NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
576131 | 2m8b | 19237 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PCA 1 HA PCA 1 3.753 -18.671 0.563 2 HB2 PCA 1 HB2 PCA 1 1.898 -18.169 1.749 3 HB3 PCA 1 HB3 PCA 1 2.493 -16.542 2.095 4 HG2 PCA 1 HG2 PCA 1 3.041 -17.241 4.196 5 H ARG 2 H ARG 2 2.395 -16.326 -0.047 6 HA ARG 2 HA ARG 2 4.355 -14.994 -1.657 7 HB2 ARG 2 HB3 ARG 2 2.498 -13.771 -2.585 8 HB3 ARG 2 HB2 ARG 2 2.015 -15.449 -2.392 9 HG2 ARG 2 HG3 ARG 2 0.755 -14.907 -0.410 10 HG3 ARG 2 HG2 ARG 2 1.321 -13.238 -0.470 11 HD2 ARG 2 HD3 ARG 2 0.233 -13.030 -2.704 12 HD3 ARG 2 HD2 ARG 2 -0.457 -14.634 -2.457 13 HE ARG 2 HE ARG 2 -1.054 -12.919 -0.272 14 HH11 ARG 2 HH11 ARG 2 -1.983 -13.658 -3.561 15 HH12 ARG 2 HH12 ARG 2 -3.580 -13.000 -3.398 16 HH21 ARG 2 HH22 ARG 2 -3.148 -12.017 -0.054 17 HH22 ARG 2 HH21 ARG 2 -4.244 -12.075 -1.406 18 H LEU 3 H LEU 3 3.687 -12.402 -1.772 19 HA LEU 3 HA LEU 3 4.898 -11.049 0.309 20 HB2 LEU 3 HB3 LEU 3 2.743 -10.177 -1.611 21 HB3 LEU 3 HB2 LEU 3 3.495 -9.075 -0.478 22 HG LEU 3 HG LEU 3 5.205 -10.612 -2.401 23 HD11 LEU 3 HD11 LEU 3 4.973 -8.831 -4.031 24 HD12 LEU 3 HD12 LEU 3 3.788 -8.019 -3.009 25 HD13 LEU 3 HD13 LEU 3 3.405 -9.582 -3.732 26 HD21 LEU 3 HD21 LEU 3 5.433 -7.863 -1.177 27 HD22 LEU 3 HD22 LEU 3 6.651 -8.680 -2.157 28 HD23 LEU 3 HD23 LEU 3 6.227 -9.314 -0.569 29 H CYS 4 H CYS 4 4.271 -10.359 2.298 30 HA CYS 4 HA CYS 4 1.614 -11.145 3.194 31 HB2 CYS 4 HB3 CYS 4 4.140 -10.373 4.603 32 HB3 CYS 4 HB2 CYS 4 2.603 -10.179 5.440 33 H GLU 5 H GLU 5 0.028 -9.826 3.011 34 HA GLU 5 HA GLU 5 0.439 -7.127 2.172 35 HB2 GLU 5 HB2 GLU 5 -2.233 -8.249 2.945 36 HB3 GLU 5 HB3 GLU 5 -1.844 -7.063 1.709 37 HG2 GLU 5 HG2 GLU 5 -2.289 -8.833 0.390 38 HG3 GLU 5 HG3 GLU 5 -0.568 -9.091 0.645 39 H LYS 6 H LYS 6 -0.386 -5.268 3.147 40 HA LYS 6 HA LYS 6 -1.112 -5.423 5.977 41 HB2 LYS 6 HB3 LYS 6 1.382 -5.046 5.708 42 HB3 LYS 6 HB2 LYS 6 0.990 -3.534 4.912 43 HG2 LYS 6 HG3 LYS 6 -0.117 -2.749 6.941 44 HG3 LYS 6 HG2 LYS 6 0.299 -4.266 7.743 45 HD2 LYS 6 HD3 LYS 6 2.686 -3.782 7.348 46 HD3 LYS 6 HD2 LYS 6 2.233 -2.235 6.634 47 HE2 LYS 6 HE3 LYS 6 2.917 -1.927 8.938 48 HE3 LYS 6 HE2 LYS 6 1.202 -1.571 8.758 49 HZ1 LYS 6 HZ1 LYS 6 2.333 -4.104 9.814 50 HZ2 LYS 6 HZ2 LYS 6 0.688 -3.754 9.650 51 HZ3 LYS 6 HZ3 LYS 6 1.634 -2.876 10.739 52 HA PRO 7 HA PRO 7 -4.194 -2.696 4.283 53 HB2 PRO 7 HB3 PRO 7 -5.068 -1.678 6.699 54 HB3 PRO 7 HB2 PRO 7 -5.631 -3.190 5.984 55 HG2 PRO 7 HG3 PRO 7 -3.580 -2.747 8.109 56 HG3 PRO 7 HG2 PRO 7 -4.804 -4.023 7.978 57 HD2 PRO 7 HD3 PRO 7 -2.221 -4.466 7.379 58 HD3 PRO 7 HD2 PRO 7 -3.537 -5.256 6.484 59 H SER 8 H SER 8 -3.813 -0.792 3.396 60 HA SER 8 HA SER 8 -1.619 0.794 3.878 61 HB2 SER 8 HB2 SER 8 -4.279 1.506 2.643 62 HB3 SER 8 HB3 SER 8 -2.840 2.507 2.510 63 HG SER 8 HG SER 8 -1.833 0.902 1.354 64 H GLY 9 H GLY 9 -1.087 1.891 5.621 65 HA2 GLY 9 HA2 GLY 9 -3.165 2.878 7.422 66 HA3 GLY 9 HA3 GLY 9 -1.442 2.803 7.761 67 H THR 10 H THR 10 -1.698 4.023 4.751 68 HA THR 10 HA THR 10 -1.557 6.792 5.745 69 HB THR 10 HB THR 10 -0.437 7.237 3.510 70 HG1 THR 10 HG1 THR 10 -0.108 4.391 3.473 71 HG21 THR 10 HG21 THR 10 0.852 7.082 5.571 72 HG22 THR 10 HG22 THR 10 1.740 6.355 4.231 73 HG23 THR 10 HG23 THR 10 0.926 5.327 5.409 74 H TRP 11 H TRP 11 -3.517 4.633 4.286 75 HA TRP 11 HA TRP 11 -4.883 6.597 2.592 76 HB2 TRP 11 HB3 TRP 11 -4.120 4.238 1.819 77 HB3 TRP 11 HB2 TRP 11 -5.495 3.662 2.732 78 HD1 TRP 11 HD1 TRP 11 -7.940 4.287 1.740 79 HE1 TRP 11 HE1 TRP 11 -8.696 4.936 -0.629 80 HE3 TRP 11 HE3 TRP 11 -3.376 5.422 -0.279 81 HZ2 TRP 11 HZ2 TRP 11 -7.513 5.795 -3.038 82 HZ3 TRP 11 HZ3 TRP 11 -3.279 6.127 -2.631 83 HH2 TRP 11 HH2 TRP 11 -5.298 6.316 -3.983 84 H SER 12 H SER 12 -7.333 6.263 2.658 85 HA SER 12 HA SER 12 -8.461 5.473 5.183 86 HB2 SER 12 HB2 SER 12 -8.280 8.428 4.528 87 HB3 SER 12 HB3 SER 12 -9.267 7.742 5.818 88 HG SER 12 HG SER 12 -6.681 6.881 5.930 89 H GLY 13 H GLY 13 -10.693 5.340 5.139 90 HA2 GLY 13 HA2 GLY 13 -12.833 5.456 4.305 91 HA3 GLY 13 HA3 GLY 13 -12.275 6.681 3.176 92 H VAL 14 H VAL 14 -13.529 5.767 1.529 93 HA VAL 14 HA VAL 14 -13.197 3.099 0.642 94 HB VAL 14 HB VAL 14 -15.194 4.559 0.236 95 HG11 VAL 14 HG21 VAL 14 -14.082 6.608 -0.370 96 HG12 VAL 14 HG22 VAL 14 -15.117 6.083 -1.696 97 HG13 VAL 14 HG23 VAL 14 -13.375 5.838 -1.789 98 HG21 VAL 14 HG13 VAL 14 -15.625 3.719 -2.019 99 HG22 VAL 14 HG11 VAL 14 -14.896 2.492 -0.984 100 HG23 VAL 14 HG12 VAL 14 -13.916 3.324 -2.190 101 H CYS 15 H CYS 15 -12.212 2.426 -1.350 102 HA CYS 15 HA CYS 15 -10.084 4.214 -2.303 103 HB2 CYS 15 HB3 CYS 15 -8.930 2.542 -1.133 104 HB3 CYS 15 HB2 CYS 15 -10.006 1.270 -1.694 105 H GLY 16 H GLY 16 -9.757 4.325 -4.503 106 HA2 GLY 16 HA2 GLY 16 -11.597 2.770 -6.201 107 HA3 GLY 16 HA3 GLY 16 -11.607 4.526 -6.272 108 H ASN 17 H ASN 17 -8.632 2.754 -5.835 109 HA ASN 17 HA ASN 17 -7.874 2.839 -8.597 110 HB2 ASN 17 HB3 ASN 17 -6.112 4.570 -8.333 111 HB3 ASN 17 HB2 ASN 17 -7.734 5.228 -8.148 112 HD21 ASN 17 HD21 ASN 17 -8.462 5.832 -6.092 113 HD22 ASN 17 HD22 ASN 17 -7.339 6.152 -4.810 114 H ASN 18 H ASN 18 -5.897 1.820 -8.975 115 HA ASN 18 HA ASN 18 -4.879 0.356 -6.641 116 HB2 ASN 18 HB3 ASN 18 -4.838 -0.270 -9.593 117 HB3 ASN 18 HB2 ASN 18 -3.880 -1.170 -8.424 118 HD21 ASN 18 HD21 ASN 18 -7.081 -0.448 -9.559 119 HD22 ASN 18 HD22 ASN 18 -7.884 -1.733 -8.725 120 H GLY 19 H GLY 19 -3.923 2.504 -9.220 121 HA2 GLY 19 HA2 GLY 19 -1.123 1.996 -8.921 122 HA3 GLY 19 HA3 GLY 19 -1.850 3.237 -9.901 123 H ALA 20 H ALA 20 -3.135 4.835 -8.234 124 HA ALA 20 HA ALA 20 -1.156 6.330 -6.924 125 HB1 ALA 20 HB1 ALA 20 -3.263 7.323 -7.633 126 HB2 ALA 20 HB2 ALA 20 -3.024 7.569 -5.901 127 HB3 ALA 20 HB3 ALA 20 -4.144 6.330 -6.473 128 H CYS 21 H CYS 21 -3.461 3.945 -5.749 129 HA CYS 21 HA CYS 21 -2.748 3.881 -3.061 130 HB2 CYS 21 HB3 CYS 21 -4.141 2.151 -4.939 131 HB3 CYS 21 HB2 CYS 21 -3.233 1.237 -3.742 132 H ARG 22 H ARG 22 -1.390 2.052 -5.822 133 HA ARG 22 HA ARG 22 0.453 0.552 -4.307 134 HB2 ARG 22 HB3 ARG 22 -0.166 0.040 -6.656 135 HB3 ARG 22 HB2 ARG 22 0.697 1.478 -7.182 136 HG2 ARG 22 HG3 ARG 22 2.794 0.538 -6.404 137 HG3 ARG 22 HG2 ARG 22 1.946 -0.885 -5.794 138 HD2 ARG 22 HD3 ARG 22 2.952 -1.405 -7.919 139 HD3 ARG 22 HD2 ARG 22 1.201 -1.384 -8.089 140 HE ARG 22 HE ARG 22 2.426 1.122 -8.752 141 HH11 ARG 22 HH11 ARG 22 1.628 -2.060 -9.978 142 HH12 ARG 22 HH12 ARG 22 1.591 -1.552 -11.634 143 HH21 ARG 22 HH22 ARG 22 2.394 1.783 -10.945 144 HH22 ARG 22 HH21 ARG 22 2.023 0.627 -12.183 145 H ASN 23 H ASN 23 0.837 3.499 -6.176 146 HA ASN 23 HA ASN 23 3.494 4.062 -5.718 147 HB2 ASN 23 HB3 ASN 23 2.177 5.270 -7.334 148 HB3 ASN 23 HB2 ASN 23 1.115 5.886 -6.091 149 HD21 ASN 23 HD21 ASN 23 1.580 7.744 -5.133 150 HD22 ASN 23 HD22 ASN 23 2.997 8.676 -5.445 151 H GLN 24 H GLN 24 0.692 5.050 -3.807 152 HA GLN 24 HA GLN 24 2.066 6.639 -1.946 153 HB2 GLN 24 HB2 GLN 24 -0.492 6.337 -2.304 154 HB3 GLN 24 HB3 GLN 24 -0.337 5.024 -1.149 155 HG2 GLN 24 HG3 GLN 24 0.536 6.531 0.511 156 HG3 GLN 24 HG2 GLN 24 0.515 7.863 -0.643 157 HE21 GLN 24 HE21 GLN 24 -1.340 5.849 1.446 158 HE22 GLN 24 HE22 GLN 24 -2.820 6.737 1.325 159 H CYS 25 H CYS 25 1.100 3.231 -1.747 160 HA CYS 25 HA CYS 25 2.304 2.581 0.681 161 HB2 CYS 25 HB3 CYS 25 1.936 0.895 -1.806 162 HB3 CYS 25 HB2 CYS 25 2.447 0.256 -0.252 163 H ILE 26 H ILE 26 3.743 2.722 -2.577 164 HA ILE 26 HA ILE 26 6.218 1.561 -2.052 165 HB ILE 26 HB ILE 26 5.894 3.981 -3.823 166 HG12 ILE 26 HG13 ILE 26 4.125 2.492 -4.478 167 HG13 ILE 26 HG12 ILE 26 5.408 2.400 -5.678 168 HG21 ILE 26 HG21 ILE 26 7.676 2.917 -5.130 169 HG22 ILE 26 HG22 ILE 26 7.748 1.613 -3.945 170 HG23 ILE 26 HG23 ILE 26 8.171 3.258 -3.471 171 HD11 ILE 26 HD11 ILE 26 4.891 0.420 -3.488 172 HD12 ILE 26 HD12 ILE 26 6.171 0.315 -4.697 173 HD13 ILE 26 HD13 ILE 26 4.479 0.227 -5.191 174 H ARG 27 H ARG 27 5.439 5.011 -2.083 175 HA ARG 27 HA ARG 27 8.044 5.666 -1.136 176 HB2 ARG 27 HB3 ARG 27 7.169 8.020 -1.271 177 HB3 ARG 27 HB2 ARG 27 7.229 7.107 -2.771 178 HG2 ARG 27 HG3 ARG 27 4.884 6.609 -2.568 179 HG3 ARG 27 HG2 ARG 27 4.807 7.504 -1.055 180 HD2 ARG 27 HD3 ARG 27 5.501 8.642 -3.762 181 HD3 ARG 27 HD2 ARG 27 3.974 8.860 -2.910 182 HE ARG 27 HE ARG 27 6.293 9.719 -1.426 183 HH11 ARG 27 HH11 ARG 27 3.826 10.673 -3.725 184 HH12 ARG 27 HH12 ARG 27 3.980 12.362 -3.369 185 HH21 ARG 27 HH22 ARG 27 6.496 11.928 -0.962 186 HH22 ARG 27 HH21 ARG 27 5.495 13.082 -1.790 187 H LEU 28 H LEU 28 4.791 5.795 0.267 188 HA LEU 28 HA LEU 28 5.823 7.256 2.555 189 HB2 LEU 28 HB3 LEU 28 3.027 6.252 2.024 190 HB3 LEU 28 HB2 LEU 28 3.502 7.321 3.328 191 HG LEU 28 HG LEU 28 3.460 7.943 0.378 192 HD11 LEU 28 HD11 LEU 28 1.312 8.070 1.540 193 HD12 LEU 28 HD12 LEU 28 1.876 9.661 1.029 194 HD13 LEU 28 HD13 LEU 28 2.019 9.176 2.719 195 HD21 LEU 28 HD21 LEU 28 5.475 8.912 1.337 196 HD22 LEU 28 HD22 LEU 28 4.526 9.633 2.635 197 HD23 LEU 28 HD23 LEU 28 4.292 10.167 0.973 198 H GLU 29 H GLU 29 4.459 4.059 1.885 199 HA GLU 29 HA GLU 29 4.982 3.342 4.671 200 HB2 GLU 29 HB2 GLU 29 3.262 1.976 2.600 201 HB3 GLU 29 HB3 GLU 29 3.492 1.402 4.239 202 HG2 GLU 29 HG2 GLU 29 2.686 3.729 4.957 203 HG3 GLU 29 HG3 GLU 29 2.100 3.871 3.304 204 H LYS 30 H LYS 30 6.525 3.269 1.873 205 HA LYS 30 HA LYS 30 8.414 2.266 1.126 206 HB2 LYS 30 HB3 LYS 30 8.497 1.186 3.946 207 HB3 LYS 30 HB2 LYS 30 9.815 1.056 2.789 208 HG2 LYS 30 HG3 LYS 30 10.031 3.455 2.701 209 HG3 LYS 30 HG2 LYS 30 8.635 3.647 3.763 210 HD2 LYS 30 HD3 LYS 30 9.818 2.547 5.568 211 HD3 LYS 30 HD2 LYS 30 11.194 2.236 4.508 212 HE2 LYS 30 HE3 LYS 30 10.165 4.966 5.268 213 HE3 LYS 30 HE2 LYS 30 11.551 4.166 6.004 214 HZ1 LYS 30 HZ1 LYS 30 12.216 5.746 4.297 215 HZ2 LYS 30 HZ2 LYS 30 11.315 4.909 3.140 216 HZ3 LYS 30 HZ3 LYS 30 12.655 4.171 3.863 217 H ALA 31 H ALA 31 5.827 0.904 0.873 218 HA ALA 31 HA ALA 31 6.402 -1.925 1.051 219 HB1 ALA 31 HB1 ALA 31 4.180 -2.263 0.259 220 HB2 ALA 31 HB2 ALA 31 4.074 -0.601 -0.315 221 HB3 ALA 31 HB3 ALA 31 4.123 -0.930 1.418 222 H ARG 32 H ARG 32 6.512 -3.332 -0.738 223 HA ARG 32 HA ARG 32 7.929 -2.167 -2.964 224 HB2 ARG 32 HB3 ARG 32 7.279 -5.053 -2.366 225 HB3 ARG 32 HB2 ARG 32 8.439 -4.465 -3.543 226 HG2 ARG 32 HG3 ARG 32 8.607 -4.135 -0.561 227 HG3 ARG 32 HG2 ARG 32 9.575 -5.223 -1.551 228 HD2 ARG 32 HD3 ARG 32 9.578 -2.210 -1.659 229 HD3 ARG 32 HD2 ARG 32 10.846 -3.232 -0.988 230 HE ARG 32 HE ARG 32 10.617 -4.092 -3.551 231 HH11 ARG 32 HH11 ARG 32 11.156 -0.960 -2.073 232 HH12 ARG 32 HH12 ARG 32 12.067 -0.340 -3.413 233 HH21 ARG 32 HH22 ARG 32 11.802 -3.284 -5.318 234 HH22 ARG 32 HH21 ARG 32 12.439 -1.671 -5.265 235 H HIS 33 H HIS 33 4.836 -3.634 -2.312 236 HA HIS 33 HA HIS 33 3.946 -2.777 -4.956 237 HB2 HIS 33 HB3 HIS 33 4.501 -5.176 -5.195 238 HB3 HIS 33 HB2 HIS 33 3.422 -5.559 -3.861 239 HD1 HIS 33 HD1 HIS 33 3.179 -3.924 -7.304 240 HD2 HIS 33 HD2 HIS 33 0.942 -6.259 -4.686 241 HE1 HIS 33 HE1 HIS 33 1.024 -4.415 -8.500 242 HE2 HIS 33 HE2 HIS 33 -0.204 -6.017 -6.992 243 H GLY 34 H GLY 34 1.564 -2.605 -5.075 244 HA2 GLY 34 HA2 GLY 34 0.036 -2.870 -2.645 245 HA3 GLY 34 HA3 GLY 34 0.349 -1.202 -3.101 246 H SER 35 H SER 35 -2.230 -2.482 -2.980 247 HA SER 35 HA SER 35 -3.175 -1.738 -5.588 248 HB2 SER 35 HB2 SER 35 -4.309 -3.945 -6.002 249 HB3 SER 35 HB3 SER 35 -2.552 -3.995 -6.145 250 HG SER 35 HG SER 35 -3.858 -5.636 -4.779 251 H CYS 36 H CYS 36 -5.600 -2.141 -5.717 252 HA CYS 36 HA CYS 36 -6.757 -1.392 -3.126 253 HB2 CYS 36 HB3 CYS 36 -6.919 0.164 -5.108 254 HB3 CYS 36 HB2 CYS 36 -7.943 -1.038 -5.883 255 H ASN 37 H ASN 37 -6.794 -3.625 -2.492 256 HA ASN 37 HA ASN 37 -8.028 -5.622 -4.100 257 HB2 ASN 37 HB3 ASN 37 -6.984 -7.001 -2.674 258 HB3 ASN 37 HB2 ASN 37 -6.365 -5.574 -1.844 259 HD21 ASN 37 HD21 ASN 37 -7.436 -4.823 -0.028 260 HD22 ASN 37 HD22 ASN 37 -8.384 -5.885 0.933 261 H TYR 38 H TYR 38 -9.951 -6.820 -3.589 262 HA TYR 38 HA TYR 38 -11.990 -5.029 -2.496 263 HB2 TYR 38 HB2 TYR 38 -12.304 -5.803 -4.828 264 HB3 TYR 38 HB3 TYR 38 -12.372 -7.464 -4.246 265 HD1 TYR 38 HD2 TYR 38 -13.968 -4.183 -3.464 266 HD2 TYR 38 HD1 TYR 38 -14.492 -8.366 -3.998 267 HE1 TYR 38 HE2 TYR 38 -16.374 -3.924 -3.062 268 HE2 TYR 38 HE1 TYR 38 -16.906 -8.121 -3.600 269 HH TYR 38 HH TYR 38 -18.425 -5.004 -3.427 270 H VAL 39 H VAL 39 -11.481 -5.561 -0.308 271 HA VAL 39 HA VAL 39 -12.261 -8.164 0.625 272 HB VAL 39 HB VAL 39 -12.211 -6.916 2.897 273 HG11 VAL 39 HG21 VAL 39 -9.718 -7.266 1.243 274 HG12 VAL 39 HG22 VAL 39 -10.516 -8.504 2.213 275 HG13 VAL 39 HG23 VAL 39 -9.759 -7.120 3.002 276 HG21 VAL 39 HG13 VAL 39 -10.712 -4.930 1.198 277 HG22 VAL 39 HG11 VAL 39 -10.847 -4.907 2.956 278 HG23 VAL 39 HG12 VAL 39 -12.278 -4.648 1.958 279 H PHE 40 H PHE 40 -14.302 -8.607 0.176 280 HA PHE 40 HA PHE 40 -16.388 -6.962 -0.357 281 HB2 PHE 40 HB2 PHE 40 -16.358 -9.422 -0.682 282 HB3 PHE 40 HB3 PHE 40 -16.589 -9.627 1.045 283 HD1 PHE 40 HD1 PHE 40 -18.165 -8.170 -1.973 284 HD2 PHE 40 HD2 PHE 40 -18.723 -9.719 1.948 285 HE1 PHE 40 HE1 PHE 40 -20.601 -8.114 -2.302 286 HE2 PHE 40 HE2 PHE 40 -21.159 -9.665 1.626 287 HZ PHE 40 HZ PHE 40 -22.101 -8.863 -0.500 288 HA PRO 41 HA PRO 41 -18.087 -6.307 -0.380 289 HB2 PRO 41 HB3 PRO 41 -20.010 -4.570 0.101 290 HB3 PRO 41 HB2 PRO 41 -20.132 -6.210 0.750 291 HG2 PRO 41 HG3 PRO 41 -19.416 -3.671 2.143 292 HG3 PRO 41 HG2 PRO 41 -20.343 -5.056 2.746 293 HD2 PRO 41 HD3 PRO 41 -17.577 -4.533 3.149 294 HD3 PRO 41 HD2 PRO 41 -18.461 -6.010 3.581 295 H ALA 42 H ALA 42 -15.693 -4.689 0.686 296 HA ALA 42 HA ALA 42 -16.193 -2.274 -0.916 297 HB1 ALA 42 HB1 ALA 42 -16.586 -1.702 1.433 298 HB2 ALA 42 HB2 ALA 42 -15.196 -0.844 0.768 299 HB3 ALA 42 HB3 ALA 42 -14.951 -2.231 1.827 300 H HIS 43 H HIS 43 -14.390 -1.297 -1.848 301 HA HIS 43 HA HIS 43 -12.009 -2.933 -2.093 302 HB2 HIS 43 HB3 HIS 43 -12.987 -0.425 -3.405 303 HB3 HIS 43 HB2 HIS 43 -11.272 -0.800 -3.458 304 HD1 HIS 43 HD1 HIS 43 -10.545 -2.853 -4.875 305 HD2 HIS 43 HD2 HIS 43 -14.611 -1.985 -5.034 306 HE1 HIS 43 HE1 HIS 43 -11.444 -4.176 -6.810 307 HE2 HIS 43 HE2 HIS 43 -13.854 -3.475 -7.007 308 H LYS 44 H LYS 44 -10.257 -2.724 -0.875 309 HA LYS 44 HA LYS 44 -9.867 -0.186 0.553 310 HB2 LYS 44 HB3 LYS 44 -9.660 -2.991 1.611 311 HB3 LYS 44 HB2 LYS 44 -8.792 -1.663 2.370 312 HG2 LYS 44 HG3 LYS 44 -11.759 -1.702 1.934 313 HG3 LYS 44 HG2 LYS 44 -10.973 -2.199 3.433 314 HD2 LYS 44 HD3 LYS 44 -9.976 0.056 3.602 315 HD3 LYS 44 HD2 LYS 44 -10.854 0.531 2.148 316 HE2 LYS 44 HE3 LYS 44 -12.972 0.016 3.304 317 HE3 LYS 44 HE2 LYS 44 -12.058 -0.357 4.764 318 HZ1 LYS 44 HZ1 LYS 44 -12.082 2.276 3.388 319 HZ2 LYS 44 HZ2 LYS 44 -11.260 1.908 4.820 320 HZ3 LYS 44 HZ3 LYS 44 -12.950 1.896 4.790 321 H CYS 45 H CYS 45 -7.775 0.434 0.922 322 HA CYS 45 HA CYS 45 -5.986 -0.379 -1.182 323 HB2 CYS 45 HB3 CYS 45 -6.422 2.006 -0.283 324 HB3 CYS 45 HB2 CYS 45 -5.347 1.557 1.033 325 H ILE 46 H ILE 46 -4.412 -1.836 -0.989 326 HA ILE 46 HA ILE 46 -3.576 -2.646 1.714 327 HB ILE 46 HB ILE 46 -4.270 -4.476 -0.596 328 HG12 ILE 46 HG13 ILE 46 -6.176 -3.642 0.707 329 HG13 ILE 46 HG12 ILE 46 -5.951 -5.379 0.871 330 HG21 ILE 46 HG21 ILE 46 -2.269 -5.297 0.514 331 HG22 ILE 46 HG22 ILE 46 -3.651 -6.327 0.888 332 HG23 ILE 46 HG23 ILE 46 -3.069 -5.164 2.082 333 HD11 ILE 46 HD11 ILE 46 -6.516 -4.525 2.985 334 HD12 ILE 46 HD12 ILE 46 -5.316 -3.241 2.867 335 HD13 ILE 46 HD13 ILE 46 -4.798 -4.919 3.036 336 H CYS 47 H CYS 47 -1.477 -2.340 1.953 337 HA CYS 47 HA CYS 47 0.279 -2.212 -0.360 338 HB2 CYS 47 HB3 CYS 47 1.024 -1.916 2.561 339 HB3 CYS 47 HB2 CYS 47 1.963 -1.409 1.165 340 H TYR 48 H TYR 48 2.004 -3.628 -0.712 341 HA TYR 48 HA TYR 48 1.820 -6.164 0.772 342 HB2 TYR 48 HB2 TYR 48 2.686 -5.581 -2.056 343 HB3 TYR 48 HB3 TYR 48 2.919 -7.141 -1.281 344 HD1 TYR 48 HD1 TYR 48 0.389 -4.742 -2.470 345 HD2 TYR 48 HD2 TYR 48 1.113 -8.683 -1.070 346 HE1 TYR 48 HE1 TYR 48 -1.868 -5.391 -3.170 347 HE2 TYR 48 HE2 TYR 48 -1.136 -9.358 -1.777 348 HH TYR 48 HH TYR 48 -3.316 -8.327 -2.221 349 H PHE 49 H PHE 49 3.490 -6.810 1.920 350 HA PHE 49 HA PHE 49 6.101 -5.540 1.445 351 HB2 PHE 49 HB2 PHE 49 4.855 -6.394 4.064 352 HB3 PHE 49 HB3 PHE 49 6.520 -5.862 3.890 353 HD1 PHE 49 HD1 PHE 49 2.997 -4.788 3.735 354 HD2 PHE 49 HD2 PHE 49 7.072 -3.567 3.663 355 HE1 PHE 49 HE1 PHE 49 2.299 -2.455 4.022 356 HE2 PHE 49 HE2 PHE 49 6.375 -1.227 3.953 357 HZ PHE 49 HZ PHE 49 3.981 -0.668 4.127 358 HA PRO 50 HA PRO 50 7.723 -9.554 0.540 359 HB2 PRO 50 HB3 PRO 50 10.101 -8.531 2.009 360 HB3 PRO 50 HB2 PRO 50 9.994 -9.264 0.403 361 HG2 PRO 50 HG3 PRO 50 10.316 -6.646 0.639 362 HG3 PRO 50 HG2 PRO 50 9.211 -7.300 -0.580 363 HD2 PRO 50 HD3 PRO 50 8.582 -6.052 2.072 364 HD3 PRO 50 HD2 PRO 50 7.745 -5.878 0.516 365 H CYS 51 H CYS 51 7.089 -11.249 1.627 366 HA CYS 51 HA CYS 51 7.254 -11.222 4.548 367 HB2 CYS 51 HB3 CYS 51 5.080 -11.638 3.220 368 HB3 CYS 51 HB2 CYS 51 5.747 -13.234 2.900 Start of MODEL 2 1 HA PCA 1 HA PCA 1 4.999 -17.581 -0.091 2 HB2 PCA 1 HB2 PCA 1 6.870 -17.736 1.169 3 HB3 PCA 1 HB3 PCA 1 7.848 -16.970 -0.089 4 HG2 PCA 1 HG2 PCA 1 8.661 -19.040 -0.611 5 H ARG 2 H ARG 2 3.919 -16.026 -1.307 6 HA ARG 2 HA ARG 2 5.476 -14.127 -2.871 7 HB2 ARG 2 HB3 ARG 2 3.353 -13.175 -3.529 8 HB3 ARG 2 HB2 ARG 2 3.278 -14.922 -3.706 9 HG2 ARG 2 HG3 ARG 2 1.854 -15.171 -1.885 10 HG3 ARG 2 HG2 ARG 2 2.270 -13.590 -1.222 11 HD2 ARG 2 HD3 ARG 2 1.173 -12.544 -3.192 12 HD3 ARG 2 HD2 ARG 2 0.647 -14.147 -3.703 13 HE ARG 2 HE ARG 2 -0.258 -13.925 -1.140 14 HH11 ARG 2 HH11 ARG 2 -0.611 -11.944 -4.009 15 HH12 ARG 2 HH12 ARG 2 -2.204 -11.398 -3.586 16 HH21 ARG 2 HH22 ARG 2 -2.330 -13.172 -0.564 17 HH22 ARG 2 HH21 ARG 2 -3.168 -12.074 -1.615 18 H LEU 3 H LEU 3 4.064 -11.839 -2.458 19 HA LEU 3 HA LEU 3 5.144 -10.739 -0.088 20 HB2 LEU 3 HB3 LEU 3 3.002 -9.733 -1.957 21 HB3 LEU 3 HB2 LEU 3 3.746 -8.779 -0.692 22 HG LEU 3 HG LEU 3 5.413 -10.017 -2.866 23 HD11 LEU 3 HD11 LEU 3 3.649 -8.720 -3.965 24 HD12 LEU 3 HD12 LEU 3 5.225 -7.947 -4.129 25 HD13 LEU 3 HD13 LEU 3 4.056 -7.327 -2.965 26 HD21 LEU 3 HD21 LEU 3 6.567 -9.136 -0.905 27 HD22 LEU 3 HD22 LEU 3 5.760 -7.581 -1.122 28 HD23 LEU 3 HD23 LEU 3 6.906 -8.158 -2.332 29 H CYS 4 H CYS 4 4.042 -9.928 1.756 30 HA CYS 4 HA CYS 4 1.460 -11.209 2.324 31 HB2 CYS 4 HB3 CYS 4 3.678 -10.191 4.072 32 HB3 CYS 4 HB2 CYS 4 2.045 -10.317 4.715 33 H GLU 5 H GLU 5 -0.324 -10.003 2.416 34 HA GLU 5 HA GLU 5 -0.082 -7.241 1.676 35 HB2 GLU 5 HB2 GLU 5 -2.719 -8.342 2.465 36 HB3 GLU 5 HB3 GLU 5 -2.279 -7.290 1.135 37 HG2 GLU 5 HG2 GLU 5 -2.873 -9.169 0.029 38 HG3 GLU 5 HG3 GLU 5 -1.133 -9.398 0.184 39 H LYS 6 H LYS 6 -0.537 -5.483 2.800 40 HA LYS 6 HA LYS 6 -1.381 -5.707 5.607 41 HB2 LYS 6 HB3 LYS 6 1.118 -4.672 4.497 42 HB3 LYS 6 HB2 LYS 6 0.323 -3.529 5.547 43 HG2 LYS 6 HG3 LYS 6 1.867 -4.747 6.866 44 HG3 LYS 6 HG2 LYS 6 0.254 -5.303 7.306 45 HD2 LYS 6 HD3 LYS 6 0.550 -7.268 5.869 46 HD3 LYS 6 HD2 LYS 6 2.169 -6.708 5.444 47 HE2 LYS 6 HE3 LYS 6 2.848 -6.865 7.781 48 HE3 LYS 6 HE2 LYS 6 1.226 -7.386 8.227 49 HZ1 LYS 6 HZ1 LYS 6 3.096 -8.855 6.453 50 HZ2 LYS 6 HZ2 LYS 6 1.527 -9.350 6.845 51 HZ3 LYS 6 HZ3 LYS 6 2.710 -9.265 8.047 52 HA PRO 7 HA PRO 7 -4.270 -2.669 4.046 53 HB2 PRO 7 HB3 PRO 7 -5.149 -1.777 6.499 54 HB3 PRO 7 HB2 PRO 7 -5.761 -3.223 5.695 55 HG2 PRO 7 HG3 PRO 7 -3.731 -2.980 7.870 56 HG3 PRO 7 HG2 PRO 7 -5.015 -4.185 7.663 57 HD2 PRO 7 HD3 PRO 7 -2.438 -4.716 7.069 58 HD3 PRO 7 HD2 PRO 7 -3.782 -5.419 6.147 59 H SER 8 H SER 8 -3.843 -0.646 3.403 60 HA SER 8 HA SER 8 -1.497 0.675 4.078 61 HB2 SER 8 HB2 SER 8 -2.661 1.118 1.989 62 HB3 SER 8 HB3 SER 8 -4.025 1.811 2.865 63 HG SER 8 HG SER 8 -1.360 2.818 2.938 64 H GLY 9 H GLY 9 -0.896 2.007 5.621 65 HA2 GLY 9 HA2 GLY 9 -2.918 2.877 7.574 66 HA3 GLY 9 HA3 GLY 9 -1.183 2.792 7.858 67 H THR 10 H THR 10 -1.854 4.037 4.824 68 HA THR 10 HA THR 10 -1.545 6.789 5.837 69 HB THR 10 HB THR 10 -0.445 7.265 3.611 70 HG1 THR 10 HG1 THR 10 -0.112 4.427 3.498 71 HG21 THR 10 HG21 THR 10 1.735 6.339 4.288 72 HG22 THR 10 HG22 THR 10 0.918 5.304 5.458 73 HG23 THR 10 HG23 THR 10 0.870 7.057 5.645 74 H TRP 11 H TRP 11 -3.192 4.611 3.720 75 HA TRP 11 HA TRP 11 -4.719 6.640 2.377 76 HB2 TRP 11 HB3 TRP 11 -4.139 4.244 1.586 77 HB3 TRP 11 HB2 TRP 11 -5.482 3.744 2.593 78 HD1 TRP 11 HD1 TRP 11 -7.964 4.508 1.754 79 HE1 TRP 11 HE1 TRP 11 -8.831 5.181 -0.568 80 HE3 TRP 11 HE3 TRP 11 -3.488 5.388 -0.554 81 HZ2 TRP 11 HZ2 TRP 11 -7.758 5.963 -3.049 82 HZ3 TRP 11 HZ3 TRP 11 -3.498 6.093 -2.911 83 HH2 TRP 11 HH2 TRP 11 -5.591 6.374 -4.136 84 H SER 12 H SER 12 -7.194 6.371 2.521 85 HA SER 12 HA SER 12 -8.114 5.876 5.228 86 HB2 SER 12 HB2 SER 12 -7.255 8.209 5.268 87 HB3 SER 12 HB3 SER 12 -8.372 8.618 3.967 88 HG SER 12 HG SER 12 -10.039 8.487 5.316 89 H GLY 13 H GLY 13 -10.107 5.070 5.212 90 HA2 GLY 13 HA2 GLY 13 -12.292 4.704 4.603 91 HA3 GLY 13 HA3 GLY 13 -12.153 6.059 3.497 92 H VAL 14 H VAL 14 -13.105 5.210 1.739 93 HA VAL 14 HA VAL 14 -12.512 2.555 0.821 94 HB VAL 14 HB VAL 14 -14.160 4.768 -0.419 95 HG11 VAL 14 HG21 VAL 14 -13.421 3.184 -2.093 96 HG12 VAL 14 HG22 VAL 14 -15.149 3.005 -1.792 97 HG13 VAL 14 HG23 VAL 14 -14.009 1.845 -1.111 98 HG21 VAL 14 HG13 VAL 14 -15.000 2.361 1.192 99 HG22 VAL 14 HG11 VAL 14 -16.087 3.511 0.415 100 HG23 VAL 14 HG12 VAL 14 -15.040 4.040 1.731 101 H CYS 15 H CYS 15 -11.412 2.013 -1.045 102 HA CYS 15 HA CYS 15 -9.657 4.109 -2.125 103 HB2 CYS 15 HB3 CYS 15 -8.278 2.491 -1.177 104 HB3 CYS 15 HB2 CYS 15 -9.323 1.165 -1.671 105 H GLY 16 H GLY 16 -9.402 4.339 -4.350 106 HA2 GLY 16 HA2 GLY 16 -11.416 2.920 -5.984 107 HA3 GLY 16 HA3 GLY 16 -11.008 4.615 -6.200 108 H ASN 17 H ASN 17 -8.112 3.717 -5.646 109 HA ASN 17 HA ASN 17 -7.573 2.999 -8.455 110 HB2 ASN 17 HB3 ASN 17 -6.435 5.172 -6.727 111 HB3 ASN 17 HB2 ASN 17 -5.525 4.549 -8.098 112 HD21 ASN 17 HD21 ASN 17 -8.308 6.338 -7.061 113 HD22 ASN 17 HD22 ASN 17 -8.668 7.038 -8.597 114 H ASN 18 H ASN 18 -6.277 1.281 -8.690 115 HA ASN 18 HA ASN 18 -5.063 0.075 -6.378 116 HB2 ASN 18 HB3 ASN 18 -4.429 -1.746 -7.828 117 HB3 ASN 18 HB2 ASN 18 -6.091 -1.298 -8.173 118 HD21 ASN 18 HD21 ASN 18 -4.002 -2.678 -9.760 119 HD22 ASN 18 HD22 ASN 18 -3.909 -1.802 -11.244 120 H GLY 19 H GLY 19 -3.917 1.811 -9.211 121 HA2 GLY 19 HA2 GLY 19 -1.156 1.347 -8.601 122 HA3 GLY 19 HA3 GLY 19 -1.778 2.412 -9.832 123 H ALA 20 H ALA 20 -3.393 4.039 -8.214 124 HA ALA 20 HA ALA 20 -1.534 5.865 -7.104 125 HB1 ALA 20 HB1 ALA 20 -3.797 6.510 -7.892 126 HB2 ALA 20 HB2 ALA 20 -3.465 7.065 -6.252 127 HB3 ALA 20 HB3 ALA 20 -4.497 5.661 -6.515 128 H CYS 21 H CYS 21 -3.505 3.289 -5.759 129 HA CYS 21 HA CYS 21 -2.774 3.615 -3.052 130 HB2 CYS 21 HB3 CYS 21 -4.647 2.207 -3.588 131 HB3 CYS 21 HB2 CYS 21 -3.657 1.191 -4.630 132 H ARG 22 H ARG 22 -1.440 1.621 -5.693 133 HA ARG 22 HA ARG 22 0.596 0.355 -4.274 134 HB2 ARG 22 HB3 ARG 22 -0.020 -0.206 -6.597 135 HB3 ARG 22 HB2 ARG 22 0.637 1.331 -7.140 136 HG2 ARG 22 HG3 ARG 22 2.866 0.620 -6.370 137 HG3 ARG 22 HG2 ARG 22 2.185 -0.943 -5.915 138 HD2 ARG 22 HD3 ARG 22 3.231 -1.136 -8.078 139 HD3 ARG 22 HD2 ARG 22 1.486 -1.276 -8.259 140 HE ARG 22 HE ARG 22 2.280 1.411 -8.621 141 HH11 ARG 22 HH11 ARG 22 2.402 -1.688 -10.253 142 HH12 ARG 22 HH12 ARG 22 2.412 -0.990 -11.839 143 HH21 ARG 22 HH22 ARG 22 2.302 2.321 -10.706 144 HH22 ARG 22 HH21 ARG 22 2.374 1.291 -12.097 145 H ASN 23 H ASN 23 0.638 3.354 -6.074 146 HA ASN 23 HA ASN 23 3.287 4.087 -5.770 147 HB2 ASN 23 HB3 ASN 23 1.673 5.124 -7.313 148 HB3 ASN 23 HB2 ASN 23 0.818 5.829 -5.957 149 HD21 ASN 23 HD21 ASN 23 1.074 7.892 -6.655 150 HD22 ASN 23 HD22 ASN 23 2.592 8.711 -6.626 151 H GLN 24 H GLN 24 0.507 4.950 -3.753 152 HA GLN 24 HA GLN 24 1.897 6.648 -1.988 153 HB2 GLN 24 HB2 GLN 24 -0.642 6.335 -2.277 154 HB3 GLN 24 HB3 GLN 24 -0.474 4.992 -1.162 155 HG2 GLN 24 HG3 GLN 24 0.394 6.454 0.539 156 HG3 GLN 24 HG2 GLN 24 0.362 7.819 -0.576 157 HE21 GLN 24 HE21 GLN 24 -1.492 5.711 1.432 158 HE22 GLN 24 HE22 GLN 24 -2.971 6.607 1.357 159 H CYS 25 H CYS 25 1.011 3.230 -1.730 160 HA CYS 25 HA CYS 25 2.232 2.613 0.693 161 HB2 CYS 25 HB3 CYS 25 1.951 0.916 -1.798 162 HB3 CYS 25 HB2 CYS 25 2.461 0.297 -0.237 163 H ILE 26 H ILE 26 3.687 2.845 -2.548 164 HA ILE 26 HA ILE 26 6.208 1.786 -1.975 165 HB ILE 26 HB ILE 26 5.802 4.155 -3.795 166 HG12 ILE 26 HG13 ILE 26 4.105 2.585 -4.456 167 HG13 ILE 26 HG12 ILE 26 5.413 2.519 -5.629 168 HG21 ILE 26 HG21 ILE 26 8.101 3.515 -3.384 169 HG22 ILE 26 HG22 ILE 26 7.651 3.155 -5.050 170 HG23 ILE 26 HG23 ILE 26 7.745 1.855 -3.863 171 HD11 ILE 26 HD11 ILE 26 6.234 0.479 -4.598 172 HD12 ILE 26 HD12 ILE 26 4.554 0.322 -5.118 173 HD13 ILE 26 HD13 ILE 26 4.931 0.560 -3.411 174 H ARG 27 H ARG 27 5.357 5.210 -2.207 175 HA ARG 27 HA ARG 27 7.870 6.030 -1.233 176 HB2 ARG 27 HB3 ARG 27 6.866 8.311 -1.326 177 HB3 ARG 27 HB2 ARG 27 6.839 7.409 -2.832 178 HG2 ARG 27 HG3 ARG 27 4.528 6.742 -2.295 179 HG3 ARG 27 HG2 ARG 27 4.582 7.836 -0.921 180 HD2 ARG 27 HD3 ARG 27 3.507 8.961 -2.762 181 HD3 ARG 27 HD2 ARG 27 5.083 9.700 -2.479 182 HE ARG 27 HE ARG 27 5.189 7.628 -4.449 183 HH11 ARG 27 HH11 ARG 27 4.362 10.993 -3.958 184 HH12 ARG 27 HH12 ARG 27 4.646 11.432 -5.610 185 HH21 ARG 27 HH22 ARG 27 5.549 8.195 -6.618 186 HH22 ARG 27 HH21 ARG 27 5.321 9.839 -7.126 187 H LEU 28 H LEU 28 4.665 5.914 0.272 188 HA LEU 28 HA LEU 28 5.692 7.350 2.579 189 HB2 LEU 28 HB3 LEU 28 2.932 6.277 2.015 190 HB3 LEU 28 HB2 LEU 28 3.372 7.237 3.414 191 HG LEU 28 HG LEU 28 3.363 8.139 0.536 192 HD11 LEU 28 HD11 LEU 28 1.650 9.703 1.324 193 HD12 LEU 28 HD12 LEU 28 1.715 8.959 2.921 194 HD13 LEU 28 HD13 LEU 28 1.158 8.022 1.534 195 HD21 LEU 28 HD21 LEU 28 4.231 9.616 3.017 196 HD22 LEU 28 HD22 LEU 28 3.990 10.346 1.431 197 HD23 LEU 28 HD23 LEU 28 5.257 9.142 1.661 198 H GLU 29 H GLU 29 4.495 4.088 1.842 199 HA GLU 29 HA GLU 29 4.993 3.403 4.644 200 HB2 GLU 29 HB2 GLU 29 3.241 2.095 2.576 201 HB3 GLU 29 HB3 GLU 29 3.569 1.383 4.146 202 HG2 GLU 29 HG2 GLU 29 2.734 3.517 5.172 203 HG3 GLU 29 HG3 GLU 29 2.192 3.975 3.561 204 H LYS 30 H LYS 30 6.529 3.249 1.825 205 HA LYS 30 HA LYS 30 8.478 2.261 1.171 206 HB2 LYS 30 HB3 LYS 30 8.460 0.923 3.878 207 HB3 LYS 30 HB2 LYS 30 9.840 1.101 2.807 208 HG2 LYS 30 HG3 LYS 30 9.965 3.421 3.181 209 HG3 LYS 30 HG2 LYS 30 8.366 3.464 3.926 210 HD2 LYS 30 HD3 LYS 30 10.600 1.855 5.117 211 HD3 LYS 30 HD2 LYS 30 10.435 3.577 5.453 212 HE2 LYS 30 HE3 LYS 30 9.369 2.352 7.218 213 HE3 LYS 30 HE2 LYS 30 8.126 3.144 6.257 214 HZ1 LYS 30 HZ1 LYS 30 7.658 0.795 6.917 215 HZ2 LYS 30 HZ2 LYS 30 8.893 0.305 5.872 216 HZ3 LYS 30 HZ3 LYS 30 7.530 1.101 5.259 217 H ALA 31 H ALA 31 5.832 0.967 0.828 218 HA ALA 31 HA ALA 31 6.253 -1.869 1.053 219 HB1 ALA 31 HB1 ALA 31 4.131 -0.463 -0.548 220 HB2 ALA 31 HB2 ALA 31 4.021 -0.718 1.193 221 HB3 ALA 31 HB3 ALA 31 4.087 -2.103 0.098 222 H ARG 32 H ARG 32 6.411 -3.343 -0.674 223 HA ARG 32 HA ARG 32 8.058 -2.404 -2.850 224 HB2 ARG 32 HB3 ARG 32 7.017 -5.182 -2.242 225 HB3 ARG 32 HB2 ARG 32 8.293 -4.778 -3.378 226 HG2 ARG 32 HG3 ARG 32 8.430 -4.291 -0.413 227 HG3 ARG 32 HG2 ARG 32 9.130 -5.680 -1.243 228 HD2 ARG 32 HD3 ARG 32 9.831 -2.800 -1.790 229 HD3 ARG 32 HD2 ARG 32 10.776 -3.896 -0.785 230 HE ARG 32 HE ARG 32 10.597 -5.229 -3.126 231 HH11 ARG 32 HH11 ARG 32 11.586 -1.975 -2.303 232 HH12 ARG 32 HH12 ARG 32 12.712 -1.853 -3.615 233 HH21 ARG 32 HH22 ARG 32 12.076 -5.070 -4.857 234 HH22 ARG 32 HH21 ARG 32 12.981 -3.603 -5.074 235 H HIS 33 H HIS 33 4.829 -3.564 -2.310 236 HA HIS 33 HA HIS 33 4.025 -2.649 -4.946 237 HB2 HIS 33 HB3 HIS 33 4.568 -5.028 -5.298 238 HB3 HIS 33 HB2 HIS 33 3.508 -5.479 -3.970 239 HD1 HIS 33 HD1 HIS 33 3.274 -3.813 -7.385 240 HD2 HIS 33 HD2 HIS 33 0.976 -6.069 -4.755 241 HE1 HIS 33 HE1 HIS 33 1.099 -4.226 -8.567 242 HE2 HIS 33 HE2 HIS 33 -0.170 -5.793 -7.058 243 H GLY 34 H GLY 34 1.661 -2.431 -5.082 244 HA2 GLY 34 HA2 GLY 34 0.152 -2.787 -2.624 245 HA3 GLY 34 HA3 GLY 34 0.333 -1.132 -3.184 246 H SER 35 H SER 35 -2.112 -2.709 -2.965 247 HA SER 35 HA SER 35 -3.061 -2.298 -5.680 248 HB2 SER 35 HB2 SER 35 -2.266 -4.687 -5.556 249 HB3 SER 35 HB3 SER 35 -3.480 -4.963 -4.310 250 HG SER 35 HG SER 35 -4.633 -5.457 -6.013 251 H CYS 36 H CYS 36 -5.343 -2.158 -5.795 252 HA CYS 36 HA CYS 36 -6.520 -1.316 -3.264 253 HB2 CYS 36 HB3 CYS 36 -6.600 0.118 -5.343 254 HB3 CYS 36 HB2 CYS 36 -7.710 -1.064 -6.029 255 H ASN 37 H ASN 37 -6.467 -3.612 -2.676 256 HA ASN 37 HA ASN 37 -8.044 -5.505 -4.124 257 HB2 ASN 37 HB3 ASN 37 -6.399 -6.670 -3.158 258 HB3 ASN 37 HB2 ASN 37 -6.170 -5.505 -1.863 259 HD21 ASN 37 HD21 ASN 37 -7.537 -5.642 -0.062 260 HD22 ASN 37 HD22 ASN 37 -8.143 -7.171 0.412 261 H TYR 38 H TYR 38 -9.733 -6.761 -3.167 262 HA TYR 38 HA TYR 38 -11.678 -4.932 -2.005 263 HB2 TYR 38 HB2 TYR 38 -12.251 -6.279 -4.010 264 HB3 TYR 38 HB3 TYR 38 -12.105 -7.738 -3.034 265 HD1 TYR 38 HD2 TYR 38 -13.906 -4.485 -3.118 266 HD2 TYR 38 HD1 TYR 38 -13.993 -8.571 -1.956 267 HE1 TYR 38 HE2 TYR 38 -16.244 -4.229 -2.425 268 HE2 TYR 38 HE1 TYR 38 -16.333 -8.328 -1.253 269 HH TYR 38 HH TYR 38 -18.232 -5.652 -2.096 270 H VAL 39 H VAL 39 -10.867 -4.867 0.133 271 HA VAL 39 HA VAL 39 -11.272 -7.223 1.782 272 HB VAL 39 HB VAL 39 -10.800 -4.344 2.608 273 HG11 VAL 39 HG21 VAL 39 -10.745 -6.880 4.240 274 HG12 VAL 39 HG22 VAL 39 -11.953 -5.600 4.341 275 HG13 VAL 39 HG23 VAL 39 -10.287 -5.278 4.819 276 HG21 VAL 39 HG13 VAL 39 -8.886 -5.262 1.424 277 HG22 VAL 39 HG11 VAL 39 -8.892 -6.674 2.480 278 HG23 VAL 39 HG12 VAL 39 -8.524 -5.081 3.140 279 H PHE 40 H PHE 40 -13.366 -7.823 1.666 280 HA PHE 40 HA PHE 40 -15.622 -6.455 1.156 281 HB2 PHE 40 HB2 PHE 40 -15.510 -8.896 1.480 282 HB3 PHE 40 HB3 PHE 40 -15.358 -8.653 3.212 283 HD1 PHE 40 HD1 PHE 40 -17.632 -8.518 0.349 284 HD2 PHE 40 HD2 PHE 40 -17.260 -8.091 4.566 285 HE1 PHE 40 HE1 PHE 40 -20.079 -8.594 0.568 286 HE2 PHE 40 HE2 PHE 40 -19.706 -8.165 4.794 287 HZ PHE 40 HZ PHE 40 -21.120 -8.415 2.794 288 HA PRO 41 HA PRO 41 -17.389 -5.913 1.302 289 HB2 PRO 41 HB3 PRO 41 -19.334 -4.162 1.664 290 HB3 PRO 41 HB2 PRO 41 -19.206 -5.573 2.723 291 HG2 PRO 41 HG3 PRO 41 -18.506 -2.731 3.265 292 HG3 PRO 41 HG2 PRO 41 -19.143 -3.960 4.370 293 HD2 PRO 41 HD3 PRO 41 -16.420 -3.184 4.016 294 HD3 PRO 41 HD2 PRO 41 -17.041 -4.505 5.026 295 H ALA 42 H ALA 42 -15.013 -3.936 1.464 296 HA ALA 42 HA ALA 42 -15.879 -2.265 -0.775 297 HB1 ALA 42 HB1 ALA 42 -14.544 -1.101 1.663 298 HB2 ALA 42 HB2 ALA 42 -16.251 -0.924 1.258 299 HB3 ALA 42 HB3 ALA 42 -15.018 -0.228 0.207 300 H HIS 43 H HIS 43 -14.075 -1.215 -1.901 301 HA HIS 43 HA HIS 43 -11.726 -2.867 -2.001 302 HB2 HIS 43 HB3 HIS 43 -12.654 -0.449 -3.504 303 HB3 HIS 43 HB2 HIS 43 -10.961 -0.922 -3.591 304 HD1 HIS 43 HD1 HIS 43 -10.370 -2.961 -5.000 305 HD2 HIS 43 HD2 HIS 43 -14.466 -2.281 -4.703 306 HE1 HIS 43 HE1 HIS 43 -11.439 -4.506 -6.671 307 HE2 HIS 43 HE2 HIS 43 -13.900 -3.980 -6.568 308 H LYS 44 H LYS 44 -9.868 -2.579 -1.002 309 HA LYS 44 HA LYS 44 -9.491 -0.085 0.509 310 HB2 LYS 44 HB3 LYS 44 -9.132 -2.941 1.381 311 HB3 LYS 44 HB2 LYS 44 -8.274 -1.629 2.180 312 HG2 LYS 44 HG3 LYS 44 -11.251 -1.671 1.863 313 HG3 LYS 44 HG2 LYS 44 -10.424 -2.370 3.258 314 HD2 LYS 44 HD3 LYS 44 -9.417 -0.188 3.732 315 HD3 LYS 44 HD2 LYS 44 -10.250 0.498 2.337 316 HE2 LYS 44 HE3 LYS 44 -12.401 -0.017 3.364 317 HE3 LYS 44 HE2 LYS 44 -11.574 -0.722 4.753 318 HZ1 LYS 44 HZ1 LYS 44 -12.335 1.586 5.103 319 HZ2 LYS 44 HZ2 LYS 44 -11.270 2.101 3.893 320 HZ3 LYS 44 HZ3 LYS 44 -10.667 1.396 5.308 321 H CYS 45 H CYS 45 -7.444 0.671 0.681 322 HA CYS 45 HA CYS 45 -5.606 -0.111 -1.374 323 HB2 CYS 45 HB3 CYS 45 -5.849 2.243 -0.612 324 HB3 CYS 45 HB2 CYS 45 -5.198 1.783 0.957 325 H ILE 46 H ILE 46 -4.552 -1.978 -1.158 326 HA ILE 46 HA ILE 46 -3.614 -2.719 1.525 327 HB ILE 46 HB ILE 46 -4.312 -4.518 -0.812 328 HG12 ILE 46 HG13 ILE 46 -6.292 -3.774 0.309 329 HG13 ILE 46 HG12 ILE 46 -5.968 -5.428 0.813 330 HG21 ILE 46 HG21 ILE 46 -2.362 -5.373 0.374 331 HG22 ILE 46 HG22 ILE 46 -3.783 -6.384 0.650 332 HG23 ILE 46 HG23 ILE 46 -3.241 -5.258 1.902 333 HD11 ILE 46 HD11 ILE 46 -6.678 -4.145 2.697 334 HD12 ILE 46 HD12 ILE 46 -5.432 -2.936 2.395 335 HD13 ILE 46 HD13 ILE 46 -4.977 -4.566 2.893 336 H CYS 47 H CYS 47 -1.582 -2.210 1.770 337 HA CYS 47 HA CYS 47 0.312 -2.149 -0.397 338 HB2 CYS 47 HB3 CYS 47 0.841 -1.962 2.583 339 HB3 CYS 47 HB2 CYS 47 1.921 -1.472 1.290 340 H TYR 48 H TYR 48 2.074 -3.571 -0.654 341 HA TYR 48 HA TYR 48 1.755 -6.131 0.758 342 HB2 TYR 48 HB2 TYR 48 2.777 -5.505 -2.003 343 HB3 TYR 48 HB3 TYR 48 2.991 -7.074 -1.239 344 HD1 TYR 48 HD2 TYR 48 0.471 -4.677 -2.461 345 HD2 TYR 48 HD1 TYR 48 1.226 -8.647 -1.175 346 HE1 TYR 48 HE2 TYR 48 -1.741 -5.349 -3.274 347 HE2 TYR 48 HE1 TYR 48 -0.964 -9.345 -1.997 348 HH TYR 48 HH TYR 48 -3.135 -8.381 -2.519 349 H PHE 49 H PHE 49 3.261 -6.698 2.104 350 HA PHE 49 HA PHE 49 5.998 -5.677 1.716 351 HB2 PHE 49 HB2 PHE 49 4.575 -6.260 4.324 352 HB3 PHE 49 HB3 PHE 49 6.264 -5.791 4.179 353 HD1 PHE 49 HD1 PHE 49 6.862 -3.514 3.483 354 HD2 PHE 49 HD2 PHE 49 2.819 -4.654 4.131 355 HE1 PHE 49 HE1 PHE 49 6.206 -1.147 3.572 356 HE2 PHE 49 HE2 PHE 49 2.157 -2.297 4.222 357 HZ PHE 49 HZ PHE 49 3.846 -0.540 3.937 358 HA PRO 50 HA PRO 50 7.164 -9.854 1.022 359 HB2 PRO 50 HB3 PRO 50 9.593 -9.116 2.574 360 HB3 PRO 50 HB2 PRO 50 9.460 -9.843 0.970 361 HG2 PRO 50 HG3 PRO 50 10.103 -7.271 1.261 362 HG3 PRO 50 HG2 PRO 50 9.058 -7.815 -0.065 363 HD2 PRO 50 HD3 PRO 50 8.343 -6.379 2.447 364 HD3 PRO 50 HD2 PRO 50 7.622 -6.264 0.830 365 H CYS 51 H CYS 51 6.424 -11.541 2.097 366 HA CYS 51 HA CYS 51 5.923 -11.673 4.841 367 HB2 CYS 51 HB3 CYS 51 6.416 -13.971 2.936 368 HB3 CYS 51 HB2 CYS 51 5.613 -14.080 4.497 Start of MODEL 3 1 HA PCA 1 HA PCA 1 6.357 -13.912 -5.865 2 HB2 PCA 1 HB2 PCA 1 6.750 -11.738 -6.322 3 HB3 PCA 1 HB3 PCA 1 5.726 -11.300 -4.949 4 HG2 PCA 1 HG2 PCA 1 4.060 -10.670 -6.365 5 H ARG 2 H ARG 2 7.003 -14.100 -3.732 6 HA ARG 2 HA ARG 2 4.910 -14.620 -1.835 7 HB2 ARG 2 HB3 ARG 2 6.791 -15.133 -0.264 8 HB3 ARG 2 HB2 ARG 2 6.812 -16.068 -1.751 9 HG2 ARG 2 HG3 ARG 2 8.945 -15.496 -1.931 10 HG3 ARG 2 HG2 ARG 2 8.383 -13.873 -2.333 11 HD2 ARG 2 HD3 ARG 2 8.352 -13.415 0.155 12 HD3 ARG 2 HD2 ARG 2 9.227 -14.933 0.351 13 HE ARG 2 HE ARG 2 10.594 -13.432 -1.545 14 HH11 ARG 2 HH11 ARG 2 9.788 -13.238 1.863 15 HH12 ARG 2 HH12 ARG 2 11.179 -12.277 2.257 16 HH21 ARG 2 HH22 ARG 2 12.408 -12.161 -1.026 17 HH22 ARG 2 HH21 ARG 2 12.663 -11.655 0.616 18 H LEU 3 H LEU 3 3.836 -12.832 -1.337 19 HA LEU 3 HA LEU 3 5.301 -10.752 0.131 20 HB2 LEU 3 HB3 LEU 3 3.056 -10.314 -1.844 21 HB3 LEU 3 HB2 LEU 3 3.722 -9.082 -0.792 22 HG LEU 3 HG LEU 3 5.419 -10.519 -2.826 23 HD11 LEU 3 HD11 LEU 3 5.062 -8.617 -4.313 24 HD12 LEU 3 HD12 LEU 3 3.884 -7.948 -3.184 25 HD13 LEU 3 HD13 LEU 3 3.552 -9.473 -4.004 26 HD21 LEU 3 HD21 LEU 3 6.596 -9.332 -1.046 27 HD22 LEU 3 HD22 LEU 3 5.694 -7.863 -1.422 28 HD23 LEU 3 HD23 LEU 3 6.822 -8.533 -2.601 29 H CYS 4 H CYS 4 4.054 -9.721 1.770 30 HA CYS 4 HA CYS 4 1.568 -11.136 2.453 31 HB2 CYS 4 HB3 CYS 4 3.828 -10.285 4.268 32 HB3 CYS 4 HB2 CYS 4 2.224 -10.701 4.873 33 H GLU 5 H GLU 5 -0.082 -9.849 2.322 34 HA GLU 5 HA GLU 5 0.225 -7.086 1.825 35 HB2 GLU 5 HB2 GLU 5 -2.346 -8.518 2.469 36 HB3 GLU 5 HB3 GLU 5 -2.152 -7.014 1.582 37 HG2 GLU 5 HG2 GLU 5 -2.426 -8.385 -0.177 38 HG3 GLU 5 HG3 GLU 5 -0.687 -8.589 0.022 39 H LYS 6 H LYS 6 -0.630 -5.327 2.916 40 HA LYS 6 HA LYS 6 -1.294 -5.627 5.747 41 HB2 LYS 6 HB3 LYS 6 1.145 -5.261 5.611 42 HB3 LYS 6 HB2 LYS 6 0.872 -3.830 4.645 43 HG2 LYS 6 HG3 LYS 6 -0.400 -3.926 7.314 44 HG3 LYS 6 HG2 LYS 6 1.350 -3.730 7.240 45 HD2 LYS 6 HD3 LYS 6 1.068 -1.783 5.779 46 HD3 LYS 6 HD2 LYS 6 -0.682 -1.982 5.856 47 HE2 LYS 6 HE3 LYS 6 1.088 -1.485 8.243 48 HE3 LYS 6 HE2 LYS 6 0.210 -0.226 7.379 49 HZ1 LYS 6 HZ1 LYS 6 -0.994 -0.947 9.335 50 HZ2 LYS 6 HZ2 LYS 6 -1.010 -2.542 8.780 51 HZ3 LYS 6 HZ3 LYS 6 -1.861 -1.344 7.937 52 HA PRO 7 HA PRO 7 -4.396 -2.738 4.293 53 HB2 PRO 7 HB3 PRO 7 -5.215 -1.955 6.820 54 HB3 PRO 7 HB2 PRO 7 -5.831 -3.362 5.949 55 HG2 PRO 7 HG3 PRO 7 -3.765 -3.214 8.093 56 HG3 PRO 7 HG2 PRO 7 -5.012 -4.442 7.815 57 HD2 PRO 7 HD3 PRO 7 -2.431 -4.849 7.170 58 HD3 PRO 7 HD2 PRO 7 -3.760 -5.526 6.205 59 H SER 8 H SER 8 -3.958 -0.787 3.578 60 HA SER 8 HA SER 8 -1.703 0.661 4.133 61 HB2 SER 8 HB2 SER 8 -2.946 2.587 3.030 62 HB3 SER 8 HB3 SER 8 -2.887 1.081 2.113 63 HG SER 8 HG SER 8 -4.980 0.699 2.570 64 H GLY 9 H GLY 9 -1.035 1.995 5.652 65 HA2 GLY 9 HA2 GLY 9 -3.016 2.997 7.601 66 HA3 GLY 9 HA3 GLY 9 -1.293 2.807 7.909 67 H THR 10 H THR 10 -1.734 3.968 4.847 68 HA THR 10 HA THR 10 -1.296 6.740 5.741 69 HB THR 10 HB THR 10 -0.148 6.963 3.454 70 HG1 THR 10 HG1 THR 10 0.158 4.133 3.719 71 HG21 THR 10 HG21 THR 10 1.091 7.009 5.537 72 HG22 THR 10 HG22 THR 10 1.978 6.071 4.336 73 HG23 THR 10 HG23 THR 10 1.083 5.248 5.612 74 H TRP 11 H TRP 11 -3.338 4.646 4.137 75 HA TRP 11 HA TRP 11 -4.477 6.660 2.369 76 HB2 TRP 11 HB3 TRP 11 -4.111 4.190 1.766 77 HB3 TRP 11 HB2 TRP 11 -5.477 3.853 2.808 78 HD1 TRP 11 HD1 TRP 11 -7.898 4.459 1.862 79 HE1 TRP 11 HE1 TRP 11 -8.749 5.076 -0.483 80 HE3 TRP 11 HE3 TRP 11 -3.413 5.425 -0.392 81 HZ2 TRP 11 HZ2 TRP 11 -7.657 5.841 -2.967 82 HZ3 TRP 11 HZ3 TRP 11 -3.404 6.085 -2.757 83 HH2 TRP 11 HH2 TRP 11 -5.481 6.288 -4.020 84 H SER 12 H SER 12 -6.977 6.629 2.426 85 HA SER 12 HA SER 12 -8.108 6.428 5.075 86 HB2 SER 12 HB2 SER 12 -7.807 9.145 3.767 87 HB3 SER 12 HB3 SER 12 -8.666 8.810 5.271 88 HG SER 12 HG SER 12 -6.329 7.778 5.649 89 H GLY 13 H GLY 13 -10.297 6.225 5.025 90 HA2 GLY 13 HA2 GLY 13 -12.445 6.212 4.191 91 HA3 GLY 13 HA3 GLY 13 -11.890 7.224 2.865 92 H VAL 14 H VAL 14 -13.212 5.977 1.450 93 HA VAL 14 HA VAL 14 -12.608 3.200 1.047 94 HB VAL 14 HB VAL 14 -14.888 4.243 0.739 95 HG11 VAL 14 HG21 VAL 14 -15.373 5.316 -1.399 96 HG12 VAL 14 HG22 VAL 14 -13.659 5.266 -1.813 97 HG13 VAL 14 HG23 VAL 14 -14.208 6.247 -0.457 98 HG21 VAL 14 HG13 VAL 14 -14.376 2.029 -0.075 99 HG22 VAL 14 HG11 VAL 14 -13.731 2.703 -1.568 100 HG23 VAL 14 HG12 VAL 14 -15.447 2.864 -1.198 101 H CYS 15 H CYS 15 -11.830 2.364 -1.007 102 HA CYS 15 HA CYS 15 -9.952 4.223 -2.298 103 HB2 CYS 15 HB3 CYS 15 -8.650 2.657 -1.115 104 HB3 CYS 15 HB2 CYS 15 -9.696 1.318 -1.561 105 H GLY 16 H GLY 16 -9.666 4.060 -4.556 106 HA2 GLY 16 HA2 GLY 16 -11.595 2.385 -5.998 107 HA3 GLY 16 HA3 GLY 16 -11.663 4.127 -6.215 108 H ASN 17 H ASN 17 -8.593 2.568 -5.763 109 HA ASN 17 HA ASN 17 -7.968 2.518 -8.574 110 HB2 ASN 17 HB3 ASN 17 -6.158 4.275 -8.329 111 HB3 ASN 17 HB2 ASN 17 -7.807 4.886 -8.339 112 HD21 ASN 17 HD21 ASN 17 -8.693 5.731 -6.463 113 HD22 ASN 17 HD22 ASN 17 -7.709 6.163 -5.101 114 H ASN 18 H ASN 18 -6.225 1.283 -8.993 115 HA ASN 18 HA ASN 18 -5.032 -0.088 -6.722 116 HB2 ASN 18 HB3 ASN 18 -4.926 -0.577 -9.700 117 HB3 ASN 18 HB2 ASN 18 -3.981 -1.511 -8.546 118 HD21 ASN 18 HD21 ASN 18 -6.116 -2.323 -10.379 119 HD22 ASN 18 HD22 ASN 18 -7.311 -3.081 -9.386 120 H GLY 19 H GLY 19 -4.172 2.252 -9.129 121 HA2 GLY 19 HA2 GLY 19 -1.345 1.782 -8.910 122 HA3 GLY 19 HA3 GLY 19 -2.117 3.010 -9.866 123 H ALA 20 H ALA 20 -3.372 4.625 -8.258 124 HA ALA 20 HA ALA 20 -1.376 6.128 -6.988 125 HB1 ALA 20 HB1 ALA 20 -3.202 7.460 -6.038 126 HB2 ALA 20 HB2 ALA 20 -4.361 6.211 -6.497 127 HB3 ALA 20 HB3 ALA 20 -3.491 7.108 -7.742 128 H CYS 21 H CYS 21 -3.672 3.774 -5.738 129 HA CYS 21 HA CYS 21 -2.966 3.853 -3.031 130 HB2 CYS 21 HB3 CYS 21 -4.895 2.609 -3.608 131 HB3 CYS 21 HB2 CYS 21 -4.028 1.668 -4.815 132 H ARG 22 H ARG 22 -1.627 1.932 -5.734 133 HA ARG 22 HA ARG 22 0.150 0.419 -4.122 134 HB2 ARG 22 HB3 ARG 22 -0.552 -0.201 -6.424 135 HB3 ARG 22 HB2 ARG 22 0.390 1.143 -7.051 136 HG2 ARG 22 HG3 ARG 22 2.432 0.128 -6.341 137 HG3 ARG 22 HG2 ARG 22 1.557 -1.147 -5.488 138 HD2 ARG 22 HD3 ARG 22 1.695 -0.687 -8.467 139 HD3 ARG 22 HD2 ARG 22 2.318 -2.054 -7.555 140 HE ARG 22 HE ARG 22 -0.144 -2.436 -6.977 141 HH11 ARG 22 HH11 ARG 22 0.964 -1.090 -10.016 142 HH12 ARG 22 HH12 ARG 22 -0.399 -1.672 -10.912 143 HH21 ARG 22 HH22 ARG 22 -1.935 -3.213 -8.168 144 HH22 ARG 22 HH21 ARG 22 -2.042 -2.878 -9.867 145 H ASN 23 H ASN 23 0.579 3.259 -6.133 146 HA ASN 23 HA ASN 23 3.297 3.710 -5.795 147 HB2 ASN 23 HB3 ASN 23 1.861 4.816 -7.458 148 HB3 ASN 23 HB2 ASN 23 1.054 5.702 -6.180 149 HD21 ASN 23 HD21 ASN 23 1.572 7.673 -6.934 150 HD22 ASN 23 HD22 ASN 23 3.174 8.311 -6.933 151 H GLN 24 H GLN 24 0.562 4.893 -3.910 152 HA GLN 24 HA GLN 24 1.953 6.590 -2.171 153 HB2 GLN 24 HB2 GLN 24 -0.547 6.387 -2.373 154 HB3 GLN 24 HB3 GLN 24 -0.447 4.915 -1.425 155 HG2 GLN 24 HG3 GLN 24 0.570 6.191 0.409 156 HG3 GLN 24 HG2 GLN 24 0.373 7.667 -0.535 157 HE21 GLN 24 HE21 GLN 24 -1.208 5.202 1.301 158 HE22 GLN 24 HE22 GLN 24 -2.741 5.991 1.420 159 H CYS 25 H CYS 25 1.000 3.214 -1.743 160 HA CYS 25 HA CYS 25 2.208 2.692 0.689 161 HB2 CYS 25 HB3 CYS 25 1.865 0.860 -1.691 162 HB3 CYS 25 HB2 CYS 25 2.344 0.314 -0.092 163 H ILE 26 H ILE 26 3.658 2.665 -2.542 164 HA ILE 26 HA ILE 26 6.118 1.503 -1.958 165 HB ILE 26 HB ILE 26 5.813 3.808 -3.878 166 HG12 ILE 26 HG13 ILE 26 4.003 2.327 -4.418 167 HG13 ILE 26 HG12 ILE 26 5.272 2.097 -5.615 168 HG21 ILE 26 HG21 ILE 26 7.610 1.391 -3.869 169 HG22 ILE 26 HG22 ILE 26 8.079 3.052 -3.514 170 HG23 ILE 26 HG23 ILE 26 7.552 2.616 -5.137 171 HD11 ILE 26 HD11 ILE 26 4.270 0.002 -4.929 172 HD12 ILE 26 HD12 ILE 26 4.738 0.322 -3.257 173 HD13 ILE 26 HD13 ILE 26 5.977 0.072 -4.490 174 H ARG 27 H ARG 27 5.311 4.941 -2.099 175 HA ARG 27 HA ARG 27 7.933 5.664 -1.272 176 HB2 ARG 27 HB3 ARG 27 7.062 7.986 -1.447 177 HB3 ARG 27 HB2 ARG 27 6.952 7.026 -2.913 178 HG2 ARG 27 HG3 ARG 27 4.609 6.512 -2.253 179 HG3 ARG 27 HG2 ARG 27 4.773 7.737 -1.002 180 HD2 ARG 27 HD3 ARG 27 3.734 8.749 -2.925 181 HD3 ARG 27 HD2 ARG 27 5.370 9.383 -2.766 182 HE ARG 27 HE ARG 27 4.873 7.141 -4.593 183 HH11 ARG 27 HH11 ARG 27 5.752 10.501 -4.116 184 HH12 ARG 27 HH12 ARG 27 6.308 10.712 -5.745 185 HH21 ARG 27 HH22 ARG 27 5.591 7.424 -6.730 186 HH22 ARG 27 HH21 ARG 27 6.207 8.968 -7.235 187 H LEU 28 H LEU 28 4.731 5.844 0.254 188 HA LEU 28 HA LEU 28 5.811 7.287 2.500 189 HB2 LEU 28 HB3 LEU 28 3.086 6.064 2.090 190 HB3 LEU 28 HB2 LEU 28 3.537 7.074 3.450 191 HG LEU 28 HG LEU 28 3.378 7.919 0.559 192 HD11 LEU 28 HD11 LEU 28 1.605 9.402 1.378 193 HD12 LEU 28 HD12 LEU 28 1.762 8.688 2.984 194 HD13 LEU 28 HD13 LEU 28 1.214 7.701 1.629 195 HD21 LEU 28 HD21 LEU 28 4.220 9.498 2.986 196 HD22 LEU 28 HD22 LEU 28 3.906 10.172 1.388 197 HD23 LEU 28 HD23 LEU 28 5.243 9.047 1.622 198 H GLU 29 H GLU 29 4.231 4.091 2.213 199 HA GLU 29 HA GLU 29 5.182 3.433 4.865 200 HB2 GLU 29 HB2 GLU 29 3.265 2.161 2.947 201 HB3 GLU 29 HB3 GLU 29 3.838 1.279 4.354 202 HG2 GLU 29 HG2 GLU 29 3.082 3.197 5.764 203 HG3 GLU 29 HG3 GLU 29 2.391 3.910 4.313 204 H LYS 30 H LYS 30 6.541 3.364 1.994 205 HA LYS 30 HA LYS 30 8.409 2.396 1.131 206 HB2 LYS 30 HB3 LYS 30 8.733 1.341 3.945 207 HB3 LYS 30 HB2 LYS 30 9.977 1.310 2.705 208 HG2 LYS 30 HG3 LYS 30 8.719 3.791 3.855 209 HG3 LYS 30 HG2 LYS 30 10.301 3.141 4.291 210 HD2 LYS 30 HD3 LYS 30 11.069 3.455 1.994 211 HD3 LYS 30 HD2 LYS 30 9.481 4.076 1.540 212 HE2 LYS 30 HE3 LYS 30 11.325 5.312 3.580 213 HE3 LYS 30 HE2 LYS 30 11.117 5.872 1.921 214 HZ1 LYS 30 HZ1 LYS 30 9.795 7.181 3.437 215 HZ2 LYS 30 HZ2 LYS 30 9.009 5.799 4.013 216 HZ3 LYS 30 HZ3 LYS 30 8.779 6.299 2.408 217 H ALA 31 H ALA 31 5.882 1.047 1.017 218 HA ALA 31 HA ALA 31 6.416 -1.781 1.241 219 HB1 ALA 31 HB1 ALA 31 4.169 -0.729 1.641 220 HB2 ALA 31 HB2 ALA 31 4.167 -2.075 0.485 221 HB3 ALA 31 HB3 ALA 31 4.091 -0.414 -0.100 222 H ARG 32 H ARG 32 6.559 -3.214 -0.548 223 HA ARG 32 HA ARG 32 8.000 -2.024 -2.749 224 HB2 ARG 32 HB3 ARG 32 7.416 -4.907 -2.083 225 HB3 ARG 32 HB2 ARG 32 8.525 -4.345 -3.322 226 HG2 ARG 32 HG3 ARG 32 8.776 -3.882 -0.362 227 HG3 ARG 32 HG2 ARG 32 9.729 -4.998 -1.330 228 HD2 ARG 32 HD3 ARG 32 9.687 -1.994 -1.573 229 HD3 ARG 32 HD2 ARG 32 10.987 -2.968 -0.895 230 HE ARG 32 HE ARG 32 11.001 -3.983 -3.280 231 HH11 ARG 32 HH11 ARG 32 10.397 -0.622 -2.469 232 HH12 ARG 32 HH12 ARG 32 11.054 -0.013 -3.952 233 HH21 ARG 32 HH22 ARG 32 11.863 -3.181 -5.234 234 HH22 ARG 32 HH21 ARG 32 11.882 -1.472 -5.533 235 H HIS 33 H HIS 33 4.888 -3.397 -2.151 236 HA HIS 33 HA HIS 33 4.062 -2.641 -4.818 237 HB2 HIS 33 HB3 HIS 33 4.917 -5.081 -4.866 238 HB3 HIS 33 HB2 HIS 33 3.471 -5.471 -3.946 239 HD1 HIS 33 HD1 HIS 33 4.175 -3.480 -7.120 240 HD2 HIS 33 HD2 HIS 33 1.528 -6.319 -5.627 241 HE1 HIS 33 HE1 HIS 33 2.489 -3.853 -8.945 242 HE2 HIS 33 HE2 HIS 33 1.048 -5.751 -8.108 243 H GLY 34 H GLY 34 1.549 -3.245 -4.984 244 HA2 GLY 34 HA2 GLY 34 0.060 -3.533 -2.612 245 HA3 GLY 34 HA3 GLY 34 0.203 -1.827 -2.995 246 H SER 35 H SER 35 -2.287 -2.694 -2.969 247 HA SER 35 HA SER 35 -3.192 -2.161 -5.592 248 HB2 SER 35 HB2 SER 35 -2.453 -4.647 -5.709 249 HB3 SER 35 HB3 SER 35 -3.884 -4.966 -4.727 250 HG SER 35 HG SER 35 -5.120 -4.600 -6.401 251 H CYS 36 H CYS 36 -5.521 -2.043 -5.695 252 HA CYS 36 HA CYS 36 -6.669 -1.453 -3.086 253 HB2 CYS 36 HB3 CYS 36 -6.810 0.122 -5.069 254 HB3 CYS 36 HB2 CYS 36 -7.899 -1.041 -5.813 255 H ASN 37 H ASN 37 -6.709 -3.712 -2.519 256 HA ASN 37 HA ASN 37 -7.991 -5.683 -4.082 257 HB2 ASN 37 HB3 ASN 37 -7.041 -7.066 -2.590 258 HB3 ASN 37 HB2 ASN 37 -6.360 -5.632 -1.824 259 HD21 ASN 37 HD21 ASN 37 -7.545 -4.676 -0.100 260 HD22 ASN 37 HD22 ASN 37 -8.477 -5.681 0.932 261 H TYR 38 H TYR 38 -9.949 -6.786 -3.712 262 HA TYR 38 HA TYR 38 -12.018 -5.080 -2.568 263 HB2 TYR 38 HB2 TYR 38 -12.442 -5.996 -4.800 264 HB3 TYR 38 HB3 TYR 38 -12.270 -7.634 -4.171 265 HD1 TYR 38 HD1 TYR 38 -14.199 -4.544 -3.328 266 HD2 TYR 38 HD2 TYR 38 -14.240 -8.768 -3.784 267 HE1 TYR 38 HE1 TYR 38 -16.584 -4.575 -2.758 268 HE2 TYR 38 HE2 TYR 38 -16.630 -8.814 -3.223 269 HH TYR 38 HH TYR 38 -18.288 -7.507 -2.125 270 H VAL 39 H VAL 39 -11.301 -5.430 -0.400 271 HA VAL 39 HA VAL 39 -11.820 -8.022 0.756 272 HB VAL 39 HB VAL 39 -10.068 -6.736 1.789 273 HG11 VAL 39 HG21 VAL 39 -10.443 -4.576 2.870 274 HG12 VAL 39 HG22 VAL 39 -12.103 -4.569 2.278 275 HG13 VAL 39 HG23 VAL 39 -10.761 -4.502 1.137 276 HG21 VAL 39 HG13 VAL 39 -10.815 -6.662 4.118 277 HG22 VAL 39 HG11 VAL 39 -11.386 -8.113 3.295 278 HG23 VAL 39 HG12 VAL 39 -12.492 -6.770 3.580 279 H PHE 40 H PHE 40 -13.857 -8.624 0.641 280 HA PHE 40 HA PHE 40 -16.052 -7.140 0.071 281 HB2 PHE 40 HB2 PHE 40 -15.834 -9.661 0.126 282 HB3 PHE 40 HB3 PHE 40 -16.154 -9.570 1.851 283 HD1 PHE 40 HD2 PHE 40 -18.365 -8.913 2.676 284 HD2 PHE 40 HD1 PHE 40 -17.576 -9.361 -1.479 285 HE1 PHE 40 HE2 PHE 40 -20.783 -8.978 2.225 286 HE2 PHE 40 HE1 PHE 40 -19.988 -9.429 -1.936 287 HZ PHE 40 HZ PHE 40 -21.597 -9.235 -0.084 288 HA PRO 41 HA PRO 41 -17.741 -6.491 0.075 289 HB2 PRO 41 HB3 PRO 41 -19.679 -4.742 0.511 290 HB3 PRO 41 HB2 PRO 41 -19.732 -6.343 1.260 291 HG2 PRO 41 HG3 PRO 41 -19.123 -3.706 2.481 292 HG3 PRO 41 HG2 PRO 41 -19.849 -5.146 3.213 293 HD2 PRO 41 HD3 PRO 41 -17.103 -4.308 3.304 294 HD3 PRO 41 HD2 PRO 41 -17.824 -5.764 4.020 295 H ALA 42 H ALA 42 -15.411 -4.609 0.996 296 HA ALA 42 HA ALA 42 -16.081 -2.384 -0.816 297 HB1 ALA 42 HB1 ALA 42 -14.695 -2.076 1.841 298 HB2 ALA 42 HB2 ALA 42 -16.378 -1.662 1.512 299 HB3 ALA 42 HB3 ALA 42 -15.079 -0.786 0.702 300 H HIS 43 H HIS 43 -14.297 -1.274 -1.760 301 HA HIS 43 HA HIS 43 -11.884 -2.886 -2.041 302 HB2 HIS 43 HB3 HIS 43 -13.016 -0.537 -3.514 303 HB3 HIS 43 HB2 HIS 43 -11.291 -0.862 -3.616 304 HD1 HIS 43 HD1 HIS 43 -10.537 -2.888 -4.990 305 HD2 HIS 43 HD2 HIS 43 -14.668 -2.416 -4.803 306 HE1 HIS 43 HE1 HIS 43 -11.477 -4.450 -6.719 307 HE2 HIS 43 HE2 HIS 43 -13.969 -4.096 -6.640 308 H LYS 44 H LYS 44 -10.082 -2.494 -0.963 309 HA LYS 44 HA LYS 44 -9.729 0.153 0.259 310 HB2 LYS 44 HB3 LYS 44 -9.509 -2.537 1.587 311 HB3 LYS 44 HB2 LYS 44 -8.670 -1.128 2.221 312 HG2 LYS 44 HG3 LYS 44 -11.630 -1.250 1.750 313 HG3 LYS 44 HG2 LYS 44 -10.861 -1.598 3.300 314 HD2 LYS 44 HD3 LYS 44 -9.894 0.676 3.281 315 HD3 LYS 44 HD2 LYS 44 -10.748 1.005 1.774 316 HE2 LYS 44 HE3 LYS 44 -11.954 1.920 3.682 317 HE3 LYS 44 HE2 LYS 44 -12.884 0.645 2.896 318 HZ1 LYS 44 HZ1 LYS 44 -12.915 0.481 5.326 319 HZ2 LYS 44 HZ2 LYS 44 -11.237 0.274 5.338 320 HZ3 LYS 44 HZ3 LYS 44 -12.227 -0.886 4.611 321 H CYS 45 H CYS 45 -7.603 0.755 0.665 322 HA CYS 45 HA CYS 45 -5.793 -0.184 -1.357 323 HB2 CYS 45 HB3 CYS 45 -5.984 2.221 -0.732 324 HB3 CYS 45 HB2 CYS 45 -5.320 1.833 0.852 325 H ILE 46 H ILE 46 -4.416 -1.798 -1.108 326 HA ILE 46 HA ILE 46 -3.638 -2.530 1.630 327 HB ILE 46 HB ILE 46 -4.344 -4.384 -0.652 328 HG12 ILE 46 HG13 ILE 46 -6.256 -3.464 0.538 329 HG13 ILE 46 HG12 ILE 46 -6.077 -5.188 0.842 330 HG21 ILE 46 HG21 ILE 46 -3.835 -6.217 0.876 331 HG22 ILE 46 HG22 ILE 46 -3.257 -5.058 2.075 332 HG23 ILE 46 HG23 ILE 46 -2.405 -5.239 0.541 333 HD11 ILE 46 HD11 ILE 46 -5.406 -2.928 2.689 334 HD12 ILE 46 HD12 ILE 46 -4.987 -4.615 2.995 335 HD13 ILE 46 HD13 ILE 46 -6.680 -4.134 2.867 336 H CYS 47 H CYS 47 -1.565 -2.277 1.937 337 HA CYS 47 HA CYS 47 0.267 -2.069 -0.304 338 HB2 CYS 47 HB3 CYS 47 0.855 -1.846 2.655 339 HB3 CYS 47 HB2 CYS 47 1.874 -1.297 1.334 340 H TYR 48 H TYR 48 1.827 -3.549 -0.818 341 HA TYR 48 HA TYR 48 1.715 -6.098 0.636 342 HB2 TYR 48 HB2 TYR 48 2.640 -5.392 -2.142 343 HB3 TYR 48 HB3 TYR 48 2.991 -6.945 -1.404 344 HD1 TYR 48 HD2 TYR 48 -0.156 -4.931 -1.301 345 HD2 TYR 48 HD1 TYR 48 1.774 -8.484 -2.611 346 HE1 TYR 48 HE2 TYR 48 -2.304 -5.784 -2.118 347 HE2 TYR 48 HE1 TYR 48 -0.367 -9.357 -3.421 348 HH TYR 48 HH TYR 48 -2.743 -9.043 -3.072 349 H PHE 49 H PHE 49 3.300 -6.602 1.958 350 HA PHE 49 HA PHE 49 5.937 -5.386 1.499 351 HB2 PHE 49 HB2 PHE 49 4.705 -6.277 4.108 352 HB3 PHE 49 HB3 PHE 49 6.344 -5.681 3.922 353 HD1 PHE 49 HD1 PHE 49 2.787 -4.744 3.884 354 HD2 PHE 49 HD2 PHE 49 6.802 -3.363 3.637 355 HE1 PHE 49 HE1 PHE 49 2.016 -2.443 4.205 356 HE2 PHE 49 HE2 PHE 49 6.029 -1.054 3.962 357 HZ PHE 49 HZ PHE 49 3.629 -0.596 4.250 358 HA PRO 50 HA PRO 50 7.351 -9.529 0.837 359 HB2 PRO 50 HB3 PRO 50 10.007 -8.627 1.621 360 HB3 PRO 50 HB2 PRO 50 9.427 -9.207 0.059 361 HG2 PRO 50 HG3 PRO 50 10.079 -6.618 0.521 362 HG3 PRO 50 HG2 PRO 50 8.848 -7.103 -0.653 363 HD2 PRO 50 HD3 PRO 50 8.506 -6.007 2.112 364 HD3 PRO 50 HD2 PRO 50 7.548 -5.716 0.646 365 H CYS 51 H CYS 51 6.881 -10.977 2.304 366 HA CYS 51 HA CYS 51 7.913 -10.662 5.019 367 HB2 CYS 51 HB3 CYS 51 6.497 -12.822 5.362 368 HB3 CYS 51 HB2 CYS 51 5.697 -11.263 5.206 Start of MODEL 4 1 HA PCA 1 HA PCA 1 4.989 -13.566 -5.034 2 HB2 PCA 1 HB2 PCA 1 2.885 -12.763 -5.088 3 HB3 PCA 1 HB3 PCA 1 2.618 -13.346 -3.441 4 HG2 PCA 1 HG2 PCA 1 1.372 -15.070 -4.253 5 H ARG 2 H ARG 2 6.596 -13.264 -3.609 6 HA ARG 2 HA ARG 2 6.430 -14.422 -0.958 7 HB2 ARG 2 HB3 ARG 2 8.767 -13.383 -0.737 8 HB3 ARG 2 HB2 ARG 2 8.561 -14.685 -1.879 9 HG2 ARG 2 HG3 ARG 2 9.856 -13.219 -3.061 10 HG3 ARG 2 HG2 ARG 2 8.236 -12.805 -3.617 11 HD2 ARG 2 HD3 ARG 2 9.374 -10.773 -3.163 12 HD3 ARG 2 HD2 ARG 2 8.192 -11.028 -1.883 13 HE ARG 2 HE ARG 2 10.331 -12.065 -0.738 14 HH11 ARG 2 HH11 ARG 2 10.018 -9.087 -2.560 15 HH12 ARG 2 HH12 ARG 2 11.320 -8.298 -1.730 16 HH21 ARG 2 HH22 ARG 2 12.034 -11.029 0.357 17 HH22 ARG 2 HH21 ARG 2 12.467 -9.403 -0.061 18 H LEU 3 H LEU 3 4.486 -12.589 -1.284 19 HA LEU 3 HA LEU 3 5.372 -10.324 0.369 20 HB2 LEU 3 HB3 LEU 3 3.424 -10.267 -1.937 21 HB3 LEU 3 HB2 LEU 3 3.688 -8.938 -0.832 22 HG LEU 3 HG LEU 3 5.892 -10.081 -2.542 23 HD11 LEU 3 HD11 LEU 3 4.087 -7.739 -3.135 24 HD12 LEU 3 HD12 LEU 3 4.099 -9.280 -3.993 25 HD13 LEU 3 HD13 LEU 3 5.505 -8.217 -4.068 26 HD21 LEU 3 HD21 LEU 3 6.567 -8.769 -0.573 27 HD22 LEU 3 HD22 LEU 3 5.585 -7.423 -1.148 28 HD23 LEU 3 HD23 LEU 3 6.981 -7.959 -2.083 29 H CYS 4 H CYS 4 4.164 -9.926 2.110 30 HA CYS 4 HA CYS 4 1.525 -11.220 2.297 31 HB2 CYS 4 HB3 CYS 4 3.594 -10.621 4.399 32 HB3 CYS 4 HB2 CYS 4 1.896 -10.772 4.841 33 H GLU 5 H GLU 5 -0.115 -9.895 2.136 34 HA GLU 5 HA GLU 5 0.307 -7.131 1.744 35 HB2 GLU 5 HB2 GLU 5 -2.360 -8.466 2.182 36 HB3 GLU 5 HB3 GLU 5 -2.034 -6.965 1.328 37 HG2 GLU 5 HG2 GLU 5 -2.300 -8.335 -0.445 38 HG3 GLU 5 HG3 GLU 5 -0.571 -8.547 -0.186 39 H LYS 6 H LYS 6 -0.550 -5.375 2.839 40 HA LYS 6 HA LYS 6 -1.407 -5.742 5.611 41 HB2 LYS 6 HB3 LYS 6 1.105 -5.411 5.522 42 HB3 LYS 6 HB2 LYS 6 0.800 -3.847 4.801 43 HG2 LYS 6 HG3 LYS 6 -0.367 -3.112 6.788 44 HG3 LYS 6 HG2 LYS 6 -0.139 -4.701 7.524 45 HD2 LYS 6 HD3 LYS 6 2.281 -4.399 7.451 46 HD3 LYS 6 HD2 LYS 6 2.066 -2.824 6.682 47 HE2 LYS 6 HE3 LYS 6 0.920 -1.991 8.646 48 HE3 LYS 6 HE2 LYS 6 1.022 -3.577 9.407 49 HZ1 LYS 6 HZ1 LYS 6 3.316 -1.835 8.693 50 HZ2 LYS 6 HZ2 LYS 6 3.441 -3.373 9.379 51 HZ3 LYS 6 HZ3 LYS 6 2.727 -2.115 10.252 52 HA PRO 7 HA PRO 7 -4.301 -2.648 4.193 53 HB2 PRO 7 HB3 PRO 7 -4.983 -1.711 6.705 54 HB3 PRO 7 HB2 PRO 7 -5.719 -3.110 5.915 55 HG2 PRO 7 HG3 PRO 7 -3.548 -3.016 7.967 56 HG3 PRO 7 HG2 PRO 7 -4.906 -4.146 7.820 57 HD2 PRO 7 HD3 PRO 7 -2.432 -4.836 7.073 58 HD3 PRO 7 HD2 PRO 7 -3.857 -5.386 6.163 59 H SER 8 H SER 8 -3.903 -0.645 3.489 60 HA SER 8 HA SER 8 -1.513 0.678 4.050 61 HB2 SER 8 HB2 SER 8 -2.698 1.078 1.971 62 HB3 SER 8 HB3 SER 8 -4.070 1.760 2.846 63 HG SER 8 HG SER 8 -1.422 2.817 2.835 64 H GLY 9 H GLY 9 -0.889 2.124 5.502 65 HA2 GLY 9 HA2 GLY 9 -2.895 3.008 7.477 66 HA3 GLY 9 HA3 GLY 9 -1.169 2.869 7.777 67 H THR 10 H THR 10 -1.854 4.131 4.739 68 HA THR 10 HA THR 10 -1.456 6.875 5.740 69 HB THR 10 HB THR 10 -0.398 7.292 3.460 70 HG1 THR 10 HG1 THR 10 -0.076 4.447 3.462 71 HG21 THR 10 HG21 THR 10 0.935 7.163 5.496 72 HG22 THR 10 HG22 THR 10 1.789 6.401 4.155 73 HG23 THR 10 HG23 THR 10 0.987 5.404 5.368 74 H TRP 11 H TRP 11 -3.267 4.710 3.825 75 HA TRP 11 HA TRP 11 -4.755 6.782 2.452 76 HB2 TRP 11 HB3 TRP 11 -4.155 4.381 1.624 77 HB3 TRP 11 HB2 TRP 11 -5.538 3.888 2.578 78 HD1 TRP 11 HD1 TRP 11 -7.974 4.731 1.683 79 HE1 TRP 11 HE1 TRP 11 -8.752 5.495 -0.640 80 HE3 TRP 11 HE3 TRP 11 -3.401 5.512 -0.481 81 HZ2 TRP 11 HZ2 TRP 11 -7.583 6.277 -3.081 82 HZ3 TRP 11 HZ3 TRP 11 -3.326 6.240 -2.826 83 HH2 TRP 11 HH2 TRP 11 -5.371 6.621 -4.102 84 H SER 12 H SER 12 -7.218 6.516 2.598 85 HA SER 12 HA SER 12 -8.115 5.953 5.324 86 HB2 SER 12 HB2 SER 12 -8.608 8.603 3.936 87 HB3 SER 12 HB3 SER 12 -9.249 8.124 5.506 88 HG SER 12 HG SER 12 -6.686 8.935 4.794 89 H GLY 13 H GLY 13 -9.863 4.716 5.196 90 HA2 GLY 13 HA2 GLY 13 -11.940 3.956 4.578 91 HA3 GLY 13 HA3 GLY 13 -12.137 5.432 3.648 92 H VAL 14 H VAL 14 -13.158 4.284 1.976 93 HA VAL 14 HA VAL 14 -11.935 2.132 0.608 94 HB VAL 14 HB VAL 14 -14.372 2.598 0.607 95 HG11 VAL 14 HG21 VAL 14 -13.661 4.855 -1.253 96 HG12 VAL 14 HG22 VAL 14 -14.260 5.027 0.395 97 HG13 VAL 14 HG23 VAL 14 -15.288 4.313 -0.846 98 HG21 VAL 14 HG13 VAL 14 -13.068 2.508 -2.100 99 HG22 VAL 14 HG11 VAL 14 -14.746 2.092 -1.763 100 HG23 VAL 14 HG12 VAL 14 -13.445 1.132 -1.065 101 H CYS 15 H CYS 15 -10.908 2.141 -1.437 102 HA CYS 15 HA CYS 15 -9.653 4.721 -2.092 103 HB2 CYS 15 HB3 CYS 15 -7.844 3.280 -3.104 104 HB3 CYS 15 HB2 CYS 15 -7.996 3.190 -1.356 105 H GLY 16 H GLY 16 -9.447 5.357 -4.238 106 HA2 GLY 16 HA2 GLY 16 -11.320 4.011 -6.073 107 HA3 GLY 16 HA3 GLY 16 -10.853 5.707 -6.146 108 H ASN 17 H ASN 17 -8.084 4.259 -5.486 109 HA ASN 17 HA ASN 17 -7.384 3.714 -8.277 110 HB2 ASN 17 HB3 ASN 17 -6.219 5.834 -6.492 111 HB3 ASN 17 HB2 ASN 17 -5.312 5.180 -7.851 112 HD21 ASN 17 HD21 ASN 17 -7.946 7.160 -6.837 113 HD22 ASN 17 HD22 ASN 17 -8.252 7.878 -8.375 114 H ASN 18 H ASN 18 -6.579 1.697 -8.140 115 HA ASN 18 HA ASN 18 -5.349 0.723 -5.751 116 HB2 ASN 18 HB3 ASN 18 -4.993 -1.355 -6.969 117 HB3 ASN 18 HB2 ASN 18 -6.637 -0.781 -7.203 118 HD21 ASN 18 HD21 ASN 18 -4.989 -2.619 -8.769 119 HD22 ASN 18 HD22 ASN 18 -4.963 -1.975 -10.376 120 H GLY 19 H GLY 19 -4.192 2.011 -8.775 121 HA2 GLY 19 HA2 GLY 19 -1.457 1.282 -8.317 122 HA3 GLY 19 HA3 GLY 19 -2.046 2.359 -9.555 123 H ALA 20 H ALA 20 -3.367 4.227 -7.944 124 HA ALA 20 HA ALA 20 -1.284 5.877 -6.996 125 HB1 ALA 20 HB1 ALA 20 -3.016 7.297 -6.071 126 HB2 ALA 20 HB2 ALA 20 -4.201 5.999 -6.202 127 HB3 ALA 20 HB3 ALA 20 -3.527 6.725 -7.660 128 H CYS 21 H CYS 21 -3.502 3.647 -5.379 129 HA CYS 21 HA CYS 21 -2.546 3.866 -2.768 130 HB2 CYS 21 HB3 CYS 21 -3.928 1.770 -4.343 131 HB3 CYS 21 HB2 CYS 21 -3.096 1.241 -2.888 132 H ARG 22 H ARG 22 -1.468 1.746 -5.428 133 HA ARG 22 HA ARG 22 0.544 0.378 -4.073 134 HB2 ARG 22 HB3 ARG 22 -0.170 -0.239 -6.320 135 HB3 ARG 22 HB2 ARG 22 0.439 1.280 -6.959 136 HG2 ARG 22 HG3 ARG 22 2.727 0.578 -6.301 137 HG3 ARG 22 HG2 ARG 22 2.061 -0.987 -5.821 138 HD2 ARG 22 HD3 ARG 22 2.991 -1.091 -8.071 139 HD3 ARG 22 HD2 ARG 22 1.253 -1.340 -8.088 140 HE ARG 22 HE ARG 22 2.410 1.296 -8.700 141 HH11 ARG 22 HH11 ARG 22 0.386 -1.425 -9.588 142 HH12 ARG 22 HH12 ARG 22 -0.227 -0.664 -11.018 143 HH21 ARG 22 HH22 ARG 22 1.581 2.307 -10.579 144 HH22 ARG 22 HH21 ARG 22 0.453 1.453 -11.585 145 H ASN 23 H ASN 23 0.795 3.264 -6.066 146 HA ASN 23 HA ASN 23 3.460 3.882 -5.723 147 HB2 ASN 23 HB3 ASN 23 1.979 4.946 -7.348 148 HB3 ASN 23 HB2 ASN 23 1.073 5.711 -6.057 149 HD21 ASN 23 HD21 ASN 23 1.423 7.732 -6.861 150 HD22 ASN 23 HD22 ASN 23 2.955 8.523 -6.770 151 H GLN 24 H GLN 24 0.691 4.968 -3.802 152 HA GLN 24 HA GLN 24 2.107 6.606 -2.014 153 HB2 GLN 24 HB2 GLN 24 -0.431 6.387 -2.333 154 HB3 GLN 24 HB3 GLN 24 -0.335 5.028 -1.227 155 HG2 GLN 24 HG3 GLN 24 0.584 6.453 0.497 156 HG3 GLN 24 HG2 GLN 24 0.578 7.828 -0.608 157 HE21 GLN 24 HE21 GLN 24 -1.311 5.754 1.398 158 HE22 GLN 24 HE22 GLN 24 -2.772 6.674 1.322 159 H CYS 25 H CYS 25 1.104 3.219 -1.716 160 HA CYS 25 HA CYS 25 2.284 2.597 0.724 161 HB2 CYS 25 HB3 CYS 25 1.976 0.866 -1.740 162 HB3 CYS 25 HB2 CYS 25 2.424 0.259 -0.154 163 H ILE 26 H ILE 26 3.767 2.666 -2.514 164 HA ILE 26 HA ILE 26 6.279 1.619 -1.858 165 HB ILE 26 HB ILE 26 5.943 3.915 -3.778 166 HG12 ILE 26 HG13 ILE 26 4.168 2.401 -4.382 167 HG13 ILE 26 HG12 ILE 26 5.461 2.261 -5.563 168 HG21 ILE 26 HG21 ILE 26 8.204 3.222 -3.381 169 HG22 ILE 26 HG22 ILE 26 7.727 2.739 -5.009 170 HG23 ILE 26 HG23 ILE 26 7.789 1.542 -3.716 171 HD11 ILE 26 HD11 ILE 26 4.491 0.115 -4.990 172 HD12 ILE 26 HD12 ILE 26 4.948 0.362 -3.302 173 HD13 ILE 26 HD13 ILE 26 6.195 0.201 -4.539 174 H ARG 27 H ARG 27 5.242 4.980 -2.084 175 HA ARG 27 HA ARG 27 7.771 6.035 -1.324 176 HB2 ARG 27 HB3 ARG 27 5.126 7.486 -1.351 177 HB3 ARG 27 HB2 ARG 27 6.728 8.192 -1.497 178 HG2 ARG 27 HG3 ARG 27 7.026 7.085 -3.650 179 HG3 ARG 27 HG2 ARG 27 5.424 6.360 -3.488 180 HD2 ARG 27 HD3 ARG 27 5.307 8.302 -4.929 181 HD3 ARG 27 HD2 ARG 27 4.434 8.610 -3.430 182 HE ARG 27 HE ARG 27 7.138 9.521 -3.304 183 HH11 ARG 27 HH11 ARG 27 3.937 10.351 -4.451 184 HH12 ARG 27 HH12 ARG 27 4.259 12.054 -4.502 185 HH21 ARG 27 HH22 ARG 27 7.556 11.766 -3.352 186 HH22 ARG 27 HH21 ARG 27 6.314 12.858 -3.874 187 H LEU 28 H LEU 28 4.640 5.853 0.352 188 HA LEU 28 HA LEU 28 5.820 7.235 2.635 189 HB2 LEU 28 HB3 LEU 28 2.968 6.403 2.132 190 HB3 LEU 28 HB2 LEU 28 3.523 7.388 3.471 191 HG LEU 28 HG LEU 28 3.638 8.166 0.555 192 HD11 LEU 28 HD11 LEU 28 1.870 9.110 2.805 193 HD12 LEU 28 HD12 LEU 28 1.367 8.161 1.405 194 HD13 LEU 28 HD13 LEU 28 1.936 9.817 1.191 195 HD21 LEU 28 HD21 LEU 28 5.487 9.123 1.824 196 HD22 LEU 28 HD22 LEU 28 4.357 9.724 3.036 197 HD23 LEU 28 HD23 LEU 28 4.311 10.365 1.394 198 H GLU 29 H GLU 29 4.795 4.013 1.787 199 HA GLU 29 HA GLU 29 5.050 3.290 4.623 200 HB2 GLU 29 HB2 GLU 29 3.383 1.927 2.510 201 HB3 GLU 29 HB3 GLU 29 3.530 1.407 4.181 202 HG2 GLU 29 HG2 GLU 29 2.746 3.805 4.739 203 HG3 GLU 29 HG3 GLU 29 2.188 3.821 3.071 204 H LYS 30 H LYS 30 6.742 3.226 1.937 205 HA LYS 30 HA LYS 30 8.615 2.127 1.248 206 HB2 LYS 30 HB3 LYS 30 8.507 0.929 4.022 207 HB3 LYS 30 HB2 LYS 30 9.893 0.867 2.942 208 HG2 LYS 30 HG3 LYS 30 10.112 3.279 3.043 209 HG3 LYS 30 HG2 LYS 30 8.672 3.384 4.059 210 HD2 LYS 30 HD3 LYS 30 9.788 2.075 5.791 211 HD3 LYS 30 HD2 LYS 30 11.223 1.940 4.774 212 HE2 LYS 30 HE3 LYS 30 11.498 3.676 6.466 213 HE3 LYS 30 HE2 LYS 30 11.510 4.361 4.842 214 HZ1 LYS 30 HZ1 LYS 30 9.190 4.352 6.694 215 HZ2 LYS 30 HZ2 LYS 30 9.212 5.023 5.144 216 HZ3 LYS 30 HZ3 LYS 30 10.178 5.681 6.361 217 H ALA 31 H ALA 31 5.989 0.903 0.803 218 HA ALA 31 HA ALA 31 6.413 -1.953 1.024 219 HB1 ALA 31 HB1 ALA 31 4.167 -0.978 1.306 220 HB2 ALA 31 HB2 ALA 31 4.224 -2.164 0.001 221 HB3 ALA 31 HB3 ALA 31 4.211 -0.441 -0.375 222 H ARG 32 H ARG 32 6.369 -3.371 -0.820 223 HA ARG 32 HA ARG 32 7.985 -2.342 -2.998 224 HB2 ARG 32 HB3 ARG 32 7.049 -5.150 -2.402 225 HB3 ARG 32 HB2 ARG 32 8.280 -4.686 -3.560 226 HG2 ARG 32 HG3 ARG 32 8.429 -4.371 -0.576 227 HG3 ARG 32 HG2 ARG 32 9.292 -5.554 -1.550 228 HD2 ARG 32 HD3 ARG 32 9.614 -2.562 -1.671 229 HD3 ARG 32 HD2 ARG 32 10.746 -3.698 -0.945 230 HE ARG 32 HE ARG 32 10.480 -4.530 -3.542 231 HH11 ARG 32 HH11 ARG 32 11.426 -1.571 -1.942 232 HH12 ARG 32 HH12 ARG 32 12.484 -1.062 -3.218 233 HH21 ARG 32 HH22 ARG 32 11.884 -3.871 -5.231 234 HH22 ARG 32 HH21 ARG 32 12.751 -2.374 -5.088 235 H HIS 33 H HIS 33 4.773 -3.391 -2.354 236 HA HIS 33 HA HIS 33 3.902 -2.603 -4.992 237 HB2 HIS 33 HB3 HIS 33 4.535 -4.992 -5.281 238 HB3 HIS 33 HB2 HIS 33 3.425 -5.431 -3.992 239 HD1 HIS 33 HD1 HIS 33 3.338 -3.871 -7.463 240 HD2 HIS 33 HD2 HIS 33 0.904 -6.003 -4.844 241 HE1 HIS 33 HE1 HIS 33 1.225 -4.350 -8.736 242 HE2 HIS 33 HE2 HIS 33 -0.185 -5.743 -7.175 243 H GLY 34 H GLY 34 1.425 -2.714 -5.080 244 HA2 GLY 34 HA2 GLY 34 -0.031 -3.087 -2.662 245 HA3 GLY 34 HA3 GLY 34 0.228 -1.380 -2.989 246 H SER 35 H SER 35 -2.318 -2.548 -2.905 247 HA SER 35 HA SER 35 -3.430 -1.587 -5.298 248 HB2 SER 35 HB2 SER 35 -2.436 -3.769 -6.136 249 HB3 SER 35 HB3 SER 35 -3.580 -4.603 -5.085 250 HG SER 35 HG SER 35 -5.014 -4.331 -6.578 251 H CYS 36 H CYS 36 -5.791 -1.874 -5.325 252 HA CYS 36 HA CYS 36 -6.826 -1.856 -2.647 253 HB2 CYS 36 HB3 CYS 36 -7.978 -1.215 -5.353 254 HB3 CYS 36 HB2 CYS 36 -8.924 -1.208 -3.884 255 H ASN 37 H ASN 37 -6.798 -3.992 -2.000 256 HA ASN 37 HA ASN 37 -7.839 -6.128 -3.560 257 HB2 ASN 37 HB3 ASN 37 -7.279 -7.503 -1.780 258 HB3 ASN 37 HB2 ASN 37 -6.224 -6.129 -1.469 259 HD21 ASN 37 HD21 ASN 37 -8.071 -4.350 -0.393 260 HD22 ASN 37 HD22 ASN 37 -8.545 -4.963 1.142 261 H TYR 38 H TYR 38 -9.747 -7.476 -2.812 262 HA TYR 38 HA TYR 38 -11.960 -5.647 -2.272 263 HB2 TYR 38 HB2 TYR 38 -12.108 -7.127 -4.256 264 HB3 TYR 38 HB3 TYR 38 -12.076 -8.527 -3.183 265 HD1 TYR 38 HD2 TYR 38 -13.988 -5.407 -3.854 266 HD2 TYR 38 HD1 TYR 38 -14.076 -9.372 -2.326 267 HE1 TYR 38 HE2 TYR 38 -16.420 -5.238 -3.576 268 HE2 TYR 38 HE1 TYR 38 -16.510 -9.214 -2.039 269 HH TYR 38 HH TYR 38 -18.366 -6.679 -3.389 270 H VAL 39 H VAL 39 -11.721 -5.385 -0.048 271 HA VAL 39 HA VAL 39 -12.441 -7.705 1.583 272 HB VAL 39 HB VAL 39 -11.864 -4.845 2.399 273 HG11 VAL 39 HG21 VAL 39 -13.492 -5.877 3.902 274 HG12 VAL 39 HG22 VAL 39 -11.935 -5.677 4.705 275 HG13 VAL 39 HG23 VAL 39 -12.425 -7.265 4.114 276 HG21 VAL 39 HG13 VAL 39 -10.273 -7.367 2.831 277 HG22 VAL 39 HG11 VAL 39 -9.829 -5.747 3.365 278 HG23 VAL 39 HG12 VAL 39 -9.902 -6.120 1.643 279 H PHE 40 H PHE 40 -14.504 -8.208 1.498 280 HA PHE 40 HA PHE 40 -16.515 -6.859 0.272 281 HB2 PHE 40 HB2 PHE 40 -16.590 -9.235 0.972 282 HB3 PHE 40 HB3 PHE 40 -16.837 -8.716 2.631 283 HD1 PHE 40 HD2 PHE 40 -18.349 -8.813 -0.722 284 HD2 PHE 40 HD1 PHE 40 -18.975 -8.096 3.425 285 HE1 PHE 40 HE2 PHE 40 -20.781 -8.807 -1.094 286 HE2 PHE 40 HE1 PHE 40 -21.408 -8.091 3.061 287 HZ PHE 40 HZ PHE 40 -22.315 -8.446 0.798 288 HA PRO 41 HA PRO 41 -18.170 -6.219 -0.069 289 HB2 PRO 41 HB3 PRO 41 -20.043 -4.360 -0.378 290 HB3 PRO 41 HB2 PRO 41 -20.261 -5.677 0.779 291 HG2 PRO 41 HG3 PRO 41 -19.655 -2.818 1.268 292 HG3 PRO 41 HG2 PRO 41 -20.499 -3.982 2.301 293 HD2 PRO 41 HD3 PRO 41 -17.741 -3.179 2.421 294 HD3 PRO 41 HD2 PRO 41 -18.583 -4.350 3.454 295 H ALA 42 H ALA 42 -15.871 -4.182 0.534 296 HA ALA 42 HA ALA 42 -16.195 -2.591 -1.921 297 HB1 ALA 42 HB1 ALA 42 -16.786 -1.193 -0.004 298 HB2 ALA 42 HB2 ALA 42 -15.316 -0.621 -0.791 299 HB3 ALA 42 HB3 ALA 42 -15.212 -1.522 0.721 300 H HIS 43 H HIS 43 -14.021 -1.356 -2.330 301 HA HIS 43 HA HIS 43 -11.851 -3.313 -2.115 302 HB2 HIS 43 HB3 HIS 43 -12.357 -1.013 -3.987 303 HB3 HIS 43 HB2 HIS 43 -10.751 -1.708 -3.819 304 HD1 HIS 43 HD1 HIS 43 -10.300 -3.925 -4.960 305 HD2 HIS 43 HD2 HIS 43 -14.287 -2.757 -5.152 306 HE1 HIS 43 HE1 HIS 43 -11.401 -5.536 -6.543 307 HE2 HIS 43 HE2 HIS 43 -13.770 -4.704 -6.773 308 H LYS 44 H LYS 44 -10.340 -3.022 -0.666 309 HA LYS 44 HA LYS 44 -10.082 -0.368 0.575 310 HB2 LYS 44 HB3 LYS 44 -9.596 -3.137 1.673 311 HB3 LYS 44 HB2 LYS 44 -9.106 -1.668 2.509 312 HG2 LYS 44 HG3 LYS 44 -11.925 -2.093 1.624 313 HG3 LYS 44 HG2 LYS 44 -11.337 -2.727 3.157 314 HD2 LYS 44 HD3 LYS 44 -11.043 0.150 2.391 315 HD3 LYS 44 HD2 LYS 44 -12.484 -0.457 3.200 316 HE2 LYS 44 HE3 LYS 44 -9.664 -0.693 4.248 317 HE3 LYS 44 HE2 LYS 44 -10.841 0.514 4.765 318 HZ1 LYS 44 HZ1 LYS 44 -11.089 -2.429 5.078 319 HZ2 LYS 44 HZ2 LYS 44 -12.282 -1.308 5.503 320 HZ3 LYS 44 HZ3 LYS 44 -10.799 -1.309 6.313 321 H CYS 45 H CYS 45 -8.086 0.470 1.000 322 HA CYS 45 HA CYS 45 -6.159 -0.105 -1.026 323 HB2 CYS 45 HB3 CYS 45 -6.721 2.175 -0.078 324 HB3 CYS 45 HB2 CYS 45 -5.812 1.720 1.357 325 H ILE 46 H ILE 46 -4.666 -1.640 -0.917 326 HA ILE 46 HA ILE 46 -3.696 -2.488 1.728 327 HB ILE 46 HB ILE 46 -4.440 -4.225 -0.627 328 HG12 ILE 46 HG13 ILE 46 -6.358 -3.599 0.647 329 HG13 ILE 46 HG12 ILE 46 -5.973 -5.277 0.985 330 HG21 ILE 46 HG21 ILE 46 -3.814 -6.130 0.783 331 HG22 ILE 46 HG22 ILE 46 -3.130 -5.008 1.961 332 HG23 ILE 46 HG23 ILE 46 -2.433 -5.124 0.343 333 HD11 ILE 46 HD11 ILE 46 -6.590 -4.255 3.016 334 HD12 ILE 46 HD12 ILE 46 -5.488 -2.908 2.748 335 HD13 ILE 46 HD13 ILE 46 -4.848 -4.521 3.069 336 H CYS 47 H CYS 47 -1.567 -2.490 1.960 337 HA CYS 47 HA CYS 47 0.147 -2.122 -0.388 338 HB2 CYS 47 HB3 CYS 47 0.849 -1.933 2.551 339 HB3 CYS 47 HB2 CYS 47 1.855 -1.428 1.202 340 H TYR 48 H TYR 48 2.002 -3.469 -0.704 341 HA TYR 48 HA TYR 48 1.773 -6.105 0.595 342 HB2 TYR 48 HB2 TYR 48 2.787 -5.316 -2.132 343 HB3 TYR 48 HB3 TYR 48 3.068 -6.907 -1.439 344 HD1 TYR 48 HD2 TYR 48 0.027 -4.724 -1.526 345 HD2 TYR 48 HD1 TYR 48 1.798 -8.436 -2.589 346 HE1 TYR 48 HE2 TYR 48 -2.117 -5.467 -2.449 347 HE2 TYR 48 HE1 TYR 48 -0.342 -9.202 -3.508 348 HH TYR 48 HH TYR 48 -2.759 -8.693 -3.243 349 H PHE 49 H PHE 49 3.363 -6.723 1.877 350 HA PHE 49 HA PHE 49 5.977 -5.390 1.626 351 HB2 PHE 49 HB2 PHE 49 4.555 -6.351 4.117 352 HB3 PHE 49 HB3 PHE 49 6.218 -5.772 4.085 353 HD1 PHE 49 HD1 PHE 49 2.696 -4.821 3.838 354 HD2 PHE 49 HD2 PHE 49 6.716 -3.435 3.782 355 HE1 PHE 49 HE1 PHE 49 1.902 -2.518 4.113 356 HE2 PHE 49 HE2 PHE 49 5.928 -1.127 4.059 357 HZ PHE 49 HZ PHE 49 3.516 -0.661 4.225 358 HA PRO 50 HA PRO 50 7.832 -9.307 0.778 359 HB2 PRO 50 HB3 PRO 50 9.959 -8.329 2.626 360 HB3 PRO 50 HB2 PRO 50 10.099 -8.990 0.991 361 HG2 PRO 50 HG3 PRO 50 10.326 -6.388 1.371 362 HG3 PRO 50 HG2 PRO 50 9.402 -7.004 -0.008 363 HD2 PRO 50 HD3 PRO 50 8.415 -5.882 2.586 364 HD3 PRO 50 HD2 PRO 50 7.781 -5.651 0.943 365 H CYS 51 H CYS 51 7.105 -11.079 1.644 366 HA CYS 51 HA CYS 51 6.891 -11.315 4.551 367 HB2 CYS 51 HB3 CYS 51 5.045 -11.866 2.747 368 HB3 CYS 51 HB2 CYS 51 5.908 -13.396 2.639 Start of MODEL 5 1 HA PCA 1 HA PCA 1 4.046 -17.443 1.446 2 HB2 PCA 1 HB2 PCA 1 5.623 -18.124 2.905 3 HB3 PCA 1 HB3 PCA 1 6.897 -17.581 1.806 4 HG2 PCA 1 HG2 PCA 1 7.307 -19.753 1.251 5 H ARG 2 H ARG 2 3.608 -16.117 -0.550 6 HA ARG 2 HA ARG 2 5.920 -14.642 -1.546 7 HB2 ARG 2 HB3 ARG 2 4.344 -13.579 -3.078 8 HB3 ARG 2 HB2 ARG 2 4.184 -15.327 -3.146 9 HG2 ARG 2 HG3 ARG 2 2.190 -15.237 -1.788 10 HG3 ARG 2 HG2 ARG 2 2.376 -13.494 -1.584 11 HD2 ARG 2 HD3 ARG 2 0.712 -13.948 -3.275 12 HD3 ARG 2 HD2 ARG 2 2.131 -13.209 -4.013 13 HE ARG 2 HE ARG 2 2.435 -15.975 -4.186 14 HH11 ARG 2 HH11 ARG 2 0.307 -13.494 -5.422 15 HH12 ARG 2 HH12 ARG 2 -0.051 -14.348 -6.888 16 HH21 ARG 2 HH22 ARG 2 1.965 -17.109 -6.106 17 HH22 ARG 2 HH21 ARG 2 0.894 -16.411 -7.276 18 H LEU 3 H LEU 3 4.906 -12.165 -1.958 19 HA LEU 3 HA LEU 3 5.311 -10.659 0.261 20 HB2 LEU 3 HB3 LEU 3 3.309 -10.130 -1.935 21 HB3 LEU 3 HB2 LEU 3 3.873 -8.931 -0.791 22 HG LEU 3 HG LEU 3 5.757 -10.368 -2.651 23 HD11 LEU 3 HD11 LEU 3 4.332 -7.751 -3.117 24 HD12 LEU 3 HD12 LEU 3 4.056 -9.251 -4.002 25 HD13 LEU 3 HD13 LEU 3 5.611 -8.428 -4.126 26 HD21 LEU 3 HD21 LEU 3 6.776 -9.259 -0.741 27 HD22 LEU 3 HD22 LEU 3 5.929 -7.764 -1.137 28 HD23 LEU 3 HD23 LEU 3 7.159 -8.398 -2.230 29 H CYS 4 H CYS 4 4.276 -10.197 2.115 30 HA CYS 4 HA CYS 4 1.557 -11.222 2.482 31 HB2 CYS 4 HB3 CYS 4 3.775 -10.528 4.376 32 HB3 CYS 4 HB2 CYS 4 2.110 -10.490 4.948 33 H GLU 5 H GLU 5 -0.106 -9.911 2.453 34 HA GLU 5 HA GLU 5 0.291 -7.152 1.861 35 HB2 GLU 5 HB2 GLU 5 -2.362 -8.417 2.507 36 HB3 GLU 5 HB3 GLU 5 -2.036 -7.020 1.493 37 HG2 GLU 5 HG2 GLU 5 -2.427 -8.560 -0.114 38 HG3 GLU 5 HG3 GLU 5 -0.691 -8.789 0.084 39 H LYS 6 H LYS 6 -0.421 -5.371 2.950 40 HA LYS 6 HA LYS 6 -1.180 -5.658 5.777 41 HB2 LYS 6 HB3 LYS 6 1.184 -5.089 5.780 42 HB3 LYS 6 HB2 LYS 6 0.914 -3.818 4.603 43 HG2 LYS 6 HG3 LYS 6 -0.491 -2.639 6.277 44 HG3 LYS 6 HG2 LYS 6 -0.032 -3.865 7.458 45 HD2 LYS 6 HD3 LYS 6 2.281 -3.231 7.294 46 HD3 LYS 6 HD2 LYS 6 1.927 -2.132 5.963 47 HE2 LYS 6 HE3 LYS 6 0.839 -1.860 8.759 48 HE3 LYS 6 HE2 LYS 6 2.218 -0.969 8.123 49 HZ1 LYS 6 HZ1 LYS 6 0.163 0.320 8.032 50 HZ2 LYS 6 HZ2 LYS 6 -0.546 -0.844 7.031 51 HZ3 LYS 6 HZ3 LYS 6 0.785 0.053 6.478 52 HA PRO 7 HA PRO 7 -4.312 -2.724 4.431 53 HB2 PRO 7 HB3 PRO 7 -4.982 -1.846 6.960 54 HB3 PRO 7 HB2 PRO 7 -5.658 -3.288 6.198 55 HG2 PRO 7 HG3 PRO 7 -3.452 -3.057 8.199 56 HG3 PRO 7 HG2 PRO 7 -4.740 -4.270 8.083 57 HD2 PRO 7 HD3 PRO 7 -2.221 -4.776 7.275 58 HD3 PRO 7 HD2 PRO 7 -3.630 -5.475 6.452 59 H SER 8 H SER 8 -4.000 -0.674 3.783 60 HA SER 8 HA SER 8 -1.591 0.639 4.263 61 HB2 SER 8 HB2 SER 8 -2.899 1.066 2.255 62 HB3 SER 8 HB3 SER 8 -4.190 1.779 3.221 63 HG SER 8 HG SER 8 -1.521 2.751 3.011 64 H GLY 9 H GLY 9 -0.898 2.065 5.677 65 HA2 GLY 9 HA2 GLY 9 -2.786 3.024 7.734 66 HA3 GLY 9 HA3 GLY 9 -1.045 2.863 7.951 67 H THR 10 H THR 10 -2.041 4.049 4.923 68 HA THR 10 HA THR 10 -1.460 6.808 5.768 69 HB THR 10 HB THR 10 -0.383 7.077 3.473 70 HG1 THR 10 HG1 THR 10 -0.090 4.237 3.630 71 HG21 THR 10 HG21 THR 10 0.928 7.034 5.528 72 HG22 THR 10 HG22 THR 10 1.779 6.189 4.235 73 HG23 THR 10 HG23 THR 10 0.950 5.270 5.492 74 H TRP 11 H TRP 11 -3.253 4.626 3.753 75 HA TRP 11 HA TRP 11 -4.686 6.758 2.406 76 HB2 TRP 11 HB3 TRP 11 -4.076 4.420 1.468 77 HB3 TRP 11 HB2 TRP 11 -5.447 3.851 2.400 78 HD1 TRP 11 HD1 TRP 11 -7.904 4.638 1.537 79 HE1 TRP 11 HE1 TRP 11 -8.714 5.478 -0.744 80 HE3 TRP 11 HE3 TRP 11 -3.376 5.717 -0.578 81 HZ2 TRP 11 HZ2 TRP 11 -7.585 6.446 -3.138 82 HZ3 TRP 11 HZ3 TRP 11 -3.330 6.587 -2.876 83 HH2 TRP 11 HH2 TRP 11 -5.392 6.944 -4.131 84 H SER 12 H SER 12 -7.143 6.517 2.436 85 HA SER 12 HA SER 12 -8.227 5.686 4.997 86 HB2 SER 12 HB2 SER 12 -7.465 8.014 5.389 87 HB3 SER 12 HB3 SER 12 -8.474 8.552 4.050 88 HG SER 12 HG SER 12 -9.198 7.698 6.611 89 H GLY 13 H GLY 13 -10.071 4.666 4.614 90 HA2 GLY 13 HA2 GLY 13 -12.186 4.268 3.794 91 HA3 GLY 13 HA3 GLY 13 -12.092 5.796 2.934 92 H VAL 14 H VAL 14 -13.226 4.561 1.269 93 HA VAL 14 HA VAL 14 -11.954 2.485 -0.165 94 HB VAL 14 HB VAL 14 -14.066 4.429 -1.127 95 HG11 VAL 14 HG21 VAL 14 -13.019 3.182 -2.924 96 HG12 VAL 14 HG22 VAL 14 -14.678 2.641 -2.673 97 HG13 VAL 14 HG23 VAL 14 -13.334 1.670 -2.076 98 HG21 VAL 14 HG13 VAL 14 -14.387 1.766 0.252 99 HG22 VAL 14 HG11 VAL 14 -15.693 2.722 -0.445 100 HG23 VAL 14 HG12 VAL 14 -14.780 3.345 0.929 101 H CYS 15 H CYS 15 -10.762 2.582 -2.074 102 HA CYS 15 HA CYS 15 -9.374 5.114 -2.492 103 HB2 CYS 15 HB3 CYS 15 -7.637 3.880 -3.402 104 HB3 CYS 15 HB2 CYS 15 -8.312 2.723 -2.265 105 H GLY 16 H GLY 16 -8.851 5.699 -4.784 106 HA2 GLY 16 HA2 GLY 16 -11.167 5.166 -6.541 107 HA3 GLY 16 HA3 GLY 16 -10.264 6.676 -6.527 108 H ASN 17 H ASN 17 -7.885 4.644 -6.134 109 HA ASN 17 HA ASN 17 -7.565 3.726 -8.877 110 HB2 ASN 17 HB3 ASN 17 -5.882 5.875 -7.601 111 HB3 ASN 17 HB2 ASN 17 -5.262 4.875 -8.906 112 HD21 ASN 17 HD21 ASN 17 -7.402 7.423 -8.008 113 HD22 ASN 17 HD22 ASN 17 -7.788 7.933 -9.613 114 H ASN 18 H ASN 18 -6.450 1.863 -8.916 115 HA ASN 18 HA ASN 18 -5.451 0.688 -6.527 116 HB2 ASN 18 HB3 ASN 18 -5.341 -0.102 -9.422 117 HB3 ASN 18 HB2 ASN 18 -4.402 -0.981 -8.225 118 HD21 ASN 18 HD21 ASN 18 -5.468 -2.871 -8.316 119 HD22 ASN 18 HD22 ASN 18 -7.125 -3.073 -7.851 120 H GLY 19 H GLY 19 -3.944 2.236 -9.310 121 HA2 GLY 19 HA2 GLY 19 -1.284 1.642 -8.500 122 HA3 GLY 19 HA3 GLY 19 -1.756 2.793 -9.720 123 H ALA 20 H ALA 20 -3.383 4.434 -8.085 124 HA ALA 20 HA ALA 20 -1.464 6.128 -6.892 125 HB1 ALA 20 HB1 ALA 20 -3.308 7.443 -6.115 126 HB2 ALA 20 HB2 ALA 20 -4.422 6.090 -6.291 127 HB3 ALA 20 HB3 ALA 20 -3.720 6.845 -7.723 128 H CYS 21 H CYS 21 -3.678 3.715 -5.595 129 HA CYS 21 HA CYS 21 -2.960 3.940 -2.880 130 HB2 CYS 21 HB3 CYS 21 -4.929 2.716 -3.370 131 HB3 CYS 21 HB2 CYS 21 -4.103 1.701 -4.545 132 H ARG 22 H ARG 22 -1.725 1.913 -5.532 133 HA ARG 22 HA ARG 22 0.105 0.418 -3.996 134 HB2 ARG 22 HB3 ARG 22 -0.575 -0.228 -6.250 135 HB3 ARG 22 HB2 ARG 22 0.174 1.216 -6.912 136 HG2 ARG 22 HG3 ARG 22 2.368 0.363 -6.098 137 HG3 ARG 22 HG2 ARG 22 1.555 -1.142 -5.657 138 HD2 ARG 22 HD3 ARG 22 2.606 -1.311 -7.858 139 HD3 ARG 22 HD2 ARG 22 0.854 -1.449 -7.971 140 HE ARG 22 HE ARG 22 2.091 1.165 -8.418 141 HH11 ARG 22 HH11 ARG 22 0.453 -1.630 -9.752 142 HH12 ARG 22 HH12 ARG 22 0.036 -0.826 -11.231 143 HH21 ARG 22 HH22 ARG 22 1.526 2.218 -10.346 144 HH22 ARG 22 HH21 ARG 22 0.645 1.361 -11.570 145 H ASN 23 H ASN 23 0.543 3.271 -6.007 146 HA ASN 23 HA ASN 23 3.233 3.767 -5.659 147 HB2 ASN 23 HB3 ASN 23 1.805 4.935 -7.268 148 HB3 ASN 23 HB2 ASN 23 0.942 5.722 -5.961 149 HD21 ASN 23 HD21 ASN 23 1.388 7.750 -6.602 150 HD22 ASN 23 HD22 ASN 23 2.961 8.448 -6.532 151 H GLN 24 H GLN 24 0.515 4.921 -3.722 152 HA GLN 24 HA GLN 24 1.957 6.549 -1.959 153 HB2 GLN 24 HB2 GLN 24 -0.561 6.381 -2.218 154 HB3 GLN 24 HB3 GLN 24 -0.484 4.960 -1.194 155 HG2 GLN 24 HG3 GLN 24 0.455 6.262 0.609 156 HG3 GLN 24 HG2 GLN 24 0.482 7.698 -0.416 157 HE21 GLN 24 HE21 GLN 24 -1.487 5.508 1.402 158 HE22 GLN 24 HE22 GLN 24 -2.919 6.478 1.396 159 H CYS 25 H CYS 25 0.938 3.170 -1.609 160 HA CYS 25 HA CYS 25 2.231 2.545 0.779 161 HB2 CYS 25 HB3 CYS 25 1.832 0.802 -1.667 162 HB3 CYS 25 HB2 CYS 25 2.333 0.207 -0.090 163 H ILE 26 H ILE 26 3.539 2.556 -2.538 164 HA ILE 26 HA ILE 26 6.071 1.502 -2.049 165 HB ILE 26 HB ILE 26 5.593 3.811 -3.932 166 HG12 ILE 26 HG13 ILE 26 3.847 2.255 -4.453 167 HG13 ILE 26 HG12 ILE 26 5.097 2.101 -5.682 168 HG21 ILE 26 HG21 ILE 26 7.519 1.499 -3.993 169 HG22 ILE 26 HG22 ILE 26 7.901 3.189 -3.654 170 HG23 ILE 26 HG23 ILE 26 7.349 2.714 -5.262 171 HD11 ILE 26 HD11 ILE 26 5.917 0.093 -4.590 172 HD12 ILE 26 HD12 ILE 26 4.211 -0.047 -5.025 173 HD13 ILE 26 HD13 ILE 26 4.674 0.265 -3.351 174 H ARG 27 H ARG 27 5.032 4.871 -2.093 175 HA ARG 27 HA ARG 27 7.626 5.864 -1.424 176 HB2 ARG 27 HB3 ARG 27 5.061 7.419 -1.266 177 HB3 ARG 27 HB2 ARG 27 6.685 8.030 -1.548 178 HG2 ARG 27 HG3 ARG 27 5.020 6.384 -3.426 179 HG3 ARG 27 HG2 ARG 27 5.454 8.080 -3.583 180 HD2 ARG 27 HD3 ARG 27 7.750 7.541 -3.940 181 HD3 ARG 27 HD2 ARG 27 7.465 5.846 -3.535 182 HE ARG 27 HE ARG 27 5.799 6.559 -5.677 183 HH11 ARG 27 HH11 ARG 27 9.205 6.119 -5.002 184 HH12 ARG 27 HH12 ARG 27 9.581 5.583 -6.609 185 HH21 ARG 27 HH22 ARG 27 6.287 5.876 -7.785 186 HH22 ARG 27 HH21 ARG 27 7.913 5.428 -8.194 187 H LEU 28 H LEU 28 4.511 6.069 0.296 188 HA LEU 28 HA LEU 28 5.769 7.282 2.558 189 HB2 LEU 28 HB3 LEU 28 2.957 6.239 2.248 190 HB3 LEU 28 HB2 LEU 28 3.528 7.279 3.538 191 HG LEU 28 HG LEU 28 3.332 8.014 0.616 192 HD11 LEU 28 HD11 LEU 28 1.770 8.941 3.019 193 HD12 LEU 28 HD12 LEU 28 1.170 7.912 1.718 194 HD13 LEU 28 HD13 LEU 28 1.621 9.584 1.386 195 HD21 LEU 28 HD21 LEU 28 3.960 10.270 1.358 196 HD22 LEU 28 HD22 LEU 28 5.249 9.099 1.629 197 HD23 LEU 28 HD23 LEU 28 4.254 9.642 2.980 198 H GLU 29 H GLU 29 4.241 4.114 1.995 199 HA GLU 29 HA GLU 29 4.979 3.348 4.700 200 HB2 GLU 29 HB2 GLU 29 3.237 2.008 2.640 201 HB3 GLU 29 HB3 GLU 29 3.624 1.289 4.194 202 HG2 GLU 29 HG2 GLU 29 2.723 3.392 5.256 203 HG3 GLU 29 HG3 GLU 29 2.106 3.811 3.661 204 H LYS 30 H LYS 30 6.417 3.338 1.829 205 HA LYS 30 HA LYS 30 8.311 2.403 1.005 206 HB2 LYS 30 HB3 LYS 30 8.576 1.514 3.880 207 HB3 LYS 30 HB2 LYS 30 9.855 1.360 2.682 208 HG2 LYS 30 HG3 LYS 30 10.100 3.690 2.484 209 HG3 LYS 30 HG2 LYS 30 8.573 4.000 3.309 210 HD2 LYS 30 HD3 LYS 30 10.935 2.690 4.638 211 HD3 LYS 30 HD2 LYS 30 10.657 4.431 4.660 212 HE2 LYS 30 HE3 LYS 30 8.737 2.347 5.694 213 HE3 LYS 30 HE2 LYS 30 9.827 3.305 6.692 214 HZ1 LYS 30 HZ1 LYS 30 7.603 4.235 6.673 215 HZ2 LYS 30 HZ2 LYS 30 7.644 4.387 4.990 216 HZ3 LYS 30 HZ3 LYS 30 8.694 5.304 5.945 217 H ALA 31 H ALA 31 5.942 1.017 0.625 218 HA ALA 31 HA ALA 31 6.484 -1.813 1.016 219 HB1 ALA 31 HB1 ALA 31 4.274 -2.173 0.165 220 HB2 ALA 31 HB2 ALA 31 4.185 -0.521 -0.442 221 HB3 ALA 31 HB3 ALA 31 4.200 -0.819 1.297 222 H ARG 32 H ARG 32 6.676 -3.299 -0.704 223 HA ARG 32 HA ARG 32 8.111 -2.244 -2.973 224 HB2 ARG 32 HB3 ARG 32 7.387 -5.084 -2.256 225 HB3 ARG 32 HB2 ARG 32 8.536 -4.591 -3.485 226 HG2 ARG 32 HG3 ARG 32 8.783 -4.140 -0.525 227 HG3 ARG 32 HG2 ARG 32 9.691 -5.298 -1.492 228 HD2 ARG 32 HD3 ARG 32 10.663 -3.430 -2.772 229 HD3 ARG 32 HD2 ARG 32 9.785 -2.297 -1.745 230 HE ARG 32 HE ARG 32 11.604 -4.183 -0.462 231 HH11 ARG 32 HH11 ARG 32 10.922 -0.899 -1.474 232 HH12 ARG 32 HH12 ARG 32 12.155 -0.203 -0.472 233 HH21 ARG 32 HH22 ARG 32 13.239 -3.266 0.841 234 HH22 ARG 32 HH21 ARG 32 13.492 -1.548 0.815 235 H HIS 33 H HIS 33 4.978 -3.464 -2.257 236 HA HIS 33 HA HIS 33 4.051 -2.739 -4.896 237 HB2 HIS 33 HB3 HIS 33 4.713 -5.083 -5.227 238 HB3 HIS 33 HB2 HIS 33 3.746 -5.570 -3.842 239 HD1 HIS 33 HD1 HIS 33 3.194 -3.917 -7.235 240 HD2 HIS 33 HD2 HIS 33 1.271 -6.430 -4.534 241 HE1 HIS 33 HE1 HIS 33 1.026 -4.558 -8.327 242 HE2 HIS 33 HE2 HIS 33 -0.039 -6.213 -6.756 243 H GLY 34 H GLY 34 1.612 -2.863 -4.972 244 HA2 GLY 34 HA2 GLY 34 0.181 -3.291 -2.528 245 HA3 GLY 34 HA3 GLY 34 0.311 -1.589 -2.945 246 H SER 35 H SER 35 -2.145 -2.891 -2.806 247 HA SER 35 HA SER 35 -3.122 -2.340 -5.453 248 HB2 SER 35 HB2 SER 35 -4.183 -4.534 -5.806 249 HB3 SER 35 HB3 SER 35 -2.429 -4.691 -5.723 250 HG SER 35 HG SER 35 -3.557 -4.922 -3.268 251 H CYS 36 H CYS 36 -5.305 -1.860 -5.447 252 HA CYS 36 HA CYS 36 -6.494 -1.467 -2.844 253 HB2 CYS 36 HB3 CYS 36 -6.624 0.129 -4.870 254 HB3 CYS 36 HB2 CYS 36 -7.849 -0.975 -5.486 255 H ASN 37 H ASN 37 -6.581 -3.689 -2.299 256 HA ASN 37 HA ASN 37 -7.845 -5.643 -3.908 257 HB2 ASN 37 HB3 ASN 37 -6.712 -6.943 -2.506 258 HB3 ASN 37 HB2 ASN 37 -6.325 -5.554 -1.498 259 HD21 ASN 37 HD21 ASN 37 -7.728 -5.041 0.210 260 HD22 ASN 37 HD22 ASN 37 -8.586 -6.300 0.990 261 H TYR 38 H TYR 38 -9.755 -6.806 -3.474 262 HA TYR 38 HA TYR 38 -11.862 -5.024 -2.548 263 HB2 TYR 38 HB2 TYR 38 -12.135 -6.117 -4.744 264 HB3 TYR 38 HB3 TYR 38 -12.100 -7.691 -3.953 265 HD1 TYR 38 HD2 TYR 38 -13.904 -4.445 -3.534 266 HD2 TYR 38 HD1 TYR 38 -14.159 -8.685 -3.627 267 HE1 TYR 38 HE2 TYR 38 -16.328 -4.299 -3.161 268 HE2 TYR 38 HE1 TYR 38 -16.584 -8.555 -3.244 269 HH TYR 38 HH TYR 38 -18.250 -7.110 -2.469 270 H VAL 39 H VAL 39 -11.078 -5.327 -0.317 271 HA VAL 39 HA VAL 39 -11.961 -7.762 0.946 272 HB VAL 39 HB VAL 39 -10.181 -6.626 2.073 273 HG11 VAL 39 HG21 VAL 39 -10.395 -4.357 2.981 274 HG12 VAL 39 HG22 VAL 39 -11.963 -4.201 2.189 275 HG13 VAL 39 HG23 VAL 39 -10.500 -4.385 1.220 276 HG21 VAL 39 HG13 VAL 39 -12.736 -6.218 3.622 277 HG22 VAL 39 HG11 VAL 39 -11.113 -6.286 4.310 278 HG23 VAL 39 HG12 VAL 39 -11.801 -7.711 3.529 279 H PHE 40 H PHE 40 -14.015 -8.183 0.740 280 HA PHE 40 HA PHE 40 -16.067 -6.587 0.004 281 HB2 PHE 40 HB2 PHE 40 -16.091 -9.082 0.197 282 HB3 PHE 40 HB3 PHE 40 -16.340 -8.900 1.926 283 HD1 PHE 40 HD1 PHE 40 -17.831 -8.369 -1.382 284 HD2 PHE 40 HD2 PHE 40 -18.487 -8.402 2.818 285 HE1 PHE 40 HE1 PHE 40 -20.256 -8.276 -1.766 286 HE2 PHE 40 HE2 PHE 40 -20.917 -8.312 2.442 287 HZ PHE 40 HZ PHE 40 -21.804 -8.247 0.149 288 HA PRO 41 HA PRO 41 -17.810 -5.910 -0.040 289 HB2 PRO 41 HB3 PRO 41 -19.655 -4.038 0.229 290 HB3 PRO 41 HB2 PRO 41 -19.761 -5.529 1.173 291 HG2 PRO 41 HG3 PRO 41 -18.962 -2.799 2.038 292 HG3 PRO 41 HG2 PRO 41 -19.781 -4.072 2.954 293 HD2 PRO 41 HD3 PRO 41 -16.990 -3.440 2.941 294 HD3 PRO 41 HD2 PRO 41 -17.799 -4.765 3.803 295 H ALA 42 H ALA 42 -15.352 -4.088 0.590 296 HA ALA 42 HA ALA 42 -15.883 -2.150 -1.554 297 HB1 ALA 42 HB1 ALA 42 -14.695 -1.381 1.106 298 HB2 ALA 42 HB2 ALA 42 -16.334 -1.012 0.572 299 HB3 ALA 42 HB3 ALA 42 -14.952 -0.314 -0.274 300 H HIS 43 H HIS 43 -13.946 -1.122 -2.414 301 HA HIS 43 HA HIS 43 -11.607 -2.856 -2.319 302 HB2 HIS 43 HB3 HIS 43 -12.418 -0.539 -4.058 303 HB3 HIS 43 HB2 HIS 43 -10.745 -1.081 -4.017 304 HD1 HIS 43 HD1 HIS 43 -10.158 -3.194 -5.281 305 HD2 HIS 43 HD2 HIS 43 -14.241 -2.402 -5.221 306 HE1 HIS 43 HE1 HIS 43 -11.184 -4.794 -6.926 307 HE2 HIS 43 HE2 HIS 43 -13.665 -4.420 -6.739 308 H LYS 44 H LYS 44 -10.043 -2.510 -0.916 309 HA LYS 44 HA LYS 44 -9.720 0.210 0.166 310 HB2 LYS 44 HB3 LYS 44 -9.502 -2.447 1.580 311 HB3 LYS 44 HB2 LYS 44 -8.909 -0.939 2.267 312 HG2 LYS 44 HG3 LYS 44 -11.739 -1.299 1.367 313 HG3 LYS 44 HG2 LYS 44 -11.207 -1.694 3.001 314 HD2 LYS 44 HD3 LYS 44 -10.548 0.585 3.384 315 HD3 LYS 44 HD2 LYS 44 -10.853 1.004 1.698 316 HE2 LYS 44 HE3 LYS 44 -12.657 1.763 3.175 317 HE3 LYS 44 HE2 LYS 44 -13.221 0.585 1.992 318 HZ1 LYS 44 HZ1 LYS 44 -14.109 0.185 4.221 319 HZ2 LYS 44 HZ2 LYS 44 -12.541 -0.038 4.816 320 HZ3 LYS 44 HZ3 LYS 44 -13.173 -1.114 3.679 321 H CYS 45 H CYS 45 -7.610 0.757 0.876 322 HA CYS 45 HA CYS 45 -5.689 -0.034 -1.106 323 HB2 CYS 45 HB3 CYS 45 -6.023 2.322 -0.207 324 HB3 CYS 45 HB2 CYS 45 -5.201 1.783 1.253 325 H ILE 46 H ILE 46 -4.582 -1.843 -0.901 326 HA ILE 46 HA ILE 46 -3.646 -2.620 1.778 327 HB ILE 46 HB ILE 46 -4.484 -4.420 -0.508 328 HG12 ILE 46 HG13 ILE 46 -6.374 -3.556 0.739 329 HG13 ILE 46 HG12 ILE 46 -6.137 -5.261 1.104 330 HG21 ILE 46 HG21 ILE 46 -3.277 -5.138 2.153 331 HG22 ILE 46 HG22 ILE 46 -2.538 -5.362 0.565 332 HG23 ILE 46 HG23 ILE 46 -3.977 -6.284 1.009 333 HD11 ILE 46 HD11 ILE 46 -5.001 -4.610 3.193 334 HD12 ILE 46 HD12 ILE 46 -6.688 -4.104 3.106 335 HD13 ILE 46 HD13 ILE 46 -5.404 -2.928 2.838 336 H CYS 47 H CYS 47 -1.547 -2.426 1.986 337 HA CYS 47 HA CYS 47 0.181 -2.226 -0.344 338 HB2 CYS 47 HB3 CYS 47 0.939 -2.049 2.577 339 HB3 CYS 47 HB2 CYS 47 1.866 -1.468 1.201 340 H TYR 48 H TYR 48 2.074 -3.549 -0.616 341 HA TYR 48 HA TYR 48 1.869 -6.175 0.710 342 HB2 TYR 48 HB2 TYR 48 2.762 -5.440 -2.070 343 HB3 TYR 48 HB3 TYR 48 3.111 -7.006 -1.353 344 HD1 TYR 48 HD1 TYR 48 0.060 -4.859 -1.384 345 HD2 TYR 48 HD2 TYR 48 1.795 -8.613 -2.341 346 HE1 TYR 48 HE1 TYR 48 -2.111 -5.639 -2.171 347 HE2 TYR 48 HE2 TYR 48 -0.384 -9.427 -3.118 348 HH TYR 48 HH TYR 48 -3.030 -7.323 -3.665 349 H PHE 49 H PHE 49 3.537 -6.889 1.824 350 HA PHE 49 HA PHE 49 6.141 -5.560 1.485 351 HB2 PHE 49 HB2 PHE 49 4.780 -6.380 4.059 352 HB3 PHE 49 HB3 PHE 49 6.452 -5.841 3.950 353 HD1 PHE 49 HD2 PHE 49 6.975 -3.527 3.406 354 HD2 PHE 49 HD1 PHE 49 2.954 -4.824 3.904 355 HE1 PHE 49 HE2 PHE 49 6.246 -1.189 3.602 356 HE2 PHE 49 HE1 PHE 49 2.221 -2.494 4.093 357 HZ PHE 49 HZ PHE 49 3.866 -0.669 3.947 358 HA PRO 50 HA PRO 50 7.873 -9.573 0.775 359 HB2 PRO 50 HB3 PRO 50 10.072 -8.570 2.522 360 HB3 PRO 50 HB2 PRO 50 10.153 -9.316 0.921 361 HG2 PRO 50 HG3 PRO 50 10.468 -6.699 1.184 362 HG3 PRO 50 HG2 PRO 50 9.529 -7.356 -0.167 363 HD2 PRO 50 HD3 PRO 50 8.577 -6.046 2.346 364 HD3 PRO 50 HD2 PRO 50 7.929 -5.934 0.697 365 H CYS 51 H CYS 51 7.132 -11.285 1.766 366 HA CYS 51 HA CYS 51 6.910 -11.295 4.682 367 HB2 CYS 51 HB3 CYS 51 5.050 -11.926 2.942 368 HB3 CYS 51 HB2 CYS 51 5.875 -13.480 2.917 Start of MODEL 6 1 HA PCA 1 HA PCA 1 4.773 -18.650 -0.586 2 HB2 PCA 1 HB2 PCA 1 3.254 -19.760 -1.831 3 HB3 PCA 1 HB3 PCA 1 2.388 -18.267 -2.213 4 HG2 PCA 1 HG2 PCA 1 0.816 -18.833 -0.658 5 H ARG 2 H ARG 2 2.270 -16.278 -1.582 6 HA ARG 2 HA ARG 2 4.249 -14.830 -3.127 7 HB2 ARG 2 HB3 ARG 2 2.449 -13.520 -3.960 8 HB3 ARG 2 HB2 ARG 2 1.830 -15.160 -3.845 9 HG2 ARG 2 HG3 ARG 2 0.609 -14.631 -1.859 10 HG3 ARG 2 HG2 ARG 2 1.372 -13.046 -1.754 11 HD2 ARG 2 HD3 ARG 2 0.321 -12.468 -3.936 12 HD3 ARG 2 HD2 ARG 2 -0.544 -14.003 -3.875 13 HE ARG 2 HE ARG 2 -0.931 -12.415 -1.522 14 HH11 ARG 2 HH11 ARG 2 -2.023 -12.937 -4.804 15 HH12 ARG 2 HH12 ARG 2 -3.586 -12.236 -4.532 16 HH21 ARG 2 HH22 ARG 2 -3.001 -11.473 -1.157 17 HH22 ARG 2 HH21 ARG 2 -4.143 -11.425 -2.466 18 H LEU 3 H LEU 3 3.682 -12.225 -2.849 19 HA LEU 3 HA LEU 3 4.881 -11.305 -0.524 20 HB2 LEU 3 HB3 LEU 3 2.864 -9.969 -2.317 21 HB3 LEU 3 HB2 LEU 3 3.706 -9.144 -1.020 22 HG LEU 3 HG LEU 3 5.235 -10.509 -3.215 23 HD11 LEU 3 HD11 LEU 3 5.294 -8.389 -4.415 24 HD12 LEU 3 HD12 LEU 3 4.180 -7.685 -3.244 25 HD13 LEU 3 HD13 LEU 3 3.643 -8.997 -4.292 26 HD21 LEU 3 HD21 LEU 3 6.465 -9.811 -1.226 27 HD22 LEU 3 HD22 LEU 3 5.834 -8.173 -1.401 28 HD23 LEU 3 HD23 LEU 3 6.919 -8.835 -2.622 29 H CYS 4 H CYS 4 3.898 -10.030 1.245 30 HA CYS 4 HA CYS 4 1.346 -11.234 2.057 31 HB2 CYS 4 HB3 CYS 4 3.747 -10.511 3.745 32 HB3 CYS 4 HB2 CYS 4 2.204 -11.080 4.389 33 H GLU 5 H GLU 5 -0.249 -9.880 2.225 34 HA GLU 5 HA GLU 5 0.205 -7.105 1.762 35 HB2 GLU 5 HB2 GLU 5 -2.444 -8.344 2.464 36 HB3 GLU 5 HB3 GLU 5 -2.126 -6.908 1.501 37 HG2 GLU 5 HG2 GLU 5 -2.592 -8.335 -0.176 38 HG3 GLU 5 HG3 GLU 5 -0.869 -8.664 -0.025 39 H LYS 6 H LYS 6 -0.388 -5.367 2.992 40 HA LYS 6 HA LYS 6 -1.059 -5.784 5.816 41 HB2 LYS 6 HB3 LYS 6 1.483 -5.467 5.331 42 HB3 LYS 6 HB2 LYS 6 1.051 -3.807 4.979 43 HG2 LYS 6 HG3 LYS 6 0.287 -5.058 7.582 44 HG3 LYS 6 HG2 LYS 6 1.901 -4.408 7.326 45 HD2 LYS 6 HD3 LYS 6 0.861 -2.238 6.694 46 HD3 LYS 6 HD2 LYS 6 -0.709 -2.916 7.127 47 HE2 LYS 6 HE3 LYS 6 1.643 -2.687 8.996 48 HE3 LYS 6 HE2 LYS 6 0.308 -1.541 8.925 49 HZ1 LYS 6 HZ1 LYS 6 -0.007 -4.430 9.525 50 HZ2 LYS 6 HZ2 LYS 6 -1.203 -3.236 9.616 51 HZ3 LYS 6 HZ3 LYS 6 0.092 -3.219 10.700 52 HA PRO 7 HA PRO 7 -4.097 -2.742 4.566 53 HB2 PRO 7 HB3 PRO 7 -4.589 -1.833 7.160 54 HB3 PRO 7 HB2 PRO 7 -5.433 -3.151 6.347 55 HG2 PRO 7 HG3 PRO 7 -3.194 -3.257 8.311 56 HG3 PRO 7 HG2 PRO 7 -4.569 -4.358 8.111 57 HD2 PRO 7 HD3 PRO 7 -2.113 -5.016 7.269 58 HD3 PRO 7 HD2 PRO 7 -3.562 -5.499 6.362 59 H SER 8 H SER 8 -3.688 -0.801 3.761 60 HA SER 8 HA SER 8 -1.367 0.652 4.295 61 HB2 SER 8 HB2 SER 8 -2.532 0.889 2.181 62 HB3 SER 8 HB3 SER 8 -3.953 1.539 2.998 63 HG SER 8 HG SER 8 -1.370 2.735 2.936 64 H GLY 9 H GLY 9 -0.888 2.359 5.542 65 HA2 GLY 9 HA2 GLY 9 -2.960 3.224 7.465 66 HA3 GLY 9 HA3 GLY 9 -1.236 3.184 7.811 67 H THR 10 H THR 10 -1.974 4.180 4.676 68 HA THR 10 HA THR 10 -1.635 7.002 5.455 69 HB THR 10 HB THR 10 -0.487 7.284 3.231 70 HG1 THR 10 HG1 THR 10 -0.175 4.447 3.297 71 HG21 THR 10 HG21 THR 10 0.792 7.160 5.310 72 HG22 THR 10 HG22 THR 10 1.660 6.375 3.990 73 HG23 THR 10 HG23 THR 10 0.821 5.400 5.196 74 H TRP 11 H TRP 11 -3.871 5.002 4.601 75 HA TRP 11 HA TRP 11 -5.122 6.761 2.602 76 HB2 TRP 11 HB3 TRP 11 -4.294 4.370 1.928 77 HB3 TRP 11 HB2 TRP 11 -5.728 3.827 2.773 78 HD1 TRP 11 HD1 TRP 11 -8.122 4.548 1.648 79 HE1 TRP 11 HE1 TRP 11 -8.715 5.127 -0.783 80 HE3 TRP 11 HE3 TRP 11 -3.410 5.391 -0.159 81 HZ2 TRP 11 HZ2 TRP 11 -7.371 5.819 -3.154 82 HZ3 TRP 11 HZ3 TRP 11 -3.153 5.997 -2.524 83 HH2 TRP 11 HH2 TRP 11 -5.095 6.207 -3.996 84 H SER 12 H SER 12 -7.562 6.316 2.583 85 HA SER 12 HA SER 12 -8.828 5.355 4.936 86 HB2 SER 12 HB2 SER 12 -7.832 7.580 5.701 87 HB3 SER 12 HB3 SER 12 -8.958 8.357 4.591 88 HG SER 12 HG SER 12 -9.715 6.575 6.669 89 H GLY 13 H GLY 13 -11.190 5.604 4.798 90 HA2 GLY 13 HA2 GLY 13 -13.186 5.726 3.655 91 HA3 GLY 13 HA3 GLY 13 -12.387 6.749 2.469 92 H VAL 14 H VAL 14 -13.786 5.472 0.981 93 HA VAL 14 HA VAL 14 -12.969 2.761 0.458 94 HB VAL 14 HB VAL 14 -14.820 4.600 -1.068 95 HG11 VAL 14 HG21 VAL 14 -13.882 2.876 -2.492 96 HG12 VAL 14 HG22 VAL 14 -15.594 2.580 -2.187 97 HG13 VAL 14 HG23 VAL 14 -14.369 1.641 -1.333 98 HG21 VAL 14 HG13 VAL 14 -15.648 4.096 1.164 99 HG22 VAL 14 HG11 VAL 14 -15.410 2.372 0.877 100 HG23 VAL 14 HG12 VAL 14 -16.613 3.263 -0.054 101 H CYS 15 H CYS 15 -11.466 2.148 -0.962 102 HA CYS 15 HA CYS 15 -9.839 4.182 -2.205 103 HB2 CYS 15 HB3 CYS 15 -8.530 2.527 -1.269 104 HB3 CYS 15 HB2 CYS 15 -9.612 1.233 -1.762 105 H GLY 16 H GLY 16 -9.741 4.705 -4.287 106 HA2 GLY 16 HA2 GLY 16 -11.629 3.355 -6.105 107 HA3 GLY 16 HA3 GLY 16 -11.126 5.039 -6.228 108 H ASN 17 H ASN 17 -8.300 4.205 -5.670 109 HA ASN 17 HA ASN 17 -7.736 3.412 -8.444 110 HB2 ASN 17 HB3 ASN 17 -6.600 5.743 -6.898 111 HB3 ASN 17 HB2 ASN 17 -5.982 5.204 -8.456 112 HD21 ASN 17 HD21 ASN 17 -8.613 6.663 -6.760 113 HD22 ASN 17 HD22 ASN 17 -9.421 7.298 -8.140 114 H ASN 18 H ASN 18 -6.516 1.676 -8.474 115 HA ASN 18 HA ASN 18 -5.161 0.744 -6.144 116 HB2 ASN 18 HB3 ASN 18 -4.499 -1.166 -7.495 117 HB3 ASN 18 HB2 ASN 18 -6.207 -0.819 -7.715 118 HD21 ASN 18 HD21 ASN 18 -4.248 -2.248 -9.390 119 HD22 ASN 18 HD22 ASN 18 -4.317 -1.480 -10.937 120 H GLY 19 H GLY 19 -4.141 2.362 -9.070 121 HA2 GLY 19 HA2 GLY 19 -1.375 1.836 -8.764 122 HA3 GLY 19 HA3 GLY 19 -2.070 3.097 -9.742 123 H ALA 20 H ALA 20 -3.244 4.766 -8.103 124 HA ALA 20 HA ALA 20 -1.246 6.208 -6.787 125 HB1 ALA 20 HB1 ALA 20 -3.076 7.470 -5.745 126 HB2 ALA 20 HB2 ALA 20 -4.225 6.230 -6.251 127 HB3 ALA 20 HB3 ALA 20 -3.383 7.198 -7.460 128 H CYS 21 H CYS 21 -3.517 3.780 -5.611 129 HA CYS 21 HA CYS 21 -2.822 3.818 -2.896 130 HB2 CYS 21 HB3 CYS 21 -4.770 2.604 -3.576 131 HB3 CYS 21 HB2 CYS 21 -3.835 1.600 -4.678 132 H ARG 22 H ARG 22 -1.492 1.948 -5.633 133 HA ARG 22 HA ARG 22 0.320 0.432 -4.077 134 HB2 ARG 22 HB3 ARG 22 -0.296 -0.133 -6.415 135 HB3 ARG 22 HB2 ARG 22 0.581 1.286 -6.972 136 HG2 ARG 22 HG3 ARG 22 2.650 0.330 -6.004 137 HG3 ARG 22 HG2 ARG 22 1.743 -1.127 -5.601 138 HD2 ARG 22 HD3 ARG 22 2.924 -1.491 -7.659 139 HD3 ARG 22 HD2 ARG 22 1.201 -1.397 -8.004 140 HE ARG 22 HE ARG 22 1.544 0.763 -8.949 141 HH11 ARG 22 HH11 ARG 22 4.498 -0.916 -8.105 142 HH12 ARG 22 HH12 ARG 22 5.495 0.054 -9.138 143 HH21 ARG 22 HH22 ARG 22 2.857 2.046 -10.306 144 HH22 ARG 22 HH21 ARG 22 4.560 1.739 -10.391 145 H ASN 23 H ASN 23 0.658 3.393 -5.922 146 HA ASN 23 HA ASN 23 3.369 3.878 -5.499 147 HB2 ASN 23 HB3 ASN 23 1.960 4.996 -7.185 148 HB3 ASN 23 HB2 ASN 23 1.111 5.850 -5.910 149 HD21 ASN 23 HD21 ASN 23 1.642 7.830 -6.695 150 HD22 ASN 23 HD22 ASN 23 3.236 8.479 -6.607 151 H GLN 24 H GLN 24 0.540 4.991 -3.680 152 HA GLN 24 HA GLN 24 1.886 6.552 -1.789 153 HB2 GLN 24 HB2 GLN 24 -0.761 5.296 -1.972 154 HB3 GLN 24 HB3 GLN 24 -0.195 5.518 -0.326 155 HG2 GLN 24 HG3 GLN 24 0.346 7.923 -1.077 156 HG3 GLN 24 HG2 GLN 24 -0.730 7.571 -2.427 157 HE21 GLN 24 HE21 GLN 24 -1.143 6.274 0.804 158 HE22 GLN 24 HE22 GLN 24 -2.577 7.162 1.179 159 H CYS 25 H CYS 25 1.048 3.101 -1.677 160 HA CYS 25 HA CYS 25 2.292 2.514 0.767 161 HB2 CYS 25 HB3 CYS 25 1.866 0.805 -1.692 162 HB3 CYS 25 HB2 CYS 25 2.459 0.181 -0.158 163 H ILE 26 H ILE 26 3.633 2.647 -2.535 164 HA ILE 26 HA ILE 26 6.177 1.614 -2.001 165 HB ILE 26 HB ILE 26 5.688 3.903 -3.908 166 HG12 ILE 26 HG13 ILE 26 4.006 2.288 -4.464 167 HG13 ILE 26 HG12 ILE 26 5.296 2.156 -5.653 168 HG21 ILE 26 HG21 ILE 26 7.677 1.644 -3.906 169 HG22 ILE 26 HG22 ILE 26 8.007 3.341 -3.558 170 HG23 ILE 26 HG23 ILE 26 7.510 2.852 -5.179 171 HD11 ILE 26 HD11 ILE 26 4.463 -0.010 -4.990 172 HD12 ILE 26 HD12 ILE 26 4.860 0.344 -3.307 173 HD13 ILE 26 HD13 ILE 26 6.148 0.192 -4.503 174 H ARG 27 H ARG 27 5.146 4.989 -2.139 175 HA ARG 27 HA ARG 27 7.696 5.992 -1.320 176 HB2 ARG 27 HB3 ARG 27 5.051 7.447 -1.397 177 HB3 ARG 27 HB2 ARG 27 6.648 8.177 -1.383 178 HG2 ARG 27 HG3 ARG 27 7.104 7.170 -3.579 179 HG3 ARG 27 HG2 ARG 27 5.466 6.504 -3.580 180 HD2 ARG 27 HD3 ARG 27 5.542 8.553 -4.881 181 HD3 ARG 27 HD2 ARG 27 4.555 8.778 -3.438 182 HE ARG 27 HE ARG 27 7.359 9.617 -3.349 183 HH11 ARG 27 HH11 ARG 27 3.961 10.491 -3.440 184 HH12 ARG 27 HH12 ARG 27 4.249 12.149 -3.034 185 HH21 ARG 27 HH22 ARG 27 7.735 11.808 -2.827 186 HH22 ARG 27 HH21 ARG 27 6.393 12.901 -2.691 187 H LEU 28 H LEU 28 4.495 6.100 0.218 188 HA LEU 28 HA LEU 28 5.566 7.411 2.523 189 HB2 LEU 28 HB3 LEU 28 2.827 6.219 2.117 190 HB3 LEU 28 HB2 LEU 28 3.289 7.365 3.362 191 HG LEU 28 HG LEU 28 3.294 7.948 0.398 192 HD11 LEU 28 HD11 LEU 28 1.032 7.640 1.227 193 HD12 LEU 28 HD12 LEU 28 1.342 9.344 0.889 194 HD13 LEU 28 HD13 LEU 28 1.349 8.758 2.553 195 HD21 LEU 28 HD21 LEU 28 4.940 9.260 1.607 196 HD22 LEU 28 HD22 LEU 28 3.721 9.732 2.791 197 HD23 LEU 28 HD23 LEU 28 3.584 10.276 1.118 198 H GLU 29 H GLU 29 4.477 4.113 1.820 199 HA GLU 29 HA GLU 29 5.085 3.439 4.605 200 HB2 GLU 29 HB2 GLU 29 3.292 1.998 2.652 201 HB3 GLU 29 HB3 GLU 29 3.602 1.490 4.303 202 HG2 GLU 29 HG2 GLU 29 2.786 3.786 5.012 203 HG3 GLU 29 HG3 GLU 29 2.193 3.959 3.365 204 H LYS 30 H LYS 30 6.567 3.400 1.803 205 HA LYS 30 HA LYS 30 8.406 2.377 0.960 206 HB2 LYS 30 HB3 LYS 30 8.669 1.324 3.777 207 HB3 LYS 30 HB2 LYS 30 9.944 1.335 2.565 208 HG2 LYS 30 HG3 LYS 30 9.878 3.780 2.520 209 HG3 LYS 30 HG2 LYS 30 8.607 3.764 3.744 210 HD2 LYS 30 HD3 LYS 30 11.386 2.640 4.095 211 HD3 LYS 30 HD2 LYS 30 10.835 4.202 4.703 212 HE2 LYS 30 HE3 LYS 30 9.198 3.102 6.116 213 HE3 LYS 30 HE2 LYS 30 9.653 1.531 5.460 214 HZ1 LYS 30 HZ1 LYS 30 10.691 1.890 7.586 215 HZ2 LYS 30 HZ2 LYS 30 11.395 3.329 7.052 216 HZ3 LYS 30 HZ3 LYS 30 11.876 1.853 6.383 217 H ALA 31 H ALA 31 5.908 0.978 0.715 218 HA ALA 31 HA ALA 31 6.443 -1.832 1.089 219 HB1 ALA 31 HB1 ALA 31 4.222 -0.562 -0.499 220 HB2 ALA 31 HB2 ALA 31 4.167 -0.790 1.249 221 HB3 ALA 31 HB3 ALA 31 4.265 -2.191 0.178 222 H ARG 32 H ARG 32 6.706 -3.358 -0.557 223 HA ARG 32 HA ARG 32 8.276 -2.442 -2.782 224 HB2 ARG 32 HB3 ARG 32 7.274 -5.225 -2.150 225 HB3 ARG 32 HB2 ARG 32 8.551 -4.808 -3.275 226 HG2 ARG 32 HG3 ARG 32 8.661 -4.323 -0.311 227 HG3 ARG 32 HG2 ARG 32 9.376 -5.709 -1.134 228 HD2 ARG 32 HD3 ARG 32 10.773 -4.159 -2.455 229 HD3 ARG 32 HD2 ARG 32 10.098 -2.809 -1.544 230 HE ARG 32 HE ARG 32 11.135 -4.686 0.261 231 HH11 ARG 32 HH11 ARG 32 12.264 -2.403 -2.140 232 HH12 ARG 32 HH12 ARG 32 13.789 -2.148 -1.362 233 HH21 ARG 32 HH22 ARG 32 13.139 -4.345 1.286 234 HH22 ARG 32 HH21 ARG 32 14.292 -3.257 0.584 235 H HIS 33 H HIS 33 5.045 -3.557 -2.210 236 HA HIS 33 HA HIS 33 4.223 -2.715 -4.851 237 HB2 HIS 33 HB3 HIS 33 4.860 -5.079 -5.199 238 HB3 HIS 33 HB2 HIS 33 3.790 -5.566 -3.893 239 HD1 HIS 33 HD1 HIS 33 3.589 -3.975 -7.351 240 HD2 HIS 33 HD2 HIS 33 1.264 -6.175 -4.691 241 HE1 HIS 33 HE1 HIS 33 1.452 -4.485 -8.576 242 HE2 HIS 33 HE2 HIS 33 0.151 -5.980 -7.014 243 H GLY 34 H GLY 34 1.761 -2.808 -4.987 244 HA2 GLY 34 HA2 GLY 34 0.317 -3.139 -2.519 245 HA3 GLY 34 HA3 GLY 34 0.458 -1.464 -3.029 246 H SER 35 H SER 35 -2.027 -2.613 -2.833 247 HA SER 35 HA SER 35 -2.970 -2.384 -5.541 248 HB2 SER 35 HB2 SER 35 -2.204 -4.820 -5.240 249 HB3 SER 35 HB3 SER 35 -3.559 -4.987 -4.127 250 HG SER 35 HG SER 35 -4.972 -4.595 -5.783 251 H CYS 36 H CYS 36 -5.281 -2.217 -5.634 252 HA CYS 36 HA CYS 36 -6.451 -1.375 -3.099 253 HB2 CYS 36 HB3 CYS 36 -6.623 0.042 -5.175 254 HB3 CYS 36 HB2 CYS 36 -7.650 -1.205 -5.872 255 H ASN 37 H ASN 37 -6.423 -3.574 -2.353 256 HA ASN 37 HA ASN 37 -7.620 -5.714 -3.718 257 HB2 ASN 37 HB3 ASN 37 -6.469 -6.787 -2.148 258 HB3 ASN 37 HB2 ASN 37 -6.221 -5.291 -1.259 259 HD21 ASN 37 HD21 ASN 37 -7.742 -4.716 0.328 260 HD22 ASN 37 HD22 ASN 37 -8.604 -5.943 1.149 261 H TYR 38 H TYR 38 -9.476 -6.907 -3.187 262 HA TYR 38 HA TYR 38 -11.702 -5.140 -2.497 263 HB2 TYR 38 HB2 TYR 38 -11.829 -6.300 -4.657 264 HB3 TYR 38 HB3 TYR 38 -11.720 -7.853 -3.831 265 HD1 TYR 38 HD1 TYR 38 -13.767 -4.737 -3.669 266 HD2 TYR 38 HD2 TYR 38 -13.697 -8.980 -3.473 267 HE1 TYR 38 HE1 TYR 38 -16.209 -4.759 -3.421 268 HE2 TYR 38 HE2 TYR 38 -16.139 -9.018 -3.222 269 HH TYR 38 HH TYR 38 -18.091 -6.386 -3.879 270 H VAL 39 H VAL 39 -11.100 -5.302 -0.213 271 HA VAL 39 HA VAL 39 -11.829 -7.751 1.116 272 HB VAL 39 HB VAL 39 -10.242 -6.341 2.255 273 HG11 VAL 39 HG21 VAL 39 -10.801 -4.108 3.085 274 HG12 VAL 39 HG22 VAL 39 -12.352 -4.191 2.250 275 HG13 VAL 39 HG23 VAL 39 -10.851 -4.188 1.324 276 HG21 VAL 39 HG13 VAL 39 -11.330 -6.068 4.441 277 HG22 VAL 39 HG11 VAL 39 -11.725 -7.611 3.684 278 HG23 VAL 39 HG12 VAL 39 -12.901 -6.296 3.672 279 H PHE 40 H PHE 40 -13.829 -8.406 0.861 280 HA PHE 40 HA PHE 40 -15.937 -7.027 -0.167 281 HB2 PHE 40 HB2 PHE 40 -15.793 -9.491 0.053 282 HB3 PHE 40 HB3 PHE 40 -16.125 -9.334 1.770 283 HD1 PHE 40 HD1 PHE 40 -17.551 -8.906 -1.599 284 HD2 PHE 40 HD2 PHE 40 -18.332 -9.078 2.581 285 HE1 PHE 40 HE1 PHE 40 -19.962 -9.042 -2.059 286 HE2 PHE 40 HE2 PHE 40 -20.744 -9.214 2.125 287 HZ PHE 40 HZ PHE 40 -21.563 -9.195 -0.195 288 HA PRO 41 HA PRO 41 -17.651 -6.481 -0.440 289 HB2 PRO 41 HB3 PRO 41 -19.717 -4.839 -0.430 290 HB3 PRO 41 HB2 PRO 41 -19.774 -6.327 0.525 291 HG2 PRO 41 HG3 PRO 41 -19.376 -3.516 1.424 292 HG3 PRO 41 HG2 PRO 41 -20.187 -4.855 2.253 293 HD2 PRO 41 HD3 PRO 41 -17.495 -3.955 2.606 294 HD3 PRO 41 HD2 PRO 41 -18.276 -5.359 3.362 295 H ALA 42 H ALA 42 -15.500 -4.483 0.476 296 HA ALA 42 HA ALA 42 -16.020 -2.423 -1.563 297 HB1 ALA 42 HB1 ALA 42 -14.917 -1.866 1.183 298 HB2 ALA 42 HB2 ALA 42 -16.567 -1.529 0.665 299 HB3 ALA 42 HB3 ALA 42 -15.217 -0.683 -0.090 300 H HIS 43 H HIS 43 -14.019 -1.119 -2.037 301 HA HIS 43 HA HIS 43 -11.675 -2.876 -2.097 302 HB2 HIS 43 HB3 HIS 43 -12.501 -0.503 -3.744 303 HB3 HIS 43 HB2 HIS 43 -10.819 -1.018 -3.695 304 HD1 HIS 43 HD1 HIS 43 -10.184 -3.129 -4.980 305 HD2 HIS 43 HD2 HIS 43 -14.260 -2.298 -5.048 306 HE1 HIS 43 HE1 HIS 43 -11.163 -4.672 -6.706 307 HE2 HIS 43 HE2 HIS 43 -13.605 -4.060 -6.826 308 H LYS 44 H LYS 44 -9.910 -2.459 -0.970 309 HA LYS 44 HA LYS 44 -9.669 0.159 0.350 310 HB2 LYS 44 HB3 LYS 44 -9.501 -2.586 1.533 311 HB3 LYS 44 HB2 LYS 44 -8.541 -1.285 2.223 312 HG2 LYS 44 HG3 LYS 44 -11.511 -1.095 1.835 313 HG3 LYS 44 HG2 LYS 44 -10.766 -1.710 3.314 314 HD2 LYS 44 HD3 LYS 44 -9.525 0.433 3.506 315 HD3 LYS 44 HD2 LYS 44 -10.415 1.033 2.107 316 HE2 LYS 44 HE3 LYS 44 -12.504 0.826 3.294 317 HE3 LYS 44 HE2 LYS 44 -11.687 0.078 4.666 318 HZ1 LYS 44 HZ1 LYS 44 -12.160 2.430 5.037 319 HZ2 LYS 44 HZ2 LYS 44 -11.208 2.844 3.700 320 HZ3 LYS 44 HZ3 LYS 44 -10.496 2.121 5.056 321 H CYS 45 H CYS 45 -7.576 0.890 0.697 322 HA CYS 45 HA CYS 45 -5.670 -0.027 -1.233 323 HB2 CYS 45 HB3 CYS 45 -5.935 2.378 -0.557 324 HB3 CYS 45 HB2 CYS 45 -5.238 1.961 1.006 325 H ILE 46 H ILE 46 -4.330 -1.663 -0.943 326 HA ILE 46 HA ILE 46 -3.554 -2.370 1.802 327 HB ILE 46 HB ILE 46 -4.465 -4.237 -0.395 328 HG12 ILE 46 HG13 ILE 46 -6.271 -3.234 0.903 329 HG13 ILE 46 HG12 ILE 46 -6.126 -4.954 1.250 330 HG21 ILE 46 HG21 ILE 46 -3.980 -6.073 1.152 331 HG22 ILE 46 HG22 ILE 46 -3.209 -4.926 2.250 332 HG23 ILE 46 HG23 ILE 46 -2.524 -5.211 0.647 333 HD11 ILE 46 HD11 ILE 46 -6.544 -3.796 3.283 334 HD12 ILE 46 HD12 ILE 46 -5.225 -2.669 2.972 335 HD13 ILE 46 HD13 ILE 46 -4.874 -4.366 3.307 336 H CYS 47 H CYS 47 -1.446 -2.288 2.050 337 HA CYS 47 HA CYS 47 0.307 -2.140 -0.248 338 HB2 CYS 47 HB3 CYS 47 1.023 -2.053 2.693 339 HB3 CYS 47 HB2 CYS 47 2.024 -1.529 1.346 340 H TYR 48 H TYR 48 2.098 -3.537 -0.593 341 HA TYR 48 HA TYR 48 1.763 -6.191 0.638 342 HB2 TYR 48 HB2 TYR 48 2.723 -5.389 -2.102 343 HB3 TYR 48 HB3 TYR 48 2.975 -7.002 -1.449 344 HD1 TYR 48 HD2 TYR 48 0.016 -4.726 -1.337 345 HD2 TYR 48 HD1 TYR 48 1.612 -8.452 -2.591 346 HE1 TYR 48 HE2 TYR 48 -2.186 -5.369 -2.170 347 HE2 TYR 48 HE1 TYR 48 -0.590 -9.128 -3.415 348 HH TYR 48 HH TYR 48 -2.917 -8.589 -3.152 349 H PHE 49 H PHE 49 3.290 -6.792 1.963 350 HA PHE 49 HA PHE 49 6.034 -5.855 1.468 351 HB2 PHE 49 HB2 PHE 49 4.767 -6.488 4.138 352 HB3 PHE 49 HB3 PHE 49 6.440 -6.016 3.889 353 HD1 PHE 49 HD1 PHE 49 7.021 -3.741 3.309 354 HD2 PHE 49 HD2 PHE 49 2.983 -4.866 4.023 355 HE1 PHE 49 HE1 PHE 49 6.397 -1.369 3.521 356 HE2 PHE 49 HE2 PHE 49 2.352 -2.508 4.240 357 HZ PHE 49 HZ PHE 49 4.056 -0.744 3.983 358 HA PRO 50 HA PRO 50 6.897 -10.149 0.887 359 HB2 PRO 50 HB3 PRO 50 9.632 -9.531 1.743 360 HB3 PRO 50 HB2 PRO 50 9.041 -10.154 0.203 361 HG2 PRO 50 HG3 PRO 50 9.961 -7.630 0.496 362 HG3 PRO 50 HG2 PRO 50 8.691 -8.055 -0.663 363 HD2 PRO 50 HD3 PRO 50 8.458 -6.710 1.998 364 HD3 PRO 50 HD2 PRO 50 7.526 -6.458 0.509 365 H CYS 51 H CYS 51 6.216 -11.544 2.370 366 HA CYS 51 HA CYS 51 7.726 -11.584 4.890 367 HB2 CYS 51 HB3 CYS 51 5.913 -11.842 6.218 368 HB3 CYS 51 HB2 CYS 51 5.125 -10.983 4.909 Start of MODEL 7 1 HA PCA 1 HA PCA 1 6.601 -17.204 -0.288 2 HB2 PCA 1 HB2 PCA 1 8.722 -17.453 0.426 3 HB3 PCA 1 HB3 PCA 1 9.264 -16.352 -0.845 4 HG2 PCA 1 HG2 PCA 1 10.049 -18.101 -2.070 5 H ARG 2 H ARG 2 5.106 -15.845 -1.478 6 HA ARG 2 HA ARG 2 6.381 -13.688 -2.997 7 HB2 ARG 2 HB3 ARG 2 4.160 -13.085 -3.750 8 HB3 ARG 2 HB2 ARG 2 4.458 -14.786 -4.058 9 HG2 ARG 2 HG3 ARG 2 3.039 -15.449 -2.283 10 HG3 ARG 2 HG2 ARG 2 2.939 -13.800 -1.660 11 HD2 ARG 2 HD3 ARG 2 0.911 -14.434 -2.883 12 HD3 ARG 2 HD2 ARG 2 1.756 -13.091 -3.657 13 HE ARG 2 HE ARG 2 2.456 -15.681 -4.711 14 HH11 ARG 2 HH11 ARG 2 0.221 -12.997 -4.928 15 HH12 ARG 2 HH12 ARG 2 -0.211 -13.326 -6.576 16 HH21 ARG 2 HH22 ARG 2 1.890 -16.121 -6.873 17 HH22 ARG 2 HH21 ARG 2 0.727 -15.118 -7.680 18 H LEU 3 H LEU 3 4.466 -11.752 -2.571 19 HA LEU 3 HA LEU 3 5.411 -10.567 -0.167 20 HB2 LEU 3 HB3 LEU 3 3.213 -9.768 -2.064 21 HB3 LEU 3 HB2 LEU 3 3.828 -8.759 -0.772 22 HG LEU 3 HG LEU 3 5.635 -9.789 -2.943 23 HD11 LEU 3 HD11 LEU 3 4.082 -7.207 -2.979 24 HD12 LEU 3 HD12 LEU 3 3.764 -8.605 -4.005 25 HD13 LEU 3 HD13 LEU 3 5.285 -7.725 -4.160 26 HD21 LEU 3 HD21 LEU 3 6.951 -7.810 -2.332 27 HD22 LEU 3 HD22 LEU 3 6.712 -8.892 -0.961 28 HD23 LEU 3 HD23 LEU 3 5.761 -7.413 -1.093 29 H CYS 4 H CYS 4 4.021 -9.667 1.509 30 HA CYS 4 HA CYS 4 1.561 -11.212 1.999 31 HB2 CYS 4 HB3 CYS 4 3.674 -10.244 3.920 32 HB3 CYS 4 HB2 CYS 4 2.035 -10.578 4.465 33 H GLU 5 H GLU 5 -0.245 -10.025 2.077 34 HA GLU 5 HA GLU 5 -0.025 -7.213 1.595 35 HB2 GLU 5 HB2 GLU 5 -2.598 -8.649 2.174 36 HB3 GLU 5 HB3 GLU 5 -2.333 -7.200 1.218 37 HG2 GLU 5 HG2 GLU 5 -2.662 -8.687 -0.441 38 HG3 GLU 5 HG3 GLU 5 -0.914 -8.826 -0.266 39 H LYS 6 H LYS 6 -0.504 -5.549 2.833 40 HA LYS 6 HA LYS 6 -1.364 -5.975 5.612 41 HB2 LYS 6 HB3 LYS 6 1.074 -4.657 4.557 42 HB3 LYS 6 HB2 LYS 6 0.289 -3.863 5.894 43 HG2 LYS 6 HG3 LYS 6 1.943 -5.220 6.852 44 HG3 LYS 6 HG2 LYS 6 0.425 -6.073 7.120 45 HD2 LYS 6 HD3 LYS 6 0.913 -7.470 5.135 46 HD3 LYS 6 HD2 LYS 6 2.476 -6.664 4.990 47 HE2 LYS 6 HE3 LYS 6 1.522 -8.284 7.351 48 HE3 LYS 6 HE2 LYS 6 2.684 -8.811 6.136 49 HZ1 LYS 6 HZ1 LYS 6 4.164 -7.030 6.835 50 HZ2 LYS 6 HZ2 LYS 6 3.799 -8.047 8.130 51 HZ3 LYS 6 HZ3 LYS 6 3.052 -6.536 8.009 52 HA PRO 7 HA PRO 7 -4.283 -2.830 4.507 53 HB2 PRO 7 HB3 PRO 7 -4.776 -1.784 6.987 54 HB3 PRO 7 HB2 PRO 7 -5.478 -3.295 6.404 55 HG2 PRO 7 HG3 PRO 7 -3.111 -2.869 8.184 56 HG3 PRO 7 HG2 PRO 7 -4.406 -4.072 8.312 57 HD2 PRO 7 HD3 PRO 7 -1.976 -4.690 7.325 58 HD3 PRO 7 HD2 PRO 7 -3.461 -5.444 6.705 59 H SER 8 H SER 8 -4.174 -0.750 3.869 60 HA SER 8 HA SER 8 -1.751 0.638 3.961 61 HB2 SER 8 HB2 SER 8 -3.177 2.578 3.090 62 HB3 SER 8 HB3 SER 8 -3.198 1.091 2.145 63 HG SER 8 HG SER 8 -5.207 0.666 2.799 64 H GLY 9 H GLY 9 -0.890 2.070 5.299 65 HA2 GLY 9 HA2 GLY 9 -2.517 2.907 7.620 66 HA3 GLY 9 HA3 GLY 9 -0.768 2.716 7.633 67 H THR 10 H THR 10 -1.963 4.107 4.793 68 HA THR 10 HA THR 10 -1.475 6.831 5.800 69 HB THR 10 HB THR 10 -0.372 7.309 3.580 70 HG1 THR 10 HG1 THR 10 -0.076 4.465 3.429 71 HG21 THR 10 HG21 THR 10 0.993 5.288 5.363 72 HG22 THR 10 HG22 THR 10 0.947 7.031 5.621 73 HG23 THR 10 HG23 THR 10 1.797 6.368 4.226 74 H TRP 11 H TRP 11 -3.552 4.752 4.223 75 HA TRP 11 HA TRP 11 -4.670 6.850 2.502 76 HB2 TRP 11 HB3 TRP 11 -3.966 4.546 1.577 77 HB3 TRP 11 HB2 TRP 11 -5.385 3.924 2.398 78 HD1 TRP 11 HD1 TRP 11 -7.805 4.733 1.416 79 HE1 TRP 11 HE1 TRP 11 -8.486 5.541 -0.922 80 HE3 TRP 11 HE3 TRP 11 -3.164 5.763 -0.472 81 HZ2 TRP 11 HZ2 TRP 11 -7.230 6.456 -3.264 82 HZ3 TRP 11 HZ3 TRP 11 -2.997 6.590 -2.780 83 HH2 TRP 11 HH2 TRP 11 -4.989 6.931 -4.150 84 H SER 12 H SER 12 -7.079 6.586 2.224 85 HA SER 12 HA SER 12 -8.405 6.556 4.812 86 HB2 SER 12 HB2 SER 12 -9.472 7.226 2.061 87 HB3 SER 12 HB3 SER 12 -10.286 7.529 3.595 88 HG SER 12 HG SER 12 -7.786 8.644 2.822 89 H GLY 13 H GLY 13 -10.961 5.814 3.824 90 HA2 GLY 13 HA2 GLY 13 -10.922 3.004 4.008 91 HA3 GLY 13 HA3 GLY 13 -12.288 3.975 3.520 92 H VAL 14 H VAL 14 -13.025 3.553 1.625 93 HA VAL 14 HA VAL 14 -11.916 1.819 -0.229 94 HB VAL 14 HB VAL 14 -14.310 2.399 -0.049 95 HG11 VAL 14 HG21 VAL 14 -13.484 4.962 -1.396 96 HG12 VAL 14 HG22 VAL 14 -14.101 4.792 0.245 97 HG13 VAL 14 HG23 VAL 14 -15.145 4.432 -1.131 98 HG21 VAL 14 HG13 VAL 14 -13.474 1.272 -2.029 99 HG22 VAL 14 HG11 VAL 14 -13.133 2.827 -2.784 100 HG23 VAL 14 HG12 VAL 14 -14.798 2.362 -2.434 101 H CYS 15 H CYS 15 -10.929 2.131 -2.246 102 HA CYS 15 HA CYS 15 -9.826 4.811 -2.739 103 HB2 CYS 15 HB3 CYS 15 -7.700 3.623 -3.457 104 HB3 CYS 15 HB2 CYS 15 -8.028 3.651 -1.731 105 H GLY 16 H GLY 16 -9.381 5.325 -4.884 106 HA2 GLY 16 HA2 GLY 16 -11.207 4.064 -6.736 107 HA3 GLY 16 HA3 GLY 16 -10.285 5.538 -6.995 108 H ASN 17 H ASN 17 -7.720 4.613 -6.551 109 HA ASN 17 HA ASN 17 -7.409 2.936 -8.954 110 HB2 ASN 17 HB3 ASN 17 -5.724 5.228 -7.955 111 HB3 ASN 17 HB2 ASN 17 -5.303 4.222 -9.337 112 HD21 ASN 17 HD21 ASN 17 -7.373 6.698 -8.099 113 HD22 ASN 17 HD22 ASN 17 -8.022 7.198 -9.618 114 H ASN 18 H ASN 18 -6.290 1.115 -8.732 115 HA ASN 18 HA ASN 18 -5.288 0.337 -6.184 116 HB2 ASN 18 HB3 ASN 18 -4.830 -1.785 -7.153 117 HB3 ASN 18 HB2 ASN 18 -6.300 -1.207 -7.918 118 HD21 ASN 18 HD21 ASN 18 -4.321 -3.181 -8.791 119 HD22 ASN 18 HD22 ASN 18 -3.779 -2.649 -10.346 120 H GLY 19 H GLY 19 -3.897 1.679 -9.053 121 HA2 GLY 19 HA2 GLY 19 -1.175 1.151 -8.275 122 HA3 GLY 19 HA3 GLY 19 -1.699 2.146 -9.611 123 H ALA 20 H ALA 20 -3.361 3.930 -8.095 124 HA ALA 20 HA ALA 20 -1.472 5.757 -7.033 125 HB1 ALA 20 HB1 ALA 20 -4.442 5.655 -6.444 126 HB2 ALA 20 HB2 ALA 20 -3.742 6.383 -7.888 127 HB3 ALA 20 HB3 ALA 20 -3.375 7.050 -6.297 128 H CYS 21 H CYS 21 -3.657 3.390 -5.585 129 HA CYS 21 HA CYS 21 -2.919 3.687 -2.897 130 HB2 CYS 21 HB3 CYS 21 -4.821 2.337 -3.437 131 HB3 CYS 21 HB2 CYS 21 -3.866 1.302 -4.493 132 H ARG 22 H ARG 22 -1.635 1.572 -5.452 133 HA ARG 22 HA ARG 22 0.395 0.279 -4.082 134 HB2 ARG 22 HB3 ARG 22 -0.247 -0.261 -6.371 135 HB3 ARG 22 HB2 ARG 22 0.314 1.307 -6.924 136 HG2 ARG 22 HG3 ARG 22 2.618 0.643 -6.236 137 HG3 ARG 22 HG2 ARG 22 1.987 -0.977 -5.921 138 HD2 ARG 22 HD3 ARG 22 2.963 -0.863 -8.150 139 HD3 ARG 22 HD2 ARG 22 1.223 -1.122 -8.247 140 HE ARG 22 HE ARG 22 2.190 1.627 -8.448 141 HH11 ARG 22 HH11 ARG 22 0.964 -1.219 -10.079 142 HH12 ARG 22 HH12 ARG 22 0.492 -0.353 -11.504 143 HH21 ARG 22 HH22 ARG 22 1.562 2.771 -10.327 144 HH22 ARG 22 HH21 ARG 22 0.842 1.912 -11.651 145 H ASN 23 H ASN 23 0.558 3.248 -5.938 146 HA ASN 23 HA ASN 23 3.205 3.923 -5.683 147 HB2 ASN 23 HB3 ASN 23 1.408 4.973 -7.116 148 HB3 ASN 23 HB2 ASN 23 0.868 5.848 -5.694 149 HD21 ASN 23 HD21 ASN 23 1.681 6.961 -8.111 150 HD22 ASN 23 HD22 ASN 23 3.075 7.926 -7.808 151 H GLN 24 H GLN 24 0.525 4.876 -3.563 152 HA GLN 24 HA GLN 24 2.053 6.564 -1.896 153 HB2 GLN 24 HB2 GLN 24 -0.499 6.392 -2.138 154 HB3 GLN 24 HB3 GLN 24 -0.391 5.074 -0.986 155 HG2 GLN 24 HG3 GLN 24 0.552 6.520 0.670 156 HG3 GLN 24 HG2 GLN 24 0.641 7.852 -0.484 157 HE21 GLN 24 HE21 GLN 24 -1.401 5.931 1.531 158 HE22 GLN 24 HE22 GLN 24 -2.806 6.938 1.421 159 H CYS 25 H CYS 25 1.020 3.205 -1.578 160 HA CYS 25 HA CYS 25 2.271 2.555 0.822 161 HB2 CYS 25 HB3 CYS 25 1.907 0.846 -1.652 162 HB3 CYS 25 HB2 CYS 25 2.362 0.231 -0.072 163 H ILE 26 H ILE 26 3.616 2.684 -2.466 164 HA ILE 26 HA ILE 26 6.124 1.562 -1.997 165 HB ILE 26 HB ILE 26 5.706 3.931 -3.817 166 HG12 ILE 26 HG13 ILE 26 3.939 2.408 -4.391 167 HG13 ILE 26 HG12 ILE 26 5.197 2.279 -5.615 168 HG21 ILE 26 HG21 ILE 26 7.462 2.865 -5.150 169 HG22 ILE 26 HG22 ILE 26 7.579 1.578 -3.951 170 HG23 ILE 26 HG23 ILE 26 8.004 3.234 -3.513 171 HD11 ILE 26 HD11 ILE 26 4.775 0.383 -3.333 172 HD12 ILE 26 HD12 ILE 26 5.989 0.233 -4.606 173 HD13 ILE 26 HD13 ILE 26 4.273 0.124 -5.002 174 H ARG 27 H ARG 27 5.225 4.981 -1.996 175 HA ARG 27 HA ARG 27 7.898 5.745 -1.248 176 HB2 ARG 27 HB3 ARG 27 5.495 7.546 -1.473 177 HB3 ARG 27 HB2 ARG 27 7.192 7.994 -1.598 178 HG2 ARG 27 HG3 ARG 27 7.330 6.549 -3.637 179 HG3 ARG 27 HG2 ARG 27 5.578 6.375 -3.539 180 HD2 ARG 27 HD3 ARG 27 7.086 8.967 -3.843 181 HD3 ARG 27 HD2 ARG 27 6.219 8.124 -5.123 182 HE ARG 27 HE ARG 27 4.559 8.745 -2.868 183 HH11 ARG 27 HH11 ARG 27 5.927 10.006 -5.832 184 HH12 ARG 27 HH12 ARG 27 4.711 11.227 -6.021 185 HH21 ARG 27 HH22 ARG 27 2.955 10.345 -3.119 186 HH22 ARG 27 HH21 ARG 27 3.019 11.421 -4.480 187 H LEU 28 H LEU 28 4.695 6.054 0.284 188 HA LEU 28 HA LEU 28 5.863 7.346 2.582 189 HB2 LEU 28 HB3 LEU 28 3.057 6.380 2.062 190 HB3 LEU 28 HB2 LEU 28 3.550 7.238 3.509 191 HG LEU 28 HG LEU 28 3.611 8.329 0.697 192 HD11 LEU 28 HD11 LEU 28 1.361 8.165 1.561 193 HD12 LEU 28 HD12 LEU 28 1.872 9.853 1.538 194 HD13 LEU 28 HD13 LEU 28 1.849 8.960 3.058 195 HD21 LEU 28 HD21 LEU 28 5.447 9.242 1.974 196 HD22 LEU 28 HD22 LEU 28 4.367 9.609 3.318 197 HD23 LEU 28 HD23 LEU 28 4.190 10.465 1.787 198 H GLU 29 H GLU 29 4.510 4.142 1.905 199 HA GLU 29 HA GLU 29 5.125 3.388 4.663 200 HB2 GLU 29 HB2 GLU 29 3.375 2.024 2.615 201 HB3 GLU 29 HB3 GLU 29 3.655 1.434 4.246 202 HG2 GLU 29 HG2 GLU 29 2.785 3.650 5.071 203 HG3 GLU 29 HG3 GLU 29 2.271 3.960 3.418 204 H LYS 30 H LYS 30 6.607 3.365 1.831 205 HA LYS 30 HA LYS 30 8.413 2.330 0.945 206 HB2 LYS 30 HB3 LYS 30 8.739 1.282 3.758 207 HB3 LYS 30 HB2 LYS 30 9.977 1.243 2.512 208 HG2 LYS 30 HG3 LYS 30 8.737 3.728 3.678 209 HG3 LYS 30 HG2 LYS 30 10.324 3.073 4.087 210 HD2 LYS 30 HD3 LYS 30 11.056 3.396 1.774 211 HD3 LYS 30 HD2 LYS 30 9.465 4.033 1.356 212 HE2 LYS 30 HE3 LYS 30 11.046 5.846 1.704 213 HE3 LYS 30 HE2 LYS 30 9.789 5.871 2.938 214 HZ1 LYS 30 HZ1 LYS 30 11.314 4.815 4.474 215 HZ2 LYS 30 HZ2 LYS 30 11.981 6.247 3.880 216 HZ3 LYS 30 HZ3 LYS 30 12.519 4.758 3.287 217 H ALA 31 H ALA 31 5.842 0.947 0.880 218 HA ALA 31 HA ALA 31 6.391 -1.872 1.079 219 HB1 ALA 31 HB1 ALA 31 4.173 -2.169 0.158 220 HB2 ALA 31 HB2 ALA 31 4.109 -0.471 -0.305 221 HB3 ALA 31 HB3 ALA 31 4.123 -0.916 1.401 222 H ARG 32 H ARG 32 6.566 -3.328 -0.685 223 HA ARG 32 HA ARG 32 7.979 -2.220 -2.940 224 HB2 ARG 32 HB3 ARG 32 7.238 -5.071 -2.287 225 HB3 ARG 32 HB2 ARG 32 8.339 -4.564 -3.551 226 HG2 ARG 32 HG3 ARG 32 8.734 -4.151 -0.600 227 HG3 ARG 32 HG2 ARG 32 9.532 -5.366 -1.584 228 HD2 ARG 32 HD3 ARG 32 11.062 -3.553 -1.254 229 HD3 ARG 32 HD2 ARG 32 10.532 -3.516 -2.934 230 HE ARG 32 HE ARG 32 8.929 -1.842 -1.274 231 HH11 ARG 32 HH11 ARG 32 12.054 -1.969 -2.836 232 HH12 ARG 32 HH12 ARG 32 12.120 -0.261 -3.119 233 HH21 ARG 32 HH22 ARG 32 9.002 0.403 -1.661 234 HH22 ARG 32 HH21 ARG 32 10.383 1.092 -2.454 235 H HIS 33 H HIS 33 4.825 -3.387 -2.236 236 HA HIS 33 HA HIS 33 3.903 -2.529 -4.836 237 HB2 HIS 33 HB3 HIS 33 4.520 -4.902 -5.215 238 HB3 HIS 33 HB2 HIS 33 3.451 -5.380 -3.905 239 HD1 HIS 33 HD1 HIS 33 3.221 -3.650 -7.289 240 HD2 HIS 33 HD2 HIS 33 0.943 -6.007 -4.727 241 HE1 HIS 33 HE1 HIS 33 1.072 -4.104 -8.513 242 HE2 HIS 33 HE2 HIS 33 -0.197 -5.695 -7.025 243 H GLY 34 H GLY 34 1.470 -2.563 -4.902 244 HA2 GLY 34 HA2 GLY 34 -0.004 -3.121 -2.524 245 HA3 GLY 34 HA3 GLY 34 0.213 -1.395 -2.760 246 H SER 35 H SER 35 -2.298 -2.685 -2.807 247 HA SER 35 HA SER 35 -3.255 -1.795 -5.362 248 HB2 SER 35 HB2 SER 35 -3.390 -4.744 -4.678 249 HB3 SER 35 HB3 SER 35 -4.305 -3.980 -5.976 250 HG SER 35 HG SER 35 -1.742 -3.286 -6.227 251 H CYS 36 H CYS 36 -5.525 -1.539 -5.384 252 HA CYS 36 HA CYS 36 -6.805 -1.445 -2.848 253 HB2 CYS 36 HB3 CYS 36 -7.723 -0.942 -5.674 254 HB3 CYS 36 HB2 CYS 36 -8.781 -0.829 -4.285 255 H ASN 37 H ASN 37 -6.679 -3.609 -2.204 256 HA ASN 37 HA ASN 37 -7.801 -5.697 -3.824 257 HB2 ASN 37 HB3 ASN 37 -6.234 -6.740 -2.625 258 HB3 ASN 37 HB2 ASN 37 -6.197 -5.491 -1.389 259 HD21 ASN 37 HD21 ASN 37 -7.676 -5.626 0.314 260 HD22 ASN 37 HD22 ASN 37 -8.263 -7.159 0.805 261 H TYR 38 H TYR 38 -9.484 -7.123 -3.021 262 HA TYR 38 HA TYR 38 -11.706 -5.409 -2.291 263 HB2 TYR 38 HB2 TYR 38 -11.855 -6.955 -4.238 264 HB3 TYR 38 HB3 TYR 38 -11.799 -8.310 -3.113 265 HD1 TYR 38 HD2 TYR 38 -13.694 -5.135 -3.605 266 HD2 TYR 38 HD1 TYR 38 -13.816 -9.223 -2.461 267 HE1 TYR 38 HE2 TYR 38 -16.129 -4.970 -3.317 268 HE2 TYR 38 HE1 TYR 38 -16.250 -9.076 -2.166 269 HH TYR 38 HH TYR 38 -18.088 -6.453 -3.303 270 H VAL 39 H VAL 39 -11.045 -5.151 -0.066 271 HA VAL 39 HA VAL 39 -11.637 -7.334 1.727 272 HB VAL 39 HB VAL 39 -11.443 -4.367 2.320 273 HG11 VAL 39 HG21 VAL 39 -11.191 -5.050 4.657 274 HG12 VAL 39 HG22 VAL 39 -11.439 -6.732 4.191 275 HG13 VAL 39 HG23 VAL 39 -12.745 -5.565 3.999 276 HG21 VAL 39 HG13 VAL 39 -9.338 -5.273 1.475 277 HG22 VAL 39 HG11 VAL 39 -9.395 -6.549 2.689 278 HG23 VAL 39 HG12 VAL 39 -9.215 -4.867 3.187 279 H PHE 40 H PHE 40 -13.652 -8.074 1.392 280 HA PHE 40 HA PHE 40 -15.837 -6.841 0.367 281 HB2 PHE 40 HB2 PHE 40 -15.651 -9.262 0.789 282 HB3 PHE 40 HB3 PHE 40 -15.840 -8.969 2.508 283 HD1 PHE 40 HD2 PHE 40 -17.571 -8.728 -0.746 284 HD2 PHE 40 HD1 PHE 40 -17.960 -8.815 3.489 285 HE1 PHE 40 HE2 PHE 40 -20.007 -8.958 -0.979 286 HE2 PHE 40 HE1 PHE 40 -20.397 -9.049 3.265 287 HZ PHE 40 HZ PHE 40 -21.425 -9.117 1.027 288 HA PRO 41 HA PRO 41 -17.585 -6.362 0.135 289 HB2 PRO 41 HB3 PRO 41 -19.652 -4.725 0.057 290 HB3 PRO 41 HB2 PRO 41 -19.665 -6.100 1.172 291 HG2 PRO 41 HG3 PRO 41 -19.196 -3.208 1.734 292 HG3 PRO 41 HG2 PRO 41 -20.024 -4.423 2.723 293 HD2 PRO 41 HD3 PRO 41 -17.323 -3.566 2.955 294 HD3 PRO 41 HD2 PRO 41 -18.097 -4.912 3.817 295 H ALA 42 H ALA 42 -15.372 -4.323 0.707 296 HA ALA 42 HA ALA 42 -15.950 -2.530 -1.549 297 HB1 ALA 42 HB1 ALA 42 -16.436 -1.323 0.532 298 HB2 ALA 42 HB2 ALA 42 -15.077 -0.617 -0.343 299 HB3 ALA 42 HB3 ALA 42 -14.785 -1.621 1.078 300 H HIS 43 H HIS 43 -13.986 -1.399 -2.345 301 HA HIS 43 HA HIS 43 -11.660 -3.153 -2.265 302 HB2 HIS 43 HB3 HIS 43 -12.507 -0.889 -4.039 303 HB3 HIS 43 HB2 HIS 43 -10.810 -1.348 -3.964 304 HD1 HIS 43 HD1 HIS 43 -10.101 -3.454 -5.183 305 HD2 HIS 43 HD2 HIS 43 -14.224 -2.882 -5.152 306 HE1 HIS 43 HE1 HIS 43 -11.036 -5.161 -6.773 307 HE2 HIS 43 HE2 HIS 43 -13.533 -4.845 -6.691 308 H LYS 44 H LYS 44 -10.252 -2.856 -0.730 309 HA LYS 44 HA LYS 44 -9.900 -0.165 0.401 310 HB2 LYS 44 HB3 LYS 44 -9.474 -2.918 1.553 311 HB3 LYS 44 HB2 LYS 44 -8.819 -1.474 2.312 312 HG2 LYS 44 HG3 LYS 44 -11.724 -1.739 1.674 313 HG3 LYS 44 HG2 LYS 44 -11.044 -2.362 3.179 314 HD2 LYS 44 HD3 LYS 44 -10.208 -0.108 3.699 315 HD3 LYS 44 HD2 LYS 44 -10.925 0.494 2.203 316 HE2 LYS 44 HE3 LYS 44 -12.358 0.988 4.107 317 HE3 LYS 44 HE2 LYS 44 -13.145 -0.146 3.012 318 HZ1 LYS 44 HZ1 LYS 44 -12.599 -1.946 4.482 319 HZ2 LYS 44 HZ2 LYS 44 -13.393 -0.745 5.367 320 HZ3 LYS 44 HZ3 LYS 44 -11.719 -0.920 5.498 321 H CYS 45 H CYS 45 -7.829 0.613 0.736 322 HA CYS 45 HA CYS 45 -5.960 -0.200 -1.276 323 HB2 CYS 45 HB3 CYS 45 -6.213 2.168 -0.663 324 HB3 CYS 45 HB2 CYS 45 -5.689 1.814 0.978 325 H ILE 46 H ILE 46 -4.634 -1.884 -1.028 326 HA ILE 46 HA ILE 46 -3.749 -2.550 1.696 327 HB ILE 46 HB ILE 46 -4.557 -4.436 -0.525 328 HG12 ILE 46 HG13 ILE 46 -6.416 -3.633 0.804 329 HG13 ILE 46 HG12 ILE 46 -6.090 -5.318 1.193 330 HG21 ILE 46 HG21 ILE 46 -3.237 -5.114 2.094 331 HG22 ILE 46 HG22 ILE 46 -2.502 -5.255 0.494 332 HG23 ILE 46 HG23 ILE 46 -3.882 -6.268 0.923 333 HD11 ILE 46 HD11 ILE 46 -6.562 -4.166 3.209 334 HD12 ILE 46 HD12 ILE 46 -5.388 -2.908 2.833 335 HD13 ILE 46 HD13 ILE 46 -4.841 -4.547 3.192 336 H CYS 47 H CYS 47 -1.668 -2.324 1.966 337 HA CYS 47 HA CYS 47 0.136 -2.119 -0.293 338 HB2 CYS 47 HB3 CYS 47 0.752 -1.945 2.666 339 HB3 CYS 47 HB2 CYS 47 1.796 -1.443 1.353 340 H TYR 48 H TYR 48 1.918 -3.490 -0.637 341 HA TYR 48 HA TYR 48 1.701 -6.101 0.700 342 HB2 TYR 48 HB2 TYR 48 2.663 -5.346 -2.048 343 HB3 TYR 48 HB3 TYR 48 2.985 -6.919 -1.336 344 HD1 TYR 48 HD1 TYR 48 -0.066 -4.753 -1.488 345 HD2 TYR 48 HD2 TYR 48 1.696 -8.521 -2.320 346 HE1 TYR 48 HE1 TYR 48 -2.204 -5.537 -2.370 347 HE2 TYR 48 HE2 TYR 48 -0.437 -9.341 -3.181 348 HH TYR 48 HH TYR 48 -2.894 -8.780 -2.889 349 H PHE 49 H PHE 49 3.239 -6.589 2.059 350 HA PHE 49 HA PHE 49 5.920 -5.443 1.642 351 HB2 PHE 49 HB2 PHE 49 4.572 -6.212 4.241 352 HB3 PHE 49 HB3 PHE 49 6.237 -5.673 4.094 353 HD1 PHE 49 HD2 PHE 49 6.755 -3.354 3.573 354 HD2 PHE 49 HD1 PHE 49 2.744 -4.656 4.093 355 HE1 PHE 49 HE2 PHE 49 6.024 -1.019 3.793 356 HE2 PHE 49 HE1 PHE 49 2.005 -2.330 4.304 357 HZ PHE 49 HZ PHE 49 3.642 -0.506 4.158 358 HA PRO 50 HA PRO 50 7.317 -9.590 0.971 359 HB2 PRO 50 HB3 PRO 50 9.778 -8.695 2.359 360 HB3 PRO 50 HB2 PRO 50 9.584 -9.413 0.758 361 HG2 PRO 50 HG3 PRO 50 10.114 -6.813 1.050 362 HG3 PRO 50 HG2 PRO 50 9.028 -7.395 -0.225 363 HD2 PRO 50 HD3 PRO 50 8.364 -6.071 2.372 364 HD3 PRO 50 HD2 PRO 50 7.589 -5.903 0.785 365 H CYS 51 H CYS 51 6.686 -11.233 2.159 366 HA CYS 51 HA CYS 51 6.326 -11.259 4.925 367 HB2 CYS 51 HB3 CYS 51 6.906 -13.744 3.335 368 HB3 CYS 51 HB2 CYS 51 5.832 -13.555 4.715 Start of MODEL 8 1 HA PCA 1 HA PCA 1 5.400 -13.385 -5.359 2 HB2 PCA 1 HB2 PCA 1 4.211 -11.482 -5.569 3 HB3 PCA 1 HB3 PCA 1 3.755 -11.622 -3.866 4 HG2 PCA 1 HG2 PCA 1 1.678 -12.374 -4.422 5 H ARG 2 H ARG 2 6.795 -12.960 -3.706 6 HA ARG 2 HA ARG 2 6.391 -14.378 -1.220 7 HB2 ARG 2 HB3 ARG 2 8.693 -13.574 -0.701 8 HB3 ARG 2 HB2 ARG 2 8.594 -14.427 -2.236 9 HG2 ARG 2 HG3 ARG 2 8.777 -12.441 -3.474 10 HG3 ARG 2 HG2 ARG 2 8.443 -11.436 -2.064 11 HD2 ARG 2 HD3 ARG 2 10.569 -12.216 -1.067 12 HD3 ARG 2 HD2 ARG 2 10.909 -13.094 -2.559 13 HE ARG 2 HE ARG 2 10.638 -10.743 -3.600 14 HH11 ARG 2 HH11 ARG 2 12.094 -11.456 -0.493 15 HH12 ARG 2 HH12 ARG 2 13.111 -10.054 -0.506 16 HH21 ARG 2 HH22 ARG 2 11.970 -8.905 -3.624 17 HH22 ARG 2 HH21 ARG 2 13.031 -8.586 -2.286 18 H LEU 3 H LEU 3 4.442 -12.565 -1.285 19 HA LEU 3 HA LEU 3 5.371 -10.328 0.387 20 HB2 LEU 3 HB3 LEU 3 3.253 -10.214 -1.761 21 HB3 LEU 3 HB2 LEU 3 3.742 -8.887 -0.730 22 HG LEU 3 HG LEU 3 5.558 -10.239 -2.730 23 HD11 LEU 3 HD11 LEU 3 4.080 -7.622 -2.946 24 HD12 LEU 3 HD12 LEU 3 3.719 -9.091 -3.851 25 HD13 LEU 3 HD13 LEU 3 5.250 -8.254 -4.103 26 HD21 LEU 3 HD21 LEU 3 6.782 -9.214 -0.915 27 HD22 LEU 3 HD22 LEU 3 5.867 -7.719 -1.102 28 HD23 LEU 3 HD23 LEU 3 6.965 -8.246 -2.377 29 H CYS 4 H CYS 4 4.242 -9.978 2.193 30 HA CYS 4 HA CYS 4 1.600 -11.250 2.448 31 HB2 CYS 4 HB3 CYS 4 3.712 -10.603 4.492 32 HB3 CYS 4 HB2 CYS 4 2.024 -10.757 4.971 33 H GLU 5 H GLU 5 -0.095 -9.950 2.500 34 HA GLU 5 HA GLU 5 0.383 -7.196 1.916 35 HB2 GLU 5 HB2 GLU 5 -2.291 -8.514 2.335 36 HB3 GLU 5 HB3 GLU 5 -1.951 -7.027 1.462 37 HG2 GLU 5 HG2 GLU 5 -2.223 -8.473 -0.265 38 HG3 GLU 5 HG3 GLU 5 -0.482 -8.581 -0.026 39 H LYS 6 H LYS 6 -0.482 -5.401 2.933 40 HA LYS 6 HA LYS 6 -1.331 -5.689 5.726 41 HB2 LYS 6 HB3 LYS 6 1.077 -5.219 5.781 42 HB3 LYS 6 HB2 LYS 6 0.849 -3.865 4.696 43 HG2 LYS 6 HG3 LYS 6 -0.443 -2.694 6.383 44 HG3 LYS 6 HG2 LYS 6 -0.267 -4.063 7.480 45 HD2 LYS 6 HD3 LYS 6 2.102 -3.738 7.608 46 HD3 LYS 6 HD2 LYS 6 2.050 -2.517 6.337 47 HE2 LYS 6 HE3 LYS 6 2.260 -1.520 8.572 48 HE3 LYS 6 HE2 LYS 6 0.774 -1.034 7.759 49 HZ1 LYS 6 HZ1 LYS 6 0.344 -1.570 10.052 50 HZ2 LYS 6 HZ2 LYS 6 1.013 -3.112 9.869 51 HZ3 LYS 6 HZ3 LYS 6 -0.417 -2.707 9.059 52 HA PRO 7 HA PRO 7 -4.359 -2.702 4.256 53 HB2 PRO 7 HB3 PRO 7 -5.148 -1.877 6.768 54 HB3 PRO 7 HB2 PRO 7 -5.800 -3.285 5.927 55 HG2 PRO 7 HG3 PRO 7 -3.699 -3.146 8.044 56 HG3 PRO 7 HG2 PRO 7 -5.000 -4.331 7.825 57 HD2 PRO 7 HD3 PRO 7 -2.459 -4.873 7.135 58 HD3 PRO 7 HD2 PRO 7 -3.833 -5.499 6.202 59 H SER 8 H SER 8 -3.880 -0.741 3.577 60 HA SER 8 HA SER 8 -1.552 0.608 4.139 61 HB2 SER 8 HB2 SER 8 -2.752 2.593 3.066 62 HB3 SER 8 HB3 SER 8 -2.684 1.105 2.122 63 HG SER 8 HG SER 8 -4.787 0.740 2.498 64 H GLY 9 H GLY 9 -0.860 2.027 5.575 65 HA2 GLY 9 HA2 GLY 9 -2.744 2.905 7.666 66 HA3 GLY 9 HA3 GLY 9 -0.994 2.833 7.827 67 H THR 10 H THR 10 -1.661 4.054 4.829 68 HA THR 10 HA THR 10 -1.527 6.827 5.838 69 HB THR 10 HB THR 10 -0.415 7.382 3.664 70 HG1 THR 10 HG1 THR 10 -0.153 4.535 3.412 71 HG21 THR 10 HG21 THR 10 0.975 5.351 5.413 72 HG22 THR 10 HG22 THR 10 0.924 7.096 5.668 73 HG23 THR 10 HG23 THR 10 1.779 6.431 4.277 74 H TRP 11 H TRP 11 -3.173 4.555 3.918 75 HA TRP 11 HA TRP 11 -4.737 6.549 2.495 76 HB2 TRP 11 HB3 TRP 11 -3.924 4.264 1.585 77 HB3 TRP 11 HB2 TRP 11 -5.244 3.593 2.518 78 HD1 TRP 11 HD1 TRP 11 -7.740 4.040 1.582 79 HE1 TRP 11 HE1 TRP 11 -8.594 4.798 -0.720 80 HE3 TRP 11 HE3 TRP 11 -3.341 5.728 -0.393 81 HZ2 TRP 11 HZ2 TRP 11 -7.536 5.937 -3.073 82 HZ3 TRP 11 HZ3 TRP 11 -3.341 6.626 -2.679 83 HH2 TRP 11 HH2 TRP 11 -5.393 6.729 -3.998 84 H SER 12 H SER 12 -7.145 6.171 2.556 85 HA SER 12 HA SER 12 -8.247 5.215 5.037 86 HB2 SER 12 HB2 SER 12 -8.335 8.193 4.485 87 HB3 SER 12 HB3 SER 12 -9.078 7.358 5.848 88 HG SER 12 HG SER 12 -6.586 6.641 5.929 89 H GLY 13 H GLY 13 -10.506 5.093 5.011 90 HA2 GLY 13 HA2 GLY 13 -12.644 5.201 4.173 91 HA3 GLY 13 HA3 GLY 13 -12.090 6.433 3.052 92 H VAL 14 H VAL 14 -13.245 5.603 1.340 93 HA VAL 14 HA VAL 14 -12.952 2.868 0.523 94 HB VAL 14 HB VAL 14 -14.257 5.177 -0.924 95 HG11 VAL 14 HG21 VAL 14 -14.594 2.206 -1.218 96 HG12 VAL 14 HG22 VAL 14 -13.782 3.285 -2.352 97 HG13 VAL 14 HG23 VAL 14 -15.517 3.437 -2.078 98 HG21 VAL 14 HG13 VAL 14 -15.223 4.862 1.310 99 HG22 VAL 14 HG11 VAL 14 -15.523 3.167 0.933 100 HG23 VAL 14 HG12 VAL 14 -16.361 4.431 0.034 101 H CYS 15 H CYS 15 -11.721 2.109 -1.127 102 HA CYS 15 HA CYS 15 -9.918 4.012 -2.445 103 HB2 CYS 15 HB3 CYS 15 -8.682 2.329 -1.313 104 HB3 CYS 15 HB2 CYS 15 -9.716 1.048 -1.927 105 H GLY 16 H GLY 16 -9.648 3.960 -4.695 106 HA2 GLY 16 HA2 GLY 16 -11.437 2.258 -6.262 107 HA3 GLY 16 HA3 GLY 16 -11.669 3.998 -6.377 108 H ASN 17 H ASN 17 -8.576 2.421 -5.985 109 HA ASN 17 HA ASN 17 -7.783 2.680 -8.713 110 HB2 ASN 17 HB3 ASN 17 -6.090 4.498 -8.261 111 HB3 ASN 17 HB2 ASN 17 -7.763 5.035 -8.279 112 HD21 ASN 17 HD21 ASN 17 -8.743 5.667 -6.356 113 HD22 ASN 17 HD22 ASN 17 -7.816 6.042 -4.943 114 H ASN 18 H ASN 18 -6.105 1.354 -9.056 115 HA ASN 18 HA ASN 18 -4.978 0.025 -6.728 116 HB2 ASN 18 HB3 ASN 18 -4.980 -0.592 -9.668 117 HB3 ASN 18 HB2 ASN 18 -3.922 -1.453 -8.559 118 HD21 ASN 18 HD21 ASN 18 -7.223 -0.856 -9.488 119 HD22 ASN 18 HD22 ASN 18 -7.907 -2.202 -8.644 120 H GLY 19 H GLY 19 -3.974 2.207 -9.243 121 HA2 GLY 19 HA2 GLY 19 -1.176 1.677 -8.884 122 HA3 GLY 19 HA3 GLY 19 -1.873 2.900 -9.906 123 H ALA 20 H ALA 20 -3.262 4.472 -8.237 124 HA ALA 20 HA ALA 20 -1.293 6.012 -6.933 125 HB1 ALA 20 HB1 ALA 20 -3.422 6.950 -7.725 126 HB2 ALA 20 HB2 ALA 20 -3.136 7.317 -6.025 127 HB3 ALA 20 HB3 ALA 20 -4.278 6.050 -6.473 128 H CYS 21 H CYS 21 -3.572 3.598 -5.780 129 HA CYS 21 HA CYS 21 -2.901 3.623 -3.067 130 HB2 CYS 21 HB3 CYS 21 -4.806 2.362 -3.784 131 HB3 CYS 21 HB2 CYS 21 -3.833 1.402 -4.892 132 H ARG 22 H ARG 22 -1.488 1.804 -5.803 133 HA ARG 22 HA ARG 22 0.379 0.346 -4.272 134 HB2 ARG 22 HB3 ARG 22 -0.185 -0.227 -6.598 135 HB3 ARG 22 HB2 ARG 22 0.562 1.266 -7.152 136 HG2 ARG 22 HG3 ARG 22 2.728 0.463 -6.290 137 HG3 ARG 22 HG2 ARG 22 1.957 -1.058 -5.837 138 HD2 ARG 22 HD3 ARG 22 3.078 -1.331 -7.955 139 HD3 ARG 22 HD2 ARG 22 1.336 -1.407 -8.205 140 HE ARG 22 HE ARG 22 2.116 1.241 -8.609 141 HH11 ARG 22 HH11 ARG 22 2.665 -1.888 -10.069 142 HH12 ARG 22 HH12 ARG 22 2.947 -1.244 -11.654 143 HH21 ARG 22 HH22 ARG 22 2.502 2.099 -10.696 144 HH22 ARG 22 HH21 ARG 22 2.860 1.023 -12.010 145 H ASN 23 H ASN 23 0.660 3.343 -6.078 146 HA ASN 23 HA ASN 23 3.343 3.904 -5.715 147 HB2 ASN 23 HB3 ASN 23 1.874 5.076 -7.281 148 HB3 ASN 23 HB2 ASN 23 0.994 5.796 -5.947 149 HD21 ASN 23 HD21 ASN 23 1.414 7.854 -6.641 150 HD22 ASN 23 HD22 ASN 23 2.970 8.583 -6.499 151 H GLN 24 H GLN 24 0.596 4.959 -3.739 152 HA GLN 24 HA GLN 24 2.066 6.565 -1.967 153 HB2 GLN 24 HB2 GLN 24 -0.483 6.387 -2.251 154 HB3 GLN 24 HB3 GLN 24 -0.389 5.044 -1.127 155 HG2 GLN 24 HG3 GLN 24 0.558 6.457 0.568 156 HG3 GLN 24 HG2 GLN 24 0.628 7.814 -0.554 157 HE21 GLN 24 HE21 GLN 24 -1.371 5.869 1.473 158 HE22 GLN 24 HE22 GLN 24 -2.790 6.857 1.371 159 H CYS 25 H CYS 25 1.063 3.184 -1.731 160 HA CYS 25 HA CYS 25 2.251 2.537 0.702 161 HB2 CYS 25 HB3 CYS 25 1.918 0.831 -1.775 162 HB3 CYS 25 HB2 CYS 25 2.401 0.206 -0.206 163 H ILE 26 H ILE 26 3.710 2.626 -2.552 164 HA ILE 26 HA ILE 26 6.193 1.498 -2.008 165 HB ILE 26 HB ILE 26 5.850 3.900 -3.802 166 HG12 ILE 26 HG13 ILE 26 4.092 2.394 -4.447 167 HG13 ILE 26 HG12 ILE 26 5.380 2.285 -5.640 168 HG21 ILE 26 HG21 ILE 26 7.707 1.535 -3.935 169 HG22 ILE 26 HG22 ILE 26 8.134 3.165 -3.419 170 HG23 ILE 26 HG23 ILE 26 7.649 2.867 -5.088 171 HD11 ILE 26 HD11 ILE 26 4.440 0.119 -5.106 172 HD12 ILE 26 HD12 ILE 26 4.883 0.340 -3.412 173 HD13 ILE 26 HD13 ILE 26 6.139 0.213 -4.645 174 H ARG 27 H ARG 27 5.287 4.898 -1.965 175 HA ARG 27 HA ARG 27 7.891 5.713 -1.055 176 HB2 ARG 27 HB3 ARG 27 5.390 7.360 -1.374 177 HB3 ARG 27 HB2 ARG 27 7.030 7.973 -1.204 178 HG2 ARG 27 HG3 ARG 27 6.001 6.298 -3.469 179 HG3 ARG 27 HG2 ARG 27 6.257 8.038 -3.504 180 HD2 ARG 27 HD3 ARG 27 8.641 7.711 -3.113 181 HD3 ARG 27 HD2 ARG 27 8.396 5.966 -3.049 182 HE ARG 27 HE ARG 27 7.398 6.586 -5.455 183 HH11 ARG 27 HH11 ARG 27 10.414 7.450 -3.908 184 HH12 ARG 27 HH12 ARG 27 11.303 7.538 -5.395 185 HH21 ARG 27 HH22 ARG 27 8.557 6.697 -7.419 186 HH22 ARG 27 HH21 ARG 27 10.241 7.115 -7.397 187 H LEU 28 H LEU 28 4.619 6.186 0.261 188 HA LEU 28 HA LEU 28 5.677 7.338 2.648 189 HB2 LEU 28 HB3 LEU 28 2.873 6.493 1.946 190 HB3 LEU 28 HB2 LEU 28 3.308 7.357 3.407 191 HG LEU 28 HG LEU 28 3.596 8.388 0.583 192 HD11 LEU 28 HD11 LEU 28 1.757 9.212 2.825 193 HD12 LEU 28 HD12 LEU 28 1.289 8.324 1.376 194 HD13 LEU 28 HD13 LEU 28 1.875 9.982 1.241 195 HD21 LEU 28 HD21 LEU 28 4.218 10.511 1.666 196 HD22 LEU 28 HD22 LEU 28 5.395 9.234 1.962 197 HD23 LEU 28 HD23 LEU 28 4.251 9.688 3.225 198 H GLU 29 H GLU 29 4.455 4.118 1.853 199 HA GLU 29 HA GLU 29 4.842 3.411 4.676 200 HB2 GLU 29 HB2 GLU 29 3.154 2.025 2.589 201 HB3 GLU 29 HB3 GLU 29 3.362 1.476 4.245 202 HG2 GLU 29 HG2 GLU 29 2.512 3.744 4.968 203 HG3 GLU 29 HG3 GLU 29 2.041 3.989 3.291 204 H LYS 30 H LYS 30 6.482 3.328 1.948 205 HA LYS 30 HA LYS 30 8.348 2.265 1.231 206 HB2 LYS 30 HB3 LYS 30 8.408 1.151 4.032 207 HB3 LYS 30 HB2 LYS 30 9.753 1.165 2.898 208 HG2 LYS 30 HG3 LYS 30 9.636 3.649 2.886 209 HG3 LYS 30 HG2 LYS 30 8.411 3.551 4.151 210 HD2 LYS 30 HD3 LYS 30 10.521 3.950 5.197 211 HD3 LYS 30 HD2 LYS 30 10.054 2.284 5.534 212 HE2 LYS 30 HE3 LYS 30 12.429 2.477 4.945 213 HE3 LYS 30 HE2 LYS 30 11.539 1.483 3.793 214 HZ1 LYS 30 HZ1 LYS 30 12.263 4.336 3.396 215 HZ2 LYS 30 HZ2 LYS 30 11.454 3.356 2.282 216 HZ3 LYS 30 HZ3 LYS 30 13.058 3.020 2.693 217 H ALA 31 H ALA 31 5.846 0.966 0.775 218 HA ALA 31 HA ALA 31 6.351 -1.880 1.060 219 HB1 ALA 31 HB1 ALA 31 4.122 -0.556 -0.465 220 HB2 ALA 31 HB2 ALA 31 4.070 -0.820 1.276 221 HB3 ALA 31 HB3 ALA 31 4.168 -2.198 0.175 222 H ARG 32 H ARG 32 6.488 -3.311 -0.752 223 HA ARG 32 HA ARG 32 7.979 -2.165 -2.957 224 HB2 ARG 32 HB3 ARG 32 7.370 -5.014 -2.173 225 HB3 ARG 32 HB2 ARG 32 8.396 -4.542 -3.516 226 HG2 ARG 32 HG3 ARG 32 8.894 -3.837 -0.636 227 HG3 ARG 32 HG2 ARG 32 9.667 -5.156 -1.507 228 HD2 ARG 32 HD3 ARG 32 9.876 -2.213 -2.127 229 HD3 ARG 32 HD2 ARG 32 11.142 -3.234 -1.449 230 HE ARG 32 HE ARG 32 10.763 -4.506 -3.704 231 HH11 ARG 32 HH11 ARG 32 10.779 -1.036 -3.203 232 HH12 ARG 32 HH12 ARG 32 11.363 -0.686 -4.798 233 HH21 ARG 32 HH22 ARG 32 11.509 -4.045 -5.806 234 HH22 ARG 32 HH21 ARG 32 11.768 -2.397 -6.283 235 H HIS 33 H HIS 33 4.849 -3.391 -2.294 236 HA HIS 33 HA HIS 33 3.981 -2.745 -4.976 237 HB2 HIS 33 HB3 HIS 33 4.683 -5.111 -5.180 238 HB3 HIS 33 HB2 HIS 33 3.604 -5.546 -3.863 239 HD1 HIS 33 HD1 HIS 33 3.342 -3.971 -7.326 240 HD2 HIS 33 HD2 HIS 33 1.181 -6.396 -4.725 241 HE1 HIS 33 HE1 HIS 33 1.226 -4.558 -8.548 242 HE2 HIS 33 HE2 HIS 33 0.043 -6.196 -7.039 243 H GLY 34 H GLY 34 1.533 -2.869 -5.110 244 HA2 GLY 34 HA2 GLY 34 0.102 -3.101 -2.607 245 HA3 GLY 34 HA3 GLY 34 0.165 -1.474 -3.259 246 H SER 35 H SER 35 -2.243 -2.838 -2.897 247 HA SER 35 HA SER 35 -3.230 -2.835 -5.629 248 HB2 SER 35 HB2 SER 35 -3.647 -5.255 -3.853 249 HB3 SER 35 HB3 SER 35 -4.304 -5.022 -5.472 250 HG SER 35 HG SER 35 -1.727 -4.651 -5.690 251 H CYS 36 H CYS 36 -5.387 -2.306 -5.765 252 HA CYS 36 HA CYS 36 -6.668 -1.457 -3.287 253 HB2 CYS 36 HB3 CYS 36 -6.610 0.031 -5.306 254 HB3 CYS 36 HB2 CYS 36 -7.634 -1.133 -6.139 255 H ASN 37 H ASN 37 -7.035 -3.511 -2.455 256 HA ASN 37 HA ASN 37 -8.191 -5.632 -3.963 257 HB2 ASN 37 HB3 ASN 37 -7.980 -6.910 -1.975 258 HB3 ASN 37 HB2 ASN 37 -6.616 -5.797 -1.950 259 HD21 ASN 37 HD21 ASN 37 -7.767 -7.163 0.252 260 HD22 ASN 37 HD22 ASN 37 -8.270 -5.932 1.351 261 H TYR 38 H TYR 38 -10.190 -6.784 -3.232 262 HA TYR 38 HA TYR 38 -12.212 -4.862 -2.307 263 HB2 TYR 38 HB2 TYR 38 -12.699 -5.810 -4.532 264 HB3 TYR 38 HB3 TYR 38 -12.659 -7.431 -3.841 265 HD1 TYR 38 HD1 TYR 38 -14.302 -4.161 -3.103 266 HD2 TYR 38 HD2 TYR 38 -14.729 -8.381 -3.394 267 HE1 TYR 38 HE1 TYR 38 -16.679 -3.952 -2.529 268 HE2 TYR 38 HE2 TYR 38 -17.112 -8.184 -2.817 269 HH TYR 38 HH TYR 38 -18.645 -6.683 -1.781 270 H VAL 39 H VAL 39 -11.301 -5.333 -0.142 271 HA VAL 39 HA VAL 39 -12.196 -7.803 1.034 272 HB VAL 39 HB VAL 39 -10.302 -6.795 2.088 273 HG11 VAL 39 HG21 VAL 39 -10.567 -4.504 1.404 274 HG12 VAL 39 HG22 VAL 39 -10.391 -4.574 3.157 275 HG13 VAL 39 HG23 VAL 39 -11.981 -4.321 2.440 276 HG21 VAL 39 HG13 VAL 39 -11.080 -6.523 4.406 277 HG22 VAL 39 HG11 VAL 39 -11.812 -7.912 3.605 278 HG23 VAL 39 HG12 VAL 39 -12.741 -6.428 3.819 279 H PHE 40 H PHE 40 -14.279 -8.150 0.976 280 HA PHE 40 HA PHE 40 -16.335 -6.461 0.486 281 HB2 PHE 40 HB2 PHE 40 -16.421 -8.960 0.551 282 HB3 PHE 40 HB3 PHE 40 -16.511 -8.874 2.300 283 HD1 PHE 40 HD2 PHE 40 -18.285 -8.191 -0.835 284 HD2 PHE 40 HD1 PHE 40 -18.556 -8.317 3.409 285 HE1 PHE 40 HE2 PHE 40 -20.734 -8.036 -0.992 286 HE2 PHE 40 HE1 PHE 40 -21.007 -8.166 3.259 287 HZ PHE 40 HZ PHE 40 -22.098 -8.023 1.059 288 HA PRO 41 HA PRO 41 -18.107 -5.796 0.652 289 HB2 PRO 41 HB3 PRO 41 -19.873 -3.899 1.168 290 HB3 PRO 41 HB2 PRO 41 -19.923 -5.427 2.056 291 HG2 PRO 41 HG3 PRO 41 -18.982 -2.748 2.946 292 HG3 PRO 41 HG2 PRO 41 -19.754 -4.038 3.883 293 HD2 PRO 41 HD3 PRO 41 -16.962 -3.476 3.665 294 HD3 PRO 41 HD2 PRO 41 -17.727 -4.832 4.514 295 H ALA 42 H ALA 42 -15.568 -4.015 1.118 296 HA ALA 42 HA ALA 42 -16.223 -2.071 -0.967 297 HB1 ALA 42 HB1 ALA 42 -15.322 -0.195 0.280 298 HB2 ALA 42 HB2 ALA 42 -15.029 -1.239 1.671 299 HB3 ALA 42 HB3 ALA 42 -16.680 -0.919 1.141 300 H HIS 43 H HIS 43 -14.331 -0.969 -1.844 301 HA HIS 43 HA HIS 43 -12.022 -2.721 -1.930 302 HB2 HIS 43 HB3 HIS 43 -12.831 -0.275 -3.484 303 HB3 HIS 43 HB2 HIS 43 -11.188 -0.898 -3.569 304 HD1 HIS 43 HD1 HIS 43 -10.791 -3.000 -4.947 305 HD2 HIS 43 HD2 HIS 43 -14.800 -1.937 -4.666 306 HE1 HIS 43 HE1 HIS 43 -11.991 -4.439 -6.625 307 HE2 HIS 43 HE2 HIS 43 -14.385 -3.652 -6.556 308 H LYS 44 H LYS 44 -10.218 -2.436 -0.840 309 HA LYS 44 HA LYS 44 -9.759 0.168 0.454 310 HB2 LYS 44 HB3 LYS 44 -9.228 -2.626 1.440 311 HB3 LYS 44 HB2 LYS 44 -8.367 -1.245 2.100 312 HG2 LYS 44 HG3 LYS 44 -11.347 -1.610 2.106 313 HG3 LYS 44 HG2 LYS 44 -10.277 -1.892 3.478 314 HD2 LYS 44 HD3 LYS 44 -9.544 0.540 3.166 315 HD3 LYS 44 HD2 LYS 44 -10.960 0.704 2.126 316 HE2 LYS 44 HE3 LYS 44 -10.908 -0.061 5.037 317 HE3 LYS 44 HE2 LYS 44 -11.543 1.424 4.334 318 HZ1 LYS 44 HZ1 LYS 44 -13.235 0.111 3.206 319 HZ2 LYS 44 HZ2 LYS 44 -13.317 -0.102 4.880 320 HZ3 LYS 44 HZ3 LYS 44 -12.633 -1.304 3.909 321 H CYS 45 H CYS 45 -7.422 0.500 0.967 322 HA CYS 45 HA CYS 45 -5.809 -0.288 -1.345 323 HB2 CYS 45 HB3 CYS 45 -5.936 2.125 -0.811 324 HB3 CYS 45 HB2 CYS 45 -5.267 1.800 0.784 325 H ILE 46 H ILE 46 -4.536 -1.993 -1.095 326 HA ILE 46 HA ILE 46 -3.634 -2.641 1.628 327 HB ILE 46 HB ILE 46 -4.305 -4.533 -0.635 328 HG12 ILE 46 HG13 ILE 46 -6.263 -3.682 0.506 329 HG13 ILE 46 HG12 ILE 46 -6.009 -5.379 0.880 330 HG21 ILE 46 HG21 ILE 46 -2.345 -5.298 0.602 331 HG22 ILE 46 HG22 ILE 46 -3.747 -6.334 0.884 332 HG23 ILE 46 HG23 ILE 46 -3.251 -5.164 2.110 333 HD11 ILE 46 HD11 ILE 46 -6.686 -4.261 2.851 334 HD12 ILE 46 HD12 ILE 46 -5.444 -3.028 2.648 335 HD13 ILE 46 HD13 ILE 46 -4.985 -4.690 3.024 336 H CYS 47 H CYS 47 -1.552 -2.344 1.911 337 HA CYS 47 HA CYS 47 0.263 -2.151 -0.339 338 HB2 CYS 47 HB3 CYS 47 0.845 -1.929 2.625 339 HB3 CYS 47 HB2 CYS 47 1.899 -1.424 1.312 340 H TYR 48 H TYR 48 2.017 -3.523 -0.703 341 HA TYR 48 HA TYR 48 1.836 -6.122 0.665 342 HB2 TYR 48 HB2 TYR 48 2.740 -5.386 -2.111 343 HB3 TYR 48 HB3 TYR 48 3.066 -6.958 -1.397 344 HD1 TYR 48 HD2 TYR 48 0.038 -4.758 -1.514 345 HD2 TYR 48 HD1 TYR 48 1.728 -8.568 -2.322 346 HE1 TYR 48 HE2 TYR 48 -2.141 -5.538 -2.302 347 HE2 TYR 48 HE1 TYR 48 -0.452 -9.373 -3.103 348 HH TYR 48 HH TYR 48 -2.993 -7.343 -3.865 349 H PHE 49 H PHE 49 3.424 -6.644 1.963 350 HA PHE 49 HA PHE 49 6.050 -5.378 1.572 351 HB2 PHE 49 HB2 PHE 49 4.719 -6.283 4.134 352 HB3 PHE 49 HB3 PHE 49 6.373 -5.697 4.025 353 HD1 PHE 49 HD1 PHE 49 6.842 -3.361 3.607 354 HD2 PHE 49 HD2 PHE 49 2.838 -4.760 3.961 355 HE1 PHE 49 HE1 PHE 49 6.056 -1.048 3.876 356 HE2 PHE 49 HE2 PHE 49 2.049 -2.460 4.230 357 HZ PHE 49 HZ PHE 49 3.656 -0.590 4.187 358 HA PRO 50 HA PRO 50 7.760 -9.374 0.732 359 HB2 PRO 50 HB3 PRO 50 10.048 -8.353 2.336 360 HB3 PRO 50 HB2 PRO 50 10.031 -9.068 0.719 361 HG2 PRO 50 HG3 PRO 50 10.333 -6.443 1.029 362 HG3 PRO 50 HG2 PRO 50 9.342 -7.090 -0.290 363 HD2 PRO 50 HD3 PRO 50 8.485 -5.842 2.290 364 HD3 PRO 50 HD2 PRO 50 7.757 -5.718 0.675 365 H CYS 51 H CYS 51 7.067 -11.068 1.782 366 HA CYS 51 HA CYS 51 6.701 -10.989 4.639 367 HB2 CYS 51 HB3 CYS 51 5.153 -12.038 2.818 368 HB3 CYS 51 HB2 CYS 51 6.226 -13.426 2.959 Start of MODEL 9 1 HA PCA 1 HA PCA 1 8.650 -15.945 -1.505 2 HB2 PCA 1 HB2 PCA 1 10.528 -14.716 -1.742 3 HB3 PCA 1 HB3 PCA 1 9.844 -13.843 -3.120 4 HG2 PCA 1 HG2 PCA 1 11.123 -15.123 -4.510 5 H ARG 2 H ARG 2 6.424 -15.631 -1.429 6 HA ARG 2 HA ARG 2 5.207 -13.738 -3.265 7 HB2 ARG 2 HB3 ARG 2 4.131 -15.542 -1.124 8 HB3 ARG 2 HB2 ARG 2 3.124 -14.363 -1.941 9 HG2 ARG 2 HG3 ARG 2 4.727 -16.366 -3.466 10 HG3 ARG 2 HG2 ARG 2 3.143 -16.761 -2.804 11 HD2 ARG 2 HD3 ARG 2 3.560 -14.304 -4.442 12 HD3 ARG 2 HD2 ARG 2 3.291 -15.867 -5.219 13 HE ARG 2 HE ARG 2 1.304 -15.435 -3.271 14 HH11 ARG 2 HH11 ARG 2 2.277 -14.250 -6.420 15 HH12 ARG 2 HH12 ARG 2 0.669 -13.785 -6.874 16 HH21 ARG 2 HH22 ARG 2 -0.803 -14.821 -3.871 17 HH22 ARG 2 HH21 ARG 2 -1.080 -14.115 -5.436 18 H LEU 3 H LEU 3 3.355 -12.459 -1.951 19 HA LEU 3 HA LEU 3 4.905 -10.690 -0.192 20 HB2 LEU 3 HB3 LEU 3 2.511 -10.081 -1.926 21 HB3 LEU 3 HB2 LEU 3 3.388 -8.924 -0.946 22 HG LEU 3 HG LEU 3 4.642 -10.450 -3.222 23 HD11 LEU 3 HD11 LEU 3 2.834 -9.069 -4.081 24 HD12 LEU 3 HD12 LEU 3 4.406 -8.413 -4.540 25 HD13 LEU 3 HD13 LEU 3 3.487 -7.668 -3.231 26 HD21 LEU 3 HD21 LEU 3 6.331 -8.659 -3.078 27 HD22 LEU 3 HD22 LEU 3 6.238 -9.636 -1.616 28 HD23 LEU 3 HD23 LEU 3 5.509 -8.031 -1.651 29 H CYS 4 H CYS 4 4.026 -9.953 1.696 30 HA CYS 4 HA CYS 4 1.464 -11.143 2.505 31 HB2 CYS 4 HB3 CYS 4 3.838 -10.235 4.139 32 HB3 CYS 4 HB2 CYS 4 2.276 -10.631 4.851 33 H GLU 5 H GLU 5 -0.194 -9.840 2.979 34 HA GLU 5 HA GLU 5 0.130 -7.120 2.066 35 HB2 GLU 5 HB2 GLU 5 -2.499 -8.114 3.034 36 HB3 GLU 5 HB3 GLU 5 -2.118 -7.077 1.670 37 HG2 GLU 5 HG2 GLU 5 -2.854 -8.991 0.658 38 HG3 GLU 5 HG3 GLU 5 -1.104 -9.188 0.626 39 H LYS 6 H LYS 6 -0.395 -5.289 3.123 40 HA LYS 6 HA LYS 6 -1.132 -5.430 5.960 41 HB2 LYS 6 HB3 LYS 6 1.303 -5.042 5.813 42 HB3 LYS 6 HB2 LYS 6 1.015 -3.662 4.771 43 HG2 LYS 6 HG3 LYS 6 -0.226 -2.583 6.629 44 HG3 LYS 6 HG2 LYS 6 0.242 -3.935 7.664 45 HD2 LYS 6 HD3 LYS 6 2.612 -3.415 7.226 46 HD3 LYS 6 HD2 LYS 6 2.112 -2.032 6.254 47 HE2 LYS 6 HE3 LYS 6 2.726 -1.271 8.453 48 HE3 LYS 6 HE2 LYS 6 0.987 -1.084 8.237 49 HZ1 LYS 6 HZ1 LYS 6 2.334 -3.280 9.713 50 HZ2 LYS 6 HZ2 LYS 6 0.667 -3.137 9.492 51 HZ3 LYS 6 HZ3 LYS 6 1.500 -1.983 10.405 52 HA PRO 7 HA PRO 7 -4.220 -2.666 4.303 53 HB2 PRO 7 HB3 PRO 7 -4.630 -1.903 7.124 54 HB3 PRO 7 HB2 PRO 7 -5.781 -2.565 5.966 55 HG2 PRO 7 HG3 PRO 7 -4.822 -4.045 7.984 56 HG3 PRO 7 HG2 PRO 7 -5.161 -4.749 6.392 57 HD2 PRO 7 HD3 PRO 7 -2.539 -3.968 7.602 58 HD3 PRO 7 HD2 PRO 7 -2.940 -5.373 6.593 59 H SER 8 H SER 8 -4.098 -0.628 3.621 60 HA SER 8 HA SER 8 -1.785 0.855 3.877 61 HB2 SER 8 HB2 SER 8 -3.065 2.689 2.816 62 HB3 SER 8 HB3 SER 8 -3.375 1.136 2.037 63 HG SER 8 HG SER 8 -5.051 1.781 4.141 64 H GLY 9 H GLY 9 -0.986 2.161 5.367 65 HA2 GLY 9 HA2 GLY 9 -2.779 3.124 7.498 66 HA3 GLY 9 HA3 GLY 9 -1.024 3.042 7.586 67 H THR 10 H THR 10 -1.859 4.120 4.587 68 HA THR 10 HA THR 10 -1.588 6.932 5.425 69 HB THR 10 HB THR 10 -0.408 7.267 3.217 70 HG1 THR 10 HG1 THR 10 -0.098 4.419 3.295 71 HG21 THR 10 HG21 THR 10 1.745 6.411 4.025 72 HG22 THR 10 HG22 THR 10 0.905 5.402 5.200 73 HG23 THR 10 HG23 THR 10 0.823 7.159 5.329 74 H TRP 11 H TRP 11 -3.640 4.751 4.194 75 HA TRP 11 HA TRP 11 -5.065 6.752 2.575 76 HB2 TRP 11 HB3 TRP 11 -3.988 4.701 1.368 77 HB3 TRP 11 HB2 TRP 11 -5.309 3.800 2.074 78 HD1 TRP 11 HD1 TRP 11 -7.852 4.682 1.271 79 HE1 TRP 11 HE1 TRP 11 -8.597 5.627 -0.995 80 HE3 TRP 11 HE3 TRP 11 -3.273 5.902 -0.632 81 HZ2 TRP 11 HZ2 TRP 11 -7.399 6.710 -3.300 82 HZ3 TRP 11 HZ3 TRP 11 -3.159 6.875 -2.886 83 HH2 TRP 11 HH2 TRP 11 -5.180 7.269 -4.195 84 H SER 12 H SER 12 -7.445 6.078 2.433 85 HA SER 12 HA SER 12 -8.508 4.573 4.625 86 HB2 SER 12 HB2 SER 12 -7.821 6.760 5.690 87 HB3 SER 12 HB3 SER 12 -9.013 7.557 4.663 88 HG SER 12 HG SER 12 -10.369 7.080 6.185 89 H GLY 13 H GLY 13 -10.474 3.820 4.096 90 HA2 GLY 13 HA2 GLY 13 -12.642 3.884 3.205 91 HA3 GLY 13 HA3 GLY 13 -12.219 5.355 2.339 92 H VAL 14 H VAL 14 -13.393 4.171 0.587 93 HA VAL 14 HA VAL 14 -12.037 1.972 -0.647 94 HB VAL 14 HB VAL 14 -14.243 3.736 -1.710 95 HG11 VAL 14 HG21 VAL 14 -13.079 2.623 -3.494 96 HG12 VAL 14 HG22 VAL 14 -14.662 1.882 -3.266 97 HG13 VAL 14 HG23 VAL 14 -13.215 1.078 -2.658 98 HG21 VAL 14 HG13 VAL 14 -14.386 1.042 -0.364 99 HG22 VAL 14 HG11 VAL 14 -15.747 1.902 -1.085 100 HG23 VAL 14 HG12 VAL 14 -14.921 2.576 0.321 101 H CYS 15 H CYS 15 -10.326 2.164 -1.887 102 HA CYS 15 HA CYS 15 -9.518 4.776 -2.859 103 HB2 CYS 15 HB3 CYS 15 -7.451 3.431 -3.579 104 HB3 CYS 15 HB2 CYS 15 -7.742 3.621 -1.858 105 H GLY 16 H GLY 16 -9.449 5.384 -4.924 106 HA2 GLY 16 HA2 GLY 16 -11.142 3.983 -6.764 107 HA3 GLY 16 HA3 GLY 16 -10.306 5.502 -7.053 108 H ASN 17 H ASN 17 -7.702 4.499 -6.449 109 HA ASN 17 HA ASN 17 -7.282 2.915 -8.896 110 HB2 ASN 17 HB3 ASN 17 -5.705 5.251 -7.823 111 HB3 ASN 17 HB2 ASN 17 -5.187 4.260 -9.182 112 HD21 ASN 17 HD21 ASN 17 -7.378 6.670 -8.044 113 HD22 ASN 17 HD22 ASN 17 -7.977 7.150 -9.588 114 H ASN 18 H ASN 18 -6.326 1.047 -8.513 115 HA ASN 18 HA ASN 18 -5.231 0.335 -6.003 116 HB2 ASN 18 HB3 ASN 18 -4.586 -1.763 -7.071 117 HB3 ASN 18 HB2 ASN 18 -6.230 -1.330 -7.514 118 HD21 ASN 18 HD21 ASN 18 -4.267 -3.077 -8.817 119 HD22 ASN 18 HD22 ASN 18 -4.101 -2.478 -10.429 120 H GLY 19 H GLY 19 -3.854 1.542 -8.968 121 HA2 GLY 19 HA2 GLY 19 -1.143 1.062 -8.213 122 HA3 GLY 19 HA3 GLY 19 -1.686 2.066 -9.535 123 H ALA 20 H ALA 20 -3.316 3.831 -8.025 124 HA ALA 20 HA ALA 20 -1.427 5.666 -6.991 125 HB1 ALA 20 HB1 ALA 20 -3.319 6.974 -6.245 126 HB2 ALA 20 HB2 ALA 20 -4.390 5.582 -6.384 127 HB3 ALA 20 HB3 ALA 20 -3.694 6.304 -7.835 128 H CYS 21 H CYS 21 -3.578 3.310 -5.508 129 HA CYS 21 HA CYS 21 -2.858 3.649 -2.827 130 HB2 CYS 21 HB3 CYS 21 -4.727 2.245 -3.418 131 HB3 CYS 21 HB2 CYS 21 -3.703 1.198 -4.391 132 H ARG 22 H ARG 22 -1.433 1.613 -5.387 133 HA ARG 22 HA ARG 22 0.570 0.426 -3.833 134 HB2 ARG 22 HB3 ARG 22 0.069 -0.451 -6.012 135 HB3 ARG 22 HB2 ARG 22 0.479 1.076 -6.779 136 HG2 ARG 22 HG3 ARG 22 2.800 0.773 -6.319 137 HG3 ARG 22 HG2 ARG 22 2.469 -0.624 -5.292 138 HD2 ARG 22 HD3 ARG 22 1.795 -1.936 -7.138 139 HD3 ARG 22 HD2 ARG 22 1.745 -0.547 -8.208 140 HE ARG 22 HE ARG 22 4.329 -1.294 -7.056 141 HH11 ARG 22 HH11 ARG 22 2.194 -1.164 -9.827 142 HH12 ARG 22 HH12 ARG 22 3.448 -1.518 -10.973 143 HH21 ARG 22 HH22 ARG 22 5.988 -1.768 -8.567 144 HH22 ARG 22 HH21 ARG 22 5.605 -1.864 -10.258 145 H ASN 23 H ASN 23 0.699 3.335 -5.851 146 HA ASN 23 HA ASN 23 3.386 3.899 -5.508 147 HB2 ASN 23 HB3 ASN 23 0.967 5.466 -6.283 148 HB3 ASN 23 HB2 ASN 23 2.481 6.301 -6.035 149 HD21 ASN 23 HD21 ASN 23 0.993 6.040 -8.463 150 HD22 ASN 23 HD22 ASN 23 2.014 5.227 -9.598 151 H GLN 24 H GLN 24 0.613 4.797 -3.512 152 HA GLN 24 HA GLN 24 2.063 6.641 -1.894 153 HB2 GLN 24 HB2 GLN 24 -0.610 5.867 -2.094 154 HB3 GLN 24 HB3 GLN 24 -0.116 5.337 -0.494 155 HG2 GLN 24 HG3 GLN 24 0.768 7.646 -0.101 156 HG3 GLN 24 HG2 GLN 24 0.019 8.118 -1.622 157 HE21 GLN 24 HE21 GLN 24 -1.288 5.870 0.752 158 HE22 GLN 24 HE22 GLN 24 -2.659 6.832 1.156 159 H CYS 25 H CYS 25 1.185 3.227 -1.555 160 HA CYS 25 HA CYS 25 2.415 2.715 0.901 161 HB2 CYS 25 HB3 CYS 25 2.100 0.888 -1.492 162 HB3 CYS 25 HB2 CYS 25 2.527 0.362 0.128 163 H ILE 26 H ILE 26 3.757 2.723 -2.384 164 HA ILE 26 HA ILE 26 6.306 1.732 -1.907 165 HB ILE 26 HB ILE 26 5.765 4.089 -3.716 166 HG12 ILE 26 HG13 ILE 26 4.111 2.439 -4.291 167 HG13 ILE 26 HG12 ILE 26 5.370 2.420 -5.520 168 HG21 ILE 26 HG21 ILE 26 7.794 1.872 -3.846 169 HG22 ILE 26 HG22 ILE 26 8.101 3.547 -3.390 170 HG23 ILE 26 HG23 ILE 26 7.599 3.159 -5.033 171 HD11 ILE 26 HD11 ILE 26 6.331 0.437 -4.492 172 HD12 ILE 26 HD12 ILE 26 4.646 0.191 -4.954 173 HD13 ILE 26 HD13 ILE 26 5.067 0.469 -3.264 174 H ARG 27 H ARG 27 5.304 5.103 -1.981 175 HA ARG 27 HA ARG 27 7.834 6.128 -1.207 176 HB2 ARG 27 HB3 ARG 27 5.165 7.532 -1.048 177 HB3 ARG 27 HB2 ARG 27 6.751 8.280 -1.168 178 HG2 ARG 27 HG3 ARG 27 7.022 7.482 -3.410 179 HG3 ARG 27 HG2 ARG 27 5.535 6.537 -3.290 180 HD2 ARG 27 HD3 ARG 27 5.148 8.593 -4.533 181 HD3 ARG 27 HD2 ARG 27 4.247 8.593 -3.021 182 HE ARG 27 HE ARG 27 6.765 9.876 -2.711 183 HH11 ARG 27 HH11 ARG 27 3.543 10.346 -3.999 184 HH12 ARG 27 HH12 ARG 27 3.592 12.073 -3.844 185 HH21 ARG 27 HH22 ARG 27 6.841 12.142 -2.497 186 HH22 ARG 27 HH21 ARG 27 5.474 13.097 -2.980 187 H LEU 28 H LEU 28 4.722 6.109 0.521 188 HA LEU 28 HA LEU 28 5.986 7.293 2.822 189 HB2 LEU 28 HB3 LEU 28 3.150 6.355 2.418 190 HB3 LEU 28 HB2 LEU 28 3.722 7.318 3.768 191 HG LEU 28 HG LEU 28 3.684 8.196 0.878 192 HD11 LEU 28 HD11 LEU 28 1.972 9.021 3.217 193 HD12 LEU 28 HD12 LEU 28 1.451 8.056 1.836 194 HD13 LEU 28 HD13 LEU 28 1.933 9.736 1.605 195 HD21 LEU 28 HD21 LEU 28 5.536 9.197 2.084 196 HD22 LEU 28 HD22 LEU 28 4.452 9.679 3.387 197 HD23 LEU 28 HD23 LEU 28 4.281 10.398 1.787 198 H GLU 29 H GLU 29 4.563 4.136 2.052 199 HA GLU 29 HA GLU 29 5.095 3.326 4.807 200 HB2 GLU 29 HB2 GLU 29 3.363 2.001 2.718 201 HB3 GLU 29 HB3 GLU 29 3.544 1.465 4.381 202 HG2 GLU 29 HG2 GLU 29 2.810 3.858 5.001 203 HG3 GLU 29 HG3 GLU 29 2.224 3.932 3.344 204 H LYS 30 H LYS 30 6.632 3.264 2.003 205 HA LYS 30 HA LYS 30 8.451 2.202 1.183 206 HB2 LYS 30 HB3 LYS 30 8.628 1.119 3.990 207 HB3 LYS 30 HB2 LYS 30 9.909 1.036 2.788 208 HG2 LYS 30 HG3 LYS 30 9.952 3.497 2.698 209 HG3 LYS 30 HG2 LYS 30 8.725 3.543 3.964 210 HD2 LYS 30 HD3 LYS 30 10.914 3.883 4.929 211 HD3 LYS 30 HD2 LYS 30 10.264 2.331 5.460 212 HE2 LYS 30 HE3 LYS 30 11.622 1.173 3.824 213 HE3 LYS 30 HE2 LYS 30 12.212 2.707 3.188 214 HZ1 LYS 30 HZ1 LYS 30 13.818 1.687 4.667 215 HZ2 LYS 30 HZ2 LYS 30 12.693 1.669 5.929 216 HZ3 LYS 30 HZ3 LYS 30 13.258 3.144 5.321 217 H ALA 31 H ALA 31 5.948 0.947 0.785 218 HA ALA 31 HA ALA 31 6.417 -1.914 1.023 219 HB1 ALA 31 HB1 ALA 31 4.159 -0.875 1.365 220 HB2 ALA 31 HB2 ALA 31 4.198 -2.188 0.184 221 HB3 ALA 31 HB3 ALA 31 4.140 -0.514 -0.363 222 H ARG 32 H ARG 32 6.583 -3.317 -0.768 223 HA ARG 32 HA ARG 32 7.913 -2.158 -3.043 224 HB2 ARG 32 HB3 ARG 32 7.256 -5.020 -2.340 225 HB3 ARG 32 HB2 ARG 32 8.228 -4.521 -3.717 226 HG2 ARG 32 HG3 ARG 32 8.892 -3.991 -0.833 227 HG3 ARG 32 HG2 ARG 32 9.602 -5.249 -1.838 228 HD2 ARG 32 HD3 ARG 32 9.822 -2.270 -2.217 229 HD3 ARG 32 HD2 ARG 32 11.111 -3.379 -1.756 230 HE ARG 32 HE ARG 32 10.454 -4.393 -4.106 231 HH11 ARG 32 HH11 ARG 32 10.864 -1.038 -3.179 232 HH12 ARG 32 HH12 ARG 32 11.366 -0.535 -4.764 233 HH21 ARG 32 HH22 ARG 32 11.109 -3.723 -6.193 234 HH22 ARG 32 HH21 ARG 32 11.504 -2.054 -6.470 235 H HIS 33 H HIS 33 4.823 -3.668 -2.316 236 HA HIS 33 HA HIS 33 3.871 -2.694 -4.905 237 HB2 HIS 33 HB3 HIS 33 4.385 -5.150 -5.121 238 HB3 HIS 33 HB2 HIS 33 3.176 -5.463 -3.883 239 HD1 HIS 33 HD1 HIS 33 3.288 -3.609 -7.203 240 HD2 HIS 33 HD2 HIS 33 0.769 -6.065 -4.992 241 HE1 HIS 33 HE1 HIS 33 1.157 -3.741 -8.519 242 HE2 HIS 33 HE2 HIS 33 -0.302 -5.360 -7.243 243 H GLY 34 H GLY 34 1.442 -2.659 -4.966 244 HA2 GLY 34 HA2 GLY 34 0.009 -2.850 -2.479 245 HA3 GLY 34 HA3 GLY 34 0.246 -1.200 -3.026 246 H SER 35 H SER 35 -2.288 -2.537 -2.790 247 HA SER 35 HA SER 35 -3.375 -1.868 -5.324 248 HB2 SER 35 HB2 SER 35 -2.358 -4.148 -5.788 249 HB3 SER 35 HB3 SER 35 -3.521 -4.811 -4.644 250 HG SER 35 HG SER 35 -4.106 -4.803 -6.964 251 H CYS 36 H CYS 36 -5.680 -1.959 -5.322 252 HA CYS 36 HA CYS 36 -6.795 -1.736 -2.684 253 HB2 CYS 36 HB3 CYS 36 -7.882 -1.238 -5.455 254 HB3 CYS 36 HB2 CYS 36 -8.805 -1.010 -3.985 255 H ASN 37 H ASN 37 -6.647 -3.953 -2.082 256 HA ASN 37 HA ASN 37 -7.730 -6.082 -3.561 257 HB2 ASN 37 HB3 ASN 37 -7.180 -7.423 -1.759 258 HB3 ASN 37 HB2 ASN 37 -6.152 -6.029 -1.441 259 HD21 ASN 37 HD21 ASN 37 -7.963 -4.255 -0.390 260 HD22 ASN 37 HD22 ASN 37 -8.494 -4.868 1.131 261 H TYR 38 H TYR 38 -9.622 -7.418 -2.934 262 HA TYR 38 HA TYR 38 -11.885 -5.630 -2.444 263 HB2 TYR 38 HB2 TYR 38 -11.899 -6.927 -4.537 264 HB3 TYR 38 HB3 TYR 38 -11.852 -8.420 -3.605 265 HD1 TYR 38 HD2 TYR 38 -13.874 -5.288 -3.779 266 HD2 TYR 38 HD1 TYR 38 -13.864 -9.505 -3.277 267 HE1 TYR 38 HE2 TYR 38 -16.323 -5.272 -3.655 268 HE2 TYR 38 HE1 TYR 38 -16.317 -9.501 -3.147 269 HH TYR 38 HH TYR 38 -18.137 -8.045 -2.695 270 H VAL 39 H VAL 39 -11.551 -5.598 -0.140 271 HA VAL 39 HA VAL 39 -12.324 -7.988 1.309 272 HB VAL 39 HB VAL 39 -12.143 -5.137 2.324 273 HG11 VAL 39 HG21 VAL 39 -13.557 -6.578 3.695 274 HG12 VAL 39 HG22 VAL 39 -12.065 -6.170 4.540 275 HG13 VAL 39 HG23 VAL 39 -12.257 -7.762 3.806 276 HG21 VAL 39 HG13 VAL 39 -9.983 -5.947 1.490 277 HG22 VAL 39 HG11 VAL 39 -10.117 -7.362 2.534 278 HG23 VAL 39 HG12 VAL 39 -9.977 -5.752 3.243 279 H PHE 40 H PHE 40 -14.339 -8.638 0.987 280 HA PHE 40 HA PHE 40 -16.395 -7.289 -0.186 281 HB2 PHE 40 HB2 PHE 40 -16.339 -9.729 0.202 282 HB3 PHE 40 HB3 PHE 40 -16.657 -9.450 1.905 283 HD1 PHE 40 HD2 PHE 40 -18.092 -9.281 -1.471 284 HD2 PHE 40 HD1 PHE 40 -18.845 -9.001 2.706 285 HE1 PHE 40 HE2 PHE 40 -20.512 -9.377 -1.904 286 HE2 PHE 40 HE1 PHE 40 -21.265 -9.098 2.281 287 HZ PHE 40 HZ PHE 40 -22.101 -9.286 -0.026 288 HA PRO 41 HA PRO 41 -18.079 -6.710 -0.528 289 HB2 PRO 41 HB3 PRO 41 -20.066 -4.947 -0.688 290 HB3 PRO 41 HB2 PRO 41 -20.238 -6.418 0.277 291 HG2 PRO 41 HG3 PRO 41 -19.850 -3.617 1.163 292 HG3 PRO 41 HG2 PRO 41 -20.657 -4.957 1.992 293 HD2 PRO 41 HD3 PRO 41 -17.970 -4.007 2.359 294 HD3 PRO 41 HD2 PRO 41 -18.771 -5.361 3.180 295 H ALA 42 H ALA 42 -15.957 -4.640 0.449 296 HA ALA 42 HA ALA 42 -16.318 -2.690 -1.735 297 HB1 ALA 42 HB1 ALA 42 -15.295 -2.084 1.036 298 HB2 ALA 42 HB2 ALA 42 -16.896 -1.673 0.421 299 HB3 ALA 42 HB3 ALA 42 -15.461 -0.933 -0.289 300 H HIS 43 H HIS 43 -14.099 -1.317 -1.767 301 HA HIS 43 HA HIS 43 -11.897 -3.269 -1.828 302 HB2 HIS 43 HB3 HIS 43 -12.507 -0.939 -3.634 303 HB3 HIS 43 HB2 HIS 43 -10.875 -1.582 -3.499 304 HD1 HIS 43 HD1 HIS 43 -10.332 -3.643 -4.833 305 HD2 HIS 43 HD2 HIS 43 -14.408 -2.812 -4.739 306 HE1 HIS 43 HE1 HIS 43 -11.384 -5.227 -6.474 307 HE2 HIS 43 HE2 HIS 43 -13.861 -4.792 -6.312 308 H LYS 44 H LYS 44 -10.108 -2.830 -0.714 309 HA LYS 44 HA LYS 44 -9.877 -0.174 0.540 310 HB2 LYS 44 HB3 LYS 44 -9.447 -2.901 1.741 311 HB3 LYS 44 HB2 LYS 44 -8.710 -1.463 2.431 312 HG2 LYS 44 HG3 LYS 44 -11.655 -1.766 1.988 313 HG3 LYS 44 HG2 LYS 44 -10.850 -2.183 3.501 314 HD2 LYS 44 HD3 LYS 44 -9.955 0.204 3.477 315 HD3 LYS 44 HD2 LYS 44 -11.125 0.516 2.195 316 HE2 LYS 44 HE3 LYS 44 -11.743 -0.460 4.981 317 HE3 LYS 44 HE2 LYS 44 -12.017 1.167 4.366 318 HZ1 LYS 44 HZ1 LYS 44 -14.044 -0.145 4.367 319 HZ2 LYS 44 HZ2 LYS 44 -13.329 -1.301 3.363 320 HZ3 LYS 44 HZ3 LYS 44 -13.603 0.267 2.787 321 H CYS 45 H CYS 45 -7.803 0.605 0.858 322 HA CYS 45 HA CYS 45 -5.933 -0.208 -1.161 323 HB2 CYS 45 HB3 CYS 45 -6.218 2.161 -0.582 324 HB3 CYS 45 HB2 CYS 45 -5.685 1.839 1.062 325 H ILE 46 H ILE 46 -4.424 -1.713 -0.942 326 HA ILE 46 HA ILE 46 -3.595 -2.500 1.767 327 HB ILE 46 HB ILE 46 -4.371 -4.302 -0.528 328 HG12 ILE 46 HG13 ILE 46 -6.262 -3.570 0.743 329 HG13 ILE 46 HG12 ILE 46 -5.935 -5.251 1.126 330 HG21 ILE 46 HG21 ILE 46 -3.102 -5.073 2.085 331 HG22 ILE 46 HG22 ILE 46 -2.370 -5.213 0.485 332 HG23 ILE 46 HG23 ILE 46 -3.780 -6.192 0.902 333 HD11 ILE 46 HD11 ILE 46 -4.770 -4.476 3.187 334 HD12 ILE 46 HD12 ILE 46 -6.501 -4.155 3.136 335 HD13 ILE 46 HD13 ILE 46 -5.358 -2.851 2.827 336 H CYS 47 H CYS 47 -1.498 -2.267 2.014 337 HA CYS 47 HA CYS 47 0.268 -2.118 -0.285 338 HB2 CYS 47 HB3 CYS 47 1.013 -1.952 2.646 339 HB3 CYS 47 HB2 CYS 47 1.948 -1.380 1.271 340 H TYR 48 H TYR 48 1.874 -3.578 -0.750 341 HA TYR 48 HA TYR 48 1.700 -6.133 0.695 342 HB2 TYR 48 HB2 TYR 48 2.421 -5.507 -2.157 343 HB3 TYR 48 HB3 TYR 48 2.681 -7.086 -1.430 344 HD1 TYR 48 HD1 TYR 48 0.148 -4.655 -2.496 345 HD2 TYR 48 HD2 TYR 48 0.846 -8.582 -1.048 346 HE1 TYR 48 HE1 TYR 48 -2.155 -5.264 -3.072 347 HE2 TYR 48 HE2 TYR 48 -1.446 -9.213 -1.622 348 HH TYR 48 HH TYR 48 -3.636 -8.110 -1.968 349 H PHE 49 H PHE 49 3.354 -6.674 1.889 350 HA PHE 49 HA PHE 49 5.994 -5.573 1.217 351 HB2 PHE 49 HB2 PHE 49 4.915 -6.438 3.905 352 HB3 PHE 49 HB3 PHE 49 6.559 -5.894 3.610 353 HD1 PHE 49 HD1 PHE 49 3.029 -4.833 3.751 354 HD2 PHE 49 HD2 PHE 49 7.082 -3.594 3.348 355 HE1 PHE 49 HE1 PHE 49 2.350 -2.504 4.106 356 HE2 PHE 49 HE2 PHE 49 6.402 -1.261 3.709 357 HZ PHE 49 HZ PHE 49 4.030 -0.711 4.084 358 HA PRO 50 HA PRO 50 7.196 -9.641 0.084 359 HB2 PRO 50 HB3 PRO 50 9.878 -8.895 1.067 360 HB3 PRO 50 HB2 PRO 50 9.370 -9.416 -0.540 361 HG2 PRO 50 HG3 PRO 50 10.021 -6.870 -0.025 362 HG3 PRO 50 HG2 PRO 50 8.739 -7.293 -1.174 363 HD2 PRO 50 HD3 PRO 50 8.515 -6.273 1.625 364 HD3 PRO 50 HD2 PRO 50 7.505 -5.932 0.206 365 H CYS 51 H CYS 51 6.796 -11.408 1.223 366 HA CYS 51 HA CYS 51 7.774 -11.619 3.963 367 HB2 CYS 51 HB3 CYS 51 5.667 -12.932 2.407 368 HB3 CYS 51 HB2 CYS 51 6.602 -14.045 3.400 Start of MODEL 10 1 HA PCA 1 HA PCA 1 3.004 -17.802 -0.949 2 HB2 PCA 1 HB2 PCA 1 4.641 -19.348 -1.083 3 HB3 PCA 1 HB3 PCA 1 5.234 -18.569 -2.554 4 HG2 PCA 1 HG2 PCA 1 4.323 -20.219 -3.836 5 H ARG 2 H ARG 2 2.229 -15.673 -1.693 6 HA ARG 2 HA ARG 2 4.224 -14.397 -3.443 7 HB2 ARG 2 HB3 ARG 2 2.565 -12.864 -4.249 8 HB3 ARG 2 HB2 ARG 2 1.926 -14.491 -4.443 9 HG2 ARG 2 HG3 ARG 2 0.490 -14.233 -2.555 10 HG3 ARG 2 HG2 ARG 2 1.249 -12.699 -2.125 11 HD2 ARG 2 HD3 ARG 2 0.453 -11.749 -4.259 12 HD3 ARG 2 HD2 ARG 2 -0.374 -13.269 -4.599 13 HE ARG 2 HE ARG 2 -1.161 -12.238 -2.075 14 HH11 ARG 2 HH11 ARG 2 -1.607 -11.753 -5.512 15 HH12 ARG 2 HH12 ARG 2 -3.187 -11.053 -5.341 16 HH21 ARG 2 HH22 ARG 2 -3.222 -11.285 -1.831 17 HH22 ARG 2 HH21 ARG 2 -4.119 -10.817 -3.252 18 H LEU 3 H LEU 3 3.656 -11.816 -3.008 19 HA LEU 3 HA LEU 3 4.901 -11.083 -0.659 20 HB2 LEU 3 HB3 LEU 3 2.941 -9.618 -2.399 21 HB3 LEU 3 HB2 LEU 3 3.811 -8.847 -1.093 22 HG LEU 3 HG LEU 3 5.192 -10.208 -3.404 23 HD11 LEU 3 HD11 LEU 3 4.505 -7.294 -3.084 24 HD12 LEU 3 HD12 LEU 3 3.771 -8.402 -4.242 25 HD13 LEU 3 HD13 LEU 3 5.481 -7.997 -4.371 26 HD21 LEU 3 HD21 LEU 3 7.090 -8.851 -2.702 27 HD22 LEU 3 HD22 LEU 3 6.535 -9.882 -1.384 28 HD23 LEU 3 HD23 LEU 3 6.129 -8.165 -1.394 29 H CYS 4 H CYS 4 4.157 -10.147 1.282 30 HA CYS 4 HA CYS 4 1.595 -11.196 2.196 31 HB2 CYS 4 HB3 CYS 4 3.973 -10.023 3.639 32 HB3 CYS 4 HB2 CYS 4 2.458 -10.390 4.455 33 H GLU 5 H GLU 5 -0.146 -9.963 2.249 34 HA GLU 5 HA GLU 5 0.089 -7.167 1.606 35 HB2 GLU 5 HB2 GLU 5 -2.453 -8.649 2.251 36 HB3 GLU 5 HB3 GLU 5 -2.263 -7.179 1.309 37 HG2 GLU 5 HG2 GLU 5 -2.551 -8.635 -0.385 38 HG3 GLU 5 HG3 GLU 5 -0.805 -8.774 -0.207 39 H LYS 6 H LYS 6 -0.277 -5.478 2.873 40 HA LYS 6 HA LYS 6 -1.112 -5.916 5.663 41 HB2 LYS 6 HB3 LYS 6 1.443 -5.533 5.154 42 HB3 LYS 6 HB2 LYS 6 0.949 -3.867 4.933 43 HG2 LYS 6 HG3 LYS 6 0.356 -5.405 7.441 44 HG3 LYS 6 HG2 LYS 6 1.843 -4.495 7.202 45 HD2 LYS 6 HD3 LYS 6 0.414 -2.480 6.740 46 HD3 LYS 6 HD2 LYS 6 -0.974 -3.435 7.264 47 HE2 LYS 6 HE3 LYS 6 1.468 -2.806 8.919 48 HE3 LYS 6 HE2 LYS 6 -0.102 -2.025 9.069 49 HZ1 LYS 6 HZ1 LYS 6 0.268 -3.769 10.733 50 HZ2 LYS 6 HZ2 LYS 6 0.390 -4.922 9.502 51 HZ3 LYS 6 HZ3 LYS 6 -1.068 -4.101 9.751 52 HA PRO 7 HA PRO 7 -4.150 -2.869 4.358 53 HB2 PRO 7 HB3 PRO 7 -4.746 -2.059 6.966 54 HB3 PRO 7 HB2 PRO 7 -5.557 -3.348 6.073 55 HG2 PRO 7 HG3 PRO 7 -3.391 -3.524 8.113 56 HG3 PRO 7 HG2 PRO 7 -4.758 -4.615 7.824 57 HD2 PRO 7 HD3 PRO 7 -2.276 -5.251 7.048 58 HD3 PRO 7 HD2 PRO 7 -3.690 -5.687 6.064 59 H SER 8 H SER 8 -3.710 -0.894 3.657 60 HA SER 8 HA SER 8 -1.405 0.518 4.278 61 HB2 SER 8 HB2 SER 8 -2.612 0.910 2.204 62 HB3 SER 8 HB3 SER 8 -3.998 1.539 3.095 63 HG SER 8 HG SER 8 -1.383 2.671 3.080 64 H GLY 9 H GLY 9 -0.924 2.236 5.541 65 HA2 GLY 9 HA2 GLY 9 -2.944 2.954 7.575 66 HA3 GLY 9 HA3 GLY 9 -1.213 2.905 7.886 67 H THR 10 H THR 10 -1.940 4.065 4.811 68 HA THR 10 HA THR 10 -1.642 6.843 5.758 69 HB THR 10 HB THR 10 -0.532 7.248 3.499 70 HG1 THR 10 HG1 THR 10 -0.144 4.412 3.586 71 HG21 THR 10 HG21 THR 10 1.663 6.449 4.284 72 HG22 THR 10 HG22 THR 10 0.855 5.464 5.504 73 HG23 THR 10 HG23 THR 10 0.739 7.223 5.572 74 H TRP 11 H TRP 11 -3.364 4.590 3.882 75 HA TRP 11 HA TRP 11 -4.925 6.667 2.541 76 HB2 TRP 11 HB3 TRP 11 -4.032 4.470 1.457 77 HB3 TRP 11 HB2 TRP 11 -5.372 3.707 2.283 78 HD1 TRP 11 HD1 TRP 11 -7.895 4.633 1.491 79 HE1 TRP 11 HE1 TRP 11 -8.677 5.474 -0.800 80 HE3 TRP 11 HE3 TRP 11 -3.336 5.555 -0.616 81 HZ2 TRP 11 HZ2 TRP 11 -7.510 6.385 -3.198 82 HZ3 TRP 11 HZ3 TRP 11 -3.256 6.398 -2.925 83 HH2 TRP 11 HH2 TRP 11 -5.303 6.802 -4.192 84 H SER 12 H SER 12 -7.349 6.113 2.530 85 HA SER 12 HA SER 12 -8.379 4.872 4.913 86 HB2 SER 12 HB2 SER 12 -9.569 7.020 5.615 87 HB3 SER 12 HB3 SER 12 -7.840 6.943 5.949 88 HG SER 12 HG SER 12 -9.118 8.281 3.788 89 H GLY 13 H GLY 13 -10.301 4.002 4.466 90 HA2 GLY 13 HA2 GLY 13 -12.373 3.689 3.514 91 HA3 GLY 13 HA3 GLY 13 -12.256 5.302 2.834 92 H VAL 14 H VAL 14 -13.047 4.733 0.832 93 HA VAL 14 HA VAL 14 -12.041 2.526 -0.658 94 HB VAL 14 HB VAL 14 -13.675 4.901 -1.575 95 HG11 VAL 14 HG21 VAL 14 -13.249 2.197 -2.822 96 HG12 VAL 14 HG22 VAL 14 -12.641 3.739 -3.425 97 HG13 VAL 14 HG23 VAL 14 -14.375 3.424 -3.398 98 HG21 VAL 14 HG13 VAL 14 -15.614 3.431 -1.290 99 HG22 VAL 14 HG11 VAL 14 -14.777 3.703 0.237 100 HG23 VAL 14 HG12 VAL 14 -14.566 2.181 -0.625 101 H CYS 15 H CYS 15 -10.619 2.537 -2.372 102 HA CYS 15 HA CYS 15 -8.785 4.814 -2.403 103 HB2 CYS 15 HB3 CYS 15 -7.163 3.324 -3.301 104 HB3 CYS 15 HB2 CYS 15 -8.000 2.433 -2.033 105 H GLY 16 H GLY 16 -7.750 5.296 -4.591 106 HA2 GLY 16 HA2 GLY 16 -9.798 5.815 -6.538 107 HA3 GLY 16 HA3 GLY 16 -8.090 6.207 -6.693 108 H ASN 17 H ASN 17 -6.695 4.096 -6.791 109 HA ASN 17 HA ASN 17 -7.930 1.942 -8.255 110 HB2 ASN 17 HB3 ASN 17 -6.606 2.182 -10.276 111 HB3 ASN 17 HB2 ASN 17 -7.529 3.654 -10.007 112 HD21 ASN 17 HD21 ASN 17 -6.502 5.538 -9.523 113 HD22 ASN 17 HD22 ASN 17 -4.792 5.735 -9.688 114 H ASN 18 H ASN 18 -6.208 0.302 -8.908 115 HA ASN 18 HA ASN 18 -4.929 -0.569 -6.611 116 HB2 ASN 18 HB3 ASN 18 -4.413 -1.295 -9.496 117 HB3 ASN 18 HB2 ASN 18 -3.680 -2.140 -8.139 118 HD21 ASN 18 HD21 ASN 18 -5.490 -3.124 -10.194 119 HD22 ASN 18 HD22 ASN 18 -6.863 -3.761 -9.358 120 H GLY 19 H GLY 19 -3.452 1.019 -9.440 121 HA2 GLY 19 HA2 GLY 19 -0.818 0.857 -8.404 122 HA3 GLY 19 HA3 GLY 19 -1.332 1.848 -9.742 123 H ALA 20 H ALA 20 -3.257 3.389 -8.318 124 HA ALA 20 HA ALA 20 -1.652 5.417 -7.178 125 HB1 ALA 20 HB1 ALA 20 -3.808 5.969 -8.087 126 HB2 ALA 20 HB2 ALA 20 -3.834 6.345 -6.363 127 HB3 ALA 20 HB3 ALA 20 -4.622 4.882 -6.964 128 H CYS 21 H CYS 21 -3.466 2.740 -5.806 129 HA CYS 21 HA CYS 21 -2.918 3.310 -3.079 130 HB2 CYS 21 HB3 CYS 21 -4.706 1.796 -3.630 131 HB3 CYS 21 HB2 CYS 21 -3.615 0.753 -4.535 132 H ARG 22 H ARG 22 -1.379 1.268 -5.536 133 HA ARG 22 HA ARG 22 0.607 0.095 -3.960 134 HB2 ARG 22 HB3 ARG 22 0.066 -0.606 -6.248 135 HB3 ARG 22 HB2 ARG 22 0.674 0.919 -6.871 136 HG2 ARG 22 HG3 ARG 22 2.921 0.305 -6.000 137 HG3 ARG 22 HG2 ARG 22 2.267 -1.281 -5.575 138 HD2 ARG 22 HD3 ARG 22 3.371 -1.397 -7.729 139 HD3 ARG 22 HD2 ARG 22 1.634 -1.622 -7.928 140 HE ARG 22 HE ARG 22 2.948 0.973 -8.429 141 HH11 ARG 22 HH11 ARG 22 0.778 -1.596 -9.402 142 HH12 ARG 22 HH12 ARG 22 0.245 -0.772 -10.830 143 HH21 ARG 22 HH22 ARG 22 2.230 2.060 -10.313 144 HH22 ARG 22 HH21 ARG 22 1.071 1.291 -11.353 145 H ASN 23 H ASN 23 0.729 2.952 -5.986 146 HA ASN 23 HA ASN 23 3.335 3.757 -5.671 147 HB2 ASN 23 HB3 ASN 23 1.801 4.711 -7.291 148 HB3 ASN 23 HB2 ASN 23 0.806 5.380 -6.016 149 HD21 ASN 23 HD21 ASN 23 0.929 7.446 -6.600 150 HD22 ASN 23 HD22 ASN 23 2.378 8.383 -6.571 151 H GLN 24 H GLN 24 0.543 4.728 -3.725 152 HA GLN 24 HA GLN 24 1.916 6.528 -2.054 153 HB2 GLN 24 HB2 GLN 24 -0.617 6.206 -2.311 154 HB3 GLN 24 HB3 GLN 24 -0.448 4.902 -1.149 155 HG2 GLN 24 HG3 GLN 24 0.439 6.429 0.495 156 HG3 GLN 24 HG2 GLN 24 0.380 7.752 -0.667 157 HE21 GLN 24 HE21 GLN 24 -1.432 5.703 1.443 158 HE22 GLN 24 HE22 GLN 24 -2.917 6.582 1.349 159 H CYS 25 H CYS 25 1.026 3.142 -1.572 160 HA CYS 25 HA CYS 25 2.256 2.671 0.878 161 HB2 CYS 25 HB3 CYS 25 1.973 0.816 -1.499 162 HB3 CYS 25 HB2 CYS 25 2.402 0.304 0.128 163 H ILE 26 H ILE 26 3.693 2.610 -2.389 164 HA ILE 26 HA ILE 26 6.212 1.604 -1.762 165 HB ILE 26 HB ILE 26 5.830 3.870 -3.711 166 HG12 ILE 26 HG13 ILE 26 4.082 2.304 -4.256 167 HG13 ILE 26 HG12 ILE 26 5.366 2.158 -5.451 168 HG21 ILE 26 HG21 ILE 26 8.112 3.194 -3.298 169 HG22 ILE 26 HG22 ILE 26 7.631 2.733 -4.930 170 HG23 ILE 26 HG23 ILE 26 7.706 1.517 -3.657 171 HD11 ILE 26 HD11 ILE 26 4.480 0.006 -4.803 172 HD12 ILE 26 HD12 ILE 26 4.910 0.325 -3.124 173 HD13 ILE 26 HD13 ILE 26 6.174 0.161 -4.343 174 H ARG 27 H ARG 27 5.232 4.978 -2.041 175 HA ARG 27 HA ARG 27 7.773 5.969 -1.203 176 HB2 ARG 27 HB3 ARG 27 5.151 7.452 -1.440 177 HB3 ARG 27 HB2 ARG 27 6.760 8.164 -1.409 178 HG2 ARG 27 HG3 ARG 27 7.304 7.168 -3.522 179 HG3 ARG 27 HG2 ARG 27 5.781 6.271 -3.517 180 HD2 ARG 27 HD3 ARG 27 5.895 9.273 -3.442 181 HD3 ARG 27 HD2 ARG 27 5.864 8.364 -4.953 182 HE ARG 27 HE ARG 27 3.716 7.389 -4.069 183 HH11 ARG 27 HH11 ARG 27 4.815 10.587 -3.137 184 HH12 ARG 27 HH12 ARG 27 3.215 11.187 -2.846 185 HH21 ARG 27 HH22 ARG 27 1.599 8.198 -3.706 186 HH22 ARG 27 HH21 ARG 27 1.392 9.834 -3.168 187 H LEU 28 H LEU 28 4.549 6.041 0.283 188 HA LEU 28 HA LEU 28 5.603 7.448 2.571 189 HB2 LEU 28 HB3 LEU 28 2.821 6.433 2.021 190 HB3 LEU 28 HB2 LEU 28 3.274 7.471 3.359 191 HG LEU 28 HG LEU 28 3.362 8.181 0.426 192 HD11 LEU 28 HD11 LEU 28 1.122 8.178 1.369 193 HD12 LEU 28 HD12 LEU 28 1.659 9.823 1.039 194 HD13 LEU 28 HD13 LEU 28 1.662 9.210 2.693 195 HD21 LEU 28 HD21 LEU 28 4.195 9.780 2.841 196 HD22 LEU 28 HD22 LEU 28 3.996 10.432 1.215 197 HD23 LEU 28 HD23 LEU 28 5.236 9.217 1.531 198 H GLU 29 H GLU 29 4.595 4.143 1.895 199 HA GLU 29 HA GLU 29 5.044 3.545 4.740 200 HB2 GLU 29 HB2 GLU 29 3.334 2.071 2.734 201 HB3 GLU 29 HB3 GLU 29 3.634 1.529 4.376 202 HG2 GLU 29 HG2 GLU 29 2.745 3.791 5.121 203 HG3 GLU 29 HG3 GLU 29 2.154 3.960 3.470 204 H LYS 30 H LYS 30 6.638 3.512 2.031 205 HA LYS 30 HA LYS 30 8.474 2.466 1.207 206 HB2 LYS 30 HB3 LYS 30 8.683 1.472 4.055 207 HB3 LYS 30 HB2 LYS 30 9.972 1.394 2.861 208 HG2 LYS 30 HG3 LYS 30 9.949 3.853 2.715 209 HG3 LYS 30 HG2 LYS 30 8.711 3.895 3.970 210 HD2 LYS 30 HD3 LYS 30 10.256 2.785 5.518 211 HD3 LYS 30 HD2 LYS 30 11.494 2.763 4.262 212 HE2 LYS 30 HE3 LYS 30 11.924 4.609 5.740 213 HE3 LYS 30 HE2 LYS 30 11.390 5.239 4.183 214 HZ1 LYS 30 HZ1 LYS 30 10.315 6.410 5.972 215 HZ2 LYS 30 HZ2 LYS 30 9.726 4.968 6.623 216 HZ3 LYS 30 HZ3 LYS 30 9.163 5.509 5.127 217 H ALA 31 H ALA 31 5.992 1.116 0.890 218 HA ALA 31 HA ALA 31 6.526 -1.715 1.196 219 HB1 ALA 31 HB1 ALA 31 4.350 -2.035 0.185 220 HB2 ALA 31 HB2 ALA 31 4.281 -0.336 -0.277 221 HB3 ALA 31 HB3 ALA 31 4.235 -0.788 1.428 222 H ARG 32 H ARG 32 6.711 -3.169 -0.589 223 HA ARG 32 HA ARG 32 8.220 -2.033 -2.780 224 HB2 ARG 32 HB3 ARG 32 7.561 -4.911 -2.148 225 HB3 ARG 32 HB2 ARG 32 8.751 -4.345 -3.306 226 HG2 ARG 32 HG3 ARG 32 8.837 -3.971 -0.326 227 HG3 ARG 32 HG2 ARG 32 9.835 -5.065 -1.276 228 HD2 ARG 32 HD3 ARG 32 9.836 -2.055 -1.398 229 HD3 ARG 32 HD2 ARG 32 11.090 -3.076 -0.702 230 HE ARG 32 HE ARG 32 10.903 -3.912 -3.291 231 HH11 ARG 32 HH11 ARG 32 11.469 -0.842 -1.716 232 HH12 ARG 32 HH12 ARG 32 12.426 -0.205 -3.015 233 HH21 ARG 32 HH22 ARG 32 12.158 -3.079 -5.007 234 HH22 ARG 32 HH21 ARG 32 12.816 -1.477 -4.891 235 H HIS 33 H HIS 33 5.116 -3.431 -2.167 236 HA HIS 33 HA HIS 33 4.247 -2.709 -4.844 237 HB2 HIS 33 HB3 HIS 33 4.994 -5.065 -5.048 238 HB3 HIS 33 HB2 HIS 33 3.903 -5.521 -3.749 239 HD1 HIS 33 HD1 HIS 33 3.725 -4.036 -7.247 240 HD2 HIS 33 HD2 HIS 33 1.454 -6.327 -4.625 241 HE1 HIS 33 HE1 HIS 33 1.659 -4.667 -8.520 242 HE2 HIS 33 HE2 HIS 33 0.345 -6.140 -6.955 243 H GLY 34 H GLY 34 1.771 -3.002 -4.967 244 HA2 GLY 34 HA2 GLY 34 0.294 -3.398 -2.574 245 HA3 GLY 34 HA3 GLY 34 0.428 -1.688 -2.942 246 H SER 35 H SER 35 -2.006 -3.136 -2.896 247 HA SER 35 HA SER 35 -3.014 -2.514 -5.504 248 HB2 SER 35 HB2 SER 35 -2.997 -5.412 -4.605 249 HB3 SER 35 HB3 SER 35 -3.887 -4.788 -5.992 250 HG SER 35 HG SER 35 -1.384 -3.984 -6.253 251 H CYS 36 H CYS 36 -5.105 -1.913 -5.312 252 HA CYS 36 HA CYS 36 -6.427 -1.933 -2.838 253 HB2 CYS 36 HB3 CYS 36 -7.354 -1.402 -5.654 254 HB3 CYS 36 HB2 CYS 36 -8.380 -1.226 -4.249 255 H ASN 37 H ASN 37 -8.015 -3.226 -2.075 256 HA ASN 37 HA ASN 37 -8.421 -5.760 -3.530 257 HB2 ASN 37 HB3 ASN 37 -8.467 -6.865 -1.363 258 HB3 ASN 37 HB2 ASN 37 -6.985 -5.922 -1.499 259 HD21 ASN 37 HD21 ASN 37 -8.170 -6.822 0.884 260 HD22 ASN 37 HD22 ASN 37 -8.521 -5.404 1.799 261 H TYR 38 H TYR 38 -10.457 -6.916 -2.772 262 HA TYR 38 HA TYR 38 -12.556 -4.928 -2.275 263 HB2 TYR 38 HB2 TYR 38 -12.782 -6.138 -4.416 264 HB3 TYR 38 HB3 TYR 38 -12.833 -7.664 -3.541 265 HD1 TYR 38 HD2 TYR 38 -14.551 -4.696 -2.208 266 HD2 TYR 38 HD1 TYR 38 -14.981 -8.252 -4.504 267 HE1 TYR 38 HE2 TYR 38 -16.993 -4.520 -2.015 268 HE2 TYR 38 HE1 TYR 38 -17.422 -8.079 -4.320 269 HH TYR 38 HH TYR 38 -19.084 -7.053 -2.801 270 H VAL 39 H VAL 39 -11.455 -5.376 -0.005 271 HA VAL 39 HA VAL 39 -12.746 -7.501 1.410 272 HB VAL 39 HB VAL 39 -10.755 -6.640 2.409 273 HG11 VAL 39 HG21 VAL 39 -10.526 -4.323 3.184 274 HG12 VAL 39 HG22 VAL 39 -12.074 -3.933 2.434 275 HG13 VAL 39 HG23 VAL 39 -10.710 -4.428 1.433 276 HG21 VAL 39 HG13 VAL 39 -13.126 -5.697 4.016 277 HG22 VAL 39 HG11 VAL 39 -11.511 -6.009 4.652 278 HG23 VAL 39 HG12 VAL 39 -12.470 -7.334 3.990 279 H PHE 40 H PHE 40 -14.858 -7.486 0.995 280 HA PHE 40 HA PHE 40 -16.579 -5.423 0.528 281 HB2 PHE 40 HB2 PHE 40 -17.114 -7.810 0.237 282 HB3 PHE 40 HB3 PHE 40 -17.191 -8.004 1.980 283 HD1 PHE 40 HD1 PHE 40 -18.817 -6.394 -0.915 284 HD2 PHE 40 HD2 PHE 40 -19.153 -7.508 3.172 285 HE1 PHE 40 HE1 PHE 40 -21.221 -5.873 -0.975 286 HE2 PHE 40 HE2 PHE 40 -21.557 -6.988 3.125 287 HZ PHE 40 HZ PHE 40 -22.594 -6.171 1.048 288 HA PRO 41 HA PRO 41 -18.287 -4.542 0.693 289 HB2 PRO 41 HB3 PRO 41 -19.801 -2.483 1.326 290 HB3 PRO 41 HB2 PRO 41 -20.089 -4.053 2.088 291 HG2 PRO 41 HG3 PRO 41 -18.783 -1.615 3.205 292 HG3 PRO 41 HG2 PRO 41 -19.808 -2.811 4.016 293 HD2 PRO 41 HD3 PRO 41 -16.962 -2.722 3.970 294 HD3 PRO 41 HD2 PRO 41 -17.986 -4.008 4.640 295 H ALA 42 H ALA 42 -15.536 -3.286 1.321 296 HA ALA 42 HA ALA 42 -15.870 -0.974 -0.461 297 HB1 ALA 42 HB1 ALA 42 -14.439 0.415 0.926 298 HB2 ALA 42 HB2 ALA 42 -14.297 -0.887 2.107 299 HB3 ALA 42 HB3 ALA 42 -15.857 -0.115 1.828 300 H HIS 43 H HIS 43 -14.095 -0.423 -1.719 301 HA HIS 43 HA HIS 43 -11.989 -2.425 -1.922 302 HB2 HIS 43 HB3 HIS 43 -12.954 -0.202 -3.663 303 HB3 HIS 43 HB2 HIS 43 -11.272 -0.696 -3.813 304 HD1 HIS 43 HD1 HIS 43 -10.792 -2.821 -5.074 305 HD2 HIS 43 HD2 HIS 43 -14.842 -2.243 -4.348 306 HE1 HIS 43 HE1 HIS 43 -11.968 -4.612 -6.380 307 HE2 HIS 43 HE2 HIS 43 -14.423 -4.107 -6.097 308 H LYS 44 H LYS 44 -10.753 -2.114 -0.135 309 HA LYS 44 HA LYS 44 -9.821 0.513 0.598 310 HB2 LYS 44 HB3 LYS 44 -9.067 -2.209 1.668 311 HB3 LYS 44 HB2 LYS 44 -8.681 -0.667 2.415 312 HG2 LYS 44 HG3 LYS 44 -11.447 -1.758 1.979 313 HG3 LYS 44 HG2 LYS 44 -10.557 -1.788 3.490 314 HD2 LYS 44 HD3 LYS 44 -11.319 0.720 2.008 315 HD3 LYS 44 HD2 LYS 44 -12.224 0.042 3.362 316 HE2 LYS 44 HE3 LYS 44 -9.344 0.931 3.470 317 HE3 LYS 44 HE2 LYS 44 -10.717 1.879 4.032 318 HZ1 LYS 44 HZ1 LYS 44 -11.214 0.080 5.612 319 HZ2 LYS 44 HZ2 LYS 44 -9.694 0.767 5.876 320 HZ3 LYS 44 HZ3 LYS 44 -9.818 -0.735 5.115 321 H CYS 45 H CYS 45 -7.435 0.635 1.175 322 HA CYS 45 HA CYS 45 -5.892 -0.173 -1.184 323 HB2 CYS 45 HB3 CYS 45 -5.900 2.228 -0.690 324 HB3 CYS 45 HB2 CYS 45 -5.325 1.914 0.941 325 H ILE 46 H ILE 46 -4.658 -1.913 -0.963 326 HA ILE 46 HA ILE 46 -3.710 -2.612 1.730 327 HB ILE 46 HB ILE 46 -4.548 -4.436 -0.529 328 HG12 ILE 46 HG13 ILE 46 -6.401 -3.627 0.751 329 HG13 ILE 46 HG12 ILE 46 -6.122 -5.323 1.117 330 HG21 ILE 46 HG21 ILE 46 -3.265 -5.190 2.083 331 HG22 ILE 46 HG22 ILE 46 -2.526 -5.322 0.485 332 HG23 ILE 46 HG23 ILE 46 -3.931 -6.308 0.893 333 HD11 ILE 46 HD11 ILE 46 -5.388 -2.973 2.829 334 HD12 ILE 46 HD12 ILE 46 -4.977 -4.653 3.184 335 HD13 ILE 46 HD13 ILE 46 -6.667 -4.151 3.116 336 H CYS 47 H CYS 47 -1.603 -2.356 1.957 337 HA CYS 47 HA CYS 47 0.136 -2.135 -0.344 338 HB2 CYS 47 HB3 CYS 47 0.903 -2.042 2.582 339 HB3 CYS 47 HB2 CYS 47 1.832 -1.439 1.221 340 H TYR 48 H TYR 48 1.945 -3.468 -0.732 341 HA TYR 48 HA TYR 48 1.765 -6.122 0.530 342 HB2 TYR 48 HB2 TYR 48 2.579 -5.287 -2.245 343 HB3 TYR 48 HB3 TYR 48 2.961 -6.876 -1.597 344 HD1 TYR 48 HD1 TYR 48 -0.135 -4.798 -1.366 345 HD2 TYR 48 HD2 TYR 48 1.646 -8.408 -2.685 346 HE1 TYR 48 HE1 TYR 48 -2.318 -5.579 -2.121 347 HE2 TYR 48 HE2 TYR 48 -0.528 -9.232 -3.423 348 HH TYR 48 HH TYR 48 -2.911 -8.834 -2.940 349 H PHE 49 H PHE 49 3.394 -6.747 1.728 350 HA PHE 49 HA PHE 49 6.028 -5.500 1.301 351 HB2 PHE 49 HB2 PHE 49 4.773 -6.430 3.895 352 HB3 PHE 49 HB3 PHE 49 6.435 -5.874 3.731 353 HD1 PHE 49 HD1 PHE 49 2.913 -4.864 3.719 354 HD2 PHE 49 HD2 PHE 49 6.948 -3.540 3.458 355 HE1 PHE 49 HE1 PHE 49 2.171 -2.552 4.070 356 HE2 PHE 49 HE2 PHE 49 6.211 -1.220 3.811 357 HZ PHE 49 HZ PHE 49 3.817 -0.719 4.113 358 HA PRO 50 HA PRO 50 7.543 -9.531 0.315 359 HB2 PRO 50 HB3 PRO 50 9.983 -8.675 1.777 360 HB3 PRO 50 HB2 PRO 50 9.812 -9.278 0.125 361 HG2 PRO 50 HG3 PRO 50 10.260 -6.695 0.595 362 HG3 PRO 50 HG2 PRO 50 9.171 -7.214 -0.705 363 HD2 PRO 50 HD3 PRO 50 8.512 -6.114 1.994 364 HD3 PRO 50 HD2 PRO 50 7.712 -5.839 0.434 365 H CYS 51 H CYS 51 7.021 -11.324 1.358 366 HA CYS 51 HA CYS 51 6.770 -11.482 4.175 367 HB2 CYS 51 HB3 CYS 51 6.975 -13.776 2.218 368 HB3 CYS 51 HB2 CYS 51 6.278 -13.830 3.833
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