71 H SER 71 2.033 6.935 5.991 346 HA SER 71 HA SER 71 4.021 7.769 8.047 347 1HB SER 71 1HB SER 71 2.767 5.061 7.557 348 2HB SER 71 2HB SER 71 3.984 5.469 8.797 349 HG SER 71 HG SER 71 1.408 6.596 8.500 350 H MET 72 H MET 72 3.527 5.432 5.288 351 HA MET 72 HA MET 72 6.359 4.968 4.944 352 1HB MET 72 1HB MET 72 5.719 3.923 2.822 353 2HB MET 72 2HB MET 72 4.684 3.322 4.107 354 1HG MET 72 1HG MET 72 2.905 4.770 3.491 355 2HG MET 72 2HG MET 72 3.962 5.629 2.373 356 1HE MET 72 1HE MET 72 1.012 3.233 2.589 357 2HE MET 72 2HE MET 72 1.593 1.815 1.672 358 3HE MET 72 3HE MET 72 2.396 2.259 3.195 359 H GLY 73 H GLY 73 4.549 7.790 4.404 360 1HA GLY 73 1HA GLY 73 5.879 9.760 4.150 361 2HA GLY 73 2HA GLY 73 6.942 8.899 3.040 362 H LEU 74 H LEU 74 3.792 8.121 2.199 363 HA LEU 74 HA LEU 74 3.911 9.304 -0.306 364 1HB LEU 74 1HB LEU 74 2.543 7.412 0.126 365 2HB LEU 74 2HB LEU 74 1.620 8.252 1.378 366 HG LEU 74 HG LEU 74 0.503 7.729 -0.770 367 1HD1 LEU 74 1HD1 LEU 74 0.226 10.098 0.843 368 2HD1 LEU 74 2HD1 LEU 74 -0.317 10.385 -0.827 369 3HD1 LEU 74 3HD1 LEU 74 -0.989 9.061 0.139 370 1HD2 LEU 74 1HD2 LEU 74 0.647 8.919 -2.723 371 2HD2 LEU 74 2HD2 LEU 74 1.745 10.122 -2.052 372 3HD2 LEU 74 3HD2 LEU 74 2.303 8.451 -2.310 373 H ASN 75 H ASN 75 3.223 11.092 -1.101 374 HA ASN 75 HA ASN 75 2.606 13.401 0.682 375 1HB ASN 75 1HB ASN 75 4.283 13.625 -1.199 376 2HB ASN 75 2HB ASN 75 2.948 13.499 -2.345 377 1HD2 ASN 75 1HD2 ASN 75 4.682 15.894 -1.908 378 2HD2 ASN 75 2HD2 ASN 75 3.700 17.068 -1.046 379 H THR 76 H THR 76 0.438 12.872 1.362 380 HA THR 76 HA THR 76 -1.680 12.088 -0.210 381 HB THR 76 HB THR 76 -3.054 13.284 1.530 382 HG1 THR 76 1HG THR 76 -1.016 13.802 3.211 383 1HG2 THR 76 1HG2 THR 76 -2.260 10.995 1.965 384 2HG2 THR 76 2HG2 THR 76 -0.692 11.608 2.552 385 3HG2 THR 76 3HG2 THR 76 -2.174 11.971 3.455 386 H ALA 77 H ALA 77 -0.462 15.483 0.116 387 HA ALA 77 HA ALA 77 -2.760 16.517 -1.320 388 1HB ALA 77 1HB ALA 77 -0.109 17.852 -0.708 389 2HB ALA 77 2HB ALA 77 -1.656 18.635 -1.155 390 3HB ALA 77 3HB ALA 77 -1.521 17.796 0.403 391 H SER 78 H SER 78 0.073 14.896 -2.447 392 HA SER 78 HA SER 78 0.090 16.308 -5.021 393 1HB SER 78 1HB SER 78 1.485 13.821 -4.000 394 2HB SER 78 2HB SER 78 1.722 14.547 -5.610 395 HG SER 78 HG SER 78 2.698 16.185 -4.847 396 H VAL 79 H VAL 79 -2.055 14.044 -3.553 397 HA VAL 79 HA VAL 79 -2.764 12.859 -6.179 398 HB VAL 79 HB VAL 79 -3.491 11.701 -3.484 399 1HG1 VAL 79 1HG1 VAL 79 -3.144 10.567 -6.282 400 2HG1 VAL 79 2HG1 VAL 79 -3.331 9.551 -4.840 401 3HG1 VAL 79 3HG1 VAL 79 -4.613 10.667 -5.299 402 1HG2 VAL 79 1HG2 VAL 79 -0.794 11.594 -4.732 403 2HG2 VAL 79 2HG2 VAL 79 -1.257 11.771 -3.046 404 3HG2 VAL 79 3HG2 VAL 79 -1.402 10.189 -3.813 405 H ALA 80 H ALA 80 -4.455 13.959 -6.974 406 HA ALA 80 HA ALA 80 -5.602 16.085 -5.712 407 1HB ALA 80 1HB ALA 80 -6.709 14.612 -8.132 408 2HB ALA 80 2HB ALA 80 -6.897 16.343 -7.734 409 3HB ALA 80 3HB ALA 80 -5.305 15.704 -8.144 410 H GLY 81 H GLY 81 -6.763 12.943 -5.155 411 1HA GLY 81 1HA GLY 81 -9.128 14.054 -3.669 412 2HA GLY 81 2HA GLY 81 -9.277 12.622 -4.712 413 H MET 82 H MET 82 -6.709 13.767 -2.395 414 HA MET 82 HA MET 82 -7.142 11.217 -0.900 415 1HB MET 82 1HB MET 82 -5.109 11.138 -2.161 416 2HB MET 82 2HB MET 82 -4.574 12.640 -1.382 417 1HG MET 82 1HG MET 82 -3.581 11.360 0.110 418 2HG MET 82 2HG MET 82 -5.152 11.032 0.800 419 1HE MET 82 1HE MET 82 -2.390 9.961 -1.563 420 2HE MET 82 2HE MET 82 -2.640 8.207 -1.775 421 3HE MET 82 3HE MET 82 -3.656 9.360 -2.654 422 H ASN 83 H ASN 83 -6.477 14.715 -0.594 423 HA ASN 83 HA ASN 83 -6.269 14.799 2.194 424 1HB ASN 83 1HB ASN 83 -6.816 17.146 2.043 425 2HB ASN 83 2HB ASN 83 -5.685 16.688 0.774 426 1HD2 ASN 83 1HD2 ASN 83 -6.387 16.760 -1.393 427 2HD2 ASN 83 2HD2 ASN 83 -7.789 17.639 -1.917 428 H LEU 84 H LEU 84 -8.906 13.675 0.646 429 HA LEU 84 HA LEU 84 -10.907 14.470 2.629 430 1HB LEU 84 1HB LEU 84 -12.460 13.504 0.789 431 2HB LEU 84 2HB LEU 84 -11.887 15.172 0.758 432 HG LEU 84 HG LEU 84 -11.932 13.988 -1.424 433 1HD1 LEU 84 1HD1 LEU 84 -9.071 14.647 -1.164 434 2HD1 LEU 84 2HD1 LEU 84 -10.335 15.351 -2.189 435 3HD1 LEU 84 3HD1 LEU 84 -10.189 15.828 -0.480 436 1HD2 LEU 84 1HD2 LEU 84 -9.509 12.378 -0.508 437 2HD2 LEU 84 2HD2 LEU 84 -11.167 11.759 -0.440 438 3HD2 LEU 84 3HD2 LEU 84 -10.504 12.236 -1.984 439 H LEU 85 H LEU 85 -8.794 11.891 2.052 440 HA LEU 85 HA LEU 85 -10.713 9.732 2.713 441 1HB LEU 85 1HB LEU 85 -7.793 9.905 1.951 442 2HB LEU 85 2HB LEU 85 -8.455 8.394 2.587 443 HG LEU 85 HG LEU 85 -9.827 9.814 0.300 444 1HD1 LEU 85 1HD1 LEU 85 -7.928 7.667 -0.458 445 2HD1 LEU 85 2HD1 LEU 85 -8.414 9.145 -1.278 446 3HD1 LEU 85 3HD1 LEU 85 -7.199 9.232 -0.013 447 1HD2 LEU 85 1HD2 LEU 85 -11.030 7.939 1.367 448 2HD2 LEU 85 2HD2 LEU 85 -10.517 7.492 -0.262 449 3HD2 LEU 85 3HD2 LEU 85 -9.622 6.875 1.130 450 H ALA 86 H ALA 86 -9.396 8.085 4.400 451 HA ALA 86 HA ALA 86 -9.162 9.670 6.906 452 1HB ALA 86 1HB ALA 86 -10.618 7.023 6.571 453 2HB ALA 86 2HB ALA 86 -10.611 8.107 7.967 454 3HB ALA 86 3HB ALA 86 -11.442 8.608 6.485 455 H ASP 87 H ASP 87 -8.453 8.334 8.709 456 HA ASP 87 HA ASP 87 -5.827 7.265 8.305 457 1HB ASP 87 1HB ASP 87 -7.031 8.734 10.118 458 2HB ASP 87 2HB ASP 87 -7.522 7.221 10.829 459 HD2 ASP 87 HD ASP 87 -4.073 8.742 11.647 460 H ASP 88 H ASP 88 -8.950 5.739 8.481 461 HA ASP 88 HA ASP 88 -7.624 3.105 8.241 462 1HB ASP 88 1HB ASP 88 -9.926 4.009 10.037 463 2HB ASP 88 2HB ASP 88 -9.856 2.327 9.462 464 HD2 ASP 88 HD ASP 88 -7.184 1.525 11.542 465 H ALA 89 H ALA 89 -8.328 4.944 6.212 466 HA ALA 89 HA ALA 89 -10.826 4.146 4.938 467 1HB ALA 89 1HB ALA 89 -9.866 5.335 2.961 468 2HB ALA 89 2HB ALA 89 -9.920 6.303 4.435 469 3HB ALA 89 3HB ALA 89 -8.376 5.603 3.904 470 H CYS 90 H CYS 90 -10.505 3.275 2.511 471 HA CYS 90 HA CYS 90 -8.334 1.253 2.355 472 1HB CYS 90 1HB CYS 90 -11.133 1.018 1.207 473 2HB CYS 90 2HB CYS 90 -9.820 -0.170 1.045 474 HG CYS 90 HG CYS 90 -11.685 -1.124 2.598 475 H VAL 91 H VAL 91 -7.478 3.390 1.701 476 HA VAL 91 HA VAL 91 -8.015 4.960 -0.543 477 HB VAL 91 HB VAL 91 -5.319 4.192 0.642 478 1HG1 VAL 91 1HG1 VAL 91 -5.010 5.178 -1.537 479 2HG1 VAL 91 2HG1 VAL 91 -6.202 6.448 -1.207 480 3HG1 VAL 91 3HG1 VAL 91 -4.674 6.409 -0.328 481 1HG2 VAL 91 1HG2 VAL 91 -5.485 6.127 1.970 482 2HG2 VAL 91 2HG2 VAL 91 -7.088 6.565 1.266 483 3HG2 VAL 91 3HG2 VAL 91 -6.902 5.167 2.309 484 HA PRO 92 HA PRO 92 -7.009 1.735 -3.623 485 1HB PRO 92 1HB PRO 92 -7.935 3.008 -5.821 486 2HB PRO 92 2HB PRO 92 -9.021 2.272 -4.619 487 1HG PRO 92 1HG PRO 92 -8.316 5.166 -5.025 488 2HG PRO 92 2HG PRO 92 -9.892 4.459 -4.524 489 1HD PRO 92 1HD PRO 92 -7.853 5.551 -2.852 490 2HD PRO 92 2HD PRO 92 -9.270 4.647 -2.322 491 H LEU 93 H LEU 93 -4.845 2.344 -2.841 492 HA LEU 93 HA LEU 93 -3.533 4.681 -3.714 493 1HB LEU 93 1HB LEU 93 -2.922 3.097 -1.816 494 2HB LEU 93 2HB LEU 93 -2.116 2.135 -3.045 495 HG LEU 93 HG LEU 93 -1.567 5.105 -2.663 496 1HD1 LEU 93 1HD1 LEU 93 0.205 4.628 -1.149 497 2HD1 LEU 93 2HD1 LEU 93 -1.235 3.801 -0.525 498 3HD1 LEU 93 3HD1 LEU 93 0.009 2.870 -1.351 499 1HD2 LEU 93 1HD2 LEU 93 0.534 4.762 -3.717 500 2HD2 LEU 93 2HD2 LEU 93 0.415 3.000 -3.599 501 3HD2 LEU 93 3HD2 LEU 93 -0.592 3.875 -4.739 502 H THR 94 H THR 94 -3.542 1.375 -5.048 503 HA THR 94 HA THR 94 -1.804 2.002 -7.230 504 HB THR 94 HB THR 94 -2.671 -0.308 -7.990 505 HG1 THR 94 1HG THR 94 -3.910 -1.411 -6.636 506 1HG2 THR 94 1HG2 THR 94 -0.613 0.098 -6.636 507 2HG2 THR 94 2HG2 THR 94 -1.553 -0.117 -5.166 508 3HG2 THR 94 3HG2 THR 94 -1.386 -1.460 -6.303 509 H THR 95 H THR 95 -5.257 2.601 -6.869 510 HA THR 95 HA THR 95 -5.573 2.900 -9.786 511 HB THR 95 HB THR 95 -7.415 4.041 -7.671 512 HG1 THR 95 1HG THR 95 -7.480 1.397 -8.741 513 1HG2 THR 95 1HG2 THR 95 -7.951 3.041 -10.496 514 2HG2 THR 95 2HG2 THR 95 -9.124 3.791 -9.374 515 3HG2 THR 95 3HG2 THR 95 -7.781 4.740 -10.014 516 H MET 96 H MET 96 -5.559 5.055 -6.867 517 HA MET 96 HA MET 96 -5.718 7.365 -8.497 518 1HB MET 96 1HB MET 96 -5.252 6.841 -5.569 519 2HB MET 96 2HB MET 96 -5.010 8.485 -6.216 520 1HG MET 96 1HG MET 96 -7.382 8.081 -7.266 521 2HG MET 96 2HG MET 96 -7.491 6.885 -5.966 522 1HE MET 96 1HE MET 96 -5.493 8.897 -3.812 523 2HE MET 96 2HE MET 96 -6.835 9.417 -2.802 524 3HE MET 96 3HE MET 96 -6.731 7.717 -3.304 525 H VAL 97 H VAL 97 -2.870 5.859 -6.808 526 HA VAL 97 HA VAL 97 -1.065 7.844 -8.019 527 HB VAL 97 HB VAL 97 -0.455 5.451 -6.241 528 1HG1 VAL 97 1HG1 VAL 97 1.664 6.660 -5.831 529 2HG1 VAL 97 2HG1 VAL 97 1.450 6.190 -7.524 530 3HG1 VAL 97 3HG1 VAL 97 1.196 7.855 -7.068 531 1HG2 VAL 97 1HG2 VAL 97 -1.818 6.817 -4.874 532 2HG2 VAL 97 2HG2 VAL 97 -0.156 7.210 -4.418 533 3HG2 VAL 97 3HG2 VAL 97 -1.089 8.314 -5.466 534 H GLN 98 H GLN 98 -0.906 7.413 -10.161 535 HA GLN 98 HA GLN 98 -0.954 4.721 -11.241 536 1HB GLN 98 1HB GLN 98 -1.328 7.130 -12.378 537 2HB GLN 98 2HB GLN 98 0.412 7.006 -12.661 538 1HG GLN 98 1HG GLN 98 -0.099 4.665 -13.644 539 2HG GLN 98 2HG GLN 98 -1.813 5.126 -13.585 540 1HE2 GLN 98 1HE2 GLN 98 0.108 4.537 -15.862 541 2HE2 GLN 98 2HE2 GLN 98 0.073 5.928 -16.917 542 H ASP 99 H ASP 99 1.021 3.708 -12.157 543 HA ASP 99 HA ASP 99 3.106 2.954 -12.160 544 1HB ASP 99 1HB ASP 99 3.624 5.539 -12.374 545 2HB ASP 99 2HB ASP 99 4.344 5.286 -10.776 546 HD2 ASP 99 HD ASP 99 6.209 2.897 -13.311 547 H ALA 100 H ALA 100 1.536 3.663 -9.306 548 HA ALA 100 HA ALA 100 3.403 2.264 -7.515 549 1HB ALA 100 1HB ALA 100 1.959 4.180 -6.805 550 2HB ALA 100 2HB ALA 100 0.515 3.197 -7.179 551 3HB ALA 100 3HB ALA 100 1.616 2.740 -5.885 552 H THR 101 H THR 101 2.930 0.277 -6.558 553 HA THR 101 HA THR 101 0.739 -1.399 -7.598 554 HB THR 101 HB THR 101 2.356 -3.294 -7.993 555 HG1 THR 101 1HG THR 101 4.323 -1.288 -8.373 556 1HG2 THR 101 1HG2 THR 101 2.968 -2.662 -10.281 557 2HG2 THR 101 2HG2 THR 101 1.344 -2.114 -9.911 558 3HG2 THR 101 3HG2 THR 101 2.660 -0.947 -9.919 559 H ALA 102 H ALA 102 0.135 -3.088 -6.002 560 HA ALA 102 HA ALA 102 1.854 -3.328 -3.613 561 1HB ALA 102 1HB ALA 102 -0.229 -3.444 -2.298 562 2HB ALA 102 2HB ALA 102 -0.075 -1.904 -3.137 563 3HB ALA 102 3HB ALA 102 -1.196 -3.120 -3.753 564 H HIS 103 H HIS 103 2.784 -5.309 -4.207 565 HA HIS 103 HA HIS 103 0.881 -7.502 -4.759 566 1HB HIS 103 1HB HIS 103 2.186 -7.864 -6.523 567 2HB HIS 103 2HB HIS 103 3.402 -6.691 -5.943 568 HD1 HIS 103 1HD HIS 103 5.543 -7.797 -6.517 569 HD2 HIS 103 2HD HIS 103 2.833 -10.352 -4.559 570 HE1 HIS 103 1HE HIS 103 6.874 -9.837 -5.775 571 HE2 HIS 103 2HE HIS 103 5.227 -11.439 -4.620 572 H LEU 104 H LEU 104 0.594 -9.061 -3.282 573 HA LEU 104 HA LEU 104 2.103 -9.005 -0.756 574 1HB LEU 104 1HB LEU 104 -0.190 -9.310 -0.455 575 2HB LEU 104 2HB LEU 104 -0.326 -10.444 -1.801 576 HG LEU 104 HG LEU 104 1.214 -11.965 -0.295 577 1HD1 LEU 104 1HD1 LEU 104 0.094 -10.044 1.697 578 2HD1 LEU 104 2HD1 LEU 104 0.767 -11.645 2.086 579 3HD1 LEU 104 3HD1 LEU 104 1.777 -10.392 1.322 580 1HD2 LEU 104 1HD2 LEU 104 -1.664 -11.688 -0.563 581 2HD2 LEU 104 2HD2 LEU 104 -0.611 -13.047 -0.797 582 3HD2 LEU 104 3HD2 LEU 104 -1.084 -12.651 0.844 583 H ASP 105 H ASP 105 4.030 -9.880 -0.800 584 HA ASP 105 HA ASP 105 4.711 -12.384 -2.211 585 1HB ASP 105 1HB ASP 105 6.308 -10.388 -2.016 586 2HB ASP 105 2HB ASP 105 6.387 -10.722 -0.296 587 HD2 ASP 105 HD ASP 105 9.009 -12.521 -2.185 588 H VAL 106 H VAL 106 2.932 -13.548 -0.910 589 HA VAL 106 HA VAL 106 2.997 -13.471 1.900 590 HB VAL 106 HB VAL 106 1.271 -14.423 0.207 591 1HG1 VAL 106 1HG1 VAL 106 2.786 -17.005 0.755 592 2HG1 VAL 106 2HG1 VAL 106 1.241 -16.843 -0.072 593 3HG1 VAL 106 3HG1 VAL 106 2.689 -16.147 -0.804 594 1HG2 VAL 106 1HG2 VAL 106 1.791 -15.785 2.846 595 2HG2 VAL 106 2HG2 VAL 106 0.981 -14.222 2.611 596 3HG2 VAL 106 3HG2 VAL 106 0.235 -15.701 1.989 597 H GLY 107 H GLY 107 5.116 -15.038 -0.394 598 1HA GLY 107 1HA GLY 107 6.022 -17.168 1.197 599 2HA GLY 107 2HA GLY 107 6.884 -16.455 -0.194 600 H GLN 108 H GLN 108 7.366 -13.864 0.601 601 HA GLN 108 HA GLN 108 9.333 -14.266 2.769 602 1HB GLN 108 1HB GLN 108 9.524 -12.923 0.426 603 2HB GLN 108 2HB GLN 108 8.984 -11.584 1.452 604 1HG GLN 108 1HG GLN 108 11.383 -11.564 1.480 605 2HG GLN 108 2HG GLN 108 10.887 -12.192 3.054 606 1HE2 GLN 108 1HE2 GLN 108 12.021 -13.124 -0.196 607 2HE2 GLN 108 2HE2 GLN 108 12.670 -14.666 0.244 608 H GLN 109 H GLN 109 6.178 -13.616 2.815 609 HA GLN 109 HA GLN 109 4.701 -12.325 3.831 610 1HB GLN 109 1HB GLN 109 6.664 -12.462 6.148 611 2HB GLN 109 2HB GLN 109 4.967 -11.909 6.246 612 1HG GLN 109 1HG GLN 109 4.325 -14.141 5.206 613 2HG GLN 109 2HG GLN 109 5.976 -14.680 5.528 614 1HE2 GLN 109 1HE2 GLN 109 3.317 -12.913 7.364 615 2HE2 GLN 109 2HE2 GLN 109 3.372 -14.035 8.709 616 H ARG 110 H ARG 110 5.940 -10.957 2.035 617 HA ARG 110 HA ARG 110 6.429 -8.259 3.211 618 1HB ARG 110 1HB ARG 110 8.469 -8.916 2.262 619 2HB ARG 110 2HB ARG 110 7.699 -9.571 0.818 620 1HG ARG 110 1HG ARG 110 7.013 -7.272 0.167 621 2HG ARG 110 2HG ARG 110 7.812 -6.640 1.622 622 1HD ARG 110 1HD ARG 110 9.187 -6.376 -0.426 623 2HD ARG 110 2HD ARG 110 9.954 -7.365 0.816 624 HE ARG 110 HE ARG 110 8.587 -8.422 -1.606 625 1HH1 ARG 110 2HH2 ARG 110 11.323 -8.663 0.689 626 2HH1 ARG 110 1HH2 ARG 110 12.339 -9.469 -0.476 627 1HH2 ARG 110 2HH1 ARG 110 9.538 -10.466 -2.352 628 2HH2 ARG 110 1HH1 ARG 110 11.199 -10.679 -2.183 629 H LEU 111 H LEU 111 5.405 -6.545 2.168 630 HA LEU 111 HA LEU 111 3.504 -7.254 0.026 631 1HB LEU 111 1HB LEU 111 2.227 -6.567 1.951 632 2HB LEU 111 2HB LEU 111 3.227 -5.126 2.160 633 HG LEU 111 HG LEU 111 2.403 -4.327 -0.085 634 1HD1 LEU 111 1HD1 LEU 111 0.427 -5.363 -1.081 635 2HD1 LEU 111 2HD1 LEU 111 1.734 -6.517 -1.014 636 3HD1 LEU 111 3HD1 LEU 111 0.422 -6.638 0.172 637 1HD2 LEU 111 1HD2 LEU 111 0.305 -4.934 2.060 638 2HD2 LEU 111 2HD2 LEU 111 1.420 -3.551 2.042 639 3HD2 LEU 111 3HD2 LEU 111 0.176 -3.662 0.812 640 H ASN 112 H ASN 112 4.679 -6.789 -1.728 641 HA ASN 112 HA ASN 112 6.881 -4.875 -1.879 642 1HB ASN 112 1HB ASN 112 5.415 -6.617 -3.883 643 2HB ASN 112 2HB ASN 112 6.637 -5.408 -4.366 644 1HD2 ASN 112 1HD2 ASN 112 6.114 -8.571 -3.049 645 2HD2 ASN 112 2HD2 ASN 112 7.744 -9.050 -3.362 646 H LEU 113 H LEU 113 5.994 -2.904 -1.338 647 HA LEU 113 HA LEU 113 3.729 -1.823 -2.869 648 1HB LEU 113 1HB LEU 113 4.438 -1.820 -0.170 649 2HB LEU 113 2HB LEU 113 5.014 -0.236 -0.698 650 HG LEU 113 HG LEU 113 2.796 -0.099 0.264 651 1HD1 LEU 113 1HD1 LEU 113 1.681 1.098 -1.567 652 2HD1 LEU 113 2HD1 LEU 113 3.396 1.478 -1.440 653 3HD1 LEU 113 3HD1 LEU 113 2.849 0.388 -2.712 654 1HD2 LEU 113 1HD2 LEU 113 1.988 -2.207 -1.797 655 2HD2 LEU 113 2HD2 LEU 113 1.875 -2.226 -0.046 656 3HD2 LEU 113 3HD2 LEU 113 0.833 -1.148 -0.960 657 H THR 114 H THR 114 4.179 -0.362 -4.567 658 HA THR 114 HA THR 114 6.768 1.026 -4.401 659 HB THR 114 HB THR 114 5.524 -0.241 -6.879 660 HG1 THR 114 1HG THR 114 7.453 -1.533 -6.809 661 1HG2 THR 114 1HG2 THR 114 7.635 0.420 -8.011 662 2HG2 THR 114 2HG2 THR 114 6.719 1.819 -7.465 663 3HG2 THR 114 3HG2 THR 114 8.146 1.276 -6.533 664 H ILE 115 H ILE 115 6.632 3.113 -5.185 665 HA ILE 115 HA ILE 115 4.231 4.413 -6.296 666 HB ILE 115 HB ILE 115 5.699 4.997 -3.679 667 1HG1 ILE 115 1HG1 ILE 115 2.828 4.389 -4.398 668 2HG1 ILE 115 2HG1 ILE 115 3.958 3.477 -3.356 669 1HG2 ILE 115 1HG2 ILE 115 5.525 7.118 -4.798 670 2HG2 ILE 115 2HG2 ILE 115 3.769 6.890 -5.033 671 3HG2 ILE 115 3HG2 ILE 115 4.475 7.096 -3.421 672 1HD1 ILE 115 1HD1 ILE 115 2.385 4.493 -1.921 673 2HD1 ILE 115 2HD1 ILE 115 3.893 5.418 -1.754 674 3HD1 ILE 115 3HD1 ILE 115 2.553 6.079 -2.720 675 HA PRO 116 HA PRO 116 7.603 6.403 -8.534 676 1HB PRO 116 1HB PRO 116 6.248 8.539 -9.534 677 2HB PRO 116 2HB PRO 116 6.036 6.899 -10.181 678 1HG PRO 116 1HG PRO 116 4.298 8.356 -8.217 679 2HG PRO 116 2HG PRO 116 3.791 7.408 -9.645 680 1HD PRO 116 1HD PRO 116 3.808 6.417 -7.087 681 2HD PRO 116 2HD PRO 116 4.157 5.375 -8.478 682 H GLN 117 H GLN 117 8.997 8.204 -8.135 683 HA GLN 117 HA GLN 117 9.005 9.339 -5.518 684 1HB GLN 117 1HB GLN 117 10.425 10.229 -8.042 685 2HB GLN 117 2HB GLN 117 10.730 10.947 -6.448 686 1HG GLN 117 1HG GLN 117 11.183 8.035 -7.146 687 2HG GLN 117 2HG GLN 117 12.423 9.318 -7.163 688 1HE2 GLN 117 1HE2 GLN 117 10.814 6.959 -5.242 689 2HE2 GLN 117 2HE2 GLN 117 11.577 7.392 -3.715 690 H ALA 118 H ALA 118 7.369 10.428 -8.411 691 HA ALA 118 HA ALA 118 6.961 13.157 -7.773 692 1HB ALA 118 1HB ALA 118 6.479 12.264 -9.982 693 2HB ALA 118 2HB ALA 118 5.271 11.156 -9.340 694 3HB ALA 118 3HB ALA 118 4.981 12.907 -9.292 695 H PHE 119 H PHE 119 5.614 10.281 -6.111 696 HA PHE 119 HA PHE 119 3.599 12.066 -4.807 697 1HB PHE 119 1HB PHE 119 3.679 9.127 -5.539 698 2HB PHE 119 2HB PHE 119 2.490 9.813 -4.425 699 HD1 PHE 119 1HD PHE 119 3.724 10.568 -7.954 700 HD2 PHE 119 2HD PHE 119 0.428 9.975 -5.301 701 HE1 PHE 119 1HE PHE 119 2.205 10.924 -9.812 702 HE2 PHE 119 2HE PHE 119 -1.153 10.307 -7.213 703 HZ PHE 119 HZ PHE 119 -0.256 10.731 -9.485 704 H MET 120 H MET 120 6.432 11.926 -4.060 705 HA MET 120 HA MET 120 6.219 10.583 -1.391 706 1HB MET 120 1HB MET 120 8.590 10.799 -3.278 707 2HB MET 120 2HB MET 120 8.693 10.258 -1.588 708 1HG MET 120 1HG MET 120 7.125 8.944 -3.830 709 2HG MET 120 2HG MET 120 8.634 8.358 -3.110 710 1HE MET 120 1HE MET 120 7.479 7.280 0.501 711 2HE MET 120 2HE MET 120 8.857 7.475 -0.601 712 3HE MET 120 3HE MET 120 8.021 8.903 0.065 713 H SER 121 H SER 121 6.095 12.081 0.103 714 HA SER 121 HA SER 121 6.170 14.799 -0.479 715 1HB SER 121 1HB SER 121 5.013 13.492 1.373 716 2HB SER 121 2HB SER 121 6.518 13.600 2.280 717 HG SER 121 HG SER 121 4.581 15.356 2.136 718 H ASN 122 H ASN 122 8.641 12.948 1.367 719 HA ASN 122 HA ASN 122 10.670 13.257 -0.215 720 1HB ASN 122 1HB ASN 122 12.300 14.784 0.805 721 2HB ASN 122 2HB ASN 122 11.017 15.608 -0.045 722 1HD2 ASN 122 1HD2 ASN 122 10.173 14.425 3.236 723 2HD2 ASN 122 2HD2 ASN 122 10.267 16.014 3.951 724 H ARG 123 H ARG 123 12.752 12.670 0.818 725 HA ARG 123 HA ARG 123 13.954 11.285 1.917 726 1HB ARG 123 1HB ARG 123 12.232 11.840 4.375 727 2HB ARG 123 2HB ARG 123 13.728 10.867 4.383 728 1HG ARG 123 1HG ARG 123 13.617 13.779 3.567 729 2HG ARG 123 2HG ARG 123 14.007 13.214 5.211 730 1HD ARG 123 1HD ARG 123 16.029 12.222 4.530 731 2HD ARG 123 2HD ARG 123 15.496 12.094 2.838 732 HE ARG 123 HE ARG 123 15.757 14.790 4.061 733 1HH1 ARG 123 2HH2 ARG 123 17.743 12.518 2.264 734 2HH1 ARG 123 1HH2 ARG 123 18.228 13.635 1.044 735 1HH2 ARG 123 2HH1 ARG 123 16.256 16.312 2.436 736 2HH2 ARG 123 1HH1 ARG 123 17.458 15.915 1.249 737 H ALA 124 H ALA 124 10.670 10.641 3.136 738 HA ALA 124 HA ALA 124 9.358 8.796 3.082 739 1HB ALA 124 1HB ALA 124 10.470 8.346 0.826 740 2HB ALA 124 2HB ALA 124 11.538 7.235 1.688 741 3HB ALA 124 3HB ALA 124 9.789 6.925 1.698 742 H ARG 125 H ARG 125 11.957 9.353 4.976 743 HA ARG 125 HA ARG 125 11.868 7.424 6.902 744 1HB ARG 125 1HB ARG 125 14.061 6.231 6.264 745 2HB ARG 125 2HB ARG 125 12.535 5.661 5.537 746 1HG ARG 125 1HG ARG 125 14.212 5.544 3.885 747 2HG ARG 125 2HG ARG 125 13.139 6.854 3.425 748 1HD ARG 125 1HD ARG 125 15.485 7.408 3.024 749 2HD ARG 125 2HD ARG 125 14.750 8.496 4.216 750 HE ARG 125 HE ARG 125 16.008 6.144 5.361 751 1HH1 ARG 125 2HH2 ARG 125 16.629 9.418 4.241 752 2HH1 ARG 125 1HH2 ARG 125 17.727 9.834 5.540 753 1HH2 ARG 125 2HH1 ARG 125 17.586 6.603 6.986 754 2HH2 ARG 125 1HH1 ARG 125 18.289 8.173 7.121 Start of MODEL 15 1 1H GLY 25 H GLY 25 -5.190 -12.195 -12.875 2 1HA GLY 25 1HA GLY 25 -7.798 -13.516 -13.391 3 2HA GLY 25 2HA GLY 25 -6.241 -14.379 -13.368 4 H GLN 26 H GLN 26 -8.876 -13.933 -11.520 5 HA GLN 26 HA GLN 26 -7.732 -13.036 -9.018 6 1HB GLN 26 1HB GLN 26 -10.327 -13.592 -10.136 7 2HB GLN 26 2HB GLN 26 -10.163 -14.533 -8.635 8 1HG GLN 26 1HG GLN 26 -9.465 -11.624 -8.580 9 2HG GLN 26 2HG GLN 26 -11.176 -12.154 -8.549 10 1HE2 GLN 26 1HE2 GLN 26 -7.970 -12.811 -6.772 11 2HE2 GLN 26 2HE2 GLN 26 -8.801 -13.200 -5.310 12 H GLU 27 H GLU 27 -6.462 -14.293 -7.676 13 HA GLU 27 HA GLU 27 -7.136 -17.119 -7.484 14 1HB GLU 27 1HB GLU 27 -4.726 -17.734 -7.850 15 2HB GLU 27 2HB GLU 27 -5.651 -17.184 -9.275 16 1HG GLU 27 1HG GLU 27 -4.556 -14.966 -9.105 17 2HG GLU 27 2HG GLU 27 -3.633 -15.528 -7.710 18 HE2 GLU 27 HE GLU 27 -1.403 -17.234 -9.882 19 H LEU 28 H LEU 28 -7.151 -14.709 -5.709 20 HA LEU 28 HA LEU 28 -6.656 -16.375 -3.377 21 1HB LEU 28 1HB LEU 28 -5.342 -13.676 -3.720 22 2HB LEU 28 2HB LEU 28 -5.872 -14.233 -2.106 23 HG LEU 28 HG LEU 28 -3.784 -15.587 -3.855 24 1HD1 LEU 28 1HD1 LEU 28 -3.602 -14.018 -1.243 25 2HD1 LEU 28 2HD1 LEU 28 -2.249 -14.868 -2.037 26 3HD1 LEU 28 3HD1 LEU 28 -3.012 -13.482 -2.828 27 1HD2 LEU 28 1HD2 LEU 28 -4.872 -16.235 -1.076 28 2HD2 LEU 28 2HD2 LEU 28 -4.910 -17.284 -2.522 29 3HD2 LEU 28 3HD2 LEU 28 -3.375 -16.911 -1.751 30 HA PRO 29 HA PRO 29 -10.668 -14.250 -2.906 31 1HB PRO 29 1HB PRO 29 -11.641 -15.654 -0.782 32 2HB PRO 29 2HB PRO 29 -11.569 -16.342 -2.431 33 1HG PRO 29 1HG PRO 29 -9.665 -16.781 -0.127 34 2HG PRO 29 2HG PRO 29 -10.316 -17.999 -1.280 35 1HD PRO 29 1HD PRO 29 -7.819 -16.761 -1.481 36 2HD PRO 29 2HD PRO 29 -8.702 -17.432 -2.868 37 HA PRO 30 HA PRO 30 -9.285 -11.274 -0.115 38 1HB PRO 30 1HB PRO 30 -11.471 -10.026 0.901 39 2HB PRO 30 2HB PRO 30 -10.971 -9.985 -0.822 40 1HG PRO 30 1HG PRO 30 -13.098 -11.681 0.461 41 2HG PRO 30 2HG PRO 30 -13.140 -10.820 -1.121 42 1HD PRO 30 1HD PRO 30 -12.551 -13.526 -0.775 43 2HD PRO 30 2HD PRO 30 -12.028 -12.563 -2.162 44 H GLY 31 H GLY 31 -9.306 -10.322 2.345 45 1HA GLY 31 1HA GLY 31 -10.005 -11.945 4.523 46 2HA GLY 31 2HA GLY 31 -8.546 -12.649 3.815 47 H THR 32 H THR 32 -7.077 -12.136 5.455 48 HA THR 32 HA THR 32 -6.020 -9.489 5.274 49 HB THR 32 HB THR 32 -7.554 -9.135 7.170 50 HG1 THR 32 1HG THR 32 -6.002 -8.330 8.545 51 1HG2 THR 32 1HG2 THR 32 -7.293 -10.269 9.285 52 2HG2 THR 32 2HG2 THR 32 -7.551 -11.513 8.070 53 3HG2 THR 32 3HG2 THR 32 -5.910 -11.193 8.702 54 H TYR 33 H TYR 33 -3.711 -9.556 5.604 55 HA TYR 33 HA TYR 33 -2.638 -12.253 6.226 56 1HB TYR 33 1HB TYR 33 -0.950 -11.766 4.340 57 2HB TYR 33 2HB TYR 33 -2.526 -12.510 4.020 58 HD1 TYR 33 1HD TYR 33 -1.083 -8.969 4.081 59 HD2 TYR 33 2HD TYR 33 -3.394 -11.906 1.966 60 HE1 TYR 33 1HE TYR 33 -1.513 -7.385 2.273 61 HE2 TYR 33 2HE TYR 33 -3.883 -10.238 0.223 62 HH TYR 33 HH TYR 33 -3.498 -7.994 -0.541 63 H ARG 34 H ARG 34 -0.920 -12.189 7.607 64 HA ARG 34 HA ARG 34 0.123 -9.621 8.552 65 1HB ARG 34 1HB ARG 34 -0.260 -11.299 10.193 66 2HB ARG 34 2HB ARG 34 0.596 -12.537 9.243 67 1HG ARG 34 1HG ARG 34 1.868 -11.774 11.200 68 2HG ARG 34 2HG ARG 34 2.721 -11.504 9.669 69 1HD ARG 34 1HD ARG 34 1.933 -9.088 9.794 70 2HD ARG 34 2HD ARG 34 1.350 -9.427 11.427 71 HE ARG 34 HE ARG 34 4.107 -9.139 10.511 72 1HH1 ARG 34 2HH2 ARG 34 2.074 -10.420 13.178 73 2HH1 ARG 34 1HH2 ARG 34 3.452 -10.767 14.170 74 1HH2 ARG 34 2HH1 ARG 34 5.856 -9.576 11.843 75 2HH2 ARG 34 1HH1 ARG 34 5.660 -10.155 13.446 76 H VAL 35 H VAL 35 1.657 -8.548 7.316 77 HA VAL 35 HA VAL 35 4.040 -9.996 6.400 78 HB VAL 35 HB VAL 35 3.738 -9.037 4.080 79 1HG1 VAL 35 1HG1 VAL 35 3.086 -11.457 4.767 80 2HG1 VAL 35 2HG1 VAL 35 1.430 -10.918 4.471 81 3HG1 VAL 35 3HG1 VAL 35 2.667 -10.821 3.185 82 1HG2 VAL 35 1HG2 VAL 35 1.391 -8.547 3.335 83 2HG2 VAL 35 2HG2 VAL 35 0.876 -8.537 5.009 84 3HG2 VAL 35 3HG2 VAL 35 2.043 -7.329 4.472 85 H ASP 36 H ASP 36 5.506 -8.366 5.216 86 HA ASP 36 HA ASP 36 5.582 -5.895 6.868 87 1HB ASP 36 1HB ASP 36 7.974 -6.649 5.306 88 2HB ASP 36 2HB ASP 36 7.794 -5.903 6.913 89 HD2 ASP 36 HD ASP 36 8.542 -9.718 6.708 90 H ILE 37 H ILE 37 5.272 -4.046 5.841 91 HA ILE 37 HA ILE 37 4.515 -3.968 3.018 92 HB ILE 37 HB ILE 37 4.351 -1.937 5.283 93 1HG1 ILE 37 1HG1 ILE 37 1.792 -2.439 4.739 94 2HG1 ILE 37 2HG1 ILE 37 2.436 -4.011 4.239 95 1HG2 ILE 37 1HG2 ILE 37 4.399 -0.588 3.434 96 2HG2 ILE 37 2HG2 ILE 37 3.493 -1.695 2.371 97 3HG2 ILE 37 3HG2 ILE 37 2.685 -0.784 3.661 98 1HD1 ILE 37 1HD1 ILE 37 3.277 -4.460 6.465 99 2HD1 ILE 37 2HD1 ILE 37 2.874 -2.808 6.993 100 3HD1 ILE 37 3HD1 ILE 37 1.598 -3.955 6.581 101 H TYR 38 H TYR 38 5.986 -3.408 1.480 102 HA TYR 38 HA TYR 38 8.589 -2.219 2.357 103 1HB TYR 38 1HB TYR 38 7.958 -4.729 0.977 104 2HB TYR 38 2HB TYR 38 9.065 -3.709 0.037 105 HD1 TYR 38 1HD TYR 38 11.316 -3.484 0.584 106 HD2 TYR 38 2HD TYR 38 8.626 -5.391 3.354 107 HE1 TYR 38 1HE TYR 38 13.223 -4.003 2.035 108 HE2 TYR 38 2HE TYR 38 10.548 -5.950 4.835 109 HH TYR 38 HH TYR 38 13.901 -4.897 4.017 110 H LEU 39 H LEU 39 8.770 -0.217 1.467 111 HA LEU 39 HA LEU 39 7.288 0.408 -1.049 112 1HB LEU 39 1HB LEU 39 6.733 1.704 1.089 113 2HB LEU 39 2HB LEU 39 8.402 2.284 1.067 114 HG LEU 39 HG LEU 39 7.804 3.059 -1.417 115 1HD1 LEU 39 1HD1 LEU 39 5.688 1.876 -1.667 116 2HD1 LEU 39 2HD1 LEU 39 5.074 2.573 -0.152 117 3HD1 LEU 39 3HD1 LEU 39 5.340 3.605 -1.560 118 1HD2 LEU 39 1HD2 LEU 39 8.237 4.568 0.453 119 2HD2 LEU 39 2HD2 LEU 39 6.932 5.161 -0.591 120 3HD2 LEU 39 3HD2 LEU 39 6.536 4.416 0.969 121 H ASN 40 H ASN 40 8.554 0.741 -2.800 122 HA ASN 40 HA ASN 40 10.380 1.058 -4.126 123 1HB ASN 40 1HB ASN 40 10.900 3.317 -2.166 124 2HB ASN 40 2HB ASN 40 11.525 3.197 -3.827 125 1HD2 ASN 40 1HD2 ASN 40 10.112 5.501 -3.013 126 2HD2 ASN 40 2HD2 ASN 40 8.580 5.501 -3.848 127 H ASN 41 H ASN 41 10.720 -0.968 -2.436 128 HA ASN 41 HA ASN 41 12.269 -2.502 -1.936 129 1HB ASN 41 1HB ASN 41 14.370 -0.553 -2.889 130 2HB ASN 41 2HB ASN 41 14.568 -2.290 -2.585 131 1HD2 ASN 41 1HD2 ASN 41 11.578 -1.769 -4.306 132 2HD2 ASN 41 2HD2 ASN 41 12.230 -1.954 -5.886 133 H GLY 42 H GLY 42 11.196 -0.832 0.185 134 1HA GLY 42 1HA GLY 42 13.322 -1.347 2.139 135 2HA GLY 42 2HA GLY 42 12.810 0.342 1.935 136 H TYR 43 H TYR 43 12.409 -1.906 4.093 137 HA TYR 43 HA TYR 43 9.628 -2.351 4.523 138 1HB TYR 43 1HB TYR 43 11.069 -3.537 5.906 139 2HB TYR 43 2HB TYR 43 12.147 -2.154 6.177 140 HD1 TYR 43 1HD TYR 43 11.641 -0.420 7.833 141 HD2 TYR 43 2HD TYR 43 9.039 -3.842 7.297 142 HE1 TYR 43 1HE TYR 43 10.533 0.068 9.995 143 HE2 TYR 43 2HE TYR 43 8.010 -3.377 9.486 144 HH TYR 43 HH TYR 43 7.804 -1.706 11.252 145 H MET 44 H MET 44 8.074 -1.109 5.478 146 HA MET 44 HA MET 44 8.751 1.568 6.632 147 1HB MET 44 1HB MET 44 6.379 0.782 4.884 148 2HB MET 44 2HB MET 44 6.512 2.345 5.718 149 1HG MET 44 1HG MET 44 8.510 1.279 3.698 150 2HG MET 44 2HG MET 44 7.243 2.454 3.349 151 1HE MET 44 1HE MET 44 10.219 2.651 2.720 152 2HE MET 44 2HE MET 44 9.215 4.104 2.391 153 3HE MET 44 3HE MET 44 10.766 4.259 3.258 154 H ALA 45 H ALA 45 6.363 -1.128 6.559 155 HA ALA 45 HA ALA 45 5.714 -0.810 9.429 156 1HB ALA 45 1HB ALA 45 3.720 -0.593 7.146 157 2HB ALA 45 2HB ALA 45 3.309 -0.777 8.878 158 3HB ALA 45 3HB ALA 45 4.159 0.679 8.306 159 H THR 46 H THR 46 4.379 -2.673 10.152 160 HA THR 46 HA THR 46 4.344 -5.039 8.420 161 HB THR 46 HB THR 46 5.859 -4.762 11.049 162 HG1 THR 46 1HG THR 46 7.457 -5.772 9.732 163 1HG2 THR 46 1HG2 THR 46 4.350 -6.778 11.183 164 2HG2 THR 46 2HG2 THR 46 5.103 -7.380 9.680 165 3HG2 THR 46 3HG2 THR 46 6.051 -7.140 11.179 166 H ARG 47 H ARG 47 2.392 -6.048 8.758 167 HA ARG 47 HA ARG 47 1.148 -6.333 11.189 168 1HB ARG 47 1HB ARG 47 -0.914 -4.802 10.678 169 2HB ARG 47 2HB ARG 47 0.489 -4.218 11.611 170 1HG ARG 47 1HG ARG 47 0.826 -2.559 10.212 171 2HG ARG 47 2HG ARG 47 0.890 -3.556 8.788 172 1HD ARG 47 1HD ARG 47 -0.950 -1.990 8.553 173 2HD ARG 47 2HD ARG 47 -1.670 -3.581 8.821 174 HE ARG 47 HE ARG 47 -1.116 -2.011 11.221 175 1HH1 ARG 47 2HH2 ARG 47 -3.752 -2.535 8.827 176 2HH1 ARG 47 1HH2 ARG 47 -4.925 -1.893 9.902 177 1HH2 ARG 47 2HH1 ARG 47 -2.747 -1.282 12.576 178 2HH2 ARG 47 1HH1 ARG 47 -4.377 -1.201 11.998 179 H ASP 48 H ASP 48 -1.238 -6.932 10.924 180 HA ASP 48 HA ASP 48 -1.694 -8.692 8.655 181 1HB ASP 48 1HB ASP 48 -3.413 -7.898 11.000 182 2HB ASP 48 2HB ASP 48 -3.940 -8.951 9.652 183 HD2 ASP 48 HD ASP 48 -1.308 -10.500 12.203 184 H VAL 49 H VAL 49 -1.798 -7.590 6.807 185 HA VAL 49 HA VAL 49 -3.280 -5.058 6.604 186 HB VAL 49 HB VAL 49 -1.929 -6.401 4.270 187 1HG1 VAL 49 1HG1 VAL 49 -3.252 -4.309 3.989 188 2HG1 VAL 49 2HG1 VAL 49 -2.191 -3.494 5.159 189 3HG1 VAL 49 3HG1 VAL 49 -1.524 -4.064 3.624 190 1HG2 VAL 49 1HG2 VAL 49 0.173 -5.159 4.840 191 2HG2 VAL 49 2HG2 VAL 49 -0.491 -4.889 6.471 192 3HG2 VAL 49 3HG2 VAL 49 -0.151 -6.534 5.887 193 H THR 50 H THR 50 -5.412 -5.580 6.827 194 HA THR 50 HA THR 50 -6.835 -7.654 5.605 195 HB THR 50 HB THR 50 -7.626 -4.804 6.287 196 HG1 THR 50 1HG THR 50 -8.029 -5.657 8.319 197 1HG2 THR 50 1HG2 THR 50 -9.877 -5.734 6.662 198 2HG2 THR 50 2HG2 THR 50 -9.376 -5.978 4.980 199 3HG2 THR 50 3HG2 THR 50 -9.304 -7.329 6.125 200 H PHE 51 H PHE 51 -6.969 -8.090 3.290 201 HA PHE 51 HA PHE 51 -7.139 -5.813 1.506 202 1HB PHE 51 1HB PHE 51 -6.542 -7.654 -0.095 203 2HB PHE 51 2HB PHE 51 -5.338 -7.383 1.178 204 HD1 PHE 51 1HD PHE 51 -5.244 -9.028 3.161 205 HD2 PHE 51 2HD PHE 51 -7.553 -9.778 -0.381 206 HE1 PHE 51 1HE PHE 51 -5.221 -11.478 3.618 207 HE2 PHE 51 2HE PHE 51 -7.298 -12.197 0.009 208 HZ PHE 51 HZ PHE 51 -6.209 -13.043 2.094 209 H ASN 52 H ASN 52 -8.539 -6.058 -0.336 210 HA ASN 52 HA ASN 52 -11.136 -7.386 0.213 211 1HB ASN 52 1HB ASN 52 -11.304 -5.036 -1.487 212 2HB ASN 52 2HB ASN 52 -12.240 -5.437 -0.051 213 1HD2 ASN 52 1HD2 ASN 52 -10.799 -4.975 2.197 214 2HD2 ASN 52 2HD2 ASN 52 -9.881 -3.502 2.025 215 H THR 53 H THR 53 -12.433 -7.559 -1.917 216 HA THR 53 HA THR 53 -11.067 -8.833 -4.003 217 HB THR 53 HB THR 53 -13.557 -7.404 -4.732 218 HG1 THR 53 1HG THR 53 -14.693 -9.045 -3.289 219 1HG2 THR 53 1HG2 THR 53 -13.188 -10.390 -4.390 220 2HG2 THR 53 2HG2 THR 53 -14.271 -9.515 -5.488 221 3HG2 THR 53 3HG2 THR 53 -12.532 -9.519 -5.807 222 H GLY 54 H GLY 54 -9.972 -7.979 -5.829 223 1HA GLY 54 1HA GLY 54 -10.454 -5.319 -6.773 224 2HA GLY 54 2HA GLY 54 -8.965 -5.374 -5.820 225 H ASP 55 H ASP 55 -7.588 -5.010 -7.375 226 HA ASP 55 HA ASP 55 -7.345 -6.972 -9.591 227 1HB ASP 55 1HB ASP 55 -6.801 -4.039 -9.938 228 2HB ASP 55 2HB ASP 55 -7.207 -5.304 -11.123 229 HD2 ASP 55 HD ASP 55 -10.160 -3.273 -9.510 230 H SER 56 H SER 56 -5.389 -7.823 -9.474 231 HA SER 56 HA SER 56 -3.046 -6.506 -9.595 232 1HB SER 56 1HB SER 56 -3.712 -7.515 -6.792 233 2HB SER 56 2HB SER 56 -2.026 -7.485 -7.341 234 HG SER 56 HG SER 56 -3.805 -5.300 -7.374 235 H GLU 57 H GLU 57 -1.237 -8.541 -9.026 236 HA GLU 57 HA GLU 57 -1.670 -10.686 -10.735 237 1HB GLU 57 1HB GLU 57 -0.161 -10.588 -8.089 238 2HB GLU 57 2HB GLU 57 -0.057 -11.956 -9.207 239 1HG GLU 57 1HG GLU 57 0.748 -9.097 -9.810 240 2HG GLU 57 2HG GLU 57 1.859 -10.425 -9.413 241 HE2 GLU 57 HE GLU 57 0.870 -9.941 -13.102 242 H GLN 58 H GLN 58 -2.345 -10.585 -7.237 243 HA GLN 58 HA GLN 58 -3.429 -13.278 -7.315 244 1HB GLN 58 1HB GLN 58 -3.706 -11.613 -4.884 245 2HB GLN 58 2HB GLN 58 -3.243 -13.316 -5.090 246 1HG GLN 58 1HG GLN 58 -1.283 -12.416 -4.292 247 2HG GLN 58 2HG GLN 58 -0.926 -12.227 -5.989 248 1HE2 GLN 58 1HE2 GLN 58 -2.044 -10.662 -3.080 249 2HE2 GLN 58 2HE2 GLN 58 -1.825 -8.977 -3.575 250 H GLY 59 H GLY 59 -4.868 -10.256 -7.959 251 1HA GLY 59 1HA GLY 59 -7.169 -10.062 -8.597 252 2HA GLY 59 2HA GLY 59 -7.479 -11.491 -7.721 253 H ILE 60 H ILE 60 -5.801 -9.100 -5.818 254 HA ILE 60 HA ILE 60 -8.195 -8.153 -4.397 255 HB ILE 60 HB ILE 60 -6.918 -9.012 -2.226 256 1HG1 ILE 60 1HG1 ILE 60 -6.086 -11.201 -4.190 257 2HG1 ILE 60 2HG1 ILE 60 -4.962 -9.911 -3.717 258 1HG2 ILE 60 1HG2 ILE 60 -8.421 -10.974 -4.015 259 2HG2 ILE 60 2HG2 ILE 60 -8.267 -11.110 -2.260 260 3HG2 ILE 60 3HG2 ILE 60 -9.183 -9.772 -2.946 261 1HD1 ILE 60 1HD1 ILE 60 -4.500 -11.805 -2.348 262 2HD1 ILE 60 2HD1 ILE 60 -5.276 -10.580 -1.345 263 3HD1 ILE 60 3HD1 ILE 60 -6.209 -11.988 -1.910 264 H VAL 61 H VAL 61 -7.555 -6.393 -2.841 265 HA VAL 61 HA VAL 61 -4.727 -5.567 -3.050 266 HB VAL 61 HB VAL 61 -5.342 -3.198 -3.294 267 1HG1 VAL 61 1HG1 VAL 61 -4.639 -4.558 -5.242 268 2HG1 VAL 61 2HG1 VAL 61 -6.343 -4.895 -5.610 269 3HG1 VAL 61 3HG1 VAL 61 -5.731 -3.235 -5.684 270 1HG2 VAL 61 1HG2 VAL 61 -7.667 -3.241 -2.491 271 2HG2 VAL 61 2HG2 VAL 61 -7.538 -2.525 -4.094 272 3HG2 VAL 61 3HG2 VAL 61 -8.160 -4.178 -3.917 273 HA PRO 62 HA PRO 62 -5.197 -4.968 1.391 274 1HB PRO 62 1HB PRO 62 -3.106 -3.330 1.886 275 2HB PRO 62 2HB PRO 62 -2.913 -5.051 1.449 276 1HG PRO 62 1HG PRO 62 -2.686 -2.632 -0.344 277 2HG PRO 62 2HG PRO 62 -1.579 -4.038 -0.235 278 1HD PRO 62 1HD PRO 62 -3.484 -3.836 -2.167 279 2HD PRO 62 2HD PRO 62 -3.054 -5.405 -1.434 280 H CYS 63 H CYS 63 -5.790 -3.597 2.920 281 HA CYS 63 HA CYS 63 -7.097 -1.066 2.271 282 1HB CYS 63 1HB CYS 63 -6.707 -2.759 4.778 283 2HB CYS 63 2HB CYS 63 -7.588 -1.227 4.778 284 HG CYS 63 HG CYS 63 -9.245 -3.182 5.169 285 H LEU 64 H LEU 64 -5.028 -0.267 1.557 286 HA LEU 64 HA LEU 64 -3.268 0.831 3.664 287 1HB LEU 64 1HB LEU 64 -3.229 2.115 1.024 288 2HB LEU 64 2HB LEU 64 -1.904 1.483 2.023 289 HG LEU 64 HG LEU 64 -2.884 -0.866 1.087 290 1HD1 LEU 64 1HD1 LEU 64 -3.492 1.142 -1.137 291 2HD1 LEU 64 2HD1 LEU 64 -3.672 -0.622 -1.233 292 3HD1 LEU 64 3HD1 LEU 64 -4.734 0.345 -0.197 293 1HD2 LEU 64 1HD2 LEU 64 -1.062 0.959 -0.477 294 2HD2 LEU 64 2HD2 LEU 64 -0.613 -0.166 0.831 295 3HD2 LEU 64 3HD2 LEU 64 -1.248 -0.799 -0.697 296 H THR 65 H THR 65 -3.875 2.772 4.720 297 HA THR 65 HA THR 65 -6.157 4.276 3.557 298 HB THR 65 HB THR 65 -6.803 4.746 5.862 299 HG1 THR 65 1HG THR 65 -5.637 4.204 7.472 300 1HG2 THR 65 1HG2 THR 65 -6.250 1.721 5.434 301 2HG2 THR 65 2HG2 THR 65 -7.514 2.353 6.451 302 3HG2 THR 65 3HG2 THR 65 -7.614 2.575 4.694 303 H ARG 66 H ARG 66 -6.170 6.657 4.651 304 HA ARG 66 HA ARG 66 -3.894 7.817 3.541 305 1HB ARG 66 1HB ARG 66 -6.153 8.942 4.182 306 2HB ARG 66 2HB ARG 66 -5.412 9.260 5.760 307 1HG ARG 66 1HG ARG 66 -3.768 10.646 4.891 308 2HG ARG 66 2HG ARG 66 -3.890 9.908 3.256 309 1HD ARG 66 1HD ARG 66 -4.959 11.726 2.690 310 2HD ARG 66 2HD ARG 66 -6.347 10.953 3.443 311 HE ARG 66 HE ARG 66 -4.934 13.339 4.271 312 1HH1 ARG 66 2HH2 ARG 66 -7.205 10.918 5.531 313 2HH1 ARG 66 1HH2 ARG 66 -7.582 11.860 6.912 314 1HH2 ARG 66 2HH1 ARG 66 -5.521 14.554 5.936 315 2HH2 ARG 66 1HH1 ARG 66 -6.413 13.919 7.283 316 H ALA 67 H ALA 67 -4.492 7.049 6.970 317 HA ALA 67 HA ALA 67 -2.087 8.165 7.942 318 1HB ALA 67 1HB ALA 67 -3.670 5.744 8.933 319 2HB ALA 67 2HB ALA 67 -2.263 6.443 9.775 320 3HB ALA 67 3HB ALA 67 -3.728 7.418 9.552 321 H GLN 68 H GLN 68 -2.792 4.793 6.861 322 HA GLN 68 HA GLN 68 -0.290 3.670 7.387 323 1HB GLN 68 1HB GLN 68 -2.181 3.070 5.075 324 2HB GLN 68 2HB GLN 68 -0.947 1.968 5.698 325 1HG GLN 68 1HG GLN 68 -3.151 2.988 7.478 326 2HG GLN 68 2HG GLN 68 -3.433 1.626 6.388 327 1HE2 GLN 68 1HE2 GLN 68 -3.410 -0.233 7.660 328 2HE2 GLN 68 2HE2 GLN 68 -2.161 -0.517 8.866 329 H LEU 69 H LEU 69 -1.348 5.532 4.585 330 HA LEU 69 HA LEU 69 1.106 5.028 3.078 331 1HB LEU 69 1HB LEU 69 -1.199 6.922 2.580 332 2HB LEU 69 2HB LEU 69 0.119 6.534 1.442 333 HG LEU 69 HG LEU 69 -1.757 4.471 2.583 334 1HD1 LEU 69 1HD1 LEU 69 -2.977 6.151 1.249 335 2HD1 LEU 69 2HD1 LEU 69 -1.836 5.943 -0.092 336 3HD1 LEU 69 3HD1 LEU 69 -2.900 4.597 0.386 337 1HD2 LEU 69 1HD2 LEU 69 -0.942 3.107 0.662 338 2HD2 LEU 69 2HD2 LEU 69 0.272 4.360 0.319 339 3HD2 LEU 69 3HD2 LEU 69 0.292 3.451 1.846 340 H ALA 70 H ALA 70 -0.311 7.856 4.787 341 HA ALA 70 HA ALA 70 1.887 9.627 4.257 342 1HB ALA 70 1HB ALA 70 -0.245 10.494 5.030 343 2HB ALA 70 2HB ALA 70 -0.172 9.511 6.502 344 3HB ALA 70 3HB ALA 70 0.976 10.837 6.280 345 H SER 71 H SER 71 1.421 6.937 6.459 346 HA SER 71 HA SER 71 3.525 7.418 8.291 347 1HB SER 71 1HB SER 71 1.674 5.842 8.561 348 2HB SER 71 2HB SER 71 2.360 4.787 7.334 349 HG SER 71 HG SER 71 3.375 5.449 9.893 350 H MET 72 H MET 72 3.570 5.208 5.412 351 HA MET 72 HA MET 72 6.408 4.922 5.122 352 1HB MET 72 1HB MET 72 5.878 3.952 2.977 353 2HB MET 72 2HB MET 72 4.834 3.281 4.227 354 1HG MET 72 1HG MET 72 3.036 4.774 3.554 355 2HG MET 72 2HG MET 72 4.080 5.513 2.342 356 1HE MET 72 1HE MET 72 3.587 1.661 3.175 357 2HE MET 72 2HE MET 72 2.046 2.510 3.478 358 3HE MET 72 3HE MET 72 2.169 1.339 2.151 359 H GLY 73 H GLY 73 4.981 7.901 4.843 360 1HA GLY 73 1HA GLY 73 6.043 9.780 4.077 361 2HA GLY 73 2HA GLY 73 7.206 8.787 3.210 362 H LEU 74 H LEU 74 3.933 8.021 2.425 363 HA LEU 74 HA LEU 74 4.064 9.092 -0.262 364 1HB LEU 74 1HB LEU 74 2.739 7.209 0.014 365 2HB LEU 74 2HB LEU 74 1.934 7.869 1.448 366 HG LEU 74 HG LEU 74 0.521 7.523 -0.552 367 1HD1 LEU 74 1HD1 LEU 74 -0.852 9.398 -0.089 368 2HD1 LEU 74 2HD1 LEU 74 -0.127 8.834 1.412 369 3HD1 LEU 74 3HD1 LEU 74 0.485 10.280 0.629 370 1HD2 LEU 74 1HD2 LEU 74 0.410 8.778 -2.389 371 2HD2 LEU 74 2HD2 LEU 74 1.418 10.083 -1.763 372 3HD2 LEU 74 3HD2 LEU 74 2.144 8.532 -2.223 373 H ASN 75 H ASN 75 3.210 10.862 -1.009 374 HA ASN 75 HA ASN 75 2.702 13.172 0.752 375 1HB ASN 75 1HB ASN 75 4.259 13.065 -1.279 376 2HB ASN 75 2HB ASN 75 2.833 13.085 -2.296 377 1HD2 ASN 75 1HD2 ASN 75 5.026 15.056 -1.960 378 2HD2 ASN 75 2HD2 ASN 75 4.272 16.532 -1.380 379 H THR 76 H THR 76 0.457 12.684 1.537 380 HA THR 76 HA THR 76 -1.682 12.069 -0.156 381 HB THR 76 HB THR 76 -3.040 12.887 1.658 382 HG1 THR 76 1HG THR 76 -0.867 13.340 3.360 383 1HG2 THR 76 1HG2 THR 76 -0.613 11.234 2.533 384 2HG2 THR 76 2HG2 THR 76 -2.111 11.389 3.437 385 3HG2 THR 76 3HG2 THR 76 -2.129 10.639 1.815 386 H ALA 77 H ALA 77 -0.011 15.139 0.378 387 HA ALA 77 HA ALA 77 -2.148 16.799 -0.638 388 1HB ALA 77 1HB ALA 77 -0.281 17.452 1.019 389 2HB ALA 77 2HB ALA 77 0.789 17.519 -0.411 390 3HB ALA 77 3HB ALA 77 -0.635 18.569 -0.310 391 H SER 78 H SER 78 0.396 14.867 -2.177 392 HA SER 78 HA SER 78 0.479 16.449 -4.601 393 1HB SER 78 1HB SER 78 1.174 13.551 -4.016 394 2HB SER 78 2HB SER 78 1.382 14.331 -5.609 395 HG SER 78 HG SER 78 3.270 14.619 -4.793 396 H VAL 79 H VAL 79 -2.106 14.335 -3.292 397 HA VAL 79 HA VAL 79 -3.082 13.955 -6.051 398 HB VAL 79 HB VAL 79 -3.441 12.207 -3.600 399 1HG1 VAL 79 1HG1 VAL 79 -5.137 11.840 -5.381 400 2HG1 VAL 79 2HG1 VAL 79 -3.833 11.638 -6.583 401 3HG1 VAL 79 3HG1 VAL 79 -4.011 10.473 -5.272 402 1HG2 VAL 79 1HG2 VAL 79 -1.770 10.713 -4.680 403 2HG2 VAL 79 2HG2 VAL 79 -1.418 12.027 -5.846 404 3HG2 VAL 79 3HG2 VAL 79 -1.047 12.229 -4.130 405 H ALA 80 H ALA 80 -4.522 15.536 -6.353 406 HA ALA 80 HA ALA 80 -6.736 16.256 -4.698 407 1HB ALA 80 1HB ALA 80 -6.573 15.806 -7.715 408 2HB ALA 80 2HB ALA 80 -7.910 16.583 -6.847 409 3HB ALA 80 3HB ALA 80 -6.317 17.348 -6.861 410 H GLY 81 H GLY 81 -8.123 14.877 -3.816 411 1HA GLY 81 1HA GLY 81 -9.681 13.140 -3.969 412 2HA GLY 81 2HA GLY 81 -8.655 12.224 -5.010 413 H MET 82 H MET 82 -6.318 13.073 -2.874 414 HA MET 82 HA MET 82 -7.019 10.775 -1.094 415 1HB MET 82 1HB MET 82 -4.804 10.787 -2.404 416 2HB MET 82 2HB MET 82 -4.246 11.982 -1.225 417 1HG MET 82 1HG MET 82 -4.546 10.516 0.590 418 2HG MET 82 2HG MET 82 -5.639 9.452 -0.308 419 1HE MET 82 1HE MET 82 -2.978 7.672 -2.726 420 2HE MET 82 2HE MET 82 -4.647 8.298 -2.643 421 3HE MET 82 3HE MET 82 -3.304 9.387 -3.032 422 H ASN 83 H ASN 83 -6.056 14.184 -0.977 423 HA ASN 83 HA ASN 83 -5.708 14.059 1.871 424 1HB ASN 83 1HB ASN 83 -5.271 16.431 1.728 425 2HB ASN 83 2HB ASN 83 -4.378 15.500 0.522 426 1HD2 ASN 83 1HD2 ASN 83 -5.166 15.673 -1.861 427 2HD2 ASN 83 2HD2 ASN 83 -6.047 17.109 -2.247 428 H LEU 84 H LEU 84 -8.450 13.595 0.527 429 HA LEU 84 HA LEU 84 -10.110 15.132 2.394 430 1HB LEU 84 1HB LEU 84 -11.890 14.987 0.611 431 2HB LEU 84 2HB LEU 84 -10.665 16.255 0.562 432 HG LEU 84 HG LEU 84 -11.259 15.232 -1.630 433 1HD1 LEU 84 1HD1 LEU 84 -9.262 15.889 -2.375 434 2HD1 LEU 84 2HD1 LEU 84 -8.839 16.108 -0.670 435 3HD1 LEU 84 3HD1 LEU 84 -8.396 14.612 -1.498 436 1HD2 LEU 84 1HD2 LEU 84 -10.667 13.007 -2.200 437 2HD2 LEU 84 2HD2 LEU 84 -9.644 12.798 -0.756 438 3HD2 LEU 84 3HD2 LEU 84 -11.425 12.856 -0.647 439 H LEU 85 H LEU 85 -8.940 12.062 1.910 440 HA LEU 85 HA LEU 85 -11.501 10.755 2.653 441 1HB LEU 85 1HB LEU 85 -10.593 8.647 1.974 442 2HB LEU 85 2HB LEU 85 -10.958 9.886 0.751 443 HG LEU 85 HG LEU 85 -8.492 10.399 0.780 444 1HD1 LEU 85 1HD1 LEU 85 -7.004 8.663 1.689 445 2HD1 LEU 85 2HD1 LEU 85 -8.083 9.376 2.900 446 3HD1 LEU 85 3HD1 LEU 85 -8.466 7.782 2.259 447 1HD2 LEU 85 1HD2 LEU 85 -9.414 9.235 -1.094 448 2HD2 LEU 85 2HD2 LEU 85 -7.759 8.724 -0.731 449 3HD2 LEU 85 3HD2 LEU 85 -9.121 7.686 -0.319 450 H ALA 86 H ALA 86 -11.255 8.771 3.975 451 HA ALA 86 HA ALA 86 -10.399 9.987 6.322 452 1HB ALA 86 1HB ALA 86 -11.349 8.097 7.532 453 2HB ALA 86 2HB ALA 86 -12.402 8.477 6.156 454 3HB ALA 86 3HB ALA 86 -11.283 7.085 6.111 455 H ASP 87 H ASP 87 -8.977 9.083 7.988 456 HA ASP 87 HA ASP 87 -6.487 7.964 6.939 457 1HB ASP 87 1HB ASP 87 -5.563 8.741 8.853 458 2HB ASP 87 2HB ASP 87 -7.077 9.618 9.077 459 HD2 ASP 87 HD ASP 87 -8.103 7.045 11.432 460 H ASP 88 H ASP 88 -9.356 6.494 7.805 461 HA ASP 88 HA ASP 88 -7.887 3.957 7.612 462 1HB ASP 88 1HB ASP 88 -9.655 4.781 9.792 463 2HB ASP 88 2HB ASP 88 -9.986 3.163 9.154 464 HD2 ASP 88 HD ASP 88 -7.256 3.228 11.695 465 H ALA 89 H ALA 89 -9.012 5.585 5.502 466 HA ALA 89 HA ALA 89 -11.162 3.734 4.584 467 1HB ALA 89 1HB ALA 89 -12.021 5.984 4.450 468 2HB ALA 89 2HB ALA 89 -10.544 6.555 3.602 469 3HB ALA 89 3HB ALA 89 -11.666 5.413 2.840 470 H CYS 90 H CYS 90 -10.701 2.374 3.093 471 HA CYS 90 HA CYS 90 -8.136 1.754 2.187 472 1HB CYS 90 1HB CYS 90 -10.761 1.172 0.774 473 2HB CYS 90 2HB CYS 90 -9.255 0.236 0.660 474 HG CYS 90 HG CYS 90 -11.071 -1.127 1.989 475 H VAL 91 H VAL 91 -6.885 3.131 1.060 476 HA VAL 91 HA VAL 91 -7.935 5.054 -0.852 477 HB VAL 91 HB VAL 91 -5.127 4.248 0.008 478 1HG1 VAL 91 1HG1 VAL 91 -4.302 6.239 -1.098 479 2HG1 VAL 91 2HG1 VAL 91 -5.058 5.207 -2.303 480 3HG1 VAL 91 3HG1 VAL 91 -5.936 6.639 -1.705 481 1HG2 VAL 91 1HG2 VAL 91 -5.198 6.530 1.110 482 2HG2 VAL 91 2HG2 VAL 91 -6.906 6.650 0.612 483 3HG2 VAL 91 3HG2 VAL 91 -6.398 5.402 1.765 484 HA PRO 92 HA PRO 92 -7.239 2.169 -4.341 485 1HB PRO 92 1HB PRO 92 -7.932 3.765 -6.390 486 2HB PRO 92 2HB PRO 92 -9.157 3.214 -5.211 487 1HG PRO 92 1HG PRO 92 -7.634 5.839 -5.207 488 2HG PRO 92 2HG PRO 92 -9.403 5.610 -5.122 489 1HD PRO 92 1HD PRO 92 -7.785 5.946 -2.905 490 2HD PRO 92 2HD PRO 92 -9.249 4.949 -2.816 491 H LEU 93 H LEU 93 -5.026 2.534 -3.322 492 HA LEU 93 HA LEU 93 -3.292 4.651 -4.125 493 1HB LEU 93 1HB LEU 93 -3.260 3.254 -2.044 494 2HB LEU 93 2HB LEU 93 -2.593 1.923 -2.986 495 HG LEU 93 HG LEU 93 -1.163 3.453 -1.462 496 1HD1 LEU 93 1HD1 LEU 93 -0.072 2.557 -4.118 497 2HD1 LEU 93 2HD1 LEU 93 0.879 2.972 -2.690 498 3HD1 LEU 93 3HD1 LEU 93 -0.223 1.591 -2.655 499 1HD2 LEU 93 1HD2 LEU 93 -1.796 5.595 -2.545 500 2HD2 LEU 93 2HD2 LEU 93 -0.059 5.328 -2.375 501 3HD2 LEU 93 3HD2 LEU 93 -0.818 5.107 -3.947 502 H THR 94 H THR 94 -4.231 1.864 -5.919 503 HA THR 94 HA THR 94 -1.842 2.203 -7.679 504 HB THR 94 HB THR 94 -2.429 -0.028 -8.532 505 HG1 THR 94 1HG THR 94 -4.263 -0.104 -6.338 506 1HG2 THR 94 1HG2 THR 94 -0.824 0.307 -6.628 507 2HG2 THR 94 2HG2 THR 94 -2.141 -0.031 -5.493 508 3HG2 THR 94 3HG2 THR 94 -1.618 -1.282 -6.640 509 H THR 95 H THR 95 -4.721 3.684 -7.457 510 HA THR 95 HA THR 95 -5.010 3.862 -10.418 511 HB THR 95 HB THR 95 -7.082 3.325 -8.286 512 HG1 THR 95 1HG THR 95 -7.001 1.482 -9.239 513 1HG2 THR 95 1HG2 THR 95 -8.825 3.605 -10.066 514 2HG2 THR 95 2HG2 THR 95 -8.109 5.134 -9.537 515 3HG2 THR 95 3HG2 THR 95 -7.595 4.408 -11.075 516 H MET 96 H MET 96 -5.586 5.566 -7.250 517 HA MET 96 HA MET 96 -5.668 8.166 -8.680 518 1HB MET 96 1HB MET 96 -5.676 7.325 -5.769 519 2HB MET 96 2HB MET 96 -5.381 9.019 -6.276 520 1HG MET 96 1HG MET 96 -7.536 8.874 -7.570 521 2HG MET 96 2HG MET 96 -7.896 7.417 -6.661 522 1HE MET 96 1HE MET 96 -5.942 9.699 -4.071 523 2HE MET 96 2HE MET 96 -7.298 9.426 -2.971 524 3HE MET 96 3HE MET 96 -6.621 8.054 -3.833 525 H VAL 97 H VAL 97 -3.255 5.923 -7.908 526 HA VAL 97 HA VAL 97 -1.203 7.958 -8.284 527 HB VAL 97 HB VAL 97 -0.973 5.752 -6.207 528 1HG1 VAL 97 1HG1 VAL 97 1.133 6.143 -7.276 529 2HG1 VAL 97 2HG1 VAL 97 0.974 7.881 -7.119 530 3HG1 VAL 97 3HG1 VAL 97 1.194 6.868 -5.663 531 1HG2 VAL 97 1HG2 VAL 97 -1.455 8.703 -5.843 532 2HG2 VAL 97 2HG2 VAL 97 -2.385 7.351 -5.199 533 3HG2 VAL 97 3HG2 VAL 97 -0.764 7.673 -4.562 534 H GLN 98 H GLN 98 -1.147 7.371 -10.353 535 HA GLN 98 HA GLN 98 -0.928 4.748 -11.435 536 1HB GLN 98 1HB GLN 98 -1.032 7.129 -12.556 537 2HB GLN 98 2HB GLN 98 0.736 7.109 -12.401 538 1HG GLN 98 1HG GLN 98 0.342 6.345 -14.576 539 2HG GLN 98 2HG GLN 98 0.625 4.849 -13.708 540 1HE2 GLN 98 1HE2 GLN 98 -1.217 3.385 -13.389 541 2HE2 GLN 98 2HE2 GLN 98 -2.722 3.652 -14.225 542 H ASP 99 H ASP 99 1.002 3.517 -11.973 543 HA ASP 99 HA ASP 99 3.150 2.820 -12.020 544 1HB ASP 99 1HB ASP 99 3.595 5.495 -11.739 545 2HB ASP 99 2HB ASP 99 4.328 4.905 -10.237 546 HD2 ASP 99 HD ASP 99 6.866 3.233 -12.026 547 H ALA 100 H ALA 100 1.828 3.957 -8.989 548 HA ALA 100 HA ALA 100 3.426 2.389 -7.219 549 1HB ALA 100 1HB ALA 100 2.074 4.248 -6.393 550 2HB ALA 100 2HB ALA 100 0.589 3.471 -7.002 551 3HB ALA 100 3HB ALA 100 1.491 2.744 -5.659 552 H THR 101 H THR 101 2.742 0.493 -6.073 553 HA THR 101 HA THR 101 0.733 -1.230 -7.299 554 HB THR 101 HB THR 101 2.419 -3.125 -7.501 555 HG1 THR 101 1HG THR 101 4.193 -0.945 -7.707 556 1HG2 THR 101 1HG2 THR 101 2.952 -2.643 -9.804 557 2HG2 THR 101 2HG2 THR 101 1.356 -1.993 -9.466 558 3HG2 THR 101 3HG2 THR 101 2.745 -0.898 -9.569 559 H ALA 102 H ALA 102 0.535 -3.294 -5.928 560 HA ALA 102 HA ALA 102 1.600 -3.159 -3.228 561 1HB ALA 102 1HB ALA 102 -1.405 -2.845 -3.769 562 2HB ALA 102 2HB ALA 102 -0.646 -3.106 -2.188 563 3HB ALA 102 3HB ALA 102 -0.330 -1.606 -3.077 564 H HIS 103 H HIS 103 2.498 -5.124 -3.891 565 HA HIS 103 HA HIS 103 0.715 -7.412 -4.697 566 1HB HIS 103 1HB HIS 103 2.480 -6.986 -6.285 567 2HB HIS 103 2HB HIS 103 3.707 -6.950 -5.018 568 HD1 HIS 103 1HD HIS 103 3.092 -9.121 -7.706 569 HD2 HIS 103 2HD HIS 103 3.408 -9.675 -3.563 570 HE1 HIS 103 1HE HIS 103 3.700 -11.569 -7.263 571 HE2 HIS 103 2HE HIS 103 3.890 -11.913 -4.771 572 H LEU 104 H LEU 104 0.248 -8.834 -3.059 573 HA LEU 104 HA LEU 104 1.868 -8.924 -0.577 574 1HB LEU 104 1HB LEU 104 -0.289 -9.081 0.055 575 2HB LEU 104 2HB LEU 104 -0.834 -9.851 -1.424 576 HG LEU 104 HG LEU 104 0.667 -11.838 -0.325 577 1HD1 LEU 104 1HD1 LEU 104 0.116 -10.131 1.915 578 2HD1 LEU 104 2HD1 LEU 104 -0.006 -11.909 2.092 579 3HD1 LEU 104 3HD1 LEU 104 1.470 -11.147 1.478 580 1HD2 LEU 104 1HD2 LEU 104 -2.171 -11.382 -0.633 581 2HD2 LEU 104 2HD2 LEU 104 -1.125 -12.668 -1.144 582 3HD2 LEU 104 3HD2 LEU 104 -1.679 -12.625 0.538 583 H ASP 105 H ASP 105 3.720 -10.066 -0.702 584 HA ASP 105 HA ASP 105 3.855 -12.597 -2.235 585 1HB ASP 105 1HB ASP 105 5.739 -10.831 -2.202 586 2HB ASP 105 2HB ASP 105 6.023 -11.317 -0.524 587 HD2 ASP 105 HD ASP 105 6.886 -14.633 -1.811 588 H VAL 106 H VAL 106 2.343 -13.885 -0.867 589 HA VAL 106 HA VAL 106 2.489 -13.969 1.944 590 HB VAL 106 HB VAL 106 1.807 -16.314 0.112 591 1HG1 VAL 106 1HG1 VAL 106 0.157 -16.677 1.899 592 2HG1 VAL 106 2HG1 VAL 106 1.793 -16.635 2.561 593 3HG1 VAL 106 3HG1 VAL 106 0.731 -15.220 2.752 594 1HG2 VAL 106 1HG2 VAL 106 -0.004 -13.990 0.794 595 2HG2 VAL 106 2HG2 VAL 106 0.561 -14.387 -0.854 596 3HG2 VAL 106 3HG2 VAL 106 -0.521 -15.482 0.001 597 H GLY 107 H GLY 107 4.367 -15.424 -0.647 598 1HA GLY 107 1HA GLY 107 5.521 -17.629 0.566 599 2HA GLY 107 2HA GLY 107 6.287 -16.676 -0.705 600 H GLN 108 H GLN 108 6.938 -14.354 0.269 601 HA GLN 108 HA GLN 108 8.840 -15.004 2.447 602 1HB GLN 108 1HB GLN 108 9.612 -14.087 0.243 603 2HB GLN 108 2HB GLN 108 8.792 -12.565 0.622 604 1HG GLN 108 1HG GLN 108 11.287 -12.612 0.984 605 2HG GLN 108 2HG GLN 108 10.355 -12.067 2.377 606 1HE2 GLN 108 1HE2 GLN 108 10.030 -13.695 4.178 607 2HE2 GLN 108 2HE2 GLN 108 11.282 -14.908 4.418 608 H GLN 109 H GLN 109 5.787 -13.940 2.424 609 HA GLN 109 HA GLN 109 4.454 -12.640 3.564 610 1HB GLN 109 1HB GLN 109 6.518 -13.060 5.738 611 2HB GLN 109 2HB GLN 109 4.946 -12.249 5.970 612 1HG GLN 109 1HG GLN 109 3.893 -14.364 4.961 613 2HG GLN 109 2HG GLN 109 5.482 -15.126 5.145 614 1HE2 GLN 109 1HE2 GLN 109 2.964 -13.296 7.084 615 2HE2 GLN 109 2HE2 GLN 109 3.242 -14.252 8.512 616 H ARG 110 H ARG 110 5.482 -11.230 1.786 617 HA ARG 110 HA ARG 110 6.450 -8.670 2.962 618 1HB ARG 110 1HB ARG 110 8.276 -10.049 2.026 619 2HB ARG 110 2HB ARG 110 7.473 -9.992 0.450 620 1HG ARG 110 1HG ARG 110 7.577 -7.433 0.639 621 2HG ARG 110 2HG ARG 110 8.648 -7.701 2.035 622 1HD ARG 110 1HD ARG 110 9.775 -9.387 0.212 623 2HD ARG 110 2HD ARG 110 9.134 -8.175 -0.885 624 HE ARG 110 HE ARG 110 10.926 -7.633 1.428 625 1HH1 ARG 110 2HH2 ARG 110 10.142 -6.886 -2.006 626 2HH1 ARG 110 1HH2 ARG 110 11.821 -6.576 -2.347 627 1HH2 ARG 110 2HH1 ARG 110 12.901 -6.655 0.979 628 2HH2 ARG 110 1HH1 ARG 110 13.222 -5.893 -0.555 629 H LEU 111 H LEU 111 4.899 -7.197 2.619 630 HA LEU 111 HA LEU 111 3.198 -7.436 0.225 631 1HB LEU 111 1HB LEU 111 2.010 -6.871 2.248 632 2HB LEU 111 2HB LEU 111 3.087 -5.503 2.548 633 HG LEU 111 HG LEU 111 2.300 -4.561 0.356 634 1HD1 LEU 111 1HD1 LEU 111 0.228 -5.301 -0.650 635 2HD1 LEU 111 2HD1 LEU 111 1.421 -6.570 -0.685 636 3HD1 LEU 111 3HD1 LEU 111 0.112 -6.654 0.513 637 1HD2 LEU 111 1HD2 LEU 111 0.063 -3.811 1.267 638 2HD2 LEU 111 2HD2 LEU 111 0.262 -5.034 2.552 639 3HD2 LEU 111 3HD2 LEU 111 1.392 -3.658 2.394 640 H ASN 112 H ASN 112 4.710 -7.191 -1.280 641 HA ASN 112 HA ASN 112 6.750 -5.152 -1.519 642 1HB ASN 112 1HB ASN 112 5.360 -7.112 -3.368 643 2HB ASN 112 2HB ASN 112 6.335 -5.775 -4.041 644 1HD2 ASN 112 1HD2 ASN 112 6.510 -9.024 -2.939 645 2HD2 ASN 112 2HD2 ASN 112 8.232 -9.094 -2.921 646 H LEU 113 H LEU 113 6.411 -3.057 -1.990 647 HA LEU 113 HA LEU 113 3.916 -2.177 -3.282 648 1HB LEU 113 1HB LEU 113 4.600 -2.000 -0.507 649 2HB LEU 113 2HB LEU 113 4.863 -0.382 -1.202 650 HG LEU 113 HG LEU 113 2.404 -1.131 -2.151 651 1HD1 LEU 113 1HD1 LEU 113 2.055 -2.985 -0.964 652 2HD1 LEU 113 2HD1 LEU 113 2.515 -2.225 0.575 653 3HD1 LEU 113 3HD1 LEU 113 1.016 -1.750 -0.252 654 1HD2 LEU 113 1HD2 LEU 113 2.927 0.559 0.236 655 2HD2 LEU 113 2HD2 LEU 113 2.971 1.076 -1.465 656 3HD2 LEU 113 3HD2 LEU 113 1.444 0.543 -0.758 657 H THR 114 H THR 114 4.181 0.119 -4.081 658 HA THR 114 HA THR 114 6.891 1.224 -4.189 659 HB THR 114 HB THR 114 5.306 0.481 -6.707 660 HG1 THR 114 1HG THR 114 7.197 -0.841 -5.255 661 1HG2 THR 114 1HG2 THR 114 8.118 1.635 -6.494 662 2HG2 THR 114 2HG2 THR 114 7.293 1.115 -7.985 663 3HG2 THR 114 3HG2 THR 114 6.679 2.494 -7.088 664 H ILE 115 H ILE 115 6.768 3.484 -4.688 665 HA ILE 115 HA ILE 115 4.283 4.585 -5.691 666 HB ILE 115 HB ILE 115 5.481 5.358 -3.008 667 1HG1 ILE 115 1HG1 ILE 115 2.668 4.782 -4.051 668 2HG1 ILE 115 2HG1 ILE 115 3.617 3.754 -2.953 669 1HG2 ILE 115 1HG2 ILE 115 4.254 7.449 -2.978 670 2HG2 ILE 115 2HG2 ILE 115 5.338 7.459 -4.325 671 3HG2 ILE 115 3HG2 ILE 115 3.605 7.126 -4.604 672 1HD1 ILE 115 1HD1 ILE 115 2.072 4.828 -1.573 673 2HD1 ILE 115 2HD1 ILE 115 3.611 5.701 -1.331 674 3HD1 ILE 115 3HD1 ILE 115 2.343 6.399 -2.377 675 HA PRO 116 HA PRO 116 7.583 6.548 -7.970 676 1HB PRO 116 1HB PRO 116 6.136 8.377 -9.369 677 2HB PRO 116 2HB PRO 116 6.077 6.640 -9.742 678 1HG PRO 116 1HG PRO 116 4.144 8.248 -8.070 679 2HG PRO 116 2HG PRO 116 3.770 7.092 -9.387 680 1HD PRO 116 1HD PRO 116 3.693 6.392 -6.747 681 2HD PRO 116 2HD PRO 116 4.255 5.242 -7.985 682 H GLN 117 H GLN 117 8.741 8.473 -7.917 683 HA GLN 117 HA GLN 117 8.986 9.815 -5.554 684 1HB GLN 117 1HB GLN 117 9.776 10.708 -8.354 685 2HB GLN 117 2HB GLN 117 10.310 11.551 -6.877 686 1HG GLN 117 1HG GLN 117 10.892 8.646 -7.549 687 2HG GLN 117 2HG GLN 117 12.023 10.016 -7.720 688 1HE2 GLN 117 1HE2 GLN 117 10.724 7.647 -5.538 689 2HE2 GLN 117 2HE2 GLN 117 11.584 8.195 -4.101 690 H ALA 118 H ALA 118 6.983 10.933 -8.275 691 HA ALA 118 HA ALA 118 6.548 13.552 -7.346 692 1HB ALA 118 1HB ALA 118 4.450 13.359 -8.791 693 2HB ALA 118 2HB ALA 118 5.998 12.975 -9.587 694 3HB ALA 118 3HB ALA 118 4.915 11.671 -9.091 695 H PHE 119 H PHE 119 5.263 10.514 -5.942 696 HA PHE 119 HA PHE 119 3.141 12.047 -4.558 697 1HB PHE 119 1HB PHE 119 3.511 9.158 -5.404 698 2HB PHE 119 2HB PHE 119 2.174 9.736 -4.413 699 HD1 PHE 119 1HD PHE 119 3.777 10.379 -7.803 700 HD2 PHE 119 2HD PHE 119 0.197 10.185 -5.481 701 HE1 PHE 119 1HE PHE 119 2.466 10.864 -9.828 702 HE2 PHE 119 2HE PHE 119 -1.162 10.548 -7.568 703 HZ PHE 119 HZ PHE 119 -0.014 10.912 -9.723 704 H MET 120 H MET 120 5.982 12.171 -3.843 705 HA MET 120 HA MET 120 5.888 10.821 -1.199 706 1HB MET 120 1HB MET 120 8.273 11.129 -3.051 707 2HB MET 120 2HB MET 120 8.333 10.494 -1.392 708 1HG MET 120 1HG MET 120 6.373 8.935 -2.473 709 2HG MET 120 2HG MET 120 7.399 9.198 -3.883 710 1HE MET 120 1HE MET 120 8.145 8.749 0.049 711 2HE MET 120 2HE MET 120 6.891 7.575 -0.404 712 3HE MET 120 3HE MET 120 8.510 7.014 0.060 713 H SER 121 H SER 121 6.600 12.111 0.512 714 HA SER 121 HA SER 121 6.149 14.947 -0.005 715 1HB SER 121 1HB SER 121 5.177 13.952 1.931 716 2HB SER 121 2HB SER 121 6.748 13.366 2.489 717 HG SER 121 HG SER 121 5.727 16.015 2.386 718 H ASN 122 H ASN 122 8.918 13.022 1.168 719 HA ASN 122 HA ASN 122 10.940 14.551 -0.112 720 1HB ASN 122 1HB ASN 122 11.954 15.123 2.320 721 2HB ASN 122 2HB ASN 122 11.058 16.249 1.310 722 1HD2 ASN 122 1HD2 ASN 122 9.274 17.235 2.276 723 2HD2 ASN 122 2HD2 ASN 122 8.253 16.435 3.463 724 H ARG 123 H ARG 123 10.353 13.033 3.075 725 HA ARG 123 HA ARG 123 12.063 10.818 2.211 726 1HB ARG 123 1HB ARG 123 12.213 12.259 4.856 727 2HB ARG 123 2HB ARG 123 12.800 10.589 4.601 728 1HG ARG 123 1HG ARG 123 13.881 11.818 2.430 729 2HG ARG 123 2HG ARG 123 13.855 13.208 3.508 730 1HD ARG 123 1HD ARG 123 15.359 12.135 5.043 731 2HD ARG 123 2HD ARG 123 15.086 10.540 4.307 732 HE ARG 123 HE ARG 123 16.698 12.769 3.202 733 1HH1 ARG 123 2HH2 ARG 123 15.247 9.588 2.585 734 2HH1 ARG 123 1HH2 ARG 123 16.218 9.235 1.231 735 1HH2 ARG 123 2HH1 ARG 123 18.055 12.282 1.414 736 2HH2 ARG 123 1HH1 ARG 123 17.895 10.770 0.577 737 H ALA 124 H ALA 124 11.706 8.901 3.244 738 HA ALA 124 HA ALA 124 9.131 8.428 4.621 739 1HB ALA 124 1HB ALA 124 9.204 6.172 3.686 740 2HB ALA 124 2HB ALA 124 9.132 7.351 2.361 741 3HB ALA 124 3HB ALA 124 10.676 6.557 2.758 742 H ARG 125 H ARG 125 9.614 7.805 6.678 743 HA ARG 125 HA ARG 125 12.289 6.815 7.330 744 1HB ARG 125 1HB ARG 125 10.965 9.132 8.773 745 2HB ARG 125 2HB ARG 125 12.515 8.382 9.196 746 1HG ARG 125 1HG ARG 125 11.903 9.917 6.646 747 2HG ARG 125 2HG ARG 125 12.776 10.561 8.046 748 1HD ARG 125 1HD ARG 125 13.929 8.061 6.949 749 2HD ARG 125 2HD ARG 125 13.917 9.419 5.796 750 HE ARG 125 HE ARG 125 15.340 10.651 7.194 751 1HH1 ARG 125 2HH2 ARG 125 14.840 7.352 8.539 752 2HH1 ARG 125 1HH2 ARG 125 16.238 7.467 9.530 753 1HH2 ARG 125 2HH1 ARG 125 16.916 10.872 8.763 754 2HH2 ARG 125 1HH1 ARG 125 17.334 9.585 9.818 Start of MODEL 16 1 1H GLY 25 H GLY 25 -4.306 -12.882 -12.224 2 1HA GLY 25 1HA GLY 25 -7.104 -12.803 -13.220 3 2HA GLY 25 2HA GLY 25 -6.097 -14.267 -13.335 4 H GLN 26 H GLN 26 -8.566 -13.359 -11.581 5 HA GLN 26 HA GLN 26 -7.686 -13.015 -8.926 6 1HB GLN 26 1HB GLN 26 -10.093 -13.030 -10.282 7 2HB GLN 26 2HB GLN 26 -10.281 -14.465 -9.280 8 1HG GLN 26 1HG GLN 26 -9.551 -11.700 -8.226 9 2HG GLN 26 2HG GLN 26 -11.212 -12.356 -8.319 10 1HE2 GLN 26 1HE2 GLN 26 -7.974 -12.871 -6.596 11 2HE2 GLN 26 2HE2 GLN 26 -8.808 -13.546 -5.240 12 H GLU 27 H GLU 27 -6.618 -14.439 -7.563 13 HA GLU 27 HA GLU 27 -7.254 -17.314 -7.765 14 1HB GLU 27 1HB GLU 27 -4.826 -17.787 -7.990 15 2HB GLU 27 2HB GLU 27 -5.419 -16.867 -9.377 16 1HG GLU 27 1HG GLU 27 -4.352 -14.862 -8.628 17 2HG GLU 27 2HG GLU 27 -4.107 -15.511 -6.984 18 HE2 GLU 27 HE GLU 27 -0.975 -16.610 -7.884 19 H LEU 28 H LEU 28 -7.430 -15.082 -5.762 20 HA LEU 28 HA LEU 28 -6.431 -16.583 -3.457 21 1HB LEU 28 1HB LEU 28 -5.442 -13.809 -4.125 22 2HB LEU 28 2HB LEU 28 -5.530 -14.379 -2.438 23 HG LEU 28 HG LEU 28 -3.838 -15.555 -4.676 24 1HD1 LEU 28 1HD1 LEU 28 -3.090 -13.373 -3.562 25 2HD1 LEU 28 2HD1 LEU 28 -2.934 -14.282 -2.055 26 3HD1 LEU 28 3HD1 LEU 28 -1.968 -14.720 -3.469 27 1HD2 LEU 28 1HD2 LEU 28 -4.457 -17.417 -3.261 28 2HD2 LEU 28 2HD2 LEU 28 -2.822 -16.956 -2.851 29 3HD2 LEU 28 3HD2 LEU 28 -4.167 -16.472 -1.776 30 HA PRO 29 HA PRO 29 -10.516 -15.018 -2.409 31 1HB PRO 29 1HB PRO 29 -10.819 -16.163 0.065 32 2HB PRO 29 2HB PRO 29 -10.949 -17.108 -1.445 33 1HG PRO 29 1HG PRO 29 -8.569 -16.846 0.392 34 2HG PRO 29 2HG PRO 29 -9.218 -18.336 -0.369 35 1HD PRO 29 1HD PRO 29 -7.077 -16.921 -1.368 36 2HD PRO 29 2HD PRO 29 -8.181 -17.812 -2.431 37 HA PRO 30 HA PRO 30 -9.102 -11.473 -0.054 38 1HB PRO 30 1HB PRO 30 -11.442 -10.333 0.748 39 2HB PRO 30 2HB PRO 30 -10.793 -10.287 -0.927 40 1HG PRO 30 1HG PRO 30 -12.839 -12.192 0.203 41 2HG PRO 30 2HG PRO 30 -12.938 -11.247 -1.313 42 1HD PRO 30 1HD PRO 30 -12.130 -13.845 -1.282 43 2HD PRO 30 2HD PRO 30 -11.376 -12.678 -2.391 44 H GLY 31 H GLY 31 -9.144 -10.590 2.192 45 1HA GLY 31 1HA GLY 31 -9.872 -12.036 4.495 46 2HA GLY 31 2HA GLY 31 -8.490 -12.898 3.806 47 H THR 32 H THR 32 -7.061 -12.378 5.594 48 HA THR 32 HA THR 32 -5.862 -9.757 5.361 49 HB THR 32 HB THR 32 -7.648 -9.588 7.163 50 HG1 THR 32 1HG THR 32 -6.453 -8.051 7.626 51 1HG2 THR 32 1HG2 THR 32 -5.653 -11.172 8.841 52 2HG2 THR 32 2HG2 THR 32 -7.194 -10.470 9.378 53 3HG2 THR 32 3HG2 THR 32 -7.198 -11.840 8.253 54 H TYR 33 H TYR 33 -3.696 -9.983 5.335 55 HA TYR 33 HA TYR 33 -2.461 -12.610 6.070 56 1HB TYR 33 1HB TYR 33 -0.566 -11.829 4.679 57 2HB TYR 33 2HB TYR 33 -2.049 -12.070 3.750 58 HD1 TYR 33 1HD TYR 33 -2.792 -10.432 2.424 59 HD2 TYR 33 2HD TYR 33 -0.035 -9.193 5.391 60 HE1 TYR 33 1HE TYR 33 -2.792 -8.136 1.484 61 HE2 TYR 33 2HE TYR 33 0.173 -7.008 4.162 62 HH TYR 33 HH TYR 33 -0.172 -5.949 2.065 63 H ARG 34 H ARG 34 -0.075 -12.157 6.812 64 HA ARG 34 HA ARG 34 0.299 -9.781 8.463 65 1HB ARG 34 1HB ARG 34 -0.066 -11.670 9.897 66 2HB ARG 34 2HB ARG 34 0.821 -12.776 8.821 67 1HG ARG 34 1HG ARG 34 2.060 -12.197 10.878 68 2HG ARG 34 2HG ARG 34 2.930 -11.795 9.382 69 1HD ARG 34 1HD ARG 34 3.186 -9.994 10.936 70 2HD ARG 34 2HD ARG 34 2.181 -9.408 9.621 71 HE ARG 34 HE ARG 34 0.215 -9.914 11.092 72 1HH1 ARG 34 2HH2 ARG 34 3.332 -9.423 12.830 73 2HH1 ARG 34 1HH2 ARG 34 2.488 -9.092 14.305 74 1HH2 ARG 34 2HH1 ARG 34 -0.737 -9.607 12.915 75 2HH2 ARG 34 1HH1 ARG 34 0.099 -9.296 14.407 76 H VAL 35 H VAL 35 1.915 -8.601 7.404 77 HA VAL 35 HA VAL 35 4.333 -9.945 6.423 78 HB VAL 35 HB VAL 35 4.140 -9.224 4.118 79 1HG1 VAL 35 1HG1 VAL 35 2.134 -10.396 3.172 80 2HG1 VAL 35 2HG1 VAL 35 3.002 -11.389 4.354 81 3HG1 VAL 35 3HG1 VAL 35 1.486 -10.597 4.739 82 1HG2 VAL 35 1HG2 VAL 35 3.134 -7.151 4.193 83 2HG2 VAL 35 2HG2 VAL 35 1.936 -8.165 3.369 84 3HG2 VAL 35 3HG2 VAL 35 1.757 -7.731 5.124 85 H ASP 36 H ASP 36 5.574 -8.090 5.164 86 HA ASP 36 HA ASP 36 5.533 -5.770 7.038 87 1HB ASP 36 1HB ASP 36 7.895 -6.102 5.319 88 2HB ASP 36 2HB ASP 36 7.699 -5.518 6.989 89 HD2 ASP 36 HD ASP 36 8.230 -8.795 8.251 90 H ILE 37 H ILE 37 4.763 -4.018 6.083 91 HA ILE 37 HA ILE 37 4.206 -3.764 3.224 92 HB ILE 37 HB ILE 37 4.105 -1.739 5.523 93 1HG1 ILE 37 1HG1 ILE 37 1.522 -2.112 4.691 94 2HG1 ILE 37 2HG1 ILE 37 2.147 -3.754 4.482 95 1HG2 ILE 37 1HG2 ILE 37 2.791 -0.344 3.948 96 2HG2 ILE 37 2HG2 ILE 37 4.441 -0.578 3.413 97 3HG2 ILE 37 3HG2 ILE 37 3.130 -1.507 2.643 98 1HD1 ILE 37 1HD1 ILE 37 2.769 -3.878 6.834 99 2HD1 ILE 37 2HD1 ILE 37 2.320 -2.172 7.079 100 3HD1 ILE 37 3HD1 ILE 37 1.081 -3.377 6.701 101 H TYR 38 H TYR 38 5.771 -3.368 1.836 102 HA TYR 38 HA TYR 38 8.346 -2.231 2.747 103 1HB TYR 38 1HB TYR 38 7.690 -4.766 1.792 104 2HB TYR 38 2HB TYR 38 8.302 -3.991 0.353 105 HD1 TYR 38 1HD TYR 38 10.566 -3.689 0.021 106 HD2 TYR 38 2HD TYR 38 9.129 -4.905 3.866 107 HE1 TYR 38 1HE TYR 38 12.933 -4.053 0.767 108 HE2 TYR 38 2HE TYR 38 11.449 -5.357 4.607 109 HH TYR 38 HH TYR 38 14.229 -4.336 2.671 110 H LEU 39 H LEU 39 8.228 -0.109 1.929 111 HA LEU 39 HA LEU 39 6.776 0.228 -0.628 112 1HB LEU 39 1HB LEU 39 6.150 1.789 1.204 113 2HB LEU 39 2HB LEU 39 7.838 2.347 1.264 114 HG LEU 39 HG LEU 39 7.475 2.840 -1.312 115 1HD1 LEU 39 1HD1 LEU 39 4.603 2.791 -0.342 116 2HD1 LEU 39 2HD1 LEU 39 5.178 3.425 -1.891 117 3HD1 LEU 39 3HD1 LEU 39 5.322 1.707 -1.559 118 1HD2 LEU 39 1HD2 LEU 39 6.731 5.044 -0.859 119 2HD2 LEU 39 2HD2 LEU 39 6.118 4.565 0.732 120 3HD2 LEU 39 3HD2 LEU 39 7.865 4.517 0.410 121 H ASN 40 H ASN 40 8.015 0.402 -2.437 122 HA ASN 40 HA ASN 40 9.834 0.695 -3.808 123 1HB ASN 40 1HB ASN 40 10.221 3.086 -1.968 124 2HB ASN 40 2HB ASN 40 11.053 2.858 -3.532 125 1HD2 ASN 40 1HD2 ASN 40 8.849 4.785 -2.325 126 2HD2 ASN 40 2HD2 ASN 40 7.804 4.942 -3.740 127 H ASN 41 H ASN 41 10.233 -1.229 -1.942 128 HA ASN 41 HA ASN 41 11.757 -2.598 -1.172 129 1HB ASN 41 1HB ASN 41 13.916 -1.010 -2.511 130 2HB ASN 41 2HB ASN 41 13.886 -2.736 -2.127 131 1HD2 ASN 41 1HD2 ASN 41 11.538 -3.771 -3.176 132 2HD2 ASN 41 2HD2 ASN 41 11.413 -3.345 -4.851 133 H GLY 42 H GLY 42 10.822 -0.845 0.733 134 1HA GLY 42 1HA GLY 42 13.056 -0.951 2.626 135 2HA GLY 42 2HA GLY 42 12.314 0.632 2.321 136 H TYR 43 H TYR 43 12.193 -1.787 4.493 137 HA TYR 43 HA TYR 43 9.371 -2.367 4.806 138 1HB TYR 43 1HB TYR 43 10.622 -3.852 6.012 139 2HB TYR 43 2HB TYR 43 11.910 -2.694 6.363 140 HD1 TYR 43 1HD TYR 43 8.252 -3.190 7.234 141 HD2 TYR 43 2HD TYR 43 12.218 -2.130 8.598 142 HE1 TYR 43 1HE TYR 43 7.396 -2.773 9.501 143 HE2 TYR 43 2HE TYR 43 11.316 -1.716 10.858 144 HH TYR 43 HH TYR 43 9.345 -1.208 12.007 145 H MET 44 H MET 44 7.824 -1.041 5.408 146 HA MET 44 HA MET 44 8.460 1.557 6.730 147 1HB MET 44 1HB MET 44 6.026 0.702 5.146 148 2HB MET 44 2HB MET 44 6.302 2.315 5.826 149 1HG MET 44 1HG MET 44 8.174 1.085 3.806 150 2HG MET 44 2HG MET 44 6.674 1.948 3.355 151 1HE MET 44 1HE MET 44 10.586 3.907 4.727 152 2HE MET 44 2HE MET 44 9.751 2.942 5.944 153 3HE MET 44 3HE MET 44 10.344 2.165 4.448 154 H ALA 45 H ALA 45 6.119 -1.224 6.851 155 HA ALA 45 HA ALA 45 5.820 -0.896 9.716 156 1HB ALA 45 1HB ALA 45 4.155 0.739 9.056 157 2HB ALA 45 2HB ALA 45 3.483 -0.353 7.829 158 3HB ALA 45 3HB ALA 45 3.304 -0.733 9.560 159 H THR 46 H THR 46 4.571 -2.788 10.592 160 HA THR 46 HA THR 46 4.195 -5.034 8.724 161 HB THR 46 HB THR 46 5.986 -5.138 11.178 162 HG1 THR 46 1HG THR 46 7.486 -5.812 9.397 163 1HG2 THR 46 1HG2 THR 46 6.422 -7.452 10.649 164 2HG2 THR 46 2HG2 THR 46 4.677 -7.275 10.794 165 3HG2 THR 46 3HG2 THR 46 5.429 -7.383 9.188 166 H ARG 47 H ARG 47 2.472 -6.251 9.338 167 HA ARG 47 HA ARG 47 1.197 -6.517 11.782 168 1HB ARG 47 1HB ARG 47 -0.783 -4.928 11.183 169 2HB ARG 47 2HB ARG 47 0.596 -4.327 12.126 170 1HG ARG 47 1HG ARG 47 0.900 -2.670 10.694 171 2HG ARG 47 2HG ARG 47 1.055 -3.753 9.310 172 1HD ARG 47 1HD ARG 47 -0.738 -2.106 9.001 173 2HD ARG 47 2HD ARG 47 -1.361 -3.762 8.985 174 HE ARG 47 HE ARG 47 -1.454 -2.596 11.625 175 1HH1 ARG 47 2HH2 ARG 47 -3.262 -2.507 8.590 176 2HH1 ARG 47 1HH2 ARG 47 -4.745 -2.046 9.358 177 1HH2 ARG 47 2HH1 ARG 47 -3.294 -2.162 12.596 178 2HH2 ARG 47 1HH1 ARG 47 -4.830 -1.975 11.816 179 H ASP 48 H ASP 48 -1.279 -6.948 11.257 180 HA ASP 48 HA ASP 48 -1.334 -8.550 8.879 181 1HB ASP 48 1HB ASP 48 -3.292 -8.080 11.125 182 2HB ASP 48 2HB ASP 48 -3.871 -8.778 9.591 183 HD2 ASP 48 HD ASP 48 -3.079 -11.861 10.887 184 H VAL 49 H VAL 49 -2.422 -7.880 6.807 185 HA VAL 49 HA VAL 49 -3.574 -5.156 6.788 186 HB VAL 49 HB VAL 49 -2.085 -6.591 4.764 187 1HG1 VAL 49 1HG1 VAL 49 -2.903 -3.723 4.892 188 2HG1 VAL 49 2HG1 VAL 49 -1.769 -4.410 3.687 189 3HG1 VAL 49 3HG1 VAL 49 -3.451 -5.016 3.784 190 1HG2 VAL 49 1HG2 VAL 49 -1.017 -4.519 6.702 191 2HG2 VAL 49 2HG2 VAL 49 -0.409 -6.180 6.459 192 3HG2 VAL 49 3HG2 VAL 49 -0.167 -4.971 5.203 193 H THR 50 H THR 50 -5.735 -5.480 6.571 194 HA THR 50 HA THR 50 -6.855 -7.941 5.468 195 HB THR 50 HB THR 50 -8.192 -5.305 6.143 196 HG1 THR 50 1HG THR 50 -7.113 -6.007 7.962 197 1HG2 THR 50 1HG2 THR 50 -9.317 -8.131 6.111 198 2HG2 THR 50 2HG2 THR 50 -10.195 -6.639 6.505 199 3HG2 THR 50 3HG2 THR 50 -9.603 -6.894 4.868 200 H PHE 51 H PHE 51 -7.792 -8.205 3.303 201 HA PHE 51 HA PHE 51 -7.517 -5.967 1.473 202 1HB PHE 51 1HB PHE 51 -6.444 -7.634 -0.088 203 2HB PHE 51 2HB PHE 51 -5.425 -7.224 1.299 204 HD1 PHE 51 1HD PHE 51 -7.555 -9.849 -0.212 205 HD2 PHE 51 2HD PHE 51 -4.840 -8.885 2.968 206 HE1 PHE 51 1HE PHE 51 -7.166 -12.253 0.221 207 HE2 PHE 51 2HE PHE 51 -4.595 -11.341 3.454 208 HZ PHE 51 HZ PHE 51 -5.780 -12.994 2.123 209 H ASN 52 H ASN 52 -8.792 -6.314 -0.433 210 HA ASN 52 HA ASN 52 -11.041 -8.236 -0.187 211 1HB ASN 52 1HB ASN 52 -12.350 -6.189 -1.246 212 2HB ASN 52 2HB ASN 52 -12.265 -6.483 0.499 213 1HD2 ASN 52 1HD2 ASN 52 -10.783 -5.278 1.775 214 2HD2 ASN 52 2HD2 ASN 52 -10.178 -3.697 1.217 215 H THR 53 H THR 53 -12.238 -8.498 -2.293 216 HA THR 53 HA THR 53 -10.409 -9.062 -4.335 217 HB THR 53 HB THR 53 -13.240 -8.867 -5.162 218 HG1 THR 53 1HG THR 53 -13.741 -10.694 -3.691 219 1HG2 THR 53 1HG2 THR 53 -11.477 -10.348 -6.183 220 2HG2 THR 53 2HG2 THR 53 -11.409 -11.260 -4.650 221 3HG2 THR 53 3HG2 THR 53 -12.893 -11.257 -5.624 222 H GLY 54 H GLY 54 -9.753 -7.895 -6.064 223 1HA GLY 54 1HA GLY 54 -11.027 -5.399 -6.897 224 2HA GLY 54 2HA GLY 54 -9.402 -5.242 -6.188 225 H ASP 55 H ASP 55 -8.425 -4.674 -8.232 226 HA ASP 55 HA ASP 55 -8.150 -6.967 -10.068 227 1HB ASP 55 1HB ASP 55 -9.629 -4.573 -10.631 228 2HB ASP 55 2HB ASP 55 -8.111 -4.502 -11.551 229 HD2 ASP 55 HD ASP 55 -10.274 -6.254 -13.768 230 H SER 56 H SER 56 -6.222 -7.507 -9.503 231 HA SER 56 HA SER 56 -4.092 -6.190 -10.657 232 1HB SER 56 1HB SER 56 -4.095 -6.363 -7.605 233 2HB SER 56 2HB SER 56 -2.611 -6.189 -8.577 234 HG SER 56 HG SER 56 -4.826 -4.426 -8.691 235 H GLU 57 H GLU 57 -2.063 -7.828 -9.869 236 HA GLU 57 HA GLU 57 -2.532 -9.986 -11.332 237 1HB GLU 57 1HB GLU 57 -0.574 -9.903 -9.007 238 2HB GLU 57 2HB GLU 57 -0.565 -11.085 -10.352 239 1HG GLU 57 1HG GLU 57 -0.417 -9.090 -11.931 240 2HG GLU 57 2HG GLU 57 -0.095 -8.084 -10.508 241 HE2 GLU 57 HE GLU 57 3.210 -9.114 -10.450 242 H GLN 58 H GLN 58 -2.440 -10.339 -7.731 243 HA GLN 58 HA GLN 58 -3.437 -13.056 -8.029 244 1HB GLN 58 1HB GLN 58 -3.505 -11.850 -5.333 245 2HB GLN 58 2HB GLN 58 -2.939 -13.443 -5.905 246 1HG GLN 58 1HG GLN 58 -0.939 -12.514 -5.262 247 2HG GLN 58 2HG GLN 58 -0.966 -11.994 -6.936 248 1HE2 GLN 58 1HE2 GLN 58 -1.299 -11.046 -3.567 249 2HE2 GLN 58 2HE2 GLN 58 -1.683 -9.347 -3.794 250 H GLY 59 H GLY 59 -5.029 -10.056 -7.905 251 1HA GLY 59 1HA GLY 59 -7.277 -10.039 -8.542 252 2HA GLY 59 2HA GLY 59 -7.607 -11.443 -7.592 253 H ILE 60 H ILE 60 -5.711 -9.300 -5.729 254 HA ILE 60 HA ILE 60 -8.059 -8.335 -4.209 255 HB ILE 60 HB ILE 60 -6.867 -9.272 -2.104 256 1HG1 ILE 60 1HG1 ILE 60 -5.773 -11.303 -4.098 257 2HG1 ILE 60 2HG1 ILE 60 -4.777 -9.968 -3.473 258 1HG2 ILE 60 1HG2 ILE 60 -8.261 -11.194 -4.027 259 2HG2 ILE 60 2HG2 ILE 60 -8.092 -11.427 -2.284 260 3HG2 ILE 60 3HG2 ILE 60 -9.046 -10.078 -2.892 261 1HD1 ILE 60 1HD1 ILE 60 -6.051 -12.153 -1.785 262 2HD1 ILE 60 2HD1 ILE 60 -4.344 -12.012 -2.234 263 3HD1 ILE 60 3HD1 ILE 60 -5.053 -10.784 -1.195 264 H VAL 61 H VAL 61 -7.633 -6.633 -2.766 265 HA VAL 61 HA VAL 61 -4.954 -5.418 -3.033 266 HB VAL 61 HB VAL 61 -5.890 -3.314 -3.475 267 1HG1 VAL 61 1HG1 VAL 61 -7.303 -5.282 -5.330 268 2HG1 VAL 61 2HG1 VAL 61 -6.726 -3.645 -5.693 269 3HG1 VAL 61 3HG1 VAL 61 -5.564 -4.945 -5.375 270 1HG2 VAL 61 1HG2 VAL 61 -8.338 -3.019 -3.987 271 2HG2 VAL 61 2HG2 VAL 61 -8.654 -4.585 -3.200 272 3HG2 VAL 61 3HG2 VAL 61 -7.967 -3.234 -2.277 273 HA PRO 62 HA PRO 62 -5.341 -5.085 1.488 274 1HB PRO 62 1HB PRO 62 -3.241 -3.440 1.908 275 2HB PRO 62 2HB PRO 62 -3.178 -5.209 1.597 276 1HG PRO 62 1HG PRO 62 -2.450 -2.973 -0.206 277 2HG PRO 62 2HG PRO 62 -1.807 -4.655 -0.144 278 1HD PRO 62 1HD PRO 62 -3.743 -3.613 -1.941 279 2HD PRO 62 2HD PRO 62 -3.337 -5.324 -1.705 280 H CYS 63 H CYS 63 -5.882 -3.619 3.037 281 HA CYS 63 HA CYS 63 -7.171 -1.086 2.233 282 1HB CYS 63 1HB CYS 63 -8.287 -2.553 3.823 283 2HB CYS 63 2HB CYS 63 -6.878 -2.523 4.903 284 HG CYS 63 HG CYS 63 -8.827 -1.167 5.978 285 H LEU 64 H LEU 64 -5.491 0.342 1.678 286 HA LEU 64 HA LEU 64 -3.390 0.883 3.740 287 1HB LEU 64 1HB LEU 64 -3.544 1.528 0.773 288 2HB LEU 64 2HB LEU 64 -2.365 2.234 1.905 289 HG LEU 64 HG LEU 64 -2.514 -0.751 1.898 290 1HD1 LEU 64 1HD1 LEU 64 -1.109 -0.982 -0.126 291 2HD1 LEU 64 2HD1 LEU 64 -2.732 -0.450 -0.503 292 3HD1 LEU 64 3HD1 LEU 64 -1.404 0.726 -0.525 293 1HD2 LEU 64 1HD2 LEU 64 -0.174 1.165 1.642 294 2HD2 LEU 64 2HD2 LEU 64 -0.837 0.642 3.191 295 3HD2 LEU 64 3HD2 LEU 64 -0.095 -0.546 2.101 296 H THR 65 H THR 65 -3.949 2.564 5.052 297 HA THR 65 HA THR 65 -6.229 4.234 4.225 298 HB THR 65 HB THR 65 -6.482 4.803 6.445 299 HG1 THR 65 1HG THR 65 -4.998 4.808 7.923 300 1HG2 THR 65 1HG2 THR 65 -5.261 1.978 6.567 301 2HG2 THR 65 2HG2 THR 65 -6.230 2.711 7.825 302 3HG2 THR 65 3HG2 THR 65 -6.951 2.383 6.239 303 H ARG 66 H ARG 66 -6.028 6.807 4.717 304 HA ARG 66 HA ARG 66 -3.747 7.825 3.421 305 1HB ARG 66 1HB ARG 66 -5.873 9.085 3.858 306 2HB ARG 66 2HB ARG 66 -5.437 9.209 5.569 307 1HG ARG 66 1HG ARG 66 -3.555 10.586 5.103 308 2HG ARG 66 2HG ARG 66 -3.540 10.087 3.379 309 1HD ARG 66 1HD ARG 66 -4.642 11.888 2.842 310 2HD ARG 66 2HD ARG 66 -6.034 11.304 3.746 311 HE ARG 66 HE ARG 66 -4.367 13.556 4.352 312 1HH1 ARG 66 2HH2 ARG 66 -6.116 10.987 6.012 313 2HH1 ARG 66 1HH2 ARG 66 -6.358 11.868 7.462 314 1HH2 ARG 66 2HH1 ARG 66 -4.902 14.891 6.194 315 2HH2 ARG 66 1HH1 ARG 66 -5.980 14.220 7.367 316 H ALA 67 H ALA 67 -4.308 7.042 6.870 317 HA ALA 67 HA ALA 67 -1.993 8.383 7.812 318 1HB ALA 67 1HB ALA 67 -2.179 7.012 9.797 319 2HB ALA 67 2HB ALA 67 -3.816 7.533 9.329 320 3HB ALA 67 3HB ALA 67 -3.263 5.871 9.002 321 H GLN 68 H GLN 68 -2.570 5.048 6.616 322 HA GLN 68 HA GLN 68 0.015 4.006 7.243 323 1HB GLN 68 1HB GLN 68 -2.056 3.278 5.136 324 2HB GLN 68 2HB GLN 68 -0.663 2.264 5.495 325 1HG GLN 68 1HG GLN 68 -2.666 3.104 7.608 326 2HG GLN 68 2HG GLN 68 -2.888 1.667 6.594 327 1HE2 GLN 68 1HE2 GLN 68 -2.937 0.452 8.548 328 2HE2 GLN 68 2HE2 GLN 68 -1.464 0.166 9.443 329 H LEU 69 H LEU 69 -1.310 5.363 4.191 330 HA LEU 69 HA LEU 69 1.108 5.124 2.731 331 1HB LEU 69 1HB LEU 69 -1.074 7.206 2.401 332 2HB LEU 69 2HB LEU 69 0.152 6.755 1.191 333 HG LEU 69 HG LEU 69 -1.851 4.805 2.327 334 1HD1 LEU 69 1HD1 LEU 69 -3.076 6.532 1.147 335 2HD1 LEU 69 2HD1 LEU 69 -1.963 6.433 -0.229 336 3HD1 LEU 69 3HD1 LEU 69 -3.048 5.066 0.155 337 1HD2 LEU 69 1HD2 LEU 69 0.058 4.530 0.041 338 2HD2 LEU 69 2HD2 LEU 69 -0.040 3.621 1.581 339 3HD2 LEU 69 3HD2 LEU 69 -1.320 3.448 0.424 340 H ALA 70 H ALA 70 -0.153 7.941 4.605 341 HA ALA 70 HA ALA 70 2.200 9.524 4.159 342 1HB ALA 70 1HB ALA 70 0.194 9.736 6.435 343 2HB ALA 70 2HB ALA 70 1.265 10.994 5.765 344 3HB ALA 70 3HB ALA 70 -0.077 10.377 4.797 345 H SER 71 H SER 71 1.642 6.773 6.219 346 HA SER 71 HA SER 71 3.659 7.454 8.231 347 1HB SER 71 1HB SER 71 1.789 5.905 8.637 348 2HB SER 71 2HB SER 71 2.446 4.741 7.519 349 HG SER 71 HG SER 71 4.322 4.630 8.949 350 H MET 72 H MET 72 3.537 5.865 5.039 351 HA MET 72 HA MET 72 6.367 5.159 4.998 352 1HB MET 72 1HB MET 72 4.975 5.593 2.443 353 2HB MET 72 2HB MET 72 5.981 4.251 2.974 354 1HG MET 72 1HG MET 72 3.674 3.901 4.448 355 2HG MET 72 2HG MET 72 3.127 4.662 2.915 356 1HE MET 72 1HE MET 72 1.659 2.604 3.011 357 2HE MET 72 2HE MET 72 2.107 3.196 1.384 358 3HE MET 72 3HE MET 72 2.025 1.434 1.704 359 H GLY 73 H GLY 73 4.796 8.199 4.927 360 1HA GLY 73 1HA GLY 73 5.718 10.276 4.411 361 2HA GLY 73 2HA GLY 73 7.122 9.485 3.686 362 H LEU 74 H LEU 74 3.978 8.274 2.605 363 HA LEU 74 HA LEU 74 4.311 9.259 -0.038 364 1HB LEU 74 1HB LEU 74 2.860 7.449 0.103 365 2HB LEU 74 2HB LEU 74 1.890 8.228 1.378 366 HG LEU 74 HG LEU 74 2.010 9.797 -1.106 367 1HD1 LEU 74 1HD1 LEU 74 0.651 7.173 -1.352 368 2HD1 LEU 74 2HD1 LEU 74 0.503 8.622 -2.410 369 3HD1 LEU 74 3HD1 LEU 74 2.071 7.814 -2.249 370 1HD2 LEU 74 1HD2 LEU 74 -0.277 10.185 -0.631 371 2HD2 LEU 74 2HD2 LEU 74 -0.377 8.760 0.422 372 3HD2 LEU 74 3HD2 LEU 74 0.536 10.165 0.953 373 H ASN 75 H ASN 75 3.576 11.185 -0.959 374 HA ASN 75 HA ASN 75 2.873 13.424 0.810 375 1HB ASN 75 1HB ASN 75 4.417 13.466 -1.266 376 2HB ASN 75 2HB ASN 75 2.948 13.418 -2.235 377 1HD2 ASN 75 1HD2 ASN 75 4.809 15.616 -2.174 378 2HD2 ASN 75 2HD2 ASN 75 4.033 16.956 -1.341 379 H THR 76 H THR 76 0.663 13.062 1.575 380 HA THR 76 HA THR 76 -1.450 12.161 -0.134 381 HB THR 76 HB THR 76 -2.930 12.970 1.565 382 HG1 THR 76 1HG THR 76 -0.715 14.178 2.893 383 1HG2 THR 76 1HG2 THR 76 -1.971 11.787 3.520 384 2HG2 THR 76 2HG2 THR 76 -1.723 10.893 1.995 385 3HG2 THR 76 3HG2 THR 76 -0.386 11.772 2.761 386 H ALA 77 H ALA 77 0.055 15.386 0.120 387 HA ALA 77 HA ALA 77 -2.209 16.741 -1.098 388 1HB ALA 77 1HB ALA 77 0.678 17.647 -0.803 389 2HB ALA 77 2HB ALA 77 -0.723 18.663 -1.154 390 3HB ALA 77 3HB ALA 77 -0.578 17.879 0.435 391 H SER 78 H SER 78 0.437 14.727 -2.390 392 HA SER 78 HA SER 78 0.564 16.225 -4.884 393 1HB SER 78 1HB SER 78 1.519 13.447 -4.109 394 2HB SER 78 2HB SER 78 1.835 14.221 -5.684 395 HG SER 78 HG SER 78 3.270 15.413 -4.855 396 H VAL 79 H VAL 79 -1.783 14.037 -3.473 397 HA VAL 79 HA VAL 79 -2.808 13.335 -6.146 398 HB VAL 79 HB VAL 79 -3.286 12.018 -3.455 399 1HG1 VAL 79 1HG1 VAL 79 -4.937 11.487 -5.234 400 2HG1 VAL 79 2HG1 VAL 79 -3.601 11.026 -6.306 401 3HG1 VAL 79 3HG1 VAL 79 -3.925 10.079 -4.846 402 1HG2 VAL 79 1HG2 VAL 79 -0.955 11.805 -3.701 403 2HG2 VAL 79 2HG2 VAL 79 -1.617 10.275 -4.261 404 3HG2 VAL 79 3HG2 VAL 79 -1.091 11.502 -5.437 405 H ALA 80 H ALA 80 -4.187 14.979 -6.628 406 HA ALA 80 HA ALA 80 -6.190 16.104 -4.882 407 1HB ALA 80 1HB ALA 80 -6.341 15.431 -7.851 408 2HB ALA 80 2HB ALA 80 -7.421 16.512 -6.963 409 3HB ALA 80 3HB ALA 80 -5.711 16.957 -7.191 410 H GLY 81 H GLY 81 -7.714 14.930 -3.855 411 1HA GLY 81 1HA GLY 81 -9.447 13.290 -3.854 412 2HA GLY 81 2HA GLY 81 -8.528 12.269 -4.936 413 H MET 82 H MET 82 -6.130 13.210 -2.735 414 HA MET 82 HA MET 82 -6.807 10.861 -1.002 415 1HB MET 82 1HB MET 82 -4.672 10.771 -2.294 416 2HB MET 82 2HB MET 82 -4.088 12.118 -1.307 417 1HG MET 82 1HG MET 82 -4.360 10.882 0.719 418 2HG MET 82 2HG MET 82 -5.341 9.646 -0.081 419 1HE MET 82 1HE MET 82 -2.605 7.764 -2.226 420 2HE MET 82 2HE MET 82 -4.322 8.246 -2.110 421 3HE MET 82 3HE MET 82 -3.134 9.364 -2.789 422 H ASN 83 H ASN 83 -5.800 14.256 -0.961 423 HA ASN 83 HA ASN 83 -5.545 14.162 1.862 424 1HB ASN 83 1HB ASN 83 -4.832 16.427 1.664 425 2HB ASN 83 2HB ASN 83 -4.200 15.600 0.256 426 1HD2 ASN 83 1HD2 ASN 83 -6.592 17.919 1.454 427 2HD2 ASN 83 2HD2 ASN 83 -6.847 18.728 -0.090 428 H LEU 84 H LEU 84 -8.285 13.655 0.717 429 HA LEU 84 HA LEU 84 -9.808 15.434 2.478 430 1HB LEU 84 1HB LEU 84 -11.640 15.267 0.691 431 2HB LEU 84 2HB LEU 84 -10.363 16.487 0.597 432 HG LEU 84 HG LEU 84 -11.018 15.337 -1.536 433 1HD1 LEU 84 1HD1 LEU 84 -8.153 14.762 -1.442 434 2HD1 LEU 84 2HD1 LEU 84 -9.049 16.003 -2.343 435 3HD1 LEU 84 3HD1 LEU 84 -8.581 16.276 -0.640 436 1HD2 LEU 84 1HD2 LEU 84 -11.081 12.981 -0.450 437 2HD2 LEU 84 2HD2 LEU 84 -10.384 13.120 -2.036 438 3HD2 LEU 84 3HD2 LEU 84 -9.310 12.988 -0.636 439 H LEU 85 H LEU 85 -8.853 12.342 2.199 440 HA LEU 85 HA LEU 85 -11.466 11.135 2.919 441 1HB LEU 85 1HB LEU 85 -10.604 8.990 2.078 442 2HB LEU 85 2HB LEU 85 -11.044 10.251 0.920 443 HG LEU 85 HG LEU 85 -8.617 10.778 0.666 444 1HD1 LEU 85 1HD1 LEU 85 -7.005 9.085 1.679 445 2HD1 LEU 85 2HD1 LEU 85 -7.857 10.114 2.841 446 3HD1 LEU 85 3HD1 LEU 85 -8.397 8.438 2.591 447 1HD2 LEU 85 1HD2 LEU 85 -9.216 7.863 0.156 448 2HD2 LEU 85 2HD2 LEU 85 -9.485 9.252 -0.942 449 3HD2 LEU 85 3HD2 LEU 85 -7.836 8.828 -0.456 450 H ALA 86 H ALA 86 -10.899 8.772 3.916 451 HA ALA 86 HA ALA 86 -10.452 9.842 6.467 452 1HB ALA 86 1HB ALA 86 -10.934 6.893 5.934 453 2HB ALA 86 2HB ALA 86 -11.349 7.824 7.368 454 3HB ALA 86 3HB ALA 86 -12.217 8.118 5.858 455 H ASP 87 H ASP 87 -9.202 8.800 8.238 456 HA ASP 87 HA ASP 87 -6.464 8.039 7.447 457 1HB ASP 87 1HB ASP 87 -7.839 8.834 10.011 458 2HB ASP 87 2HB ASP 87 -6.277 7.988 10.070 459 HD2 ASP 87 HD ASP 87 -4.555 10.789 8.937 460 H ASP 88 H ASP 88 -9.421 6.316 7.996 461 HA ASP 88 HA ASP 88 -7.875 3.828 8.456 462 1HB ASP 88 1HB ASP 88 -9.688 3.081 9.716 463 2HB ASP 88 2HB ASP 88 -9.568 4.797 10.169 464 HD2 ASP 88 HD ASP 88 -13.002 3.693 8.943 465 H ALA 89 H ALA 89 -8.402 5.323 5.955 466 HA ALA 89 HA ALA 89 -10.738 4.272 4.739 467 1HB ALA 89 1HB ALA 89 -9.692 5.451 2.669 468 2HB ALA 89 2HB ALA 89 -9.895 6.463 4.089 469 3HB ALA 89 3HB ALA 89 -8.303 5.813 3.705 470 H CYS 90 H CYS 90 -10.876 2.996 2.798 471 HA CYS 90 HA CYS 90 -8.511 1.296 2.121 472 1HB CYS 90 1HB CYS 90 -11.356 1.295 1.060 473 2HB CYS 90 2HB CYS 90 -10.031 0.250 0.494 474 HG CYS 90 HG CYS 90 -11.747 -1.154 1.899 475 H VAL 91 H VAL 91 -7.230 3.197 1.509 476 HA VAL 91 HA VAL 91 -8.323 5.127 -0.378 477 HB VAL 91 HB VAL 91 -5.408 4.479 0.293 478 1HG1 VAL 91 1HG1 VAL 91 -6.641 6.923 -1.032 479 2HG1 VAL 91 2HG1 VAL 91 -4.951 6.754 -0.525 480 3HG1 VAL 91 3HG1 VAL 91 -5.581 5.720 -1.809 481 1HG2 VAL 91 1HG2 VAL 91 -7.300 6.591 1.436 482 2HG2 VAL 91 2HG2 VAL 91 -6.609 5.219 2.311 483 3HG2 VAL 91 3HG2 VAL 91 -5.550 6.508 1.749 484 HA PRO 92 HA PRO 92 -7.628 2.180 -3.698 485 1HB PRO 92 1HB PRO 92 -8.379 3.562 -5.872 486 2HB PRO 92 2HB PRO 92 -9.537 3.115 -4.587 487 1HG PRO 92 1HG PRO 92 -8.063 5.742 -4.955 488 2HG PRO 92 2HG PRO 92 -9.810 5.484 -4.656 489 1HD PRO 92 1HD PRO 92 -7.939 6.076 -2.690 490 2HD PRO 92 2HD PRO 92 -9.440 5.210 -2.341 491 H LEU 93 H LEU 93 -5.388 2.675 -2.758 492 HA LEU 93 HA LEU 93 -3.715 4.709 -3.508 493 1HB LEU 93 1HB LEU 93 -3.379 3.147 -1.676 494 2HB LEU 93 2HB LEU 93 -3.062 1.820 -2.794 495 HG LEU 93 HG LEU 93 -1.135 2.916 -1.563 496 1HD1 LEU 93 1HD1 LEU 93 -0.803 1.314 -3.312 497 2HD1 LEU 93 2HD1 LEU 93 -0.737 2.633 -4.513 498 3HD1 LEU 93 3HD1 LEU 93 0.472 2.528 -3.205 499 1HD2 LEU 93 1HD2 LEU 93 -0.127 4.910 -2.319 500 2HD2 LEU 93 2HD2 LEU 93 -1.161 5.001 -3.754 501 3HD2 LEU 93 3HD2 LEU 93 -1.847 5.298 -2.148 502 H THR 94 H THR 94 -4.208 1.609 -5.235 503 HA THR 94 HA THR 94 -2.045 2.141 -7.100 504 HB THR 94 HB THR 94 -2.871 -0.133 -7.938 505 HG1 THR 94 1HG THR 94 -4.560 -1.036 -6.897 506 1HG2 THR 94 1HG2 THR 94 -2.277 -0.000 -4.951 507 2HG2 THR 94 2HG2 THR 94 -1.944 -1.331 -6.076 508 3HG2 THR 94 3HG2 THR 94 -1.060 0.190 -6.227 509 H THR 95 H THR 95 -5.194 3.379 -6.985 510 HA THR 95 HA THR 95 -5.295 3.586 -9.968 511 HB THR 95 HB THR 95 -7.547 3.733 -7.928 512 HG1 THR 95 1HG THR 95 -6.599 1.649 -9.583 513 1HG2 THR 95 1HG2 THR 95 -7.566 3.600 -10.954 514 2HG2 THR 95 2HG2 THR 95 -9.008 3.402 -9.945 515 3HG2 THR 95 3HG2 THR 95 -8.142 4.946 -9.943 516 H MET 96 H MET 96 -5.647 5.286 -6.837 517 HA MET 96 HA MET 96 -5.801 7.914 -8.067 518 1HB MET 96 1HB MET 96 -5.931 6.705 -5.380 519 2HB MET 96 2HB MET 96 -5.017 8.231 -5.413 520 1HG MET 96 1HG MET 96 -6.820 9.431 -6.342 521 2HG MET 96 2HG MET 96 -7.715 7.966 -6.763 522 1HE MET 96 1HE MET 96 -6.100 8.013 -3.185 523 2HE MET 96 2HE MET 96 -6.077 9.731 -3.698 524 3HE MET 96 3HE MET 96 -7.117 9.211 -2.365 525 H VAL 97 H VAL 97 -3.149 5.700 -7.171 526 HA VAL 97 HA VAL 97 -1.335 7.779 -8.217 527 HB VAL 97 HB VAL 97 -0.551 5.635 -6.194 528 1HG1 VAL 97 1HG1 VAL 97 1.307 6.156 -7.528 529 2HG1 VAL 97 2HG1 VAL 97 0.896 7.854 -7.668 530 3HG1 VAL 97 3HG1 VAL 97 1.503 7.221 -6.130 531 1HG2 VAL 97 1HG2 VAL 97 -1.181 8.577 -5.797 532 2HG2 VAL 97 2HG2 VAL 97 -1.925 7.190 -4.980 533 3HG2 VAL 97 3HG2 VAL 97 -0.243 7.606 -4.635 534 H GLN 98 H GLN 98 -0.873 7.203 -10.210 535 HA GLN 98 HA GLN 98 -1.167 4.481 -11.202 536 1HB GLN 98 1HB GLN 98 -1.416 6.869 -12.394 537 2HB GLN 98 2HB GLN 98 0.330 6.705 -12.623 538 1HG GLN 98 1HG GLN 98 -0.026 4.519 -13.728 539 2HG GLN 98 2HG GLN 98 -1.774 4.638 -13.432 540 1HE2 GLN 98 1HE2 GLN 98 -0.716 4.214 -15.922 541 2HE2 GLN 98 2HE2 GLN 98 -1.033 5.598 -16.966 542 H ASP 99 H ASP 99 0.745 3.402 -12.179 543 HA ASP 99 HA ASP 99 2.821 2.569 -12.279 544 1HB ASP 99 1HB ASP 99 3.501 5.024 -12.389 545 2HB ASP 99 2HB ASP 99 3.934 4.887 -10.678 546 HD2 ASP 99 HD ASP 99 6.576 3.805 -13.236 547 H ALA 100 H ALA 100 1.731 3.765 -9.191 548 HA ALA 100 HA ALA 100 3.074 2.262 -7.300 549 1HB ALA 100 1HB ALA 100 1.182 2.639 -5.893 550 2HB ALA 100 2HB ALA 100 1.379 4.055 -6.936 551 3HB ALA 100 3HB ALA 100 0.106 2.878 -7.291 552 H THR 101 H THR 101 2.400 0.330 -6.144 553 HA THR 101 HA THR 101 0.430 -1.482 -7.291 554 HB THR 101 HB THR 101 2.171 -3.396 -7.270 555 HG1 THR 101 1HG THR 101 4.088 -1.550 -8.062 556 1HG2 THR 101 1HG2 THR 101 1.143 -2.350 -9.335 557 2HG2 THR 101 2HG2 THR 101 2.607 -1.379 -9.498 558 3HG2 THR 101 3HG2 THR 101 2.697 -3.144 -9.577 559 H ALA 102 H ALA 102 0.139 -3.390 -5.863 560 HA ALA 102 HA ALA 102 1.086 -3.107 -3.101 561 1HB ALA 102 1HB ALA 102 -1.884 -3.238 -3.817 562 2HB ALA 102 2HB ALA 102 -1.178 -3.195 -2.200 563 3HB ALA 102 3HB ALA 102 -1.048 -1.780 -3.253 564 H HIS 103 H HIS 103 2.240 -4.889 -4.394 565 HA HIS 103 HA HIS 103 0.867 -7.394 -4.981 566 1HB HIS 103 1HB HIS 103 2.790 -6.385 -6.192 567 2HB HIS 103 2HB HIS 103 3.796 -6.519 -4.760 568 HD1 HIS 103 1HD HIS 103 4.449 -7.836 -7.612 569 HD2 HIS 103 2HD HIS 103 2.990 -9.733 -4.148 570 HE1 HIS 103 1HE HIS 103 4.993 -10.293 -7.836 571 HE2 HIS 103 2HE HIS 103 4.005 -11.499 -5.791 572 H LEU 104 H LEU 104 0.185 -8.628 -3.229 573 HA LEU 104 HA LEU 104 1.591 -8.763 -0.621 574 1HB LEU 104 1HB LEU 104 -0.600 -8.942 -0.278 575 2HB LEU 104 2HB LEU 104 -0.936 -9.841 -1.753 576 HG LEU 104 HG LEU 104 0.212 -11.863 -0.633 577 1HD1 LEU 104 1HD1 LEU 104 0.516 -9.775 1.486 578 2HD1 LEU 104 2HD1 LEU 104 -0.010 -11.407 2.015 579 3HD1 LEU 104 3HD1 LEU 104 1.461 -11.221 1.093 580 1HD2 LEU 104 1HD2 LEU 104 -2.076 -11.898 -0.913 581 2HD2 LEU 104 2HD2 LEU 104 -1.806 -12.284 0.795 582 3HD2 LEU 104 3HD2 LEU 104 -2.375 -10.656 0.300 583 H ASP 105 H ASP 105 3.648 -9.562 -1.049 584 HA ASP 105 HA ASP 105 4.042 -12.087 -2.562 585 1HB ASP 105 1HB ASP 105 5.859 -10.274 -2.404 586 2HB ASP 105 2HB ASP 105 6.030 -10.742 -0.689 587 HD2 ASP 105 HD ASP 105 6.990 -14.060 -1.985 588 H VAL 106 H VAL 106 2.518 -13.432 -1.322 589 HA VAL 106 HA VAL 106 2.762 -13.563 1.528 590 HB VAL 106 HB VAL 106 0.870 -14.297 -0.144 591 1HG1 VAL 106 1HG1 VAL 106 0.697 -16.670 -0.517 592 2HG1 VAL 106 2HG1 VAL 106 2.140 -16.027 -1.330 593 3HG1 VAL 106 3HG1 VAL 106 2.305 -16.957 0.175 594 1HG2 VAL 106 1HG2 VAL 106 0.645 -14.228 2.207 595 2HG2 VAL 106 2HG2 VAL 106 -0.038 -15.749 1.610 596 3HG2 VAL 106 3HG2 VAL 106 1.558 -15.753 2.408 597 H GLY 107 H GLY 107 4.668 -14.906 -1.110 598 1HA GLY 107 1HA GLY 107 5.566 -17.264 0.216 599 2HA GLY 107 2HA GLY 107 6.270 -16.518 -1.233 600 H GLN 108 H GLN 108 6.942 -13.988 -0.209 601 HA GLN 108 HA GLN 108 9.113 -14.609 1.693 602 1HB GLN 108 1HB GLN 108 9.341 -13.344 -0.555 603 2HB GLN 108 2HB GLN 108 8.613 -11.955 0.275 604 1HG GLN 108 1HG GLN 108 11.017 -11.753 0.266 605 2HG GLN 108 2HG GLN 108 10.475 -11.980 1.918 606 1HE2 GLN 108 1HE2 GLN 108 11.221 -13.928 3.069 607 2HE2 GLN 108 2HE2 GLN 108 12.395 -14.981 2.314 608 H GLN 109 H GLN 109 5.948 -13.552 1.879 609 HA GLN 109 HA GLN 109 4.683 -12.289 3.186 610 1HB GLN 109 1HB GLN 109 6.726 -12.869 5.336 611 2HB GLN 109 2HB GLN 109 5.113 -12.148 5.570 612 1HG GLN 109 1HG GLN 109 4.230 -14.291 4.375 613 2HG GLN 109 2HG GLN 109 5.847 -14.961 4.693 614 1HE2 GLN 109 1HE2 GLN 109 2.781 -14.001 6.113 615 2HE2 GLN 109 2HE2 GLN 109 3.227 -14.362 7.784 616 H ARG 110 H ARG 110 5.874 -10.843 1.463 617 HA ARG 110 HA ARG 110 6.707 -8.364 2.854 618 1HB ARG 110 1HB ARG 110 8.726 -9.577 2.152 619 2HB ARG 110 2HB ARG 110 8.135 -9.539 0.480 620 1HG ARG 110 1HG ARG 110 7.878 -6.892 1.264 621 2HG ARG 110 2HG ARG 110 9.313 -7.365 2.170 622 1HD ARG 110 1HD ARG 110 9.282 -8.224 -0.681 623 2HD ARG 110 2HD ARG 110 9.257 -6.461 -0.408 624 HE ARG 110 HE ARG 110 11.283 -7.988 1.059 625 1HH1 ARG 110 2HH2 ARG 110 10.594 -6.428 -2.024 626 2HH1 ARG 110 1HH2 ARG 110 12.250 -6.171 -2.430 627 1HH2 ARG 110 2HH1 ARG 110 13.406 -7.257 0.810 628 2HH2 ARG 110 1HH1 ARG 110 13.929 -6.357 -0.547 629 H LEU 111 H LEU 111 5.161 -6.906 2.437 630 HA LEU 111 HA LEU 111 3.558 -7.267 0.021 631 1HB LEU 111 1HB LEU 111 2.272 -6.782 1.895 632 2HB LEU 111 2HB LEU 111 3.342 -5.490 2.435 633 HG LEU 111 HG LEU 111 2.575 -4.170 0.444 634 1HD1 LEU 111 1HD1 LEU 111 0.679 -6.475 0.019 635 2HD1 LEU 111 2HD1 LEU 111 0.421 -4.830 -0.632 636 3HD1 LEU 111 3HD1 LEU 111 1.844 -5.726 -1.091 637 1HD2 LEU 111 1HD2 LEU 111 1.573 -3.364 2.287 638 2HD2 LEU 111 2HD2 LEU 111 0.109 -3.948 1.505 639 3HD2 LEU 111 3HD2 LEU 111 0.905 -4.909 2.795 640 H ASN 112 H ASN 112 4.822 -6.767 -1.664 641 HA ASN 112 HA ASN 112 6.824 -4.638 -1.705 642 1HB ASN 112 1HB ASN 112 5.798 -6.573 -3.795 643 2HB ASN 112 2HB ASN 112 6.947 -5.257 -4.161 644 1HD2 ASN 112 1HD2 ASN 112 6.538 -8.392 -2.542 645 2HD2 ASN 112 2HD2 ASN 112 8.229 -8.749 -2.527 646 H LEU 113 H LEU 113 5.648 -2.908 -1.183 647 HA LEU 113 HA LEU 113 3.423 -1.880 -2.790 648 1HB LEU 113 1HB LEU 113 4.122 -1.883 -0.090 649 2HB LEU 113 2HB LEU 113 4.653 -0.282 -0.571 650 HG LEU 113 HG LEU 113 2.440 -0.275 0.401 651 1HD1 LEU 113 1HD1 LEU 113 2.890 1.445 -1.254 652 2HD1 LEU 113 2HD1 LEU 113 2.284 0.407 -2.551 653 3HD1 LEU 113 3HD1 LEU 113 1.188 0.976 -1.278 654 1HD2 LEU 113 1HD2 LEU 113 1.985 -2.626 -1.188 655 2HD2 LEU 113 2HD2 LEU 113 1.011 -1.929 0.101 656 3HD2 LEU 113 3HD2 LEU 113 0.755 -1.416 -1.579 657 H THR 114 H THR 114 3.800 -0.116 -4.219 658 HA THR 114 HA THR 114 6.553 1.037 -4.284 659 HB THR 114 HB THR 114 4.988 -0.014 -6.675 660 HG1 THR 114 1HG THR 114 6.232 -1.727 -6.633 661 1HG2 THR 114 1HG2 THR 114 7.779 1.174 -6.485 662 2HG2 THR 114 2HG2 THR 114 7.079 0.441 -7.925 663 3HG2 THR 114 3HG2 THR 114 6.367 1.919 -7.282 664 H ILE 115 H ILE 115 6.598 3.179 -5.071 665 HA ILE 115 HA ILE 115 4.146 4.423 -6.005 666 HB ILE 115 HB ILE 115 5.467 5.046 -3.350 667 1HG1 ILE 115 1HG1 ILE 115 3.385 3.659 -3.480 668 2HG1 ILE 115 2HG1 ILE 115 3.231 5.124 -2.504 669 1HG2 ILE 115 1HG2 ILE 115 5.584 7.192 -4.458 670 2HG2 ILE 115 2HG2 ILE 115 3.860 7.136 -4.833 671 3HG2 ILE 115 3HG2 ILE 115 4.399 7.213 -3.147 672 1HD1 ILE 115 1HD1 ILE 115 1.801 6.172 -3.987 673 2HD1 ILE 115 2HD1 ILE 115 2.308 5.164 -5.343 674 3HD1 ILE 115 3HD1 ILE 115 1.291 4.475 -4.079 675 HA PRO 116 HA PRO 116 7.314 6.088 -8.496 676 1HB PRO 116 1HB PRO 116 5.997 8.162 -9.726 677 2HB PRO 116 2HB PRO 116 5.726 6.453 -10.150 678 1HG PRO 116 1HG PRO 116 4.084 8.219 -8.356 679 2HG PRO 116 2HG PRO 116 3.516 7.052 -9.585 680 1HD PRO 116 1HD PRO 116 3.643 6.543 -6.866 681 2HD PRO 116 2HD PRO 116 3.808 5.245 -8.051 682 H GLN 117 H GLN 117 8.884 7.685 -8.258 683 HA GLN 117 HA GLN 117 8.917 8.705 -5.623 684 1HB GLN 117 1HB GLN 117 10.804 9.137 -7.947 685 2HB GLN 117 2HB GLN 117 11.159 9.687 -6.297 686 1HG GLN 117 1HG GLN 117 10.669 6.811 -7.166 687 2HG GLN 117 2HG GLN 117 12.241 7.536 -6.759 688 1HE2 GLN 117 1HE2 GLN 117 9.291 6.073 -5.480 689 2HE2 GLN 117 2HE2 GLN 117 9.843 6.058 -3.837 690 H ALA 118 H ALA 118 7.465 10.315 -8.220 691 HA ALA 118 HA ALA 118 7.840 13.035 -7.226 692 1HB ALA 118 1HB ALA 118 7.129 12.632 -9.539 693 2HB ALA 118 2HB ALA 118 5.703 11.735 -8.970 694 3HB ALA 118 3HB ALA 118 5.841 13.472 -8.651 695 H PHE 119 H PHE 119 5.575 10.315 -6.587 696 HA PHE 119 HA PHE 119 3.658 12.024 -5.153 697 1HB PHE 119 1HB PHE 119 3.950 9.153 -6.028 698 2HB PHE 119 2HB PHE 119 2.707 9.543 -4.855 699 HD1 PHE 119 1HD PHE 119 3.903 10.605 -8.262 700 HD2 PHE 119 2HD PHE 119 0.582 10.059 -5.617 701 HE1 PHE 119 1HE PHE 119 2.390 10.904 -10.136 702 HE2 PHE 119 2HE PHE 119 -0.994 10.395 -7.529 703 HZ PHE 119 HZ PHE 119 -0.093 10.747 -9.822 704 H MET 120 H MET 120 6.312 11.979 -4.016 705 HA MET 120 HA MET 120 6.002 10.533 -1.425 706 1HB MET 120 1HB MET 120 8.337 10.623 -3.371 707 2HB MET 120 2HB MET 120 8.492 10.076 -1.692 708 1HG MET 120 1HG MET 120 6.264 8.750 -2.947 709 2HG MET 120 2HG MET 120 7.705 8.553 -3.937 710 1HE MET 120 1HE MET 120 7.026 7.082 0.398 711 2HE MET 120 2HE MET 120 6.997 8.795 -0.043 712 3HE MET 120 3HE MET 120 5.786 7.678 -0.721 713 H SER 121 H SER 121 6.046 11.982 0.116 714 HA SER 121 HA SER 121 6.596 14.783 -0.376 715 1HB SER 121 1HB SER 121 4.943 13.997 1.257 716 2HB SER 121 2HB SER 121 6.227 13.291 2.240 717 HG SER 121 HG SER 121 6.930 15.269 2.787 718 H ASN 122 H ASN 122 8.601 15.098 -1.087 719 HA ASN 122 HA ASN 122 10.772 15.133 -1.424 720 1HB ASN 122 1HB ASN 122 11.057 15.020 1.588 721 2HB ASN 122 2HB ASN 122 12.358 15.391 0.426 722 1HD2 ASN 122 1HD2 ASN 122 10.346 16.898 2.548 723 2HD2 ASN 122 2HD2 ASN 122 10.040 18.380 1.642 724 H ARG 123 H ARG 123 11.192 12.947 1.395 725 HA ARG 123 HA ARG 123 11.600 10.659 -0.394 726 1HB ARG 123 1HB ARG 123 13.797 12.154 0.685 727 2HB ARG 123 2HB ARG 123 13.687 10.500 1.340 728 1HG ARG 123 1HG ARG 123 13.465 11.137 -1.630 729 2HG ARG 123 2HG ARG 123 15.029 10.785 -0.866 730 1HD ARG 123 1HD ARG 123 14.501 8.542 -0.487 731 2HD ARG 123 2HD ARG 123 12.747 8.818 -0.580 732 HE ARG 123 HE ARG 123 12.792 8.698 -2.871 733 1HH1 ARG 123 2HH2 ARG 123 16.052 8.002 -1.731 734 2HH1 ARG 123 1HH2 ARG 123 16.796 8.171 -3.279 735 1HH2 ARG 123 2HH1 ARG 123 13.600 8.364 -4.857 736 2HH2 ARG 123 1HH1 ARG 123 15.303 8.188 -5.180 737 H ALA 124 H ALA 124 10.924 8.850 0.546 738 HA ALA 124 HA ALA 124 9.982 8.715 3.281 739 1HB ALA 124 1HB ALA 124 9.683 6.313 2.681 740 2HB ALA 124 2HB ALA 124 8.943 7.397 1.486 741 3HB ALA 124 3HB ALA 124 10.477 6.598 1.118 742 H ARG 125 H ARG 125 11.888 9.286 4.550 743 HA ARG 125 HA ARG 125 14.166 7.468 4.562 744 1HB ARG 125 1HB ARG 125 14.304 10.224 3.414 745 2HB ARG 125 2HB ARG 125 15.608 9.697 4.515 746 1HG ARG 125 1HG ARG 125 16.127 7.799 3.120 747 2HG ARG 125 2HG ARG 125 14.686 8.099 2.105 748 1HD ARG 125 1HD ARG 125 16.843 8.806 1.055 749 2HD ARG 125 2HD ARG 125 15.543 10.015 1.169 750 HE ARG 125 HE ARG 125 17.209 10.101 3.464 751 1HH1 ARG 125 2HH2 ARG 125 17.557 11.103 0.035 752 2HH1 ARG 125 1HH2 ARG 125 19.027 11.962 0.390 753 1HH2 ARG 125 2HH1 ARG 125 18.788 11.626 3.870 754 2HH2 ARG 125 1HH1 ARG 125 19.700 12.292 2.543 Start of MODEL 17 1 1H GLY 25 H GLY 25 -5.929 -14.030 -14.156 2 1HA GLY 25 1HA GLY 25 -5.038 -12.584 -12.359 3 2HA GLY 25 2HA GLY 25 -6.180 -11.359 -12.897 4 H GLN 26 H GLN 26 -6.167 -12.187 -10.327 5 HA GLN 26 HA GLN 26 -7.241 -13.048 -8.570 6 1HB GLN 26 1HB GLN 26 -9.357 -12.283 -9.535 7 2HB GLN 26 2HB GLN 26 -9.496 -13.824 -10.430 8 1HG GLN 26 1HG GLN 26 -11.030 -13.863 -8.694 9 2HG GLN 26 2HG GLN 26 -9.795 -15.042 -8.336 10 1HE2 GLN 26 1HE2 GLN 26 -7.785 -13.346 -6.826 11 2HE2 GLN 26 2HE2 GLN 26 -8.694 -12.985 -5.416 12 H GLU 27 H GLU 27 -8.059 -15.425 -7.902 13 HA GLU 27 HA GLU 27 -6.949 -17.657 -7.619 14 1HB GLU 27 1HB GLU 27 -4.533 -17.642 -7.964 15 2HB GLU 27 2HB GLU 27 -5.265 -17.190 -9.481 16 1HG GLU 27 1HG GLU 27 -4.732 -14.757 -8.922 17 2HG GLU 27 2HG GLU 27 -3.986 -15.285 -7.396 18 HE2 GLU 27 HE GLU 27 -1.742 -16.768 -10.232 19 H LEU 28 H LEU 28 -7.656 -15.195 -6.044 20 HA LEU 28 HA LEU 28 -6.323 -16.230 -3.781 21 1HB LEU 28 1HB LEU 28 -4.820 -14.242 -5.082 22 2HB LEU 28 2HB LEU 28 -5.416 -13.450 -3.638 23 HG LEU 28 HG LEU 28 -3.854 -16.094 -3.724 24 1HD1 LEU 28 1HD1 LEU 28 -2.343 -14.297 -4.169 25 2HD1 LEU 28 2HD1 LEU 28 -3.000 -13.313 -2.836 26 3HD1 LEU 28 3HD1 LEU 28 -2.112 -14.804 -2.501 27 1HD2 LEU 28 1HD2 LEU 28 -5.326 -16.186 -1.928 28 2HD2 LEU 28 2HD2 LEU 28 -3.758 -15.767 -1.255 29 3HD2 LEU 28 3HD2 LEU 28 -4.994 -14.476 -1.465 30 HA PRO 29 HA PRO 29 -10.342 -14.365 -2.811 31 1HB PRO 29 1HB PRO 29 -11.096 -15.974 -0.738 32 2HB PRO 29 2HB PRO 29 -11.087 -16.536 -2.437 33 1HG PRO 29 1HG PRO 29 -8.975 -16.971 -0.320 34 2HG PRO 29 2HG PRO 29 -9.664 -18.181 -1.449 35 1HD PRO 29 1HD PRO 29 -7.280 -16.866 -1.868 36 2HD PRO 29 2HD PRO 29 -8.282 -17.390 -3.226 37 HA PRO 30 HA PRO 30 -9.001 -11.457 0.065 38 1HB PRO 30 1HB PRO 30 -11.198 -10.221 0.997 39 2HB PRO 30 2HB PRO 30 -10.694 -10.195 -0.723 40 1HG PRO 30 1HG PRO 30 -12.709 -12.046 0.580 41 2HG PRO 30 2HG PRO 30 -12.910 -11.043 -0.900 42 1HD PRO 30 1HD PRO 30 -12.188 -13.682 -1.017 43 2HD PRO 30 2HD PRO 30 -11.508 -12.492 -2.159 44 H GLY 31 H GLY 31 -9.102 -10.513 2.403 45 1HA GLY 31 1HA GLY 31 -10.059 -11.761 4.658 46 2HA GLY 31 2HA GLY 31 -8.649 -12.732 4.186 47 H THR 32 H THR 32 -7.113 -12.099 5.740 48 HA THR 32 HA THR 32 -6.009 -9.429 5.305 49 HB THR 32 HB THR 32 -7.577 -9.147 7.188 50 HG1 THR 32 1HG THR 32 -6.263 -7.809 7.959 51 1HG2 THR 32 1HG2 THR 32 -7.167 -10.128 9.335 52 2HG2 THR 32 2HG2 THR 32 -7.411 -11.427 8.171 53 3HG2 THR 32 3HG2 THR 32 -5.758 -11.040 8.703 54 H TYR 33 H TYR 33 -3.768 -9.465 5.330 55 HA TYR 33 HA TYR 33 -2.525 -12.129 5.838 56 1HB TYR 33 1HB TYR 33 -1.007 -11.619 3.908 57 2HB TYR 33 2HB TYR 33 -2.650 -12.193 3.586 58 HD1 TYR 33 1HD TYR 33 -0.792 -8.875 3.753 59 HD2 TYR 33 2HD TYR 33 -3.437 -11.394 1.551 60 HE1 TYR 33 1HE TYR 33 -0.943 -7.198 1.986 61 HE2 TYR 33 2HE TYR 33 -3.696 -9.624 -0.143 62 HH TYR 33 HH TYR 33 -2.628 -7.589 -1.029 63 H ARG 34 H ARG 34 -0.725 -12.176 7.031 64 HA ARG 34 HA ARG 34 0.124 -9.662 8.295 65 1HB ARG 34 1HB ARG 34 -0.524 -11.708 9.575 66 2HB ARG 34 2HB ARG 34 0.904 -12.523 8.932 67 1HG ARG 34 1HG ARG 34 0.885 -10.020 10.668 68 2HG ARG 34 2HG ARG 34 1.244 -11.700 11.185 69 1HD ARG 34 1HD ARG 34 3.149 -11.584 9.436 70 2HD ARG 34 2HD ARG 34 2.950 -9.826 9.568 71 HE ARG 34 HE ARG 34 3.064 -10.814 12.182 72 1HH1 ARG 34 2HH2 ARG 34 5.363 -10.721 9.342 73 2HH1 ARG 34 1HH2 ARG 34 6.694 -10.464 10.383 74 1HH2 ARG 34 2HH1 ARG 34 4.989 -10.598 13.438 75 2HH2 ARG 34 1HH1 ARG 34 6.529 -10.463 12.643 76 H VAL 35 H VAL 35 1.739 -8.528 7.353 77 HA VAL 35 HA VAL 35 4.077 -9.836 6.133 78 HB VAL 35 HB VAL 35 3.562 -8.733 3.967 79 1HG1 VAL 35 1HG1 VAL 35 2.821 -11.145 4.516 80 2HG1 VAL 35 2HG1 VAL 35 1.169 -10.490 4.576 81 3HG1 VAL 35 3HG1 VAL 35 2.151 -10.377 3.111 82 1HG2 VAL 35 1HG2 VAL 35 2.101 -6.912 4.743 83 2HG2 VAL 35 2HG2 VAL 35 1.216 -7.888 3.561 84 3HG2 VAL 35 3HG2 VAL 35 0.865 -8.066 5.266 85 H ASP 36 H ASP 36 5.482 -8.255 5.119 86 HA ASP 36 HA ASP 36 5.659 -5.871 6.897 87 1HB ASP 36 1HB ASP 36 7.988 -6.874 5.283 88 2HB ASP 36 2HB ASP 36 7.837 -5.734 6.678 89 HD2 ASP 36 HD ASP 36 9.059 -9.061 7.781 90 H ILE 37 H ILE 37 5.005 -4.093 5.961 91 HA ILE 37 HA ILE 37 4.611 -3.769 3.100 92 HB ILE 37 HB ILE 37 4.655 -1.756 5.425 93 1HG1 ILE 37 1HG1 ILE 37 2.096 -1.735 4.687 94 2HG1 ILE 37 2HG1 ILE 37 2.446 -3.382 4.159 95 1HG2 ILE 37 1HG2 ILE 37 3.544 -0.177 3.904 96 2HG2 ILE 37 2HG2 ILE 37 5.131 -0.607 3.294 97 3HG2 ILE 37 3HG2 ILE 37 3.684 -1.342 2.560 98 1HD1 ILE 37 1HD1 ILE 37 2.881 -2.348 6.986 99 2HD1 ILE 37 2HD1 ILE 37 1.455 -3.240 6.438 100 3HD1 ILE 37 3HD1 ILE 37 3.031 -4.040 6.444 101 H TYR 38 H TYR 38 6.148 -3.431 1.679 102 HA TYR 38 HA TYR 38 8.661 -2.124 2.539 103 1HB TYR 38 1HB TYR 38 8.270 -4.609 1.001 104 2HB TYR 38 2HB TYR 38 9.373 -3.428 0.257 105 HD1 TYR 38 1HD TYR 38 8.818 -5.451 3.363 106 HD2 TYR 38 2HD TYR 38 11.494 -2.973 1.073 107 HE1 TYR 38 1HE TYR 38 10.702 -6.124 4.834 108 HE2 TYR 38 2HE TYR 38 13.351 -3.562 2.547 109 HH TYR 38 HH TYR 38 14.049 -4.962 4.192 110 H LEU 39 H LEU 39 8.122 -0.083 1.933 111 HA LEU 39 HA LEU 39 6.871 0.411 -0.728 112 1HB LEU 39 1HB LEU 39 5.959 1.710 1.178 113 2HB LEU 39 2HB LEU 39 7.590 2.352 1.465 114 HG LEU 39 HG LEU 39 7.513 3.144 -1.005 115 1HD1 LEU 39 1HD1 LEU 39 5.531 1.806 -1.724 116 2HD1 LEU 39 2HD1 LEU 39 4.538 2.778 -0.618 117 3HD1 LEU 39 3HD1 LEU 39 5.358 3.534 -1.995 118 1HD2 LEU 39 1HD2 LEU 39 6.353 5.169 -0.512 119 2HD2 LEU 39 2HD2 LEU 39 5.540 4.417 0.873 120 3HD2 LEU 39 3HD2 LEU 39 7.307 4.672 0.904 121 H ASN 40 H ASN 40 8.085 0.541 -2.322 122 HA ASN 40 HA ASN 40 9.927 0.732 -3.606 123 1HB ASN 40 1HB ASN 40 10.895 2.990 -3.684 124 2HB ASN 40 2HB ASN 40 9.169 2.863 -3.937 125 1HD2 ASN 40 1HD2 ASN 40 8.405 4.912 -3.314 126 2HD2 ASN 40 2HD2 ASN 40 8.803 5.614 -1.775 127 H ASN 41 H ASN 41 10.589 -0.974 -2.074 128 HA ASN 41 HA ASN 41 12.215 -2.191 -1.136 129 1HB ASN 41 1HB ASN 41 14.106 -0.181 -2.384 130 2HB ASN 41 2HB ASN 41 14.525 -1.807 -1.788 131 1HD2 ASN 41 1HD2 ASN 41 13.568 0.013 -4.521 132 2HD2 ASN 41 2HD2 ASN 41 13.086 -1.317 -5.559 133 H GLY 42 H GLY 42 10.964 -0.257 0.626 134 1HA GLY 42 1HA GLY 42 13.101 -0.206 2.694 135 2HA GLY 42 2HA GLY 42 12.098 1.224 2.377 136 H TYR 43 H TYR 43 12.363 -1.235 4.450 137 HA TYR 43 HA TYR 43 9.717 -2.389 4.870 138 1HB TYR 43 1HB TYR 43 11.711 -3.313 5.920 139 2HB TYR 43 2HB TYR 43 12.146 -1.752 6.634 140 HD1 TYR 43 1HD TYR 43 11.661 -1.504 8.945 141 HD2 TYR 43 2HD TYR 43 9.166 -4.006 6.478 142 HE1 TYR 43 1HE TYR 43 10.265 -2.051 10.921 143 HE2 TYR 43 2HE TYR 43 7.787 -4.558 8.440 144 HH TYR 43 HH TYR 43 7.874 -4.630 10.708 145 H MET 44 H MET 44 7.954 -1.192 5.525 146 HA MET 44 HA MET 44 8.399 1.421 6.918 147 1HB MET 44 1HB MET 44 6.056 0.473 5.254 148 2HB MET 44 2HB MET 44 6.158 2.035 6.096 149 1HG MET 44 1HG MET 44 8.084 1.052 3.965 150 2HG MET 44 2HG MET 44 6.767 2.183 3.687 151 1HE MET 44 1HE MET 44 8.930 3.745 2.506 152 2HE MET 44 2HE MET 44 10.410 3.995 3.447 153 3HE MET 44 3HE MET 44 9.912 2.350 3.013 154 H ALA 45 H ALA 45 6.386 -1.611 7.092 155 HA ALA 45 HA ALA 45 6.422 -1.501 9.935 156 1HB ALA 45 1HB ALA 45 4.630 0.153 9.711 157 2HB ALA 45 2HB ALA 45 3.739 -0.915 8.593 158 3HB ALA 45 3HB ALA 45 3.951 -1.361 10.298 159 H THR 46 H THR 46 5.140 -3.362 10.820 160 HA THR 46 HA THR 46 4.757 -5.614 8.907 161 HB THR 46 HB THR 46 5.859 -5.606 11.751 162 HG1 THR 46 1HG THR 46 7.064 -6.787 9.485 163 1HG2 THR 46 1HG2 THR 46 5.122 -7.968 9.980 164 2HG2 THR 46 2HG2 THR 46 6.092 -8.057 11.475 165 3HG2 THR 46 3HG2 THR 46 4.404 -7.548 11.555 166 H ARG 47 H ARG 47 2.566 -6.195 8.927 167 HA ARG 47 HA ARG 47 1.164 -6.368 11.408 168 1HB ARG 47 1HB ARG 47 -0.712 -4.817 10.037 169 2HB ARG 47 2HB ARG 47 0.091 -4.425 11.560 170 1HG ARG 47 1HG ARG 47 1.506 -2.879 10.526 171 2HG ARG 47 2HG ARG 47 1.382 -3.642 8.922 172 1HD ARG 47 1HD ARG 47 0.161 -1.542 8.956 173 2HD ARG 47 2HD ARG 47 -0.934 -2.913 8.694 174 HE ARG 47 HE ARG 47 -1.843 -2.635 10.827 175 1HH1 ARG 47 2HH2 ARG 47 0.007 0.201 9.927 176 2HH1 ARG 47 1HH2 ARG 47 -0.031 0.929 11.491 177 1HH2 ARG 47 2HH1 ARG 47 -1.974 -1.662 12.918 178 2HH2 ARG 47 1HH1 ARG 47 -0.966 -0.304 13.300 179 H ASP 48 H ASP 48 -1.246 -6.663 10.767 180 HA ASP 48 HA ASP 48 -1.500 -8.597 8.568 181 1HB ASP 48 1HB ASP 48 -3.690 -9.079 9.496 182 2HB ASP 48 2HB ASP 48 -2.404 -9.334 10.703 183 HD2 ASP 48 HD ASP 48 -3.480 -6.552 12.577 184 H VAL 49 H VAL 49 -2.335 -7.821 6.747 185 HA VAL 49 HA VAL 49 -3.351 -5.047 6.655 186 HB VAL 49 HB VAL 49 -1.783 -6.455 4.473 187 1HG1 VAL 49 1HG1 VAL 49 -3.133 -4.453 3.892 188 2HG1 VAL 49 2HG1 VAL 49 -2.284 -3.508 5.126 189 3HG1 VAL 49 3HG1 VAL 49 -1.382 -4.130 3.734 190 1HG2 VAL 49 1HG2 VAL 49 0.199 -5.131 5.189 191 2HG2 VAL 49 2HG2 VAL 49 -0.668 -4.654 6.670 192 3HG2 VAL 49 3HG2 VAL 49 -0.244 -6.351 6.379 193 H THR 50 H THR 50 -5.443 -5.045 6.331 194 HA THR 50 HA THR 50 -6.745 -7.515 5.548 195 HB THR 50 HB THR 50 -7.929 -4.847 6.360 196 HG1 THR 50 1HG THR 50 -6.975 -5.646 8.181 197 1HG2 THR 50 1HG2 THR 50 -9.464 -6.416 5.059 198 2HG2 THR 50 2HG2 THR 50 -9.100 -7.658 6.265 199 3HG2 THR 50 3HG2 THR 50 -9.934 -6.160 6.753 200 H PHE 51 H PHE 51 -6.307 -7.920 3.307 201 HA PHE 51 HA PHE 51 -6.936 -5.943 1.442 202 1HB PHE 51 1HB PHE 51 -6.283 -7.827 -0.028 203 2HB PHE 51 2HB PHE 51 -5.098 -7.554 1.246 204 HD1 PHE 51 1HD PHE 51 -5.122 -9.203 3.290 205 HD2 PHE 51 2HD PHE 51 -7.219 -9.851 -0.387 206 HE1 PHE 51 1HE PHE 51 -5.145 -11.698 3.702 207 HE2 PHE 51 2HE PHE 51 -7.015 -12.293 -0.060 208 HZ PHE 51 HZ PHE 51 -6.079 -13.216 2.048 209 H ASN 52 H ASN 52 -8.290 -6.570 -0.425 210 HA ASN 52 HA ASN 52 -10.744 -8.036 0.078 211 1HB ASN 52 1HB ASN 52 -12.083 -5.909 -0.351 212 2HB ASN 52 2HB ASN 52 -11.406 -6.148 1.273 213 1HD2 ASN 52 1HD2 ASN 52 -9.431 -4.982 1.855 214 2HD2 ASN 52 2HD2 ASN 52 -9.185 -3.390 1.132 215 H THR 53 H THR 53 -12.223 -7.729 -1.848 216 HA THR 53 HA THR 53 -10.700 -8.739 -3.945 217 HB THR 53 HB THR 53 -13.528 -7.997 -4.509 218 HG1 THR 53 1HG THR 53 -13.328 -10.029 -2.658 219 1HG2 THR 53 1HG2 THR 53 -12.191 -9.728 -5.774 220 2HG2 THR 53 2HG2 THR 53 -12.107 -10.700 -4.291 221 3HG2 THR 53 3HG2 THR 53 -13.676 -10.377 -5.055 222 H GLY 54 H GLY 54 -9.825 -7.876 -5.760 223 1HA GLY 54 1HA GLY 54 -10.446 -5.097 -6.579 224 2HA GLY 54 2HA GLY 54 -8.808 -5.542 -6.080 225 H ASP 55 H ASP 55 -8.375 -4.813 -8.387 226 HA ASP 55 HA ASP 55 -9.060 -6.910 -10.328 227 1HB ASP 55 1HB ASP 55 -9.911 -4.440 -10.512 228 2HB ASP 55 2HB ASP 55 -8.308 -4.147 -11.194 229 HD2 ASP 55 HD ASP 55 -10.416 -6.867 -13.261 230 H SER 56 H SER 56 -6.589 -6.516 -8.526 231 HA SER 56 HA SER 56 -4.411 -6.117 -10.417 232 1HB SER 56 1HB SER 56 -4.668 -6.721 -7.440 233 2HB SER 56 2HB SER 56 -3.080 -6.728 -8.248 234 HG SER 56 HG SER 56 -3.235 -4.657 -8.701 235 H GLU 57 H GLU 57 -2.575 -7.784 -10.193 236 HA GLU 57 HA GLU 57 -2.744 -10.096 -11.401 237 1HB GLU 57 1HB GLU 57 -1.119 -9.712 -8.868 238 2HB GLU 57 2HB GLU 57 -0.723 -10.808 -10.181 239 1HG GLU 57 1HG GLU 57 -0.930 -7.885 -10.843 240 2HG GLU 57 2HG GLU 57 0.423 -8.400 -9.794 241 HE2 GLU 57 HE GLU 57 2.009 -10.091 -12.372 242 H GLN 58 H GLN 58 -2.552 -10.263 -7.850 243 HA GLN 58 HA GLN 58 -3.542 -12.924 -7.609 244 1HB GLN 58 1HB GLN 58 -3.650 -10.912 -5.400 245 2HB GLN 58 2HB GLN 58 -3.307 -12.650 -5.340 246 1HG GLN 58 1HG GLN 58 -1.162 -12.034 -5.094 247 2HG GLN 58 2HG GLN 58 -1.146 -11.695 -6.815 248 1HE2 GLN 58 1HE2 GLN 58 -1.294 -10.394 -3.601 249 2HE2 GLN 58 2HE2 GLN 58 -1.524 -8.694 -3.963 250 H GLY 59 H GLY 59 -5.303 -10.080 -8.238 251 1HA GLY 59 1HA GLY 59 -7.563 -9.906 -8.551 252 2HA GLY 59 2HA GLY 59 -7.858 -11.310 -7.635 253 H ILE 60 H ILE 60 -5.834 -9.176 -5.865 254 HA ILE 60 HA ILE 60 -8.050 -8.079 -4.262 255 HB ILE 60 HB ILE 60 -6.719 -8.947 -2.179 256 1HG1 ILE 60 1HG1 ILE 60 -5.838 -11.056 -4.206 257 2HG1 ILE 60 2HG1 ILE 60 -4.776 -9.739 -3.640 258 1HG2 ILE 60 1HG2 ILE 60 -8.028 -11.088 -2.194 259 2HG2 ILE 60 2HG2 ILE 60 -8.987 -9.702 -2.733 260 3HG2 ILE 60 3HG2 ILE 60 -8.356 -10.868 -3.916 261 1HD1 ILE 60 1HD1 ILE 60 -5.105 -10.556 -1.323 262 2HD1 ILE 60 2HD1 ILE 60 -5.918 -11.991 -1.980 263 3HD1 ILE 60 3HD1 ILE 60 -4.220 -11.643 -2.375 264 H VAL 61 H VAL 61 -7.385 -6.481 -2.767 265 HA VAL 61 HA VAL 61 -4.660 -5.431 -3.102 266 HB VAL 61 HB VAL 61 -5.715 -3.126 -3.196 267 1HG1 VAL 61 1HG1 VAL 61 -6.286 -3.166 -5.565 268 2HG1 VAL 61 2HG1 VAL 61 -4.910 -4.242 -5.271 269 3HG1 VAL 61 3HG1 VAL 61 -6.536 -4.916 -5.539 270 1HG2 VAL 61 1HG2 VAL 61 -7.978 -3.705 -2.282 271 2HG2 VAL 61 2HG2 VAL 61 -8.062 -2.888 -3.851 272 3HG2 VAL 61 3HG2 VAL 61 -8.333 -4.632 -3.737 273 HA PRO 62 HA PRO 62 -4.928 -5.297 1.344 274 1HB PRO 62 1HB PRO 62 -3.033 -3.445 1.953 275 2HB PRO 62 2HB PRO 62 -2.661 -5.092 1.384 276 1HG PRO 62 1HG PRO 62 -2.684 -2.520 -0.164 277 2HG PRO 62 2HG PRO 62 -1.532 -3.895 -0.270 278 1HD PRO 62 1HD PRO 62 -3.620 -3.442 -2.038 279 2HD PRO 62 2HD PRO 62 -2.938 -5.051 -1.702 280 H CYS 63 H CYS 63 -5.465 -3.831 3.161 281 HA CYS 63 HA CYS 63 -6.865 -1.336 2.462 282 1HB CYS 63 1HB CYS 63 -7.803 -2.720 4.248 283 2HB CYS 63 2HB CYS 63 -6.269 -2.649 5.140 284 HG CYS 63 HG CYS 63 -8.047 -1.166 6.334 285 H LEU 64 H LEU 64 -5.791 0.500 2.338 286 HA LEU 64 HA LEU 64 -3.342 0.976 3.874 287 1HB LEU 64 1HB LEU 64 -3.401 2.234 1.202 288 2HB LEU 64 2HB LEU 64 -2.039 1.603 2.151 289 HG LEU 64 HG LEU 64 -2.985 -0.752 1.328 290 1HD1 LEU 64 1HD1 LEU 64 -5.038 0.171 0.230 291 2HD1 LEU 64 2HD1 LEU 64 -4.048 1.183 -0.802 292 3HD1 LEU 64 3HD1 LEU 64 -3.986 -0.583 -0.955 293 1HD2 LEU 64 1HD2 LEU 64 -0.786 -0.011 0.734 294 2HD2 LEU 64 2HD2 LEU 64 -1.578 -0.543 -0.760 295 3HD2 LEU 64 3HD2 LEU 64 -1.429 1.188 -0.399 296 H THR 65 H THR 65 -3.598 3.071 4.811 297 HA THR 65 HA THR 65 -6.045 4.546 4.074 298 HB THR 65 HB THR 65 -6.468 4.881 6.398 299 HG1 THR 65 1HG THR 65 -5.095 4.484 7.916 300 1HG2 THR 65 1HG2 THR 65 -5.636 1.939 5.973 301 2HG2 THR 65 2HG2 THR 65 -6.579 2.505 7.303 302 3HG2 THR 65 3HG2 THR 65 -7.229 2.649 5.654 303 H ARG 66 H ARG 66 -5.894 6.947 4.703 304 HA ARG 66 HA ARG 66 -3.636 8.070 3.634 305 1HB ARG 66 1HB ARG 66 -5.917 9.183 4.353 306 2HB ARG 66 2HB ARG 66 -5.098 9.573 5.872 307 1HG ARG 66 1HG ARG 66 -3.555 10.995 4.819 308 2HG ARG 66 2HG ARG 66 -3.711 10.144 3.242 309 1HD ARG 66 1HD ARG 66 -4.788 12.008 2.664 310 2HD ARG 66 2HD ARG 66 -6.147 11.076 3.355 311 HE ARG 66 HE ARG 66 -6.471 12.681 4.851 312 1HH1 ARG 66 2HH2 ARG 66 -3.029 13.082 4.031 313 2HH1 ARG 66 1HH2 ARG 66 -2.910 14.601 4.817 314 1HH2 ARG 66 2HH1 ARG 66 -6.341 14.719 5.763 315 2HH2 ARG 66 1HH1 ARG 66 -4.864 15.607 5.764 316 H ALA 67 H ALA 67 -4.258 7.280 6.976 317 HA ALA 67 HA ALA 67 -1.849 8.297 8.075 318 1HB ALA 67 1HB ALA 67 -3.843 7.576 9.401 319 2HB ALA 67 2HB ALA 67 -3.379 5.863 9.070 320 3HB ALA 67 3HB ALA 67 -2.286 6.947 9.965 321 H GLN 68 H GLN 68 -2.601 4.848 7.056 322 HA GLN 68 HA GLN 68 -0.068 3.757 7.567 323 1HB GLN 68 1HB GLN 68 -2.078 3.198 5.359 324 2HB GLN 68 2HB GLN 68 -0.668 2.183 5.670 325 1HG GLN 68 1HG GLN 68 -2.325 2.597 8.057 326 2HG GLN 68 2HG GLN 68 -3.211 1.858 6.700 327 1HE2 GLN 68 1HE2 GLN 68 -2.995 -0.368 6.408 328 2HE2 GLN 68 2HE2 GLN 68 -1.774 -1.318 7.187 329 H LEU 69 H LEU 69 -1.231 5.493 4.692 330 HA LEU 69 HA LEU 69 1.127 4.992 3.109 331 1HB LEU 69 1HB LEU 69 -1.093 7.045 2.848 332 2HB LEU 69 2HB LEU 69 0.125 6.695 1.610 333 HG LEU 69 HG LEU 69 -1.763 4.620 2.701 334 1HD1 LEU 69 1HD1 LEU 69 -2.010 6.343 0.187 335 2HD1 LEU 69 2HD1 LEU 69 -3.104 5.017 0.644 336 3HD1 LEU 69 3HD1 LEU 69 -3.005 6.481 1.645 337 1HD2 LEU 69 1HD2 LEU 69 -1.260 3.512 0.461 338 2HD2 LEU 69 2HD2 LEU 69 0.102 4.642 0.312 339 3HD2 LEU 69 3HD2 LEU 69 0.005 3.490 1.672 340 H ALA 70 H ALA 70 -0.116 7.957 4.816 341 HA ALA 70 HA ALA 70 2.302 9.417 4.296 342 1HB ALA 70 1HB ALA 70 0.107 10.466 4.807 343 2HB ALA 70 2HB ALA 70 0.255 9.855 6.479 344 3HB ALA 70 3HB ALA 70 1.428 11.029 5.839 345 H SER 71 H SER 71 1.628 6.819 6.561 346 HA SER 71 HA SER 71 3.609 7.521 8.520 347 1HB SER 71 1HB SER 71 2.411 4.927 7.628 348 2HB SER 71 2HB SER 71 3.848 4.936 8.681 349 HG SER 71 HG SER 71 2.725 6.124 10.193 350 H MET 72 H MET 72 3.696 5.843 5.350 351 HA MET 72 HA MET 72 6.542 5.351 5.271 352 1HB MET 72 1HB MET 72 5.121 5.589 2.721 353 2HB MET 72 2HB MET 72 6.177 4.317 3.313 354 1HG MET 72 1HG MET 72 3.946 3.855 4.801 355 2HG MET 72 2HG MET 72 3.267 4.660 3.350 356 1HE MET 72 1HE MET 72 2.172 1.513 1.850 357 2HE MET 72 2HE MET 72 1.759 2.541 3.249 358 3HE MET 72 3HE MET 72 2.213 3.295 1.696 359 H GLY 73 H GLY 73 4.906 8.282 5.271 360 1HA GLY 73 1HA GLY 73 5.616 10.372 4.645 361 2HA GLY 73 2HA GLY 73 6.970 9.649 3.783 362 H LEU 74 H LEU 74 3.947 8.241 2.787 363 HA LEU 74 HA LEU 74 4.214 9.142 0.147 364 1HB LEU 74 1HB LEU 74 2.997 7.303 0.206 365 2HB LEU 74 2HB LEU 74 2.070 7.805 1.628 366 HG LEU 74 HG LEU 74 0.784 7.449 -0.361 367 1HD1 LEU 74 1HD1 LEU 74 0.149 10.253 0.168 368 2HD1 LEU 74 2HD1 LEU 74 -0.833 8.787 0.287 369 3HD1 LEU 74 3HD1 LEU 74 0.282 9.203 1.589 370 1HD2 LEU 74 1HD2 LEU 74 2.328 8.386 -2.044 371 2HD2 LEU 74 2HD2 LEU 74 0.589 8.654 -2.252 372 3HD2 LEU 74 3HD2 LEU 74 1.610 9.963 -1.693 373 H ASN 75 H ASN 75 3.449 10.830 -0.957 374 HA ASN 75 HA ASN 75 2.704 13.250 0.540 375 1HB ASN 75 1HB ASN 75 4.501 13.090 -1.223 376 2HB ASN 75 2HB ASN 75 3.244 12.933 -2.442 377 1HD2 ASN 75 1HD2 ASN 75 5.224 15.020 -2.101 378 2HD2 ASN 75 2HD2 ASN 75 4.416 16.521 -1.699 379 H THR 76 H THR 76 0.466 12.814 1.098 380 HA THR 76 HA THR 76 -1.533 12.057 -0.742 381 HB THR 76 HB THR 76 -3.099 12.848 0.898 382 HG1 THR 76 1HG THR 76 -2.433 14.791 1.431 383 1HG2 THR 76 1HG2 THR 76 -1.919 10.828 1.569 384 2HG2 THR 76 2HG2 THR 76 -0.593 11.768 2.291 385 3HG2 THR 76 3HG2 THR 76 -2.191 11.845 2.993 386 H ALA 77 H ALA 77 -0.003 15.264 -0.272 387 HA ALA 77 HA ALA 77 -2.188 16.742 -1.452 388 1HB ALA 77 1HB ALA 77 -0.613 17.776 0.117 389 2HB ALA 77 2HB ALA 77 0.722 17.538 -1.037 390 3HB ALA 77 3HB ALA 77 -0.624 18.622 -1.439 391 H SER 78 H SER 78 0.707 15.084 -2.710 392 HA SER 78 HA SER 78 0.803 16.262 -5.261 393 1HB SER 78 1HB SER 78 1.472 13.458 -4.345 394 2HB SER 78 2HB SER 78 1.822 14.090 -5.979 395 HG SER 78 HG SER 78 3.602 14.561 -5.027 396 H VAL 79 H VAL 79 -1.675 14.020 -3.914 397 HA VAL 79 HA VAL 79 -2.757 13.501 -6.559 398 HB VAL 79 HB VAL 79 -3.615 12.165 -4.030 399 1HG1 VAL 79 1HG1 VAL 79 -3.807 10.244 -5.389 400 2HG1 VAL 79 2HG1 VAL 79 -4.371 11.585 -6.398 401 3HG1 VAL 79 3HG1 VAL 79 -2.769 10.935 -6.651 402 1HG2 VAL 79 1HG2 VAL 79 -0.816 11.800 -5.103 403 2HG2 VAL 79 2HG2 VAL 79 -1.333 12.061 -3.426 404 3HG2 VAL 79 3HG2 VAL 79 -1.656 10.517 -4.212 405 H ALA 80 H ALA 80 -4.268 14.990 -7.100 406 HA ALA 80 HA ALA 80 -5.664 16.677 -5.258 407 1HB ALA 80 1HB ALA 80 -6.810 17.494 -7.274 408 2HB ALA 80 2HB ALA 80 -5.067 17.367 -7.541 409 3HB ALA 80 3HB ALA 80 -6.165 16.136 -8.211 410 H GLY 81 H GLY 81 -6.446 14.851 -3.933 411 1HA GLY 81 1HA GLY 81 -9.135 14.444 -3.662 412 2HA GLY 81 2HA GLY 81 -8.752 13.345 -4.978 413 H MET 82 H MET 82 -6.164 13.644 -2.640 414 HA MET 82 HA MET 82 -6.974 11.033 -1.444 415 1HB MET 82 1HB MET 82 -4.841 11.319 -2.633 416 2HB MET 82 2HB MET 82 -4.321 12.476 -1.408 417 1HG MET 82 1HG MET 82 -4.426 10.801 0.308 418 2HG MET 82 2HG MET 82 -5.250 9.661 -0.748 419 1HE MET 82 1HE MET 82 -2.496 8.499 -3.177 420 2HE MET 82 2HE MET 82 -4.143 8.219 -2.538 421 3HE MET 82 3HE MET 82 -3.754 9.713 -3.395 422 H ASN 83 H ASN 83 -6.203 14.273 -0.589 423 HA ASN 83 HA ASN 83 -5.937 14.164 2.211 424 1HB ASN 83 1HB ASN 83 -6.831 16.587 0.619 425 2HB ASN 83 2HB ASN 83 -5.792 16.531 2.058 426 1HD2 ASN 83 1HD2 ASN 83 -5.961 16.279 -1.439 427 2HD2 ASN 83 2HD2 ASN 83 -4.325 15.700 -1.709 428 H LEU 84 H LEU 84 -8.614 13.227 0.863 429 HA LEU 84 HA LEU 84 -10.443 14.507 2.786 430 1HB LEU 84 1HB LEU 84 -12.160 14.182 0.845 431 2HB LEU 84 2HB LEU 84 -11.200 15.658 1.069 432 HG LEU 84 HG LEU 84 -11.401 15.019 -1.245 433 1HD1 LEU 84 1HD1 LEU 84 -9.243 16.006 -0.098 434 2HD1 LEU 84 2HD1 LEU 84 -8.547 14.628 -0.980 435 3HD1 LEU 84 3HD1 LEU 84 -9.482 15.841 -1.856 436 1HD2 LEU 84 1HD2 LEU 84 -9.719 12.549 -0.724 437 2HD2 LEU 84 2HD2 LEU 84 -11.481 12.500 -0.738 438 3HD2 LEU 84 3HD2 LEU 84 -10.620 13.009 -2.188 439 H LEU 85 H LEU 85 -9.012 11.673 2.089 440 HA LEU 85 HA LEU 85 -11.320 9.871 2.624 441 1HB LEU 85 1HB LEU 85 -8.350 9.493 2.114 442 2HB LEU 85 2HB LEU 85 -9.403 8.178 2.669 443 HG LEU 85 HG LEU 85 -10.420 9.597 0.287 444 1HD1 LEU 85 1HD1 LEU 85 -8.067 9.733 -0.241 445 2HD1 LEU 85 2HD1 LEU 85 -7.876 7.990 -0.006 446 3HD1 LEU 85 3HD1 LEU 85 -8.913 8.617 -1.311 447 1HD2 LEU 85 1HD2 LEU 85 -10.740 7.239 -0.476 448 2HD2 LEU 85 2HD2 LEU 85 -9.833 6.651 0.924 449 3HD2 LEU 85 3HD2 LEU 85 -11.388 7.474 1.153 450 H ALA 86 H ALA 86 -10.904 8.322 4.612 451 HA ALA 86 HA ALA 86 -10.162 9.983 6.937 452 1HB ALA 86 1HB ALA 86 -11.178 7.119 6.959 453 2HB ALA 86 2HB ALA 86 -11.230 8.309 8.256 454 3HB ALA 86 3HB ALA 86 -12.257 8.546 6.837 455 H ASP 87 H ASP 87 -9.011 8.791 8.779 456 HA ASP 87 HA ASP 87 -6.392 7.928 7.884 457 1HB ASP 87 1HB ASP 87 -7.664 8.021 10.653 458 2HB ASP 87 2HB ASP 87 -5.942 7.718 10.331 459 HD2 ASP 87 HD ASP 87 -5.781 11.146 9.039 460 H ASP 88 H ASP 88 -9.293 6.232 8.293 461 HA ASP 88 HA ASP 88 -7.916 3.628 8.270 462 1HB ASP 88 1HB ASP 88 -9.956 2.848 9.500 463 2HB ASP 88 2HB ASP 88 -8.788 3.917 10.310 464 HD2 ASP 88 HD ASP 88 -11.263 6.115 11.161 465 H ALA 89 H ALA 89 -8.808 5.371 6.070 466 HA ALA 89 HA ALA 89 -11.093 3.763 5.199 467 1HB ALA 89 1HB ALA 89 -10.063 6.468 4.281 468 2HB ALA 89 2HB ALA 89 -11.299 5.587 3.375 469 3HB ALA 89 3HB ALA 89 -11.611 6.089 5.068 470 H CYS 90 H CYS 90 -10.819 2.428 3.388 471 HA CYS 90 HA CYS 90 -8.222 1.702 2.491 472 1HB CYS 90 1HB CYS 90 -10.985 1.169 1.364 473 2HB CYS 90 2HB CYS 90 -9.497 0.333 0.870 474 HG CYS 90 HG CYS 90 -11.001 -1.279 2.287 475 H VAL 91 H VAL 91 -7.124 3.477 1.585 476 HA VAL 91 HA VAL 91 -8.132 5.141 -0.512 477 HB VAL 91 HB VAL 91 -5.227 4.325 0.018 478 1HG1 VAL 91 1HG1 VAL 91 -6.445 6.770 -1.353 479 2HG1 VAL 91 2HG1 VAL 91 -4.739 6.584 -0.938 480 3HG1 VAL 91 3HG1 VAL 91 -5.463 5.503 -2.127 481 1HG2 VAL 91 1HG2 VAL 91 -6.086 5.190 2.069 482 2HG2 VAL 91 2HG2 VAL 91 -5.177 6.501 1.320 483 3HG2 VAL 91 3HG2 VAL 91 -6.949 6.489 1.228 484 HA PRO 92 HA PRO 92 -7.417 2.008 -3.692 485 1HB PRO 92 1HB PRO 92 -8.046 3.387 -5.944 486 2HB PRO 92 2HB PRO 92 -9.262 2.752 -4.796 487 1HG PRO 92 1HG PRO 92 -8.190 5.553 -5.040 488 2HG PRO 92 2HG PRO 92 -9.867 4.998 -4.763 489 1HD PRO 92 1HD PRO 92 -8.042 5.889 -2.798 490 2HD PRO 92 2HD PRO 92 -9.460 4.894 -2.424 491 H LEU 93 H LEU 93 -5.170 2.232 -2.865 492 HA LEU 93 HA LEU 93 -3.379 4.223 -3.770 493 1HB LEU 93 1HB LEU 93 -2.823 2.825 -1.902 494 2HB LEU 93 2HB LEU 93 -2.850 1.363 -2.892 495 HG LEU 93 HG LEU 93 -0.607 2.094 -2.201 496 1HD1 LEU 93 1HD1 LEU 93 -0.921 0.767 -4.284 497 2HD1 LEU 93 2HD1 LEU 93 -0.704 2.291 -5.203 498 3HD1 LEU 93 3HD1 LEU 93 0.582 1.666 -4.148 499 1HD2 LEU 93 1HD2 LEU 93 -0.713 4.457 -2.191 500 2HD2 LEU 93 2HD2 LEU 93 0.515 3.955 -3.346 501 3HD2 LEU 93 3HD2 LEU 93 -1.037 4.515 -3.960 502 H THR 94 H THR 94 -4.008 0.958 -5.167 503 HA THR 94 HA THR 94 -2.111 1.468 -7.283 504 HB THR 94 HB THR 94 -2.949 -0.780 -8.088 505 HG1 THR 94 1HG THR 94 -4.680 -1.574 -7.208 506 1HG2 THR 94 1HG2 THR 94 -1.067 -0.405 -6.435 507 2HG2 THR 94 2HG2 THR 94 -2.214 -0.805 -5.138 508 3HG2 THR 94 3HG2 THR 94 -1.849 -2.002 -6.388 509 H THR 95 H THR 95 -5.233 2.821 -6.998 510 HA THR 95 HA THR 95 -5.465 2.840 -9.975 511 HB THR 95 HB THR 95 -7.625 3.500 -7.974 512 HG1 THR 95 1HG THR 95 -8.289 1.243 -8.461 513 1HG2 THR 95 1HG2 THR 95 -7.723 2.560 -10.863 514 2HG2 THR 95 2HG2 THR 95 -9.123 2.932 -9.830 515 3HG2 THR 95 3HG2 THR 95 -8.000 4.219 -10.284 516 H MET 96 H MET 96 -5.729 4.834 -6.974 517 HA MET 96 HA MET 96 -5.834 7.298 -8.480 518 1HB MET 96 1HB MET 96 -6.853 6.569 -6.192 519 2HB MET 96 2HB MET 96 -5.319 7.004 -5.496 520 1HG MET 96 1HG MET 96 -5.606 9.312 -6.239 521 2HG MET 96 2HG MET 96 -6.949 8.826 -7.309 522 1HE MET 96 1HE MET 96 -5.790 9.641 -3.735 523 2HE MET 96 2HE MET 96 -7.158 9.152 -2.714 524 3HE MET 96 3HE MET 96 -6.187 7.900 -3.522 525 H VAL 97 H VAL 97 -3.238 5.214 -7.554 526 HA VAL 97 HA VAL 97 -1.365 7.336 -8.363 527 HB VAL 97 HB VAL 97 -0.707 5.197 -6.315 528 1HG1 VAL 97 1HG1 VAL 97 1.357 6.500 -6.044 529 2HG1 VAL 97 2HG1 VAL 97 1.182 5.912 -7.701 530 3HG1 VAL 97 3HG1 VAL 97 0.844 7.602 -7.345 531 1HG2 VAL 97 1HG2 VAL 97 -1.354 8.162 -5.913 532 2HG2 VAL 97 2HG2 VAL 97 -2.180 6.767 -5.202 533 3HG2 VAL 97 3HG2 VAL 97 -0.523 7.150 -4.711 534 H GLN 98 H GLN 98 -0.811 6.838 -10.364 535 HA GLN 98 HA GLN 98 -0.960 4.166 -11.499 536 1HB GLN 98 1HB GLN 98 -1.251 6.613 -12.536 537 2HB GLN 98 2HB GLN 98 0.500 6.500 -12.751 538 1HG GLN 98 1HG GLN 98 0.169 4.335 -13.962 539 2HG GLN 98 2HG GLN 98 -1.590 4.527 -13.779 540 1HE2 GLN 98 1HE2 GLN 98 0.051 4.354 -16.220 541 2HE2 GLN 98 2HE2 GLN 98 -0.243 5.841 -17.127 542 H ASP 99 H ASP 99 1.079 3.222 -12.446 543 HA ASP 99 HA ASP 99 3.109 2.309 -12.351 544 1HB ASP 99 1HB ASP 99 4.103 4.542 -12.471 545 2HB ASP 99 2HB ASP 99 4.060 4.657 -10.707 546 HD2 ASP 99 HD ASP 99 6.678 2.044 -12.212 547 H ALA 100 H ALA 100 1.844 3.533 -9.344 548 HA ALA 100 HA ALA 100 3.234 1.929 -7.529 549 1HB ALA 100 1HB ALA 100 1.427 2.621 -5.972 550 2HB ALA 100 2HB ALA 100 1.994 3.983 -6.938 551 3HB ALA 100 3HB ALA 100 0.450 3.164 -7.330 552 H THR 101 H THR 101 2.484 0.220 -6.200 553 HA THR 101 HA THR 101 0.485 -1.640 -7.326 554 HB THR 101 HB THR 101 2.400 -3.411 -7.288 555 HG1 THR 101 1HG THR 101 4.228 -1.633 -8.181 556 1HG2 THR 101 1HG2 THR 101 3.075 -2.962 -9.607 557 2HG2 THR 101 2HG2 THR 101 1.345 -2.813 -9.387 558 3HG2 THR 101 3HG2 THR 101 2.341 -1.348 -9.530 559 H ALA 102 H ALA 102 0.034 -3.398 -5.865 560 HA ALA 102 HA ALA 102 1.251 -3.359 -3.199 561 1HB ALA 102 1HB ALA 102 -0.881 -2.033 -3.174 562 2HB ALA 102 2HB ALA 102 -1.744 -3.425 -3.871 563 3HB ALA 102 3HB ALA 102 -0.990 -3.547 -2.276 564 H HIS 103 H HIS 103 2.344 -5.024 -4.690 565 HA HIS 103 HA HIS 103 0.940 -7.521 -5.167 566 1HB HIS 103 1HB HIS 103 2.598 -7.269 -6.721 567 2HB HIS 103 2HB HIS 103 3.668 -6.377 -5.636 568 HD1 HIS 103 1HD HIS 103 5.845 -7.766 -6.215 569 HD2 HIS 103 2HD HIS 103 2.609 -10.039 -4.776 570 HE1 HIS 103 1HE HIS 103 6.704 -10.098 -5.818 571 HE2 HIS 103 2HE HIS 103 4.745 -11.520 -4.955 572 H LEU 104 H LEU 104 0.468 -8.906 -3.563 573 HA LEU 104 HA LEU 104 1.980 -8.809 -1.032 574 1HB LEU 104 1HB LEU 104 -0.116 -9.016 -0.317 575 2HB LEU 104 2HB LEU 104 -0.741 -9.748 -1.770 576 HG LEU 104 HG LEU 104 0.721 -11.801 -0.724 577 1HD1 LEU 104 1HD1 LEU 104 0.106 -10.097 1.532 578 2HD1 LEU 104 2HD1 LEU 104 -0.013 -11.863 1.708 579 3HD1 LEU 104 3HD1 LEU 104 1.498 -11.134 1.164 580 1HD2 LEU 104 1HD2 LEU 104 -1.648 -12.490 0.200 581 2HD2 LEU 104 2HD2 LEU 104 -2.149 -11.152 -0.842 582 3HD2 LEU 104 3HD2 LEU 104 -1.221 -12.477 -1.514 583 H ASP 105 H ASP 105 3.826 -9.887 -1.013 584 HA ASP 105 HA ASP 105 4.182 -12.455 -2.420 585 1HB ASP 105 1HB ASP 105 5.999 -10.684 -2.260 586 2HB ASP 105 2HB ASP 105 6.052 -10.971 -0.522 587 HD2 ASP 105 HD ASP 105 7.056 -14.438 -1.485 588 H VAL 106 H VAL 106 2.576 -13.778 -1.234 589 HA VAL 106 HA VAL 106 2.713 -14.036 1.591 590 HB VAL 106 HB VAL 106 1.796 -16.291 -0.193 591 1HG1 VAL 106 1HG1 VAL 106 -0.041 -16.271 1.540 592 2HG1 VAL 106 2HG1 VAL 106 1.571 -16.392 2.289 593 3HG1 VAL 106 3HG1 VAL 106 0.733 -14.836 2.270 594 1HG2 VAL 106 1HG2 VAL 106 0.831 -14.253 -1.336 595 2HG2 VAL 106 2HG2 VAL 106 -0.376 -15.299 -0.597 596 3HG2 VAL 106 3HG2 VAL 106 0.124 -13.823 0.237 597 H GLY 107 H GLY 107 4.984 -15.059 -0.830 598 1HA GLY 107 1HA GLY 107 5.845 -17.546 0.390 599 2HA GLY 107 2HA GLY 107 6.705 -16.556 -0.796 600 H GLN 108 H GLN 108 7.064 -14.210 0.251 601 HA GLN 108 HA GLN 108 8.874 -14.736 2.493 602 1HB GLN 108 1HB GLN 108 9.445 -13.563 0.245 603 2HB GLN 108 2HB GLN 108 8.670 -12.112 0.902 604 1HG GLN 108 1HG GLN 108 11.123 -12.123 1.209 605 2HG GLN 108 2HG GLN 108 10.252 -12.051 2.747 606 1HE2 GLN 108 1HE2 GLN 108 11.969 -12.912 3.984 607 2HE2 GLN 108 2HE2 GLN 108 12.615 -14.525 3.789 608 H GLN 109 H GLN 109 5.764 -13.489 2.153 609 HA GLN 109 HA GLN 109 4.357 -12.294 3.379 610 1HB GLN 109 1HB GLN 109 6.226 -12.771 5.720 611 2HB GLN 109 2HB GLN 109 4.573 -12.114 5.811 612 1HG GLN 109 1HG GLN 109 3.759 -14.224 4.689 613 2HG GLN 109 2HG GLN 109 5.395 -14.890 4.850 614 1HE2 GLN 109 1HE2 GLN 109 2.799 -13.379 6.928 615 2HE2 GLN 109 2HE2 GLN 109 3.058 -14.486 8.260 616 H ARG 110 H ARG 110 5.578 -10.983 1.690 617 HA ARG 110 HA ARG 110 6.518 -8.429 2.914 618 1HB ARG 110 1HB ARG 110 8.441 -9.368 1.849 619 2HB ARG 110 2HB ARG 110 7.530 -9.659 0.357 620 1HG ARG 110 1HG ARG 110 7.228 -7.213 0.075 621 2HG ARG 110 2HG ARG 110 8.218 -6.921 1.503 622 1HD ARG 110 1HD ARG 110 9.327 -8.607 -0.711 623 2HD ARG 110 2HD ARG 110 9.292 -6.858 -0.888 624 HE ARG 110 HE ARG 110 10.604 -8.266 1.403 625 1HH1 ARG 110 2HH2 ARG 110 11.071 -5.784 -1.258 626 2HH1 ARG 110 1HH2 ARG 110 12.640 -5.468 -0.640 627 1HH2 ARG 110 2HH1 ARG 110 12.644 -7.537 2.113 628 2HH2 ARG 110 1HH1 ARG 110 13.473 -6.331 1.189 629 H LEU 111 H LEU 111 5.419 -6.609 2.215 630 HA LEU 111 HA LEU 111 3.357 -7.050 0.131 631 1HB LEU 111 1HB LEU 111 2.373 -6.535 2.354 632 2HB LEU 111 2HB LEU 111 3.229 -4.992 2.333 633 HG LEU 111 HG LEU 111 2.062 -4.359 0.316 634 1HD1 LEU 111 1HD1 LEU 111 0.538 -6.928 0.395 635 2HD1 LEU 111 2HD1 LEU 111 0.071 -5.503 -0.550 636 3HD1 LEU 111 3HD1 LEU 111 1.591 -6.308 -0.890 637 1HD2 LEU 111 1HD2 LEU 111 0.254 -5.266 2.565 638 2HD2 LEU 111 2HD2 LEU 111 1.145 -3.728 2.470 639 3HD2 LEU 111 3HD2 LEU 111 -0.173 -4.031 1.360 640 H ASN 112 H ASN 112 4.432 -6.653 -1.540 641 HA ASN 112 HA ASN 112 6.637 -4.847 -1.803 642 1HB ASN 112 1HB ASN 112 5.006 -6.389 -3.848 643 2HB ASN 112 2HB ASN 112 6.592 -5.674 -4.106 644 1HD2 ASN 112 1HD2 ASN 112 8.175 -7.238 -4.079 645 2HD2 ASN 112 2HD2 ASN 112 7.902 -8.846 -3.443 646 H LEU 113 H LEU 113 5.939 -2.811 -1.421 647 HA LEU 113 HA LEU 113 3.576 -1.747 -2.839 648 1HB LEU 113 1HB LEU 113 4.377 -1.823 -0.140 649 2HB LEU 113 2HB LEU 113 4.720 -0.169 -0.612 650 HG LEU 113 HG LEU 113 2.494 -0.579 0.450 651 1HD1 LEU 113 1HD1 LEU 113 2.844 1.417 -0.843 652 2HD1 LEU 113 2HD1 LEU 113 2.442 0.578 -2.359 653 3HD1 LEU 113 3HD1 LEU 113 1.199 0.830 -1.109 654 1HD2 LEU 113 1HD2 LEU 113 2.172 -2.767 -1.132 655 2HD2 LEU 113 2HD2 LEU 113 0.819 -1.873 -0.409 656 3HD2 LEU 113 3HD2 LEU 113 1.296 -1.572 -2.084 657 H THR 114 H THR 114 3.936 -0.088 -4.307 658 HA THR 114 HA THR 114 6.626 1.187 -4.327 659 HB THR 114 HB THR 114 5.192 0.012 -6.745 660 HG1 THR 114 1HG THR 114 6.936 -1.428 -6.791 661 1HG2 THR 114 1HG2 THR 114 7.922 1.356 -6.576 662 2HG2 THR 114 2HG2 THR 114 7.181 0.610 -8.020 663 3HG2 THR 114 3HG2 THR 114 6.458 2.040 -7.332 664 H ILE 115 H ILE 115 6.543 3.337 -5.115 665 HA ILE 115 HA ILE 115 4.081 4.455 -6.133 666 HB ILE 115 HB ILE 115 5.324 5.300 -3.469 667 1HG1 ILE 115 1HG1 ILE 115 2.480 4.656 -4.358 668 2HG1 ILE 115 2HG1 ILE 115 3.497 3.657 -3.296 669 1HG2 ILE 115 1HG2 ILE 115 3.436 6.922 -5.203 670 2HG2 ILE 115 2HG2 ILE 115 3.922 7.343 -3.548 671 3HG2 ILE 115 3HG2 ILE 115 5.124 7.327 -4.792 672 1HD1 ILE 115 1HD1 ILE 115 2.053 4.691 -1.817 673 2HD1 ILE 115 2HD1 ILE 115 3.528 5.685 -1.710 674 3HD1 ILE 115 3HD1 ILE 115 2.134 6.247 -2.679 675 HA PRO 116 HA PRO 116 7.468 6.373 -8.412 676 1HB PRO 116 1HB PRO 116 6.028 8.259 -9.755 677 2HB PRO 116 2HB PRO 116 6.071 6.543 -10.226 678 1HG PRO 116 1HG PRO 116 3.969 7.998 -8.627 679 2HG PRO 116 2HG PRO 116 3.744 6.818 -9.959 680 1HD PRO 116 1HD PRO 116 3.561 6.154 -7.296 681 2HD PRO 116 2HD PRO 116 4.163 4.993 -8.499 682 H GLN 117 H GLN 117 8.764 8.082 -7.841 683 HA GLN 117 HA GLN 117 8.379 9.175 -5.298 684 1HB GLN 117 1HB GLN 117 10.324 9.860 -7.512 685 2HB GLN 117 2HB GLN 117 10.408 10.617 -5.904 686 1HG GLN 117 1HG GLN 117 10.552 7.623 -6.417 687 2HG GLN 117 2HG GLN 117 11.953 8.695 -6.153 688 1HE2 GLN 117 1HE2 GLN 117 10.497 6.328 -4.534 689 2HE2 GLN 117 2HE2 GLN 117 10.638 7.018 -2.919 690 H ALA 118 H ALA 118 7.202 10.558 -8.280 691 HA ALA 118 HA ALA 118 6.846 13.252 -7.504 692 1HB ALA 118 1HB ALA 118 4.945 13.228 -9.073 693 2HB ALA 118 2HB ALA 118 6.347 12.375 -9.750 694 3HB ALA 118 3HB ALA 118 4.992 11.452 -9.123 695 H PHE 119 H PHE 119 5.124 10.300 -6.344 696 HA PHE 119 HA PHE 119 3.192 12.006 -4.855 697 1HB PHE 119 1HB PHE 119 3.302 9.050 -5.540 698 2HB PHE 119 2HB PHE 119 2.032 9.813 -4.589 699 HD1 PHE 119 1HD PHE 119 3.635 10.255 -8.025 700 HD2 PHE 119 2HD PHE 119 0.026 9.908 -5.741 701 HE1 PHE 119 1HE PHE 119 2.331 10.636 -10.055 702 HE2 PHE 119 2HE PHE 119 -1.295 10.111 -7.857 703 HZ PHE 119 HZ PHE 119 -0.140 10.549 -10.000 704 H MET 120 H MET 120 6.067 11.851 -4.212 705 HA MET 120 HA MET 120 5.788 10.793 -1.461 706 1HB MET 120 1HB MET 120 8.269 10.581 -3.201 707 2HB MET 120 2HB MET 120 8.172 10.156 -1.480 708 1HG MET 120 1HG MET 120 6.682 8.810 -3.740 709 2HG MET 120 2HG MET 120 8.109 8.175 -2.911 710 1HE MET 120 1HE MET 120 8.057 7.113 -0.400 711 2HE MET 120 2HE MET 120 7.518 8.696 0.203 712 3HE MET 120 3HE MET 120 6.635 7.245 0.668 713 H SER 121 H SER 121 7.460 11.876 -0.117 714 HA SER 121 HA SER 121 7.391 14.777 -0.685 715 1HB SER 121 1HB SER 121 6.009 14.319 1.119 716 2HB SER 121 2HB SER 121 7.113 13.110 1.794 717 HG SER 121 HG SER 121 7.597 14.631 3.036 718 H ASN 122 H ASN 122 9.352 14.106 -2.070 719 HA ASN 122 HA ASN 122 11.491 14.383 -2.507 720 1HB ASN 122 1HB ASN 122 12.170 14.814 0.405 721 2HB ASN 122 2HB ASN 122 13.080 15.338 -1.026 722 1HD2 ASN 122 1HD2 ASN 122 10.928 16.369 1.403 723 2HD2 ASN 122 2HD2 ASN 122 10.382 17.842 0.638 724 H ARG 123 H ARG 123 10.488 12.023 -0.276 725 HA ARG 123 HA ARG 123 11.171 9.747 -1.227 726 1HB ARG 123 1HB ARG 123 13.762 10.790 -0.146 727 2HB ARG 123 2HB ARG 123 13.299 9.100 0.238 728 1HG ARG 123 1HG ARG 123 12.933 8.703 -2.203 729 2HG ARG 123 2HG ARG 123 13.595 10.306 -2.540 730 1HD ARG 123 1HD ARG 123 15.427 9.006 -0.774 731 2HD ARG 123 2HD ARG 123 14.966 7.794 -1.981 732 HE ARG 123 HE ARG 123 16.485 10.272 -2.382 733 1HH1 ARG 123 2HH2 ARG 123 14.674 7.684 -4.112 734 2HH1 ARG 123 1HH2 ARG 123 15.352 8.112 -5.633 735 1HH2 ARG 123 2HH1 ARG 123 17.589 10.519 -4.261 736 2HH2 ARG 123 1HH1 ARG 123 17.342 9.528 -5.653 737 H ALA 124 H ALA 124 10.760 8.039 0.251 738 HA ALA 124 HA ALA 124 9.585 8.705 2.812 739 1HB ALA 124 1HB ALA 124 9.790 6.278 3.219 740 2HB ALA 124 2HB ALA 124 9.073 6.573 1.629 741 3HB ALA 124 3HB ALA 124 10.783 6.093 1.749 742 H ARG 125 H ARG 125 10.704 9.028 4.757 743 HA ARG 125 HA ARG 125 13.601 8.390 4.846 744 1HB ARG 125 1HB ARG 125 12.394 10.865 6.098 745 2HB ARG 125 2HB ARG 125 14.107 10.454 5.954 746 1HG ARG 125 1HG ARG 125 12.213 11.286 3.735 747 2HG ARG 125 2HG ARG 125 13.495 12.263 4.471 748 1HD ARG 125 1HD ARG 125 14.637 9.794 3.466 749 2HD ARG 125 2HD ARG 125 13.616 10.510 2.191 750 HE ARG 125 HE ARG 125 15.085 12.594 3.309 751 1HH1 ARG 125 2HH2 ARG 125 16.161 9.576 1.684 752 2HH1 ARG 125 1HH2 ARG 125 17.464 10.421 0.888 753 1HH2 ARG 125 2HH1 ARG 125 16.917 13.527 2.344 754 2HH2 ARG 125 1HH1 ARG 125 17.919 12.534 1.301 Start of MODEL 18 1 1H GLY 25 H GLY 25 -4.995 -11.100 -11.626 2 1HA GLY 25 1HA GLY 25 -6.239 -12.923 -12.740 3 2HA GLY 25 2HA GLY 25 -5.006 -14.036 -12.100 4 H GLN 26 H GLN 26 -7.869 -14.184 -11.454 5 HA GLN 26 HA GLN 26 -7.952 -13.150 -8.691 6 1HB GLN 26 1HB GLN 26 -9.956 -12.757 -10.061 7 2HB GLN 26 2HB GLN 26 -10.143 -14.514 -10.271 8 1HG GLN 26 1HG GLN 26 -11.611 -13.557 -8.486 9 2HG GLN 26 2HG GLN 26 -10.527 -14.829 -7.909 10 1HE2 GLN 26 1HE2 GLN 26 -8.842 -14.278 -6.499 11 2HE2 GLN 26 2HE2 GLN 26 -8.716 -12.811 -5.595 12 H GLU 27 H GLU 27 -6.698 -14.419 -7.429 13 HA GLU 27 HA GLU 27 -7.326 -17.287 -7.253 14 1HB GLU 27 1HB GLU 27 -4.839 -17.757 -7.672 15 2HB GLU 27 2HB GLU 27 -5.911 -17.400 -9.063 16 1HG GLU 27 1HG GLU 27 -5.046 -15.012 -8.940 17 2HG GLU 27 2HG GLU 27 -3.807 -15.571 -7.842 18 HE2 GLU 27 HE GLU 27 -2.314 -17.434 -10.561 19 H LEU 28 H LEU 28 -7.346 -14.871 -5.481 20 HA LEU 28 HA LEU 28 -6.637 -16.548 -3.237 21 1HB LEU 28 1HB LEU 28 -5.555 -13.752 -3.509 22 2HB LEU 28 2HB LEU 28 -5.901 -14.442 -1.904 23 HG LEU 28 HG LEU 28 -3.922 -15.567 -3.930 24 1HD1 LEU 28 1HD1 LEU 28 -3.101 -13.510 -2.990 25 2HD1 LEU 28 2HD1 LEU 28 -3.574 -13.988 -1.356 26 3HD1 LEU 28 3HD1 LEU 28 -2.258 -14.834 -2.201 27 1HD2 LEU 28 1HD2 LEU 28 -4.779 -17.391 -2.534 28 2HD2 LEU 28 2HD2 LEU 28 -3.160 -16.971 -1.996 29 3HD2 LEU 28 3HD2 LEU 28 -4.567 -16.415 -1.064 30 HA PRO 29 HA PRO 29 -10.660 -15.007 -2.052 31 1HB PRO 29 1HB PRO 29 -10.923 -16.212 0.388 32 2HB PRO 29 2HB PRO 29 -11.054 -17.116 -1.148 33 1HG PRO 29 1HG PRO 29 -8.675 -16.898 0.695 34 2HG PRO 29 2HG PRO 29 -9.315 -18.361 -0.132 35 1HD PRO 29 1HD PRO 29 -7.178 -16.862 -1.053 36 2HD PRO 29 2HD PRO 29 -8.255 -17.773 -2.138 37 HA PRO 30 HA PRO 30 -9.133 -11.549 0.355 38 1HB PRO 30 1HB PRO 30 -11.480 -10.345 1.123 39 2HB PRO 30 2HB PRO 30 -10.589 -10.147 -0.421 40 1HG PRO 30 1HG PRO 30 -13.065 -11.705 0.120 41 2HG PRO 30 2HG PRO 30 -12.470 -10.939 -1.402 42 1HD PRO 30 1HD PRO 30 -12.341 -13.692 -0.699 43 2HD PRO 30 2HD PRO 30 -11.468 -12.912 -2.034 44 H GLY 31 H GLY 31 -9.273 -10.609 2.702 45 1HA GLY 31 1HA GLY 31 -10.278 -11.301 4.904 46 2HA GLY 31 2HA GLY 31 -9.753 -12.931 4.578 47 H THR 32 H THR 32 -7.589 -10.119 4.204 48 HA THR 32 HA THR 32 -5.889 -9.320 5.303 49 HB THR 32 HB THR 32 -7.822 -9.072 7.033 50 HG1 THR 32 1HG THR 32 -5.895 -8.314 8.540 51 1HG2 THR 32 1HG2 THR 32 -5.862 -10.701 8.660 52 2HG2 THR 32 2HG2 THR 32 -7.243 -9.787 9.305 53 3HG2 THR 32 3HG2 THR 32 -7.534 -11.203 8.288 54 H TYR 33 H TYR 33 -3.868 -9.626 5.319 55 HA TYR 33 HA TYR 33 -2.823 -12.336 5.982 56 1HB TYR 33 1HB TYR 33 -0.973 -11.815 4.472 57 2HB TYR 33 2HB TYR 33 -2.520 -11.889 3.634 58 HD1 TYR 33 1HD TYR 33 -3.024 -10.217 2.155 59 HD2 TYR 33 2HD TYR 33 -0.175 -9.208 5.193 60 HE1 TYR 33 1HE TYR 33 -2.720 -8.008 1.206 61 HE2 TYR 33 2HE TYR 33 0.191 -7.047 3.974 62 HH TYR 33 HH TYR 33 -0.196 -5.832 1.983 63 H ARG 34 H ARG 34 -0.459 -12.144 6.536 64 HA ARG 34 HA ARG 34 0.171 -9.781 8.286 65 1HB ARG 34 1HB ARG 34 -0.468 -11.684 9.651 66 2HB ARG 34 2HB ARG 34 0.604 -12.770 8.737 67 1HG ARG 34 1HG ARG 34 1.573 -12.264 10.889 68 2HG ARG 34 2HG ARG 34 2.566 -11.564 9.598 69 1HD ARG 34 1HD ARG 34 2.349 -9.511 10.499 70 2HD ARG 34 2HD ARG 34 0.574 -9.623 10.491 71 HE ARG 34 HE ARG 34 0.545 -10.129 12.683 72 1HH1 ARG 34 2HH2 ARG 34 3.909 -10.715 11.582 73 2HH1 ARG 34 1HH2 ARG 34 4.551 -10.794 13.170 74 1HH2 ARG 34 2HH1 ARG 34 1.427 -10.167 14.804 75 2HH2 ARG 34 1HH1 ARG 34 3.123 -10.334 15.026 76 H VAL 35 H VAL 35 1.805 -8.630 7.196 77 HA VAL 35 HA VAL 35 4.231 -10.047 6.360 78 HB VAL 35 HB VAL 35 4.161 -9.270 4.067 79 1HG1 VAL 35 1HG1 VAL 35 2.774 -11.444 4.450 80 2HG1 VAL 35 2HG1 VAL 35 1.376 -10.391 4.053 81 3HG1 VAL 35 3HG1 VAL 35 2.723 -10.555 2.941 82 1HG2 VAL 35 1HG2 VAL 35 3.160 -7.223 4.056 83 2HG2 VAL 35 2HG2 VAL 35 1.965 -8.245 3.226 84 3HG2 VAL 35 3HG2 VAL 35 1.759 -7.777 4.960 85 H ASP 36 H ASP 36 5.575 -8.258 5.084 86 HA ASP 36 HA ASP 36 5.616 -5.912 6.898 87 1HB ASP 36 1HB ASP 36 7.950 -6.593 5.210 88 2HB ASP 36 2HB ASP 36 7.820 -5.787 6.795 89 HD2 ASP 36 HD ASP 36 7.873 -9.176 8.262 90 H ILE 37 H ILE 37 4.948 -4.069 5.887 91 HA ILE 37 HA ILE 37 4.359 -3.896 3.014 92 HB ILE 37 HB ILE 37 4.353 -1.741 5.174 93 1HG1 ILE 37 1HG1 ILE 37 1.767 -2.036 4.519 94 2HG1 ILE 37 2HG1 ILE 37 2.278 -3.705 4.213 95 1HG2 ILE 37 1HG2 ILE 37 2.988 -0.486 3.458 96 2HG2 ILE 37 2HG2 ILE 37 4.660 -0.728 2.990 97 3HG2 ILE 37 3HG2 ILE 37 3.403 -1.736 2.263 98 1HD1 ILE 37 1HD1 ILE 37 2.658 -2.254 6.854 99 2HD1 ILE 37 2HD1 ILE 37 1.331 -3.357 6.472 100 3HD1 ILE 37 3HD1 ILE 37 2.982 -3.977 6.533 101 H TYR 38 H TYR 38 5.782 -3.161 1.478 102 HA TYR 38 HA TYR 38 8.469 -2.287 2.379 103 1HB TYR 38 1HB TYR 38 7.655 -4.779 1.183 104 2HB TYR 38 2HB TYR 38 8.625 -3.885 0.007 105 HD1 TYR 38 1HD TYR 38 8.656 -5.469 3.346 106 HD2 TYR 38 2HD TYR 38 10.930 -3.516 0.279 107 HE1 TYR 38 1HE TYR 38 10.725 -6.413 4.309 108 HE2 TYR 38 2HE TYR 38 13.046 -4.400 1.249 109 HH TYR 38 HH TYR 38 12.995 -6.839 3.844 110 H LEU 39 H LEU 39 8.370 -0.179 1.642 111 HA LEU 39 HA LEU 39 6.907 0.331 -0.894 112 1HB LEU 39 1HB LEU 39 6.297 1.821 0.999 113 2HB LEU 39 2HB LEU 39 8.020 2.280 1.145 114 HG LEU 39 HG LEU 39 7.949 3.136 -1.211 115 1HD1 LEU 39 1HD1 LEU 39 5.789 3.543 -2.269 116 2HD1 LEU 39 2HD1 LEU 39 6.027 1.821 -2.095 117 3HD1 LEU 39 3HD1 LEU 39 4.946 2.678 -0.969 118 1HD2 LEU 39 1HD2 LEU 39 6.849 5.156 -0.744 119 2HD2 LEU 39 2HD2 LEU 39 5.864 4.419 0.532 120 3HD2 LEU 39 3HD2 LEU 39 7.630 4.602 0.750 121 H ASN 40 H ASN 40 8.113 0.472 -2.690 122 HA ASN 40 HA ASN 40 9.901 0.800 -4.089 123 1HB ASN 40 1HB ASN 40 10.396 3.040 -2.080 124 2HB ASN 40 2HB ASN 40 11.174 2.933 -3.673 125 1HD2 ASN 40 1HD2 ASN 40 9.546 5.166 -2.757 126 2HD2 ASN 40 2HD2 ASN 40 8.223 5.239 -3.915 127 H ASN 41 H ASN 41 10.146 -1.245 -2.368 128 HA ASN 41 HA ASN 41 11.492 -2.811 -1.661 129 1HB ASN 41 1HB ASN 41 13.410 -1.365 -3.452 130 2HB ASN 41 2HB ASN 41 13.840 -2.854 -2.567 131 1HD2 ASN 41 1HD2 ASN 41 12.109 -1.609 -5.303 132 2HD2 ASN 41 2HD2 ASN 41 11.321 -3.100 -5.773 133 H GLY 42 H GLY 42 11.081 -0.495 0.160 134 1HA GLY 42 1HA GLY 42 13.253 -1.314 2.021 135 2HA GLY 42 2HA GLY 42 12.749 0.374 1.842 136 H TYR 43 H TYR 43 12.428 -1.814 4.063 137 HA TYR 43 HA TYR 43 9.586 -2.438 4.321 138 1HB TYR 43 1HB TYR 43 10.795 -3.909 5.569 139 2HB TYR 43 2HB TYR 43 12.138 -2.800 5.843 140 HD1 TYR 43 1HD TYR 43 12.439 -1.741 7.933 141 HD2 TYR 43 2HD TYR 43 8.635 -3.556 6.977 142 HE1 TYR 43 1HE TYR 43 11.711 -1.430 10.266 143 HE2 TYR 43 2HE TYR 43 7.904 -3.201 9.302 144 HH TYR 43 HH TYR 43 10.002 -2.012 11.884 145 H MET 44 H MET 44 8.046 -1.256 5.300 146 HA MET 44 HA MET 44 8.820 1.371 6.544 147 1HB MET 44 1HB MET 44 6.611 0.704 4.578 148 2HB MET 44 2HB MET 44 6.593 2.182 5.573 149 1HG MET 44 1HG MET 44 8.889 1.402 3.757 150 2HG MET 44 2HG MET 44 7.566 2.477 3.278 151 1HE MET 44 1HE MET 44 10.675 3.063 3.103 152 2HE MET 44 2HE MET 44 9.453 4.236 2.542 153 3HE MET 44 3HE MET 44 10.760 4.758 3.630 154 H ALA 45 H ALA 45 6.517 -1.390 6.703 155 HA ALA 45 HA ALA 45 6.267 -0.978 9.530 156 1HB ALA 45 1HB ALA 45 3.806 -0.521 7.780 157 2HB ALA 45 2HB ALA 45 3.770 -0.799 9.540 158 3HB ALA 45 3HB ALA 45 4.547 0.650 8.889 159 H THR 46 H THR 46 5.285 -2.898 10.507 160 HA THR 46 HA THR 46 4.604 -5.095 8.612 161 HB THR 46 HB THR 46 5.934 -5.388 11.328 162 HG1 THR 46 1HG THR 46 7.757 -5.867 10.260 163 1HG2 THR 46 1HG2 THR 46 4.503 -7.305 10.613 164 2HG2 THR 46 2HG2 THR 46 5.411 -7.384 9.078 165 3HG2 THR 46 3HG2 THR 46 6.218 -7.727 10.599 166 H ARG 47 H ARG 47 2.636 -6.026 9.027 167 HA ARG 47 HA ARG 47 1.338 -6.012 11.513 168 1HB ARG 47 1HB ARG 47 -0.595 -4.447 10.310 169 2HB ARG 47 2HB ARG 47 0.461 -3.980 11.659 170 1HG ARG 47 1HG ARG 47 1.755 -2.580 10.314 171 2HG ARG 47 2HG ARG 47 1.321 -3.428 8.811 172 1HD ARG 47 1HD ARG 47 0.253 -1.252 8.868 173 2HD ARG 47 2HD ARG 47 -0.952 -2.548 8.935 174 HE ARG 47 HE ARG 47 -0.010 -1.002 11.320 175 1HH1 ARG 47 2HH2 ARG 47 -2.793 -2.523 9.571 176 2HH1 ARG 47 1HH2 ARG 47 -3.808 -2.333 10.963 177 1HH2 ARG 47 2HH1 ARG 47 -1.602 -0.412 12.866 178 2HH2 ARG 47 1HH1 ARG 47 -3.244 -0.872 12.588 179 H ASP 48 H ASP 48 -1.222 -6.266 10.779 180 HA ASP 48 HA ASP 48 -1.213 -8.214 8.631 181 1HB ASP 48 1HB ASP 48 -3.336 -8.906 9.243 182 2HB ASP 48 2HB ASP 48 -2.543 -8.596 10.798 183 HD2 ASP 48 HD ASP 48 -5.915 -6.981 10.440 184 H VAL 49 H VAL 49 -2.610 -7.691 6.538 185 HA VAL 49 HA VAL 49 -3.469 -4.876 6.420 186 HB VAL 49 HB VAL 49 -2.057 -6.370 4.377 187 1HG1 VAL 49 1HG1 VAL 49 -2.709 -3.459 4.495 188 2HG1 VAL 49 2HG1 VAL 49 -1.679 -4.242 3.273 189 3HG1 VAL 49 3HG1 VAL 49 -3.386 -4.751 3.443 190 1HG2 VAL 49 1HG2 VAL 49 -0.067 -4.829 4.771 191 2HG2 VAL 49 2HG2 VAL 49 -0.852 -4.333 6.266 192 3HG2 VAL 49 3HG2 VAL 49 -0.325 -6.022 6.050 193 H THR 50 H THR 50 -5.616 -5.138 6.321 194 HA THR 50 HA THR 50 -6.879 -7.556 5.377 195 HB THR 50 HB THR 50 -8.042 -4.803 5.858 196 HG1 THR 50 1HG THR 50 -7.146 -6.820 7.565 197 1HG2 THR 50 1HG2 THR 50 -9.266 -7.589 6.075 198 2HG2 THR 50 2HG2 THR 50 -10.077 -6.049 6.448 199 3HG2 THR 50 3HG2 THR 50 -9.606 -6.394 4.785 200 H PHE 51 H PHE 51 -7.912 -7.870 3.233 201 HA PHE 51 HA PHE 51 -7.402 -5.838 1.244 202 1HB PHE 51 1HB PHE 51 -6.528 -7.646 -0.251 203 2HB PHE 51 2HB PHE 51 -5.419 -7.192 1.050 204 HD1 PHE 51 1HD PHE 51 -4.912 -8.753 2.851 205 HD2 PHE 51 2HD PHE 51 -7.675 -9.845 -0.231 206 HE1 PHE 51 1HE PHE 51 -4.705 -11.193 3.454 207 HE2 PHE 51 2HE PHE 51 -7.278 -12.237 0.299 208 HZ PHE 51 HZ PHE 51 -5.916 -12.882 2.253 209 H ASN 52 H ASN 52 -8.843 -6.117 -0.484 210 HA ASN 52 HA ASN 52 -11.114 -8.021 -0.061 211 1HB ASN 52 1HB ASN 52 -11.211 -5.044 -0.574 212 2HB ASN 52 2HB ASN 52 -12.590 -6.145 -0.800 213 1HD2 ASN 52 1HD2 ASN 52 -10.229 -5.202 1.713 214 2HD2 ASN 52 2HD2 ASN 52 -11.363 -4.969 2.987 215 H THR 53 H THR 53 -12.414 -8.247 -2.071 216 HA THR 53 HA THR 53 -10.688 -9.095 -4.146 217 HB THR 53 HB THR 53 -13.366 -9.258 -4.976 218 HG1 THR 53 1HG THR 53 -14.430 -10.057 -3.161 219 1HG2 THR 53 1HG2 THR 53 -11.828 -11.080 -5.190 220 2HG2 THR 53 2HG2 THR 53 -11.581 -11.180 -3.452 221 3HG2 THR 53 3HG2 THR 53 -13.150 -11.644 -4.163 222 H GLY 54 H GLY 54 -9.965 -8.128 -5.866 223 1HA GLY 54 1HA GLY 54 -11.268 -5.973 -7.313 224 2HA GLY 54 2HA GLY 54 -9.828 -5.480 -6.398 225 H ASP 55 H ASP 55 -8.076 -5.563 -7.691 226 HA ASP 55 HA ASP 55 -7.662 -7.814 -9.537 227 1HB ASP 55 1HB ASP 55 -7.428 -6.093 -11.399 228 2HB ASP 55 2HB ASP 55 -9.051 -6.621 -10.906 229 HD2 ASP 55 HD ASP 55 -8.213 -2.819 -9.924 230 H SER 56 H SER 56 -5.605 -8.150 -9.914 231 HA SER 56 HA SER 56 -3.304 -6.795 -9.973 232 1HB SER 56 1HB SER 56 -4.028 -7.521 -7.087 233 2HB SER 56 2HB SER 56 -2.340 -7.325 -7.633 234 HG SER 56 HG SER 56 -4.416 -5.434 -7.853 235 H GLU 57 H GLU 57 -1.497 -8.468 -9.134 236 HA GLU 57 HA GLU 57 -1.364 -10.754 -10.538 237 1HB GLU 57 1HB GLU 57 -0.336 -9.920 -7.840 238 2HB GLU 57 2HB GLU 57 -0.070 -11.597 -8.370 239 1HG GLU 57 1HG GLU 57 0.686 -9.572 -10.390 240 2HG GLU 57 2HG GLU 57 1.606 -9.462 -8.862 241 HE2 GLU 57 HE GLU 57 2.436 -12.450 -11.277 242 H GLN 58 H GLN 58 -2.592 -10.596 -7.217 243 HA GLN 58 HA GLN 58 -3.667 -13.344 -7.463 244 1HB GLN 58 1HB GLN 58 -3.811 -12.284 -4.802 245 2HB GLN 58 2HB GLN 58 -2.924 -13.688 -5.436 246 1HG GLN 58 1HG GLN 58 -1.329 -12.349 -4.342 247 2HG GLN 58 2HG GLN 58 -1.051 -12.051 -6.051 248 1HE2 GLN 58 1HE2 GLN 58 -2.054 -10.704 -2.994 249 2HE2 GLN 58 2HE2 GLN 58 -2.136 -9.019 -3.566 250 H GLY 59 H GLY 59 -5.007 -10.533 -8.065 251 1HA GLY 59 1HA GLY 59 -7.157 -9.975 -8.456 252 2HA GLY 59 2HA GLY 59 -7.607 -11.490 -7.658 253 H ILE 60 H ILE 60 -5.792 -9.463 -5.594 254 HA ILE 60 HA ILE 60 -8.192 -8.346 -4.261 255 HB ILE 60 HB ILE 60 -6.974 -9.185 -2.107 256 1HG1 ILE 60 1HG1 ILE 60 -6.030 -11.397 -3.968 257 2HG1 ILE 60 2HG1 ILE 60 -4.960 -10.054 -3.523 258 1HG2 ILE 60 1HG2 ILE 60 -8.497 -11.140 -3.914 259 2HG2 ILE 60 2HG2 ILE 60 -8.251 -11.358 -2.180 260 3HG2 ILE 60 3HG2 ILE 60 -9.192 -9.985 -2.758 261 1HD1 ILE 60 1HD1 ILE 60 -6.169 -12.077 -1.631 262 2HD1 ILE 60 2HD1 ILE 60 -4.478 -11.924 -2.129 263 3HD1 ILE 60 3HD1 ILE 60 -5.170 -10.653 -1.152 264 H VAL 61 H VAL 61 -7.699 -6.415 -3.073 265 HA VAL 61 HA VAL 61 -4.854 -5.616 -3.187 266 HB VAL 61 HB VAL 61 -5.376 -3.390 -3.841 267 1HG1 VAL 61 1HG1 VAL 61 -4.898 -5.207 -5.518 268 2HG1 VAL 61 2HG1 VAL 61 -6.637 -5.311 -5.836 269 3HG1 VAL 61 3HG1 VAL 61 -5.770 -3.803 -6.169 270 1HG2 VAL 61 1HG2 VAL 61 -7.644 -3.056 -3.063 271 2HG2 VAL 61 2HG2 VAL 61 -7.559 -2.756 -4.789 272 3HG2 VAL 61 3HG2 VAL 61 -8.262 -4.278 -4.215 273 HA PRO 62 HA PRO 62 -5.331 -4.927 1.154 274 1HB PRO 62 1HB PRO 62 -3.288 -3.246 1.618 275 2HB PRO 62 2HB PRO 62 -3.154 -5.006 1.275 276 1HG PRO 62 1HG PRO 62 -2.689 -2.709 -0.589 277 2HG PRO 62 2HG PRO 62 -1.740 -4.225 -0.388 278 1HD PRO 62 1HD PRO 62 -3.590 -3.844 -2.381 279 2HD PRO 62 2HD PRO 62 -3.249 -5.441 -1.656 280 H CYS 63 H CYS 63 -6.082 -3.659 2.597 281 HA CYS 63 HA CYS 63 -7.412 -1.103 2.234 282 1HB CYS 63 1HB CYS 63 -6.651 -2.857 4.578 283 2HB CYS 63 2HB CYS 63 -7.383 -1.244 4.770 284 HG CYS 63 HG CYS 63 -9.145 -3.087 5.345 285 H LEU 64 H LEU 64 -5.977 0.629 1.838 286 HA LEU 64 HA LEU 64 -3.636 0.891 3.647 287 1HB LEU 64 1HB LEU 64 -3.690 1.599 0.695 288 2HB LEU 64 2HB LEU 64 -2.427 2.041 1.863 289 HG LEU 64 HG LEU 64 -3.147 -0.847 1.340 290 1HD1 LEU 64 1HD1 LEU 64 -2.664 0.137 -0.857 291 2HD1 LEU 64 2HD1 LEU 64 -1.135 0.814 -0.222 292 3HD1 LEU 64 3HD1 LEU 64 -1.351 -0.939 -0.345 293 1HD2 LEU 64 1HD2 LEU 64 -0.576 0.493 2.273 294 2HD2 LEU 64 2HD2 LEU 64 -1.728 -0.392 3.299 295 3HD2 LEU 64 3HD2 LEU 64 -0.815 -1.251 2.045 296 H THR 65 H THR 65 -4.192 2.537 4.912 297 HA THR 65 HA THR 65 -6.443 4.209 4.082 298 HB THR 65 HB THR 65 -6.681 4.711 6.344 299 HG1 THR 65 1HG THR 65 -4.975 4.125 7.852 300 1HG2 THR 65 1HG2 THR 65 -5.573 1.855 6.247 301 2HG2 THR 65 2HG2 THR 65 -6.498 2.532 7.574 302 3HG2 THR 65 3HG2 THR 65 -7.233 2.352 5.957 303 H ARG 66 H ARG 66 -6.289 6.674 4.804 304 HA ARG 66 HA ARG 66 -4.129 7.844 3.348 305 1HB ARG 66 1HB ARG 66 -6.231 9.055 3.799 306 2HB ARG 66 2HB ARG 66 -5.882 9.089 5.531 307 1HG ARG 66 1HG ARG 66 -4.190 10.655 5.296 308 2HG ARG 66 2HG ARG 66 -3.748 10.086 3.661 309 1HD ARG 66 1HD ARG 66 -4.944 11.661 2.690 310 2HD ARG 66 2HD ARG 66 -6.395 11.234 3.594 311 HE ARG 66 HE ARG 66 -4.256 13.086 4.550 312 1HH1 ARG 66 2HH2 ARG 66 -7.670 11.997 4.898 313 2HH1 ARG 66 1HH2 ARG 66 -8.174 13.506 5.565 314 1HH2 ARG 66 2HH1 ARG 66 -4.941 14.942 5.735 315 2HH2 ARG 66 1HH1 ARG 66 -6.581 15.049 6.238 316 H ALA 67 H ALA 67 -4.548 7.112 6.831 317 HA ALA 67 HA ALA 67 -2.180 8.429 7.603 318 1HB ALA 67 1HB ALA 67 -2.212 7.002 9.634 319 2HB ALA 67 2HB ALA 67 -3.791 7.747 9.320 320 3HB ALA 67 3HB ALA 67 -3.524 6.027 8.919 321 H GLN 68 H GLN 68 -2.795 4.976 6.806 322 HA GLN 68 HA GLN 68 -0.261 3.930 7.293 323 1HB GLN 68 1HB GLN 68 -2.349 3.245 5.187 324 2HB GLN 68 2HB GLN 68 -0.974 2.199 5.542 325 1HG GLN 68 1HG GLN 68 -2.890 3.075 7.710 326 2HG GLN 68 2HG GLN 68 -3.268 1.711 6.633 327 1HE2 GLN 68 1HE2 GLN 68 -3.295 0.172 8.253 328 2HE2 GLN 68 2HE2 GLN 68 -1.831 -0.320 9.080 329 H LEU 69 H LEU 69 -1.474 5.354 4.206 330 HA LEU 69 HA LEU 69 0.987 4.860 2.803 331 1HB LEU 69 1HB LEU 69 -1.146 6.955 2.283 332 2HB LEU 69 2HB LEU 69 0.116 6.447 1.137 333 HG LEU 69 HG LEU 69 -1.902 4.521 2.304 334 1HD1 LEU 69 1HD1 LEU 69 -3.130 6.253 1.086 335 2HD1 LEU 69 2HD1 LEU 69 -2.017 6.115 -0.285 336 3HD1 LEU 69 3HD1 LEU 69 -3.113 4.762 0.130 337 1HD2 LEU 69 1HD2 LEU 69 -0.145 3.302 1.542 338 2HD2 LEU 69 2HD2 LEU 69 -1.380 3.194 0.331 339 3HD2 LEU 69 3HD2 LEU 69 0.039 4.258 0.034 340 H ALA 70 H ALA 70 -0.289 7.766 4.517 341 HA ALA 70 HA ALA 70 2.013 9.381 4.056 342 1HB ALA 70 1HB ALA 70 -0.126 10.311 4.793 343 2HB ALA 70 2HB ALA 70 -0.003 9.424 6.334 344 3HB ALA 70 3HB ALA 70 1.169 10.698 5.949 345 H SER 71 H SER 71 1.515 6.620 6.200 346 HA SER 71 HA SER 71 3.605 7.365 8.089 347 1HB SER 71 1HB SER 71 2.320 4.698 7.448 348 2HB SER 71 2HB SER 71 3.575 4.935 8.702 349 HG SER 71 HG SER 71 1.816 5.153 9.798 350 H MET 72 H MET 72 3.562 5.745 4.949 351 HA MET 72 HA MET 72 6.382 4.956 5.019 352 1HB MET 72 1HB MET 72 5.093 5.347 2.412 353 2HB MET 72 2HB MET 72 6.030 3.990 3.015 354 1HG MET 72 1HG MET 72 3.652 3.772 4.419 355 2HG MET 72 2HG MET 72 3.184 4.527 2.853 356 1HE MET 72 1HE MET 72 1.842 1.323 1.896 357 2HE MET 72 2HE MET 72 1.642 2.553 3.170 358 3HE MET 72 3HE MET 72 2.032 3.063 1.505 359 H GLY 73 H GLY 73 4.776 7.932 4.876 360 1HA GLY 73 1HA GLY 73 5.845 9.988 4.597 361 2HA GLY 73 2HA GLY 73 7.014 9.257 3.487 362 H LEU 74 H LEU 74 3.827 8.156 2.603 363 HA LEU 74 HA LEU 74 4.122 9.321 0.130 364 1HB LEU 74 1HB LEU 74 2.710 7.590 0.011 365 2HB LEU 74 2HB LEU 74 1.753 8.125 1.407 366 HG LEU 74 HG LEU 74 1.586 10.025 -0.850 367 1HD1 LEU 74 1HD1 LEU 74 0.176 8.844 -2.286 368 2HD1 LEU 74 2HD1 LEU 74 1.835 8.251 -2.276 369 3HD1 LEU 74 3HD1 LEU 74 0.561 7.301 -1.449 370 1HD2 LEU 74 1HD2 LEU 74 0.217 9.791 1.328 371 2HD2 LEU 74 2HD2 LEU 74 -0.577 10.200 -0.199 372 3HD2 LEU 74 3HD2 LEU 74 -0.668 8.536 0.444 373 H ASN 75 H ASN 75 3.472 11.249 -0.823 374 HA ASN 75 HA ASN 75 2.588 13.482 0.906 375 1HB ASN 75 1HB ASN 75 4.464 13.567 -0.929 376 2HB ASN 75 2HB ASN 75 3.150 13.750 -2.063 377 1HD2 ASN 75 1HD2 ASN 75 2.874 15.986 -2.516 378 2HD2 ASN 75 2HD2 ASN 75 2.974 17.213 -1.246 379 H THR 76 H THR 76 0.298 12.975 1.274 380 HA THR 76 HA THR 76 -1.491 12.266 -0.826 381 HB THR 76 HB THR 76 -3.202 13.123 0.876 382 HG1 THR 76 1HG THR 76 -1.688 13.512 2.964 383 1HG2 THR 76 1HG2 THR 76 -2.344 10.833 1.238 384 2HG2 THR 76 2HG2 THR 76 -0.974 11.489 2.174 385 3HG2 THR 76 3HG2 THR 76 -2.609 11.675 2.771 386 H ALA 77 H ALA 77 -0.115 15.437 0.009 387 HA ALA 77 HA ALA 77 -2.137 16.958 -1.317 388 1HB ALA 77 1HB ALA 77 -0.478 17.927 0.258 389 2HB ALA 77 2HB ALA 77 0.795 17.657 -0.959 390 3HB ALA 77 3HB ALA 77 -0.545 18.770 -1.298 391 H SER 78 H SER 78 0.563 14.976 -2.648 392 HA SER 78 HA SER 78 0.825 16.511 -5.042 393 1HB SER 78 1HB SER 78 1.453 13.599 -4.448 394 2HB SER 78 2HB SER 78 1.994 14.492 -5.894 395 HG SER 78 HG SER 78 3.617 14.748 -4.587 396 H VAL 79 H VAL 79 -1.575 14.161 -4.017 397 HA VAL 79 HA VAL 79 -2.543 13.768 -6.764 398 HB VAL 79 HB VAL 79 -1.543 11.942 -6.005 399 1HG1 VAL 79 1HG1 VAL 79 -2.315 12.245 -3.179 400 2HG1 VAL 79 2HG1 VAL 79 -1.642 10.752 -3.887 401 3HG1 VAL 79 3HG1 VAL 79 -0.702 12.212 -3.963 402 1HG2 VAL 79 1HG2 VAL 79 -3.746 11.387 -6.800 403 2HG2 VAL 79 2HG2 VAL 79 -3.200 10.195 -5.616 404 3HG2 VAL 79 3HG2 VAL 79 -4.388 11.439 -5.146 405 H ALA 80 H ALA 80 -3.987 15.357 -6.952 406 HA ALA 80 HA ALA 80 -5.093 16.718 -4.771 407 1HB ALA 80 1HB ALA 80 -4.469 17.805 -6.860 408 2HB ALA 80 2HB ALA 80 -5.724 16.903 -7.741 409 3HB ALA 80 3HB ALA 80 -6.186 18.094 -6.514 410 H GLY 81 H GLY 81 -6.229 15.110 -3.614 411 1HA GLY 81 1HA GLY 81 -8.913 14.757 -3.411 412 2HA GLY 81 2HA GLY 81 -8.553 13.802 -4.868 413 H MET 82 H MET 82 -5.791 13.656 -2.850 414 HA MET 82 HA MET 82 -6.779 11.184 -1.577 415 1HB MET 82 1HB MET 82 -4.544 11.353 -2.718 416 2HB MET 82 2HB MET 82 -4.014 12.388 -1.382 417 1HG MET 82 1HG MET 82 -4.398 10.678 0.237 418 2HG MET 82 2HG MET 82 -5.317 9.680 -0.902 419 1HE MET 82 1HE MET 82 -3.691 9.718 -3.502 420 2HE MET 82 2HE MET 82 -2.741 8.246 -3.272 421 3HE MET 82 3HE MET 82 -4.451 8.325 -2.729 422 H ASN 83 H ASN 83 -5.890 14.528 -0.734 423 HA ASN 83 HA ASN 83 -5.413 14.025 2.010 424 1HB ASN 83 1HB ASN 83 -5.161 16.287 2.307 425 2HB ASN 83 2HB ASN 83 -4.661 16.023 0.642 426 1HD2 ASN 83 1HD2 ASN 83 -5.804 17.090 -1.020 427 2HD2 ASN 83 2HD2 ASN 83 -6.888 18.396 -0.621 428 H LEU 84 H LEU 84 -8.314 13.327 0.759 429 HA LEU 84 HA LEU 84 -9.838 14.400 3.026 430 1HB LEU 84 1HB LEU 84 -11.789 14.283 1.350 431 2HB LEU 84 2HB LEU 84 -10.761 15.712 1.543 432 HG LEU 84 HG LEU 84 -11.414 15.205 -0.757 433 1HD1 LEU 84 1HD1 LEU 84 -9.087 16.170 0.130 434 2HD1 LEU 84 2HD1 LEU 84 -8.478 14.868 -0.890 435 3HD1 LEU 84 3HD1 LEU 84 -9.525 16.120 -1.590 436 1HD2 LEU 84 1HD2 LEU 84 -10.592 13.344 -2.006 437 2HD2 LEU 84 2HD2 LEU 84 -9.640 12.752 -0.623 438 3HD2 LEU 84 3HD2 LEU 84 -11.412 12.723 -0.577 439 H LEU 85 H LEU 85 -8.480 11.679 1.873 440 HA LEU 85 HA LEU 85 -10.691 9.764 2.171 441 1HB LEU 85 1HB LEU 85 -7.689 9.703 1.822 442 2HB LEU 85 2HB LEU 85 -8.528 8.255 2.419 443 HG LEU 85 HG LEU 85 -7.948 8.329 0.041 444 1HD1 LEU 85 1HD1 LEU 85 -10.051 7.295 -0.767 445 2HD1 LEU 85 2HD1 LEU 85 -9.669 6.747 0.855 446 3HD1 LEU 85 3HD1 LEU 85 -10.928 7.984 0.609 447 1HD2 LEU 85 1HD2 LEU 85 -9.147 9.372 -1.629 448 2HD2 LEU 85 2HD2 LEU 85 -10.207 10.200 -0.442 449 3HD2 LEU 85 3HD2 LEU 85 -8.479 10.586 -0.532 450 H ALA 86 H ALA 86 -10.977 8.509 4.046 451 HA ALA 86 HA ALA 86 -10.243 9.708 6.526 452 1HB ALA 86 1HB ALA 86 -11.487 6.976 6.001 453 2HB ALA 86 2HB ALA 86 -11.536 7.905 7.511 454 3HB ALA 86 3HB ALA 86 -12.376 8.523 6.094 455 H ASP 87 H ASP 87 -9.390 8.492 8.343 456 HA ASP 87 HA ASP 87 -6.719 7.531 7.906 457 1HB ASP 87 1HB ASP 87 -8.432 7.687 10.409 458 2HB ASP 87 2HB ASP 87 -6.688 7.324 10.373 459 HD2 ASP 87 HD ASP 87 -5.899 10.656 9.554 460 H ASP 88 H ASP 88 -9.748 5.965 7.840 461 HA ASP 88 HA ASP 88 -8.437 3.293 7.986 462 1HB ASP 88 1HB ASP 88 -10.848 4.307 9.454 463 2HB ASP 88 2HB ASP 88 -10.827 2.623 8.877 464 HD2 ASP 88 HD ASP 88 -8.376 1.658 11.145 465 H ALA 89 H ALA 89 -8.776 4.987 5.688 466 HA ALA 89 HA ALA 89 -11.156 3.947 4.271 467 1HB ALA 89 1HB ALA 89 -8.978 5.880 3.392 468 2HB ALA 89 2HB ALA 89 -10.465 5.480 2.494 469 3HB ALA 89 3HB ALA 89 -10.578 6.317 4.044 470 H CYS 90 H CYS 90 -10.880 3.116 2.029 471 HA CYS 90 HA CYS 90 -8.432 1.410 1.706 472 1HB CYS 90 1HB CYS 90 -11.175 1.239 0.449 473 2HB CYS 90 2HB CYS 90 -9.789 0.203 0.031 474 HG CYS 90 HG CYS 90 -11.534 -1.176 1.389 475 H VAL 91 H VAL 91 -7.638 3.892 1.258 476 HA VAL 91 HA VAL 91 -8.264 5.354 -0.869 477 HB VAL 91 HB VAL 91 -5.417 4.739 0.027 478 1HG1 VAL 91 1HG1 VAL 91 -4.939 7.056 -0.591 479 2HG1 VAL 91 2HG1 VAL 91 -5.594 6.176 -1.973 480 3HG1 VAL 91 3HG1 VAL 91 -6.616 7.302 -1.120 481 1HG2 VAL 91 1HG2 VAL 91 -7.450 6.585 1.329 482 2HG2 VAL 91 2HG2 VAL 91 -6.660 5.212 2.069 483 3HG2 VAL 91 3HG2 VAL 91 -5.704 6.629 1.653 484 HA PRO 92 HA PRO 92 -7.259 2.766 -4.429 485 1HB PRO 92 1HB PRO 92 -7.445 4.609 -6.427 486 2HB PRO 92 2HB PRO 92 -8.871 4.030 -5.532 487 1HG PRO 92 1HG PRO 92 -7.223 6.516 -4.980 488 2HG PRO 92 2HG PRO 92 -8.995 6.386 -5.227 489 1HD PRO 92 1HD PRO 92 -7.940 6.422 -2.734 490 2HD PRO 92 2HD PRO 92 -9.268 5.293 -3.131 491 H LEU 93 H LEU 93 -5.046 2.674 -3.305 492 HA LEU 93 HA LEU 93 -2.894 4.362 -4.197 493 1HB LEU 93 1HB LEU 93 -3.064 3.013 -2.085 494 2HB LEU 93 2HB LEU 93 -2.772 1.554 -3.021 495 HG LEU 93 HG LEU 93 -0.915 2.705 -1.652 496 1HD1 LEU 93 1HD1 LEU 93 -0.197 1.715 -4.366 497 2HD1 LEU 93 2HD1 LEU 93 0.849 1.861 -2.930 498 3HD1 LEU 93 3HD1 LEU 93 -0.531 0.759 -2.892 499 1HD2 LEU 93 1HD2 LEU 93 -0.541 4.405 -4.119 500 2HD2 LEU 93 2HD2 LEU 93 -0.955 4.978 -2.480 501 3HD2 LEU 93 3HD2 LEU 93 0.587 4.214 -2.784 502 H THR 94 H THR 94 -4.423 1.723 -5.826 503 HA THR 94 HA THR 94 -2.261 1.816 -7.846 504 HB THR 94 HB THR 94 -3.027 -0.566 -8.259 505 HG1 THR 94 1HG THR 94 -4.948 -0.846 -7.090 506 1HG2 THR 94 1HG2 THR 94 -1.997 -0.056 -5.450 507 2HG2 THR 94 2HG2 THR 94 -1.629 -1.388 -6.564 508 3HG2 THR 94 3HG2 THR 94 -1.036 0.256 -6.898 509 H THR 95 H THR 95 -4.766 3.524 -7.471 510 HA THR 95 HA THR 95 -5.411 3.449 -10.364 511 HB THR 95 HB THR 95 -7.256 3.581 -8.014 512 HG1 THR 95 1HG THR 95 -7.793 2.377 -10.454 513 1HG2 THR 95 1HG2 THR 95 -7.892 4.754 -10.732 514 2HG2 THR 95 2HG2 THR 95 -9.080 4.363 -9.458 515 3HG2 THR 95 3HG2 THR 95 -7.881 5.615 -9.180 516 H MET 96 H MET 96 -5.761 5.648 -7.411 517 HA MET 96 HA MET 96 -5.414 7.963 -9.071 518 1HB MET 96 1HB MET 96 -5.384 7.531 -6.076 519 2HB MET 96 2HB MET 96 -4.983 9.116 -6.826 520 1HG MET 96 1HG MET 96 -7.204 8.873 -8.058 521 2HG MET 96 2HG MET 96 -7.620 7.694 -6.833 522 1HE MET 96 1HE MET 96 -5.667 9.555 -4.450 523 2HE MET 96 2HE MET 96 -7.049 10.246 -3.606 524 3HE MET 96 3HE MET 96 -7.062 8.524 -4.037 525 H VAL 97 H VAL 97 -3.035 5.811 -7.734 526 HA VAL 97 HA VAL 97 -0.932 7.872 -8.164 527 HB VAL 97 HB VAL 97 -0.814 5.391 -6.435 528 1HG1 VAL 97 1HG1 VAL 97 1.247 6.364 -5.572 529 2HG1 VAL 97 2HG1 VAL 97 1.355 6.153 -7.327 530 3HG1 VAL 97 3HG1 VAL 97 1.081 7.757 -6.664 531 1HG2 VAL 97 1HG2 VAL 97 -1.420 8.273 -5.650 532 2HG2 VAL 97 2HG2 VAL 97 -2.386 6.829 -5.330 533 3HG2 VAL 97 3HG2 VAL 97 -0.840 7.053 -4.506 534 H GLN 98 H GLN 98 -0.177 7.638 -10.171 535 HA GLN 98 HA GLN 98 -0.346 5.110 -11.600 536 1HB GLN 98 1HB GLN 98 -0.325 7.658 -12.471 537 2HB GLN 98 2HB GLN 98 1.424 7.408 -12.500 538 1HG GLN 98 1HG GLN 98 0.342 6.945 -14.702 539 2HG GLN 98 2HG GLN 98 1.138 5.506 -14.056 540 1HE2 GLN 98 1HE2 GLN 98 -0.132 3.650 -14.236 541 2HE2 GLN 98 2HE2 GLN 98 -1.876 3.639 -13.925 542 H ASP 99 H ASP 99 1.698 4.084 -12.481 543 HA ASP 99 HA ASP 99 3.640 3.032 -12.266 544 1HB ASP 99 1HB ASP 99 4.390 5.568 -11.819 545 2HB ASP 99 2HB ASP 99 4.831 4.899 -10.244 546 HD2 ASP 99 HD ASP 99 7.522 3.150 -11.648 547 H ALA 100 H ALA 100 2.083 3.995 -9.280 548 HA ALA 100 HA ALA 100 3.437 2.288 -7.507 549 1HB ALA 100 1HB ALA 100 2.130 4.165 -6.673 550 2HB ALA 100 2HB ALA 100 0.637 3.509 -7.422 551 3HB ALA 100 3HB ALA 100 1.386 2.700 -6.044 552 H THR 101 H THR 101 2.543 0.583 -6.302 553 HA THR 101 HA THR 101 0.464 -1.145 -7.443 554 HB THR 101 HB THR 101 2.080 -3.154 -7.316 555 HG1 THR 101 1HG THR 101 4.102 -1.418 -8.173 556 1HG2 THR 101 1HG2 THR 101 2.478 -1.256 -9.655 557 2HG2 THR 101 2HG2 THR 101 2.588 -3.039 -9.631 558 3HG2 THR 101 3HG2 THR 101 1.033 -2.243 -9.393 559 H ALA 102 H ALA 102 0.005 -2.984 -5.915 560 HA ALA 102 HA ALA 102 1.465 -3.056 -3.410 561 1HB ALA 102 1HB ALA 102 -0.559 -3.101 -2.053 562 2HB ALA 102 2HB ALA 102 -0.467 -1.555 -2.913 563 3HB ALA 102 3HB ALA 102 -1.582 -2.820 -3.464 564 H HIS 103 H HIS 103 2.068 -5.070 -3.322 565 HA HIS 103 HA HIS 103 0.602 -7.310 -4.731 566 1HB HIS 103 1HB HIS 103 2.423 -6.304 -6.075 567 2HB HIS 103 2HB HIS 103 3.567 -6.488 -4.739 568 HD1 HIS 103 1HD HIS 103 3.837 -7.831 -7.734 569 HD2 HIS 103 2HD HIS 103 3.268 -9.517 -3.957 570 HE1 HIS 103 1HE HIS 103 4.629 -10.224 -7.853 571 HE2 HIS 103 2HE HIS 103 4.103 -11.339 -5.630 572 H LEU 104 H LEU 104 0.032 -8.639 -3.036 573 HA LEU 104 HA LEU 104 1.662 -8.975 -0.614 574 1HB LEU 104 1HB LEU 104 -0.638 -9.249 -0.295 575 2HB LEU 104 2HB LEU 104 -0.794 -10.328 -1.697 576 HG LEU 104 HG LEU 104 0.620 -12.039 -0.442 577 1HD1 LEU 104 1HD1 LEU 104 0.283 -9.945 1.721 578 2HD1 LEU 104 2HD1 LEU 104 0.777 -11.638 2.010 579 3HD1 LEU 104 3HD1 LEU 104 1.772 -10.547 1.016 580 1HD2 LEU 104 1HD2 LEU 104 -1.269 -12.591 1.175 581 2HD2 LEU 104 2HD2 LEU 104 -2.100 -11.175 0.476 582 3HD2 LEU 104 3HD2 LEU 104 -1.624 -12.515 -0.563 583 H ASP 105 H ASP 105 3.664 -9.951 -0.947 584 HA ASP 105 HA ASP 105 3.865 -12.476 -2.475 585 1HB ASP 105 1HB ASP 105 5.729 -10.709 -2.481 586 2HB ASP 105 2HB ASP 105 5.992 -11.113 -0.770 587 HD2 ASP 105 HD ASP 105 8.212 -13.226 -2.662 588 H VAL 106 H VAL 106 2.296 -13.741 -1.047 589 HA VAL 106 HA VAL 106 2.795 -13.851 1.752 590 HB VAL 106 HB VAL 106 0.757 -14.465 0.331 591 1HG1 VAL 106 1HG1 VAL 106 1.750 -16.071 -1.197 592 2HG1 VAL 106 2HG1 VAL 106 2.075 -17.178 0.144 593 3HG1 VAL 106 3HG1 VAL 106 0.396 -16.758 -0.306 594 1HG2 VAL 106 1HG2 VAL 106 -0.063 -15.959 2.078 595 2HG2 VAL 106 2HG2 VAL 106 1.615 -16.197 2.648 596 3HG2 VAL 106 3HG2 VAL 106 0.866 -14.596 2.726 597 H GLY 107 H GLY 107 4.603 -15.083 -0.945 598 1HA GLY 107 1HA GLY 107 5.459 -17.487 0.319 599 2HA GLY 107 2HA GLY 107 6.173 -16.729 -1.141 600 H GLN 108 H GLN 108 6.697 -14.167 -0.078 601 HA GLN 108 HA GLN 108 8.890 -14.764 1.835 602 1HB GLN 108 1HB GLN 108 9.174 -13.742 -0.560 603 2HB GLN 108 2HB GLN 108 8.699 -12.217 0.185 604 1HG GLN 108 1HG GLN 108 11.166 -12.527 0.047 605 2HG GLN 108 2HG GLN 108 10.646 -12.346 1.716 606 1HE2 GLN 108 1HE2 GLN 108 11.095 -14.052 3.161 607 2HE2 GLN 108 2HE2 GLN 108 11.378 -15.708 2.606 608 H GLN 109 H GLN 109 5.884 -13.824 2.208 609 HA GLN 109 HA GLN 109 4.663 -12.425 3.461 610 1HB GLN 109 1HB GLN 109 6.949 -12.817 5.415 611 2HB GLN 109 2HB GLN 109 5.395 -12.020 5.780 612 1HG GLN 109 1HG GLN 109 4.286 -14.171 4.904 613 2HG GLN 109 2HG GLN 109 5.902 -14.896 4.950 614 1HE2 GLN 109 1HE2 GLN 109 3.415 -13.225 7.033 615 2HE2 GLN 109 2HE2 GLN 109 3.814 -14.201 8.428 616 H ARG 110 H ARG 110 5.646 -11.084 1.524 617 HA ARG 110 HA ARG 110 6.565 -8.513 2.684 618 1HB ARG 110 1HB ARG 110 8.397 -9.822 1.581 619 2HB ARG 110 2HB ARG 110 7.499 -9.639 0.063 620 1HG ARG 110 1HG ARG 110 7.459 -7.080 0.792 621 2HG ARG 110 2HG ARG 110 8.838 -7.541 1.786 622 1HD ARG 110 1HD ARG 110 9.066 -8.515 -0.979 623 2HD ARG 110 2HD ARG 110 8.813 -6.755 -0.888 624 HE ARG 110 HE ARG 110 10.911 -7.909 0.797 625 1HH1 ARG 110 2HH2 ARG 110 10.110 -6.102 -2.199 626 2HH1 ARG 110 1HH2 ARG 110 11.730 -5.642 -2.531 627 1HH2 ARG 110 2HH1 ARG 110 13.100 -7.477 0.203 628 2HH2 ARG 110 1HH1 ARG 110 13.473 -6.379 -1.086 629 H LEU 111 H LEU 111 4.997 -7.045 2.434 630 HA LEU 111 HA LEU 111 3.195 -7.313 0.119 631 1HB LEU 111 1HB LEU 111 1.938 -6.677 1.966 632 2HB LEU 111 2HB LEU 111 3.124 -5.499 2.515 633 HG LEU 111 HG LEU 111 2.590 -4.108 0.547 634 1HD1 LEU 111 1HD1 LEU 111 1.920 -5.570 -1.118 635 2HD1 LEU 111 2HD1 LEU 111 0.659 -6.327 -0.153 636 3HD1 LEU 111 3HD1 LEU 111 0.474 -4.659 -0.750 637 1HD2 LEU 111 1HD2 LEU 111 1.385 -3.207 2.200 638 2HD2 LEU 111 2HD2 LEU 111 -0.021 -3.873 1.378 639 3HD2 LEU 111 3HD2 LEU 111 0.749 -4.745 2.747 640 H ASN 112 H ASN 112 4.648 -7.011 -1.529 641 HA ASN 112 HA ASN 112 6.663 -4.895 -1.628 642 1HB ASN 112 1HB ASN 112 5.507 -6.911 -3.523 643 2HB ASN 112 2HB ASN 112 6.117 -5.389 -4.234 644 1HD2 ASN 112 1HD2 ASN 112 6.984 -8.440 -3.377 645 2HD2 ASN 112 2HD2 ASN 112 8.682 -8.269 -3.450 646 H LEU 113 H LEU 113 6.295 -2.816 -2.059 647 HA LEU 113 HA LEU 113 3.742 -1.982 -3.262 648 1HB LEU 113 1HB LEU 113 4.378 -1.939 -0.520 649 2HB LEU 113 2HB LEU 113 4.852 -0.315 -1.060 650 HG LEU 113 HG LEU 113 2.409 -0.728 -2.254 651 1HD1 LEU 113 1HD1 LEU 113 1.955 -2.713 -1.061 652 2HD1 LEU 113 2HD1 LEU 113 2.112 -1.832 0.491 653 3HD1 LEU 113 3HD1 LEU 113 0.808 -1.441 -0.647 654 1HD2 LEU 113 1HD2 LEU 113 3.020 1.353 -1.410 655 2HD2 LEU 113 2HD2 LEU 113 1.527 0.878 -0.587 656 3HD2 LEU 113 3HD2 LEU 113 3.110 0.713 0.249 657 H THR 114 H THR 114 3.952 -0.007 -4.487 658 HA THR 114 HA THR 114 6.644 1.222 -4.506 659 HB THR 114 HB THR 114 5.086 0.366 -6.978 660 HG1 THR 114 1HG THR 114 6.577 -1.176 -7.236 661 1HG2 THR 114 1HG2 THR 114 6.449 2.388 -7.401 662 2HG2 THR 114 2HG2 THR 114 7.872 1.572 -6.716 663 3HG2 THR 114 3HG2 THR 114 7.123 0.992 -8.239 664 H ILE 115 H ILE 115 6.573 3.446 -5.016 665 HA ILE 115 HA ILE 115 4.137 4.726 -5.978 666 HB ILE 115 HB ILE 115 5.436 5.410 -3.301 667 1HG1 ILE 115 1HG1 ILE 115 2.504 4.862 -3.952 668 2HG1 ILE 115 2HG1 ILE 115 3.588 3.657 -3.229 669 1HG2 ILE 115 1HG2 ILE 115 3.306 7.016 -4.753 670 2HG2 ILE 115 2HG2 ILE 115 4.006 7.387 -3.163 671 3HG2 ILE 115 3HG2 ILE 115 5.016 7.463 -4.552 672 1HD1 ILE 115 1HD1 ILE 115 2.404 4.546 -1.422 673 2HD1 ILE 115 2HD1 ILE 115 4.015 5.306 -1.357 674 3HD1 ILE 115 3HD1 ILE 115 2.646 6.219 -2.002 675 HA PRO 116 HA PRO 116 7.587 6.851 -7.954 676 1HB PRO 116 1HB PRO 116 6.195 8.897 -9.115 677 2HB PRO 116 2HB PRO 116 6.164 7.243 -9.761 678 1HG PRO 116 1HG PRO 116 4.127 8.608 -8.023 679 2HG PRO 116 2HG PRO 116 3.857 7.581 -9.466 680 1HD PRO 116 1HD PRO 116 3.663 6.690 -6.853 681 2HD PRO 116 2HD PRO 116 4.160 5.593 -8.151 682 H GLN 117 H GLN 117 8.868 8.628 -7.372 683 HA GLN 117 HA GLN 117 8.656 9.662 -4.781 684 1HB GLN 117 1HB GLN 117 10.220 10.694 -7.163 685 2HB GLN 117 2HB GLN 117 10.411 11.341 -5.515 686 1HG GLN 117 1HG GLN 117 10.985 8.491 -6.388 687 2HG GLN 117 2HG GLN 117 12.181 9.774 -6.063 688 1HE2 GLN 117 1HE2 GLN 117 10.388 7.209 -4.717 689 2HE2 GLN 117 2HE2 GLN 117 10.795 7.452 -3.025 690 H ALA 118 H ALA 118 7.208 11.009 -7.708 691 HA ALA 118 HA ALA 118 6.728 13.638 -6.775 692 1HB ALA 118 1HB ALA 118 5.053 11.850 -8.575 693 2HB ALA 118 2HB ALA 118 4.754 13.581 -8.314 694 3HB ALA 118 3HB ALA 118 6.259 13.040 -9.081 695 H PHE 119 H PHE 119 5.175 10.526 -5.649 696 HA PHE 119 HA PHE 119 3.187 12.168 -4.150 697 1HB PHE 119 1HB PHE 119 3.307 9.257 -4.997 698 2HB PHE 119 2HB PHE 119 2.045 9.961 -3.987 699 HD1 PHE 119 1HD PHE 119 3.534 10.807 -7.421 700 HD2 PHE 119 2HD PHE 119 0.049 9.887 -5.075 701 HE1 PHE 119 1HE PHE 119 2.141 11.076 -9.379 702 HE2 PHE 119 2HE PHE 119 -1.330 10.012 -7.160 703 HZ PHE 119 HZ PHE 119 -0.292 10.657 -9.301 704 H MET 120 H MET 120 6.072 11.936 -3.483 705 HA MET 120 HA MET 120 5.837 10.493 -0.891 706 1HB MET 120 1HB MET 120 8.231 10.647 -2.762 707 2HB MET 120 2HB MET 120 8.262 10.039 -1.084 708 1HG MET 120 1HG MET 120 6.709 8.867 -3.400 709 2HG MET 120 2HG MET 120 8.158 8.180 -2.654 710 1HE MET 120 1HE MET 120 8.260 7.340 -0.140 711 2HE MET 120 2HE MET 120 7.408 8.737 0.578 712 3HE MET 120 3HE MET 120 6.824 7.091 0.878 713 H SER 121 H SER 121 5.888 11.866 0.667 714 HA SER 121 HA SER 121 6.807 14.623 0.318 715 1HB SER 121 1HB SER 121 5.060 13.334 2.054 716 2HB SER 121 2HB SER 121 6.482 13.608 3.071 717 HG SER 121 HG SER 121 4.827 15.462 1.687 718 H ASN 122 H ASN 122 8.260 15.375 2.157 719 HA ASN 122 HA ASN 122 10.893 14.248 1.975 720 1HB ASN 122 1HB ASN 122 9.510 16.328 3.703 721 2HB ASN 122 2HB ASN 122 11.218 15.937 3.932 722 1HD2 ASN 122 1HD2 ASN 122 12.654 17.261 2.808 723 2HD2 ASN 122 2HD2 ASN 122 12.239 18.087 1.328 724 H ARG 123 H ARG 123 12.128 13.614 3.893 725 HA ARG 123 HA ARG 123 12.697 12.299 5.540 726 1HB ARG 123 1HB ARG 123 10.352 13.621 6.638 727 2HB ARG 123 2HB ARG 123 10.658 12.039 7.381 728 1HG ARG 123 1HG ARG 123 12.685 14.290 7.113 729 2HG ARG 123 2HG ARG 123 11.789 13.856 8.592 730 1HD ARG 123 1HD ARG 123 12.859 11.582 8.486 731 2HD ARG 123 2HD ARG 123 13.881 12.159 7.153 732 HE ARG 123 HE ARG 123 14.220 14.009 9.198 733 1HH1 ARG 123 2HH2 ARG 123 14.848 10.532 8.657 734 2HH1 ARG 123 1HH2 ARG 123 16.235 10.480 9.672 735 1HH2 ARG 123 2HH1 ARG 123 15.985 13.978 10.499 736 2HH2 ARG 123 1HH1 ARG 123 16.855 12.492 10.872 737 H ALA 124 H ALA 124 9.308 11.322 4.969 738 HA ALA 124 HA ALA 124 8.313 9.340 5.125 739 1HB ALA 124 1HB ALA 124 9.399 7.262 4.294 740 2HB ALA 124 2HB ALA 124 9.501 8.619 3.143 741 3HB ALA 124 3HB ALA 124 10.910 8.136 4.121 742 H ARG 125 H ARG 125 11.177 9.552 6.877 743 HA ARG 125 HA ARG 125 11.734 9.178 9.042 744 1HB ARG 125 1HB ARG 125 8.926 8.128 9.479 745 2HB ARG 125 2HB ARG 125 10.170 8.373 10.731 746 1HG ARG 125 1HG ARG 125 8.811 10.518 9.057 747 2HG ARG 125 2HG ARG 125 8.599 10.194 10.797 748 1HD ARG 125 1HD ARG 125 11.149 10.637 10.977 749 2HD ARG 125 2HD ARG 125 11.017 11.337 9.352 750 HE ARG 125 HE ARG 125 9.916 13.190 10.240 751 1HH1 ARG 125 2HH2 ARG 125 10.071 10.715 12.803 752 2HH1 ARG 125 1HH2 ARG 125 9.593 11.813 14.039 753 1HH2 ARG 125 2HH1 ARG 125 9.588 14.618 11.861 754 2HH2 ARG 125 1HH1 ARG 125 9.351 14.155 13.523 Start of MODEL 19 1 1H GLY 25 H GLY 25 -5.844 -12.922 -12.758 2 1HA GLY 25 1HA GLY 25 -8.552 -11.834 -13.316 3 2HA GLY 25 2HA GLY 25 -8.202 -13.559 -13.157 4 H GLN 26 H GLN 26 -8.563 -14.452 -11.141 5 HA GLN 26 HA GLN 26 -7.694 -13.029 -8.799 6 1HB GLN 26 1HB GLN 26 -9.711 -12.126 -8.347 7 2HB GLN 26 2HB GLN 26 -10.550 -13.201 -9.503 8 1HG GLN 26 1HG GLN 26 -11.495 -13.446 -7.358 9 2HG GLN 26 2HG GLN 26 -10.710 -14.940 -7.864 10 1HE2 GLN 26 1HE2 GLN 26 -8.276 -12.683 -6.495 11 2HE2 GLN 26 2HE2 GLN 26 -8.535 -13.183 -4.867 12 H GLU 27 H GLU 27 -7.076 -14.439 -7.264 13 HA GLU 27 HA GLU 27 -7.776 -17.243 -7.243 14 1HB GLU 27 1HB GLU 27 -5.345 -17.843 -7.747 15 2HB GLU 27 2HB GLU 27 -6.342 -17.332 -9.126 16 1HG GLU 27 1HG GLU 27 -5.306 -15.023 -8.925 17 2HG GLU 27 2HG GLU 27 -4.260 -15.661 -7.635 18 HE2 GLU 27 HE GLU 27 -2.326 -17.443 -9.935 19 H LEU 28 H LEU 28 -7.592 -14.817 -5.493 20 HA LEU 28 HA LEU 28 -6.459 -16.214 -3.271 21 1HB LEU 28 1HB LEU 28 -4.964 -14.125 -4.574 22 2HB LEU 28 2HB LEU 28 -5.388 -13.588 -2.946 23 HG LEU 28 HG LEU 28 -3.779 -16.052 -3.716 24 1HD1 LEU 28 1HD1 LEU 28 -3.130 -13.539 -2.092 25 2HD1 LEU 28 2HD1 LEU 28 -2.052 -14.908 -2.319 26 3HD1 LEU 28 3HD1 LEU 28 -2.517 -13.942 -3.714 27 1HD2 LEU 28 1HD2 LEU 28 -4.721 -15.132 -0.972 28 2HD2 LEU 28 2HD2 LEU 28 -5.179 -16.660 -1.782 29 3HD2 LEU 28 3HD2 LEU 28 -3.521 -16.417 -1.286 30 HA PRO 29 HA PRO 29 -10.384 -14.150 -2.570 31 1HB PRO 29 1HB PRO 29 -11.319 -15.659 -0.472 32 2HB PRO 29 2HB PRO 29 -11.311 -16.208 -2.173 33 1HG PRO 29 1HG PRO 29 -9.344 -16.852 0.025 34 2HG PRO 29 2HG PRO 29 -10.041 -17.967 -1.198 35 1HD PRO 29 1HD PRO 29 -7.536 -16.796 -1.379 36 2HD PRO 29 2HD PRO 29 -8.455 -17.257 -2.820 37 HA PRO 30 HA PRO 30 -9.288 -11.074 0.171 38 1HB PRO 30 1HB PRO 30 -11.581 -9.996 1.118 39 2HB PRO 30 2HB PRO 30 -11.053 -9.925 -0.590 40 1HG PRO 30 1HG PRO 30 -12.989 -11.870 0.686 41 2HG PRO 30 2HG PRO 30 -13.179 -10.954 -0.850 42 1HD PRO 30 1HD PRO 30 -12.333 -13.552 -0.784 43 2HD PRO 30 2HD PRO 30 -11.733 -12.399 -2.001 44 H GLY 31 H GLY 31 -9.470 -10.034 2.514 45 1HA GLY 31 1HA GLY 31 -10.154 -11.134 4.852 46 2HA GLY 31 2HA GLY 31 -8.963 -12.323 4.313 47 H THR 32 H THR 32 -7.245 -11.926 5.711 48 HA THR 32 HA THR 32 -5.797 -9.442 5.319 49 HB THR 32 HB THR 32 -7.227 -9.091 7.383 50 HG1 THR 32 1HG THR 32 -5.703 -7.932 8.162 51 1HG2 THR 32 1HG2 THR 32 -5.383 -11.195 8.616 52 2HG2 THR 32 2HG2 THR 32 -6.581 -10.188 9.468 53 3HG2 THR 32 3HG2 THR 32 -7.117 -11.418 8.305 54 H TYR 33 H TYR 33 -3.533 -9.720 6.144 55 HA TYR 33 HA TYR 33 -2.588 -12.530 6.084 56 1HB TYR 33 1HB TYR 33 -0.739 -11.831 4.592 57 2HB TYR 33 2HB TYR 33 -2.324 -11.839 3.814 58 HD1 TYR 33 1HD TYR 33 -2.807 -10.013 2.392 59 HD2 TYR 33 2HD TYR 33 -0.002 -9.301 5.572 60 HE1 TYR 33 1HE TYR 33 -2.395 -7.819 1.508 61 HE2 TYR 33 2HE TYR 33 0.410 -7.084 4.524 62 HH TYR 33 HH TYR 33 0.240 -5.786 2.644 63 H ARG 34 H ARG 34 0.093 -12.138 6.436 64 HA ARG 34 HA ARG 34 0.583 -9.832 8.190 65 1HB ARG 34 1HB ARG 34 0.213 -11.491 9.842 66 2HB ARG 34 2HB ARG 34 1.056 -12.742 8.894 67 1HG ARG 34 1HG ARG 34 2.360 -12.062 10.838 68 2HG ARG 34 2HG ARG 34 3.197 -11.678 9.317 69 1HD ARG 34 1HD ARG 34 3.502 -9.610 10.081 70 2HD ARG 34 2HD ARG 34 1.750 -9.358 9.962 71 HE ARG 34 HE ARG 34 1.546 -9.483 12.221 72 1HH1 ARG 34 2HH2 ARG 34 4.876 -10.607 11.403 73 2HH1 ARG 34 1HH2 ARG 34 5.311 -10.756 13.056 74 1HH2 ARG 34 2HH1 ARG 34 2.156 -9.833 14.374 75 2HH2 ARG 34 1HH1 ARG 34 3.669 -10.524 14.768 76 H VAL 35 H VAL 35 2.313 -8.742 7.185 77 HA VAL 35 HA VAL 35 4.659 -10.181 6.201 78 HB VAL 35 HB VAL 35 4.438 -9.228 3.947 79 1HG1 VAL 35 1HG1 VAL 35 3.206 -11.445 4.261 80 2HG1 VAL 35 2HG1 VAL 35 1.708 -10.486 4.222 81 3HG1 VAL 35 3HG1 VAL 35 2.829 -10.464 2.849 82 1HG2 VAL 35 1HG2 VAL 35 2.106 -7.815 5.143 83 2HG2 VAL 35 2HG2 VAL 35 3.398 -7.195 4.158 84 3HG2 VAL 35 3HG2 VAL 35 2.128 -8.167 3.374 85 H ASP 36 H ASP 36 6.030 -8.512 5.083 86 HA ASP 36 HA ASP 36 6.233 -6.219 6.961 87 1HB ASP 36 1HB ASP 36 8.281 -7.012 4.922 88 2HB ASP 36 2HB ASP 36 8.396 -6.025 6.406 89 HD2 ASP 36 HD ASP 36 8.600 -9.105 8.309 90 H ILE 37 H ILE 37 5.408 -4.359 6.141 91 HA ILE 37 HA ILE 37 4.626 -3.832 3.355 92 HB ILE 37 HB ILE 37 5.026 -2.225 5.919 93 1HG1 ILE 37 1HG1 ILE 37 2.360 -2.357 4.597 94 2HG1 ILE 37 2HG1 ILE 37 2.910 -3.874 5.319 95 1HG2 ILE 37 1HG2 ILE 37 5.433 -0.768 3.980 96 2HG2 ILE 37 2HG2 ILE 37 3.819 -1.183 3.354 97 3HG2 ILE 37 3HG2 ILE 37 3.999 -0.298 4.886 98 1HD1 ILE 37 1HD1 ILE 37 3.255 -2.728 7.486 99 2HD1 ILE 37 2HD1 ILE 37 2.707 -1.194 6.769 100 3HD1 ILE 37 3HD1 ILE 37 1.581 -2.559 6.931 101 H TYR 38 H TYR 38 6.280 -3.571 1.803 102 HA TYR 38 HA TYR 38 8.769 -2.258 2.760 103 1HB TYR 38 1HB TYR 38 8.440 -4.750 1.161 104 2HB TYR 38 2HB TYR 38 9.588 -3.567 0.492 105 HD1 TYR 38 1HD TYR 38 8.805 -5.462 3.569 106 HD2 TYR 38 2HD TYR 38 11.802 -3.502 1.224 107 HE1 TYR 38 1HE TYR 38 10.561 -6.122 5.260 108 HE2 TYR 38 2HE TYR 38 13.544 -4.131 2.857 109 HH TYR 38 HH TYR 38 12.856 -5.421 6.033 110 H LEU 39 H LEU 39 8.566 -0.221 1.968 111 HA LEU 39 HA LEU 39 7.192 0.304 -0.628 112 1HB LEU 39 1HB LEU 39 6.739 1.760 1.403 113 2HB LEU 39 2HB LEU 39 8.433 2.256 1.357 114 HG LEU 39 HG LEU 39 7.817 2.908 -1.169 115 1HD1 LEU 39 1HD1 LEU 39 5.577 1.896 -1.088 116 2HD1 LEU 39 2HD1 LEU 39 5.131 2.949 0.288 117 3HD1 LEU 39 3HD1 LEU 39 5.460 3.640 -1.320 118 1HD2 LEU 39 1HD2 LEU 39 8.507 4.553 0.489 119 2HD2 LEU 39 2HD2 LEU 39 7.066 5.132 -0.365 120 3HD2 LEU 39 3HD2 LEU 39 6.929 4.465 1.287 121 H ASN 40 H ASN 40 8.557 0.346 -2.400 122 HA ASN 40 HA ASN 40 10.457 0.602 -3.674 123 1HB ASN 40 1HB ASN 40 10.949 2.967 -1.832 124 2HB ASN 40 2HB ASN 40 11.502 2.791 -3.508 125 1HD2 ASN 40 1HD2 ASN 40 9.887 4.997 -2.271 126 2HD2 ASN 40 2HD2 ASN 40 8.432 5.018 -3.260 127 H ASN 41 H ASN 41 10.838 -1.310 -1.801 128 HA ASN 41 HA ASN 41 12.374 -2.714 -1.082 129 1HB ASN 41 1HB ASN 41 14.549 -0.944 -2.190 130 2HB ASN 41 2HB ASN 41 14.579 -2.699 -1.871 131 1HD2 ASN 41 1HD2 ASN 41 13.646 -0.221 -4.122 132 2HD2 ASN 41 2HD2 ASN 41 12.943 -1.248 -5.342 133 H GLY 42 H GLY 42 11.406 -0.615 0.716 134 1HA GLY 42 1HA GLY 42 13.406 -1.130 2.798 135 2HA GLY 42 2HA GLY 42 12.832 0.536 2.567 136 H TYR 43 H TYR 43 12.478 -1.669 4.652 137 HA TYR 43 HA TYR 43 9.798 -2.575 5.032 138 1HB TYR 43 1HB TYR 43 11.635 -3.406 6.317 139 2HB TYR 43 2HB TYR 43 12.164 -1.785 6.798 140 HD1 TYR 43 1HD TYR 43 11.042 -0.541 8.611 141 HD2 TYR 43 2HD TYR 43 9.899 -4.568 7.530 142 HE1 TYR 43 1HE TYR 43 9.940 -0.810 10.801 143 HE2 TYR 43 2HE TYR 43 8.853 -4.854 9.720 144 HH TYR 43 HH TYR 43 9.103 -3.874 12.015 145 H MET 44 H MET 44 7.996 -1.458 5.695 146 HA MET 44 HA MET 44 8.285 1.059 7.211 147 1HB MET 44 1HB MET 44 6.172 0.964 5.094 148 2HB MET 44 2HB MET 44 6.787 2.346 6.009 149 1HG MET 44 1HG MET 44 8.853 1.165 4.331 150 2HG MET 44 2HG MET 44 7.374 1.537 3.415 151 1HE MET 44 1HE MET 44 9.464 3.246 6.313 152 2HE MET 44 2HE MET 44 10.589 2.787 5.014 153 3HE MET 44 3HE MET 44 10.294 4.509 5.375 154 H ALA 45 H ALA 45 7.984 -1.244 8.196 155 HA ALA 45 HA ALA 45 6.920 -1.820 10.284 156 1HB ALA 45 1HB ALA 45 5.133 -0.113 10.096 157 2HB ALA 45 2HB ALA 45 4.238 -1.221 9.027 158 3HB ALA 45 3HB ALA 45 4.580 -1.683 10.693 159 H THR 46 H THR 46 5.773 -3.806 10.864 160 HA THR 46 HA THR 46 5.008 -5.513 8.610 161 HB THR 46 HB THR 46 7.325 -6.173 9.087 162 HG1 THR 46 1HG THR 46 6.846 -8.086 8.704 163 1HG2 THR 46 1HG2 THR 46 7.370 -5.809 11.575 164 2HG2 THR 46 2HG2 THR 46 6.269 -7.199 11.737 165 3HG2 THR 46 3HG2 THR 46 7.891 -7.437 11.065 166 H ARG 47 H ARG 47 3.092 -6.202 8.946 167 HA ARG 47 HA ARG 47 1.937 -6.789 11.503 168 1HB ARG 47 1HB ARG 47 0.124 -4.867 10.875 169 2HB ARG 47 2HB ARG 47 1.423 -4.701 12.082 170 1HG ARG 47 1HG ARG 47 2.699 -3.309 10.672 171 2HG ARG 47 2HG ARG 47 1.794 -3.752 9.216 172 1HD ARG 47 1HD ARG 47 1.143 -1.512 9.989 173 2HD ARG 47 2HD ARG 47 -0.218 -2.655 10.121 174 HE ARG 47 HE ARG 47 -0.068 -2.650 12.431 175 1HH1 ARG 47 2HH2 ARG 47 2.149 -0.197 11.095 176 2HH1 ARG 47 1HH2 ARG 47 2.875 0.154 12.624 177 1HH2 ARG 47 2HH1 ARG 47 0.764 -2.052 14.426 178 2HH2 ARG 47 1HH1 ARG 47 1.878 -0.695 14.553 179 H ASP 48 H ASP 48 -0.599 -6.711 11.060 180 HA ASP 48 HA ASP 48 -1.070 -8.429 8.798 181 1HB ASP 48 1HB ASP 48 -3.351 -8.561 9.565 182 2HB ASP 48 2HB ASP 48 -2.331 -8.650 11.013 183 HD2 ASP 48 HD ASP 48 -3.456 -5.543 12.152 184 H VAL 49 H VAL 49 -2.363 -7.680 6.838 185 HA VAL 49 HA VAL 49 -3.093 -4.845 6.803 186 HB VAL 49 HB VAL 49 -1.765 -6.193 4.635 187 1HG1 VAL 49 1HG1 VAL 49 -1.411 -4.041 3.629 188 2HG1 VAL 49 2HG1 VAL 49 -3.108 -4.573 3.783 189 3HG1 VAL 49 3HG1 VAL 49 -2.448 -3.310 4.891 190 1HG2 VAL 49 1HG2 VAL 49 0.256 -4.762 5.030 191 2HG2 VAL 49 2HG2 VAL 49 -0.506 -4.167 6.517 192 3HG2 VAL 49 3HG2 VAL 49 -0.042 -5.872 6.350 193 H THR 50 H THR 50 -5.328 -5.298 6.892 194 HA THR 50 HA THR 50 -6.563 -7.561 5.646 195 HB THR 50 HB THR 50 -7.663 -4.830 6.388 196 HG1 THR 50 1HG THR 50 -8.168 -5.872 8.299 197 1HG2 THR 50 1HG2 THR 50 -9.176 -7.453 5.992 198 2HG2 THR 50 2HG2 THR 50 -9.859 -5.918 6.544 199 3HG2 THR 50 3HG2 THR 50 -9.244 -6.052 4.896 200 H PHE 51 H PHE 51 -7.545 -7.737 3.486 201 HA PHE 51 HA PHE 51 -7.033 -5.570 1.592 202 1HB PHE 51 1HB PHE 51 -6.329 -7.411 0.004 203 2HB PHE 51 2HB PHE 51 -5.148 -7.057 1.276 204 HD1 PHE 51 1HD PHE 51 -7.679 -9.531 0.110 205 HD2 PHE 51 2HD PHE 51 -4.615 -8.634 2.981 206 HE1 PHE 51 1HE PHE 51 -7.484 -11.939 0.720 207 HE2 PHE 51 2HE PHE 51 -4.445 -11.066 3.525 208 HZ PHE 51 HZ PHE 51 -5.935 -12.693 2.453 209 H ASN 52 H ASN 52 -8.413 -5.913 -0.306 210 HA ASN 52 HA ASN 52 -10.909 -7.434 0.362 211 1HB ASN 52 1HB ASN 52 -10.619 -4.553 -0.548 212 2HB ASN 52 2HB ASN 52 -12.142 -5.477 -0.671 213 1HD2 ASN 52 1HD2 ASN 52 -9.676 -4.508 1.757 214 2HD2 ASN 52 2HD2 ASN 52 -10.851 -4.193 3.028 215 H THR 53 H THR 53 -12.257 -7.795 -1.454 216 HA THR 53 HA THR 53 -11.308 -8.924 -3.719 217 HB THR 53 HB THR 53 -13.909 -7.385 -3.697 218 HG1 THR 53 1HG THR 53 -14.302 -8.049 -1.763 219 1HG2 THR 53 1HG2 THR 53 -14.840 -9.463 -4.532 220 2HG2 THR 53 2HG2 THR 53 -13.369 -9.122 -5.468 221 3HG2 THR 53 3HG2 THR 53 -13.345 -10.341 -4.166 222 H GLY 54 H GLY 54 -10.152 -8.065 -5.411 223 1HA GLY 54 1HA GLY 54 -10.382 -5.195 -6.121 224 2HA GLY 54 2HA GLY 54 -8.834 -5.849 -5.545 225 H ASP 55 H ASP 55 -8.240 -5.093 -7.867 226 HA ASP 55 HA ASP 55 -8.376 -7.508 -9.538 227 1HB ASP 55 1HB ASP 55 -9.961 -5.511 -10.361 228 2HB ASP 55 2HB ASP 55 -8.404 -4.845 -10.919 229 HD2 ASP 55 HD ASP 55 -9.158 -8.388 -12.572 230 H SER 56 H SER 56 -6.326 -8.115 -9.497 231 HA SER 56 HA SER 56 -4.310 -6.585 -10.540 232 1HB SER 56 1HB SER 56 -4.039 -7.190 -7.537 233 2HB SER 56 2HB SER 56 -2.673 -6.720 -8.577 234 HG SER 56 HG SER 56 -4.872 -5.073 -8.684 235 H GLU 57 H GLU 57 -2.174 -8.267 -9.984 236 HA GLU 57 HA GLU 57 -2.429 -10.629 -11.203 237 1HB GLU 57 1HB GLU 57 -0.793 -10.214 -8.678 238 2HB GLU 57 2HB GLU 57 -0.440 -11.348 -9.987 239 1HG GLU 57 1HG GLU 57 -0.480 -8.319 -10.320 240 2HG GLU 57 2HG GLU 57 0.978 -9.260 -9.904 241 HE2 GLU 57 HE GLU 57 -0.389 -9.508 -13.634 242 H GLN 58 H GLN 58 -2.648 -10.377 -7.627 243 HA GLN 58 HA GLN 58 -3.531 -13.092 -7.209 244 1HB GLN 58 1HB GLN 58 -3.883 -10.757 -5.333 245 2HB GLN 58 2HB GLN 58 -3.674 -12.464 -4.930 246 1HG GLN 58 1HG GLN 58 -1.510 -11.963 -4.567 247 2HG GLN 58 2HG GLN 58 -1.325 -11.846 -6.316 248 1HE2 GLN 58 1HE2 GLN 58 -1.813 -10.133 -3.325 249 2HE2 GLN 58 2HE2 GLN 58 -1.752 -8.475 -3.943 250 H GLY 59 H GLY 59 -5.301 -10.187 -8.033 251 1HA GLY 59 1HA GLY 59 -7.580 -9.943 -8.305 252 2HA GLY 59 2HA GLY 59 -7.876 -11.434 -7.484 253 H ILE 60 H ILE 60 -5.845 -9.346 -5.589 254 HA ILE 60 HA ILE 60 -8.034 -8.145 -4.055 255 HB ILE 60 HB ILE 60 -6.839 -9.034 -1.901 256 1HG1 ILE 60 1HG1 ILE 60 -6.107 -11.396 -3.655 257 2HG1 ILE 60 2HG1 ILE 60 -4.941 -10.081 -3.343 258 1HG2 ILE 60 1HG2 ILE 60 -9.141 -9.636 -2.495 259 2HG2 ILE 60 2HG2 ILE 60 -8.569 -10.911 -3.577 260 3HG2 ILE 60 3HG2 ILE 60 -8.290 -11.043 -1.842 261 1HD1 ILE 60 1HD1 ILE 60 -5.154 -10.449 -0.916 262 2HD1 ILE 60 2HD1 ILE 60 -6.187 -11.868 -1.268 263 3HD1 ILE 60 3HD1 ILE 60 -4.502 -11.827 -1.789 264 H VAL 61 H VAL 61 -7.268 -6.358 -2.739 265 HA VAL 61 HA VAL 61 -4.366 -5.824 -2.891 266 HB VAL 61 HB VAL 61 -4.696 -3.522 -3.581 267 1HG1 VAL 61 1HG1 VAL 61 -4.259 -5.258 -5.307 268 2HG1 VAL 61 2HG1 VAL 61 -6.006 -5.391 -5.596 269 3HG1 VAL 61 3HG1 VAL 61 -5.166 -3.873 -5.924 270 1HG2 VAL 61 1HG2 VAL 61 -7.646 -4.244 -3.844 271 2HG2 VAL 61 2HG2 VAL 61 -6.898 -2.946 -2.869 272 3HG2 VAL 61 3HG2 VAL 61 -6.883 -2.852 -4.625 273 HA PRO 62 HA PRO 62 -4.773 -4.950 1.471 274 1HB PRO 62 1HB PRO 62 -2.752 -3.180 1.829 275 2HB PRO 62 2HB PRO 62 -2.580 -4.946 1.582 276 1HG PRO 62 1HG PRO 62 -2.223 -2.744 -0.426 277 2HG PRO 62 2HG PRO 62 -1.199 -4.195 -0.147 278 1HD PRO 62 1HD PRO 62 -3.052 -4.073 -2.139 279 2HD PRO 62 2HD PRO 62 -2.720 -5.587 -1.262 280 H CYS 63 H CYS 63 -5.499 -3.528 2.967 281 HA CYS 63 HA CYS 63 -6.990 -1.180 2.019 282 1HB CYS 63 1HB CYS 63 -8.102 -2.771 3.453 283 2HB CYS 63 2HB CYS 63 -6.841 -2.602 4.691 284 HG CYS 63 HG CYS 63 -9.032 -1.452 5.511 285 H LEU 64 H LEU 64 -5.139 0.086 1.490 286 HA LEU 64 HA LEU 64 -3.345 0.949 3.691 287 1HB LEU 64 1HB LEU 64 -3.369 1.809 0.777 288 2HB LEU 64 2HB LEU 64 -2.104 2.102 1.993 289 HG LEU 64 HG LEU 64 -2.908 -0.699 1.203 290 1HD1 LEU 64 1HD1 LEU 64 -0.779 0.990 -0.208 291 2HD1 LEU 64 2HD1 LEU 64 -1.144 -0.719 -0.530 292 3HD1 LEU 64 3HD1 LEU 64 -2.340 0.505 -0.903 293 1HD2 LEU 64 1HD2 LEU 64 -0.600 -1.254 1.885 294 2HD2 LEU 64 2HD2 LEU 64 -0.297 0.449 2.278 295 3HD2 LEU 64 3HD2 LEU 64 -1.497 -0.484 3.197 296 H THR 65 H THR 65 -4.314 2.513 5.005 297 HA THR 65 HA THR 65 -6.474 4.139 3.868 298 HB THR 65 HB THR 65 -7.083 4.592 6.115 299 HG1 THR 65 1HG THR 65 -5.890 4.123 7.817 300 1HG2 THR 65 1HG2 THR 65 -7.551 2.238 5.247 301 2HG2 THR 65 2HG2 THR 65 -6.048 1.666 5.968 302 3HG2 THR 65 3HG2 THR 65 -7.339 2.260 7.015 303 H ARG 66 H ARG 66 -6.489 6.533 4.664 304 HA ARG 66 HA ARG 66 -4.267 7.796 3.515 305 1HB ARG 66 1HB ARG 66 -6.519 8.889 3.960 306 2HB ARG 66 2HB ARG 66 -6.017 9.117 5.647 307 1HG ARG 66 1HG ARG 66 -4.513 10.763 5.112 308 2HG ARG 66 2HG ARG 66 -4.053 9.968 3.573 309 1HD ARG 66 1HD ARG 66 -5.341 11.264 2.358 310 2HD ARG 66 2HD ARG 66 -6.736 11.025 3.407 311 HE ARG 66 HE ARG 66 -4.560 13.048 3.752 312 1HH1 ARG 66 2HH2 ARG 66 -7.910 12.061 4.718 313 2HH1 ARG 66 1HH2 ARG 66 -8.093 13.503 5.650 314 1HH2 ARG 66 2HH1 ARG 66 -5.087 15.038 4.759 315 2HH2 ARG 66 1HH1 ARG 66 -6.634 15.214 5.516 316 H ALA 67 H ALA 67 -4.894 7.127 6.937 317 HA ALA 67 HA ALA 67 -2.587 8.440 7.926 318 1HB ALA 67 1HB ALA 67 -4.055 5.997 9.025 319 2HB ALA 67 2HB ALA 67 -2.619 6.701 9.795 320 3HB ALA 67 3HB ALA 67 -4.093 7.686 9.611 321 H GLN 68 H GLN 68 -3.060 4.961 7.033 322 HA GLN 68 HA GLN 68 -0.490 4.030 7.560 323 1HB GLN 68 1HB GLN 68 -2.450 3.259 5.372 324 2HB GLN 68 2HB GLN 68 -1.024 2.300 5.793 325 1HG GLN 68 1HG GLN 68 -2.802 2.951 8.080 326 2HG GLN 68 2HG GLN 68 -3.541 1.953 6.795 327 1HE2 GLN 68 1HE2 GLN 68 -3.574 -0.133 7.563 328 2HE2 GLN 68 2HE2 GLN 68 -2.119 -0.976 8.017 329 H LEU 69 H LEU 69 -1.719 5.560 4.568 330 HA LEU 69 HA LEU 69 0.719 5.213 3.081 331 1HB LEU 69 1HB LEU 69 -1.551 7.224 2.815 332 2HB LEU 69 2HB LEU 69 -0.263 6.946 1.615 333 HG LEU 69 HG LEU 69 -2.250 4.879 2.499 334 1HD1 LEU 69 1HD1 LEU 69 -3.267 6.694 1.164 335 2HD1 LEU 69 2HD1 LEU 69 -2.025 6.485 -0.091 336 3HD1 LEU 69 3HD1 LEU 69 -3.188 5.189 0.229 337 1HD2 LEU 69 1HD2 LEU 69 -0.298 3.740 1.875 338 2HD2 LEU 69 2HD2 LEU 69 -1.433 3.610 0.562 339 3HD2 LEU 69 3HD2 LEU 69 -0.061 4.749 0.419 340 H ALA 70 H ALA 70 -0.537 8.104 4.864 341 HA ALA 70 HA ALA 70 1.873 9.617 4.457 342 1HB ALA 70 1HB ALA 70 1.006 10.953 6.398 343 2HB ALA 70 2HB ALA 70 -0.203 10.691 5.127 344 3HB ALA 70 3HB ALA 70 -0.272 9.743 6.629 345 H SER 71 H SER 71 1.161 6.844 6.463 346 HA SER 71 HA SER 71 3.194 7.277 8.489 347 1HB SER 71 1HB SER 71 1.024 5.835 8.496 348 2HB SER 71 2HB SER 71 2.015 4.594 7.745 349 HG SER 71 HG SER 71 3.484 5.265 9.739 350 H MET 72 H MET 72 3.329 6.352 5.181 351 HA MET 72 HA MET 72 6.180 5.625 5.513 352 1HB MET 72 1HB MET 72 5.764 4.579 3.148 353 2HB MET 72 2HB MET 72 5.571 3.662 4.648 354 1HG MET 72 1HG MET 72 3.129 4.164 4.551 355 2HG MET 72 2HG MET 72 3.412 4.840 2.946 356 1HE MET 72 1HE MET 72 1.473 3.057 2.940 357 2HE MET 72 2HE MET 72 2.375 3.603 1.487 358 3HE MET 72 3HE MET 72 1.868 1.879 1.624 359 H GLY 73 H GLY 73 4.558 8.230 5.202 360 1HA GLY 73 1HA GLY 73 5.108 10.278 4.423 361 2HA GLY 73 2HA GLY 73 6.582 9.586 3.750 362 H LEU 74 H LEU 74 3.515 8.229 2.654 363 HA LEU 74 HA LEU 74 3.808 9.240 -0.020 364 1HB LEU 74 1HB LEU 74 2.639 7.310 0.010 365 2HB LEU 74 2HB LEU 74 1.742 7.725 1.473 366 HG LEU 74 HG LEU 74 0.347 7.459 -0.472 367 1HD1 LEU 74 1HD1 LEU 74 -1.186 8.879 0.170 368 2HD1 LEU 74 2HD1 LEU 74 -0.035 9.236 1.466 369 3HD1 LEU 74 3HD1 LEU 74 -0.130 10.286 0.037 370 1HD2 LEU 74 1HD2 LEU 74 1.332 9.942 -1.792 371 2HD2 LEU 74 2HD2 LEU 74 1.832 8.299 -2.237 372 3HD2 LEU 74 3HD2 LEU 74 0.128 8.768 -2.330 373 H ASN 75 H ASN 75 3.045 10.835 -0.859 374 HA ASN 75 HA ASN 75 2.415 13.259 0.680 375 1HB ASN 75 1HB ASN 75 4.227 12.886 -1.081 376 2HB ASN 75 2HB ASN 75 2.980 12.901 -2.311 377 1HD2 ASN 75 1HD2 ASN 75 5.252 14.665 -1.895 378 2HD2 ASN 75 2HD2 ASN 75 4.675 16.283 -1.626 379 H THR 76 H THR 76 -0.036 12.650 1.163 380 HA THR 76 HA THR 76 -1.752 12.167 -1.039 381 HB THR 76 HB THR 76 -3.537 12.803 0.630 382 HG1 THR 76 1HG THR 76 -2.668 14.562 1.686 383 1HG2 THR 76 1HG2 THR 76 -2.564 10.590 1.016 384 2HG2 THR 76 2HG2 THR 76 -1.250 11.304 1.994 385 3HG2 THR 76 3HG2 THR 76 -2.901 11.404 2.562 386 H ALA 77 H ALA 77 -0.049 15.017 -0.232 387 HA ALA 77 HA ALA 77 -2.018 16.973 -1.183 388 1HB ALA 77 1HB ALA 77 -0.318 18.537 -0.470 389 2HB ALA 77 2HB ALA 77 -0.513 17.344 0.832 390 3HB ALA 77 3HB ALA 77 0.876 17.256 -0.288 391 H SER 78 H SER 78 0.192 14.816 -2.578 392 HA SER 78 HA SER 78 0.972 16.570 -4.806 393 1HB SER 78 1HB SER 78 1.789 14.530 -5.811 394 2HB SER 78 2HB SER 78 2.495 14.700 -4.220 395 HG SER 78 HG SER 78 1.041 13.120 -3.459 396 H VAL 79 H VAL 79 -1.138 13.667 -4.280 397 HA VAL 79 HA VAL 79 -2.407 14.022 -6.756 398 HB VAL 79 HB VAL 79 -1.667 12.017 -6.226 399 1HG1 VAL 79 1HG1 VAL 79 -2.117 10.576 -4.292 400 2HG1 VAL 79 2HG1 VAL 79 -0.947 11.843 -4.142 401 3HG1 VAL 79 3HG1 VAL 79 -2.562 12.081 -3.426 402 1HG2 VAL 79 1HG2 VAL 79 -3.531 10.434 -6.185 403 2HG2 VAL 79 2HG2 VAL 79 -4.598 11.722 -5.560 404 3HG2 VAL 79 3HG2 VAL 79 -3.896 11.832 -7.183 405 H ALA 80 H ALA 80 -3.789 15.550 -6.981 406 HA ALA 80 HA ALA 80 -5.698 16.570 -5.167 407 1HB ALA 80 1HB ALA 80 -6.885 17.282 -7.227 408 2HB ALA 80 2HB ALA 80 -5.145 17.637 -7.286 409 3HB ALA 80 3HB ALA 80 -5.797 16.252 -8.192 410 H GLY 81 H GLY 81 -7.535 15.713 -4.373 411 1HA GLY 81 1HA GLY 81 -9.384 14.321 -4.234 412 2HA GLY 81 2HA GLY 81 -8.780 13.347 -5.572 413 H MET 82 H MET 82 -6.218 13.646 -3.292 414 HA MET 82 HA MET 82 -7.106 11.141 -1.922 415 1HB MET 82 1HB MET 82 -4.954 11.143 -3.195 416 2HB MET 82 2HB MET 82 -4.321 12.329 -2.036 417 1HG MET 82 1HG MET 82 -4.487 10.799 -0.226 418 2HG MET 82 2HG MET 82 -5.487 9.672 -1.139 419 1HE MET 82 1HE MET 82 -2.993 7.839 -3.463 420 2HE MET 82 2HE MET 82 -4.670 8.009 -2.904 421 3HE MET 82 3HE MET 82 -3.958 9.245 -3.953 422 H ASN 83 H ASN 83 -5.922 14.362 -1.215 423 HA ASN 83 HA ASN 83 -5.541 14.088 1.592 424 1HB ASN 83 1HB ASN 83 -5.352 16.552 1.513 425 2HB ASN 83 2HB ASN 83 -4.341 15.703 0.336 426 1HD2 ASN 83 1HD2 ASN 83 -4.919 15.865 -2.026 427 2HD2 ASN 83 2HD2 ASN 83 -6.082 17.097 -2.477 428 H LEU 84 H LEU 84 -8.373 13.463 0.439 429 HA LEU 84 HA LEU 84 -9.908 14.855 2.512 430 1HB LEU 84 1HB LEU 84 -11.815 14.511 0.734 431 2HB LEU 84 2HB LEU 84 -10.841 15.984 0.859 432 HG LEU 84 HG LEU 84 -11.272 15.333 -1.430 433 1HD1 LEU 84 1HD1 LEU 84 -9.359 16.080 -2.234 434 2HD1 LEU 84 2HD1 LEU 84 -8.976 16.292 -0.501 435 3HD1 LEU 84 3HD1 LEU 84 -8.370 14.882 -1.386 436 1HD2 LEU 84 1HD2 LEU 84 -9.530 12.878 -1.052 437 2HD2 LEU 84 2HD2 LEU 84 -11.300 12.841 -0.985 438 3HD2 LEU 84 3HD2 LEU 84 -10.513 13.365 -2.460 439 H LEU 85 H LEU 85 -8.723 11.869 1.528 440 HA LEU 85 HA LEU 85 -11.100 10.231 1.951 441 1HB LEU 85 1HB LEU 85 -8.150 9.798 1.419 442 2HB LEU 85 2HB LEU 85 -9.127 8.438 2.001 443 HG LEU 85 HG LEU 85 -10.080 10.086 -0.363 444 1HD1 LEU 85 1HD1 LEU 85 -7.690 9.374 -0.779 445 2HD1 LEU 85 2HD1 LEU 85 -8.250 7.694 -0.618 446 3HD1 LEU 85 3HD1 LEU 85 -8.891 8.726 -1.915 447 1HD2 LEU 85 1HD2 LEU 85 -11.030 7.859 -1.001 448 2HD2 LEU 85 2HD2 LEU 85 -10.360 7.141 0.469 449 3HD2 LEU 85 3HD2 LEU 85 -11.626 8.392 0.581 450 H ALA 86 H ALA 86 -11.308 8.706 3.679 451 HA ALA 86 HA ALA 86 -10.861 9.853 6.215 452 1HB ALA 86 1HB ALA 86 -12.087 7.876 7.008 453 2HB ALA 86 2HB ALA 86 -12.803 8.411 5.482 454 3HB ALA 86 3HB ALA 86 -11.706 7.001 5.530 455 H ASP 87 H ASP 87 -10.229 8.304 8.108 456 HA ASP 87 HA ASP 87 -7.441 7.453 7.925 457 1HB ASP 87 1HB ASP 87 -8.768 8.526 9.914 458 2HB ASP 87 2HB ASP 87 -9.420 6.898 10.169 459 HD2 ASP 87 HD ASP 87 -5.631 7.639 11.085 460 H ASP 88 H ASP 88 -10.319 6.017 7.087 461 HA ASP 88 HA ASP 88 -9.092 3.505 6.549 462 1HB ASP 88 1HB ASP 88 -9.676 3.018 8.839 463 2HB ASP 88 2HB ASP 88 -11.343 3.528 8.553 464 HD2 ASP 88 HD ASP 88 -11.786 0.108 7.873 465 H ALA 89 H ALA 89 -9.588 4.750 4.625 466 HA ALA 89 HA ALA 89 -12.012 3.625 3.419 467 1HB ALA 89 1HB ALA 89 -12.346 5.625 2.019 468 2HB ALA 89 2HB ALA 89 -12.670 5.943 3.736 469 3HB ALA 89 3HB ALA 89 -11.145 6.514 2.987 470 H CYS 90 H CYS 90 -9.741 2.441 3.539 471 HA CYS 90 HA CYS 90 -8.247 1.288 2.116 472 1HB CYS 90 1HB CYS 90 -10.962 1.345 0.795 473 2HB CYS 90 2HB CYS 90 -9.860 -0.022 0.913 474 HG CYS 90 HG CYS 90 -12.016 -0.498 2.321 475 H VAL 91 H VAL 91 -7.043 3.381 1.259 476 HA VAL 91 HA VAL 91 -8.234 4.991 -0.618 477 HB VAL 91 HB VAL 91 -5.302 4.530 0.053 478 1HG1 VAL 91 1HG1 VAL 91 -6.406 6.924 -1.447 479 2HG1 VAL 91 2HG1 VAL 91 -4.812 6.823 -0.720 480 3HG1 VAL 91 3HG1 VAL 91 -5.235 5.736 -2.032 481 1HG2 VAL 91 1HG2 VAL 91 -7.315 6.594 1.060 482 2HG2 VAL 91 2HG2 VAL 91 -6.672 5.231 1.965 483 3HG2 VAL 91 3HG2 VAL 91 -5.595 6.539 1.503 484 HA PRO 92 HA PRO 92 -7.372 2.937 -4.525 485 1HB PRO 92 1HB PRO 92 -7.749 4.965 -6.301 486 2HB PRO 92 2HB PRO 92 -9.094 4.197 -5.404 487 1HG PRO 92 1HG PRO 92 -7.568 6.703 -4.634 488 2HG PRO 92 2HG PRO 92 -9.342 6.519 -4.838 489 1HD PRO 92 1HD PRO 92 -8.190 6.295 -2.392 490 2HD PRO 92 2HD PRO 92 -9.488 5.173 -2.894 491 H LEU 93 H LEU 93 -5.123 3.088 -3.220 492 HA LEU 93 HA LEU 93 -3.219 5.108 -3.899 493 1HB LEU 93 1HB LEU 93 -3.202 3.738 -1.861 494 2HB LEU 93 2HB LEU 93 -2.831 2.293 -2.785 495 HG LEU 93 HG LEU 93 -1.025 3.487 -1.458 496 1HD1 LEU 93 1HD1 LEU 93 -0.129 2.843 -4.243 497 2HD1 LEU 93 2HD1 LEU 93 0.793 2.819 -2.746 498 3HD1 LEU 93 3HD1 LEU 93 -0.514 1.653 -2.980 499 1HD2 LEU 93 1HD2 LEU 93 -0.579 5.265 -3.835 500 2HD2 LEU 93 2HD2 LEU 93 -1.544 5.796 -2.426 501 3HD2 LEU 93 3HD2 LEU 93 0.143 5.327 -2.236 502 H THR 94 H THR 94 -4.342 2.362 -5.754 503 HA THR 94 HA THR 94 -2.047 2.745 -7.639 504 HB THR 94 HB THR 94 -2.462 0.307 -8.171 505 HG1 THR 94 1HG THR 94 -3.102 0.055 -5.466 506 1HG2 THR 94 1HG2 THR 94 -1.326 1.284 -5.500 507 2HG2 THR 94 2HG2 THR 94 -0.925 -0.243 -6.289 508 3HG2 THR 94 3HG2 THR 94 -0.510 1.354 -7.043 509 H THR 95 H THR 95 -5.155 3.683 -7.183 510 HA THR 95 HA THR 95 -5.840 3.397 -10.058 511 HB THR 95 HB THR 95 -7.572 3.378 -7.582 512 HG1 THR 95 1HG THR 95 -7.632 1.378 -9.495 513 1HG2 THR 95 1HG2 THR 95 -9.507 2.952 -9.033 514 2HG2 THR 95 2HG2 THR 95 -8.858 4.575 -9.255 515 3HG2 THR 95 3HG2 THR 95 -8.518 3.326 -10.471 516 H MET 96 H MET 96 -5.508 5.670 -7.329 517 HA MET 96 HA MET 96 -6.163 7.927 -9.164 518 1HB MET 96 1HB MET 96 -5.726 7.654 -6.177 519 2HB MET 96 2HB MET 96 -5.629 9.237 -6.999 520 1HG MET 96 1HG MET 96 -7.888 8.821 -7.943 521 2HG MET 96 2HG MET 96 -8.014 7.378 -6.943 522 1HE MET 96 1HE MET 96 -7.294 9.829 -3.501 523 2HE MET 96 2HE MET 96 -6.441 8.512 -4.282 524 3HE MET 96 3HE MET 96 -6.127 10.193 -4.796 525 H VAL 97 H VAL 97 -3.415 6.020 -8.131 526 HA VAL 97 HA VAL 97 -1.608 8.144 -9.001 527 HB VAL 97 HB VAL 97 -0.274 7.616 -7.361 528 1HG1 VAL 97 1HG1 VAL 97 -1.131 7.078 -5.217 529 2HG1 VAL 97 2HG1 VAL 97 -2.301 8.070 -6.089 530 3HG1 VAL 97 3HG1 VAL 97 -2.569 6.328 -5.943 531 1HG2 VAL 97 1HG2 VAL 97 0.807 5.930 -7.961 532 2HG2 VAL 97 2HG2 VAL 97 0.304 5.568 -6.326 533 3HG2 VAL 97 3HG2 VAL 97 -0.566 4.804 -7.706 534 H GLN 98 H GLN 98 0.007 7.477 -10.388 535 HA GLN 98 HA GLN 98 -0.395 4.835 -11.731 536 1HB GLN 98 1HB GLN 98 -0.620 7.099 -12.998 537 2HB GLN 98 2HB GLN 98 1.134 7.204 -12.848 538 1HG GLN 98 1HG GLN 98 1.250 4.918 -13.980 539 2HG GLN 98 2HG GLN 98 -0.508 5.003 -14.219 540 1HE2 GLN 98 1HE2 GLN 98 1.822 4.966 -16.139 541 2HE2 GLN 98 2HE2 GLN 98 1.703 6.400 -17.151 542 H ASP 99 H ASP 99 1.646 3.718 -12.291 543 HA ASP 99 HA ASP 99 3.737 3.006 -12.135 544 1HB ASP 99 1HB ASP 99 4.352 5.504 -12.106 545 2HB ASP 99 2HB ASP 99 4.595 5.293 -10.364 546 HD2 ASP 99 HD ASP 99 7.447 3.249 -10.948 547 H ALA 100 H ALA 100 2.279 4.157 -9.091 548 HA ALA 100 HA ALA 100 3.708 2.364 -7.350 549 1HB ALA 100 1HB ALA 100 1.878 2.792 -5.747 550 2HB ALA 100 2HB ALA 100 2.260 4.310 -6.583 551 3HB ALA 100 3HB ALA 100 0.841 3.311 -7.047 552 H THR 101 H THR 101 2.715 0.536 -6.192 553 HA THR 101 HA THR 101 0.665 -1.007 -7.511 554 HB THR 101 HB THR 101 2.333 -3.028 -7.703 555 HG1 THR 101 1HG THR 101 4.108 -2.052 -6.690 556 1HG2 THR 101 1HG2 THR 101 1.381 -1.788 -9.694 557 2HG2 THR 101 2HG2 THR 101 2.897 -0.859 -9.746 558 3HG2 THR 101 3HG2 THR 101 2.927 -2.614 -9.962 559 H ALA 102 H ALA 102 0.247 -3.147 -6.141 560 HA ALA 102 HA ALA 102 1.578 -3.263 -3.540 561 1HB ALA 102 1HB ALA 102 -0.579 -3.313 -2.373 562 2HB ALA 102 2HB ALA 102 -0.373 -1.763 -3.208 563 3HB ALA 102 3HB ALA 102 -1.446 -3.007 -3.894 564 H HIS 103 H HIS 103 2.511 -5.209 -4.266 565 HA HIS 103 HA HIS 103 0.709 -7.512 -4.890 566 1HB HIS 103 1HB HIS 103 2.258 -7.427 -6.555 567 2HB HIS 103 2HB HIS 103 3.546 -6.798 -5.529 568 HD1 HIS 103 1HD HIS 103 5.145 -8.648 -6.656 569 HD2 HIS 103 2HD HIS 103 1.839 -10.164 -4.563 570 HE1 HIS 103 1HE HIS 103 5.643 -11.097 -6.165 571 HE2 HIS 103 2HE HIS 103 3.666 -12.025 -4.840 572 H LEU 104 H LEU 104 0.151 -8.656 -3.178 573 HA LEU 104 HA LEU 104 1.701 -8.779 -0.653 574 1HB LEU 104 1HB LEU 104 -0.536 -8.591 -0.254 575 2HB LEU 104 2HB LEU 104 -1.040 -9.677 -1.535 576 HG LEU 104 HG LEU 104 -1.330 -10.386 0.800 577 1HD1 LEU 104 1HD1 LEU 104 -1.652 -11.936 -0.953 578 2HD1 LEU 104 2HD1 LEU 104 0.029 -12.500 -0.773 579 3HD1 LEU 104 3HD1 LEU 104 -1.126 -12.647 0.563 580 1HD2 LEU 104 1HD2 LEU 104 0.414 -11.243 2.149 581 2HD2 LEU 104 2HD2 LEU 104 1.608 -11.066 0.858 582 3HD2 LEU 104 3HD2 LEU 104 0.901 -9.619 1.611 583 H ASP 105 H ASP 105 3.480 -10.019 -0.804 584 HA ASP 105 HA ASP 105 3.560 -12.430 -2.499 585 1HB ASP 105 1HB ASP 105 5.249 -10.314 -2.229 586 2HB ASP 105 2HB ASP 105 5.998 -11.375 -1.081 587 HD2 ASP 105 HD ASP 105 6.343 -13.577 -4.132 588 H VAL 106 H VAL 106 2.047 -13.464 -0.877 589 HA VAL 106 HA VAL 106 2.558 -13.579 1.837 590 HB VAL 106 HB VAL 106 0.563 -14.337 0.395 591 1HG1 VAL 106 1HG1 VAL 106 1.808 -17.082 0.620 592 2HG1 VAL 106 2HG1 VAL 106 0.219 -16.645 -0.035 593 3HG1 VAL 106 3HG1 VAL 106 1.678 -16.138 -0.881 594 1HG2 VAL 106 1HG2 VAL 106 1.292 -15.918 2.860 595 2HG2 VAL 106 2HG2 VAL 106 0.614 -14.267 2.825 596 3HG2 VAL 106 3HG2 VAL 106 -0.337 -15.626 2.220 597 H GLY 107 H GLY 107 3.995 -15.548 -0.775 598 1HA GLY 107 1HA GLY 107 5.172 -17.424 0.969 599 2HA GLY 107 2HA GLY 107 5.657 -17.141 -0.703 600 H GLN 108 H GLN 108 6.273 -14.128 -0.055 601 HA GLN 108 HA GLN 108 8.897 -14.703 1.194 602 1HB GLN 108 1HB GLN 108 7.971 -12.105 -0.040 603 2HB GLN 108 2HB GLN 108 9.632 -12.605 0.346 604 1HG GLN 108 1HG GLN 108 7.829 -13.614 -1.863 605 2HG GLN 108 2HG GLN 108 9.352 -12.752 -2.045 606 1HE2 GLN 108 1HE2 GLN 108 8.508 -15.331 -3.203 607 2HE2 GLN 108 2HE2 GLN 108 9.428 -16.633 -2.499 608 H GLN 109 H GLN 109 5.905 -13.958 2.268 609 HA GLN 109 HA GLN 109 4.887 -12.601 3.648 610 1HB GLN 109 1HB GLN 109 7.283 -13.102 5.438 611 2HB GLN 109 2HB GLN 109 5.726 -12.367 5.940 612 1HG GLN 109 1HG GLN 109 4.698 -14.522 4.837 613 2HG GLN 109 2HG GLN 109 6.304 -15.208 5.111 614 1HE2 GLN 109 1HE2 GLN 109 3.489 -13.603 6.782 615 2HE2 GLN 109 2HE2 GLN 109 3.823 -14.431 8.298 616 H ARG 110 H ARG 110 5.929 -11.244 1.627 617 HA ARG 110 HA ARG 110 6.762 -8.651 2.881 618 1HB ARG 110 1HB ARG 110 8.631 -9.629 1.593 619 2HB ARG 110 2HB ARG 110 7.576 -9.702 0.163 620 1HG ARG 110 1HG ARG 110 7.292 -7.189 0.366 621 2HG ARG 110 2HG ARG 110 8.576 -7.219 1.585 622 1HD ARG 110 1HD ARG 110 8.912 -8.416 -1.194 623 2HD ARG 110 2HD ARG 110 9.305 -6.722 -0.820 624 HE ARG 110 HE ARG 110 10.587 -8.470 1.055 625 1HH1 ARG 110 2HH2 ARG 110 10.897 -8.395 -2.410 626 2HH1 ARG 110 1HH2 ARG 110 12.603 -8.130 -2.419 627 1HH2 ARG 110 2HH1 ARG 110 12.773 -8.207 1.151 628 2HH2 ARG 110 1HH1 ARG 110 13.744 -8.228 -0.287 629 H LEU 111 H LEU 111 5.398 -7.027 2.413 630 HA LEU 111 HA LEU 111 3.422 -7.380 0.269 631 1HB LEU 111 1HB LEU 111 2.308 -6.551 2.126 632 2HB LEU 111 2HB LEU 111 3.618 -5.454 2.558 633 HG LEU 111 HG LEU 111 3.050 -4.060 0.594 634 1HD1 LEU 111 1HD1 LEU 111 2.168 -5.666 -0.954 635 2HD1 LEU 111 2HD1 LEU 111 0.837 -6.095 0.124 636 3HD1 LEU 111 3HD1 LEU 111 0.919 -4.488 -0.629 637 1HD2 LEU 111 1HD2 LEU 111 0.492 -3.747 1.670 638 2HD2 LEU 111 2HD2 LEU 111 1.395 -4.570 2.980 639 3HD2 LEU 111 3HD2 LEU 111 1.996 -3.067 2.300 640 H ASN 112 H ASN 112 4.501 -7.000 -1.601 641 HA ASN 112 HA ASN 112 6.786 -5.161 -1.875 642 1HB ASN 112 1HB ASN 112 5.017 -6.573 -3.913 643 2HB ASN 112 2HB ASN 112 6.363 -5.475 -4.314 644 1HD2 ASN 112 1HD2 ASN 112 5.541 -8.571 -2.865 645 2HD2 ASN 112 2HD2 ASN 112 6.977 -9.420 -3.273 646 H LEU 113 H LEU 113 6.364 -2.994 -1.810 647 HA LEU 113 HA LEU 113 3.853 -1.978 -2.992 648 1HB LEU 113 1HB LEU 113 4.436 -2.181 -0.308 649 2HB LEU 113 2HB LEU 113 5.129 -0.610 -0.678 650 HG LEU 113 HG LEU 113 2.830 -0.584 0.301 651 1HD1 LEU 113 1HD1 LEU 113 3.450 1.377 -0.934 652 2HD1 LEU 113 2HD1 LEU 113 3.007 0.622 -2.485 653 3HD1 LEU 113 3HD1 LEU 113 1.763 1.001 -1.277 654 1HD2 LEU 113 1HD2 LEU 113 0.963 -1.450 -0.703 655 2HD2 LEU 113 2HD2 LEU 113 1.711 -1.481 -2.311 656 3HD2 LEU 113 3HD2 LEU 113 2.180 -2.681 -1.096 657 H THR 114 H THR 114 4.255 -0.196 -4.331 658 HA THR 114 HA THR 114 6.921 1.059 -4.137 659 HB THR 114 HB THR 114 5.411 0.484 -6.755 660 HG1 THR 114 1HG THR 114 7.113 -0.916 -7.241 661 1HG2 THR 114 1HG2 THR 114 6.900 2.498 -6.816 662 2HG2 THR 114 2HG2 THR 114 8.272 1.483 -6.322 663 3HG2 THR 114 3HG2 THR 114 7.464 1.237 -7.883 664 H ILE 115 H ILE 115 6.772 3.320 -4.475 665 HA ILE 115 HA ILE 115 4.319 4.400 -5.572 666 HB ILE 115 HB ILE 115 5.364 5.279 -2.862 667 1HG1 ILE 115 1HG1 ILE 115 2.584 4.475 -3.843 668 2HG1 ILE 115 2HG1 ILE 115 3.641 3.487 -2.809 669 1HG2 ILE 115 1HG2 ILE 115 3.255 6.781 -4.435 670 2HG2 ILE 115 2HG2 ILE 115 3.998 7.239 -2.882 671 3HG2 ILE 115 3HG2 ILE 115 4.956 7.292 -4.320 672 1HD1 ILE 115 1HD1 ILE 115 2.266 6.068 -2.102 673 2HD1 ILE 115 2HD1 ILE 115 2.087 4.470 -1.327 674 3HD1 ILE 115 3HD1 ILE 115 3.597 5.400 -1.152 675 HA PRO 116 HA PRO 116 7.637 6.415 -7.724 676 1HB PRO 116 1HB PRO 116 6.240 8.494 -8.874 677 2HB PRO 116 2HB PRO 116 6.124 6.838 -9.490 678 1HG PRO 116 1HG PRO 116 4.271 8.244 -7.567 679 2HG PRO 116 2HG PRO 116 3.839 7.279 -9.015 680 1HD PRO 116 1HD PRO 116 3.760 6.207 -6.537 681 2HD PRO 116 2HD PRO 116 4.370 5.244 -7.901 682 H GLN 117 H GLN 117 8.897 8.237 -7.521 683 HA GLN 117 HA GLN 117 8.906 9.641 -5.046 684 1HB GLN 117 1HB GLN 117 10.312 10.127 -7.675 685 2HB GLN 117 2HB GLN 117 10.490 11.277 -6.319 686 1HG GLN 117 1HG GLN 117 11.240 8.341 -6.295 687 2HG GLN 117 2HG GLN 117 12.328 9.756 -6.295 688 1HE2 GLN 117 1HE2 GLN 117 11.822 7.442 -4.252 689 2HE2 GLN 117 2HE2 GLN 117 11.575 8.331 -2.746 690 H ALA 118 H ALA 118 7.092 10.380 -7.905 691 HA ALA 118 HA ALA 118 6.560 13.114 -7.379 692 1HB ALA 118 1HB ALA 118 5.002 10.908 -8.752 693 2HB ALA 118 2HB ALA 118 4.464 12.610 -8.722 694 3HB ALA 118 3HB ALA 118 6.002 12.163 -9.501 695 H PHE 119 H PHE 119 5.048 10.075 -5.912 696 HA PHE 119 HA PHE 119 3.154 11.870 -4.505 697 1HB PHE 119 1HB PHE 119 3.151 8.905 -5.120 698 2HB PHE 119 2HB PHE 119 1.959 9.716 -4.097 699 HD1 PHE 119 1HD PHE 119 3.332 10.303 -7.557 700 HD2 PHE 119 2HD PHE 119 -0.131 9.748 -5.106 701 HE1 PHE 119 1HE PHE 119 1.936 10.517 -9.528 702 HE2 PHE 119 2HE PHE 119 -1.557 9.951 -7.154 703 HZ PHE 119 HZ PHE 119 -0.522 10.310 -9.369 704 H MET 120 H MET 120 5.938 11.821 -3.789 705 HA MET 120 HA MET 120 5.831 10.449 -1.127 706 1HB MET 120 1HB MET 120 8.137 10.737 -3.087 707 2HB MET 120 2HB MET 120 8.334 10.226 -1.399 708 1HG MET 120 1HG MET 120 6.251 8.676 -2.693 709 2HG MET 120 2HG MET 120 7.732 8.620 -3.657 710 1HE MET 120 1HE MET 120 7.291 7.137 0.732 711 2HE MET 120 2HE MET 120 7.207 8.858 0.323 712 3HE MET 120 3HE MET 120 5.952 7.736 -0.258 713 H SER 121 H SER 121 6.849 11.611 0.551 714 HA SER 121 HA SER 121 7.150 14.508 -0.002 715 1HB SER 121 1HB SER 121 5.284 13.584 1.466 716 2HB SER 121 2HB SER 121 6.539 13.301 2.682 717 HG SER 121 HG SER 121 5.392 15.455 2.629 718 H ASN 122 H ASN 122 9.366 13.276 -0.739 719 HA ASN 122 HA ASN 122 11.585 12.837 -0.427 720 1HB ASN 122 1HB ASN 122 11.146 15.262 -0.816 721 2HB ASN 122 2HB ASN 122 11.321 15.528 0.928 722 1HD2 ASN 122 1HD2 ASN 122 13.122 17.043 -0.040 723 2HD2 ASN 122 2HD2 ASN 122 14.691 16.277 -0.126 724 H ARG 123 H ARG 123 10.372 11.387 1.617 725 HA ARG 123 HA ARG 123 12.521 11.272 3.605 726 1HB ARG 123 1HB ARG 123 10.063 12.637 4.267 727 2HB ARG 123 2HB ARG 123 10.325 11.229 5.304 728 1HG ARG 123 1HG ARG 123 12.320 13.470 4.792 729 2HG ARG 123 2HG ARG 123 11.308 13.284 6.243 730 1HD ARG 123 1HD ARG 123 12.508 11.224 6.837 731 2HD ARG 123 2HD ARG 123 13.526 11.368 5.387 732 HE ARG 123 HE ARG 123 13.923 13.760 6.552 733 1HH1 ARG 123 2HH2 ARG 123 14.422 10.344 7.614 734 2HH1 ARG 123 1HH2 ARG 123 15.704 10.764 8.652 735 1HH2 ARG 123 2HH1 ARG 123 15.619 14.239 8.109 736 2HH2 ARG 123 1HH1 ARG 123 16.475 12.892 8.835 737 H ALA 124 H ALA 124 9.204 10.074 3.078 738 HA ALA 124 HA ALA 124 8.235 8.156 3.494 739 1HB ALA 124 1HB ALA 124 10.849 6.685 3.046 740 2HB ALA 124 2HB ALA 124 9.205 6.030 2.990 741 3HB ALA 124 3HB ALA 124 9.720 7.180 1.754 742 H ARG 125 H ARG 125 10.913 8.937 5.355 743 HA ARG 125 HA ARG 125 11.494 8.950 7.485 744 1HB ARG 125 1HB ARG 125 8.873 7.744 8.334 745 2HB ARG 125 2HB ARG 125 10.032 8.644 9.323 746 1HG ARG 125 1HG ARG 125 8.413 9.776 7.011 747 2HG ARG 125 2HG ARG 125 7.979 9.924 8.708 748 1HD ARG 125 1HD ARG 125 10.480 11.039 7.384 749 2HD ARG 125 2HD ARG 125 9.013 11.964 7.781 750 HE ARG 125 HE ARG 125 11.214 11.578 9.428 751 1HH1 ARG 125 2HH2 ARG 125 7.785 10.982 10.033 752 2HH1 ARG 125 1HH2 ARG 125 7.696 11.938 11.463 753 1HH2 ARG 125 2HH1 ARG 125 11.151 12.857 11.268 754 2HH2 ARG 125 1HH1 ARG 125 9.721 12.987 12.238 Start of MODEL 20 1 1H GLY 25 H GLY 25 -9.034 -13.441 -13.483 2 1HA GLY 25 1HA GLY 25 -6.251 -14.195 -12.781 3 2HA GLY 25 2HA GLY 25 -6.745 -12.534 -13.155 4 H GLN 26 H GLN 26 -7.848 -15.248 -11.001 5 HA GLN 26 HA GLN 26 -7.577 -13.483 -8.706 6 1HB GLN 26 1HB GLN 26 -9.836 -13.022 -8.899 7 2HB GLN 26 2HB GLN 26 -10.207 -14.606 -9.639 8 1HG GLN 26 1HG GLN 26 -11.262 -14.558 -7.570 9 2HG GLN 26 2HG GLN 26 -9.922 -15.675 -7.415 10 1HE2 GLN 26 1HE2 GLN 26 -7.755 -13.593 -6.694 11 2HE2 GLN 26 2HE2 GLN 26 -8.258 -13.189 -5.100 12 H GLU 27 H GLU 27 -6.111 -14.626 -7.651 13 HA GLU 27 HA GLU 27 -6.291 -17.581 -7.557 14 1HB GLU 27 1HB GLU 27 -3.815 -17.536 -8.011 15 2HB GLU 27 2HB GLU 27 -4.789 -16.918 -9.369 16 1HG GLU 27 1HG GLU 27 -4.280 -14.631 -8.782 17 2HG GLU 27 2HG GLU 27 -3.498 -15.122 -7.272 18 HE2 GLU 27 HE GLU 27 -1.465 -15.669 -10.683 19 H LEU 28 H LEU 28 -6.784 -15.261 -5.713 20 HA LEU 28 HA LEU 28 -5.430 -16.221 -3.310 21 1HB LEU 28 1HB LEU 28 -4.024 -14.517 -4.836 22 2HB LEU 28 2HB LEU 28 -4.936 -13.330 -3.922 23 HG LEU 28 HG LEU 28 -2.692 -13.759 -3.063 24 1HD1 LEU 28 1HD1 LEU 28 -3.699 -12.926 -1.287 25 2HD1 LEU 28 2HD1 LEU 28 -5.059 -14.071 -1.321 26 3HD1 LEU 28 3HD1 LEU 28 -3.487 -14.532 -0.612 27 1HD2 LEU 28 1HD2 LEU 28 -2.549 -16.153 -3.695 28 2HD2 LEU 28 2HD2 LEU 28 -1.956 -15.744 -2.080 29 3HD2 LEU 28 3HD2 LEU 28 -3.533 -16.551 -2.257 30 HA PRO 29 HA PRO 29 -9.701 -14.720 -2.992 31 1HB PRO 29 1HB PRO 29 -10.589 -16.225 -0.883 32 2HB PRO 29 2HB PRO 29 -10.334 -16.906 -2.519 33 1HG PRO 29 1HG PRO 29 -8.438 -16.982 -0.160 34 2HG PRO 29 2HG PRO 29 -8.926 -18.341 -1.226 35 1HD PRO 29 1HD PRO 29 -6.598 -16.968 -1.605 36 2HD PRO 29 2HD PRO 29 -7.561 -17.526 -3.000 37 HA PRO 30 HA PRO 30 -8.949 -11.450 -0.227 38 1HB PRO 30 1HB PRO 30 -11.395 -10.414 0.360 39 2HB PRO 30 2HB PRO 30 -10.556 -10.268 -1.215 40 1HG PRO 30 1HG PRO 30 -12.691 -12.236 -0.420 41 2HG PRO 30 2HG PRO 30 -12.561 -11.290 -1.945 42 1HD PRO 30 1HD PRO 30 -11.758 -13.903 -1.732 43 2HD PRO 30 2HD PRO 30 -10.926 -12.751 -2.800 44 H GLY 31 H GLY 31 -9.432 -10.481 2.064 45 1HA GLY 31 1HA GLY 31 -10.161 -11.744 4.311 46 2HA GLY 31 2HA GLY 31 -8.960 -12.888 3.716 47 H THR 32 H THR 32 -7.427 -12.534 5.381 48 HA THR 32 HA THR 32 -5.848 -10.117 4.881 49 HB THR 32 HB THR 32 -7.337 -9.630 6.830 50 HG1 THR 32 1HG THR 32 -4.601 -9.673 7.485 51 1HG2 THR 32 1HG2 THR 32 -6.796 -10.612 9.013 52 2HG2 THR 32 2HG2 THR 32 -7.228 -11.931 7.906 53 3HG2 THR 32 3HG2 THR 32 -5.519 -11.617 8.290 54 H TYR 33 H TYR 33 -3.700 -10.352 5.795 55 HA TYR 33 HA TYR 33 -2.406 -12.954 5.793 56 1HB TYR 33 1HB TYR 33 -0.677 -12.105 4.303 57 2HB TYR 33 2HB TYR 33 -2.228 -12.155 3.473 58 HD1 TYR 33 1HD TYR 33 -2.771 -10.291 2.120 59 HD2 TYR 33 2HD TYR 33 -0.120 -9.477 5.374 60 HE1 TYR 33 1HE TYR 33 -2.457 -8.090 1.251 61 HE2 TYR 33 2HE TYR 33 0.064 -7.190 4.466 62 HH TYR 33 HH TYR 33 -0.202 -5.803 2.544 63 H ARG 34 H ARG 34 0.094 -12.222 6.312 64 HA ARG 34 HA ARG 34 0.192 -9.960 8.164 65 1HB ARG 34 1HB ARG 34 -0.422 -11.851 9.532 66 2HB ARG 34 2HB ARG 34 0.761 -12.910 8.728 67 1HG ARG 34 1HG ARG 34 1.497 -12.262 10.951 68 2HG ARG 34 2HG ARG 34 2.585 -11.657 9.684 69 1HD ARG 34 1HD ARG 34 2.464 -9.721 10.807 70 2HD ARG 34 2HD ARG 34 0.903 -9.503 10.007 71 HE ARG 34 HE ARG 34 -0.204 -9.833 11.939 72 1HH1 ARG 34 2HH2 ARG 34 3.089 -11.216 12.531 73 2HH1 ARG 34 1HH2 ARG 34 2.689 -11.536 14.189 74 1HH2 ARG 34 2HH1 ARG 34 -0.537 -10.213 14.128 75 2HH2 ARG 34 1HH1 ARG 34 0.684 -11.050 15.063 76 H VAL 35 H VAL 35 1.927 -8.705 7.330 77 HA VAL 35 HA VAL 35 4.475 -9.937 6.484 78 HB VAL 35 HB VAL 35 4.285 -8.885 4.291 79 1HG1 VAL 35 1HG1 VAL 35 1.670 -10.372 4.343 80 2HG1 VAL 35 2HG1 VAL 35 2.856 -10.154 3.062 81 3HG1 VAL 35 3HG1 VAL 35 3.241 -11.191 4.435 82 1HG2 VAL 35 1HG2 VAL 35 1.747 -7.712 5.398 83 2HG2 VAL 35 2HG2 VAL 35 3.068 -6.936 4.542 84 3HG2 VAL 35 3HG2 VAL 35 1.962 -7.992 3.639 85 H ASP 36 H ASP 36 5.679 -8.155 5.408 86 HA ASP 36 HA ASP 36 5.654 -5.828 7.252 87 1HB ASP 36 1HB ASP 36 7.989 -6.830 5.616 88 2HB ASP 36 2HB ASP 36 7.842 -5.468 6.780 89 HD2 ASP 36 HD ASP 36 9.401 -8.402 8.363 90 H ILE 37 H ILE 37 5.022 -4.066 6.260 91 HA ILE 37 HA ILE 37 4.350 -3.844 3.420 92 HB ILE 37 HB ILE 37 4.334 -1.850 5.718 93 1HG1 ILE 37 1HG1 ILE 37 1.791 -2.029 5.258 94 2HG1 ILE 37 2HG1 ILE 37 2.161 -3.553 4.442 95 1HG2 ILE 37 1HG2 ILE 37 4.621 -0.717 3.544 96 2HG2 ILE 37 2HG2 ILE 37 3.219 -1.593 2.888 97 3HG2 ILE 37 3HG2 ILE 37 3.015 -0.417 4.208 98 1HD1 ILE 37 1HD1 ILE 37 2.870 -4.582 6.515 99 2HD1 ILE 37 2HD1 ILE 37 2.803 -3.012 7.363 100 3HD1 ILE 37 3HD1 ILE 37 1.324 -3.786 6.766 101 H TYR 38 H TYR 38 5.832 -3.386 1.942 102 HA TYR 38 HA TYR 38 8.423 -2.207 2.749 103 1HB TYR 38 1HB TYR 38 7.774 -4.852 1.962 104 2HB TYR 38 2HB TYR 38 8.618 -4.141 0.597 105 HD1 TYR 38 1HD TYR 38 8.938 -5.055 4.193 106 HD2 TYR 38 2HD TYR 38 10.885 -3.673 0.623 107 HE1 TYR 38 1HE TYR 38 11.154 -5.497 5.223 108 HE2 TYR 38 2HE TYR 38 13.094 -4.001 1.668 109 HH TYR 38 HH TYR 38 14.192 -5.081 3.376 110 H LEU 39 H LEU 39 8.247 -0.247 1.780 111 HA LEU 39 HA LEU 39 6.804 -0.041 -0.777 112 1HB LEU 39 1HB LEU 39 6.300 1.594 1.036 113 2HB LEU 39 2HB LEU 39 8.014 2.078 1.050 114 HG LEU 39 HG LEU 39 7.635 2.623 -1.501 115 1HD1 LEU 39 1HD1 LEU 39 4.801 2.515 -0.417 116 2HD1 LEU 39 2HD1 LEU 39 5.271 3.210 -1.983 117 3HD1 LEU 39 3HD1 LEU 39 5.456 1.481 -1.710 118 1HD2 LEU 39 1HD2 LEU 39 7.972 4.296 0.285 119 2HD2 LEU 39 2HD2 LEU 39 6.869 4.828 -0.994 120 3HD2 LEU 39 3HD2 LEU 39 6.230 4.270 0.585 121 H ASN 40 H ASN 40 8.016 0.084 -2.667 122 HA ASN 40 HA ASN 40 9.837 0.241 -4.070 123 1HB ASN 40 1HB ASN 40 10.454 2.608 -2.267 124 2HB ASN 40 2HB ASN 40 11.095 2.344 -3.903 125 1HD2 ASN 40 1HD2 ASN 40 9.596 4.672 -2.827 126 2HD2 ASN 40 2HD2 ASN 40 8.240 4.869 -3.904 127 H ASN 41 H ASN 41 10.210 -1.722 -2.236 128 HA ASN 41 HA ASN 41 11.654 -3.137 -1.386 129 1HB ASN 41 1HB ASN 41 13.300 -1.676 -3.319 130 2HB ASN 41 2HB ASN 41 14.219 -2.573 -2.090 131 1HD2 ASN 41 1HD2 ASN 41 12.021 -2.946 -4.870 132 2HD2 ASN 41 2HD2 ASN 41 12.277 -4.678 -4.920 133 H GLY 42 H GLY 42 10.829 -1.023 0.426 134 1HA GLY 42 1HA GLY 42 13.053 -1.315 2.353 135 2HA GLY 42 2HA GLY 42 12.496 0.300 1.883 136 H TYR 43 H TYR 43 12.202 -1.894 4.275 137 HA TYR 43 HA TYR 43 9.516 -2.399 4.942 138 1HB TYR 43 1HB TYR 43 11.234 -3.358 6.270 139 2HB TYR 43 2HB TYR 43 12.060 -1.800 6.491 140 HD1 TYR 43 1HD TYR 43 11.681 -0.463 8.399 141 HD2 TYR 43 2HD TYR 43 8.947 -3.661 7.451 142 HE1 TYR 43 1HE TYR 43 10.539 -0.111 10.550 143 HE2 TYR 43 2HE TYR 43 7.807 -3.315 9.599 144 HH TYR 43 HH TYR 43 9.010 -1.164 12.106 145 H MET 44 H MET 44 7.891 -1.145 5.642 146 HA MET 44 HA MET 44 8.434 1.582 6.763 147 1HB MET 44 1HB MET 44 6.170 0.780 4.914 148 2HB MET 44 2HB MET 44 6.338 2.389 5.615 149 1HG MET 44 1HG MET 44 8.526 1.245 3.889 150 2HG MET 44 2HG MET 44 7.028 1.939 3.192 151 1HE MET 44 1HE MET 44 10.467 4.421 5.048 152 2HE MET 44 2HE MET 44 9.749 3.109 5.993 153 3HE MET 44 3HE MET 44 10.623 2.749 4.478 154 H ALA 45 H ALA 45 6.474 -1.440 6.938 155 HA ALA 45 HA ALA 45 5.750 -0.889 9.691 156 1HB ALA 45 1HB ALA 45 3.984 0.425 8.720 157 2HB ALA 45 2HB ALA 45 3.602 -0.843 7.544 158 3HB ALA 45 3HB ALA 45 3.281 -1.104 9.268 159 H THR 46 H THR 46 4.475 -2.774 10.591 160 HA THR 46 HA THR 46 4.628 -5.283 9.040 161 HB THR 46 HB THR 46 5.624 -4.883 11.900 162 HG1 THR 46 1HG THR 46 7.027 -6.129 9.771 163 1HG2 THR 46 1HG2 THR 46 4.351 -6.939 11.877 164 2HG2 THR 46 2HG2 THR 46 5.103 -7.450 10.350 165 3HG2 THR 46 3HG2 THR 46 6.059 -7.359 11.845 166 H ARG 47 H ARG 47 2.532 -6.139 9.124 167 HA ARG 47 HA ARG 47 1.011 -6.422 11.411 168 1HB ARG 47 1HB ARG 47 -0.912 -4.790 10.722 169 2HB ARG 47 2HB ARG 47 0.386 -4.224 11.786 170 1HG ARG 47 1HG ARG 47 0.986 -2.613 10.373 171 2HG ARG 47 2HG ARG 47 0.956 -3.644 8.952 172 1HD ARG 47 1HD ARG 47 -0.698 -1.878 8.714 173 2HD ARG 47 2HD ARG 47 -1.535 -3.417 8.870 174 HE ARG 47 HE ARG 47 -1.074 -1.440 11.068 175 1HH1 ARG 47 2HH2 ARG 47 -3.397 -3.598 9.433 176 2HH1 ARG 47 1HH2 ARG 47 -4.718 -2.979 10.385 177 1HH2 ARG 47 2HH1 ARG 47 -2.740 -1.098 12.585 178 2HH2 ARG 47 1HH1 ARG 47 -4.242 -1.952 12.479 179 H ASP 48 H ASP 48 -1.381 -6.849 10.809 180 HA ASP 48 HA ASP 48 -1.465 -8.377 8.328 181 1HB ASP 48 1HB ASP 48 -3.580 -7.856 10.461 182 2HB ASP 48 2HB ASP 48 -3.764 -8.964 9.094 183 HD2 ASP 48 HD ASP 48 -1.542 -10.094 12.190 184 H VAL 49 H VAL 49 -2.934 -7.717 6.539 185 HA VAL 49 HA VAL 49 -3.674 -4.857 6.530 186 HB VAL 49 HB VAL 49 -2.117 -6.390 4.577 187 1HG1 VAL 49 1HG1 VAL 49 -1.632 -4.193 3.515 188 2HG1 VAL 49 2HG1 VAL 49 -3.250 -4.865 3.389 189 3HG1 VAL 49 3HG1 VAL 49 -2.952 -3.519 4.534 190 1HG2 VAL 49 1HG2 VAL 49 -1.095 -4.318 6.492 191 2HG2 VAL 49 2HG2 VAL 49 -0.636 -6.050 6.381 192 3HG2 VAL 49 3HG2 VAL 49 -0.198 -4.950 5.083 193 H THR 50 H THR 50 -5.935 -5.919 6.791 194 HA THR 50 HA THR 50 -6.958 -7.942 5.305 195 HB THR 50 HB THR 50 -8.267 -5.344 6.091 196 HG1 THR 50 1HG THR 50 -8.835 -6.681 7.969 197 1HG2 THR 50 1HG2 THR 50 -9.570 -8.040 5.737 198 2HG2 THR 50 2HG2 THR 50 -10.337 -6.517 6.302 199 3HG2 THR 50 3HG2 THR 50 -9.701 -6.623 4.661 200 H PHE 51 H PHE 51 -7.680 -8.315 3.116 201 HA PHE 51 HA PHE 51 -7.538 -6.051 1.303 202 1HB PHE 51 1HB PHE 51 -6.395 -7.646 -0.246 203 2HB PHE 51 2HB PHE 51 -5.412 -7.245 1.167 204 HD1 PHE 51 1HD PHE 51 -4.840 -8.921 2.825 205 HD2 PHE 51 2HD PHE 51 -7.413 -9.875 -0.467 206 HE1 PHE 51 1HE PHE 51 -4.464 -11.376 3.184 207 HE2 PHE 51 2HE PHE 51 -6.975 -12.274 -0.118 208 HZ PHE 51 HZ PHE 51 -5.628 -13.045 1.804 209 H ASN 52 H ASN 52 -8.779 -6.392 -0.529 210 HA ASN 52 HA ASN 52 -11.113 -8.216 -0.216 211 1HB ASN 52 1HB ASN 52 -12.406 -6.066 -0.923 212 2HB ASN 52 2HB ASN 52 -11.976 -6.327 0.781 213 1HD2 ASN 52 1HD2 ASN 52 -10.503 -5.004 1.817 214 2HD2 ASN 52 2HD2 ASN 52 -9.906 -3.522 1.086 215 H THR 53 H THR 53 -12.487 -8.141 -2.246 216 HA THR 53 HA THR 53 -10.920 -8.892 -4.420 217 HB THR 53 HB THR 53 -13.591 -7.831 -5.142 218 HG1 THR 53 1HG THR 53 -14.741 -9.323 -3.936 219 1HG2 THR 53 1HG2 THR 53 -13.857 -10.179 -5.926 220 2HG2 THR 53 2HG2 THR 53 -12.315 -9.495 -6.462 221 3HG2 THR 53 3HG2 THR 53 -12.350 -10.618 -5.085 222 H GLY 54 H GLY 54 -10.061 -7.769 -6.207 223 1HA GLY 54 1HA GLY 54 -10.722 -5.055 -6.817 224 2HA GLY 54 2HA GLY 54 -9.242 -5.181 -5.848 225 H ASP 55 H ASP 55 -8.366 -4.283 -8.006 226 HA ASP 55 HA ASP 55 -7.848 -6.535 -9.905 227 1HB ASP 55 1HB ASP 55 -8.815 -4.403 -10.894 228 2HB ASP 55 2HB ASP 55 -7.301 -3.609 -10.457 229 HD2 ASP 55 HD ASP 55 -7.370 -6.240 -13.409 230 H SER 56 H SER 56 -6.076 -7.542 -9.150 231 HA SER 56 HA SER 56 -3.749 -6.140 -9.638 232 1HB SER 56 1HB SER 56 -3.805 -7.448 -6.869 233 2HB SER 56 2HB SER 56 -2.355 -6.831 -7.723 234 HG SER 56 HG SER 56 -4.505 -5.111 -7.482 235 H GLU 57 H GLU 57 -1.943 -8.023 -9.534 236 HA GLU 57 HA GLU 57 -2.737 -9.940 -11.382 237 1HB GLU 57 1HB GLU 57 -0.444 -10.309 -9.430 238 2HB GLU 57 2HB GLU 57 -0.554 -10.858 -11.113 239 1HG GLU 57 1HG GLU 57 -0.635 -8.428 -11.809 240 2HG GLU 57 2HG GLU 57 -0.325 -7.971 -10.125 241 HE2 GLU 57 HE GLU 57 2.664 -9.204 -12.336 242 H GLN 58 H GLN 58 -2.488 -10.185 -7.852 243 HA GLN 58 HA GLN 58 -3.329 -12.922 -7.656 244 1HB GLN 58 1HB GLN 58 -3.134 -10.595 -5.744 245 2HB GLN 58 2HB GLN 58 -3.613 -12.224 -5.229 246 1HG GLN 58 1HG GLN 58 -1.489 -13.143 -6.072 247 2HG GLN 58 2HG GLN 58 -0.972 -11.531 -6.597 248 1HE2 GLN 58 1HE2 GLN 58 -1.610 -9.826 -4.548 249 2HE2 GLN 58 2HE2 GLN 58 -0.894 -10.411 -3.065 250 H GLY 59 H GLY 59 -5.239 -10.107 -8.302 251 1HA GLY 59 1HA GLY 59 -7.495 -10.077 -8.733 252 2HA GLY 59 2HA GLY 59 -7.729 -11.557 -7.829 253 H ILE 60 H ILE 60 -5.965 -9.342 -5.906 254 HA ILE 60 HA ILE 60 -8.360 -8.280 -4.519 255 HB ILE 60 HB ILE 60 -6.994 -9.039 -2.385 256 1HG1 ILE 60 1HG1 ILE 60 -5.941 -11.124 -4.336 257 2HG1 ILE 60 2HG1 ILE 60 -4.991 -9.660 -3.981 258 1HG2 ILE 60 1HG2 ILE 60 -8.356 -11.136 -4.157 259 2HG2 ILE 60 2HG2 ILE 60 -8.097 -11.250 -2.414 260 3HG2 ILE 60 3HG2 ILE 60 -9.175 -10.004 -3.069 261 1HD1 ILE 60 1HD1 ILE 60 -5.803 -11.801 -2.031 262 2HD1 ILE 60 2HD1 ILE 60 -4.176 -11.387 -2.653 263 3HD1 ILE 60 3HD1 ILE 60 -5.009 -10.249 -1.585 264 H VAL 61 H VAL 61 -7.748 -6.568 -2.894 265 HA VAL 61 HA VAL 61 -5.058 -5.406 -3.297 266 HB VAL 61 HB VAL 61 -6.028 -3.145 -3.354 267 1HG1 VAL 61 1HG1 VAL 61 -5.313 -4.271 -5.409 268 2HG1 VAL 61 2HG1 VAL 61 -6.950 -4.909 -5.663 269 3HG1 VAL 61 3HG1 VAL 61 -6.644 -3.157 -5.699 270 1HG2 VAL 61 1HG2 VAL 61 -8.430 -2.872 -4.016 271 2HG2 VAL 61 2HG2 VAL 61 -8.707 -4.588 -3.655 272 3HG2 VAL 61 3HG2 VAL 61 -8.219 -3.477 -2.375 273 HA PRO 62 HA PRO 62 -5.357 -5.086 1.235 274 1HB PRO 62 1HB PRO 62 -3.165 -3.580 1.666 275 2HB PRO 62 2HB PRO 62 -3.130 -5.311 1.210 276 1HG PRO 62 1HG PRO 62 -2.573 -2.919 -0.475 277 2HG PRO 62 2HG PRO 62 -1.799 -4.541 -0.495 278 1HD PRO 62 1HD PRO 62 -3.812 -3.629 -2.238 279 2HD PRO 62 2HD PRO 62 -3.416 -5.336 -1.939 280 H CYS 63 H CYS 63 -5.983 -3.774 2.793 281 HA CYS 63 HA CYS 63 -7.106 -1.131 2.277 282 1HB CYS 63 1HB CYS 63 -6.947 -3.076 4.575 283 2HB CYS 63 2HB CYS 63 -7.630 -1.457 4.789 284 HG CYS 63 HG CYS 63 -9.560 -3.148 4.687 285 H LEU 64 H LEU 64 -5.591 0.418 2.038 286 HA LEU 64 HA LEU 64 -3.524 0.916 4.180 287 1HB LEU 64 1HB LEU 64 -3.204 1.884 1.365 288 2HB LEU 64 2HB LEU 64 -1.995 1.686 2.629 289 HG LEU 64 HG LEU 64 -3.355 -0.701 1.348 290 1HD1 LEU 64 1HD1 LEU 64 -0.841 0.575 0.202 291 2HD1 LEU 64 2HD1 LEU 64 -1.705 -0.861 -0.403 292 3HD1 LEU 64 3HD1 LEU 64 -2.472 0.705 -0.516 293 1HD2 LEU 64 1HD2 LEU 64 -1.984 -1.112 3.350 294 2HD2 LEU 64 2HD2 LEU 64 -1.298 -1.886 1.914 295 3HD2 LEU 64 3HD2 LEU 64 -0.577 -0.385 2.541 296 H THR 65 H THR 65 -3.997 2.761 5.232 297 HA THR 65 HA THR 65 -6.324 4.283 4.198 298 HB THR 65 HB THR 65 -6.756 4.886 6.435 299 HG1 THR 65 1HG THR 65 -5.385 4.574 8.076 300 1HG2 THR 65 1HG2 THR 65 -5.627 1.992 6.504 301 2HG2 THR 65 2HG2 THR 65 -6.863 2.654 7.571 302 3HG2 THR 65 3HG2 THR 65 -7.192 2.435 5.838 303 H ARG 66 H ARG 66 -6.281 6.826 5.062 304 HA ARG 66 HA ARG 66 -4.307 8.016 3.596 305 1HB ARG 66 1HB ARG 66 -6.501 8.967 4.394 306 2HB ARG 66 2HB ARG 66 -5.787 9.212 5.986 307 1HG ARG 66 1HG ARG 66 -5.890 11.241 4.531 308 2HG ARG 66 2HG ARG 66 -4.277 10.885 5.134 309 1HD ARG 66 1HD ARG 66 -5.183 9.915 2.391 310 2HD ARG 66 2HD ARG 66 -4.591 11.587 2.677 311 HE ARG 66 HE ARG 66 -2.623 10.619 3.683 312 1HH1 ARG 66 2HH2 ARG 66 -4.217 8.755 1.138 313 2HH1 ARG 66 1HH2 ARG 66 -2.783 7.923 0.649 314 1HH2 ARG 66 2HH1 ARG 66 -0.791 9.583 3.125 315 2HH2 ARG 66 1HH1 ARG 66 -0.689 8.553 1.751 316 H ALA 67 H ALA 67 -4.437 7.369 7.071 317 HA ALA 67 HA ALA 67 -1.993 8.603 7.701 318 1HB ALA 67 1HB ALA 67 -3.154 7.900 9.608 319 2HB ALA 67 2HB ALA 67 -3.455 6.261 8.969 320 3HB ALA 67 3HB ALA 67 -1.837 6.738 9.539 321 H GLN 68 H GLN 68 -2.671 5.148 6.975 322 HA GLN 68 HA GLN 68 -0.144 4.125 7.344 323 1HB GLN 68 1HB GLN 68 -2.289 3.370 5.328 324 2HB GLN 68 2HB GLN 68 -0.918 2.329 5.718 325 1HG GLN 68 1HG GLN 68 -2.768 3.335 7.893 326 2HG GLN 68 2HG GLN 68 -3.207 1.940 6.886 327 1HE2 GLN 68 1HE2 GLN 68 -3.109 0.655 9.050 328 2HE2 GLN 68 2HE2 GLN 68 -1.480 0.190 9.505 329 H LEU 69 H LEU 69 -1.416 5.663 4.347 330 HA LEU 69 HA LEU 69 0.984 4.983 2.817 331 1HB LEU 69 1HB LEU 69 -1.373 6.783 2.306 332 2HB LEU 69 2HB LEU 69 -0.146 6.372 1.111 333 HG LEU 69 HG LEU 69 -1.821 4.324 2.608 334 1HD1 LEU 69 1HD1 LEU 69 -3.223 4.227 0.525 335 2HD1 LEU 69 2HD1 LEU 69 -3.354 5.741 1.423 336 3HD1 LEU 69 3HD1 LEU 69 -2.379 5.672 -0.072 337 1HD2 LEU 69 1HD2 LEU 69 -1.264 2.917 0.544 338 2HD2 LEU 69 2HD2 LEU 69 0.001 4.115 0.190 339 3HD2 LEU 69 3HD2 LEU 69 0.012 3.195 1.721 340 H ALA 70 H ALA 70 -0.234 7.831 4.663 341 HA ALA 70 HA ALA 70 1.904 9.615 3.854 342 1HB ALA 70 1HB ALA 70 1.283 10.791 5.993 343 2HB ALA 70 2HB ALA 70 -0.098 10.527 4.914 344 3HB ALA 70 3HB ALA 70 0.135 9.504 6.351 345 H SER 71 H SER 71 1.568 6.963 6.189 346 HA SER 71 HA SER 71 3.876 7.612 7.774 347 1HB SER 71 1HB SER 71 2.401 4.999 7.324 348 2HB SER 71 2HB SER 71 3.652 5.261 8.564 349 HG SER 71 HG SER 71 1.572 5.586 9.437 350 H MET 72 H MET 72 3.546 6.032 4.667 351 HA MET 72 HA MET 72 6.350 5.090 4.747 352 1HB MET 72 1HB MET 72 5.789 3.927 2.602 353 2HB MET 72 2HB MET 72 4.865 3.299 3.964 354 1HG MET 72 1HG MET 72 2.963 4.607 3.391 355 2HG MET 72 2HG MET 72 3.873 5.431 2.144 356 1HE MET 72 1HE MET 72 2.005 1.225 1.955 357 2HE MET 72 2HE MET 72 3.377 1.588 3.034 358 3HE MET 72 3HE MET 72 1.816 2.421 3.252 359 H GLY 73 H GLY 73 4.904 8.001 4.259 360 1HA GLY 73 1HA GLY 73 6.354 9.766 3.716 361 2HA GLY 73 2HA GLY 73 7.227 8.739 2.591 362 H LEU 74 H LEU 74 3.967 8.175 2.015 363 HA LEU 74 HA LEU 74 4.001 9.322 -0.548 364 1HB LEU 74 1HB LEU 74 2.642 7.428 0.056 365 2HB LEU 74 2HB LEU 74 1.756 8.394 1.255 366 HG LEU 74 HG LEU 74 0.537 7.799 -0.757 367 1HD1 LEU 74 1HD1 LEU 74 0.477 10.154 0.738 368 2HD1 LEU 74 2HD1 LEU 74 0.122 10.613 -0.939 369 3HD1 LEU 74 3HD1 LEU 74 -0.799 9.325 -0.159 370 1HD2 LEU 74 1HD2 LEU 74 1.735 10.015 -2.335 371 2HD2 LEU 74 2HD2 LEU 74 2.482 8.410 -2.358 372 3HD2 LEU 74 3HD2 LEU 74 0.788 8.610 -2.845 373 H ASN 75 H ASN 75 3.219 11.150 -1.336 374 HA ASN 75 HA ASN 75 2.784 13.390 0.570 375 1HB ASN 75 1HB ASN 75 4.592 13.463 -1.153 376 2HB ASN 75 2HB ASN 75 3.357 13.478 -2.416 377 1HD2 ASN 75 1HD2 ASN 75 5.006 15.556 -2.444 378 2HD2 ASN 75 2HD2 ASN 75 4.109 16.978 -1.948 379 H THR 76 H THR 76 0.554 13.055 1.102 380 HA THR 76 HA THR 76 -1.508 12.515 -0.602 381 HB THR 76 HB THR 76 -2.968 13.002 1.163 382 HG1 THR 76 1HG THR 76 -1.190 14.986 2.120 383 1HG2 THR 76 1HG2 THR 76 -1.124 11.476 1.742 384 2HG2 THR 76 2HG2 THR 76 -0.305 12.790 2.609 385 3HG2 THR 76 3HG2 THR 76 -1.891 12.263 3.147 386 H ALA 77 H ALA 77 -0.035 15.732 -0.160 387 HA ALA 77 HA ALA 77 -2.156 17.124 -1.534 388 1HB ALA 77 1HB ALA 77 -0.588 18.132 0.130 389 2HB ALA 77 2HB ALA 77 0.726 17.976 -1.064 390 3HB ALA 77 3HB ALA 77 -0.689 19.006 -1.400 391 H SER 78 H SER 78 0.522 15.168 -2.699 392 HA SER 78 HA SER 78 0.683 16.448 -5.307 393 1HB SER 78 1HB SER 78 1.621 13.740 -4.280 394 2HB SER 78 2HB SER 78 2.028 14.423 -5.872 395 HG SER 78 HG SER 78 3.488 15.550 -4.969 396 H VAL 79 H VAL 79 -1.771 14.404 -3.840 397 HA VAL 79 HA VAL 79 -2.470 13.330 -6.511 398 HB VAL 79 HB VAL 79 -3.432 12.378 -3.794 399 1HG1 VAL 79 1HG1 VAL 79 -3.111 11.094 -6.530 400 2HG1 VAL 79 2HG1 VAL 79 -3.553 10.191 -5.078 401 3HG1 VAL 79 3HG1 VAL 79 -4.630 11.450 -5.685 402 1HG2 VAL 79 1HG2 VAL 79 -0.781 11.819 -5.107 403 2HG2 VAL 79 2HG2 VAL 79 -1.102 12.186 -3.413 404 3HG2 VAL 79 3HG2 VAL 79 -1.530 10.598 -4.044 405 H ALA 80 H ALA 80 -4.875 13.362 -6.955 406 HA ALA 80 HA ALA 80 -6.167 15.776 -5.810 407 1HB ALA 80 1HB ALA 80 -7.103 13.761 -7.864 408 2HB ALA 80 2HB ALA 80 -7.897 15.294 -7.437 409 3HB ALA 80 3HB ALA 80 -6.300 15.299 -8.231 410 H GLY 81 H GLY 81 -8.031 15.587 -4.471 411 1HA GLY 81 1HA GLY 81 -9.458 14.643 -2.947 412 2HA GLY 81 2HA GLY 81 -9.601 13.353 -4.143 413 H MET 82 H MET 82 -6.624 14.128 -2.243 414 HA MET 82 HA MET 82 -6.980 11.508 -0.846 415 1HB MET 82 1HB MET 82 -5.233 11.462 -2.521 416 2HB MET 82 2HB MET 82 -4.425 12.834 -1.735 417 1HG MET 82 1HG MET 82 -4.150 11.604 0.311 418 2HG MET 82 2HG MET 82 -5.080 10.252 -0.291 419 1HE MET 82 1HE MET 82 -2.695 8.603 -2.849 420 2HE MET 82 2HE MET 82 -4.093 8.392 -1.771 421 3HE MET 82 3HE MET 82 -4.173 9.556 -3.098 422 H ASN 83 H ASN 83 -5.745 14.835 -0.500 423 HA ASN 83 HA ASN 83 -4.990 14.592 2.237 424 1HB ASN 83 1HB ASN 83 -4.599 16.944 2.097 425 2HB ASN 83 2HB ASN 83 -4.088 16.251 0.564 426 1HD2 ASN 83 1HD2 ASN 83 -5.824 18.824 1.975 427 2HD2 ASN 83 2HD2 ASN 83 -6.856 19.170 0.592 428 H LEU 84 H LEU 84 -7.885 13.922 1.521 429 HA LEU 84 HA LEU 84 -9.179 15.302 3.727 430 1HB LEU 84 1HB LEU 84 -11.286 15.080 2.271 431 2HB LEU 84 2HB LEU 84 -10.227 16.488 2.158 432 HG LEU 84 HG LEU 84 -11.108 15.618 0.039 433 1HD1 LEU 84 1HD1 LEU 84 -8.712 16.715 0.593 434 2HD1 LEU 84 2HD1 LEU 84 -8.223 15.337 -0.402 435 3HD1 LEU 84 3HD1 LEU 84 -9.384 16.515 -1.045 436 1HD2 LEU 84 1HD2 LEU 84 -10.883 13.153 0.595 437 2HD2 LEU 84 2HD2 LEU 84 -10.353 13.644 -1.010 438 3HD2 LEU 84 3HD2 LEU 84 -9.147 13.318 0.247 439 H LEU 85 H LEU 85 -8.127 12.299 2.449 440 HA LEU 85 HA LEU 85 -10.586 10.797 2.903 441 1HB LEU 85 1HB LEU 85 -7.717 10.167 2.194 442 2HB LEU 85 2HB LEU 85 -8.752 8.852 2.794 443 HG LEU 85 HG LEU 85 -9.682 10.650 0.536 444 1HD1 LEU 85 1HD1 LEU 85 -8.703 9.315 -1.107 445 2HD1 LEU 85 2HD1 LEU 85 -7.374 9.571 0.040 446 3HD1 LEU 85 3HD1 LEU 85 -8.274 8.032 0.017 447 1HD2 LEU 85 1HD2 LEU 85 -10.257 7.732 1.286 448 2HD2 LEU 85 2HD2 LEU 85 -11.337 9.103 1.610 449 3HD2 LEU 85 3HD2 LEU 85 -10.999 8.623 -0.057 450 H ALA 86 H ALA 86 -11.060 9.433 4.591 451 HA ALA 86 HA ALA 86 -10.268 10.236 7.150 452 1HB ALA 86 1HB ALA 86 -12.380 8.898 6.455 453 2HB ALA 86 2HB ALA 86 -11.327 7.451 6.589 454 3HB ALA 86 3HB ALA 86 -11.616 8.460 7.996 455 H ASP 87 H ASP 87 -9.344 8.944 8.849 456 HA ASP 87 HA ASP 87 -6.786 7.792 8.183 457 1HB ASP 87 1HB ASP 87 -7.779 9.087 10.356 458 2HB ASP 87 2HB ASP 87 -7.943 7.426 10.924 459 HD2 ASP 87 HD ASP 87 -4.484 7.184 11.309 460 H ASP 88 H ASP 88 -9.692 6.470 7.937 461 HA ASP 88 HA ASP 88 -8.499 4.106 7.053 462 1HB ASP 88 1HB ASP 88 -8.812 3.220 9.264 463 2HB ASP 88 2HB ASP 88 -10.494 3.750 9.245 464 HD2 ASP 88 HD ASP 88 -9.987 0.994 6.402 465 H ALA 89 H ALA 89 -9.130 5.408 5.295 466 HA ALA 89 HA ALA 89 -11.816 4.574 4.384 467 1HB ALA 89 1HB ALA 89 -11.914 6.537 2.914 468 2HB ALA 89 2HB ALA 89 -12.020 6.962 4.623 469 3HB ALA 89 3HB ALA 89 -10.491 7.222 3.734 470 H CYS 90 H CYS 90 -9.839 2.925 4.280 471 HA CYS 90 HA CYS 90 -8.568 1.605 2.749 472 1HB CYS 90 1HB CYS 90 -11.434 2.046 1.890 473 2HB CYS 90 2HB CYS 90 -10.431 0.629 1.517 474 HG CYS 90 HG CYS 90 -12.233 0.007 3.317 475 H VAL 91 H VAL 91 -7.190 3.538 1.820 476 HA VAL 91 HA VAL 91 -8.419 5.247 -0.031 477 HB VAL 91 HB VAL 91 -5.490 4.638 0.532 478 1HG1 VAL 91 1HG1 VAL 91 -4.921 6.847 -0.386 479 2HG1 VAL 91 2HG1 VAL 91 -5.508 5.738 -1.616 480 3HG1 VAL 91 3HG1 VAL 91 -6.572 7.016 -1.015 481 1HG2 VAL 91 1HG2 VAL 91 -7.300 6.870 1.553 482 2HG2 VAL 91 2HG2 VAL 91 -6.751 5.484 2.471 483 3HG2 VAL 91 3HG2 VAL 91 -5.570 6.678 1.924 484 HA PRO 92 HA PRO 92 -7.825 2.657 -3.676 485 1HB PRO 92 1HB PRO 92 -8.459 4.359 -5.673 486 2HB PRO 92 2HB PRO 92 -9.688 3.688 -4.576 487 1HG PRO 92 1HG PRO 92 -8.310 6.380 -4.403 488 2HG PRO 92 2HG PRO 92 -10.065 6.013 -4.362 489 1HD PRO 92 1HD PRO 92 -8.529 6.348 -2.073 490 2HD PRO 92 2HD PRO 92 -9.889 5.189 -2.132 491 H LEU 93 H LEU 93 -5.501 2.641 -2.983 492 HA LEU 93 HA LEU 93 -3.850 4.854 -3.369 493 1HB LEU 93 1HB LEU 93 -2.953 3.046 -2.062 494 2HB LEU 93 2HB LEU 93 -2.897 1.996 -3.500 495 HG LEU 93 HG LEU 93 -1.334 3.658 -4.607 496 1HD1 LEU 93 1HD1 LEU 93 -0.229 5.363 -3.326 497 2HD1 LEU 93 2HD1 LEU 93 -1.939 5.705 -3.319 498 3HD1 LEU 93 3HD1 LEU 93 -1.184 4.972 -1.878 499 1HD2 LEU 93 1HD2 LEU 93 0.638 3.166 -3.204 500 2HD2 LEU 93 2HD2 LEU 93 -0.459 2.437 -2.000 501 3HD2 LEU 93 3HD2 LEU 93 -0.338 1.799 -3.677 502 H THR 94 H THR 94 -4.429 2.084 -5.534 503 HA THR 94 HA THR 94 -2.473 3.035 -7.474 504 HB THR 94 HB THR 94 -3.076 0.977 -8.659 505 HG1 THR 94 1HG THR 94 -5.033 0.539 -6.636 506 1HG2 THR 94 1HG2 THR 94 -2.576 -0.678 -6.986 507 2HG2 THR 94 2HG2 THR 94 -1.615 0.781 -6.655 508 3HG2 THR 94 3HG2 THR 94 -3.037 0.397 -5.661 509 H THR 95 H THR 95 -6.043 3.224 -7.050 510 HA THR 95 HA THR 95 -6.540 3.860 -9.784 511 HB THR 95 HB THR 95 -8.482 4.548 -7.635 512 HG1 THR 95 1HG THR 95 -8.836 2.457 -7.003 513 1HG2 THR 95 1HG2 THR 95 -8.699 2.799 -10.087 514 2HG2 THR 95 2HG2 THR 95 -10.043 3.350 -9.047 515 3HG2 THR 95 3HG2 THR 95 -9.107 4.528 -9.991 516 H MET 96 H MET 96 -5.491 5.769 -7.062 517 HA MET 96 HA MET 96 -6.011 8.285 -8.506 518 1HB MET 96 1HB MET 96 -6.204 7.352 -5.716 519 2HB MET 96 2HB MET 96 -5.283 8.858 -5.878 520 1HG MET 96 1HG MET 96 -7.079 9.954 -6.958 521 2HG MET 96 2HG MET 96 -7.964 8.439 -7.168 522 1HE MET 96 1HE MET 96 -6.161 10.200 -4.097 523 2HE MET 96 2HE MET 96 -7.339 9.921 -2.798 524 3HE MET 96 3HE MET 96 -6.503 8.531 -3.515 525 H VAL 97 H VAL 97 -3.464 6.064 -7.478 526 HA VAL 97 HA VAL 97 -1.446 8.068 -8.299 527 HB VAL 97 HB VAL 97 -1.158 5.958 -6.103 528 1HG1 VAL 97 1HG1 VAL 97 1.041 7.118 -5.713 529 2HG1 VAL 97 2HG1 VAL 97 0.923 6.191 -7.216 530 3HG1 VAL 97 3HG1 VAL 97 0.805 7.927 -7.285 531 1HG2 VAL 97 1HG2 VAL 97 -0.941 7.905 -4.570 532 2HG2 VAL 97 2HG2 VAL 97 -1.444 8.970 -5.909 533 3HG2 VAL 97 3HG2 VAL 97 -2.553 7.771 -5.293 534 H GLN 98 H GLN 98 -1.456 7.339 -10.403 535 HA GLN 98 HA GLN 98 -1.299 4.567 -11.101 536 1HB GLN 98 1HB GLN 98 -1.619 6.862 -12.533 537 2HB GLN 98 2HB GLN 98 0.121 6.597 -12.755 538 1HG GLN 98 1HG GLN 98 -0.752 4.088 -13.229 539 2HG GLN 98 2HG GLN 98 -2.246 4.942 -13.648 540 1HE2 GLN 98 1HE2 GLN 98 1.322 5.476 -14.307 541 2HE2 GLN 98 2HE2 GLN 98 1.105 5.441 -16.037 542 H ASP 99 H ASP 99 0.579 3.410 -11.737 543 HA ASP 99 HA ASP 99 2.743 2.740 -11.865 544 1HB ASP 99 1HB ASP 99 3.309 5.252 -12.160 545 2HB ASP 99 2HB ASP 99 3.820 5.172 -10.473 546 HD2 ASP 99 HD ASP 99 6.150 3.648 -13.276 547 H ALA 100 H ALA 100 1.164 3.845 -8.993 548 HA ALA 100 HA ALA 100 2.777 2.209 -7.165 549 1HB ALA 100 1HB ALA 100 0.985 2.693 -5.558 550 2HB ALA 100 2HB ALA 100 1.495 4.196 -6.330 551 3HB ALA 100 3HB ALA 100 -0.023 3.391 -6.821 552 H THR 101 H THR 101 1.918 0.325 -6.164 553 HA THR 101 HA THR 101 -0.397 -1.051 -7.291 554 HB THR 101 HB THR 101 0.919 -3.166 -7.680 555 HG1 THR 101 1HG THR 101 2.950 -3.243 -7.604 556 1HG2 THR 101 1HG2 THR 101 1.675 -0.931 -9.584 557 2HG2 THR 101 2HG2 THR 101 1.691 -2.675 -9.919 558 3HG2 THR 101 3HG2 THR 101 0.159 -1.844 -9.610 559 H ALA 102 H ALA 102 -0.600 -3.251 -6.033 560 HA ALA 102 HA ALA 102 0.942 -3.479 -3.521 561 1HB ALA 102 1HB ALA 102 -1.089 -4.696 -2.652 562 2HB ALA 102 2HB ALA 102 -1.377 -2.960 -2.842 563 3HB ALA 102 3HB ALA 102 -2.018 -4.109 -4.033 564 H HIS 103 H HIS 103 2.187 -5.306 -3.660 565 HA HIS 103 HA HIS 103 1.010 -7.726 -4.899 566 1HB HIS 103 1HB HIS 103 2.737 -7.293 -6.384 567 2HB HIS 103 2HB HIS 103 3.755 -6.504 -5.169 568 HD1 HIS 103 1HD HIS 103 5.803 -7.961 -6.123 569 HD2 HIS 103 2HD HIS 103 2.596 -10.166 -4.543 570 HE1 HIS 103 1HE HIS 103 6.735 -10.252 -5.539 571 HE2 HIS 103 2HE HIS 103 4.765 -11.653 -4.661 572 H LEU 104 H LEU 104 0.400 -8.925 -3.133 573 HA LEU 104 HA LEU 104 1.888 -8.797 -0.569 574 1HB LEU 104 1HB LEU 104 -0.283 -9.155 -0.069 575 2HB LEU 104 2HB LEU 104 -0.627 -10.099 -1.513 576 HG LEU 104 HG LEU 104 0.827 -11.982 -0.422 577 1HD1 LEU 104 1HD1 LEU 104 2.030 -10.618 1.105 578 2HD1 LEU 104 2HD1 LEU 104 0.566 -9.990 1.854 579 3HD1 LEU 104 3HD1 LEU 104 1.006 -11.713 2.054 580 1HD2 LEU 104 1HD2 LEU 104 -1.356 -12.482 -0.565 581 2HD2 LEU 104 2HD2 LEU 104 -1.130 -12.507 1.184 582 3HD2 LEU 104 3HD2 LEU 104 -1.913 -11.111 0.370 583 H ASP 105 H ASP 105 3.923 -9.740 -0.761 584 HA ASP 105 HA ASP 105 4.249 -12.208 -2.342 585 1HB ASP 105 1HB ASP 105 6.038 -10.309 -2.123 586 2HB ASP 105 2HB ASP 105 6.348 -10.971 -0.516 587 HD2 ASP 105 HD ASP 105 7.801 -12.895 -3.550 588 H VAL 106 H VAL 106 2.704 -13.609 -1.067 589 HA VAL 106 HA VAL 106 2.966 -13.671 1.757 590 HB VAL 106 HB VAL 106 1.099 -14.533 0.147 591 1HG1 VAL 106 1HG1 VAL 106 2.459 -16.289 -1.013 592 2HG1 VAL 106 2HG1 VAL 106 2.571 -17.172 0.533 593 3HG1 VAL 106 3HG1 VAL 106 0.996 -16.900 -0.237 594 1HG2 VAL 106 1HG2 VAL 106 1.858 -15.948 2.702 595 2HG2 VAL 106 2HG2 VAL 106 0.968 -14.413 2.536 596 3HG2 VAL 106 3HG2 VAL 106 0.239 -15.916 1.947 597 H GLY 107 H GLY 107 4.934 -15.056 -0.792 598 1HA GLY 107 1HA GLY 107 5.926 -17.272 0.637 599 2HA GLY 107 2HA GLY 107 6.702 -16.518 -0.769 600 H GLN 108 H GLN 108 7.231 -13.989 0.113 601 HA GLN 108 HA GLN 108 9.329 -14.453 2.126 602 1HB GLN 108 1HB GLN 108 9.306 -13.000 -0.197 603 2HB GLN 108 2HB GLN 108 8.926 -11.700 0.945 604 1HG GLN 108 1HG GLN 108 11.334 -11.827 0.638 605 2HG GLN 108 2HG GLN 108 10.959 -12.345 2.282 606 1HE2 GLN 108 1HE2 GLN 108 11.967 -14.333 2.925 607 2HE2 GLN 108 2HE2 GLN 108 12.364 -15.586 1.788 608 H GLN 109 H GLN 109 6.139 -13.602 2.197 609 HA GLN 109 HA GLN 109 4.756 -12.426 3.433 610 1HB GLN 109 1HB GLN 109 6.726 -12.899 5.683 611 2HB GLN 109 2HB GLN 109 5.053 -12.317 5.853 612 1HG GLN 109 1HG GLN 109 4.318 -14.418 4.625 613 2HG GLN 109 2HG GLN 109 5.989 -14.997 4.747 614 1HE2 GLN 109 1HE2 GLN 109 3.865 -13.292 7.224 615 2HE2 GLN 109 2HE2 GLN 109 4.164 -14.579 8.366 616 H ARG 110 H ARG 110 5.931 -10.967 1.759 617 HA ARG 110 HA ARG 110 6.619 -8.432 3.162 618 1HB ARG 110 1HB ARG 110 8.649 -9.444 2.106 619 2HB ARG 110 2HB ARG 110 7.808 -9.373 0.539 620 1HG ARG 110 1HG ARG 110 7.386 -6.873 1.173 621 2HG ARG 110 2HG ARG 110 8.672 -7.078 2.346 622 1HD ARG 110 1HD ARG 110 9.178 -7.982 -0.463 623 2HD ARG 110 2HD ARG 110 9.029 -6.236 -0.169 624 HE ARG 110 HE ARG 110 10.902 -7.371 1.663 625 1HH1 ARG 110 2HH2 ARG 110 10.593 -6.650 -1.803 626 2HH1 ARG 110 1HH2 ARG 110 12.240 -6.123 -1.977 627 1HH2 ARG 110 2HH1 ARG 110 13.043 -6.824 1.417 628 2HH2 ARG 110 1HH1 ARG 110 13.712 -6.336 -0.110 629 H LEU 111 H LEU 111 5.071 -6.939 2.751 630 HA LEU 111 HA LEU 111 3.352 -7.332 0.392 631 1HB LEU 111 1HB LEU 111 2.072 -6.649 2.190 632 2HB LEU 111 2HB LEU 111 3.232 -5.435 2.712 633 HG LEU 111 HG LEU 111 2.662 -4.115 0.678 634 1HD1 LEU 111 1HD1 LEU 111 0.509 -4.765 -0.532 635 2HD1 LEU 111 2HD1 LEU 111 1.952 -5.689 -0.912 636 3HD1 LEU 111 3HD1 LEU 111 0.733 -6.385 0.156 637 1HD2 LEU 111 1HD2 LEU 111 0.911 -4.712 2.977 638 2HD2 LEU 111 2HD2 LEU 111 1.465 -3.169 2.321 639 3HD2 LEU 111 3HD2 LEU 111 0.056 -3.939 1.601 640 H ASN 112 H ASN 112 4.642 -6.985 -1.324 641 HA ASN 112 HA ASN 112 6.712 -4.921 -1.495 642 1HB ASN 112 1HB ASN 112 5.661 -7.130 -3.254 643 2HB ASN 112 2HB ASN 112 6.505 -5.743 -4.009 644 1HD2 ASN 112 1HD2 ASN 112 7.048 -8.831 -2.682 645 2HD2 ASN 112 2HD2 ASN 112 8.764 -8.660 -2.449 646 H LEU 113 H LEU 113 5.743 -3.010 -1.210 647 HA LEU 113 HA LEU 113 3.350 -2.244 -2.777 648 1HB LEU 113 1HB LEU 113 3.916 -2.116 -0.109 649 2HB LEU 113 2HB LEU 113 4.566 -0.561 -0.573 650 HG LEU 113 HG LEU 113 2.267 -0.518 0.320 651 1HD1 LEU 113 1HD1 LEU 113 2.267 0.371 -2.587 652 2HD1 LEU 113 2HD1 LEU 113 1.243 0.969 -1.264 653 3HD1 LEU 113 3HD1 LEU 113 2.981 1.267 -1.232 654 1HD2 LEU 113 1HD2 LEU 113 1.252 -1.829 -2.206 655 2HD2 LEU 113 2HD2 LEU 113 1.642 -2.770 -0.785 656 3HD2 LEU 113 3HD2 LEU 113 0.398 -1.519 -0.691 657 H THR 114 H THR 114 3.523 -0.307 -4.141 658 HA THR 114 HA THR 114 6.277 0.754 -4.469 659 HB THR 114 HB THR 114 4.286 0.081 -6.712 660 HG1 THR 114 1HG THR 114 5.595 -1.584 -7.248 661 1HG2 THR 114 1HG2 THR 114 5.924 1.849 -7.297 662 2HG2 THR 114 2HG2 THR 114 7.253 0.801 -6.741 663 3HG2 THR 114 3HG2 THR 114 6.300 0.372 -8.176 664 H ILE 115 H ILE 115 6.319 2.984 -4.971 665 HA ILE 115 HA ILE 115 3.932 4.324 -5.906 666 HB ILE 115 HB ILE 115 5.252 5.008 -3.249 667 1HG1 ILE 115 1HG1 ILE 115 2.450 4.514 -4.273 668 2HG1 ILE 115 2HG1 ILE 115 3.297 3.665 -2.970 669 1HG2 ILE 115 1HG2 ILE 115 4.298 7.206 -3.189 670 2HG2 ILE 115 2HG2 ILE 115 5.346 7.077 -4.559 671 3HG2 ILE 115 3HG2 ILE 115 3.579 6.997 -4.803 672 1HD1 ILE 115 1HD1 ILE 115 1.996 6.367 -2.935 673 2HD1 ILE 115 2HD1 ILE 115 1.643 4.950 -1.911 674 3HD1 ILE 115 3HD1 ILE 115 3.149 5.869 -1.668 675 HA PRO 116 HA PRO 116 7.280 5.982 -8.317 676 1HB PRO 116 1HB PRO 116 6.009 8.066 -9.531 677 2HB PRO 116 2HB PRO 116 5.680 6.379 -9.972 678 1HG PRO 116 1HG PRO 116 4.136 8.153 -8.064 679 2HG PRO 116 2HG PRO 116 3.481 7.171 -9.409 680 1HD PRO 116 1HD PRO 116 3.492 6.291 -6.827 681 2HD PRO 116 2HD PRO 116 3.798 5.156 -8.159 682 H GLN 117 H GLN 117 8.786 7.620 -8.039 683 HA GLN 117 HA GLN 117 8.929 8.913 -5.527 684 1HB GLN 117 1HB GLN 117 10.398 9.415 -8.136 685 2HB GLN 117 2HB GLN 117 10.795 10.285 -6.633 686 1HG GLN 117 1HG GLN 117 10.905 7.266 -7.008 687 2HG GLN 117 2HG GLN 117 12.295 8.392 -7.003 688 1HE2 GLN 117 1HE2 GLN 117 10.432 6.308 -5.031 689 2HE2 GLN 117 2HE2 GLN 117 10.896 6.971 -3.485 690 H ALA 118 H ALA 118 7.531 10.149 -8.532 691 HA ALA 118 HA ALA 118 7.356 12.869 -7.767 692 1HB ALA 118 1HB ALA 118 5.518 11.242 -9.571 693 2HB ALA 118 2HB ALA 118 5.573 13.017 -9.478 694 3HB ALA 118 3HB ALA 118 6.984 12.123 -10.059 695 H PHE 119 H PHE 119 5.668 10.191 -6.193 696 HA PHE 119 HA PHE 119 3.665 12.147 -5.130 697 1HB PHE 119 1HB PHE 119 3.627 9.157 -5.653 698 2HB PHE 119 2HB PHE 119 2.434 9.974 -4.637 699 HD1 PHE 119 1HD PHE 119 3.842 10.455 -8.153 700 HD2 PHE 119 2HD PHE 119 0.420 10.202 -5.578 701 HE1 PHE 119 1HE PHE 119 2.397 10.755 -10.054 702 HE2 PHE 119 2HE PHE 119 -1.084 10.466 -7.578 703 HZ PHE 119 HZ PHE 119 -0.078 10.579 -9.832 704 H MET 120 H MET 120 6.501 11.874 -4.243 705 HA MET 120 HA MET 120 5.981 10.723 -1.539 706 1HB MET 120 1HB MET 120 8.470 10.479 -3.256 707 2HB MET 120 2HB MET 120 8.328 9.939 -1.565 708 1HG MET 120 1HG MET 120 6.193 8.695 -2.476 709 2HG MET 120 2HG MET 120 7.057 8.788 -4.008 710 1HE MET 120 1HE MET 120 7.031 7.608 -0.319 711 2HE MET 120 2HE MET 120 8.402 6.489 -0.204 712 3HE MET 120 3HE MET 120 8.694 8.226 -0.300 713 H SER 121 H SER 121 7.042 11.697 0.148 714 HA SER 121 HA SER 121 7.391 14.583 -0.056 715 1HB SER 121 1HB SER 121 7.963 14.286 2.385 716 2HB SER 121 2HB SER 121 6.357 13.676 1.909 717 HG SER 121 HG SER 121 7.019 11.644 2.087 718 H ASN 122 H ASN 122 9.558 15.274 1.312 719 HA ASN 122 HA ASN 122 11.885 14.686 -0.269 720 1HB ASN 122 1HB ASN 122 11.339 16.110 2.265 721 2HB ASN 122 2HB ASN 122 12.970 15.401 2.096 722 1HD2 ASN 122 1HD2 ASN 122 14.167 17.383 1.675 723 2HD2 ASN 122 2HD2 ASN 122 13.997 17.999 0.044 724 H ARG 123 H ARG 123 10.847 13.141 2.786 725 HA ARG 123 HA ARG 123 12.572 10.831 2.037 726 1HB ARG 123 1HB ARG 123 12.831 12.631 4.439 727 2HB ARG 123 2HB ARG 123 13.377 10.940 4.456 728 1HG ARG 123 1HG ARG 123 14.296 12.893 2.318 729 2HG ARG 123 2HG ARG 123 15.096 12.761 3.885 730 1HD ARG 123 1HD ARG 123 15.180 10.209 3.371 731 2HD ARG 123 2HD ARG 123 14.815 10.670 1.704 732 HE ARG 123 HE ARG 123 17.036 12.213 2.466 733 1HH1 ARG 123 2HH2 ARG 123 16.249 8.736 2.264 734 2HH1 ARG 123 1HH2 ARG 123 17.841 8.264 1.762 735 1HH2 ARG 123 2HH1 ARG 123 19.207 11.546 2.044 736 2HH2 ARG 123 1HH1 ARG 123 19.603 9.890 1.814 737 H ALA 124 H ALA 124 11.219 9.247 1.982 738 HA ALA 124 HA ALA 124 9.237 8.643 4.087 739 1HB ALA 124 1HB ALA 124 9.374 6.351 3.119 740 2HB ALA 124 2HB ALA 124 9.033 7.561 1.875 741 3HB ALA 124 3HB ALA 124 10.666 6.879 2.023 742 H ARG 125 H ARG 125 9.850 7.807 6.113 743 HA ARG 125 HA ARG 125 12.598 6.862 6.567 744 1HB ARG 125 1HB ARG 125 11.125 9.013 8.151 745 2HB ARG 125 2HB ARG 125 12.656 8.251 8.629 746 1HG ARG 125 1HG ARG 125 12.205 10.064 6.228 747 2HG ARG 125 2HG ARG 125 13.019 10.494 7.753 748 1HD ARG 125 1HD ARG 125 14.563 8.429 7.137 749 2HD ARG 125 2HD ARG 125 13.970 8.752 5.488 750 HE ARG 125 HE ARG 125 14.861 11.162 6.752 751 1HH1 ARG 125 2HH2 ARG 125 16.294 8.137 5.627 752 2HH1 ARG 125 1HH2 ARG 125 17.827 8.867 5.265 753 1HH2 ARG 125 2HH1 ARG 125 16.778 12.163 6.068 754 2HH2 ARG 125 1HH1 ARG 125 18.099 11.211 5.491
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