NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
582308 | 2mky | 19800 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 19 HT1 LYS 19 0.007 -0.572 0.515 2 H2 LYS 19 HT2 LYS 19 0.057 1.110 0.725 3 H3 LYS 19 HT3 LYS 19 1.061 0.112 1.657 4 HA LYS 19 HA LYS 19 2.365 1.140 -0.037 5 HB2 LYS 19 HB2 LYS 19 3.282 -0.845 -1.131 6 HB3 LYS 19 HB1 LYS 19 2.919 -1.177 0.557 7 HG2 LYS 19 HG2 LYS 19 1.786 -2.959 -0.105 8 HG3 LYS 19 HG1 LYS 19 0.610 -1.880 -0.856 9 HD2 LYS 19 HD2 LYS 19 1.361 -3.471 -2.500 10 HD3 LYS 19 HD1 LYS 19 2.007 -1.882 -2.917 11 HE2 LYS 19 HE2 LYS 19 4.148 -2.482 -1.921 12 HE3 LYS 19 HE1 LYS 19 3.504 -4.055 -1.455 13 HZ1 LYS 19 HZ1 LYS 19 3.893 -3.063 -4.229 14 HZ2 LYS 19 HZ2 LYS 19 3.169 -4.540 -3.832 15 HZ3 LYS 19 HZ3 LYS 19 4.796 -4.262 -3.447 16 H ASP 20 HN ASP 20 -0.652 1.187 -0.872 17 HA ASP 20 HA ASP 20 -0.101 1.315 -3.758 18 HB2 ASP 20 HB2 ASP 20 -2.519 0.731 -4.121 19 HB3 ASP 20 HB1 ASP 20 -1.548 -0.573 -3.455 20 H LYS 21 HN LYS 21 0.016 3.375 -4.286 21 HA LYS 21 HA LYS 21 -2.205 5.106 -3.488 22 HB2 LYS 21 HB2 LYS 21 0.714 5.720 -3.164 23 HB3 LYS 21 HB1 LYS 21 -0.438 7.017 -3.453 24 HG2 LYS 21 HG2 LYS 21 -0.569 5.048 -1.177 25 HG3 LYS 21 HG1 LYS 21 0.037 6.701 -1.071 26 HD2 LYS 21 HD2 LYS 21 -2.734 6.130 -2.074 27 HD3 LYS 21 HD1 LYS 21 -2.398 6.215 -0.347 28 HE2 LYS 21 HE2 LYS 21 -3.095 8.372 -0.878 29 HE3 LYS 21 HE1 LYS 21 -1.341 8.496 -0.859 30 HZ1 LYS 21 HZ1 LYS 21 -2.413 9.634 -2.761 31 HZ2 LYS 21 HZ2 LYS 21 -2.949 8.137 -3.341 32 HZ3 LYS 21 HZ3 LYS 21 -1.288 8.465 -3.235 33 H ASP 22 HN ASP 22 -2.817 6.616 -4.942 34 HA ASP 22 HA ASP 22 -2.219 6.142 -7.668 35 HB2 ASP 22 HB2 ASP 22 -3.680 8.184 -8.017 36 HB3 ASP 22 HB1 ASP 22 -4.426 6.867 -7.119 37 H LEU 23 HN LEU 23 -0.305 6.639 -8.461 38 HA LEU 23 HA LEU 23 1.032 9.115 -7.687 39 HB2 LEU 23 HB2 LEU 23 2.241 6.877 -7.951 40 HB3 LEU 23 HB1 LEU 23 1.976 7.049 -9.673 41 HG LEU 23 HG LEU 23 3.260 9.191 -9.611 42 HD11 LEU 23 HD11 LEU 23 3.901 8.316 -6.798 43 HD12 LEU 23 HD12 LEU 23 2.950 9.729 -7.256 44 HD13 LEU 23 HD13 LEU 23 4.664 9.647 -7.666 45 HD21 LEU 23 HD21 LEU 23 4.299 7.079 -10.292 46 HD22 LEU 23 HD22 LEU 23 4.744 6.763 -8.614 47 HD23 LEU 23 HD23 LEU 23 5.444 8.138 -9.470 48 H LEU 24 HN LEU 24 -0.811 7.710 -10.234 49 HA LEU 24 HA LEU 24 -0.610 10.163 -11.822 50 HB2 LEU 24 HB2 LEU 24 -0.408 7.357 -12.939 51 HB3 LEU 24 HB1 LEU 24 -0.459 8.833 -13.884 52 HG LEU 24 HG LEU 24 1.751 8.167 -11.942 53 HD11 LEU 24 HD11 LEU 24 3.077 7.604 -13.930 54 HD12 LEU 24 HD12 LEU 24 1.633 7.775 -14.928 55 HD13 LEU 24 HD13 LEU 24 1.715 6.509 -13.704 56 HD21 LEU 24 HD21 LEU 24 2.963 9.925 -13.122 57 HD22 LEU 24 HD22 LEU 24 1.475 10.550 -12.412 58 HD23 LEU 24 HD23 LEU 24 1.558 10.222 -14.143 59 H LYS 25 HN LYS 25 -2.389 10.103 -13.575 60 HA LYS 25 HA LYS 25 -4.655 8.415 -12.795 61 HB2 LYS 25 HB2 LYS 25 -4.757 11.408 -13.202 62 HB3 LYS 25 HB1 LYS 25 -6.182 10.381 -13.201 63 HG2 LYS 25 HG2 LYS 25 -4.273 10.732 -10.900 64 HG3 LYS 25 HG1 LYS 25 -5.857 11.494 -11.057 65 HD2 LYS 25 HD2 LYS 25 -6.887 9.243 -11.129 66 HD3 LYS 25 HD1 LYS 25 -5.293 8.534 -10.864 67 HE2 LYS 25 HE2 LYS 25 -6.440 8.625 -8.766 68 HE3 LYS 25 HE1 LYS 25 -5.141 9.816 -8.743 69 HZ1 LYS 25 HZ1 LYS 25 -8.017 10.387 -9.241 70 HZ2 LYS 25 HZ2 LYS 25 -6.775 11.544 -9.245 71 HZ3 LYS 25 HZ3 LYS 25 -7.166 10.723 -7.814 72 H GLY 26 HN GLY 26 -5.068 7.225 -14.518 73 HA2 GLY 26 HA2 GLY 26 -5.735 6.687 -16.643 74 HA3 GLY 26 HA1 GLY 26 -6.044 8.395 -16.896 75 H LEU 27 HN LEU 27 -2.821 7.284 -16.062 76 HA LEU 27 HA LEU 27 -1.942 7.981 -18.759 77 HB2 LEU 27 HB2 LEU 27 -0.516 7.567 -16.159 78 HB3 LEU 27 HB1 LEU 27 0.371 7.395 -17.659 79 HG LEU 27 HG LEU 27 -0.426 9.744 -18.239 80 HD11 LEU 27 HD11 LEU 27 -1.073 9.770 -15.298 81 HD12 LEU 27 HD12 LEU 27 -2.231 9.910 -16.621 82 HD13 LEU 27 HD13 LEU 27 -1.031 11.177 -16.360 83 HD21 LEU 27 HD21 LEU 27 1.857 9.248 -17.573 84 HD22 LEU 27 HD22 LEU 27 1.400 9.355 -15.873 85 HD23 LEU 27 HD23 LEU 27 1.332 10.790 -16.897 86 H ASP 28 HN ASP 28 -1.971 6.427 -20.231 87 HA ASP 28 HA ASP 28 -2.251 3.686 -19.494 88 HB2 ASP 28 HB2 ASP 28 -3.182 4.931 -21.587 89 HB3 ASP 28 HB1 ASP 28 -1.604 4.580 -22.289 90 H GLN 29 HN GLN 29 -0.804 2.128 -21.050 91 HA GLN 29 HA GLN 29 1.527 1.898 -19.516 92 HB2 GLN 29 HB2 GLN 29 0.380 -0.009 -20.524 93 HB3 GLN 29 HB1 GLN 29 0.807 0.567 -22.129 94 HG2 GLN 29 HG2 GLN 29 3.135 0.186 -21.702 95 HG3 GLN 29 HG1 GLN 29 2.795 -0.256 -20.031 96 HE21 GLN 29 HE21 GLN 29 4.071 -1.772 -22.204 97 HE22 GLN 29 HE22 GLN 29 3.151 -3.227 -22.356 98 H GLU 30 HN GLU 30 1.036 3.254 -22.734 99 HA GLU 30 HA GLU 30 3.765 3.407 -23.457 100 HB2 GLU 30 HB2 GLU 30 1.433 5.102 -24.376 101 HB3 GLU 30 HB1 GLU 30 3.010 5.046 -25.154 102 HG2 GLU 30 HG2 GLU 30 1.078 2.756 -24.881 103 HG3 GLU 30 HG1 GLU 30 1.398 3.686 -26.344 104 H GLN 31 HN GLN 31 1.635 5.581 -21.694 105 HA GLN 31 HA GLN 31 3.634 7.671 -21.546 106 HB2 GLN 31 HB2 GLN 31 0.908 7.394 -20.265 107 HB3 GLN 31 HB1 GLN 31 1.940 8.807 -20.095 108 HG2 GLN 31 HG2 GLN 31 0.863 7.757 -22.702 109 HG3 GLN 31 HG1 GLN 31 0.183 9.102 -21.785 110 HE21 GLN 31 HE21 GLN 31 1.297 8.989 -24.484 111 HE22 GLN 31 HE22 GLN 31 2.545 10.190 -24.519 112 H ALA 32 HN ALA 32 2.308 5.141 -19.521 113 HA ALA 32 HA ALA 32 3.532 5.922 -17.090 114 HB1 ALA 32 HB1 ALA 32 1.652 4.358 -17.174 115 HB2 ALA 32 HB2 ALA 32 3.030 3.664 -16.319 116 HB3 ALA 32 HB3 ALA 32 2.676 3.168 -17.974 117 H ASN 33 HN ASN 33 4.744 4.426 -19.928 118 HA ASN 33 HA ASN 33 6.917 2.985 -18.903 119 HB2 ASN 33 HB2 ASN 33 6.108 2.876 -21.263 120 HB3 ASN 33 HB1 ASN 33 6.794 4.473 -21.536 121 HD21 ASN 33 HD21 ASN 33 8.325 2.031 -19.537 122 HD22 ASN 33 HD22 ASN 33 9.662 1.743 -20.592 123 H GLU 34 HN GLU 34 6.475 6.404 -19.525 124 HA GLU 34 HA GLU 34 9.131 7.280 -19.189 125 HB2 GLU 34 HB2 GLU 34 6.508 8.643 -18.543 126 HB3 GLU 34 HB1 GLU 34 8.069 9.451 -18.513 127 HG2 GLU 34 HG2 GLU 34 6.900 8.119 -20.940 128 HG3 GLU 34 HG1 GLU 34 6.750 9.838 -20.575 129 H VAL 35 HN VAL 35 6.492 6.821 -16.892 130 HA VAL 35 HA VAL 35 7.964 7.828 -14.669 131 HB VAL 35 HB VAL 35 5.384 6.255 -14.742 132 HG11 VAL 35 HG11 VAL 35 6.621 7.862 -12.507 133 HG12 VAL 35 HG12 VAL 35 6.431 6.109 -12.551 134 HG13 VAL 35 HG13 VAL 35 5.009 7.149 -12.486 135 HG21 VAL 35 HG21 VAL 35 4.314 8.442 -14.468 136 HG22 VAL 35 HG22 VAL 35 5.256 8.367 -15.957 137 HG23 VAL 35 HG23 VAL 35 5.893 9.225 -14.555 138 H ILE 36 HN ILE 36 7.048 4.545 -15.736 139 HA ILE 36 HA ILE 36 8.174 3.231 -13.512 140 HB ILE 36 HB ILE 36 6.599 2.153 -15.131 141 HG12 ILE 36 HG12 ILE 36 7.819 -0.072 -15.155 142 HG13 ILE 36 HG11 ILE 36 9.217 0.781 -14.508 143 HG21 ILE 36 HG21 ILE 36 7.608 2.917 -17.212 144 HG22 ILE 36 HG22 ILE 36 7.474 1.159 -17.179 145 HG23 ILE 36 HG23 ILE 36 9.035 1.930 -16.895 146 HD11 ILE 36 HD11 ILE 36 6.520 0.545 -13.201 147 HD12 ILE 36 HD12 ILE 36 7.899 1.437 -12.558 148 HD13 ILE 36 HD13 ILE 36 7.991 -0.314 -12.744 149 H ALA 37 HN ALA 37 9.573 4.495 -16.450 150 HA ALA 37 HA ALA 37 12.036 3.113 -16.356 151 HB1 ALA 37 HB1 ALA 37 11.204 4.242 -18.368 152 HB2 ALA 37 HB2 ALA 37 12.833 4.762 -17.938 153 HB3 ALA 37 HB3 ALA 37 11.452 5.803 -17.585 154 H VAL 38 HN VAL 38 11.133 6.390 -15.239 155 HA VAL 38 HA VAL 38 13.714 7.023 -14.301 156 HB VAL 38 HB VAL 38 12.026 8.755 -14.765 157 HG11 VAL 38 HG11 VAL 38 10.685 7.794 -12.247 158 HG12 VAL 38 HG12 VAL 38 10.039 7.697 -13.884 159 HG13 VAL 38 HG13 VAL 38 10.281 9.271 -13.124 160 HG21 VAL 38 HG21 VAL 38 13.056 8.804 -11.935 161 HG22 VAL 38 HG22 VAL 38 12.508 10.204 -12.859 162 HG23 VAL 38 HG23 VAL 38 13.938 9.310 -13.376 163 H LEU 39 HN LEU 39 10.986 5.412 -12.772 164 HA LEU 39 HA LEU 39 12.130 5.346 -10.166 165 HB2 LEU 39 HB2 LEU 39 9.888 3.935 -11.531 166 HB3 LEU 39 HB1 LEU 39 10.515 3.241 -10.051 167 HG LEU 39 HG LEU 39 8.573 4.602 -9.570 168 HD11 LEU 39 HD11 LEU 39 10.250 4.543 -7.860 169 HD12 LEU 39 HD12 LEU 39 9.554 6.163 -7.923 170 HD13 LEU 39 HD13 LEU 39 11.139 5.853 -8.630 171 HD21 LEU 39 HD21 LEU 39 10.100 6.907 -10.776 172 HD22 LEU 39 HD22 LEU 39 8.544 7.007 -9.951 173 HD23 LEU 39 HD23 LEU 39 8.679 6.127 -11.472 174 H GLN 40 HN GLN 40 11.947 2.942 -12.782 175 HA GLN 40 HA GLN 40 13.360 0.910 -11.447 176 HB2 GLN 40 HB2 GLN 40 11.925 0.576 -13.442 177 HB3 GLN 40 HB1 GLN 40 13.135 1.388 -14.423 178 HG2 GLN 40 HG2 GLN 40 14.743 -0.372 -13.909 179 HG3 GLN 40 HG1 GLN 40 13.537 -1.185 -12.911 180 HE21 GLN 40 HE21 GLN 40 14.942 -2.134 -15.283 181 HE22 GLN 40 HE22 GLN 40 13.719 -2.541 -16.444 182 H MET 41 HN MET 41 14.430 3.603 -13.420 183 HA MET 41 HA MET 41 17.049 2.852 -13.959 184 HB2 MET 41 HB2 MET 41 16.001 4.804 -14.973 185 HB3 MET 41 HB1 MET 41 15.933 5.607 -13.410 186 HG2 MET 41 HG2 MET 41 17.735 6.497 -14.753 187 HG3 MET 41 HG1 MET 41 18.374 5.667 -13.337 188 HE1 MET 41 HE1 MET 41 21.101 5.044 -16.108 189 HE2 MET 41 HE2 MET 41 20.799 5.670 -14.486 190 HE3 MET 41 HE3 MET 41 20.113 6.489 -15.891 191 H HIS 42 HN HIS 42 15.664 4.135 -10.998 192 HA HIS 42 HA HIS 42 18.332 4.460 -9.843 193 HB2 HIS 42 HB2 HIS 42 15.596 5.244 -8.828 194 HB3 HIS 42 HB1 HIS 42 17.070 5.424 -7.884 195 HD1 HIS 42 HD1 HIS 42 18.655 7.352 -8.502 196 HD2 HIS 42 HD2 HIS 42 15.343 7.021 -10.999 197 HE1 HIS 42 HE1 HIS 42 18.631 9.451 -9.891 198 HE2 HIS 42 HE2 HIS 42 16.781 9.088 -11.568 199 H ASN 43 HN ASN 43 16.458 1.951 -10.336 200 HA ASN 43 HA ASN 43 16.263 -0.129 -9.460 201 HB2 ASN 43 HB2 ASN 43 18.792 0.283 -9.322 202 HB3 ASN 43 HB1 ASN 43 18.537 0.553 -7.602 203 HD21 ASN 43 HD21 ASN 43 18.033 -1.193 -6.272 204 HD22 ASN 43 HD22 ASN 43 18.164 -2.838 -6.820 205 H ILE 44 HN ILE 44 14.346 1.319 -8.498 206 HA ILE 44 HA ILE 44 14.274 0.700 -5.617 207 HB ILE 44 HB ILE 44 14.233 3.147 -6.045 208 HG12 ILE 44 HG12 ILE 44 11.619 2.027 -5.000 209 HG13 ILE 44 HG11 ILE 44 13.099 2.221 -4.068 210 HG21 ILE 44 HG21 ILE 44 11.658 2.553 -7.498 211 HG22 ILE 44 HG22 ILE 44 13.160 3.131 -8.222 212 HG23 ILE 44 HG23 ILE 44 12.268 4.159 -7.101 213 HD11 ILE 44 HD11 ILE 44 11.520 4.462 -5.307 214 HD12 ILE 44 HD12 ILE 44 12.961 4.628 -4.303 215 HD13 ILE 44 HD13 ILE 44 11.472 3.982 -3.611 216 H GLU 45 HN GLU 45 12.281 -0.115 -4.808 217 HA GLU 45 HA GLU 45 10.968 -1.990 -6.402 218 HB2 GLU 45 HB2 GLU 45 11.024 -2.052 -3.936 219 HB3 GLU 45 HB1 GLU 45 9.967 -0.651 -3.881 220 HG2 GLU 45 HG2 GLU 45 8.664 -2.594 -3.450 221 HG3 GLU 45 HG1 GLU 45 8.228 -1.981 -5.043 222 H ALA 46 HN ALA 46 10.084 -1.252 -8.272 223 HA ALA 46 HA ALA 46 8.018 0.836 -8.076 224 HB1 ALA 46 HB1 ALA 46 9.899 1.463 -9.504 225 HB2 ALA 46 HB2 ALA 46 8.419 1.277 -10.446 226 HB3 ALA 46 HB3 ALA 46 9.649 0.014 -10.477 227 H ASN 47 HN ASN 47 6.017 0.094 -8.185 228 HA ASN 47 HA ASN 47 5.552 -2.470 -9.569 229 HB2 ASN 47 HB2 ASN 47 4.150 -1.344 -7.136 230 HB3 ASN 47 HB1 ASN 47 3.719 -2.849 -7.941 231 HD21 ASN 47 HD21 ASN 47 6.573 -3.482 -8.444 232 HD22 ASN 47 HD22 ASN 47 7.215 -3.988 -6.917 233 H LYS 48 HN LYS 48 4.005 -2.538 -11.087 234 HA LYS 48 HA LYS 48 2.683 -0.044 -11.785 235 HB2 LYS 48 HB2 LYS 48 3.880 -1.368 -13.498 236 HB3 LYS 48 HB1 LYS 48 2.768 -2.700 -13.229 237 HG2 LYS 48 HG2 LYS 48 0.932 -1.423 -14.084 238 HG3 LYS 48 HG1 LYS 48 1.933 0.027 -14.183 239 HD2 LYS 48 HD2 LYS 48 1.848 -0.792 -16.381 240 HD3 LYS 48 HD1 LYS 48 3.417 -1.306 -15.769 241 HE2 LYS 48 HE2 LYS 48 0.952 -3.038 -15.856 242 HE3 LYS 48 HE1 LYS 48 2.224 -3.052 -17.072 243 HZ1 LYS 48 HZ1 LYS 48 2.350 -3.959 -14.258 244 HZ2 LYS 48 HZ2 LYS 48 3.763 -3.603 -15.127 245 HZ3 LYS 48 HZ3 LYS 48 2.719 -4.821 -15.671 246 H ILE 49 HN ILE 49 0.675 0.392 -11.153 247 HA ILE 49 HA ILE 49 -0.999 -1.858 -10.244 248 HB ILE 49 HB ILE 49 -2.120 -0.215 -8.742 249 HG12 ILE 49 HG12 ILE 49 0.205 1.566 -9.516 250 HG13 ILE 49 HG11 ILE 49 -1.481 1.837 -9.947 251 HG21 ILE 49 HG21 ILE 49 -0.447 -1.739 -7.889 252 HG22 ILE 49 HG22 ILE 49 -0.320 -0.180 -7.077 253 HG23 ILE 49 HG23 ILE 49 0.840 -0.616 -8.331 254 HD11 ILE 49 HD11 ILE 49 -2.049 2.101 -7.596 255 HD12 ILE 49 HD12 ILE 49 -0.793 3.239 -8.085 256 HD13 ILE 49 HD13 ILE 49 -0.369 1.804 -7.152 257 H ASP 50 HN ASP 50 -2.972 -2.115 -11.055 258 HA ASP 50 HA ASP 50 -4.082 0.009 -12.764 259 HB2 ASP 50 HB2 ASP 50 -5.348 -1.690 -13.915 260 HB3 ASP 50 HB1 ASP 50 -3.664 -2.201 -13.863 261 H SER 51 HN SER 51 -6.082 0.828 -12.328 262 HA SER 51 HA SER 51 -7.928 -0.528 -10.585 263 HB2 SER 51 HB2 SER 51 -6.696 2.086 -9.689 264 HB3 SER 51 HB1 SER 51 -8.127 1.364 -8.965 265 HG SER 51 HG SER 51 -5.939 -0.313 -9.166 266 H GLY 52 HN GLY 52 -9.943 0.956 -10.256 267 HA2 GLY 52 HA2 GLY 52 -10.802 1.576 -12.902 268 HA3 GLY 52 HA1 GLY 52 -11.746 1.753 -11.434 269 H LYS 53 HN LYS 53 -10.371 3.641 -10.010 270 HA LYS 53 HA LYS 53 -11.020 6.008 -11.548 271 HB2 LYS 53 HB2 LYS 53 -10.731 7.238 -9.507 272 HB3 LYS 53 HB1 LYS 53 -11.585 5.752 -9.115 273 HG2 LYS 53 HG2 LYS 53 -9.685 4.798 -8.111 274 HG3 LYS 53 HG1 LYS 53 -8.609 6.009 -8.809 275 HD2 LYS 53 HD2 LYS 53 -9.768 7.734 -7.434 276 HD3 LYS 53 HD1 LYS 53 -10.689 6.439 -6.665 277 HE2 LYS 53 HE2 LYS 53 -8.717 5.484 -5.729 278 HE3 LYS 53 HE1 LYS 53 -7.678 6.539 -6.686 279 HZ1 LYS 53 HZ1 LYS 53 -9.490 7.370 -4.483 280 HZ2 LYS 53 HZ2 LYS 53 -8.607 8.438 -5.456 281 HZ3 LYS 53 HZ3 LYS 53 -7.794 7.349 -4.442 282 H LEU 54 HN LEU 54 -8.323 4.139 -11.246 283 HA LEU 54 HA LEU 54 -6.439 6.387 -11.267 284 HB2 LEU 54 HB2 LEU 54 -6.124 4.875 -9.438 285 HB3 LEU 54 HB1 LEU 54 -6.153 3.494 -10.508 286 HG LEU 54 HG LEU 54 -3.990 5.446 -11.001 287 HD11 LEU 54 HD11 LEU 54 -4.010 5.434 -8.576 288 HD12 LEU 54 HD12 LEU 54 -2.639 4.497 -9.169 289 HD13 LEU 54 HD13 LEU 54 -4.075 3.672 -8.561 290 HD21 LEU 54 HD21 LEU 54 -4.230 3.363 -12.273 291 HD22 LEU 54 HD22 LEU 54 -4.105 2.437 -10.777 292 HD23 LEU 54 HD23 LEU 54 -2.731 3.387 -11.344 293 H GLY 55 HN GLY 55 -7.300 3.403 -12.971 294 HA2 GLY 55 HA2 GLY 55 -6.877 2.831 -15.185 295 HA3 GLY 55 HA1 GLY 55 -5.977 4.333 -15.369 296 H TYR 56 HN TYR 56 -3.850 4.129 -15.601 297 HA TYR 56 HA TYR 56 -2.519 1.866 -14.270 298 HB2 TYR 56 HB2 TYR 56 -1.938 3.175 -16.913 299 HB3 TYR 56 HB1 TYR 56 -0.677 2.325 -16.035 300 HD1 TYR 56 HD2 TYR 56 -1.826 -0.067 -15.056 301 HD2 TYR 56 HD1 TYR 56 -2.679 1.949 -18.701 302 HE1 TYR 56 HE2 TYR 56 -2.545 -2.197 -16.054 303 HE2 TYR 56 HE1 TYR 56 -3.398 -0.172 -19.714 304 HH TYR 56 HH TYR 56 -3.061 -2.569 -19.402 305 H SER 57 HN SER 57 -1.014 2.359 -12.810 306 HA SER 57 HA SER 57 0.463 4.847 -13.025 307 HB2 SER 57 HB2 SER 57 -1.204 4.182 -10.592 308 HB3 SER 57 HB1 SER 57 0.019 5.452 -10.653 309 HG SER 57 HG SER 57 -1.749 5.595 -12.723 310 H ILE 58 HN ILE 58 2.052 4.956 -11.086 311 HA ILE 58 HA ILE 58 3.199 2.264 -10.748 312 HB ILE 58 HB ILE 58 4.719 4.877 -10.832 313 HG12 ILE 58 HG12 ILE 58 3.633 4.408 -13.008 314 HG13 ILE 58 HG11 ILE 58 5.383 4.315 -13.100 315 HG21 ILE 58 HG21 ILE 58 5.856 3.120 -9.612 316 HG22 ILE 58 HG22 ILE 58 6.678 3.427 -11.142 317 HG23 ILE 58 HG23 ILE 58 5.644 2.010 -10.968 318 HD11 ILE 58 HD11 ILE 58 3.523 1.957 -12.894 319 HD12 ILE 58 HD12 ILE 58 5.277 1.892 -13.068 320 HD13 ILE 58 HD13 ILE 58 4.286 2.540 -14.374 321 H THR 59 HN THR 59 3.316 1.604 -8.689 322 HA THR 59 HA THR 59 3.418 3.672 -6.595 323 HB THR 59 HB THR 59 1.358 2.153 -6.624 324 HG1 THR 59 HG1 THR 59 2.282 1.608 -4.154 325 HG21 THR 59 HG21 THR 59 3.381 0.139 -5.641 326 HG22 THR 59 HG22 THR 59 2.469 0.050 -7.149 327 HG23 THR 59 HG23 THR 59 1.629 -0.062 -5.603 328 H VAL 60 HN VAL 60 4.628 2.939 -4.632 329 HA VAL 60 HA VAL 60 6.857 1.168 -5.342 330 HB VAL 60 HB VAL 60 8.448 2.707 -4.287 331 HG11 VAL 60 HG11 VAL 60 6.880 3.937 -6.550 332 HG12 VAL 60 HG12 VAL 60 8.201 2.777 -6.696 333 HG13 VAL 60 HG13 VAL 60 8.514 4.397 -6.072 334 HG21 VAL 60 HG21 VAL 60 6.955 3.881 -2.785 335 HG22 VAL 60 HG22 VAL 60 6.110 4.605 -4.152 336 HG23 VAL 60 HG23 VAL 60 7.789 5.035 -3.828 337 H ALA 61 HN ALA 61 8.247 0.764 -3.318 338 HA ALA 61 HA ALA 61 6.879 -0.417 -1.253 339 HB1 ALA 61 HB1 ALA 61 9.549 0.971 -1.026 340 HB2 ALA 61 HB2 ALA 61 9.298 -0.671 -1.618 341 HB3 ALA 61 HB3 ALA 61 8.922 -0.271 0.059 342 H GLU 62 HN GLU 62 6.066 0.226 0.699 343 HA GLU 62 HA GLU 62 4.723 2.647 0.668 344 HB2 GLU 62 HB2 GLU 62 4.167 0.506 1.920 345 HB3 GLU 62 HB1 GLU 62 5.249 1.081 3.177 346 HG2 GLU 62 HG2 GLU 62 3.882 2.966 3.616 347 HG3 GLU 62 HG1 GLU 62 2.899 2.662 2.181 348 HA PRO 63 HA PRO 63 7.860 4.448 3.908 349 HB2 PRO 63 HB2 PRO 63 10.300 2.859 3.475 350 HB3 PRO 63 HB1 PRO 63 9.528 3.337 4.989 351 HG2 PRO 63 HG2 PRO 63 9.484 0.795 4.125 352 HG3 PRO 63 HG1 PRO 63 8.117 1.509 5.001 353 HD2 PRO 63 HD2 PRO 63 8.454 1.051 2.060 354 HD3 PRO 63 HD1 PRO 63 7.027 0.785 3.084 355 H ASP 64 HN ASP 64 8.721 3.212 0.778 356 HA ASP 64 HA ASP 64 10.661 5.327 0.273 357 HB2 ASP 64 HB2 ASP 64 9.755 2.921 -1.288 358 HB3 ASP 64 HB1 ASP 64 10.706 4.193 -2.051 359 H PHE 65 HN PHE 65 7.550 5.477 0.500 360 HA PHE 65 HA PHE 65 6.378 6.289 -1.846 361 HB2 PHE 65 HB2 PHE 65 5.126 6.044 0.222 362 HB3 PHE 65 HB1 PHE 65 5.984 7.403 0.937 363 HD1 PHE 65 HD2 PHE 65 3.581 6.466 -1.715 364 HD2 PHE 65 HD1 PHE 65 5.226 9.607 0.639 365 HE1 PHE 65 HE2 PHE 65 1.827 7.989 -2.530 366 HE2 PHE 65 HE1 PHE 65 3.474 11.136 -0.168 367 HZ PHE 65 HZ PHE 65 1.773 10.328 -1.755 368 H THR 66 HN THR 66 8.406 8.204 0.321 369 HA THR 66 HA THR 66 8.040 10.699 -0.898 370 HB THR 66 HB THR 66 9.025 10.682 1.260 371 HG1 THR 66 HG1 THR 66 10.484 12.195 0.861 372 HG21 THR 66 HG21 THR 66 10.030 8.459 1.217 373 HG22 THR 66 HG22 THR 66 11.205 9.663 1.750 374 HG23 THR 66 HG23 THR 66 11.273 9.031 0.104 375 H ALA 67 HN ALA 67 10.220 8.046 -1.699 376 HA ALA 67 HA ALA 67 11.935 9.557 -3.388 377 HB1 ALA 67 HB1 ALA 67 12.796 7.399 -4.118 378 HB2 ALA 67 HB2 ALA 67 11.441 6.580 -3.338 379 HB3 ALA 67 HB3 ALA 67 12.630 7.446 -2.363 380 H ALA 68 HN ALA 68 9.092 7.534 -3.959 381 HA ALA 68 HA ALA 68 9.083 7.491 -6.738 382 HB1 ALA 68 HB1 ALA 68 7.562 6.161 -5.356 383 HB2 ALA 68 HB2 ALA 68 6.682 7.088 -6.571 384 HB3 ALA 68 HB3 ALA 68 6.699 7.626 -4.892 385 H VAL 69 HN VAL 69 7.375 9.754 -4.598 386 HA VAL 69 HA VAL 69 6.453 11.453 -6.641 387 HB VAL 69 HB VAL 69 7.002 12.224 -3.770 388 HG11 VAL 69 HG11 VAL 69 6.533 14.117 -5.219 389 HG12 VAL 69 HG12 VAL 69 5.194 13.838 -4.107 390 HG13 VAL 69 HG13 VAL 69 5.061 13.336 -5.793 391 HG21 VAL 69 HG21 VAL 69 4.536 10.958 -4.962 392 HG22 VAL 69 HG22 VAL 69 4.679 11.573 -3.315 393 HG23 VAL 69 HG23 VAL 69 5.658 10.200 -3.833 394 H TYR 70 HN TYR 70 9.454 11.309 -4.864 395 HA TYR 70 HA TYR 70 10.401 13.911 -5.425 396 HB2 TYR 70 HB2 TYR 70 11.241 12.216 -3.686 397 HB3 TYR 70 HB1 TYR 70 12.156 11.499 -5.005 398 HD1 TYR 70 HD2 TYR 70 11.509 15.050 -4.061 399 HD2 TYR 70 HD1 TYR 70 14.391 11.986 -4.691 400 HE1 TYR 70 HE2 TYR 70 13.308 16.670 -3.662 401 HE2 TYR 70 HE1 TYR 70 16.204 13.602 -4.288 402 HH TYR 70 HH TYR 70 16.652 15.911 -4.248 403 H TRP 71 HN TRP 71 10.774 10.813 -7.098 404 HA TRP 71 HA TRP 71 12.592 11.857 -9.037 405 HB2 TRP 71 HB2 TRP 71 10.952 9.319 -9.121 406 HB3 TRP 71 HB1 TRP 71 12.265 9.721 -10.217 407 HD1 TRP 71 HD1 TRP 71 11.984 7.263 -7.938 408 HE1 TRP 71 HE1 TRP 71 14.021 6.889 -6.417 409 HE3 TRP 71 HE3 TRP 71 14.300 11.791 -8.537 410 HZ2 TRP 71 HZ2 TRP 71 16.305 8.313 -5.580 411 HZ3 TRP 71 HZ3 TRP 71 16.406 12.199 -7.336 412 HH2 TRP 71 HH2 TRP 71 17.390 10.497 -5.891 413 H ILE 72 HN ILE 72 9.155 11.808 -8.744 414 HA ILE 72 HA ILE 72 8.687 12.174 -11.574 415 HB ILE 72 HB ILE 72 6.736 12.516 -9.285 416 HG12 ILE 72 HG12 ILE 72 7.637 10.264 -9.261 417 HG13 ILE 72 HG11 ILE 72 5.990 10.224 -9.880 418 HG21 ILE 72 HG21 ILE 72 5.961 13.580 -11.319 419 HG22 ILE 72 HG22 ILE 72 5.031 12.109 -11.025 420 HG23 ILE 72 HG23 ILE 72 6.306 12.118 -12.244 421 HD11 ILE 72 HD11 ILE 72 7.467 8.746 -11.129 422 HD12 ILE 72 HD12 ILE 72 8.493 10.119 -11.548 423 HD13 ILE 72 HD13 ILE 72 6.837 10.039 -12.151 424 H LYS 73 HN LYS 73 9.627 14.142 -9.008 425 HA LYS 73 HA LYS 73 8.331 16.564 -9.631 426 HB2 LYS 73 HB2 LYS 73 11.001 16.054 -8.312 427 HB3 LYS 73 HB1 LYS 73 10.257 17.643 -8.429 428 HG2 LYS 73 HG2 LYS 73 9.037 15.262 -7.047 429 HG3 LYS 73 HG1 LYS 73 9.899 16.579 -6.248 430 HD2 LYS 73 HD2 LYS 73 8.245 18.175 -7.048 431 HD3 LYS 73 HD1 LYS 73 7.395 16.890 -7.911 432 HE2 LYS 73 HE2 LYS 73 6.900 15.778 -5.815 433 HE3 LYS 73 HE1 LYS 73 7.827 16.988 -4.931 434 HZ1 LYS 73 HZ1 LYS 73 6.250 18.664 -5.584 435 HZ2 LYS 73 HZ2 LYS 73 5.430 17.387 -4.829 436 HZ3 LYS 73 HZ3 LYS 73 5.372 17.552 -6.519 437 H THR 74 HN THR 74 10.979 14.922 -11.136 438 HA THR 74 HA THR 74 11.828 17.280 -12.612 439 HB THR 74 HB THR 74 13.506 15.598 -11.814 440 HG1 THR 74 HG1 THR 74 13.246 16.253 -14.559 441 HG21 THR 74 HG21 THR 74 12.206 13.563 -12.216 442 HG22 THR 74 HG22 THR 74 13.759 13.504 -13.050 443 HG23 THR 74 HG23 THR 74 12.284 13.853 -13.953 444 H TYR 75 HN TYR 75 9.323 15.172 -12.858 445 HA TYR 75 HA TYR 75 9.309 15.219 -15.802 446 HB2 TYR 75 HB2 TYR 75 9.180 12.984 -14.699 447 HB3 TYR 75 HB1 TYR 75 7.679 13.481 -13.929 448 HD1 TYR 75 HD1 TYR 75 9.180 13.271 -17.347 449 HD2 TYR 75 HD2 TYR 75 5.696 12.830 -14.944 450 HE1 TYR 75 HE1 TYR 75 7.937 12.465 -19.305 451 HE2 TYR 75 HE2 TYR 75 4.444 12.023 -16.902 452 HH TYR 75 HH TYR 75 5.980 11.162 -19.840 453 H GLN 76 HN GLN 76 8.266 16.998 -13.328 454 HA GLN 76 HA GLN 76 5.507 17.380 -14.030 455 HB2 GLN 76 HB2 GLN 76 6.378 17.744 -11.721 456 HB3 GLN 76 HB1 GLN 76 7.302 19.116 -12.318 457 HG2 GLN 76 HG2 GLN 76 5.209 20.212 -12.986 458 HG3 GLN 76 HG1 GLN 76 4.305 18.854 -12.322 459 HE21 GLN 76 HE21 GLN 76 4.214 21.651 -11.611 460 HE22 GLN 76 HE22 GLN 76 4.604 21.745 -9.926 Start of MODEL 2 1 H1 LYS 19 HT1 LYS 19 1.089 -0.964 0.744 2 H2 LYS 19 HT2 LYS 19 1.922 -2.426 0.949 3 H3 LYS 19 HT3 LYS 19 0.588 -2.356 -0.092 4 HA LYS 19 HA LYS 19 3.093 -0.828 -0.469 5 HB2 LYS 19 HB2 LYS 19 3.477 -2.470 -2.368 6 HB3 LYS 19 HB1 LYS 19 3.717 -3.090 -0.744 7 HG2 LYS 19 HG2 LYS 19 2.590 -4.782 -1.908 8 HG3 LYS 19 HG1 LYS 19 1.368 -4.018 -0.896 9 HD2 LYS 19 HD2 LYS 19 0.659 -2.675 -2.864 10 HD3 LYS 19 HD1 LYS 19 1.804 -3.587 -3.851 11 HE2 LYS 19 HE2 LYS 19 0.633 -5.653 -3.323 12 HE3 LYS 19 HE1 LYS 19 -0.487 -4.772 -2.284 13 HZ1 LYS 19 HZ1 LYS 19 -0.189 -4.458 -5.222 14 HZ2 LYS 19 HZ2 LYS 19 -1.205 -3.509 -4.245 15 HZ3 LYS 19 HZ3 LYS 19 -1.492 -5.175 -4.407 16 H ASP 20 HN ASP 20 0.005 -0.363 -0.764 17 HA ASP 20 HA ASP 20 0.010 0.266 -3.637 18 HB2 ASP 20 HB2 ASP 20 -2.324 0.098 -1.712 19 HB3 ASP 20 HB1 ASP 20 -2.445 0.472 -3.427 20 H LYS 21 HN LYS 21 0.805 2.255 -3.950 21 HA LYS 21 HA LYS 21 -0.295 4.410 -2.272 22 HB2 LYS 21 HB2 LYS 21 2.432 3.737 -2.801 23 HB3 LYS 21 HB1 LYS 21 2.089 5.308 -3.516 24 HG2 LYS 21 HG2 LYS 21 2.900 5.600 -1.268 25 HG3 LYS 21 HG1 LYS 21 1.204 6.077 -1.351 26 HD2 LYS 21 HD2 LYS 21 0.676 3.709 -0.552 27 HD3 LYS 21 HD1 LYS 21 2.391 3.588 -0.156 28 HE2 LYS 21 HE2 LYS 21 0.427 5.601 0.933 29 HE3 LYS 21 HE1 LYS 21 1.126 4.239 1.804 30 HZ1 LYS 21 HZ1 LYS 21 3.329 5.280 1.467 31 HZ2 LYS 21 HZ2 LYS 21 2.278 6.212 2.414 32 HZ3 LYS 21 HZ3 LYS 21 2.555 6.634 0.800 33 H ASP 22 HN ASP 22 -1.427 5.882 -3.249 34 HA ASP 22 HA ASP 22 -1.894 5.757 -6.078 35 HB2 ASP 22 HB2 ASP 22 -3.784 6.160 -4.687 36 HB3 ASP 22 HB1 ASP 22 -2.980 7.484 -3.852 37 H LEU 23 HN LEU 23 -0.534 6.668 -7.493 38 HA LEU 23 HA LEU 23 0.729 9.229 -6.768 39 HB2 LEU 23 HB2 LEU 23 1.626 6.939 -8.457 40 HB3 LEU 23 HB1 LEU 23 2.209 8.543 -8.843 41 HG LEU 23 HG LEU 23 3.024 8.678 -6.438 42 HD11 LEU 23 HD11 LEU 23 1.707 6.852 -5.518 43 HD12 LEU 23 HD12 LEU 23 3.433 6.554 -5.308 44 HD13 LEU 23 HD13 LEU 23 2.540 5.706 -6.571 45 HD21 LEU 23 HD21 LEU 23 5.047 7.409 -6.947 46 HD22 LEU 23 HD22 LEU 23 4.511 8.360 -8.331 47 HD23 LEU 23 HD23 LEU 23 4.218 6.619 -8.287 48 H LEU 24 HN LEU 24 -0.333 7.529 -9.729 49 HA LEU 24 HA LEU 24 -0.686 10.148 -10.999 50 HB2 LEU 24 HB2 LEU 24 -0.621 7.403 -12.263 51 HB3 LEU 24 HB1 LEU 24 -0.620 8.936 -13.109 52 HG LEU 24 HG LEU 24 1.605 7.995 -11.300 53 HD11 LEU 24 HD11 LEU 24 1.409 7.999 -14.309 54 HD12 LEU 24 HD12 LEU 24 1.430 6.575 -13.266 55 HD13 LEU 24 HD13 LEU 24 2.854 7.612 -13.373 56 HD21 LEU 24 HD21 LEU 24 2.863 9.835 -12.277 57 HD22 LEU 24 HD22 LEU 24 1.405 10.437 -11.491 58 HD23 LEU 24 HD23 LEU 24 1.465 10.297 -13.246 59 H LYS 25 HN LYS 25 -2.529 10.142 -12.709 60 HA LYS 25 HA LYS 25 -4.762 8.413 -11.966 61 HB2 LYS 25 HB2 LYS 25 -5.008 11.425 -12.167 62 HB3 LYS 25 HB1 LYS 25 -6.361 10.314 -12.040 63 HG2 LYS 25 HG2 LYS 25 -6.204 10.895 -9.865 64 HG3 LYS 25 HG1 LYS 25 -5.037 9.573 -9.855 65 HD2 LYS 25 HD2 LYS 25 -3.247 11.284 -10.293 66 HD3 LYS 25 HD1 LYS 25 -4.468 12.529 -10.027 67 HE2 LYS 25 HE2 LYS 25 -3.289 12.221 -7.977 68 HE3 LYS 25 HE1 LYS 25 -4.895 11.518 -7.782 69 HZ1 LYS 25 HZ1 LYS 25 -2.321 10.112 -8.165 70 HZ2 LYS 25 HZ2 LYS 25 -3.806 9.336 -8.398 71 HZ3 LYS 25 HZ3 LYS 25 -3.415 9.964 -6.876 72 H GLY 26 HN GLY 26 -5.262 7.394 -13.795 73 HA2 GLY 26 HA2 GLY 26 -6.238 7.236 -15.890 74 HA3 GLY 26 HA1 GLY 26 -6.066 8.971 -16.072 75 H LEU 27 HN LEU 27 -3.074 7.815 -15.221 76 HA LEU 27 HA LEU 27 -2.165 7.990 -17.965 77 HB2 LEU 27 HB2 LEU 27 -0.717 7.757 -15.339 78 HB3 LEU 27 HB1 LEU 27 0.122 7.583 -16.866 79 HG LEU 27 HG LEU 27 -0.810 9.904 -17.444 80 HD11 LEU 27 HD11 LEU 27 -1.312 11.349 -15.556 81 HD12 LEU 27 HD12 LEU 27 -1.187 9.977 -14.455 82 HD13 LEU 27 HD13 LEU 27 -2.474 10.026 -15.660 83 HD21 LEU 27 HD21 LEU 27 1.028 11.011 -16.272 84 HD22 LEU 27 HD22 LEU 27 1.533 9.473 -16.973 85 HD23 LEU 27 HD23 LEU 27 1.224 9.593 -15.241 86 H ASP 28 HN ASP 28 -2.886 6.148 -18.981 87 HA ASP 28 HA ASP 28 -2.696 3.538 -17.930 88 HB2 ASP 28 HB2 ASP 28 -4.154 4.248 -19.857 89 HB3 ASP 28 HB1 ASP 28 -2.707 4.299 -20.860 90 H GLN 29 HN GLN 29 -1.337 1.793 -19.120 91 HA GLN 29 HA GLN 29 1.263 2.132 -18.229 92 HB2 GLN 29 HB2 GLN 29 0.224 -0.059 -18.545 93 HB3 GLN 29 HB1 GLN 29 0.260 0.164 -20.290 94 HG2 GLN 29 HG2 GLN 29 2.679 0.182 -20.271 95 HG3 GLN 29 HG1 GLN 29 2.689 0.055 -18.513 96 HE21 GLN 29 HE21 GLN 29 3.849 -1.688 -20.549 97 HE22 GLN 29 HE22 GLN 29 3.176 -3.260 -20.257 98 H GLU 30 HN GLU 30 -0.041 2.692 -21.452 99 HA GLU 30 HA GLU 30 2.442 2.888 -22.774 100 HB2 GLU 30 HB2 GLU 30 1.175 4.101 -24.534 101 HB3 GLU 30 HB1 GLU 30 0.448 2.572 -24.062 102 HG2 GLU 30 HG2 GLU 30 -1.139 3.818 -22.633 103 HG3 GLU 30 HG1 GLU 30 -0.451 5.324 -23.240 104 H GLN 31 HN GLN 31 0.545 5.237 -20.972 105 HA GLN 31 HA GLN 31 2.378 7.398 -21.624 106 HB2 GLN 31 HB2 GLN 31 -0.109 7.728 -21.288 107 HB3 GLN 31 HB1 GLN 31 0.146 7.383 -19.584 108 HG2 GLN 31 HG2 GLN 31 0.062 9.735 -19.824 109 HG3 GLN 31 HG1 GLN 31 1.743 9.303 -19.515 110 HE21 GLN 31 HE21 GLN 31 2.558 11.155 -20.452 111 HE22 GLN 31 HE22 GLN 31 2.501 11.448 -22.155 112 H ALA 32 HN ALA 32 1.554 5.268 -18.970 113 HA ALA 32 HA ALA 32 3.201 6.410 -16.982 114 HB1 ALA 32 HB1 ALA 32 1.342 4.895 -16.478 115 HB2 ALA 32 HB2 ALA 32 2.854 4.344 -15.759 116 HB3 ALA 32 HB3 ALA 32 2.235 3.564 -17.214 117 H ASN 33 HN ASN 33 3.921 4.504 -19.710 118 HA ASN 33 HA ASN 33 6.125 3.014 -19.121 119 HB2 ASN 33 HB2 ASN 33 5.148 3.126 -21.354 120 HB3 ASN 33 HB1 ASN 33 5.702 4.785 -21.539 121 HD21 ASN 33 HD21 ASN 33 6.849 4.289 -23.380 122 HD22 ASN 33 HD22 ASN 33 8.341 3.412 -23.337 123 H GLU 34 HN GLU 34 6.104 6.518 -19.761 124 HA GLU 34 HA GLU 34 8.888 6.899 -19.459 125 HB2 GLU 34 HB2 GLU 34 6.640 8.858 -18.954 126 HB3 GLU 34 HB1 GLU 34 8.334 9.275 -19.166 127 HG2 GLU 34 HG2 GLU 34 8.256 8.402 -21.451 128 HG3 GLU 34 HG1 GLU 34 6.550 8.012 -21.234 129 H VAL 35 HN VAL 35 6.197 7.010 -17.198 130 HA VAL 35 HA VAL 35 7.641 8.021 -14.992 131 HB VAL 35 HB VAL 35 5.050 6.486 -15.154 132 HG11 VAL 35 HG11 VAL 35 6.306 7.807 -12.753 133 HG12 VAL 35 HG12 VAL 35 5.998 6.084 -12.964 134 HG13 VAL 35 HG13 VAL 35 4.648 7.211 -12.832 135 HG21 VAL 35 HG21 VAL 35 5.688 9.404 -14.720 136 HG22 VAL 35 HG22 VAL 35 4.072 8.700 -14.652 137 HG23 VAL 35 HG23 VAL 35 4.976 8.685 -16.165 138 H ILE 36 HN ILE 36 6.653 4.676 -15.807 139 HA ILE 36 HA ILE 36 7.828 3.528 -13.507 140 HB ILE 36 HB ILE 36 6.101 2.383 -14.847 141 HG12 ILE 36 HG12 ILE 36 8.685 0.823 -14.639 142 HG13 ILE 36 HG11 ILE 36 7.551 1.094 -13.321 143 HG21 ILE 36 HG21 ILE 36 6.835 2.969 -17.075 144 HG22 ILE 36 HG22 ILE 36 6.737 1.215 -16.917 145 HG23 ILE 36 HG23 ILE 36 8.305 2.017 -16.867 146 HD11 ILE 36 HD11 ILE 36 7.274 -1.120 -14.213 147 HD12 ILE 36 HD12 ILE 36 7.041 -0.476 -15.837 148 HD13 ILE 36 HD13 ILE 36 5.843 -0.158 -14.582 149 H ALA 37 HN ALA 37 9.155 4.573 -16.507 150 HA ALA 37 HA ALA 37 11.470 2.980 -16.594 151 HB1 ALA 37 HB1 ALA 37 12.325 4.588 -18.173 152 HB2 ALA 37 HB2 ALA 37 11.115 5.767 -17.671 153 HB3 ALA 37 HB3 ALA 37 10.617 4.291 -18.496 154 H VAL 38 HN VAL 38 10.768 6.035 -14.935 155 HA VAL 38 HA VAL 38 13.497 6.525 -14.263 156 HB VAL 38 HB VAL 38 11.726 8.309 -14.354 157 HG11 VAL 38 HG11 VAL 38 10.968 7.268 -11.633 158 HG12 VAL 38 HG12 VAL 38 9.976 7.167 -13.089 159 HG13 VAL 38 HG13 VAL 38 10.369 8.741 -12.397 160 HG21 VAL 38 HG21 VAL 38 13.915 8.731 -13.410 161 HG22 VAL 38 HG22 VAL 38 13.377 8.133 -11.841 162 HG23 VAL 38 HG23 VAL 38 12.677 9.608 -12.511 163 H LEU 39 HN LEU 39 10.839 4.834 -12.706 164 HA LEU 39 HA LEU 39 12.107 4.382 -10.215 165 HB2 LEU 39 HB2 LEU 39 9.968 2.866 -11.702 166 HB3 LEU 39 HB1 LEU 39 10.584 2.316 -10.160 167 HG LEU 39 HG LEU 39 8.551 3.443 -9.726 168 HD11 LEU 39 HD11 LEU 39 10.806 5.328 -9.080 169 HD12 LEU 39 HD12 LEU 39 10.314 3.924 -8.133 170 HD13 LEU 39 HD13 LEU 39 9.223 5.298 -8.303 171 HD21 LEU 39 HD21 LEU 39 8.073 5.720 -10.434 172 HD22 LEU 39 HD22 LEU 39 8.348 4.666 -11.822 173 HD23 LEU 39 HD23 LEU 39 9.610 5.784 -11.299 174 H GLN 40 HN GLN 40 11.881 2.424 -13.164 175 HA GLN 40 HA GLN 40 13.465 0.280 -12.301 176 HB2 GLN 40 HB2 GLN 40 12.039 0.112 -14.251 177 HB3 GLN 40 HB1 GLN 40 12.966 1.355 -15.078 178 HG2 GLN 40 HG2 GLN 40 14.903 -0.106 -15.153 179 HG3 GLN 40 HG1 GLN 40 14.014 -1.349 -14.270 180 HE21 GLN 40 HE21 GLN 40 14.360 0.339 -17.295 181 HE22 GLN 40 HE22 GLN 40 13.428 -0.781 -18.248 182 H MET 41 HN MET 41 14.344 3.292 -13.945 183 HA MET 41 HA MET 41 17.034 2.649 -14.451 184 HB2 MET 41 HB2 MET 41 15.854 4.530 -15.524 185 HB3 MET 41 HB1 MET 41 15.809 5.375 -13.983 186 HG2 MET 41 HG2 MET 41 17.573 6.251 -15.385 187 HG3 MET 41 HG1 MET 41 18.248 5.468 -13.958 188 HE1 MET 41 HE1 MET 41 20.643 5.357 -14.994 189 HE2 MET 41 HE2 MET 41 20.066 6.186 -16.441 190 HE3 MET 41 HE3 MET 41 21.002 4.699 -16.590 191 H HIS 42 HN HIS 42 15.467 4.066 -11.620 192 HA HIS 42 HA HIS 42 18.037 4.510 -10.337 193 HB2 HIS 42 HB2 HIS 42 15.204 5.106 -9.518 194 HB3 HIS 42 HB1 HIS 42 16.542 5.253 -8.385 195 HD1 HIS 42 HD1 HIS 42 18.267 7.166 -8.814 196 HD2 HIS 42 HD2 HIS 42 15.026 7.129 -11.429 197 HE1 HIS 42 HE1 HIS 42 18.296 9.399 -9.971 198 HE2 HIS 42 HE2 HIS 42 16.268 9.402 -11.465 199 H ASN 43 HN ASN 43 16.383 1.834 -10.889 200 HA ASN 43 HA ASN 43 16.443 -0.269 -10.042 201 HB2 ASN 43 HB2 ASN 43 18.878 0.322 -9.816 202 HB3 ASN 43 HB1 ASN 43 18.558 0.776 -8.147 203 HD21 ASN 43 HD21 ASN 43 17.043 -1.928 -9.783 204 HD22 ASN 43 HD22 ASN 43 17.789 -3.167 -8.832 205 H ILE 44 HN ILE 44 14.614 1.699 -8.874 206 HA ILE 44 HA ILE 44 14.268 0.488 -6.217 207 HB ILE 44 HB ILE 44 14.206 2.871 -6.054 208 HG12 ILE 44 HG12 ILE 44 11.364 1.827 -5.995 209 HG13 ILE 44 HG11 ILE 44 12.545 1.653 -4.701 210 HG21 ILE 44 HG21 ILE 44 12.656 4.275 -7.316 211 HG22 ILE 44 HG22 ILE 44 12.120 2.860 -8.222 212 HG23 ILE 44 HG23 ILE 44 13.784 3.424 -8.372 213 HD11 ILE 44 HD11 ILE 44 10.976 3.435 -4.218 214 HD12 ILE 44 HD12 ILE 44 11.410 4.247 -5.724 215 HD13 ILE 44 HD13 ILE 44 12.604 4.081 -4.434 216 H GLU 45 HN GLU 45 12.585 -0.842 -5.822 217 HA GLU 45 HA GLU 45 11.373 -2.047 -8.077 218 HB2 GLU 45 HB2 GLU 45 10.218 -3.483 -6.440 219 HB3 GLU 45 HB1 GLU 45 11.950 -3.393 -6.170 220 HG2 GLU 45 HG2 GLU 45 11.566 -1.769 -4.365 221 HG3 GLU 45 HG1 GLU 45 9.828 -1.934 -4.619 222 H ALA 46 HN ALA 46 9.446 -1.863 -8.949 223 HA ALA 46 HA ALA 46 7.457 -0.127 -7.663 224 HB1 ALA 46 HB1 ALA 46 8.565 1.139 -9.433 225 HB2 ALA 46 HB2 ALA 46 6.886 0.803 -9.855 226 HB3 ALA 46 HB3 ALA 46 8.185 -0.133 -10.593 227 H ASN 47 HN ASN 47 5.292 -0.640 -8.110 228 HA ASN 47 HA ASN 47 4.856 -3.255 -9.396 229 HB2 ASN 47 HB2 ASN 47 3.977 -2.312 -6.681 230 HB3 ASN 47 HB1 ASN 47 3.018 -3.508 -7.553 231 HD21 ASN 47 HD21 ASN 47 3.886 -5.552 -7.927 232 HD22 ASN 47 HD22 ASN 47 5.241 -6.150 -7.030 233 H LYS 48 HN LYS 48 2.391 -3.598 -9.692 234 HA LYS 48 HA LYS 48 1.380 -1.162 -10.979 235 HB2 LYS 48 HB2 LYS 48 1.675 -3.084 -12.448 236 HB3 LYS 48 HB1 LYS 48 0.681 -4.075 -11.390 237 HG2 LYS 48 HG2 LYS 48 -1.219 -2.499 -11.871 238 HG3 LYS 48 HG1 LYS 48 -0.194 -1.769 -13.109 239 HD2 LYS 48 HD2 LYS 48 -0.872 -4.702 -13.013 240 HD3 LYS 48 HD1 LYS 48 -1.794 -3.519 -13.942 241 HE2 LYS 48 HE2 LYS 48 0.232 -2.962 -15.210 242 HE3 LYS 48 HE1 LYS 48 1.132 -4.166 -14.287 243 HZ1 LYS 48 HZ1 LYS 48 0.302 -4.900 -16.525 244 HZ2 LYS 48 HZ2 LYS 48 -1.270 -4.841 -15.890 245 HZ3 LYS 48 HZ3 LYS 48 -0.127 -5.904 -15.228 246 H ILE 49 HN ILE 49 -0.448 -0.195 -10.296 247 HA ILE 49 HA ILE 49 -2.099 -1.640 -8.330 248 HB ILE 49 HB ILE 49 -2.862 0.775 -7.716 249 HG12 ILE 49 HG12 ILE 49 -0.095 1.301 -8.819 250 HG13 ILE 49 HG11 ILE 49 -1.598 1.884 -9.522 251 HG21 ILE 49 HG21 ILE 49 -1.784 -0.756 -6.186 252 HG22 ILE 49 HG22 ILE 49 -1.134 0.870 -5.982 253 HG23 ILE 49 HG23 ILE 49 -0.204 -0.348 -6.856 254 HD11 ILE 49 HD11 ILE 49 -0.476 3.620 -8.254 255 HD12 ILE 49 HD12 ILE 49 -0.526 2.611 -6.807 256 HD13 ILE 49 HD13 ILE 49 -2.027 3.204 -7.522 257 H ASP 50 HN ASP 50 -4.008 -2.198 -9.032 258 HA ASP 50 HA ASP 50 -5.273 -0.650 -11.184 259 HB2 ASP 50 HB2 ASP 50 -5.087 -3.036 -11.644 260 HB3 ASP 50 HB1 ASP 50 -5.874 -3.420 -10.116 261 H SER 51 HN SER 51 -6.959 0.605 -10.767 262 HA SER 51 HA SER 51 -8.819 -0.033 -8.649 263 HB2 SER 51 HB2 SER 51 -7.381 2.637 -8.649 264 HB3 SER 51 HB1 SER 51 -8.700 2.174 -7.577 265 HG SER 51 HG SER 51 -6.772 0.318 -7.459 266 H GLY 52 HN GLY 52 -10.805 1.212 -8.828 267 HA2 GLY 52 HA2 GLY 52 -11.719 1.161 -11.456 268 HA3 GLY 52 HA1 GLY 52 -12.576 1.885 -10.109 269 H LYS 53 HN LYS 53 -11.030 4.090 -9.494 270 HA LYS 53 HA LYS 53 -11.564 5.686 -11.882 271 HB2 LYS 53 HB2 LYS 53 -11.360 7.646 -10.408 272 HB3 LYS 53 HB1 LYS 53 -12.548 6.498 -9.820 273 HG2 LYS 53 HG2 LYS 53 -11.436 7.181 -7.903 274 HG3 LYS 53 HG1 LYS 53 -10.675 5.639 -8.292 275 HD2 LYS 53 HD2 LYS 53 -8.795 6.794 -9.307 276 HD3 LYS 53 HD1 LYS 53 -9.572 8.352 -9.023 277 HE2 LYS 53 HE2 LYS 53 -8.722 6.408 -6.879 278 HE3 LYS 53 HE1 LYS 53 -7.816 7.839 -7.368 279 HZ1 LYS 53 HZ1 LYS 53 -9.908 9.117 -6.784 280 HZ2 LYS 53 HZ2 LYS 53 -9.013 8.485 -5.492 281 HZ3 LYS 53 HZ3 LYS 53 -10.435 7.711 -5.994 282 H LEU 54 HN LEU 54 -8.997 4.161 -10.490 283 HA LEU 54 HA LEU 54 -6.976 6.161 -10.965 284 HB2 LEU 54 HB2 LEU 54 -6.857 4.511 -9.118 285 HB3 LEU 54 HB1 LEU 54 -6.700 3.232 -10.307 286 HG LEU 54 HG LEU 54 -4.587 4.335 -11.093 287 HD11 LEU 54 HD11 LEU 54 -4.953 5.942 -8.569 288 HD12 LEU 54 HD12 LEU 54 -5.070 6.567 -10.215 289 HD13 LEU 54 HD13 LEU 54 -3.532 5.947 -9.614 290 HD21 LEU 54 HD21 LEU 54 -4.693 3.441 -8.213 291 HD22 LEU 54 HD22 LEU 54 -3.249 3.500 -9.222 292 HD23 LEU 54 HD23 LEU 54 -4.560 2.389 -9.622 293 H GLY 55 HN GLY 55 -7.904 3.044 -12.358 294 HA2 GLY 55 HA2 GLY 55 -7.640 2.267 -14.517 295 HA3 GLY 55 HA1 GLY 55 -6.909 3.808 -14.949 296 H TYR 56 HN TYR 56 -4.683 4.138 -14.531 297 HA TYR 56 HA TYR 56 -3.126 1.761 -13.843 298 HB2 TYR 56 HB2 TYR 56 -3.393 2.873 -16.494 299 HB3 TYR 56 HB1 TYR 56 -1.725 2.997 -15.950 300 HD1 TYR 56 HD1 TYR 56 -4.485 0.632 -16.633 301 HD2 TYR 56 HD2 TYR 56 -0.339 1.078 -15.786 302 HE1 TYR 56 HE1 TYR 56 -4.115 -1.726 -17.223 303 HE2 TYR 56 HE2 TYR 56 0.040 -1.279 -16.373 304 HH TYR 56 HH TYR 56 -2.389 -3.208 -17.897 305 H SER 57 HN SER 57 -1.587 2.275 -12.422 306 HA SER 57 HA SER 57 -0.062 4.708 -12.771 307 HB2 SER 57 HB2 SER 57 -1.590 4.144 -10.223 308 HB3 SER 57 HB1 SER 57 -0.303 5.344 -10.363 309 HG SER 57 HG SER 57 -2.256 5.514 -12.299 310 H ILE 58 HN ILE 58 1.815 4.763 -11.236 311 HA ILE 58 HA ILE 58 2.884 2.054 -10.910 312 HB ILE 58 HB ILE 58 4.416 4.652 -10.662 313 HG12 ILE 58 HG12 ILE 58 3.324 4.551 -12.878 314 HG13 ILE 58 HG11 ILE 58 5.072 4.396 -13.005 315 HG21 ILE 58 HG21 ILE 58 5.500 2.683 -9.731 316 HG22 ILE 58 HG22 ILE 58 6.348 3.242 -11.173 317 HG23 ILE 58 HG23 ILE 58 5.296 1.830 -11.261 318 HD11 ILE 58 HD11 ILE 58 3.069 2.153 -13.168 319 HD12 ILE 58 HD12 ILE 58 4.819 1.972 -13.273 320 HD13 ILE 58 HD13 ILE 58 3.950 2.872 -14.516 321 H THR 59 HN THR 59 3.097 1.204 -8.913 322 HA THR 59 HA THR 59 2.975 3.073 -6.643 323 HB THR 59 HB THR 59 1.051 1.468 -6.782 324 HG1 THR 59 HG1 THR 59 2.274 0.623 -4.468 325 HG21 THR 59 HG21 THR 59 3.186 -0.584 -6.197 326 HG22 THR 59 HG22 THR 59 2.229 -0.473 -7.674 327 HG23 THR 59 HG23 THR 59 1.446 -0.867 -6.143 328 H VAL 60 HN VAL 60 4.185 2.424 -4.749 329 HA VAL 60 HA VAL 60 6.486 0.701 -5.272 330 HB VAL 60 HB VAL 60 8.014 2.328 -4.245 331 HG11 VAL 60 HG11 VAL 60 6.571 3.398 -6.666 332 HG12 VAL 60 HG12 VAL 60 7.890 2.227 -6.667 333 HG13 VAL 60 HG13 VAL 60 8.181 3.883 -6.136 334 HG21 VAL 60 HG21 VAL 60 6.397 3.592 -2.926 335 HG22 VAL 60 HG22 VAL 60 5.687 4.241 -4.403 336 HG23 VAL 60 HG23 VAL 60 7.339 4.666 -3.958 337 H ALA 61 HN ALA 61 7.787 0.535 -3.120 338 HA ALA 61 HA ALA 61 6.405 -0.718 -1.144 339 HB1 ALA 61 HB1 ALA 61 8.849 1.005 -0.735 340 HB2 ALA 61 HB2 ALA 61 8.850 -0.670 -1.287 341 HB3 ALA 61 HB3 ALA 61 8.290 -0.277 0.339 342 H GLU 62 HN GLU 62 5.635 -0.146 0.933 343 HA GLU 62 HA GLU 62 3.674 1.777 0.778 344 HB2 GLU 62 HB2 GLU 62 3.780 -0.215 2.317 345 HB3 GLU 62 HB1 GLU 62 4.810 0.740 3.370 346 HG2 GLU 62 HG2 GLU 62 2.599 0.830 4.225 347 HG3 GLU 62 HG1 GLU 62 2.975 2.411 3.542 348 HA PRO 63 HA PRO 63 6.048 4.877 3.462 349 HB2 PRO 63 HB2 PRO 63 8.710 4.101 4.117 350 HB3 PRO 63 HB1 PRO 63 7.308 4.151 5.184 351 HG2 PRO 63 HG2 PRO 63 8.632 1.849 4.410 352 HG3 PRO 63 HG1 PRO 63 6.978 1.909 5.039 353 HD2 PRO 63 HD2 PRO 63 7.923 1.731 2.205 354 HD3 PRO 63 HD1 PRO 63 6.542 0.932 2.990 355 H ASP 64 HN ASP 64 7.395 3.551 0.694 356 HA ASP 64 HA ASP 64 9.469 5.592 0.423 357 HB2 ASP 64 HB2 ASP 64 8.894 3.033 -1.034 358 HB3 ASP 64 HB1 ASP 64 9.948 4.249 -1.750 359 H PHE 65 HN PHE 65 6.537 6.102 0.212 360 HA PHE 65 HA PHE 65 5.839 6.719 -2.439 361 HB2 PHE 65 HB2 PHE 65 4.198 6.703 -0.637 362 HB3 PHE 65 HB1 PHE 65 5.014 8.044 0.156 363 HD1 PHE 65 HD2 PHE 65 3.362 7.183 -3.079 364 HD2 PHE 65 HD1 PHE 65 4.230 10.179 -0.181 365 HE1 PHE 65 HE2 PHE 65 1.916 8.768 -4.287 366 HE2 PHE 65 HE1 PHE 65 2.782 11.765 -1.380 367 HZ PHE 65 HZ PHE 65 1.623 11.061 -3.436 368 H THR 66 HN THR 66 7.693 8.472 -0.022 369 HA THR 66 HA THR 66 7.873 10.962 -1.279 370 HB THR 66 HB THR 66 9.972 9.598 0.419 371 HG1 THR 66 HG1 THR 66 8.857 11.099 2.023 372 HG21 THR 66 HG21 THR 66 10.835 11.549 -0.774 373 HG22 THR 66 HG22 THR 66 10.702 11.876 0.955 374 HG23 THR 66 HG23 THR 66 9.499 12.523 -0.161 375 H ALA 67 HN ALA 67 10.002 8.125 -1.492 376 HA ALA 67 HA ALA 67 11.890 9.146 -3.276 377 HB1 ALA 67 HB1 ALA 67 10.920 6.296 -3.029 378 HB2 ALA 67 HB2 ALA 67 12.183 7.046 -2.052 379 HB3 ALA 67 HB3 ALA 67 12.427 6.817 -3.785 380 H ALA 68 HN ALA 68 8.922 7.308 -3.932 381 HA ALA 68 HA ALA 68 9.060 7.202 -6.707 382 HB1 ALA 68 HB1 ALA 68 7.436 6.004 -5.250 383 HB2 ALA 68 HB2 ALA 68 6.722 6.746 -6.679 384 HB3 ALA 68 HB3 ALA 68 6.534 7.513 -5.100 385 H VAL 69 HN VAL 69 7.505 9.682 -4.666 386 HA VAL 69 HA VAL 69 6.617 11.304 -6.793 387 HB VAL 69 HB VAL 69 7.249 12.078 -3.937 388 HG11 VAL 69 HG11 VAL 69 5.665 13.550 -6.041 389 HG12 VAL 69 HG12 VAL 69 7.205 14.055 -5.347 390 HG13 VAL 69 HG13 VAL 69 5.759 13.998 -4.339 391 HG21 VAL 69 HG21 VAL 69 4.637 11.359 -5.258 392 HG22 VAL 69 HG22 VAL 69 4.850 11.858 -3.580 393 HG23 VAL 69 HG23 VAL 69 5.544 10.338 -4.143 394 H TYR 70 HN TYR 70 9.656 11.200 -5.016 395 HA TYR 70 HA TYR 70 10.687 13.642 -6.004 396 HB2 TYR 70 HB2 TYR 70 11.572 12.414 -4.008 397 HB3 TYR 70 HB1 TYR 70 12.278 11.234 -5.107 398 HD1 TYR 70 HD2 TYR 70 12.308 14.850 -4.252 399 HD2 TYR 70 HD1 TYR 70 14.394 11.605 -6.042 400 HE1 TYR 70 HE2 TYR 70 14.308 16.266 -4.473 401 HE2 TYR 70 HE1 TYR 70 16.398 13.008 -6.270 402 HH TYR 70 HH TYR 70 16.964 15.414 -6.402 403 H TRP 71 HN TRP 71 10.807 10.321 -7.193 404 HA TRP 71 HA TRP 71 12.576 10.893 -9.351 405 HB2 TRP 71 HB2 TRP 71 10.593 8.625 -9.062 406 HB3 TRP 71 HB1 TRP 71 11.891 8.704 -10.248 407 HD1 TRP 71 HD1 TRP 71 11.428 6.533 -7.749 408 HE1 TRP 71 HE1 TRP 71 13.454 6.063 -6.231 409 HE3 TRP 71 HE3 TRP 71 14.230 10.693 -8.791 410 HZ2 TRP 71 HZ2 TRP 71 15.898 7.281 -5.568 411 HZ3 TRP 71 HZ3 TRP 71 16.392 10.960 -7.662 412 HH2 TRP 71 HH2 TRP 71 17.213 9.289 -6.085 413 H ILE 72 HN ILE 72 9.114 11.087 -8.911 414 HA ILE 72 HA ILE 72 8.532 11.612 -11.665 415 HB ILE 72 HB ILE 72 6.910 12.368 -9.227 416 HG12 ILE 72 HG12 ILE 72 7.280 9.976 -9.246 417 HG13 ILE 72 HG11 ILE 72 5.619 10.306 -9.725 418 HG21 ILE 72 HG21 ILE 72 5.005 12.385 -10.788 419 HG22 ILE 72 HG22 ILE 72 6.120 12.106 -12.125 420 HG23 ILE 72 HG23 ILE 72 6.219 13.599 -11.192 421 HD11 ILE 72 HD11 ILE 72 6.585 8.553 -11.085 422 HD12 ILE 72 HD12 ILE 72 7.893 9.631 -11.576 423 HD13 ILE 72 HD13 ILE 72 6.234 9.977 -12.065 424 H LYS 73 HN LYS 73 9.463 13.498 -8.880 425 HA LYS 73 HA LYS 73 8.935 16.069 -9.890 426 HB2 LYS 73 HB2 LYS 73 9.431 15.718 -7.537 427 HB3 LYS 73 HB1 LYS 73 11.040 15.132 -7.930 428 HG2 LYS 73 HG2 LYS 73 11.661 17.335 -8.754 429 HG3 LYS 73 HG1 LYS 73 10.034 17.929 -8.415 430 HD2 LYS 73 HD2 LYS 73 11.906 16.804 -6.333 431 HD3 LYS 73 HD1 LYS 73 11.717 18.525 -6.676 432 HE2 LYS 73 HE2 LYS 73 9.534 16.659 -5.750 433 HE3 LYS 73 HE1 LYS 73 10.383 17.829 -4.742 434 HZ1 LYS 73 HZ1 LYS 73 9.535 19.588 -6.237 435 HZ2 LYS 73 HZ2 LYS 73 8.309 18.756 -5.415 436 HZ3 LYS 73 HZ3 LYS 73 8.606 18.423 -7.049 437 H THR 74 HN THR 74 11.671 13.883 -10.298 438 HA THR 74 HA THR 74 13.259 15.814 -11.681 439 HB THR 74 HB THR 74 14.654 13.826 -12.342 440 HG1 THR 74 HG1 THR 74 12.503 12.462 -11.642 441 HG21 THR 74 HG21 THR 74 15.154 15.158 -10.360 442 HG22 THR 74 HG22 THR 74 15.507 13.454 -10.072 443 HG23 THR 74 HG23 THR 74 14.041 14.175 -9.407 444 H TYR 75 HN TYR 75 10.507 14.170 -12.591 445 HA TYR 75 HA TYR 75 11.243 14.095 -15.419 446 HB2 TYR 75 HB2 TYR 75 9.330 12.674 -13.777 447 HB3 TYR 75 HB1 TYR 75 8.532 13.414 -15.164 448 HD1 TYR 75 HD1 TYR 75 11.441 11.274 -14.256 449 HD2 TYR 75 HD2 TYR 75 8.634 12.393 -17.247 450 HE1 TYR 75 HE1 TYR 75 12.285 9.478 -15.712 451 HE2 TYR 75 HE2 TYR 75 9.467 10.603 -18.710 452 HH TYR 75 HH TYR 75 11.415 9.255 -19.037 453 H GLN 76 HN GLN 76 10.394 16.390 -13.369 454 HA GLN 76 HA GLN 76 8.381 17.706 -15.010 455 HB2 GLN 76 HB2 GLN 76 9.739 18.750 -12.518 456 HB3 GLN 76 HB1 GLN 76 8.266 19.361 -13.260 457 HG2 GLN 76 HG2 GLN 76 8.595 16.653 -11.988 458 HG3 GLN 76 HG1 GLN 76 7.811 18.049 -11.252 459 HE21 GLN 76 HE21 GLN 76 6.822 15.355 -11.963 460 HE22 GLN 76 HE22 GLN 76 5.426 15.629 -12.946 Start of MODEL 3 1 H1 LYS 19 HT1 LYS 19 -0.207 0.162 2.045 2 H2 LYS 19 HT2 LYS 19 -1.196 -0.823 1.082 3 H3 LYS 19 HT3 LYS 19 -1.538 0.829 1.237 4 HA LYS 19 HA LYS 19 0.555 1.373 0.149 5 HB2 LYS 19 HB2 LYS 19 1.691 -0.744 0.816 6 HB3 LYS 19 HB1 LYS 19 0.700 -1.610 -0.348 7 HG2 LYS 19 HG2 LYS 19 1.718 -0.421 -2.174 8 HG3 LYS 19 HG1 LYS 19 2.617 0.602 -1.054 9 HD2 LYS 19 HD2 LYS 19 2.926 -2.374 -0.961 10 HD3 LYS 19 HD1 LYS 19 3.796 -1.431 -2.168 11 HE2 LYS 19 HE2 LYS 19 5.158 -1.846 -0.169 12 HE3 LYS 19 HE1 LYS 19 4.866 -0.128 -0.420 13 HZ1 LYS 19 HZ1 LYS 19 3.322 -0.074 1.342 14 HZ2 LYS 19 HZ2 LYS 19 4.640 -0.965 1.930 15 HZ3 LYS 19 HZ3 LYS 19 3.234 -1.768 1.436 16 H ASP 20 HN ASP 20 -1.035 2.431 -0.989 17 HA ASP 20 HA ASP 20 -1.809 1.323 -3.522 18 HB2 ASP 20 HB2 ASP 20 -4.290 1.740 -3.056 19 HB3 ASP 20 HB1 ASP 20 -3.590 0.299 -2.327 20 H LYS 21 HN LYS 21 -0.356 3.608 -2.418 21 HA LYS 21 HA LYS 21 -2.029 5.929 -2.636 22 HB2 LYS 21 HB2 LYS 21 0.991 5.818 -2.645 23 HB3 LYS 21 HB1 LYS 21 -0.018 7.205 -2.264 24 HG2 LYS 21 HG2 LYS 21 0.246 4.680 -0.644 25 HG3 LYS 21 HG1 LYS 21 0.902 6.268 -0.243 26 HD2 LYS 21 HD2 LYS 21 -1.337 7.175 -0.042 27 HD3 LYS 21 HD1 LYS 21 -2.034 5.632 -0.541 28 HE2 LYS 21 HE2 LYS 21 -0.975 4.582 1.444 29 HE3 LYS 21 HE1 LYS 21 -0.442 6.180 1.958 30 HZ1 LYS 21 HZ1 LYS 21 -2.762 6.871 2.081 31 HZ2 LYS 21 HZ2 LYS 21 -2.468 5.533 3.082 32 HZ3 LYS 21 HZ3 LYS 21 -3.266 5.324 1.600 33 H ASP 22 HN ASP 22 -2.624 6.885 -4.468 34 HA ASP 22 HA ASP 22 -1.542 5.931 -6.952 35 HB2 ASP 22 HB2 ASP 22 -3.246 7.461 -7.993 36 HB3 ASP 22 HB1 ASP 22 -3.901 6.221 -6.938 37 H LEU 23 HN LEU 23 0.322 6.613 -7.552 38 HA LEU 23 HA LEU 23 1.365 9.222 -6.932 39 HB2 LEU 23 HB2 LEU 23 2.709 7.091 -7.035 40 HB3 LEU 23 HB1 LEU 23 2.485 7.102 -8.771 41 HG LEU 23 HG LEU 23 3.684 9.290 -8.865 42 HD11 LEU 23 HD11 LEU 23 3.270 10.024 -6.576 43 HD12 LEU 23 HD12 LEU 23 4.998 9.984 -6.925 44 HD13 LEU 23 HD13 LEU 23 4.263 8.701 -5.964 45 HD21 LEU 23 HD21 LEU 23 4.826 7.185 -9.335 46 HD22 LEU 23 HD22 LEU 23 5.198 6.997 -7.620 47 HD23 LEU 23 HD23 LEU 23 5.905 8.329 -8.535 48 H LEU 24 HN LEU 24 -0.352 7.748 -9.493 49 HA LEU 24 HA LEU 24 -0.139 10.170 -11.129 50 HB2 LEU 24 HB2 LEU 24 0.023 7.321 -12.150 51 HB3 LEU 24 HB1 LEU 24 -0.074 8.751 -13.163 52 HG LEU 24 HG LEU 24 2.195 8.268 -11.238 53 HD11 LEU 24 HD11 LEU 24 3.483 7.473 -13.161 54 HD12 LEU 24 HD12 LEU 24 2.031 7.550 -14.160 55 HD13 LEU 24 HD13 LEU 24 2.115 6.416 -12.812 56 HD21 LEU 24 HD21 LEU 24 3.364 9.884 -12.651 57 HD22 LEU 24 HD22 LEU 24 1.889 10.579 -11.977 58 HD23 LEU 24 HD23 LEU 24 1.926 10.050 -13.659 59 H LYS 25 HN LYS 25 -2.046 10.342 -12.637 60 HA LYS 25 HA LYS 25 -4.325 8.738 -11.730 61 HB2 LYS 25 HB2 LYS 25 -4.330 11.755 -11.920 62 HB3 LYS 25 HB1 LYS 25 -5.742 10.754 -11.607 63 HG2 LYS 25 HG2 LYS 25 -4.551 9.903 -9.564 64 HG3 LYS 25 HG1 LYS 25 -3.344 11.159 -9.845 65 HD2 LYS 25 HD2 LYS 25 -5.090 12.868 -9.697 66 HD3 LYS 25 HD1 LYS 25 -6.295 11.608 -9.414 67 HE2 LYS 25 HE2 LYS 25 -4.939 10.916 -7.412 68 HE3 LYS 25 HE1 LYS 25 -3.984 12.381 -7.648 69 HZ1 LYS 25 HZ1 LYS 25 -6.038 13.677 -7.413 70 HZ2 LYS 25 HZ2 LYS 25 -5.700 12.759 -6.026 71 HZ3 LYS 25 HZ3 LYS 25 -6.900 12.247 -7.106 72 H GLY 26 HN GLY 26 -5.114 7.771 -13.439 73 HA2 GLY 26 HA2 GLY 26 -6.360 7.641 -15.386 74 HA3 GLY 26 HA1 GLY 26 -6.127 9.367 -15.618 75 H LEU 27 HN LEU 27 -3.171 7.959 -15.071 76 HA LEU 27 HA LEU 27 -2.410 8.406 -17.804 77 HB2 LEU 27 HB2 LEU 27 -1.020 8.920 -15.712 78 HB3 LEU 27 HB1 LEU 27 -0.676 7.201 -15.661 79 HG LEU 27 HG LEU 27 0.286 7.379 -17.958 80 HD11 LEU 27 HD11 LEU 27 0.856 9.621 -18.785 81 HD12 LEU 27 HD12 LEU 27 -0.089 10.332 -17.476 82 HD13 LEU 27 HD13 LEU 27 -0.886 9.358 -18.712 83 HD21 LEU 27 HD21 LEU 27 1.734 7.389 -16.017 84 HD22 LEU 27 HD22 LEU 27 1.514 9.128 -15.835 85 HD23 LEU 27 HD23 LEU 27 2.355 8.489 -17.246 86 H ASP 28 HN ASP 28 -1.986 6.925 -19.350 87 HA ASP 28 HA ASP 28 -2.876 4.215 -18.928 88 HB2 ASP 28 HB2 ASP 28 -3.332 5.500 -21.028 89 HB3 ASP 28 HB1 ASP 28 -1.609 5.455 -21.385 90 H GLN 29 HN GLN 29 -1.546 2.348 -19.489 91 HA GLN 29 HA GLN 29 0.872 2.290 -18.084 92 HB2 GLN 29 HB2 GLN 29 -0.552 0.316 -18.470 93 HB3 GLN 29 HB1 GLN 29 -0.132 0.353 -20.177 94 HG2 GLN 29 HG2 GLN 29 2.217 -0.032 -19.588 95 HG3 GLN 29 HG1 GLN 29 1.759 -0.121 -17.888 96 HE21 GLN 29 HE21 GLN 29 1.653 -1.701 -20.972 97 HE22 GLN 29 HE22 GLN 29 1.129 -3.244 -20.390 98 H GLU 30 HN GLU 30 0.187 2.862 -21.490 99 HA GLU 30 HA GLU 30 2.843 2.441 -22.414 100 HB2 GLU 30 HB2 GLU 30 2.137 3.586 -24.452 101 HB3 GLU 30 HB1 GLU 30 0.934 2.414 -23.941 102 HG2 GLU 30 HG2 GLU 30 -0.457 4.178 -23.050 103 HG3 GLU 30 HG1 GLU 30 0.769 5.379 -23.457 104 H GLN 31 HN GLN 31 1.186 5.161 -21.025 105 HA GLN 31 HA GLN 31 3.373 6.990 -21.557 106 HB2 GLN 31 HB2 GLN 31 0.804 7.303 -19.994 107 HB3 GLN 31 HB1 GLN 31 1.966 8.596 -20.267 108 HG2 GLN 31 HG2 GLN 31 0.616 7.099 -22.497 109 HG3 GLN 31 HG1 GLN 31 -0.035 8.577 -21.785 110 HE21 GLN 31 HE21 GLN 31 0.966 10.516 -22.175 111 HE22 GLN 31 HE22 GLN 31 2.185 10.726 -23.381 112 H ALA 32 HN ALA 32 2.200 4.921 -19.050 113 HA ALA 32 HA ALA 32 3.637 6.059 -16.882 114 HB1 ALA 32 HB1 ALA 32 1.692 4.619 -16.542 115 HB2 ALA 32 HB2 ALA 32 3.111 3.995 -15.699 116 HB3 ALA 32 HB3 ALA 32 2.586 3.253 -17.211 117 H ASN 33 HN ASN 33 4.563 4.096 -19.525 118 HA ASN 33 HA ASN 33 6.689 2.639 -18.442 119 HB2 ASN 33 HB2 ASN 33 5.741 2.324 -20.739 120 HB3 ASN 33 HB1 ASN 33 6.565 3.796 -21.236 121 HD21 ASN 33 HD21 ASN 33 6.934 0.474 -20.305 122 HD22 ASN 33 HD22 ASN 33 8.583 0.307 -20.810 123 H GLU 34 HN GLU 34 6.567 5.951 -19.689 124 HA GLU 34 HA GLU 34 9.353 6.453 -19.429 125 HB2 GLU 34 HB2 GLU 34 6.982 8.317 -19.541 126 HB3 GLU 34 HB1 GLU 34 8.645 8.880 -19.465 127 HG2 GLU 34 HG2 GLU 34 9.094 7.600 -21.554 128 HG3 GLU 34 HG1 GLU 34 7.366 7.261 -21.648 129 H VAL 35 HN VAL 35 6.662 6.532 -17.241 130 HA VAL 35 HA VAL 35 7.996 8.062 -15.215 131 HB VAL 35 HB VAL 35 5.490 6.377 -15.073 132 HG11 VAL 35 HG11 VAL 35 5.039 7.573 -12.968 133 HG12 VAL 35 HG12 VAL 35 6.637 8.315 -13.062 134 HG13 VAL 35 HG13 VAL 35 6.485 6.569 -12.864 135 HG21 VAL 35 HG21 VAL 35 5.895 9.358 -15.300 136 HG22 VAL 35 HG22 VAL 35 4.341 8.548 -15.102 137 HG23 VAL 35 HG23 VAL 35 5.290 8.288 -16.565 138 H ILE 36 HN ILE 36 7.130 4.617 -15.587 139 HA ILE 36 HA ILE 36 8.360 3.765 -13.197 140 HB ILE 36 HB ILE 36 6.720 2.393 -14.466 141 HG12 ILE 36 HG12 ILE 36 9.377 1.022 -13.985 142 HG13 ILE 36 HG11 ILE 36 8.182 1.387 -12.743 143 HG21 ILE 36 HG21 ILE 36 7.473 1.057 -16.374 144 HG22 ILE 36 HG22 ILE 36 9.026 1.892 -16.343 145 HG23 ILE 36 HG23 ILE 36 7.553 2.786 -16.719 146 HD11 ILE 36 HD11 ILE 36 6.599 -0.114 -13.818 147 HD12 ILE 36 HD12 ILE 36 8.102 -0.948 -13.424 148 HD13 ILE 36 HD13 ILE 36 7.775 -0.458 -15.087 149 H ALA 37 HN ALA 37 9.644 4.611 -16.273 150 HA ALA 37 HA ALA 37 12.062 3.232 -16.288 151 HB1 ALA 37 HB1 ALA 37 11.200 4.497 -18.195 152 HB2 ALA 37 HB2 ALA 37 12.855 4.960 -17.801 153 HB3 ALA 37 HB3 ALA 37 11.512 6.004 -17.334 154 H VAL 38 HN VAL 38 11.170 6.245 -14.627 155 HA VAL 38 HA VAL 38 13.859 6.853 -13.880 156 HB VAL 38 HB VAL 38 11.954 8.538 -14.015 157 HG11 VAL 38 HG11 VAL 38 10.654 8.920 -11.982 158 HG12 VAL 38 HG12 VAL 38 11.312 7.438 -11.286 159 HG13 VAL 38 HG13 VAL 38 10.284 7.361 -12.718 160 HG21 VAL 38 HG21 VAL 38 14.142 9.097 -13.114 161 HG22 VAL 38 HG22 VAL 38 13.652 8.509 -11.525 162 HG23 VAL 38 HG23 VAL 38 12.865 9.925 -12.222 163 H LEU 39 HN LEU 39 11.294 4.950 -12.483 164 HA LEU 39 HA LEU 39 12.554 4.626 -9.927 165 HB2 LEU 39 HB2 LEU 39 10.358 3.077 -11.299 166 HB3 LEU 39 HB1 LEU 39 10.947 2.684 -9.701 167 HG LEU 39 HG LEU 39 8.984 3.889 -9.332 168 HD11 LEU 39 HD11 LEU 39 9.680 5.965 -8.264 169 HD12 LEU 39 HD12 LEU 39 11.227 5.884 -9.105 170 HD13 LEU 39 HD13 LEU 39 10.804 4.650 -7.920 171 HD21 LEU 39 HD21 LEU 39 8.655 4.738 -11.585 172 HD22 LEU 39 HD22 LEU 39 9.923 5.937 -11.330 173 HD23 LEU 39 HD23 LEU 39 8.434 6.013 -10.388 174 H GLN 40 HN GLN 40 12.235 2.649 -12.848 175 HA GLN 40 HA GLN 40 13.693 0.427 -11.925 176 HB2 GLN 40 HB2 GLN 40 12.169 0.427 -13.885 177 HB3 GLN 40 HB1 GLN 40 13.347 1.385 -14.770 178 HG2 GLN 40 HG2 GLN 40 14.963 -0.438 -14.597 179 HG3 GLN 40 HG1 GLN 40 13.783 -1.396 -13.705 180 HE21 GLN 40 HE21 GLN 40 15.115 -1.947 -16.242 181 HE22 GLN 40 HE22 GLN 40 13.853 -2.177 -17.406 182 H MET 41 HN MET 41 14.680 3.374 -13.595 183 HA MET 41 HA MET 41 17.315 2.639 -14.208 184 HB2 MET 41 HB2 MET 41 16.135 4.634 -15.115 185 HB3 MET 41 HB1 MET 41 16.287 5.405 -13.542 186 HG2 MET 41 HG2 MET 41 17.979 6.243 -15.030 187 HG3 MET 41 HG1 MET 41 18.729 5.299 -13.746 188 HE1 MET 41 HE1 MET 41 17.638 5.372 -17.496 189 HE2 MET 41 HE2 MET 41 16.825 3.915 -16.923 190 HE3 MET 41 HE3 MET 41 18.160 3.788 -18.069 191 H HIS 42 HN HIS 42 15.888 3.900 -11.254 192 HA HIS 42 HA HIS 42 18.514 4.131 -10.001 193 HB2 HIS 42 HB2 HIS 42 15.743 4.931 -9.150 194 HB3 HIS 42 HB1 HIS 42 17.068 4.877 -7.992 195 HD1 HIS 42 HD1 HIS 42 18.582 6.874 -7.895 196 HD2 HIS 42 HD2 HIS 42 16.169 6.860 -11.290 197 HE1 HIS 42 HE1 HIS 42 18.959 9.093 -9.010 198 HE2 HIS 42 HE2 HIS 42 17.367 9.134 -10.958 199 H ASN 43 HN ASN 43 16.533 1.662 -10.627 200 HA ASN 43 HA ASN 43 16.327 -0.462 -9.862 201 HB2 ASN 43 HB2 ASN 43 18.768 0.330 -8.266 202 HB3 ASN 43 HB1 ASN 43 18.124 -1.306 -8.313 203 HD21 ASN 43 HD21 ASN 43 20.712 -0.344 -9.140 204 HD22 ASN 43 HD22 ASN 43 20.872 -0.733 -10.825 205 H ILE 44 HN ILE 44 14.708 1.502 -8.576 206 HA ILE 44 HA ILE 44 14.591 0.487 -5.824 207 HB ILE 44 HB ILE 44 14.466 2.949 -6.131 208 HG12 ILE 44 HG12 ILE 44 11.919 1.718 -5.050 209 HG13 ILE 44 HG11 ILE 44 13.436 1.858 -4.166 210 HG21 ILE 44 HG21 ILE 44 13.310 3.021 -8.260 211 HG22 ILE 44 HG22 ILE 44 12.427 3.951 -7.050 212 HG23 ILE 44 HG23 ILE 44 11.860 2.347 -7.516 213 HD11 ILE 44 HD11 ILE 44 11.870 3.578 -3.493 214 HD12 ILE 44 HD12 ILE 44 11.745 4.141 -5.159 215 HD13 ILE 44 HD13 ILE 44 13.271 4.293 -4.290 216 H GLU 45 HN GLU 45 12.650 -0.443 -5.004 217 HA GLU 45 HA GLU 45 11.373 -2.241 -6.745 218 HB2 GLU 45 HB2 GLU 45 11.647 -2.649 -4.337 219 HB3 GLU 45 HB1 GLU 45 10.537 -1.334 -3.983 220 HG2 GLU 45 HG2 GLU 45 9.389 -3.420 -3.744 221 HG3 GLU 45 HG1 GLU 45 8.751 -2.571 -5.152 222 H ALA 46 HN ALA 46 9.988 -1.680 -8.305 223 HA ALA 46 HA ALA 46 8.046 0.464 -7.732 224 HB1 ALA 46 HB1 ALA 46 9.174 -0.366 -10.405 225 HB2 ALA 46 HB2 ALA 46 9.648 1.065 -9.489 226 HB3 ALA 46 HB3 ALA 46 8.008 0.928 -10.128 227 H ASN 47 HN ASN 47 6.096 -0.344 -7.367 228 HA ASN 47 HA ASN 47 5.277 -2.799 -8.773 229 HB2 ASN 47 HB2 ASN 47 4.450 -1.594 -6.141 230 HB3 ASN 47 HB1 ASN 47 3.409 -2.748 -6.967 231 HD21 ASN 47 HD21 ASN 47 6.907 -2.908 -7.054 232 HD22 ASN 47 HD22 ASN 47 7.049 -4.346 -6.108 233 H LYS 48 HN LYS 48 3.216 -2.894 -9.754 234 HA LYS 48 HA LYS 48 2.221 -0.271 -10.591 235 HB2 LYS 48 HB2 LYS 48 1.597 -3.014 -11.707 236 HB3 LYS 48 HB1 LYS 48 1.082 -1.479 -12.392 237 HG2 LYS 48 HG2 LYS 48 3.413 -0.886 -12.823 238 HG3 LYS 48 HG1 LYS 48 3.927 -2.428 -12.136 239 HD2 LYS 48 HD2 LYS 48 2.531 -3.568 -13.873 240 HD3 LYS 48 HD1 LYS 48 2.266 -1.987 -14.613 241 HE2 LYS 48 HE2 LYS 48 4.069 -3.126 -15.751 242 HE3 LYS 48 HE1 LYS 48 4.706 -1.735 -14.874 243 HZ1 LYS 48 HZ1 LYS 48 6.126 -3.653 -14.568 244 HZ2 LYS 48 HZ2 LYS 48 4.825 -4.568 -13.979 245 HZ3 LYS 48 HZ3 LYS 48 5.399 -3.243 -13.093 246 H ILE 49 HN ILE 49 0.196 0.425 -10.155 247 HA ILE 49 HA ILE 49 -1.524 -1.370 -8.576 248 HB ILE 49 HB ILE 49 -2.484 0.934 -7.755 249 HG12 ILE 49 HG12 ILE 49 0.328 1.622 -8.623 250 HG13 ILE 49 HG11 ILE 49 -1.166 2.408 -9.116 251 HG21 ILE 49 HG21 ILE 49 -1.555 -0.754 -6.305 252 HG22 ILE 49 HG22 ILE 49 -0.958 0.838 -5.830 253 HG23 ILE 49 HG23 ILE 49 0.084 -0.262 -6.734 254 HD11 ILE 49 HD11 ILE 49 0.158 2.517 -6.420 255 HD12 ILE 49 HD12 ILE 49 -1.458 3.141 -6.744 256 HD13 ILE 49 HD13 ILE 49 -0.062 3.834 -7.573 257 H ASP 50 HN ASP 50 -3.528 -1.720 -9.278 258 HA ASP 50 HA ASP 50 -4.444 -0.210 -11.641 259 HB2 ASP 50 HB2 ASP 50 -4.128 -2.491 -12.235 260 HB3 ASP 50 HB1 ASP 50 -4.914 -3.059 -10.768 261 H SER 51 HN SER 51 -6.040 1.173 -11.271 262 HA SER 51 HA SER 51 -8.412 0.346 -9.859 263 HB2 SER 51 HB2 SER 51 -6.828 2.722 -8.827 264 HB3 SER 51 HB1 SER 51 -8.451 2.275 -8.300 265 HG SER 51 HG SER 51 -6.781 0.163 -8.122 266 H GLY 52 HN GLY 52 -10.199 1.912 -10.194 267 HA2 GLY 52 HA2 GLY 52 -10.141 2.945 -12.852 268 HA3 GLY 52 HA1 GLY 52 -11.454 3.127 -11.699 269 H LYS 53 HN LYS 53 -10.217 4.492 -9.667 270 HA LYS 53 HA LYS 53 -10.157 7.178 -10.587 271 HB2 LYS 53 HB2 LYS 53 -9.396 7.695 -8.270 272 HB3 LYS 53 HB1 LYS 53 -10.826 6.668 -8.311 273 HG2 LYS 53 HG2 LYS 53 -9.679 4.807 -7.583 274 HG3 LYS 53 HG1 LYS 53 -8.124 5.417 -8.143 275 HD2 LYS 53 HD2 LYS 53 -9.543 6.871 -5.963 276 HD3 LYS 53 HD1 LYS 53 -8.720 5.358 -5.584 277 HE2 LYS 53 HE2 LYS 53 -7.181 7.123 -5.164 278 HE3 LYS 53 HE1 LYS 53 -6.658 6.308 -6.634 279 HZ1 LYS 53 HZ1 LYS 53 -8.153 8.876 -6.507 280 HZ2 LYS 53 HZ2 LYS 53 -7.657 8.097 -7.929 281 HZ3 LYS 53 HZ3 LYS 53 -6.498 8.703 -6.851 282 H LEU 54 HN LEU 54 -7.872 4.822 -10.901 283 HA LEU 54 HA LEU 54 -5.607 6.596 -10.308 284 HB2 LEU 54 HB2 LEU 54 -5.981 4.642 -8.817 285 HB3 LEU 54 HB1 LEU 54 -5.758 3.587 -10.194 286 HG LEU 54 HG LEU 54 -3.568 5.476 -9.443 287 HD11 LEU 54 HD11 LEU 54 -2.677 3.810 -7.913 288 HD12 LEU 54 HD12 LEU 54 -4.107 2.806 -8.145 289 HD13 LEU 54 HD13 LEU 54 -4.250 4.378 -7.356 290 HD21 LEU 54 HD21 LEU 54 -2.191 3.669 -10.337 291 HD22 LEU 54 HD22 LEU 54 -3.408 4.172 -11.511 292 HD23 LEU 54 HD23 LEU 54 -3.633 2.686 -10.589 293 H GLY 55 HN GLY 55 -6.607 3.883 -12.406 294 HA2 GLY 55 HA2 GLY 55 -6.090 3.562 -14.660 295 HA3 GLY 55 HA1 GLY 55 -5.047 4.980 -14.603 296 H TYR 56 HN TYR 56 -2.941 4.572 -14.740 297 HA TYR 56 HA TYR 56 -1.927 2.145 -13.426 298 HB2 TYR 56 HB2 TYR 56 -1.177 3.266 -16.120 299 HB3 TYR 56 HB1 TYR 56 -0.085 2.215 -15.223 300 HD1 TYR 56 HD2 TYR 56 -0.669 -0.123 -14.813 301 HD2 TYR 56 HD1 TYR 56 -3.165 2.389 -17.167 302 HE1 TYR 56 HE2 TYR 56 -1.840 -2.104 -15.671 303 HE2 TYR 56 HE1 TYR 56 -4.346 0.412 -18.033 304 HH TYR 56 HH TYR 56 -4.043 -2.661 -16.639 305 H SER 57 HN SER 57 -0.609 2.618 -11.823 306 HA SER 57 HA SER 57 1.123 4.971 -12.045 307 HB2 SER 57 HB2 SER 57 -0.565 4.279 -9.634 308 HB3 SER 57 HB1 SER 57 0.665 5.543 -9.683 309 HG SER 57 HG SER 57 -1.224 5.643 -11.693 310 H ILE 58 HN ILE 58 2.744 4.978 -10.236 311 HA ILE 58 HA ILE 58 3.812 2.257 -9.933 312 HB ILE 58 HB ILE 58 5.359 4.843 -9.754 313 HG12 ILE 58 HG12 ILE 58 4.255 4.607 -11.975 314 HG13 ILE 58 HG11 ILE 58 6.007 4.566 -12.066 315 HG21 ILE 58 HG21 ILE 58 7.289 3.394 -10.179 316 HG22 ILE 58 HG22 ILE 58 6.221 1.991 -10.221 317 HG23 ILE 58 HG23 ILE 58 6.413 2.908 -8.727 318 HD11 ILE 58 HD11 ILE 58 5.027 2.923 -13.546 319 HD12 ILE 58 HD12 ILE 58 4.156 2.194 -12.197 320 HD13 ILE 58 HD13 ILE 58 5.918 2.119 -12.253 321 H THR 59 HN THR 59 3.386 1.518 -7.933 322 HA THR 59 HA THR 59 3.367 3.449 -5.727 323 HB THR 59 HB THR 59 1.376 1.976 -5.965 324 HG1 THR 59 HG1 THR 59 2.972 1.698 -3.619 325 HG21 THR 59 HG21 THR 59 3.303 -0.233 -5.244 326 HG22 THR 59 HG22 THR 59 2.472 -0.044 -6.788 327 HG23 THR 59 HG23 THR 59 1.547 -0.384 -5.325 328 H VAL 60 HN VAL 60 4.690 3.278 -4.008 329 HA VAL 60 HA VAL 60 6.678 1.120 -3.984 330 HB VAL 60 HB VAL 60 8.394 2.732 -3.234 331 HG11 VAL 60 HG11 VAL 60 8.808 3.792 -5.412 332 HG12 VAL 60 HG12 VAL 60 7.166 3.387 -5.908 333 HG13 VAL 60 HG13 VAL 60 8.327 2.104 -5.574 334 HG21 VAL 60 HG21 VAL 60 6.342 4.828 -3.942 335 HG22 VAL 60 HG22 VAL 60 8.026 5.137 -3.520 336 HG23 VAL 60 HG23 VAL 60 6.929 4.452 -2.322 337 H ALA 61 HN ALA 61 7.853 1.182 -1.756 338 HA ALA 61 HA ALA 61 6.010 0.808 0.308 339 HB1 ALA 61 HB1 ALA 61 7.931 0.806 1.817 340 HB2 ALA 61 HB2 ALA 61 8.938 1.493 0.543 341 HB3 ALA 61 HB3 ALA 61 8.264 -0.126 0.358 342 H GLU 62 HN GLU 62 5.365 2.057 2.038 343 HA GLU 62 HA GLU 62 4.724 4.690 1.509 344 HB2 GLU 62 HB2 GLU 62 4.872 3.280 4.175 345 HB3 GLU 62 HB1 GLU 62 4.136 4.857 3.935 346 HG2 GLU 62 HG2 GLU 62 2.415 3.195 3.988 347 HG3 GLU 62 HG1 GLU 62 2.541 3.830 2.351 348 HA PRO 63 HA PRO 63 8.441 6.092 4.416 349 HB2 PRO 63 HB2 PRO 63 10.596 4.372 4.158 350 HB3 PRO 63 HB1 PRO 63 9.517 4.445 5.554 351 HG2 PRO 63 HG2 PRO 63 9.493 2.565 3.231 352 HG3 PRO 63 HG1 PRO 63 9.196 2.235 4.949 353 HD2 PRO 63 HD2 PRO 63 7.176 2.419 3.210 354 HD3 PRO 63 HD1 PRO 63 7.027 3.057 4.861 355 H ASP 64 HN ASP 64 9.036 4.170 1.489 356 HA ASP 64 HA ASP 64 11.106 6.012 0.613 357 HB2 ASP 64 HB2 ASP 64 9.997 3.544 -0.742 358 HB3 ASP 64 HB1 ASP 64 11.393 4.471 -1.284 359 H PHE 65 HN PHE 65 7.860 6.109 0.533 360 HA PHE 65 HA PHE 65 7.211 6.640 -2.144 361 HB2 PHE 65 HB2 PHE 65 5.574 6.187 -0.298 362 HB3 PHE 65 HB1 PHE 65 5.863 7.821 0.291 363 HD1 PHE 65 HD2 PHE 65 4.708 5.921 -2.678 364 HD2 PHE 65 HD1 PHE 65 4.647 9.617 -0.570 365 HE1 PHE 65 HE2 PHE 65 2.974 6.761 -4.209 366 HE2 PHE 65 HE1 PHE 65 2.918 10.467 -2.102 367 HZ PHE 65 HZ PHE 65 2.079 9.036 -3.922 368 H THR 66 HN THR 66 8.565 8.651 0.367 369 HA THR 66 HA THR 66 8.201 11.162 -0.802 370 HB THR 66 HB THR 66 8.950 11.007 1.483 371 HG1 THR 66 HG1 THR 66 9.797 12.882 0.986 372 HG21 THR 66 HG21 THR 66 10.277 8.947 1.300 373 HG22 THR 66 HG22 THR 66 11.177 10.234 2.102 374 HG23 THR 66 HG23 THR 66 11.522 9.833 0.419 375 H ALA 67 HN ALA 67 10.709 8.720 -1.299 376 HA ALA 67 HA ALA 67 12.414 10.269 -2.924 377 HB1 ALA 67 HB1 ALA 67 13.364 8.123 -3.634 378 HB2 ALA 67 HB2 ALA 67 12.015 7.281 -2.871 379 HB3 ALA 67 HB3 ALA 67 13.155 8.196 -1.884 380 H ALA 68 HN ALA 68 9.699 8.130 -3.653 381 HA ALA 68 HA ALA 68 9.854 8.189 -6.440 382 HB1 ALA 68 HB1 ALA 68 8.420 6.631 -5.245 383 HB2 ALA 68 HB2 ALA 68 7.486 7.559 -6.419 384 HB3 ALA 68 HB3 ALA 68 7.401 7.963 -4.705 385 H VAL 69 HN VAL 69 8.317 10.396 -4.153 386 HA VAL 69 HA VAL 69 6.989 12.038 -6.003 387 HB VAL 69 HB VAL 69 8.157 12.812 -3.322 388 HG11 VAL 69 HG11 VAL 69 7.670 14.781 -4.645 389 HG12 VAL 69 HG12 VAL 69 6.471 14.615 -3.361 390 HG13 VAL 69 HG13 VAL 69 6.060 14.166 -5.016 391 HG21 VAL 69 HG21 VAL 69 5.384 11.873 -4.055 392 HG22 VAL 69 HG22 VAL 69 5.896 12.426 -2.461 393 HG23 VAL 69 HG23 VAL 69 6.584 10.954 -3.146 394 H TYR 70 HN TYR 70 10.268 12.238 -4.644 395 HA TYR 70 HA TYR 70 11.022 14.622 -5.932 396 HB2 TYR 70 HB2 TYR 70 12.597 12.315 -4.828 397 HB3 TYR 70 HB1 TYR 70 13.399 13.634 -5.673 398 HD1 TYR 70 HD1 TYR 70 13.433 15.884 -4.719 399 HD2 TYR 70 HD2 TYR 70 11.662 12.636 -2.623 400 HE1 TYR 70 HE1 TYR 70 13.476 17.208 -2.646 401 HE2 TYR 70 HE2 TYR 70 11.693 13.950 -0.547 402 HH TYR 70 HH TYR 70 12.870 15.829 0.429 403 H TRP 71 HN TRP 71 11.229 11.244 -6.974 404 HA TRP 71 HA TRP 71 12.687 11.710 -9.333 405 HB2 TRP 71 HB2 TRP 71 10.646 9.538 -8.818 406 HB3 TRP 71 HB1 TRP 71 11.847 9.535 -10.101 407 HD1 TRP 71 HD1 TRP 71 11.507 7.380 -7.630 408 HE1 TRP 71 HE1 TRP 71 13.596 6.837 -6.232 409 HE3 TRP 71 HE3 TRP 71 14.345 11.499 -8.743 410 HZ2 TRP 71 HZ2 TRP 71 16.105 7.988 -5.674 411 HZ3 TRP 71 HZ3 TRP 71 16.572 11.697 -7.726 412 HH2 TRP 71 HH2 TRP 71 17.436 9.978 -6.224 413 H ILE 72 HN ILE 72 9.183 11.599 -8.746 414 HA ILE 72 HA ILE 72 8.476 12.055 -11.459 415 HB ILE 72 HB ILE 72 6.790 12.683 -9.031 416 HG12 ILE 72 HG12 ILE 72 7.545 10.369 -8.910 417 HG13 ILE 72 HG11 ILE 72 5.842 10.413 -9.353 418 HG21 ILE 72 HG21 ILE 72 4.912 12.322 -10.572 419 HG22 ILE 72 HG22 ILE 72 6.056 12.076 -11.893 420 HG23 ILE 72 HG23 ILE 72 5.951 13.648 -11.099 421 HD11 ILE 72 HD11 ILE 72 6.466 10.043 -11.697 422 HD12 ILE 72 HD12 ILE 72 7.005 8.739 -10.638 423 HD13 ILE 72 HD13 ILE 72 8.158 9.945 -11.213 424 H LYS 73 HN LYS 73 9.084 14.169 -8.714 425 HA LYS 73 HA LYS 73 8.307 16.594 -9.929 426 HB2 LYS 73 HB2 LYS 73 10.087 15.854 -7.653 427 HB3 LYS 73 HB1 LYS 73 10.152 17.499 -8.272 428 HG2 LYS 73 HG2 LYS 73 7.660 16.114 -7.313 429 HG3 LYS 73 HG1 LYS 73 8.630 17.249 -6.369 430 HD2 LYS 73 HD2 LYS 73 8.193 19.013 -7.957 431 HD3 LYS 73 HD1 LYS 73 7.331 17.896 -9.014 432 HE2 LYS 73 HE2 LYS 73 5.632 17.576 -7.281 433 HE3 LYS 73 HE1 LYS 73 6.501 18.690 -6.226 434 HZ1 LYS 73 HZ1 LYS 73 6.112 20.471 -7.748 435 HZ2 LYS 73 HZ2 LYS 73 4.617 19.724 -7.434 436 HZ3 LYS 73 HZ3 LYS 73 5.426 19.427 -8.894 437 H THR 74 HN THR 74 10.952 14.534 -10.522 438 HA THR 74 HA THR 74 12.548 16.633 -11.739 439 HB THR 74 HB THR 74 13.088 13.660 -11.785 440 HG1 THR 74 HG1 THR 74 12.903 14.345 -9.606 441 HG21 THR 74 HG21 THR 74 14.888 16.071 -11.993 442 HG22 THR 74 HG22 THR 74 14.403 15.031 -13.332 443 HG23 THR 74 HG23 THR 74 15.411 14.389 -12.035 444 H TYR 75 HN TYR 75 10.157 14.312 -12.605 445 HA TYR 75 HA TYR 75 10.769 14.454 -15.443 446 HB2 TYR 75 HB2 TYR 75 9.916 12.332 -14.422 447 HB3 TYR 75 HB1 TYR 75 8.399 13.155 -14.078 448 HD1 TYR 75 HD1 TYR 75 10.682 12.530 -16.976 449 HD2 TYR 75 HD2 TYR 75 6.671 12.890 -15.591 450 HE1 TYR 75 HE1 TYR 75 9.861 11.950 -19.219 451 HE2 TYR 75 HE2 TYR 75 5.842 12.308 -17.831 452 HH TYR 75 HH TYR 75 7.928 11.109 -20.318 453 H GLN 76 HN GLN 76 8.288 15.547 -13.170 454 HA GLN 76 HA GLN 76 7.007 17.115 -15.286 455 HB2 GLN 76 HB2 GLN 76 5.865 15.589 -13.411 456 HB3 GLN 76 HB1 GLN 76 5.984 17.075 -12.486 457 HG2 GLN 76 HG2 GLN 76 4.534 16.682 -15.092 458 HG3 GLN 76 HG1 GLN 76 3.814 16.914 -13.501 459 HE21 GLN 76 HE21 GLN 76 3.908 18.983 -12.545 460 HE22 GLN 76 HE22 GLN 76 4.166 20.402 -13.502 Start of MODEL 4 1 H1 LYS 19 HT1 LYS 19 1.361 -0.465 1.259 2 H2 LYS 19 HT2 LYS 19 -0.031 -1.281 0.753 3 H3 LYS 19 HT3 LYS 19 -0.016 0.412 0.819 4 HA LYS 19 HA LYS 19 1.710 0.451 -0.900 5 HB2 LYS 19 HB2 LYS 19 1.037 -2.491 -1.174 6 HB3 LYS 19 HB1 LYS 19 2.225 -1.583 -2.103 7 HG2 LYS 19 HG2 LYS 19 3.705 -1.439 -0.303 8 HG3 LYS 19 HG1 LYS 19 2.455 -1.853 0.872 9 HD2 LYS 19 HD2 LYS 19 2.343 -4.124 -0.193 10 HD3 LYS 19 HD1 LYS 19 3.760 -3.674 -1.145 11 HE2 LYS 19 HE2 LYS 19 5.070 -3.378 0.848 12 HE3 LYS 19 HE1 LYS 19 3.654 -3.625 1.866 13 HZ1 LYS 19 HZ1 LYS 19 5.102 -5.586 1.717 14 HZ2 LYS 19 HZ2 LYS 19 4.801 -5.677 0.051 15 HZ3 LYS 19 HZ3 LYS 19 3.532 -5.897 1.154 16 H ASP 20 HN ASP 20 0.007 1.808 -1.537 17 HA ASP 20 HA ASP 20 -1.982 0.828 -3.346 18 HB2 ASP 20 HB2 ASP 20 -3.919 1.344 -1.832 19 HB3 ASP 20 HB1 ASP 20 -2.985 -0.068 -1.341 20 H LYS 21 HN LYS 21 -0.023 3.037 -3.039 21 HA LYS 21 HA LYS 21 -1.721 5.346 -2.510 22 HB2 LYS 21 HB2 LYS 21 1.271 5.121 -2.835 23 HB3 LYS 21 HB1 LYS 21 0.413 6.623 -2.504 24 HG2 LYS 21 HG2 LYS 21 0.470 4.185 -0.730 25 HG3 LYS 21 HG1 LYS 21 1.350 5.692 -0.464 26 HD2 LYS 21 HD2 LYS 21 -0.725 6.907 -0.227 27 HD3 LYS 21 HD1 LYS 21 -1.656 5.465 -0.631 28 HE2 LYS 21 HE2 LYS 21 0.157 5.709 1.765 29 HE3 LYS 21 HE1 LYS 21 -1.580 5.996 1.806 30 HZ1 LYS 21 HZ1 LYS 21 -0.158 3.444 1.293 31 HZ2 LYS 21 HZ2 LYS 21 -1.801 3.656 0.904 32 HZ3 LYS 21 HZ3 LYS 21 -1.286 3.803 2.513 33 H ASP 22 HN ASP 22 -2.716 6.293 -4.096 34 HA ASP 22 HA ASP 22 -2.304 5.861 -6.831 35 HB2 ASP 22 HB2 ASP 22 -3.631 8.192 -5.423 36 HB3 ASP 22 HB1 ASP 22 -3.755 7.865 -7.145 37 H LEU 23 HN LEU 23 -0.379 6.322 -7.763 38 HA LEU 23 HA LEU 23 1.012 8.782 -7.068 39 HB2 LEU 23 HB2 LEU 23 2.183 6.559 -7.404 40 HB3 LEU 23 HB1 LEU 23 1.788 6.694 -9.108 41 HG LEU 23 HG LEU 23 3.077 8.837 -9.187 42 HD11 LEU 23 HD11 LEU 23 4.646 9.318 -7.379 43 HD12 LEU 23 HD12 LEU 23 3.966 7.996 -6.430 44 HD13 LEU 23 HD13 LEU 23 2.976 9.405 -6.816 45 HD21 LEU 23 HD21 LEU 23 5.266 7.772 -9.203 46 HD22 LEU 23 HD22 LEU 23 4.051 6.729 -9.941 47 HD23 LEU 23 HD23 LEU 23 4.618 6.402 -8.303 48 H LEU 24 HN LEU 24 0.071 7.188 -10.099 49 HA LEU 24 HA LEU 24 -0.334 9.839 -11.333 50 HB2 LEU 24 HB2 LEU 24 0.168 7.198 -12.711 51 HB3 LEU 24 HB1 LEU 24 0.126 8.782 -13.461 52 HG LEU 24 HG LEU 24 2.202 7.938 -11.440 53 HD11 LEU 24 HD11 LEU 24 2.354 8.007 -14.448 54 HD12 LEU 24 HD12 LEU 24 2.363 6.562 -13.438 55 HD13 LEU 24 HD13 LEU 24 3.704 7.705 -13.355 56 HD21 LEU 24 HD21 LEU 24 2.024 10.291 -13.320 57 HD22 LEU 24 HD22 LEU 24 3.413 9.895 -12.308 58 HD23 LEU 24 HD23 LEU 24 1.878 10.340 -11.562 59 H LYS 25 HN LYS 25 -2.308 10.248 -12.302 60 HA LYS 25 HA LYS 25 -4.284 8.076 -12.181 61 HB2 LYS 25 HB2 LYS 25 -4.523 10.902 -11.222 62 HB3 LYS 25 HB1 LYS 25 -5.950 10.064 -11.811 63 HG2 LYS 25 HG2 LYS 25 -5.979 9.763 -9.496 64 HG3 LYS 25 HG1 LYS 25 -5.387 8.237 -10.148 65 HD2 LYS 25 HD2 LYS 25 -4.081 8.826 -8.220 66 HD3 LYS 25 HD1 LYS 25 -3.073 8.980 -9.659 67 HE2 LYS 25 HE2 LYS 25 -3.273 11.358 -9.636 68 HE3 LYS 25 HE1 LYS 25 -4.515 11.299 -8.385 69 HZ1 LYS 25 HZ1 LYS 25 -2.312 11.924 -7.524 70 HZ2 LYS 25 HZ2 LYS 25 -1.702 10.417 -8.002 71 HZ3 LYS 25 HZ3 LYS 25 -2.909 10.504 -6.813 72 H GLY 26 HN GLY 26 -4.909 7.559 -14.148 73 HA2 GLY 26 HA2 GLY 26 -6.252 8.094 -16.045 74 HA3 GLY 26 HA1 GLY 26 -5.644 9.740 -15.977 75 H LEU 27 HN LEU 27 -3.160 7.522 -15.546 76 HA LEU 27 HA LEU 27 -2.304 7.983 -18.313 77 HB2 LEU 27 HB2 LEU 27 -0.746 7.377 -15.806 78 HB3 LEU 27 HB1 LEU 27 -0.027 7.281 -17.399 79 HG LEU 27 HG LEU 27 -0.689 9.724 -17.697 80 HD11 LEU 27 HD11 LEU 27 -1.065 9.516 -14.713 81 HD12 LEU 27 HD12 LEU 27 -2.310 9.898 -15.904 82 HD13 LEU 27 HD13 LEU 27 -0.974 11.019 -15.633 83 HD21 LEU 27 HD21 LEU 27 1.322 8.970 -15.584 84 HD22 LEU 27 HD22 LEU 27 1.261 10.517 -16.427 85 HD23 LEU 27 HD23 LEU 27 1.600 9.036 -17.324 86 H ASP 28 HN ASP 28 -2.142 6.367 -19.710 87 HA ASP 28 HA ASP 28 -2.546 3.627 -18.857 88 HB2 ASP 28 HB2 ASP 28 -3.520 4.461 -20.982 89 HB3 ASP 28 HB1 ASP 28 -1.897 4.742 -21.603 90 H GLN 29 HN GLN 29 -0.935 1.961 -19.907 91 HA GLN 29 HA GLN 29 1.475 2.226 -18.504 92 HB2 GLN 29 HB2 GLN 29 0.832 0.360 -20.786 93 HB3 GLN 29 HB1 GLN 29 2.159 0.170 -19.645 94 HG2 GLN 29 HG2 GLN 29 0.569 -0.052 -17.824 95 HG3 GLN 29 HG1 GLN 29 -0.767 0.153 -18.956 96 HE21 GLN 29 HE21 GLN 29 -1.177 -1.494 -20.476 97 HE22 GLN 29 HE22 GLN 29 -0.619 -3.110 -20.218 98 H GLU 30 HN GLU 30 0.684 2.933 -21.858 99 HA GLU 30 HA GLU 30 3.390 3.207 -22.708 100 HB2 GLU 30 HB2 GLU 30 2.381 4.356 -24.690 101 HB3 GLU 30 HB1 GLU 30 1.736 2.753 -24.364 102 HG2 GLU 30 HG2 GLU 30 -0.192 3.840 -23.218 103 HG3 GLU 30 HG1 GLU 30 0.435 5.396 -23.765 104 H GLN 31 HN GLN 31 1.087 5.344 -21.206 105 HA GLN 31 HA GLN 31 2.732 7.696 -21.638 106 HB2 GLN 31 HB2 GLN 31 0.223 7.782 -21.576 107 HB3 GLN 31 HB1 GLN 31 0.301 7.380 -19.868 108 HG2 GLN 31 HG2 GLN 31 0.002 9.719 -20.024 109 HG3 GLN 31 HG1 GLN 31 1.670 9.445 -19.532 110 HE21 GLN 31 HE21 GLN 31 0.459 11.759 -20.813 111 HE22 GLN 31 HE22 GLN 31 1.315 12.003 -22.300 112 H ALA 32 HN ALA 32 1.806 5.530 -19.022 113 HA ALA 32 HA ALA 32 3.297 6.762 -16.959 114 HB1 ALA 32 HB1 ALA 32 1.483 5.158 -16.534 115 HB2 ALA 32 HB2 ALA 32 2.983 4.683 -15.735 116 HB3 ALA 32 HB3 ALA 32 2.475 3.870 -17.216 117 H ASN 33 HN ASN 33 4.195 4.854 -19.635 118 HA ASN 33 HA ASN 33 6.482 3.529 -18.866 119 HB2 ASN 33 HB2 ASN 33 5.457 3.443 -21.128 120 HB3 ASN 33 HB1 ASN 33 6.079 5.057 -21.451 121 HD21 ASN 33 HD21 ASN 33 6.813 1.705 -21.183 122 HD22 ASN 33 HD22 ASN 33 8.435 1.797 -21.775 123 H GLU 34 HN GLU 34 6.066 6.935 -19.674 124 HA GLU 34 HA GLU 34 8.708 7.820 -19.634 125 HB2 GLU 34 HB2 GLU 34 6.163 9.203 -18.774 126 HB3 GLU 34 HB1 GLU 34 7.707 10.025 -18.942 127 HG2 GLU 34 HG2 GLU 34 6.448 8.520 -21.208 128 HG3 GLU 34 HG1 GLU 34 6.063 10.206 -20.865 129 H VAL 35 HN VAL 35 6.498 7.101 -17.038 130 HA VAL 35 HA VAL 35 8.165 8.363 -15.033 131 HB VAL 35 HB VAL 35 5.534 6.899 -14.822 132 HG11 VAL 35 HG11 VAL 35 6.772 6.663 -12.746 133 HG12 VAL 35 HG12 VAL 35 5.419 7.776 -12.533 134 HG13 VAL 35 HG13 VAL 35 7.059 8.401 -12.702 135 HG21 VAL 35 HG21 VAL 35 5.389 9.025 -16.000 136 HG22 VAL 35 HG22 VAL 35 6.215 9.833 -14.669 137 HG23 VAL 35 HG23 VAL 35 4.614 9.138 -14.417 138 H ILE 36 HN ILE 36 6.983 5.087 -15.794 139 HA ILE 36 HA ILE 36 8.099 3.796 -13.585 140 HB ILE 36 HB ILE 36 6.427 2.732 -15.024 141 HG12 ILE 36 HG12 ILE 36 9.007 1.159 -14.866 142 HG13 ILE 36 HG11 ILE 36 7.840 1.341 -13.562 143 HG21 ILE 36 HG21 ILE 36 7.057 1.719 -17.161 144 HG22 ILE 36 HG22 ILE 36 8.654 2.459 -17.036 145 HG23 ILE 36 HG23 ILE 36 7.222 3.475 -17.193 146 HD11 ILE 36 HD11 ILE 36 7.627 -0.813 -14.651 147 HD12 ILE 36 HD12 ILE 36 7.345 -0.016 -16.200 148 HD13 ILE 36 HD13 ILE 36 6.175 0.159 -14.892 149 H ALA 37 HN ALA 37 9.542 4.666 -16.665 150 HA ALA 37 HA ALA 37 11.898 3.168 -16.499 151 HB1 ALA 37 HB1 ALA 37 11.511 5.892 -17.740 152 HB2 ALA 37 HB2 ALA 37 11.225 4.340 -18.530 153 HB3 ALA 37 HB3 ALA 37 12.857 4.794 -18.044 154 H VAL 38 HN VAL 38 11.023 6.277 -15.130 155 HA VAL 38 HA VAL 38 13.535 7.057 -14.139 156 HB VAL 38 HB VAL 38 10.739 7.713 -13.199 157 HG11 VAL 38 HG11 VAL 38 11.737 9.598 -11.983 158 HG12 VAL 38 HG12 VAL 38 13.346 8.974 -12.357 159 HG13 VAL 38 HG13 VAL 38 12.248 8.039 -11.338 160 HG21 VAL 38 HG21 VAL 38 12.731 9.247 -14.863 161 HG22 VAL 38 HG22 VAL 38 11.162 9.855 -14.332 162 HG23 VAL 38 HG23 VAL 38 11.248 8.485 -15.439 163 H LEU 39 HN LEU 39 10.871 5.260 -12.619 164 HA LEU 39 HA LEU 39 12.075 5.012 -10.083 165 HB2 LEU 39 HB2 LEU 39 9.930 3.407 -11.460 166 HB3 LEU 39 HB1 LEU 39 10.484 3.015 -9.845 167 HG LEU 39 HG LEU 39 8.511 4.265 -9.560 168 HD11 LEU 39 HD11 LEU 39 10.278 4.944 -8.053 169 HD12 LEU 39 HD12 LEU 39 9.239 6.315 -8.449 170 HD13 LEU 39 HD13 LEU 39 10.821 6.157 -9.211 171 HD21 LEU 39 HD21 LEU 39 9.620 6.289 -11.493 172 HD22 LEU 39 HD22 LEU 39 8.109 6.442 -10.595 173 HD23 LEU 39 HD23 LEU 39 8.294 5.165 -11.798 174 H GLN 40 HN GLN 40 11.998 2.799 -12.866 175 HA GLN 40 HA GLN 40 13.476 0.737 -11.629 176 HB2 GLN 40 HB2 GLN 40 13.319 1.369 -14.583 177 HB3 GLN 40 HB1 GLN 40 13.804 -0.164 -13.870 178 HG2 GLN 40 HG2 GLN 40 11.548 -0.398 -12.909 179 HG3 GLN 40 HG1 GLN 40 11.077 1.102 -13.710 180 HE21 GLN 40 HE21 GLN 40 11.774 -2.254 -14.089 181 HE22 GLN 40 HE22 GLN 40 11.280 -2.388 -15.741 182 H MET 41 HN MET 41 14.410 3.638 -13.328 183 HA MET 41 HA MET 41 17.140 3.052 -13.730 184 HB2 MET 41 HB2 MET 41 16.040 4.889 -14.882 185 HB3 MET 41 HB1 MET 41 15.737 5.702 -13.352 186 HG2 MET 41 HG2 MET 41 18.209 5.868 -13.041 187 HG3 MET 41 HG1 MET 41 18.402 5.232 -14.672 188 HE1 MET 41 HE1 MET 41 17.517 6.447 -16.838 189 HE2 MET 41 HE2 MET 41 16.741 8.031 -16.845 190 HE3 MET 41 HE3 MET 41 15.901 6.637 -16.163 191 H HIS 42 HN HIS 42 15.358 4.140 -10.940 192 HA HIS 42 HA HIS 42 17.846 4.740 -9.516 193 HB2 HIS 42 HB2 HIS 42 14.957 5.323 -8.917 194 HB3 HIS 42 HB1 HIS 42 16.210 5.505 -7.694 195 HD1 HIS 42 HD1 HIS 42 15.164 8.079 -7.996 196 HD2 HIS 42 HD2 HIS 42 17.710 6.625 -10.935 197 HE1 HIS 42 HE1 HIS 42 16.014 10.101 -9.212 198 HE2 HIS 42 HE2 HIS 42 17.714 9.209 -10.841 199 H ASN 43 HN ASN 43 16.247 2.079 -10.180 200 HA ASN 43 HA ASN 43 16.019 0.010 -9.272 201 HB2 ASN 43 HB2 ASN 43 18.545 0.597 -8.943 202 HB3 ASN 43 HB1 ASN 43 18.115 0.705 -7.239 203 HD21 ASN 43 HD21 ASN 43 17.345 -1.185 -6.179 204 HD22 ASN 43 HD22 ASN 43 17.686 -2.761 -6.808 205 H ILE 44 HN ILE 44 14.192 1.865 -8.301 206 HA ILE 44 HA ILE 44 13.902 1.056 -5.493 207 HB ILE 44 HB ILE 44 13.667 3.450 -5.801 208 HG12 ILE 44 HG12 ILE 44 10.950 2.205 -5.340 209 HG13 ILE 44 HG11 ILE 44 12.221 2.342 -4.129 210 HG21 ILE 44 HG21 ILE 44 11.478 2.806 -7.764 211 HG22 ILE 44 HG22 ILE 44 13.052 3.508 -8.136 212 HG23 ILE 44 HG23 ILE 44 11.887 4.420 -7.178 213 HD11 ILE 44 HD11 ILE 44 10.848 4.648 -5.493 214 HD12 ILE 44 HD12 ILE 44 12.084 4.763 -4.240 215 HD13 ILE 44 HD13 ILE 44 10.511 4.061 -3.866 216 H GLU 45 HN GLU 45 12.174 -0.152 -4.843 217 HA GLU 45 HA GLU 45 11.270 -2.018 -6.762 218 HB2 GLU 45 HB2 GLU 45 10.321 -1.630 -3.921 219 HB3 GLU 45 HB1 GLU 45 10.104 -3.073 -4.908 220 HG2 GLU 45 HG2 GLU 45 12.580 -3.282 -5.025 221 HG3 GLU 45 HG1 GLU 45 12.695 -1.943 -3.882 222 H ALA 46 HN ALA 46 9.797 -1.562 -8.236 223 HA ALA 46 HA ALA 46 7.534 0.162 -7.512 224 HB1 ALA 46 HB1 ALA 46 8.860 0.933 -9.398 225 HB2 ALA 46 HB2 ALA 46 7.241 0.472 -9.928 226 HB3 ALA 46 HB3 ALA 46 8.607 -0.606 -10.223 227 H ASN 47 HN ASN 47 5.550 -0.634 -7.384 228 HA ASN 47 HA ASN 47 5.038 -3.335 -8.437 229 HB2 ASN 47 HB2 ASN 47 3.823 -1.841 -6.114 230 HB3 ASN 47 HB1 ASN 47 3.091 -3.294 -6.788 231 HD21 ASN 47 HD21 ASN 47 5.762 -1.993 -4.979 232 HD22 ASN 47 HD22 ASN 47 6.355 -3.507 -4.381 233 H LYS 48 HN LYS 48 2.875 -3.694 -9.331 234 HA LYS 48 HA LYS 48 2.165 -1.349 -10.949 235 HB2 LYS 48 HB2 LYS 48 2.994 -3.565 -11.958 236 HB3 LYS 48 HB1 LYS 48 1.419 -4.211 -11.521 237 HG2 LYS 48 HG2 LYS 48 1.379 -3.568 -13.820 238 HG3 LYS 48 HG1 LYS 48 0.368 -2.446 -12.908 239 HD2 LYS 48 HD2 LYS 48 1.978 -0.735 -13.025 240 HD3 LYS 48 HD1 LYS 48 3.244 -1.848 -13.538 241 HE2 LYS 48 HE2 LYS 48 0.799 -1.174 -15.166 242 HE3 LYS 48 HE1 LYS 48 2.373 -0.404 -15.364 243 HZ1 LYS 48 HZ1 LYS 48 2.118 -2.158 -16.974 244 HZ2 LYS 48 HZ2 LYS 48 1.757 -3.288 -15.766 245 HZ3 LYS 48 HZ3 LYS 48 3.313 -2.613 -15.858 246 H ILE 49 HN ILE 49 0.408 -0.289 -10.272 247 HA ILE 49 HA ILE 49 -1.860 -1.869 -9.244 248 HB ILE 49 HB ILE 49 -2.614 0.334 -8.199 249 HG12 ILE 49 HG12 ILE 49 0.304 1.032 -8.607 250 HG13 ILE 49 HG11 ILE 49 -1.043 1.791 -9.447 251 HG21 ILE 49 HG21 ILE 49 -1.149 0.034 -6.229 252 HG22 ILE 49 HG22 ILE 49 -0.150 -1.064 -7.183 253 HG23 ILE 49 HG23 ILE 49 -1.832 -1.474 -6.838 254 HD11 ILE 49 HD11 ILE 49 -0.537 1.876 -6.483 255 HD12 ILE 49 HD12 ILE 49 -1.896 2.632 -7.315 256 HD13 ILE 49 HD13 ILE 49 -0.250 3.185 -7.628 257 H ASP 50 HN ASP 50 -3.468 -2.030 -10.629 258 HA ASP 50 HA ASP 50 -3.980 0.197 -12.486 259 HB2 ASP 50 HB2 ASP 50 -4.897 -1.332 -14.040 260 HB3 ASP 50 HB1 ASP 50 -3.442 -2.117 -13.438 261 H SER 51 HN SER 51 -6.001 1.107 -12.578 262 HA SER 51 HA SER 51 -8.303 -0.103 -11.368 263 HB2 SER 51 HB2 SER 51 -7.138 2.383 -10.077 264 HB3 SER 51 HB1 SER 51 -8.739 1.732 -9.736 265 HG SER 51 HG SER 51 -7.038 -0.255 -9.445 266 H GLY 52 HN GLY 52 -10.251 1.343 -11.620 267 HA2 GLY 52 HA2 GLY 52 -10.254 2.594 -14.178 268 HA3 GLY 52 HA1 GLY 52 -11.574 2.617 -13.014 269 H LYS 53 HN LYS 53 -10.357 3.843 -10.877 270 HA LYS 53 HA LYS 53 -10.456 6.599 -11.578 271 HB2 LYS 53 HB2 LYS 53 -9.776 6.958 -9.206 272 HB3 LYS 53 HB1 LYS 53 -11.143 5.861 -9.370 273 HG2 LYS 53 HG2 LYS 53 -9.959 4.044 -8.683 274 HG3 LYS 53 HG1 LYS 53 -8.430 4.664 -9.304 275 HD2 LYS 53 HD2 LYS 53 -8.359 6.279 -7.439 276 HD3 LYS 53 HD1 LYS 53 -9.866 5.598 -6.817 277 HE2 LYS 53 HE2 LYS 53 -8.850 3.512 -6.357 278 HE3 LYS 53 HE1 LYS 53 -7.414 3.920 -7.292 279 HZ1 LYS 53 HZ1 LYS 53 -8.207 5.358 -4.819 280 HZ2 LYS 53 HZ2 LYS 53 -6.722 5.453 -5.643 281 HZ3 LYS 53 HZ3 LYS 53 -7.155 4.029 -4.826 282 H LEU 54 HN LEU 54 -7.987 4.362 -11.882 283 HA LEU 54 HA LEU 54 -5.884 6.275 -11.121 284 HB2 LEU 54 HB2 LEU 54 -6.216 4.240 -9.709 285 HB3 LEU 54 HB1 LEU 54 -5.783 3.266 -11.097 286 HG LEU 54 HG LEU 54 -3.548 4.334 -11.106 287 HD11 LEU 54 HD11 LEU 54 -4.482 5.555 -8.509 288 HD12 LEU 54 HD12 LEU 54 -4.151 6.430 -10.005 289 HD13 LEU 54 HD13 LEU 54 -2.841 5.613 -9.154 290 HD21 LEU 54 HD21 LEU 54 -4.385 3.000 -8.535 291 HD22 LEU 54 HD22 LEU 54 -2.728 3.147 -9.121 292 HD23 LEU 54 HD23 LEU 54 -3.902 2.191 -10.026 293 H GLY 55 HN GLY 55 -6.701 3.669 -13.393 294 HA2 GLY 55 HA2 GLY 55 -5.918 3.398 -15.585 295 HA3 GLY 55 HA1 GLY 55 -4.755 4.694 -15.306 296 H TYR 56 HN TYR 56 -2.750 3.927 -15.445 297 HA TYR 56 HA TYR 56 -2.152 1.528 -13.847 298 HB2 TYR 56 HB2 TYR 56 -0.874 2.414 -16.440 299 HB3 TYR 56 HB1 TYR 56 -0.204 1.161 -15.399 300 HD1 TYR 56 HD2 TYR 56 -1.365 -0.999 -15.156 301 HD2 TYR 56 HD1 TYR 56 -2.794 1.992 -17.824 302 HE1 TYR 56 HE2 TYR 56 -2.771 -2.676 -16.274 303 HE2 TYR 56 HE1 TYR 56 -4.203 0.322 -18.948 304 HH TYR 56 HH TYR 56 -4.382 -2.043 -19.253 305 H SER 57 HN SER 57 -0.941 1.988 -12.138 306 HA SER 57 HA SER 57 0.624 4.484 -12.208 307 HB2 SER 57 HB2 SER 57 -1.637 3.951 -10.680 308 HB3 SER 57 HB1 SER 57 -0.298 3.706 -9.559 309 HG SER 57 HG SER 57 -1.224 6.012 -10.765 310 H ILE 58 HN ILE 58 2.316 4.601 -10.557 311 HA ILE 58 HA ILE 58 3.631 1.999 -10.173 312 HB ILE 58 HB ILE 58 4.908 4.740 -10.016 313 HG12 ILE 58 HG12 ILE 58 4.122 4.352 -12.303 314 HG13 ILE 58 HG11 ILE 58 5.881 4.274 -12.229 315 HG21 ILE 58 HG21 ILE 58 7.012 3.472 -10.219 316 HG22 ILE 58 HG22 ILE 58 6.090 1.972 -10.157 317 HG23 ILE 58 HG23 ILE 58 6.101 3.056 -8.767 318 HD11 ILE 58 HD11 ILE 58 5.754 1.824 -12.245 319 HD12 ILE 58 HD12 ILE 58 4.999 2.539 -13.671 320 HD13 ILE 58 HD13 ILE 58 3.997 1.926 -12.356 321 H THR 59 HN THR 59 2.933 1.302 -8.168 322 HA THR 59 HA THR 59 3.196 3.208 -5.954 323 HB THR 59 HB THR 59 1.078 1.905 -6.006 324 HG1 THR 59 HG1 THR 59 2.871 1.474 -3.829 325 HG21 THR 59 HG21 THR 59 1.963 -0.173 -6.966 326 HG22 THR 59 HG22 THR 59 1.088 -0.463 -5.463 327 HG23 THR 59 HG23 THR 59 2.851 -0.476 -5.473 328 H VAL 60 HN VAL 60 4.773 3.040 -4.497 329 HA VAL 60 HA VAL 60 6.653 0.799 -4.787 330 HB VAL 60 HB VAL 60 8.411 2.279 -3.946 331 HG11 VAL 60 HG11 VAL 60 8.589 3.778 -5.900 332 HG12 VAL 60 HG12 VAL 60 6.922 3.384 -6.322 333 HG13 VAL 60 HG13 VAL 60 8.158 2.125 -6.335 334 HG21 VAL 60 HG21 VAL 60 8.037 4.679 -3.706 335 HG22 VAL 60 HG22 VAL 60 7.038 3.761 -2.579 336 HG23 VAL 60 HG23 VAL 60 6.319 4.452 -4.035 337 H ALA 61 HN ALA 61 8.000 0.594 -2.658 338 HA ALA 61 HA ALA 61 6.509 -0.395 -0.608 339 HB1 ALA 61 HB1 ALA 61 8.923 -0.676 -0.755 340 HB2 ALA 61 HB2 ALA 61 8.456 -0.091 0.842 341 HB3 ALA 61 HB3 ALA 61 9.161 1.019 -0.332 342 H GLU 62 HN GLU 62 5.558 0.358 1.256 343 HA GLU 62 HA GLU 62 4.137 2.709 0.967 344 HB2 GLU 62 HB2 GLU 62 3.727 0.652 2.489 345 HB3 GLU 62 HB1 GLU 62 4.623 1.568 3.691 346 HG2 GLU 62 HG2 GLU 62 2.551 2.268 4.223 347 HG3 GLU 62 HG1 GLU 62 2.900 3.455 2.967 348 HA PRO 63 HA PRO 63 6.967 5.014 4.105 349 HB2 PRO 63 HB2 PRO 63 9.446 3.477 4.309 350 HB3 PRO 63 HB1 PRO 63 8.396 4.076 5.596 351 HG2 PRO 63 HG2 PRO 63 8.603 1.446 5.025 352 HG3 PRO 63 HG1 PRO 63 7.094 2.179 5.604 353 HD2 PRO 63 HD2 PRO 63 7.901 1.453 2.807 354 HD3 PRO 63 HD1 PRO 63 6.351 1.187 3.634 355 H ASP 64 HN ASP 64 8.176 3.350 1.333 356 HA ASP 64 HA ASP 64 10.264 5.317 0.828 357 HB2 ASP 64 HB2 ASP 64 9.468 2.767 -0.563 358 HB3 ASP 64 HB1 ASP 64 10.642 3.882 -1.251 359 H PHE 65 HN PHE 65 7.042 5.269 0.413 360 HA PHE 65 HA PHE 65 6.631 6.090 -2.234 361 HB2 PHE 65 HB2 PHE 65 4.799 5.466 -0.704 362 HB3 PHE 65 HB1 PHE 65 5.093 6.920 0.243 363 HD1 PHE 65 HD2 PHE 65 4.373 5.913 -3.278 364 HD2 PHE 65 HD1 PHE 65 3.785 8.762 -0.170 365 HE1 PHE 65 HE2 PHE 65 2.819 7.162 -4.720 366 HE2 PHE 65 HE1 PHE 65 2.231 10.016 -1.607 367 HZ PHE 65 HZ PHE 65 1.746 9.215 -3.886 368 H THR 66 HN THR 66 7.862 7.750 0.545 369 HA THR 66 HA THR 66 7.611 10.407 -0.216 370 HB THR 66 HB THR 66 8.387 9.884 1.995 371 HG1 THR 66 HG1 THR 66 10.720 10.950 1.656 372 HG21 THR 66 HG21 THR 66 10.830 8.661 0.712 373 HG22 THR 66 HG22 THR 66 9.526 7.778 1.505 374 HG23 THR 66 HG23 THR 66 10.560 8.855 2.444 375 H ALA 67 HN ALA 67 10.037 8.006 -1.144 376 HA ALA 67 HA ALA 67 11.714 9.824 -2.542 377 HB1 ALA 67 HB1 ALA 67 11.505 6.827 -2.797 378 HB2 ALA 67 HB2 ALA 67 12.549 7.700 -1.673 379 HB3 ALA 67 HB3 ALA 67 12.818 7.831 -3.411 380 H ALA 68 HN ALA 68 9.165 7.584 -3.513 381 HA ALA 68 HA ALA 68 9.384 7.713 -6.268 382 HB1 ALA 68 HB1 ALA 68 7.059 7.043 -6.363 383 HB2 ALA 68 HB2 ALA 68 6.820 7.547 -4.691 384 HB3 ALA 68 HB3 ALA 68 7.880 6.186 -5.059 385 H VAL 69 HN VAL 69 7.570 9.869 -4.106 386 HA VAL 69 HA VAL 69 6.345 11.446 -6.064 387 HB VAL 69 HB VAL 69 7.221 12.294 -3.298 388 HG11 VAL 69 HG11 VAL 69 5.427 13.963 -3.471 389 HG12 VAL 69 HG12 VAL 69 5.136 13.469 -5.138 390 HG13 VAL 69 HG13 VAL 69 6.672 14.211 -4.693 391 HG21 VAL 69 HG21 VAL 69 4.917 11.733 -2.640 392 HG22 VAL 69 HG22 VAL 69 5.814 10.323 -3.206 393 HG23 VAL 69 HG23 VAL 69 4.628 11.096 -4.259 394 H TYR 70 HN TYR 70 9.501 11.769 -4.507 395 HA TYR 70 HA TYR 70 10.014 14.306 -5.736 396 HB2 TYR 70 HB2 TYR 70 11.672 12.469 -4.032 397 HB3 TYR 70 HB1 TYR 70 12.364 13.905 -4.788 398 HD1 TYR 70 HD1 TYR 70 11.349 16.152 -4.272 399 HD2 TYR 70 HD2 TYR 70 10.396 12.655 -2.046 400 HE1 TYR 70 HE1 TYR 70 10.485 17.555 -2.451 401 HE2 TYR 70 HE2 TYR 70 9.530 14.051 -0.215 402 HH TYR 70 HH TYR 70 9.801 16.345 0.639 403 H TRP 71 HN TRP 71 10.590 11.002 -6.618 404 HA TRP 71 HA TRP 71 12.553 11.572 -8.602 405 HB2 TRP 71 HB2 TRP 71 10.595 9.268 -8.472 406 HB3 TRP 71 HB1 TRP 71 11.991 9.362 -9.536 407 HD1 TRP 71 HD1 TRP 71 11.543 7.035 -7.372 408 HE1 TRP 71 HE1 TRP 71 13.338 6.626 -5.578 409 HE3 TRP 71 HE3 TRP 71 13.892 11.603 -7.472 410 HZ2 TRP 71 HZ2 TRP 71 15.451 8.030 -4.369 411 HZ3 TRP 71 HZ3 TRP 71 15.789 11.973 -5.957 412 HH2 TRP 71 HH2 TRP 71 16.551 10.223 -4.438 413 H ILE 72 HN ILE 72 9.051 11.592 -8.517 414 HA ILE 72 HA ILE 72 8.625 11.971 -11.301 415 HB ILE 72 HB ILE 72 6.845 13.008 -9.093 416 HG12 ILE 72 HG12 ILE 72 7.294 10.676 -8.602 417 HG13 ILE 72 HG11 ILE 72 5.663 10.823 -9.243 418 HG21 ILE 72 HG21 ILE 72 5.054 12.653 -10.726 419 HG22 ILE 72 HG22 ILE 72 6.245 12.108 -11.907 420 HG23 ILE 72 HG23 ILE 72 6.273 13.774 -11.331 421 HD11 ILE 72 HD11 ILE 72 8.083 9.898 -10.766 422 HD12 ILE 72 HD12 ILE 72 6.456 10.059 -11.423 423 HD13 ILE 72 HD13 ILE 72 6.781 8.880 -10.152 424 H LYS 73 HN LYS 73 9.597 14.023 -8.706 425 HA LYS 73 HA LYS 73 8.941 16.540 -9.803 426 HB2 LYS 73 HB2 LYS 73 11.079 15.734 -7.828 427 HB3 LYS 73 HB1 LYS 73 10.707 17.403 -8.238 428 HG2 LYS 73 HG2 LYS 73 8.826 15.420 -6.978 429 HG3 LYS 73 HG1 LYS 73 9.622 16.776 -6.172 430 HD2 LYS 73 HD2 LYS 73 8.465 18.332 -7.665 431 HD3 LYS 73 HD1 LYS 73 7.664 16.974 -8.456 432 HE2 LYS 73 HE2 LYS 73 6.630 16.367 -6.298 433 HE3 LYS 73 HE1 LYS 73 7.379 17.782 -5.563 434 HZ1 LYS 73 HZ1 LYS 73 5.390 17.807 -7.768 435 HZ2 LYS 73 HZ2 LYS 73 6.136 19.181 -7.115 436 HZ3 LYS 73 HZ3 LYS 73 5.102 18.241 -6.154 437 H THR 74 HN THR 74 11.290 14.251 -10.684 438 HA THR 74 HA THR 74 13.084 16.221 -11.849 439 HB THR 74 HB THR 74 13.361 13.267 -12.288 440 HG1 THR 74 HG1 THR 74 13.205 14.480 -9.870 441 HG21 THR 74 HG21 THR 74 14.928 14.830 -13.358 442 HG22 THR 74 HG22 THR 74 15.741 13.825 -12.157 443 HG23 THR 74 HG23 THR 74 15.330 15.499 -11.778 444 H TYR 75 HN TYR 75 10.222 14.774 -12.707 445 HA TYR 75 HA TYR 75 10.857 14.590 -15.541 446 HB2 TYR 75 HB2 TYR 75 9.344 12.911 -14.459 447 HB3 TYR 75 HB1 TYR 75 8.175 14.202 -14.189 448 HD1 TYR 75 HD1 TYR 75 10.200 12.817 -17.017 449 HD2 TYR 75 HD2 TYR 75 6.452 14.353 -15.717 450 HE1 TYR 75 HE1 TYR 75 9.269 12.416 -19.256 451 HE2 TYR 75 HE2 TYR 75 5.509 13.958 -17.958 452 HH TYR 75 HH TYR 75 7.227 12.158 -20.392 453 H GLN 76 HN GLN 76 11.342 16.697 -16.046 454 HA GLN 76 HA GLN 76 9.304 18.733 -15.551 455 HB2 GLN 76 HB2 GLN 76 11.049 20.360 -16.153 456 HB3 GLN 76 HB1 GLN 76 11.560 19.313 -14.838 457 HG2 GLN 76 HG2 GLN 76 12.808 17.947 -16.510 458 HG3 GLN 76 HG1 GLN 76 12.405 19.164 -17.720 459 HE21 GLN 76 HE21 GLN 76 14.529 19.705 -18.082 460 HE22 GLN 76 HE22 GLN 76 15.483 20.579 -16.927 Start of MODEL 5 1 H1 LYS 19 HT1 LYS 19 -0.528 0.695 0.027 2 H2 LYS 19 HT2 LYS 19 0.497 -0.551 0.528 3 H3 LYS 19 HT3 LYS 19 -0.932 -0.915 -0.313 4 HA LYS 19 HA LYS 19 1.422 0.532 -1.383 5 HB2 LYS 19 HB2 LYS 19 0.326 -2.235 -1.932 6 HB3 LYS 19 HB1 LYS 19 1.627 -1.474 -2.842 7 HG2 LYS 19 HG2 LYS 19 3.054 -1.458 -0.953 8 HG3 LYS 19 HG1 LYS 19 1.740 -1.928 0.125 9 HD2 LYS 19 HD2 LYS 19 1.591 -4.088 -1.003 10 HD3 LYS 19 HD1 LYS 19 2.902 -3.613 -2.087 11 HE2 LYS 19 HE2 LYS 19 3.697 -5.030 -0.246 12 HE3 LYS 19 HE1 LYS 19 4.425 -3.426 -0.216 13 HZ1 LYS 19 HZ1 LYS 19 2.867 -2.779 1.516 14 HZ2 LYS 19 HZ2 LYS 19 3.753 -4.147 1.990 15 HZ3 LYS 19 HZ3 LYS 19 2.147 -4.320 1.476 16 H ASP 20 HN ASP 20 -1.129 1.698 -1.368 17 HA ASP 20 HA ASP 20 -1.729 1.650 -4.240 18 HB2 ASP 20 HB2 ASP 20 -4.136 2.021 -3.696 19 HB3 ASP 20 HB1 ASP 20 -3.545 0.443 -3.192 20 H LYS 21 HN LYS 21 0.001 3.405 -3.678 21 HA LYS 21 HA LYS 21 -1.267 5.902 -2.823 22 HB2 LYS 21 HB2 LYS 21 1.613 5.488 -3.649 23 HB3 LYS 21 HB1 LYS 21 0.942 6.876 -2.812 24 HG2 LYS 21 HG2 LYS 21 1.997 5.790 -1.099 25 HG3 LYS 21 HG1 LYS 21 0.374 5.112 -0.963 26 HD2 LYS 21 HD2 LYS 21 1.037 3.113 -2.090 27 HD3 LYS 21 HD1 LYS 21 2.600 3.807 -2.520 28 HE2 LYS 21 HE2 LYS 21 2.883 2.269 -0.686 29 HE3 LYS 21 HE1 LYS 21 3.181 3.913 -0.126 30 HZ1 LYS 21 HZ1 LYS 21 1.671 2.235 1.199 31 HZ2 LYS 21 HZ2 LYS 21 0.471 2.858 0.175 32 HZ3 LYS 21 HZ3 LYS 21 1.347 3.899 1.183 33 H ASP 22 HN ASP 22 -2.074 7.277 -4.302 34 HA ASP 22 HA ASP 22 -1.758 6.721 -7.103 35 HB2 ASP 22 HB2 ASP 22 -2.993 9.160 -5.794 36 HB3 ASP 22 HB1 ASP 22 -3.182 8.674 -7.474 37 H LEU 23 HN LEU 23 0.181 7.087 -7.961 38 HA LEU 23 HA LEU 23 1.719 9.435 -7.150 39 HB2 LEU 23 HB2 LEU 23 2.711 7.103 -7.256 40 HB3 LEU 23 HB1 LEU 23 2.561 7.206 -8.995 41 HG LEU 23 HG LEU 23 4.098 9.105 -9.034 42 HD11 LEU 23 HD11 LEU 23 4.313 8.657 -6.058 43 HD12 LEU 23 HD12 LEU 23 3.569 10.048 -6.847 44 HD13 LEU 23 HD13 LEU 23 5.302 9.763 -7.013 45 HD21 LEU 23 HD21 LEU 23 4.986 6.853 -9.265 46 HD22 LEU 23 HD22 LEU 23 5.147 6.722 -7.514 47 HD23 LEU 23 HD23 LEU 23 6.125 7.889 -8.405 48 H LEU 24 HN LEU 24 0.045 8.060 -9.862 49 HA LEU 24 HA LEU 24 0.492 10.533 -11.390 50 HB2 LEU 24 HB2 LEU 24 0.244 7.747 -12.539 51 HB3 LEU 24 HB1 LEU 24 0.463 9.226 -13.452 52 HG LEU 24 HG LEU 24 2.501 8.160 -11.501 53 HD11 LEU 24 HD11 LEU 24 3.738 7.404 -13.475 54 HD12 LEU 24 HD12 LEU 24 2.373 7.853 -14.497 55 HD13 LEU 24 HD13 LEU 24 2.196 6.565 -13.306 56 HD21 LEU 24 HD21 LEU 24 4.007 9.702 -12.669 57 HD22 LEU 24 HD22 LEU 24 2.656 10.551 -11.915 58 HD23 LEU 24 HD23 LEU 24 2.657 10.264 -13.656 59 H LYS 25 HN LYS 25 -1.344 10.949 -12.939 60 HA LYS 25 HA LYS 25 -3.818 9.592 -12.095 61 HB2 LYS 25 HB2 LYS 25 -3.460 12.583 -12.334 62 HB3 LYS 25 HB1 LYS 25 -4.992 11.770 -12.056 63 HG2 LYS 25 HG2 LYS 25 -4.260 10.993 -9.907 64 HG3 LYS 25 HG1 LYS 25 -2.632 11.609 -10.192 65 HD2 LYS 25 HD2 LYS 25 -3.580 13.898 -10.332 66 HD3 LYS 25 HD1 LYS 25 -5.158 13.232 -9.909 67 HE2 LYS 25 HE2 LYS 25 -2.701 12.928 -8.192 68 HE3 LYS 25 HE1 LYS 25 -3.862 14.239 -8.005 69 HZ1 LYS 25 HZ1 LYS 25 -5.543 12.741 -7.381 70 HZ2 LYS 25 HZ2 LYS 25 -4.171 12.248 -6.516 71 HZ3 LYS 25 HZ3 LYS 25 -4.661 11.386 -7.888 72 H GLY 26 HN GLY 26 -4.605 8.655 -13.856 73 HA2 GLY 26 HA2 GLY 26 -5.860 8.663 -15.792 74 HA3 GLY 26 HA1 GLY 26 -5.481 10.361 -15.996 75 H LEU 27 HN LEU 27 -2.688 8.481 -15.572 76 HA LEU 27 HA LEU 27 -1.914 9.036 -18.284 77 HB2 LEU 27 HB2 LEU 27 -0.538 8.040 -15.857 78 HB3 LEU 27 HB1 LEU 27 0.162 7.601 -17.404 79 HG LEU 27 HG LEU 27 0.244 10.032 -17.989 80 HD11 LEU 27 HD11 LEU 27 -0.505 10.404 -15.093 81 HD12 LEU 27 HD12 LEU 27 -1.494 10.835 -16.487 82 HD13 LEU 27 HD13 LEU 27 0.030 11.674 -16.195 83 HD21 LEU 27 HD21 LEU 27 2.190 10.514 -16.624 84 HD22 LEU 27 HD22 LEU 27 2.196 8.826 -17.131 85 HD23 LEU 27 HD23 LEU 27 1.728 9.250 -15.485 86 H ASP 28 HN ASP 28 -1.074 7.524 -19.766 87 HA ASP 28 HA ASP 28 -2.527 4.988 -19.728 88 HB2 ASP 28 HB2 ASP 28 -2.854 6.435 -21.682 89 HB3 ASP 28 HB1 ASP 28 -1.121 6.444 -21.984 90 H GLN 29 HN GLN 29 -1.318 3.172 -20.902 91 HA GLN 29 HA GLN 29 0.768 2.251 -19.339 92 HB2 GLN 29 HB2 GLN 29 -0.588 0.729 -20.565 93 HB3 GLN 29 HB1 GLN 29 -0.182 1.490 -22.094 94 HG2 GLN 29 HG2 GLN 29 2.206 0.575 -20.822 95 HG3 GLN 29 HG1 GLN 29 1.023 -0.735 -20.893 96 HE21 GLN 29 HE21 GLN 29 0.261 -1.420 -22.912 97 HE22 GLN 29 HE22 GLN 29 1.121 -1.076 -24.374 98 H GLU 30 HN GLU 30 0.936 3.796 -22.553 99 HA GLU 30 HA GLU 30 3.737 3.385 -22.813 100 HB2 GLU 30 HB2 GLU 30 3.613 4.954 -24.698 101 HB3 GLU 30 HB1 GLU 30 2.362 3.722 -24.780 102 HG2 GLU 30 HG2 GLU 30 0.699 5.280 -24.031 103 HG3 GLU 30 HG1 GLU 30 1.928 6.512 -23.740 104 H GLN 31 HN GLN 31 1.814 5.890 -21.357 105 HA GLN 31 HA GLN 31 3.960 7.790 -21.162 106 HB2 GLN 31 HB2 GLN 31 1.396 7.719 -19.566 107 HB3 GLN 31 HB1 GLN 31 2.425 9.113 -19.861 108 HG2 GLN 31 HG2 GLN 31 1.864 9.000 -22.250 109 HG3 GLN 31 HG1 GLN 31 0.799 7.633 -21.921 110 HE21 GLN 31 HE21 GLN 31 1.249 11.045 -21.677 111 HE22 GLN 31 HE22 GLN 31 -0.360 11.431 -21.162 112 H ALA 32 HN ALA 32 2.395 5.444 -19.051 113 HA ALA 32 HA ALA 32 3.953 6.031 -16.745 114 HB1 ALA 32 HB1 ALA 32 1.773 4.929 -16.598 115 HB2 ALA 32 HB2 ALA 32 3.034 3.959 -15.837 116 HB3 ALA 32 HB3 ALA 32 2.426 3.520 -17.433 117 H ASN 33 HN ASN 33 4.505 4.204 -19.595 118 HA ASN 33 HA ASN 33 6.448 2.386 -18.728 119 HB2 ASN 33 HB2 ASN 33 5.429 2.285 -20.955 120 HB3 ASN 33 HB1 ASN 33 6.205 3.801 -21.391 121 HD21 ASN 33 HD21 ASN 33 7.738 1.233 -19.540 122 HD22 ASN 33 HD22 ASN 33 8.910 0.822 -20.746 123 H GLU 34 HN GLU 34 6.766 5.737 -19.876 124 HA GLU 34 HA GLU 34 9.573 5.906 -19.582 125 HB2 GLU 34 HB2 GLU 34 7.456 8.058 -19.445 126 HB3 GLU 34 HB1 GLU 34 9.183 8.371 -19.512 127 HG2 GLU 34 HG2 GLU 34 9.301 7.317 -21.699 128 HG3 GLU 34 HG1 GLU 34 7.573 6.964 -21.629 129 H VAL 35 HN VAL 35 6.878 6.532 -17.416 130 HA VAL 35 HA VAL 35 8.356 7.747 -15.348 131 HB VAL 35 HB VAL 35 5.747 6.240 -15.098 132 HG11 VAL 35 HG11 VAL 35 7.010 8.342 -13.349 133 HG12 VAL 35 HG12 VAL 35 6.789 6.638 -12.951 134 HG13 VAL 35 HG13 VAL 35 5.385 7.688 -13.146 135 HG21 VAL 35 HG21 VAL 35 6.260 9.154 -15.680 136 HG22 VAL 35 HG22 VAL 35 4.681 8.437 -15.361 137 HG23 VAL 35 HG23 VAL 35 5.588 7.968 -16.799 138 H ILE 36 HN ILE 36 7.225 4.384 -15.770 139 HA ILE 36 HA ILE 36 8.261 3.458 -13.323 140 HB ILE 36 HB ILE 36 6.552 2.244 -14.681 141 HG12 ILE 36 HG12 ILE 36 8.995 0.602 -13.985 142 HG13 ILE 36 HG11 ILE 36 7.798 1.167 -12.824 143 HG21 ILE 36 HG21 ILE 36 7.541 2.435 -16.877 144 HG22 ILE 36 HG22 ILE 36 7.334 0.733 -16.464 145 HG23 ILE 36 HG23 ILE 36 8.931 1.476 -16.366 146 HD11 ILE 36 HD11 ILE 36 6.090 -0.174 -13.918 147 HD12 ILE 36 HD12 ILE 36 7.456 -1.171 -13.420 148 HD13 ILE 36 HD13 ILE 36 7.267 -0.717 -15.114 149 H ALA 37 HN ALA 37 9.734 3.918 -16.460 150 HA ALA 37 HA ALA 37 12.093 2.437 -16.058 151 HB1 ALA 37 HB1 ALA 37 11.766 4.981 -17.648 152 HB2 ALA 37 HB2 ALA 37 11.398 3.361 -18.239 153 HB3 ALA 37 HB3 ALA 37 13.057 3.792 -17.821 154 H VAL 38 HN VAL 38 11.184 5.740 -15.212 155 HA VAL 38 HA VAL 38 13.652 6.608 -14.195 156 HB VAL 38 HB VAL 38 10.861 7.425 -13.360 157 HG11 VAL 38 HG11 VAL 38 11.915 9.481 -12.529 158 HG12 VAL 38 HG12 VAL 38 13.503 8.802 -12.884 159 HG13 VAL 38 HG13 VAL 38 12.479 8.055 -11.657 160 HG21 VAL 38 HG21 VAL 38 11.237 9.332 -14.874 161 HG22 VAL 38 HG22 VAL 38 11.271 7.787 -15.725 162 HG23 VAL 38 HG23 VAL 38 12.779 8.622 -15.355 163 H LEU 39 HN LEU 39 10.927 4.958 -12.629 164 HA LEU 39 HA LEU 39 12.085 4.903 -10.040 165 HB2 LEU 39 HB2 LEU 39 9.896 3.326 -11.367 166 HB3 LEU 39 HB1 LEU 39 10.445 2.915 -9.756 167 HG LEU 39 HG LEU 39 8.482 4.247 -9.537 168 HD11 LEU 39 HD11 LEU 39 10.917 5.924 -8.961 169 HD12 LEU 39 HD12 LEU 39 10.209 4.700 -7.905 170 HD13 LEU 39 HD13 LEU 39 9.312 6.173 -8.273 171 HD21 LEU 39 HD21 LEU 39 8.457 5.299 -11.726 172 HD22 LEU 39 HD22 LEU 39 9.838 6.300 -11.278 173 HD23 LEU 39 HD23 LEU 39 8.292 6.509 -10.452 174 H GLN 40 HN GLN 40 12.015 2.593 -12.718 175 HA GLN 40 HA GLN 40 13.219 0.446 -11.359 176 HB2 GLN 40 HB2 GLN 40 11.918 0.346 -13.507 177 HB3 GLN 40 HB1 GLN 40 13.334 0.991 -14.324 178 HG2 GLN 40 HG2 GLN 40 14.630 -0.945 -13.672 179 HG3 GLN 40 HG1 GLN 40 13.255 -1.584 -12.771 180 HE21 GLN 40 HE21 GLN 40 11.453 -2.348 -13.899 181 HE22 GLN 40 HE22 GLN 40 11.558 -2.802 -15.570 182 H MET 41 HN MET 41 14.624 3.029 -13.360 183 HA MET 41 HA MET 41 17.269 1.971 -13.263 184 HB2 MET 41 HB2 MET 41 18.001 4.036 -14.238 185 HB3 MET 41 HB1 MET 41 16.483 3.583 -14.999 186 HG2 MET 41 HG2 MET 41 15.288 5.193 -13.644 187 HG3 MET 41 HG1 MET 41 16.773 5.605 -12.789 188 HE1 MET 41 HE1 MET 41 16.403 4.858 -16.640 189 HE2 MET 41 HE2 MET 41 16.085 6.474 -17.271 190 HE3 MET 41 HE3 MET 41 14.896 5.684 -16.237 191 H HIS 42 HN HIS 42 15.355 3.548 -10.966 192 HA HIS 42 HA HIS 42 17.687 4.491 -9.468 193 HB2 HIS 42 HB2 HIS 42 14.724 4.891 -9.024 194 HB3 HIS 42 HB1 HIS 42 15.954 5.425 -7.882 195 HD1 HIS 42 HD1 HIS 42 14.066 7.442 -9.273 196 HD2 HIS 42 HD2 HIS 42 17.841 6.440 -10.662 197 HE1 HIS 42 HE1 HIS 42 14.799 9.383 -10.691 198 HE2 HIS 42 HE2 HIS 42 17.183 8.857 -11.307 199 H ASN 43 HN ASN 43 16.058 1.711 -9.899 200 HA ASN 43 HA ASN 43 16.134 -0.301 -8.869 201 HB2 ASN 43 HB2 ASN 43 18.242 1.063 -7.182 202 HB3 ASN 43 HB1 ASN 43 17.918 -0.669 -7.173 203 HD21 ASN 43 HD21 ASN 43 19.286 1.984 -8.925 204 HD22 ASN 43 HD22 ASN 43 20.055 1.045 -10.162 205 H ILE 44 HN ILE 44 14.264 1.751 -7.909 206 HA ILE 44 HA ILE 44 13.962 1.031 -5.087 207 HB ILE 44 HB ILE 44 13.770 3.411 -5.621 208 HG12 ILE 44 HG12 ILE 44 11.132 2.161 -4.815 209 HG13 ILE 44 HG11 ILE 44 12.466 2.558 -3.737 210 HG21 ILE 44 HG21 ILE 44 11.456 2.581 -7.361 211 HG22 ILE 44 HG22 ILE 44 12.990 3.266 -7.899 212 HG23 ILE 44 HG23 ILE 44 11.872 4.245 -6.948 213 HD11 ILE 44 HD11 ILE 44 10.839 4.536 -5.317 214 HD12 ILE 44 HD12 ILE 44 12.155 4.922 -4.207 215 HD13 ILE 44 HD13 ILE 44 10.671 4.192 -3.596 216 H GLU 45 HN GLU 45 12.054 0.092 -4.295 217 HA GLU 45 HA GLU 45 10.871 -1.907 -5.859 218 HB2 GLU 45 HB2 GLU 45 11.011 -1.881 -3.356 219 HB3 GLU 45 HB1 GLU 45 9.747 -0.659 -3.343 220 HG2 GLU 45 HG2 GLU 45 8.758 -2.772 -2.880 221 HG3 GLU 45 HG1 GLU 45 8.253 -2.270 -4.492 222 H ALA 46 HN ALA 46 9.747 -1.403 -7.641 223 HA ALA 46 HA ALA 46 7.711 0.714 -7.452 224 HB1 ALA 46 HB1 ALA 46 7.925 0.980 -9.863 225 HB2 ALA 46 HB2 ALA 46 9.118 -0.319 -9.914 226 HB3 ALA 46 HB3 ALA 46 9.487 1.186 -9.072 227 H ASN 47 HN ASN 47 5.660 0.174 -7.650 228 HA ASN 47 HA ASN 47 4.997 -2.466 -8.789 229 HB2 ASN 47 HB2 ASN 47 3.589 -0.910 -6.605 230 HB3 ASN 47 HB1 ASN 47 2.922 -2.343 -7.376 231 HD21 ASN 47 HD21 ASN 47 5.271 -1.115 -5.161 232 HD22 ASN 47 HD22 ASN 47 5.740 -2.639 -4.492 233 H LYS 48 HN LYS 48 3.115 -2.590 -10.080 234 HA LYS 48 HA LYS 48 2.369 -0.008 -11.280 235 HB2 LYS 48 HB2 LYS 48 3.364 -1.577 -12.848 236 HB3 LYS 48 HB1 LYS 48 2.218 -2.822 -12.378 237 HG2 LYS 48 HG2 LYS 48 0.387 -1.500 -13.301 238 HG3 LYS 48 HG1 LYS 48 1.529 -0.232 -13.749 239 HD2 LYS 48 HD2 LYS 48 2.664 -1.738 -15.262 240 HD3 LYS 48 HD1 LYS 48 1.625 -3.073 -14.759 241 HE2 LYS 48 HE2 LYS 48 -0.317 -1.925 -15.661 242 HE3 LYS 48 HE1 LYS 48 0.684 -0.543 -16.104 243 HZ1 LYS 48 HZ1 LYS 48 0.195 -2.075 -17.966 244 HZ2 LYS 48 HZ2 LYS 48 1.082 -3.285 -17.171 245 HZ3 LYS 48 HZ3 LYS 48 1.852 -1.860 -17.683 246 H ILE 49 HN ILE 49 0.458 0.778 -10.683 247 HA ILE 49 HA ILE 49 -1.541 -1.077 -9.628 248 HB ILE 49 HB ILE 49 -2.750 1.060 -8.944 249 HG12 ILE 49 HG12 ILE 49 -0.026 2.251 -9.517 250 HG13 ILE 49 HG11 ILE 49 -1.504 2.615 -10.394 251 HG21 ILE 49 HG21 ILE 49 -0.074 0.398 -7.728 252 HG22 ILE 49 HG22 ILE 49 -1.617 -0.378 -7.367 253 HG23 ILE 49 HG23 ILE 49 -1.359 1.312 -6.936 254 HD11 ILE 49 HD11 ILE 49 -1.009 3.185 -7.482 255 HD12 ILE 49 HD12 ILE 49 -2.469 3.586 -8.388 256 HD13 ILE 49 HD13 ILE 49 -0.937 4.360 -8.795 257 H ASP 50 HN ASP 50 -3.026 -1.794 -10.903 258 HA ASP 50 HA ASP 50 -3.910 -0.166 -13.187 259 HB2 ASP 50 HB2 ASP 50 -2.975 -2.335 -13.827 260 HB3 ASP 50 HB1 ASP 50 -4.084 -3.160 -12.740 261 H SER 51 HN SER 51 -5.620 0.983 -12.577 262 HA SER 51 HA SER 51 -7.909 -0.396 -11.401 263 HB2 SER 51 HB2 SER 51 -6.714 2.136 -10.239 264 HB3 SER 51 HB1 SER 51 -8.221 1.384 -9.719 265 HG SER 51 HG SER 51 -6.912 -0.519 -9.249 266 H GLY 52 HN GLY 52 -9.886 0.496 -11.941 267 HA2 GLY 52 HA2 GLY 52 -9.987 1.833 -14.423 268 HA3 GLY 52 HA1 GLY 52 -11.355 1.531 -13.366 269 H LYS 53 HN LYS 53 -10.138 3.050 -11.141 270 HA LYS 53 HA LYS 53 -11.234 5.587 -11.748 271 HB2 LYS 53 HB2 LYS 53 -10.499 6.269 -9.549 272 HB3 LYS 53 HB1 LYS 53 -11.109 4.623 -9.452 273 HG2 LYS 53 HG2 LYS 53 -8.973 3.715 -9.208 274 HG3 LYS 53 HG1 LYS 53 -8.184 5.179 -9.795 275 HD2 LYS 53 HD2 LYS 53 -9.134 6.329 -7.735 276 HD3 LYS 53 HD1 LYS 53 -9.520 4.710 -7.144 277 HE2 LYS 53 HE2 LYS 53 -7.205 4.070 -7.223 278 HE3 LYS 53 HE1 LYS 53 -6.765 5.591 -7.995 279 HZ1 LYS 53 HZ1 LYS 53 -7.570 5.100 -5.202 280 HZ2 LYS 53 HZ2 LYS 53 -7.739 6.641 -5.881 281 HZ3 LYS 53 HZ3 LYS 53 -6.206 5.920 -5.790 282 H LEU 54 HN LEU 54 -8.005 4.316 -12.023 283 HA LEU 54 HA LEU 54 -6.927 7.051 -12.141 284 HB2 LEU 54 HB2 LEU 54 -6.292 5.490 -10.225 285 HB3 LEU 54 HB1 LEU 54 -5.385 4.576 -11.414 286 HG LEU 54 HG LEU 54 -4.011 6.570 -11.882 287 HD11 LEU 54 HD11 LEU 54 -5.542 7.798 -9.596 288 HD12 LEU 54 HD12 LEU 54 -5.678 8.263 -11.291 289 HD13 LEU 54 HD13 LEU 54 -4.160 8.511 -10.427 290 HD21 LEU 54 HD21 LEU 54 -3.266 4.928 -10.241 291 HD22 LEU 54 HD22 LEU 54 -4.143 5.786 -8.973 292 HD23 LEU 54 HD23 LEU 54 -2.774 6.556 -9.774 293 H GLY 55 HN GLY 55 -6.997 3.927 -13.705 294 HA2 GLY 55 HA2 GLY 55 -6.507 3.590 -15.993 295 HA3 GLY 55 HA1 GLY 55 -5.561 5.075 -15.983 296 H TYR 56 HN TYR 56 -3.446 4.768 -16.145 297 HA TYR 56 HA TYR 56 -2.287 2.400 -14.830 298 HB2 TYR 56 HB2 TYR 56 -1.412 3.686 -17.424 299 HB3 TYR 56 HB1 TYR 56 -0.532 2.407 -16.593 300 HD1 TYR 56 HD2 TYR 56 -2.164 0.321 -15.968 301 HD2 TYR 56 HD1 TYR 56 -2.688 3.025 -19.211 302 HE1 TYR 56 HE2 TYR 56 -3.502 -1.367 -17.152 303 HE2 TYR 56 HE1 TYR 56 -4.027 1.345 -20.401 304 HH TYR 56 HH TYR 56 -4.192 -1.231 -20.371 305 H SER 57 HN SER 57 -0.951 2.895 -13.244 306 HA SER 57 HA SER 57 0.753 5.236 -13.439 307 HB2 SER 57 HB2 SER 57 -1.210 4.870 -11.165 308 HB3 SER 57 HB1 SER 57 0.033 6.120 -11.257 309 HG SER 57 HG SER 57 -1.478 6.071 -13.503 310 H ILE 58 HN ILE 58 2.257 5.353 -11.548 311 HA ILE 58 HA ILE 58 3.161 2.644 -10.882 312 HB ILE 58 HB ILE 58 4.711 5.199 -10.428 313 HG12 ILE 58 HG12 ILE 58 4.035 5.124 -12.796 314 HG13 ILE 58 HG11 ILE 58 5.769 4.881 -12.613 315 HG21 ILE 58 HG21 ILE 58 6.653 3.718 -10.584 316 HG22 ILE 58 HG22 ILE 58 5.584 2.342 -10.850 317 HG23 ILE 58 HG23 ILE 58 5.546 3.204 -9.312 318 HD11 ILE 58 HD11 ILE 58 5.456 2.477 -12.923 319 HD12 ILE 58 HD12 ILE 58 4.837 3.398 -14.294 320 HD13 ILE 58 HD13 ILE 58 3.719 2.731 -13.103 321 H THR 59 HN THR 59 3.704 2.116 -8.711 322 HA THR 59 HA THR 59 3.236 4.150 -6.685 323 HB THR 59 HB THR 59 1.121 2.644 -7.097 324 HG1 THR 59 HG1 THR 59 1.099 4.033 -5.397 325 HG21 THR 59 HG21 THR 59 2.254 0.491 -6.987 326 HG22 THR 59 HG22 THR 59 1.092 0.643 -5.669 327 HG23 THR 59 HG23 THR 59 2.814 0.851 -5.354 328 H VAL 60 HN VAL 60 4.071 3.360 -4.534 329 HA VAL 60 HA VAL 60 6.326 1.511 -4.938 330 HB VAL 60 HB VAL 60 7.672 2.967 -3.407 331 HG11 VAL 60 HG11 VAL 60 6.738 4.214 -5.988 332 HG12 VAL 60 HG12 VAL 60 8.044 3.043 -5.799 333 HG13 VAL 60 HG13 VAL 60 8.203 4.662 -5.115 334 HG21 VAL 60 HG21 VAL 60 5.852 4.172 -2.333 335 HG22 VAL 60 HG22 VAL 60 5.416 4.919 -3.870 336 HG23 VAL 60 HG23 VAL 60 6.959 5.307 -3.110 337 H ALA 61 HN ALA 61 7.309 0.927 -2.737 338 HA ALA 61 HA ALA 61 5.339 -0.307 -1.133 339 HB1 ALA 61 HB1 ALA 61 8.256 0.205 -0.554 340 HB2 ALA 61 HB2 ALA 61 7.592 -1.207 -1.377 341 HB3 ALA 61 HB3 ALA 61 7.214 -0.917 0.322 342 H GLU 62 HN GLU 62 5.354 0.020 1.326 343 HA GLU 62 HA GLU 62 4.217 2.504 1.872 344 HB2 GLU 62 HB2 GLU 62 5.086 0.201 3.542 345 HB3 GLU 62 HB1 GLU 62 4.724 1.714 4.358 346 HG2 GLU 62 HG2 GLU 62 2.806 0.214 4.322 347 HG3 GLU 62 HG1 GLU 62 2.483 1.708 3.450 348 HA PRO 63 HA PRO 63 8.187 3.853 4.227 349 HB2 PRO 63 HB2 PRO 63 10.380 2.133 3.370 350 HB3 PRO 63 HB1 PRO 63 9.810 2.482 5.003 351 HG2 PRO 63 HG2 PRO 63 9.507 0.058 3.837 352 HG3 PRO 63 HG1 PRO 63 8.357 0.709 5.019 353 HD2 PRO 63 HD2 PRO 63 8.160 0.623 2.031 354 HD3 PRO 63 HD1 PRO 63 6.913 0.292 3.254 355 H ASP 64 HN ASP 64 8.332 2.749 0.960 356 HA ASP 64 HA ASP 64 10.515 4.534 0.244 357 HB2 ASP 64 HB2 ASP 64 8.950 2.484 -1.326 358 HB3 ASP 64 HB1 ASP 64 10.189 3.507 -2.044 359 H PHE 65 HN PHE 65 7.445 5.093 0.845 360 HA PHE 65 HA PHE 65 6.275 6.260 -1.382 361 HB2 PHE 65 HB2 PHE 65 5.019 5.859 0.636 362 HB3 PHE 65 HB1 PHE 65 6.022 6.986 1.540 363 HD1 PHE 65 HD1 PHE 65 3.614 6.795 -1.283 364 HD2 PHE 65 HD2 PHE 65 5.428 9.226 1.704 365 HE1 PHE 65 HE1 PHE 65 2.041 8.611 -1.812 366 HE2 PHE 65 HE2 PHE 65 3.855 11.046 1.181 367 HZ PHE 65 HZ PHE 65 2.158 10.737 -0.579 368 H THR 66 HN THR 66 8.610 7.631 0.869 369 HA THR 66 HA THR 66 8.247 10.322 0.059 370 HB THR 66 HB THR 66 9.182 9.762 2.252 371 HG1 THR 66 HG1 THR 66 9.810 11.766 1.785 372 HG21 THR 66 HG21 THR 66 11.605 8.817 0.710 373 HG22 THR 66 HG22 THR 66 10.516 7.807 1.661 374 HG23 THR 66 HG23 THR 66 11.521 9.016 2.459 375 H ALA 67 HN ALA 67 10.097 7.707 -1.269 376 HA ALA 67 HA ALA 67 11.992 9.380 -2.644 377 HB1 ALA 67 HB1 ALA 67 12.748 7.314 -3.686 378 HB2 ALA 67 HB2 ALA 67 11.353 6.459 -3.030 379 HB3 ALA 67 HB3 ALA 67 12.579 7.110 -1.942 380 H ALA 68 HN ALA 68 9.000 7.717 -3.433 381 HA ALA 68 HA ALA 68 9.009 7.851 -6.200 382 HB1 ALA 68 HB1 ALA 68 7.351 6.633 -4.860 383 HB2 ALA 68 HB2 ALA 68 6.600 7.663 -6.080 384 HB3 ALA 68 HB3 ALA 68 6.620 8.168 -4.390 385 H VAL 69 HN VAL 69 8.051 10.314 -3.861 386 HA VAL 69 HA VAL 69 6.817 12.137 -5.566 387 HB VAL 69 HB VAL 69 8.473 12.783 -3.122 388 HG11 VAL 69 HG11 VAL 69 7.006 14.745 -2.928 389 HG12 VAL 69 HG12 VAL 69 6.249 14.315 -4.462 390 HG13 VAL 69 HG13 VAL 69 7.953 14.764 -4.415 391 HG21 VAL 69 HG21 VAL 69 6.388 12.604 -1.863 392 HG22 VAL 69 HG22 VAL 69 6.792 11.074 -2.641 393 HG23 VAL 69 HG23 VAL 69 5.539 12.107 -3.327 394 H TYR 70 HN TYR 70 10.240 11.943 -4.611 395 HA TYR 70 HA TYR 70 10.981 14.256 -6.095 396 HB2 TYR 70 HB2 TYR 70 12.369 12.217 -4.474 397 HB3 TYR 70 HB1 TYR 70 13.341 12.987 -5.725 398 HD1 TYR 70 HD2 TYR 70 10.971 13.899 -2.976 399 HD2 TYR 70 HD1 TYR 70 14.427 14.942 -5.222 400 HE1 TYR 70 HE2 TYR 70 11.314 15.859 -1.529 401 HE2 TYR 70 HE1 TYR 70 14.778 16.902 -3.788 402 HH TYR 70 HH TYR 70 12.999 17.393 -0.866 403 H TRP 71 HN TRP 71 10.747 10.868 -6.866 404 HA TRP 71 HA TRP 71 12.415 11.031 -9.179 405 HB2 TRP 71 HB2 TRP 71 10.325 8.966 -8.474 406 HB3 TRP 71 HB1 TRP 71 11.546 8.805 -9.731 407 HD1 TRP 71 HD1 TRP 71 11.211 6.856 -7.154 408 HE1 TRP 71 HE1 TRP 71 13.250 6.472 -5.634 409 HE3 TRP 71 HE3 TRP 71 13.967 11.005 -8.384 410 HZ2 TRP 71 HZ2 TRP 71 15.681 7.749 -5.028 411 HZ3 TRP 71 HZ3 TRP 71 16.131 11.342 -7.273 412 HH2 TRP 71 HH2 TRP 71 16.971 9.746 -5.632 413 H ILE 72 HN ILE 72 8.963 11.341 -8.561 414 HA ILE 72 HA ILE 72 8.249 11.669 -11.314 415 HB ILE 72 HB ILE 72 6.759 12.566 -8.835 416 HG12 ILE 72 HG12 ILE 72 7.125 10.160 -8.846 417 HG13 ILE 72 HG11 ILE 72 5.434 10.506 -9.191 418 HG21 ILE 72 HG21 ILE 72 6.008 13.757 -10.820 419 HG22 ILE 72 HG22 ILE 72 4.781 12.608 -10.285 420 HG23 ILE 72 HG23 ILE 72 5.799 12.228 -11.676 421 HD11 ILE 72 HD11 ILE 72 5.844 10.129 -11.566 422 HD12 ILE 72 HD12 ILE 72 6.271 8.719 -10.597 423 HD13 ILE 72 HD13 ILE 72 7.536 9.780 -11.218 424 H LYS 73 HN LYS 73 9.226 13.794 -8.709 425 HA LYS 73 HA LYS 73 8.729 16.284 -9.889 426 HB2 LYS 73 HB2 LYS 73 9.422 15.921 -7.527 427 HB3 LYS 73 HB1 LYS 73 11.037 15.512 -8.086 428 HG2 LYS 73 HG2 LYS 73 11.132 17.821 -9.107 429 HG3 LYS 73 HG1 LYS 73 9.651 18.175 -8.213 430 HD2 LYS 73 HD2 LYS 73 12.262 17.267 -6.997 431 HD3 LYS 73 HD1 LYS 73 11.660 18.923 -7.007 432 HE2 LYS 73 HE2 LYS 73 10.152 16.629 -5.771 433 HE3 LYS 73 HE1 LYS 73 11.297 17.622 -4.873 434 HZ1 LYS 73 HZ1 LYS 73 9.017 18.375 -4.578 435 HZ2 LYS 73 HZ2 LYS 73 8.857 18.630 -6.249 436 HZ3 LYS 73 HZ3 LYS 73 9.953 19.561 -5.346 437 H THR 74 HN THR 74 11.090 13.875 -10.587 438 HA THR 74 HA THR 74 12.783 15.710 -12.091 439 HB THR 74 HB THR 74 13.141 12.727 -11.724 440 HG1 THR 74 HG1 THR 74 13.147 13.619 -9.668 441 HG21 THR 74 HG21 THR 74 15.145 14.911 -12.319 442 HG22 THR 74 HG22 THR 74 14.486 13.793 -13.514 443 HG23 THR 74 HG23 THR 74 15.480 13.184 -12.190 444 H TYR 75 HN TYR 75 10.054 13.849 -12.635 445 HA TYR 75 HA TYR 75 10.697 12.877 -15.266 446 HB2 TYR 75 HB2 TYR 75 9.101 11.670 -13.857 447 HB3 TYR 75 HB1 TYR 75 8.044 13.075 -13.816 448 HD1 TYR 75 HD1 TYR 75 9.572 10.632 -16.179 449 HD2 TYR 75 HD2 TYR 75 6.340 13.287 -15.394 450 HE1 TYR 75 HE1 TYR 75 8.402 9.788 -18.171 451 HE2 TYR 75 HE2 TYR 75 5.162 12.453 -17.384 452 HH TYR 75 HH TYR 75 6.066 9.638 -19.018 453 H GLN 76 HN GLN 76 8.748 15.514 -13.930 454 HA GLN 76 HA GLN 76 8.381 16.597 -16.625 455 HB2 GLN 76 HB2 GLN 76 6.413 16.391 -15.090 456 HB3 GLN 76 HB1 GLN 76 7.183 17.546 -14.013 457 HG2 GLN 76 HG2 GLN 76 5.549 18.706 -15.291 458 HG3 GLN 76 HG1 GLN 76 7.138 19.211 -15.859 459 HE21 GLN 76 HE21 GLN 76 7.787 18.677 -17.938 460 HE22 GLN 76 HE22 GLN 76 6.703 18.007 -19.112 Start of MODEL 6 1 H1 LYS 19 HT1 LYS 19 0.924 0.292 1.611 2 H2 LYS 19 HT2 LYS 19 2.228 -0.782 1.474 3 H3 LYS 19 HT3 LYS 19 0.692 -1.225 0.898 4 HA LYS 19 HA LYS 19 2.301 1.021 -0.165 5 HB2 LYS 19 HB2 LYS 19 1.831 -1.154 -2.025 6 HB3 LYS 19 HB1 LYS 19 3.341 -0.371 -1.589 7 HG2 LYS 19 HG2 LYS 19 3.755 -2.550 -1.004 8 HG3 LYS 19 HG1 LYS 19 3.190 -1.886 0.531 9 HD2 LYS 19 HD2 LYS 19 2.100 -3.990 0.188 10 HD3 LYS 19 HD1 LYS 19 0.903 -2.714 -0.042 11 HE2 LYS 19 HE2 LYS 19 1.485 -2.888 -2.536 12 HE3 LYS 19 HE1 LYS 19 2.257 -4.416 -2.114 13 HZ1 LYS 19 HZ1 LYS 19 0.064 -4.933 -2.764 14 HZ2 LYS 19 HZ2 LYS 19 -0.598 -3.678 -1.836 15 HZ3 LYS 19 HZ3 LYS 19 0.068 -5.035 -1.070 16 H ASP 20 HN ASP 20 1.212 0.332 -2.823 17 HA ASP 20 HA ASP 20 -0.609 0.572 -4.157 18 HB2 ASP 20 HB2 ASP 20 -2.217 0.150 -1.623 19 HB3 ASP 20 HB1 ASP 20 -2.876 0.174 -3.255 20 H LYS 21 HN LYS 21 0.719 2.763 -2.831 21 HA LYS 21 HA LYS 21 -1.255 4.754 -2.199 22 HB2 LYS 21 HB2 LYS 21 1.702 4.992 -2.800 23 HB3 LYS 21 HB1 LYS 21 0.688 6.317 -2.251 24 HG2 LYS 21 HG2 LYS 21 1.110 3.788 -0.677 25 HG3 LYS 21 HG1 LYS 21 2.100 5.235 -0.491 26 HD2 LYS 21 HD2 LYS 21 0.042 6.517 0.053 27 HD3 LYS 21 HD1 LYS 21 -0.873 5.007 -0.017 28 HE2 LYS 21 HE2 LYS 21 0.458 4.089 1.796 29 HE3 LYS 21 HE1 LYS 21 1.454 5.543 1.829 30 HZ1 LYS 21 HZ1 LYS 21 -0.473 6.819 2.508 31 HZ2 LYS 21 HZ2 LYS 21 -0.215 5.537 3.583 32 HZ3 LYS 21 HZ3 LYS 21 -1.458 5.440 2.434 33 H ASP 22 HN ASP 22 -2.239 6.125 -3.569 34 HA ASP 22 HA ASP 22 -2.054 5.684 -6.381 35 HB2 ASP 22 HB2 ASP 22 -3.363 8.060 -5.043 36 HB3 ASP 22 HB1 ASP 22 -3.747 7.368 -6.613 37 H LEU 23 HN LEU 23 -0.240 6.285 -7.419 38 HA LEU 23 HA LEU 23 1.165 8.690 -6.556 39 HB2 LEU 23 HB2 LEU 23 2.348 6.495 -6.905 40 HB3 LEU 23 HB1 LEU 23 2.015 6.660 -8.618 41 HG LEU 23 HG LEU 23 3.347 8.737 -8.674 42 HD11 LEU 23 HD11 LEU 23 3.037 9.471 -6.379 43 HD12 LEU 23 HD12 LEU 23 4.755 9.308 -6.741 44 HD13 LEU 23 HD13 LEU 23 3.934 8.073 -5.787 45 HD21 LEU 23 HD21 LEU 23 4.404 6.611 -9.213 46 HD22 LEU 23 HD22 LEU 23 4.780 6.351 -7.511 47 HD23 LEU 23 HD23 LEU 23 5.542 7.678 -8.388 48 H LEU 24 HN LEU 24 -0.438 7.349 -9.381 49 HA LEU 24 HA LEU 24 -0.217 9.975 -10.693 50 HB2 LEU 24 HB2 LEU 24 -0.303 7.249 -12.002 51 HB3 LEU 24 HB1 LEU 24 -0.293 8.782 -12.853 52 HG LEU 24 HG LEU 24 1.953 7.807 -11.086 53 HD11 LEU 24 HD11 LEU 24 3.147 7.374 -13.175 54 HD12 LEU 24 HD12 LEU 24 1.696 7.786 -14.087 55 HD13 LEU 24 HD13 LEU 24 1.702 6.372 -13.034 56 HD21 LEU 24 HD21 LEU 24 3.221 9.610 -12.146 57 HD22 LEU 24 HD22 LEU 24 1.822 10.238 -11.275 58 HD23 LEU 24 HD23 LEU 24 1.782 10.105 -13.034 59 H LYS 25 HN LYS 25 -2.078 10.450 -12.158 60 HA LYS 25 HA LYS 25 -4.503 9.008 -11.314 61 HB2 LYS 25 HB2 LYS 25 -4.226 11.977 -11.818 62 HB3 LYS 25 HB1 LYS 25 -5.748 11.149 -11.524 63 HG2 LYS 25 HG2 LYS 25 -3.449 11.423 -9.602 64 HG3 LYS 25 HG1 LYS 25 -5.004 12.248 -9.518 65 HD2 LYS 25 HD2 LYS 25 -4.543 9.277 -9.278 66 HD3 LYS 25 HD1 LYS 25 -4.928 10.380 -7.958 67 HE2 LYS 25 HE2 LYS 25 -6.700 9.758 -10.320 68 HE3 LYS 25 HE1 LYS 25 -6.892 9.115 -8.692 69 HZ1 LYS 25 HZ1 LYS 25 -7.311 11.886 -9.638 70 HZ2 LYS 25 HZ2 LYS 25 -7.054 11.551 -7.997 71 HZ3 LYS 25 HZ3 LYS 25 -8.382 10.874 -8.801 72 H GLY 26 HN GLY 26 -5.263 7.913 -12.971 73 HA2 GLY 26 HA2 GLY 26 -6.123 7.433 -15.032 74 HA3 GLY 26 HA1 GLY 26 -6.427 9.155 -15.162 75 H LEU 27 HN LEU 27 -3.382 7.322 -15.070 76 HA LEU 27 HA LEU 27 -2.727 8.534 -17.671 77 HB2 LEU 27 HB2 LEU 27 -1.310 9.226 -15.721 78 HB3 LEU 27 HB1 LEU 27 -0.800 7.557 -15.559 79 HG LEU 27 HG LEU 27 0.179 7.663 -17.835 80 HD11 LEU 27 HD11 LEU 27 -1.246 9.400 -18.764 81 HD12 LEU 27 HD12 LEU 27 0.455 9.846 -18.903 82 HD13 LEU 27 HD13 LEU 27 -0.551 10.581 -17.654 83 HD21 LEU 27 HD21 LEU 27 2.076 9.115 -17.231 84 HD22 LEU 27 HD22 LEU 27 1.594 8.050 -15.911 85 HD23 LEU 27 HD23 LEU 27 1.134 9.752 -15.883 86 H ASP 28 HN ASP 28 -2.442 7.189 -19.340 87 HA ASP 28 HA ASP 28 -2.700 4.349 -18.931 88 HB2 ASP 28 HB2 ASP 28 -3.762 5.482 -20.851 89 HB3 ASP 28 HB1 ASP 28 -2.170 5.900 -21.476 90 H GLN 29 HN GLN 29 -1.191 2.787 -19.893 91 HA GLN 29 HA GLN 29 1.293 3.057 -18.642 92 HB2 GLN 29 HB2 GLN 29 0.189 0.897 -19.014 93 HB3 GLN 29 HB1 GLN 29 0.474 1.051 -20.742 94 HG2 GLN 29 HG2 GLN 29 2.888 1.024 -20.341 95 HG3 GLN 29 HG1 GLN 29 2.592 0.856 -18.612 96 HE21 GLN 29 HE21 GLN 29 4.002 -0.903 -20.485 97 HE22 GLN 29 HE22 GLN 29 3.217 -2.441 -20.372 98 H GLU 30 HN GLU 30 0.343 3.702 -21.963 99 HA GLU 30 HA GLU 30 2.871 3.638 -23.157 100 HB2 GLU 30 HB2 GLU 30 0.475 5.355 -23.813 101 HB3 GLU 30 HB1 GLU 30 1.909 5.245 -24.826 102 HG2 GLU 30 HG2 GLU 30 1.521 2.823 -25.056 103 HG3 GLU 30 HG1 GLU 30 0.040 2.997 -24.117 104 H GLN 31 HN GLN 31 1.220 6.266 -21.453 105 HA GLN 31 HA GLN 31 3.533 7.993 -21.763 106 HB2 GLN 31 HB2 GLN 31 0.909 8.393 -20.324 107 HB3 GLN 31 HB1 GLN 31 2.182 9.604 -20.418 108 HG2 GLN 31 HG2 GLN 31 0.718 8.417 -22.768 109 HG3 GLN 31 HG1 GLN 31 0.418 10.003 -22.057 110 HE21 GLN 31 HE21 GLN 31 1.265 9.246 -24.771 111 HE22 GLN 31 HE22 GLN 31 2.748 10.100 -25.053 112 H ALA 32 HN ALA 32 2.116 5.882 -19.407 113 HA ALA 32 HA ALA 32 3.544 6.756 -17.136 114 HB1 ALA 32 HB1 ALA 32 1.578 5.280 -17.033 115 HB2 ALA 32 HB2 ALA 32 2.956 4.629 -16.146 116 HB3 ALA 32 HB3 ALA 32 2.540 3.976 -17.730 117 H ASN 33 HN ASN 33 4.490 4.972 -19.915 118 HA ASN 33 HA ASN 33 6.699 3.544 -19.042 119 HB2 ASN 33 HB2 ASN 33 5.862 3.394 -21.330 120 HB3 ASN 33 HB1 ASN 33 6.319 5.064 -21.637 121 HD21 ASN 33 HD21 ASN 33 8.466 5.570 -22.023 122 HD22 ASN 33 HD22 ASN 33 9.664 4.353 -22.330 123 H GLU 34 HN GLU 34 6.376 6.969 -19.772 124 HA GLU 34 HA GLU 34 9.148 7.588 -19.519 125 HB2 GLU 34 HB2 GLU 34 6.738 9.400 -19.295 126 HB3 GLU 34 HB1 GLU 34 8.401 9.919 -19.539 127 HG2 GLU 34 HG2 GLU 34 6.757 8.279 -21.454 128 HG3 GLU 34 HG1 GLU 34 7.142 9.993 -21.611 129 H VAL 35 HN VAL 35 6.578 7.096 -17.323 130 HA VAL 35 HA VAL 35 7.801 8.612 -15.172 131 HB VAL 35 HB VAL 35 5.311 6.898 -15.174 132 HG11 VAL 35 HG11 VAL 35 6.315 8.870 -13.124 133 HG12 VAL 35 HG12 VAL 35 6.284 7.115 -12.945 134 HG13 VAL 35 HG13 VAL 35 4.773 8.017 -13.071 135 HG21 VAL 35 HG21 VAL 35 4.102 9.038 -15.209 136 HG22 VAL 35 HG22 VAL 35 5.089 8.811 -16.654 137 HG23 VAL 35 HG23 VAL 35 5.638 9.890 -15.372 138 H ILE 36 HN ILE 36 6.911 5.226 -15.841 139 HA ILE 36 HA ILE 36 7.848 4.148 -13.434 140 HB ILE 36 HB ILE 36 6.351 2.930 -14.953 141 HG12 ILE 36 HG12 ILE 36 8.945 1.455 -14.459 142 HG13 ILE 36 HG11 ILE 36 7.673 1.695 -13.267 143 HG21 ILE 36 HG21 ILE 36 8.777 2.589 -16.710 144 HG22 ILE 36 HG22 ILE 36 7.362 3.574 -17.078 145 HG23 ILE 36 HG23 ILE 36 7.207 1.822 -16.953 146 HD11 ILE 36 HD11 ILE 36 7.433 0.133 -15.829 147 HD12 ILE 36 HD12 ILE 36 6.141 0.384 -14.655 148 HD13 ILE 36 HD13 ILE 36 7.577 -0.536 -14.204 149 H ALA 37 HN ALA 37 9.545 5.103 -16.297 150 HA ALA 37 HA ALA 37 11.887 3.602 -16.066 151 HB1 ALA 37 HB1 ALA 37 11.329 4.927 -18.038 152 HB2 ALA 37 HB2 ALA 37 12.935 5.331 -17.429 153 HB3 ALA 37 HB3 ALA 37 11.575 6.410 -17.117 154 H VAL 38 HN VAL 38 10.943 6.629 -14.478 155 HA VAL 38 HA VAL 38 13.560 7.108 -13.430 156 HB VAL 38 HB VAL 38 11.789 8.885 -13.855 157 HG11 VAL 38 HG11 VAL 38 9.915 7.845 -12.721 158 HG12 VAL 38 HG12 VAL 38 10.281 9.415 -12.003 159 HG13 VAL 38 HG13 VAL 38 10.774 7.931 -11.185 160 HG21 VAL 38 HG21 VAL 38 13.882 9.376 -12.732 161 HG22 VAL 38 HG22 VAL 38 13.199 8.854 -11.191 162 HG23 VAL 38 HG23 VAL 38 12.563 10.287 -11.997 163 H LEU 39 HN LEU 39 10.894 5.184 -12.439 164 HA LEU 39 HA LEU 39 11.811 4.936 -9.706 165 HB2 LEU 39 HB2 LEU 39 9.712 3.449 -11.283 166 HB3 LEU 39 HB1 LEU 39 10.133 3.032 -9.637 167 HG LEU 39 HG LEU 39 8.174 4.303 -9.466 168 HD11 LEU 39 HD11 LEU 39 9.839 4.977 -7.852 169 HD12 LEU 39 HD12 LEU 39 8.835 6.351 -8.316 170 HD13 LEU 39 HD13 LEU 39 10.464 6.188 -8.972 171 HD21 LEU 39 HD21 LEU 39 8.121 5.188 -11.733 172 HD22 LEU 39 HD22 LEU 39 9.393 6.340 -11.322 173 HD23 LEU 39 HD23 LEU 39 7.815 6.454 -10.543 174 H GLN 40 HN GLN 40 11.562 2.756 -12.499 175 HA GLN 40 HA GLN 40 12.808 0.568 -11.258 176 HB2 GLN 40 HB2 GLN 40 11.327 0.523 -13.285 177 HB3 GLN 40 HB1 GLN 40 12.687 1.128 -14.220 178 HG2 GLN 40 HG2 GLN 40 13.973 -0.872 -13.607 179 HG3 GLN 40 HG1 GLN 40 12.571 -1.483 -12.728 180 HE21 GLN 40 HE21 GLN 40 12.321 -3.282 -13.995 181 HE22 GLN 40 HE22 GLN 40 11.762 -3.203 -15.637 182 H MET 41 HN MET 41 14.123 3.085 -13.382 183 HA MET 41 HA MET 41 16.651 1.888 -13.757 184 HB2 MET 41 HB2 MET 41 15.815 3.648 -15.227 185 HB3 MET 41 HB1 MET 41 15.865 4.803 -13.903 186 HG2 MET 41 HG2 MET 41 18.321 4.470 -13.781 187 HG3 MET 41 HG1 MET 41 18.210 3.447 -15.212 188 HE1 MET 41 HE1 MET 41 20.064 5.018 -16.328 189 HE2 MET 41 HE2 MET 41 20.080 6.060 -14.904 190 HE3 MET 41 HE3 MET 41 19.881 6.763 -16.509 191 H HIS 42 HN HIS 42 15.345 3.734 -11.132 192 HA HIS 42 HA HIS 42 18.025 4.232 -10.063 193 HB2 HIS 42 HB2 HIS 42 15.321 5.273 -9.203 194 HB3 HIS 42 HB1 HIS 42 16.826 5.628 -8.361 195 HD1 HIS 42 HD1 HIS 42 17.994 7.705 -9.106 196 HD2 HIS 42 HD2 HIS 42 15.445 6.199 -12.034 197 HE1 HIS 42 HE1 HIS 42 18.040 9.379 -10.984 198 HE2 HIS 42 HE2 HIS 42 16.573 8.398 -12.789 199 H ASN 43 HN ASN 43 15.985 1.773 -10.063 200 HA ASN 43 HA ASN 43 15.886 -0.160 -8.900 201 HB2 ASN 43 HB2 ASN 43 18.304 1.024 -7.547 202 HB3 ASN 43 HB1 ASN 43 17.718 -0.605 -7.228 203 HD21 ASN 43 HD21 ASN 43 16.875 -1.040 -9.980 204 HD22 ASN 43 HD22 ASN 43 18.324 -1.285 -10.889 205 H ILE 44 HN ILE 44 14.450 2.264 -7.907 206 HA ILE 44 HA ILE 44 14.152 1.663 -5.085 207 HB ILE 44 HB ILE 44 13.844 3.998 -5.901 208 HG12 ILE 44 HG12 ILE 44 11.379 2.748 -4.658 209 HG13 ILE 44 HG11 ILE 44 12.813 3.278 -3.787 210 HG21 ILE 44 HG21 ILE 44 11.364 2.896 -7.214 211 HG22 ILE 44 HG22 ILE 44 12.791 3.518 -8.041 212 HG23 ILE 44 HG23 ILE 44 11.783 4.604 -7.082 213 HD11 ILE 44 HD11 ILE 44 10.935 5.052 -5.330 214 HD12 ILE 44 HD12 ILE 44 12.364 5.579 -4.441 215 HD13 ILE 44 HD13 ILE 44 10.997 4.875 -3.576 216 H GLU 45 HN GLU 45 12.204 0.779 -4.185 217 HA GLU 45 HA GLU 45 11.197 -1.486 -5.429 218 HB2 GLU 45 HB2 GLU 45 11.054 -1.122 -3.020 219 HB3 GLU 45 HB1 GLU 45 9.947 0.221 -3.271 220 HG2 GLU 45 HG2 GLU 45 8.687 -1.665 -2.565 221 HG3 GLU 45 HG1 GLU 45 8.327 -1.370 -4.265 222 H ALA 46 HN ALA 46 10.305 -1.327 -7.416 223 HA ALA 46 HA ALA 46 8.173 0.665 -7.816 224 HB1 ALA 46 HB1 ALA 46 10.141 0.960 -9.265 225 HB2 ALA 46 HB2 ALA 46 8.687 0.573 -10.186 226 HB3 ALA 46 HB3 ALA 46 9.904 -0.669 -9.896 227 H ASN 47 HN ASN 47 6.246 -0.198 -7.675 228 HA ASN 47 HA ASN 47 5.793 -2.852 -8.869 229 HB2 ASN 47 HB2 ASN 47 5.658 -2.551 -6.259 230 HB3 ASN 47 HB1 ASN 47 4.112 -1.793 -6.618 231 HD21 ASN 47 HD21 ASN 47 4.691 -4.259 -5.171 232 HD22 ASN 47 HD22 ASN 47 3.836 -5.517 -5.999 233 H LYS 48 HN LYS 48 3.605 -3.141 -9.733 234 HA LYS 48 HA LYS 48 2.601 -0.585 -10.802 235 HB2 LYS 48 HB2 LYS 48 3.641 -1.957 -12.514 236 HB3 LYS 48 HB1 LYS 48 2.659 -3.338 -12.051 237 HG2 LYS 48 HG2 LYS 48 0.651 -2.182 -12.802 238 HG3 LYS 48 HG1 LYS 48 1.620 -0.770 -13.233 239 HD2 LYS 48 HD2 LYS 48 2.783 -1.998 -14.927 240 HD3 LYS 48 HD1 LYS 48 2.055 -3.517 -14.400 241 HE2 LYS 48 HE2 LYS 48 0.566 -1.168 -15.571 242 HE3 LYS 48 HE1 LYS 48 1.006 -2.638 -16.440 243 HZ1 LYS 48 HZ1 LYS 48 -0.868 -2.399 -14.151 244 HZ2 LYS 48 HZ2 LYS 48 -0.319 -3.884 -14.765 245 HZ3 LYS 48 HZ3 LYS 48 -1.242 -2.851 -15.741 246 H ILE 49 HN ILE 49 0.743 -0.028 -9.875 247 HA ILE 49 HA ILE 49 -1.057 -2.145 -8.945 248 HB ILE 49 HB ILE 49 -2.302 -0.183 -7.867 249 HG12 ILE 49 HG12 ILE 49 0.356 1.177 -8.385 250 HG13 ILE 49 HG11 ILE 49 -1.174 1.605 -9.147 251 HG21 ILE 49 HG21 ILE 49 -0.767 -0.182 -5.939 252 HG22 ILE 49 HG22 ILE 49 0.451 -0.969 -6.944 253 HG23 ILE 49 HG23 ILE 49 -1.067 -1.794 -6.589 254 HD11 ILE 49 HD11 ILE 49 -0.598 3.121 -7.326 255 HD12 ILE 49 HD12 ILE 49 -0.588 1.764 -6.199 256 HD13 ILE 49 HD13 ILE 49 -2.089 2.240 -6.994 257 H ASP 50 HN ASP 50 -2.885 -2.591 -9.936 258 HA ASP 50 HA ASP 50 -3.976 -0.626 -11.832 259 HB2 ASP 50 HB2 ASP 50 -3.410 -2.951 -12.694 260 HB3 ASP 50 HB1 ASP 50 -4.707 -3.554 -11.666 261 H SER 51 HN SER 51 -5.950 0.223 -11.440 262 HA SER 51 HA SER 51 -7.720 -1.004 -9.488 263 HB2 SER 51 HB2 SER 51 -6.673 1.817 -9.130 264 HB3 SER 51 HB1 SER 51 -7.913 1.046 -8.144 265 HG SER 51 HG SER 51 -5.820 -0.571 -8.168 266 H GLY 52 HN GLY 52 -9.864 -0.179 -9.578 267 HA2 GLY 52 HA2 GLY 52 -10.710 0.438 -12.195 268 HA3 GLY 52 HA1 GLY 52 -11.719 0.471 -10.758 269 H LYS 53 HN LYS 53 -10.353 2.485 -9.318 270 HA LYS 53 HA LYS 53 -11.445 4.794 -10.679 271 HB2 LYS 53 HB2 LYS 53 -11.202 5.945 -8.631 272 HB3 LYS 53 HB1 LYS 53 -11.614 4.299 -8.167 273 HG2 LYS 53 HG2 LYS 53 -9.341 3.816 -7.596 274 HG3 LYS 53 HG1 LYS 53 -8.796 5.354 -8.263 275 HD2 LYS 53 HD2 LYS 53 -10.319 6.453 -6.536 276 HD3 LYS 53 HD1 LYS 53 -10.413 4.862 -5.777 277 HE2 LYS 53 HE2 LYS 53 -7.847 6.339 -6.348 278 HE3 LYS 53 HE1 LYS 53 -8.680 6.351 -4.797 279 HZ1 LYS 53 HZ1 LYS 53 -6.775 4.721 -5.107 280 HZ2 LYS 53 HZ2 LYS 53 -7.840 3.814 -6.063 281 HZ3 LYS 53 HZ3 LYS 53 -8.211 4.116 -4.438 282 H LEU 54 HN LEU 54 -8.480 3.279 -10.764 283 HA LEU 54 HA LEU 54 -6.973 5.806 -10.823 284 HB2 LEU 54 HB2 LEU 54 -6.593 4.081 -8.965 285 HB3 LEU 54 HB1 LEU 54 -5.822 3.106 -10.199 286 HG LEU 54 HG LEU 54 -4.175 4.901 -10.574 287 HD11 LEU 54 HD11 LEU 54 -4.058 6.777 -9.030 288 HD12 LEU 54 HD12 LEU 54 -5.532 6.230 -8.230 289 HD13 LEU 54 HD13 LEU 54 -5.591 6.787 -9.902 290 HD21 LEU 54 HD21 LEU 54 -4.429 4.034 -7.694 291 HD22 LEU 54 HD22 LEU 54 -2.956 4.601 -8.481 292 HD23 LEU 54 HD23 LEU 54 -3.705 3.089 -8.996 293 H GLY 55 HN GLY 55 -7.031 2.509 -12.192 294 HA2 GLY 55 HA2 GLY 55 -6.634 1.950 -14.437 295 HA3 GLY 55 HA1 GLY 55 -6.019 3.574 -14.714 296 H TYR 56 HN TYR 56 -3.882 3.903 -14.706 297 HA TYR 56 HA TYR 56 -2.166 1.667 -13.852 298 HB2 TYR 56 HB2 TYR 56 -1.852 3.593 -16.153 299 HB3 TYR 56 HB1 TYR 56 -0.519 2.617 -15.550 300 HD1 TYR 56 HD1 TYR 56 -3.834 2.472 -17.189 301 HD2 TYR 56 HD2 TYR 56 -0.322 0.332 -16.112 302 HE1 TYR 56 HE1 TYR 56 -4.525 0.614 -18.645 303 HE2 TYR 56 HE2 TYR 56 -1.002 -1.528 -17.560 304 HH TYR 56 HH TYR 56 -3.453 -1.261 -19.860 305 H SER 57 HN SER 57 -0.926 2.123 -12.158 306 HA SER 57 HA SER 57 0.453 4.668 -12.061 307 HB2 SER 57 HB2 SER 57 -1.318 3.722 -9.798 308 HB3 SER 57 HB1 SER 57 -0.119 5.009 -9.649 309 HG SER 57 HG SER 57 -1.806 5.314 -11.791 310 H ILE 58 HN ILE 58 2.191 4.688 -10.489 311 HA ILE 58 HA ILE 58 3.342 2.012 -10.140 312 HB ILE 58 HB ILE 58 4.769 4.669 -9.879 313 HG12 ILE 58 HG12 ILE 58 3.801 4.456 -12.143 314 HG13 ILE 58 HG11 ILE 58 5.557 4.373 -12.173 315 HG21 ILE 58 HG21 ILE 58 5.806 1.876 -10.356 316 HG22 ILE 58 HG22 ILE 58 5.858 2.752 -8.826 317 HG23 ILE 58 HG23 ILE 58 6.783 3.337 -10.209 318 HD11 ILE 58 HD11 ILE 58 3.659 2.045 -12.367 319 HD12 ILE 58 HD12 ILE 58 5.419 1.933 -12.360 320 HD13 ILE 58 HD13 ILE 58 4.593 2.751 -13.686 321 H THR 59 HN THR 59 3.576 1.203 -8.116 322 HA THR 59 HA THR 59 3.318 3.118 -5.894 323 HB THR 59 HB THR 59 1.407 1.548 -5.942 324 HG1 THR 59 HG1 THR 59 3.289 1.405 -3.817 325 HG21 THR 59 HG21 THR 59 1.761 -0.822 -5.452 326 HG22 THR 59 HG22 THR 59 3.507 -0.582 -5.520 327 HG23 THR 59 HG23 THR 59 2.530 -0.370 -6.973 328 H VAL 60 HN VAL 60 4.756 3.012 -4.271 329 HA VAL 60 HA VAL 60 6.973 1.105 -4.568 330 HB VAL 60 HB VAL 60 8.379 2.717 -3.391 331 HG11 VAL 60 HG11 VAL 60 8.522 4.450 -5.124 332 HG12 VAL 60 HG12 VAL 60 6.954 3.939 -5.752 333 HG13 VAL 60 HG13 VAL 60 8.331 2.838 -5.812 334 HG21 VAL 60 HG21 VAL 60 7.591 4.982 -2.912 335 HG22 VAL 60 HG22 VAL 60 6.666 3.778 -2.015 336 HG23 VAL 60 HG23 VAL 60 5.972 4.535 -3.449 337 H ALA 61 HN ALA 61 8.074 0.720 -2.351 338 HA ALA 61 HA ALA 61 6.258 -0.358 -0.507 339 HB1 ALA 61 HB1 ALA 61 9.113 0.483 -0.018 340 HB2 ALA 61 HB2 ALA 61 8.599 -1.073 -0.667 341 HB3 ALA 61 HB3 ALA 61 8.163 -0.619 0.981 342 H GLU 62 HN GLU 62 5.786 0.353 1.664 343 HA GLU 62 HA GLU 62 4.600 2.845 1.663 344 HB2 GLU 62 HB2 GLU 62 4.034 0.899 3.127 345 HB3 GLU 62 HB1 GLU 62 5.394 1.338 4.148 346 HG2 GLU 62 HG2 GLU 62 4.380 3.446 4.684 347 HG3 GLU 62 HG1 GLU 62 3.074 3.153 3.536 348 HA PRO 63 HA PRO 63 8.128 4.682 4.392 349 HB2 PRO 63 HB2 PRO 63 10.469 2.974 3.974 350 HB3 PRO 63 HB1 PRO 63 9.754 3.538 5.486 351 HG2 PRO 63 HG2 PRO 63 9.619 0.960 4.713 352 HG3 PRO 63 HG1 PRO 63 8.319 1.740 5.635 353 HD2 PRO 63 HD2 PRO 63 8.484 1.180 2.695 354 HD3 PRO 63 HD1 PRO 63 7.113 0.978 3.805 355 H ASP 64 HN ASP 64 8.491 3.368 1.259 356 HA ASP 64 HA ASP 64 10.711 5.152 0.585 357 HB2 ASP 64 HB2 ASP 64 9.433 2.889 -0.956 358 HB3 ASP 64 HB1 ASP 64 10.722 3.906 -1.592 359 H PHE 65 HN PHE 65 7.502 5.467 0.771 360 HA PHE 65 HA PHE 65 6.677 6.371 -1.753 361 HB2 PHE 65 HB2 PHE 65 5.110 5.830 0.066 362 HB3 PHE 65 HB1 PHE 65 5.672 7.231 0.970 363 HD1 PHE 65 HD2 PHE 65 4.251 6.376 -2.375 364 HD2 PHE 65 HD1 PHE 65 4.463 9.178 0.823 365 HE1 PHE 65 HE2 PHE 65 2.567 7.776 -3.498 366 HE2 PHE 65 HE1 PHE 65 2.784 10.582 -0.296 367 HZ PHE 65 HZ PHE 65 1.831 9.883 -2.459 368 H THR 66 HN THR 66 8.330 7.993 0.864 369 HA THR 66 HA THR 66 8.082 10.639 0.035 370 HB THR 66 HB THR 66 8.967 10.007 2.228 371 HG1 THR 66 HG1 THR 66 9.903 11.885 2.209 372 HG21 THR 66 HG21 THR 66 10.310 8.073 1.572 373 HG22 THR 66 HG22 THR 66 11.274 9.231 2.489 374 HG23 THR 66 HG23 THR 66 11.443 9.134 0.735 375 H ALA 67 HN ALA 67 10.195 8.089 -1.121 376 HA ALA 67 HA ALA 67 11.855 9.909 -2.643 377 HB1 ALA 67 HB1 ALA 67 12.980 7.893 -3.430 378 HB2 ALA 67 HB2 ALA 67 11.756 6.894 -2.646 379 HB3 ALA 67 HB3 ALA 67 12.835 7.895 -1.672 380 H ALA 68 HN ALA 68 9.179 7.701 -3.192 381 HA ALA 68 HA ALA 68 9.163 7.565 -5.970 382 HB1 ALA 68 HB1 ALA 68 7.695 6.238 -4.521 383 HB2 ALA 68 HB2 ALA 68 6.796 7.060 -5.797 384 HB3 ALA 68 HB3 ALA 68 6.765 7.690 -4.149 385 H VAL 69 HN VAL 69 7.546 9.933 -3.868 386 HA VAL 69 HA VAL 69 6.422 11.497 -5.909 387 HB VAL 69 HB VAL 69 7.310 12.406 -3.165 388 HG11 VAL 69 HG11 VAL 69 6.850 14.279 -4.649 389 HG12 VAL 69 HG12 VAL 69 5.592 14.143 -3.420 390 HG13 VAL 69 HG13 VAL 69 5.282 13.586 -5.065 391 HG21 VAL 69 HG21 VAL 69 4.982 11.957 -2.497 392 HG22 VAL 69 HG22 VAL 69 5.833 10.497 -2.998 393 HG23 VAL 69 HG23 VAL 69 4.676 11.261 -4.089 394 H TYR 70 HN TYR 70 9.576 11.584 -4.348 395 HA TYR 70 HA TYR 70 10.454 14.054 -5.377 396 HB2 TYR 70 HB2 TYR 70 11.473 12.665 -3.488 397 HB3 TYR 70 HB1 TYR 70 12.248 11.711 -4.746 398 HD1 TYR 70 HD2 TYR 70 12.136 14.971 -3.081 399 HD2 TYR 70 HD1 TYR 70 14.096 12.619 -6.035 400 HE1 TYR 70 HE2 TYR 70 13.981 16.596 -3.141 401 HE2 TYR 70 HE1 TYR 70 15.948 14.236 -6.103 402 HH TYR 70 HH TYR 70 16.329 16.627 -5.581 403 H TRP 71 HN TRP 71 10.628 10.757 -6.628 404 HA TRP 71 HA TRP 71 12.289 11.383 -8.845 405 HB2 TRP 71 HB2 TRP 71 10.381 9.062 -8.501 406 HB3 TRP 71 HB1 TRP 71 11.633 9.185 -9.729 407 HD1 TRP 71 HD1 TRP 71 11.316 6.977 -7.264 408 HE1 TRP 71 HE1 TRP 71 13.399 6.538 -5.822 409 HE3 TRP 71 HE3 TRP 71 13.971 11.230 -8.321 410 HZ2 TRP 71 HZ2 TRP 71 15.836 7.809 -5.215 411 HZ3 TRP 71 HZ3 TRP 71 16.164 11.534 -7.263 412 HH2 TRP 71 HH2 TRP 71 17.081 9.858 -5.744 413 H ILE 72 HN ILE 72 8.789 11.266 -8.382 414 HA ILE 72 HA ILE 72 8.094 11.621 -11.106 415 HB ILE 72 HB ILE 72 6.481 12.563 -8.729 416 HG12 ILE 72 HG12 ILE 72 7.072 10.229 -8.391 417 HG13 ILE 72 HG11 ILE 72 5.372 10.351 -8.827 418 HG21 ILE 72 HG21 ILE 72 5.678 11.767 -11.523 419 HG22 ILE 72 HG22 ILE 72 5.654 13.395 -10.844 420 HG23 ILE 72 HG23 ILE 72 4.559 12.162 -10.219 421 HD11 ILE 72 HD11 ILE 72 6.429 8.479 -9.943 422 HD12 ILE 72 HD12 ILE 72 7.618 9.560 -10.668 423 HD13 ILE 72 HD13 ILE 72 5.917 9.691 -11.116 424 H LYS 73 HN LYS 73 9.091 13.790 -8.579 425 HA LYS 73 HA LYS 73 8.322 16.208 -9.867 426 HB2 LYS 73 HB2 LYS 73 10.352 15.649 -7.704 427 HB3 LYS 73 HB1 LYS 73 9.953 17.268 -8.268 428 HG2 LYS 73 HG2 LYS 73 8.132 15.302 -6.907 429 HG3 LYS 73 HG1 LYS 73 8.705 16.857 -6.291 430 HD2 LYS 73 HD2 LYS 73 7.515 18.005 -8.091 431 HD3 LYS 73 HD1 LYS 73 6.941 16.454 -8.702 432 HE2 LYS 73 HE2 LYS 73 5.789 16.077 -6.541 433 HE3 LYS 73 HE1 LYS 73 6.299 17.683 -6.020 434 HZ1 LYS 73 HZ1 LYS 73 4.057 17.748 -6.855 435 HZ2 LYS 73 HZ2 LYS 73 4.538 17.063 -8.328 436 HZ3 LYS 73 HZ3 LYS 73 5.069 18.615 -7.905 437 H THR 74 HN THR 74 10.830 13.988 -10.418 438 HA THR 74 HA THR 74 12.611 15.925 -11.633 439 HB THR 74 HB THR 74 12.934 12.948 -11.905 440 HG1 THR 74 HG1 THR 74 12.653 14.179 -9.577 441 HG21 THR 74 HG21 THR 74 14.852 15.254 -11.578 442 HG22 THR 74 HG22 THR 74 14.495 14.401 -13.081 443 HG23 THR 74 HG23 THR 74 15.314 13.561 -11.764 444 H TYR 75 HN TYR 75 9.856 14.248 -12.522 445 HA TYR 75 HA TYR 75 10.433 13.771 -15.276 446 HB2 TYR 75 HB2 TYR 75 8.641 12.546 -14.202 447 HB3 TYR 75 HB1 TYR 75 7.819 14.042 -13.773 448 HD1 TYR 75 HD1 TYR 75 8.971 12.112 -16.755 449 HD2 TYR 75 HD2 TYR 75 6.144 14.856 -15.147 450 HE1 TYR 75 HE1 TYR 75 7.691 12.014 -18.855 451 HE2 TYR 75 HE2 TYR 75 4.857 14.767 -17.241 452 HH TYR 75 HH TYR 75 5.372 12.421 -19.620 453 H GLN 76 HN GLN 76 10.070 15.060 -17.030 454 HA GLN 76 HA GLN 76 10.097 17.885 -16.484 455 HB2 GLN 76 HB2 GLN 76 11.542 16.735 -18.203 456 HB3 GLN 76 HB1 GLN 76 10.094 16.536 -19.180 457 HG2 GLN 76 HG2 GLN 76 11.330 18.451 -19.934 458 HG3 GLN 76 HG1 GLN 76 9.804 18.975 -19.218 459 HE21 GLN 76 HE21 GLN 76 13.253 18.871 -18.865 460 HE22 GLN 76 HE22 GLN 76 13.366 20.044 -17.593 Start of MODEL 7 1 H1 LYS 19 HT1 LYS 19 -0.039 0.464 1.400 2 H2 LYS 19 HT2 LYS 19 0.422 -1.094 1.870 3 H3 LYS 19 HT3 LYS 19 -1.152 -0.815 1.311 4 HA LYS 19 HA LYS 19 1.318 -0.525 -0.307 5 HB2 LYS 19 HB2 LYS 19 0.362 -2.881 0.447 6 HB3 LYS 19 HB1 LYS 19 -0.825 -2.560 -0.809 7 HG2 LYS 19 HG2 LYS 19 0.883 -3.858 -1.800 8 HG3 LYS 19 HG1 LYS 19 1.108 -2.207 -2.388 9 HD2 LYS 19 HD2 LYS 19 3.256 -3.089 -1.777 10 HD3 LYS 19 HD1 LYS 19 2.797 -1.870 -0.584 11 HE2 LYS 19 HE2 LYS 19 1.883 -3.798 0.803 12 HE3 LYS 19 HE1 LYS 19 2.746 -4.866 -0.303 13 HZ1 LYS 19 HZ1 LYS 19 3.891 -2.821 1.508 14 HZ2 LYS 19 HZ2 LYS 19 4.787 -3.553 0.271 15 HZ3 LYS 19 HZ3 LYS 19 4.155 -4.493 1.529 16 H ASP 20 HN ASP 20 -0.400 1.631 -0.131 17 HA ASP 20 HA ASP 20 -1.948 1.516 -2.605 18 HB2 ASP 20 HB2 ASP 20 -3.986 2.364 -1.387 19 HB3 ASP 20 HB1 ASP 20 -3.577 0.680 -1.077 20 H LYS 21 HN LYS 21 0.353 3.078 -1.790 21 HA LYS 21 HA LYS 21 -0.700 5.738 -1.299 22 HB2 LYS 21 HB2 LYS 21 2.131 4.803 -1.799 23 HB3 LYS 21 HB1 LYS 21 1.673 6.450 -1.395 24 HG2 LYS 21 HG2 LYS 21 1.210 4.055 0.375 25 HG3 LYS 21 HG1 LYS 21 2.566 5.171 0.520 26 HD2 LYS 21 HD2 LYS 21 1.086 5.991 2.102 27 HD3 LYS 21 HD1 LYS 21 0.713 6.990 0.698 28 HE2 LYS 21 HE2 LYS 21 -1.350 6.281 1.692 29 HE3 LYS 21 HE1 LYS 21 -1.151 5.436 0.159 30 HZ1 LYS 21 HZ1 LYS 21 -1.892 3.846 1.705 31 HZ2 LYS 21 HZ2 LYS 21 -0.789 4.349 2.891 32 HZ3 LYS 21 HZ3 LYS 21 -0.232 3.536 1.515 33 H ASP 22 HN ASP 22 -1.465 6.940 -2.888 34 HA ASP 22 HA ASP 22 -1.232 6.187 -5.618 35 HB2 ASP 22 HB2 ASP 22 -2.205 8.841 -4.546 36 HB3 ASP 22 HB1 ASP 22 -2.565 8.135 -6.116 37 H LEU 23 HN LEU 23 0.324 6.645 -6.996 38 HA LEU 23 HA LEU 23 2.110 8.906 -6.423 39 HB2 LEU 23 HB2 LEU 23 3.129 6.654 -6.644 40 HB3 LEU 23 HB1 LEU 23 2.522 6.562 -8.284 41 HG LEU 23 HG LEU 23 3.934 8.497 -8.897 42 HD11 LEU 23 HD11 LEU 23 5.002 8.213 -6.093 43 HD12 LEU 23 HD12 LEU 23 4.055 9.567 -6.712 44 HD13 LEU 23 HD13 LEU 23 5.669 9.254 -7.352 45 HD21 LEU 23 HD21 LEU 23 6.074 7.305 -8.818 46 HD22 LEU 23 HD22 LEU 23 4.747 6.226 -9.253 47 HD23 LEU 23 HD23 LEU 23 5.408 6.196 -7.617 48 H LEU 24 HN LEU 24 -0.289 7.734 -8.575 49 HA LEU 24 HA LEU 24 0.068 10.048 -10.333 50 HB2 LEU 24 HB2 LEU 24 -0.308 7.211 -11.313 51 HB3 LEU 24 HB1 LEU 24 -0.267 8.643 -12.322 52 HG LEU 24 HG LEU 24 2.071 7.748 -10.642 53 HD11 LEU 24 HD11 LEU 24 3.012 6.837 -12.714 54 HD12 LEU 24 HD12 LEU 24 1.494 7.171 -13.545 55 HD13 LEU 24 HD13 LEU 24 1.539 5.994 -12.234 56 HD21 LEU 24 HD21 LEU 24 2.114 10.092 -11.270 57 HD22 LEU 24 HD22 LEU 24 1.824 9.669 -12.957 58 HD23 LEU 24 HD23 LEU 24 3.334 9.198 -12.177 59 H LYS 25 HN LYS 25 -1.897 10.545 -11.567 60 HA LYS 25 HA LYS 25 -4.299 9.117 -10.628 61 HB2 LYS 25 HB2 LYS 25 -3.828 12.070 -10.790 62 HB3 LYS 25 HB1 LYS 25 -5.444 11.441 -11.053 63 HG2 LYS 25 HG2 LYS 25 -5.444 11.980 -8.812 64 HG3 LYS 25 HG1 LYS 25 -5.110 10.249 -8.797 65 HD2 LYS 25 HD2 LYS 25 -2.750 10.674 -8.484 66 HD3 LYS 25 HD1 LYS 25 -3.020 12.414 -8.615 67 HE2 LYS 25 HE2 LYS 25 -4.036 10.572 -6.458 68 HE3 LYS 25 HE1 LYS 25 -2.809 11.826 -6.293 69 HZ1 LYS 25 HZ1 LYS 25 -4.572 13.449 -6.944 70 HZ2 LYS 25 HZ2 LYS 25 -4.818 12.696 -5.448 71 HZ3 LYS 25 HZ3 LYS 25 -5.707 12.195 -6.800 72 H GLY 26 HN GLY 26 -5.123 8.069 -12.301 73 HA2 GLY 26 HA2 GLY 26 -6.128 7.725 -14.328 74 HA3 GLY 26 HA1 GLY 26 -6.211 9.471 -14.484 75 H LEU 27 HN LEU 27 -3.473 7.185 -14.413 76 HA LEU 27 HA LEU 27 -2.688 8.279 -17.028 77 HB2 LEU 27 HB2 LEU 27 -1.083 7.301 -14.718 78 HB3 LEU 27 HB1 LEU 27 -0.449 7.023 -16.329 79 HG LEU 27 HG LEU 27 -0.705 9.519 -16.721 80 HD11 LEU 27 HD11 LEU 27 -1.020 9.530 -13.729 81 HD12 LEU 27 HD12 LEU 27 -2.244 10.002 -14.905 82 HD13 LEU 27 HD13 LEU 27 -0.761 10.946 -14.749 83 HD21 LEU 27 HD21 LEU 27 1.208 8.631 -14.570 84 HD22 LEU 27 HD22 LEU 27 1.385 10.047 -15.605 85 HD23 LEU 27 HD23 LEU 27 1.447 8.429 -16.305 86 H ASP 28 HN ASP 28 -2.008 6.870 -18.649 87 HA ASP 28 HA ASP 28 -3.217 4.220 -18.443 88 HB2 ASP 28 HB2 ASP 28 -3.785 5.739 -20.354 89 HB3 ASP 28 HB1 ASP 28 -2.112 5.619 -20.888 90 H GLN 29 HN GLN 29 -1.962 2.519 -19.832 91 HA GLN 29 HA GLN 29 0.313 1.837 -18.365 92 HB2 GLN 29 HB2 GLN 29 -1.161 0.232 -19.545 93 HB3 GLN 29 HB1 GLN 29 -0.523 0.804 -21.079 94 HG2 GLN 29 HG2 GLN 29 1.724 0.052 -20.385 95 HG3 GLN 29 HG1 GLN 29 1.015 -0.600 -18.908 96 HE21 GLN 29 HE21 GLN 29 -0.307 -2.424 -19.029 97 HE22 GLN 29 HE22 GLN 29 -0.322 -3.449 -20.420 98 H GLU 30 HN GLU 30 -0.003 3.370 -21.540 99 HA GLU 30 HA GLU 30 2.731 3.209 -22.236 100 HB2 GLU 30 HB2 GLU 30 2.201 4.952 -23.910 101 HB3 GLU 30 HB1 GLU 30 1.061 3.614 -23.935 102 HG2 GLU 30 HG2 GLU 30 -0.576 4.932 -22.760 103 HG3 GLU 30 HG1 GLU 30 0.574 6.255 -22.574 104 H GLN 31 HN GLN 31 0.912 5.464 -20.293 105 HA GLN 31 HA GLN 31 2.994 7.452 -20.210 106 HB2 GLN 31 HB2 GLN 31 0.585 7.088 -18.418 107 HB3 GLN 31 HB1 GLN 31 1.610 8.514 -18.486 108 HG2 GLN 31 HG2 GLN 31 0.916 8.920 -20.780 109 HG3 GLN 31 HG1 GLN 31 -0.088 7.470 -20.739 110 HE21 GLN 31 HE21 GLN 31 0.281 10.736 -19.637 111 HE22 GLN 31 HE22 GLN 31 -1.324 10.931 -19.015 112 H ALA 32 HN ALA 32 1.780 4.887 -18.117 113 HA ALA 32 HA ALA 32 3.467 5.399 -15.913 114 HB1 ALA 32 HB1 ALA 32 2.157 2.812 -16.741 115 HB2 ALA 32 HB2 ALA 32 1.436 4.063 -15.726 116 HB3 ALA 32 HB3 ALA 32 2.842 3.163 -15.155 117 H ASN 33 HN ASN 33 4.049 3.934 -18.947 118 HA ASN 33 HA ASN 33 6.117 2.157 -18.387 119 HB2 ASN 33 HB2 ASN 33 5.037 2.319 -20.581 120 HB3 ASN 33 HB1 ASN 33 5.738 3.914 -20.822 121 HD21 ASN 33 HD21 ASN 33 7.473 1.235 -19.355 122 HD22 ASN 33 HD22 ASN 33 8.593 1.020 -20.653 123 H GLU 34 HN GLU 34 6.257 5.654 -19.033 124 HA GLU 34 HA GLU 34 9.107 5.779 -18.752 125 HB2 GLU 34 HB2 GLU 34 7.098 8.030 -18.565 126 HB3 GLU 34 HB1 GLU 34 8.824 8.188 -18.855 127 HG2 GLU 34 HG2 GLU 34 8.556 7.005 -20.989 128 HG3 GLU 34 HG1 GLU 34 6.819 6.910 -20.698 129 H VAL 35 HN VAL 35 6.352 6.158 -16.666 130 HA VAL 35 HA VAL 35 7.646 7.424 -14.503 131 HB VAL 35 HB VAL 35 5.133 5.752 -14.588 132 HG11 VAL 35 HG11 VAL 35 4.580 6.768 -12.421 133 HG12 VAL 35 HG12 VAL 35 6.182 7.502 -12.367 134 HG13 VAL 35 HG13 VAL 35 6.015 5.746 -12.325 135 HG21 VAL 35 HG21 VAL 35 5.570 8.736 -14.536 136 HG22 VAL 35 HG22 VAL 35 4.004 7.926 -14.490 137 HG23 VAL 35 HG23 VAL 35 5.028 7.784 -15.919 138 H ILE 36 HN ILE 36 6.819 3.986 -15.056 139 HA ILE 36 HA ILE 36 7.989 3.094 -12.627 140 HB ILE 36 HB ILE 36 6.294 1.785 -13.875 141 HG12 ILE 36 HG12 ILE 36 8.906 0.318 -13.441 142 HG13 ILE 36 HG11 ILE 36 7.734 0.710 -12.188 143 HG21 ILE 36 HG21 ILE 36 8.545 1.214 -15.799 144 HG22 ILE 36 HG22 ILE 36 7.098 2.161 -16.141 145 HG23 ILE 36 HG23 ILE 36 6.961 0.436 -15.801 146 HD11 ILE 36 HD11 ILE 36 6.085 -0.714 -13.285 147 HD12 ILE 36 HD12 ILE 36 7.549 -1.609 -12.874 148 HD13 ILE 36 HD13 ILE 36 7.261 -1.105 -14.540 149 H ALA 37 HN ALA 37 9.279 3.903 -15.709 150 HA ALA 37 HA ALA 37 11.595 2.322 -15.743 151 HB1 ALA 37 HB1 ALA 37 11.163 5.038 -16.973 152 HB2 ALA 37 HB2 ALA 37 10.766 3.489 -17.715 153 HB3 ALA 37 HB3 ALA 37 12.449 3.904 -17.390 154 H VAL 38 HN VAL 38 11.001 5.554 -14.379 155 HA VAL 38 HA VAL 38 13.738 5.977 -13.702 156 HB VAL 38 HB VAL 38 12.103 7.834 -14.046 157 HG11 VAL 38 HG11 VAL 38 10.664 8.515 -12.191 158 HG12 VAL 38 HG12 VAL 38 11.098 7.044 -11.320 159 HG13 VAL 38 HG13 VAL 38 10.204 6.939 -12.837 160 HG21 VAL 38 HG21 VAL 38 14.249 8.233 -12.976 161 HG22 VAL 38 HG22 VAL 38 13.556 7.836 -11.405 162 HG23 VAL 38 HG23 VAL 38 13.002 9.266 -12.276 163 H LEU 39 HN LEU 39 11.018 4.507 -12.057 164 HA LEU 39 HA LEU 39 12.279 4.373 -9.499 165 HB2 LEU 39 HB2 LEU 39 9.956 2.928 -10.737 166 HB3 LEU 39 HB1 LEU 39 10.604 2.409 -9.196 167 HG LEU 39 HG LEU 39 8.751 3.777 -8.702 168 HD11 LEU 39 HD11 LEU 39 9.736 5.687 -7.515 169 HD12 LEU 39 HD12 LEU 39 11.253 5.422 -8.374 170 HD13 LEU 39 HD13 LEU 39 10.642 4.195 -7.264 171 HD21 LEU 39 HD21 LEU 39 8.447 6.038 -9.560 172 HD22 LEU 39 HD22 LEU 39 8.487 4.855 -10.866 173 HD23 LEU 39 HD23 LEU 39 9.898 5.864 -10.550 174 H GLN 40 HN GLN 40 11.835 2.018 -12.124 175 HA GLN 40 HA GLN 40 13.317 -0.054 -10.927 176 HB2 GLN 40 HB2 GLN 40 11.729 -0.337 -12.819 177 HB3 GLN 40 HB1 GLN 40 12.885 0.459 -13.876 178 HG2 GLN 40 HG2 GLN 40 14.460 -1.320 -13.599 179 HG3 GLN 40 HG1 GLN 40 13.457 -2.074 -12.360 180 HE21 GLN 40 HE21 GLN 40 14.440 -3.118 -14.918 181 HE22 GLN 40 HE22 GLN 40 13.030 -3.614 -15.792 182 H MET 41 HN MET 41 14.257 2.684 -12.888 183 HA MET 41 HA MET 41 16.909 2.039 -13.460 184 HB2 MET 41 HB2 MET 41 15.828 3.975 -14.436 185 HB3 MET 41 HB1 MET 41 15.627 4.709 -12.852 186 HG2 MET 41 HG2 MET 41 18.100 4.830 -12.661 187 HG3 MET 41 HG1 MET 41 18.212 4.249 -14.324 188 HE1 MET 41 HE1 MET 41 19.155 8.057 -14.598 189 HE2 MET 41 HE2 MET 41 19.667 6.410 -14.964 190 HE3 MET 41 HE3 MET 41 19.549 6.945 -13.289 191 H HIS 42 HN HIS 42 15.422 3.222 -10.512 192 HA HIS 42 HA HIS 42 18.047 3.510 -9.253 193 HB2 HIS 42 HB2 HIS 42 15.297 4.452 -8.500 194 HB3 HIS 42 HB1 HIS 42 16.589 4.396 -7.306 195 HD1 HIS 42 HD1 HIS 42 18.411 6.166 -7.432 196 HD2 HIS 42 HD2 HIS 42 15.670 6.388 -10.562 197 HE1 HIS 42 HE1 HIS 42 18.891 8.338 -8.607 198 HE2 HIS 42 HE2 HIS 42 17.351 8.368 -10.602 199 H ASN 43 HN ASN 43 16.379 0.988 -9.902 200 HA ASN 43 HA ASN 43 16.407 -1.133 -9.129 201 HB2 ASN 43 HB2 ASN 43 18.382 0.049 -7.179 202 HB3 ASN 43 HB1 ASN 43 18.010 -1.670 -7.255 203 HD21 ASN 43 HD21 ASN 43 18.569 -2.843 -9.111 204 HD22 ASN 43 HD22 ASN 43 19.805 -2.273 -10.186 205 H ILE 44 HN ILE 44 14.577 0.994 -7.841 206 HA ILE 44 HA ILE 44 13.913 -0.521 -5.426 207 HB ILE 44 HB ILE 44 13.934 1.864 -5.064 208 HG12 ILE 44 HG12 ILE 44 11.083 0.858 -5.191 209 HG13 ILE 44 HG11 ILE 44 12.218 0.556 -3.880 210 HG21 ILE 44 HG21 ILE 44 11.920 2.067 -7.293 211 HG22 ILE 44 HG22 ILE 44 13.592 2.625 -7.337 212 HG23 ILE 44 HG23 ILE 44 12.435 3.391 -6.249 213 HD11 ILE 44 HD11 ILE 44 11.132 3.240 -4.704 214 HD12 ILE 44 HD12 ILE 44 12.295 2.955 -3.407 215 HD13 ILE 44 HD13 ILE 44 10.660 2.305 -3.285 216 H GLU 45 HN GLU 45 12.240 -1.869 -5.331 217 HA GLU 45 HA GLU 45 11.095 -2.744 -7.766 218 HB2 GLU 45 HB2 GLU 45 9.601 -4.129 -6.135 219 HB3 GLU 45 HB1 GLU 45 11.311 -4.493 -6.293 220 HG2 GLU 45 HG2 GLU 45 10.350 -2.654 -4.141 221 HG3 GLU 45 HG1 GLU 45 10.245 -4.405 -3.949 222 H ALA 46 HN ALA 46 9.433 -2.051 -8.813 223 HA ALA 46 HA ALA 46 7.472 -0.352 -7.443 224 HB1 ALA 46 HB1 ALA 46 8.169 -0.524 -10.373 225 HB2 ALA 46 HB2 ALA 46 8.645 0.760 -9.259 226 HB3 ALA 46 HB3 ALA 46 6.945 0.532 -9.672 227 H ASN 47 HN ASN 47 5.464 -1.027 -7.236 228 HA ASN 47 HA ASN 47 4.635 -3.454 -8.669 229 HB2 ASN 47 HB2 ASN 47 3.878 -2.336 -5.980 230 HB3 ASN 47 HB1 ASN 47 2.830 -3.484 -6.807 231 HD21 ASN 47 HD21 ASN 47 3.514 -5.589 -7.094 232 HD22 ASN 47 HD22 ASN 47 4.830 -6.269 -6.203 233 H LYS 48 HN LYS 48 2.052 -3.463 -8.700 234 HA LYS 48 HA LYS 48 1.406 -1.049 -10.265 235 HB2 LYS 48 HB2 LYS 48 1.680 -3.221 -11.493 236 HB3 LYS 48 HB1 LYS 48 0.316 -3.851 -10.587 237 HG2 LYS 48 HG2 LYS 48 -0.456 -3.203 -12.741 238 HG3 LYS 48 HG1 LYS 48 -1.090 -2.046 -11.570 239 HD2 LYS 48 HD2 LYS 48 -0.245 -0.986 -13.645 240 HD3 LYS 48 HD1 LYS 48 0.581 -0.428 -12.189 241 HE2 LYS 48 HE2 LYS 48 2.106 -0.863 -14.102 242 HE3 LYS 48 HE1 LYS 48 2.484 -1.809 -12.668 243 HZ1 LYS 48 HZ1 LYS 48 0.877 -2.875 -14.929 244 HZ2 LYS 48 HZ2 LYS 48 1.575 -3.742 -13.648 245 HZ3 LYS 48 HZ3 LYS 48 2.561 -3.035 -14.823 246 H ILE 49 HN ILE 49 -0.106 0.218 -9.355 247 HA ILE 49 HA ILE 49 -2.289 -1.101 -7.884 248 HB ILE 49 HB ILE 49 -2.848 1.344 -7.197 249 HG12 ILE 49 HG12 ILE 49 0.111 1.608 -7.775 250 HG13 ILE 49 HG11 ILE 49 -1.176 2.403 -8.677 251 HG21 ILE 49 HG21 ILE 49 -0.521 -0.160 -6.019 252 HG22 ILE 49 HG22 ILE 49 -2.229 -0.389 -5.641 253 HG23 ILE 49 HG23 ILE 49 -1.425 1.120 -5.209 254 HD11 ILE 49 HD11 ILE 49 -1.823 3.622 -6.659 255 HD12 ILE 49 HD12 ILE 49 -0.148 3.932 -7.111 256 HD13 ILE 49 HD13 ILE 49 -0.514 2.840 -5.775 257 H ASP 50 HN ASP 50 -3.874 -1.549 -9.209 258 HA ASP 50 HA ASP 50 -4.549 0.394 -11.312 259 HB2 ASP 50 HB2 ASP 50 -5.447 -1.410 -12.617 260 HB3 ASP 50 HB1 ASP 50 -3.843 -1.888 -12.079 261 H SER 51 HN SER 51 -6.616 1.108 -11.535 262 HA SER 51 HA SER 51 -8.776 -0.063 -10.012 263 HB2 SER 51 HB2 SER 51 -7.912 2.795 -9.484 264 HB3 SER 51 HB1 SER 51 -9.380 2.041 -8.864 265 HG SER 51 HG SER 51 -7.065 0.635 -8.334 266 H GLY 52 HN GLY 52 -10.866 0.920 -10.595 267 HA2 GLY 52 HA2 GLY 52 -11.125 1.222 -13.360 268 HA3 GLY 52 HA1 GLY 52 -12.370 1.603 -12.182 269 H LYS 53 HN LYS 53 -11.106 3.693 -10.812 270 HA LYS 53 HA LYS 53 -11.368 5.783 -12.820 271 HB2 LYS 53 HB2 LYS 53 -12.628 6.083 -10.771 272 HB3 LYS 53 HB1 LYS 53 -11.167 5.927 -9.804 273 HG2 LYS 53 HG2 LYS 53 -11.908 8.259 -10.033 274 HG3 LYS 53 HG1 LYS 53 -10.301 7.994 -10.713 275 HD2 LYS 53 HD2 LYS 53 -11.794 7.542 -12.899 276 HD3 LYS 53 HD1 LYS 53 -12.845 8.680 -12.054 277 HE2 LYS 53 HE2 LYS 53 -9.922 9.181 -12.574 278 HE3 LYS 53 HE1 LYS 53 -11.206 9.702 -13.665 279 HZ1 LYS 53 HZ1 LYS 53 -10.877 10.537 -10.831 280 HZ2 LYS 53 HZ2 LYS 53 -12.148 11.013 -11.852 281 HZ3 LYS 53 HZ3 LYS 53 -10.558 11.484 -12.203 282 H LEU 54 HN LEU 54 -8.949 4.495 -10.614 283 HA LEU 54 HA LEU 54 -7.126 6.652 -10.928 284 HB2 LEU 54 HB2 LEU 54 -7.203 5.047 -8.998 285 HB3 LEU 54 HB1 LEU 54 -6.496 3.838 -10.053 286 HG LEU 54 HG LEU 54 -4.581 5.487 -10.400 287 HD11 LEU 54 HD11 LEU 54 -4.235 7.130 -8.652 288 HD12 LEU 54 HD12 LEU 54 -5.782 6.702 -7.919 289 HD13 LEU 54 HD13 LEU 54 -5.740 7.451 -9.516 290 HD21 LEU 54 HD21 LEU 54 -4.386 3.445 -9.073 291 HD22 LEU 54 HD22 LEU 54 -5.018 4.295 -7.661 292 HD23 LEU 54 HD23 LEU 54 -3.464 4.766 -8.351 293 H GLY 55 HN GLY 55 -7.639 3.624 -12.619 294 HA2 GLY 55 HA2 GLY 55 -6.851 2.975 -14.695 295 HA3 GLY 55 HA1 GLY 55 -5.936 4.475 -14.781 296 H TYR 56 HN TYR 56 -3.874 3.970 -15.121 297 HA TYR 56 HA TYR 56 -2.699 1.749 -13.591 298 HB2 TYR 56 HB2 TYR 56 -1.742 3.155 -16.095 299 HB3 TYR 56 HB1 TYR 56 -0.816 1.930 -15.238 300 HD1 TYR 56 HD2 TYR 56 -1.477 -0.412 -15.322 301 HD2 TYR 56 HD1 TYR 56 -3.676 2.559 -17.426 302 HE1 TYR 56 HE2 TYR 56 -2.565 -2.170 -16.651 303 HE2 TYR 56 HE1 TYR 56 -4.769 0.812 -18.766 304 HH TYR 56 HH TYR 56 -4.273 -1.542 -19.481 305 H SER 57 HN SER 57 -1.603 2.323 -11.839 306 HA SER 57 HA SER 57 0.102 4.698 -11.982 307 HB2 SER 57 HB2 SER 57 -1.718 3.995 -9.668 308 HB3 SER 57 HB1 SER 57 -0.513 5.284 -9.655 309 HG SER 57 HG SER 57 -2.332 5.274 -11.758 310 H ILE 58 HN ILE 58 1.841 4.668 -10.374 311 HA ILE 58 HA ILE 58 2.774 1.914 -10.011 312 HB ILE 58 HB ILE 58 4.396 4.471 -9.901 313 HG12 ILE 58 HG12 ILE 58 3.467 4.125 -12.146 314 HG13 ILE 58 HG11 ILE 58 5.203 3.843 -12.138 315 HG21 ILE 58 HG21 ILE 58 5.402 2.652 -8.655 316 HG22 ILE 58 HG22 ILE 58 6.319 2.965 -10.127 317 HG23 ILE 58 HG23 ILE 58 5.235 1.578 -10.045 318 HD11 ILE 58 HD11 ILE 58 3.073 1.718 -12.098 319 HD12 ILE 58 HD12 ILE 58 4.813 1.434 -12.109 320 HD13 ILE 58 HD13 ILE 58 4.035 2.200 -13.495 321 H THR 59 HN THR 59 2.814 1.079 -8.025 322 HA THR 59 HA THR 59 3.134 2.937 -5.766 323 HB THR 59 HB THR 59 1.041 1.656 -5.555 324 HG1 THR 59 HG1 THR 59 3.134 0.949 -3.753 325 HG21 THR 59 HG21 THR 59 1.119 -0.785 -5.209 326 HG22 THR 59 HG22 THR 59 2.830 -0.779 -5.637 327 HG23 THR 59 HG23 THR 59 1.618 -0.326 -6.836 328 H VAL 60 HN VAL 60 4.859 2.668 -4.465 329 HA VAL 60 HA VAL 60 6.715 0.500 -5.186 330 HB VAL 60 HB VAL 60 8.535 1.939 -4.369 331 HG11 VAL 60 HG11 VAL 60 8.533 3.569 -6.204 332 HG12 VAL 60 HG12 VAL 60 6.817 3.262 -6.471 333 HG13 VAL 60 HG13 VAL 60 7.997 1.979 -6.744 334 HG21 VAL 60 HG21 VAL 60 8.134 4.295 -3.867 335 HG22 VAL 60 HG22 VAL 60 7.267 3.247 -2.748 336 HG23 VAL 60 HG23 VAL 60 6.399 4.046 -4.057 337 H ALA 61 HN ALA 61 8.244 0.001 -3.261 338 HA ALA 61 HA ALA 61 7.052 -0.921 -1.002 339 HB1 ALA 61 HB1 ALA 61 9.197 -0.677 0.135 340 HB2 ALA 61 HB2 ALA 61 9.737 0.461 -1.099 341 HB3 ALA 61 HB3 ALA 61 9.440 -1.226 -1.524 342 H GLU 62 HN GLU 62 5.780 0.016 0.425 343 HA GLU 62 HA GLU 62 4.997 2.650 0.186 344 HB2 GLU 62 HB2 GLU 62 3.818 0.589 1.210 345 HB3 GLU 62 HB1 GLU 62 4.547 1.120 2.718 346 HG2 GLU 62 HG2 GLU 62 3.236 2.978 2.862 347 HG3 GLU 62 HG1 GLU 62 3.031 3.105 1.113 348 HA PRO 63 HA PRO 63 7.611 3.731 4.196 349 HB2 PRO 63 HB2 PRO 63 9.841 1.815 3.817 350 HB3 PRO 63 HB1 PRO 63 9.064 2.359 5.308 351 HG2 PRO 63 HG2 PRO 63 8.617 -0.084 4.359 352 HG3 PRO 63 HG1 PRO 63 7.310 0.861 5.097 353 HD2 PRO 63 HD2 PRO 63 7.890 0.366 2.201 354 HD3 PRO 63 HD1 PRO 63 6.330 0.385 3.050 355 H ASP 64 HN ASP 64 8.660 2.806 1.041 356 HA ASP 64 HA ASP 64 10.702 4.930 1.027 357 HB2 ASP 64 HB2 ASP 64 10.408 2.424 -0.610 358 HB3 ASP 64 HB1 ASP 64 11.408 3.764 -1.164 359 H PHE 65 HN PHE 65 7.644 4.925 0.574 360 HA PHE 65 HA PHE 65 7.123 5.618 -2.088 361 HB2 PHE 65 HB2 PHE 65 5.343 5.159 -0.469 362 HB3 PHE 65 HB1 PHE 65 5.761 6.618 0.422 363 HD1 PHE 65 HD2 PHE 65 4.992 5.701 -3.121 364 HD2 PHE 65 HD1 PHE 65 4.345 8.379 0.121 365 HE1 PHE 65 HE2 PHE 65 3.429 6.997 -4.510 366 HE2 PHE 65 HE1 PHE 65 2.777 9.677 -1.262 367 HZ PHE 65 HZ PHE 65 2.318 8.988 -3.579 368 H THR 66 HN THR 66 8.560 7.407 0.502 369 HA THR 66 HA THR 66 8.352 10.022 -0.401 370 HB THR 66 HB THR 66 9.255 9.556 1.781 371 HG1 THR 66 HG1 THR 66 10.920 11.005 1.760 372 HG21 THR 66 HG21 THR 66 11.502 8.576 2.082 373 HG22 THR 66 HG22 THR 66 11.561 8.233 0.352 374 HG23 THR 66 HG23 THR 66 10.355 7.443 1.369 375 H ALA 67 HN ALA 67 10.559 7.454 -1.408 376 HA ALA 67 HA ALA 67 12.220 9.119 -3.018 377 HB1 ALA 67 HB1 ALA 67 11.817 6.128 -3.093 378 HB2 ALA 67 HB2 ALA 67 13.027 6.990 -2.144 379 HB3 ALA 67 HB3 ALA 67 13.107 7.009 -3.906 380 H ALA 68 HN ALA 68 9.431 7.036 -3.633 381 HA ALA 68 HA ALA 68 9.330 7.106 -6.401 382 HB1 ALA 68 HB1 ALA 68 6.921 6.709 -6.177 383 HB2 ALA 68 HB2 ALA 68 7.017 7.130 -4.468 384 HB3 ALA 68 HB3 ALA 68 7.858 5.703 -5.072 385 H VAL 69 HN VAL 69 7.842 9.350 -4.081 386 HA VAL 69 HA VAL 69 6.650 11.056 -5.964 387 HB VAL 69 HB VAL 69 7.626 11.764 -3.190 388 HG11 VAL 69 HG11 VAL 69 5.934 13.533 -3.274 389 HG12 VAL 69 HG12 VAL 69 5.546 13.083 -4.934 390 HG13 VAL 69 HG13 VAL 69 7.138 13.735 -4.547 391 HG21 VAL 69 HG21 VAL 69 6.112 9.849 -3.162 392 HG22 VAL 69 HG22 VAL 69 4.930 10.765 -4.097 393 HG23 VAL 69 HG23 VAL 69 5.348 11.276 -2.462 394 H TYR 70 HN TYR 70 9.833 11.107 -4.432 395 HA TYR 70 HA TYR 70 10.598 13.673 -5.340 396 HB2 TYR 70 HB2 TYR 70 11.616 12.344 -3.432 397 HB3 TYR 70 HB1 TYR 70 12.467 11.407 -4.655 398 HD1 TYR 70 HD2 TYR 70 11.888 14.989 -3.741 399 HD2 TYR 70 HD1 TYR 70 14.625 12.062 -5.180 400 HE1 TYR 70 HE2 TYR 70 13.667 16.684 -3.784 401 HE2 TYR 70 HE1 TYR 70 16.414 13.752 -5.220 402 HH TYR 70 HH TYR 70 16.658 16.173 -5.331 403 H TRP 71 HN TRP 71 11.076 10.423 -6.680 404 HA TRP 71 HA TRP 71 12.753 11.292 -8.806 405 HB2 TRP 71 HB2 TRP 71 11.043 8.803 -8.630 406 HB3 TRP 71 HB1 TRP 71 12.311 9.086 -9.816 407 HD1 TRP 71 HD1 TRP 71 12.112 6.757 -7.438 408 HE1 TRP 71 HE1 TRP 71 14.192 6.427 -5.962 409 HE3 TRP 71 HE3 TRP 71 14.430 11.246 -8.268 410 HZ2 TRP 71 HZ2 TRP 71 16.502 7.878 -5.237 411 HZ3 TRP 71 HZ3 TRP 71 16.560 11.694 -7.135 412 HH2 TRP 71 HH2 TRP 71 17.577 10.044 -5.654 413 H ILE 72 HN ILE 72 9.268 10.685 -8.562 414 HA ILE 72 HA ILE 72 8.731 11.200 -11.305 415 HB ILE 72 HB ILE 72 6.842 11.342 -8.947 416 HG12 ILE 72 HG12 ILE 72 7.829 9.152 -9.088 417 HG13 ILE 72 HG11 ILE 72 6.188 9.054 -9.717 418 HG21 ILE 72 HG21 ILE 72 6.249 11.084 -11.895 419 HG22 ILE 72 HG22 ILE 72 5.944 12.504 -10.897 420 HG23 ILE 72 HG23 ILE 72 5.062 11.008 -10.595 421 HD11 ILE 72 HD11 ILE 72 8.715 9.177 -11.344 422 HD12 ILE 72 HD12 ILE 72 7.078 9.134 -12.000 423 HD13 ILE 72 HD13 ILE 72 7.697 7.760 -11.082 424 H LYS 73 HN LYS 73 9.047 13.230 -8.492 425 HA LYS 73 HA LYS 73 7.823 15.565 -9.501 426 HB2 LYS 73 HB2 LYS 73 8.539 15.099 -7.107 427 HB3 LYS 73 HB1 LYS 73 10.180 15.471 -7.613 428 HG2 LYS 73 HG2 LYS 73 9.160 17.388 -6.546 429 HG3 LYS 73 HG1 LYS 73 9.466 17.725 -8.252 430 HD2 LYS 73 HD2 LYS 73 7.261 18.540 -7.539 431 HD3 LYS 73 HD1 LYS 73 7.128 17.288 -8.776 432 HE2 LYS 73 HE2 LYS 73 6.794 15.633 -6.913 433 HE3 LYS 73 HE1 LYS 73 6.676 17.006 -5.812 434 HZ1 LYS 73 HZ1 LYS 73 4.765 17.795 -6.992 435 HZ2 LYS 73 HZ2 LYS 73 4.507 16.170 -6.590 436 HZ3 LYS 73 HZ3 LYS 73 4.931 16.595 -8.178 437 H THR 74 HN THR 74 10.792 14.005 -10.189 438 HA THR 74 HA THR 74 12.000 16.356 -11.397 439 HB THR 74 HB THR 74 13.073 13.525 -11.310 440 HG1 THR 74 HG1 THR 74 12.915 14.106 -9.194 441 HG21 THR 74 HG21 THR 74 15.259 14.635 -11.565 442 HG22 THR 74 HG22 THR 74 14.444 16.195 -11.698 443 HG23 THR 74 HG23 THR 74 14.200 14.962 -12.938 444 H TYR 75 HN TYR 75 9.870 13.909 -12.300 445 HA TYR 75 HA TYR 75 10.655 13.727 -15.061 446 HB2 TYR 75 HB2 TYR 75 9.460 11.853 -14.128 447 HB3 TYR 75 HB1 TYR 75 8.144 12.887 -13.592 448 HD1 TYR 75 HD1 TYR 75 9.876 11.839 -16.739 449 HD2 TYR 75 HD2 TYR 75 6.235 13.009 -14.878 450 HE1 TYR 75 HE1 TYR 75 8.666 11.397 -18.837 451 HE2 TYR 75 HE2 TYR 75 5.016 12.572 -16.965 452 HH TYR 75 HH TYR 75 6.423 10.902 -19.617 453 H GLN 76 HN GLN 76 10.786 15.803 -15.812 454 HA GLN 76 HA GLN 76 8.226 17.117 -16.328 455 HB2 GLN 76 HB2 GLN 76 10.684 18.479 -15.213 456 HB3 GLN 76 HB1 GLN 76 9.315 19.338 -15.901 457 HG2 GLN 76 HG2 GLN 76 9.112 17.484 -13.546 458 HG3 GLN 76 HG1 GLN 76 9.363 19.223 -13.412 459 HE21 GLN 76 HE21 GLN 76 7.448 19.546 -12.332 460 HE22 GLN 76 HE22 GLN 76 5.901 19.432 -13.100 Start of MODEL 8 1 H1 LYS 19 HT1 LYS 19 1.335 0.124 0.999 2 H2 LYS 19 HT2 LYS 19 -0.206 -0.285 0.424 3 H3 LYS 19 HT3 LYS 19 0.356 1.304 0.277 4 HA LYS 19 HA LYS 19 2.122 0.551 -1.212 5 HB2 LYS 19 HB2 LYS 19 1.665 -1.886 -0.119 6 HB3 LYS 19 HB1 LYS 19 0.741 -2.042 -1.606 7 HG2 LYS 19 HG2 LYS 19 2.809 -2.873 -2.190 8 HG3 LYS 19 HG1 LYS 19 2.887 -1.206 -2.761 9 HD2 LYS 19 HD2 LYS 19 4.945 -1.640 -1.675 10 HD3 LYS 19 HD1 LYS 19 4.007 -0.629 -0.578 11 HE2 LYS 19 HE2 LYS 19 4.018 -3.625 -0.360 12 HE3 LYS 19 HE1 LYS 19 5.255 -2.637 0.410 13 HZ1 LYS 19 HZ1 LYS 19 3.493 -1.483 1.636 14 HZ2 LYS 19 HZ2 LYS 19 3.497 -3.146 1.958 15 HZ3 LYS 19 HZ3 LYS 19 2.327 -2.490 0.923 16 H ASP 20 HN ASP 20 -0.729 1.622 -1.035 17 HA ASP 20 HA ASP 20 -1.477 1.092 -3.830 18 HB2 ASP 20 HB2 ASP 20 -3.869 1.178 -3.136 19 HB3 ASP 20 HB1 ASP 20 -2.996 -0.197 -2.469 20 H LYS 21 HN LYS 21 -0.063 3.309 -2.376 21 HA LYS 21 HA LYS 21 -1.883 5.539 -2.515 22 HB2 LYS 21 HB2 LYS 21 1.132 5.536 -2.251 23 HB3 LYS 21 HB1 LYS 21 0.078 6.922 -2.018 24 HG2 LYS 21 HG2 LYS 21 0.235 4.447 -0.318 25 HG3 LYS 21 HG1 LYS 21 0.723 6.084 0.121 26 HD2 LYS 21 HD2 LYS 21 -2.098 5.245 -0.541 27 HD3 LYS 21 HD1 LYS 21 -1.456 5.415 1.092 28 HE2 LYS 21 HE2 LYS 21 -1.137 7.758 0.804 29 HE3 LYS 21 HE1 LYS 21 -1.476 7.651 -0.924 30 HZ1 LYS 21 HZ1 LYS 21 -3.355 8.518 0.383 31 HZ2 LYS 21 HZ2 LYS 21 -3.441 7.040 1.218 32 HZ3 LYS 21 HZ3 LYS 21 -3.742 7.091 -0.448 33 H ASP 22 HN ASP 22 -2.395 6.608 -4.310 34 HA ASP 22 HA ASP 22 -1.062 5.970 -6.772 35 HB2 ASP 22 HB2 ASP 22 -2.687 7.559 -7.807 36 HB3 ASP 22 HB1 ASP 22 -3.436 6.252 -6.901 37 H LEU 23 HN LEU 23 0.547 6.967 -7.665 38 HA LEU 23 HA LEU 23 1.592 9.379 -6.397 39 HB2 LEU 23 HB2 LEU 23 3.001 7.346 -6.737 40 HB3 LEU 23 HB1 LEU 23 2.835 7.564 -8.465 41 HG LEU 23 HG LEU 23 4.014 9.731 -8.289 42 HD11 LEU 23 HD11 LEU 23 4.420 8.924 -5.409 43 HD12 LEU 23 HD12 LEU 23 3.441 10.277 -5.977 44 HD13 LEU 23 HD13 LEU 23 5.188 10.290 -6.220 45 HD21 LEU 23 HD21 LEU 23 6.226 8.776 -7.884 46 HD22 LEU 23 HD22 LEU 23 5.223 7.685 -8.841 47 HD23 LEU 23 HD23 LEU 23 5.483 7.367 -7.125 48 H LEU 24 HN LEU 24 0.022 8.354 -9.273 49 HA LEU 24 HA LEU 24 0.539 10.955 -10.545 50 HB2 LEU 24 HB2 LEU 24 0.386 8.269 -11.930 51 HB3 LEU 24 HB1 LEU 24 0.577 9.820 -12.727 52 HG LEU 24 HG LEU 24 2.581 8.714 -10.765 53 HD11 LEU 24 HD11 LEU 24 3.920 8.039 -12.655 54 HD12 LEU 24 HD12 LEU 24 2.679 8.603 -13.772 55 HD13 LEU 24 HD13 LEU 24 2.354 7.228 -12.717 56 HD21 LEU 24 HD21 LEU 24 4.067 10.379 -11.737 57 HD22 LEU 24 HD22 LEU 24 2.619 11.144 -11.082 58 HD23 LEU 24 HD23 LEU 24 2.782 10.910 -12.823 59 H LYS 25 HN LYS 25 -1.156 11.366 -12.328 60 HA LYS 25 HA LYS 25 -3.786 10.493 -11.305 61 HB2 LYS 25 HB2 LYS 25 -3.020 13.161 -12.510 62 HB3 LYS 25 HB1 LYS 25 -4.648 12.698 -12.052 63 HG2 LYS 25 HG2 LYS 25 -2.398 12.780 -10.070 64 HG3 LYS 25 HG1 LYS 25 -3.356 14.205 -10.467 65 HD2 LYS 25 HD2 LYS 25 -4.485 13.407 -8.627 66 HD3 LYS 25 HD1 LYS 25 -5.375 12.620 -9.931 67 HE2 LYS 25 HE2 LYS 25 -4.010 10.603 -9.622 68 HE3 LYS 25 HE1 LYS 25 -3.162 11.395 -8.293 69 HZ1 LYS 25 HZ1 LYS 25 -5.485 11.663 -7.293 70 HZ2 LYS 25 HZ2 LYS 25 -4.767 10.128 -7.252 71 HZ3 LYS 25 HZ3 LYS 25 -5.965 10.473 -8.407 72 H GLY 26 HN GLY 26 -4.710 9.152 -12.738 73 HA2 GLY 26 HA2 GLY 26 -5.569 8.326 -14.696 74 HA3 GLY 26 HA1 GLY 26 -5.793 10.016 -15.103 75 H LEU 27 HN LEU 27 -3.205 7.548 -15.086 76 HA LEU 27 HA LEU 27 -2.278 8.721 -17.619 77 HB2 LEU 27 HB2 LEU 27 -0.839 7.818 -15.253 78 HB3 LEU 27 HB1 LEU 27 -0.223 7.104 -16.730 79 HG LEU 27 HG LEU 27 0.009 9.419 -17.667 80 HD11 LEU 27 HD11 LEU 27 0.027 11.289 -16.096 81 HD12 LEU 27 HD12 LEU 27 -0.572 10.222 -14.825 82 HD13 LEU 27 HD13 LEU 27 -1.578 10.568 -16.233 83 HD21 LEU 27 HD21 LEU 27 2.032 9.939 -16.390 84 HD22 LEU 27 HD22 LEU 27 1.917 8.221 -16.774 85 HD23 LEU 27 HD23 LEU 27 1.532 8.790 -15.151 86 H ASP 28 HN ASP 28 -2.080 7.479 -19.383 87 HA ASP 28 HA ASP 28 -3.129 4.795 -19.360 88 HB2 ASP 28 HB2 ASP 28 -3.465 6.390 -21.262 89 HB3 ASP 28 HB1 ASP 28 -1.742 6.282 -21.608 90 H GLN 29 HN GLN 29 -1.843 3.008 -20.421 91 HA GLN 29 HA GLN 29 0.404 2.417 -18.887 92 HB2 GLN 29 HB2 GLN 29 -0.949 0.683 -19.913 93 HB3 GLN 29 HB1 GLN 29 -0.482 1.227 -21.518 94 HG2 GLN 29 HG2 GLN 29 1.795 0.555 -21.137 95 HG3 GLN 29 HG1 GLN 29 1.427 0.141 -19.461 96 HE21 GLN 29 HE21 GLN 29 0.306 -1.734 -19.008 97 HE22 GLN 29 HE22 GLN 29 0.066 -2.983 -20.185 98 H GLU 30 HN GLU 30 0.182 3.813 -22.143 99 HA GLU 30 HA GLU 30 2.961 3.609 -22.697 100 HB2 GLU 30 HB2 GLU 30 2.507 5.343 -24.459 101 HB3 GLU 30 HB1 GLU 30 1.525 3.890 -24.563 102 HG2 GLU 30 HG2 GLU 30 -0.382 5.010 -23.726 103 HG3 GLU 30 HG1 GLU 30 0.571 6.418 -23.253 104 H GLN 31 HN GLN 31 0.998 6.135 -21.197 105 HA GLN 31 HA GLN 31 3.157 7.996 -20.970 106 HB2 GLN 31 HB2 GLN 31 0.390 7.819 -19.871 107 HB3 GLN 31 HB1 GLN 31 1.530 8.886 -19.068 108 HG2 GLN 31 HG2 GLN 31 0.218 10.124 -20.661 109 HG3 GLN 31 HG1 GLN 31 1.900 10.070 -21.181 110 HE21 GLN 31 HE21 GLN 31 2.439 8.954 -23.035 111 HE22 GLN 31 HE22 GLN 31 1.253 8.356 -24.154 112 H ALA 32 HN ALA 32 1.786 5.502 -18.915 113 HA ALA 32 HA ALA 32 3.245 6.115 -16.579 114 HB1 ALA 32 HB1 ALA 32 2.612 3.909 -15.800 115 HB2 ALA 32 HB2 ALA 32 2.173 3.429 -17.440 116 HB3 ALA 32 HB3 ALA 32 1.249 4.679 -16.610 117 H ASN 33 HN ASN 33 4.029 4.308 -19.462 118 HA ASN 33 HA ASN 33 6.259 2.883 -18.545 119 HB2 ASN 33 HB2 ASN 33 5.213 2.476 -20.740 120 HB3 ASN 33 HB1 ASN 33 5.811 4.034 -21.305 121 HD21 ASN 33 HD21 ASN 33 6.688 0.784 -20.409 122 HD22 ASN 33 HD22 ASN 33 8.272 0.805 -21.101 123 H GLU 34 HN GLU 34 5.912 6.195 -19.628 124 HA GLU 34 HA GLU 34 8.624 6.883 -19.848 125 HB2 GLU 34 HB2 GLU 34 6.241 8.583 -19.093 126 HB3 GLU 34 HB1 GLU 34 7.821 9.218 -19.526 127 HG2 GLU 34 HG2 GLU 34 6.056 7.575 -21.323 128 HG3 GLU 34 HG1 GLU 34 6.217 9.330 -21.373 129 H VAL 35 HN VAL 35 6.430 6.778 -17.114 130 HA VAL 35 HA VAL 35 8.297 8.072 -15.344 131 HB VAL 35 HB VAL 35 5.652 6.728 -14.762 132 HG11 VAL 35 HG11 VAL 35 5.741 7.860 -12.606 133 HG12 VAL 35 HG12 VAL 35 7.343 8.490 -12.991 134 HG13 VAL 35 HG13 VAL 35 7.101 6.754 -12.792 135 HG21 VAL 35 HG21 VAL 35 4.806 9.025 -14.574 136 HG22 VAL 35 HG22 VAL 35 5.433 8.688 -16.189 137 HG23 VAL 35 HG23 VAL 35 6.389 9.641 -15.051 138 H ILE 36 HN ILE 36 7.015 4.761 -15.759 139 HA ILE 36 HA ILE 36 8.349 3.663 -13.530 140 HB ILE 36 HB ILE 36 6.467 2.530 -14.680 141 HG12 ILE 36 HG12 ILE 36 8.986 0.860 -14.543 142 HG13 ILE 36 HG11 ILE 36 7.985 1.296 -13.163 143 HG21 ILE 36 HG21 ILE 36 6.874 1.230 -16.705 144 HG22 ILE 36 HG22 ILE 36 8.509 1.887 -16.800 145 HG23 ILE 36 HG23 ILE 36 7.118 2.955 -16.983 146 HD11 ILE 36 HD11 ILE 36 7.134 -0.396 -15.503 147 HD12 ILE 36 HD12 ILE 36 6.121 0.047 -14.130 148 HD13 ILE 36 HD13 ILE 36 7.540 -0.973 -13.886 149 H ALA 37 HN ALA 37 9.397 4.289 -16.807 150 HA ALA 37 HA ALA 37 11.778 2.806 -16.816 151 HB1 ALA 37 HB1 ALA 37 11.254 5.459 -18.158 152 HB2 ALA 37 HB2 ALA 37 10.831 3.880 -18.819 153 HB3 ALA 37 HB3 ALA 37 12.524 4.309 -18.573 154 H VAL 38 HN VAL 38 11.057 6.080 -15.678 155 HA VAL 38 HA VAL 38 13.652 6.771 -14.863 156 HB VAL 38 HB VAL 38 10.923 7.754 -14.088 157 HG11 VAL 38 HG11 VAL 38 11.937 9.439 -12.626 158 HG12 VAL 38 HG12 VAL 38 13.508 8.661 -12.815 159 HG13 VAL 38 HG13 VAL 38 12.196 7.812 -11.997 160 HG21 VAL 38 HG21 VAL 38 11.773 9.832 -15.041 161 HG22 VAL 38 HG22 VAL 38 11.950 8.496 -16.181 162 HG23 VAL 38 HG23 VAL 38 13.351 9.082 -15.281 163 H LEU 39 HN LEU 39 10.982 5.283 -13.038 164 HA LEU 39 HA LEU 39 12.244 5.146 -10.562 165 HB2 LEU 39 HB2 LEU 39 10.109 3.506 -11.862 166 HB3 LEU 39 HB1 LEU 39 10.767 2.991 -10.324 167 HG LEU 39 HG LEU 39 8.721 4.219 -9.969 168 HD11 LEU 39 HD11 LEU 39 9.527 5.982 -8.459 169 HD12 LEU 39 HD12 LEU 39 11.142 5.805 -9.146 170 HD13 LEU 39 HD13 LEU 39 10.404 4.465 -8.267 171 HD21 LEU 39 HD21 LEU 39 10.053 6.519 -11.385 172 HD22 LEU 39 HD22 LEU 39 8.491 6.570 -10.569 173 HD23 LEU 39 HD23 LEU 39 8.705 5.559 -11.998 174 H GLN 40 HN GLN 40 12.182 2.652 -13.121 175 HA GLN 40 HA GLN 40 13.893 0.896 -11.689 176 HB2 GLN 40 HB2 GLN 40 12.984 0.999 -14.549 177 HB3 GLN 40 HB1 GLN 40 14.165 -0.188 -14.009 178 HG2 GLN 40 HG2 GLN 40 11.429 0.158 -12.803 179 HG3 GLN 40 HG1 GLN 40 11.833 -1.025 -14.046 180 HE21 GLN 40 HE21 GLN 40 11.281 -2.750 -12.690 181 HE22 GLN 40 HE22 GLN 40 12.285 -3.229 -11.364 182 H MET 41 HN MET 41 14.505 3.509 -13.943 183 HA MET 41 HA MET 41 17.231 2.863 -14.433 184 HB2 MET 41 HB2 MET 41 15.787 4.443 -15.796 185 HB3 MET 41 HB1 MET 41 16.014 5.625 -14.515 186 HG2 MET 41 HG2 MET 41 17.545 6.027 -16.348 187 HG3 MET 41 HG1 MET 41 18.425 5.577 -14.887 188 HE1 MET 41 HE1 MET 41 20.569 5.171 -16.375 189 HE2 MET 41 HE2 MET 41 19.690 5.537 -17.861 190 HE3 MET 41 HE3 MET 41 20.629 4.050 -17.734 191 H HIS 42 HN HIS 42 15.579 4.223 -11.770 192 HA HIS 42 HA HIS 42 18.043 5.302 -10.602 193 HB2 HIS 42 HB2 HIS 42 15.135 5.564 -9.853 194 HB3 HIS 42 HB1 HIS 42 16.421 6.043 -8.753 195 HD1 HIS 42 HD1 HIS 42 15.108 6.896 -12.215 196 HD2 HIS 42 HD2 HIS 42 17.375 8.559 -9.164 197 HE1 HIS 42 HE1 HIS 42 15.493 9.294 -12.880 198 HE2 HIS 42 HE2 HIS 42 16.946 10.255 -11.062 199 H ASN 43 HN ASN 43 16.772 2.407 -10.905 200 HA ASN 43 HA ASN 43 16.978 0.416 -9.856 201 HB2 ASN 43 HB2 ASN 43 19.047 1.964 -8.299 202 HB3 ASN 43 HB1 ASN 43 18.775 0.240 -8.081 203 HD21 ASN 43 HD21 ASN 43 20.032 2.703 -10.155 204 HD22 ASN 43 HD22 ASN 43 20.804 1.642 -11.283 205 H ILE 44 HN ILE 44 14.934 2.268 -8.897 206 HA ILE 44 HA ILE 44 14.668 1.227 -6.159 207 HB ILE 44 HB ILE 44 14.663 3.666 -6.182 208 HG12 ILE 44 HG12 ILE 44 11.911 2.507 -5.673 209 HG13 ILE 44 HG11 ILE 44 13.251 2.529 -4.533 210 HG21 ILE 44 HG21 ILE 44 13.915 4.041 -8.455 211 HG22 ILE 44 HG22 ILE 44 12.893 4.922 -7.319 212 HG23 ILE 44 HG23 ILE 44 12.312 3.424 -8.049 213 HD11 ILE 44 HD11 ILE 44 11.587 4.250 -4.050 214 HD12 ILE 44 HD12 ILE 44 11.872 4.963 -5.638 215 HD13 ILE 44 HD13 ILE 44 13.162 4.945 -4.435 216 H GLU 45 HN GLU 45 12.754 0.234 -5.564 217 HA GLU 45 HA GLU 45 11.528 -1.349 -7.520 218 HB2 GLU 45 HB2 GLU 45 11.746 -1.891 -5.083 219 HB3 GLU 45 HB1 GLU 45 10.467 -0.726 -4.764 220 HG2 GLU 45 HG2 GLU 45 9.573 -2.965 -4.797 221 HG3 GLU 45 HG1 GLU 45 8.937 -2.033 -6.153 222 H ALA 46 HN ALA 46 9.782 -1.107 -8.726 223 HA ALA 46 HA ALA 46 7.990 1.165 -8.194 224 HB1 ALA 46 HB1 ALA 46 8.871 0.156 -10.900 225 HB2 ALA 46 HB2 ALA 46 9.408 1.651 -10.135 226 HB3 ALA 46 HB3 ALA 46 7.719 1.460 -10.606 227 H ASN 47 HN ASN 47 6.067 0.392 -7.620 228 HA ASN 47 HA ASN 47 5.235 -2.220 -8.687 229 HB2 ASN 47 HB2 ASN 47 4.261 -0.693 -6.260 230 HB3 ASN 47 HB1 ASN 47 3.603 -2.232 -6.800 231 HD21 ASN 47 HD21 ASN 47 6.237 -3.283 -7.556 232 HD22 ASN 47 HD22 ASN 47 7.036 -3.659 -6.070 233 H LYS 48 HN LYS 48 3.010 -2.465 -9.361 234 HA LYS 48 HA LYS 48 2.047 -0.018 -10.637 235 HB2 LYS 48 HB2 LYS 48 0.985 -2.807 -11.067 236 HB3 LYS 48 HB1 LYS 48 0.765 -1.401 -12.095 237 HG2 LYS 48 HG2 LYS 48 3.220 -1.449 -12.550 238 HG3 LYS 48 HG1 LYS 48 3.285 -2.986 -11.681 239 HD2 LYS 48 HD2 LYS 48 1.351 -3.656 -13.301 240 HD3 LYS 48 HD1 LYS 48 1.974 -2.332 -14.286 241 HE2 LYS 48 HE2 LYS 48 2.993 -4.391 -14.999 242 HE3 LYS 48 HE1 LYS 48 4.210 -3.387 -14.209 243 HZ1 LYS 48 HZ1 LYS 48 2.733 -5.571 -12.848 244 HZ2 LYS 48 HZ2 LYS 48 4.059 -4.703 -12.242 245 HZ3 LYS 48 HZ3 LYS 48 4.265 -5.762 -13.547 246 H ILE 49 HN ILE 49 0.055 0.833 -10.269 247 HA ILE 49 HA ILE 49 -1.684 -0.591 -8.372 248 HB ILE 49 HB ILE 49 -2.665 1.858 -8.102 249 HG12 ILE 49 HG12 ILE 49 0.258 2.330 -8.732 250 HG13 ILE 49 HG11 ILE 49 -1.110 2.898 -9.681 251 HG21 ILE 49 HG21 ILE 49 -0.231 0.818 -6.667 252 HG22 ILE 49 HG22 ILE 49 -1.915 0.472 -6.275 253 HG23 ILE 49 HG23 ILE 49 -1.280 2.106 -6.080 254 HD11 ILE 49 HD11 ILE 49 -0.180 4.681 -8.346 255 HD12 ILE 49 HD12 ILE 49 -0.425 3.736 -6.876 256 HD13 ILE 49 HD13 ILE 49 -1.815 4.298 -7.806 257 H ASP 50 HN ASP 50 -2.790 -1.680 -9.947 258 HA ASP 50 HA ASP 50 -3.998 -0.234 -12.135 259 HB2 ASP 50 HB2 ASP 50 -5.021 -2.506 -12.664 260 HB3 ASP 50 HB1 ASP 50 -3.268 -2.396 -12.748 261 H SER 51 HN SER 51 -5.783 0.831 -11.948 262 HA SER 51 HA SER 51 -8.056 -0.255 -10.528 263 HB2 SER 51 HB2 SER 51 -6.848 2.410 -9.726 264 HB3 SER 51 HB1 SER 51 -8.388 1.775 -9.150 265 HG SER 51 HG SER 51 -6.431 -0.045 -8.785 266 H GLY 52 HN GLY 52 -9.975 0.477 -11.384 267 HA2 GLY 52 HA2 GLY 52 -9.964 1.605 -13.959 268 HA3 GLY 52 HA1 GLY 52 -11.380 1.429 -12.932 269 H LYS 53 HN LYS 53 -10.354 3.069 -10.799 270 HA LYS 53 HA LYS 53 -11.213 5.627 -11.586 271 HB2 LYS 53 HB2 LYS 53 -10.176 6.347 -9.381 272 HB3 LYS 53 HB1 LYS 53 -11.371 5.059 -9.281 273 HG2 LYS 53 HG2 LYS 53 -9.788 3.443 -8.810 274 HG3 LYS 53 HG1 LYS 53 -8.471 4.386 -9.503 275 HD2 LYS 53 HD2 LYS 53 -9.934 5.221 -7.008 276 HD3 LYS 53 HD1 LYS 53 -8.509 4.180 -6.978 277 HE2 LYS 53 HE2 LYS 53 -7.327 5.988 -8.304 278 HE3 LYS 53 HE1 LYS 53 -8.709 7.024 -7.944 279 HZ1 LYS 53 HZ1 LYS 53 -8.274 6.727 -5.581 280 HZ2 LYS 53 HZ2 LYS 53 -6.914 7.354 -6.361 281 HZ3 LYS 53 HZ3 LYS 53 -6.954 5.718 -5.928 282 H LEU 54 HN LEU 54 -8.106 4.124 -11.827 283 HA LEU 54 HA LEU 54 -6.809 6.759 -12.050 284 HB2 LEU 54 HB2 LEU 54 -6.152 5.417 -10.091 285 HB3 LEU 54 HB1 LEU 54 -5.617 4.138 -11.161 286 HG LEU 54 HG LEU 54 -3.902 5.644 -12.090 287 HD11 LEU 54 HD11 LEU 54 -3.431 7.768 -10.995 288 HD12 LEU 54 HD12 LEU 54 -4.844 7.558 -9.961 289 HD13 LEU 54 HD13 LEU 54 -5.048 7.764 -11.700 290 HD21 LEU 54 HD21 LEU 54 -2.443 5.640 -10.146 291 HD22 LEU 54 HD22 LEU 54 -3.378 4.147 -10.223 292 HD23 LEU 54 HD23 LEU 54 -3.832 5.414 -9.083 293 H GLY 55 HN GLY 55 -6.607 3.412 -13.238 294 HA2 GLY 55 HA2 GLY 55 -6.181 2.917 -15.557 295 HA3 GLY 55 HA1 GLY 55 -5.310 4.444 -15.674 296 H TYR 56 HN TYR 56 -3.168 4.275 -15.691 297 HA TYR 56 HA TYR 56 -1.949 2.127 -14.093 298 HB2 TYR 56 HB2 TYR 56 -1.173 3.014 -16.873 299 HB3 TYR 56 HB1 TYR 56 -0.133 2.030 -15.845 300 HD1 TYR 56 HD2 TYR 56 -0.940 -0.231 -15.114 301 HD2 TYR 56 HD1 TYR 56 -2.936 2.036 -18.108 302 HE1 TYR 56 HE2 TYR 56 -2.076 -2.267 -15.886 303 HE2 TYR 56 HE1 TYR 56 -4.084 0.006 -18.886 304 HH TYR 56 HH TYR 56 -4.112 -2.889 -17.104 305 H SER 57 HN SER 57 -0.669 2.884 -12.580 306 HA SER 57 HA SER 57 1.098 5.108 -13.135 307 HB2 SER 57 HB2 SER 57 -0.906 5.172 -10.866 308 HB3 SER 57 HB1 SER 57 0.443 6.297 -11.046 309 HG SER 57 HG SER 57 -1.023 6.114 -13.326 310 H ILE 58 HN ILE 58 2.529 5.483 -11.118 311 HA ILE 58 HA ILE 58 3.508 2.835 -10.367 312 HB ILE 58 HB ILE 58 4.912 5.477 -9.930 313 HG12 ILE 58 HG12 ILE 58 4.361 5.221 -12.325 314 HG13 ILE 58 HG11 ILE 58 6.091 5.095 -12.037 315 HG21 ILE 58 HG21 ILE 58 5.794 3.616 -8.652 316 HG22 ILE 58 HG22 ILE 58 6.928 4.075 -9.921 317 HG23 ILE 58 HG23 ILE 58 5.921 2.641 -10.116 318 HD11 ILE 58 HD11 ILE 58 5.356 3.455 -13.664 319 HD12 ILE 58 HD12 ILE 58 4.197 2.802 -12.506 320 HD13 ILE 58 HD13 ILE 58 5.927 2.656 -12.198 321 H THR 59 HN THR 59 3.736 2.168 -8.286 322 HA THR 59 HA THR 59 3.301 4.134 -6.156 323 HB THR 59 HB THR 59 1.215 2.695 -6.544 324 HG1 THR 59 HG1 THR 59 1.291 3.681 -4.598 325 HG21 THR 59 HG21 THR 59 2.385 0.570 -6.949 326 HG22 THR 59 HG22 THR 59 1.250 0.442 -5.606 327 HG23 THR 59 HG23 THR 59 2.978 0.586 -5.288 328 H VAL 60 HN VAL 60 4.160 3.256 -4.038 329 HA VAL 60 HA VAL 60 6.398 1.407 -4.439 330 HB VAL 60 HB VAL 60 7.893 2.941 -3.135 331 HG11 VAL 60 HG11 VAL 60 8.417 4.424 -5.031 332 HG12 VAL 60 HG12 VAL 60 6.892 3.964 -5.786 333 HG13 VAL 60 HG13 VAL 60 8.150 2.755 -5.537 334 HG21 VAL 60 HG21 VAL 60 6.205 4.346 -2.108 335 HG22 VAL 60 HG22 VAL 60 5.710 4.944 -3.691 336 HG23 VAL 60 HG23 VAL 60 7.312 5.331 -3.066 337 H ALA 61 HN ALA 61 7.502 0.996 -2.251 338 HA ALA 61 HA ALA 61 5.547 0.115 -0.392 339 HB1 ALA 61 HB1 ALA 61 7.447 -0.567 0.993 340 HB2 ALA 61 HB2 ALA 61 8.541 0.326 -0.065 341 HB3 ALA 61 HB3 ALA 61 7.661 -1.072 -0.683 342 H GLU 62 HN GLU 62 5.560 0.732 1.919 343 HA GLU 62 HA GLU 62 4.791 3.369 2.177 344 HB2 GLU 62 HB2 GLU 62 5.601 1.376 4.289 345 HB3 GLU 62 HB1 GLU 62 4.899 2.941 4.665 346 HG2 GLU 62 HG2 GLU 62 3.203 1.243 4.763 347 HG3 GLU 62 HG1 GLU 62 2.879 2.316 3.407 348 HA PRO 63 HA PRO 63 8.946 4.536 4.284 349 HB2 PRO 63 HB2 PRO 63 11.064 2.877 4.124 350 HB3 PRO 63 HB1 PRO 63 9.855 2.741 5.405 351 HG2 PRO 63 HG2 PRO 63 10.119 1.159 2.877 352 HG3 PRO 63 HG1 PRO 63 9.771 0.591 4.521 353 HD2 PRO 63 HD2 PRO 63 7.843 0.949 2.639 354 HD3 PRO 63 HD1 PRO 63 7.546 1.152 4.377 355 H ASP 64 HN ASP 64 8.616 3.203 1.180 356 HA ASP 64 HA ASP 64 10.995 4.578 0.150 357 HB2 ASP 64 HB2 ASP 64 9.082 2.661 -1.208 358 HB3 ASP 64 HB1 ASP 64 10.468 3.413 -1.989 359 H PHE 65 HN PHE 65 7.934 5.342 0.865 360 HA PHE 65 HA PHE 65 6.767 6.438 -1.398 361 HB2 PHE 65 HB2 PHE 65 5.564 6.145 0.703 362 HB3 PHE 65 HB1 PHE 65 6.566 7.368 1.474 363 HD1 PHE 65 HD2 PHE 65 4.034 6.838 -1.173 364 HD2 PHE 65 HD1 PHE 65 6.013 9.638 1.349 365 HE1 PHE 65 HE2 PHE 65 2.422 8.572 -1.840 366 HE2 PHE 65 HE1 PHE 65 4.404 11.376 0.688 367 HZ PHE 65 HZ PHE 65 2.606 10.846 -0.909 368 H THR 66 HN THR 66 8.948 8.002 0.932 369 HA THR 66 HA THR 66 8.784 10.574 -0.173 370 HB THR 66 HB THR 66 9.661 10.235 2.066 371 HG1 THR 66 HG1 THR 66 11.383 11.687 1.903 372 HG21 THR 66 HG21 THR 66 12.046 8.936 0.742 373 HG22 THR 66 HG22 THR 66 10.831 8.111 1.718 374 HG23 THR 66 HG23 THR 66 11.893 9.310 2.459 375 H ALA 67 HN ALA 67 10.858 7.843 -0.960 376 HA ALA 67 HA ALA 67 12.728 9.247 -2.547 377 HB1 ALA 67 HB1 ALA 67 13.385 7.057 -3.382 378 HB2 ALA 67 HB2 ALA 67 11.925 6.344 -2.696 379 HB3 ALA 67 HB3 ALA 67 13.160 7.019 -1.633 380 H ALA 68 HN ALA 68 9.729 7.533 -3.330 381 HA ALA 68 HA ALA 68 9.781 7.736 -6.108 382 HB1 ALA 68 HB1 ALA 68 7.371 7.489 -6.029 383 HB2 ALA 68 HB2 ALA 68 7.361 7.921 -4.319 384 HB3 ALA 68 HB3 ALA 68 8.132 6.425 -4.847 385 H VAL 69 HN VAL 69 8.690 10.065 -3.684 386 HA VAL 69 HA VAL 69 7.565 11.951 -5.429 387 HB VAL 69 HB VAL 69 8.885 12.462 -2.757 388 HG11 VAL 69 HG11 VAL 69 6.874 14.093 -4.303 389 HG12 VAL 69 HG12 VAL 69 8.562 14.515 -4.010 390 HG13 VAL 69 HG13 VAL 69 7.425 14.436 -2.664 391 HG21 VAL 69 HG21 VAL 69 6.020 11.807 -3.432 392 HG22 VAL 69 HG22 VAL 69 6.607 12.293 -1.842 393 HG23 VAL 69 HG23 VAL 69 7.156 10.778 -2.559 394 H TYR 70 HN TYR 70 10.853 11.698 -4.096 395 HA TYR 70 HA TYR 70 11.852 14.073 -5.209 396 HB2 TYR 70 HB2 TYR 70 13.178 11.540 -4.280 397 HB3 TYR 70 HB1 TYR 70 14.115 12.847 -4.997 398 HD1 TYR 70 HD1 TYR 70 13.990 15.141 -3.912 399 HD2 TYR 70 HD2 TYR 70 12.561 11.616 -2.009 400 HE1 TYR 70 HE1 TYR 70 14.100 16.280 -1.736 401 HE2 TYR 70 HE2 TYR 70 12.663 12.747 0.172 402 HH TYR 70 HH TYR 70 13.869 14.623 1.217 403 H TRP 71 HN TRP 71 11.721 10.785 -6.510 404 HA TRP 71 HA TRP 71 13.293 11.367 -8.801 405 HB2 TRP 71 HB2 TRP 71 11.260 9.157 -8.457 406 HB3 TRP 71 HB1 TRP 71 12.521 9.231 -9.681 407 HD1 TRP 71 HD1 TRP 71 12.117 6.943 -7.348 408 HE1 TRP 71 HE1 TRP 71 14.146 6.373 -5.874 409 HE3 TRP 71 HE3 TRP 71 14.907 11.184 -8.082 410 HZ2 TRP 71 HZ2 TRP 71 16.583 7.548 -5.116 411 HZ3 TRP 71 HZ3 TRP 71 17.072 11.370 -6.934 412 HH2 TRP 71 HH2 TRP 71 17.892 9.589 -5.483 413 H ILE 72 HN ILE 72 9.817 11.409 -8.170 414 HA ILE 72 HA ILE 72 9.020 11.893 -10.837 415 HB ILE 72 HB ILE 72 7.613 12.618 -8.263 416 HG12 ILE 72 HG12 ILE 72 7.982 10.225 -8.481 417 HG13 ILE 72 HG11 ILE 72 6.280 10.587 -8.743 418 HG21 ILE 72 HG21 ILE 72 6.755 13.963 -10.092 419 HG22 ILE 72 HG22 ILE 72 5.574 12.737 -9.630 420 HG23 ILE 72 HG23 ILE 72 6.551 12.518 -11.082 421 HD11 ILE 72 HD11 ILE 72 7.030 8.932 -10.322 422 HD12 ILE 72 HD12 ILE 72 8.329 9.994 -10.866 423 HD13 ILE 72 HD13 ILE 72 6.647 10.431 -11.170 424 H LYS 73 HN LYS 73 9.888 14.066 -8.183 425 HA LYS 73 HA LYS 73 9.265 16.514 -9.392 426 HB2 LYS 73 HB2 LYS 73 11.533 15.825 -7.524 427 HB3 LYS 73 HB1 LYS 73 11.096 17.462 -7.977 428 HG2 LYS 73 HG2 LYS 73 8.804 16.946 -7.008 429 HG3 LYS 73 HG1 LYS 73 9.563 15.513 -6.301 430 HD2 LYS 73 HD2 LYS 73 10.459 18.365 -5.917 431 HD3 LYS 73 HD1 LYS 73 9.589 17.388 -4.731 432 HE2 LYS 73 HE2 LYS 73 11.427 15.933 -4.446 433 HE3 LYS 73 HE1 LYS 73 12.240 16.557 -5.881 434 HZ1 LYS 73 HZ1 LYS 73 11.784 18.026 -3.335 435 HZ2 LYS 73 HZ2 LYS 73 12.485 18.690 -4.730 436 HZ3 LYS 73 HZ3 LYS 73 13.269 17.432 -3.910 437 H THR 74 HN THR 74 11.934 14.331 -9.839 438 HA THR 74 HA THR 74 13.502 16.267 -11.314 439 HB THR 74 HB THR 74 14.156 13.337 -11.054 440 HG1 THR 74 HG1 THR 74 13.713 14.056 -8.934 441 HG21 THR 74 HG21 THR 74 15.847 15.834 -11.146 442 HG22 THR 74 HG22 THR 74 15.582 14.724 -12.491 443 HG23 THR 74 HG23 THR 74 16.452 14.181 -11.056 444 H TYR 75 HN TYR 75 11.096 13.961 -11.937 445 HA TYR 75 HA TYR 75 11.870 13.337 -14.637 446 HB2 TYR 75 HB2 TYR 75 10.650 11.634 -13.527 447 HB3 TYR 75 HB1 TYR 75 9.419 12.765 -12.977 448 HD1 TYR 75 HD1 TYR 75 10.815 11.231 -16.073 449 HD2 TYR 75 HD2 TYR 75 7.457 13.031 -14.183 450 HE1 TYR 75 HE1 TYR 75 9.429 10.688 -18.028 451 HE2 TYR 75 HE2 TYR 75 6.063 12.491 -16.132 452 HH TYR 75 HH TYR 75 6.239 11.965 -18.431 453 H GLN 76 HN GLN 76 9.489 15.443 -13.062 454 HA GLN 76 HA GLN 76 8.407 16.305 -15.595 455 HB2 GLN 76 HB2 GLN 76 7.919 17.398 -12.820 456 HB3 GLN 76 HB1 GLN 76 6.978 17.773 -14.256 457 HG2 GLN 76 HG2 GLN 76 6.365 15.369 -14.407 458 HG3 GLN 76 HG1 GLN 76 7.188 15.111 -12.869 459 HE21 GLN 76 HE21 GLN 76 5.328 14.476 -11.797 460 HE22 GLN 76 HE22 GLN 76 4.061 15.580 -11.396 Start of MODEL 9 1 H1 LYS 19 HT1 LYS 19 1.569 -1.164 -1.886 2 H2 LYS 19 HT2 LYS 19 1.534 -1.511 -0.234 3 H3 LYS 19 HT3 LYS 19 1.876 0.058 -0.757 4 HA LYS 19 HA LYS 19 -0.687 -1.375 -1.118 5 HB2 LYS 19 HB2 LYS 19 0.297 -0.078 1.139 6 HB3 LYS 19 HB1 LYS 19 -0.702 1.143 0.364 7 HG2 LYS 19 HG2 LYS 19 -1.618 -1.632 1.107 8 HG3 LYS 19 HG1 LYS 19 -1.943 -0.161 2.025 9 HD2 LYS 19 HD2 LYS 19 -3.292 0.731 0.316 10 HD3 LYS 19 HD1 LYS 19 -2.725 -0.454 -0.860 11 HE2 LYS 19 HE2 LYS 19 -3.833 -2.225 0.500 12 HE3 LYS 19 HE1 LYS 19 -4.501 -0.953 1.523 13 HZ1 LYS 19 HZ1 LYS 19 -5.748 -0.097 -0.274 14 HZ2 LYS 19 HZ2 LYS 19 -5.995 -1.773 -0.298 15 HZ3 LYS 19 HZ3 LYS 19 -4.934 -1.056 -1.411 16 H ASP 20 HN ASP 20 -2.391 0.138 -1.889 17 HA ASP 20 HA ASP 20 -1.577 1.300 -4.326 18 HB2 ASP 20 HB2 ASP 20 -4.220 1.803 -2.975 19 HB3 ASP 20 HB1 ASP 20 -3.868 1.833 -4.693 20 H LYS 21 HN LYS 21 0.008 2.892 -3.540 21 HA LYS 21 HA LYS 21 -1.286 5.396 -2.693 22 HB2 LYS 21 HB2 LYS 21 1.656 4.738 -3.038 23 HB3 LYS 21 HB1 LYS 21 1.010 6.251 -2.419 24 HG2 LYS 21 HG2 LYS 21 0.649 3.563 -1.102 25 HG3 LYS 21 HG1 LYS 21 1.859 4.764 -0.649 26 HD2 LYS 21 HD2 LYS 21 -1.119 5.250 -0.630 27 HD3 LYS 21 HD1 LYS 21 -0.175 4.793 0.788 28 HE2 LYS 21 HE2 LYS 21 1.180 6.822 0.530 29 HE3 LYS 21 HE1 LYS 21 0.225 7.277 -0.880 30 HZ1 LYS 21 HZ1 LYS 21 -1.709 7.499 0.485 31 HZ2 LYS 21 HZ2 LYS 21 -0.458 8.400 1.193 32 HZ3 LYS 21 HZ3 LYS 21 -0.894 6.893 1.844 33 H ASP 22 HN ASP 22 -1.983 6.666 -4.303 34 HA ASP 22 HA ASP 22 -1.184 6.001 -6.993 35 HB2 ASP 22 HB2 ASP 22 -2.959 7.606 -7.678 36 HB3 ASP 22 HB1 ASP 22 -3.537 6.315 -6.633 37 H LEU 23 HN LEU 23 0.656 6.744 -7.628 38 HA LEU 23 HA LEU 23 1.665 9.338 -6.915 39 HB2 LEU 23 HB2 LEU 23 3.123 7.377 -7.253 40 HB3 LEU 23 HB1 LEU 23 2.627 7.305 -8.931 41 HG LEU 23 HG LEU 23 3.676 9.515 -9.311 42 HD11 LEU 23 HD11 LEU 23 3.498 10.344 -6.996 43 HD12 LEU 23 HD12 LEU 23 5.133 10.476 -7.642 44 HD13 LEU 23 HD13 LEU 23 4.736 9.185 -6.508 45 HD21 LEU 23 HD21 LEU 23 4.862 7.413 -9.757 46 HD22 LEU 23 HD22 LEU 23 5.506 7.440 -8.115 47 HD23 LEU 23 HD23 LEU 23 5.960 8.701 -9.261 48 H LEU 24 HN LEU 24 0.666 7.772 -9.941 49 HA LEU 24 HA LEU 24 0.557 10.359 -11.283 50 HB2 LEU 24 HB2 LEU 24 0.062 7.589 -12.388 51 HB3 LEU 24 HB1 LEU 24 0.267 9.058 -13.322 52 HG LEU 24 HG LEU 24 2.416 7.832 -11.591 53 HD11 LEU 24 HD11 LEU 24 2.047 7.706 -14.580 54 HD12 LEU 24 HD12 LEU 24 1.873 6.361 -13.452 55 HD13 LEU 24 HD13 LEU 24 3.448 7.119 -13.685 56 HD21 LEU 24 HD21 LEU 24 2.680 10.227 -11.878 57 HD22 LEU 24 HD22 LEU 24 2.495 10.059 -13.624 58 HD23 LEU 24 HD23 LEU 24 3.900 9.363 -12.815 59 H LYS 25 HN LYS 25 -1.399 10.803 -12.659 60 HA LYS 25 HA LYS 25 -3.850 9.520 -11.705 61 HB2 LYS 25 HB2 LYS 25 -3.499 12.527 -11.839 62 HB3 LYS 25 HB1 LYS 25 -5.005 11.692 -11.508 63 HG2 LYS 25 HG2 LYS 25 -4.371 12.282 -9.400 64 HG3 LYS 25 HG1 LYS 25 -3.648 10.676 -9.509 65 HD2 LYS 25 HD2 LYS 25 -1.494 11.657 -10.062 66 HD3 LYS 25 HD1 LYS 25 -2.206 13.271 -10.057 67 HE2 LYS 25 HE2 LYS 25 -1.000 12.833 -7.983 68 HE3 LYS 25 HE1 LYS 25 -2.723 13.048 -7.683 69 HZ1 LYS 25 HZ1 LYS 25 -2.982 10.674 -7.492 70 HZ2 LYS 25 HZ2 LYS 25 -1.765 11.182 -6.437 71 HZ3 LYS 25 HZ3 LYS 25 -1.357 10.420 -7.887 72 H GLY 26 HN GLY 26 -4.767 8.736 -13.497 73 HA2 GLY 26 HA2 GLY 26 -5.977 8.873 -15.457 74 HA3 GLY 26 HA1 GLY 26 -5.552 10.573 -15.559 75 H LEU 27 HN LEU 27 -3.049 8.157 -15.271 76 HA LEU 27 HA LEU 27 -2.237 8.800 -18.021 77 HB2 LEU 27 HB2 LEU 27 -0.703 7.922 -15.600 78 HB3 LEU 27 HB1 LEU 27 -0.045 7.647 -17.198 79 HG LEU 27 HG LEU 27 -0.252 10.130 -17.608 80 HD11 LEU 27 HD11 LEU 27 -1.878 10.659 -15.887 81 HD12 LEU 27 HD12 LEU 27 -0.392 11.580 -15.645 82 HD13 LEU 27 HD13 LEU 27 -0.734 10.174 -14.635 83 HD21 LEU 27 HD21 LEU 27 1.867 9.027 -17.047 84 HD22 LEU 27 HD22 LEU 27 1.534 9.278 -15.334 85 HD23 LEU 27 HD23 LEU 27 1.778 10.664 -16.398 86 H ASP 28 HN ASP 28 -1.563 7.165 -19.444 87 HA ASP 28 HA ASP 28 -2.653 4.508 -18.843 88 HB2 ASP 28 HB2 ASP 28 -3.374 5.782 -20.932 89 HB3 ASP 28 HB1 ASP 28 -1.740 5.538 -21.540 90 H GLN 29 HN GLN 29 -1.254 2.764 -20.206 91 HA GLN 29 HA GLN 29 1.095 2.476 -18.667 92 HB2 GLN 29 HB2 GLN 29 -0.349 0.636 -19.635 93 HB3 GLN 29 HB1 GLN 29 0.398 0.963 -21.189 94 HG2 GLN 29 HG2 GLN 29 2.055 0.282 -18.787 95 HG3 GLN 29 HG1 GLN 29 1.290 -0.974 -19.755 96 HE21 GLN 29 HE21 GLN 29 4.112 -0.462 -19.310 97 HE22 GLN 29 HE22 GLN 29 4.812 -0.214 -20.877 98 H GLU 30 HN GLU 30 0.526 3.566 -21.962 99 HA GLU 30 HA GLU 30 3.163 3.473 -22.888 100 HB2 GLU 30 HB2 GLU 30 2.412 5.190 -24.549 101 HB3 GLU 30 HB1 GLU 30 1.401 3.755 -24.462 102 HG2 GLU 30 HG2 GLU 30 -0.225 4.973 -23.115 103 HG3 GLU 30 HG1 GLU 30 0.794 6.412 -23.183 104 H GLN 31 HN GLN 31 1.465 5.989 -21.077 105 HA GLN 31 HA GLN 31 3.794 7.713 -21.159 106 HB2 GLN 31 HB2 GLN 31 1.565 8.727 -21.252 107 HB3 GLN 31 HB1 GLN 31 1.172 8.032 -19.687 108 HG2 GLN 31 HG2 GLN 31 1.739 10.406 -19.537 109 HG3 GLN 31 HG1 GLN 31 2.846 9.396 -18.611 110 HE21 GLN 31 HE21 GLN 31 4.443 10.959 -18.630 111 HE22 GLN 31 HE22 GLN 31 5.371 11.328 -20.039 112 H ALA 32 HN ALA 32 2.193 5.524 -18.935 113 HA ALA 32 HA ALA 32 3.624 6.146 -16.596 114 HB1 ALA 32 HB1 ALA 32 1.620 4.731 -16.605 115 HB2 ALA 32 HB2 ALA 32 2.972 3.924 -15.812 116 HB3 ALA 32 HB3 ALA 32 2.515 3.473 -17.454 117 H ASN 33 HN ASN 33 4.447 4.321 -19.426 118 HA ASN 33 HA ASN 33 6.648 2.867 -18.522 119 HB2 ASN 33 HB2 ASN 33 5.634 2.526 -20.727 120 HB3 ASN 33 HB1 ASN 33 6.183 4.119 -21.238 121 HD21 ASN 33 HD21 ASN 33 8.295 4.418 -21.841 122 HD22 ASN 33 HD22 ASN 33 9.418 3.107 -22.010 123 H GLU 34 HN GLU 34 6.420 6.203 -19.672 124 HA GLU 34 HA GLU 34 9.221 6.714 -19.630 125 HB2 GLU 34 HB2 GLU 34 6.926 8.681 -19.460 126 HB3 GLU 34 HB1 GLU 34 8.592 9.070 -19.865 127 HG2 GLU 34 HG2 GLU 34 6.661 7.424 -21.479 128 HG3 GLU 34 HG1 GLU 34 7.303 9.020 -21.873 129 H VAL 35 HN VAL 35 6.681 6.821 -17.289 130 HA VAL 35 HA VAL 35 8.121 8.342 -15.333 131 HB VAL 35 HB VAL 35 5.586 6.705 -15.149 132 HG11 VAL 35 HG11 VAL 35 6.851 8.479 -13.064 133 HG12 VAL 35 HG12 VAL 35 6.621 6.733 -12.964 134 HG13 VAL 35 HG13 VAL 35 5.222 7.807 -12.974 135 HG21 VAL 35 HG21 VAL 35 6.072 9.681 -15.222 136 HG22 VAL 35 HG22 VAL 35 4.501 8.903 -15.023 137 HG23 VAL 35 HG23 VAL 35 5.402 8.698 -16.524 138 H ILE 36 HN ILE 36 7.202 4.903 -15.655 139 HA ILE 36 HA ILE 36 8.526 4.075 -13.296 140 HB ILE 36 HB ILE 36 6.736 2.762 -14.429 141 HG12 ILE 36 HG12 ILE 36 9.334 1.264 -14.026 142 HG13 ILE 36 HG11 ILE 36 8.214 1.727 -12.750 143 HG21 ILE 36 HG21 ILE 36 7.310 1.319 -16.318 144 HG22 ILE 36 HG22 ILE 36 8.902 2.074 -16.407 145 HG23 ILE 36 HG23 ILE 36 7.454 3.028 -16.733 146 HD11 ILE 36 HD11 ILE 36 6.500 0.293 -13.742 147 HD12 ILE 36 HD12 ILE 36 7.952 -0.609 -13.321 148 HD13 ILE 36 HD13 ILE 36 7.637 -0.186 -15.001 149 H ALA 37 HN ALA 37 9.651 4.820 -16.447 150 HA ALA 37 HA ALA 37 11.971 3.278 -16.612 151 HB1 ALA 37 HB1 ALA 37 12.774 4.918 -18.200 152 HB2 ALA 37 HB2 ALA 37 11.567 6.079 -17.647 153 HB3 ALA 37 HB3 ALA 37 11.059 4.604 -18.473 154 H VAL 38 HN VAL 38 11.346 6.315 -14.910 155 HA VAL 38 HA VAL 38 14.113 6.763 -14.323 156 HB VAL 38 HB VAL 38 12.313 8.565 -14.441 157 HG11 VAL 38 HG11 VAL 38 11.150 9.108 -12.362 158 HG12 VAL 38 HG12 VAL 38 11.766 7.626 -11.632 159 HG13 VAL 38 HG13 VAL 38 10.655 7.539 -12.999 160 HG21 VAL 38 HG21 VAL 38 14.561 9.053 -13.710 161 HG22 VAL 38 HG22 VAL 38 14.189 8.485 -12.082 162 HG23 VAL 38 HG23 VAL 38 13.410 9.939 -12.709 163 H LEU 39 HN LEU 39 11.484 5.066 -12.771 164 HA LEU 39 HA LEU 39 12.836 4.695 -10.273 165 HB2 LEU 39 HB2 LEU 39 10.532 3.215 -11.550 166 HB3 LEU 39 HB1 LEU 39 11.188 2.781 -9.988 167 HG LEU 39 HG LEU 39 9.277 4.046 -9.512 168 HD11 LEU 39 HD11 LEU 39 11.187 4.713 -8.173 169 HD12 LEU 39 HD12 LEU 39 10.106 6.080 -8.449 170 HD13 LEU 39 HD13 LEU 39 11.609 5.943 -9.363 171 HD21 LEU 39 HD21 LEU 39 8.852 4.947 -11.713 172 HD22 LEU 39 HD22 LEU 39 10.211 6.057 -11.549 173 HD23 LEU 39 HD23 LEU 39 8.798 6.235 -10.511 174 H GLN 40 HN GLN 40 12.416 2.795 -13.217 175 HA GLN 40 HA GLN 40 13.880 0.529 -12.475 176 HB2 GLN 40 HB2 GLN 40 12.480 0.624 -14.484 177 HB3 GLN 40 HB1 GLN 40 13.570 1.803 -15.202 178 HG2 GLN 40 HG2 GLN 40 15.374 0.098 -15.119 179 HG3 GLN 40 HG1 GLN 40 14.179 -1.071 -14.558 180 HE21 GLN 40 HE21 GLN 40 14.473 -2.380 -16.343 181 HE22 GLN 40 HE22 GLN 40 13.897 -1.946 -17.918 182 H MET 41 HN MET 41 14.902 3.554 -14.008 183 HA MET 41 HA MET 41 17.627 2.814 -14.318 184 HB2 MET 41 HB2 MET 41 16.464 4.642 -15.591 185 HB3 MET 41 HB1 MET 41 16.487 5.610 -14.122 186 HG2 MET 41 HG2 MET 41 18.286 6.283 -15.563 187 HG3 MET 41 HG1 MET 41 18.940 5.519 -14.117 188 HE1 MET 41 HE1 MET 41 21.302 5.229 -15.263 189 HE2 MET 41 HE2 MET 41 20.685 6.029 -16.710 190 HE3 MET 41 HE3 MET 41 21.539 4.492 -16.848 191 H HIS 42 HN HIS 42 15.789 3.920 -11.621 192 HA HIS 42 HA HIS 42 18.204 4.653 -10.144 193 HB2 HIS 42 HB2 HIS 42 15.814 5.823 -10.042 194 HB3 HIS 42 HB1 HIS 42 15.538 4.593 -8.810 195 HD1 HIS 42 HD1 HIS 42 16.923 4.787 -6.605 196 HD2 HIS 42 HD2 HIS 42 17.624 7.825 -9.361 197 HE1 HIS 42 HE1 HIS 42 18.216 6.549 -5.361 198 HE2 HIS 42 HE2 HIS 42 18.786 8.289 -7.101 199 H ASN 43 HN ASN 43 16.736 1.907 -10.970 200 HA ASN 43 HA ASN 43 16.910 -0.241 -10.301 201 HB2 ASN 43 HB2 ASN 43 19.012 0.963 -8.501 202 HB3 ASN 43 HB1 ASN 43 18.688 -0.766 -8.567 203 HD21 ASN 43 HD21 ASN 43 20.021 1.964 -10.221 204 HD22 ASN 43 HD22 ASN 43 20.761 1.088 -11.512 205 H ILE 44 HN ILE 44 14.886 1.432 -9.083 206 HA ILE 44 HA ILE 44 14.564 -0.056 -6.563 207 HB ILE 44 HB ILE 44 14.584 2.309 -6.099 208 HG12 ILE 44 HG12 ILE 44 11.759 1.225 -6.012 209 HG13 ILE 44 HG11 ILE 44 13.012 0.935 -4.810 210 HG21 ILE 44 HG21 ILE 44 12.391 2.566 -8.151 211 HG22 ILE 44 HG22 ILE 44 14.037 3.189 -8.278 212 HG23 ILE 44 HG23 ILE 44 12.934 3.852 -7.073 213 HD11 ILE 44 HD11 ILE 44 11.780 3.599 -5.475 214 HD12 ILE 44 HD12 ILE 44 13.040 3.316 -4.273 215 HD13 ILE 44 HD13 ILE 44 11.437 2.615 -4.051 216 H GLU 45 HN GLU 45 12.904 -1.424 -6.384 217 HA GLU 45 HA GLU 45 11.382 -2.029 -8.736 218 HB2 GLU 45 HB2 GLU 45 10.353 -3.799 -7.269 219 HB3 GLU 45 HB1 GLU 45 12.100 -3.888 -7.438 220 HG2 GLU 45 HG2 GLU 45 12.339 -2.771 -5.257 221 HG3 GLU 45 HG1 GLU 45 10.584 -2.770 -5.089 222 H ALA 46 HN ALA 46 9.375 -1.503 -9.236 223 HA ALA 46 HA ALA 46 7.827 0.028 -7.253 224 HB1 ALA 46 HB1 ALA 46 8.581 1.469 -9.037 225 HB2 ALA 46 HB2 ALA 46 6.839 1.225 -9.180 226 HB3 ALA 46 HB3 ALA 46 7.942 0.358 -10.248 227 H ASN 47 HN ASN 47 5.544 -0.221 -7.300 228 HA ASN 47 HA ASN 47 4.727 -2.858 -8.317 229 HB2 ASN 47 HB2 ASN 47 3.638 -1.204 -6.026 230 HB3 ASN 47 HB1 ASN 47 2.912 -2.704 -6.590 231 HD21 ASN 47 HD21 ASN 47 3.861 -4.638 -6.100 232 HD22 ASN 47 HD22 ASN 47 5.180 -4.788 -4.988 233 H LYS 48 HN LYS 48 2.379 -3.028 -8.896 234 HA LYS 48 HA LYS 48 1.722 -0.727 -10.602 235 HB2 LYS 48 HB2 LYS 48 0.877 -3.621 -10.820 236 HB3 LYS 48 HB1 LYS 48 0.421 -2.344 -11.937 237 HG2 LYS 48 HG2 LYS 48 3.258 -3.185 -11.422 238 HG3 LYS 48 HG1 LYS 48 2.256 -3.824 -12.725 239 HD2 LYS 48 HD2 LYS 48 1.979 -1.513 -13.579 240 HD3 LYS 48 HD1 LYS 48 3.095 -0.954 -12.328 241 HE2 LYS 48 HE2 LYS 48 4.215 -1.279 -14.491 242 HE3 LYS 48 HE1 LYS 48 4.859 -2.341 -13.241 243 HZ1 LYS 48 HZ1 LYS 48 3.524 -4.147 -14.126 244 HZ2 LYS 48 HZ2 LYS 48 4.530 -3.514 -15.335 245 HZ3 LYS 48 HZ3 LYS 48 2.880 -3.128 -15.319 246 H ILE 49 HN ILE 49 0.012 0.462 -10.098 247 HA ILE 49 HA ILE 49 -2.139 -0.788 -8.526 248 HB ILE 49 HB ILE 49 -2.768 1.647 -7.984 249 HG12 ILE 49 HG12 ILE 49 0.155 2.051 -8.667 250 HG13 ILE 49 HG11 ILE 49 -1.192 2.663 -9.624 251 HG21 ILE 49 HG21 ILE 49 -1.244 1.664 -6.055 252 HG22 ILE 49 HG22 ILE 49 -0.303 0.379 -6.811 253 HG23 ILE 49 HG23 ILE 49 -1.974 0.082 -6.329 254 HD11 ILE 49 HD11 ILE 49 -1.914 4.007 -7.701 255 HD12 ILE 49 HD12 ILE 49 -0.287 4.412 -8.244 256 HD13 ILE 49 HD13 ILE 49 -0.514 3.429 -6.797 257 H ASP 50 HN ASP 50 -3.570 -1.446 -9.976 258 HA ASP 50 HA ASP 50 -4.328 0.352 -12.163 259 HB2 ASP 50 HB2 ASP 50 -3.801 -1.857 -12.931 260 HB3 ASP 50 HB1 ASP 50 -4.832 -2.592 -11.707 261 H SER 51 HN SER 51 -6.157 1.426 -12.125 262 HA SER 51 HA SER 51 -8.508 0.384 -10.795 263 HB2 SER 51 HB2 SER 51 -7.373 3.086 -10.010 264 HB3 SER 51 HB1 SER 51 -8.908 2.412 -9.464 265 HG SER 51 HG SER 51 -6.986 0.631 -8.982 266 H GLY 52 HN GLY 52 -10.455 1.467 -11.515 267 HA2 GLY 52 HA2 GLY 52 -10.380 2.133 -14.241 268 HA3 GLY 52 HA1 GLY 52 -11.757 2.368 -13.176 269 H LYS 53 HN LYS 53 -10.796 4.262 -11.420 270 HA LYS 53 HA LYS 53 -11.007 6.612 -13.063 271 HB2 LYS 53 HB2 LYS 53 -11.259 7.822 -11.048 272 HB3 LYS 53 HB1 LYS 53 -12.050 6.278 -10.764 273 HG2 LYS 53 HG2 LYS 53 -9.989 5.499 -9.607 274 HG3 LYS 53 HG1 LYS 53 -9.325 7.121 -9.791 275 HD2 LYS 53 HD2 LYS 53 -11.336 7.977 -8.549 276 HD3 LYS 53 HD1 LYS 53 -11.761 6.296 -8.220 277 HE2 LYS 53 HE2 LYS 53 -10.591 6.989 -6.309 278 HE3 LYS 53 HE1 LYS 53 -9.413 6.070 -7.246 279 HZ1 LYS 53 HZ1 LYS 53 -8.495 8.141 -6.363 280 HZ2 LYS 53 HZ2 LYS 53 -9.641 9.032 -7.232 281 HZ3 LYS 53 HZ3 LYS 53 -8.469 8.124 -8.058 282 H LEU 54 HN LEU 54 -8.421 4.730 -12.178 283 HA LEU 54 HA LEU 54 -6.589 6.998 -11.823 284 HB2 LEU 54 HB2 LEU 54 -6.727 5.316 -10.006 285 HB3 LEU 54 HB1 LEU 54 -6.187 4.089 -11.134 286 HG LEU 54 HG LEU 54 -4.054 5.317 -11.399 287 HD11 LEU 54 HD11 LEU 54 -5.145 7.039 -9.184 288 HD12 LEU 54 HD12 LEU 54 -4.845 7.550 -10.846 289 HD13 LEU 54 HD13 LEU 54 -3.496 7.084 -9.809 290 HD21 LEU 54 HD21 LEU 54 -4.177 3.476 -9.843 291 HD22 LEU 54 HD22 LEU 54 -4.822 4.539 -8.593 292 HD23 LEU 54 HD23 LEU 54 -3.166 4.753 -9.163 293 H GLY 55 HN GLY 55 -6.924 3.893 -13.504 294 HA2 GLY 55 HA2 GLY 55 -6.151 3.355 -15.641 295 HA3 GLY 55 HA1 GLY 55 -5.266 4.876 -15.679 296 H TYR 56 HN TYR 56 -3.194 4.430 -15.965 297 HA TYR 56 HA TYR 56 -1.994 2.235 -14.414 298 HB2 TYR 56 HB2 TYR 56 -1.266 3.525 -17.022 299 HB3 TYR 56 HB1 TYR 56 -0.025 2.725 -16.063 300 HD1 TYR 56 HD1 TYR 56 -3.059 2.230 -18.074 301 HD2 TYR 56 HD2 TYR 56 -0.018 0.333 -15.780 302 HE1 TYR 56 HE1 TYR 56 -3.702 0.053 -19.023 303 HE2 TYR 56 HE2 TYR 56 -0.654 -1.845 -16.721 304 HH TYR 56 HH TYR 56 -2.707 -2.145 -19.412 305 H SER 57 HN SER 57 -0.923 2.808 -12.672 306 HA SER 57 HA SER 57 0.678 5.248 -12.737 307 HB2 SER 57 HB2 SER 57 -1.253 4.540 -10.514 308 HB3 SER 57 HB1 SER 57 -0.096 5.872 -10.474 309 HG SER 57 HG SER 57 -1.759 5.774 -12.685 310 H ILE 58 HN ILE 58 2.364 5.300 -11.159 311 HA ILE 58 HA ILE 58 3.362 2.624 -10.543 312 HB ILE 58 HB ILE 58 4.798 5.284 -10.361 313 HG12 ILE 58 HG12 ILE 58 4.118 4.868 -12.667 314 HG13 ILE 58 HG11 ILE 58 5.857 4.647 -12.506 315 HG21 ILE 58 HG21 ILE 58 5.811 3.574 -8.986 316 HG22 ILE 58 HG22 ILE 58 6.834 3.908 -10.385 317 HG23 ILE 58 HG23 ILE 58 5.833 2.455 -10.349 318 HD11 ILE 58 HD11 ILE 58 3.796 2.458 -12.615 319 HD12 ILE 58 HD12 ILE 58 5.535 2.226 -12.444 320 HD13 ILE 58 HD13 ILE 58 4.882 2.937 -13.919 321 H THR 59 HN THR 59 3.544 1.890 -8.475 322 HA THR 59 HA THR 59 3.392 3.891 -6.333 323 HB THR 59 HB THR 59 1.207 2.537 -6.658 324 HG1 THR 59 HG1 THR 59 1.536 3.722 -4.797 325 HG21 THR 59 HG21 THR 59 2.232 0.330 -6.927 326 HG22 THR 59 HG22 THR 59 1.167 0.365 -5.521 327 HG23 THR 59 HG23 THR 59 2.916 0.441 -5.304 328 H VAL 60 HN VAL 60 4.268 3.051 -4.262 329 HA VAL 60 HA VAL 60 6.257 0.940 -4.561 330 HB VAL 60 HB VAL 60 8.008 2.362 -3.503 331 HG11 VAL 60 HG11 VAL 60 8.612 3.633 -5.523 332 HG12 VAL 60 HG12 VAL 60 6.996 3.337 -6.169 333 HG13 VAL 60 HG13 VAL 60 8.095 1.986 -5.889 334 HG21 VAL 60 HG21 VAL 60 7.744 4.826 -3.635 335 HG22 VAL 60 HG22 VAL 60 6.660 4.056 -2.477 336 HG23 VAL 60 HG23 VAL 60 6.046 4.579 -4.045 337 H ALA 61 HN ALA 61 7.367 0.624 -2.344 338 HA ALA 61 HA ALA 61 5.548 0.005 -0.370 339 HB1 ALA 61 HB1 ALA 61 8.431 0.793 0.050 340 HB2 ALA 61 HB2 ALA 61 7.862 -0.812 -0.407 341 HB3 ALA 61 HB3 ALA 61 7.431 -0.140 1.166 342 H GLU 62 HN GLU 62 4.738 1.009 1.413 343 HA GLU 62 HA GLU 62 3.885 3.569 1.223 344 HB2 GLU 62 HB2 GLU 62 4.316 2.006 3.770 345 HB3 GLU 62 HB1 GLU 62 3.363 3.475 3.654 346 HG2 GLU 62 HG2 GLU 62 1.852 1.658 3.636 347 HG3 GLU 62 HG1 GLU 62 1.905 2.296 1.995 348 HA PRO 63 HA PRO 63 7.310 5.330 4.136 349 HB2 PRO 63 HB2 PRO 63 9.539 3.432 3.968 350 HB3 PRO 63 HB1 PRO 63 8.790 4.154 5.396 351 HG2 PRO 63 HG2 PRO 63 8.485 1.550 4.792 352 HG3 PRO 63 HG1 PRO 63 7.194 2.492 5.560 353 HD2 PRO 63 HD2 PRO 63 7.518 1.705 2.686 354 HD3 PRO 63 HD1 PRO 63 6.059 1.693 3.698 355 H ASP 64 HN ASP 64 8.071 3.599 1.207 356 HA ASP 64 HA ASP 64 10.332 5.312 0.567 357 HB2 ASP 64 HB2 ASP 64 9.049 3.008 -0.908 358 HB3 ASP 64 HB1 ASP 64 10.411 3.928 -1.539 359 H PHE 65 HN PHE 65 7.141 5.741 0.472 360 HA PHE 65 HA PHE 65 6.496 6.610 -2.090 361 HB2 PHE 65 HB2 PHE 65 4.863 6.287 -0.264 362 HB3 PHE 65 HB1 PHE 65 5.502 7.707 0.552 363 HD1 PHE 65 HD2 PHE 65 4.034 6.694 -2.720 364 HD2 PHE 65 HD1 PHE 65 4.460 9.727 0.233 365 HE1 PHE 65 HE2 PHE 65 2.437 8.105 -3.948 366 HE2 PHE 65 HE1 PHE 65 2.864 11.146 -0.991 367 HZ PHE 65 HZ PHE 65 1.851 10.338 -3.083 368 H THR 66 HN THR 66 8.141 8.264 0.526 369 HA THR 66 HA THR 66 8.132 10.862 -0.491 370 HB THR 66 HB THR 66 8.796 10.356 1.805 371 HG1 THR 66 HG1 THR 66 11.015 11.557 1.566 372 HG21 THR 66 HG21 THR 66 11.036 9.452 2.300 373 HG22 THR 66 HG22 THR 66 11.279 9.154 0.578 374 HG23 THR 66 HG23 THR 66 10.017 8.288 1.453 375 H ALA 67 HN ALA 67 10.074 8.094 -1.369 376 HA ALA 67 HA ALA 67 12.060 9.626 -2.781 377 HB1 ALA 67 HB1 ALA 67 12.598 7.449 -1.773 378 HB2 ALA 67 HB2 ALA 67 12.928 7.479 -3.506 379 HB3 ALA 67 HB3 ALA 67 11.486 6.667 -2.897 380 H ALA 68 HN ALA 68 9.270 7.631 -3.636 381 HA ALA 68 HA ALA 68 9.432 7.722 -6.409 382 HB1 ALA 68 HB1 ALA 68 6.909 7.770 -4.759 383 HB2 ALA 68 HB2 ALA 68 7.843 6.324 -5.146 384 HB3 ALA 68 HB3 ALA 68 7.064 7.241 -6.435 385 H VAL 69 HN VAL 69 7.761 9.966 -4.212 386 HA VAL 69 HA VAL 69 6.771 11.710 -6.171 387 HB VAL 69 HB VAL 69 7.563 12.367 -3.325 388 HG11 VAL 69 HG11 VAL 69 7.301 14.379 -4.686 389 HG12 VAL 69 HG12 VAL 69 5.994 14.231 -3.513 390 HG13 VAL 69 HG13 VAL 69 5.708 13.829 -5.206 391 HG21 VAL 69 HG21 VAL 69 4.922 11.491 -4.489 392 HG22 VAL 69 HG22 VAL 69 5.184 12.006 -2.822 393 HG23 VAL 69 HG23 VAL 69 5.965 10.545 -3.428 394 H TYR 70 HN TYR 70 9.861 11.617 -4.477 395 HA TYR 70 HA TYR 70 10.771 14.172 -5.242 396 HB2 TYR 70 HB2 TYR 70 11.665 12.586 -3.410 397 HB3 TYR 70 HB1 TYR 70 12.589 11.831 -4.704 398 HD1 TYR 70 HD1 TYR 70 14.219 13.300 -6.017 399 HD2 TYR 70 HD2 TYR 70 12.424 14.527 -2.363 400 HE1 TYR 70 HE1 TYR 70 15.968 15.003 -5.734 401 HE2 TYR 70 HE2 TYR 70 14.167 16.237 -2.074 402 HH TYR 70 HH TYR 70 16.206 17.211 -4.541 403 H TRP 71 HN TRP 71 11.344 10.950 -6.645 404 HA TRP 71 HA TRP 71 13.109 11.872 -8.664 405 HB2 TRP 71 HB2 TRP 71 11.432 9.355 -8.707 406 HB3 TRP 71 HB1 TRP 71 12.881 9.669 -9.655 407 HD1 TRP 71 HD1 TRP 71 12.242 7.350 -7.293 408 HE1 TRP 71 HE1 TRP 71 14.055 7.021 -5.491 409 HE3 TRP 71 HE3 TRP 71 14.767 11.771 -7.860 410 HZ2 TRP 71 HZ2 TRP 71 16.255 8.444 -4.463 411 HZ3 TRP 71 HZ3 TRP 71 16.722 12.198 -6.428 412 HH2 TRP 71 HH2 TRP 71 17.450 10.567 -4.764 413 H ILE 72 HN ILE 72 9.623 11.303 -8.602 414 HA ILE 72 HA ILE 72 9.263 11.723 -11.400 415 HB ILE 72 HB ILE 72 7.220 11.895 -9.182 416 HG12 ILE 72 HG12 ILE 72 8.254 9.725 -9.169 417 HG13 ILE 72 HG11 ILE 72 6.670 9.568 -9.919 418 HG21 ILE 72 HG21 ILE 72 5.571 11.473 -10.944 419 HG22 ILE 72 HG22 ILE 72 6.851 11.529 -12.156 420 HG23 ILE 72 HG23 ILE 72 6.450 12.974 -11.231 421 HD11 ILE 72 HD11 ILE 72 8.353 8.271 -11.098 422 HD12 ILE 72 HD12 ILE 72 9.291 9.738 -11.381 423 HD13 ILE 72 HD13 ILE 72 7.699 9.552 -12.118 424 H LYS 73 HN LYS 73 9.223 13.798 -8.575 425 HA LYS 73 HA LYS 73 8.151 16.111 -9.761 426 HB2 LYS 73 HB2 LYS 73 8.496 15.866 -7.334 427 HB3 LYS 73 HB1 LYS 73 10.236 15.898 -7.577 428 HG2 LYS 73 HG2 LYS 73 10.069 18.185 -8.436 429 HG3 LYS 73 HG1 LYS 73 8.326 18.148 -8.173 430 HD2 LYS 73 HD2 LYS 73 10.428 17.841 -6.030 431 HD3 LYS 73 HD1 LYS 73 9.512 19.312 -6.364 432 HE2 LYS 73 HE2 LYS 73 7.430 18.115 -5.861 433 HE3 LYS 73 HE1 LYS 73 8.365 16.665 -5.494 434 HZ1 LYS 73 HZ1 LYS 73 7.751 17.898 -3.497 435 HZ2 LYS 73 HZ2 LYS 73 8.593 19.258 -4.059 436 HZ3 LYS 73 HZ3 LYS 73 9.435 17.833 -3.690 437 H THR 74 HN THR 74 11.219 14.566 -10.053 438 HA THR 74 HA THR 74 12.619 16.838 -11.106 439 HB THR 74 HB THR 74 13.355 13.911 -11.309 440 HG1 THR 74 HG1 THR 74 13.035 14.691 -9.110 441 HG21 THR 74 HG21 THR 74 14.635 15.365 -12.811 442 HG22 THR 74 HG22 THR 74 15.652 14.753 -11.506 443 HG23 THR 74 HG23 THR 74 15.050 16.412 -11.451 444 H TYR 75 HN TYR 75 10.555 14.357 -12.371 445 HA TYR 75 HA TYR 75 11.449 14.468 -15.079 446 HB2 TYR 75 HB2 TYR 75 10.290 12.491 -14.343 447 HB3 TYR 75 HB1 TYR 75 8.900 13.433 -13.818 448 HD1 TYR 75 HD1 TYR 75 10.805 12.414 -16.854 449 HD2 TYR 75 HD2 TYR 75 7.114 13.840 -15.281 450 HE1 TYR 75 HE1 TYR 75 9.744 12.084 -19.050 451 HE2 TYR 75 HE2 TYR 75 6.047 13.510 -17.470 452 HH TYR 75 HH TYR 75 6.698 13.380 -19.833 453 H GLN 76 HN GLN 76 8.961 16.120 -13.215 454 HA GLN 76 HA GLN 76 8.383 17.765 -15.586 455 HB2 GLN 76 HB2 GLN 76 6.548 16.155 -14.794 456 HB3 GLN 76 HB1 GLN 76 6.395 17.202 -13.390 457 HG2 GLN 76 HG2 GLN 76 4.721 17.799 -14.991 458 HG3 GLN 76 HG1 GLN 76 5.910 19.097 -14.905 459 HE21 GLN 76 HE21 GLN 76 6.502 16.081 -16.552 460 HE22 GLN 76 HE22 GLN 76 6.507 16.728 -18.156 Start of MODEL 10 1 H1 LYS 19 HT1 LYS 19 3.201 -0.630 -2.159 2 H2 LYS 19 HT2 LYS 19 2.604 0.933 -1.903 3 H3 LYS 19 HT3 LYS 19 2.240 0.117 -3.337 4 HA LYS 19 HA LYS 19 0.953 -1.505 -2.170 5 HB2 LYS 19 HB2 LYS 19 2.202 -1.550 -0.085 6 HB3 LYS 19 HB1 LYS 19 1.729 0.108 0.269 7 HG2 LYS 19 HG2 LYS 19 -0.660 -0.701 0.259 8 HG3 LYS 19 HG1 LYS 19 -0.011 -2.340 0.221 9 HD2 LYS 19 HD2 LYS 19 0.636 -0.293 2.337 10 HD3 LYS 19 HD1 LYS 19 -0.596 -1.544 2.501 11 HE2 LYS 19 HE2 LYS 19 1.128 -3.263 2.202 12 HE3 LYS 19 HE1 LYS 19 2.352 -2.001 2.064 13 HZ1 LYS 19 HZ1 LYS 19 2.192 -3.013 4.300 14 HZ2 LYS 19 HZ2 LYS 19 0.626 -2.379 4.452 15 HZ3 LYS 19 HZ3 LYS 19 1.956 -1.334 4.302 16 H ASP 20 HN ASP 20 -0.654 -0.688 -3.433 17 HA ASP 20 HA ASP 20 -2.737 0.132 -3.723 18 HB2 ASP 20 HB2 ASP 20 -2.383 0.829 -0.835 19 HB3 ASP 20 HB1 ASP 20 -3.815 1.335 -1.724 20 H LYS 21 HN LYS 21 -0.758 2.575 -2.040 21 HA LYS 21 HA LYS 21 -2.279 4.805 -2.673 22 HB2 LYS 21 HB2 LYS 21 0.723 4.634 -2.353 23 HB3 LYS 21 HB1 LYS 21 -0.213 6.120 -2.306 24 HG2 LYS 21 HG2 LYS 21 -0.403 3.832 -0.358 25 HG3 LYS 21 HG1 LYS 21 0.353 5.399 -0.068 26 HD2 LYS 21 HD2 LYS 21 -1.865 6.462 -0.496 27 HD3 LYS 21 HD1 LYS 21 -2.567 4.845 -0.570 28 HE2 LYS 21 HE2 LYS 21 -2.914 5.732 1.633 29 HE3 LYS 21 HE1 LYS 21 -1.723 4.434 1.730 30 HZ1 LYS 21 HZ1 LYS 21 -0.957 7.290 1.526 31 HZ2 LYS 21 HZ2 LYS 21 0.018 5.978 1.988 32 HZ3 LYS 21 HZ3 LYS 21 -1.215 6.523 3.014 33 H ASP 22 HN ASP 22 -2.859 5.583 -4.555 34 HA ASP 22 HA ASP 22 -1.494 4.888 -6.961 35 HB2 ASP 22 HB2 ASP 22 -3.206 6.229 -8.101 36 HB3 ASP 22 HB1 ASP 22 -3.924 5.097 -6.967 37 H LEU 23 HN LEU 23 0.078 5.896 -7.921 38 HA LEU 23 HA LEU 23 1.028 8.430 -6.842 39 HB2 LEU 23 HB2 LEU 23 2.508 6.396 -7.274 40 HB3 LEU 23 HB1 LEU 23 2.288 6.718 -8.981 41 HG LEU 23 HG LEU 23 3.332 8.935 -8.694 42 HD11 LEU 23 HD11 LEU 23 2.802 9.366 -6.381 43 HD12 LEU 23 HD12 LEU 23 4.552 9.401 -6.602 44 HD13 LEU 23 HD13 LEU 23 3.786 7.994 -5.867 45 HD21 LEU 23 HD21 LEU 23 4.671 7.033 -9.395 46 HD22 LEU 23 HD22 LEU 23 4.983 6.615 -7.711 47 HD23 LEU 23 HD23 LEU 23 5.614 8.122 -8.377 48 H LEU 24 HN LEU 24 -0.752 7.222 -9.459 49 HA LEU 24 HA LEU 24 -0.582 9.748 -10.906 50 HB2 LEU 24 HB2 LEU 24 -0.084 7.028 -12.140 51 HB3 LEU 24 HB1 LEU 24 -0.286 8.518 -13.045 52 HG LEU 24 HG LEU 24 1.902 8.202 -11.009 53 HD11 LEU 24 HD11 LEU 24 2.011 7.489 -13.935 54 HD12 LEU 24 HD12 LEU 24 2.139 6.368 -12.582 55 HD13 LEU 24 HD13 LEU 24 3.394 7.578 -12.846 56 HD21 LEU 24 HD21 LEU 24 1.381 10.467 -11.753 57 HD22 LEU 24 HD22 LEU 24 1.581 9.969 -13.433 58 HD23 LEU 24 HD23 LEU 24 2.963 9.955 -12.338 59 H LYS 25 HN LYS 25 -2.405 10.079 -12.334 60 HA LYS 25 HA LYS 25 -4.632 8.209 -11.897 61 HB2 LYS 25 HB2 LYS 25 -4.804 11.226 -11.713 62 HB3 LYS 25 HB1 LYS 25 -6.168 10.124 -11.634 63 HG2 LYS 25 HG2 LYS 25 -5.294 9.176 -9.562 64 HG3 LYS 25 HG1 LYS 25 -3.912 10.273 -9.643 65 HD2 LYS 25 HD2 LYS 25 -5.469 12.189 -9.561 66 HD3 LYS 25 HD1 LYS 25 -6.815 11.061 -9.404 67 HE2 LYS 25 HE2 LYS 25 -4.518 11.301 -7.463 68 HE3 LYS 25 HE1 LYS 25 -6.108 12.028 -7.244 69 HZ1 LYS 25 HZ1 LYS 25 -5.485 9.128 -7.395 70 HZ2 LYS 25 HZ2 LYS 25 -7.060 9.771 -7.324 71 HZ3 LYS 25 HZ3 LYS 25 -5.994 9.987 -6.025 72 H GLY 26 HN GLY 26 -5.210 7.468 -13.840 73 HA2 GLY 26 HA2 GLY 26 -6.362 7.707 -15.861 74 HA3 GLY 26 HA1 GLY 26 -5.956 9.415 -15.867 75 H LEU 27 HN LEU 27 -3.377 7.205 -15.300 76 HA LEU 27 HA LEU 27 -2.359 7.814 -17.982 77 HB2 LEU 27 HB2 LEU 27 -1.004 7.075 -15.407 78 HB3 LEU 27 HB1 LEU 27 -0.179 6.867 -16.939 79 HG LEU 27 HG LEU 27 -0.644 9.344 -17.353 80 HD11 LEU 27 HD11 LEU 27 -2.355 9.647 -15.648 81 HD12 LEU 27 HD12 LEU 27 -0.987 10.729 -15.382 82 HD13 LEU 27 HD13 LEU 27 -1.174 9.283 -14.391 83 HD21 LEU 27 HD21 LEU 27 1.560 8.448 -16.791 84 HD22 LEU 27 HD22 LEU 27 1.173 8.586 -15.076 85 HD23 LEU 27 HD23 LEU 27 1.296 10.036 -16.068 86 H ASP 28 HN ASP 28 -1.614 6.211 -19.347 87 HA ASP 28 HA ASP 28 -2.531 3.503 -18.700 88 HB2 ASP 28 HB2 ASP 28 -1.842 4.791 -21.347 89 HB3 ASP 28 HB1 ASP 28 -2.279 3.094 -21.160 90 H GLN 29 HN GLN 29 -1.095 1.806 -20.012 91 HA GLN 29 HA GLN 29 1.375 1.663 -18.690 92 HB2 GLN 29 HB2 GLN 29 0.217 -0.318 -19.544 93 HB3 GLN 29 HB1 GLN 29 0.471 0.227 -21.195 94 HG2 GLN 29 HG2 GLN 29 2.888 0.015 -20.887 95 HG3 GLN 29 HG1 GLN 29 2.624 -0.546 -19.238 96 HE21 GLN 29 HE21 GLN 29 3.920 -1.885 -21.476 97 HE22 GLN 29 HE22 GLN 29 3.059 -3.374 -21.701 98 H GLU 30 HN GLU 30 0.523 2.762 -21.922 99 HA GLU 30 HA GLU 30 3.093 3.118 -22.948 100 HB2 GLU 30 HB2 GLU 30 2.017 4.757 -24.488 101 HB3 GLU 30 HB1 GLU 30 1.180 3.214 -24.391 102 HG2 GLU 30 HG2 GLU 30 -0.385 4.274 -22.745 103 HG3 GLU 30 HG1 GLU 30 0.380 5.818 -23.119 104 H GLN 31 HN GLN 31 1.244 5.101 -20.742 105 HA GLN 31 HA GLN 31 3.130 7.304 -20.920 106 HB2 GLN 31 HB2 GLN 31 0.734 6.887 -19.123 107 HB3 GLN 31 HB1 GLN 31 1.699 8.354 -19.189 108 HG2 GLN 31 HG2 GLN 31 1.063 8.679 -21.525 109 HG3 GLN 31 HG1 GLN 31 0.106 7.198 -21.468 110 HE21 GLN 31 HE21 GLN 31 -1.790 8.296 -21.982 111 HE22 GLN 31 HE22 GLN 31 -2.594 9.320 -20.848 112 H ALA 32 HN ALA 32 2.174 4.783 -18.649 113 HA ALA 32 HA ALA 32 3.889 5.523 -16.536 114 HB1 ALA 32 HB1 ALA 32 2.786 2.799 -17.204 115 HB2 ALA 32 HB2 ALA 32 1.981 4.031 -16.233 116 HB3 ALA 32 HB3 ALA 32 3.473 3.289 -15.655 117 H ASN 33 HN ASN 33 4.473 3.991 -19.527 118 HA ASN 33 HA ASN 33 6.709 2.432 -19.071 119 HB2 ASN 33 HB2 ASN 33 5.611 2.453 -21.213 120 HB3 ASN 33 HB1 ASN 33 5.990 4.155 -21.446 121 HD21 ASN 33 HD21 ASN 33 7.928 4.730 -22.268 122 HD22 ASN 33 HD22 ASN 33 9.140 3.600 -22.773 123 H GLU 34 HN GLU 34 6.512 5.950 -19.428 124 HA GLU 34 HA GLU 34 9.373 6.290 -19.248 125 HB2 GLU 34 HB2 GLU 34 7.158 8.325 -18.911 126 HB3 GLU 34 HB1 GLU 34 8.868 8.689 -19.085 127 HG2 GLU 34 HG2 GLU 34 8.788 7.612 -21.334 128 HG3 GLU 34 HG1 GLU 34 7.039 7.492 -21.148 129 H VAL 35 HN VAL 35 6.616 6.436 -17.117 130 HA VAL 35 HA VAL 35 7.779 7.632 -14.879 131 HB VAL 35 HB VAL 35 5.518 5.630 -15.026 132 HG11 VAL 35 HG11 VAL 35 4.822 6.516 -12.852 133 HG12 VAL 35 HG12 VAL 35 6.278 7.509 -12.795 134 HG13 VAL 35 HG13 VAL 35 6.409 5.751 -12.765 135 HG21 VAL 35 HG21 VAL 35 5.520 8.644 -14.981 136 HG22 VAL 35 HG22 VAL 35 4.083 7.624 -14.908 137 HG23 VAL 35 HG23 VAL 35 5.099 7.616 -16.351 138 H ILE 36 HN ILE 36 7.342 4.161 -15.618 139 HA ILE 36 HA ILE 36 8.677 3.363 -13.218 140 HB ILE 36 HB ILE 36 6.948 1.962 -14.327 141 HG12 ILE 36 HG12 ILE 36 9.627 0.581 -14.060 142 HG13 ILE 36 HG11 ILE 36 8.600 1.034 -12.706 143 HG21 ILE 36 HG21 ILE 36 9.108 1.433 -16.358 144 HG22 ILE 36 HG22 ILE 36 7.610 2.321 -16.639 145 HG23 ILE 36 HG23 ILE 36 7.559 0.598 -16.258 146 HD11 ILE 36 HD11 ILE 36 7.894 -0.919 -14.882 147 HD12 ILE 36 HD12 ILE 36 6.861 -0.464 -13.526 148 HD13 ILE 36 HD13 ILE 36 8.376 -1.318 -13.233 149 H ALA 37 HN ALA 37 9.746 4.303 -16.331 150 HA ALA 37 HA ALA 37 12.123 2.815 -16.533 151 HB1 ALA 37 HB1 ALA 37 12.844 4.491 -18.147 152 HB2 ALA 37 HB2 ALA 37 11.537 5.560 -17.637 153 HB3 ALA 37 HB3 ALA 37 11.167 4.025 -18.423 154 H VAL 38 HN VAL 38 11.407 5.911 -14.971 155 HA VAL 38 HA VAL 38 14.144 6.427 -14.315 156 HB VAL 38 HB VAL 38 12.406 8.219 -14.554 157 HG11 VAL 38 HG11 VAL 38 10.971 8.745 -12.666 158 HG12 VAL 38 HG12 VAL 38 11.508 7.285 -11.837 159 HG13 VAL 38 HG13 VAL 38 10.586 7.159 -13.336 160 HG21 VAL 38 HG21 VAL 38 14.553 8.677 -13.502 161 HG22 VAL 38 HG22 VAL 38 13.910 8.168 -11.940 162 HG23 VAL 38 HG23 VAL 38 13.268 9.608 -12.728 163 H LEU 39 HN LEU 39 11.522 4.701 -12.828 164 HA LEU 39 HA LEU 39 12.712 4.474 -10.243 165 HB2 LEU 39 HB2 LEU 39 10.433 3.167 -11.651 166 HB3 LEU 39 HB1 LEU 39 11.092 2.376 -10.233 167 HG LEU 39 HG LEU 39 10.670 4.472 -8.941 168 HD11 LEU 39 HD11 LEU 39 10.641 6.053 -10.791 169 HD12 LEU 39 HD12 LEU 39 9.146 6.132 -9.860 170 HD13 LEU 39 HD13 LEU 39 9.172 5.303 -11.416 171 HD21 LEU 39 HD21 LEU 39 8.274 4.120 -8.733 172 HD22 LEU 39 HD22 LEU 39 9.132 2.584 -8.862 173 HD23 LEU 39 HD23 LEU 39 8.263 3.228 -10.255 174 H GLN 40 HN GLN 40 12.541 2.376 -13.094 175 HA GLN 40 HA GLN 40 13.960 0.205 -12.032 176 HB2 GLN 40 HB2 GLN 40 12.663 -0.035 -14.046 177 HB3 GLN 40 HB1 GLN 40 13.646 1.160 -14.877 178 HG2 GLN 40 HG2 GLN 40 15.540 -0.317 -14.876 179 HG3 GLN 40 HG1 GLN 40 14.674 -1.488 -13.882 180 HE21 GLN 40 HE21 GLN 40 15.884 -1.699 -16.576 181 HE22 GLN 40 HE22 GLN 40 14.603 -2.258 -17.604 182 H MET 41 HN MET 41 15.067 3.159 -13.602 183 HA MET 41 HA MET 41 17.759 2.391 -13.951 184 HB2 MET 41 HB2 MET 41 16.727 4.341 -15.072 185 HB3 MET 41 HB1 MET 41 16.651 5.173 -13.525 186 HG2 MET 41 HG2 MET 41 18.534 5.953 -14.825 187 HG3 MET 41 HG1 MET 41 19.087 5.122 -13.373 188 HE1 MET 41 HE1 MET 41 21.555 4.842 -14.320 189 HE2 MET 41 HE2 MET 41 21.034 5.782 -15.718 190 HE3 MET 41 HE3 MET 41 21.901 4.263 -15.951 191 H HIS 42 HN HIS 42 16.030 3.813 -11.233 192 HA HIS 42 HA HIS 42 18.475 4.026 -9.673 193 HB2 HIS 42 HB2 HIS 42 15.608 4.759 -9.151 194 HB3 HIS 42 HB1 HIS 42 16.772 4.694 -7.833 195 HD1 HIS 42 HD1 HIS 42 18.862 6.349 -8.063 196 HD2 HIS 42 HD2 HIS 42 15.674 7.068 -10.640 197 HE1 HIS 42 HE1 HIS 42 19.189 8.697 -8.918 198 HE2 HIS 42 HE2 HIS 42 17.346 9.048 -10.602 199 H ASN 43 HN ASN 43 16.334 1.634 -10.444 200 HA ASN 43 HA ASN 43 16.013 -0.495 -9.752 201 HB2 ASN 43 HB2 ASN 43 18.587 -0.257 -9.623 202 HB3 ASN 43 HB1 ASN 43 18.349 -0.207 -7.879 203 HD21 ASN 43 HD21 ASN 43 17.814 -2.065 -6.797 204 HD22 ASN 43 HD22 ASN 43 17.783 -3.622 -7.544 205 H ILE 44 HN ILE 44 14.715 1.686 -8.344 206 HA ILE 44 HA ILE 44 14.478 0.795 -5.597 207 HB ILE 44 HB ILE 44 14.236 3.176 -6.046 208 HG12 ILE 44 HG12 ILE 44 11.611 1.907 -5.219 209 HG13 ILE 44 HG11 ILE 44 12.973 2.259 -4.159 210 HG21 ILE 44 HG21 ILE 44 11.841 2.437 -7.719 211 HG22 ILE 44 HG22 ILE 44 13.385 3.034 -8.326 212 HG23 ILE 44 HG23 ILE 44 12.370 4.074 -7.327 213 HD11 ILE 44 HD11 ILE 44 11.209 3.904 -3.911 214 HD12 ILE 44 HD12 ILE 44 11.309 4.289 -5.630 215 HD13 ILE 44 HD13 ILE 44 12.670 4.646 -4.566 216 H GLU 45 HN GLU 45 12.636 -0.243 -4.715 217 HA GLU 45 HA GLU 45 11.557 -2.245 -6.376 218 HB2 GLU 45 HB2 GLU 45 11.843 -2.392 -3.874 219 HB3 GLU 45 HB1 GLU 45 10.420 -1.367 -3.722 220 HG2 GLU 45 HG2 GLU 45 9.180 -3.092 -5.080 221 HG3 GLU 45 HG1 GLU 45 10.586 -4.134 -4.879 222 H ALA 46 HN ALA 46 10.189 -1.873 -7.967 223 HA ALA 46 HA ALA 46 8.106 0.159 -7.643 224 HB1 ALA 46 HB1 ALA 46 7.793 -0.035 -10.056 225 HB2 ALA 46 HB2 ALA 46 8.975 -1.342 -10.112 226 HB3 ALA 46 HB3 ALA 46 9.482 0.287 -9.665 227 H ASN 47 HN ASN 47 6.115 -0.417 -7.141 228 HA ASN 47 HA ASN 47 5.302 -3.224 -7.506 229 HB2 ASN 47 HB2 ASN 47 4.026 -1.113 -5.752 230 HB3 ASN 47 HB1 ASN 47 3.636 -2.825 -5.780 231 HD21 ASN 47 HD21 ASN 47 6.354 -3.756 -5.852 232 HD22 ASN 47 HD22 ASN 47 7.034 -3.444 -4.287 233 H LYS 48 HN LYS 48 2.976 -3.520 -8.174 234 HA LYS 48 HA LYS 48 2.339 -1.440 -10.165 235 HB2 LYS 48 HB2 LYS 48 3.211 -3.708 -10.968 236 HB3 LYS 48 HB1 LYS 48 1.665 -4.362 -10.446 237 HG2 LYS 48 HG2 LYS 48 1.628 -3.907 -12.817 238 HG3 LYS 48 HG1 LYS 48 0.512 -2.831 -11.975 239 HD2 LYS 48 HD2 LYS 48 1.762 -1.601 -13.657 240 HD3 LYS 48 HD1 LYS 48 2.202 -1.047 -12.041 241 HE2 LYS 48 HE2 LYS 48 4.191 -1.257 -13.402 242 HE3 LYS 48 HE1 LYS 48 4.210 -2.472 -12.123 243 HZ1 LYS 48 HZ1 LYS 48 4.900 -3.361 -14.290 244 HZ2 LYS 48 HZ2 LYS 48 3.383 -2.972 -14.936 245 HZ3 LYS 48 HZ3 LYS 48 3.505 -4.131 -13.709 246 H ILE 49 HN ILE 49 0.284 -0.693 -10.321 247 HA ILE 49 HA ILE 49 -1.841 -2.095 -8.869 248 HB ILE 49 HB ILE 49 -2.748 0.204 -8.207 249 HG12 ILE 49 HG12 ILE 49 0.149 0.952 -8.660 250 HG13 ILE 49 HG11 ILE 49 -1.229 1.560 -9.570 251 HG21 ILE 49 HG21 ILE 49 -1.933 -1.385 -6.583 252 HG22 ILE 49 HG22 ILE 49 -1.439 0.248 -6.135 253 HG23 ILE 49 HG23 ILE 49 -0.274 -0.857 -6.864 254 HD11 ILE 49 HD11 ILE 49 -2.092 2.611 -7.536 255 HD12 ILE 49 HD12 ILE 49 -0.479 3.191 -7.952 256 HD13 ILE 49 HD13 ILE 49 -0.687 2.022 -6.647 257 H ASP 50 HN ASP 50 -3.543 -2.398 -10.124 258 HA ASP 50 HA ASP 50 -4.109 -0.454 -12.263 259 HB2 ASP 50 HB2 ASP 50 -3.872 -2.611 -13.238 260 HB3 ASP 50 HB1 ASP 50 -4.832 -3.368 -11.972 261 H SER 51 HN SER 51 -5.946 0.727 -12.157 262 HA SER 51 HA SER 51 -8.214 -0.145 -10.593 263 HB2 SER 51 HB2 SER 51 -6.695 2.355 -9.795 264 HB3 SER 51 HB1 SER 51 -8.266 1.875 -9.157 265 HG SER 51 HG SER 51 -6.290 -0.052 -9.001 266 H GLY 52 HN GLY 52 -10.084 1.309 -10.877 267 HA2 GLY 52 HA2 GLY 52 -10.300 2.212 -13.564 268 HA3 GLY 52 HA1 GLY 52 -11.492 2.456 -12.296 269 H LYS 53 HN LYS 53 -10.070 3.950 -10.486 270 HA LYS 53 HA LYS 53 -10.211 6.564 -11.565 271 HB2 LYS 53 HB2 LYS 53 -9.301 7.279 -9.379 272 HB3 LYS 53 HB1 LYS 53 -10.615 6.122 -9.196 273 HG2 LYS 53 HG2 LYS 53 -9.170 4.397 -8.569 274 HG3 LYS 53 HG1 LYS 53 -7.753 5.235 -9.199 275 HD2 LYS 53 HD2 LYS 53 -7.912 6.884 -7.420 276 HD3 LYS 53 HD1 LYS 53 -9.376 6.111 -6.808 277 HE2 LYS 53 HE2 LYS 53 -8.150 4.111 -6.259 278 HE3 LYS 53 HE1 LYS 53 -6.695 4.746 -7.025 279 HZ1 LYS 53 HZ1 LYS 53 -6.383 6.292 -5.332 280 HZ2 LYS 53 HZ2 LYS 53 -6.866 4.891 -4.503 281 HZ3 LYS 53 HZ3 LYS 53 -7.977 6.149 -4.761 282 H LEU 54 HN LEU 54 -7.771 4.262 -11.779 283 HA LEU 54 HA LEU 54 -5.640 6.284 -11.765 284 HB2 LEU 54 HB2 LEU 54 -5.343 4.839 -9.935 285 HB3 LEU 54 HB1 LEU 54 -5.711 3.418 -10.889 286 HG LEU 54 HG LEU 54 -3.322 4.903 -11.762 287 HD11 LEU 54 HD11 LEU 54 -3.387 3.421 -9.137 288 HD12 LEU 54 HD12 LEU 54 -3.142 5.156 -9.337 289 HD13 LEU 54 HD13 LEU 54 -1.942 4.019 -9.952 290 HD21 LEU 54 HD21 LEU 54 -2.449 2.636 -11.940 291 HD22 LEU 54 HD22 LEU 54 -4.029 2.757 -12.717 292 HD23 LEU 54 HD23 LEU 54 -3.882 2.009 -11.126 293 H GLY 55 HN GLY 55 -6.798 3.358 -13.401 294 HA2 GLY 55 HA2 GLY 55 -6.479 2.809 -15.656 295 HA3 GLY 55 HA1 GLY 55 -5.298 4.110 -15.785 296 H TYR 56 HN TYR 56 -3.289 3.459 -16.049 297 HA TYR 56 HA TYR 56 -2.396 1.056 -14.590 298 HB2 TYR 56 HB2 TYR 56 -2.554 0.772 -17.105 299 HB3 TYR 56 HB1 TYR 56 -1.325 2.017 -17.254 300 HD1 TYR 56 HD2 TYR 56 0.989 1.566 -16.570 301 HD2 TYR 56 HD1 TYR 56 -1.996 -1.459 -16.385 302 HE1 TYR 56 HE2 TYR 56 2.745 -0.144 -16.378 303 HE2 TYR 56 HE1 TYR 56 -0.248 -3.178 -16.194 304 HH TYR 56 HH TYR 56 2.120 -3.478 -16.737 305 H SER 57 HN SER 57 -1.018 1.677 -13.030 306 HA SER 57 HA SER 57 0.949 3.726 -13.574 307 HB2 SER 57 HB2 SER 57 -1.150 4.083 -11.428 308 HB3 SER 57 HB1 SER 57 0.295 5.080 -11.591 309 HG SER 57 HG SER 57 -1.151 4.835 -13.915 310 H ILE 58 HN ILE 58 2.055 4.214 -11.280 311 HA ILE 58 HA ILE 58 2.961 1.558 -10.404 312 HB ILE 58 HB ILE 58 4.542 4.122 -10.231 313 HG12 ILE 58 HG12 ILE 58 3.822 3.661 -12.594 314 HG13 ILE 58 HG11 ILE 58 5.563 3.641 -12.356 315 HG21 ILE 58 HG21 ILE 58 5.387 1.225 -10.298 316 HG22 ILE 58 HG22 ILE 58 5.306 2.243 -8.862 317 HG23 ILE 58 HG23 ILE 58 6.461 2.616 -10.142 318 HD11 ILE 58 HD11 ILE 58 5.501 1.186 -12.306 319 HD12 ILE 58 HD12 ILE 58 4.872 1.839 -13.819 320 HD13 ILE 58 HD13 ILE 58 3.762 1.239 -12.586 321 H THR 59 HN THR 59 3.315 1.180 -8.230 322 HA THR 59 HA THR 59 3.001 3.415 -6.361 323 HB THR 59 HB THR 59 0.887 2.045 -6.303 324 HG1 THR 59 HG1 THR 59 1.163 2.960 -4.381 325 HG21 THR 59 HG21 THR 59 2.650 -0.131 -5.201 326 HG22 THR 59 HG22 THR 59 1.979 -0.128 -6.833 327 HG23 THR 59 HG23 THR 59 0.903 -0.186 -5.435 328 H VAL 60 HN VAL 60 4.172 2.942 -4.294 329 HA VAL 60 HA VAL 60 6.301 0.953 -4.709 330 HB VAL 60 HB VAL 60 7.938 2.530 -3.712 331 HG11 VAL 60 HG11 VAL 60 7.843 2.248 -6.124 332 HG12 VAL 60 HG12 VAL 60 8.249 3.913 -5.708 333 HG13 VAL 60 HG13 VAL 60 6.616 3.509 -6.238 334 HG21 VAL 60 HG21 VAL 60 5.724 4.551 -4.053 335 HG22 VAL 60 HG22 VAL 60 7.398 4.926 -3.639 336 HG23 VAL 60 HG23 VAL 60 6.403 3.987 -2.526 337 H ALA 61 HN ALA 61 7.583 0.645 -2.630 338 HA ALA 61 HA ALA 61 5.925 -0.115 -0.513 339 HB1 ALA 61 HB1 ALA 61 8.153 -1.055 -0.828 340 HB2 ALA 61 HB2 ALA 61 7.989 -0.365 0.787 341 HB3 ALA 61 HB3 ALA 61 8.878 0.510 -0.460 342 H GLU 62 HN GLU 62 5.576 0.819 1.521 343 HA GLU 62 HA GLU 62 4.880 3.489 1.464 344 HB2 GLU 62 HB2 GLU 62 5.365 1.715 3.855 345 HB3 GLU 62 HB1 GLU 62 4.518 3.260 3.899 346 HG2 GLU 62 HG2 GLU 62 2.812 2.396 2.408 347 HG3 GLU 62 HG1 GLU 62 3.679 0.868 2.274 348 HA PRO 63 HA PRO 63 8.945 4.579 3.945 349 HB2 PRO 63 HB2 PRO 63 11.043 2.881 3.420 350 HB3 PRO 63 HB1 PRO 63 10.049 2.821 4.878 351 HG2 PRO 63 HG2 PRO 63 9.872 1.169 2.396 352 HG3 PRO 63 HG1 PRO 63 9.703 0.668 4.089 353 HD2 PRO 63 HD2 PRO 63 7.566 1.014 2.503 354 HD3 PRO 63 HD1 PRO 63 7.522 1.438 4.227 355 H ASP 64 HN ASP 64 9.021 2.953 0.817 356 HA ASP 64 HA ASP 64 11.133 4.667 -0.185 357 HB2 ASP 64 HB2 ASP 64 9.560 2.402 -1.393 358 HB3 ASP 64 HB1 ASP 64 10.645 3.396 -2.357 359 H PHE 65 HN PHE 65 7.982 5.191 0.341 360 HA PHE 65 HA PHE 65 6.938 6.128 -2.084 361 HB2 PHE 65 HB2 PHE 65 5.633 5.681 0.008 362 HB3 PHE 65 HB1 PHE 65 6.289 7.168 0.682 363 HD1 PHE 65 HD2 PHE 65 4.293 5.856 -2.156 364 HD2 PHE 65 HD1 PHE 65 5.225 9.200 0.306 365 HE1 PHE 65 HE2 PHE 65 2.455 7.121 -3.187 366 HE2 PHE 65 HE1 PHE 65 3.384 10.472 -0.721 367 HZ PHE 65 HZ PHE 65 1.998 9.433 -2.470 368 H THR 66 HN THR 66 9.121 7.576 0.190 369 HA THR 66 HA THR 66 8.898 10.280 -0.455 370 HB THR 66 HB THR 66 11.532 8.959 0.173 371 HG1 THR 66 HG1 THR 66 9.384 9.548 1.971 372 HG21 THR 66 HG21 THR 66 11.530 11.387 -0.250 373 HG22 THR 66 HG22 THR 66 11.936 11.018 1.426 374 HG23 THR 66 HG23 THR 66 10.321 11.598 1.018 375 H ALA 67 HN ALA 67 10.755 7.689 -1.978 376 HA ALA 67 HA ALA 67 12.190 9.466 -3.712 377 HB1 ALA 67 HB1 ALA 67 13.177 7.366 -2.943 378 HB2 ALA 67 HB2 ALA 67 13.109 7.444 -4.703 379 HB3 ALA 67 HB3 ALA 67 11.940 6.463 -3.819 380 H ALA 68 HN ALA 68 9.305 7.486 -3.960 381 HA ALA 68 HA ALA 68 8.978 7.376 -6.720 382 HB1 ALA 68 HB1 ALA 68 6.837 7.620 -4.618 383 HB2 ALA 68 HB2 ALA 68 7.600 6.121 -5.146 384 HB3 ALA 68 HB3 ALA 68 6.604 7.048 -6.270 385 H VAL 69 HN VAL 69 7.579 9.765 -4.468 386 HA VAL 69 HA VAL 69 6.523 11.430 -6.506 387 HB VAL 69 HB VAL 69 7.261 12.226 -3.686 388 HG11 VAL 69 HG11 VAL 69 6.786 14.128 -5.135 389 HG12 VAL 69 HG12 VAL 69 5.499 13.915 -3.948 390 HG13 VAL 69 HG13 VAL 69 5.257 13.394 -5.615 391 HG21 VAL 69 HG21 VAL 69 4.934 11.674 -3.109 392 HG22 VAL 69 HG22 VAL 69 5.843 10.258 -3.636 393 HG23 VAL 69 HG23 VAL 69 4.699 11.030 -4.733 394 H TYR 70 HN TYR 70 9.628 11.174 -4.985 395 HA TYR 70 HA TYR 70 10.641 13.741 -5.590 396 HB2 TYR 70 HB2 TYR 70 11.500 11.920 -3.949 397 HB3 TYR 70 HB1 TYR 70 12.351 11.284 -5.350 398 HD1 TYR 70 HD1 TYR 70 14.128 12.657 -6.440 399 HD2 TYR 70 HD2 TYR 70 12.246 13.859 -2.818 400 HE1 TYR 70 HE1 TYR 70 15.962 14.236 -6.010 401 HE2 TYR 70 HE2 TYR 70 14.073 15.443 -2.384 402 HH TYR 70 HH TYR 70 16.442 15.708 -3.006 403 H TRP 71 HN TRP 71 10.841 10.607 -7.264 404 HA TRP 71 HA TRP 71 12.537 11.591 -9.345 405 HB2 TRP 71 HB2 TRP 71 10.809 9.105 -9.346 406 HB3 TRP 71 HB1 TRP 71 12.127 9.450 -10.457 407 HD1 TRP 71 HD1 TRP 71 11.740 7.018 -8.160 408 HE1 TRP 71 HE1 TRP 71 13.773 6.544 -6.657 409 HE3 TRP 71 HE3 TRP 71 14.290 11.403 -8.830 410 HZ2 TRP 71 HZ2 TRP 71 16.142 7.851 -5.862 411 HZ3 TRP 71 HZ3 TRP 71 16.432 11.707 -7.663 412 HH2 TRP 71 HH2 TRP 71 17.338 9.968 -6.210 413 H ILE 72 HN ILE 72 9.058 10.940 -9.106 414 HA ILE 72 HA ILE 72 8.549 11.392 -11.875 415 HB ILE 72 HB ILE 72 6.550 11.396 -9.605 416 HG12 ILE 72 HG12 ILE 72 7.809 9.344 -9.507 417 HG13 ILE 72 HG11 ILE 72 6.240 8.990 -10.223 418 HG21 ILE 72 HG21 ILE 72 4.937 10.714 -11.309 419 HG22 ILE 72 HG22 ILE 72 6.187 10.832 -12.548 420 HG23 ILE 72 HG23 ILE 72 5.650 12.280 -11.695 421 HD11 ILE 72 HD11 ILE 72 7.243 8.965 -12.436 422 HD12 ILE 72 HD12 ILE 72 8.044 7.820 -11.361 423 HD13 ILE 72 HD13 ILE 72 8.813 9.362 -11.738 424 H LYS 73 HN LYS 73 9.173 13.518 -9.370 425 HA LYS 73 HA LYS 73 7.515 15.708 -9.970 426 HB2 LYS 73 HB2 LYS 73 8.921 15.485 -7.930 427 HB3 LYS 73 HB1 LYS 73 10.352 15.736 -8.916 428 HG2 LYS 73 HG2 LYS 73 9.612 17.983 -9.464 429 HG3 LYS 73 HG1 LYS 73 8.130 17.738 -8.536 430 HD2 LYS 73 HD2 LYS 73 10.933 17.643 -7.417 431 HD3 LYS 73 HD1 LYS 73 9.819 19.004 -7.270 432 HE2 LYS 73 HE2 LYS 73 8.321 17.748 -5.929 433 HE3 LYS 73 HE1 LYS 73 9.157 16.238 -6.287 434 HZ1 LYS 73 HZ1 LYS 73 11.074 17.044 -5.072 435 HZ2 LYS 73 HZ2 LYS 73 9.697 17.050 -4.079 436 HZ3 LYS 73 HZ3 LYS 73 10.283 18.505 -4.730 437 H THR 74 HN THR 74 10.245 14.369 -11.614 438 HA THR 74 HA THR 74 10.863 16.746 -13.129 439 HB THR 74 HB THR 74 12.357 15.216 -14.429 440 HG1 THR 74 HG1 THR 74 11.729 13.230 -12.494 441 HG21 THR 74 HG21 THR 74 13.945 14.827 -12.607 442 HG22 THR 74 HG22 THR 74 12.660 15.070 -11.425 443 HG23 THR 74 HG23 THR 74 13.179 16.409 -12.448 444 H TYR 75 HN TYR 75 8.551 14.265 -13.337 445 HA TYR 75 HA TYR 75 8.232 14.603 -16.227 446 HB2 TYR 75 HB2 TYR 75 7.142 12.583 -14.277 447 HB3 TYR 75 HB1 TYR 75 6.481 12.757 -15.901 448 HD1 TYR 75 HD2 TYR 75 7.805 12.160 -17.859 449 HD2 TYR 75 HD1 TYR 75 9.346 11.619 -13.928 450 HE1 TYR 75 HE2 TYR 75 9.575 10.713 -18.760 451 HE2 TYR 75 HE1 TYR 75 11.121 10.172 -14.824 452 HH TYR 75 HH TYR 75 11.769 9.919 -18.180 453 H GLN 76 HN GLN 76 7.074 16.297 -16.749 454 HA GLN 76 HA GLN 76 4.508 16.743 -15.400 455 HB2 GLN 76 HB2 GLN 76 6.487 18.913 -16.136 456 HB3 GLN 76 HB1 GLN 76 4.888 19.170 -15.455 457 HG2 GLN 76 HG2 GLN 76 5.539 18.163 -13.385 458 HG3 GLN 76 HG1 GLN 76 7.091 17.671 -14.061 459 HE21 GLN 76 HE21 GLN 76 8.241 18.782 -12.492 460 HE22 GLN 76 HE22 GLN 76 8.366 20.512 -12.496 Start of MODEL 11 1 H1 LYS 19 HT1 LYS 19 2.394 -2.048 0.698 2 H2 LYS 19 HT2 LYS 19 0.891 -2.003 -0.088 3 H3 LYS 19 HT3 LYS 19 1.473 -0.629 0.724 4 HA LYS 19 HA LYS 19 3.218 -0.327 -0.826 5 HB2 LYS 19 HB2 LYS 19 3.446 -2.867 -1.116 6 HB3 LYS 19 HB1 LYS 19 2.173 -2.735 -2.320 7 HG2 LYS 19 HG2 LYS 19 3.590 -1.173 -3.599 8 HG3 LYS 19 HG1 LYS 19 4.873 -1.406 -2.410 9 HD2 LYS 19 HD2 LYS 19 3.652 -3.519 -4.183 10 HD3 LYS 19 HD1 LYS 19 5.270 -2.829 -4.325 11 HE2 LYS 19 HE2 LYS 19 5.873 -3.757 -2.159 12 HE3 LYS 19 HE1 LYS 19 4.243 -4.400 -1.965 13 HZ1 LYS 19 HZ1 LYS 19 4.644 -5.746 -3.989 14 HZ2 LYS 19 HZ2 LYS 19 5.665 -6.142 -2.697 15 HZ3 LYS 19 HZ3 LYS 19 6.259 -5.216 -3.984 16 H ASP 20 HN ASP 20 0.627 0.709 -0.409 17 HA ASP 20 HA ASP 20 -0.336 1.031 -3.181 18 HB2 ASP 20 HB2 ASP 20 -2.076 1.033 -0.705 19 HB3 ASP 20 HB1 ASP 20 -2.622 1.218 -2.368 20 H LYS 21 HN LYS 21 0.539 2.979 -3.669 21 HA LYS 21 HA LYS 21 -0.639 5.232 -2.200 22 HB2 LYS 21 HB2 LYS 21 2.224 5.021 -3.136 23 HB3 LYS 21 HB1 LYS 21 1.455 6.560 -2.784 24 HG2 LYS 21 HG2 LYS 21 2.457 6.183 -0.790 25 HG3 LYS 21 HG1 LYS 21 0.925 5.363 -0.492 26 HD2 LYS 21 HD2 LYS 21 1.968 3.226 -1.121 27 HD3 LYS 21 HD1 LYS 21 3.504 4.065 -1.367 28 HE2 LYS 21 HE2 LYS 21 3.608 3.111 0.794 29 HE3 LYS 21 HE1 LYS 21 3.330 4.835 1.028 30 HZ1 LYS 21 HZ1 LYS 21 1.415 2.605 1.347 31 HZ2 LYS 21 HZ2 LYS 21 0.883 4.204 1.175 32 HZ3 LYS 21 HZ3 LYS 21 1.865 3.776 2.489 33 H ASP 22 HN ASP 22 -1.781 6.526 -3.485 34 HA ASP 22 HA ASP 22 -1.758 6.109 -6.329 35 HB2 ASP 22 HB2 ASP 22 -3.511 7.905 -6.348 36 HB3 ASP 22 HB1 ASP 22 -3.897 6.525 -5.330 37 H LEU 23 HN LEU 23 -0.165 6.888 -7.488 38 HA LEU 23 HA LEU 23 1.251 9.272 -6.599 39 HB2 LEU 23 HB2 LEU 23 2.400 7.100 -7.240 40 HB3 LEU 23 HB1 LEU 23 1.955 7.458 -8.896 41 HG LEU 23 HG LEU 23 3.284 9.540 -8.801 42 HD11 LEU 23 HD11 LEU 23 4.800 9.918 -6.924 43 HD12 LEU 23 HD12 LEU 23 4.089 8.549 -6.071 44 HD13 LEU 23 HD13 LEU 23 3.112 9.978 -6.412 45 HD21 LEU 23 HD21 LEU 23 4.788 7.041 -8.030 46 HD22 LEU 23 HD22 LEU 23 5.496 8.472 -8.779 47 HD23 LEU 23 HD23 LEU 23 4.309 7.511 -9.662 48 H LEU 24 HN LEU 24 -0.241 8.030 -9.595 49 HA LEU 24 HA LEU 24 -0.422 10.817 -10.529 50 HB2 LEU 24 HB2 LEU 24 -0.062 8.296 -12.161 51 HB3 LEU 24 HB1 LEU 24 -0.445 9.864 -12.851 52 HG LEU 24 HG LEU 24 1.756 10.579 -11.557 53 HD11 LEU 24 HD11 LEU 24 3.435 8.796 -11.646 54 HD12 LEU 24 HD12 LEU 24 2.170 7.640 -12.063 55 HD13 LEU 24 HD13 LEU 24 2.149 8.444 -10.493 56 HD21 LEU 24 HD21 LEU 24 1.770 9.063 -14.159 57 HD22 LEU 24 HD22 LEU 24 3.002 10.199 -13.609 58 HD23 LEU 24 HD23 LEU 24 1.370 10.769 -13.959 59 H LYS 25 HN LYS 25 -2.248 10.971 -12.301 60 HA LYS 25 HA LYS 25 -4.560 9.352 -11.510 61 HB2 LYS 25 HB2 LYS 25 -4.563 12.379 -11.586 62 HB3 LYS 25 HB1 LYS 25 -5.961 11.359 -11.282 63 HG2 LYS 25 HG2 LYS 25 -3.516 11.419 -9.532 64 HG3 LYS 25 HG1 LYS 25 -4.960 12.393 -9.249 65 HD2 LYS 25 HD2 LYS 25 -6.288 10.487 -8.846 66 HD3 LYS 25 HD1 LYS 25 -5.069 9.400 -9.516 67 HE2 LYS 25 HE2 LYS 25 -5.139 9.285 -7.073 68 HE3 LYS 25 HE1 LYS 25 -3.586 9.878 -7.654 69 HZ1 LYS 25 HZ1 LYS 25 -4.328 12.143 -7.149 70 HZ2 LYS 25 HZ2 LYS 25 -4.329 11.156 -5.773 71 HZ3 LYS 25 HZ3 LYS 25 -5.790 11.532 -6.543 72 H GLY 26 HN GLY 26 -5.275 8.478 -13.376 73 HA2 GLY 26 HA2 GLY 26 -6.751 8.884 -15.221 74 HA3 GLY 26 HA1 GLY 26 -5.893 10.381 -15.539 75 H LEU 27 HN LEU 27 -3.249 9.049 -15.299 76 HA LEU 27 HA LEU 27 -2.936 8.507 -18.055 77 HB2 LEU 27 HB2 LEU 27 -1.055 8.058 -15.739 78 HB3 LEU 27 HB1 LEU 27 -0.610 7.802 -17.413 79 HG LEU 27 HG LEU 27 -1.274 10.274 -17.754 80 HD11 LEU 27 HD11 LEU 27 -0.974 11.677 -15.768 81 HD12 LEU 27 HD12 LEU 27 -0.906 10.229 -14.765 82 HD13 LEU 27 HD13 LEU 27 -2.387 10.628 -15.635 83 HD21 LEU 27 HD21 LEU 27 0.962 11.002 -17.104 84 HD22 LEU 27 HD22 LEU 27 1.002 9.428 -17.898 85 HD23 LEU 27 HD23 LEU 27 1.164 9.536 -16.145 86 H ASP 28 HN ASP 28 -2.508 6.623 -19.152 87 HA ASP 28 HA ASP 28 -3.363 4.163 -17.807 88 HB2 ASP 28 HB2 ASP 28 -4.422 4.955 -19.995 89 HB3 ASP 28 HB1 ASP 28 -2.897 4.545 -20.771 90 H GLN 29 HN GLN 29 -2.137 2.173 -19.048 91 HA GLN 29 HA GLN 29 0.339 2.023 -17.782 92 HB2 GLN 29 HB2 GLN 29 -1.305 0.222 -18.848 93 HB3 GLN 29 HB1 GLN 29 -0.189 0.347 -20.196 94 HG2 GLN 29 HG2 GLN 29 0.502 -0.438 -17.375 95 HG3 GLN 29 HG1 GLN 29 0.385 -1.512 -18.765 96 HE21 GLN 29 HE21 GLN 29 1.970 -1.376 -20.402 97 HE22 GLN 29 HE22 GLN 29 3.534 -0.683 -20.076 98 H GLU 30 HN GLU 30 -0.415 2.595 -21.206 99 HA GLU 30 HA GLU 30 2.198 2.611 -22.180 100 HB2 GLU 30 HB2 GLU 30 1.170 4.064 -24.032 101 HB3 GLU 30 HB1 GLU 30 0.522 2.448 -23.789 102 HG2 GLU 30 HG2 GLU 30 -1.365 3.333 -22.587 103 HG3 GLU 30 HG1 GLU 30 -0.696 4.963 -22.675 104 H GLN 31 HN GLN 31 0.387 5.156 -20.595 105 HA GLN 31 HA GLN 31 2.407 7.144 -21.217 106 HB2 GLN 31 HB2 GLN 31 -0.258 7.175 -19.897 107 HB3 GLN 31 HB1 GLN 31 0.885 8.429 -19.440 108 HG2 GLN 31 HG2 GLN 31 -0.627 9.143 -21.226 109 HG3 GLN 31 HG1 GLN 31 1.063 9.161 -21.730 110 HE21 GLN 31 HE21 GLN 31 -2.038 7.669 -22.132 111 HE22 GLN 31 HE22 GLN 31 -1.640 6.754 -23.560 112 H ALA 32 HN ALA 32 1.426 5.090 -18.575 113 HA ALA 32 HA ALA 32 3.048 6.267 -16.562 114 HB1 ALA 32 HB1 ALA 32 2.654 4.200 -15.320 115 HB2 ALA 32 HB2 ALA 32 1.982 3.453 -16.769 116 HB3 ALA 32 HB3 ALA 32 1.160 4.821 -16.019 117 H ASN 33 HN ASN 33 3.708 4.210 -19.217 118 HA ASN 33 HA ASN 33 5.981 2.825 -18.521 119 HB2 ASN 33 HB2 ASN 33 4.905 2.609 -20.699 120 HB3 ASN 33 HB1 ASN 33 5.371 4.253 -21.121 121 HD21 ASN 33 HD21 ASN 33 6.512 3.630 -22.916 122 HD22 ASN 33 HD22 ASN 33 8.030 2.807 -22.825 123 H GLU 34 HN GLU 34 5.762 6.196 -19.610 124 HA GLU 34 HA GLU 34 8.526 6.746 -19.607 125 HB2 GLU 34 HB2 GLU 34 6.777 8.123 -20.728 126 HB3 GLU 34 HB1 GLU 34 6.233 8.665 -19.147 127 HG2 GLU 34 HG2 GLU 34 7.613 10.347 -20.173 128 HG3 GLU 34 HG1 GLU 34 8.424 9.686 -18.754 129 H VAL 35 HN VAL 35 6.164 6.585 -17.099 130 HA VAL 35 HA VAL 35 7.723 8.078 -15.176 131 HB VAL 35 HB VAL 35 5.210 6.449 -14.749 132 HG11 VAL 35 HG11 VAL 35 6.471 8.602 -13.054 133 HG12 VAL 35 HG12 VAL 35 6.470 6.875 -12.695 134 HG13 VAL 35 HG13 VAL 35 4.951 7.773 -12.716 135 HG21 VAL 35 HG21 VAL 35 4.020 8.587 -14.873 136 HG22 VAL 35 HG22 VAL 35 4.842 8.214 -16.388 137 HG23 VAL 35 HG23 VAL 35 5.530 9.400 -15.281 138 H ILE 36 HN ILE 36 6.604 4.704 -15.552 139 HA ILE 36 HA ILE 36 7.849 3.718 -13.235 140 HB ILE 36 HB ILE 36 6.069 2.497 -14.430 141 HG12 ILE 36 HG12 ILE 36 8.632 0.909 -14.155 142 HG13 ILE 36 HG11 ILE 36 7.547 1.325 -12.833 143 HG21 ILE 36 HG21 ILE 36 6.800 2.899 -16.719 144 HG22 ILE 36 HG22 ILE 36 6.585 1.175 -16.414 145 HG23 ILE 36 HG23 ILE 36 8.206 1.867 -16.457 146 HD11 ILE 36 HD11 ILE 36 5.777 0.000 -13.887 147 HD12 ILE 36 HD12 ILE 36 7.213 -0.962 -13.535 148 HD13 ILE 36 HD13 ILE 36 6.888 -0.433 -15.185 149 H ALA 37 HN ALA 37 9.101 4.383 -16.394 150 HA ALA 37 HA ALA 37 11.387 2.807 -16.436 151 HB1 ALA 37 HB1 ALA 37 10.601 4.135 -18.342 152 HB2 ALA 37 HB2 ALA 37 12.306 4.427 -17.993 153 HB3 ALA 37 HB3 ALA 37 11.091 5.610 -17.508 154 H VAL 38 HN VAL 38 10.833 5.937 -14.853 155 HA VAL 38 HA VAL 38 13.606 6.217 -14.163 156 HB VAL 38 HB VAL 38 11.985 8.146 -14.538 157 HG11 VAL 38 HG11 VAL 38 10.779 8.975 -12.575 158 HG12 VAL 38 HG12 VAL 38 11.193 7.498 -11.704 159 HG13 VAL 38 HG13 VAL 38 10.158 7.421 -13.130 160 HG21 VAL 38 HG21 VAL 38 13.115 9.575 -12.882 161 HG22 VAL 38 HG22 VAL 38 14.229 8.493 -13.716 162 HG23 VAL 38 HG23 VAL 38 13.716 8.129 -12.069 163 H LEU 39 HN LEU 39 10.765 4.871 -12.643 164 HA LEU 39 HA LEU 39 11.893 4.648 -10.032 165 HB2 LEU 39 HB2 LEU 39 9.624 3.213 -11.396 166 HB3 LEU 39 HB1 LEU 39 10.145 2.786 -9.780 167 HG LEU 39 HG LEU 39 8.266 4.186 -9.517 168 HD11 LEU 39 HD11 LEU 39 9.147 6.168 -8.385 169 HD12 LEU 39 HD12 LEU 39 10.726 5.876 -9.119 170 HD13 LEU 39 HD13 LEU 39 10.055 4.712 -7.976 171 HD21 LEU 39 HD21 LEU 39 9.558 6.145 -11.399 172 HD22 LEU 39 HD22 LEU 39 8.028 6.372 -10.552 173 HD23 LEU 39 HD23 LEU 39 8.184 5.104 -11.769 174 H GLN 40 HN GLN 40 11.528 2.389 -12.746 175 HA GLN 40 HA GLN 40 12.926 0.228 -11.664 176 HB2 GLN 40 HB2 GLN 40 11.604 0.128 -13.743 177 HB3 GLN 40 HB1 GLN 40 12.804 1.127 -14.551 178 HG2 GLN 40 HG2 GLN 40 14.477 -0.625 -14.221 179 HG3 GLN 40 HG1 GLN 40 13.265 -1.626 -13.423 180 HE21 GLN 40 HE21 GLN 40 14.408 -0.357 -16.433 181 HE22 GLN 40 HE22 GLN 40 13.410 -1.338 -17.460 182 H MET 41 HN MET 41 14.035 3.063 -13.409 183 HA MET 41 HA MET 41 16.730 2.452 -13.725 184 HB2 MET 41 HB2 MET 41 15.718 4.335 -14.837 185 HB3 MET 41 HB1 MET 41 15.345 5.102 -13.301 186 HG2 MET 41 HG2 MET 41 17.753 5.342 -12.867 187 HG3 MET 41 HG1 MET 41 18.083 4.640 -14.453 188 HE1 MET 41 HE1 MET 41 19.582 6.858 -14.874 189 HE2 MET 41 HE2 MET 41 19.081 7.540 -13.326 190 HE3 MET 41 HE3 MET 41 18.925 8.493 -14.803 191 H HIS 42 HN HIS 42 14.996 3.602 -10.905 192 HA HIS 42 HA HIS 42 17.491 4.083 -9.467 193 HB2 HIS 42 HB2 HIS 42 14.620 4.733 -8.920 194 HB3 HIS 42 HB1 HIS 42 15.768 4.683 -7.586 195 HD1 HIS 42 HD1 HIS 42 17.432 6.585 -7.377 196 HD2 HIS 42 HD2 HIS 42 15.068 6.817 -10.794 197 HE1 HIS 42 HE1 HIS 42 17.841 8.879 -8.338 198 HE2 HIS 42 HE2 HIS 42 16.446 8.983 -10.437 199 H ASN 43 HN ASN 43 15.738 1.445 -10.148 200 HA ASN 43 HA ASN 43 15.622 -0.659 -9.312 201 HB2 ASN 43 HB2 ASN 43 17.900 0.405 -7.645 202 HB3 ASN 43 HB1 ASN 43 17.335 -1.256 -7.507 203 HD21 ASN 43 HD21 ASN 43 17.644 -2.677 -9.209 204 HD22 ASN 43 HD22 ASN 43 18.782 -2.355 -10.480 205 H ILE 44 HN ILE 44 14.114 1.626 -8.065 206 HA ILE 44 HA ILE 44 13.631 0.684 -5.363 207 HB ILE 44 HB ILE 44 13.637 3.100 -5.777 208 HG12 ILE 44 HG12 ILE 44 10.890 2.046 -5.071 209 HG13 ILE 44 HG11 ILE 44 12.238 2.250 -3.959 210 HG21 ILE 44 HG21 ILE 44 12.868 3.081 -8.081 211 HG22 ILE 44 HG22 ILE 44 11.892 4.172 -7.096 212 HG23 ILE 44 HG23 ILE 44 11.260 2.590 -7.552 213 HD11 ILE 44 HD11 ILE 44 12.161 4.662 -4.305 214 HD12 ILE 44 HD12 ILE 44 10.617 4.038 -3.724 215 HD13 ILE 44 HD13 ILE 44 10.813 4.459 -5.424 216 H GLU 45 HN GLU 45 11.615 -0.135 -4.661 217 HA GLU 45 HA GLU 45 10.354 -2.017 -6.267 218 HB2 GLU 45 HB2 GLU 45 10.170 -2.127 -3.868 219 HB3 GLU 45 HB1 GLU 45 9.366 -0.567 -3.804 220 HG2 GLU 45 HG2 GLU 45 7.703 -2.206 -3.467 221 HG3 GLU 45 HG1 GLU 45 7.481 -1.589 -5.101 222 H ALA 46 HN ALA 46 9.450 -1.491 -8.170 223 HA ALA 46 HA ALA 46 7.546 0.755 -8.221 224 HB1 ALA 46 HB1 ALA 46 9.417 1.014 -9.777 225 HB2 ALA 46 HB2 ALA 46 7.889 0.828 -10.636 226 HB3 ALA 46 HB3 ALA 46 9.011 -0.530 -10.527 227 H ASN 47 HN ASN 47 5.531 0.100 -8.032 228 HA ASN 47 HA ASN 47 4.753 -2.460 -9.273 229 HB2 ASN 47 HB2 ASN 47 4.718 -2.353 -6.735 230 HB3 ASN 47 HB1 ASN 47 3.445 -1.146 -6.885 231 HD21 ASN 47 HD21 ASN 47 3.878 -3.976 -8.927 232 HD22 ASN 47 HD22 ASN 47 2.397 -4.750 -8.472 233 H LYS 48 HN LYS 48 2.864 -2.485 -10.494 234 HA LYS 48 HA LYS 48 1.944 0.179 -11.290 235 HB2 LYS 48 HB2 LYS 48 1.652 -2.499 -12.664 236 HB3 LYS 48 HB1 LYS 48 1.066 -0.970 -13.305 237 HG2 LYS 48 HG2 LYS 48 3.293 -0.127 -13.528 238 HG3 LYS 48 HG1 LYS 48 3.956 -1.519 -12.670 239 HD2 LYS 48 HD2 LYS 48 2.519 -1.634 -15.323 240 HD3 LYS 48 HD1 LYS 48 4.271 -1.671 -15.113 241 HE2 LYS 48 HE2 LYS 48 4.052 -3.722 -13.778 242 HE3 LYS 48 HE1 LYS 48 2.309 -3.692 -14.034 243 HZ1 LYS 48 HZ1 LYS 48 3.252 -5.205 -15.574 244 HZ2 LYS 48 HZ2 LYS 48 4.421 -4.091 -16.084 245 HZ3 LYS 48 HZ3 LYS 48 2.788 -3.837 -16.463 246 H ILE 49 HN ILE 49 0.264 0.812 -10.066 247 HA ILE 49 HA ILE 49 -1.806 -1.110 -9.344 248 HB ILE 49 HB ILE 49 -2.859 0.933 -8.214 249 HG12 ILE 49 HG12 ILE 49 -0.081 2.041 -8.671 250 HG13 ILE 49 HG11 ILE 49 -1.550 2.637 -9.434 251 HG21 ILE 49 HG21 ILE 49 -1.343 0.743 -6.276 252 HG22 ILE 49 HG22 ILE 49 -0.206 -0.141 -7.294 253 HG23 ILE 49 HG23 ILE 49 -1.800 -0.816 -6.961 254 HD11 ILE 49 HD11 ILE 49 -2.425 3.251 -7.229 255 HD12 ILE 49 HD12 ILE 49 -0.903 4.063 -7.598 256 HD13 ILE 49 HD13 ILE 49 -0.924 2.689 -6.492 257 H ASP 50 HN ASP 50 -3.541 -1.410 -10.507 258 HA ASP 50 HA ASP 50 -4.352 0.657 -12.429 259 HB2 ASP 50 HB2 ASP 50 -5.428 -1.125 -13.700 260 HB3 ASP 50 HB1 ASP 50 -3.734 -1.516 -13.428 261 H SER 51 HN SER 51 -6.320 1.525 -12.314 262 HA SER 51 HA SER 51 -8.468 0.255 -10.849 263 HB2 SER 51 HB2 SER 51 -7.437 2.968 -9.977 264 HB3 SER 51 HB1 SER 51 -8.863 2.150 -9.343 265 HG SER 51 HG SER 51 -6.795 0.485 -9.163 266 H GLY 52 HN GLY 52 -10.488 1.723 -10.982 267 HA2 GLY 52 HA2 GLY 52 -10.682 2.610 -13.742 268 HA3 GLY 52 HA1 GLY 52 -12.008 2.443 -12.600 269 H LYS 53 HN LYS 53 -10.865 3.994 -10.526 270 HA LYS 53 HA LYS 53 -11.564 6.628 -11.466 271 HB2 LYS 53 HB2 LYS 53 -12.231 5.726 -9.234 272 HB3 LYS 53 HB1 LYS 53 -10.541 5.752 -8.757 273 HG2 LYS 53 HG2 LYS 53 -10.595 8.242 -9.253 274 HG3 LYS 53 HG1 LYS 53 -12.351 8.073 -9.322 275 HD2 LYS 53 HD2 LYS 53 -11.807 8.741 -7.107 276 HD3 LYS 53 HD1 LYS 53 -12.231 7.029 -7.036 277 HE2 LYS 53 HE2 LYS 53 -9.823 6.469 -7.113 278 HE3 LYS 53 HE1 LYS 53 -9.447 8.190 -7.078 279 HZ1 LYS 53 HZ1 LYS 53 -10.718 6.559 -4.954 280 HZ2 LYS 53 HZ2 LYS 53 -10.725 8.255 -4.928 281 HZ3 LYS 53 HZ3 LYS 53 -9.253 7.415 -4.879 282 H LEU 54 HN LEU 54 -8.674 4.864 -10.725 283 HA LEU 54 HA LEU 54 -7.063 7.305 -10.658 284 HB2 LEU 54 HB2 LEU 54 -6.747 5.813 -8.797 285 HB3 LEU 54 HB1 LEU 54 -6.489 4.454 -9.864 286 HG LEU 54 HG LEU 54 -4.563 6.725 -10.028 287 HD11 LEU 54 HD11 LEU 54 -3.268 5.775 -8.180 288 HD12 LEU 54 HD12 LEU 54 -4.583 4.651 -7.835 289 HD13 LEU 54 HD13 LEU 54 -4.828 6.386 -7.626 290 HD21 LEU 54 HD21 LEU 54 -2.999 4.874 -10.428 291 HD22 LEU 54 HD22 LEU 54 -4.361 4.822 -11.546 292 HD23 LEU 54 HD23 LEU 54 -4.305 3.719 -10.171 293 H GLY 55 HN GLY 55 -7.535 4.371 -12.522 294 HA2 GLY 55 HA2 GLY 55 -6.874 4.008 -14.742 295 HA3 GLY 55 HA1 GLY 55 -5.833 5.424 -14.637 296 H TYR 56 HN TYR 56 -3.743 5.024 -14.614 297 HA TYR 56 HA TYR 56 -2.778 2.647 -13.182 298 HB2 TYR 56 HB2 TYR 56 -2.246 3.459 -15.972 299 HB3 TYR 56 HB1 TYR 56 -0.833 2.978 -15.042 300 HD1 TYR 56 HD2 TYR 56 -0.710 0.698 -14.081 301 HD2 TYR 56 HD1 TYR 56 -3.835 1.844 -16.732 302 HE1 TYR 56 HE2 TYR 56 -1.220 -1.671 -14.491 303 HE2 TYR 56 HE1 TYR 56 -4.356 -0.525 -17.148 304 HH TYR 56 HH TYR 56 -3.085 -2.741 -17.027 305 H SER 57 HN SER 57 -1.088 2.982 -11.858 306 HA SER 57 HA SER 57 0.552 5.354 -12.174 307 HB2 SER 57 HB2 SER 57 -1.077 4.812 -9.689 308 HB3 SER 57 HB1 SER 57 0.287 5.933 -9.741 309 HG SER 57 HG SER 57 -1.614 6.249 -11.728 310 H ILE 58 HN ILE 58 2.364 5.359 -10.594 311 HA ILE 58 HA ILE 58 3.335 2.612 -10.297 312 HB ILE 58 HB ILE 58 4.988 5.129 -10.154 313 HG12 ILE 58 HG12 ILE 58 3.773 5.056 -12.305 314 HG13 ILE 58 HG11 ILE 58 5.503 4.841 -12.521 315 HG21 ILE 58 HG21 ILE 58 6.028 3.126 -9.255 316 HG22 ILE 58 HG22 ILE 58 6.817 3.603 -10.759 317 HG23 ILE 58 HG23 ILE 58 5.681 2.255 -10.749 318 HD11 ILE 58 HD11 ILE 58 3.403 2.684 -12.584 319 HD12 ILE 58 HD12 ILE 58 5.139 2.409 -12.725 320 HD13 ILE 58 HD13 ILE 58 4.291 3.338 -13.960 321 H THR 59 HN THR 59 2.952 1.862 -8.316 322 HA THR 59 HA THR 59 3.163 3.701 -6.042 323 HB THR 59 HB THR 59 1.063 2.403 -6.238 324 HG1 THR 59 HG1 THR 59 1.968 1.165 -4.012 325 HG21 THR 59 HG21 THR 59 1.088 -0.010 -5.811 326 HG22 THR 59 HG22 THR 59 2.851 0.009 -5.826 327 HG23 THR 59 HG23 THR 59 1.953 0.394 -7.294 328 H VAL 60 HN VAL 60 4.357 3.036 -4.175 329 HA VAL 60 HA VAL 60 6.433 1.035 -4.733 330 HB VAL 60 HB VAL 60 8.120 2.418 -3.695 331 HG11 VAL 60 HG11 VAL 60 8.336 4.185 -5.367 332 HG12 VAL 60 HG12 VAL 60 6.646 3.965 -5.819 333 HG13 VAL 60 HG13 VAL 60 7.809 2.670 -6.100 334 HG21 VAL 60 HG21 VAL 60 5.983 4.531 -3.428 335 HG22 VAL 60 HG22 VAL 60 7.690 4.733 -3.034 336 HG23 VAL 60 HG23 VAL 60 6.697 3.612 -2.102 337 H ALA 61 HN ALA 61 7.685 0.575 -2.624 338 HA ALA 61 HA ALA 61 5.873 -0.409 -0.690 339 HB1 ALA 61 HB1 ALA 61 8.863 -0.044 -0.517 340 HB2 ALA 61 HB2 ALA 61 8.022 -1.479 -1.104 341 HB3 ALA 61 HB3 ALA 61 7.881 -1.004 0.589 342 H GLU 62 HN GLU 62 5.513 0.255 1.441 343 HA GLU 62 HA GLU 62 5.130 2.927 1.944 344 HB2 GLU 62 HB2 GLU 62 5.411 0.569 3.779 345 HB3 GLU 62 HB1 GLU 62 5.137 2.180 4.422 346 HG2 GLU 62 HG2 GLU 62 3.067 0.887 4.221 347 HG3 GLU 62 HG1 GLU 62 3.041 2.345 3.235 348 HA PRO 63 HA PRO 63 9.383 3.102 4.398 349 HB2 PRO 63 HB2 PRO 63 11.311 1.484 3.269 350 HB3 PRO 63 HB1 PRO 63 10.419 1.113 4.748 351 HG2 PRO 63 HG2 PRO 63 9.934 0.171 1.953 352 HG3 PRO 63 HG1 PRO 63 9.840 -0.735 3.475 353 HD2 PRO 63 HD2 PRO 63 7.632 0.128 2.234 354 HD3 PRO 63 HD1 PRO 63 7.753 0.131 4.006 355 H ASP 64 HN ASP 64 8.740 2.879 1.028 356 HA ASP 64 HA ASP 64 10.913 4.802 0.469 357 HB2 ASP 64 HB2 ASP 64 9.522 2.866 -1.393 358 HB3 ASP 64 HB1 ASP 64 10.629 4.122 -1.934 359 H PHE 65 HN PHE 65 8.164 5.223 1.540 360 HA PHE 65 HA PHE 65 6.287 6.086 -0.260 361 HB2 PHE 65 HB2 PHE 65 5.843 5.905 2.124 362 HB3 PHE 65 HB1 PHE 65 6.931 7.245 2.458 363 HD1 PHE 65 HD2 PHE 65 3.722 6.342 0.861 364 HD2 PHE 65 HD1 PHE 65 6.180 9.475 2.357 365 HE1 PHE 65 HE2 PHE 65 1.836 7.911 0.664 366 HE2 PHE 65 HE1 PHE 65 4.301 11.049 2.159 367 HZ PHE 65 HZ PHE 65 2.127 10.270 1.313 368 H THR 66 HN THR 66 8.671 8.238 1.337 369 HA THR 66 HA THR 66 7.825 10.483 -0.201 370 HB THR 66 HB THR 66 8.816 10.691 2.069 371 HG1 THR 66 HG1 THR 66 8.904 12.394 0.309 372 HG21 THR 66 HG21 THR 66 11.409 10.046 0.667 373 HG22 THR 66 HG22 THR 66 10.599 9.033 1.860 374 HG23 THR 66 HG23 THR 66 11.251 10.602 2.331 375 H ALA 67 HN ALA 67 10.089 7.960 -0.764 376 HA ALA 67 HA ALA 67 11.905 9.357 -2.435 377 HB1 ALA 67 HB1 ALA 67 12.463 7.241 -1.321 378 HB2 ALA 67 HB2 ALA 67 12.726 7.162 -3.062 379 HB3 ALA 67 HB3 ALA 67 11.303 6.404 -2.351 380 H ALA 68 HN ALA 68 9.028 7.401 -3.053 381 HA ALA 68 HA ALA 68 9.131 7.175 -5.803 382 HB1 ALA 68 HB1 ALA 68 6.664 7.592 -4.120 383 HB2 ALA 68 HB2 ALA 68 7.467 6.050 -4.409 384 HB3 ALA 68 HB3 ALA 68 6.710 6.913 -5.748 385 H VAL 69 HN VAL 69 7.606 9.775 -3.915 386 HA VAL 69 HA VAL 69 6.698 11.252 -6.138 387 HB VAL 69 HB VAL 69 7.361 12.334 -3.389 388 HG11 VAL 69 HG11 VAL 69 6.992 14.079 -5.034 389 HG12 VAL 69 HG12 VAL 69 5.636 14.009 -3.909 390 HG13 VAL 69 HG13 VAL 69 5.475 13.326 -5.526 391 HG21 VAL 69 HG21 VAL 69 5.888 10.411 -3.183 392 HG22 VAL 69 HG22 VAL 69 4.797 11.093 -4.389 393 HG23 VAL 69 HG23 VAL 69 5.007 11.899 -2.835 394 H TYR 70 HN TYR 70 9.737 11.198 -4.407 395 HA TYR 70 HA TYR 70 10.696 13.678 -5.455 396 HB2 TYR 70 HB2 TYR 70 11.436 12.664 -3.286 397 HB3 TYR 70 HB1 TYR 70 12.311 11.449 -4.213 398 HD1 TYR 70 HD2 TYR 70 12.003 15.159 -3.914 399 HD2 TYR 70 HD1 TYR 70 14.535 11.837 -4.717 400 HE1 TYR 70 HE2 TYR 70 13.934 16.673 -4.054 401 HE2 TYR 70 HE1 TYR 70 16.473 13.341 -4.861 402 HH TYR 70 HH TYR 70 16.995 15.638 -5.253 403 H TRP 71 HN TRP 71 10.847 10.342 -6.497 404 HA TRP 71 HA TRP 71 12.968 10.782 -8.380 405 HB2 TRP 71 HB2 TRP 71 10.989 8.502 -8.194 406 HB3 TRP 71 HB1 TRP 71 12.410 8.530 -9.229 407 HD1 TRP 71 HD1 TRP 71 11.685 6.508 -6.679 408 HE1 TRP 71 HE1 TRP 71 13.535 6.152 -4.918 409 HE3 TRP 71 HE3 TRP 71 14.563 10.642 -7.646 410 HZ2 TRP 71 HZ2 TRP 71 15.888 7.443 -4.065 411 HZ3 TRP 71 HZ3 TRP 71 16.591 11.002 -6.309 412 HH2 TRP 71 HH2 TRP 71 17.239 9.433 -4.556 413 H ILE 72 HN ILE 72 9.588 11.303 -8.366 414 HA ILE 72 HA ILE 72 9.338 11.284 -11.267 415 HB ILE 72 HB ILE 72 7.249 12.213 -9.289 416 HG12 ILE 72 HG12 ILE 72 7.921 9.966 -8.635 417 HG13 ILE 72 HG11 ILE 72 6.327 9.920 -9.379 418 HG21 ILE 72 HG21 ILE 72 5.669 11.602 -11.045 419 HG22 ILE 72 HG22 ILE 72 7.001 11.078 -12.075 420 HG23 ILE 72 HG23 ILE 72 6.841 12.780 -11.639 421 HD11 ILE 72 HD11 ILE 72 8.925 9.166 -10.693 422 HD12 ILE 72 HD12 ILE 72 7.342 9.148 -11.469 423 HD13 ILE 72 HD13 ILE 72 7.676 8.059 -10.121 424 H LYS 73 HN LYS 73 10.555 13.364 -9.040 425 HA LYS 73 HA LYS 73 9.327 15.811 -9.405 426 HB2 LYS 73 HB2 LYS 73 11.005 15.339 -7.675 427 HB3 LYS 73 HB1 LYS 73 12.261 15.299 -8.903 428 HG2 LYS 73 HG2 LYS 73 12.522 17.415 -8.077 429 HG3 LYS 73 HG1 LYS 73 11.427 17.720 -9.422 430 HD2 LYS 73 HD2 LYS 73 10.620 17.401 -6.531 431 HD3 LYS 73 HD1 LYS 73 10.754 18.929 -7.397 432 HE2 LYS 73 HE2 LYS 73 8.844 16.681 -8.020 433 HE3 LYS 73 HE1 LYS 73 8.435 18.214 -7.251 434 HZ1 LYS 73 HZ1 LYS 73 9.549 17.958 -9.994 435 HZ2 LYS 73 HZ2 LYS 73 8.981 19.379 -9.257 436 HZ3 LYS 73 HZ3 LYS 73 7.901 18.126 -9.641 437 H THR 74 HN THR 74 11.511 14.181 -11.582 438 HA THR 74 HA THR 74 12.328 16.472 -13.044 439 HB THR 74 HB THR 74 12.803 14.642 -14.845 440 HG1 THR 74 HG1 THR 74 12.483 12.610 -14.240 441 HG21 THR 74 HG21 THR 74 14.192 14.612 -12.162 442 HG22 THR 74 HG22 THR 74 14.515 15.743 -13.476 443 HG23 THR 74 HG23 THR 74 14.868 14.028 -13.683 444 H TYR 75 HN TYR 75 9.450 14.572 -13.063 445 HA TYR 75 HA TYR 75 8.603 15.884 -15.564 446 HB2 TYR 75 HB2 TYR 75 7.839 13.240 -14.354 447 HB3 TYR 75 HB1 TYR 75 6.786 14.039 -15.517 448 HD1 TYR 75 HD2 TYR 75 7.994 14.804 -17.740 449 HD2 TYR 75 HD1 TYR 75 9.422 11.751 -15.143 450 HE1 TYR 75 HE2 TYR 75 9.298 13.851 -19.590 451 HE2 TYR 75 HE1 TYR 75 10.731 10.787 -16.991 452 HH TYR 75 HH TYR 75 10.610 10.785 -19.539 453 H GLN 76 HN GLN 76 7.539 14.957 -12.316 454 HA GLN 76 HA GLN 76 5.328 16.886 -12.579 455 HB2 GLN 76 HB2 GLN 76 4.612 14.546 -12.244 456 HB3 GLN 76 HB1 GLN 76 5.538 14.485 -10.751 457 HG2 GLN 76 HG2 GLN 76 4.110 16.191 -9.774 458 HG3 GLN 76 HG1 GLN 76 3.205 16.315 -11.283 459 HE21 GLN 76 HE21 GLN 76 3.851 14.373 -8.478 460 HE22 GLN 76 HE22 GLN 76 2.512 13.301 -8.667 Start of MODEL 12 1 H1 LYS 19 HT1 LYS 19 2.981 0.717 -2.900 2 H2 LYS 19 HT2 LYS 19 3.325 0.026 -1.387 3 H3 LYS 19 HT3 LYS 19 1.858 0.829 -1.639 4 HA LYS 19 HA LYS 19 2.670 -1.601 -3.109 5 HB2 LYS 19 HB2 LYS 19 2.256 -1.753 -0.518 6 HB3 LYS 19 HB1 LYS 19 0.565 -1.568 -0.966 7 HG2 LYS 19 HG2 LYS 19 0.975 -3.504 -2.576 8 HG3 LYS 19 HG1 LYS 19 2.461 -3.765 -1.670 9 HD2 LYS 19 HD2 LYS 19 -0.247 -3.651 -0.359 10 HD3 LYS 19 HD1 LYS 19 0.443 -5.146 -0.981 11 HE2 LYS 19 HE2 LYS 19 1.003 -5.190 1.269 12 HE3 LYS 19 HE1 LYS 19 2.467 -4.581 0.503 13 HZ1 LYS 19 HZ1 LYS 19 2.089 -2.449 1.300 14 HZ2 LYS 19 HZ2 LYS 19 1.593 -3.420 2.593 15 HZ3 LYS 19 HZ3 LYS 19 0.437 -2.722 1.571 16 H ASP 20 HN ASP 20 -0.125 0.216 -1.867 17 HA ASP 20 HA ASP 20 -1.323 0.081 -4.553 18 HB2 ASP 20 HB2 ASP 20 -3.530 0.022 -3.448 19 HB3 ASP 20 HB1 ASP 20 -2.540 -1.359 -2.992 20 H LYS 21 HN LYS 21 0.418 2.072 -3.296 21 HA LYS 21 HA LYS 21 -1.269 4.371 -2.746 22 HB2 LYS 21 HB2 LYS 21 1.744 4.141 -2.977 23 HB3 LYS 21 HB1 LYS 21 0.870 5.558 -2.418 24 HG2 LYS 21 HG2 LYS 21 0.768 2.884 -1.046 25 HG3 LYS 21 HG1 LYS 21 1.897 4.171 -0.621 26 HD2 LYS 21 HD2 LYS 21 -0.018 5.661 -0.174 27 HD3 LYS 21 HD1 LYS 21 -1.114 4.321 -0.524 28 HE2 LYS 21 HE2 LYS 21 -0.174 3.048 1.319 29 HE3 LYS 21 HE1 LYS 21 0.984 4.337 1.644 30 HZ1 LYS 21 HZ1 LYS 21 -1.968 4.604 1.832 31 HZ2 LYS 21 HZ2 LYS 21 -0.830 5.803 2.205 32 HZ3 LYS 21 HZ3 LYS 21 -0.921 4.401 3.148 33 H ASP 22 HN ASP 22 -1.846 5.850 -4.251 34 HA ASP 22 HA ASP 22 -1.038 5.410 -6.983 35 HB2 ASP 22 HB2 ASP 22 -2.662 7.102 -7.575 36 HB3 ASP 22 HB1 ASP 22 -3.379 6.023 -6.387 37 H LEU 23 HN LEU 23 0.407 6.519 -8.124 38 HA LEU 23 HA LEU 23 1.855 8.667 -6.736 39 HB2 LEU 23 HB2 LEU 23 3.129 6.616 -7.318 40 HB3 LEU 23 HB1 LEU 23 2.769 6.906 -9.008 41 HG LEU 23 HG LEU 23 4.026 9.022 -8.915 42 HD11 LEU 23 HD11 LEU 23 4.710 8.154 -6.111 43 HD12 LEU 23 HD12 LEU 23 3.722 9.546 -6.562 44 HD13 LEU 23 HD13 LEU 23 5.436 9.508 -6.977 45 HD21 LEU 23 HD21 LEU 23 5.574 6.608 -7.974 46 HD22 LEU 23 HD22 LEU 23 6.251 8.022 -8.780 47 HD23 LEU 23 HD23 LEU 23 5.129 6.970 -9.644 48 H LEU 24 HN LEU 24 0.385 7.745 -9.785 49 HA LEU 24 HA LEU 24 0.819 10.469 -10.804 50 HB2 LEU 24 HB2 LEU 24 0.440 7.910 -12.368 51 HB3 LEU 24 HB1 LEU 24 0.741 9.499 -13.044 52 HG LEU 24 HG LEU 24 2.701 8.072 -11.252 53 HD11 LEU 24 HD11 LEU 24 2.601 8.165 -14.262 54 HD12 LEU 24 HD12 LEU 24 2.324 6.745 -13.256 55 HD13 LEU 24 HD13 LEU 24 3.916 7.503 -13.294 56 HD21 LEU 24 HD21 LEU 24 2.972 10.433 -13.112 57 HD22 LEU 24 HD22 LEU 24 4.289 9.682 -12.213 58 HD23 LEU 24 HD23 LEU 24 2.978 10.487 -11.350 59 H LYS 25 HN LYS 25 -0.914 11.151 -12.392 60 HA LYS 25 HA LYS 25 -3.508 9.899 -11.831 61 HB2 LYS 25 HB2 LYS 25 -2.845 12.836 -11.662 62 HB3 LYS 25 HB1 LYS 25 -4.487 12.260 -11.890 63 HG2 LYS 25 HG2 LYS 25 -2.706 11.664 -9.532 64 HG3 LYS 25 HG1 LYS 25 -4.063 12.792 -9.559 65 HD2 LYS 25 HD2 LYS 25 -5.406 10.691 -10.342 66 HD3 LYS 25 HD1 LYS 25 -4.064 9.807 -9.615 67 HE2 LYS 25 HE2 LYS 25 -5.881 11.791 -8.254 68 HE3 LYS 25 HE1 LYS 25 -5.838 10.049 -7.999 69 HZ1 LYS 25 HZ1 LYS 25 -3.608 11.910 -7.375 70 HZ2 LYS 25 HZ2 LYS 25 -3.646 10.242 -7.046 71 HZ3 LYS 25 HZ3 LYS 25 -4.707 11.295 -6.244 72 H GLY 26 HN GLY 26 -4.209 9.166 -13.730 73 HA2 GLY 26 HA2 GLY 26 -5.159 9.322 -15.816 74 HA3 GLY 26 HA1 GLY 26 -4.817 11.041 -15.797 75 H LEU 27 HN LEU 27 -2.694 8.168 -15.748 76 HA LEU 27 HA LEU 27 -1.605 9.114 -18.315 77 HB2 LEU 27 HB2 LEU 27 -0.198 7.855 -15.982 78 HB3 LEU 27 HB1 LEU 27 0.453 7.695 -17.602 79 HG LEU 27 HG LEU 27 0.338 10.271 -17.688 80 HD11 LEU 27 HD11 LEU 27 0.181 9.841 -14.716 81 HD12 LEU 27 HD12 LEU 27 -1.028 10.632 -15.728 82 HD13 LEU 27 HD13 LEU 27 0.561 11.369 -15.509 83 HD21 LEU 27 HD21 LEU 27 2.522 10.461 -16.586 84 HD22 LEU 27 HD22 LEU 27 2.418 9.047 -17.635 85 HD23 LEU 27 HD23 LEU 27 2.294 8.859 -15.887 86 H ASP 28 HN ASP 28 -1.048 7.526 -19.856 87 HA ASP 28 HA ASP 28 -2.746 5.164 -19.657 88 HB2 ASP 28 HB2 ASP 28 -2.692 6.743 -21.687 89 HB3 ASP 28 HB1 ASP 28 -1.144 5.998 -22.077 90 H GLN 29 HN GLN 29 -1.678 3.211 -20.979 91 HA GLN 29 HA GLN 29 0.212 2.120 -19.222 92 HB2 GLN 29 HB2 GLN 29 -1.277 0.689 -20.421 93 HB3 GLN 29 HB1 GLN 29 -0.704 1.283 -21.970 94 HG2 GLN 29 HG2 GLN 29 1.497 0.262 -21.501 95 HG3 GLN 29 HG1 GLN 29 0.831 -0.404 -20.009 96 HE21 GLN 29 HE21 GLN 29 1.208 -2.515 -20.723 97 HE22 GLN 29 HE22 GLN 29 0.222 -3.258 -21.931 98 H GLU 30 HN GLU 30 0.664 3.041 -22.647 99 HA GLU 30 HA GLU 30 3.462 2.621 -22.596 100 HB2 GLU 30 HB2 GLU 30 3.477 3.851 -24.746 101 HB3 GLU 30 HB1 GLU 30 2.276 2.568 -24.696 102 HG2 GLU 30 HG2 GLU 30 0.506 4.127 -24.422 103 HG3 GLU 30 HG1 GLU 30 1.637 5.454 -24.161 104 H GLN 31 HN GLN 31 1.478 5.255 -21.610 105 HA GLN 31 HA GLN 31 3.520 7.267 -21.796 106 HB2 GLN 31 HB2 GLN 31 1.026 7.686 -21.887 107 HB3 GLN 31 HB1 GLN 31 0.981 7.357 -20.162 108 HG2 GLN 31 HG2 GLN 31 1.013 9.750 -20.657 109 HG3 GLN 31 HG1 GLN 31 2.421 9.244 -19.726 110 HE21 GLN 31 HE21 GLN 31 1.270 10.242 -22.862 111 HE22 GLN 31 HE22 GLN 31 2.815 10.680 -23.505 112 H ALA 32 HN ALA 32 2.331 5.037 -19.392 113 HA ALA 32 HA ALA 32 3.723 6.197 -17.178 114 HB1 ALA 32 HB1 ALA 32 2.532 3.442 -17.473 115 HB2 ALA 32 HB2 ALA 32 1.694 4.867 -16.860 116 HB3 ALA 32 HB3 ALA 32 3.056 4.191 -15.965 117 H ASN 33 HN ASN 33 4.616 4.148 -19.761 118 HA ASN 33 HA ASN 33 6.576 2.523 -18.663 119 HB2 ASN 33 HB2 ASN 33 5.798 2.295 -20.979 120 HB3 ASN 33 HB1 ASN 33 6.574 3.817 -21.402 121 HD21 ASN 33 HD21 ASN 33 8.790 3.891 -21.676 122 HD22 ASN 33 HD22 ASN 33 9.760 2.460 -21.762 123 H GLU 34 HN GLU 34 6.844 5.869 -19.804 124 HA GLU 34 HA GLU 34 9.612 6.158 -19.464 125 HB2 GLU 34 HB2 GLU 34 8.130 7.783 -20.641 126 HB3 GLU 34 HB1 GLU 34 7.488 8.279 -19.082 127 HG2 GLU 34 HG2 GLU 34 9.149 9.852 -19.872 128 HG3 GLU 34 HG1 GLU 34 9.709 9.039 -18.409 129 H VAL 35 HN VAL 35 6.922 6.688 -17.227 130 HA VAL 35 HA VAL 35 8.521 7.699 -15.121 131 HB VAL 35 HB VAL 35 5.769 6.457 -14.972 132 HG11 VAL 35 HG11 VAL 35 7.228 8.254 -13.032 133 HG12 VAL 35 HG12 VAL 35 6.848 6.548 -12.793 134 HG13 VAL 35 HG13 VAL 35 5.547 7.735 -12.888 135 HG21 VAL 35 HG21 VAL 35 5.812 8.340 -16.504 136 HG22 VAL 35 HG22 VAL 35 6.618 9.336 -15.292 137 HG23 VAL 35 HG23 VAL 35 4.965 8.782 -15.022 138 H ILE 36 HN ILE 36 7.165 4.456 -15.773 139 HA ILE 36 HA ILE 36 8.102 3.317 -13.360 140 HB ILE 36 HB ILE 36 6.340 2.265 -14.756 141 HG12 ILE 36 HG12 ILE 36 8.718 0.461 -14.263 142 HG13 ILE 36 HG11 ILE 36 7.591 1.000 -13.022 143 HG21 ILE 36 HG21 ILE 36 8.622 1.486 -16.564 144 HG22 ILE 36 HG22 ILE 36 7.307 2.593 -16.958 145 HG23 ILE 36 HG23 ILE 36 6.968 0.886 -16.676 146 HD11 ILE 36 HD11 ILE 36 7.087 -1.259 -13.759 147 HD12 ILE 36 HD12 ILE 36 6.896 -0.691 -15.417 148 HD13 ILE 36 HD13 ILE 36 5.773 -0.158 -14.167 149 H ALA 37 HN ALA 37 9.589 3.805 -16.492 150 HA ALA 37 HA ALA 37 11.892 2.217 -16.048 151 HB1 ALA 37 HB1 ALA 37 11.226 2.967 -18.282 152 HB2 ALA 37 HB2 ALA 37 12.880 3.454 -17.905 153 HB3 ALA 37 HB3 ALA 37 11.573 4.635 -17.825 154 H VAL 38 HN VAL 38 11.182 5.658 -15.529 155 HA VAL 38 HA VAL 38 13.640 6.477 -14.507 156 HB VAL 38 HB VAL 38 10.860 7.391 -13.716 157 HG11 VAL 38 HG11 VAL 38 11.944 9.412 -12.836 158 HG12 VAL 38 HG12 VAL 38 13.523 8.685 -13.138 159 HG13 VAL 38 HG13 VAL 38 12.435 7.967 -11.952 160 HG21 VAL 38 HG21 VAL 38 12.892 8.554 -15.617 161 HG22 VAL 38 HG22 VAL 38 11.348 9.292 -15.189 162 HG23 VAL 38 HG23 VAL 38 11.381 7.759 -16.061 163 H LEU 39 HN LEU 39 10.817 5.240 -12.729 164 HA LEU 39 HA LEU 39 11.949 5.210 -10.179 165 HB2 LEU 39 HB2 LEU 39 9.710 3.737 -11.494 166 HB3 LEU 39 HB1 LEU 39 10.271 3.171 -9.934 167 HG LEU 39 HG LEU 39 8.318 4.662 -9.753 168 HD11 LEU 39 HD11 LEU 39 10.870 5.746 -8.584 169 HD12 LEU 39 HD12 LEU 39 9.832 4.505 -7.883 170 HD13 LEU 39 HD13 LEU 39 9.247 6.161 -8.038 171 HD21 LEU 39 HD21 LEU 39 8.561 7.056 -10.180 172 HD22 LEU 39 HD22 LEU 39 8.750 6.115 -11.660 173 HD23 LEU 39 HD23 LEU 39 10.170 6.775 -10.847 174 H GLN 40 HN GLN 40 11.806 2.597 -12.588 175 HA GLN 40 HA GLN 40 13.137 0.680 -11.009 176 HB2 GLN 40 HB2 GLN 40 11.730 0.164 -12.978 177 HB3 GLN 40 HB1 GLN 40 12.963 0.856 -14.019 178 HG2 GLN 40 HG2 GLN 40 14.510 -0.863 -13.453 179 HG3 GLN 40 HG1 GLN 40 13.438 -1.487 -12.200 180 HE21 GLN 40 HE21 GLN 40 11.612 -2.660 -12.800 181 HE22 GLN 40 HE22 GLN 40 11.418 -3.323 -14.385 182 H MET 41 HN MET 41 14.310 3.072 -13.316 183 HA MET 41 HA MET 41 16.976 2.147 -13.464 184 HB2 MET 41 HB2 MET 41 15.924 3.723 -15.079 185 HB3 MET 41 HB1 MET 41 15.956 4.969 -13.841 186 HG2 MET 41 HG2 MET 41 18.416 4.792 -13.779 187 HG3 MET 41 HG1 MET 41 18.337 3.629 -15.100 188 HE1 MET 41 HE1 MET 41 20.008 5.075 -16.493 189 HE2 MET 41 HE2 MET 41 20.104 6.328 -15.253 190 HE3 MET 41 HE3 MET 41 19.755 6.765 -16.926 191 H HIS 42 HN HIS 42 15.284 3.990 -11.071 192 HA HIS 42 HA HIS 42 17.752 4.908 -9.830 193 HB2 HIS 42 HB2 HIS 42 14.843 5.374 -9.210 194 HB3 HIS 42 HB1 HIS 42 16.104 5.805 -8.059 195 HD1 HIS 42 HD1 HIS 42 17.941 7.568 -9.002 196 HD2 HIS 42 HD2 HIS 42 14.366 7.270 -11.114 197 HE1 HIS 42 HE1 HIS 42 17.808 9.644 -10.422 198 HE2 HIS 42 HE2 HIS 42 15.698 9.385 -11.783 199 H ASN 43 HN ASN 43 16.496 2.035 -10.022 200 HA ASN 43 HA ASN 43 16.889 0.106 -8.909 201 HB2 ASN 43 HB2 ASN 43 18.589 1.891 -7.169 202 HB3 ASN 43 HB1 ASN 43 18.512 0.142 -6.983 203 HD21 ASN 43 HD21 ASN 43 19.686 2.770 -8.884 204 HD22 ASN 43 HD22 ASN 43 20.683 1.834 -9.945 205 H ILE 44 HN ILE 44 14.607 1.857 -8.149 206 HA ILE 44 HA ILE 44 14.126 0.672 -5.496 207 HB ILE 44 HB ILE 44 13.947 3.125 -5.483 208 HG12 ILE 44 HG12 ILE 44 11.246 1.787 -5.210 209 HG13 ILE 44 HG11 ILE 44 12.511 1.784 -3.985 210 HG21 ILE 44 HG21 ILE 44 11.767 2.733 -7.524 211 HG22 ILE 44 HG22 ILE 44 13.327 3.512 -7.788 212 HG23 ILE 44 HG23 ILE 44 12.142 4.253 -6.711 213 HD11 ILE 44 HD11 ILE 44 12.346 4.212 -3.816 214 HD12 ILE 44 HD12 ILE 44 10.805 3.423 -3.474 215 HD13 ILE 44 HD13 ILE 44 11.069 4.206 -5.033 216 H GLU 45 HN GLU 45 12.204 -0.502 -5.170 217 HA GLU 45 HA GLU 45 11.393 -2.000 -7.430 218 HB2 GLU 45 HB2 GLU 45 9.632 -2.923 -5.805 219 HB3 GLU 45 HB1 GLU 45 11.324 -3.201 -5.433 220 HG2 GLU 45 HG2 GLU 45 9.929 -0.849 -4.246 221 HG3 GLU 45 HG1 GLU 45 9.659 -2.457 -3.576 222 H ALA 46 HN ALA 46 10.309 -1.086 -9.005 223 HA ALA 46 HA ALA 46 8.042 0.668 -8.413 224 HB1 ALA 46 HB1 ALA 46 9.722 1.455 -10.038 225 HB2 ALA 46 HB2 ALA 46 8.126 1.272 -10.766 226 HB3 ALA 46 HB3 ALA 46 9.371 0.059 -11.054 227 H ASN 47 HN ASN 47 6.132 -0.276 -8.243 228 HA ASN 47 HA ASN 47 5.659 -2.767 -9.738 229 HB2 ASN 47 HB2 ASN 47 5.504 -2.668 -7.154 230 HB3 ASN 47 HB1 ASN 47 3.999 -1.796 -7.419 231 HD21 ASN 47 HD21 ASN 47 4.528 -4.425 -6.207 232 HD22 ASN 47 HD22 ASN 47 3.548 -5.543 -7.090 233 H LYS 48 HN LYS 48 3.765 -3.016 -10.901 234 HA LYS 48 HA LYS 48 2.728 -0.523 -11.976 235 HB2 LYS 48 HB2 LYS 48 3.502 -2.072 -13.603 236 HB3 LYS 48 HB1 LYS 48 2.637 -3.404 -12.860 237 HG2 LYS 48 HG2 LYS 48 1.012 -1.153 -13.890 238 HG3 LYS 48 HG1 LYS 48 1.809 -2.189 -15.075 239 HD2 LYS 48 HD2 LYS 48 0.797 -4.152 -13.813 240 HD3 LYS 48 HD1 LYS 48 -0.195 -2.963 -12.966 241 HE2 LYS 48 HE2 LYS 48 -1.132 -2.211 -15.082 242 HE3 LYS 48 HE1 LYS 48 -0.096 -3.337 -15.961 243 HZ1 LYS 48 HZ1 LYS 48 -1.222 -5.163 -14.770 244 HZ2 LYS 48 HZ2 LYS 48 -2.278 -4.265 -15.748 245 HZ3 LYS 48 HZ3 LYS 48 -2.280 -4.034 -14.070 246 H ILE 49 HN ILE 49 0.838 0.303 -11.373 247 HA ILE 49 HA ILE 49 -1.226 -1.546 -10.376 248 HB ILE 49 HB ILE 49 -2.119 0.363 -9.017 249 HG12 ILE 49 HG12 ILE 49 0.586 1.597 -9.578 250 HG13 ILE 49 HG11 ILE 49 -0.940 2.174 -10.235 251 HG21 ILE 49 HG21 ILE 49 0.640 -0.640 -8.351 252 HG22 ILE 49 HG22 ILE 49 -0.894 -1.421 -7.959 253 HG23 ILE 49 HG23 ILE 49 -0.466 0.118 -7.208 254 HD11 ILE 49 HD11 ILE 49 -0.185 3.511 -8.338 255 HD12 ILE 49 HD12 ILE 49 -0.232 2.078 -7.310 256 HD13 ILE 49 HD13 ILE 49 -1.722 2.715 -8.005 257 H ASP 50 HN ASP 50 -2.876 -1.680 -11.712 258 HA ASP 50 HA ASP 50 -3.615 0.687 -13.297 259 HB2 ASP 50 HB2 ASP 50 -4.697 -0.812 -14.872 260 HB3 ASP 50 HB1 ASP 50 -3.034 -1.329 -14.626 261 H SER 51 HN SER 51 -5.643 1.509 -13.160 262 HA SER 51 HA SER 51 -7.790 0.077 -11.870 263 HB2 SER 51 HB2 SER 51 -6.716 2.613 -10.595 264 HB3 SER 51 HB1 SER 51 -8.179 1.758 -10.110 265 HG SER 51 HG SER 51 -6.117 0.045 -10.160 266 H GLY 52 HN GLY 52 -9.837 1.106 -12.213 267 HA2 GLY 52 HA2 GLY 52 -10.050 2.468 -14.657 268 HA3 GLY 52 HA1 GLY 52 -11.332 2.322 -13.465 269 H LYS 53 HN LYS 53 -10.176 3.719 -11.350 270 HA LYS 53 HA LYS 53 -10.835 6.384 -12.134 271 HB2 LYS 53 HB2 LYS 53 -10.451 6.941 -9.785 272 HB3 LYS 53 HB1 LYS 53 -11.408 5.471 -9.921 273 HG2 LYS 53 HG2 LYS 53 -9.406 4.130 -9.503 274 HG3 LYS 53 HG1 LYS 53 -8.451 5.605 -9.357 275 HD2 LYS 53 HD2 LYS 53 -9.812 6.293 -7.443 276 HD3 LYS 53 HD1 LYS 53 -10.764 4.812 -7.591 277 HE2 LYS 53 HE2 LYS 53 -8.696 3.501 -7.226 278 HE3 LYS 53 HE1 LYS 53 -7.816 5.009 -6.976 279 HZ1 LYS 53 HZ1 LYS 53 -10.060 3.985 -5.317 280 HZ2 LYS 53 HZ2 LYS 53 -9.303 5.487 -5.103 281 HZ3 LYS 53 HZ3 LYS 53 -8.423 4.058 -4.871 282 H LEU 54 HN LEU 54 -7.931 4.653 -12.206 283 HA LEU 54 HA LEU 54 -6.332 7.075 -11.708 284 HB2 LEU 54 HB2 LEU 54 -6.163 5.100 -10.115 285 HB3 LEU 54 HB1 LEU 54 -5.390 4.232 -11.427 286 HG LEU 54 HG LEU 54 -3.609 5.957 -11.473 287 HD11 LEU 54 HD11 LEU 54 -4.952 6.966 -8.967 288 HD12 LEU 54 HD12 LEU 54 -4.936 7.800 -10.519 289 HD13 LEU 54 HD13 LEU 54 -3.428 7.542 -9.642 290 HD21 LEU 54 HD21 LEU 54 -2.501 5.211 -9.438 291 HD22 LEU 54 HD22 LEU 54 -3.340 3.869 -10.218 292 HD23 LEU 54 HD23 LEU 54 -4.041 4.641 -8.794 293 H GLY 55 HN GLY 55 -6.713 4.240 -13.761 294 HA2 GLY 55 HA2 GLY 55 -6.067 4.055 -16.012 295 HA3 GLY 55 HA1 GLY 55 -5.037 5.471 -15.814 296 H TYR 56 HN TYR 56 -2.993 4.908 -16.140 297 HA TYR 56 HA TYR 56 -2.019 2.504 -14.753 298 HB2 TYR 56 HB2 TYR 56 -1.264 3.696 -17.393 299 HB3 TYR 56 HB1 TYR 56 -0.060 2.796 -16.475 300 HD1 TYR 56 HD1 TYR 56 -3.229 2.561 -18.323 301 HD2 TYR 56 HD2 TYR 56 -0.246 0.420 -16.175 302 HE1 TYR 56 HE1 TYR 56 -4.117 0.443 -19.207 303 HE2 TYR 56 HE2 TYR 56 -1.123 -1.697 -17.054 304 HH TYR 56 HH TYR 56 -3.220 -1.898 -19.639 305 H SER 57 HN SER 57 -0.781 2.900 -13.077 306 HA SER 57 HA SER 57 1.009 5.203 -13.140 307 HB2 SER 57 HB2 SER 57 -0.897 4.588 -10.871 308 HB3 SER 57 HB1 SER 57 0.387 5.797 -10.813 309 HG SER 57 HG SER 57 -1.320 5.980 -12.979 310 H ILE 58 HN ILE 58 2.511 5.099 -11.178 311 HA ILE 58 HA ILE 58 3.423 2.313 -10.940 312 HB ILE 58 HB ILE 58 5.107 4.774 -10.459 313 HG12 ILE 58 HG12 ILE 58 4.280 4.954 -12.734 314 HG13 ILE 58 HG11 ILE 58 5.974 4.478 -12.768 315 HG21 ILE 58 HG21 ILE 58 5.841 1.937 -11.164 316 HG22 ILE 58 HG22 ILE 58 5.951 2.665 -9.563 317 HG23 ILE 58 HG23 ILE 58 6.968 3.263 -10.874 318 HD11 ILE 58 HD11 ILE 58 5.301 2.162 -13.189 319 HD12 ILE 58 HD12 ILE 58 4.697 3.267 -14.424 320 HD13 ILE 58 HD13 ILE 58 3.607 2.662 -13.175 321 H THR 59 HN THR 59 3.835 1.464 -8.917 322 HA THR 59 HA THR 59 3.512 3.308 -6.647 323 HB THR 59 HB THR 59 1.517 1.745 -7.033 324 HG1 THR 59 HG1 THR 59 1.659 2.720 -5.067 325 HG21 THR 59 HG21 THR 59 2.773 -0.284 -7.552 326 HG22 THR 59 HG22 THR 59 1.758 -0.526 -6.132 327 HG23 THR 59 HG23 THR 59 3.491 -0.262 -5.944 328 H VAL 60 HN VAL 60 4.677 2.736 -4.763 329 HA VAL 60 HA VAL 60 6.834 0.787 -5.137 330 HB VAL 60 HB VAL 60 8.448 2.345 -4.126 331 HG11 VAL 60 HG11 VAL 60 7.132 3.404 -6.624 332 HG12 VAL 60 HG12 VAL 60 8.382 2.161 -6.543 333 HG13 VAL 60 HG13 VAL 60 8.755 3.819 -6.068 334 HG21 VAL 60 HG21 VAL 60 6.880 3.757 -2.897 335 HG22 VAL 60 HG22 VAL 60 6.259 4.401 -4.417 336 HG23 VAL 60 HG23 VAL 60 7.925 4.729 -3.935 337 H ALA 61 HN ALA 61 8.067 0.583 -2.956 338 HA ALA 61 HA ALA 61 6.480 -0.391 -0.937 339 HB1 ALA 61 HB1 ALA 61 8.905 -0.741 -1.072 340 HB2 ALA 61 HB2 ALA 61 8.417 -0.181 0.529 341 HB3 ALA 61 HB3 ALA 61 9.173 0.939 -0.607 342 H GLU 62 HN GLU 62 5.537 0.417 0.899 343 HA GLU 62 HA GLU 62 4.231 2.807 0.679 344 HB2 GLU 62 HB2 GLU 62 4.768 1.129 3.116 345 HB3 GLU 62 HB1 GLU 62 3.778 2.578 3.187 346 HG2 GLU 62 HG2 GLU 62 2.317 0.726 2.972 347 HG3 GLU 62 HG1 GLU 62 2.321 1.574 1.427 348 HA PRO 63 HA PRO 63 7.125 5.034 3.769 349 HB2 PRO 63 HB2 PRO 63 9.507 3.959 4.446 350 HB3 PRO 63 HB1 PRO 63 8.014 3.571 5.308 351 HG2 PRO 63 HG2 PRO 63 9.438 2.013 3.189 352 HG3 PRO 63 HG1 PRO 63 8.690 1.436 4.689 353 HD2 PRO 63 HD2 PRO 63 7.485 1.245 2.260 354 HD3 PRO 63 HD1 PRO 63 6.584 1.413 3.778 355 H ASP 64 HN ASP 64 8.084 3.618 0.867 356 HA ASP 64 HA ASP 64 10.244 5.566 0.462 357 HB2 ASP 64 HB2 ASP 64 9.564 2.961 -0.869 358 HB3 ASP 64 HB1 ASP 64 10.559 4.149 -1.705 359 H PHE 65 HN PHE 65 7.115 5.681 0.254 360 HA PHE 65 HA PHE 65 6.458 6.366 -2.378 361 HB2 PHE 65 HB2 PHE 65 4.795 5.983 -0.594 362 HB3 PHE 65 HB1 PHE 65 5.297 7.475 0.191 363 HD1 PHE 65 HD2 PHE 65 3.848 6.152 -2.964 364 HD2 PHE 65 HD1 PHE 65 4.300 9.493 -0.366 365 HE1 PHE 65 HE2 PHE 65 2.197 7.402 -4.291 366 HE2 PHE 65 HE1 PHE 65 2.648 10.747 -1.687 367 HZ PHE 65 HZ PHE 65 1.595 9.702 -3.650 368 H THR 66 HN THR 66 7.881 8.240 0.228 369 HA THR 66 HA THR 66 7.760 10.769 -0.971 370 HB THR 66 HB THR 66 8.281 10.493 1.395 371 HG1 THR 66 HG1 THR 66 9.580 12.203 1.435 372 HG21 THR 66 HG21 THR 66 9.631 8.475 1.309 373 HG22 THR 66 HG22 THR 66 10.521 9.764 2.121 374 HG23 THR 66 HG23 THR 66 10.908 9.339 0.453 375 H ALA 67 HN ALA 67 10.053 8.124 -1.340 376 HA ALA 67 HA ALA 67 11.976 9.608 -2.829 377 HB1 ALA 67 HB1 ALA 67 11.508 6.630 -2.751 378 HB2 ALA 67 HB2 ALA 67 12.552 7.534 -1.654 379 HB3 ALA 67 HB3 ALA 67 12.945 7.443 -3.371 380 H ALA 68 HN ALA 68 9.227 7.560 -3.663 381 HA ALA 68 HA ALA 68 9.507 7.512 -6.440 382 HB1 ALA 68 HB1 ALA 68 7.137 7.034 -6.525 383 HB2 ALA 68 HB2 ALA 68 6.928 7.637 -4.882 384 HB3 ALA 68 HB3 ALA 68 7.868 6.173 -5.170 385 H VAL 69 HN VAL 69 7.758 9.836 -4.392 386 HA VAL 69 HA VAL 69 6.951 11.560 -6.472 387 HB VAL 69 HB VAL 69 7.485 12.267 -3.578 388 HG11 VAL 69 HG11 VAL 69 5.885 14.096 -3.966 389 HG12 VAL 69 HG12 VAL 69 5.832 13.668 -5.678 390 HG13 VAL 69 HG13 VAL 69 7.334 14.251 -4.958 391 HG21 VAL 69 HG21 VAL 69 5.065 11.921 -3.276 392 HG22 VAL 69 HG22 VAL 69 5.907 10.443 -3.739 393 HG23 VAL 69 HG23 VAL 69 4.960 11.332 -4.933 394 H TYR 70 HN TYR 70 9.869 11.383 -4.529 395 HA TYR 70 HA TYR 70 11.022 13.831 -5.280 396 HB2 TYR 70 HB2 TYR 70 11.740 12.293 -3.398 397 HB3 TYR 70 HB1 TYR 70 12.528 11.301 -4.618 398 HD1 TYR 70 HD2 TYR 70 12.541 14.605 -2.979 399 HD2 TYR 70 HD1 TYR 70 14.628 11.941 -5.557 400 HE1 TYR 70 HE2 TYR 70 14.532 16.037 -2.833 401 HE2 TYR 70 HE1 TYR 70 16.629 13.366 -5.416 402 HH TYR 70 HH TYR 70 17.195 15.715 -4.901 403 H TRP 71 HN TRP 71 11.119 10.630 -6.766 404 HA TRP 71 HA TRP 71 12.999 11.353 -8.784 405 HB2 TRP 71 HB2 TRP 71 10.997 9.082 -8.780 406 HB3 TRP 71 HB1 TRP 71 12.370 9.242 -9.868 407 HD1 TRP 71 HD1 TRP 71 11.701 6.930 -7.526 408 HE1 TRP 71 HE1 TRP 71 13.638 6.304 -5.956 409 HE3 TRP 71 HE3 TRP 71 14.656 11.048 -8.199 410 HZ2 TRP 71 HZ2 TRP 71 16.088 7.409 -5.110 411 HZ3 TRP 71 HZ3 TRP 71 16.771 11.189 -6.962 412 HH2 TRP 71 HH2 TRP 71 17.477 9.406 -5.454 413 H ILE 72 HN ILE 72 9.524 11.504 -8.498 414 HA ILE 72 HA ILE 72 8.894 11.932 -11.212 415 HB ILE 72 HB ILE 72 7.422 12.932 -8.767 416 HG12 ILE 72 HG12 ILE 72 7.685 10.514 -8.719 417 HG13 ILE 72 HG11 ILE 72 6.014 10.927 -9.081 418 HG21 ILE 72 HG21 ILE 72 5.445 12.977 -10.234 419 HG22 ILE 72 HG22 ILE 72 6.481 12.597 -11.610 420 HG23 ILE 72 HG23 ILE 72 6.689 14.119 -10.741 421 HD11 ILE 72 HD11 ILE 72 6.417 10.471 -11.446 422 HD12 ILE 72 HD12 ILE 72 6.778 9.066 -10.439 423 HD13 ILE 72 HD13 ILE 72 8.090 10.057 -11.077 424 H LYS 73 HN LYS 73 10.412 13.953 -8.891 425 HA LYS 73 HA LYS 73 9.634 16.463 -9.904 426 HB2 LYS 73 HB2 LYS 73 11.718 15.486 -8.052 427 HB3 LYS 73 HB1 LYS 73 12.018 17.050 -8.805 428 HG2 LYS 73 HG2 LYS 73 9.540 16.300 -7.259 429 HG3 LYS 73 HG1 LYS 73 10.876 17.290 -6.656 430 HD2 LYS 73 HD2 LYS 73 10.346 19.072 -8.001 431 HD3 LYS 73 HD1 LYS 73 9.561 18.062 -9.211 432 HE2 LYS 73 HE2 LYS 73 7.774 17.650 -7.432 433 HE3 LYS 73 HE1 LYS 73 8.491 19.018 -6.577 434 HZ1 LYS 73 HZ1 LYS 73 8.138 20.366 -8.579 435 HZ2 LYS 73 HZ2 LYS 73 6.677 19.766 -7.959 436 HZ3 LYS 73 HZ3 LYS 73 7.376 19.047 -9.334 437 H THR 74 HN THR 74 11.752 14.129 -11.203 438 HA THR 74 HA THR 74 13.169 16.056 -12.839 439 HB THR 74 HB THR 74 14.141 14.049 -13.969 440 HG1 THR 74 HG1 THR 74 12.596 12.652 -12.006 441 HG21 THR 74 HG21 THR 74 15.282 15.092 -12.088 442 HG22 THR 74 HG22 THR 74 15.504 13.342 -12.056 443 HG23 THR 74 HG23 THR 74 14.352 14.105 -10.958 444 H TYR 75 HN TYR 75 10.126 14.982 -12.824 445 HA TYR 75 HA TYR 75 9.852 15.135 -15.752 446 HB2 TYR 75 HB2 TYR 75 9.299 12.890 -14.992 447 HB3 TYR 75 HB1 TYR 75 8.203 13.536 -13.777 448 HD1 TYR 75 HD1 TYR 75 8.692 13.014 -17.402 449 HD2 TYR 75 HD2 TYR 75 5.967 14.163 -14.342 450 HE1 TYR 75 HE1 TYR 75 6.834 12.857 -19.006 451 HE2 TYR 75 HE2 TYR 75 4.103 14.011 -15.938 452 HH TYR 75 HH TYR 75 4.343 12.493 -18.920 453 H GLN 76 HN GLN 76 8.395 15.890 -12.614 454 HA GLN 76 HA GLN 76 6.980 18.125 -13.892 455 HB2 GLN 76 HB2 GLN 76 5.435 16.204 -13.398 456 HB3 GLN 76 HB1 GLN 76 5.815 16.398 -11.693 457 HG2 GLN 76 HG2 GLN 76 3.725 17.468 -12.160 458 HG3 GLN 76 HG1 GLN 76 4.932 18.700 -11.791 459 HE21 GLN 76 HE21 GLN 76 2.904 17.311 -14.253 460 HE22 GLN 76 HE22 GLN 76 3.155 18.554 -15.437 Start of MODEL 13 1 H1 LYS 19 HT1 LYS 19 -0.540 0.226 -0.074 2 H2 LYS 19 HT2 LYS 19 0.517 -0.934 0.563 3 H3 LYS 19 HT3 LYS 19 -0.939 -1.417 -0.156 4 HA LYS 19 HA LYS 19 1.314 -0.098 -1.535 5 HB2 LYS 19 HB2 LYS 19 1.246 -2.420 -2.767 6 HB3 LYS 19 HB1 LYS 19 2.124 -2.229 -1.258 7 HG2 LYS 19 HG2 LYS 19 0.992 -4.220 -0.958 8 HG3 LYS 19 HG1 LYS 19 -0.053 -3.057 -0.146 9 HD2 LYS 19 HD2 LYS 19 -1.435 -2.941 -2.201 10 HD3 LYS 19 HD1 LYS 19 -0.423 -4.200 -2.910 11 HE2 LYS 19 HE2 LYS 19 -1.041 -5.702 -1.061 12 HE3 LYS 19 HE1 LYS 19 -2.100 -4.448 -0.417 13 HZ1 LYS 19 HZ1 LYS 19 -3.493 -5.834 -1.638 14 HZ2 LYS 19 HZ2 LYS 19 -2.393 -6.003 -2.915 15 HZ3 LYS 19 HZ3 LYS 19 -3.214 -4.533 -2.691 16 H ASP 20 HN ASP 20 -0.843 1.267 -1.789 17 HA ASP 20 HA ASP 20 -1.703 0.773 -4.517 18 HB2 ASP 20 HB2 ASP 20 -4.121 1.195 -3.869 19 HB3 ASP 20 HB1 ASP 20 -3.476 -0.378 -3.414 20 H LYS 21 HN LYS 21 -0.031 2.686 -3.136 21 HA LYS 21 HA LYS 21 -1.486 5.123 -2.793 22 HB2 LYS 21 HB2 LYS 21 1.474 4.578 -3.045 23 HB3 LYS 21 HB1 LYS 21 0.791 6.155 -2.683 24 HG2 LYS 21 HG2 LYS 21 0.402 3.705 -0.972 25 HG3 LYS 21 HG1 LYS 21 1.645 4.925 -0.701 26 HD2 LYS 21 HD2 LYS 21 -0.068 5.560 0.746 27 HD3 LYS 21 HD1 LYS 21 -0.310 6.603 -0.655 28 HE2 LYS 21 HE2 LYS 21 -2.020 5.029 -1.487 29 HE3 LYS 21 HE1 LYS 21 -1.809 4.061 -0.030 30 HZ1 LYS 21 HZ1 LYS 21 -3.708 5.503 0.178 31 HZ2 LYS 21 HZ2 LYS 21 -2.758 6.872 -0.146 32 HZ3 LYS 21 HZ3 LYS 21 -2.506 5.987 1.276 33 H ASP 22 HN ASP 22 -2.285 6.278 -4.385 34 HA ASP 22 HA ASP 22 -1.618 5.888 -7.102 35 HB2 ASP 22 HB2 ASP 22 -3.022 7.955 -7.473 36 HB3 ASP 22 HB1 ASP 22 -3.826 6.647 -6.614 37 H LEU 23 HN LEU 23 -0.168 6.805 -8.357 38 HA LEU 23 HA LEU 23 1.533 8.915 -7.201 39 HB2 LEU 23 HB2 LEU 23 2.509 6.606 -7.696 40 HB3 LEU 23 HB1 LEU 23 2.277 6.980 -9.391 41 HG LEU 23 HG LEU 23 3.780 8.943 -9.122 42 HD11 LEU 23 HD11 LEU 23 4.239 7.769 -6.384 43 HD12 LEU 23 HD12 LEU 23 3.493 9.326 -6.744 44 HD13 LEU 23 HD13 LEU 23 5.194 9.054 -7.121 45 HD21 LEU 23 HD21 LEU 23 5.837 7.637 -9.039 46 HD22 LEU 23 HD22 LEU 23 4.600 6.809 -9.985 47 HD23 LEU 23 HD23 LEU 23 4.958 6.278 -8.342 48 H LEU 24 HN LEU 24 0.066 7.691 -10.161 49 HA LEU 24 HA LEU 24 -0.057 10.415 -11.244 50 HB2 LEU 24 HB2 LEU 24 0.869 7.958 -12.747 51 HB3 LEU 24 HB1 LEU 24 0.536 9.515 -13.484 52 HG LEU 24 HG LEU 24 2.650 9.126 -11.367 53 HD11 LEU 24 HD11 LEU 24 4.274 9.098 -13.189 54 HD12 LEU 24 HD12 LEU 24 2.959 9.085 -14.363 55 HD13 LEU 24 HD13 LEU 24 3.182 7.716 -13.274 56 HD21 LEU 24 HD21 LEU 24 3.519 11.233 -12.296 57 HD22 LEU 24 HD22 LEU 24 1.893 11.413 -11.637 58 HD23 LEU 24 HD23 LEU 24 2.130 11.312 -13.382 59 H LYS 25 HN LYS 25 -1.939 10.819 -12.383 60 HA LYS 25 HA LYS 25 -3.894 8.625 -12.266 61 HB2 LYS 25 HB2 LYS 25 -4.323 11.590 -11.892 62 HB3 LYS 25 HB1 LYS 25 -5.617 10.400 -11.977 63 HG2 LYS 25 HG2 LYS 25 -4.733 9.292 -9.991 64 HG3 LYS 25 HG1 LYS 25 -3.431 10.479 -9.906 65 HD2 LYS 25 HD2 LYS 25 -5.061 11.185 -8.349 66 HD3 LYS 25 HD1 LYS 25 -5.227 12.250 -9.742 67 HE2 LYS 25 HE2 LYS 25 -6.934 9.807 -9.299 68 HE3 LYS 25 HE1 LYS 25 -7.379 11.418 -8.745 69 HZ1 LYS 25 HZ1 LYS 25 -7.046 10.496 -11.549 70 HZ2 LYS 25 HZ2 LYS 25 -7.161 12.134 -11.126 71 HZ3 LYS 25 HZ3 LYS 25 -8.450 11.082 -10.802 72 H GLY 26 HN GLY 26 -4.676 7.935 -14.099 73 HA2 GLY 26 HA2 GLY 26 -5.690 8.048 -16.187 74 HA3 GLY 26 HA1 GLY 26 -5.382 9.778 -16.216 75 H LEU 27 HN LEU 27 -3.064 7.157 -15.763 76 HA LEU 27 HA LEU 27 -1.747 8.034 -18.243 77 HB2 LEU 27 HB2 LEU 27 -0.563 8.481 -16.036 78 HB3 LEU 27 HB1 LEU 27 -0.404 6.743 -15.874 79 HG LEU 27 HG LEU 27 0.859 6.720 -18.034 80 HD11 LEU 27 HD11 LEU 27 0.003 8.817 -18.950 81 HD12 LEU 27 HD12 LEU 27 1.765 8.826 -18.863 82 HD13 LEU 27 HD13 LEU 27 0.818 9.713 -17.668 83 HD21 LEU 27 HD21 LEU 27 1.994 6.670 -15.870 84 HD22 LEU 27 HD22 LEU 27 2.011 8.433 -15.837 85 HD23 LEU 27 HD23 LEU 27 2.927 7.565 -17.069 86 H ASP 28 HN ASP 28 -1.542 6.541 -19.783 87 HA ASP 28 HA ASP 28 -2.407 3.836 -19.359 88 HB2 ASP 28 HB2 ASP 28 -1.133 5.177 -21.757 89 HB3 ASP 28 HB1 ASP 28 -1.736 3.525 -21.750 90 H GLN 29 HN GLN 29 -1.065 1.946 -19.864 91 HA GLN 29 HA GLN 29 1.446 1.942 -18.595 92 HB2 GLN 29 HB2 GLN 29 0.159 -0.107 -18.844 93 HB3 GLN 29 HB1 GLN 29 0.271 -0.001 -20.595 94 HG2 GLN 29 HG2 GLN 29 2.718 -0.265 -20.419 95 HG3 GLN 29 HG1 GLN 29 2.540 -0.475 -18.679 96 HE21 GLN 29 HE21 GLN 29 3.444 -2.531 -18.791 97 HE22 GLN 29 HE22 GLN 29 2.576 -3.886 -19.430 98 H GLU 30 HN GLU 30 0.466 2.417 -21.903 99 HA GLU 30 HA GLU 30 2.958 2.231 -23.180 100 HB2 GLU 30 HB2 GLU 30 0.717 4.089 -23.971 101 HB3 GLU 30 HB1 GLU 30 1.911 3.337 -25.019 102 HG2 GLU 30 HG2 GLU 30 0.923 1.162 -24.635 103 HG3 GLU 30 HG1 GLU 30 -0.230 1.863 -23.500 104 H GLN 31 HN GLN 31 1.272 4.950 -21.682 105 HA GLN 31 HA GLN 31 3.330 6.836 -22.413 106 HB2 GLN 31 HB2 GLN 31 0.947 7.208 -20.590 107 HB3 GLN 31 HB1 GLN 31 1.931 8.483 -21.296 108 HG2 GLN 31 HG2 GLN 31 1.198 7.815 -23.526 109 HG3 GLN 31 HG1 GLN 31 0.213 6.537 -22.817 110 HE21 GLN 31 HE21 GLN 31 -1.669 7.358 -23.665 111 HE22 GLN 31 HE22 GLN 31 -2.417 8.797 -23.057 112 H ALA 32 HN ALA 32 2.561 4.802 -19.750 113 HA ALA 32 HA ALA 32 3.890 6.123 -17.664 114 HB1 ALA 32 HB1 ALA 32 3.561 3.149 -18.047 115 HB2 ALA 32 HB2 ALA 32 2.358 4.228 -17.339 116 HB3 ALA 32 HB3 ALA 32 3.906 3.983 -16.531 117 H ASN 33 HN ASN 33 5.067 4.563 -20.428 118 HA ASN 33 HA ASN 33 7.458 3.411 -19.801 119 HB2 ASN 33 HB2 ASN 33 6.458 3.531 -22.068 120 HB3 ASN 33 HB1 ASN 33 6.939 5.222 -22.170 121 HD21 ASN 33 HD21 ASN 33 8.009 1.925 -22.163 122 HD22 ASN 33 HD22 ASN 33 9.617 2.233 -22.746 123 H GLU 34 HN GLU 34 6.829 6.876 -20.201 124 HA GLU 34 HA GLU 34 9.527 7.705 -20.060 125 HB2 GLU 34 HB2 GLU 34 7.087 9.295 -19.256 126 HB3 GLU 34 HB1 GLU 34 8.654 9.938 -19.725 127 HG2 GLU 34 HG2 GLU 34 8.313 8.952 -21.979 128 HG3 GLU 34 HG1 GLU 34 6.685 8.493 -21.479 129 H VAL 35 HN VAL 35 7.022 7.321 -17.618 130 HA VAL 35 HA VAL 35 8.613 8.511 -15.545 131 HB VAL 35 HB VAL 35 6.015 6.990 -15.304 132 HG11 VAL 35 HG11 VAL 35 5.776 8.199 -13.185 133 HG12 VAL 35 HG12 VAL 35 7.378 8.903 -13.413 134 HG13 VAL 35 HG13 VAL 35 7.204 7.161 -13.191 135 HG21 VAL 35 HG21 VAL 35 4.932 9.170 -15.308 136 HG22 VAL 35 HG22 VAL 35 5.825 8.915 -16.809 137 HG23 VAL 35 HG23 VAL 35 6.492 9.957 -15.552 138 H ILE 36 HN ILE 36 7.605 5.214 -16.414 139 HA ILE 36 HA ILE 36 8.597 3.970 -14.086 140 HB ILE 36 HB ILE 36 7.019 2.858 -15.627 141 HG12 ILE 36 HG12 ILE 36 9.601 1.326 -15.237 142 HG13 ILE 36 HG11 ILE 36 8.361 1.558 -14.009 143 HG21 ILE 36 HG21 ILE 36 7.964 3.544 -17.758 144 HG22 ILE 36 HG22 ILE 36 7.845 1.785 -17.672 145 HG23 ILE 36 HG23 ILE 36 9.405 2.574 -17.448 146 HD11 ILE 36 HD11 ILE 36 6.773 0.312 -15.376 147 HD12 ILE 36 HD12 ILE 36 8.209 -0.646 -15.014 148 HD13 ILE 36 HD13 ILE 36 8.012 0.082 -16.608 149 H ALA 37 HN ALA 37 10.140 4.920 -17.080 150 HA ALA 37 HA ALA 37 12.556 3.519 -16.798 151 HB1 ALA 37 HB1 ALA 37 11.894 4.648 -18.870 152 HB2 ALA 37 HB2 ALA 37 13.493 5.165 -18.335 153 HB3 ALA 37 HB3 ALA 37 12.098 6.212 -18.080 154 H VAL 38 HN VAL 38 11.473 6.632 -15.535 155 HA VAL 38 HA VAL 38 13.900 7.501 -14.423 156 HB VAL 38 HB VAL 38 11.087 8.038 -13.451 157 HG11 VAL 38 HG11 VAL 38 12.021 10.026 -12.378 158 HG12 VAL 38 HG12 VAL 38 13.639 9.547 -12.890 159 HG13 VAL 38 HG13 VAL 38 12.750 8.552 -11.737 160 HG21 VAL 38 HG21 VAL 38 11.268 10.122 -14.731 161 HG22 VAL 38 HG22 VAL 38 11.403 8.707 -15.773 162 HG23 VAL 38 HG23 VAL 38 12.848 9.615 -15.327 163 H LEU 39 HN LEU 39 11.166 5.819 -12.867 164 HA LEU 39 HA LEU 39 12.405 5.476 -10.374 165 HB2 LEU 39 HB2 LEU 39 10.174 3.997 -11.743 166 HB3 LEU 39 HB1 LEU 39 10.746 3.517 -10.161 167 HG LEU 39 HG LEU 39 8.805 4.845 -9.840 168 HD11 LEU 39 HD11 LEU 39 10.602 5.255 -8.260 169 HD12 LEU 39 HD12 LEU 39 9.638 6.708 -8.521 170 HD13 LEU 39 HD13 LEU 39 11.220 6.550 -9.286 171 HD21 LEU 39 HD21 LEU 39 8.564 7.112 -10.696 172 HD22 LEU 39 HD22 LEU 39 8.727 5.944 -12.007 173 HD23 LEU 39 HD23 LEU 39 10.098 6.957 -11.552 174 H GLN 40 HN GLN 40 12.306 3.379 -13.226 175 HA GLN 40 HA GLN 40 13.547 1.135 -12.109 176 HB2 GLN 40 HB2 GLN 40 12.382 1.253 -14.327 177 HB3 GLN 40 HB1 GLN 40 13.797 2.077 -14.967 178 HG2 GLN 40 HG2 GLN 40 15.157 0.092 -14.362 179 HG3 GLN 40 HG1 GLN 40 13.668 -0.725 -13.884 180 HE21 GLN 40 HE21 GLN 40 13.860 -2.330 -15.425 181 HE22 GLN 40 HE22 GLN 40 13.653 -2.020 -17.116 182 H MET 41 HN MET 41 14.967 3.916 -13.809 183 HA MET 41 HA MET 41 17.617 2.930 -13.730 184 HB2 MET 41 HB2 MET 41 16.565 5.736 -14.084 185 HB3 MET 41 HB1 MET 41 18.262 5.305 -14.232 186 HG2 MET 41 HG2 MET 41 16.000 4.302 -15.941 187 HG3 MET 41 HG1 MET 41 17.249 5.452 -16.408 188 HE1 MET 41 HE1 MET 41 19.814 4.817 -16.713 189 HE2 MET 41 HE2 MET 41 20.461 3.205 -16.414 190 HE3 MET 41 HE3 MET 41 19.848 4.171 -15.073 191 H HIS 42 HN HIS 42 15.682 4.635 -11.404 192 HA HIS 42 HA HIS 42 17.959 5.379 -9.776 193 HB2 HIS 42 HB2 HIS 42 14.988 5.668 -9.471 194 HB3 HIS 42 HB1 HIS 42 16.039 5.877 -8.073 195 HD1 HIS 42 HD1 HIS 42 17.667 7.920 -8.104 196 HD2 HIS 42 HD2 HIS 42 15.025 7.751 -11.316 197 HE1 HIS 42 HE1 HIS 42 17.747 10.193 -9.175 198 HE2 HIS 42 HE2 HIS 42 16.315 9.993 -11.242 199 H ASN 43 HN ASN 43 16.749 2.508 -10.459 200 HA ASN 43 HA ASN 43 17.048 0.449 -9.582 201 HB2 ASN 43 HB2 ASN 43 18.710 1.949 -7.550 202 HB3 ASN 43 HB1 ASN 43 18.634 0.195 -7.669 203 HD21 ASN 43 HD21 ASN 43 18.464 0.283 -10.612 204 HD22 ASN 43 HD22 ASN 43 20.067 0.655 -11.148 205 H ILE 44 HN ILE 44 14.869 2.309 -8.590 206 HA ILE 44 HA ILE 44 14.255 0.920 -6.084 207 HB ILE 44 HB ILE 44 14.028 3.401 -6.112 208 HG12 ILE 44 HG12 ILE 44 11.395 1.960 -5.724 209 HG13 ILE 44 HG11 ILE 44 12.716 1.972 -4.559 210 HG21 ILE 44 HG21 ILE 44 11.773 2.885 -8.038 211 HG22 ILE 44 HG22 ILE 44 13.299 3.686 -8.410 212 HG23 ILE 44 HG23 ILE 44 12.161 4.435 -7.289 213 HD11 ILE 44 HD11 ILE 44 10.975 3.562 -3.961 214 HD12 ILE 44 HD12 ILE 44 11.189 4.388 -5.505 215 HD13 ILE 44 HD13 ILE 44 12.495 4.381 -4.319 216 H GLU 45 HN GLU 45 12.316 -0.256 -5.867 217 HA GLU 45 HA GLU 45 11.801 -1.842 -8.159 218 HB2 GLU 45 HB2 GLU 45 11.834 -2.718 -5.849 219 HB3 GLU 45 HB1 GLU 45 10.369 -1.810 -5.504 220 HG2 GLU 45 HG2 GLU 45 9.178 -3.104 -7.209 221 HG3 GLU 45 HG1 GLU 45 10.647 -4.031 -7.512 222 H ALA 46 HN ALA 46 10.343 -1.585 -9.694 223 HA ALA 46 HA ALA 46 8.167 0.343 -9.267 224 HB1 ALA 46 HB1 ALA 46 8.029 0.501 -11.688 225 HB2 ALA 46 HB2 ALA 46 9.241 -0.767 -11.860 226 HB3 ALA 46 HB3 ALA 46 9.687 0.785 -11.154 227 H ASN 47 HN ASN 47 6.282 -0.541 -8.715 228 HA ASN 47 HA ASN 47 5.562 -3.150 -9.885 229 HB2 ASN 47 HB2 ASN 47 4.615 -1.899 -7.299 230 HB3 ASN 47 HB1 ASN 47 4.036 -3.426 -7.949 231 HD21 ASN 47 HD21 ASN 47 6.588 -1.785 -6.320 232 HD22 ASN 47 HD22 ASN 47 7.514 -3.193 -5.899 233 H LYS 48 HN LYS 48 3.288 -3.453 -10.424 234 HA LYS 48 HA LYS 48 2.199 -1.045 -11.644 235 HB2 LYS 48 HB2 LYS 48 1.373 -3.942 -11.807 236 HB3 LYS 48 HB1 LYS 48 0.547 -2.641 -12.646 237 HG2 LYS 48 HG2 LYS 48 2.639 -2.152 -13.862 238 HG3 LYS 48 HG1 LYS 48 3.379 -3.550 -13.074 239 HD2 LYS 48 HD2 LYS 48 1.714 -5.019 -14.049 240 HD3 LYS 48 HD1 LYS 48 0.890 -3.639 -14.774 241 HE2 LYS 48 HE2 LYS 48 2.886 -3.179 -16.127 242 HE3 LYS 48 HE1 LYS 48 3.681 -4.586 -15.417 243 HZ1 LYS 48 HZ1 LYS 48 1.176 -4.652 -17.021 244 HZ2 LYS 48 HZ2 LYS 48 1.981 -5.996 -16.375 245 HZ3 LYS 48 HZ3 LYS 48 2.716 -5.078 -17.591 246 H ILE 49 HN ILE 49 0.333 -0.054 -11.106 247 HA ILE 49 HA ILE 49 -1.657 -1.510 -9.548 248 HB ILE 49 HB ILE 49 -2.213 0.741 -8.390 249 HG12 ILE 49 HG12 ILE 49 0.748 1.154 -8.857 250 HG13 ILE 49 HG11 ILE 49 -0.530 2.066 -9.656 251 HG21 ILE 49 HG21 ILE 49 0.128 -0.938 -7.522 252 HG22 ILE 49 HG22 ILE 49 -1.575 -1.226 -7.167 253 HG23 ILE 49 HG23 ILE 49 -0.758 0.180 -6.485 254 HD11 ILE 49 HD11 ILE 49 0.012 2.011 -6.695 255 HD12 ILE 49 HD12 ILE 49 -1.268 2.923 -7.497 256 HD13 ILE 49 HD13 ILE 49 0.423 3.316 -7.809 257 H ASP 50 HN ASP 50 -3.175 -1.664 -11.093 258 HA ASP 50 HA ASP 50 -3.880 0.769 -12.590 259 HB2 ASP 50 HB2 ASP 50 -3.263 -1.071 -14.053 260 HB3 ASP 50 HB1 ASP 50 -4.415 -2.135 -13.253 261 H SER 51 HN SER 51 -5.779 1.679 -12.306 262 HA SER 51 HA SER 51 -8.081 0.214 -11.356 263 HB2 SER 51 HB2 SER 51 -6.959 2.493 -9.691 264 HB3 SER 51 HB1 SER 51 -8.457 1.619 -9.376 265 HG SER 51 HG SER 51 -6.484 -0.157 -9.602 266 H GLY 52 HN GLY 52 -10.050 1.447 -11.651 267 HA2 GLY 52 HA2 GLY 52 -10.044 3.078 -13.926 268 HA3 GLY 52 HA1 GLY 52 -11.381 2.936 -12.796 269 H LYS 53 HN LYS 53 -10.235 3.995 -10.515 270 HA LYS 53 HA LYS 53 -10.536 6.788 -10.988 271 HB2 LYS 53 HB2 LYS 53 -11.200 5.639 -8.890 272 HB3 LYS 53 HB1 LYS 53 -9.507 5.339 -8.536 273 HG2 LYS 53 HG2 LYS 53 -9.284 7.924 -8.697 274 HG3 LYS 53 HG1 LYS 53 -11.031 7.904 -8.452 275 HD2 LYS 53 HD2 LYS 53 -9.988 8.143 -6.309 276 HD3 LYS 53 HD1 LYS 53 -10.651 6.510 -6.406 277 HE2 LYS 53 HE2 LYS 53 -8.430 5.648 -6.981 278 HE3 LYS 53 HE1 LYS 53 -7.771 7.279 -6.887 279 HZ1 LYS 53 HZ1 LYS 53 -8.537 7.298 -4.517 280 HZ2 LYS 53 HZ2 LYS 53 -7.282 6.207 -4.853 281 HZ3 LYS 53 HZ3 LYS 53 -8.868 5.639 -4.670 282 H LEU 54 HN LEU 54 -7.855 4.737 -11.290 283 HA LEU 54 HA LEU 54 -5.970 6.840 -10.460 284 HB2 LEU 54 HB2 LEU 54 -6.076 4.815 -9.033 285 HB3 LEU 54 HB1 LEU 54 -5.609 3.845 -10.410 286 HG LEU 54 HG LEU 54 -3.801 6.040 -9.455 287 HD11 LEU 54 HD11 LEU 54 -3.986 3.243 -8.330 288 HD12 LEU 54 HD12 LEU 54 -4.340 4.740 -7.466 289 HD13 LEU 54 HD13 LEU 54 -2.694 4.397 -7.998 290 HD21 LEU 54 HD21 LEU 54 -2.089 4.547 -10.362 291 HD22 LEU 54 HD22 LEU 54 -3.307 4.930 -11.579 292 HD23 LEU 54 HD23 LEU 54 -3.331 3.363 -10.771 293 H GLY 55 HN GLY 55 -6.315 4.103 -12.728 294 HA2 GLY 55 HA2 GLY 55 -5.530 4.068 -14.957 295 HA3 GLY 55 HA1 GLY 55 -4.547 5.488 -14.607 296 H TYR 56 HN TYR 56 -2.515 4.791 -15.100 297 HA TYR 56 HA TYR 56 -1.560 2.463 -13.580 298 HB2 TYR 56 HB2 TYR 56 -0.694 3.651 -16.187 299 HB3 TYR 56 HB1 TYR 56 0.473 2.768 -15.210 300 HD1 TYR 56 HD2 TYR 56 0.257 0.379 -14.870 301 HD2 TYR 56 HD1 TYR 56 -2.543 2.501 -17.264 302 HE1 TYR 56 HE2 TYR 56 -0.550 -1.748 -15.793 303 HE2 TYR 56 HE1 TYR 56 -3.361 0.378 -18.196 304 HH TYR 56 HH TYR 56 -2.665 -1.886 -18.504 305 H SER 57 HN SER 57 -0.517 2.954 -11.799 306 HA SER 57 HA SER 57 1.335 5.242 -11.866 307 HB2 SER 57 HB2 SER 57 -0.246 4.130 -9.546 308 HB3 SER 57 HB1 SER 57 1.125 5.217 -9.336 309 HG SER 57 HG SER 57 -0.976 5.929 -11.069 310 H ILE 58 HN ILE 58 3.285 4.973 -10.620 311 HA ILE 58 HA ILE 58 4.249 2.213 -10.668 312 HB ILE 58 HB ILE 58 5.820 4.754 -10.184 313 HG12 ILE 58 HG12 ILE 58 4.731 4.759 -12.405 314 HG13 ILE 58 HG11 ILE 58 6.484 4.659 -12.521 315 HG21 ILE 58 HG21 ILE 58 7.759 3.361 -10.776 316 HG22 ILE 58 HG22 ILE 58 6.695 1.959 -10.896 317 HG23 ILE 58 HG23 ILE 58 6.919 2.766 -9.344 318 HD11 ILE 58 HD11 ILE 58 6.318 2.267 -12.956 319 HD12 ILE 58 HD12 ILE 58 5.381 3.194 -14.128 320 HD13 ILE 58 HD13 ILE 58 4.564 2.357 -12.808 321 H THR 59 HN THR 59 3.600 1.243 -8.775 322 HA THR 59 HA THR 59 3.830 2.803 -6.327 323 HB THR 59 HB THR 59 1.740 1.536 -6.670 324 HG1 THR 59 HG1 THR 59 3.344 0.669 -4.475 325 HG21 THR 59 HG21 THR 59 3.444 -0.927 -6.333 326 HG22 THR 59 HG22 THR 59 2.699 -0.411 -7.845 327 HG23 THR 59 HG23 THR 59 1.689 -0.878 -6.477 328 H VAL 60 HN VAL 60 5.281 2.514 -4.841 329 HA VAL 60 HA VAL 60 7.243 0.347 -5.168 330 HB VAL 60 HB VAL 60 8.862 1.794 -4.024 331 HG11 VAL 60 HG11 VAL 60 7.550 3.154 -6.376 332 HG12 VAL 60 HG12 VAL 60 8.774 1.886 -6.452 333 HG13 VAL 60 HG13 VAL 60 9.182 3.468 -5.788 334 HG21 VAL 60 HG21 VAL 60 6.674 3.869 -4.062 335 HG22 VAL 60 HG22 VAL 60 8.349 4.156 -3.592 336 HG23 VAL 60 HG23 VAL 60 7.336 3.076 -2.633 337 H ALA 61 HN ALA 61 8.335 -0.094 -2.925 338 HA ALA 61 HA ALA 61 6.506 -1.086 -1.108 339 HB1 ALA 61 HB1 ALA 61 9.302 -0.116 -0.525 340 HB2 ALA 61 HB2 ALA 61 8.863 -1.718 -1.117 341 HB3 ALA 61 HB3 ALA 61 8.349 -1.201 0.489 342 H GLU 62 HN GLU 62 5.624 -0.330 0.796 343 HA GLU 62 HA GLU 62 4.591 2.226 0.637 344 HB2 GLU 62 HB2 GLU 62 4.726 0.540 3.132 345 HB3 GLU 62 HB1 GLU 62 3.559 1.807 2.770 346 HG2 GLU 62 HG2 GLU 62 2.808 0.457 0.814 347 HG3 GLU 62 HG1 GLU 62 3.863 -0.838 1.372 348 HA PRO 63 HA PRO 63 7.647 3.736 4.092 349 HB2 PRO 63 HB2 PRO 63 9.993 2.365 4.324 350 HB3 PRO 63 HB1 PRO 63 8.575 2.047 5.331 351 HG2 PRO 63 HG2 PRO 63 9.529 0.597 2.891 352 HG3 PRO 63 HG1 PRO 63 8.908 -0.064 4.415 353 HD2 PRO 63 HD2 PRO 63 7.379 0.107 2.203 354 HD3 PRO 63 HD1 PRO 63 6.707 0.321 3.832 355 H ASP 64 HN ASP 64 8.413 2.524 0.985 356 HA ASP 64 HA ASP 64 10.697 4.324 0.635 357 HB2 ASP 64 HB2 ASP 64 9.595 2.099 -1.085 358 HB3 ASP 64 HB1 ASP 64 10.917 3.149 -1.583 359 H PHE 65 HN PHE 65 7.460 4.539 0.397 360 HA PHE 65 HA PHE 65 6.941 5.534 -2.163 361 HB2 PHE 65 HB2 PHE 65 5.191 4.876 -0.552 362 HB3 PHE 65 HB1 PHE 65 5.579 6.280 0.435 363 HD1 PHE 65 HD2 PHE 65 4.808 5.594 -3.157 364 HD2 PHE 65 HD1 PHE 65 4.109 8.018 0.272 365 HE1 PHE 65 HE2 PHE 65 3.194 6.935 -4.441 366 HE2 PHE 65 HE1 PHE 65 2.492 9.363 -1.005 367 HZ PHE 65 HZ PHE 65 2.035 8.822 -3.363 368 H THR 66 HN THR 66 8.310 7.060 0.652 369 HA THR 66 HA THR 66 8.038 9.753 0.046 370 HB THR 66 HB THR 66 10.460 8.465 1.309 371 HG1 THR 66 HG1 THR 66 9.277 8.179 3.087 372 HG21 THR 66 HG21 THR 66 9.200 11.183 1.705 373 HG22 THR 66 HG22 THR 66 10.695 10.863 0.826 374 HG23 THR 66 HG23 THR 66 10.611 10.564 2.563 375 H ALA 67 HN ALA 67 10.524 7.448 -1.007 376 HA ALA 67 HA ALA 67 12.125 9.365 -2.364 377 HB1 ALA 67 HB1 ALA 67 13.015 7.218 -1.601 378 HB2 ALA 67 HB2 ALA 67 13.266 7.444 -3.332 379 HB3 ALA 67 HB3 ALA 67 11.984 6.378 -2.759 380 H ALA 68 HN ALA 68 9.592 7.135 -3.381 381 HA ALA 68 HA ALA 68 9.768 7.487 -6.139 382 HB1 ALA 68 HB1 ALA 68 8.415 5.738 -5.098 383 HB2 ALA 68 HB2 ALA 68 7.457 6.693 -6.231 384 HB3 ALA 68 HB3 ALA 68 7.295 6.959 -4.495 385 H VAL 69 HN VAL 69 7.828 9.267 -3.751 386 HA VAL 69 HA VAL 69 6.545 11.020 -5.511 387 HB VAL 69 HB VAL 69 7.413 11.574 -2.665 388 HG11 VAL 69 HG11 VAL 69 6.828 13.619 -3.893 389 HG12 VAL 69 HG12 VAL 69 5.653 13.256 -2.628 390 HG13 VAL 69 HG13 VAL 69 5.269 12.911 -4.316 391 HG21 VAL 69 HG21 VAL 69 4.820 10.478 -3.753 392 HG22 VAL 69 HG22 VAL 69 5.137 10.886 -2.066 393 HG23 VAL 69 HG23 VAL 69 6.031 9.577 -2.840 394 H TYR 70 HN TYR 70 9.709 11.218 -3.963 395 HA TYR 70 HA TYR 70 10.252 13.893 -4.731 396 HB2 TYR 70 HB2 TYR 70 11.398 12.640 -2.877 397 HB3 TYR 70 HB1 TYR 70 12.281 11.744 -4.107 398 HD1 TYR 70 HD2 TYR 70 11.701 15.132 -2.732 399 HD2 TYR 70 HD1 TYR 70 14.207 12.668 -5.132 400 HE1 TYR 70 HE2 TYR 70 13.379 16.925 -2.812 401 HE2 TYR 70 HE1 TYR 70 15.893 14.456 -5.216 402 HH TYR 70 HH TYR 70 15.917 16.980 -4.987 403 H TRP 71 HN TRP 71 10.919 10.766 -6.226 404 HA TRP 71 HA TRP 71 12.600 11.782 -8.269 405 HB2 TRP 71 HB2 TRP 71 10.938 9.257 -8.256 406 HB3 TRP 71 HB1 TRP 71 12.209 9.632 -9.413 407 HD1 TRP 71 HD1 TRP 71 12.068 7.147 -7.221 408 HE1 TRP 71 HE1 TRP 71 14.134 6.774 -5.729 409 HE3 TRP 71 HE3 TRP 71 14.238 11.770 -7.657 410 HZ2 TRP 71 HZ2 TRP 71 16.370 8.245 -4.855 411 HZ3 TRP 71 HZ3 TRP 71 16.333 12.197 -6.453 412 HH2 TRP 71 HH2 TRP 71 17.381 10.470 -5.084 413 H ILE 72 HN ILE 72 9.140 11.437 -7.954 414 HA ILE 72 HA ILE 72 8.470 11.754 -10.678 415 HB ILE 72 HB ILE 72 6.840 12.367 -8.208 416 HG12 ILE 72 HG12 ILE 72 7.496 10.045 -8.328 417 HG13 ILE 72 HG11 ILE 72 5.784 10.182 -8.716 418 HG21 ILE 72 HG21 ILE 72 5.906 13.565 -10.099 419 HG22 ILE 72 HG22 ILE 72 4.868 12.207 -9.665 420 HG23 ILE 72 HG23 ILE 72 5.928 12.093 -11.070 421 HD11 ILE 72 HD11 ILE 72 6.301 9.977 -11.087 422 HD12 ILE 72 HD12 ILE 72 6.907 8.596 -10.173 423 HD13 ILE 72 HD13 ILE 72 8.018 9.857 -10.704 424 H LYS 73 HN LYS 73 9.487 14.016 -8.285 425 HA LYS 73 HA LYS 73 8.285 16.355 -9.293 426 HB2 LYS 73 HB2 LYS 73 9.413 16.151 -7.068 427 HB3 LYS 73 HB1 LYS 73 10.960 16.156 -7.904 428 HG2 LYS 73 HG2 LYS 73 10.372 18.382 -8.848 429 HG3 LYS 73 HG1 LYS 73 8.932 18.378 -7.832 430 HD2 LYS 73 HD2 LYS 73 11.786 18.234 -6.869 431 HD3 LYS 73 HD1 LYS 73 10.741 19.653 -6.803 432 HE2 LYS 73 HE2 LYS 73 9.183 18.371 -5.353 433 HE3 LYS 73 HE1 LYS 73 10.340 17.039 -5.352 434 HZ1 LYS 73 HZ1 LYS 73 11.987 18.627 -4.412 435 HZ2 LYS 73 HZ2 LYS 73 10.675 18.309 -3.387 436 HZ3 LYS 73 HZ3 LYS 73 10.740 19.767 -4.247 437 H THR 74 HN THR 74 10.931 14.460 -10.464 438 HA THR 74 HA THR 74 12.108 16.586 -12.011 439 HB THR 74 HB THR 74 13.535 14.864 -13.003 440 HG1 THR 74 HG1 THR 74 12.050 12.989 -11.430 441 HG21 THR 74 HG21 THR 74 14.674 14.123 -10.983 442 HG22 THR 74 HG22 THR 74 13.246 14.498 -10.019 443 HG23 THR 74 HG23 THR 74 14.142 15.795 -10.811 444 H TYR 75 HN TYR 75 9.413 14.585 -12.367 445 HA TYR 75 HA TYR 75 9.441 14.627 -15.269 446 HB2 TYR 75 HB2 TYR 75 8.514 12.655 -14.121 447 HB3 TYR 75 HB1 TYR 75 7.305 13.671 -13.342 448 HD1 TYR 75 HD1 TYR 75 8.539 12.857 -16.777 449 HD2 TYR 75 HD2 TYR 75 5.199 13.744 -14.298 450 HE1 TYR 75 HE1 TYR 75 7.035 12.505 -18.687 451 HE2 TYR 75 HE2 TYR 75 3.685 13.393 -16.204 452 HH TYR 75 HH TYR 75 4.758 12.001 -19.171 453 H GLN 76 HN GLN 76 9.292 16.679 -15.933 454 HA GLN 76 HA GLN 76 6.788 18.075 -15.401 455 HB2 GLN 76 HB2 GLN 76 8.472 18.969 -13.802 456 HB3 GLN 76 HB1 GLN 76 9.502 19.394 -15.160 457 HG2 GLN 76 HG2 GLN 76 8.349 21.345 -14.359 458 HG3 GLN 76 HG1 GLN 76 7.770 20.933 -15.972 459 HE21 GLN 76 HE21 GLN 76 6.820 19.173 -13.110 460 HE22 GLN 76 HE22 GLN 76 5.177 19.706 -13.090 Start of MODEL 14 1 H1 LYS 19 HT1 LYS 19 -0.115 -0.928 0.886 2 H2 LYS 19 HT2 LYS 19 0.245 0.595 1.531 3 H3 LYS 19 HT3 LYS 19 1.181 -0.755 1.968 4 HA LYS 19 HA LYS 19 2.386 0.576 0.421 5 HB2 LYS 19 HB2 LYS 19 2.644 -1.872 0.338 6 HB3 LYS 19 HB1 LYS 19 1.337 -1.972 -0.833 7 HG2 LYS 19 HG2 LYS 19 2.640 -0.802 -2.471 8 HG3 LYS 19 HG1 LYS 19 3.912 -0.484 -1.294 9 HD2 LYS 19 HD2 LYS 19 3.101 -3.299 -1.908 10 HD3 LYS 19 HD1 LYS 19 4.180 -2.435 -3.001 11 HE2 LYS 19 HE2 LYS 19 5.495 -3.728 -1.453 12 HE3 LYS 19 HE1 LYS 19 5.708 -2.017 -1.097 13 HZ1 LYS 19 HZ1 LYS 19 3.794 -3.742 0.374 14 HZ2 LYS 19 HZ2 LYS 19 4.348 -2.197 0.810 15 HZ3 LYS 19 HZ3 LYS 19 5.400 -3.521 0.867 16 H ASP 20 HN ASP 20 -0.718 -0.508 -0.955 17 HA ASP 20 HA ASP 20 -0.434 0.753 -3.438 18 HB2 ASP 20 HB2 ASP 20 -2.855 0.428 -3.680 19 HB3 ASP 20 HB1 ASP 20 -2.073 -1.015 -3.047 20 H LYS 21 HN LYS 21 -0.021 2.833 -3.656 21 HA LYS 21 HA LYS 21 -1.978 4.737 -2.665 22 HB2 LYS 21 HB2 LYS 21 0.952 4.830 -1.999 23 HB3 LYS 21 HB1 LYS 21 -0.002 6.305 -2.083 24 HG2 LYS 21 HG2 LYS 21 -0.561 3.954 -0.286 25 HG3 LYS 21 HG1 LYS 21 0.192 5.476 0.202 26 HD2 LYS 21 HD2 LYS 21 -1.790 6.706 -0.232 27 HD3 LYS 21 HD1 LYS 21 -2.530 5.346 -1.076 28 HE2 LYS 21 HE2 LYS 21 -1.840 5.382 1.859 29 HE3 LYS 21 HE1 LYS 21 -3.441 5.713 1.200 30 HZ1 LYS 21 HZ1 LYS 21 -1.935 3.164 0.974 31 HZ2 LYS 21 HZ2 LYS 21 -3.414 3.473 0.214 32 HZ3 LYS 21 HZ3 LYS 21 -3.325 3.439 1.906 33 H ASP 22 HN ASP 22 -2.059 6.667 -3.838 34 HA ASP 22 HA ASP 22 -1.384 6.306 -6.603 35 HB2 ASP 22 HB2 ASP 22 -2.623 8.403 -6.944 36 HB3 ASP 22 HB1 ASP 22 -3.540 7.275 -5.951 37 H LEU 23 HN LEU 23 0.233 7.161 -7.695 38 HA LEU 23 HA LEU 23 1.862 9.239 -6.408 39 HB2 LEU 23 HB2 LEU 23 2.993 7.073 -6.885 40 HB3 LEU 23 HB1 LEU 23 2.675 7.319 -8.591 41 HG LEU 23 HG LEU 23 4.091 9.328 -8.570 42 HD11 LEU 23 HD11 LEU 23 3.730 9.991 -6.246 43 HD12 LEU 23 HD12 LEU 23 5.450 9.850 -6.611 44 HD13 LEU 23 HD13 LEU 23 4.635 8.578 -5.700 45 HD21 LEU 23 HD21 LEU 23 5.395 6.861 -7.432 46 HD22 LEU 23 HD22 LEU 23 6.240 8.181 -8.238 47 HD23 LEU 23 HD23 LEU 23 5.089 7.193 -9.136 48 H LEU 24 HN LEU 24 -0.013 8.357 -9.173 49 HA LEU 24 HA LEU 24 0.436 11.000 -10.355 50 HB2 LEU 24 HB2 LEU 24 0.381 8.378 -11.864 51 HB3 LEU 24 HB1 LEU 24 0.447 9.969 -12.601 52 HG LEU 24 HG LEU 24 2.590 8.882 -10.772 53 HD11 LEU 24 HD11 LEU 24 3.897 8.468 -12.779 54 HD12 LEU 24 HD12 LEU 24 2.536 8.960 -13.784 55 HD13 LEU 24 HD13 LEU 24 2.417 7.510 -12.788 56 HD21 LEU 24 HD21 LEU 24 2.538 11.243 -12.654 57 HD22 LEU 24 HD22 LEU 24 3.930 10.702 -11.717 58 HD23 LEU 24 HD23 LEU 24 2.497 11.316 -10.892 59 H LYS 25 HN LYS 25 -1.325 11.210 -12.256 60 HA LYS 25 HA LYS 25 -3.868 10.091 -11.322 61 HB2 LYS 25 HB2 LYS 25 -3.270 13.043 -11.612 62 HB3 LYS 25 HB1 LYS 25 -4.890 12.380 -11.448 63 HG2 LYS 25 HG2 LYS 25 -2.728 11.934 -9.414 64 HG3 LYS 25 HG1 LYS 25 -3.854 13.292 -9.351 65 HD2 LYS 25 HD2 LYS 25 -5.633 11.966 -8.811 66 HD3 LYS 25 HD1 LYS 25 -4.989 10.566 -9.671 67 HE2 LYS 25 HE2 LYS 25 -5.034 10.318 -7.192 68 HE3 LYS 25 HE1 LYS 25 -3.444 10.106 -7.917 69 HZ1 LYS 25 HZ1 LYS 25 -3.340 11.438 -5.912 70 HZ2 LYS 25 HZ2 LYS 25 -4.407 12.575 -6.577 71 HZ3 LYS 25 HZ3 LYS 25 -2.872 12.355 -7.260 72 H GLY 26 HN GLY 26 -4.984 9.339 -12.993 73 HA2 GLY 26 HA2 GLY 26 -5.985 9.202 -15.049 74 HA3 GLY 26 HA1 GLY 26 -5.686 10.923 -15.207 75 H LEU 27 HN LEU 27 -3.448 8.177 -15.007 76 HA LEU 27 HA LEU 27 -2.289 9.105 -17.548 77 HB2 LEU 27 HB2 LEU 27 -0.945 9.156 -15.329 78 HB3 LEU 27 HB1 LEU 27 -0.843 7.418 -15.530 79 HG LEU 27 HG LEU 27 0.187 7.837 -17.792 80 HD11 LEU 27 HD11 LEU 27 0.348 10.648 -16.721 81 HD12 LEU 27 HD12 LEU 27 -0.575 10.111 -18.124 82 HD13 LEU 27 HD13 LEU 27 1.187 10.046 -18.150 83 HD21 LEU 27 HD21 LEU 27 1.496 7.214 -15.816 84 HD22 LEU 27 HD22 LEU 27 1.667 8.920 -15.402 85 HD23 LEU 27 HD23 LEU 27 2.388 8.295 -16.885 86 H ASP 28 HN ASP 28 -1.838 7.579 -19.157 87 HA ASP 28 HA ASP 28 -3.192 5.016 -18.814 88 HB2 ASP 28 HB2 ASP 28 -3.677 6.279 -20.866 89 HB3 ASP 28 HB1 ASP 28 -1.970 6.251 -21.298 90 H GLN 29 HN GLN 29 -2.153 3.051 -19.618 91 HA GLN 29 HA GLN 29 0.212 2.444 -18.308 92 HB2 GLN 29 HB2 GLN 29 -1.431 0.782 -19.022 93 HB3 GLN 29 HB1 GLN 29 -1.039 1.097 -20.705 94 HG2 GLN 29 HG2 GLN 29 1.274 0.300 -20.245 95 HG3 GLN 29 HG1 GLN 29 0.736 -0.161 -18.629 96 HE21 GLN 29 HE21 GLN 29 1.751 -1.819 -20.814 97 HE22 GLN 29 HE22 GLN 29 0.506 -2.980 -21.147 98 H GLU 30 HN GLU 30 -0.291 3.576 -21.614 99 HA GLU 30 HA GLU 30 2.333 3.015 -22.539 100 HB2 GLU 30 HB2 GLU 30 0.349 5.068 -23.534 101 HB3 GLU 30 HB1 GLU 30 1.794 4.548 -24.393 102 HG2 GLU 30 HG2 GLU 30 -0.642 2.915 -23.743 103 HG3 GLU 30 HG1 GLU 30 -0.058 3.406 -25.334 104 H GLN 31 HN GLN 31 0.897 5.749 -20.902 105 HA GLN 31 HA GLN 31 3.195 7.449 -21.301 106 HB2 GLN 31 HB2 GLN 31 0.777 7.783 -19.516 107 HB3 GLN 31 HB1 GLN 31 1.977 9.025 -19.851 108 HG2 GLN 31 HG2 GLN 31 1.332 9.146 -22.135 109 HG3 GLN 31 HG1 GLN 31 0.305 7.720 -21.981 110 HE21 GLN 31 HE21 GLN 31 0.644 11.114 -21.264 111 HE22 GLN 31 HE22 GLN 31 -1.017 11.385 -20.851 112 H ALA 32 HN ALA 32 1.997 5.240 -18.912 113 HA ALA 32 HA ALA 32 3.524 6.067 -16.696 114 HB1 ALA 32 HB1 ALA 32 3.066 3.852 -15.776 115 HB2 ALA 32 HB2 ALA 32 2.518 3.302 -17.359 116 HB3 ALA 32 HB3 ALA 32 1.618 4.552 -16.501 117 H ASN 33 HN ASN 33 4.350 4.328 -19.555 118 HA ASN 33 HA ASN 33 6.611 2.906 -18.804 119 HB2 ASN 33 HB2 ASN 33 5.704 2.697 -21.033 120 HB3 ASN 33 HB1 ASN 33 6.017 4.396 -21.368 121 HD21 ASN 33 HD21 ASN 33 8.055 5.049 -21.978 122 HD22 ASN 33 HD22 ASN 33 9.339 3.926 -22.318 123 H GLU 34 HN GLU 34 6.253 6.321 -19.561 124 HA GLU 34 HA GLU 34 8.995 6.977 -19.642 125 HB2 GLU 34 HB2 GLU 34 6.715 8.805 -18.884 126 HB3 GLU 34 HB1 GLU 34 8.266 9.269 -19.567 127 HG2 GLU 34 HG2 GLU 34 6.089 7.716 -20.946 128 HG3 GLU 34 HG1 GLU 34 6.536 9.395 -21.245 129 H VAL 35 HN VAL 35 6.714 6.612 -17.045 130 HA VAL 35 HA VAL 35 8.427 7.988 -15.142 131 HB VAL 35 HB VAL 35 5.809 6.574 -14.632 132 HG11 VAL 35 HG11 VAL 35 7.320 8.616 -13.010 133 HG12 VAL 35 HG12 VAL 35 7.131 6.905 -12.622 134 HG13 VAL 35 HG13 VAL 35 5.726 7.970 -12.621 135 HG21 VAL 35 HG21 VAL 35 5.522 8.351 -16.284 136 HG22 VAL 35 HG22 VAL 35 6.317 9.493 -15.199 137 HG23 VAL 35 HG23 VAL 35 4.769 8.780 -14.749 138 H ILE 36 HN ILE 36 7.185 4.702 -15.730 139 HA ILE 36 HA ILE 36 8.224 3.554 -13.382 140 HB ILE 36 HB ILE 36 6.481 2.469 -14.747 141 HG12 ILE 36 HG12 ILE 36 8.948 0.749 -14.402 142 HG13 ILE 36 HG11 ILE 36 7.822 1.170 -13.118 143 HG21 ILE 36 HG21 ILE 36 7.113 1.187 -16.751 144 HG22 ILE 36 HG22 ILE 36 8.725 1.898 -16.677 145 HG23 ILE 36 HG23 ILE 36 7.321 2.926 -16.967 146 HD11 ILE 36 HD11 ILE 36 7.417 -1.073 -13.945 147 HD12 ILE 36 HD12 ILE 36 7.174 -0.443 -15.575 148 HD13 ILE 36 HD13 ILE 36 6.043 -0.022 -14.288 149 H ALA 37 HN ALA 37 9.676 4.178 -16.499 150 HA ALA 37 HA ALA 37 11.964 2.561 -16.233 151 HB1 ALA 37 HB1 ALA 37 11.657 5.149 -17.750 152 HB2 ALA 37 HB2 ALA 37 11.269 3.541 -18.363 153 HB3 ALA 37 HB3 ALA 37 12.938 3.958 -17.975 154 H VAL 38 HN VAL 38 11.149 5.725 -15.001 155 HA VAL 38 HA VAL 38 13.782 6.509 -14.265 156 HB VAL 38 HB VAL 38 11.120 7.456 -13.179 157 HG11 VAL 38 HG11 VAL 38 12.335 9.443 -12.447 158 HG12 VAL 38 HG12 VAL 38 13.850 8.718 -12.987 159 HG13 VAL 38 HG13 VAL 38 12.946 7.987 -11.661 160 HG21 VAL 38 HG21 VAL 38 11.279 7.822 -15.561 161 HG22 VAL 38 HG22 VAL 38 12.869 8.560 -15.372 162 HG23 VAL 38 HG23 VAL 38 11.442 9.360 -14.712 163 H LEU 39 HN LEU 39 11.079 5.041 -12.508 164 HA LEU 39 HA LEU 39 12.351 4.990 -9.989 165 HB2 LEU 39 HB2 LEU 39 10.035 3.467 -11.144 166 HB3 LEU 39 HB1 LEU 39 10.644 3.102 -9.544 167 HG LEU 39 HG LEU 39 8.759 4.536 -9.296 168 HD11 LEU 39 HD11 LEU 39 10.575 4.969 -7.763 169 HD12 LEU 39 HD12 LEU 39 9.725 6.465 -8.150 170 HD13 LEU 39 HD13 LEU 39 11.286 6.119 -8.896 171 HD21 LEU 39 HD21 LEU 39 10.119 6.436 -11.198 172 HD22 LEU 39 HD22 LEU 39 8.639 6.769 -10.299 173 HD23 LEU 39 HD23 LEU 39 8.661 5.495 -11.518 174 H GLN 40 HN GLN 40 11.910 2.419 -12.419 175 HA GLN 40 HA GLN 40 13.331 0.453 -10.994 176 HB2 GLN 40 HB2 GLN 40 12.784 0.718 -13.950 177 HB3 GLN 40 HB1 GLN 40 13.503 -0.707 -13.210 178 HG2 GLN 40 HG2 GLN 40 11.500 -0.981 -11.823 179 HG3 GLN 40 HG1 GLN 40 10.777 0.417 -12.615 180 HE21 GLN 40 HE21 GLN 40 9.886 -2.355 -12.493 181 HE22 GLN 40 HE22 GLN 40 9.736 -2.885 -14.139 182 H MET 41 HN MET 41 14.403 3.020 -13.089 183 HA MET 41 HA MET 41 17.048 2.062 -13.499 184 HB2 MET 41 HB2 MET 41 16.034 3.782 -14.916 185 HB3 MET 41 HB1 MET 41 15.964 4.882 -13.549 186 HG2 MET 41 HG2 MET 41 18.421 4.853 -13.434 187 HG3 MET 41 HG1 MET 41 18.453 3.813 -14.857 188 HE1 MET 41 HE1 MET 41 16.055 4.975 -16.543 189 HE2 MET 41 HE2 MET 41 17.609 4.614 -17.295 190 HE3 MET 41 HE3 MET 41 16.842 6.179 -17.564 191 H HIS 42 HN HIS 42 15.493 3.962 -10.995 192 HA HIS 42 HA HIS 42 18.032 4.670 -9.771 193 HB2 HIS 42 HB2 HIS 42 15.825 6.104 -9.942 194 HB3 HIS 42 HB1 HIS 42 15.387 5.225 -8.481 195 HD1 HIS 42 HD1 HIS 42 17.418 5.364 -6.561 196 HD2 HIS 42 HD2 HIS 42 17.202 8.376 -9.417 197 HE1 HIS 42 HE1 HIS 42 18.705 7.299 -5.598 198 HE2 HIS 42 HE2 HIS 42 18.540 9.127 -7.328 199 H ASN 43 HN ASN 43 16.669 1.867 -9.877 200 HA ASN 43 HA ASN 43 16.896 -0.026 -8.652 201 HB2 ASN 43 HB2 ASN 43 18.628 1.826 -7.046 202 HB3 ASN 43 HB1 ASN 43 18.310 0.188 -6.484 203 HD21 ASN 43 HD21 ASN 43 19.112 -1.552 -7.640 204 HD22 ASN 43 HD22 ASN 43 20.366 -1.374 -8.825 205 H ILE 44 HN ILE 44 14.660 1.897 -8.123 206 HA ILE 44 HA ILE 44 13.964 0.834 -5.469 207 HB ILE 44 HB ILE 44 13.927 3.212 -5.321 208 HG12 ILE 44 HG12 ILE 44 11.089 2.236 -5.696 209 HG13 ILE 44 HG11 ILE 44 12.051 2.048 -4.235 210 HG21 ILE 44 HG21 ILE 44 12.185 3.236 -7.775 211 HG22 ILE 44 HG22 ILE 44 13.868 3.752 -7.684 212 HG23 ILE 44 HG23 ILE 44 12.623 4.646 -6.809 213 HD11 ILE 44 HD11 ILE 44 12.116 4.471 -3.964 214 HD12 ILE 44 HD12 ILE 44 10.458 3.869 -4.023 215 HD13 ILE 44 HD13 ILE 44 11.160 4.660 -5.434 216 H GLU 45 HN GLU 45 12.358 -0.576 -5.338 217 HA GLU 45 HA GLU 45 11.298 -1.827 -7.582 218 HB2 GLU 45 HB2 GLU 45 11.458 -2.883 -5.360 219 HB3 GLU 45 HB1 GLU 45 10.194 -1.816 -4.766 220 HG2 GLU 45 HG2 GLU 45 9.305 -4.015 -5.254 221 HG3 GLU 45 HG1 GLU 45 8.612 -2.811 -6.338 222 H ALA 46 HN ALA 46 9.762 -1.285 -8.935 223 HA ALA 46 HA ALA 46 7.812 0.768 -8.121 224 HB1 ALA 46 HB1 ALA 46 8.964 0.279 -10.869 225 HB2 ALA 46 HB2 ALA 46 9.402 1.598 -9.785 226 HB3 ALA 46 HB3 ALA 46 7.772 1.508 -10.449 227 H ASN 47 HN ASN 47 5.877 -0.109 -7.848 228 HA ASN 47 HA ASN 47 5.100 -2.366 -9.567 229 HB2 ASN 47 HB2 ASN 47 3.927 -1.436 -6.930 230 HB3 ASN 47 HB1 ASN 47 3.360 -2.816 -7.864 231 HD21 ASN 47 HD21 ASN 47 6.123 -3.567 -8.608 232 HD22 ASN 47 HD22 ASN 47 6.794 -4.299 -7.197 233 H LYS 48 HN LYS 48 2.918 -2.360 -10.428 234 HA LYS 48 HA LYS 48 2.036 0.385 -10.997 235 HB2 LYS 48 HB2 LYS 48 1.647 -2.178 -12.554 236 HB3 LYS 48 HB1 LYS 48 0.858 -0.660 -12.961 237 HG2 LYS 48 HG2 LYS 48 3.105 0.375 -13.212 238 HG3 LYS 48 HG1 LYS 48 3.815 -1.219 -12.963 239 HD2 LYS 48 HD2 LYS 48 1.725 -0.920 -15.058 240 HD3 LYS 48 HD1 LYS 48 3.328 -0.270 -15.385 241 HE2 LYS 48 HE2 LYS 48 3.121 -2.531 -16.245 242 HE3 LYS 48 HE1 LYS 48 4.312 -2.462 -14.952 243 HZ1 LYS 48 HZ1 LYS 48 2.708 -4.391 -14.937 244 HZ2 LYS 48 HZ2 LYS 48 1.512 -3.287 -14.456 245 HZ3 LYS 48 HZ3 LYS 48 2.877 -3.540 -13.483 246 H ILE 49 HN ILE 49 0.072 1.058 -10.362 247 HA ILE 49 HA ILE 49 -1.685 -0.888 -9.087 248 HB ILE 49 HB ILE 49 -3.071 1.380 -8.758 249 HG12 ILE 49 HG12 ILE 49 -0.185 2.302 -8.792 250 HG13 ILE 49 HG11 ILE 49 -1.391 2.749 -9.995 251 HG21 ILE 49 HG21 ILE 49 -1.999 1.556 -6.547 252 HG22 ILE 49 HG22 ILE 49 -0.727 0.466 -7.102 253 HG23 ILE 49 HG23 ILE 49 -2.392 -0.106 -6.991 254 HD11 ILE 49 HD11 ILE 49 -1.032 4.498 -8.312 255 HD12 ILE 49 HD12 ILE 49 -1.554 3.380 -7.054 256 HD13 ILE 49 HD13 ILE 49 -2.689 3.896 -8.302 257 H ASP 50 HN ASP 50 -2.809 -1.992 -10.547 258 HA ASP 50 HA ASP 50 -3.909 -0.815 -12.912 259 HB2 ASP 50 HB2 ASP 50 -4.420 -3.472 -11.554 260 HB3 ASP 50 HB1 ASP 50 -5.191 -2.993 -13.059 261 H SER 51 HN SER 51 -5.303 0.783 -12.571 262 HA SER 51 HA SER 51 -7.877 0.129 -11.420 263 HB2 SER 51 HB2 SER 51 -6.264 2.484 -10.386 264 HB3 SER 51 HB1 SER 51 -7.922 2.090 -9.935 265 HG SER 51 HG SER 51 -6.425 -0.073 -9.545 266 H GLY 52 HN GLY 52 -9.298 0.785 -12.899 267 HA2 GLY 52 HA2 GLY 52 -8.526 2.359 -15.128 268 HA3 GLY 52 HA1 GLY 52 -10.155 1.817 -14.761 269 H LYS 53 HN LYS 53 -10.152 3.153 -12.129 270 HA LYS 53 HA LYS 53 -11.101 5.703 -13.054 271 HB2 LYS 53 HB2 LYS 53 -12.230 4.424 -11.268 272 HB3 LYS 53 HB1 LYS 53 -10.824 4.629 -10.239 273 HG2 LYS 53 HG2 LYS 53 -12.500 6.182 -9.552 274 HG3 LYS 53 HG1 LYS 53 -11.196 7.089 -10.317 275 HD2 LYS 53 HD2 LYS 53 -13.516 6.214 -11.974 276 HD3 LYS 53 HD1 LYS 53 -13.712 7.588 -10.887 277 HE2 LYS 53 HE2 LYS 53 -11.462 7.389 -12.874 278 HE3 LYS 53 HE1 LYS 53 -13.022 8.108 -13.275 279 HZ1 LYS 53 HZ1 LYS 53 -12.689 9.734 -11.521 280 HZ2 LYS 53 HZ2 LYS 53 -11.391 9.772 -12.609 281 HZ3 LYS 53 HZ3 LYS 53 -11.206 9.025 -11.101 282 H LEU 54 HN LEU 54 -8.293 4.525 -11.329 283 HA LEU 54 HA LEU 54 -7.410 7.204 -10.658 284 HB2 LEU 54 HB2 LEU 54 -7.167 5.056 -9.234 285 HB3 LEU 54 HB1 LEU 54 -5.826 4.674 -10.293 286 HG LEU 54 HG LEU 54 -5.935 7.263 -8.773 287 HD11 LEU 54 HD11 LEU 54 -4.776 4.639 -7.847 288 HD12 LEU 54 HD12 LEU 54 -6.162 5.473 -7.143 289 HD13 LEU 54 HD13 LEU 54 -4.556 6.196 -7.049 290 HD21 LEU 54 HD21 LEU 54 -4.315 7.101 -10.604 291 HD22 LEU 54 HD22 LEU 54 -3.643 5.642 -9.879 292 HD23 LEU 54 HD23 LEU 54 -3.511 7.186 -9.037 293 H GLY 55 HN GLY 55 -6.560 4.584 -12.845 294 HA2 GLY 55 HA2 GLY 55 -5.480 4.922 -14.939 295 HA3 GLY 55 HA1 GLY 55 -4.777 6.406 -14.302 296 H TYR 56 HN TYR 56 -3.095 4.672 -15.536 297 HA TYR 56 HA TYR 56 -1.961 2.842 -13.638 298 HB2 TYR 56 HB2 TYR 56 -1.300 3.686 -16.421 299 HB3 TYR 56 HB1 TYR 56 -0.038 2.923 -15.456 300 HD1 TYR 56 HD1 TYR 56 -3.365 2.432 -16.977 301 HD2 TYR 56 HD2 TYR 56 -0.121 0.602 -14.921 302 HE1 TYR 56 HE1 TYR 56 -4.303 0.215 -17.478 303 HE2 TYR 56 HE2 TYR 56 -1.048 -1.618 -15.420 304 HH TYR 56 HH TYR 56 -3.216 -2.626 -15.941 305 H SER 57 HN SER 57 -0.769 3.390 -12.031 306 HA SER 57 HA SER 57 1.069 5.654 -12.277 307 HB2 SER 57 HB2 SER 57 -0.801 5.078 -9.974 308 HB3 SER 57 HB1 SER 57 0.525 6.238 -9.895 309 HG SER 57 HG SER 57 -1.486 6.355 -11.884 310 H ILE 58 HN ILE 58 2.641 5.611 -10.369 311 HA ILE 58 HA ILE 58 3.641 2.869 -10.203 312 HB ILE 58 HB ILE 58 5.106 5.457 -9.681 313 HG12 ILE 58 HG12 ILE 58 4.331 5.234 -12.024 314 HG13 ILE 58 HG11 ILE 58 6.086 5.169 -11.896 315 HG21 ILE 58 HG21 ILE 58 6.108 2.636 -10.030 316 HG22 ILE 58 HG22 ILE 58 6.075 3.550 -8.522 317 HG23 ILE 58 HG23 ILE 58 7.120 4.068 -9.845 318 HD11 ILE 58 HD11 ILE 58 4.228 2.826 -12.255 319 HD12 ILE 58 HD12 ILE 58 5.981 2.722 -12.088 320 HD13 ILE 58 HD13 ILE 58 5.275 3.536 -13.486 321 H THR 59 HN THR 59 3.404 1.824 -8.384 322 HA THR 59 HA THR 59 3.195 3.345 -5.874 323 HB THR 59 HB THR 59 1.981 0.709 -6.683 324 HG1 THR 59 HG1 THR 59 0.987 3.284 -6.056 325 HG21 THR 59 HG21 THR 59 1.929 1.997 -3.954 326 HG22 THR 59 HG22 THR 59 2.822 0.535 -4.377 327 HG23 THR 59 HG23 THR 59 1.060 0.541 -4.434 328 H VAL 60 HN VAL 60 4.584 2.871 -4.261 329 HA VAL 60 HA VAL 60 6.590 0.786 -4.804 330 HB VAL 60 HB VAL 60 8.271 2.284 -3.768 331 HG11 VAL 60 HG11 VAL 60 6.862 3.405 -6.188 332 HG12 VAL 60 HG12 VAL 60 8.107 2.157 -6.187 333 HG13 VAL 60 HG13 VAL 60 8.506 3.800 -5.690 334 HG21 VAL 60 HG21 VAL 60 6.751 3.666 -2.453 335 HG22 VAL 60 HG22 VAL 60 6.068 4.341 -3.932 336 HG23 VAL 60 HG23 VAL 60 7.751 4.664 -3.509 337 H ALA 61 HN ALA 61 7.947 0.382 -2.766 338 HA ALA 61 HA ALA 61 6.359 -0.628 -0.706 339 HB1 ALA 61 HB1 ALA 61 9.288 0.087 -0.626 340 HB2 ALA 61 HB2 ALA 61 8.610 -1.443 -1.185 341 HB3 ALA 61 HB3 ALA 61 8.450 -0.973 0.507 342 H GLU 62 HN GLU 62 6.087 0.025 1.463 343 HA GLU 62 HA GLU 62 5.159 2.578 1.804 344 HB2 GLU 62 HB2 GLU 62 6.055 0.561 3.854 345 HB3 GLU 62 HB1 GLU 62 5.327 2.093 4.301 346 HG2 GLU 62 HG2 GLU 62 3.581 0.564 4.362 347 HG3 GLU 62 HG1 GLU 62 3.363 1.412 2.837 348 HA PRO 63 HA PRO 63 9.099 3.955 4.215 349 HB2 PRO 63 HB2 PRO 63 11.237 2.153 3.304 350 HB3 PRO 63 HB1 PRO 63 10.819 2.663 4.942 351 HG2 PRO 63 HG2 PRO 63 10.354 0.165 4.093 352 HG3 PRO 63 HG1 PRO 63 9.243 0.993 5.202 353 HD2 PRO 63 HD2 PRO 63 9.008 0.588 2.238 354 HD3 PRO 63 HD1 PRO 63 7.769 0.414 3.498 355 H ASP 64 HN ASP 64 9.031 2.934 0.940 356 HA ASP 64 HA ASP 64 11.089 4.906 0.201 357 HB2 ASP 64 HB2 ASP 64 10.046 2.466 -1.226 358 HB3 ASP 64 HB1 ASP 64 10.976 3.706 -2.061 359 H PHE 65 HN PHE 65 7.889 4.856 0.590 360 HA PHE 65 HA PHE 65 6.802 5.610 -1.872 361 HB2 PHE 65 HB2 PHE 65 5.426 4.953 0.061 362 HB3 PHE 65 HB1 PHE 65 5.871 6.447 0.880 363 HD1 PHE 65 HD2 PHE 65 4.445 5.341 -2.384 364 HD2 PHE 65 HD1 PHE 65 4.380 8.193 0.772 365 HE1 PHE 65 HE2 PHE 65 2.568 6.497 -3.474 366 HE2 PHE 65 HE1 PHE 65 2.504 9.356 -0.313 367 HZ PHE 65 HZ PHE 65 1.597 8.509 -2.440 368 H THR 66 HN THR 66 7.997 7.669 0.776 369 HA THR 66 HA THR 66 7.438 10.115 -0.482 370 HB THR 66 HB THR 66 7.923 9.909 1.931 371 HG1 THR 66 HG1 THR 66 9.614 11.743 1.850 372 HG21 THR 66 HG21 THR 66 10.786 9.526 1.045 373 HG22 THR 66 HG22 THR 66 9.771 8.317 1.830 374 HG23 THR 66 HG23 THR 66 10.249 9.770 2.708 375 H ALA 67 HN ALA 67 10.107 7.894 -0.843 376 HA ALA 67 HA ALA 67 11.903 9.692 -2.108 377 HB1 ALA 67 HB1 ALA 67 12.658 7.597 -1.099 378 HB2 ALA 67 HB2 ALA 67 13.123 7.695 -2.798 379 HB3 ALA 67 HB3 ALA 67 11.759 6.686 -2.312 380 H ALA 68 HN ALA 68 9.556 7.327 -3.323 381 HA ALA 68 HA ALA 68 10.027 7.672 -6.057 382 HB1 ALA 68 HB1 ALA 68 8.690 5.843 -5.122 383 HB2 ALA 68 HB2 ALA 68 7.827 6.702 -6.399 384 HB3 ALA 68 HB3 ALA 68 7.418 6.994 -4.707 385 H VAL 69 HN VAL 69 7.926 9.429 -3.834 386 HA VAL 69 HA VAL 69 6.621 11.065 -5.703 387 HB VAL 69 HB VAL 69 7.363 11.755 -2.850 388 HG11 VAL 69 HG11 VAL 69 5.188 12.869 -4.616 389 HG12 VAL 69 HG12 VAL 69 6.682 13.700 -4.177 390 HG13 VAL 69 HG13 VAL 69 5.492 13.307 -2.934 391 HG21 VAL 69 HG21 VAL 69 5.078 10.974 -2.306 392 HG22 VAL 69 HG22 VAL 69 6.125 9.684 -2.900 393 HG23 VAL 69 HG23 VAL 69 4.912 10.395 -3.965 394 H TYR 70 HN TYR 70 9.769 11.312 -4.176 395 HA TYR 70 HA TYR 70 10.242 14.016 -4.961 396 HB2 TYR 70 HB2 TYR 70 11.351 12.840 -3.018 397 HB3 TYR 70 HB1 TYR 70 12.319 11.961 -4.197 398 HD1 TYR 70 HD2 TYR 70 11.640 15.272 -2.737 399 HD2 TYR 70 HD1 TYR 70 14.147 13.025 -5.339 400 HE1 TYR 70 HE2 TYR 70 13.244 17.133 -2.788 401 HE2 TYR 70 HE1 TYR 70 15.756 14.881 -5.396 402 HH TYR 70 HH TYR 70 15.658 17.481 -3.233 403 H TRP 71 HN TRP 71 10.886 10.865 -6.367 404 HA TRP 71 HA TRP 71 12.744 11.763 -8.322 405 HB2 TRP 71 HB2 TRP 71 10.959 9.322 -8.452 406 HB3 TRP 71 HB1 TRP 71 12.412 9.604 -9.401 407 HD1 TRP 71 HD1 TRP 71 11.724 7.220 -7.152 408 HE1 TRP 71 HE1 TRP 71 13.525 6.762 -5.375 409 HE3 TRP 71 HE3 TRP 71 14.354 11.593 -7.510 410 HZ2 TRP 71 HZ2 TRP 71 15.765 8.073 -4.276 411 HZ3 TRP 71 HZ3 TRP 71 16.312 11.910 -6.059 412 HH2 TRP 71 HH2 TRP 71 17.003 10.185 -4.476 413 H ILE 72 HN ILE 72 9.296 11.776 -8.120 414 HA ILE 72 HA ILE 72 8.720 11.991 -10.886 415 HB ILE 72 HB ILE 72 7.070 12.992 -8.557 416 HG12 ILE 72 HG12 ILE 72 7.561 10.630 -8.293 417 HG13 ILE 72 HG11 ILE 72 5.879 10.830 -8.769 418 HG21 ILE 72 HG21 ILE 72 6.321 13.933 -10.668 419 HG22 ILE 72 HG22 ILE 72 5.162 12.731 -10.096 420 HG23 ILE 72 HG23 ILE 72 6.284 12.326 -11.395 421 HD11 ILE 72 HD11 ILE 72 8.141 10.045 -10.589 422 HD12 ILE 72 HD12 ILE 72 6.454 10.238 -11.060 423 HD13 ILE 72 HD13 ILE 72 6.913 8.964 -9.928 424 H LYS 73 HN LYS 73 9.875 14.233 -8.533 425 HA LYS 73 HA LYS 73 9.004 16.653 -9.672 426 HB2 LYS 73 HB2 LYS 73 11.321 15.931 -7.904 427 HB3 LYS 73 HB1 LYS 73 11.120 17.572 -8.507 428 HG2 LYS 73 HG2 LYS 73 9.145 16.037 -6.829 429 HG3 LYS 73 HG1 LYS 73 10.185 17.361 -6.291 430 HD2 LYS 73 HD2 LYS 73 9.085 18.818 -7.980 431 HD3 LYS 73 HD1 LYS 73 7.965 17.499 -8.324 432 HE2 LYS 73 HE2 LYS 73 7.290 17.523 -5.934 433 HE3 LYS 73 HE1 LYS 73 8.322 18.931 -5.691 434 HZ1 LYS 73 HZ1 LYS 73 6.975 20.058 -7.443 435 HZ2 LYS 73 HZ2 LYS 73 6.119 19.697 -6.025 436 HZ3 LYS 73 HZ3 LYS 73 5.909 18.737 -7.406 437 H THR 74 HN THR 74 11.673 14.546 -10.440 438 HA THR 74 HA THR 74 13.084 16.487 -11.998 439 HB THR 74 HB THR 74 13.431 13.485 -12.014 440 HG1 THR 74 HG1 THR 74 14.888 15.342 -10.431 441 HG21 THR 74 HG21 THR 74 15.319 15.751 -12.653 442 HG22 THR 74 HG22 THR 74 14.581 14.658 -13.825 443 HG23 THR 74 HG23 THR 74 15.739 14.038 -12.646 444 H TYR 75 HN TYR 75 10.568 14.169 -12.618 445 HA TYR 75 HA TYR 75 11.016 13.990 -15.434 446 HB2 TYR 75 HB2 TYR 75 9.845 12.189 -14.269 447 HB3 TYR 75 HB1 TYR 75 8.561 13.303 -13.802 448 HD1 TYR 75 HD1 TYR 75 10.296 12.103 -16.884 449 HD2 TYR 75 HD2 TYR 75 6.645 13.335 -15.087 450 HE1 TYR 75 HE1 TYR 75 9.114 11.626 -18.983 451 HE2 TYR 75 HE2 TYR 75 5.448 12.858 -17.182 452 HH TYR 75 HH TYR 75 6.984 11.234 -19.852 453 H GLN 76 HN GLN 76 10.461 15.372 -16.955 454 HA GLN 76 HA GLN 76 8.603 17.547 -16.266 455 HB2 GLN 76 HB2 GLN 76 10.839 17.516 -18.303 456 HB3 GLN 76 HB1 GLN 76 9.755 18.868 -18.005 457 HG2 GLN 76 HG2 GLN 76 11.699 17.693 -16.032 458 HG3 GLN 76 HG1 GLN 76 11.912 19.194 -16.930 459 HE21 GLN 76 HE21 GLN 76 9.095 19.943 -16.652 460 HE22 GLN 76 HE22 GLN 76 8.901 20.458 -15.014 Start of MODEL 15 1 H1 LYS 19 HT1 LYS 19 1.777 0.773 0.430 2 H2 LYS 19 HT2 LYS 19 2.660 0.958 -1.007 3 H3 LYS 19 HT3 LYS 19 2.857 -0.433 -0.069 4 HA LYS 19 HA LYS 19 1.489 -0.746 -2.096 5 HB2 LYS 19 HB2 LYS 19 -0.106 -2.174 -1.033 6 HB3 LYS 19 HB1 LYS 19 1.347 -2.208 -0.043 7 HG2 LYS 19 HG2 LYS 19 0.373 -0.879 1.629 8 HG3 LYS 19 HG1 LYS 19 -0.951 -0.380 0.574 9 HD2 LYS 19 HD2 LYS 19 -1.616 -2.835 0.514 10 HD3 LYS 19 HD1 LYS 19 -0.494 -3.061 1.858 11 HE2 LYS 19 HE2 LYS 19 -2.747 -1.062 1.870 12 HE3 LYS 19 HE1 LYS 19 -2.892 -2.698 2.508 13 HZ1 LYS 19 HZ1 LYS 19 -0.787 -0.856 3.467 14 HZ2 LYS 19 HZ2 LYS 19 -1.414 -2.243 4.220 15 HZ3 LYS 19 HZ3 LYS 19 -2.352 -0.833 4.121 16 H ASP 20 HN ASP 20 -0.528 -0.429 -3.103 17 HA ASP 20 HA ASP 20 -2.150 0.952 -3.951 18 HB2 ASP 20 HB2 ASP 20 -2.954 0.387 -1.124 19 HB3 ASP 20 HB1 ASP 20 -3.982 1.370 -2.160 20 H LYS 21 HN LYS 21 -0.458 2.727 -4.090 21 HA LYS 21 HA LYS 21 -1.536 5.053 -2.650 22 HB2 LYS 21 HB2 LYS 21 1.330 4.494 -3.433 23 HB3 LYS 21 HB1 LYS 21 0.758 6.076 -2.917 24 HG2 LYS 21 HG2 LYS 21 0.599 3.563 -1.263 25 HG3 LYS 21 HG1 LYS 21 1.847 4.804 -1.113 26 HD2 LYS 21 HD2 LYS 21 0.205 6.449 -0.479 27 HD3 LYS 21 HD1 LYS 21 -1.110 5.313 -0.781 28 HE2 LYS 21 HE2 LYS 21 1.051 4.856 1.262 29 HE3 LYS 21 HE1 LYS 21 -0.486 5.636 1.632 30 HZ1 LYS 21 HZ1 LYS 21 -0.212 2.901 0.503 31 HZ2 LYS 21 HZ2 LYS 21 -1.650 3.648 1.011 32 HZ3 LYS 21 HZ3 LYS 21 -0.456 3.246 2.139 33 H ASP 22 HN ASP 22 -2.358 6.579 -3.894 34 HA ASP 22 HA ASP 22 -2.536 6.191 -6.713 35 HB2 ASP 22 HB2 ASP 22 -3.316 8.607 -5.054 36 HB3 ASP 22 HB1 ASP 22 -3.810 8.300 -6.713 37 H LEU 23 HN LEU 23 -0.762 6.495 -7.922 38 HA LEU 23 HA LEU 23 1.048 8.695 -7.258 39 HB2 LEU 23 HB2 LEU 23 1.896 6.343 -7.719 40 HB3 LEU 23 HB1 LEU 23 1.412 6.587 -9.387 41 HG LEU 23 HG LEU 23 2.934 8.627 -9.402 42 HD11 LEU 23 HD11 LEU 23 3.934 7.326 -6.874 43 HD12 LEU 23 HD12 LEU 23 3.189 8.915 -7.013 44 HD13 LEU 23 HD13 LEU 23 4.757 8.610 -7.756 45 HD21 LEU 23 HD21 LEU 23 3.523 6.569 -10.538 46 HD22 LEU 23 HD22 LEU 23 4.144 5.892 -9.033 47 HD23 LEU 23 HD23 LEU 23 4.948 7.275 -9.773 48 H LEU 24 HN LEU 24 -0.409 7.306 -10.195 49 HA LEU 24 HA LEU 24 -0.410 10.011 -11.368 50 HB2 LEU 24 HB2 LEU 24 -0.220 7.340 -12.779 51 HB3 LEU 24 HB1 LEU 24 -0.220 8.911 -13.557 52 HG LEU 24 HG LEU 24 1.922 7.948 -11.658 53 HD11 LEU 24 HD11 LEU 24 1.908 6.588 -13.656 54 HD12 LEU 24 HD12 LEU 24 3.293 7.681 -13.678 55 HD13 LEU 24 HD13 LEU 24 1.877 8.031 -14.669 56 HD21 LEU 24 HD21 LEU 24 1.770 10.365 -11.721 57 HD22 LEU 24 HD22 LEU 24 1.775 10.349 -13.484 58 HD23 LEU 24 HD23 LEU 24 3.212 9.837 -12.593 59 H LYS 25 HN LYS 25 -2.326 10.743 -12.230 60 HA LYS 25 HA LYS 25 -4.607 8.913 -11.913 61 HB2 LYS 25 HB2 LYS 25 -4.517 11.921 -11.613 62 HB3 LYS 25 HB1 LYS 25 -5.999 10.981 -11.628 63 HG2 LYS 25 HG2 LYS 25 -5.583 11.350 -9.373 64 HG3 LYS 25 HG1 LYS 25 -5.004 9.707 -9.648 65 HD2 LYS 25 HD2 LYS 25 -2.713 10.528 -9.800 66 HD3 LYS 25 HD1 LYS 25 -3.282 12.184 -9.575 67 HE2 LYS 25 HE2 LYS 25 -4.199 11.513 -7.371 68 HE3 LYS 25 HE1 LYS 25 -3.479 9.920 -7.594 69 HZ1 LYS 25 HZ1 LYS 25 -2.090 11.374 -6.236 70 HZ2 LYS 25 HZ2 LYS 25 -1.983 12.487 -7.510 71 HZ3 LYS 25 HZ3 LYS 25 -1.298 10.946 -7.672 72 H GLY 26 HN GLY 26 -5.355 8.215 -13.780 73 HA2 GLY 26 HA2 GLY 26 -6.525 8.493 -15.787 74 HA3 GLY 26 HA1 GLY 26 -5.991 10.162 -15.849 75 H LEU 27 HN LEU 27 -3.163 9.031 -15.327 76 HA LEU 27 HA LEU 27 -2.375 9.073 -18.048 77 HB2 LEU 27 HB2 LEU 27 -0.899 8.464 -15.501 78 HB3 LEU 27 HB1 LEU 27 -0.123 8.308 -17.063 79 HG LEU 27 HG LEU 27 -0.762 10.761 -17.445 80 HD11 LEU 27 HD11 LEU 27 -1.149 10.618 -14.460 81 HD12 LEU 27 HD12 LEU 27 -2.389 10.986 -15.660 82 HD13 LEU 27 HD13 LEU 27 -1.045 12.100 -15.413 83 HD21 LEU 27 HD21 LEU 27 1.220 10.043 -15.290 84 HD22 LEU 27 HD22 LEU 27 1.198 11.547 -16.209 85 HD23 LEU 27 HD23 LEU 27 1.517 10.019 -17.027 86 H ASP 28 HN ASP 28 -1.818 7.493 -19.430 87 HA ASP 28 HA ASP 28 -2.660 4.793 -18.781 88 HB2 ASP 28 HB2 ASP 28 -3.198 5.878 -20.978 89 HB3 ASP 28 HB1 ASP 28 -1.479 5.855 -21.361 90 H GLN 29 HN GLN 29 -1.153 2.947 -19.501 91 HA GLN 29 HA GLN 29 1.285 3.264 -18.066 92 HB2 GLN 29 HB2 GLN 29 1.765 0.914 -18.840 93 HB3 GLN 29 HB1 GLN 29 0.317 1.135 -17.874 94 HG2 GLN 29 HG2 GLN 29 -1.034 1.087 -19.921 95 HG3 GLN 29 HG1 GLN 29 0.435 0.811 -20.861 96 HE21 GLN 29 HE21 GLN 29 -0.438 -1.176 -21.591 97 HE22 GLN 29 HE22 GLN 29 -0.453 -2.576 -20.570 98 H GLU 30 HN GLU 30 0.405 3.678 -21.368 99 HA GLU 30 HA GLU 30 2.913 3.517 -22.600 100 HB2 GLU 30 HB2 GLU 30 0.696 5.527 -23.060 101 HB3 GLU 30 HB1 GLU 30 2.077 5.309 -24.124 102 HG2 GLU 30 HG2 GLU 30 -0.030 3.250 -23.515 103 HG3 GLU 30 HG1 GLU 30 0.102 4.203 -24.991 104 H GLN 31 HN GLN 31 1.450 6.060 -20.662 105 HA GLN 31 HA GLN 31 3.752 7.799 -20.855 106 HB2 GLN 31 HB2 GLN 31 1.315 7.987 -19.069 107 HB3 GLN 31 HB1 GLN 31 2.482 9.268 -19.372 108 HG2 GLN 31 HG2 GLN 31 1.782 9.494 -21.621 109 HG3 GLN 31 HG1 GLN 31 0.824 8.017 -21.541 110 HE21 GLN 31 HE21 GLN 31 0.995 11.382 -20.667 111 HE22 GLN 31 HE22 GLN 31 -0.675 11.547 -20.227 112 H ALA 32 HN ALA 32 2.290 5.591 -18.544 113 HA ALA 32 HA ALA 32 3.944 6.169 -16.339 114 HB1 ALA 32 HB1 ALA 32 3.137 4.144 -15.369 115 HB2 ALA 32 HB2 ALA 32 2.668 3.514 -16.946 116 HB3 ALA 32 HB3 ALA 32 1.809 4.890 -16.257 117 H ASN 33 HN ASN 33 4.538 4.399 -19.242 118 HA ASN 33 HA ASN 33 6.647 2.743 -18.495 119 HB2 ASN 33 HB2 ASN 33 5.757 2.610 -20.734 120 HB3 ASN 33 HB1 ASN 33 6.194 4.283 -21.063 121 HD21 ASN 33 HD21 ASN 33 7.385 1.028 -20.685 122 HD22 ASN 33 HD22 ASN 33 8.937 1.304 -21.399 123 H GLU 34 HN GLU 34 6.653 6.168 -19.353 124 HA GLU 34 HA GLU 34 9.460 6.542 -19.069 125 HB2 GLU 34 HB2 GLU 34 7.200 8.546 -18.899 126 HB3 GLU 34 HB1 GLU 34 8.904 8.944 -19.087 127 HG2 GLU 34 HG2 GLU 34 8.978 7.983 -21.252 128 HG3 GLU 34 HG1 GLU 34 7.377 7.270 -21.060 129 H VAL 35 HN VAL 35 6.729 6.644 -16.937 130 HA VAL 35 HA VAL 35 7.990 7.978 -14.768 131 HB VAL 35 HB VAL 35 5.523 6.242 -14.877 132 HG11 VAL 35 HG11 VAL 35 4.930 7.228 -12.708 133 HG12 VAL 35 HG12 VAL 35 6.510 8.011 -12.643 134 HG13 VAL 35 HG13 VAL 35 6.397 6.252 -12.612 135 HG21 VAL 35 HG21 VAL 35 5.381 8.276 -16.207 136 HG22 VAL 35 HG22 VAL 35 5.871 9.237 -14.812 137 HG23 VAL 35 HG23 VAL 35 4.329 8.380 -14.795 138 H ILE 36 HN ILE 36 7.217 4.539 -15.363 139 HA ILE 36 HA ILE 36 8.467 3.689 -12.947 140 HB ILE 36 HB ILE 36 6.666 2.399 -14.090 141 HG12 ILE 36 HG12 ILE 36 9.199 0.783 -13.751 142 HG13 ILE 36 HG11 ILE 36 8.250 1.405 -12.404 143 HG21 ILE 36 HG21 ILE 36 7.242 0.948 -15.975 144 HG22 ILE 36 HG22 ILE 36 8.851 1.670 -16.038 145 HG23 ILE 36 HG23 ILE 36 7.429 2.653 -16.391 146 HD11 ILE 36 HD11 ILE 36 6.344 0.083 -13.120 147 HD12 ILE 36 HD12 ILE 36 7.758 -0.935 -12.857 148 HD13 ILE 36 HD13 ILE 36 7.264 -0.519 -14.498 149 H ALA 37 HN ALA 37 9.602 4.362 -16.140 150 HA ALA 37 HA ALA 37 11.954 2.826 -16.163 151 HB1 ALA 37 HB1 ALA 37 11.487 5.495 -17.494 152 HB2 ALA 37 HB2 ALA 37 11.019 3.927 -18.155 153 HB3 ALA 37 HB3 ALA 37 12.724 4.308 -17.917 154 H VAL 38 HN VAL 38 11.335 6.133 -14.996 155 HA VAL 38 HA VAL 38 14.045 6.626 -14.315 156 HB VAL 38 HB VAL 38 12.312 8.425 -14.666 157 HG11 VAL 38 HG11 VAL 38 10.985 9.122 -12.719 158 HG12 VAL 38 HG12 VAL 38 11.474 7.647 -11.883 159 HG13 VAL 38 HG13 VAL 38 10.495 7.549 -13.348 160 HG21 VAL 38 HG21 VAL 38 13.260 9.930 -13.002 161 HG22 VAL 38 HG22 VAL 38 14.502 8.899 -13.714 162 HG23 VAL 38 HG23 VAL 38 13.883 8.549 -12.100 163 H LEU 39 HN LEU 39 11.345 5.172 -12.634 164 HA LEU 39 HA LEU 39 12.490 5.083 -10.056 165 HB2 LEU 39 HB2 LEU 39 10.301 3.652 -11.459 166 HB3 LEU 39 HB1 LEU 39 10.967 2.873 -10.039 167 HG LEU 39 HG LEU 39 10.454 4.897 -8.715 168 HD11 LEU 39 HD11 LEU 39 8.971 6.596 -9.638 169 HD12 LEU 39 HD12 LEU 39 9.070 5.826 -11.221 170 HD13 LEU 39 HD13 LEU 39 10.509 6.548 -10.500 171 HD21 LEU 39 HD21 LEU 39 8.910 3.012 -8.775 172 HD22 LEU 39 HD22 LEU 39 8.098 3.719 -10.173 173 HD23 LEU 39 HD23 LEU 39 8.052 4.545 -8.616 174 H GLN 40 HN GLN 40 12.469 2.730 -12.711 175 HA GLN 40 HA GLN 40 13.970 0.732 -11.455 176 HB2 GLN 40 HB2 GLN 40 12.709 0.409 -13.550 177 HB3 GLN 40 HB1 GLN 40 13.864 1.426 -14.400 178 HG2 GLN 40 HG2 GLN 40 15.637 -0.192 -13.896 179 HG3 GLN 40 HG1 GLN 40 14.455 -1.215 -13.080 180 HE21 GLN 40 HE21 GLN 40 16.130 -1.767 -15.394 181 HE22 GLN 40 HE22 GLN 40 15.049 -2.211 -16.667 182 H MET 41 HN MET 41 14.983 3.565 -13.299 183 HA MET 41 HA MET 41 17.747 2.819 -13.325 184 HB2 MET 41 HB2 MET 41 16.341 5.401 -13.999 185 HB3 MET 41 HB1 MET 41 18.080 5.187 -14.139 186 HG2 MET 41 HG2 MET 41 17.699 3.344 -15.726 187 HG3 MET 41 HG1 MET 41 15.965 3.639 -15.617 188 HE1 MET 41 HE1 MET 41 16.935 4.917 -19.209 189 HE2 MET 41 HE2 MET 41 15.894 3.833 -18.289 190 HE3 MET 41 HE3 MET 41 17.636 3.551 -18.342 191 H HIS 42 HN HIS 42 15.811 3.969 -10.864 192 HA HIS 42 HA HIS 42 18.170 5.093 -9.507 193 HB2 HIS 42 HB2 HIS 42 15.243 5.673 -9.152 194 HB3 HIS 42 HB1 HIS 42 16.394 6.006 -7.859 195 HD1 HIS 42 HD1 HIS 42 18.461 7.639 -8.626 196 HD2 HIS 42 HD2 HIS 42 15.019 7.696 -10.966 197 HE1 HIS 42 HE1 HIS 42 18.587 9.760 -9.971 198 HE2 HIS 42 HE2 HIS 42 16.425 9.849 -11.268 199 H ASN 43 HN ASN 43 16.749 2.292 -9.868 200 HA ASN 43 HA ASN 43 16.953 0.308 -8.797 201 HB2 ASN 43 HB2 ASN 43 19.234 1.403 -8.302 202 HB3 ASN 43 HB1 ASN 43 18.607 1.677 -6.682 203 HD21 ASN 43 HD21 ASN 43 18.448 -0.025 -5.275 204 HD22 ASN 43 HD22 ASN 43 19.037 -1.614 -5.622 205 H ILE 44 HN ILE 44 14.827 2.254 -8.015 206 HA ILE 44 HA ILE 44 14.304 1.412 -5.261 207 HB ILE 44 HB ILE 44 13.961 3.805 -5.816 208 HG12 ILE 44 HG12 ILE 44 11.436 2.299 -5.093 209 HG13 ILE 44 HG11 ILE 44 12.705 2.780 -3.973 210 HG21 ILE 44 HG21 ILE 44 13.241 3.563 -8.121 211 HG22 ILE 44 HG22 ILE 44 12.050 4.473 -7.192 212 HG23 ILE 44 HG23 ILE 44 11.753 2.781 -7.591 213 HD11 ILE 44 HD11 ILE 44 10.903 4.619 -5.526 214 HD12 ILE 44 HD12 ILE 44 12.204 5.134 -4.453 215 HD13 ILE 44 HD13 ILE 44 10.814 4.266 -3.800 216 H GLU 45 HN GLU 45 12.382 0.322 -4.688 217 HA GLU 45 HA GLU 45 11.524 -1.670 -6.506 218 HB2 GLU 45 HB2 GLU 45 10.295 -0.781 -3.887 219 HB3 GLU 45 HB1 GLU 45 9.879 -2.254 -4.752 220 HG2 GLU 45 HG2 GLU 45 12.535 -1.572 -3.524 221 HG3 GLU 45 HG1 GLU 45 11.376 -2.772 -2.952 222 H ALA 46 HN ALA 46 9.718 -1.824 -7.758 223 HA ALA 46 HA ALA 46 7.860 0.451 -7.771 224 HB1 ALA 46 HB1 ALA 46 7.950 0.507 -10.238 225 HB2 ALA 46 HB2 ALA 46 9.257 -0.677 -10.197 226 HB3 ALA 46 HB3 ALA 46 9.494 0.922 -9.497 227 H ASN 47 HN ASN 47 5.852 -0.273 -7.599 228 HA ASN 47 HA ASN 47 5.257 -2.977 -8.597 229 HB2 ASN 47 HB2 ASN 47 3.827 -1.361 -6.477 230 HB3 ASN 47 HB1 ASN 47 3.331 -2.951 -7.039 231 HD21 ASN 47 HD21 ASN 47 6.156 -3.824 -7.265 232 HD22 ASN 47 HD22 ASN 47 6.655 -4.144 -5.637 233 H LYS 48 HN LYS 48 3.242 -3.322 -9.661 234 HA LYS 48 HA LYS 48 2.456 -0.953 -11.214 235 HB2 LYS 48 HB2 LYS 48 3.439 -2.886 -12.437 236 HB3 LYS 48 HB1 LYS 48 2.119 -3.891 -11.862 237 HG2 LYS 48 HG2 LYS 48 0.549 -2.316 -13.037 238 HG3 LYS 48 HG1 LYS 48 1.975 -1.579 -13.773 239 HD2 LYS 48 HD2 LYS 48 2.608 -3.808 -14.667 240 HD3 LYS 48 HD1 LYS 48 1.106 -4.460 -14.011 241 HE2 LYS 48 HE2 LYS 48 0.691 -4.022 -16.287 242 HE3 LYS 48 HE1 LYS 48 -0.106 -2.731 -15.391 243 HZ1 LYS 48 HZ1 LYS 48 2.483 -2.573 -16.833 244 HZ2 LYS 48 HZ2 LYS 48 1.879 -1.337 -15.848 245 HZ3 LYS 48 HZ3 LYS 48 1.035 -1.792 -17.249 246 H ILE 49 HN ILE 49 0.534 -0.069 -10.680 247 HA ILE 49 HA ILE 49 -1.620 -1.925 -9.916 248 HB ILE 49 HB ILE 49 -2.632 -0.088 -8.554 249 HG12 ILE 49 HG12 ILE 49 0.120 1.160 -8.731 250 HG13 ILE 49 HG11 ILE 49 -1.308 1.771 -9.561 251 HG21 ILE 49 HG21 ILE 49 0.052 -1.098 -7.645 252 HG22 ILE 49 HG22 ILE 49 -1.484 -1.955 -7.518 253 HG23 ILE 49 HG23 ILE 49 -1.223 -0.470 -6.602 254 HD11 ILE 49 HD11 ILE 49 -0.898 3.047 -7.563 255 HD12 ILE 49 HD12 ILE 49 -0.911 1.581 -6.584 256 HD13 ILE 49 HD13 ILE 49 -2.388 2.124 -7.379 257 H ASP 50 HN ASP 50 -3.112 -1.986 -11.402 258 HA ASP 50 HA ASP 50 -3.799 0.493 -12.832 259 HB2 ASP 50 HB2 ASP 50 -4.772 -0.876 -14.585 260 HB3 ASP 50 HB1 ASP 50 -3.120 -1.409 -14.293 261 H SER 51 HN SER 51 -5.855 1.261 -12.742 262 HA SER 51 HA SER 51 -7.983 -0.311 -11.563 263 HB2 SER 51 HB2 SER 51 -7.052 2.247 -10.225 264 HB3 SER 51 HB1 SER 51 -8.478 1.312 -9.778 265 HG SER 51 HG SER 51 -6.389 -0.336 -9.814 266 H GLY 52 HN GLY 52 -10.001 0.421 -12.165 267 HA2 GLY 52 HA2 GLY 52 -10.193 1.886 -14.525 268 HA3 GLY 52 HA1 GLY 52 -11.536 1.515 -13.458 269 H LYS 53 HN LYS 53 -10.662 2.993 -11.183 270 HA LYS 53 HA LYS 53 -11.531 5.591 -12.112 271 HB2 LYS 53 HB2 LYS 53 -11.782 6.161 -9.752 272 HB3 LYS 53 HB1 LYS 53 -12.555 4.628 -10.115 273 HG2 LYS 53 HG2 LYS 53 -11.533 4.170 -8.109 274 HG3 LYS 53 HG1 LYS 53 -10.312 3.608 -9.249 275 HD2 LYS 53 HD2 LYS 53 -9.065 5.664 -8.981 276 HD3 LYS 53 HD1 LYS 53 -10.322 6.326 -7.934 277 HE2 LYS 53 HE2 LYS 53 -9.885 4.476 -6.337 278 HE3 LYS 53 HE1 LYS 53 -8.559 3.945 -7.370 279 HZ1 LYS 53 HZ1 LYS 53 -7.370 5.933 -6.940 280 HZ2 LYS 53 HZ2 LYS 53 -7.910 5.380 -5.435 281 HZ3 LYS 53 HZ3 LYS 53 -8.704 6.667 -6.200 282 H LEU 54 HN LEU 54 -8.541 4.178 -11.651 283 HA LEU 54 HA LEU 54 -7.294 6.722 -10.850 284 HB2 LEU 54 HB2 LEU 54 -6.957 4.908 -9.261 285 HB3 LEU 54 HB1 LEU 54 -6.315 3.886 -10.531 286 HG LEU 54 HG LEU 54 -4.396 5.432 -10.777 287 HD11 LEU 54 HD11 LEU 54 -5.563 6.789 -8.352 288 HD12 LEU 54 HD12 LEU 54 -5.483 7.468 -9.978 289 HD13 LEU 54 HD13 LEU 54 -3.996 7.135 -9.086 290 HD21 LEU 54 HD21 LEU 54 -4.838 4.367 -7.988 291 HD22 LEU 54 HD22 LEU 54 -3.280 4.799 -8.692 292 HD23 LEU 54 HD23 LEU 54 -4.209 3.459 -9.363 293 H GLY 55 HN GLY 55 -7.132 4.042 -13.121 294 HA2 GLY 55 HA2 GLY 55 -6.275 4.260 -15.332 295 HA3 GLY 55 HA1 GLY 55 -5.276 5.600 -14.779 296 H TYR 56 HN TYR 56 -3.205 5.041 -14.942 297 HA TYR 56 HA TYR 56 -2.427 2.437 -13.808 298 HB2 TYR 56 HB2 TYR 56 -1.215 3.882 -16.172 299 HB3 TYR 56 HB1 TYR 56 -0.486 2.481 -15.393 300 HD1 TYR 56 HD1 TYR 56 -3.208 3.653 -17.538 301 HD2 TYR 56 HD2 TYR 56 -1.438 0.265 -15.676 302 HE1 TYR 56 HE1 TYR 56 -4.514 2.175 -19.002 303 HE2 TYR 56 HE2 TYR 56 -2.744 -1.223 -17.134 304 HH TYR 56 HH TYR 56 -4.363 -0.122 -19.894 305 H SER 57 HN SER 57 -1.312 2.670 -12.008 306 HA SER 57 HA SER 57 0.494 4.983 -11.781 307 HB2 SER 57 HB2 SER 57 -1.294 3.760 -9.684 308 HB3 SER 57 HB1 SER 57 0.079 4.786 -9.270 309 HG SER 57 HG SER 57 -1.983 5.580 -11.047 310 H ILE 58 HN ILE 58 2.354 4.662 -10.456 311 HA ILE 58 HA ILE 58 3.186 1.845 -10.264 312 HB ILE 58 HB ILE 58 5.035 4.236 -10.263 313 HG12 ILE 58 HG12 ILE 58 3.683 4.186 -12.364 314 HG13 ILE 58 HG11 ILE 58 5.398 3.923 -12.643 315 HG21 ILE 58 HG21 ILE 58 5.482 1.309 -10.845 316 HG22 ILE 58 HG22 ILE 58 5.951 2.166 -9.377 317 HG23 ILE 58 HG23 ILE 58 6.715 2.570 -10.914 318 HD11 ILE 58 HD11 ILE 58 4.966 1.503 -12.808 319 HD12 ILE 58 HD12 ILE 58 4.087 2.440 -14.017 320 HD13 ILE 58 HD13 ILE 58 3.245 1.823 -12.597 321 H THR 59 HN THR 59 2.696 1.256 -8.197 322 HA THR 59 HA THR 59 2.926 3.256 -6.091 323 HB THR 59 HB THR 59 0.861 1.918 -6.165 324 HG1 THR 59 HG1 THR 59 2.479 1.350 -3.887 325 HG21 THR 59 HG21 THR 59 2.616 -0.428 -5.460 326 HG22 THR 59 HG22 THR 59 1.871 -0.165 -7.037 327 HG23 THR 59 HG23 THR 59 0.860 -0.436 -5.615 328 H VAL 60 HN VAL 60 4.070 2.906 -4.182 329 HA VAL 60 HA VAL 60 6.173 0.853 -4.289 330 HB VAL 60 HB VAL 60 7.702 2.477 -3.182 331 HG11 VAL 60 HG11 VAL 60 7.844 2.130 -5.593 332 HG12 VAL 60 HG12 VAL 60 8.203 3.807 -5.179 333 HG13 VAL 60 HG13 VAL 60 6.629 3.383 -5.854 334 HG21 VAL 60 HG21 VAL 60 5.518 4.462 -3.804 335 HG22 VAL 60 HG22 VAL 60 7.137 4.873 -3.242 336 HG23 VAL 60 HG23 VAL 60 6.047 3.957 -2.201 337 H ALA 61 HN ALA 61 7.192 0.649 -2.008 338 HA ALA 61 HA ALA 61 5.182 0.117 -0.086 339 HB1 ALA 61 HB1 ALA 61 7.327 -1.077 -0.121 340 HB2 ALA 61 HB2 ALA 61 7.024 -0.327 1.448 341 HB3 ALA 61 HB3 ALA 61 8.158 0.414 0.319 342 H GLU 62 HN GLU 62 4.885 1.172 1.962 343 HA GLU 62 HA GLU 62 4.401 3.882 1.785 344 HB2 GLU 62 HB2 GLU 62 4.636 2.019 4.120 345 HB3 GLU 62 HB1 GLU 62 4.371 3.737 4.382 346 HG2 GLU 62 HG2 GLU 62 2.298 2.367 4.375 347 HG3 GLU 62 HG1 GLU 62 2.301 3.684 3.205 348 HA PRO 63 HA PRO 63 8.539 4.778 4.248 349 HB2 PRO 63 HB2 PRO 63 10.173 2.479 3.334 350 HB3 PRO 63 HB1 PRO 63 10.114 3.261 4.915 351 HG2 PRO 63 HG2 PRO 63 9.013 0.867 4.546 352 HG3 PRO 63 HG1 PRO 63 8.232 2.081 5.579 353 HD2 PRO 63 HD2 PRO 63 7.577 1.276 2.770 354 HD3 PRO 63 HD1 PRO 63 6.485 1.627 4.127 355 H ASP 64 HN ASP 64 8.209 3.388 1.086 356 HA ASP 64 HA ASP 64 10.465 4.949 0.046 357 HB2 ASP 64 HB2 ASP 64 8.781 2.787 -1.239 358 HB3 ASP 64 HB1 ASP 64 10.054 3.672 -2.073 359 H PHE 65 HN PHE 65 7.333 5.503 0.672 360 HA PHE 65 HA PHE 65 6.185 6.369 -1.718 361 HB2 PHE 65 HB2 PHE 65 4.913 6.056 0.362 362 HB3 PHE 65 HB1 PHE 65 5.719 7.451 1.068 363 HD1 PHE 65 HD2 PHE 65 3.353 6.374 -1.552 364 HD2 PHE 65 HD1 PHE 65 4.977 9.649 0.625 365 HE1 PHE 65 HE2 PHE 65 1.590 7.840 -2.448 366 HE2 PHE 65 HE1 PHE 65 3.218 11.119 -0.267 367 HZ PHE 65 HZ PHE 65 1.520 10.216 -1.805 368 H THR 66 HN THR 66 8.135 8.159 0.624 369 HA THR 66 HA THR 66 7.870 10.670 -0.643 370 HB THR 66 HB THR 66 8.544 10.464 1.702 371 HG1 THR 66 HG1 THR 66 9.196 12.315 0.371 372 HG21 THR 66 HG21 THR 66 11.142 9.377 0.609 373 HG22 THR 66 HG22 THR 66 9.950 8.476 1.544 374 HG23 THR 66 HG23 THR 66 10.836 9.804 2.294 375 H ALA 67 HN ALA 67 9.872 7.931 -1.287 376 HA ALA 67 HA ALA 67 11.873 9.369 -2.766 377 HB1 ALA 67 HB1 ALA 67 11.301 6.408 -2.655 378 HB2 ALA 67 HB2 ALA 67 12.411 7.282 -1.597 379 HB3 ALA 67 HB3 ALA 67 12.745 7.167 -3.324 380 H ALA 68 HN ALA 68 9.069 7.342 -3.527 381 HA ALA 68 HA ALA 68 9.284 7.216 -6.289 382 HB1 ALA 68 HB1 ALA 68 6.861 6.867 -6.315 383 HB2 ALA 68 HB2 ALA 68 6.757 7.442 -4.649 384 HB3 ALA 68 HB3 ALA 68 7.627 5.951 -5.018 385 H VAL 69 HN VAL 69 7.561 9.652 -4.352 386 HA VAL 69 HA VAL 69 6.741 11.272 -6.488 387 HB VAL 69 HB VAL 69 7.360 12.160 -3.662 388 HG11 VAL 69 HG11 VAL 69 7.088 14.028 -5.199 389 HG12 VAL 69 HG12 VAL 69 5.714 13.923 -4.099 390 HG13 VAL 69 HG13 VAL 69 5.557 13.358 -5.762 391 HG21 VAL 69 HG21 VAL 69 4.793 11.091 -4.834 392 HG22 VAL 69 HG22 VAL 69 4.984 11.759 -3.212 393 HG23 VAL 69 HG23 VAL 69 5.823 10.273 -3.658 394 H TYR 70 HN TYR 70 9.711 11.232 -4.594 395 HA TYR 70 HA TYR 70 10.827 13.630 -5.530 396 HB2 TYR 70 HB2 TYR 70 11.665 12.422 -3.561 397 HB3 TYR 70 HB1 TYR 70 12.228 11.117 -4.600 398 HD1 TYR 70 HD2 TYR 70 12.534 14.842 -4.873 399 HD2 TYR 70 HD1 TYR 70 14.530 11.099 -4.565 400 HE1 TYR 70 HE2 TYR 70 14.701 15.982 -5.133 401 HE2 TYR 70 HE1 TYR 70 16.696 12.224 -4.824 402 HH TYR 70 HH TYR 70 17.645 14.225 -5.648 403 H TRP 71 HN TRP 71 10.956 10.329 -6.813 404 HA TRP 71 HA TRP 71 12.807 10.914 -8.886 405 HB2 TRP 71 HB2 TRP 71 10.725 8.719 -8.817 406 HB3 TRP 71 HB1 TRP 71 12.139 8.777 -9.862 407 HD1 TRP 71 HD1 TRP 71 11.290 6.593 -7.454 408 HE1 TRP 71 HE1 TRP 71 13.143 5.969 -5.782 409 HE3 TRP 71 HE3 TRP 71 14.442 10.556 -8.204 410 HZ2 TRP 71 HZ2 TRP 71 15.612 7.010 -4.903 411 HZ3 TRP 71 HZ3 TRP 71 16.523 10.661 -6.908 412 HH2 TRP 71 HH2 TRP 71 17.101 8.922 -5.297 413 H ILE 72 HN ILE 72 9.299 10.973 -8.669 414 HA ILE 72 HA ILE 72 8.791 11.360 -11.429 415 HB ILE 72 HB ILE 72 7.032 12.304 -9.162 416 HG12 ILE 72 HG12 ILE 72 7.554 9.981 -8.751 417 HG13 ILE 72 HG11 ILE 72 5.911 10.088 -9.370 418 HG21 ILE 72 HG21 ILE 72 6.398 11.479 -11.995 419 HG22 ILE 72 HG22 ILE 72 6.389 13.126 -11.364 420 HG23 ILE 72 HG23 ILE 72 5.215 11.948 -10.773 421 HD11 ILE 72 HD11 ILE 72 7.103 8.213 -10.341 422 HD12 ILE 72 HD12 ILE 72 8.345 9.303 -10.957 423 HD13 ILE 72 HD13 ILE 72 6.695 9.404 -11.574 424 H LYS 73 HN LYS 73 9.626 13.518 -8.824 425 HA LYS 73 HA LYS 73 8.852 15.952 -9.987 426 HB2 LYS 73 HB2 LYS 73 9.490 15.694 -7.616 427 HB3 LYS 73 HB1 LYS 73 11.158 15.423 -8.102 428 HG2 LYS 73 HG2 LYS 73 11.242 17.675 -9.055 429 HG3 LYS 73 HG1 LYS 73 9.575 17.945 -8.547 430 HD2 LYS 73 HD2 LYS 73 11.859 17.314 -6.681 431 HD3 LYS 73 HD1 LYS 73 11.247 18.935 -7.006 432 HE2 LYS 73 HE2 LYS 73 9.678 16.655 -5.808 433 HE3 LYS 73 HE1 LYS 73 10.339 18.028 -4.924 434 HZ1 LYS 73 HZ1 LYS 73 8.043 18.431 -5.336 435 HZ2 LYS 73 HZ2 LYS 73 8.202 18.084 -6.986 436 HZ3 LYS 73 HZ3 LYS 73 8.923 19.480 -6.344 437 H THR 74 HN THR 74 11.762 13.998 -10.361 438 HA THR 74 HA THR 74 13.098 16.017 -11.921 439 HB THR 74 HB THR 74 14.635 13.916 -12.410 440 HG1 THR 74 HG1 THR 74 12.944 12.591 -11.217 441 HG21 THR 74 HG21 THR 74 14.479 15.314 -9.741 442 HG22 THR 74 HG22 THR 74 15.302 15.915 -11.182 443 HG23 THR 74 HG23 THR 74 15.887 14.460 -10.372 444 H TYR 75 HN TYR 75 10.615 13.943 -12.631 445 HA TYR 75 HA TYR 75 11.393 13.444 -15.377 446 HB2 TYR 75 HB2 TYR 75 9.942 11.780 -14.386 447 HB3 TYR 75 HB1 TYR 75 8.780 13.014 -13.908 448 HD1 TYR 75 HD1 TYR 75 10.449 11.777 -17.023 449 HD2 TYR 75 HD2 TYR 75 6.900 13.262 -15.208 450 HE1 TYR 75 HE1 TYR 75 9.262 11.534 -19.163 451 HE2 TYR 75 HE2 TYR 75 5.702 13.019 -17.340 452 HH TYR 75 HH TYR 75 7.076 11.357 -20.056 453 H GLN 76 HN GLN 76 9.722 15.832 -13.534 454 HA GLN 76 HA GLN 76 8.217 16.952 -15.689 455 HB2 GLN 76 HB2 GLN 76 8.912 18.299 -13.078 456 HB3 GLN 76 HB1 GLN 76 7.549 18.645 -14.135 457 HG2 GLN 76 HG2 GLN 76 7.969 16.159 -12.490 458 HG3 GLN 76 HG1 GLN 76 6.797 17.440 -12.191 459 HE21 GLN 76 HE21 GLN 76 6.442 14.566 -12.625 460 HE22 GLN 76 HE22 GLN 76 5.338 14.427 -13.948 Start of MODEL 16 1 H1 LYS 19 HT1 LYS 19 1.140 -0.758 1.921 2 H2 LYS 19 HT2 LYS 19 -0.235 -0.697 0.928 3 H3 LYS 19 HT3 LYS 19 0.595 0.726 1.314 4 HA LYS 19 HA LYS 19 2.569 -0.146 0.152 5 HB2 LYS 19 HB2 LYS 19 0.576 -2.262 -0.673 6 HB3 LYS 19 HB1 LYS 19 2.089 -1.974 -1.514 7 HG2 LYS 19 HG2 LYS 19 3.332 -2.567 0.496 8 HG3 LYS 19 HG1 LYS 19 1.814 -2.831 1.361 9 HD2 LYS 19 HD2 LYS 19 1.216 -4.585 -0.254 10 HD3 LYS 19 HD1 LYS 19 2.752 -4.338 -1.082 11 HE2 LYS 19 HE2 LYS 19 2.791 -6.284 0.422 12 HE3 LYS 19 HE1 LYS 19 3.967 -5.054 0.879 13 HZ1 LYS 19 HZ1 LYS 19 2.377 -6.182 2.627 14 HZ2 LYS 19 HZ2 LYS 19 1.335 -4.935 2.145 15 HZ3 LYS 19 HZ3 LYS 19 2.866 -4.569 2.779 16 H ASP 20 HN ASP 20 -0.567 -0.735 -1.446 17 HA ASP 20 HA ASP 20 0.300 0.747 -3.724 18 HB2 ASP 20 HB2 ASP 20 -2.017 0.255 -4.592 19 HB3 ASP 20 HB1 ASP 20 -1.047 -1.150 -4.176 20 H LYS 21 HN LYS 21 0.613 2.813 -3.276 21 HA LYS 21 HA LYS 21 -1.802 4.427 -2.753 22 HB2 LYS 21 HB2 LYS 21 1.119 5.193 -2.494 23 HB3 LYS 21 HB1 LYS 21 -0.232 6.282 -2.241 24 HG2 LYS 21 HG2 LYS 21 0.069 3.789 -0.612 25 HG3 LYS 21 HG1 LYS 21 0.936 5.266 -0.198 26 HD2 LYS 21 HD2 LYS 21 -0.992 5.403 1.094 27 HD3 LYS 21 HD1 LYS 21 -1.384 6.395 -0.311 28 HE2 LYS 21 HE2 LYS 21 -2.680 4.623 -1.271 29 HE3 LYS 21 HE1 LYS 21 -2.153 3.497 -0.021 30 HZ1 LYS 21 HZ1 LYS 21 -3.244 5.079 1.603 31 HZ2 LYS 21 HZ2 LYS 21 -4.281 4.172 0.618 32 HZ3 LYS 21 HZ3 LYS 21 -3.991 5.803 0.262 33 H ASP 22 HN ASP 22 -2.314 6.055 -4.287 34 HA ASP 22 HA ASP 22 -1.356 5.409 -6.924 35 HB2 ASP 22 HB2 ASP 22 -3.052 7.055 -7.702 36 HB3 ASP 22 HB1 ASP 22 -3.716 5.781 -6.691 37 H LEU 23 HN LEU 23 0.537 6.113 -7.495 38 HA LEU 23 HA LEU 23 1.690 8.577 -6.597 39 HB2 LEU 23 HB2 LEU 23 3.004 6.527 -7.132 40 HB3 LEU 23 HB1 LEU 23 2.559 6.715 -8.813 41 HG LEU 23 HG LEU 23 3.777 8.843 -8.904 42 HD11 LEU 23 HD11 LEU 23 4.574 8.182 -6.073 43 HD12 LEU 23 HD12 LEU 23 3.550 9.524 -6.582 44 HD13 LEU 23 HD13 LEU 23 5.248 9.481 -7.055 45 HD21 LEU 23 HD21 LEU 23 5.376 6.512 -7.858 46 HD22 LEU 23 HD22 LEU 23 6.025 7.884 -8.757 47 HD23 LEU 23 HD23 LEU 23 4.890 6.781 -9.533 48 H LEU 24 HN LEU 24 0.214 7.396 -9.543 49 HA LEU 24 HA LEU 24 0.156 10.129 -10.629 50 HB2 LEU 24 HB2 LEU 24 0.574 7.551 -12.152 51 HB3 LEU 24 HB1 LEU 24 0.420 9.143 -12.871 52 HG LEU 24 HG LEU 24 2.626 8.474 -10.935 53 HD11 LEU 24 HD11 LEU 24 2.691 8.281 -13.939 54 HD12 LEU 24 HD12 LEU 24 2.730 6.918 -12.822 55 HD13 LEU 24 HD13 LEU 24 4.061 8.074 -12.851 56 HD21 LEU 24 HD21 LEU 24 2.258 10.622 -13.018 57 HD22 LEU 24 HD22 LEU 24 3.723 10.372 -12.069 58 HD23 LEU 24 HD23 LEU 24 2.221 10.834 -11.267 59 H LYS 25 HN LYS 25 -1.709 10.516 -12.049 60 HA LYS 25 HA LYS 25 -3.885 8.602 -11.618 61 HB2 LYS 25 HB2 LYS 25 -4.169 11.579 -11.165 62 HB3 LYS 25 HB1 LYS 25 -5.431 10.372 -10.985 63 HG2 LYS 25 HG2 LYS 25 -4.841 10.705 -8.802 64 HG3 LYS 25 HG1 LYS 25 -3.780 9.357 -9.214 65 HD2 LYS 25 HD2 LYS 25 -1.979 10.997 -9.706 66 HD3 LYS 25 HD1 LYS 25 -3.044 12.285 -9.147 67 HE2 LYS 25 HE2 LYS 25 -1.973 9.980 -7.527 68 HE3 LYS 25 HE1 LYS 25 -1.532 11.679 -7.374 69 HZ1 LYS 25 HZ1 LYS 25 -3.048 11.274 -5.667 70 HZ2 LYS 25 HZ2 LYS 25 -4.082 10.369 -6.651 71 HZ3 LYS 25 HZ3 LYS 25 -3.974 12.054 -6.854 72 H GLY 26 HN GLY 26 -4.619 8.052 -13.556 73 HA2 GLY 26 HA2 GLY 26 -5.894 8.491 -15.468 74 HA3 GLY 26 HA1 GLY 26 -5.411 10.178 -15.381 75 H LEU 27 HN LEU 27 -3.302 7.330 -15.407 76 HA LEU 27 HA LEU 27 -2.244 8.319 -17.968 77 HB2 LEU 27 HB2 LEU 27 -0.825 7.093 -15.627 78 HB3 LEU 27 HB1 LEU 27 -0.133 7.018 -17.234 79 HG LEU 27 HG LEU 27 -0.320 9.558 -17.281 80 HD11 LEU 27 HD11 LEU 27 -1.866 9.839 -15.432 81 HD12 LEU 27 HD12 LEU 27 -0.349 10.678 -15.113 82 HD13 LEU 27 HD13 LEU 27 -0.686 9.140 -14.321 83 HD21 LEU 27 HD21 LEU 27 1.754 9.828 -15.973 84 HD22 LEU 27 HD22 LEU 27 1.797 8.438 -17.059 85 HD23 LEU 27 HD23 LEU 27 1.529 8.201 -15.332 86 H ASP 28 HN ASP 28 -1.415 6.757 -19.439 87 HA ASP 28 HA ASP 28 -2.816 4.183 -19.290 88 HB2 ASP 28 HB2 ASP 28 -1.535 5.606 -21.641 89 HB3 ASP 28 HB1 ASP 28 -2.321 4.034 -21.727 90 H GLN 29 HN GLN 29 -1.463 2.468 -20.657 91 HA GLN 29 HA GLN 29 0.842 1.795 -19.206 92 HB2 GLN 29 HB2 GLN 29 -0.543 0.183 -20.478 93 HB3 GLN 29 HB1 GLN 29 0.040 0.887 -21.978 94 HG2 GLN 29 HG2 GLN 29 1.242 -1.126 -21.578 95 HG3 GLN 29 HG1 GLN 29 2.341 0.230 -21.326 96 HE21 GLN 29 HE21 GLN 29 0.539 -2.325 -19.817 97 HE22 GLN 29 HE22 GLN 29 1.366 -2.282 -18.292 98 H GLU 30 HN GLU 30 0.381 3.682 -22.097 99 HA GLU 30 HA GLU 30 2.959 3.550 -23.190 100 HB2 GLU 30 HB2 GLU 30 0.817 4.424 -24.266 101 HB3 GLU 30 HB1 GLU 30 1.118 5.928 -23.404 102 HG2 GLU 30 HG2 GLU 30 1.939 6.136 -25.634 103 HG3 GLU 30 HG1 GLU 30 3.314 6.081 -24.529 104 H GLN 31 HN GLN 31 1.498 6.145 -21.217 105 HA GLN 31 HA GLN 31 3.890 7.659 -21.083 106 HB2 GLN 31 HB2 GLN 31 1.462 7.766 -19.284 107 HB3 GLN 31 HB1 GLN 31 2.745 8.964 -19.327 108 HG2 GLN 31 HG2 GLN 31 0.996 9.881 -20.576 109 HG3 GLN 31 HG1 GLN 31 2.158 9.302 -21.767 110 HE21 GLN 31 HE21 GLN 31 0.636 9.122 -23.389 111 HE22 GLN 31 HE22 GLN 31 -0.593 7.901 -23.379 112 H ALA 32 HN ALA 32 2.714 4.972 -19.305 113 HA ALA 32 HA ALA 32 4.118 5.363 -16.880 114 HB1 ALA 32 HB1 ALA 32 3.179 2.789 -18.134 115 HB2 ALA 32 HB2 ALA 32 2.225 3.833 -17.084 116 HB3 ALA 32 HB3 ALA 32 3.651 3.013 -16.450 117 H ASN 33 HN ASN 33 5.132 4.357 -20.014 118 HA ASN 33 HA ASN 33 7.385 2.800 -19.297 119 HB2 ASN 33 HB2 ASN 33 6.377 2.938 -21.607 120 HB3 ASN 33 HB1 ASN 33 7.124 4.524 -21.770 121 HD21 ASN 33 HD21 ASN 33 7.594 1.134 -21.814 122 HD22 ASN 33 HD22 ASN 33 9.271 1.139 -22.263 123 H GLU 34 HN GLU 34 6.988 6.249 -19.988 124 HA GLU 34 HA GLU 34 9.672 7.010 -19.587 125 HB2 GLU 34 HB2 GLU 34 7.049 8.476 -19.426 126 HB3 GLU 34 HB1 GLU 34 8.560 9.280 -19.027 127 HG2 GLU 34 HG2 GLU 34 7.968 7.947 -21.656 128 HG3 GLU 34 HG1 GLU 34 7.818 9.676 -21.339 129 H VAL 35 HN VAL 35 6.935 6.662 -17.435 130 HA VAL 35 HA VAL 35 8.134 7.877 -15.182 131 HB VAL 35 HB VAL 35 5.806 5.968 -15.375 132 HG11 VAL 35 HG11 VAL 35 6.728 5.869 -13.139 133 HG12 VAL 35 HG12 VAL 35 5.216 6.776 -13.119 134 HG13 VAL 35 HG13 VAL 35 6.757 7.630 -13.045 135 HG21 VAL 35 HG21 VAL 35 5.468 8.071 -16.547 136 HG22 VAL 35 HG22 VAL 35 5.949 8.969 -15.106 137 HG23 VAL 35 HG23 VAL 35 4.468 8.009 -15.094 138 H ILE 36 HN ILE 36 7.606 4.430 -15.997 139 HA ILE 36 HA ILE 36 8.737 3.428 -13.633 140 HB ILE 36 HB ILE 36 7.324 2.094 -15.192 141 HG12 ILE 36 HG12 ILE 36 10.011 0.854 -14.553 142 HG13 ILE 36 HG11 ILE 36 8.675 1.024 -13.419 143 HG21 ILE 36 HG21 ILE 36 8.425 0.973 -17.101 144 HG22 ILE 36 HG22 ILE 36 9.840 1.994 -16.852 145 HG23 ILE 36 HG23 ILE 36 8.299 2.720 -17.307 146 HD11 ILE 36 HD11 ILE 36 7.315 -0.452 -14.794 147 HD12 ILE 36 HD12 ILE 36 8.818 -1.236 -14.302 148 HD13 ILE 36 HD13 ILE 36 8.644 -0.611 -15.944 149 H ALA 37 HN ALA 37 10.221 4.671 -16.486 150 HA ALA 37 HA ALA 37 12.732 3.435 -16.349 151 HB1 ALA 37 HB1 ALA 37 12.046 6.192 -17.361 152 HB2 ALA 37 HB2 ALA 37 11.986 4.699 -18.296 153 HB3 ALA 37 HB3 ALA 37 13.531 5.304 -17.703 154 H VAL 38 HN VAL 38 11.469 6.343 -14.734 155 HA VAL 38 HA VAL 38 14.030 7.064 -13.686 156 HB VAL 38 HB VAL 38 12.123 8.686 -14.058 157 HG11 VAL 38 HG11 VAL 38 10.562 9.013 -12.181 158 HG12 VAL 38 HG12 VAL 38 11.133 7.500 -11.476 159 HG13 VAL 38 HG13 VAL 38 10.309 7.491 -13.035 160 HG21 VAL 38 HG21 VAL 38 12.723 10.073 -12.126 161 HG22 VAL 38 HG22 VAL 38 14.134 9.321 -12.873 162 HG23 VAL 38 HG23 VAL 38 13.479 8.672 -11.369 163 H LEU 39 HN LEU 39 11.365 5.082 -12.568 164 HA LEU 39 HA LEU 39 12.351 4.766 -9.908 165 HB2 LEU 39 HB2 LEU 39 10.473 3.078 -11.565 166 HB3 LEU 39 HB1 LEU 39 10.914 2.669 -9.922 167 HG LEU 39 HG LEU 39 8.829 3.695 -9.719 168 HD11 LEU 39 HD11 LEU 39 10.840 5.885 -9.246 169 HD12 LEU 39 HD12 LEU 39 10.421 4.594 -8.120 170 HD13 LEU 39 HD13 LEU 39 9.216 5.804 -8.563 171 HD21 LEU 39 HD21 LEU 39 8.192 5.786 -10.791 172 HD22 LEU 39 HD22 LEU 39 8.645 4.564 -11.980 173 HD23 LEU 39 HD23 LEU 39 9.767 5.866 -11.581 174 H GLN 40 HN GLN 40 12.618 2.876 -12.890 175 HA GLN 40 HA GLN 40 14.149 0.764 -11.899 176 HB2 GLN 40 HB2 GLN 40 13.110 0.643 -14.075 177 HB3 GLN 40 HB1 GLN 40 14.063 2.002 -14.654 178 HG2 GLN 40 HG2 GLN 40 16.096 0.674 -14.445 179 HG3 GLN 40 HG1 GLN 40 15.147 -0.688 -13.852 180 HE21 GLN 40 HE21 GLN 40 16.878 -0.351 -16.218 181 HE22 GLN 40 HE22 GLN 40 15.890 -0.815 -17.567 182 H MET 41 HN MET 41 15.172 3.861 -13.295 183 HA MET 41 HA MET 41 17.915 3.357 -13.367 184 HB2 MET 41 HB2 MET 41 16.331 5.901 -13.160 185 HB3 MET 41 HB1 MET 41 18.088 5.919 -13.182 186 HG2 MET 41 HG2 MET 41 16.330 4.746 -15.324 187 HG3 MET 41 HG1 MET 41 17.130 6.314 -15.394 188 HE1 MET 41 HE1 MET 41 18.138 5.555 -17.756 189 HE2 MET 41 HE2 MET 41 17.405 3.958 -17.609 190 HE3 MET 41 HE3 MET 41 19.121 4.109 -17.982 191 H HIS 42 HN HIS 42 15.898 4.511 -10.708 192 HA HIS 42 HA HIS 42 18.285 4.922 -9.084 193 HB2 HIS 42 HB2 HIS 42 15.733 6.122 -9.124 194 HB3 HIS 42 HB1 HIS 42 15.871 5.282 -7.580 195 HD1 HIS 42 HD1 HIS 42 17.746 6.077 -5.947 196 HD2 HIS 42 HD2 HIS 42 17.404 8.339 -9.427 197 HE1 HIS 42 HE1 HIS 42 19.101 8.161 -5.546 198 HE2 HIS 42 HE2 HIS 42 18.739 9.588 -7.592 199 H ASN 43 HN ASN 43 16.536 2.353 -9.928 200 HA ASN 43 HA ASN 43 16.536 0.204 -9.222 201 HB2 ASN 43 HB2 ASN 43 18.533 1.239 -7.206 202 HB3 ASN 43 HB1 ASN 43 18.193 -0.464 -7.490 203 HD21 ASN 43 HD21 ASN 43 17.870 -0.079 -10.375 204 HD22 ASN 43 HD22 ASN 43 19.462 0.141 -11.011 205 H ILE 44 HN ILE 44 14.704 2.226 -8.000 206 HA ILE 44 HA ILE 44 14.192 1.141 -5.353 207 HB ILE 44 HB ILE 44 13.892 3.525 -5.628 208 HG12 ILE 44 HG12 ILE 44 11.213 2.144 -5.353 209 HG13 ILE 44 HG11 ILE 44 12.374 2.415 -4.057 210 HG21 ILE 44 HG21 ILE 44 13.436 3.598 -8.007 211 HG22 ILE 44 HG22 ILE 44 12.193 4.471 -7.113 212 HG23 ILE 44 HG23 ILE 44 11.856 2.861 -7.743 213 HD11 ILE 44 HD11 ILE 44 10.555 4.013 -3.952 214 HD12 ILE 44 HD12 ILE 44 10.907 4.548 -5.595 215 HD13 ILE 44 HD13 ILE 44 12.078 4.828 -4.306 216 H GLU 45 HN GLU 45 12.314 -0.015 -4.791 217 HA GLU 45 HA GLU 45 11.437 -1.894 -6.705 218 HB2 GLU 45 HB2 GLU 45 11.495 -2.351 -4.284 219 HB3 GLU 45 HB1 GLU 45 10.210 -1.176 -4.034 220 HG2 GLU 45 HG2 GLU 45 9.279 -3.380 -3.981 221 HG3 GLU 45 HG1 GLU 45 8.724 -2.559 -5.439 222 H ALA 46 HN ALA 46 9.892 -1.755 -8.200 223 HA ALA 46 HA ALA 46 7.837 0.328 -7.900 224 HB1 ALA 46 HB1 ALA 46 9.199 -0.482 -10.467 225 HB2 ALA 46 HB2 ALA 46 9.517 0.998 -9.559 226 HB3 ALA 46 HB3 ALA 46 7.934 0.735 -10.293 227 H ASN 47 HN ASN 47 5.839 -0.399 -7.967 228 HA ASN 47 HA ASN 47 5.317 -3.001 -9.256 229 HB2 ASN 47 HB2 ASN 47 3.950 -1.754 -6.858 230 HB3 ASN 47 HB1 ASN 47 3.400 -3.216 -7.664 231 HD21 ASN 47 HD21 ASN 47 6.101 -4.211 -8.133 232 HD22 ASN 47 HD22 ASN 47 6.674 -4.764 -6.596 233 H LYS 48 HN LYS 48 3.011 -3.211 -9.993 234 HA LYS 48 HA LYS 48 2.237 -0.751 -11.380 235 HB2 LYS 48 HB2 LYS 48 1.789 -3.669 -11.893 236 HB3 LYS 48 HB1 LYS 48 0.717 -2.480 -12.615 237 HG2 LYS 48 HG2 LYS 48 3.699 -2.401 -12.948 238 HG3 LYS 48 HG1 LYS 48 2.622 -3.267 -14.046 239 HD2 LYS 48 HD2 LYS 48 1.377 -1.113 -14.370 240 HD3 LYS 48 HD1 LYS 48 2.656 -0.311 -13.457 241 HE2 LYS 48 HE2 LYS 48 4.295 -0.936 -15.090 242 HE3 LYS 48 HE1 LYS 48 3.127 -1.945 -15.944 243 HZ1 LYS 48 HZ1 LYS 48 1.831 0.109 -16.366 244 HZ2 LYS 48 HZ2 LYS 48 3.340 0.094 -17.122 245 HZ3 LYS 48 HZ3 LYS 48 3.104 1.014 -15.718 246 H ILE 49 HN ILE 49 0.297 0.215 -11.080 247 HA ILE 49 HA ILE 49 -1.733 -1.254 -9.552 248 HB ILE 49 HB ILE 49 -2.498 1.083 -8.753 249 HG12 ILE 49 HG12 ILE 49 0.434 1.640 -9.267 250 HG13 ILE 49 HG11 ILE 49 -0.907 2.364 -10.150 251 HG21 ILE 49 HG21 ILE 49 -0.067 -0.285 -7.624 252 HG22 ILE 49 HG22 ILE 49 -1.756 -0.638 -7.253 253 HG23 ILE 49 HG23 ILE 49 -1.047 0.901 -6.763 254 HD11 ILE 49 HD11 ILE 49 -1.679 3.437 -8.103 255 HD12 ILE 49 HD12 ILE 49 -0.016 3.886 -8.482 256 HD13 ILE 49 HD13 ILE 49 -0.344 2.703 -7.214 257 H ASP 50 HN ASP 50 -3.066 -1.822 -11.120 258 HA ASP 50 HA ASP 50 -4.062 0.241 -12.952 259 HB2 ASP 50 HB2 ASP 50 -3.466 -1.657 -14.203 260 HB3 ASP 50 HB1 ASP 50 -4.115 -2.768 -13.001 261 H SER 51 HN SER 51 -5.952 1.156 -12.584 262 HA SER 51 HA SER 51 -8.090 -0.296 -11.272 263 HB2 SER 51 HB2 SER 51 -7.011 2.279 -10.083 264 HB3 SER 51 HB1 SER 51 -8.438 1.401 -9.527 265 HG SER 51 HG SER 51 -6.296 -0.241 -9.663 266 H GLY 52 HN GLY 52 -10.146 1.045 -11.279 267 HA2 GLY 52 HA2 GLY 52 -10.511 2.080 -13.905 268 HA3 GLY 52 HA1 GLY 52 -11.706 2.082 -12.617 269 H LYS 53 HN LYS 53 -10.338 3.591 -10.720 270 HA LYS 53 HA LYS 53 -10.875 6.238 -11.575 271 HB2 LYS 53 HB2 LYS 53 -9.852 6.895 -9.401 272 HB3 LYS 53 HB1 LYS 53 -11.084 5.649 -9.241 273 HG2 LYS 53 HG2 LYS 53 -9.547 4.005 -8.722 274 HG3 LYS 53 HG1 LYS 53 -8.211 4.865 -9.485 275 HD2 LYS 53 HD2 LYS 53 -9.591 5.810 -6.975 276 HD3 LYS 53 HD1 LYS 53 -8.146 4.798 -6.975 277 HE2 LYS 53 HE2 LYS 53 -7.019 6.565 -8.352 278 HE3 LYS 53 HE1 LYS 53 -8.433 7.584 -8.089 279 HZ1 LYS 53 HZ1 LYS 53 -8.026 7.507 -5.718 280 HZ2 LYS 53 HZ2 LYS 53 -6.645 8.068 -6.521 281 HZ3 LYS 53 HZ3 LYS 53 -6.698 6.474 -5.943 282 H LEU 54 HN LEU 54 -8.100 4.284 -11.950 283 HA LEU 54 HA LEU 54 -6.326 6.633 -11.892 284 HB2 LEU 54 HB2 LEU 54 -6.211 4.541 -10.249 285 HB3 LEU 54 HB1 LEU 54 -5.256 3.889 -11.567 286 HG LEU 54 HG LEU 54 -3.762 5.869 -11.409 287 HD11 LEU 54 HD11 LEU 54 -3.913 7.282 -9.417 288 HD12 LEU 54 HD12 LEU 54 -5.407 6.466 -8.953 289 HD13 LEU 54 HD13 LEU 54 -5.351 7.431 -10.429 290 HD21 LEU 54 HD21 LEU 54 -4.093 4.281 -8.867 291 HD22 LEU 54 HD22 LEU 54 -2.640 5.150 -9.365 292 HD23 LEU 54 HD23 LEU 54 -3.205 3.763 -10.300 293 H GLY 55 HN GLY 55 -6.955 3.572 -13.559 294 HA2 GLY 55 HA2 GLY 55 -6.457 3.084 -15.807 295 HA3 GLY 55 HA1 GLY 55 -5.421 4.509 -15.866 296 H TYR 56 HN TYR 56 -3.408 3.862 -16.279 297 HA TYR 56 HA TYR 56 -2.333 1.643 -14.663 298 HB2 TYR 56 HB2 TYR 56 -1.791 2.511 -17.472 299 HB3 TYR 56 HB1 TYR 56 -0.475 1.795 -16.547 300 HD1 TYR 56 HD1 TYR 56 -3.792 1.175 -18.033 301 HD2 TYR 56 HD2 TYR 56 -0.467 -0.529 -15.998 302 HE1 TYR 56 HE1 TYR 56 -4.627 -1.079 -18.561 303 HE2 TYR 56 HE2 TYR 56 -1.291 -2.781 -16.522 304 HH TYR 56 HH TYR 56 -3.762 -3.364 -18.780 305 H SER 57 HN SER 57 -1.046 2.285 -13.079 306 HA SER 57 HA SER 57 0.760 4.534 -13.546 307 HB2 SER 57 HB2 SER 57 -1.131 4.306 -11.196 308 HB3 SER 57 HB1 SER 57 0.180 5.484 -11.316 309 HG SER 57 HG SER 57 -1.417 5.442 -13.531 310 H ILE 58 HN ILE 58 2.154 4.769 -11.392 311 HA ILE 58 HA ILE 58 3.212 2.074 -10.874 312 HB ILE 58 HB ILE 58 4.688 4.695 -10.537 313 HG12 ILE 58 HG12 ILE 58 4.023 4.381 -12.897 314 HG13 ILE 58 HG11 ILE 58 5.763 4.259 -12.675 315 HG21 ILE 58 HG21 ILE 58 5.603 2.848 -9.260 316 HG22 ILE 58 HG22 ILE 58 6.684 3.269 -10.588 317 HG23 ILE 58 HG23 ILE 58 5.654 1.842 -10.707 318 HD11 ILE 58 HD11 ILE 58 5.583 1.815 -12.767 319 HD12 ILE 58 HD12 ILE 58 4.974 2.583 -14.232 320 HD13 ILE 58 HD13 ILE 58 3.846 1.965 -13.026 321 H THR 59 HN THR 59 3.583 1.421 -8.788 322 HA THR 59 HA THR 59 3.370 3.433 -6.670 323 HB THR 59 HB THR 59 1.245 1.950 -6.912 324 HG1 THR 59 HG1 THR 59 1.438 3.165 -5.091 325 HG21 THR 59 HG21 THR 59 2.357 -0.202 -7.146 326 HG22 THR 59 HG22 THR 59 1.362 -0.179 -5.689 327 HG23 THR 59 HG23 THR 59 3.113 -0.002 -5.564 328 H VAL 60 HN VAL 60 4.507 2.651 -4.664 329 HA VAL 60 HA VAL 60 6.680 0.810 -5.358 330 HB VAL 60 HB VAL 60 8.355 2.359 -4.434 331 HG11 VAL 60 HG11 VAL 60 8.018 2.320 -6.840 332 HG12 VAL 60 HG12 VAL 60 8.417 3.951 -6.300 333 HG13 VAL 60 HG13 VAL 60 6.750 3.537 -6.699 334 HG21 VAL 60 HG21 VAL 60 6.089 4.343 -4.353 335 HG22 VAL 60 HG22 VAL 60 7.788 4.704 -4.046 336 HG23 VAL 60 HG23 VAL 60 6.903 3.636 -2.958 337 H ALA 61 HN ALA 61 8.132 0.486 -3.359 338 HA ALA 61 HA ALA 61 6.754 -0.648 -1.259 339 HB1 ALA 61 HB1 ALA 61 9.117 -1.073 -1.701 340 HB2 ALA 61 HB2 ALA 61 8.864 -0.598 -0.022 341 HB3 ALA 61 HB3 ALA 61 9.519 0.562 -1.179 342 H GLU 62 HN GLU 62 6.156 -0.003 0.777 343 HA GLU 62 HA GLU 62 4.922 2.466 0.956 344 HB2 GLU 62 HB2 GLU 62 5.734 0.761 3.310 345 HB3 GLU 62 HB1 GLU 62 4.414 1.920 3.244 346 HG2 GLU 62 HG2 GLU 62 3.286 0.551 1.575 347 HG3 GLU 62 HG1 GLU 62 4.610 -0.610 1.629 348 HA PRO 63 HA PRO 63 8.460 4.124 3.824 349 HB2 PRO 63 HB2 PRO 63 10.796 2.493 3.080 350 HB3 PRO 63 HB1 PRO 63 10.218 2.964 4.681 351 HG2 PRO 63 HG2 PRO 63 10.013 0.442 3.800 352 HG3 PRO 63 HG1 PRO 63 8.772 1.174 4.833 353 HD2 PRO 63 HD2 PRO 63 8.757 0.742 1.869 354 HD3 PRO 63 HD1 PRO 63 7.453 0.501 3.048 355 H ASP 64 HN ASP 64 8.967 2.923 0.607 356 HA ASP 64 HA ASP 64 10.885 5.045 -0.017 357 HB2 ASP 64 HB2 ASP 64 10.018 2.585 -1.537 358 HB3 ASP 64 HB1 ASP 64 11.038 3.830 -2.244 359 H PHE 65 HN PHE 65 7.651 4.919 0.106 360 HA PHE 65 HA PHE 65 6.834 5.657 -2.485 361 HB2 PHE 65 HB2 PHE 65 5.271 4.856 -0.738 362 HB3 PHE 65 HB1 PHE 65 5.481 6.381 0.120 363 HD1 PHE 65 HD2 PHE 65 4.543 5.093 -3.246 364 HD2 PHE 65 HD1 PHE 65 3.981 8.089 -0.279 365 HE1 PHE 65 HE2 PHE 65 2.766 6.106 -4.614 366 HE2 PHE 65 HE1 PHE 65 2.206 9.110 -1.643 367 HZ PHE 65 HZ PHE 65 1.597 8.122 -3.813 368 H THR 66 HN THR 66 7.995 7.550 0.234 369 HA THR 66 HA THR 66 7.429 10.094 -0.806 370 HB THR 66 HB THR 66 8.089 9.753 1.526 371 HG1 THR 66 HG1 THR 66 8.424 11.820 0.624 372 HG21 THR 66 HG21 THR 66 10.438 9.376 2.126 373 HG22 THR 66 HG22 THR 66 10.838 9.172 0.420 374 HG23 THR 66 HG23 THR 66 9.774 8.015 1.220 375 H ALA 67 HN ALA 67 9.893 7.779 -1.597 376 HA ALA 67 HA ALA 67 11.605 9.643 -2.953 377 HB1 ALA 67 HB1 ALA 67 11.552 6.633 -3.115 378 HB2 ALA 67 HB2 ALA 67 12.491 7.582 -1.961 379 HB3 ALA 67 HB3 ALA 67 12.844 7.689 -3.687 380 H ALA 68 HN ALA 68 9.080 7.351 -3.866 381 HA ALA 68 HA ALA 68 9.249 7.468 -6.639 382 HB1 ALA 68 HB1 ALA 68 6.869 6.912 -6.656 383 HB2 ALA 68 HB2 ALA 68 6.762 7.321 -4.944 384 HB3 ALA 68 HB3 ALA 68 7.749 5.956 -5.463 385 H VAL 69 HN VAL 69 7.501 9.606 -4.417 386 HA VAL 69 HA VAL 69 6.405 11.327 -6.342 387 HB VAL 69 HB VAL 69 7.231 12.053 -3.524 388 HG11 VAL 69 HG11 VAL 69 5.473 13.742 -3.680 389 HG12 VAL 69 HG12 VAL 69 5.159 13.265 -5.350 390 HG13 VAL 69 HG13 VAL 69 6.710 13.985 -4.914 391 HG21 VAL 69 HG21 VAL 69 4.621 10.909 -4.518 392 HG22 VAL 69 HG22 VAL 69 4.949 11.461 -2.876 393 HG23 VAL 69 HG23 VAL 69 5.814 10.069 -3.526 394 H TYR 70 HN TYR 70 9.503 11.323 -4.691 395 HA TYR 70 HA TYR 70 10.458 13.838 -5.488 396 HB2 TYR 70 HB2 TYR 70 11.391 12.145 -3.766 397 HB3 TYR 70 HB1 TYR 70 12.201 11.404 -5.136 398 HD1 TYR 70 HD1 TYR 70 13.442 13.371 -6.664 399 HD2 TYR 70 HD2 TYR 70 12.711 13.464 -2.475 400 HE1 TYR 70 HE1 TYR 70 15.319 14.934 -6.373 401 HE2 TYR 70 HE2 TYR 70 14.577 15.029 -2.176 402 HH TYR 70 HH TYR 70 16.047 16.668 -4.714 403 H TRP 71 HN TRP 71 10.789 10.623 -6.960 404 HA TRP 71 HA TRP 71 12.443 11.468 -9.097 405 HB2 TRP 71 HB2 TRP 71 10.655 9.027 -9.036 406 HB3 TRP 71 HB1 TRP 71 12.076 9.271 -10.044 407 HD1 TRP 71 HD1 TRP 71 11.539 6.914 -7.763 408 HE1 TRP 71 HE1 TRP 71 13.377 6.542 -5.996 409 HE3 TRP 71 HE3 TRP 71 13.992 11.388 -8.177 410 HZ2 TRP 71 HZ2 TRP 71 15.559 7.959 -4.921 411 HZ3 TRP 71 HZ3 TRP 71 15.943 11.794 -6.740 412 HH2 TRP 71 HH2 TRP 71 16.709 10.115 -5.147 413 H ILE 72 HN ILE 72 8.950 11.089 -8.765 414 HA ILE 72 HA ILE 72 8.391 11.621 -11.513 415 HB ILE 72 HB ILE 72 6.552 11.874 -9.128 416 HG12 ILE 72 HG12 ILE 72 7.423 9.623 -9.310 417 HG13 ILE 72 HG11 ILE 72 5.747 9.638 -9.847 418 HG21 ILE 72 HG21 ILE 72 5.701 13.094 -11.048 419 HG22 ILE 72 HG22 ILE 72 4.746 11.636 -10.777 420 HG23 ILE 72 HG23 ILE 72 5.941 11.678 -12.073 421 HD11 ILE 72 HD11 ILE 72 8.163 9.636 -11.639 422 HD12 ILE 72 HD12 ILE 72 6.479 9.623 -12.168 423 HD13 ILE 72 HD13 ILE 72 7.136 8.250 -11.277 424 H LYS 73 HN LYS 73 8.801 13.583 -8.653 425 HA LYS 73 HA LYS 73 7.825 16.017 -9.710 426 HB2 LYS 73 HB2 LYS 73 8.264 15.586 -7.300 427 HB3 LYS 73 HB1 LYS 73 9.988 15.593 -7.638 428 HG2 LYS 73 HG2 LYS 73 9.876 17.915 -8.319 429 HG3 LYS 73 HG1 LYS 73 8.129 17.922 -8.066 430 HD2 LYS 73 HD2 LYS 73 10.213 17.431 -5.938 431 HD3 LYS 73 HD1 LYS 73 9.335 18.941 -6.185 432 HE2 LYS 73 HE2 LYS 73 8.103 16.278 -5.480 433 HE3 LYS 73 HE1 LYS 73 8.374 17.615 -4.363 434 HZ1 LYS 73 HZ1 LYS 73 6.602 17.677 -6.750 435 HZ2 LYS 73 HZ2 LYS 73 6.872 18.973 -5.691 436 HZ3 LYS 73 HZ3 LYS 73 6.094 17.573 -5.135 437 H THR 74 HN THR 74 10.727 14.225 -10.165 438 HA THR 74 HA THR 74 12.294 16.380 -11.241 439 HB THR 74 HB THR 74 12.768 13.403 -11.540 440 HG1 THR 74 HG1 THR 74 12.542 14.181 -9.297 441 HG21 THR 74 HG21 THR 74 15.125 14.071 -11.735 442 HG22 THR 74 HG22 THR 74 14.649 15.765 -11.612 443 HG23 THR 74 HG23 THR 74 14.141 14.805 -13.001 444 H TYR 75 HN TYR 75 9.952 14.123 -12.418 445 HA TYR 75 HA TYR 75 10.634 14.333 -15.194 446 HB2 TYR 75 HB2 TYR 75 9.398 12.388 -14.341 447 HB3 TYR 75 HB1 TYR 75 8.067 13.432 -13.853 448 HD1 TYR 75 HD1 TYR 75 9.780 11.872 -16.701 449 HD2 TYR 75 HD2 TYR 75 6.507 14.305 -15.488 450 HE1 TYR 75 HE1 TYR 75 8.746 11.576 -18.912 451 HE2 TYR 75 HE2 TYR 75 5.469 14.017 -17.697 452 HH TYR 75 HH TYR 75 6.196 13.487 -20.012 453 H GLN 76 HN GLN 76 10.251 16.018 -16.463 454 HA GLN 76 HA GLN 76 8.258 17.991 -15.589 455 HB2 GLN 76 HB2 GLN 76 10.701 18.320 -17.333 456 HB3 GLN 76 HB1 GLN 76 9.502 19.581 -17.071 457 HG2 GLN 76 HG2 GLN 76 11.181 18.285 -14.933 458 HG3 GLN 76 HG1 GLN 76 11.473 19.867 -15.656 459 HE21 GLN 76 HE21 GLN 76 9.477 18.026 -13.489 460 HE22 GLN 76 HE22 GLN 76 8.652 19.369 -12.780 Start of MODEL 17 1 H1 LYS 19 HT1 LYS 19 2.238 -2.113 1.116 2 H2 LYS 19 HT2 LYS 19 0.578 -1.799 1.252 3 H3 LYS 19 HT3 LYS 19 1.696 -0.539 1.452 4 HA LYS 19 HA LYS 19 2.343 -0.636 -0.819 5 HB2 LYS 19 HB2 LYS 19 1.846 -3.208 -0.829 6 HB3 LYS 19 HB1 LYS 19 0.232 -2.719 -1.323 7 HG2 LYS 19 HG2 LYS 19 1.189 -1.561 -3.265 8 HG3 LYS 19 HG1 LYS 19 2.796 -2.100 -2.779 9 HD2 LYS 19 HD2 LYS 19 0.476 -3.885 -3.529 10 HD3 LYS 19 HD1 LYS 19 1.870 -3.520 -4.547 11 HE2 LYS 19 HE2 LYS 19 3.337 -4.539 -2.837 12 HE3 LYS 19 HE1 LYS 19 1.907 -4.967 -1.899 13 HZ1 LYS 19 HZ1 LYS 19 1.149 -6.255 -3.881 14 HZ2 LYS 19 HZ2 LYS 19 2.547 -6.862 -3.147 15 HZ3 LYS 19 HZ3 LYS 19 2.668 -5.982 -4.587 16 H ASP 20 HN ASP 20 0.478 -0.434 -2.783 17 HA ASP 20 HA ASP 20 -1.216 0.807 -3.604 18 HB2 ASP 20 HB2 ASP 20 -2.676 -0.656 -2.293 19 HB3 ASP 20 HB1 ASP 20 -2.471 0.377 -0.883 20 H LYS 21 HN LYS 21 0.235 2.570 -3.723 21 HA LYS 21 HA LYS 21 -0.621 4.769 -1.970 22 HB2 LYS 21 HB2 LYS 21 2.130 4.245 -3.111 23 HB3 LYS 21 HB1 LYS 21 1.650 5.791 -2.426 24 HG2 LYS 21 HG2 LYS 21 1.660 3.169 -0.937 25 HG3 LYS 21 HG1 LYS 21 2.922 4.401 -0.843 26 HD2 LYS 21 HD2 LYS 21 1.359 5.992 0.083 27 HD3 LYS 21 HD1 LYS 21 0.023 4.863 -0.140 28 HE2 LYS 21 HE2 LYS 21 0.673 4.854 2.173 29 HE3 LYS 21 HE1 LYS 21 1.128 3.315 1.447 30 HZ1 LYS 21 HZ1 LYS 21 2.982 5.596 1.910 31 HZ2 LYS 21 HZ2 LYS 21 3.399 4.073 1.300 32 HZ3 LYS 21 HZ3 LYS 21 2.861 4.221 2.895 33 H ASP 22 HN ASP 22 -1.801 6.157 -3.062 34 HA ASP 22 HA ASP 22 -2.093 6.112 -5.876 35 HB2 ASP 22 HB2 ASP 22 -3.846 6.837 -4.234 36 HB3 ASP 22 HB1 ASP 22 -2.914 8.302 -3.950 37 H LEU 23 HN LEU 23 -0.434 6.658 -7.151 38 HA LEU 23 HA LEU 23 1.206 8.992 -6.450 39 HB2 LEU 23 HB2 LEU 23 2.328 6.789 -6.926 40 HB3 LEU 23 HB1 LEU 23 1.715 6.890 -8.561 41 HG LEU 23 HG LEU 23 3.013 8.981 -8.892 42 HD11 LEU 23 HD11 LEU 23 3.170 9.730 -6.593 43 HD12 LEU 23 HD12 LEU 23 4.785 9.525 -7.274 44 HD13 LEU 23 HD13 LEU 23 4.132 8.313 -6.173 45 HD21 LEU 23 HD21 LEU 23 3.906 6.833 -9.623 46 HD22 LEU 23 HD22 LEU 23 4.618 6.575 -8.030 47 HD23 LEU 23 HD23 LEU 23 5.198 7.890 -9.052 48 H LEU 24 HN LEU 24 -0.160 7.495 -9.376 49 HA LEU 24 HA LEU 24 -0.316 10.178 -10.576 50 HB2 LEU 24 HB2 LEU 24 -0.040 7.496 -11.947 51 HB3 LEU 24 HB1 LEU 24 -0.095 9.057 -12.746 52 HG LEU 24 HG LEU 24 2.062 8.327 -10.775 53 HD11 LEU 24 HD11 LEU 24 3.472 7.779 -12.665 54 HD12 LEU 24 HD12 LEU 24 2.129 8.059 -13.771 55 HD13 LEU 24 HD13 LEU 24 2.060 6.722 -12.625 56 HD21 LEU 24 HD21 LEU 24 3.282 10.135 -11.881 57 HD22 LEU 24 HD22 LEU 24 1.757 10.715 -11.210 58 HD23 LEU 24 HD23 LEU 24 1.904 10.421 -12.943 59 H LYS 25 HN LYS 25 -2.102 10.391 -12.224 60 HA LYS 25 HA LYS 25 -4.438 8.775 -11.489 61 HB2 LYS 25 HB2 LYS 25 -4.554 11.780 -11.806 62 HB3 LYS 25 HB1 LYS 25 -5.854 10.715 -11.300 63 HG2 LYS 25 HG2 LYS 25 -5.242 11.579 -9.283 64 HG3 LYS 25 HG1 LYS 25 -4.186 10.166 -9.330 65 HD2 LYS 25 HD2 LYS 25 -2.347 11.539 -10.133 66 HD3 LYS 25 HD1 LYS 25 -3.400 12.952 -10.185 67 HE2 LYS 25 HE2 LYS 25 -2.111 13.127 -8.201 68 HE3 LYS 25 HE1 LYS 25 -3.741 12.669 -7.715 69 HZ1 LYS 25 HZ1 LYS 25 -1.947 11.441 -6.555 70 HZ2 LYS 25 HZ2 LYS 25 -1.505 10.742 -8.031 71 HZ3 LYS 25 HZ3 LYS 25 -3.035 10.428 -7.368 72 H GLY 26 HN GLY 26 -5.404 7.971 -13.221 73 HA2 GLY 26 HA2 GLY 26 -6.187 7.695 -15.350 74 HA3 GLY 26 HA1 GLY 26 -6.202 9.446 -15.451 75 H LEU 27 HN LEU 27 -3.753 6.841 -15.429 76 HA LEU 27 HA LEU 27 -2.508 8.202 -17.730 77 HB2 LEU 27 HB2 LEU 27 -1.299 8.381 -15.482 78 HB3 LEU 27 HB1 LEU 27 -0.980 6.664 -15.641 79 HG LEU 27 HG LEU 27 0.203 7.126 -17.783 80 HD11 LEU 27 HD11 LEU 27 -0.208 10.001 -16.970 81 HD12 LEU 27 HD12 LEU 27 -0.898 9.203 -18.384 82 HD13 LEU 27 HD13 LEU 27 0.846 9.445 -18.271 83 HD21 LEU 27 HD21 LEU 27 1.229 8.600 -15.360 84 HD22 LEU 27 HD22 LEU 27 2.198 8.099 -16.745 85 HD23 LEU 27 HD23 LEU 27 1.450 6.884 -15.708 86 H ASP 28 HN ASP 28 -1.552 6.868 -19.309 87 HA ASP 28 HA ASP 28 -2.689 4.213 -19.488 88 HB2 ASP 28 HB2 ASP 28 -0.997 5.829 -21.396 89 HB3 ASP 28 HB1 ASP 28 -1.547 4.193 -21.738 90 H GLN 29 HN GLN 29 -1.104 2.524 -20.539 91 HA GLN 29 HA GLN 29 0.774 1.967 -18.451 92 HB2 GLN 29 HB2 GLN 29 -0.558 0.175 -19.441 93 HB3 GLN 29 HB1 GLN 29 0.186 0.467 -21.008 94 HG2 GLN 29 HG2 GLN 29 2.305 -0.283 -20.224 95 HG3 GLN 29 HG1 GLN 29 1.725 -0.349 -18.560 96 HE21 GLN 29 HE21 GLN 29 1.644 -1.871 -21.688 97 HE22 GLN 29 HE22 GLN 29 0.992 -3.385 -21.151 98 H GLU 30 HN GLU 30 1.002 2.792 -21.887 99 HA GLU 30 HA GLU 30 3.816 2.580 -22.046 100 HB2 GLU 30 HB2 GLU 30 3.455 4.277 -24.005 101 HB3 GLU 30 HB1 GLU 30 2.870 2.628 -24.144 102 HG2 GLU 30 HG2 GLU 30 1.055 4.761 -23.119 103 HG3 GLU 30 HG1 GLU 30 1.362 4.618 -24.849 104 H GLN 31 HN GLN 31 1.710 5.116 -20.915 105 HA GLN 31 HA GLN 31 3.831 7.057 -20.723 106 HB2 GLN 31 HB2 GLN 31 0.959 6.972 -19.899 107 HB3 GLN 31 HB1 GLN 31 2.017 8.170 -19.173 108 HG2 GLN 31 HG2 GLN 31 0.834 9.109 -21.056 109 HG3 GLN 31 HG1 GLN 31 2.562 9.040 -21.386 110 HE21 GLN 31 HE21 GLN 31 3.322 7.675 -22.983 111 HE22 GLN 31 HE22 GLN 31 2.272 6.932 -24.141 112 H ALA 32 HN ALA 32 2.200 4.786 -18.577 113 HA ALA 32 HA ALA 32 3.466 5.543 -16.183 114 HB1 ALA 32 HB1 ALA 32 2.495 2.807 -17.007 115 HB2 ALA 32 HB2 ALA 32 1.526 4.058 -16.228 116 HB3 ALA 32 HB3 ALA 32 2.873 3.318 -15.362 117 H ASN 33 HN ASN 33 4.501 3.623 -18.890 118 HA ASN 33 HA ASN 33 6.746 2.355 -17.830 119 HB2 ASN 33 HB2 ASN 33 5.929 1.832 -20.055 120 HB3 ASN 33 HB1 ASN 33 6.283 3.465 -20.608 121 HD21 ASN 33 HD21 ASN 33 8.400 4.037 -21.098 122 HD22 ASN 33 HD22 ASN 33 9.665 2.862 -21.218 123 H GLU 34 HN GLU 34 6.360 5.617 -19.123 124 HA GLU 34 HA GLU 34 9.100 6.327 -19.019 125 HB2 GLU 34 HB2 GLU 34 6.678 8.132 -18.897 126 HB3 GLU 34 HB1 GLU 34 8.316 8.620 -19.308 127 HG2 GLU 34 HG2 GLU 34 6.542 6.774 -20.890 128 HG3 GLU 34 HG1 GLU 34 6.986 8.429 -21.306 129 H VAL 35 HN VAL 35 6.472 6.464 -16.740 130 HA VAL 35 HA VAL 35 7.874 8.021 -14.798 131 HB VAL 35 HB VAL 35 5.345 6.382 -14.622 132 HG11 VAL 35 HG11 VAL 35 6.531 8.230 -12.553 133 HG12 VAL 35 HG12 VAL 35 6.423 6.475 -12.428 134 HG13 VAL 35 HG13 VAL 35 4.952 7.448 -12.463 135 HG21 VAL 35 HG21 VAL 35 5.230 8.378 -16.033 136 HG22 VAL 35 HG22 VAL 35 5.822 9.363 -14.694 137 HG23 VAL 35 HG23 VAL 35 4.253 8.563 -14.577 138 H ILE 36 HN ILE 36 7.021 4.546 -15.055 139 HA ILE 36 HA ILE 36 8.287 3.797 -12.647 140 HB ILE 36 HB ILE 36 6.649 2.365 -13.887 141 HG12 ILE 36 HG12 ILE 36 9.291 1.038 -13.245 142 HG13 ILE 36 HG11 ILE 36 8.068 1.490 -12.062 143 HG21 ILE 36 HG21 ILE 36 7.527 2.603 -16.135 144 HG22 ILE 36 HG22 ILE 36 7.478 0.903 -15.668 145 HG23 ILE 36 HG23 ILE 36 9.011 1.774 -15.660 146 HD11 ILE 36 HD11 ILE 36 7.718 -0.516 -14.276 147 HD12 ILE 36 HD12 ILE 36 6.502 -0.072 -13.079 148 HD13 ILE 36 HD13 ILE 36 7.983 -0.884 -12.572 149 H ALA 37 HN ALA 37 9.514 4.513 -15.787 150 HA ALA 37 HA ALA 37 11.964 3.185 -15.735 151 HB1 ALA 37 HB1 ALA 37 11.336 5.870 -16.954 152 HB2 ALA 37 HB2 ALA 37 11.096 4.300 -17.723 153 HB3 ALA 37 HB3 ALA 37 12.726 4.855 -17.343 154 H VAL 38 HN VAL 38 11.057 6.355 -14.368 155 HA VAL 38 HA VAL 38 13.741 6.954 -13.578 156 HB VAL 38 HB VAL 38 11.970 8.706 -13.990 157 HG11 VAL 38 HG11 VAL 38 10.509 9.331 -12.130 158 HG12 VAL 38 HG12 VAL 38 11.018 7.888 -11.253 159 HG13 VAL 38 HG13 VAL 38 10.125 7.732 -12.766 160 HG21 VAL 38 HG21 VAL 38 12.778 10.199 -12.208 161 HG22 VAL 38 HG22 VAL 38 14.079 9.268 -12.949 162 HG23 VAL 38 HG23 VAL 38 13.453 8.803 -11.367 163 H LEU 39 HN LEU 39 11.009 5.375 -12.063 164 HA LEU 39 HA LEU 39 12.143 5.271 -9.446 165 HB2 LEU 39 HB2 LEU 39 9.949 3.726 -10.803 166 HB3 LEU 39 HB1 LEU 39 10.505 3.291 -9.201 167 HG LEU 39 HG LEU 39 8.567 4.593 -8.892 168 HD11 LEU 39 HD11 LEU 39 9.364 6.569 -7.700 169 HD12 LEU 39 HD12 LEU 39 10.943 6.388 -8.465 170 HD13 LEU 39 HD13 LEU 39 10.353 5.149 -7.358 171 HD21 LEU 39 HD21 LEU 39 8.389 5.575 -11.100 172 HD22 LEU 39 HD22 LEU 39 9.751 6.642 -10.756 173 HD23 LEU 39 HD23 LEU 39 8.244 6.817 -9.856 174 H GLN 40 HN GLN 40 11.864 2.889 -12.060 175 HA GLN 40 HA GLN 40 13.263 0.826 -10.750 176 HB2 GLN 40 HB2 GLN 40 11.724 0.624 -12.745 177 HB3 GLN 40 HB1 GLN 40 13.044 1.229 -13.733 178 HG2 GLN 40 HG2 GLN 40 14.392 -0.681 -13.208 179 HG3 GLN 40 HG1 GLN 40 13.197 -1.257 -12.046 180 HE21 GLN 40 HE21 GLN 40 14.277 -2.592 -14.400 181 HE22 GLN 40 HE22 GLN 40 12.914 -2.962 -15.412 182 H MET 41 HN MET 41 14.315 3.537 -12.682 183 HA MET 41 HA MET 41 16.936 2.768 -13.267 184 HB2 MET 41 HB2 MET 41 15.842 4.771 -14.202 185 HB3 MET 41 HB1 MET 41 15.909 5.539 -12.622 186 HG2 MET 41 HG2 MET 41 17.673 6.401 -13.983 187 HG3 MET 41 HG1 MET 41 18.375 5.407 -12.708 188 HE1 MET 41 HE1 MET 41 16.557 4.273 -15.987 189 HE2 MET 41 HE2 MET 41 17.913 4.021 -17.086 190 HE3 MET 41 HE3 MET 41 17.513 5.650 -16.542 191 H HIS 42 HN HIS 42 15.562 4.198 -10.345 192 HA HIS 42 HA HIS 42 18.202 4.314 -9.107 193 HB2 HIS 42 HB2 HIS 42 15.490 5.328 -8.277 194 HB3 HIS 42 HB1 HIS 42 16.850 5.294 -7.158 195 HD1 HIS 42 HD1 HIS 42 18.465 7.196 -7.266 196 HD2 HIS 42 HD2 HIS 42 15.957 7.047 -10.585 197 HE1 HIS 42 HE1 HIS 42 18.958 9.277 -8.584 198 HE2 HIS 42 HE2 HIS 42 17.596 9.054 -10.692 199 H ASN 43 HN ASN 43 16.196 1.948 -9.685 200 HA ASN 43 HA ASN 43 15.927 -0.148 -8.888 201 HB2 ASN 43 HB2 ASN 43 18.431 0.096 -8.707 202 HB3 ASN 43 HB1 ASN 43 18.204 0.487 -7.006 203 HD21 ASN 43 HD21 ASN 43 16.252 -1.854 -8.728 204 HD22 ASN 43 HD22 ASN 43 16.837 -3.247 -7.879 205 H ILE 44 HN ILE 44 14.421 2.014 -7.625 206 HA ILE 44 HA ILE 44 14.083 1.120 -4.885 207 HB ILE 44 HB ILE 44 13.739 3.513 -5.472 208 HG12 ILE 44 HG12 ILE 44 11.277 2.094 -4.428 209 HG13 ILE 44 HG11 ILE 44 12.675 2.575 -3.473 210 HG21 ILE 44 HG21 ILE 44 12.753 3.198 -7.680 211 HG22 ILE 44 HG22 ILE 44 11.728 4.203 -6.657 212 HG23 ILE 44 HG23 ILE 44 11.306 2.514 -6.940 213 HD11 ILE 44 HD11 ILE 44 12.184 4.908 -3.891 214 HD12 ILE 44 HD12 ILE 44 10.788 4.094 -3.184 215 HD13 ILE 44 HD13 ILE 44 10.818 4.455 -4.910 216 H GLU 45 HN GLU 45 12.176 0.071 -4.119 217 HA GLU 45 HA GLU 45 11.250 -1.961 -5.859 218 HB2 GLU 45 HB2 GLU 45 10.293 -1.125 -3.120 219 HB3 GLU 45 HB1 GLU 45 9.730 -2.560 -3.968 220 HG2 GLU 45 HG2 GLU 45 12.548 -1.989 -3.089 221 HG3 GLU 45 HG1 GLU 45 11.432 -3.146 -2.363 222 H ALA 46 HN ALA 46 10.178 -1.229 -7.585 223 HA ALA 46 HA ALA 46 7.819 0.455 -7.195 224 HB1 ALA 46 HB1 ALA 46 7.861 0.789 -9.597 225 HB2 ALA 46 HB2 ALA 46 9.157 -0.394 -9.764 226 HB3 ALA 46 HB3 ALA 46 9.454 1.126 -8.920 227 H ASN 47 HN ASN 47 5.876 -0.401 -7.160 228 HA ASN 47 HA ASN 47 5.472 -3.095 -8.294 229 HB2 ASN 47 HB2 ASN 47 4.256 -1.741 -5.889 230 HB3 ASN 47 HB1 ASN 47 3.456 -3.100 -6.668 231 HD21 ASN 47 HD21 ASN 47 6.933 -2.896 -6.485 232 HD22 ASN 47 HD22 ASN 47 7.141 -4.162 -5.328 233 H LYS 48 HN LYS 48 3.382 -3.463 -9.301 234 HA LYS 48 HA LYS 48 2.506 -1.048 -10.713 235 HB2 LYS 48 HB2 LYS 48 3.336 -3.134 -11.915 236 HB3 LYS 48 HB1 LYS 48 1.856 -3.918 -11.384 237 HG2 LYS 48 HG2 LYS 48 0.532 -2.276 -12.610 238 HG3 LYS 48 HG1 LYS 48 2.015 -1.470 -13.133 239 HD2 LYS 48 HD2 LYS 48 2.711 -3.636 -14.186 240 HD3 LYS 48 HD1 LYS 48 1.106 -4.263 -13.809 241 HE2 LYS 48 HE2 LYS 48 0.090 -2.515 -15.170 242 HE3 LYS 48 HE1 LYS 48 1.685 -1.851 -15.526 243 HZ1 LYS 48 HZ1 LYS 48 1.017 -3.192 -17.357 244 HZ2 LYS 48 HZ2 LYS 48 0.610 -4.493 -16.357 245 HZ3 LYS 48 HZ3 LYS 48 2.238 -4.044 -16.543 246 H ILE 49 HN ILE 49 0.444 -0.276 -10.604 247 HA ILE 49 HA ILE 49 -1.544 -1.892 -9.152 248 HB ILE 49 HB ILE 49 -2.478 0.318 -8.284 249 HG12 ILE 49 HG12 ILE 49 0.341 1.228 -8.908 250 HG13 ILE 49 HG11 ILE 49 -1.120 1.808 -9.698 251 HG21 ILE 49 HG21 ILE 49 -0.998 0.295 -6.326 252 HG22 ILE 49 HG22 ILE 49 0.147 -0.705 -7.221 253 HG23 ILE 49 HG23 ILE 49 -1.458 -1.329 -6.839 254 HD11 ILE 49 HD11 ILE 49 -0.430 2.157 -6.791 255 HD12 ILE 49 HD12 ILE 49 -1.891 2.745 -7.583 256 HD13 ILE 49 HD13 ILE 49 -0.317 3.392 -8.045 257 H ASP 50 HN ASP 50 -3.426 -2.105 -10.122 258 HA ASP 50 HA ASP 50 -4.035 -0.359 -12.423 259 HB2 ASP 50 HB2 ASP 50 -3.759 -2.884 -12.761 260 HB3 ASP 50 HB1 ASP 50 -5.254 -3.065 -11.853 261 H SER 51 HN SER 51 -5.747 0.981 -12.238 262 HA SER 51 HA SER 51 -8.068 0.184 -10.700 263 HB2 SER 51 HB2 SER 51 -6.613 2.747 -10.010 264 HB3 SER 51 HB1 SER 51 -8.134 2.201 -9.313 265 HG SER 51 HG SER 51 -6.376 0.241 -9.020 266 H GLY 52 HN GLY 52 -9.857 1.879 -10.971 267 HA2 GLY 52 HA2 GLY 52 -10.061 2.363 -13.787 268 HA3 GLY 52 HA1 GLY 52 -11.272 2.740 -12.575 269 H LYS 53 HN LYS 53 -9.991 4.538 -10.962 270 HA LYS 53 HA LYS 53 -10.143 6.900 -12.608 271 HB2 LYS 53 HB2 LYS 53 -10.036 8.134 -10.569 272 HB3 LYS 53 HB1 LYS 53 -10.986 6.696 -10.218 273 HG2 LYS 53 HG2 LYS 53 -9.057 5.644 -9.184 274 HG3 LYS 53 HG1 LYS 53 -8.060 7.043 -9.581 275 HD2 LYS 53 HD2 LYS 53 -9.645 8.421 -8.196 276 HD3 LYS 53 HD1 LYS 53 -10.378 6.905 -7.663 277 HE2 LYS 53 HE2 LYS 53 -8.741 7.655 -6.038 278 HE3 LYS 53 HE1 LYS 53 -8.187 6.171 -6.813 279 HZ1 LYS 53 HZ1 LYS 53 -7.289 8.928 -7.475 280 HZ2 LYS 53 HZ2 LYS 53 -6.779 7.525 -8.264 281 HZ3 LYS 53 HZ3 LYS 53 -6.379 7.762 -6.639 282 H LEU 54 HN LEU 54 -7.696 4.805 -11.691 283 HA LEU 54 HA LEU 54 -5.601 6.848 -11.779 284 HB2 LEU 54 HB2 LEU 54 -5.589 5.577 -9.770 285 HB3 LEU 54 HB1 LEU 54 -5.735 4.073 -10.644 286 HG LEU 54 HG LEU 54 -3.290 5.609 -11.224 287 HD11 LEU 54 HD11 LEU 54 -3.524 6.035 -8.830 288 HD12 LEU 54 HD12 LEU 54 -2.206 4.908 -9.147 289 HD13 LEU 54 HD13 LEU 54 -3.750 4.310 -8.539 290 HD21 LEU 54 HD21 LEU 54 -3.879 2.731 -10.524 291 HD22 LEU 54 HD22 LEU 54 -2.320 3.362 -11.053 292 HD23 LEU 54 HD23 LEU 54 -3.701 3.392 -12.150 293 H GLY 55 HN GLY 55 -6.751 3.937 -13.334 294 HA2 GLY 55 HA2 GLY 55 -6.207 3.035 -15.384 295 HA3 GLY 55 HA1 GLY 55 -5.134 4.405 -15.653 296 H TYR 56 HN TYR 56 -3.094 3.865 -15.868 297 HA TYR 56 HA TYR 56 -2.057 1.621 -14.262 298 HB2 TYR 56 HB2 TYR 56 -1.099 2.681 -16.936 299 HB3 TYR 56 HB1 TYR 56 -0.269 1.443 -16.000 300 HD1 TYR 56 HD1 TYR 56 -3.231 2.190 -18.043 301 HD2 TYR 56 HD2 TYR 56 -1.110 -0.811 -15.901 302 HE1 TYR 56 HE1 TYR 56 -4.607 0.458 -19.117 303 HE2 TYR 56 HE2 TYR 56 -2.480 -2.551 -16.968 304 HH TYR 56 HH TYR 56 -4.539 -1.899 -19.632 305 H SER 57 HN SER 57 -0.804 2.259 -12.643 306 HA SER 57 HA SER 57 1.036 4.473 -13.039 307 HB2 SER 57 HB2 SER 57 -0.979 4.425 -10.786 308 HB3 SER 57 HB1 SER 57 0.353 5.570 -10.935 309 HG SER 57 HG SER 57 -1.182 5.407 -13.195 310 H ILE 58 HN ILE 58 2.207 4.768 -10.744 311 HA ILE 58 HA ILE 58 3.268 2.076 -10.225 312 HB ILE 58 HB ILE 58 4.783 4.646 -9.811 313 HG12 ILE 58 HG12 ILE 58 3.993 4.596 -12.145 314 HG13 ILE 58 HG11 ILE 58 5.736 4.407 -12.038 315 HG21 ILE 58 HG21 ILE 58 6.736 3.191 -10.086 316 HG22 ILE 58 HG22 ILE 58 5.669 1.807 -10.320 317 HG23 ILE 58 HG23 ILE 58 5.697 2.646 -8.770 318 HD11 ILE 58 HD11 ILE 58 4.783 2.927 -13.710 319 HD12 ILE 58 HD12 ILE 58 3.739 2.200 -12.488 320 HD13 ILE 58 HD13 ILE 58 5.488 1.999 -12.387 321 H THR 59 HN THR 59 3.398 1.370 -8.168 322 HA THR 59 HA THR 59 3.190 3.374 -6.019 323 HB THR 59 HB THR 59 1.201 1.884 -6.029 324 HG1 THR 59 HG1 THR 59 3.035 1.605 -3.866 325 HG21 THR 59 HG21 THR 59 2.258 -0.112 -6.984 326 HG22 THR 59 HG22 THR 59 1.421 -0.472 -5.474 327 HG23 THR 59 HG23 THR 59 3.179 -0.330 -5.497 328 H VAL 60 HN VAL 60 4.693 3.162 -4.343 329 HA VAL 60 HA VAL 60 6.884 1.299 -4.956 330 HB VAL 60 HB VAL 60 8.414 2.883 -3.881 331 HG11 VAL 60 HG11 VAL 60 8.127 3.000 -6.286 332 HG12 VAL 60 HG12 VAL 60 8.378 4.615 -5.626 333 HG13 VAL 60 HG13 VAL 60 6.759 4.097 -6.093 334 HG21 VAL 60 HG21 VAL 60 6.013 4.700 -3.693 335 HG22 VAL 60 HG22 VAL 60 7.679 5.145 -3.318 336 HG23 VAL 60 HG23 VAL 60 6.846 3.937 -2.340 337 H ALA 61 HN ALA 61 8.313 0.977 -2.941 338 HA ALA 61 HA ALA 61 7.095 -0.566 -1.067 339 HB1 ALA 61 HB1 ALA 61 9.510 -0.463 -1.365 340 HB2 ALA 61 HB2 ALA 61 9.074 -0.256 0.332 341 HB3 ALA 61 HB3 ALA 61 9.541 1.143 -0.636 342 H GLU 62 HN GLU 62 6.446 -0.315 1.082 343 HA GLU 62 HA GLU 62 4.492 1.587 1.392 344 HB2 GLU 62 HB2 GLU 62 4.597 -0.551 2.601 345 HB3 GLU 62 HB1 GLU 62 5.890 0.083 3.606 346 HG2 GLU 62 HG2 GLU 62 3.759 0.141 4.757 347 HG3 GLU 62 HG1 GLU 62 4.396 1.764 4.504 348 HA PRO 63 HA PRO 63 7.069 4.387 4.146 349 HB2 PRO 63 HB2 PRO 63 9.613 3.647 4.896 350 HB3 PRO 63 HB1 PRO 63 8.147 3.235 5.784 351 HG2 PRO 63 HG2 PRO 63 9.916 1.481 4.348 352 HG3 PRO 63 HG1 PRO 63 8.477 1.057 5.287 353 HD2 PRO 63 HD2 PRO 63 8.798 1.365 2.375 354 HD3 PRO 63 HD1 PRO 63 7.555 0.489 3.288 355 H ASP 64 HN ASP 64 8.225 3.328 1.235 356 HA ASP 64 HA ASP 64 10.414 5.284 1.105 357 HB2 ASP 64 HB2 ASP 64 10.345 2.669 0.286 358 HB3 ASP 64 HB1 ASP 64 10.031 3.535 -1.216 359 H PHE 65 HN PHE 65 7.337 5.566 0.753 360 HA PHE 65 HA PHE 65 6.817 6.350 -1.889 361 HB2 PHE 65 HB2 PHE 65 5.069 5.959 -0.179 362 HB3 PHE 65 HB1 PHE 65 5.566 7.431 0.646 363 HD1 PHE 65 HD2 PHE 65 4.450 6.281 -2.721 364 HD2 PHE 65 HD1 PHE 65 4.421 9.370 0.201 365 HE1 PHE 65 HE2 PHE 65 2.891 7.577 -4.115 366 HE2 PHE 65 HE1 PHE 65 2.859 10.673 -1.186 367 HZ PHE 65 HZ PHE 65 2.092 9.778 -3.347 368 H THR 66 HN THR 66 8.444 7.945 0.706 369 HA THR 66 HA THR 66 8.329 10.603 -0.144 370 HB THR 66 HB THR 66 9.113 10.002 2.078 371 HG1 THR 66 HG1 THR 66 11.181 11.249 1.995 372 HG21 THR 66 HG21 THR 66 11.549 8.861 0.711 373 HG22 THR 66 HG22 THR 66 10.284 7.927 1.508 374 HG23 THR 66 HG23 THR 66 11.311 9.008 2.452 375 H ALA 67 HN ALA 67 10.355 7.929 -1.213 376 HA ALA 67 HA ALA 67 12.157 9.586 -2.722 377 HB1 ALA 67 HB1 ALA 67 11.663 6.613 -2.884 378 HB2 ALA 67 HB2 ALA 67 12.879 7.409 -1.885 379 HB3 ALA 67 HB3 ALA 67 12.998 7.482 -3.643 380 H ALA 68 HN ALA 68 9.284 7.656 -3.379 381 HA ALA 68 HA ALA 68 9.224 7.719 -6.144 382 HB1 ALA 68 HB1 ALA 68 6.797 7.472 -5.958 383 HB2 ALA 68 HB2 ALA 68 6.879 7.925 -4.256 384 HB3 ALA 68 HB3 ALA 68 7.638 6.431 -4.811 385 H VAL 69 HN VAL 69 7.791 10.062 -3.880 386 HA VAL 69 HA VAL 69 6.829 11.863 -5.799 387 HB VAL 69 HB VAL 69 7.782 12.512 -3.002 388 HG11 VAL 69 HG11 VAL 69 6.219 14.389 -3.135 389 HG12 VAL 69 HG12 VAL 69 5.848 13.961 -4.805 390 HG13 VAL 69 HG13 VAL 69 7.470 14.502 -4.374 391 HG21 VAL 69 HG21 VAL 69 5.069 11.643 -3.984 392 HG22 VAL 69 HG22 VAL 69 5.430 12.210 -2.354 393 HG23 VAL 69 HG23 VAL 69 6.158 10.718 -2.950 394 H TYR 70 HN TYR 70 9.978 11.564 -4.258 395 HA TYR 70 HA TYR 70 11.014 14.052 -5.144 396 HB2 TYR 70 HB2 TYR 70 11.876 12.627 -3.233 397 HB3 TYR 70 HB1 TYR 70 12.611 11.587 -4.448 398 HD1 TYR 70 HD2 TYR 70 12.387 15.305 -4.075 399 HD2 TYR 70 HD1 TYR 70 14.903 11.891 -4.454 400 HE1 TYR 70 HE2 TYR 70 14.359 16.767 -4.106 401 HE2 TYR 70 HE1 TYR 70 16.884 13.353 -4.482 402 HH TYR 70 HH TYR 70 17.525 15.599 -4.873 403 H TRP 71 HN TRP 71 11.135 10.757 -6.447 404 HA TRP 71 HA TRP 71 12.857 11.444 -8.614 405 HB2 TRP 71 HB2 TRP 71 11.005 9.070 -8.333 406 HB3 TRP 71 HB1 TRP 71 12.285 9.235 -9.528 407 HD1 TRP 71 HD1 TRP 71 11.972 7.011 -7.058 408 HE1 TRP 71 HE1 TRP 71 14.040 6.631 -5.566 409 HE3 TRP 71 HE3 TRP 71 14.519 11.343 -8.064 410 HZ2 TRP 71 HZ2 TRP 71 16.409 7.993 -4.897 411 HZ3 TRP 71 HZ3 TRP 71 16.670 11.720 -6.943 412 HH2 TRP 71 HH2 TRP 71 17.596 10.079 -5.394 413 H ILE 72 HN ILE 72 9.353 11.255 -8.210 414 HA ILE 72 HA ILE 72 8.710 11.757 -10.929 415 HB ILE 72 HB ILE 72 7.074 12.425 -8.472 416 HG12 ILE 72 HG12 ILE 72 7.571 10.055 -8.564 417 HG13 ILE 72 HG11 ILE 72 5.887 10.308 -9.010 418 HG21 ILE 72 HG21 ILE 72 5.155 12.401 -10.011 419 HG22 ILE 72 HG22 ILE 72 6.262 12.180 -11.368 420 HG23 ILE 72 HG23 ILE 72 6.314 13.667 -10.420 421 HD11 ILE 72 HD11 ILE 72 6.476 10.064 -11.365 422 HD12 ILE 72 HD12 ILE 72 6.938 8.642 -10.429 423 HD13 ILE 72 HD13 ILE 72 8.163 9.814 -10.917 424 H LYS 73 HN LYS 73 9.392 13.844 -8.176 425 HA LYS 73 HA LYS 73 8.809 16.321 -9.383 426 HB2 LYS 73 HB2 LYS 73 9.212 16.021 -6.961 427 HB3 LYS 73 HB1 LYS 73 10.902 15.671 -7.290 428 HG2 LYS 73 HG2 LYS 73 11.164 17.946 -8.215 429 HG3 LYS 73 HG1 LYS 73 9.486 18.285 -7.786 430 HD2 LYS 73 HD2 LYS 73 11.665 17.508 -5.847 431 HD3 LYS 73 HD1 LYS 73 11.077 19.149 -6.115 432 HE2 LYS 73 HE2 LYS 73 9.357 16.854 -5.186 433 HE3 LYS 73 HE1 LYS 73 10.115 18.026 -4.108 434 HZ1 LYS 73 HZ1 LYS 73 8.797 19.751 -4.957 435 HZ2 LYS 73 HZ2 LYS 73 7.726 18.451 -4.761 436 HZ3 LYS 73 HZ3 LYS 73 8.302 18.848 -6.305 437 H THR 74 HN THR 74 11.386 14.088 -9.811 438 HA THR 74 HA THR 74 13.114 16.015 -11.139 439 HB THR 74 HB THR 74 13.510 13.027 -10.850 440 HG1 THR 74 HG1 THR 74 13.354 13.982 -8.786 441 HG21 THR 74 HG21 THR 74 15.883 13.574 -11.156 442 HG22 THR 74 HG22 THR 74 15.468 15.276 -11.356 443 HG23 THR 74 HG23 THR 74 14.929 14.092 -12.546 444 H TYR 75 HN TYR 75 10.638 13.771 -11.896 445 HA TYR 75 HA TYR 75 11.395 13.324 -14.631 446 HB2 TYR 75 HB2 TYR 75 10.074 11.647 -13.473 447 HB3 TYR 75 HB1 TYR 75 8.810 12.823 -13.136 448 HD1 TYR 75 HD1 TYR 75 10.554 11.120 -15.953 449 HD2 TYR 75 HD2 TYR 75 7.016 13.057 -14.601 450 HE1 TYR 75 HE1 TYR 75 9.415 10.483 -18.037 451 HE2 TYR 75 HE2 TYR 75 5.869 12.426 -16.679 452 HH TYR 75 HH TYR 75 6.288 11.752 -18.873 453 H GLN 76 HN GLN 76 9.250 15.508 -12.890 454 HA GLN 76 HA GLN 76 8.315 16.651 -15.398 455 HB2 GLN 76 HB2 GLN 76 6.862 18.065 -13.893 456 HB3 GLN 76 HB1 GLN 76 6.555 16.337 -13.850 457 HG2 GLN 76 HG2 GLN 76 7.860 16.188 -11.762 458 HG3 GLN 76 HG1 GLN 76 8.077 17.938 -11.804 459 HE21 GLN 76 HE21 GLN 76 5.819 15.343 -11.307 460 HE22 GLN 76 HE22 GLN 76 4.568 16.297 -10.598 Start of MODEL 18 1 H1 LYS 19 HT1 LYS 19 1.596 0.690 1.407 2 H2 LYS 19 HT2 LYS 19 2.476 -0.697 1.820 3 H3 LYS 19 HT3 LYS 19 1.021 -0.841 0.960 4 HA LYS 19 HA LYS 19 3.494 0.463 -0.040 5 HB2 LYS 19 HB2 LYS 19 3.552 -1.494 -1.599 6 HB3 LYS 19 HB1 LYS 19 3.874 -1.894 0.084 7 HG2 LYS 19 HG2 LYS 19 1.893 -3.011 0.346 8 HG3 LYS 19 HG1 LYS 19 1.089 -2.104 -0.936 9 HD2 LYS 19 HD2 LYS 19 3.346 -3.987 -1.539 10 HD3 LYS 19 HD1 LYS 19 1.689 -4.571 -1.371 11 HE2 LYS 19 HE2 LYS 19 2.468 -2.341 -3.245 12 HE3 LYS 19 HE1 LYS 19 2.442 -4.037 -3.727 13 HZ1 LYS 19 HZ1 LYS 19 0.105 -4.148 -3.256 14 HZ2 LYS 19 HZ2 LYS 19 0.374 -2.826 -4.280 15 HZ3 LYS 19 HZ3 LYS 19 0.089 -2.572 -2.633 16 H ASP 20 HN ASP 20 0.315 0.929 -0.077 17 HA ASP 20 HA ASP 20 0.239 1.276 -2.999 18 HB2 ASP 20 HB2 ASP 20 -2.017 0.540 -1.132 19 HB3 ASP 20 HB1 ASP 20 -2.258 1.036 -2.806 20 H LYS 21 HN LYS 21 0.835 3.324 -3.187 21 HA LYS 21 HA LYS 21 -0.957 5.333 -2.008 22 HB2 LYS 21 HB2 LYS 21 2.054 5.448 -2.183 23 HB3 LYS 21 HB1 LYS 21 1.066 6.886 -1.986 24 HG2 LYS 21 HG2 LYS 21 1.314 4.571 -0.082 25 HG3 LYS 21 HG1 LYS 21 1.891 6.223 0.150 26 HD2 LYS 21 HD2 LYS 21 -0.986 5.333 -0.060 27 HD3 LYS 21 HD1 LYS 21 -0.159 5.875 1.401 28 HE2 LYS 21 HE2 LYS 21 0.061 8.091 0.530 29 HE3 LYS 21 HE1 LYS 21 -0.526 7.583 -1.054 30 HZ1 LYS 21 HZ1 LYS 21 -2.288 8.674 0.109 31 HZ2 LYS 21 HZ2 LYS 21 -2.085 7.683 1.472 32 HZ3 LYS 21 HZ3 LYS 21 -2.661 7.022 0.020 33 H ASP 22 HN ASP 22 -1.483 7.043 -3.336 34 HA ASP 22 HA ASP 22 -1.087 6.551 -6.150 35 HB2 ASP 22 HB2 ASP 22 -2.619 8.483 -6.452 36 HB3 ASP 22 HB1 ASP 22 -3.293 7.233 -5.414 37 H LEU 23 HN LEU 23 0.843 7.057 -6.902 38 HA LEU 23 HA LEU 23 2.216 9.476 -6.059 39 HB2 LEU 23 HB2 LEU 23 3.465 7.381 -6.372 40 HB3 LEU 23 HB1 LEU 23 2.977 7.338 -8.053 41 HG LEU 23 HG LEU 23 4.251 9.417 -8.461 42 HD11 LEU 23 HD11 LEU 23 5.183 9.049 -5.615 43 HD12 LEU 23 HD12 LEU 23 4.156 10.353 -6.208 44 HD13 LEU 23 HD13 LEU 23 5.821 10.217 -6.772 45 HD21 LEU 23 HD21 LEU 23 6.482 8.386 -8.273 46 HD22 LEU 23 HD22 LEU 23 5.275 7.278 -8.923 47 HD23 LEU 23 HD23 LEU 23 5.795 7.129 -7.244 48 H LEU 24 HN LEU 24 0.352 8.261 -8.710 49 HA LEU 24 HA LEU 24 0.674 10.826 -10.109 50 HB2 LEU 24 HB2 LEU 24 0.357 8.103 -11.384 51 HB3 LEU 24 HB1 LEU 24 0.466 9.628 -12.242 52 HG LEU 24 HG LEU 24 2.678 8.534 -10.506 53 HD11 LEU 24 HD11 LEU 24 2.339 8.383 -13.494 54 HD12 LEU 24 HD12 LEU 24 2.264 7.025 -12.372 55 HD13 LEU 24 HD13 LEU 24 3.778 7.905 -12.597 56 HD21 LEU 24 HD21 LEU 24 2.598 10.745 -12.558 57 HD22 LEU 24 HD22 LEU 24 4.042 10.174 -11.722 58 HD23 LEU 24 HD23 LEU 24 2.745 10.946 -10.810 59 H LYS 25 HN LYS 25 -1.200 11.598 -11.179 60 HA LYS 25 HA LYS 25 -3.689 10.399 -10.147 61 HB2 LYS 25 HB2 LYS 25 -3.144 13.296 -10.835 62 HB3 LYS 25 HB1 LYS 25 -4.642 12.655 -10.178 63 HG2 LYS 25 HG2 LYS 25 -2.108 12.267 -8.663 64 HG3 LYS 25 HG1 LYS 25 -2.900 13.841 -8.640 65 HD2 LYS 25 HD2 LYS 25 -3.629 12.551 -6.736 66 HD3 LYS 25 HD1 LYS 25 -4.975 12.752 -7.855 67 HE2 LYS 25 HE2 LYS 25 -4.717 10.509 -8.661 68 HE3 LYS 25 HE1 LYS 25 -3.228 10.297 -7.738 69 HZ1 LYS 25 HZ1 LYS 25 -5.222 9.273 -6.713 70 HZ2 LYS 25 HZ2 LYS 25 -5.883 10.821 -6.510 71 HZ3 LYS 25 HZ3 LYS 25 -4.443 10.397 -5.710 72 H GLY 26 HN GLY 26 -4.831 9.439 -11.672 73 HA2 GLY 26 HA2 GLY 26 -5.835 8.986 -13.677 74 HA3 GLY 26 HA1 GLY 26 -5.883 10.727 -13.890 75 H LEU 27 HN LEU 27 -3.464 8.103 -14.054 76 HA LEU 27 HA LEU 27 -2.579 9.290 -16.604 77 HB2 LEU 27 HB2 LEU 27 -0.963 9.446 -14.618 78 HB3 LEU 27 HB1 LEU 27 -0.793 7.707 -14.764 79 HG LEU 27 HG LEU 27 -0.040 8.046 -17.130 80 HD11 LEU 27 HD11 LEU 27 0.044 10.942 -16.302 81 HD12 LEU 27 HD12 LEU 27 -1.049 10.237 -17.492 82 HD13 LEU 27 HD13 LEU 27 0.687 10.274 -17.801 83 HD21 LEU 27 HD21 LEU 27 2.213 8.785 -16.538 84 HD22 LEU 27 HD22 LEU 27 1.567 7.673 -15.330 85 HD23 LEU 27 HD23 LEU 27 1.609 9.406 -15.002 86 H ASP 28 HN ASP 28 -1.868 7.786 -18.220 87 HA ASP 28 HA ASP 28 -3.057 5.124 -17.896 88 HB2 ASP 28 HB2 ASP 28 -3.751 6.587 -19.844 89 HB3 ASP 28 HB1 ASP 28 -2.113 6.407 -20.466 90 H GLN 29 HN GLN 29 -1.854 3.299 -18.898 91 HA GLN 29 HA GLN 29 0.720 3.141 -17.747 92 HB2 GLN 29 HB2 GLN 29 -0.767 1.199 -17.983 93 HB3 GLN 29 HB1 GLN 29 -0.618 1.288 -19.732 94 HG2 GLN 29 HG2 GLN 29 1.718 0.742 -19.611 95 HG3 GLN 29 HG1 GLN 29 1.677 0.796 -17.849 96 HE21 GLN 29 HE21 GLN 29 2.388 -1.355 -19.709 97 HE22 GLN 29 HE22 GLN 29 1.367 -2.690 -19.307 98 H GLU 30 HN GLU 30 -0.408 3.920 -20.968 99 HA GLU 30 HA GLU 30 1.953 3.551 -22.423 100 HB2 GLU 30 HB2 GLU 30 1.060 5.342 -23.936 101 HB3 GLU 30 HB1 GLU 30 -0.085 4.055 -23.584 102 HG2 GLU 30 HG2 GLU 30 -1.291 5.435 -22.065 103 HG3 GLU 30 HG1 GLU 30 -0.050 6.685 -22.127 104 H GLN 31 HN GLN 31 0.907 6.256 -20.441 105 HA GLN 31 HA GLN 31 3.229 7.838 -21.155 106 HB2 GLN 31 HB2 GLN 31 0.944 8.422 -19.265 107 HB3 GLN 31 HB1 GLN 31 2.159 9.582 -19.799 108 HG2 GLN 31 HG2 GLN 31 1.391 9.451 -22.056 109 HG3 GLN 31 HG1 GLN 31 0.313 8.114 -21.663 110 HE21 GLN 31 HE21 GLN 31 -1.467 9.176 -22.428 111 HE22 GLN 31 HE22 GLN 31 -2.193 10.512 -21.591 112 H ALA 32 HN ALA 32 2.226 5.691 -18.695 113 HA ALA 32 HA ALA 32 3.836 6.574 -16.553 114 HB1 ALA 32 HB1 ALA 32 2.839 3.795 -17.169 115 HB2 ALA 32 HB2 ALA 32 1.990 5.020 -16.227 116 HB3 ALA 32 HB3 ALA 32 3.498 4.332 -15.627 117 H ASN 33 HN ASN 33 4.613 5.042 -19.495 118 HA ASN 33 HA ASN 33 6.793 3.451 -18.898 119 HB2 ASN 33 HB2 ASN 33 5.783 3.567 -21.121 120 HB3 ASN 33 HB1 ASN 33 6.377 5.210 -21.322 121 HD21 ASN 33 HD21 ASN 33 8.504 5.560 -21.862 122 HD22 ASN 33 HD22 ASN 33 9.572 4.273 -22.308 123 H GLU 34 HN GLU 34 6.689 6.967 -19.298 124 HA GLU 34 HA GLU 34 9.532 7.269 -19.141 125 HB2 GLU 34 HB2 GLU 34 7.355 9.327 -18.724 126 HB3 GLU 34 HB1 GLU 34 9.064 9.671 -18.951 127 HG2 GLU 34 HG2 GLU 34 7.154 8.494 -20.950 128 HG3 GLU 34 HG1 GLU 34 7.934 10.074 -21.009 129 H VAL 35 HN VAL 35 6.897 7.254 -16.877 130 HA VAL 35 HA VAL 35 8.367 8.410 -14.712 131 HB VAL 35 HB VAL 35 5.731 6.927 -14.742 132 HG11 VAL 35 HG11 VAL 35 6.981 8.546 -12.527 133 HG12 VAL 35 HG12 VAL 35 6.787 6.793 -12.541 134 HG13 VAL 35 HG13 VAL 35 5.367 7.838 -12.513 135 HG21 VAL 35 HG21 VAL 35 6.337 9.876 -14.560 136 HG22 VAL 35 HG22 VAL 35 4.734 9.137 -14.552 137 HG23 VAL 35 HG23 VAL 35 5.746 9.039 -15.994 138 H ILE 36 HN ILE 36 7.249 5.109 -15.494 139 HA ILE 36 HA ILE 36 8.226 3.888 -13.165 140 HB ILE 36 HB ILE 36 6.608 2.815 -14.698 141 HG12 ILE 36 HG12 ILE 36 9.112 1.177 -14.238 142 HG13 ILE 36 HG11 ILE 36 7.861 1.481 -13.037 143 HG21 ILE 36 HG21 ILE 36 7.428 1.654 -16.708 144 HG22 ILE 36 HG22 ILE 36 9.005 2.413 -16.481 145 HG23 ILE 36 HG23 ILE 36 7.587 3.405 -16.826 146 HD11 ILE 36 HD11 ILE 36 7.619 -0.727 -13.984 147 HD12 ILE 36 HD12 ILE 36 7.529 -0.046 -15.609 148 HD13 ILE 36 HD13 ILE 36 6.249 0.284 -14.441 149 H ALA 37 HN ALA 37 9.857 4.909 -16.031 150 HA ALA 37 HA ALA 37 12.095 3.234 -15.981 151 HB1 ALA 37 HB1 ALA 37 13.184 4.924 -17.356 152 HB2 ALA 37 HB2 ALA 37 11.922 6.085 -16.947 153 HB3 ALA 37 HB3 ALA 37 11.525 4.648 -17.889 154 H VAL 38 HN VAL 38 11.401 6.234 -14.232 155 HA VAL 38 HA VAL 38 14.099 6.529 -13.321 156 HB VAL 38 HB VAL 38 12.426 8.433 -13.574 157 HG11 VAL 38 HG11 VAL 38 10.532 7.485 -12.425 158 HG12 VAL 38 HG12 VAL 38 11.052 8.961 -11.611 159 HG13 VAL 38 HG13 VAL 38 11.453 7.387 -10.926 160 HG21 VAL 38 HG21 VAL 38 14.579 8.753 -12.523 161 HG22 VAL 38 HG22 VAL 38 13.944 8.169 -10.986 162 HG23 VAL 38 HG23 VAL 38 13.347 9.680 -11.669 163 H LEU 39 HN LEU 39 11.253 4.892 -12.155 164 HA LEU 39 HA LEU 39 12.242 4.521 -9.489 165 HB2 LEU 39 HB2 LEU 39 10.006 3.213 -11.025 166 HB3 LEU 39 HB1 LEU 39 10.439 2.722 -9.403 167 HG LEU 39 HG LEU 39 8.601 4.136 -9.131 168 HD11 LEU 39 HD11 LEU 39 10.391 4.658 -7.581 169 HD12 LEU 39 HD12 LEU 39 9.451 6.100 -7.967 170 HD13 LEU 39 HD13 LEU 39 11.035 5.854 -8.705 171 HD21 LEU 39 HD21 LEU 39 8.524 5.063 -11.374 172 HD22 LEU 39 HD22 LEU 39 9.903 6.100 -11.006 173 HD23 LEU 39 HD23 LEU 39 8.374 6.332 -10.159 174 H GLN 40 HN GLN 40 11.861 2.365 -12.304 175 HA GLN 40 HA GLN 40 13.018 0.112 -11.103 176 HB2 GLN 40 HB2 GLN 40 11.645 0.016 -13.141 177 HB3 GLN 40 HB1 GLN 40 12.922 0.828 -14.037 178 HG2 GLN 40 HG2 GLN 40 14.419 -1.055 -13.621 179 HG3 GLN 40 HG1 GLN 40 13.146 -1.866 -12.712 180 HE21 GLN 40 HE21 GLN 40 14.574 -2.711 -15.097 181 HE22 GLN 40 HE22 GLN 40 13.370 -2.994 -16.310 182 H MET 41 HN MET 41 14.458 2.737 -12.976 183 HA MET 41 HA MET 41 17.025 1.652 -13.285 184 HB2 MET 41 HB2 MET 41 16.231 3.646 -14.495 185 HB3 MET 41 HB1 MET 41 16.218 4.556 -12.995 186 HG2 MET 41 HG2 MET 41 18.736 3.305 -14.030 187 HG3 MET 41 HG1 MET 41 18.178 4.871 -14.616 188 HE1 MET 41 HE1 MET 41 21.169 5.768 -12.232 189 HE2 MET 41 HE2 MET 41 20.547 5.828 -13.881 190 HE3 MET 41 HE3 MET 41 21.041 4.286 -13.179 191 H HIS 42 HN HIS 42 15.576 3.482 -10.645 192 HA HIS 42 HA HIS 42 18.078 3.660 -9.214 193 HB2 HIS 42 HB2 HIS 42 15.296 4.644 -8.730 194 HB3 HIS 42 HB1 HIS 42 16.425 4.565 -7.382 195 HD1 HIS 42 HD1 HIS 42 17.914 6.524 -7.093 196 HD2 HIS 42 HD2 HIS 42 16.340 6.310 -10.937 197 HE1 HIS 42 HE1 HIS 42 18.689 8.618 -8.265 198 HE2 HIS 42 HE2 HIS 42 17.853 8.389 -10.634 199 H ASN 43 HN ASN 43 16.010 1.193 -9.687 200 HA ASN 43 HA ASN 43 15.797 -0.857 -8.761 201 HB2 ASN 43 HB2 ASN 43 18.127 0.156 -7.160 202 HB3 ASN 43 HB1 ASN 43 17.415 -1.417 -6.822 203 HD21 ASN 43 HD21 ASN 43 20.069 -0.641 -7.867 204 HD22 ASN 43 HD22 ASN 43 20.248 -1.513 -9.349 205 H ILE 44 HN ILE 44 14.342 1.553 -7.662 206 HA ILE 44 HA ILE 44 13.657 0.526 -5.019 207 HB ILE 44 HB ILE 44 13.736 2.929 -5.153 208 HG12 ILE 44 HG12 ILE 44 10.861 1.996 -5.059 209 HG13 ILE 44 HG11 ILE 44 11.997 1.968 -3.715 210 HG21 ILE 44 HG21 ILE 44 12.246 4.215 -6.623 211 HG22 ILE 44 HG22 ILE 44 11.729 2.710 -7.385 212 HG23 ILE 44 HG23 ILE 44 13.407 3.235 -7.519 213 HD11 ILE 44 HD11 ILE 44 10.456 3.839 -3.547 214 HD12 ILE 44 HD12 ILE 44 10.990 4.433 -5.119 215 HD13 ILE 44 HD13 ILE 44 12.113 4.402 -3.759 216 H GLU 45 HN GLU 45 11.871 -0.655 -4.599 217 HA GLU 45 HA GLU 45 10.764 -2.155 -6.696 218 HB2 GLU 45 HB2 GLU 45 10.990 -2.888 -4.311 219 HB3 GLU 45 HB1 GLU 45 9.632 -1.845 -3.912 220 HG2 GLU 45 HG2 GLU 45 8.883 -4.118 -4.155 221 HG3 GLU 45 HG1 GLU 45 8.211 -3.122 -5.446 222 H ALA 46 HN ALA 46 9.415 -1.430 -8.183 223 HA ALA 46 HA ALA 46 7.332 0.501 -7.401 224 HB1 ALA 46 HB1 ALA 46 7.313 1.236 -9.720 225 HB2 ALA 46 HB2 ALA 46 8.524 0.024 -10.134 226 HB3 ALA 46 HB3 ALA 46 8.941 1.353 -9.052 227 H ASN 47 HN ASN 47 5.259 -0.051 -7.642 228 HA ASN 47 HA ASN 47 4.617 -2.469 -9.200 229 HB2 ASN 47 HB2 ASN 47 4.607 -2.577 -6.560 230 HB3 ASN 47 HB1 ASN 47 3.068 -1.742 -6.733 231 HD21 ASN 47 HD21 ASN 47 3.736 -4.435 -5.746 232 HD22 ASN 47 HD22 ASN 47 2.764 -5.517 -6.679 233 H LYS 48 HN LYS 48 2.051 -2.494 -9.486 234 HA LYS 48 HA LYS 48 1.396 0.170 -10.564 235 HB2 LYS 48 HB2 LYS 48 0.120 -2.478 -11.280 236 HB3 LYS 48 HB1 LYS 48 -0.159 -0.938 -12.067 237 HG2 LYS 48 HG2 LYS 48 1.222 -2.012 -13.553 238 HG3 LYS 48 HG1 LYS 48 2.373 -1.049 -12.623 239 HD2 LYS 48 HD2 LYS 48 3.249 -2.883 -11.555 240 HD3 LYS 48 HD1 LYS 48 1.754 -3.810 -11.692 241 HE2 LYS 48 HE2 LYS 48 3.593 -3.151 -13.987 242 HE3 LYS 48 HE1 LYS 48 3.582 -4.681 -13.112 243 HZ1 LYS 48 HZ1 LYS 48 1.237 -4.950 -13.774 244 HZ2 LYS 48 HZ2 LYS 48 2.297 -4.907 -15.101 245 HZ3 LYS 48 HZ3 LYS 48 1.357 -3.548 -14.722 246 H ILE 49 HN ILE 49 -0.225 1.302 -9.650 247 HA ILE 49 HA ILE 49 -2.093 -0.055 -7.883 248 HB ILE 49 HB ILE 49 -3.128 2.431 -8.050 249 HG12 ILE 49 HG12 ILE 49 -0.154 2.770 -8.500 250 HG13 ILE 49 HG11 ILE 49 -1.422 3.217 -9.635 251 HG21 ILE 49 HG21 ILE 49 -0.831 1.556 -6.312 252 HG22 ILE 49 HG22 ILE 49 -2.549 1.292 -6.004 253 HG23 ILE 49 HG23 ILE 49 -1.890 2.930 -5.982 254 HD11 ILE 49 HD11 ILE 49 -0.945 4.434 -6.925 255 HD12 ILE 49 HD12 ILE 49 -2.247 4.872 -8.030 256 HD13 ILE 49 HD13 ILE 49 -0.569 5.162 -8.487 257 H ASP 50 HN ASP 50 -3.225 -1.397 -9.220 258 HA ASP 50 HA ASP 50 -4.334 -0.489 -11.711 259 HB2 ASP 50 HB2 ASP 50 -3.545 -2.843 -11.267 260 HB3 ASP 50 HB1 ASP 50 -4.958 -3.055 -10.239 261 H SER 51 HN SER 51 -5.955 0.891 -11.667 262 HA SER 51 HA SER 51 -8.454 0.095 -10.450 263 HB2 SER 51 HB2 SER 51 -7.169 2.751 -9.734 264 HB3 SER 51 HB1 SER 51 -8.793 2.239 -9.279 265 HG SER 51 HG SER 51 -6.937 0.397 -8.569 266 H GLY 52 HN GLY 52 -10.077 0.609 -11.849 267 HA2 GLY 52 HA2 GLY 52 -9.512 1.760 -14.353 268 HA3 GLY 52 HA1 GLY 52 -11.120 1.468 -13.708 269 H LYS 53 HN LYS 53 -10.734 3.175 -11.387 270 HA LYS 53 HA LYS 53 -11.432 5.677 -12.626 271 HB2 LYS 53 HB2 LYS 53 -12.588 4.771 -10.610 272 HB3 LYS 53 HB1 LYS 53 -11.115 5.017 -9.690 273 HG2 LYS 53 HG2 LYS 53 -12.573 6.814 -9.188 274 HG3 LYS 53 HG1 LYS 53 -11.294 7.460 -10.216 275 HD2 LYS 53 HD2 LYS 53 -13.971 6.580 -11.292 276 HD3 LYS 53 HD1 LYS 53 -13.663 8.225 -10.735 277 HE2 LYS 53 HE2 LYS 53 -11.851 8.425 -12.380 278 HE3 LYS 53 HE1 LYS 53 -12.186 6.788 -12.939 279 HZ1 LYS 53 HZ1 LYS 53 -13.866 9.207 -13.233 280 HZ2 LYS 53 HZ2 LYS 53 -14.519 7.649 -13.399 281 HZ3 LYS 53 HZ3 LYS 53 -13.281 8.165 -14.439 282 H LEU 54 HN LEU 54 -8.538 4.274 -11.765 283 HA LEU 54 HA LEU 54 -7.251 6.864 -11.212 284 HB2 LEU 54 HB2 LEU 54 -7.129 4.825 -9.600 285 HB3 LEU 54 HB1 LEU 54 -5.996 4.170 -10.762 286 HG LEU 54 HG LEU 54 -5.597 6.833 -9.399 287 HD11 LEU 54 HD11 LEU 54 -4.035 5.653 -7.918 288 HD12 LEU 54 HD12 LEU 54 -4.551 4.117 -8.617 289 HD13 LEU 54 HD13 LEU 54 -5.698 5.103 -7.709 290 HD21 LEU 54 HD21 LEU 54 -3.287 6.567 -10.080 291 HD22 LEU 54 HD22 LEU 54 -4.343 6.480 -11.491 292 HD23 LEU 54 HD23 LEU 54 -3.655 5.005 -10.810 293 H GLY 55 HN GLY 55 -7.011 3.871 -13.064 294 HA2 GLY 55 HA2 GLY 55 -6.276 3.845 -15.351 295 HA3 GLY 55 HA1 GLY 55 -5.247 5.230 -14.989 296 H TYR 56 HN TYR 56 -3.214 4.584 -15.209 297 HA TYR 56 HA TYR 56 -2.355 2.368 -13.499 298 HB2 TYR 56 HB2 TYR 56 -1.728 2.724 -16.413 299 HB3 TYR 56 HB1 TYR 56 -0.573 1.924 -15.351 300 HD1 TYR 56 HD2 TYR 56 -1.185 -0.168 -14.212 301 HD2 TYR 56 HD1 TYR 56 -3.756 1.622 -17.088 302 HE1 TYR 56 HE2 TYR 56 -2.436 -2.272 -14.385 303 HE2 TYR 56 HE1 TYR 56 -5.026 -0.477 -17.265 304 HH TYR 56 HH TYR 56 -4.736 -2.981 -15.012 305 H SER 57 HN SER 57 -0.973 3.072 -12.088 306 HA SER 57 HA SER 57 0.981 5.097 -12.839 307 HB2 SER 57 HB2 SER 57 -0.876 5.351 -10.459 308 HB3 SER 57 HB1 SER 57 0.482 6.422 -10.814 309 HG SER 57 HG SER 57 -1.125 6.157 -12.967 310 H ILE 58 HN ILE 58 2.489 5.453 -10.859 311 HA ILE 58 HA ILE 58 3.440 2.785 -10.208 312 HB ILE 58 HB ILE 58 4.828 5.433 -9.736 313 HG12 ILE 58 HG12 ILE 58 4.319 5.123 -12.120 314 HG13 ILE 58 HG11 ILE 58 6.049 4.977 -11.821 315 HG21 ILE 58 HG21 ILE 58 5.701 3.609 -8.390 316 HG22 ILE 58 HG22 ILE 58 6.856 4.052 -9.646 317 HG23 ILE 58 HG23 ILE 58 5.868 2.601 -9.826 318 HD11 ILE 58 HD11 ILE 58 5.813 2.526 -11.883 319 HD12 ILE 58 HD12 ILE 58 5.334 3.301 -13.393 320 HD13 ILE 58 HD13 ILE 58 4.104 2.725 -12.268 321 H THR 59 HN THR 59 3.239 1.911 -8.265 322 HA THR 59 HA THR 59 3.092 3.721 -5.957 323 HB THR 59 HB THR 59 0.887 2.677 -6.273 324 HG1 THR 59 HG1 THR 59 2.015 1.380 -4.033 325 HG21 THR 59 HG21 THR 59 0.589 0.262 -5.933 326 HG22 THR 59 HG22 THR 59 2.340 0.055 -5.892 327 HG23 THR 59 HG23 THR 59 1.552 0.598 -7.373 328 H VAL 60 HN VAL 60 4.536 3.344 -4.408 329 HA VAL 60 HA VAL 60 6.203 0.929 -4.646 330 HB VAL 60 HB VAL 60 8.113 2.237 -3.853 331 HG11 VAL 60 HG11 VAL 60 7.879 2.078 -6.234 332 HG12 VAL 60 HG12 VAL 60 8.406 3.715 -5.842 333 HG13 VAL 60 HG13 VAL 60 6.721 3.408 -6.255 334 HG21 VAL 60 HG21 VAL 60 7.996 4.671 -3.652 335 HG22 VAL 60 HG22 VAL 60 6.894 3.889 -2.516 336 HG23 VAL 60 HG23 VAL 60 6.266 4.620 -3.993 337 H ALA 61 HN ALA 61 7.432 0.530 -2.519 338 HA ALA 61 HA ALA 61 5.781 0.090 -0.359 339 HB1 ALA 61 HB1 ALA 61 8.029 -0.854 -0.520 340 HB2 ALA 61 HB2 ALA 61 7.817 -0.010 1.014 341 HB3 ALA 61 HB3 ALA 61 8.731 0.749 -0.289 342 H GLU 62 HN GLU 62 4.970 1.336 1.269 343 HA GLU 62 HA GLU 62 4.662 4.039 0.698 344 HB2 GLU 62 HB2 GLU 62 3.897 2.398 3.085 345 HB3 GLU 62 HB1 GLU 62 3.577 4.130 3.017 346 HG2 GLU 62 HG2 GLU 62 2.326 3.826 0.947 347 HG3 GLU 62 HG1 GLU 62 2.634 2.094 1.007 348 HA PRO 63 HA PRO 63 7.906 4.941 4.288 349 HB2 PRO 63 HB2 PRO 63 9.987 3.105 4.032 350 HB3 PRO 63 HB1 PRO 63 8.817 3.157 5.353 351 HG2 PRO 63 HG2 PRO 63 8.850 1.440 2.916 352 HG3 PRO 63 HG1 PRO 63 8.358 1.034 4.570 353 HD2 PRO 63 HD2 PRO 63 6.546 1.484 2.656 354 HD3 PRO 63 HD1 PRO 63 6.273 2.020 4.327 355 H ASP 64 HN ASP 64 8.590 3.339 1.218 356 HA ASP 64 HA ASP 64 10.836 5.082 0.639 357 HB2 ASP 64 HB2 ASP 64 9.527 2.822 -0.875 358 HB3 ASP 64 HB1 ASP 64 10.804 3.807 -1.575 359 H PHE 65 HN PHE 65 7.604 5.552 0.527 360 HA PHE 65 HA PHE 65 7.116 6.501 -2.071 361 HB2 PHE 65 HB2 PHE 65 5.357 5.990 -0.379 362 HB3 PHE 65 HB1 PHE 65 5.812 7.454 0.483 363 HD1 PHE 65 HD2 PHE 65 4.796 6.367 -2.937 364 HD2 PHE 65 HD1 PHE 65 4.611 9.365 0.077 365 HE1 PHE 65 HE2 PHE 65 3.228 7.659 -4.324 366 HE2 PHE 65 HE1 PHE 65 3.044 10.663 -1.307 367 HZ PHE 65 HZ PHE 65 2.353 9.810 -3.510 368 H THR 66 HN THR 66 8.643 7.978 0.684 369 HA THR 66 HA THR 66 8.558 10.658 -0.159 370 HB THR 66 HB THR 66 9.162 9.979 2.136 371 HG1 THR 66 HG1 THR 66 9.888 11.958 1.979 372 HG21 THR 66 HG21 THR 66 11.444 9.223 2.634 373 HG22 THR 66 HG22 THR 66 11.779 9.107 0.907 374 HG23 THR 66 HG23 THR 66 10.574 8.051 1.643 375 H ALA 67 HN ALA 67 10.566 7.970 -1.116 376 HA ALA 67 HA ALA 67 12.524 9.580 -2.477 377 HB1 ALA 67 HB1 ALA 67 13.131 7.379 -1.610 378 HB2 ALA 67 HB2 ALA 67 13.344 7.443 -3.361 379 HB3 ALA 67 HB3 ALA 67 11.942 6.624 -2.671 380 H ALA 68 HN ALA 68 9.706 7.643 -3.364 381 HA ALA 68 HA ALA 68 9.752 7.894 -6.130 382 HB1 ALA 68 HB1 ALA 68 7.346 7.494 -6.051 383 HB2 ALA 68 HB2 ALA 68 7.328 7.862 -4.327 384 HB3 ALA 68 HB3 ALA 68 8.196 6.446 -4.919 385 H VAL 69 HN VAL 69 8.257 10.052 -3.732 386 HA VAL 69 HA VAL 69 7.211 11.942 -5.507 387 HB VAL 69 HB VAL 69 8.228 12.372 -2.689 388 HG11 VAL 69 HG11 VAL 69 8.032 14.493 -3.871 389 HG12 VAL 69 HG12 VAL 69 6.760 14.339 -2.659 390 HG13 VAL 69 HG13 VAL 69 6.389 14.083 -4.363 391 HG21 VAL 69 HG21 VAL 69 6.499 10.684 -2.771 392 HG22 VAL 69 HG22 VAL 69 5.473 11.743 -3.740 393 HG23 VAL 69 HG23 VAL 69 5.848 12.167 -2.069 394 H TYR 70 HN TYR 70 10.423 11.671 -4.066 395 HA TYR 70 HA TYR 70 11.353 14.207 -4.940 396 HB2 TYR 70 HB2 TYR 70 12.356 12.944 -3.057 397 HB3 TYR 70 HB1 TYR 70 12.963 11.756 -4.205 398 HD1 TYR 70 HD2 TYR 70 12.991 15.495 -3.908 399 HD2 TYR 70 HD1 TYR 70 15.213 11.938 -4.641 400 HE1 TYR 70 HE2 TYR 70 15.027 16.838 -4.214 401 HE2 TYR 70 HE1 TYR 70 17.253 13.275 -4.947 402 HH TYR 70 HH TYR 70 17.966 15.460 -5.441 403 H TRP 71 HN TRP 71 11.492 10.959 -6.321 404 HA TRP 71 HA TRP 71 13.198 11.642 -8.474 405 HB2 TRP 71 HB2 TRP 71 11.153 9.414 -8.337 406 HB3 TRP 71 HB1 TRP 71 12.454 9.544 -9.513 407 HD1 TRP 71 HD1 TRP 71 11.931 7.201 -7.193 408 HE1 TRP 71 HE1 TRP 71 13.938 6.560 -5.705 409 HE3 TRP 71 HE3 TRP 71 14.845 11.357 -7.913 410 HZ2 TRP 71 HZ2 TRP 71 16.411 7.670 -4.945 411 HZ3 TRP 71 HZ3 TRP 71 17.012 11.482 -6.762 412 HH2 TRP 71 HH2 TRP 71 17.780 9.673 -5.311 413 H ILE 72 HN ILE 72 9.673 11.521 -8.147 414 HA ILE 72 HA ILE 72 9.163 12.224 -10.861 415 HB ILE 72 HB ILE 72 7.302 12.557 -8.501 416 HG12 ILE 72 HG12 ILE 72 8.100 10.262 -8.575 417 HG13 ILE 72 HG11 ILE 72 6.435 10.320 -9.143 418 HG21 ILE 72 HG21 ILE 72 6.774 12.280 -11.459 419 HG22 ILE 72 HG22 ILE 72 6.535 13.728 -10.478 420 HG23 ILE 72 HG23 ILE 72 5.534 12.301 -10.205 421 HD11 ILE 72 HD11 ILE 72 7.212 10.191 -11.446 422 HD12 ILE 72 HD12 ILE 72 7.796 8.824 -10.496 423 HD13 ILE 72 HD13 ILE 72 8.882 10.159 -10.884 424 H LYS 73 HN LYS 73 9.910 14.015 -8.002 425 HA LYS 73 HA LYS 73 8.922 16.544 -8.805 426 HB2 LYS 73 HB2 LYS 73 9.592 15.981 -6.479 427 HB3 LYS 73 HB1 LYS 73 11.270 15.922 -6.994 428 HG2 LYS 73 HG2 LYS 73 10.767 18.019 -5.881 429 HG3 LYS 73 HG1 LYS 73 11.185 18.289 -7.574 430 HD2 LYS 73 HD2 LYS 73 9.300 19.667 -7.032 431 HD3 LYS 73 HD1 LYS 73 8.751 18.369 -8.094 432 HE2 LYS 73 HE2 LYS 73 8.006 17.123 -6.063 433 HE3 LYS 73 HE1 LYS 73 8.418 18.540 -5.098 434 HZ1 LYS 73 HZ1 LYS 73 6.846 19.816 -6.523 435 HZ2 LYS 73 HZ2 LYS 73 6.108 18.624 -5.566 436 HZ3 LYS 73 HZ3 LYS 73 6.353 18.347 -7.221 437 H THR 74 HN THR 74 11.557 14.653 -9.852 438 HA THR 74 HA THR 74 12.986 16.923 -11.002 439 HB THR 74 HB THR 74 13.691 13.996 -11.296 440 HG1 THR 74 HG1 THR 74 13.590 14.480 -9.067 441 HG21 THR 74 HG21 THR 74 14.858 15.561 -12.791 442 HG22 THR 74 HG22 THR 74 15.959 14.854 -11.608 443 HG23 THR 74 HG23 THR 74 15.375 16.504 -11.392 444 H TYR 75 HN TYR 75 10.434 14.939 -11.789 445 HA TYR 75 HA TYR 75 10.997 14.820 -14.652 446 HB2 TYR 75 HB2 TYR 75 10.115 12.803 -13.591 447 HB3 TYR 75 HB1 TYR 75 8.728 13.700 -12.989 448 HD1 TYR 75 HD1 TYR 75 10.317 12.300 -16.011 449 HD2 TYR 75 HD2 TYR 75 6.831 14.113 -14.377 450 HE1 TYR 75 HE1 TYR 75 9.051 11.673 -18.027 451 HE2 TYR 75 HE2 TYR 75 5.559 13.496 -16.386 452 HH TYR 75 HH TYR 75 6.017 12.974 -18.764 453 H GLN 76 HN GLN 76 10.624 16.714 -15.635 454 HA GLN 76 HA GLN 76 7.944 17.789 -15.572 455 HB2 GLN 76 HB2 GLN 76 9.100 18.953 -13.690 456 HB3 GLN 76 HB1 GLN 76 10.262 19.587 -14.850 457 HG2 GLN 76 HG2 GLN 76 8.439 20.719 -16.036 458 HG3 GLN 76 HG1 GLN 76 7.298 20.110 -14.839 459 HE21 GLN 76 HE21 GLN 76 7.971 22.847 -15.560 460 HE22 GLN 76 HE22 GLN 76 8.501 23.606 -14.094 Start of MODEL 19 1 H1 LYS 19 HT1 LYS 19 1.682 1.920 0.632 2 H2 LYS 19 HT2 LYS 19 2.497 0.458 0.896 3 H3 LYS 19 HT3 LYS 19 0.809 0.531 1.046 4 HA LYS 19 HA LYS 19 2.249 1.065 -1.482 5 HB2 LYS 19 HB2 LYS 19 0.952 -1.468 -0.451 6 HB3 LYS 19 HB1 LYS 19 1.370 -1.208 -2.139 7 HG2 LYS 19 HG2 LYS 19 3.710 -1.058 -1.591 8 HG3 LYS 19 HG1 LYS 19 3.347 -1.140 0.134 9 HD2 LYS 19 HD2 LYS 19 2.627 -3.328 -1.807 10 HD3 LYS 19 HD1 LYS 19 4.156 -3.285 -0.930 11 HE2 LYS 19 HE2 LYS 19 1.445 -3.240 0.391 12 HE3 LYS 19 HE1 LYS 19 2.390 -4.705 0.129 13 HZ1 LYS 19 HZ1 LYS 19 4.164 -3.744 1.484 14 HZ2 LYS 19 HZ2 LYS 19 2.718 -3.860 2.358 15 HZ3 LYS 19 HZ3 LYS 19 3.225 -2.357 1.760 16 H ASP 20 HN ASP 20 0.319 -0.053 -3.087 17 HA ASP 20 HA ASP 20 -1.545 0.521 -4.233 18 HB2 ASP 20 HB2 ASP 20 -3.663 0.155 -3.029 19 HB3 ASP 20 HB1 ASP 20 -2.485 -1.109 -2.713 20 H LYS 21 HN LYS 21 -0.186 2.831 -3.772 21 HA LYS 21 HA LYS 21 -2.394 4.703 -3.247 22 HB2 LYS 21 HB2 LYS 21 0.537 5.078 -2.624 23 HB3 LYS 21 HB1 LYS 21 -0.654 6.373 -2.563 24 HG2 LYS 21 HG2 LYS 21 -0.630 3.873 -0.884 25 HG3 LYS 21 HG1 LYS 21 -0.272 5.515 -0.343 26 HD2 LYS 21 HD2 LYS 21 -2.540 6.204 -0.785 27 HD3 LYS 21 HD1 LYS 21 -2.917 4.639 -1.505 28 HE2 LYS 21 HE2 LYS 21 -2.127 5.088 1.368 29 HE3 LYS 21 HE1 LYS 21 -3.778 4.865 0.793 30 HZ1 LYS 21 HZ1 LYS 21 -3.249 2.649 0.087 31 HZ2 LYS 21 HZ2 LYS 21 -2.758 2.828 1.700 32 HZ3 LYS 21 HZ3 LYS 21 -1.611 2.862 0.457 33 H ASP 22 HN ASP 22 -2.819 6.220 -4.712 34 HA ASP 22 HA ASP 22 -1.976 5.835 -7.371 35 HB2 ASP 22 HB2 ASP 22 -3.293 8.334 -6.297 36 HB3 ASP 22 HB1 ASP 22 -3.396 7.678 -7.925 37 H LEU 23 HN LEU 23 0.106 6.225 -7.916 38 HA LEU 23 HA LEU 23 1.516 8.529 -6.884 39 HB2 LEU 23 HB2 LEU 23 2.649 6.344 -7.322 40 HB3 LEU 23 HB1 LEU 23 2.364 6.584 -9.036 41 HG LEU 23 HG LEU 23 3.745 8.668 -8.919 42 HD11 LEU 23 HD11 LEU 23 3.485 9.117 -6.533 43 HD12 LEU 23 HD12 LEU 23 5.185 9.006 -6.987 44 HD13 LEU 23 HD13 LEU 23 4.406 7.661 -6.156 45 HD21 LEU 23 HD21 LEU 23 5.896 7.502 -8.812 46 HD22 LEU 23 HD22 LEU 23 4.702 6.577 -9.721 47 HD23 LEU 23 HD23 LEU 23 5.104 6.114 -8.069 48 H LEU 24 HN LEU 24 0.051 7.487 -9.902 49 HA LEU 24 HA LEU 24 0.461 10.193 -10.994 50 HB2 LEU 24 HB2 LEU 24 0.525 7.554 -12.474 51 HB3 LEU 24 HB1 LEU 24 0.621 9.135 -13.227 52 HG LEU 24 HG LEU 24 2.653 8.096 -11.255 53 HD11 LEU 24 HD11 LEU 24 4.078 7.708 -13.236 54 HD12 LEU 24 HD12 LEU 24 2.685 8.039 -14.267 55 HD13 LEU 24 HD13 LEU 24 2.667 6.650 -13.181 56 HD21 LEU 24 HD21 LEU 24 2.694 10.418 -13.182 57 HD22 LEU 24 HD22 LEU 24 4.048 9.897 -12.178 58 HD23 LEU 24 HD23 LEU 24 2.580 10.520 -11.424 59 H LYS 25 HN LYS 25 -1.274 11.062 -12.162 60 HA LYS 25 HA LYS 25 -3.764 9.496 -12.022 61 HB2 LYS 25 HB2 LYS 25 -3.291 12.430 -11.553 62 HB3 LYS 25 HB1 LYS 25 -4.876 11.826 -12.001 63 HG2 LYS 25 HG2 LYS 25 -4.882 12.048 -9.658 64 HG3 LYS 25 HG1 LYS 25 -4.749 10.322 -9.986 65 HD2 LYS 25 HD2 LYS 25 -2.393 10.356 -9.501 66 HD3 LYS 25 HD1 LYS 25 -2.409 12.116 -9.356 67 HE2 LYS 25 HE2 LYS 25 -3.905 11.938 -7.424 68 HE3 LYS 25 HE1 LYS 25 -3.882 10.181 -7.568 69 HZ1 LYS 25 HZ1 LYS 25 -1.654 10.089 -6.924 70 HZ2 LYS 25 HZ2 LYS 25 -2.324 11.241 -5.881 71 HZ3 LYS 25 HZ3 LYS 25 -1.393 11.737 -7.208 72 H GLY 26 HN GLY 26 -4.378 8.868 -13.987 73 HA2 GLY 26 HA2 GLY 26 -5.428 9.398 -16.030 74 HA3 GLY 26 HA1 GLY 26 -4.578 10.934 -16.048 75 H LEU 27 HN LEU 27 -2.036 9.320 -15.386 76 HA LEU 27 HA LEU 27 -1.153 9.122 -18.077 77 HB2 LEU 27 HB2 LEU 27 0.113 8.323 -15.465 78 HB3 LEU 27 HB1 LEU 27 0.891 8.014 -17.004 79 HG LEU 27 HG LEU 27 0.650 10.539 -17.430 80 HD11 LEU 27 HD11 LEU 27 0.593 11.929 -15.418 81 HD12 LEU 27 HD12 LEU 27 0.260 10.498 -14.442 82 HD13 LEU 27 HD13 LEU 27 -0.913 11.041 -15.642 83 HD21 LEU 27 HD21 LEU 27 2.723 11.006 -16.237 84 HD22 LEU 27 HD22 LEU 27 2.773 9.420 -17.008 85 HD23 LEU 27 HD23 LEU 27 2.502 9.549 -15.270 86 H ASP 28 HN ASP 28 -0.702 7.366 -19.332 87 HA ASP 28 HA ASP 28 -2.159 4.933 -18.586 88 HB2 ASP 28 HB2 ASP 28 -2.600 6.310 -20.750 89 HB3 ASP 28 HB1 ASP 28 -1.126 5.556 -21.346 90 H GLN 29 HN GLN 29 -1.123 2.965 -19.930 91 HA GLN 29 HA GLN 29 1.211 2.253 -18.534 92 HB2 GLN 29 HB2 GLN 29 -0.372 0.598 -19.355 93 HB3 GLN 29 HB1 GLN 29 -0.046 1.064 -21.016 94 HG2 GLN 29 HG2 GLN 29 2.265 0.269 -20.766 95 HG3 GLN 29 HG1 GLN 29 1.891 -0.245 -19.121 96 HE21 GLN 29 HE21 GLN 29 2.762 -1.799 -21.446 97 HE22 GLN 29 HE22 GLN 29 1.549 -3.011 -21.683 98 H GLU 30 HN GLU 30 0.681 3.300 -21.853 99 HA GLU 30 HA GLU 30 3.322 3.047 -22.765 100 HB2 GLU 30 HB2 GLU 30 2.551 4.681 -24.546 101 HB3 GLU 30 HB1 GLU 30 1.617 3.201 -24.388 102 HG2 GLU 30 HG2 GLU 30 0.032 4.554 -22.919 103 HG3 GLU 30 HG1 GLU 30 0.880 5.975 -23.524 104 H GLN 31 HN GLN 31 1.751 5.556 -20.927 105 HA GLN 31 HA GLN 31 3.907 7.453 -21.356 106 HB2 GLN 31 HB2 GLN 31 1.491 7.619 -19.542 107 HB3 GLN 31 HB1 GLN 31 2.618 8.930 -19.861 108 HG2 GLN 31 HG2 GLN 31 0.811 7.604 -21.872 109 HG3 GLN 31 HG1 GLN 31 0.592 9.201 -21.158 110 HE21 GLN 31 HE21 GLN 31 1.875 10.905 -21.841 111 HE22 GLN 31 HE22 GLN 31 2.850 10.810 -23.268 112 H ALA 32 HN ALA 32 2.900 5.098 -19.034 113 HA ALA 32 HA ALA 32 4.373 6.026 -16.802 114 HB1 ALA 32 HB1 ALA 32 3.963 3.822 -15.857 115 HB2 ALA 32 HB2 ALA 32 3.446 3.227 -17.435 116 HB3 ALA 32 HB3 ALA 32 2.499 4.462 -16.604 117 H ASN 33 HN ASN 33 5.305 4.424 -19.669 118 HA ASN 33 HA ASN 33 7.448 2.854 -18.945 119 HB2 ASN 33 HB2 ASN 33 6.581 2.999 -21.241 120 HB3 ASN 33 HB1 ASN 33 7.234 4.628 -21.391 121 HD21 ASN 33 HD21 ASN 33 9.423 4.914 -21.717 122 HD22 ASN 33 HD22 ASN 33 10.492 3.599 -22.084 123 H GLU 34 HN GLU 34 7.425 6.366 -19.476 124 HA GLU 34 HA GLU 34 10.231 6.690 -19.105 125 HB2 GLU 34 HB2 GLU 34 8.038 8.751 -18.795 126 HB3 GLU 34 HB1 GLU 34 9.752 9.082 -19.006 127 HG2 GLU 34 HG2 GLU 34 7.883 7.847 -21.014 128 HG3 GLU 34 HG1 GLU 34 8.617 9.449 -21.078 129 H VAL 35 HN VAL 35 7.443 6.758 -17.013 130 HA VAL 35 HA VAL 35 8.723 7.943 -14.766 131 HB VAL 35 HB VAL 35 6.183 6.316 -14.966 132 HG11 VAL 35 HG11 VAL 35 7.216 7.985 -12.671 133 HG12 VAL 35 HG12 VAL 35 7.043 6.230 -12.685 134 HG13 VAL 35 HG13 VAL 35 5.612 7.258 -12.767 135 HG21 VAL 35 HG21 VAL 35 6.142 8.406 -16.229 136 HG22 VAL 35 HG22 VAL 35 6.647 9.293 -14.789 137 HG23 VAL 35 HG23 VAL 35 5.075 8.494 -14.827 138 H ILE 36 HN ILE 36 7.930 4.575 -15.636 139 HA ILE 36 HA ILE 36 9.029 3.518 -13.228 140 HB ILE 36 HB ILE 36 7.346 2.290 -14.550 141 HG12 ILE 36 HG12 ILE 36 9.949 0.772 -14.260 142 HG13 ILE 36 HG11 ILE 36 8.842 1.131 -12.940 143 HG21 ILE 36 HG21 ILE 36 8.048 1.046 -16.559 144 HG22 ILE 36 HG22 ILE 36 9.591 1.899 -16.522 145 HG23 ILE 36 HG23 ILE 36 8.096 2.793 -16.790 146 HD11 ILE 36 HD11 ILE 36 7.107 -0.192 -14.065 147 HD12 ILE 36 HD12 ILE 36 8.548 -1.139 -13.695 148 HD13 ILE 36 HD13 ILE 36 8.258 -0.582 -15.345 149 H ALA 37 HN ALA 37 10.372 4.431 -16.295 150 HA ALA 37 HA ALA 37 12.769 2.934 -16.156 151 HB1 ALA 37 HB1 ALA 37 12.273 5.557 -17.564 152 HB2 ALA 37 HB2 ALA 37 11.983 3.952 -18.237 153 HB3 ALA 37 HB3 ALA 37 13.626 4.462 -17.849 154 H VAL 38 HN VAL 38 12.086 6.343 -15.322 155 HA VAL 38 HA VAL 38 14.672 6.873 -14.313 156 HB VAL 38 HB VAL 38 13.072 8.654 -14.974 157 HG11 VAL 38 HG11 VAL 38 11.028 7.776 -14.029 158 HG12 VAL 38 HG12 VAL 38 11.351 9.386 -13.392 159 HG13 VAL 38 HG13 VAL 38 11.673 7.966 -12.398 160 HG21 VAL 38 HG21 VAL 38 14.105 8.854 -12.150 161 HG22 VAL 38 HG22 VAL 38 13.630 10.214 -13.165 162 HG23 VAL 38 HG23 VAL 38 15.006 9.212 -13.622 163 H LEU 39 HN LEU 39 11.830 5.433 -12.922 164 HA LEU 39 HA LEU 39 12.611 5.597 -10.197 165 HB2 LEU 39 HB2 LEU 39 10.316 4.979 -11.361 166 HB3 LEU 39 HB1 LEU 39 10.938 3.346 -11.222 167 HG LEU 39 HG LEU 39 11.221 3.758 -8.761 168 HD11 LEU 39 HD11 LEU 39 9.566 6.198 -9.376 169 HD12 LEU 39 HD12 LEU 39 11.238 6.191 -8.816 170 HD13 LEU 39 HD13 LEU 39 9.955 5.592 -7.765 171 HD21 LEU 39 HD21 LEU 39 8.842 3.459 -8.255 172 HD22 LEU 39 HD22 LEU 39 9.359 2.466 -9.617 173 HD23 LEU 39 HD23 LEU 39 8.440 3.944 -9.903 174 H GLN 40 HN GLN 40 12.832 3.021 -12.641 175 HA GLN 40 HA GLN 40 14.179 1.125 -11.074 176 HB2 GLN 40 HB2 GLN 40 13.148 0.490 -13.167 177 HB3 GLN 40 HB1 GLN 40 14.199 1.577 -14.062 178 HG2 GLN 40 HG2 GLN 40 14.921 -0.714 -14.331 179 HG3 GLN 40 HG1 GLN 40 16.133 0.220 -13.458 180 HE21 GLN 40 HE21 GLN 40 17.074 -1.538 -12.505 181 HE22 GLN 40 HE22 GLN 40 16.292 -2.486 -11.281 182 H MET 41 HN MET 41 15.334 3.929 -12.800 183 HA MET 41 HA MET 41 18.078 3.323 -12.869 184 HB2 MET 41 HB2 MET 41 16.668 5.988 -12.699 185 HB3 MET 41 HB1 MET 41 18.396 5.813 -12.967 186 HG2 MET 41 HG2 MET 41 17.977 4.622 -15.037 187 HG3 MET 41 HG1 MET 41 16.240 4.723 -14.758 188 HE1 MET 41 HE1 MET 41 18.952 7.501 -14.055 189 HE2 MET 41 HE2 MET 41 18.929 8.386 -15.584 190 HE3 MET 41 HE3 MET 41 19.523 6.728 -15.536 191 H HIS 42 HN HIS 42 16.048 4.105 -10.224 192 HA HIS 42 HA HIS 42 18.387 4.675 -8.535 193 HB2 HIS 42 HB2 HIS 42 15.441 5.186 -8.131 194 HB3 HIS 42 HB1 HIS 42 16.608 5.304 -6.816 195 HD1 HIS 42 HD1 HIS 42 18.347 7.239 -6.936 196 HD2 HIS 42 HD2 HIS 42 15.445 7.313 -9.922 197 HE1 HIS 42 HE1 HIS 42 18.510 9.517 -7.993 198 HE2 HIS 42 HE2 HIS 42 16.593 9.619 -9.623 199 H ASN 43 HN ASN 43 16.833 2.088 -9.587 200 HA ASN 43 HA ASN 43 16.674 -0.074 -8.938 201 HB2 ASN 43 HB2 ASN 43 18.633 0.855 -6.834 202 HB3 ASN 43 HB1 ASN 43 18.205 -0.831 -7.103 203 HD21 ASN 43 HD21 ASN 43 18.925 -1.878 -8.939 204 HD22 ASN 43 HD22 ASN 43 20.195 -1.231 -9.930 205 H ILE 44 HN ILE 44 14.854 1.961 -7.769 206 HA ILE 44 HA ILE 44 14.199 0.853 -5.163 207 HB ILE 44 HB ILE 44 14.050 3.284 -5.483 208 HG12 ILE 44 HG12 ILE 44 11.342 1.995 -5.072 209 HG13 ILE 44 HG11 ILE 44 12.564 2.241 -3.828 210 HG21 ILE 44 HG21 ILE 44 11.932 2.617 -7.503 211 HG22 ILE 44 HG22 ILE 44 13.501 3.358 -7.820 212 HG23 ILE 44 HG23 ILE 44 12.281 4.237 -6.898 213 HD11 ILE 44 HD11 ILE 44 11.103 4.398 -5.332 214 HD12 ILE 44 HD12 ILE 44 12.345 4.662 -4.107 215 HD13 ILE 44 HD13 ILE 44 10.816 3.903 -3.664 216 H GLU 45 HN GLU 45 12.156 -0.132 -4.711 217 HA GLU 45 HA GLU 45 11.362 -2.098 -6.515 218 HB2 GLU 45 HB2 GLU 45 10.989 -2.146 -4.050 219 HB3 GLU 45 HB1 GLU 45 9.712 -0.956 -4.251 220 HG2 GLU 45 HG2 GLU 45 8.844 -3.232 -4.022 221 HG3 GLU 45 HG1 GLU 45 8.417 -2.509 -5.573 222 H ALA 46 HN ALA 46 9.581 -2.357 -7.862 223 HA ALA 46 HA ALA 46 8.030 0.058 -8.473 224 HB1 ALA 46 HB1 ALA 46 9.941 0.063 -9.999 225 HB2 ALA 46 HB2 ALA 46 8.432 -0.207 -10.868 226 HB3 ALA 46 HB3 ALA 46 9.517 -1.558 -10.544 227 H ASN 47 HN ASN 47 5.952 -0.426 -8.513 228 HA ASN 47 HA ASN 47 5.103 -3.071 -9.480 229 HB2 ASN 47 HB2 ASN 47 5.090 -2.911 -6.953 230 HB3 ASN 47 HB1 ASN 47 3.880 -1.645 -7.109 231 HD21 ASN 47 HD21 ASN 47 4.549 -5.034 -7.576 232 HD22 ASN 47 HD22 ASN 47 2.891 -5.545 -7.637 233 H LYS 48 HN LYS 48 3.334 -3.023 -10.842 234 HA LYS 48 HA LYS 48 2.456 -0.338 -11.602 235 HB2 LYS 48 HB2 LYS 48 1.787 -2.943 -12.973 236 HB3 LYS 48 HB1 LYS 48 1.541 -1.328 -13.606 237 HG2 LYS 48 HG2 LYS 48 3.419 -1.894 -14.739 238 HG3 LYS 48 HG1 LYS 48 4.159 -1.185 -13.302 239 HD2 LYS 48 HD2 LYS 48 5.248 -3.281 -13.839 240 HD3 LYS 48 HD1 LYS 48 4.358 -3.437 -12.325 241 HE2 LYS 48 HE2 LYS 48 2.478 -4.448 -13.629 242 HE3 LYS 48 HE1 LYS 48 3.526 -4.437 -15.043 243 HZ1 LYS 48 HZ1 LYS 48 4.265 -5.794 -12.515 244 HZ2 LYS 48 HZ2 LYS 48 4.978 -5.983 -14.043 245 HZ3 LYS 48 HZ3 LYS 48 3.421 -6.577 -13.756 246 H ILE 49 HN ILE 49 0.610 0.474 -10.853 247 HA ILE 49 HA ILE 49 -1.553 -1.418 -10.193 248 HB ILE 49 HB ILE 49 -2.543 0.571 -8.914 249 HG12 ILE 49 HG12 ILE 49 0.342 1.476 -9.004 250 HG13 ILE 49 HG11 ILE 49 -0.997 2.276 -9.823 251 HG21 ILE 49 HG21 ILE 49 -0.063 -0.805 -7.910 252 HG22 ILE 49 HG22 ILE 49 -1.718 -1.404 -7.809 253 HG23 ILE 49 HG23 ILE 49 -1.239 0.029 -6.899 254 HD11 ILE 49 HD11 ILE 49 -2.032 2.757 -7.675 255 HD12 ILE 49 HD12 ILE 49 -0.397 3.413 -7.759 256 HD13 ILE 49 HD13 ILE 49 -0.708 1.935 -6.848 257 H ASP 50 HN ASP 50 -2.947 -1.557 -11.797 258 HA ASP 50 HA ASP 50 -3.560 0.873 -13.331 259 HB2 ASP 50 HB2 ASP 50 -4.099 -0.455 -15.187 260 HB3 ASP 50 HB1 ASP 50 -2.685 -1.249 -14.508 261 H SER 51 HN SER 51 -5.612 1.581 -13.516 262 HA SER 51 HA SER 51 -7.880 0.054 -12.642 263 HB2 SER 51 HB2 SER 51 -6.977 2.439 -11.000 264 HB3 SER 51 HB1 SER 51 -8.577 1.708 -10.888 265 HG SER 51 HG SER 51 -6.543 -0.112 -10.673 266 H GLY 52 HN GLY 52 -9.821 0.955 -13.370 267 HA2 GLY 52 HA2 GLY 52 -9.682 2.659 -15.607 268 HA3 GLY 52 HA1 GLY 52 -11.154 2.220 -14.751 269 H LYS 53 HN LYS 53 -10.009 3.379 -12.234 270 HA LYS 53 HA LYS 53 -10.855 6.110 -12.753 271 HB2 LYS 53 HB2 LYS 53 -10.983 6.309 -10.307 272 HB3 LYS 53 HB1 LYS 53 -11.891 4.926 -10.897 273 HG2 LYS 53 HG2 LYS 53 -10.863 3.950 -9.126 274 HG3 LYS 53 HG1 LYS 53 -9.621 3.667 -10.345 275 HD2 LYS 53 HD2 LYS 53 -8.386 5.612 -9.580 276 HD3 LYS 53 HD1 LYS 53 -9.659 5.996 -8.422 277 HE2 LYS 53 HE2 LYS 53 -9.237 3.783 -7.340 278 HE3 LYS 53 HE1 LYS 53 -7.858 3.576 -8.417 279 HZ1 LYS 53 HZ1 LYS 53 -7.305 4.456 -6.172 280 HZ2 LYS 53 HZ2 LYS 53 -8.159 5.868 -6.551 281 HZ3 LYS 53 HZ3 LYS 53 -6.772 5.450 -7.441 282 H LEU 54 HN LEU 54 -7.992 4.469 -12.703 283 HA LEU 54 HA LEU 54 -6.485 6.690 -11.487 284 HB2 LEU 54 HB2 LEU 54 -6.471 4.555 -10.228 285 HB3 LEU 54 HB1 LEU 54 -5.775 3.755 -11.617 286 HG LEU 54 HG LEU 54 -4.348 6.018 -10.230 287 HD11 LEU 54 HD11 LEU 54 -3.116 4.295 -8.977 288 HD12 LEU 54 HD12 LEU 54 -4.213 3.066 -9.608 289 HD13 LEU 54 HD13 LEU 54 -4.826 4.332 -8.542 290 HD21 LEU 54 HD21 LEU 54 -3.372 3.696 -11.891 291 HD22 LEU 54 HD22 LEU 54 -2.376 4.977 -11.203 292 HD23 LEU 54 HD23 LEU 54 -3.553 5.353 -12.460 293 H GLY 55 HN GLY 55 -6.391 4.187 -13.998 294 HA2 GLY 55 HA2 GLY 55 -5.371 4.474 -16.135 295 HA3 GLY 55 HA1 GLY 55 -4.364 5.749 -15.446 296 H TYR 56 HN TYR 56 -2.307 5.096 -15.438 297 HA TYR 56 HA TYR 56 -1.733 2.515 -14.145 298 HB2 TYR 56 HB2 TYR 56 -0.658 3.594 -16.709 299 HB3 TYR 56 HB1 TYR 56 0.438 2.694 -15.669 300 HD1 TYR 56 HD1 TYR 56 -2.750 2.467 -17.548 301 HD2 TYR 56 HD2 TYR 56 0.346 0.340 -15.548 302 HE1 TYR 56 HE1 TYR 56 -3.621 0.354 -18.456 303 HE2 TYR 56 HE2 TYR 56 -0.517 -1.779 -16.445 304 HH TYR 56 HH TYR 56 -2.854 -1.898 -18.940 305 H SER 57 HN SER 57 -0.722 2.850 -12.307 306 HA SER 57 HA SER 57 1.253 5.032 -12.176 307 HB2 SER 57 HB2 SER 57 -0.671 4.088 -10.056 308 HB3 SER 57 HB1 SER 57 0.764 5.038 -9.675 309 HG SER 57 HG SER 57 -1.188 5.851 -11.559 310 H ILE 58 HN ILE 58 2.956 4.682 -10.587 311 HA ILE 58 HA ILE 58 3.684 1.840 -10.403 312 HB ILE 58 HB ILE 58 5.623 4.116 -10.025 313 HG12 ILE 58 HG12 ILE 58 4.412 4.406 -12.212 314 HG13 ILE 58 HG11 ILE 58 6.139 4.135 -12.382 315 HG21 ILE 58 HG21 ILE 58 5.937 1.279 -11.004 316 HG22 ILE 58 HG22 ILE 58 6.298 1.857 -9.378 317 HG23 ILE 58 HG23 ILE 58 7.241 2.437 -10.752 318 HD11 ILE 58 HD11 ILE 58 4.871 2.912 -14.057 319 HD12 ILE 58 HD12 ILE 58 3.972 2.082 -12.787 320 HD13 ILE 58 HD13 ILE 58 5.703 1.798 -12.972 321 H THR 59 HN THR 59 2.897 1.205 -8.434 322 HA THR 59 HA THR 59 3.171 3.004 -6.166 323 HB THR 59 HB THR 59 1.067 1.732 -6.371 324 HG1 THR 59 HG1 THR 59 2.757 1.219 -4.143 325 HG21 THR 59 HG21 THR 59 2.813 -0.689 -5.927 326 HG22 THR 59 HG22 THR 59 1.914 -0.305 -7.395 327 HG23 THR 59 HG23 THR 59 1.051 -0.682 -5.903 328 H VAL 60 HN VAL 60 4.458 2.646 -4.424 329 HA VAL 60 HA VAL 60 6.424 0.478 -4.697 330 HB VAL 60 HB VAL 60 8.075 1.951 -3.631 331 HG11 VAL 60 HG11 VAL 60 7.962 1.813 -6.074 332 HG12 VAL 60 HG12 VAL 60 8.494 3.405 -5.535 333 HG13 VAL 60 HG13 VAL 60 6.840 3.172 -6.095 334 HG21 VAL 60 HG21 VAL 60 5.914 4.039 -3.859 335 HG22 VAL 60 HG22 VAL 60 7.599 4.375 -3.470 336 HG23 VAL 60 HG23 VAL 60 6.618 3.403 -2.374 337 H ALA 61 HN ALA 61 7.585 0.182 -2.463 338 HA ALA 61 HA ALA 61 5.603 -0.669 -0.622 339 HB1 ALA 61 HB1 ALA 61 8.583 -0.438 -0.257 340 HB2 ALA 61 HB2 ALA 61 7.722 -1.844 -0.881 341 HB3 ALA 61 HB3 ALA 61 7.480 -1.330 0.790 342 H GLU 62 HN GLU 62 5.874 -0.102 1.782 343 HA GLU 62 HA GLU 62 4.935 2.483 2.144 344 HB2 GLU 62 HB2 GLU 62 6.115 0.543 4.128 345 HB3 GLU 62 HB1 GLU 62 5.356 2.057 4.595 346 HG2 GLU 62 HG2 GLU 62 3.831 0.185 4.851 347 HG3 GLU 62 HG1 GLU 62 3.245 1.319 3.638 348 HA PRO 63 HA PRO 63 9.170 3.896 3.922 349 HB2 PRO 63 HB2 PRO 63 11.380 2.408 3.414 350 HB3 PRO 63 HB1 PRO 63 10.373 2.181 4.848 351 HG2 PRO 63 HG2 PRO 63 10.410 0.633 2.292 352 HG3 PRO 63 HG1 PRO 63 10.291 0.041 3.959 353 HD2 PRO 63 HD2 PRO 63 8.136 0.269 2.327 354 HD3 PRO 63 HD1 PRO 63 8.034 0.479 4.085 355 H ASP 64 HN ASP 64 8.811 2.465 0.813 356 HA ASP 64 HA ASP 64 10.945 4.035 -0.391 357 HB2 ASP 64 HB2 ASP 64 8.983 2.069 -1.592 358 HB3 ASP 64 HB1 ASP 64 10.253 2.886 -2.496 359 H PHE 65 HN PHE 65 7.717 4.477 0.384 360 HA PHE 65 HA PHE 65 6.619 5.623 -1.907 361 HB2 PHE 65 HB2 PHE 65 5.344 4.957 0.131 362 HB3 PHE 65 HB1 PHE 65 5.985 6.374 0.954 363 HD1 PHE 65 HD2 PHE 65 3.954 5.326 -1.960 364 HD2 PHE 65 HD1 PHE 65 4.913 8.435 0.776 365 HE1 PHE 65 HE2 PHE 65 2.093 6.669 -2.843 366 HE2 PHE 65 HE1 PHE 65 3.055 9.787 -0.101 367 HZ PHE 65 HZ PHE 65 1.642 8.905 -1.916 368 H THR 66 HN THR 66 8.367 7.181 0.760 369 HA THR 66 HA THR 66 8.038 9.814 -0.205 370 HB THR 66 HB THR 66 8.575 9.472 2.114 371 HG1 THR 66 HG1 THR 66 9.535 11.340 1.949 372 HG21 THR 66 HG21 THR 66 11.197 8.317 1.170 373 HG22 THR 66 HG22 THR 66 9.877 7.424 1.929 374 HG23 THR 66 HG23 THR 66 10.760 8.645 2.846 375 H ALA 67 HN ALA 67 10.340 7.295 -0.942 376 HA ALA 67 HA ALA 67 12.260 8.995 -2.201 377 HB1 ALA 67 HB1 ALA 67 11.821 6.032 -2.549 378 HB2 ALA 67 HB2 ALA 67 12.845 6.776 -1.319 379 HB3 ALA 67 HB3 ALA 67 13.253 6.944 -3.029 380 H ALA 68 HN ALA 68 9.629 6.917 -3.365 381 HA ALA 68 HA ALA 68 9.907 7.215 -6.102 382 HB1 ALA 68 HB1 ALA 68 8.303 5.700 -5.029 383 HB2 ALA 68 HB2 ALA 68 7.543 6.694 -6.269 384 HB3 ALA 68 HB3 ALA 68 7.315 7.083 -4.565 385 H VAL 69 HN VAL 69 8.137 9.309 -3.846 386 HA VAL 69 HA VAL 69 7.112 11.112 -5.721 387 HB VAL 69 HB VAL 69 7.905 11.695 -2.860 388 HG11 VAL 69 HG11 VAL 69 6.196 13.461 -2.987 389 HG12 VAL 69 HG12 VAL 69 5.984 13.114 -4.703 390 HG13 VAL 69 HG13 VAL 69 7.526 13.734 -4.112 391 HG21 VAL 69 HG21 VAL 69 6.400 9.797 -2.968 392 HG22 VAL 69 HG22 VAL 69 5.294 10.704 -4.003 393 HG23 VAL 69 HG23 VAL 69 5.550 11.208 -2.330 394 H TYR 70 HN TYR 70 10.218 11.047 -4.035 395 HA TYR 70 HA TYR 70 11.087 13.619 -4.823 396 HB2 TYR 70 HB2 TYR 70 12.061 12.237 -2.953 397 HB3 TYR 70 HB1 TYR 70 12.835 11.233 -4.174 398 HD1 TYR 70 HD1 TYR 70 14.557 12.288 -5.697 399 HD2 TYR 70 HD2 TYR 70 13.012 14.285 -2.276 400 HE1 TYR 70 HE1 TYR 70 16.470 13.833 -5.739 401 HE2 TYR 70 HE2 TYR 70 14.921 15.832 -2.308 402 HH TYR 70 HH TYR 70 16.943 16.193 -4.929 403 H TRP 71 HN TRP 71 11.493 10.399 -6.225 404 HA TRP 71 HA TRP 71 13.326 11.159 -8.234 405 HB2 TRP 71 HB2 TRP 71 11.360 8.867 -8.386 406 HB3 TRP 71 HB1 TRP 71 12.869 9.028 -9.274 407 HD1 TRP 71 HD1 TRP 71 11.915 6.670 -7.127 408 HE1 TRP 71 HE1 TRP 71 13.578 6.040 -5.269 409 HE3 TRP 71 HE3 TRP 71 14.857 10.863 -7.196 410 HZ2 TRP 71 HZ2 TRP 71 15.833 7.160 -4.005 411 HZ3 TRP 71 HZ3 TRP 71 16.744 10.997 -5.624 412 HH2 TRP 71 HH2 TRP 71 17.219 9.184 -4.063 413 H ILE 72 HN ILE 72 9.797 10.794 -8.258 414 HA ILE 72 HA ILE 72 9.507 11.394 -11.021 415 HB ILE 72 HB ILE 72 7.379 11.680 -8.895 416 HG12 ILE 72 HG12 ILE 72 8.328 9.462 -8.695 417 HG13 ILE 72 HG11 ILE 72 6.762 9.335 -9.488 418 HG21 ILE 72 HG21 ILE 72 6.768 12.657 -11.025 419 HG22 ILE 72 HG22 ILE 72 5.841 11.182 -10.754 420 HG23 ILE 72 HG23 ILE 72 7.213 11.172 -11.862 421 HD11 ILE 72 HD11 ILE 72 9.447 9.247 -10.841 422 HD12 ILE 72 HD12 ILE 72 7.882 9.142 -11.650 423 HD13 ILE 72 HD13 ILE 72 8.383 7.875 -10.531 424 H LYS 73 HN LYS 73 9.650 13.331 -8.127 425 HA LYS 73 HA LYS 73 8.513 15.715 -9.056 426 HB2 LYS 73 HB2 LYS 73 9.204 15.202 -6.687 427 HB3 LYS 73 HB1 LYS 73 10.867 15.498 -7.175 428 HG2 LYS 73 HG2 LYS 73 10.002 17.791 -7.968 429 HG3 LYS 73 HG1 LYS 73 8.601 17.439 -6.956 430 HD2 LYS 73 HD2 LYS 73 11.483 17.566 -6.067 431 HD3 LYS 73 HD1 LYS 73 10.221 18.744 -5.710 432 HE2 LYS 73 HE2 LYS 73 9.001 17.082 -4.425 433 HE3 LYS 73 HE1 LYS 73 10.210 15.861 -4.830 434 HZ1 LYS 73 HZ1 LYS 73 10.679 16.683 -2.658 435 HZ2 LYS 73 HZ2 LYS 73 10.600 18.293 -3.175 436 HZ3 LYS 73 HZ3 LYS 73 11.870 17.302 -3.698 437 H THR 74 HN THR 74 11.596 14.245 -9.691 438 HA THR 74 HA THR 74 12.919 16.590 -10.626 439 HB THR 74 HB THR 74 13.578 13.725 -11.334 440 HG1 THR 74 HG1 THR 74 13.377 14.541 -8.945 441 HG21 THR 74 HG21 THR 74 14.798 15.430 -12.611 442 HG22 THR 74 HG22 THR 74 15.869 14.565 -11.505 443 HG23 THR 74 HG23 THR 74 15.311 16.190 -11.103 444 H TYR 75 HN TYR 75 10.622 14.418 -11.995 445 HA TYR 75 HA TYR 75 11.389 14.934 -14.744 446 HB2 TYR 75 HB2 TYR 75 10.502 12.708 -13.964 447 HB3 TYR 75 HB1 TYR 75 8.943 13.484 -13.716 448 HD1 TYR 75 HD1 TYR 75 11.521 13.091 -16.394 449 HD2 TYR 75 HD2 TYR 75 7.388 13.331 -15.418 450 HE1 TYR 75 HE1 TYR 75 10.947 12.653 -18.743 451 HE2 TYR 75 HE2 TYR 75 6.804 12.900 -17.769 452 HH TYR 75 HH TYR 75 9.140 11.864 -20.087 453 H GLN 76 HN GLN 76 8.820 15.836 -12.505 454 HA GLN 76 HA GLN 76 7.544 17.447 -14.602 455 HB2 GLN 76 HB2 GLN 76 6.158 15.758 -13.413 456 HB3 GLN 76 HB1 GLN 76 6.464 16.605 -11.904 457 HG2 GLN 76 HG2 GLN 76 4.309 17.230 -12.671 458 HG3 GLN 76 HG1 GLN 76 5.378 18.614 -12.887 459 HE21 GLN 76 HE21 GLN 76 3.564 16.117 -14.466 460 HE22 GLN 76 HE22 GLN 76 3.621 16.791 -16.057 Start of MODEL 20 1 H1 LYS 19 HT1 LYS 19 3.851 -3.630 -0.859 2 H2 LYS 19 HT2 LYS 19 4.050 -2.391 -2.000 3 H3 LYS 19 HT3 LYS 19 3.118 -3.749 -2.383 4 HA LYS 19 HA LYS 19 1.478 -3.178 -0.763 5 HB2 LYS 19 HB2 LYS 19 3.603 -1.508 0.215 6 HB3 LYS 19 HB1 LYS 19 2.197 -0.509 -0.122 7 HG2 LYS 19 HG2 LYS 19 2.164 -2.980 1.602 8 HG3 LYS 19 HG1 LYS 19 2.293 -1.329 2.208 9 HD2 LYS 19 HD2 LYS 19 -0.002 -2.376 0.548 10 HD3 LYS 19 HD1 LYS 19 -0.014 -2.242 2.307 11 HE2 LYS 19 HE2 LYS 19 0.292 0.171 2.140 12 HE3 LYS 19 HE1 LYS 19 0.361 0.053 0.382 13 HZ1 LYS 19 HZ1 LYS 19 -1.979 -0.610 2.093 14 HZ2 LYS 19 HZ2 LYS 19 -1.922 -0.804 0.408 15 HZ3 LYS 19 HZ3 LYS 19 -1.824 0.744 1.088 16 H ASP 20 HN ASP 20 -0.298 -1.983 -1.432 17 HA ASP 20 HA ASP 20 -0.065 -0.807 -4.051 18 HB2 ASP 20 HB2 ASP 20 -2.479 -0.712 -4.035 19 HB3 ASP 20 HB1 ASP 20 -1.973 -2.279 -3.415 20 H LYS 21 HN LYS 21 0.266 1.235 -4.447 21 HA LYS 21 HA LYS 21 -1.021 3.310 -2.874 22 HB2 LYS 21 HB2 LYS 21 1.543 2.698 -2.192 23 HB3 LYS 21 HB1 LYS 21 1.836 3.836 -3.497 24 HG2 LYS 21 HG2 LYS 21 1.865 5.114 -1.538 25 HG3 LYS 21 HG1 LYS 21 0.282 5.418 -2.260 26 HD2 LYS 21 HD2 LYS 21 -0.746 3.822 -0.749 27 HD3 LYS 21 HD1 LYS 21 0.832 3.416 -0.071 28 HE2 LYS 21 HE2 LYS 21 1.064 5.745 0.702 29 HE3 LYS 21 HE1 LYS 21 -0.548 6.093 0.079 30 HZ1 LYS 21 HZ1 LYS 21 -0.697 5.663 2.409 31 HZ2 LYS 21 HZ2 LYS 21 0.148 4.198 2.261 32 HZ3 LYS 21 HZ3 LYS 21 -1.404 4.353 1.592 33 H ASP 22 HN ASP 22 -2.027 4.496 -4.473 34 HA ASP 22 HA ASP 22 -1.047 4.136 -7.164 35 HB2 ASP 22 HB2 ASP 22 -3.075 5.331 -7.893 36 HB3 ASP 22 HB1 ASP 22 -3.436 3.965 -6.852 37 H LEU 23 HN LEU 23 0.618 5.219 -7.726 38 HA LEU 23 HA LEU 23 1.309 7.789 -6.684 39 HB2 LEU 23 HB2 LEU 23 2.958 6.037 -7.298 40 HB3 LEU 23 HB1 LEU 23 2.493 6.217 -8.975 41 HG LEU 23 HG LEU 23 3.315 8.550 -8.940 42 HD11 LEU 23 HD11 LEU 23 3.044 9.016 -6.567 43 HD12 LEU 23 HD12 LEU 23 4.712 9.290 -7.075 44 HD13 LEU 23 HD13 LEU 23 4.291 7.828 -6.182 45 HD21 LEU 23 HD21 LEU 23 5.706 7.972 -8.868 46 HD22 LEU 23 HD22 LEU 23 4.752 6.778 -9.749 47 HD23 LEU 23 HD23 LEU 23 5.294 6.435 -8.106 48 H LEU 24 HN LEU 24 0.474 6.594 -9.917 49 HA LEU 24 HA LEU 24 0.116 9.326 -10.866 50 HB2 LEU 24 HB2 LEU 24 -0.038 6.696 -12.355 51 HB3 LEU 24 HB1 LEU 24 -0.116 8.289 -13.086 52 HG LEU 24 HG LEU 24 2.275 7.191 -11.609 53 HD11 LEU 24 HD11 LEU 24 1.869 5.940 -13.648 54 HD12 LEU 24 HD12 LEU 24 3.277 6.983 -13.841 55 HD13 LEU 24 HD13 LEU 24 1.736 7.437 -14.564 56 HD21 LEU 24 HD21 LEU 24 2.104 9.636 -11.560 57 HD22 LEU 24 HD22 LEU 24 1.955 9.658 -13.316 58 HD23 LEU 24 HD23 LEU 24 3.449 9.099 -12.566 59 H LYS 25 HN LYS 25 -1.840 9.344 -12.579 60 HA LYS 25 HA LYS 25 -4.104 7.739 -11.999 61 HB2 LYS 25 HB2 LYS 25 -3.795 10.234 -10.506 62 HB3 LYS 25 HB1 LYS 25 -5.298 10.165 -11.416 63 HG2 LYS 25 HG2 LYS 25 -6.033 8.248 -10.272 64 HG3 LYS 25 HG1 LYS 25 -4.428 7.917 -9.622 65 HD2 LYS 25 HD2 LYS 25 -6.113 10.318 -8.912 66 HD3 LYS 25 HD1 LYS 25 -6.006 8.845 -7.947 67 HE2 LYS 25 HE2 LYS 25 -3.746 10.726 -8.615 68 HE3 LYS 25 HE1 LYS 25 -4.537 10.551 -7.049 69 HZ1 LYS 25 HZ1 LYS 25 -2.469 9.350 -7.056 70 HZ2 LYS 25 HZ2 LYS 25 -2.917 8.485 -8.443 71 HZ3 LYS 25 HZ3 LYS 25 -3.749 8.232 -6.986 72 H GLY 26 HN GLY 26 -4.922 7.500 -13.966 73 HA2 GLY 26 HA2 GLY 26 -6.234 8.335 -15.753 74 HA3 GLY 26 HA1 GLY 26 -5.516 9.917 -15.510 75 H LEU 27 HN LEU 27 -3.172 7.499 -15.484 76 HA LEU 27 HA LEU 27 -2.465 8.148 -18.262 77 HB2 LEU 27 HB2 LEU 27 -0.760 7.277 -15.932 78 HB3 LEU 27 HB1 LEU 27 -0.168 7.308 -17.580 79 HG LEU 27 HG LEU 27 -0.805 9.803 -17.564 80 HD11 LEU 27 HD11 LEU 27 -2.161 9.798 -15.549 81 HD12 LEU 27 HD12 LEU 27 -0.769 10.862 -15.356 82 HD13 LEU 27 HD13 LEU 27 -0.774 9.270 -14.597 83 HD21 LEU 27 HD21 LEU 27 1.332 10.411 -16.578 84 HD22 LEU 27 HD22 LEU 27 1.493 8.952 -17.560 85 HD23 LEU 27 HD23 LEU 27 1.439 8.830 -15.800 86 H ASP 28 HN ASP 28 -1.834 6.517 -19.689 87 HA ASP 28 HA ASP 28 -2.701 3.820 -18.926 88 HB2 ASP 28 HB2 ASP 28 -3.489 5.061 -21.082 89 HB3 ASP 28 HB1 ASP 28 -1.905 4.625 -21.714 90 H GLN 29 HN GLN 29 -1.278 2.128 -20.325 91 HA GLN 29 HA GLN 29 1.095 2.009 -18.784 92 HB2 GLN 29 HB2 GLN 29 -0.147 0.012 -19.414 93 HB3 GLN 29 HB1 GLN 29 0.170 0.322 -21.115 94 HG2 GLN 29 HG2 GLN 29 2.488 -0.133 -20.844 95 HG3 GLN 29 HG1 GLN 29 2.334 -0.184 -19.089 96 HE21 GLN 29 HE21 GLN 29 1.680 -1.846 -22.079 97 HE22 GLN 29 HE22 GLN 29 1.376 -3.403 -21.371 98 H GLU 30 HN GLU 30 0.447 2.858 -22.134 99 HA GLU 30 HA GLU 30 3.032 2.814 -23.155 100 HB2 GLU 30 HB2 GLU 30 2.160 4.631 -24.719 101 HB3 GLU 30 HB1 GLU 30 1.286 3.106 -24.695 102 HG2 GLU 30 HG2 GLU 30 -0.426 4.068 -23.286 103 HG3 GLU 30 HG1 GLU 30 0.472 5.582 -23.188 104 H GLN 31 HN GLN 31 1.374 5.411 -21.409 105 HA GLN 31 HA GLN 31 3.710 7.125 -21.585 106 HB2 GLN 31 HB2 GLN 31 1.034 7.511 -20.230 107 HB3 GLN 31 HB1 GLN 31 2.312 8.718 -20.262 108 HG2 GLN 31 HG2 GLN 31 1.021 7.571 -22.727 109 HG3 GLN 31 HG1 GLN 31 0.503 9.059 -21.940 110 HE21 GLN 31 HE21 GLN 31 0.953 10.286 -23.753 111 HE22 GLN 31 HE22 GLN 31 2.569 10.684 -24.227 112 H ALA 32 HN ALA 32 2.234 4.921 -19.357 113 HA ALA 32 HA ALA 32 3.585 5.759 -17.010 114 HB1 ALA 32 HB1 ALA 32 2.985 3.579 -16.102 115 HB2 ALA 32 HB2 ALA 32 2.545 3.014 -17.713 116 HB3 ALA 32 HB3 ALA 32 1.611 4.298 -16.942 117 H ASN 33 HN ASN 33 4.574 4.034 -19.810 118 HA ASN 33 HA ASN 33 6.759 2.582 -18.861 119 HB2 ASN 33 HB2 ASN 33 5.879 2.382 -21.154 120 HB3 ASN 33 HB1 ASN 33 6.463 4.000 -21.526 121 HD21 ASN 33 HD21 ASN 33 7.329 0.687 -20.987 122 HD22 ASN 33 HD22 ASN 33 8.964 0.811 -21.537 123 H GLU 34 HN GLU 34 6.497 5.959 -19.853 124 HA GLU 34 HA GLU 34 9.182 6.712 -19.562 125 HB2 GLU 34 HB2 GLU 34 6.631 8.279 -19.160 126 HB3 GLU 34 HB1 GLU 34 8.231 9.007 -19.177 127 HG2 GLU 34 HG2 GLU 34 7.066 7.437 -21.459 128 HG3 GLU 34 HG1 GLU 34 6.994 9.194 -21.313 129 H VAL 35 HN VAL 35 6.564 6.441 -17.270 130 HA VAL 35 HA VAL 35 7.884 7.725 -15.103 131 HB VAL 35 HB VAL 35 5.451 5.934 -15.185 132 HG11 VAL 35 HG11 VAL 35 6.477 7.634 -12.914 133 HG12 VAL 35 HG12 VAL 35 6.439 5.871 -12.956 134 HG13 VAL 35 HG13 VAL 35 4.931 6.786 -12.947 135 HG21 VAL 35 HG21 VAL 35 5.211 8.035 -16.412 136 HG22 VAL 35 HG22 VAL 35 5.724 8.934 -14.983 137 HG23 VAL 35 HG23 VAL 35 4.210 8.030 -14.961 138 H ILE 36 HN ILE 36 7.170 4.295 -15.834 139 HA ILE 36 HA ILE 36 8.520 3.380 -13.500 140 HB ILE 36 HB ILE 36 6.730 2.083 -14.629 141 HG12 ILE 36 HG12 ILE 36 9.320 0.534 -14.461 142 HG13 ILE 36 HG11 ILE 36 8.429 1.088 -13.049 143 HG21 ILE 36 HG21 ILE 36 8.853 1.557 -16.702 144 HG22 ILE 36 HG22 ILE 36 7.339 2.428 -16.940 145 HG23 ILE 36 HG23 ILE 36 7.316 0.701 -16.582 146 HD11 ILE 36 HD11 ILE 36 6.510 -0.256 -13.746 147 HD12 ILE 36 HD12 ILE 36 7.958 -1.232 -13.504 148 HD13 ILE 36 HD13 ILE 36 7.429 -0.830 -15.138 149 H ALA 37 HN ALA 37 9.584 4.291 -16.646 150 HA ALA 37 HA ALA 37 11.954 2.825 -16.870 151 HB1 ALA 37 HB1 ALA 37 11.038 4.180 -18.692 152 HB2 ALA 37 HB2 ALA 37 12.725 4.583 -18.366 153 HB3 ALA 37 HB3 ALA 37 11.439 5.647 -17.797 154 H VAL 38 HN VAL 38 11.339 5.961 -15.304 155 HA VAL 38 HA VAL 38 14.064 6.337 -14.562 156 HB VAL 38 HB VAL 38 12.388 8.196 -14.832 157 HG11 VAL 38 HG11 VAL 38 10.515 7.269 -13.633 158 HG12 VAL 38 HG12 VAL 38 11.005 8.793 -12.895 159 HG13 VAL 38 HG13 VAL 38 11.439 7.263 -12.132 160 HG21 VAL 38 HG21 VAL 38 13.297 9.546 -12.980 161 HG22 VAL 38 HG22 VAL 38 14.536 8.612 -13.818 162 HG23 VAL 38 HG23 VAL 38 13.939 8.074 -12.250 163 H LEU 39 HN LEU 39 11.305 4.806 -13.066 164 HA LEU 39 HA LEU 39 12.442 4.538 -10.475 165 HB2 LEU 39 HB2 LEU 39 10.133 3.331 -11.915 166 HB3 LEU 39 HB1 LEU 39 10.735 2.491 -10.500 167 HG LEU 39 HG LEU 39 10.392 4.564 -9.174 168 HD11 LEU 39 HD11 LEU 39 10.512 6.181 -11.009 169 HD12 LEU 39 HD12 LEU 39 9.036 6.360 -10.062 170 HD13 LEU 39 HD13 LEU 39 8.982 5.569 -11.637 171 HD21 LEU 39 HD21 LEU 39 8.734 2.814 -9.133 172 HD22 LEU 39 HD22 LEU 39 7.975 3.463 -10.585 173 HD23 LEU 39 HD23 LEU 39 7.947 4.390 -9.087 174 H GLN 40 HN GLN 40 12.178 2.319 -13.238 175 HA GLN 40 HA GLN 40 13.542 0.174 -12.018 176 HB2 GLN 40 HB2 GLN 40 12.080 -0.027 -14.016 177 HB3 GLN 40 HB1 GLN 40 13.306 0.799 -14.965 178 HG2 GLN 40 HG2 GLN 40 14.873 -1.011 -14.549 179 HG3 GLN 40 HG1 GLN 40 13.671 -1.837 -13.558 180 HE21 GLN 40 HE21 GLN 40 14.603 -0.935 -16.776 181 HE22 GLN 40 HE22 GLN 40 13.519 -1.998 -17.604 182 H MET 41 HN MET 41 14.640 2.911 -13.928 183 HA MET 41 HA MET 41 17.276 2.106 -14.400 184 HB2 MET 41 HB2 MET 41 16.252 4.029 -15.508 185 HB3 MET 41 HB1 MET 41 16.179 4.894 -13.979 186 HG2 MET 41 HG2 MET 41 18.619 4.908 -13.871 187 HG3 MET 41 HG1 MET 41 18.691 4.035 -15.398 188 HE1 MET 41 HE1 MET 41 16.351 5.355 -17.048 189 HE2 MET 41 HE2 MET 41 17.949 5.059 -17.734 190 HE3 MET 41 HE3 MET 41 17.198 6.645 -17.902 191 H HIS 42 HN HIS 42 15.830 3.716 -11.601 192 HA HIS 42 HA HIS 42 18.408 3.992 -10.306 193 HB2 HIS 42 HB2 HIS 42 15.604 4.741 -9.516 194 HB3 HIS 42 HB1 HIS 42 16.924 4.799 -8.353 195 HD1 HIS 42 HD1 HIS 42 18.323 6.892 -8.350 196 HD2 HIS 42 HD2 HIS 42 16.041 6.509 -11.807 197 HE1 HIS 42 HE1 HIS 42 18.629 9.041 -9.606 198 HE2 HIS 42 HE2 HIS 42 17.453 8.679 -11.800 199 H ASN 43 HN ASN 43 16.338 1.495 -10.752 200 HA ASN 43 HA ASN 43 16.174 -0.594 -9.898 201 HB2 ASN 43 HB2 ASN 43 18.655 -0.449 -9.951 202 HB3 ASN 43 HB1 ASN 43 18.632 0.155 -8.299 203 HD21 ASN 43 HD21 ASN 43 19.778 -1.506 -7.438 204 HD22 ASN 43 HD22 ASN 43 19.166 -3.125 -7.304 205 H ILE 44 HN ILE 44 14.370 0.962 -8.831 206 HA ILE 44 HA ILE 44 14.462 0.520 -5.927 207 HB ILE 44 HB ILE 44 13.917 2.825 -6.691 208 HG12 ILE 44 HG12 ILE 44 11.608 1.430 -5.313 209 HG13 ILE 44 HG11 ILE 44 13.082 1.969 -4.519 210 HG21 ILE 44 HG21 ILE 44 12.774 2.344 -8.751 211 HG22 ILE 44 HG22 ILE 44 11.693 3.246 -7.689 212 HG23 ILE 44 HG23 ILE 44 11.487 1.505 -7.887 213 HD11 ILE 44 HD11 ILE 44 11.082 3.753 -5.891 214 HD12 ILE 44 HD12 ILE 44 12.540 4.277 -5.048 215 HD13 ILE 44 HD13 ILE 44 11.229 3.507 -4.151 216 H GLU 45 HN GLU 45 12.755 -0.588 -4.898 217 HA GLU 45 HA GLU 45 11.636 -2.749 -6.344 218 HB2 GLU 45 HB2 GLU 45 12.208 -2.714 -3.880 219 HB3 GLU 45 HB1 GLU 45 10.770 -1.741 -3.629 220 HG2 GLU 45 HG2 GLU 45 10.568 -4.395 -4.987 221 HG3 GLU 45 HG1 GLU 45 10.690 -4.298 -3.234 222 H ALA 46 HN ALA 46 10.249 -2.271 -7.925 223 HA ALA 46 HA ALA 46 7.987 -0.501 -7.297 224 HB1 ALA 46 HB1 ALA 46 7.861 0.041 -9.663 225 HB2 ALA 46 HB2 ALA 46 9.214 -1.043 -10.001 226 HB3 ALA 46 HB3 ALA 46 9.466 0.409 -9.028 227 H ASN 47 HN ASN 47 5.951 -1.159 -7.778 228 HA ASN 47 HA ASN 47 5.623 -3.890 -8.838 229 HB2 ASN 47 HB2 ASN 47 5.344 -3.640 -6.312 230 HB3 ASN 47 HB1 ASN 47 3.921 -2.666 -6.660 231 HD21 ASN 47 HD21 ASN 47 5.303 -5.837 -6.710 232 HD22 ASN 47 HD22 ASN 47 3.830 -6.702 -6.998 233 H LYS 48 HN LYS 48 3.518 -4.258 -9.884 234 HA LYS 48 HA LYS 48 2.687 -1.815 -11.275 235 HB2 LYS 48 HB2 LYS 48 3.517 -3.792 -12.562 236 HB3 LYS 48 HB1 LYS 48 2.123 -4.697 -11.991 237 HG2 LYS 48 HG2 LYS 48 0.633 -3.138 -13.125 238 HG3 LYS 48 HG1 LYS 48 2.027 -2.206 -13.677 239 HD2 LYS 48 HD2 LYS 48 2.846 -4.222 -14.865 240 HD3 LYS 48 HD1 LYS 48 1.367 -5.063 -14.396 241 HE2 LYS 48 HE2 LYS 48 0.037 -3.426 -15.610 242 HE3 LYS 48 HE1 LYS 48 1.495 -2.536 -16.037 243 HZ1 LYS 48 HZ1 LYS 48 0.953 -3.837 -17.897 244 HZ2 LYS 48 HZ2 LYS 48 0.668 -5.225 -16.968 245 HZ3 LYS 48 HZ3 LYS 48 2.249 -4.644 -17.158 246 H ILE 49 HN ILE 49 0.806 -0.876 -10.819 247 HA ILE 49 HA ILE 49 -1.299 -2.507 -9.562 248 HB ILE 49 HB ILE 49 -2.159 -0.255 -8.692 249 HG12 ILE 49 HG12 ILE 49 0.712 0.520 -9.249 250 HG13 ILE 49 HG11 ILE 49 -0.694 1.150 -10.099 251 HG21 ILE 49 HG21 ILE 49 0.387 -1.450 -7.619 252 HG22 ILE 49 HG22 ILE 49 -1.266 -1.925 -7.217 253 HG23 ILE 49 HG23 ILE 49 -0.659 -0.340 -6.733 254 HD11 ILE 49 HD11 ILE 49 -1.508 2.125 -8.010 255 HD12 ILE 49 HD12 ILE 49 0.093 2.725 -8.441 256 HD13 ILE 49 HD13 ILE 49 -0.082 1.511 -7.176 257 H ASP 50 HN ASP 50 -2.846 -2.944 -10.940 258 HA ASP 50 HA ASP 50 -3.725 -0.854 -12.824 259 HB2 ASP 50 HB2 ASP 50 -3.030 -2.920 -13.944 260 HB3 ASP 50 HB1 ASP 50 -4.146 -3.852 -12.949 261 H SER 51 HN SER 51 -5.756 -0.049 -12.646 262 HA SER 51 HA SER 51 -7.846 -1.460 -11.242 263 HB2 SER 51 HB2 SER 51 -6.813 1.150 -10.091 264 HB3 SER 51 HB1 SER 51 -8.219 0.251 -9.525 265 HG SER 51 HG SER 51 -6.156 -1.418 -9.572 266 H GLY 52 HN GLY 52 -9.925 -0.454 -11.512 267 HA2 GLY 52 HA2 GLY 52 -10.281 0.796 -13.999 268 HA3 GLY 52 HA1 GLY 52 -11.505 0.664 -12.747 269 H LYS 53 HN LYS 53 -10.374 2.185 -10.730 270 HA LYS 53 HA LYS 53 -10.965 4.836 -11.523 271 HB2 LYS 53 HB2 LYS 53 -11.147 3.995 -9.183 272 HB3 LYS 53 HB1 LYS 53 -9.392 3.915 -9.103 273 HG2 LYS 53 HG2 LYS 53 -9.682 6.478 -9.833 274 HG3 LYS 53 HG1 LYS 53 -11.196 6.248 -8.957 275 HD2 LYS 53 HD2 LYS 53 -9.711 7.002 -7.314 276 HD3 LYS 53 HD1 LYS 53 -9.727 5.253 -7.086 277 HE2 LYS 53 HE2 LYS 53 -7.639 5.036 -8.287 278 HE3 LYS 53 HE1 LYS 53 -7.650 6.750 -8.688 279 HZ1 LYS 53 HZ1 LYS 53 -7.528 7.215 -6.261 280 HZ2 LYS 53 HZ2 LYS 53 -6.158 6.426 -6.874 281 HZ3 LYS 53 HZ3 LYS 53 -7.307 5.553 -5.987 282 H LEU 54 HN LEU 54 -8.105 2.977 -11.758 283 HA LEU 54 HA LEU 54 -6.378 5.326 -11.478 284 HB2 LEU 54 HB2 LEU 54 -6.049 3.365 -9.997 285 HB3 LEU 54 HB1 LEU 54 -5.668 2.401 -11.411 286 HG LEU 54 HG LEU 54 -3.719 3.856 -11.846 287 HD11 LEU 54 HD11 LEU 54 -4.499 5.115 -9.223 288 HD12 LEU 54 HD12 LEU 54 -4.545 5.887 -10.807 289 HD13 LEU 54 HD13 LEU 54 -3.001 5.416 -10.100 290 HD21 LEU 54 HD21 LEU 54 -2.364 3.049 -9.960 291 HD22 LEU 54 HD22 LEU 54 -3.433 1.794 -10.590 292 HD23 LEU 54 HD23 LEU 54 -3.841 2.631 -9.090 293 H GLY 55 HN GLY 55 -6.850 2.496 -13.577 294 HA2 GLY 55 HA2 GLY 55 -6.347 2.352 -15.869 295 HA3 GLY 55 HA1 GLY 55 -5.491 3.889 -15.755 296 H TYR 56 HN TYR 56 -3.333 3.821 -15.702 297 HA TYR 56 HA TYR 56 -2.057 1.388 -14.653 298 HB2 TYR 56 HB2 TYR 56 -1.460 2.880 -17.185 299 HB3 TYR 56 HB1 TYR 56 -0.179 2.005 -16.351 300 HD1 TYR 56 HD2 TYR 56 -0.408 -0.453 -16.002 301 HD2 TYR 56 HD1 TYR 56 -3.071 1.728 -18.500 302 HE1 TYR 56 HE2 TYR 56 -1.111 -2.548 -17.069 303 HE2 TYR 56 HE1 TYR 56 -3.786 -0.366 -19.571 304 HH TYR 56 HH TYR 56 -2.769 -2.686 -19.945 305 H SER 57 HN SER 57 -0.724 1.773 -13.033 306 HA SER 57 HA SER 57 0.891 4.183 -13.019 307 HB2 SER 57 HB2 SER 57 -0.967 3.486 -10.734 308 HB3 SER 57 HB1 SER 57 0.261 4.755 -10.697 309 HG SER 57 HG SER 57 -1.397 4.924 -12.867 310 H ILE 58 HN ILE 58 2.415 4.111 -11.066 311 HA ILE 58 HA ILE 58 3.332 1.332 -10.743 312 HB ILE 58 HB ILE 58 5.115 3.727 -10.361 313 HG12 ILE 58 HG12 ILE 58 4.040 3.935 -12.609 314 HG13 ILE 58 HG11 ILE 58 5.772 3.669 -12.694 315 HG21 ILE 58 HG21 ILE 58 5.871 1.511 -9.627 316 HG22 ILE 58 HG22 ILE 58 6.861 2.141 -10.941 317 HG23 ILE 58 HG23 ILE 58 5.653 0.897 -11.266 318 HD11 ILE 58 HD11 ILE 58 3.651 1.574 -13.110 319 HD12 ILE 58 HD12 ILE 58 5.394 1.326 -13.236 320 HD13 ILE 58 HD13 ILE 58 4.568 2.387 -14.380 321 H THR 59 HN THR 59 3.816 0.615 -8.680 322 HA THR 59 HA THR 59 3.483 2.567 -6.505 323 HB THR 59 HB THR 59 1.489 1.074 -6.686 324 HG1 THR 59 HG1 THR 59 2.542 0.198 -4.305 325 HG21 THR 59 HG21 THR 59 3.457 -1.099 -5.954 326 HG22 THR 59 HG22 THR 59 2.605 -0.949 -7.492 327 HG23 THR 59 HG23 THR 59 1.702 -1.272 -6.011 328 H VAL 60 HN VAL 60 4.605 2.018 -4.547 329 HA VAL 60 HA VAL 60 6.740 0.037 -4.775 330 HB VAL 60 HB VAL 60 8.437 1.620 -3.962 331 HG11 VAL 60 HG11 VAL 60 8.764 2.918 -6.018 332 HG12 VAL 60 HG12 VAL 60 7.112 2.547 -6.510 333 HG13 VAL 60 HG13 VAL 60 8.299 1.251 -6.361 334 HG21 VAL 60 HG21 VAL 60 7.001 3.199 -2.812 335 HG22 VAL 60 HG22 VAL 60 6.310 3.721 -4.347 336 HG23 VAL 60 HG23 VAL 60 8.007 4.038 -3.993 337 H ALA 61 HN ALA 61 7.921 -0.079 -2.561 338 HA ALA 61 HA ALA 61 6.194 -0.561 -0.446 339 HB1 ALA 61 HB1 ALA 61 9.092 0.279 -0.322 340 HB2 ALA 61 HB2 ALA 61 8.492 -1.372 -0.472 341 HB3 ALA 61 HB3 ALA 61 8.185 -0.453 0.999 342 H GLU 62 HN GLU 62 5.417 0.675 1.263 343 HA GLU 62 HA GLU 62 4.749 3.297 0.581 344 HB2 GLU 62 HB2 GLU 62 3.401 1.826 2.053 345 HB3 GLU 62 HB1 GLU 62 4.583 2.069 3.333 346 HG2 GLU 62 HG2 GLU 62 4.060 4.380 3.490 347 HG3 GLU 62 HG1 GLU 62 3.083 4.321 2.024 348 HA PRO 63 HA PRO 63 8.040 4.812 3.890 349 HB2 PRO 63 HB2 PRO 63 9.981 2.576 3.672 350 HB3 PRO 63 HB1 PRO 63 9.495 3.511 5.089 351 HG2 PRO 63 HG2 PRO 63 8.652 1.012 4.770 352 HG3 PRO 63 HG1 PRO 63 7.568 2.258 5.420 353 HD2 PRO 63 HD2 PRO 63 7.691 1.106 2.657 354 HD3 PRO 63 HD1 PRO 63 6.272 1.499 3.651 355 H ASP 64 HN ASP 64 8.450 3.217 0.879 356 HA ASP 64 HA ASP 64 10.759 4.912 0.208 357 HB2 ASP 64 HB2 ASP 64 9.766 2.311 -0.945 358 HB3 ASP 64 HB1 ASP 64 10.880 3.346 -1.835 359 H PHE 65 HN PHE 65 7.542 5.051 0.077 360 HA PHE 65 HA PHE 65 6.928 5.684 -2.595 361 HB2 PHE 65 HB2 PHE 65 5.213 5.221 -0.896 362 HB3 PHE 65 HB1 PHE 65 5.645 6.698 -0.044 363 HD1 PHE 65 HD2 PHE 65 4.315 5.438 -3.274 364 HD2 PHE 65 HD1 PHE 65 4.614 8.715 -0.574 365 HE1 PHE 65 HE2 PHE 65 2.657 6.680 -4.601 366 HE2 PHE 65 HE1 PHE 65 2.959 9.964 -1.899 367 HZ PHE 65 HZ PHE 65 1.974 8.946 -3.915 368 H THR 66 HN THR 66 8.367 7.518 -0.012 369 HA THR 66 HA THR 66 8.101 10.100 -1.081 370 HB THR 66 HB THR 66 8.758 9.742 1.237 371 HG1 THR 66 HG1 THR 66 10.201 11.318 -0.507 372 HG21 THR 66 HG21 THR 66 11.351 8.675 0.114 373 HG22 THR 66 HG22 THR 66 10.133 7.752 0.995 374 HG23 THR 66 HG23 THR 66 11.042 9.020 1.814 375 H ALA 67 HN ALA 67 10.274 7.478 -1.833 376 HA ALA 67 HA ALA 67 12.180 9.070 -3.257 377 HB1 ALA 67 HB1 ALA 67 12.811 6.916 -2.305 378 HB2 ALA 67 HB2 ALA 67 13.073 6.937 -4.048 379 HB3 ALA 67 HB3 ALA 67 11.674 6.098 -3.376 380 H ALA 68 HN ALA 68 9.388 7.089 -4.117 381 HA ALA 68 HA ALA 68 9.487 7.237 -6.888 382 HB1 ALA 68 HB1 ALA 68 7.893 5.846 -5.682 383 HB2 ALA 68 HB2 ALA 68 7.067 6.887 -6.842 384 HB3 ALA 68 HB3 ALA 68 7.039 7.285 -5.124 385 H VAL 69 HN VAL 69 8.172 9.535 -4.551 386 HA VAL 69 HA VAL 69 7.075 11.390 -6.344 387 HB VAL 69 HB VAL 69 8.289 11.934 -3.627 388 HG11 VAL 69 HG11 VAL 69 6.292 13.523 -5.234 389 HG12 VAL 69 HG12 VAL 69 7.964 13.975 -4.906 390 HG13 VAL 69 HG13 VAL 69 6.801 13.880 -3.584 391 HG21 VAL 69 HG21 VAL 69 6.035 11.674 -2.754 392 HG22 VAL 69 HG22 VAL 69 6.558 10.197 -3.563 393 HG23 VAL 69 HG23 VAL 69 5.435 11.294 -4.368 394 H TYR 70 HN TYR 70 10.338 11.124 -4.982 395 HA TYR 70 HA TYR 70 11.366 13.528 -6.010 396 HB2 TYR 70 HB2 TYR 70 12.794 10.941 -5.372 397 HB3 TYR 70 HB1 TYR 70 13.607 12.453 -5.750 398 HD1 TYR 70 HD1 TYR 70 11.873 14.357 -4.225 399 HD2 TYR 70 HD2 TYR 70 13.444 10.550 -3.162 400 HE1 TYR 70 HE1 TYR 70 11.805 14.996 -1.851 401 HE2 TYR 70 HE2 TYR 70 13.374 11.176 -0.787 402 HH TYR 70 HH TYR 70 13.394 13.226 0.570 403 H TRP 71 HN TRP 71 11.215 10.277 -7.385 404 HA TRP 71 HA TRP 71 12.829 10.803 -9.638 405 HB2 TRP 71 HB2 TRP 71 10.575 8.796 -9.479 406 HB3 TRP 71 HB1 TRP 71 11.943 8.762 -10.580 407 HD1 TRP 71 HD1 TRP 71 11.053 6.491 -8.362 408 HE1 TRP 71 HE1 TRP 71 12.869 5.641 -6.752 409 HE3 TRP 71 HE3 TRP 71 14.385 10.358 -8.766 410 HZ2 TRP 71 HZ2 TRP 71 15.377 6.492 -5.779 411 HZ3 TRP 71 HZ3 TRP 71 16.468 10.255 -7.462 412 HH2 TRP 71 HH2 TRP 71 16.950 8.362 -6.001 413 H ILE 72 HN ILE 72 9.313 10.900 -9.171 414 HA ILE 72 HA ILE 72 8.763 11.445 -11.913 415 HB ILE 72 HB ILE 72 6.901 11.949 -9.590 416 HG12 ILE 72 HG12 ILE 72 7.728 9.681 -9.391 417 HG13 ILE 72 HG11 ILE 72 6.080 9.634 -10.007 418 HG21 ILE 72 HG21 ILE 72 5.155 11.485 -11.265 419 HG22 ILE 72 HG22 ILE 72 6.405 11.325 -12.501 420 HG23 ILE 72 HG23 ILE 72 6.147 12.877 -11.702 421 HD11 ILE 72 HD11 ILE 72 7.518 8.027 -11.135 422 HD12 ILE 72 HD12 ILE 72 8.579 9.338 -11.655 423 HD13 ILE 72 HD13 ILE 72 6.921 9.254 -12.254 424 H LYS 73 HN LYS 73 9.532 13.438 -9.177 425 HA LYS 73 HA LYS 73 8.403 15.871 -10.016 426 HB2 LYS 73 HB2 LYS 73 9.478 15.378 -7.765 427 HB3 LYS 73 HB1 LYS 73 11.034 15.614 -8.553 428 HG2 LYS 73 HG2 LYS 73 9.916 17.882 -9.308 429 HG3 LYS 73 HG1 LYS 73 8.931 17.598 -7.873 430 HD2 LYS 73 HD2 LYS 73 11.944 17.701 -7.956 431 HD3 LYS 73 HD1 LYS 73 10.885 18.986 -7.375 432 HE2 LYS 73 HE2 LYS 73 10.087 17.558 -5.585 433 HE3 LYS 73 HE1 LYS 73 11.057 16.215 -6.197 434 HZ1 LYS 73 HZ1 LYS 73 12.094 18.792 -5.137 435 HZ2 LYS 73 HZ2 LYS 73 13.050 17.556 -5.797 436 HZ3 LYS 73 HZ3 LYS 73 12.184 17.282 -4.365 437 H THR 74 HN THR 74 11.056 14.076 -11.233 438 HA THR 74 HA THR 74 12.504 16.217 -12.441 439 HB THR 74 HB THR 74 12.553 13.387 -13.459 440 HG1 THR 74 HG1 THR 74 12.825 12.929 -11.363 441 HG21 THR 74 HG21 THR 74 14.917 13.861 -13.800 442 HG22 THR 74 HG22 THR 74 14.726 15.443 -13.046 443 HG23 THR 74 HG23 THR 74 13.932 15.098 -14.582 444 H TYR 75 HN TYR 75 9.606 14.565 -13.227 445 HA TYR 75 HA TYR 75 9.822 14.954 -16.086 446 HB2 TYR 75 HB2 TYR 75 8.670 12.976 -15.055 447 HB3 TYR 75 HB1 TYR 75 7.414 14.069 -14.484 448 HD1 TYR 75 HD1 TYR 75 9.180 13.230 -17.674 449 HD2 TYR 75 HD2 TYR 75 5.502 14.234 -15.784 450 HE1 TYR 75 HE1 TYR 75 8.015 12.972 -19.821 451 HE2 TYR 75 HE2 TYR 75 4.326 13.982 -17.932 452 HH TYR 75 HH TYR 75 5.840 12.571 -20.699 453 H GLN 76 HN GLN 76 9.519 16.863 -16.939 454 HA GLN 76 HA GLN 76 8.206 19.008 -15.583 455 HB2 GLN 76 HB2 GLN 76 10.165 19.333 -17.050 456 HB3 GLN 76 HB1 GLN 76 9.210 18.811 -18.429 457 HG2 GLN 76 HG2 GLN 76 7.721 20.726 -18.116 458 HG3 GLN 76 HG1 GLN 76 8.699 21.249 -16.744 459 HE21 GLN 76 HE21 GLN 76 10.756 22.076 -17.107 460 HE22 GLN 76 HE22 GLN 76 11.261 22.623 -18.668
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