NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
555405 | 2low | 18227 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 39.307 3.249 -15.137 2 H2 MET 1 HT2 MET 1 38.647 2.638 -16.578 3 H3 MET 1 HT3 MET 1 40.149 3.431 -16.598 4 HA MET 1 HA MET 1 39.519 0.694 -15.977 5 HB2 MET 1 HB2 MET 1 42.134 2.115 -16.563 6 HB3 MET 1 HB1 MET 1 41.825 0.383 -16.693 7 HG2 MET 1 HG2 MET 1 39.931 1.071 -18.338 8 HG3 MET 1 HG1 MET 1 40.779 2.615 -18.426 9 HE1 MET 1 HE1 MET 1 43.163 2.812 -18.557 10 HE2 MET 1 HE2 MET 1 44.164 1.965 -19.734 11 HE3 MET 1 HE3 MET 1 44.034 1.344 -18.090 12 H GLU 2 HN GLU 2 40.395 3.413 -14.156 13 HA GLU 2 HA GLU 2 41.099 1.698 -11.881 14 HB2 GLU 2 HB2 GLU 2 42.885 3.647 -13.205 15 HB3 GLU 2 HB1 GLU 2 42.807 3.763 -11.446 16 HG2 GLU 2 HG2 GLU 2 43.346 1.388 -11.232 17 HG3 GLU 2 HG1 GLU 2 43.340 1.206 -12.985 18 H GLU 3 HN GLU 3 39.045 2.209 -11.045 19 HA GLU 3 HA GLU 3 37.899 4.733 -10.808 20 HB2 GLU 3 HB2 GLU 3 37.643 2.729 -8.590 21 HB3 GLU 3 HB1 GLU 3 36.410 3.775 -9.295 22 HG2 GLU 3 HG2 GLU 3 36.898 2.400 -11.482 23 HG3 GLU 3 HG1 GLU 3 37.543 1.205 -10.357 24 H GLY 4 HN GLY 4 37.673 6.084 -8.873 25 HA2 GLY 4 HA2 GLY 4 38.482 7.245 -7.042 26 HA3 GLY 4 HA1 GLY 4 39.622 5.931 -6.767 27 H GLY 5 HN GLY 5 39.313 9.126 -7.706 28 HA2 GLY 5 HA2 GLY 5 41.519 9.295 -9.547 29 HA3 GLY 5 HA1 GLY 5 40.702 10.646 -8.766 30 H ASP 6 HN ASP 6 42.465 7.837 -7.457 31 HA ASP 6 HA ASP 6 44.751 9.314 -6.644 32 HB2 ASP 6 HB2 ASP 6 42.851 10.152 -5.089 33 HB3 ASP 6 HB1 ASP 6 42.996 8.574 -4.318 34 H PHE 7 HN PHE 7 44.861 7.078 -7.949 35 HA PHE 7 HA PHE 7 45.103 4.854 -6.035 36 HB2 PHE 7 HB2 PHE 7 44.598 5.067 -8.944 37 HB3 PHE 7 HB1 PHE 7 45.630 3.729 -8.439 38 HD1 PHE 7 HD2 PHE 7 42.802 5.359 -6.618 39 HD2 PHE 7 HD1 PHE 7 44.256 1.816 -8.565 40 HE1 PHE 7 HE2 PHE 7 40.806 4.110 -5.838 41 HE2 PHE 7 HE1 PHE 7 42.261 0.568 -7.784 42 HZ PHE 7 HZ PHE 7 40.536 1.715 -6.421 43 H ASP 8 HN ASP 8 47.042 4.419 -5.223 44 HA ASP 8 HA ASP 8 49.428 5.588 -6.409 45 HB2 ASP 8 HB2 ASP 8 48.790 5.316 -3.859 46 HB3 ASP 8 HB1 ASP 8 49.521 3.726 -4.072 47 H ASN 9 HN ASN 9 48.097 2.366 -5.761 48 HA ASN 9 HA ASN 9 48.791 0.269 -6.432 49 HB2 ASN 9 HB2 ASN 9 48.516 0.050 -8.673 50 HB3 ASN 9 HB1 ASN 9 48.074 1.754 -8.589 51 HD21 ASN 9 HD21 ASN 9 50.517 -0.497 -9.699 52 HD22 ASN 9 HD22 ASN 9 51.521 0.659 -10.432 53 H TYR 10 HN TYR 10 50.716 -0.713 -8.033 54 HA TYR 10 HA TYR 10 52.917 -1.342 -8.025 55 HB2 TYR 10 HB2 TYR 10 53.894 0.346 -9.118 56 HB3 TYR 10 HB1 TYR 10 52.808 1.520 -8.378 57 HD1 TYR 10 HD1 TYR 10 55.971 -0.372 -7.896 58 HD2 TYR 10 HD2 TYR 10 53.494 2.854 -6.513 59 HE1 TYR 10 HE1 TYR 10 57.815 0.420 -6.440 60 HE2 TYR 10 HE2 TYR 10 55.338 3.645 -5.056 61 HH TYR 10 HH TYR 10 58.454 1.909 -4.931 62 H TYR 11 HN TYR 11 53.728 -2.491 -6.406 63 HA TYR 11 HA TYR 11 54.289 -3.120 -4.256 64 HB2 TYR 11 HB2 TYR 11 56.051 -1.271 -5.220 65 HB3 TYR 11 HB1 TYR 11 55.570 -0.519 -3.701 66 HD1 TYR 11 HD2 TYR 11 55.044 -2.847 -1.976 67 HD2 TYR 11 HD1 TYR 11 58.179 -2.186 -4.837 68 HE1 TYR 11 HE2 TYR 11 56.505 -4.424 -0.739 69 HE2 TYR 11 HE1 TYR 11 59.640 -3.763 -3.600 70 HH TYR 11 HH TYR 11 58.509 -5.358 -0.615 71 H GLY 12 HN GLY 12 51.698 -2.028 -4.411 72 HA2 GLY 12 HA2 GLY 12 51.306 -1.292 -1.646 73 HA3 GLY 12 HA1 GLY 12 50.916 -0.001 -2.778 74 H ALA 13 HN ALA 13 50.068 -1.928 -4.852 75 HA ALA 13 HA ALA 13 47.362 -2.392 -3.821 76 HB1 ALA 13 HB1 ALA 13 47.067 -2.974 -6.384 77 HB2 ALA 13 HB2 ALA 13 48.571 -2.066 -6.536 78 HB3 ALA 13 HB3 ALA 13 47.143 -1.297 -5.844 79 H ASP 14 HN ASP 14 50.209 -4.081 -4.854 80 HA ASP 14 HA ASP 14 48.767 -6.659 -4.749 81 HB2 ASP 14 HB2 ASP 14 51.411 -5.907 -6.012 82 HB3 ASP 14 HB1 ASP 14 50.802 -7.558 -5.902 83 H ASN 15 HN ASN 15 51.018 -4.655 -3.133 84 HA ASN 15 HA ASN 15 52.730 -6.403 -1.850 85 HB2 ASN 15 HB2 ASN 15 53.077 -4.101 -1.470 86 HB3 ASN 15 HB1 ASN 15 51.418 -3.854 -0.928 87 HD21 ASN 15 HD21 ASN 15 51.638 -3.280 1.258 88 HD22 ASN 15 HD22 ASN 15 52.514 -4.182 2.398 89 H GLN 16 HN GLN 16 49.318 -6.094 -1.509 90 HA GLN 16 HA GLN 16 49.241 -7.464 1.067 91 HB2 GLN 16 HB2 GLN 16 46.969 -6.953 1.127 92 HB3 GLN 16 HB1 GLN 16 47.623 -5.595 0.211 93 HG2 GLN 16 HG2 GLN 16 47.169 -7.094 -1.875 94 HG3 GLN 16 HG1 GLN 16 46.098 -7.985 -0.796 95 HE21 GLN 16 HE21 GLN 16 46.143 -5.417 -2.964 96 HE22 GLN 16 HE22 GLN 16 44.777 -4.580 -2.402 97 H SER 17 HN SER 17 48.964 -8.167 -2.323 98 HA SER 17 HA SER 17 47.702 -10.746 -1.935 99 HB2 SER 17 HB2 SER 17 47.153 -9.799 -4.003 100 HB3 SER 17 HB1 SER 17 48.798 -9.244 -4.295 101 HG SER 17 HG SER 17 49.246 -11.655 -4.208 102 H GLU 18 HN GLU 18 50.932 -9.458 -2.212 103 HA GLU 18 HA GLU 18 52.393 -11.694 -2.966 104 HB2 GLU 18 HB2 GLU 18 54.270 -10.594 -2.141 105 HB3 GLU 18 HB1 GLU 18 53.149 -9.255 -2.390 106 HG2 GLU 18 HG2 GLU 18 52.417 -9.721 0.067 107 HG3 GLU 18 HG1 GLU 18 53.946 -10.589 0.188 108 H CYS 19 HN CYS 19 50.629 -11.117 -0.062 109 HA CYS 19 HA CYS 19 52.029 -13.178 1.452 110 HB2 CYS 19 HB2 CYS 19 49.663 -11.403 2.073 111 HB3 CYS 19 HB1 CYS 19 50.250 -12.650 3.174 112 HG CYS 19 HG CYS 19 51.380 -10.053 3.314 113 H GLU 20 HN GLU 20 49.102 -12.767 -0.416 114 HA GLU 20 HA GLU 20 48.020 -15.336 0.446 115 HB2 GLU 20 HB2 GLU 20 46.329 -13.730 0.133 116 HB3 GLU 20 HB1 GLU 20 47.044 -13.140 -1.368 117 HG2 GLU 20 HG2 GLU 20 46.335 -15.018 -2.592 118 HG3 GLU 20 HG1 GLU 20 46.104 -15.991 -1.141 119 H TYR 21 HN TYR 21 49.903 -13.993 -2.126 120 HA TYR 21 HA TYR 21 49.410 -15.688 -4.254 121 HB2 TYR 21 HB2 TYR 21 50.933 -13.983 -4.710 122 HB3 TYR 21 HB1 TYR 21 51.892 -14.318 -3.268 123 HD1 TYR 21 HD1 TYR 21 53.412 -16.270 -3.188 124 HD2 TYR 21 HD2 TYR 21 51.246 -15.241 -6.752 125 HE1 TYR 21 HE1 TYR 21 54.897 -17.746 -4.517 126 HE2 TYR 21 HE2 TYR 21 52.732 -16.717 -8.081 127 HH TYR 21 HH TYR 21 55.413 -18.494 -6.537 128 H THR 22 HN THR 22 51.256 -16.295 -1.317 129 HA THR 22 HA THR 22 52.316 -18.816 -2.197 130 HB THR 22 HB THR 22 52.932 -19.085 0.206 131 HG1 THR 22 HG1 THR 22 51.602 -18.046 1.461 132 HG21 THR 22 HG21 THR 22 53.562 -16.317 -0.844 133 HG22 THR 22 HG22 THR 22 54.313 -17.786 -1.467 134 HG23 THR 22 HG23 THR 22 54.561 -17.314 0.214 135 H ASP 23 HN ASP 23 49.334 -17.745 -0.841 136 HA ASP 23 HA ASP 23 48.576 -20.426 0.053 137 HB2 ASP 23 HB2 ASP 23 47.799 -17.757 0.726 138 HB3 ASP 23 HB1 ASP 23 46.378 -18.628 0.151 139 H TRP 24 HN TRP 24 47.282 -17.936 -2.158 140 HA TRP 24 HA TRP 24 45.241 -19.318 -3.347 141 HB2 TRP 24 HB2 TRP 24 45.333 -17.226 -4.242 142 HB3 TRP 24 HB1 TRP 24 47.097 -17.189 -4.240 143 HD1 TRP 24 HD1 TRP 24 44.140 -18.573 -6.259 144 HE1 TRP 24 HE1 TRP 24 44.939 -19.043 -8.664 145 HE3 TRP 24 HE3 TRP 24 49.131 -17.630 -5.729 146 HZ2 TRP 24 HZ2 TRP 24 47.375 -19.021 -10.165 147 HZ3 TRP 24 HZ3 TRP 24 50.666 -17.862 -7.661 148 HH2 TRP 24 HH2 TRP 24 49.795 -18.555 -9.876 149 H LYS 25 HN LYS 25 48.669 -19.408 -4.321 150 HA LYS 25 HA LYS 25 48.454 -21.160 -6.471 151 HB2 LYS 25 HB2 LYS 25 50.522 -19.924 -5.761 152 HB3 LYS 25 HB1 LYS 25 50.725 -21.114 -4.474 153 HG2 LYS 25 HG2 LYS 25 50.788 -22.921 -6.161 154 HG3 LYS 25 HG1 LYS 25 50.611 -21.723 -7.443 155 HD2 LYS 25 HD2 LYS 25 52.721 -20.700 -6.015 156 HD3 LYS 25 HD1 LYS 25 52.989 -22.437 -5.858 157 HE2 LYS 25 HE2 LYS 25 52.783 -22.668 -8.324 158 HE3 LYS 25 HE1 LYS 25 52.598 -20.919 -8.454 159 HZ1 LYS 25 HZ1 LYS 25 54.883 -21.755 -6.909 160 HZ2 LYS 25 HZ2 LYS 25 54.769 -20.589 -8.139 161 HZ3 LYS 25 HZ3 LYS 25 54.948 -22.231 -8.536 162 H SER 26 HN SER 26 48.161 -21.769 -3.074 163 HA SER 26 HA SER 26 48.410 -24.666 -3.434 164 HB2 SER 26 HB2 SER 26 47.886 -23.057 -0.926 165 HB3 SER 26 HB1 SER 26 48.237 -24.782 -1.000 166 HG SER 26 HG SER 26 50.257 -24.233 -1.934 167 H SER 27 HN SER 27 46.031 -22.293 -2.240 168 HA SER 27 HA SER 27 43.930 -24.331 -2.360 169 HB2 SER 27 HB2 SER 27 43.270 -21.539 -1.627 170 HB3 SER 27 HB1 SER 27 42.766 -23.052 -0.879 171 HG SER 27 HG SER 27 44.254 -22.619 0.535 172 H GLY 28 HN GLY 28 45.271 -23.066 -4.754 173 HA2 GLY 28 HA2 GLY 28 42.788 -22.198 -6.105 174 HA3 GLY 28 HA1 GLY 28 44.300 -21.331 -6.354 175 H ALA 29 HN ALA 29 44.141 -24.805 -5.958 176 HA ALA 29 HA ALA 29 44.598 -25.181 -8.847 177 HB1 ALA 29 HB1 ALA 29 46.786 -25.474 -8.275 178 HB2 ALA 29 HB2 ALA 29 46.218 -27.087 -7.844 179 HB3 ALA 29 HB3 ALA 29 46.405 -25.855 -6.596 180 H LEU 30 HN LEU 30 43.198 -26.192 -5.893 181 HA LEU 30 HA LEU 30 41.984 -28.507 -7.267 182 HB2 LEU 30 HB2 LEU 30 41.996 -29.599 -4.940 183 HB3 LEU 30 HB1 LEU 30 43.523 -29.545 -5.823 184 HG LEU 30 HG LEU 30 42.990 -27.167 -4.160 185 HD11 LEU 30 HD11 LEU 30 43.591 -28.321 -2.055 186 HD12 LEU 30 HD12 LEU 30 43.530 -29.871 -2.893 187 HD13 LEU 30 HD13 LEU 30 42.060 -28.917 -2.695 188 HD21 LEU 30 HD21 LEU 30 45.366 -27.493 -3.623 189 HD22 LEU 30 HD22 LEU 30 45.117 -27.616 -5.364 190 HD23 LEU 30 HD23 LEU 30 45.338 -29.076 -4.401 191 H ILE 31 HN ILE 31 41.568 -25.645 -5.498 192 HA ILE 31 HA ILE 31 38.985 -26.374 -4.383 193 HB ILE 31 HB ILE 31 39.992 -23.555 -4.507 194 HG12 ILE 31 HG12 ILE 31 41.959 -24.851 -3.837 195 HG13 ILE 31 HG11 ILE 31 41.301 -24.011 -2.436 196 HG21 ILE 31 HG21 ILE 31 38.893 -23.462 -2.311 197 HG22 ILE 31 HG22 ILE 31 38.531 -25.185 -2.411 198 HG23 ILE 31 HG23 ILE 31 37.779 -24.059 -3.541 199 HD11 ILE 31 HD11 ILE 31 40.891 -26.933 -3.145 200 HD12 ILE 31 HD12 ILE 31 40.077 -26.112 -1.815 201 HD13 ILE 31 HD13 ILE 31 41.828 -26.296 -1.796 202 HA PRO 32 HA PRO 32 37.812 -23.206 -7.939 203 HB2 PRO 32 HB2 PRO 32 39.619 -24.226 -10.054 204 HB3 PRO 32 HB1 PRO 32 39.196 -22.554 -9.642 205 HG2 PRO 32 HG2 PRO 32 41.601 -23.587 -9.093 206 HG3 PRO 32 HG1 PRO 32 40.821 -22.394 -8.041 207 HD2 PRO 32 HD2 PRO 32 41.103 -25.350 -7.655 208 HD3 PRO 32 HD1 PRO 32 41.148 -24.045 -6.449 209 H ALA 33 HN ALA 33 38.885 -26.521 -8.407 210 HA ALA 33 HA ALA 33 37.218 -27.312 -10.503 211 HB1 ALA 33 HB1 ALA 33 38.670 -29.003 -10.005 212 HB2 ALA 33 HB2 ALA 33 37.304 -29.571 -9.044 213 HB3 ALA 33 HB3 ALA 33 38.616 -28.681 -8.272 214 H ILE 34 HN ILE 34 36.608 -28.143 -7.090 215 HA ILE 34 HA ILE 34 33.954 -28.859 -7.347 216 HB ILE 34 HB ILE 34 35.574 -27.745 -5.087 217 HG12 ILE 34 HG12 ILE 34 35.422 -30.214 -6.041 218 HG13 ILE 34 HG11 ILE 34 35.513 -29.930 -4.304 219 HG21 ILE 34 HG21 ILE 34 32.576 -28.077 -5.172 220 HG22 ILE 34 HG22 ILE 34 33.517 -26.730 -4.531 221 HG23 ILE 34 HG23 ILE 34 33.470 -28.263 -3.663 222 HD11 ILE 34 HD11 ILE 34 33.682 -31.548 -5.166 223 HD12 ILE 34 HD12 ILE 34 32.847 -30.094 -5.710 224 HD13 ILE 34 HD13 ILE 34 33.204 -30.317 -3.998 225 H TYR 35 HN TYR 35 35.245 -25.641 -6.526 226 HA TYR 35 HA TYR 35 32.946 -24.198 -6.191 227 HB2 TYR 35 HB2 TYR 35 35.674 -23.615 -7.005 228 HB3 TYR 35 HB1 TYR 35 34.519 -22.526 -7.775 229 HD1 TYR 35 HD2 TYR 35 35.647 -23.874 -4.496 230 HD2 TYR 35 HD1 TYR 35 33.376 -20.845 -6.527 231 HE1 TYR 35 HE2 TYR 35 35.402 -22.628 -2.365 232 HE2 TYR 35 HE1 TYR 35 33.131 -19.600 -4.396 233 HH TYR 35 HH TYR 35 33.332 -19.789 -2.125 234 H MET 36 HN MET 36 34.588 -24.644 -9.334 235 HA MET 36 HA MET 36 32.557 -23.486 -10.897 236 HB2 MET 36 HB2 MET 36 34.839 -25.346 -11.449 237 HB3 MET 36 HB1 MET 36 33.640 -25.051 -12.709 238 HG2 MET 36 HG2 MET 36 35.027 -22.815 -11.217 239 HG3 MET 36 HG1 MET 36 35.647 -23.484 -12.727 240 HE1 MET 36 HE1 MET 36 32.911 -20.117 -12.298 241 HE2 MET 36 HE2 MET 36 34.607 -20.422 -11.931 242 HE3 MET 36 HE3 MET 36 33.351 -21.180 -10.954 243 H LEU 37 HN LEU 37 33.338 -26.959 -10.581 244 HA LEU 37 HA LEU 37 31.174 -28.036 -11.878 245 HB2 LEU 37 HB2 LEU 37 33.153 -29.236 -10.768 246 HB3 LEU 37 HB1 LEU 37 32.190 -29.203 -9.291 247 HG LEU 37 HG LEU 37 30.354 -30.103 -11.118 248 HD11 LEU 37 HD11 LEU 37 33.014 -31.389 -11.808 249 HD12 LEU 37 HD12 LEU 37 32.159 -30.243 -12.841 250 HD13 LEU 37 HD13 LEU 37 31.439 -31.812 -12.480 251 HD21 LEU 37 HD21 LEU 37 30.691 -31.092 -8.933 252 HD22 LEU 37 HD22 LEU 37 32.299 -31.657 -9.385 253 HD23 LEU 37 HD23 LEU 37 30.871 -32.371 -10.133 254 H VAL 38 HN VAL 38 31.196 -26.319 -8.890 255 HA VAL 38 HA VAL 38 28.476 -27.232 -8.231 256 HB VAL 38 HB VAL 38 30.592 -25.753 -6.673 257 HG11 VAL 38 HG11 VAL 38 28.765 -25.863 -4.829 258 HG12 VAL 38 HG12 VAL 38 27.630 -26.008 -6.171 259 HG13 VAL 38 HG13 VAL 38 28.652 -24.577 -6.031 260 HG21 VAL 38 HG21 VAL 38 30.253 -27.659 -5.123 261 HG22 VAL 38 HG22 VAL 38 30.719 -28.213 -6.732 262 HG23 VAL 38 HG23 VAL 38 29.036 -28.320 -6.215 263 H PHE 39 HN PHE 39 30.274 -24.519 -9.429 264 HA PHE 39 HA PHE 39 28.209 -22.564 -8.934 265 HB2 PHE 39 HB2 PHE 39 30.688 -22.063 -9.148 266 HB3 PHE 39 HB1 PHE 39 30.509 -22.341 -10.881 267 HD1 PHE 39 HD1 PHE 39 28.898 -20.928 -12.207 268 HD2 PHE 39 HD2 PHE 39 29.936 -20.037 -8.135 269 HE1 PHE 39 HE1 PHE 39 28.035 -18.620 -12.492 270 HE2 PHE 39 HE2 PHE 39 29.074 -17.729 -8.421 271 HZ PHE 39 HZ PHE 39 28.124 -17.021 -10.599 272 H LEU 40 HN LEU 40 29.553 -24.015 -11.911 273 HA LEU 40 HA LEU 40 27.503 -23.013 -13.602 274 HB2 LEU 40 HB2 LEU 40 28.381 -24.674 -15.238 275 HB3 LEU 40 HB1 LEU 40 29.650 -23.679 -14.522 276 HG LEU 40 HG LEU 40 29.309 -25.902 -12.801 277 HD11 LEU 40 HD11 LEU 40 28.176 -27.042 -14.674 278 HD12 LEU 40 HD12 LEU 40 29.743 -27.781 -14.344 279 HD13 LEU 40 HD13 LEU 40 29.553 -26.695 -15.720 280 HD21 LEU 40 HD21 LEU 40 31.394 -24.628 -13.268 281 HD22 LEU 40 HD22 LEU 40 31.446 -25.335 -14.883 282 HD23 LEU 40 HD23 LEU 40 31.630 -26.365 -13.463 283 H LEU 41 HN LEU 41 27.186 -25.110 -11.140 284 HA LEU 41 HA LEU 41 25.284 -26.892 -12.507 285 HB2 LEU 41 HB2 LEU 41 27.076 -27.174 -10.259 286 HB3 LEU 41 HB1 LEU 41 25.424 -27.568 -9.784 287 HG LEU 41 HG LEU 41 26.784 -28.689 -12.249 288 HD11 LEU 41 HD11 LEU 41 27.090 -29.383 -9.467 289 HD12 LEU 41 HD12 LEU 41 27.855 -30.116 -10.877 290 HD13 LEU 41 HD13 LEU 41 26.288 -30.702 -10.321 291 HD21 LEU 41 HD21 LEU 41 24.616 -30.239 -11.142 292 HD22 LEU 41 HD22 LEU 41 24.749 -29.520 -12.747 293 HD23 LEU 41 HD23 LEU 41 24.077 -28.582 -11.413 294 H GLY 42 HN GLY 42 25.415 -25.164 -9.381 295 HA2 GLY 42 HA2 GLY 42 22.496 -24.902 -9.433 296 HA3 GLY 42 HA1 GLY 42 23.545 -24.586 -8.055 297 H THR 43 HN THR 43 24.782 -23.248 -10.894 298 HA THR 43 HA THR 43 23.460 -20.653 -10.427 299 HB THR 43 HB THR 43 26.317 -20.480 -11.098 300 HG1 THR 43 HG1 THR 43 26.725 -20.830 -8.746 301 HG21 THR 43 HG21 THR 43 24.592 -19.227 -8.944 302 HG22 THR 43 HG22 THR 43 24.864 -18.550 -10.549 303 HG23 THR 43 HG23 THR 43 26.207 -18.699 -9.415 304 H THR 44 HN THR 44 23.098 -22.679 -12.491 305 HA THR 44 HA THR 44 23.771 -21.011 -14.829 306 HB THR 44 HB THR 44 24.250 -23.961 -14.470 307 HG1 THR 44 HG1 THR 44 25.908 -22.344 -14.163 308 HG21 THR 44 HG21 THR 44 23.045 -24.017 -16.480 309 HG22 THR 44 HG22 THR 44 24.707 -23.814 -17.033 310 HG23 THR 44 HG23 THR 44 23.620 -22.426 -16.979 311 H GLY 45 HN GLY 45 21.881 -23.815 -13.703 312 HA2 GLY 45 HA2 GLY 45 19.729 -23.062 -15.573 313 HA3 GLY 45 HA1 GLY 45 19.915 -24.638 -14.808 314 H ASN 46 HN ASN 46 20.628 -22.881 -12.304 315 HA ASN 46 HA ASN 46 17.984 -23.018 -11.164 316 HB2 ASN 46 HB2 ASN 46 19.202 -23.273 -9.306 317 HB3 ASN 46 HB1 ASN 46 20.675 -22.898 -10.199 318 HD21 ASN 46 HD21 ASN 46 21.379 -20.616 -10.245 319 HD22 ASN 46 HD22 ASN 46 20.802 -19.516 -9.087 320 H GLY 47 HN GLY 47 20.332 -20.374 -11.667 321 HA2 GLY 47 HA2 GLY 47 18.684 -18.259 -10.873 322 HA3 GLY 47 HA1 GLY 47 20.029 -18.117 -12.002 323 H LEU 48 HN LEU 48 19.200 -19.633 -14.121 324 HA LEU 48 HA LEU 48 17.535 -17.902 -15.550 325 HB2 LEU 48 HB2 LEU 48 19.102 -19.573 -16.558 326 HB3 LEU 48 HB1 LEU 48 17.978 -20.848 -16.095 327 HG LEU 48 HG LEU 48 16.201 -19.739 -17.450 328 HD11 LEU 48 HD11 LEU 48 16.668 -17.492 -17.691 329 HD12 LEU 48 HD12 LEU 48 17.356 -18.081 -19.204 330 HD13 LEU 48 HD13 LEU 48 18.406 -17.756 -17.826 331 HD21 LEU 48 HD21 LEU 48 17.728 -21.528 -18.365 332 HD22 LEU 48 HD22 LEU 48 18.721 -20.244 -19.055 333 HD23 LEU 48 HD23 LEU 48 17.055 -20.457 -19.593 334 H VAL 49 HN VAL 49 16.767 -21.058 -14.080 335 HA VAL 49 HA VAL 49 14.044 -21.105 -14.772 336 HB VAL 49 HB VAL 49 15.659 -22.413 -12.600 337 HG11 VAL 49 HG11 VAL 49 13.624 -22.225 -11.451 338 HG12 VAL 49 HG12 VAL 49 13.442 -23.768 -12.287 339 HG13 VAL 49 HG13 VAL 49 12.669 -22.319 -12.931 340 HG21 VAL 49 HG21 VAL 49 15.810 -23.229 -14.942 341 HG22 VAL 49 HG22 VAL 49 14.062 -23.466 -14.959 342 HG23 VAL 49 HG23 VAL 49 15.073 -24.430 -13.882 343 H LEU 50 HN LEU 50 15.298 -20.551 -11.479 344 HA LEU 50 HA LEU 50 13.036 -19.536 -10.313 345 HB2 LEU 50 HB2 LEU 50 15.867 -18.558 -9.856 346 HB3 LEU 50 HB1 LEU 50 14.515 -18.350 -8.744 347 HG LEU 50 HG LEU 50 15.604 -21.024 -9.679 348 HD11 LEU 50 HD11 LEU 50 17.043 -19.576 -8.100 349 HD12 LEU 50 HD12 LEU 50 16.675 -21.219 -7.575 350 HD13 LEU 50 HD13 LEU 50 15.781 -19.857 -6.900 351 HD21 LEU 50 HD21 LEU 50 14.169 -21.635 -7.521 352 HD22 LEU 50 HD22 LEU 50 13.409 -21.513 -9.108 353 HD23 LEU 50 HD23 LEU 50 13.294 -20.171 -7.969 354 H TRP 51 HN TRP 51 15.155 -17.962 -12.594 355 HA TRP 51 HA TRP 51 14.098 -15.314 -12.146 356 HB2 TRP 51 HB2 TRP 51 16.349 -15.487 -12.976 357 HB3 TRP 51 HB1 TRP 51 15.827 -16.485 -14.334 358 HD1 TRP 51 HD1 TRP 51 15.779 -12.896 -13.046 359 HE1 TRP 51 HE1 TRP 51 15.139 -11.323 -14.987 360 HE3 TRP 51 HE3 TRP 51 14.560 -16.343 -16.611 361 HZ2 TRP 51 HZ2 TRP 51 14.231 -11.503 -17.693 362 HZ3 TRP 51 HZ3 TRP 51 13.812 -15.616 -18.859 363 HH2 TRP 51 HH2 TRP 51 13.646 -13.203 -19.404 364 H THR 52 HN THR 52 13.770 -17.774 -14.704 365 HA THR 52 HA THR 52 11.926 -16.346 -16.290 366 HB THR 52 HB THR 52 12.528 -19.287 -15.996 367 HG1 THR 52 HG1 THR 52 13.269 -18.812 -18.190 368 HG21 THR 52 HG21 THR 52 10.435 -17.886 -17.643 369 HG22 THR 52 HG22 THR 52 10.292 -19.372 -16.704 370 HG23 THR 52 HG23 THR 52 11.185 -19.373 -18.225 371 H VAL 53 HN VAL 53 11.432 -18.792 -13.752 372 HA VAL 53 HA VAL 53 8.626 -18.880 -13.890 373 HB VAL 53 HB VAL 53 10.571 -19.447 -11.654 374 HG11 VAL 53 HG11 VAL 53 8.361 -20.690 -10.812 375 HG12 VAL 53 HG12 VAL 53 7.584 -19.359 -11.669 376 HG13 VAL 53 HG13 VAL 53 8.709 -19.023 -10.353 377 HG21 VAL 53 HG21 VAL 53 8.771 -21.464 -12.920 378 HG22 VAL 53 HG22 VAL 53 10.430 -21.643 -12.347 379 HG23 VAL 53 HG23 VAL 53 10.111 -20.857 -13.893 380 H PHE 54 HN PHE 54 10.789 -16.935 -11.840 381 HA PHE 54 HA PHE 54 8.882 -15.606 -10.316 382 HB2 PHE 54 HB2 PHE 54 11.654 -14.999 -11.214 383 HB3 PHE 54 HB1 PHE 54 10.706 -13.665 -10.558 384 HD1 PHE 54 HD1 PHE 54 10.699 -17.308 -9.696 385 HD2 PHE 54 HD2 PHE 54 11.484 -13.297 -8.372 386 HE1 PHE 54 HE1 PHE 54 11.104 -18.146 -7.398 387 HE2 PHE 54 HE2 PHE 54 11.890 -14.136 -6.074 388 HZ PHE 54 HZ PHE 54 11.700 -16.560 -5.587 389 H ARG 55 HN ARG 55 9.342 -15.490 -13.663 390 HA ARG 55 HA ARG 55 8.024 -12.861 -13.897 391 HB2 ARG 55 HB2 ARG 55 9.851 -14.435 -15.644 392 HB3 ARG 55 HB1 ARG 55 8.636 -13.429 -16.433 393 HG2 ARG 55 HG2 ARG 55 9.508 -11.451 -15.559 394 HG3 ARG 55 HG1 ARG 55 10.277 -12.272 -14.201 395 HD2 ARG 55 HD2 ARG 55 11.685 -11.428 -16.313 396 HD3 ARG 55 HD1 ARG 55 12.117 -12.891 -15.432 397 HE ARG 55 HE ARG 55 11.404 -14.156 -17.263 398 HH11 ARG 55 HH21 ARG 55 10.469 -10.836 -17.544 399 HH12 ARG 55 HH22 ARG 55 9.967 -10.974 -19.196 400 HH21 ARG 55 HH11 ARG 55 10.747 -14.345 -19.429 401 HH22 ARG 55 HH12 ARG 55 10.124 -12.961 -20.263 402 H LYS 56 HN LYS 56 7.441 -16.199 -14.055 403 HA LYS 56 HA LYS 56 5.087 -15.843 -15.791 404 HB2 LYS 56 HB2 LYS 56 5.295 -18.023 -16.418 405 HB3 LYS 56 HB1 LYS 56 6.964 -17.764 -15.921 406 HG2 LYS 56 HG2 LYS 56 6.250 -18.555 -13.589 407 HG3 LYS 56 HG1 LYS 56 4.739 -19.078 -14.332 408 HD2 LYS 56 HD2 LYS 56 7.356 -19.968 -15.527 409 HD3 LYS 56 HD1 LYS 56 6.715 -20.786 -14.106 410 HE2 LYS 56 HE2 LYS 56 4.798 -20.304 -16.329 411 HE3 LYS 56 HE1 LYS 56 6.049 -21.513 -16.611 412 HZ1 LYS 56 HZ1 LYS 56 5.144 -21.980 -14.060 413 HZ2 LYS 56 HZ2 LYS 56 4.803 -22.904 -15.445 414 HZ3 LYS 56 HZ3 LYS 56 3.741 -21.669 -14.961 415 H LYS 57 HN LYS 57 6.092 -16.602 -12.537 416 HA LYS 57 HA LYS 57 3.313 -17.169 -11.749 417 HB2 LYS 57 HB2 LYS 57 5.995 -17.681 -10.513 418 HB3 LYS 57 HB1 LYS 57 4.567 -17.593 -9.481 419 HG2 LYS 57 HG2 LYS 57 3.466 -19.335 -10.807 420 HG3 LYS 57 HG1 LYS 57 4.847 -19.396 -11.904 421 HD2 LYS 57 HD2 LYS 57 6.260 -19.905 -9.808 422 HD3 LYS 57 HD1 LYS 57 4.723 -20.235 -9.007 423 HE2 LYS 57 HE2 LYS 57 5.673 -22.311 -9.921 424 HE3 LYS 57 HE1 LYS 57 4.177 -21.899 -10.758 425 HZ1 LYS 57 HZ1 LYS 57 6.056 -22.552 -12.233 426 HZ2 LYS 57 HZ2 LYS 57 6.867 -21.140 -11.748 427 HZ3 LYS 57 HZ3 LYS 57 5.390 -21.031 -12.581 428 H GLY 58 HN GLY 58 5.875 -14.822 -11.431 429 HA2 GLY 58 HA2 GLY 58 4.649 -13.357 -9.272 430 HA3 GLY 58 HA1 GLY 58 6.023 -12.837 -10.244 431 H HIS 59 HN HIS 59 4.516 -13.327 -12.758 432 HA HIS 59 HA HIS 59 3.542 -10.737 -13.204 433 HB2 HIS 59 HB2 HIS 59 4.062 -12.969 -14.767 434 HB3 HIS 59 HB1 HIS 59 2.320 -12.744 -14.932 435 HD2 HIS 59 HD2 HIS 59 5.568 -10.480 -15.393 436 HE1 HIS 59 HE1 HIS 59 2.465 -8.974 -17.828 437 HE2 HIS 59 HE2 HIS 59 4.906 -8.699 -17.184 438 H HIS 60 HN HIS 60 2.111 -13.358 -11.586 439 HA HIS 60 HA HIS 60 -0.463 -11.926 -11.522 440 HB2 HIS 60 HB2 HIS 60 -0.007 -14.824 -12.191 441 HB3 HIS 60 HB1 HIS 60 -1.525 -14.286 -11.473 442 HD2 HIS 60 HD2 HIS 60 -2.248 -11.648 -13.122 443 HE1 HIS 60 HE1 HIS 60 -1.363 -13.822 -16.631 444 HE2 HIS 60 HE2 HIS 60 -2.518 -11.753 -15.717 445 H HIS 61 HN HIS 61 0.037 -15.102 -10.180 446 HA HIS 61 HA HIS 61 0.668 -14.061 -7.529 447 HB2 HIS 61 HB2 HIS 61 -1.970 -14.248 -8.146 448 HB3 HIS 61 HB1 HIS 61 -1.668 -15.871 -7.527 449 HD2 HIS 61 HD2 HIS 61 0.628 -14.699 -5.239 450 HE1 HIS 61 HE1 HIS 61 -2.808 -12.840 -3.640 451 HE2 HIS 61 HE2 HIS 61 -0.414 -13.531 -3.149 452 H HIS 62 HN HIS 62 -0.684 -17.034 -8.981 453 HA HIS 62 HA HIS 62 1.737 -18.515 -8.664 454 HB2 HIS 62 HB2 HIS 62 1.334 -18.630 -6.353 455 HB3 HIS 62 HB1 HIS 62 -0.410 -18.780 -6.572 456 HD2 HIS 62 HD2 HIS 62 2.785 -21.058 -7.266 457 HE1 HIS 62 HE1 HIS 62 -0.596 -23.530 -6.735 458 HE2 HIS 62 HE2 HIS 62 1.917 -23.515 -7.104 459 H HIS 63 HN HIS 63 1.617 -19.718 -10.444 460 HA HIS 63 HA HIS 63 0.769 -20.996 -12.159 461 HB2 HIS 63 HB2 HIS 63 0.598 -22.430 -9.957 462 HB3 HIS 63 HB1 HIS 63 -1.136 -22.232 -10.211 463 HD2 HIS 63 HD2 HIS 63 1.681 -24.477 -11.469 464 HE1 HIS 63 HE1 HIS 63 -1.415 -24.814 -14.319 465 HE2 HIS 63 HE2 HIS 63 0.790 -25.801 -13.535 466 H HIS 64 HN HIS 64 -0.424 -18.469 -11.934 467 HA HIS 64 HA HIS 64 -2.339 -17.266 -12.415 468 HB2 HIS 64 HB2 HIS 64 -2.802 -19.580 -14.306 469 HB3 HIS 64 HB1 HIS 64 -3.329 -17.909 -14.508 470 HD2 HIS 64 HD2 HIS 64 -0.037 -20.029 -14.842 471 HE1 HIS 64 HE1 HIS 64 0.770 -16.123 -16.225 472 HE2 HIS 64 HE2 HIS 64 1.701 -18.477 -16.021 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 27.583 -12.820 -16.894 2 H2 MET 1 HT2 MET 1 27.681 -11.927 -18.336 3 H3 MET 1 HT3 MET 1 28.634 -13.319 -18.127 4 HA MET 1 HA MET 1 26.189 -13.190 -19.350 5 HB2 MET 1 HB2 MET 1 28.106 -14.856 -19.568 6 HB3 MET 1 HB1 MET 1 27.450 -15.662 -18.142 7 HG2 MET 1 HG2 MET 1 26.394 -16.824 -19.874 8 HG3 MET 1 HG1 MET 1 25.192 -15.597 -19.476 9 HE1 MET 1 HE1 MET 1 27.448 -16.277 -23.306 10 HE2 MET 1 HE2 MET 1 26.655 -17.402 -22.205 11 HE3 MET 1 HE3 MET 1 28.150 -16.611 -21.717 12 H GLU 2 HN GLU 2 26.799 -15.147 -16.427 13 HA GLU 2 HA GLU 2 24.170 -15.703 -15.782 14 HB2 GLU 2 HB2 GLU 2 26.508 -15.256 -13.913 15 HB3 GLU 2 HB1 GLU 2 24.983 -16.011 -13.450 16 HG2 GLU 2 HG2 GLU 2 26.608 -17.040 -15.775 17 HG3 GLU 2 HG1 GLU 2 26.916 -17.581 -14.125 18 H GLU 3 HN GLU 3 22.741 -14.013 -16.012 19 HA GLU 3 HA GLU 3 23.075 -11.391 -15.091 20 HB2 GLU 3 HB2 GLU 3 20.527 -11.363 -15.083 21 HB3 GLU 3 HB1 GLU 3 21.291 -11.826 -16.604 22 HG2 GLU 3 HG2 GLU 3 20.759 -14.090 -16.335 23 HG3 GLU 3 HG1 GLU 3 20.556 -13.934 -14.591 24 H GLY 4 HN GLY 4 21.120 -10.654 -13.427 25 HA2 GLY 4 HA2 GLY 4 20.443 -10.547 -11.225 26 HA3 GLY 4 HA1 GLY 4 20.834 -12.260 -11.087 27 H GLY 5 HN GLY 5 22.743 -9.306 -11.719 28 HA2 GLY 5 HA2 GLY 5 24.976 -10.249 -10.193 29 HA3 GLY 5 HA1 GLY 5 24.782 -8.633 -10.866 30 H ASP 6 HN ASP 6 23.683 -10.722 -8.208 31 HA ASP 6 HA ASP 6 24.207 -8.871 -6.175 32 HB2 ASP 6 HB2 ASP 6 21.663 -8.446 -5.664 33 HB3 ASP 6 HB1 ASP 6 22.527 -7.399 -6.788 34 H PHE 7 HN PHE 7 24.923 -11.179 -5.772 35 HA PHE 7 HA PHE 7 22.888 -13.058 -4.941 36 HB2 PHE 7 HB2 PHE 7 25.683 -13.486 -4.079 37 HB3 PHE 7 HB1 PHE 7 24.569 -14.586 -4.890 38 HD1 PHE 7 HD2 PHE 7 23.782 -13.342 -7.315 39 HD2 PHE 7 HD1 PHE 7 27.607 -13.158 -5.367 40 HE1 PHE 7 HE2 PHE 7 24.868 -12.852 -9.490 41 HE2 PHE 7 HE1 PHE 7 28.692 -12.668 -7.541 42 HZ PHE 7 HZ PHE 7 27.322 -12.515 -9.604 43 H ASP 8 HN ASP 8 23.449 -14.153 -2.680 44 HA ASP 8 HA ASP 8 22.775 -12.202 -0.699 45 HB2 ASP 8 HB2 ASP 8 23.330 -15.154 -0.663 46 HB3 ASP 8 HB1 ASP 8 23.171 -14.257 0.847 47 H ASN 9 HN ASN 9 25.550 -12.359 -2.147 48 HA ASN 9 HA ASN 9 27.645 -12.924 -0.520 49 HB2 ASN 9 HB2 ASN 9 28.411 -10.472 -1.480 50 HB3 ASN 9 HB1 ASN 9 28.517 -11.986 -2.376 51 HD21 ASN 9 HD21 ASN 9 26.292 -9.221 -1.789 52 HD22 ASN 9 HD22 ASN 9 25.514 -9.341 -3.292 53 H TYR 10 HN TYR 10 26.754 -9.507 -0.653 54 HA TYR 10 HA TYR 10 27.815 -8.656 1.691 55 HB2 TYR 10 HB2 TYR 10 26.608 -6.746 1.396 56 HB3 TYR 10 HB1 TYR 10 26.228 -7.491 -0.157 57 HD1 TYR 10 HD2 TYR 10 24.285 -9.455 0.216 58 HD2 TYR 10 HD1 TYR 10 24.742 -5.807 2.439 59 HE1 TYR 10 HE2 TYR 10 21.883 -9.525 0.826 60 HE2 TYR 10 HE1 TYR 10 22.341 -5.878 3.049 61 HH TYR 10 HH TYR 10 20.522 -7.348 3.185 62 H TYR 11 HN TYR 11 26.949 -8.228 3.817 63 HA TYR 11 HA TYR 11 26.172 -9.122 5.803 64 HB2 TYR 11 HB2 TYR 11 24.206 -7.851 4.644 65 HB3 TYR 11 HB1 TYR 11 23.540 -9.466 4.401 66 HD1 TYR 11 HD1 TYR 11 24.895 -7.176 7.024 67 HD2 TYR 11 HD2 TYR 11 22.452 -10.603 6.161 68 HE1 TYR 11 HE1 TYR 11 24.109 -7.209 9.375 69 HE2 TYR 11 HE2 TYR 11 21.665 -10.634 8.512 70 HH TYR 11 HH TYR 11 22.057 -8.069 10.615 71 H GLY 12 HN GLY 12 27.392 -11.057 4.138 72 HA2 GLY 12 HA2 GLY 12 26.929 -13.428 5.369 73 HA3 GLY 12 HA1 GLY 12 25.735 -13.427 4.075 74 H ALA 13 HN ALA 13 28.788 -11.807 3.695 75 HA ALA 13 HA ALA 13 29.617 -13.876 1.748 76 HB1 ALA 13 HB1 ALA 13 29.492 -10.971 1.616 77 HB2 ALA 13 HB2 ALA 13 29.693 -12.145 0.316 78 HB3 ALA 13 HB3 ALA 13 31.098 -11.582 1.221 79 H ASP 14 HN ASP 14 30.645 -11.793 4.388 80 HA ASP 14 HA ASP 14 33.356 -12.887 4.327 81 HB2 ASP 14 HB2 ASP 14 31.985 -10.715 5.889 82 HB3 ASP 14 HB1 ASP 14 33.534 -11.363 6.424 83 H ASN 15 HN ASN 15 30.341 -13.359 5.928 84 HA ASN 15 HA ASN 15 31.204 -14.499 8.352 85 HB2 ASN 15 HB2 ASN 15 28.770 -13.946 7.203 86 HB3 ASN 15 HB1 ASN 15 28.801 -15.709 7.179 87 HD21 ASN 15 HD21 ASN 15 28.909 -16.836 9.256 88 HD22 ASN 15 HD22 ASN 15 28.587 -16.025 10.712 89 H GLN 16 HN GLN 16 31.116 -15.721 5.105 90 HA GLN 16 HA GLN 16 31.726 -18.448 6.053 91 HB2 GLN 16 HB2 GLN 16 31.201 -19.178 3.789 92 HB3 GLN 16 HB1 GLN 16 29.874 -18.200 4.417 93 HG2 GLN 16 HG2 GLN 16 30.085 -17.012 2.499 94 HG3 GLN 16 HG1 GLN 16 31.503 -16.299 3.268 95 HE21 GLN 16 HE21 GLN 16 30.442 -18.668 0.862 96 HE22 GLN 16 HE22 GLN 16 31.980 -18.941 0.200 97 H SER 17 HN SER 17 33.042 -15.683 4.409 98 HA SER 17 HA SER 17 35.330 -17.105 3.343 99 HB2 SER 17 HB2 SER 17 34.173 -14.919 2.454 100 HB3 SER 17 HB1 SER 17 35.223 -14.124 3.624 101 HG SER 17 HG SER 17 36.931 -15.480 2.599 102 H GLU 18 HN GLU 18 34.489 -15.383 6.242 103 HA GLU 18 HA GLU 18 37.038 -14.673 7.177 104 HB2 GLU 18 HB2 GLU 18 34.379 -15.176 8.419 105 HB3 GLU 18 HB1 GLU 18 35.784 -15.158 9.486 106 HG2 GLU 18 HG2 GLU 18 36.305 -12.937 8.982 107 HG3 GLU 18 HG1 GLU 18 35.424 -12.974 7.456 108 H CYS 19 HN CYS 19 35.146 -17.332 8.575 109 HA CYS 19 HA CYS 19 37.180 -18.695 9.810 110 HB2 CYS 19 HB2 CYS 19 34.735 -19.238 9.944 111 HB3 CYS 19 HB1 CYS 19 34.877 -20.027 8.372 112 HG CYS 19 HG CYS 19 36.926 -21.101 10.350 113 H GLU 20 HN GLU 20 36.443 -18.573 6.408 114 HA GLU 20 HA GLU 20 38.243 -20.780 5.772 115 HB2 GLU 20 HB2 GLU 20 36.716 -18.908 3.947 116 HB3 GLU 20 HB1 GLU 20 37.575 -20.367 3.452 117 HG2 GLU 20 HG2 GLU 20 35.359 -20.390 5.512 118 HG3 GLU 20 HG1 GLU 20 35.065 -20.637 3.792 119 H TYR 21 HN TYR 21 38.317 -17.354 6.060 120 HA TYR 21 HA TYR 21 40.235 -16.526 4.271 121 HB2 TYR 21 HB2 TYR 21 39.061 -15.049 5.885 122 HB3 TYR 21 HB1 TYR 21 40.060 -15.709 7.181 123 HD1 TYR 21 HD2 TYR 21 42.577 -15.439 7.060 124 HD2 TYR 21 HD1 TYR 21 39.892 -13.357 4.432 125 HE1 TYR 21 HE2 TYR 21 44.377 -13.829 6.498 126 HE2 TYR 21 HE1 TYR 21 41.691 -11.747 3.870 127 HH TYR 21 HH TYR 21 43.832 -10.904 5.033 128 H THR 22 HN THR 22 40.637 -18.520 7.109 129 HA THR 22 HA THR 22 43.514 -18.279 7.173 130 HB THR 22 HB THR 22 43.368 -20.087 8.863 131 HG1 THR 22 HG1 THR 22 40.991 -20.446 9.416 132 HG21 THR 22 HG21 THR 22 41.258 -17.959 9.296 133 HG22 THR 22 HG22 THR 22 42.991 -17.660 9.423 134 HG23 THR 22 HG23 THR 22 42.207 -18.785 10.532 135 H ASP 23 HN ASP 23 41.201 -20.223 5.509 136 HA ASP 23 HA ASP 23 43.298 -22.137 4.695 137 HB2 ASP 23 HB2 ASP 23 40.374 -22.320 5.083 138 HB3 ASP 23 HB1 ASP 23 41.010 -23.171 3.676 139 H TRP 24 HN TRP 24 40.497 -20.419 3.296 140 HA TRP 24 HA TRP 24 40.806 -20.780 0.645 141 HB2 TRP 24 HB2 TRP 24 39.122 -19.294 0.879 142 HB3 TRP 24 HB1 TRP 24 39.855 -18.548 2.299 143 HD1 TRP 24 HD1 TRP 24 39.461 -18.140 -1.407 144 HE1 TRP 24 HE1 TRP 24 40.680 -16.004 -2.183 145 HE3 TRP 24 HE3 TRP 24 42.044 -17.003 2.848 146 HZ2 TRP 24 HZ2 TRP 24 42.510 -14.070 -1.137 147 HZ3 TRP 24 HZ3 TRP 24 43.517 -15.011 2.932 148 HH2 TRP 24 HH2 TRP 24 43.752 -13.544 0.946 149 H LYS 25 HN LYS 25 42.881 -18.792 2.679 150 HA LYS 25 HA LYS 25 44.307 -17.378 0.763 151 HB2 LYS 25 HB2 LYS 25 44.480 -17.390 3.374 152 HB3 LYS 25 HB1 LYS 25 45.730 -18.605 3.101 153 HG2 LYS 25 HG2 LYS 25 46.835 -17.009 1.503 154 HG3 LYS 25 HG1 LYS 25 45.661 -15.787 1.991 155 HD2 LYS 25 HD2 LYS 25 46.452 -16.430 4.424 156 HD3 LYS 25 HD1 LYS 25 47.888 -17.015 3.584 157 HE2 LYS 25 HE2 LYS 25 48.426 -14.773 4.061 158 HE3 LYS 25 HE1 LYS 25 47.862 -14.704 2.393 159 HZ1 LYS 25 HZ1 LYS 25 46.539 -13.791 4.842 160 HZ2 LYS 25 HZ2 LYS 25 45.569 -14.346 3.563 161 HZ3 LYS 25 HZ3 LYS 25 46.634 -13.043 3.323 162 H SER 26 HN SER 26 44.792 -20.693 1.914 163 HA SER 26 HA SER 26 46.807 -21.098 -0.210 164 HB2 SER 26 HB2 SER 26 46.320 -22.481 2.421 165 HB3 SER 26 HB1 SER 26 47.303 -23.212 1.156 166 HG SER 26 HG SER 26 47.756 -20.548 1.926 167 H SER 27 HN SER 27 43.616 -21.825 0.733 168 HA SER 27 HA SER 27 43.506 -24.207 -0.998 169 HB2 SER 27 HB2 SER 27 41.576 -23.107 1.052 170 HB3 SER 27 HB1 SER 27 41.207 -24.468 -0.002 171 HG SER 27 HG SER 27 42.758 -25.651 0.970 172 H GLY 28 HN GLY 28 43.197 -20.963 -1.293 173 HA2 GLY 28 HA2 GLY 28 40.758 -20.786 -2.814 174 HA3 GLY 28 HA1 GLY 28 41.987 -19.535 -2.660 175 H ALA 29 HN ALA 29 43.520 -22.348 -3.500 176 HA ALA 29 HA ALA 29 43.593 -21.552 -6.340 177 HB1 ALA 29 HB1 ALA 29 45.598 -23.492 -5.545 178 HB2 ALA 29 HB2 ALA 29 45.644 -22.063 -4.511 179 HB3 ALA 29 HB3 ALA 29 45.809 -21.892 -6.258 180 H LEU 30 HN LEU 30 42.221 -23.817 -4.322 181 HA LEU 30 HA LEU 30 41.892 -25.714 -6.564 182 HB2 LEU 30 HB2 LEU 30 42.017 -27.586 -5.020 183 HB3 LEU 30 HB1 LEU 30 43.492 -26.625 -4.895 184 HG LEU 30 HG LEU 30 41.781 -25.427 -3.060 185 HD11 LEU 30 HD11 LEU 30 40.855 -27.214 -1.717 186 HD12 LEU 30 HD12 LEU 30 41.585 -28.437 -2.756 187 HD13 LEU 30 HD13 LEU 30 40.275 -27.427 -3.369 188 HD21 LEU 30 HD21 LEU 30 43.922 -27.547 -2.703 189 HD22 LEU 30 HD22 LEU 30 43.273 -26.572 -1.385 190 HD23 LEU 30 HD23 LEU 30 44.155 -25.799 -2.703 191 H ILE 31 HN ILE 31 40.445 -23.658 -4.373 192 HA ILE 31 HA ILE 31 38.060 -25.188 -3.864 193 HB ILE 31 HB ILE 31 38.950 -22.389 -3.281 194 HG12 ILE 31 HG12 ILE 31 37.644 -24.444 -1.496 195 HG13 ILE 31 HG11 ILE 31 39.373 -24.485 -1.844 196 HG21 ILE 31 HG21 ILE 31 36.119 -23.433 -3.330 197 HG22 ILE 31 HG22 ILE 31 36.735 -21.900 -3.950 198 HG23 ILE 31 HG23 ILE 31 36.604 -22.160 -2.211 199 HD11 ILE 31 HD11 ILE 31 38.291 -23.071 0.213 200 HD12 ILE 31 HD12 ILE 31 38.303 -21.840 -1.050 201 HD13 ILE 31 HD13 ILE 31 39.805 -22.635 -0.579 202 HA PRO 32 HA PRO 32 36.485 -22.049 -7.314 203 HB2 PRO 32 HB2 PRO 32 38.731 -22.457 -9.216 204 HB3 PRO 32 HB1 PRO 32 37.831 -20.978 -8.833 205 HG2 PRO 32 HG2 PRO 32 40.329 -21.359 -7.983 206 HG3 PRO 32 HG1 PRO 32 39.126 -20.502 -7.003 207 HD2 PRO 32 HD2 PRO 32 40.170 -23.291 -6.691 208 HD3 PRO 32 HD1 PRO 32 39.698 -22.116 -5.445 209 H ALA 33 HN ALA 33 38.403 -24.955 -7.837 210 HA ALA 33 HA ALA 33 37.179 -25.956 -10.142 211 HB1 ALA 33 HB1 ALA 33 37.704 -28.219 -8.685 212 HB2 ALA 33 HB2 ALA 33 38.786 -27.044 -7.936 213 HB3 ALA 33 HB3 ALA 33 38.887 -27.358 -9.669 214 H ILE 34 HN ILE 34 36.493 -27.084 -6.824 215 HA ILE 34 HA ILE 34 34.124 -28.428 -7.436 216 HB ILE 34 HB ILE 34 35.282 -27.259 -4.934 217 HG12 ILE 34 HG12 ILE 34 35.752 -29.575 -6.134 218 HG13 ILE 34 HG11 ILE 34 35.655 -29.481 -4.377 219 HG21 ILE 34 HG21 ILE 34 33.256 -28.376 -3.767 220 HG22 ILE 34 HG22 ILE 34 32.447 -28.217 -5.326 221 HG23 ILE 34 HG23 ILE 34 33.016 -26.780 -4.477 222 HD11 ILE 34 HD11 ILE 34 34.298 -31.343 -5.563 223 HD12 ILE 34 HD12 ILE 34 33.199 -30.048 -6.037 224 HD13 ILE 34 HD13 ILE 34 33.476 -30.388 -4.329 225 H TYR 35 HN TYR 35 34.705 -25.048 -6.638 226 HA TYR 35 HA TYR 35 32.034 -24.239 -6.270 227 HB2 TYR 35 HB2 TYR 35 34.541 -23.008 -6.272 228 HB3 TYR 35 HB1 TYR 35 33.655 -22.214 -7.574 229 HD1 TYR 35 HD2 TYR 35 33.085 -23.438 -4.070 230 HD2 TYR 35 HD1 TYR 35 32.272 -20.416 -7.014 231 HE1 TYR 35 HE2 TYR 35 31.781 -22.158 -2.395 232 HE2 TYR 35 HE1 TYR 35 30.967 -19.137 -5.339 233 HH TYR 35 HH TYR 35 29.636 -19.913 -3.065 234 H MET 36 HN MET 36 34.072 -23.733 -9.161 235 HA MET 36 HA MET 36 32.084 -22.880 -10.891 236 HB2 MET 36 HB2 MET 36 34.705 -24.270 -11.274 237 HB3 MET 36 HB1 MET 36 33.634 -24.073 -12.660 238 HG2 MET 36 HG2 MET 36 35.356 -22.192 -12.181 239 HG3 MET 36 HG1 MET 36 33.692 -21.720 -12.524 240 HE1 MET 36 HE1 MET 36 32.146 -20.535 -10.987 241 HE2 MET 36 HE2 MET 36 33.502 -19.544 -11.519 242 HE3 MET 36 HE3 MET 36 32.938 -19.430 -9.854 243 H LEU 37 HN LEU 37 33.345 -26.214 -10.612 244 HA LEU 37 HA LEU 37 31.621 -27.494 -12.337 245 HB2 LEU 37 HB2 LEU 37 33.521 -28.577 -11.147 246 HB3 LEU 37 HB1 LEU 37 32.557 -28.577 -9.669 247 HG LEU 37 HG LEU 37 30.957 -29.671 -11.776 248 HD11 LEU 37 HD11 LEU 37 32.345 -31.674 -12.295 249 HD12 LEU 37 HD12 LEU 37 33.708 -30.914 -11.473 250 HD13 LEU 37 HD13 LEU 37 33.047 -30.189 -12.938 251 HD21 LEU 37 HD21 LEU 37 30.686 -30.160 -9.392 252 HD22 LEU 37 HD22 LEU 37 32.292 -30.887 -9.336 253 HD23 LEU 37 HD23 LEU 37 31.008 -31.659 -10.265 254 H VAL 38 HN VAL 38 31.016 -26.386 -9.055 255 HA VAL 38 HA VAL 38 28.368 -27.610 -9.001 256 HB VAL 38 HB VAL 38 29.905 -25.918 -7.024 257 HG11 VAL 38 HG11 VAL 38 27.882 -26.744 -5.540 258 HG12 VAL 38 HG12 VAL 38 27.038 -26.799 -7.087 259 HG13 VAL 38 HG13 VAL 38 27.725 -25.280 -6.512 260 HG21 VAL 38 HG21 VAL 38 30.167 -27.926 -5.814 261 HG22 VAL 38 HG22 VAL 38 30.392 -28.433 -7.488 262 HG23 VAL 38 HG23 VAL 38 28.853 -28.724 -6.678 263 H PHE 39 HN PHE 39 29.838 -24.619 -9.854 264 HA PHE 39 HA PHE 39 27.498 -22.977 -9.476 265 HB2 PHE 39 HB2 PHE 39 30.078 -22.344 -9.662 266 HB3 PHE 39 HB1 PHE 39 29.663 -22.187 -11.368 267 HD1 PHE 39 HD1 PHE 39 28.330 -21.245 -7.988 268 HD2 PHE 39 HD2 PHE 39 28.800 -20.148 -12.115 269 HE1 PHE 39 HE1 PHE 39 27.280 -19.046 -7.524 270 HE2 PHE 39 HE2 PHE 39 27.751 -17.949 -11.650 271 HZ PHE 39 HZ PHE 39 26.992 -17.398 -9.355 272 H LEU 40 HN LEU 40 29.255 -24.047 -12.400 273 HA LEU 40 HA LEU 40 27.230 -23.273 -14.212 274 HB2 LEU 40 HB2 LEU 40 28.427 -24.702 -15.833 275 HB3 LEU 40 HB1 LEU 40 29.537 -23.672 -14.930 276 HG LEU 40 HG LEU 40 29.383 -25.918 -13.333 277 HD11 LEU 40 HD11 LEU 40 28.111 -26.968 -15.301 278 HD12 LEU 40 HD12 LEU 40 29.509 -27.861 -14.704 279 HD13 LEU 40 HD13 LEU 40 29.639 -26.904 -16.179 280 HD21 LEU 40 HD21 LEU 40 31.463 -24.835 -13.776 281 HD22 LEU 40 HD22 LEU 40 31.310 -25.095 -15.514 282 HD23 LEU 40 HD23 LEU 40 31.633 -26.459 -14.445 283 H LEU 41 HN LEU 41 27.040 -25.537 -11.856 284 HA LEU 41 HA LEU 41 25.402 -27.417 -13.422 285 HB2 LEU 41 HB2 LEU 41 27.058 -27.619 -11.015 286 HB3 LEU 41 HB1 LEU 41 25.479 -28.381 -10.836 287 HG LEU 41 HG LEU 41 27.301 -28.868 -13.208 288 HD11 LEU 41 HD11 LEU 41 27.404 -29.905 -10.479 289 HD12 LEU 41 HD12 LEU 41 28.572 -30.081 -11.788 290 HD13 LEU 41 HD13 LEU 41 27.205 -31.189 -11.671 291 HD21 LEU 41 HD21 LEU 41 25.467 -30.988 -12.522 292 HD22 LEU 41 HD22 LEU 41 25.565 -30.059 -14.017 293 HD23 LEU 41 HD23 LEU 41 24.577 -29.473 -12.680 294 H GLY 42 HN GLY 42 25.292 -25.585 -10.362 295 HA2 GLY 42 HA2 GLY 42 22.357 -25.802 -10.372 296 HA3 GLY 42 HA1 GLY 42 23.351 -25.327 -8.998 297 H THR 43 HN THR 43 24.397 -23.868 -11.854 298 HA THR 43 HA THR 43 22.741 -21.466 -11.404 299 HB THR 43 HB THR 43 25.613 -21.079 -12.081 300 HG1 THR 43 HG1 THR 43 25.479 -20.992 -9.488 301 HG21 THR 43 HG21 THR 43 23.791 -19.633 -10.147 302 HG22 THR 43 HG22 THR 43 23.858 -19.259 -11.869 303 HG23 THR 43 HG23 THR 43 25.288 -19.038 -10.862 304 H THR 44 HN THR 44 22.845 -23.660 -13.452 305 HA THR 44 HA THR 44 23.138 -21.917 -15.823 306 HB THR 44 HB THR 44 24.030 -24.783 -15.486 307 HG1 THR 44 HG1 THR 44 25.196 -22.298 -15.810 308 HG21 THR 44 HG21 THR 44 24.622 -24.438 -18.000 309 HG22 THR 44 HG22 THR 44 23.375 -23.192 -17.954 310 HG23 THR 44 HG23 THR 44 22.963 -24.863 -17.575 311 H GLY 45 HN GLY 45 21.614 -24.764 -14.380 312 HA2 GLY 45 HA2 GLY 45 19.285 -24.338 -16.159 313 HA3 GLY 45 HA1 GLY 45 19.869 -25.950 -15.756 314 H ASN 46 HN ASN 46 20.119 -23.609 -13.273 315 HA ASN 46 HA ASN 46 17.648 -24.609 -11.989 316 HB2 ASN 46 HB2 ASN 46 20.401 -24.260 -10.801 317 HB3 ASN 46 HB1 ASN 46 18.947 -24.402 -9.814 318 HD21 ASN 46 HD21 ASN 46 21.076 -26.163 -12.041 319 HD22 ASN 46 HD22 ASN 46 20.442 -27.700 -11.700 320 H GLY 47 HN GLY 47 20.153 -22.075 -11.859 321 HA2 GLY 47 HA2 GLY 47 18.599 -20.227 -10.366 322 HA3 GLY 47 HA1 GLY 47 20.030 -19.839 -11.315 323 H LEU 48 HN LEU 48 19.234 -20.559 -13.853 324 HA LEU 48 HA LEU 48 17.850 -18.316 -14.756 325 HB2 LEU 48 HB2 LEU 48 19.288 -19.813 -16.161 326 HB3 LEU 48 HB1 LEU 48 17.993 -21.007 -16.137 327 HG LEU 48 HG LEU 48 16.457 -19.321 -17.152 328 HD11 LEU 48 HD11 LEU 48 17.926 -17.400 -18.302 329 HD12 LEU 48 HD12 LEU 48 18.904 -17.632 -16.855 330 HD13 LEU 48 HD13 LEU 48 17.205 -17.185 -16.708 331 HD21 LEU 48 HD21 LEU 48 18.267 -19.126 -19.274 332 HD22 LEU 48 HD22 LEU 48 17.129 -20.444 -18.990 333 HD23 LEU 48 HD23 LEU 48 18.783 -20.563 -18.390 334 H VAL 49 HN VAL 49 16.641 -21.647 -14.348 335 HA VAL 49 HA VAL 49 13.982 -21.145 -15.092 336 HB VAL 49 HB VAL 49 15.304 -23.229 -13.378 337 HG11 VAL 49 HG11 VAL 49 12.941 -24.328 -13.507 338 HG12 VAL 49 HG12 VAL 49 12.364 -22.676 -13.728 339 HG13 VAL 49 HG13 VAL 49 13.239 -23.115 -12.262 340 HG21 VAL 49 HG21 VAL 49 13.649 -23.466 -15.903 341 HG22 VAL 49 HG22 VAL 49 14.731 -24.673 -15.210 342 HG23 VAL 49 HG23 VAL 49 15.392 -23.202 -15.925 343 H LEU 50 HN LEU 50 15.166 -21.645 -11.759 344 HA LEU 50 HA LEU 50 12.933 -20.791 -10.391 345 HB2 LEU 50 HB2 LEU 50 15.864 -20.696 -9.753 346 HB3 LEU 50 HB1 LEU 50 14.698 -19.982 -8.640 347 HG LEU 50 HG LEU 50 14.134 -22.726 -9.679 348 HD11 LEU 50 HD11 LEU 50 16.373 -23.137 -9.071 349 HD12 LEU 50 HD12 LEU 50 15.478 -23.532 -7.604 350 HD13 LEU 50 HD13 LEU 50 16.316 -21.986 -7.736 351 HD21 LEU 50 HD21 LEU 50 12.940 -22.934 -7.657 352 HD22 LEU 50 HD22 LEU 50 12.702 -21.239 -8.086 353 HD23 LEU 50 HD23 LEU 50 13.891 -21.680 -6.861 354 H TRP 51 HN TRP 51 15.320 -18.882 -12.072 355 HA TRP 51 HA TRP 51 14.516 -16.367 -10.906 356 HB2 TRP 51 HB2 TRP 51 16.783 -16.580 -11.710 357 HB3 TRP 51 HB1 TRP 51 16.217 -17.043 -13.315 358 HD1 TRP 51 HD1 TRP 51 16.582 -14.042 -11.003 359 HE1 TRP 51 HE1 TRP 51 16.209 -11.886 -12.367 360 HE3 TRP 51 HE3 TRP 51 15.012 -16.054 -15.427 361 HZ2 TRP 51 HZ2 TRP 51 15.358 -11.116 -14.986 362 HZ3 TRP 51 HZ3 TRP 51 14.427 -14.587 -17.337 363 HH2 TRP 51 HH2 TRP 51 14.598 -12.123 -17.122 364 H THR 52 HN THR 52 14.049 -17.977 -14.048 365 HA THR 52 HA THR 52 12.434 -15.944 -15.184 366 HB THR 52 HB THR 52 12.714 -18.892 -15.785 367 HG1 THR 52 HG1 THR 52 14.394 -18.095 -16.734 368 HG21 THR 52 HG21 THR 52 10.644 -18.586 -16.731 369 HG22 THR 52 HG22 THR 52 11.621 -17.901 -18.029 370 HG23 THR 52 HG23 THR 52 10.843 -16.838 -16.856 371 H VAL 53 HN VAL 53 11.567 -19.056 -13.665 372 HA VAL 53 HA VAL 53 8.805 -18.870 -13.837 373 HB VAL 53 HB VAL 53 10.548 -20.075 -11.680 374 HG11 VAL 53 HG11 VAL 53 7.554 -20.109 -12.083 375 HG12 VAL 53 HG12 VAL 53 8.455 -19.745 -10.612 376 HG13 VAL 53 HG13 VAL 53 8.387 -21.400 -11.217 377 HG21 VAL 53 HG21 VAL 53 10.025 -22.167 -12.835 378 HG22 VAL 53 HG22 VAL 53 10.701 -21.019 -13.990 379 HG23 VAL 53 HG23 VAL 53 8.963 -21.312 -13.954 380 H PHE 54 HN PHE 54 10.876 -17.796 -11.134 381 HA PHE 54 HA PHE 54 8.956 -16.707 -9.478 382 HB2 PHE 54 HB2 PHE 54 11.834 -16.169 -9.983 383 HB3 PHE 54 HB1 PHE 54 10.939 -14.929 -9.102 384 HD1 PHE 54 HD1 PHE 54 10.495 -18.643 -9.129 385 HD2 PHE 54 HD2 PHE 54 11.571 -15.167 -6.847 386 HE1 PHE 54 HE1 PHE 54 10.597 -20.025 -7.072 387 HE2 PHE 54 HE2 PHE 54 11.674 -16.549 -4.790 388 HZ PHE 54 HZ PHE 54 11.187 -18.979 -4.903 389 H ARG 55 HN ARG 55 10.628 -15.136 -12.195 390 HA ARG 55 HA ARG 55 9.147 -12.684 -11.933 391 HB2 ARG 55 HB2 ARG 55 11.303 -13.736 -13.609 392 HB3 ARG 55 HB1 ARG 55 10.177 -12.707 -14.495 393 HG2 ARG 55 HG2 ARG 55 10.520 -10.875 -13.001 394 HG3 ARG 55 HG1 ARG 55 11.357 -11.897 -11.831 395 HD2 ARG 55 HD2 ARG 55 12.593 -10.353 -13.756 396 HD3 ARG 55 HD1 ARG 55 13.332 -11.716 -12.918 397 HE ARG 55 HE ARG 55 13.085 -12.996 -14.861 398 HH11 ARG 55 HH21 ARG 55 11.379 -9.991 -15.060 399 HH12 ARG 55 HH22 ARG 55 11.047 -10.132 -16.754 400 HH21 ARG 55 HH11 ARG 55 12.651 -13.190 -17.082 401 HH22 ARG 55 HH12 ARG 55 11.767 -11.944 -17.898 402 H LYS 56 HN LYS 56 8.739 -15.698 -13.616 403 HA LYS 56 HA LYS 56 6.951 -14.878 -15.637 404 HB2 LYS 56 HB2 LYS 56 8.133 -17.140 -15.359 405 HB3 LYS 56 HB1 LYS 56 6.828 -17.551 -14.247 406 HG2 LYS 56 HG2 LYS 56 5.730 -18.232 -16.114 407 HG3 LYS 56 HG1 LYS 56 5.437 -16.512 -16.372 408 HD2 LYS 56 HD2 LYS 56 7.651 -16.439 -17.620 409 HD3 LYS 56 HD1 LYS 56 7.653 -18.201 -17.552 410 HE2 LYS 56 HE2 LYS 56 5.407 -16.540 -18.731 411 HE3 LYS 56 HE1 LYS 56 6.681 -17.309 -19.679 412 HZ1 LYS 56 HZ1 LYS 56 4.319 -18.451 -18.863 413 HZ2 LYS 56 HZ2 LYS 56 5.500 -19.144 -17.859 414 HZ3 LYS 56 HZ3 LYS 56 5.649 -19.250 -19.547 415 H LYS 57 HN LYS 57 6.268 -16.353 -12.455 416 HA LYS 57 HA LYS 57 3.450 -15.682 -12.682 417 HB2 LYS 57 HB2 LYS 57 5.113 -17.069 -10.581 418 HB3 LYS 57 HB1 LYS 57 3.417 -16.663 -10.317 419 HG2 LYS 57 HG2 LYS 57 2.669 -18.240 -11.794 420 HG3 LYS 57 HG1 LYS 57 4.036 -18.014 -12.886 421 HD2 LYS 57 HD2 LYS 57 4.100 -20.241 -11.802 422 HD3 LYS 57 HD1 LYS 57 5.493 -19.259 -11.347 423 HE2 LYS 57 HE2 LYS 57 3.117 -18.970 -9.604 424 HE3 LYS 57 HE1 LYS 57 3.912 -20.543 -9.545 425 HZ1 LYS 57 HZ1 LYS 57 5.040 -17.886 -8.932 426 HZ2 LYS 57 HZ2 LYS 57 6.048 -19.195 -9.326 427 HZ3 LYS 57 HZ3 LYS 57 5.030 -19.282 -7.968 428 H GLY 58 HN GLY 58 6.290 -14.200 -11.529 429 HA2 GLY 58 HA2 GLY 58 5.050 -12.602 -9.464 430 HA3 GLY 58 HA1 GLY 58 6.685 -12.418 -10.092 431 H HIS 59 HN HIS 59 5.725 -12.309 -12.884 432 HA HIS 59 HA HIS 59 5.583 -9.558 -13.255 433 HB2 HIS 59 HB2 HIS 59 5.843 -10.250 -15.368 434 HB3 HIS 59 HB1 HIS 59 5.433 -11.899 -14.894 435 HD2 HIS 59 HD2 HIS 59 2.882 -12.730 -15.674 436 HE1 HIS 59 HE1 HIS 59 1.519 -9.001 -17.109 437 HE2 HIS 59 HE2 HIS 59 0.963 -11.471 -16.918 438 H HIS 60 HN HIS 60 3.160 -11.718 -12.185 439 HA HIS 60 HA HIS 60 1.106 -9.610 -12.512 440 HB2 HIS 60 HB2 HIS 60 0.673 -11.556 -13.991 441 HB3 HIS 60 HB1 HIS 60 0.651 -12.602 -12.572 442 HD2 HIS 60 HD2 HIS 60 -1.052 -9.451 -11.470 443 HE1 HIS 60 HE1 HIS 60 -4.157 -11.816 -13.080 444 HE2 HIS 60 HE2 HIS 60 -3.636 -9.761 -11.681 445 H HIS 61 HN HIS 61 2.626 -9.487 -10.303 446 HA HIS 61 HA HIS 61 1.159 -10.901 -8.174 447 HB2 HIS 61 HB2 HIS 61 3.784 -10.785 -8.419 448 HB3 HIS 61 HB1 HIS 61 3.571 -9.212 -7.650 449 HD2 HIS 61 HD2 HIS 61 2.480 -12.958 -6.804 450 HE1 HIS 61 HE1 HIS 61 3.013 -10.810 -3.209 451 HE2 HIS 61 HE2 HIS 61 2.462 -13.084 -4.196 452 H HIS 62 HN HIS 62 1.963 -8.963 -6.167 453 HA HIS 62 HA HIS 62 -0.111 -6.946 -6.698 454 HB2 HIS 62 HB2 HIS 62 -0.248 -8.372 -4.636 455 HB3 HIS 62 HB1 HIS 62 1.240 -7.610 -4.074 456 HD2 HIS 62 HD2 HIS 62 -1.338 -6.893 -2.263 457 HE1 HIS 62 HE1 HIS 62 -1.535 -3.268 -4.420 458 HE2 HIS 62 HE2 HIS 62 -2.305 -4.467 -2.317 459 H HIS 63 HN HIS 63 2.893 -6.925 -4.776 460 HA HIS 63 HA HIS 63 3.406 -4.192 -5.744 461 HB2 HIS 63 HB2 HIS 63 3.338 -4.865 -3.234 462 HB3 HIS 63 HB1 HIS 63 4.935 -5.549 -3.540 463 HD2 HIS 63 HD2 HIS 63 3.705 -2.310 -2.274 464 HE1 HIS 63 HE1 HIS 63 7.007 -1.218 -4.668 465 HE2 HIS 63 HE2 HIS 63 5.391 -0.410 -2.883 466 H HIS 64 HN HIS 64 3.897 -6.233 -7.581 467 HA HIS 64 HA HIS 64 5.535 -7.192 -8.894 468 HB2 HIS 64 HB2 HIS 64 7.456 -5.035 -8.270 469 HB3 HIS 64 HB1 HIS 64 6.835 -5.579 -9.829 470 HD2 HIS 64 HD2 HIS 64 6.701 -2.346 -8.384 471 HE1 HIS 64 HE1 HIS 64 2.605 -2.974 -9.191 472 HE2 HIS 64 HE2 HIS 64 4.358 -1.221 -8.643 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 33.046 6.571 21.970 2 H2 MET 1 HT2 MET 1 32.942 8.165 22.550 3 H3 MET 1 HT3 MET 1 31.777 7.576 21.463 4 HA MET 1 HA MET 1 31.128 7.711 23.905 5 HB2 MET 1 HB2 MET 1 30.846 5.303 22.113 6 HB3 MET 1 HB1 MET 1 30.070 5.346 23.696 7 HG2 MET 1 HG2 MET 1 28.905 7.420 23.092 8 HG3 MET 1 HG1 MET 1 29.708 7.428 21.521 9 HE1 MET 1 HE1 MET 1 26.999 7.073 19.954 10 HE2 MET 1 HE2 MET 1 27.238 7.976 21.449 11 HE3 MET 1 HE3 MET 1 25.919 6.814 21.330 12 H GLU 2 HN GLU 2 33.612 7.702 24.646 13 HA GLU 2 HA GLU 2 35.160 6.843 26.110 14 HB2 GLU 2 HB2 GLU 2 32.580 6.022 27.024 15 HB3 GLU 2 HB1 GLU 2 33.718 4.705 27.310 16 HG2 GLU 2 HG2 GLU 2 35.264 6.289 28.416 17 HG3 GLU 2 HG1 GLU 2 34.104 7.591 28.156 18 H GLU 3 HN GLU 3 35.915 4.468 26.986 19 HA GLU 3 HA GLU 3 37.159 2.642 26.334 20 HB2 GLU 3 HB2 GLU 3 34.644 2.189 24.711 21 HB3 GLU 3 HB1 GLU 3 35.894 0.976 24.989 22 HG2 GLU 3 HG2 GLU 3 35.552 1.312 27.467 23 HG3 GLU 3 HG1 GLU 3 34.163 2.324 27.075 24 H GLY 4 HN GLY 4 37.389 1.253 23.974 25 HA2 GLY 4 HA2 GLY 4 37.573 2.513 21.561 26 HA3 GLY 4 HA1 GLY 4 39.015 3.054 22.416 27 H GLY 5 HN GLY 5 38.225 1.019 20.132 28 HA2 GLY 5 HA2 GLY 5 39.712 -1.312 21.149 29 HA3 GLY 5 HA1 GLY 5 38.706 -1.287 19.702 30 H ASP 6 HN ASP 6 40.858 -2.379 19.014 31 HA ASP 6 HA ASP 6 42.219 -0.567 17.288 32 HB2 ASP 6 HB2 ASP 6 43.283 -0.143 19.591 33 HB3 ASP 6 HB1 ASP 6 43.995 -1.746 19.416 34 H PHE 7 HN PHE 7 40.897 -2.728 16.553 35 HA PHE 7 HA PHE 7 42.030 -5.238 16.590 36 HB2 PHE 7 HB2 PHE 7 40.597 -3.807 14.345 37 HB3 PHE 7 HB1 PHE 7 41.009 -5.522 14.296 38 HD1 PHE 7 HD2 PHE 7 39.119 -2.946 16.210 39 HD2 PHE 7 HD1 PHE 7 39.730 -7.136 15.488 40 HE1 PHE 7 HE2 PHE 7 37.103 -3.471 17.553 41 HE2 PHE 7 HE1 PHE 7 37.713 -7.661 16.832 42 HZ PHE 7 HZ PHE 7 36.400 -5.829 17.866 43 H ASP 8 HN ASP 8 43.825 -6.153 15.800 44 HA ASP 8 HA ASP 8 45.604 -4.490 14.146 45 HB2 ASP 8 HB2 ASP 8 46.526 -7.083 15.269 46 HB3 ASP 8 HB1 ASP 8 47.379 -5.547 15.130 47 H ASN 9 HN ASN 9 43.284 -5.883 13.040 48 HA ASN 9 HA ASN 9 43.709 -8.288 11.810 49 HB2 ASN 9 HB2 ASN 9 42.070 -5.962 11.312 50 HB3 ASN 9 HB1 ASN 9 42.611 -6.672 9.793 51 HD21 ASN 9 HD21 ASN 9 41.253 -7.742 12.966 52 HD22 ASN 9 HD22 ASN 9 40.298 -8.977 12.297 53 H TYR 10 HN TYR 10 44.493 -5.165 10.254 54 HA TYR 10 HA TYR 10 46.112 -6.407 8.259 55 HB2 TYR 10 HB2 TYR 10 46.388 -3.506 8.904 56 HB3 TYR 10 HB1 TYR 10 46.313 -4.304 7.334 57 HD1 TYR 10 HD1 TYR 10 44.333 -3.093 10.209 58 HD2 TYR 10 HD2 TYR 10 44.194 -4.855 6.293 59 HE1 TYR 10 HE1 TYR 10 41.898 -2.636 10.088 60 HE2 TYR 10 HE2 TYR 10 41.759 -4.398 6.173 61 HH TYR 10 HH TYR 10 40.102 -2.589 8.736 62 H TYR 11 HN TYR 11 46.932 -7.135 10.883 63 HA TYR 11 HA TYR 11 49.747 -6.579 10.669 64 HB2 TYR 11 HB2 TYR 11 48.122 -5.377 12.907 65 HB3 TYR 11 HB1 TYR 11 49.839 -5.732 13.095 66 HD1 TYR 11 HD1 TYR 11 51.457 -4.779 11.322 67 HD2 TYR 11 HD2 TYR 11 47.425 -3.393 11.846 68 HE1 TYR 11 HE1 TYR 11 52.025 -2.678 10.133 69 HE2 TYR 11 HE2 TYR 11 47.992 -1.292 10.657 70 HH TYR 11 HH TYR 11 50.277 -0.841 8.713 71 H GLY 12 HN GLY 12 48.166 -8.907 10.545 72 HA2 GLY 12 HA2 GLY 12 49.511 -10.824 11.840 73 HA3 GLY 12 HA1 GLY 12 48.405 -10.282 13.100 74 H ALA 13 HN ALA 13 47.500 -10.185 9.741 75 HA ALA 13 HA ALA 13 45.555 -12.360 10.233 76 HB1 ALA 13 HB1 ALA 13 45.439 -9.897 8.498 77 HB2 ALA 13 HB2 ALA 13 44.346 -10.373 9.797 78 HB3 ALA 13 HB3 ALA 13 44.336 -11.254 8.270 79 H ASP 14 HN ASP 14 47.937 -11.059 7.991 80 HA ASP 14 HA ASP 14 47.581 -13.371 6.212 81 HB2 ASP 14 HB2 ASP 14 49.062 -10.757 5.938 82 HB3 ASP 14 HB1 ASP 14 49.278 -12.085 4.799 83 H ASN 15 HN ASN 15 49.692 -12.080 8.627 84 HA ASN 15 HA ASN 15 52.145 -13.201 8.042 85 HB2 ASN 15 HB2 ASN 15 50.755 -12.308 10.449 86 HB3 ASN 15 HB1 ASN 15 51.889 -13.619 10.769 87 HD21 ASN 15 HD21 ASN 15 52.086 -10.951 8.356 88 HD22 ASN 15 HD22 ASN 15 53.559 -10.341 8.938 89 H GLN 16 HN GLN 16 49.209 -14.814 8.559 90 HA GLN 16 HA GLN 16 50.534 -17.332 9.310 91 HB2 GLN 16 HB2 GLN 16 48.385 -18.150 9.911 92 HB3 GLN 16 HB1 GLN 16 48.450 -16.495 10.518 93 HG2 GLN 16 HG2 GLN 16 46.431 -16.359 9.436 94 HG3 GLN 16 HG1 GLN 16 47.475 -16.000 8.062 95 HE21 GLN 16 HE21 GLN 16 46.429 -17.055 6.337 96 HE22 GLN 16 HE22 GLN 16 46.013 -18.701 6.343 97 H SER 17 HN SER 17 49.000 -15.700 6.667 98 HA SER 17 HA SER 17 48.564 -18.113 5.116 99 HB2 SER 17 HB2 SER 17 47.013 -16.631 4.368 100 HB3 SER 17 HB1 SER 17 47.977 -15.232 4.835 101 HG SER 17 HG SER 17 47.793 -16.519 2.441 102 H GLU 18 HN GLU 18 51.051 -15.733 5.555 103 HA GLU 18 HA GLU 18 52.446 -15.925 3.143 104 HB2 GLU 18 HB2 GLU 18 54.247 -14.935 4.258 105 HB3 GLU 18 HB1 GLU 18 52.865 -14.417 5.224 106 HG2 GLU 18 HG2 GLU 18 53.309 -16.580 6.601 107 HG3 GLU 18 HG1 GLU 18 54.899 -16.550 5.841 108 H CYS 19 HN CYS 19 51.713 -18.387 5.254 109 HA CYS 19 HA CYS 19 54.144 -19.933 4.640 110 HB2 CYS 19 HB2 CYS 19 52.010 -20.122 6.729 111 HB3 CYS 19 HB1 CYS 19 52.875 -21.586 6.259 112 HG CYS 19 HG CYS 19 53.992 -19.526 8.078 113 H GLU 20 HN GLU 20 50.604 -20.068 4.395 114 HA GLU 20 HA GLU 20 50.710 -22.515 2.826 115 HB2 GLU 20 HB2 GLU 20 48.320 -22.461 2.889 116 HB3 GLU 20 HB1 GLU 20 48.878 -21.983 4.492 117 HG2 GLU 20 HG2 GLU 20 47.440 -20.237 4.174 118 HG3 GLU 20 HG1 GLU 20 48.799 -19.559 3.279 119 H TYR 21 HN TYR 21 50.801 -19.141 2.280 120 HA TYR 21 HA TYR 21 49.521 -18.868 -0.187 121 HB2 TYR 21 HB2 TYR 21 50.168 -16.789 0.405 122 HB3 TYR 21 HB1 TYR 21 51.533 -17.388 1.348 123 HD1 TYR 21 HD2 TYR 21 50.386 -16.814 -2.164 124 HD2 TYR 21 HD1 TYR 21 53.728 -17.257 0.498 125 HE1 TYR 21 HE2 TYR 21 51.931 -16.185 -3.999 126 HE2 TYR 21 HE1 TYR 21 55.273 -16.628 -1.337 127 HH TYR 21 HH TYR 21 54.522 -16.704 -4.476 128 H THR 22 HN THR 22 52.889 -19.766 0.528 129 HA THR 22 HA THR 22 53.758 -20.000 -2.142 130 HB THR 22 HB THR 22 55.383 -21.739 -0.961 131 HG1 THR 22 HG1 THR 22 54.076 -20.353 1.134 132 HG21 THR 22 HG21 THR 22 56.724 -19.802 -0.183 133 HG22 THR 22 HG22 THR 22 55.308 -18.767 -0.366 134 HG23 THR 22 HG23 THR 22 56.036 -19.525 -1.784 135 H ASP 23 HN ASP 23 51.566 -21.881 -0.371 136 HA ASP 23 HA ASP 23 52.005 -24.258 -2.055 137 HB2 ASP 23 HB2 ASP 23 51.461 -24.037 0.636 138 HB3 ASP 23 HB1 ASP 23 49.875 -24.392 -0.047 139 H TRP 24 HN TRP 24 49.432 -22.030 -1.014 140 HA TRP 24 HA TRP 24 47.273 -22.976 -2.401 141 HB2 TRP 24 HB2 TRP 24 46.645 -21.106 -1.267 142 HB3 TRP 24 HB1 TRP 24 48.180 -20.288 -1.561 143 HD1 TRP 24 HD1 TRP 24 44.815 -21.036 -3.235 144 HE1 TRP 24 HE1 TRP 24 44.455 -19.345 -5.149 145 HE3 TRP 24 HE3 TRP 24 49.346 -18.681 -3.196 146 HZ2 TRP 24 HZ2 TRP 24 45.898 -17.268 -6.485 147 HZ3 TRP 24 HZ3 TRP 24 49.826 -16.852 -4.799 148 HH2 TRP 24 HH2 TRP 24 48.109 -16.143 -6.441 149 H LYS 25 HN LYS 25 49.719 -20.723 -3.698 150 HA LYS 25 HA LYS 25 48.790 -20.389 -6.258 151 HB2 LYS 25 HB2 LYS 25 50.846 -19.336 -5.280 152 HB3 LYS 25 HB1 LYS 25 51.696 -20.857 -5.559 153 HG2 LYS 25 HG2 LYS 25 51.242 -20.709 -7.959 154 HG3 LYS 25 HG1 LYS 25 50.304 -19.235 -7.712 155 HD2 LYS 25 HD2 LYS 25 52.233 -17.999 -7.042 156 HD3 LYS 25 HD1 LYS 25 53.200 -19.465 -6.872 157 HE2 LYS 25 HE2 LYS 25 52.015 -19.100 -9.547 158 HE3 LYS 25 HE1 LYS 25 53.196 -17.868 -9.101 159 HZ1 LYS 25 HZ1 LYS 25 53.688 -20.779 -8.825 160 HZ2 LYS 25 HZ2 LYS 25 54.819 -19.520 -8.676 161 HZ3 LYS 25 HZ3 LYS 25 54.140 -19.883 -10.192 162 H SER 26 HN SER 26 50.061 -23.268 -4.819 163 HA SER 26 HA SER 26 50.251 -24.592 -7.442 164 HB2 SER 26 HB2 SER 26 51.022 -25.766 -4.773 165 HB3 SER 26 HB1 SER 26 51.528 -26.287 -6.378 166 HG SER 26 HG SER 26 52.768 -24.473 -6.566 167 H SER 27 HN SER 27 48.727 -24.929 -4.250 168 HA SER 27 HA SER 27 47.120 -27.180 -5.082 169 HB2 SER 27 HB2 SER 27 47.332 -25.516 -2.596 170 HB3 SER 27 HB1 SER 27 45.943 -26.575 -2.827 171 HG SER 27 HG SER 27 48.648 -27.185 -2.485 172 H GLY 28 HN GLY 28 46.980 -24.227 -6.192 173 HA2 GLY 28 HA2 GLY 28 44.141 -23.670 -5.771 174 HA3 GLY 28 HA1 GLY 28 45.284 -22.661 -6.652 175 H ALA 29 HN ALA 29 45.640 -25.866 -7.559 176 HA ALA 29 HA ALA 29 44.063 -25.401 -10.012 177 HB1 ALA 29 HB1 ALA 29 45.550 -26.965 -11.104 178 HB2 ALA 29 HB2 ALA 29 46.312 -27.375 -9.567 179 HB3 ALA 29 HB3 ALA 29 46.525 -25.765 -10.255 180 H LEU 30 HN LEU 30 43.201 -26.531 -7.307 181 HA LEU 30 HA LEU 30 41.877 -28.916 -8.417 182 HB2 LEU 30 HB2 LEU 30 42.179 -30.076 -6.241 183 HB3 LEU 30 HB1 LEU 30 43.708 -29.770 -7.064 184 HG LEU 30 HG LEU 30 43.225 -27.468 -5.525 185 HD11 LEU 30 HD11 LEU 30 42.942 -28.404 -3.251 186 HD12 LEU 30 HD12 LEU 30 42.709 -30.008 -3.947 187 HD13 LEU 30 HD13 LEU 30 41.532 -28.732 -4.258 188 HD21 LEU 30 HD21 LEU 30 45.203 -28.275 -4.267 189 HD22 LEU 30 HD22 LEU 30 45.412 -28.501 -6.004 190 HD23 LEU 30 HD23 LEU 30 44.994 -29.875 -4.979 191 H ILE 31 HN ILE 31 41.906 -26.261 -6.113 192 HA ILE 31 HA ILE 31 39.368 -26.838 -4.950 193 HB ILE 31 HB ILE 31 40.401 -24.051 -5.040 194 HG12 ILE 31 HG12 ILE 31 41.858 -26.432 -3.924 195 HG13 ILE 31 HG11 ILE 31 42.507 -25.035 -4.782 196 HG21 ILE 31 HG21 ILE 31 39.541 -23.971 -2.853 197 HG22 ILE 31 HG22 ILE 31 39.662 -25.718 -2.645 198 HG23 ILE 31 HG23 ILE 31 38.409 -25.039 -3.682 199 HD11 ILE 31 HD11 ILE 31 41.645 -23.669 -2.741 200 HD12 ILE 31 HD12 ILE 31 43.124 -24.611 -2.556 201 HD13 ILE 31 HD13 ILE 31 41.600 -25.228 -1.918 202 HA PRO 32 HA PRO 32 37.984 -23.422 -8.191 203 HB2 PRO 32 HB2 PRO 32 39.547 -24.367 -10.526 204 HB3 PRO 32 HB1 PRO 32 39.223 -22.711 -9.980 205 HG2 PRO 32 HG2 PRO 32 41.630 -23.842 -9.720 206 HG3 PRO 32 HG1 PRO 32 40.989 -22.700 -8.525 207 HD2 PRO 32 HD2 PRO 32 41.203 -25.683 -8.357 208 HD3 PRO 32 HD1 PRO 32 41.408 -24.463 -7.081 209 H ALA 33 HN ALA 33 38.877 -26.733 -8.966 210 HA ALA 33 HA ALA 33 36.938 -27.300 -10.916 211 HB1 ALA 33 HB1 ALA 33 38.126 -29.146 -8.830 212 HB2 ALA 33 HB2 ALA 33 38.811 -28.808 -10.420 213 HB3 ALA 33 HB3 ALA 33 37.271 -29.657 -10.287 214 H ILE 34 HN ILE 34 36.815 -28.288 -7.485 215 HA ILE 34 HA ILE 34 34.131 -29.024 -7.446 216 HB ILE 34 HB ILE 34 36.074 -28.124 -5.352 217 HG12 ILE 34 HG12 ILE 34 35.742 -30.499 -6.483 218 HG13 ILE 34 HG11 ILE 34 36.083 -30.369 -4.758 219 HG21 ILE 34 HG21 ILE 34 34.183 -28.751 -3.692 220 HG22 ILE 34 HG22 ILE 34 33.089 -28.427 -5.037 221 HG23 ILE 34 HG23 ILE 34 34.137 -27.148 -4.423 222 HD11 ILE 34 HD11 ILE 34 34.118 -31.893 -5.486 223 HD12 ILE 34 HD12 ILE 34 33.243 -30.391 -5.779 224 HD13 ILE 34 HD13 ILE 34 33.833 -30.767 -4.161 225 H TYR 35 HN TYR 35 35.623 -25.864 -6.915 226 HA TYR 35 HA TYR 35 33.345 -24.468 -6.049 227 HB2 TYR 35 HB2 TYR 35 36.016 -23.824 -6.977 228 HB3 TYR 35 HB1 TYR 35 34.833 -22.660 -7.574 229 HD1 TYR 35 HD2 TYR 35 33.513 -21.291 -6.034 230 HD2 TYR 35 HD1 TYR 35 36.409 -24.113 -4.583 231 HE1 TYR 35 HE2 TYR 35 33.407 -20.245 -3.788 232 HE2 TYR 35 HE1 TYR 35 36.302 -23.066 -2.337 233 HH TYR 35 HH TYR 35 35.646 -21.114 -1.249 234 H MET 36 HN MET 36 34.773 -24.433 -9.323 235 HA MET 36 HA MET 36 32.593 -23.180 -10.575 236 HB2 MET 36 HB2 MET 36 34.954 -24.751 -11.482 237 HB3 MET 36 HB1 MET 36 33.633 -24.533 -12.631 238 HG2 MET 36 HG2 MET 36 34.865 -22.238 -11.090 239 HG3 MET 36 HG1 MET 36 35.421 -22.728 -12.692 240 HE1 MET 36 HE1 MET 36 32.359 -19.756 -11.793 241 HE2 MET 36 HE2 MET 36 34.097 -19.903 -11.538 242 HE3 MET 36 HE3 MET 36 32.986 -20.865 -10.565 243 H LEU 37 HN LEU 37 33.480 -26.640 -10.529 244 HA LEU 37 HA LEU 37 31.373 -27.699 -11.941 245 HB2 LEU 37 HB2 LEU 37 33.350 -28.925 -10.892 246 HB3 LEU 37 HB1 LEU 37 32.405 -28.964 -9.404 247 HG LEU 37 HG LEU 37 30.544 -29.833 -11.185 248 HD11 LEU 37 HD11 LEU 37 31.489 -31.225 -12.844 249 HD12 LEU 37 HD12 LEU 37 33.083 -31.191 -12.088 250 HD13 LEU 37 HD13 LEU 37 32.471 -29.761 -12.919 251 HD21 LEU 37 HD21 LEU 37 30.914 -31.028 -9.173 252 HD22 LEU 37 HD22 LEU 37 32.610 -31.319 -9.558 253 HD23 LEU 37 HD23 LEU 37 31.345 -32.179 -10.437 254 H VAL 38 HN VAL 38 31.372 -26.394 -8.698 255 HA VAL 38 HA VAL 38 28.640 -27.326 -8.208 256 HB VAL 38 HB VAL 38 30.663 -25.861 -6.510 257 HG11 VAL 38 HG11 VAL 38 28.779 -26.375 -4.730 258 HG12 VAL 38 HG12 VAL 38 27.719 -26.307 -6.138 259 HG13 VAL 38 HG13 VAL 38 28.698 -24.906 -5.704 260 HG21 VAL 38 HG21 VAL 38 30.738 -27.886 -5.257 261 HG22 VAL 38 HG22 VAL 38 30.768 -28.396 -6.945 262 HG23 VAL 38 HG23 VAL 38 29.272 -28.501 -6.019 263 H PHE 39 HN PHE 39 30.360 -24.511 -9.243 264 HA PHE 39 HA PHE 39 28.293 -22.614 -8.593 265 HB2 PHE 39 HB2 PHE 39 30.908 -22.323 -9.138 266 HB3 PHE 39 HB1 PHE 39 30.250 -22.012 -10.745 267 HD1 PHE 39 HD1 PHE 39 29.805 -21.061 -7.151 268 HD2 PHE 39 HD2 PHE 39 29.352 -19.904 -11.262 269 HE1 PHE 39 HE1 PHE 39 29.135 -18.782 -6.436 270 HE2 PHE 39 HE2 PHE 39 28.683 -17.626 -10.547 271 HZ PHE 39 HZ PHE 39 28.574 -17.065 -8.134 272 H LEU 40 HN LEU 40 29.535 -23.860 -11.706 273 HA LEU 40 HA LEU 40 27.405 -22.818 -13.251 274 HB2 LEU 40 HB2 LEU 40 28.228 -24.334 -15.017 275 HB3 LEU 40 HB1 LEU 40 29.548 -23.450 -14.253 276 HG LEU 40 HG LEU 40 29.338 -25.699 -12.664 277 HD11 LEU 40 HD11 LEU 40 29.275 -27.605 -14.226 278 HD12 LEU 40 HD12 LEU 40 28.943 -26.504 -15.562 279 HD13 LEU 40 HD13 LEU 40 27.755 -26.711 -14.275 280 HD21 LEU 40 HD21 LEU 40 31.397 -26.430 -13.917 281 HD22 LEU 40 HD22 LEU 40 31.434 -24.738 -13.423 282 HD23 LEU 40 HD23 LEU 40 31.069 -25.160 -15.096 283 H LEU 41 HN LEU 41 27.244 -25.080 -10.899 284 HA LEU 41 HA LEU 41 25.297 -26.808 -12.259 285 HB2 LEU 41 HB2 LEU 41 27.131 -27.117 -10.034 286 HB3 LEU 41 HB1 LEU 41 25.494 -27.589 -9.581 287 HG LEU 41 HG LEU 41 26.866 -28.547 -12.105 288 HD11 LEU 41 HD11 LEU 41 26.558 -30.679 -10.300 289 HD12 LEU 41 HD12 LEU 41 27.231 -29.359 -9.344 290 HD13 LEU 41 HD13 LEU 41 28.073 -29.921 -10.788 291 HD21 LEU 41 HD21 LEU 41 24.879 -29.507 -12.577 292 HD22 LEU 41 HD22 LEU 41 24.183 -28.598 -11.236 293 HD23 LEU 41 HD23 LEU 41 24.796 -30.230 -10.971 294 H GLY 42 HN GLY 42 25.516 -25.056 -9.150 295 HA2 GLY 42 HA2 GLY 42 22.585 -24.868 -9.090 296 HA3 GLY 42 HA1 GLY 42 23.671 -24.561 -7.738 297 H THR 43 HN THR 43 24.846 -23.162 -10.558 298 HA THR 43 HA THR 43 23.519 -20.580 -10.008 299 HB THR 43 HB THR 43 26.363 -20.469 -10.806 300 HG1 THR 43 HG1 THR 43 27.088 -20.983 -8.778 301 HG21 THR 43 HG21 THR 43 24.717 -18.563 -10.201 302 HG22 THR 43 HG22 THR 43 26.334 -18.508 -9.499 303 HG23 THR 43 HG23 THR 43 24.971 -19.068 -8.531 304 H THR 44 HN THR 44 23.035 -22.566 -12.080 305 HA THR 44 HA THR 44 23.577 -20.856 -14.419 306 HB THR 44 HB THR 44 24.055 -23.830 -14.205 307 HG1 THR 44 HG1 THR 44 25.617 -21.650 -15.124 308 HG21 THR 44 HG21 THR 44 23.456 -22.096 -16.578 309 HG22 THR 44 HG22 THR 44 22.939 -23.749 -16.246 310 HG23 THR 44 HG23 THR 44 24.599 -23.429 -16.750 311 H GLY 45 HN GLY 45 21.809 -23.735 -13.276 312 HA2 GLY 45 HA2 GLY 45 19.552 -22.991 -15.021 313 HA3 GLY 45 HA1 GLY 45 19.808 -24.575 -14.294 314 H ASN 46 HN ASN 46 20.597 -22.628 -11.866 315 HA ASN 46 HA ASN 46 18.016 -22.926 -10.571 316 HB2 ASN 46 HB2 ASN 46 19.283 -23.073 -8.734 317 HB3 ASN 46 HB1 ASN 46 20.716 -22.817 -9.726 318 HD21 ASN 46 HD21 ASN 46 21.452 -20.533 -10.005 319 HD22 ASN 46 HD22 ASN 46 21.027 -19.368 -8.845 320 H GLY 47 HN GLY 47 20.237 -20.227 -11.290 321 HA2 GLY 47 HA2 GLY 47 18.491 -18.178 -10.405 322 HA3 GLY 47 HA1 GLY 47 19.869 -17.962 -11.481 323 H LEU 48 HN LEU 48 19.277 -19.300 -13.706 324 HA LEU 48 HA LEU 48 17.592 -17.671 -15.158 325 HB2 LEU 48 HB2 LEU 48 19.219 -19.314 -16.114 326 HB3 LEU 48 HB1 LEU 48 18.092 -20.605 -15.710 327 HG LEU 48 HG LEU 48 16.358 -19.499 -17.125 328 HD11 LEU 48 HD11 LEU 48 18.558 -17.494 -17.393 329 HD12 LEU 48 HD12 LEU 48 16.814 -17.247 -17.330 330 HD13 LEU 48 HD13 LEU 48 17.571 -17.816 -18.817 331 HD21 LEU 48 HD21 LEU 48 17.358 -21.165 -18.364 332 HD22 LEU 48 HD22 LEU 48 18.974 -20.486 -18.167 333 HD23 LEU 48 HD23 LEU 48 17.855 -19.776 -19.331 334 H VAL 49 HN VAL 49 16.802 -20.864 -13.775 335 HA VAL 49 HA VAL 49 14.106 -20.915 -14.566 336 HB VAL 49 HB VAL 49 15.633 -22.252 -12.345 337 HG11 VAL 49 HG11 VAL 49 13.542 -22.165 -11.310 338 HG12 VAL 49 HG12 VAL 49 13.412 -23.658 -12.239 339 HG13 VAL 49 HG13 VAL 49 12.672 -22.175 -12.844 340 HG21 VAL 49 HG21 VAL 49 15.662 -22.822 -14.923 341 HG22 VAL 49 HG22 VAL 49 14.107 -23.576 -14.568 342 HG23 VAL 49 HG23 VAL 49 15.564 -24.124 -13.737 343 H LEU 50 HN LEU 50 15.172 -20.505 -11.193 344 HA LEU 50 HA LEU 50 12.871 -19.492 -10.120 345 HB2 LEU 50 HB2 LEU 50 15.699 -18.613 -9.481 346 HB3 LEU 50 HB1 LEU 50 14.297 -18.352 -8.444 347 HG LEU 50 HG LEU 50 15.298 -21.070 -9.355 348 HD11 LEU 50 HD11 LEU 50 15.773 -21.201 -6.793 349 HD12 LEU 50 HD12 LEU 50 15.744 -19.439 -6.864 350 HD13 LEU 50 HD13 LEU 50 16.918 -20.342 -7.822 351 HD21 LEU 50 HD21 LEU 50 13.746 -21.608 -7.249 352 HD22 LEU 50 HD22 LEU 50 13.067 -21.467 -8.870 353 HD23 LEU 50 HD23 LEU 50 12.957 -20.111 -7.748 354 H TRP 51 HN TRP 51 15.080 -17.892 -12.272 355 HA TRP 51 HA TRP 51 14.057 -15.236 -11.758 356 HB2 TRP 51 HB2 TRP 51 16.348 -15.428 -12.485 357 HB3 TRP 51 HB1 TRP 51 15.868 -16.348 -13.911 358 HD1 TRP 51 HD1 TRP 51 15.959 -12.829 -12.492 359 HE1 TRP 51 HE1 TRP 51 15.394 -11.150 -14.365 360 HE3 TRP 51 HE3 TRP 51 14.541 -16.063 -16.181 361 HZ2 TRP 51 HZ2 TRP 51 14.465 -11.173 -17.069 362 HZ3 TRP 51 HZ3 TRP 51 13.821 -15.209 -18.393 363 HH2 TRP 51 HH2 TRP 51 13.781 -12.771 -18.841 364 H THR 52 HN THR 52 13.797 -17.614 -14.394 365 HA THR 52 HA THR 52 12.022 -16.071 -15.986 366 HB THR 52 HB THR 52 12.805 -18.967 -15.895 367 HG1 THR 52 HG1 THR 52 12.904 -17.744 -18.263 368 HG21 THR 52 HG21 THR 52 11.350 -19.099 -18.046 369 HG22 THR 52 HG22 THR 52 10.490 -17.721 -17.360 370 HG23 THR 52 HG23 THR 52 10.549 -19.250 -16.482 371 H VAL 53 HN VAL 53 11.512 -18.598 -13.549 372 HA VAL 53 HA VAL 53 8.732 -18.861 -13.837 373 HB VAL 53 HB VAL 53 10.542 -19.258 -11.450 374 HG11 VAL 53 HG11 VAL 53 7.575 -19.597 -11.788 375 HG12 VAL 53 HG12 VAL 53 8.472 -18.970 -10.405 376 HG13 VAL 53 HG13 VAL 53 8.464 -20.702 -10.739 377 HG21 VAL 53 HG21 VAL 53 10.501 -21.547 -12.054 378 HG22 VAL 53 HG22 VAL 53 10.671 -20.706 -13.595 379 HG23 VAL 53 HG23 VAL 53 9.098 -21.333 -13.102 380 H PHE 54 HN PHE 54 10.654 -16.734 -11.738 381 HA PHE 54 HA PHE 54 8.528 -15.532 -10.356 382 HB2 PHE 54 HB2 PHE 54 11.372 -15.024 -10.769 383 HB3 PHE 54 HB1 PHE 54 10.437 -13.537 -10.610 384 HD1 PHE 54 HD2 PHE 54 10.857 -16.908 -9.028 385 HD2 PHE 54 HD1 PHE 54 9.817 -12.777 -8.481 386 HE1 PHE 54 HE2 PHE 54 10.689 -17.275 -6.581 387 HE2 PHE 54 HE1 PHE 54 9.650 -13.143 -6.034 388 HZ PHE 54 HZ PHE 54 10.086 -15.392 -5.084 389 H ARG 55 HN ARG 55 9.412 -15.311 -13.632 390 HA ARG 55 HA ARG 55 7.893 -12.795 -13.970 391 HB2 ARG 55 HB2 ARG 55 10.183 -14.024 -15.437 392 HB3 ARG 55 HB1 ARG 55 9.032 -13.054 -16.355 393 HG2 ARG 55 HG2 ARG 55 9.584 -11.100 -15.252 394 HG3 ARG 55 HG1 ARG 55 10.040 -11.939 -13.769 395 HD2 ARG 55 HD2 ARG 55 11.677 -12.410 -16.229 396 HD3 ARG 55 HD1 ARG 55 11.887 -10.892 -15.359 397 HE ARG 55 HE ARG 55 12.823 -13.452 -14.518 398 HH11 ARG 55 HH21 ARG 55 11.431 -10.484 -13.412 399 HH12 ARG 55 HH22 ARG 55 12.120 -10.591 -11.826 400 HH21 ARG 55 HH11 ARG 55 13.727 -13.601 -12.440 401 HH22 ARG 55 HH12 ARG 55 13.420 -12.357 -11.276 402 H LYS 56 HN LYS 56 7.342 -15.978 -13.990 403 HA LYS 56 HA LYS 56 5.470 -15.824 -16.277 404 HB2 LYS 56 HB2 LYS 56 6.071 -17.889 -16.987 405 HB3 LYS 56 HB1 LYS 56 7.549 -17.564 -16.085 406 HG2 LYS 56 HG2 LYS 56 6.414 -18.622 -14.060 407 HG3 LYS 56 HG1 LYS 56 5.128 -19.140 -15.151 408 HD2 LYS 56 HD2 LYS 56 7.979 -19.787 -15.849 409 HD3 LYS 56 HD1 LYS 56 7.136 -20.758 -14.645 410 HE2 LYS 56 HE2 LYS 56 5.368 -21.282 -16.221 411 HE3 LYS 56 HE1 LYS 56 6.061 -20.190 -17.419 412 HZ1 LYS 56 HZ1 LYS 56 8.083 -21.579 -17.380 413 HZ2 LYS 56 HZ2 LYS 56 6.711 -22.416 -17.930 414 HZ3 LYS 56 HZ3 LYS 56 7.291 -22.672 -16.355 415 H LYS 57 HN LYS 57 5.968 -16.600 -12.926 416 HA LYS 57 HA LYS 57 3.179 -17.510 -12.661 417 HB2 LYS 57 HB2 LYS 57 5.166 -18.798 -11.655 418 HB3 LYS 57 HB1 LYS 57 5.251 -17.492 -10.472 419 HG2 LYS 57 HG2 LYS 57 2.595 -18.009 -10.392 420 HG3 LYS 57 HG1 LYS 57 3.201 -19.614 -10.803 421 HD2 LYS 57 HD2 LYS 57 4.880 -19.306 -8.891 422 HD3 LYS 57 HD1 LYS 57 3.901 -17.924 -8.397 423 HE2 LYS 57 HE2 LYS 57 2.701 -19.452 -7.220 424 HE3 LYS 57 HE1 LYS 57 1.986 -19.855 -8.780 425 HZ1 LYS 57 HZ1 LYS 57 4.307 -21.248 -8.785 426 HZ2 LYS 57 HZ2 LYS 57 2.781 -21.886 -8.399 427 HZ3 LYS 57 HZ3 LYS 57 3.822 -21.361 -7.163 428 H GLY 58 HN GLY 58 5.417 -14.983 -11.695 429 HA2 GLY 58 HA2 GLY 58 3.535 -13.735 -9.875 430 HA3 GLY 58 HA1 GLY 58 5.115 -13.112 -10.340 431 H HIS 59 HN HIS 59 4.530 -13.415 -13.217 432 HA HIS 59 HA HIS 59 3.635 -10.845 -13.811 433 HB2 HIS 59 HB2 HIS 59 4.461 -13.150 -15.265 434 HB3 HIS 59 HB1 HIS 59 2.959 -12.568 -15.984 435 HD2 HIS 59 HD2 HIS 59 6.662 -11.359 -15.495 436 HE1 HIS 59 HE1 HIS 59 4.653 -8.494 -17.857 437 HE2 HIS 59 HE2 HIS 59 6.915 -9.204 -16.947 438 H HIS 60 HN HIS 60 1.835 -13.859 -13.487 439 HA HIS 60 HA HIS 60 -0.616 -13.082 -14.570 440 HB2 HIS 60 HB2 HIS 60 -0.149 -15.387 -13.903 441 HB3 HIS 60 HB1 HIS 60 -0.084 -14.901 -12.209 442 HD2 HIS 60 HD2 HIS 60 -2.883 -14.452 -15.033 443 HE1 HIS 60 HE1 HIS 60 -4.720 -15.484 -11.374 444 HE2 HIS 60 HE2 HIS 60 -5.143 -14.936 -13.818 445 H HIS 61 HN HIS 61 -1.208 -13.767 -11.322 446 HA HIS 61 HA HIS 61 -1.402 -10.991 -10.457 447 HB2 HIS 61 HB2 HIS 61 -3.806 -12.724 -11.011 448 HB3 HIS 61 HB1 HIS 61 -3.867 -11.389 -9.859 449 HD2 HIS 61 HD2 HIS 61 -2.480 -8.967 -11.359 450 HE1 HIS 61 HE1 HIS 61 -4.716 -9.996 -14.789 451 HE2 HIS 61 HE2 HIS 61 -3.346 -8.162 -13.687 452 H HIS 62 HN HIS 62 -2.582 -14.273 -9.681 453 HA HIS 62 HA HIS 62 -1.113 -14.257 -7.181 454 HB2 HIS 62 HB2 HIS 62 -3.009 -13.106 -6.345 455 HB3 HIS 62 HB1 HIS 62 -4.125 -14.115 -7.265 456 HD2 HIS 62 HD2 HIS 62 -4.922 -16.445 -5.951 457 HE1 HIS 62 HE1 HIS 62 -2.248 -16.175 -2.695 458 HE2 HIS 62 HE2 HIS 62 -4.217 -17.463 -3.652 459 H HIS 63 HN HIS 63 -3.618 -15.844 -9.138 460 HA HIS 63 HA HIS 63 -2.707 -18.466 -8.173 461 HB2 HIS 63 HB2 HIS 63 -5.210 -17.643 -8.432 462 HB3 HIS 63 HB1 HIS 63 -4.965 -18.147 -10.105 463 HD2 HIS 63 HD2 HIS 63 -4.603 -19.841 -6.514 464 HE1 HIS 63 HE1 HIS 63 -5.382 -22.829 -9.393 465 HE2 HIS 63 HE2 HIS 63 -5.047 -22.383 -6.915 466 H HIS 64 HN HIS 64 -0.894 -17.085 -9.802 467 HA HIS 64 HA HIS 64 0.383 -17.315 -11.699 468 HB2 HIS 64 HB2 HIS 64 1.061 -19.448 -11.812 469 HB3 HIS 64 HB1 HIS 64 -0.287 -19.889 -10.764 470 HD2 HIS 64 HD2 HIS 64 0.843 -20.466 -14.383 471 HE1 HIS 64 HE1 HIS 64 -3.237 -21.542 -14.236 472 HE2 HIS 64 HE2 HIS 64 -1.127 -21.626 -15.646 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 56.438 -8.036 -5.967 2 H2 MET 1 HT2 MET 1 57.954 -7.274 -6.049 3 H3 MET 1 HT3 MET 1 56.623 -6.455 -5.382 4 HA MET 1 HA MET 1 56.581 -7.807 -3.481 5 HB2 MET 1 HB2 MET 1 58.248 -9.738 -3.347 6 HB3 MET 1 HB1 MET 1 56.890 -9.974 -4.447 7 HG2 MET 1 HG2 MET 1 58.227 -9.999 -6.278 8 HG3 MET 1 HG1 MET 1 59.199 -8.649 -5.693 9 HE1 MET 1 HE1 MET 1 61.617 -11.646 -6.526 10 HE2 MET 1 HE2 MET 1 61.461 -9.898 -6.685 11 HE3 MET 1 HE3 MET 1 60.197 -10.949 -7.319 12 H GLU 2 HN GLU 2 59.108 -6.496 -5.402 13 HA GLU 2 HA GLU 2 60.868 -6.084 -3.088 14 HB2 GLU 2 HB2 GLU 2 61.764 -6.842 -5.333 15 HB3 GLU 2 HB1 GLU 2 61.350 -5.241 -5.949 16 HG2 GLU 2 HG2 GLU 2 63.399 -4.612 -5.224 17 HG3 GLU 2 HG1 GLU 2 62.698 -4.659 -3.608 18 H GLU 3 HN GLU 3 59.152 -4.661 -2.147 19 HA GLU 3 HA GLU 3 59.851 -1.932 -2.493 20 HB2 GLU 3 HB2 GLU 3 58.339 -2.407 -4.515 21 HB3 GLU 3 HB1 GLU 3 57.023 -2.531 -3.346 22 HG2 GLU 3 HG2 GLU 3 56.857 -0.281 -3.621 23 HG3 GLU 3 HG1 GLU 3 58.246 -0.218 -2.538 24 H GLY 4 HN GLY 4 59.968 -3.269 -0.242 25 HA2 GLY 4 HA2 GLY 4 58.934 -2.019 1.792 26 HA3 GLY 4 HA1 GLY 4 57.472 -2.843 1.257 27 H GLY 5 HN GLY 5 58.925 -5.231 0.377 28 HA2 GLY 5 HA2 GLY 5 60.142 -7.054 1.295 29 HA3 GLY 5 HA1 GLY 5 60.026 -6.300 2.882 30 H ASP 6 HN ASP 6 59.199 -8.147 3.885 31 HA ASP 6 HA ASP 6 56.337 -8.554 3.472 32 HB2 ASP 6 HB2 ASP 6 57.579 -10.225 2.022 33 HB3 ASP 6 HB1 ASP 6 58.204 -10.927 3.514 34 H PHE 7 HN PHE 7 57.494 -7.239 5.565 35 HA PHE 7 HA PHE 7 57.781 -9.136 7.775 36 HB2 PHE 7 HB2 PHE 7 58.890 -6.627 7.215 37 HB3 PHE 7 HB1 PHE 7 57.768 -6.344 8.545 38 HD1 PHE 7 HD1 PHE 7 60.672 -8.380 7.440 39 HD2 PHE 7 HD2 PHE 7 58.192 -7.195 10.741 40 HE1 PHE 7 HE1 PHE 7 62.280 -9.416 9.019 41 HE2 PHE 7 HE2 PHE 7 59.800 -8.230 12.320 42 HZ PHE 7 HZ PHE 7 61.844 -9.341 11.460 43 H ASP 8 HN ASP 8 56.676 -8.260 9.893 44 HA ASP 8 HA ASP 8 53.846 -8.446 9.443 45 HB2 ASP 8 HB2 ASP 8 54.859 -7.620 12.105 46 HB3 ASP 8 HB1 ASP 8 53.695 -8.872 11.680 47 H ASN 9 HN ASN 9 55.742 -5.952 8.836 48 HA ASN 9 HA ASN 9 54.741 -3.761 10.272 49 HB2 ASN 9 HB2 ASN 9 56.586 -4.113 8.265 50 HB3 ASN 9 HB1 ASN 9 55.306 -3.222 7.445 51 HD21 ASN 9 HD21 ASN 9 58.079 -2.352 8.481 52 HD22 ASN 9 HD22 ASN 9 57.745 -0.978 9.420 53 H TYR 10 HN TYR 10 53.454 -5.515 7.519 54 HA TYR 10 HA TYR 10 51.493 -3.658 6.712 55 HB2 TYR 10 HB2 TYR 10 51.887 -6.603 6.385 56 HB3 TYR 10 HB1 TYR 10 50.327 -5.900 5.953 57 HD1 TYR 10 HD2 TYR 10 50.368 -3.799 4.421 58 HD2 TYR 10 HD1 TYR 10 53.682 -6.494 4.874 59 HE1 TYR 10 HE2 TYR 10 51.325 -2.981 2.284 60 HE2 TYR 10 HE1 TYR 10 54.639 -5.676 2.738 61 HH TYR 10 HH TYR 10 54.009 -4.559 0.750 62 H TYR 11 HN TYR 11 50.957 -3.008 9.020 63 HA TYR 11 HA TYR 11 49.624 -3.107 10.913 64 HB2 TYR 11 HB2 TYR 11 47.567 -4.129 8.953 65 HB3 TYR 11 HB1 TYR 11 47.308 -3.112 10.371 66 HD1 TYR 11 HD2 TYR 11 48.107 -0.749 10.385 67 HD2 TYR 11 HD1 TYR 11 48.301 -3.200 6.862 68 HE1 TYR 11 HE2 TYR 11 48.434 1.277 8.993 69 HE2 TYR 11 HE1 TYR 11 48.628 -1.173 5.470 70 HH TYR 11 HH TYR 11 49.413 1.849 6.782 71 H GLY 12 HN GLY 12 51.177 -5.443 10.646 72 HA2 GLY 12 HA2 GLY 12 51.262 -7.691 11.210 73 HA3 GLY 12 HA1 GLY 12 50.217 -7.153 12.522 74 H ALA 13 HN ALA 13 49.777 -7.627 9.009 75 HA ALA 13 HA ALA 13 47.537 -9.458 9.607 76 HB1 ALA 13 HB1 ALA 13 46.574 -8.355 7.399 77 HB2 ALA 13 HB2 ALA 13 47.551 -6.987 7.932 78 HB3 ALA 13 HB3 ALA 13 46.286 -7.627 8.979 79 H ASP 14 HN ASP 14 50.103 -8.441 7.438 80 HA ASP 14 HA ASP 14 49.604 -10.603 5.564 81 HB2 ASP 14 HB2 ASP 14 51.148 -9.591 4.199 82 HB3 ASP 14 HB1 ASP 14 50.673 -8.198 5.169 83 H ASN 15 HN ASN 15 51.634 -9.948 8.324 84 HA ASN 15 HA ASN 15 53.634 -11.876 7.951 85 HB2 ASN 15 HB2 ASN 15 54.246 -10.732 9.793 86 HB3 ASN 15 HB1 ASN 15 52.583 -10.287 10.170 87 HD21 ASN 15 HD21 ASN 15 54.870 -13.053 10.403 88 HD22 ASN 15 HD22 ASN 15 54.132 -13.736 11.771 89 H GLN 16 HN GLN 16 50.301 -12.178 8.908 90 HA GLN 16 HA GLN 16 50.699 -15.022 9.576 91 HB2 GLN 16 HB2 GLN 16 48.743 -14.936 10.828 92 HB3 GLN 16 HB1 GLN 16 49.387 -13.311 11.065 93 HG2 GLN 16 HG2 GLN 16 47.991 -12.702 8.953 94 HG3 GLN 16 HG1 GLN 16 47.122 -14.199 9.290 95 HE21 GLN 16 HE21 GLN 16 46.321 -11.228 9.588 96 HE22 GLN 16 HE22 GLN 16 45.741 -11.128 11.179 97 H SER 17 HN SER 17 50.003 -13.144 6.961 98 HA SER 17 HA SER 17 48.059 -15.035 5.812 99 HB2 SER 17 HB2 SER 17 47.373 -13.354 4.393 100 HB3 SER 17 HB1 SER 17 47.911 -12.385 5.762 101 HG SER 17 HG SER 17 49.404 -13.056 3.438 102 H GLU 18 HN GLU 18 51.237 -13.577 5.238 103 HA GLU 18 HA GLU 18 51.852 -14.664 2.763 104 HB2 GLU 18 HB2 GLU 18 54.078 -14.156 3.226 105 HB3 GLU 18 HB1 GLU 18 53.221 -13.080 4.330 106 HG2 GLU 18 HG2 GLU 18 53.389 -15.071 6.011 107 HG3 GLU 18 HG1 GLU 18 54.667 -15.647 4.942 108 H CYS 19 HN CYS 19 51.522 -16.240 5.823 109 HA CYS 19 HA CYS 19 53.068 -18.569 5.239 110 HB2 CYS 19 HB2 CYS 19 50.812 -18.111 7.205 111 HB3 CYS 19 HB1 CYS 19 51.813 -19.563 7.151 112 HG CYS 19 HG CYS 19 53.602 -18.341 8.345 113 H GLU 20 HN GLU 20 49.785 -17.566 4.574 114 HA GLU 20 HA GLU 20 49.055 -20.242 3.627 115 HB2 GLU 20 HB2 GLU 20 47.405 -17.705 3.723 116 HB3 GLU 20 HB1 GLU 20 46.809 -19.331 3.384 117 HG2 GLU 20 HG2 GLU 20 47.443 -20.078 5.614 118 HG3 GLU 20 HG1 GLU 20 48.178 -18.514 5.961 119 H TYR 21 HN TYR 21 50.069 -17.149 2.451 120 HA TYR 21 HA TYR 21 49.042 -17.240 -0.171 121 HB2 TYR 21 HB2 TYR 21 50.043 -15.217 0.799 122 HB3 TYR 21 HB1 TYR 21 51.622 -16.002 0.821 123 HD1 TYR 21 HD2 TYR 21 52.717 -16.666 -1.336 124 HD2 TYR 21 HD1 TYR 21 49.135 -14.298 -1.218 125 HE1 TYR 21 HE2 TYR 21 53.092 -15.982 -3.689 126 HE2 TYR 21 HE1 TYR 21 49.510 -13.615 -3.572 127 HH TYR 21 HH TYR 21 50.737 -14.572 -5.590 128 H THR 22 HN THR 22 51.843 -18.746 1.313 129 HA THR 22 HA THR 22 53.007 -19.603 -1.181 130 HB THR 22 HB THR 22 54.495 -20.956 0.293 131 HG1 THR 22 HG1 THR 22 53.995 -20.074 2.630 132 HG21 THR 22 HG21 THR 22 55.016 -18.598 -0.231 133 HG22 THR 22 HG22 THR 22 55.557 -19.029 1.390 134 HG23 THR 22 HG23 THR 22 54.083 -18.084 1.174 135 H ASP 23 HN ASP 23 50.551 -20.753 0.936 136 HA ASP 23 HA ASP 23 50.712 -23.498 -0.061 137 HB2 ASP 23 HB2 ASP 23 49.856 -22.372 2.337 138 HB3 ASP 23 HB1 ASP 23 48.364 -22.852 1.530 139 H TRP 24 HN TRP 24 48.321 -20.849 0.025 140 HA TRP 24 HA TRP 24 46.274 -21.914 -1.433 141 HB2 TRP 24 HB2 TRP 24 45.754 -19.774 -0.826 142 HB3 TRP 24 HB1 TRP 24 47.383 -19.176 -1.140 143 HD1 TRP 24 HD1 TRP 24 44.192 -20.223 -3.023 144 HE1 TRP 24 HE1 TRP 24 44.149 -18.998 -5.290 145 HE3 TRP 24 HE3 TRP 24 48.749 -17.923 -2.870 146 HZ2 TRP 24 HZ2 TRP 24 45.825 -17.271 -6.836 147 HZ3 TRP 24 HZ3 TRP 24 49.499 -16.495 -4.751 148 HH2 TRP 24 HH2 TRP 24 48.046 -16.166 -6.731 149 H LYS 25 HN LYS 25 49.035 -20.148 -2.857 150 HA LYS 25 HA LYS 25 48.477 -20.452 -5.529 151 HB2 LYS 25 HB2 LYS 25 50.425 -19.209 -4.574 152 HB3 LYS 25 HB1 LYS 25 51.229 -20.756 -4.305 153 HG2 LYS 25 HG2 LYS 25 51.147 -21.257 -6.695 154 HG3 LYS 25 HG1 LYS 25 50.250 -19.769 -7.000 155 HD2 LYS 25 HD2 LYS 25 52.151 -18.442 -6.162 156 HD3 LYS 25 HD1 LYS 25 53.053 -19.927 -5.853 157 HE2 LYS 25 HE2 LYS 25 53.751 -18.986 -7.998 158 HE3 LYS 25 HE1 LYS 25 52.885 -20.497 -8.271 159 HZ1 LYS 25 HZ1 LYS 25 51.474 -17.905 -8.297 160 HZ2 LYS 25 HZ2 LYS 25 50.999 -19.382 -8.989 161 HZ3 LYS 25 HZ3 LYS 25 52.261 -18.482 -9.684 162 H SER 26 HN SER 26 49.336 -22.903 -3.257 163 HA SER 26 HA SER 26 49.918 -24.838 -5.391 164 HB2 SER 26 HB2 SER 26 51.150 -24.499 -3.013 165 HB3 SER 26 HB1 SER 26 49.934 -25.687 -2.551 166 HG SER 26 HG SER 26 51.252 -26.133 -4.950 167 H SER 27 HN SER 27 47.779 -24.421 -2.574 168 HA SER 27 HA SER 27 46.187 -26.726 -3.247 169 HB2 SER 27 HB2 SER 27 44.644 -25.609 -1.463 170 HB3 SER 27 HB1 SER 27 46.186 -26.294 -0.958 171 HG SER 27 HG SER 27 47.071 -24.180 -1.158 172 H GLY 28 HN GLY 28 46.477 -23.869 -4.760 173 HA2 GLY 28 HA2 GLY 28 43.619 -23.410 -5.233 174 HA3 GLY 28 HA1 GLY 28 44.942 -22.386 -5.784 175 H ALA 29 HN ALA 29 45.868 -25.485 -6.390 176 HA ALA 29 HA ALA 29 44.960 -25.307 -9.192 177 HB1 ALA 29 HB1 ALA 29 46.862 -26.891 -9.624 178 HB2 ALA 29 HB2 ALA 29 47.319 -26.716 -7.931 179 HB3 ALA 29 HB3 ALA 29 47.361 -25.316 -9.003 180 H LEU 30 HN LEU 30 43.134 -26.280 -7.298 181 HA LEU 30 HA LEU 30 42.395 -28.748 -8.477 182 HB2 LEU 30 HB2 LEU 30 42.632 -30.211 -6.492 183 HB3 LEU 30 HB1 LEU 30 44.193 -29.684 -7.122 184 HG LEU 30 HG LEU 30 43.474 -27.684 -5.310 185 HD11 LEU 30 HD11 LEU 30 42.974 -28.935 -3.239 186 HD12 LEU 30 HD12 LEU 30 42.885 -30.432 -4.166 187 HD13 LEU 30 HD13 LEU 30 41.697 -29.157 -4.433 188 HD21 LEU 30 HD21 LEU 30 45.291 -30.100 -5.090 189 HD22 LEU 30 HD22 LEU 30 45.287 -28.789 -3.911 190 HD23 LEU 30 HD23 LEU 30 45.735 -28.466 -5.587 191 H ILE 31 HN ILE 31 42.067 -26.396 -5.903 192 HA ILE 31 HA ILE 31 39.498 -27.321 -5.028 193 HB ILE 31 HB ILE 31 40.816 -24.632 -4.586 194 HG12 ILE 31 HG12 ILE 31 41.893 -26.920 -3.759 195 HG13 ILE 31 HG11 ILE 31 41.842 -25.513 -2.703 196 HG21 ILE 31 HG21 ILE 31 38.375 -25.983 -3.443 197 HG22 ILE 31 HG22 ILE 31 38.523 -24.358 -4.112 198 HG23 ILE 31 HG23 ILE 31 39.240 -24.734 -2.544 199 HD11 ILE 31 HD11 ILE 31 40.019 -26.359 -1.464 200 HD12 ILE 31 HD12 ILE 31 41.038 -27.771 -1.731 201 HD13 ILE 31 HD13 ILE 31 39.596 -27.528 -2.714 202 HA PRO 32 HA PRO 32 38.161 -23.524 -7.853 203 HB2 PRO 32 HB2 PRO 32 39.792 -24.252 -10.226 204 HB3 PRO 32 HB1 PRO 32 39.410 -22.650 -9.566 205 HG2 PRO 32 HG2 PRO 32 41.837 -23.724 -9.316 206 HG3 PRO 32 HG1 PRO 32 41.122 -22.721 -8.042 207 HD2 PRO 32 HD2 PRO 32 41.427 -25.698 -8.150 208 HD3 PRO 32 HD1 PRO 32 41.555 -24.602 -6.759 209 H ALA 33 HN ALA 33 38.980 -26.794 -8.724 210 HA ALA 33 HA ALA 33 37.155 -27.195 -10.838 211 HB1 ALA 33 HB1 ALA 33 37.308 -29.650 -9.991 212 HB2 ALA 33 HB2 ALA 33 38.522 -29.017 -8.879 213 HB3 ALA 33 HB3 ALA 33 38.764 -28.877 -10.620 214 H ILE 34 HN ILE 34 36.848 -28.368 -7.479 215 HA ILE 34 HA ILE 34 34.199 -29.126 -7.546 216 HB ILE 34 HB ILE 34 35.964 -28.079 -5.357 217 HG12 ILE 34 HG12 ILE 34 35.650 -30.371 -4.519 218 HG13 ILE 34 HG11 ILE 34 34.503 -30.701 -5.817 219 HG21 ILE 34 HG21 ILE 34 32.987 -28.552 -5.259 220 HG22 ILE 34 HG22 ILE 34 33.915 -27.217 -4.574 221 HG23 ILE 34 HG23 ILE 34 33.989 -28.814 -3.833 222 HD11 ILE 34 HD11 ILE 34 37.345 -29.813 -6.345 223 HD12 ILE 34 HD12 ILE 34 36.197 -30.502 -7.493 224 HD13 ILE 34 HD13 ILE 34 36.887 -31.511 -6.223 225 H TYR 35 HN TYR 35 35.498 -25.913 -6.722 226 HA TYR 35 HA TYR 35 33.137 -24.596 -6.123 227 HB2 TYR 35 HB2 TYR 35 35.825 -23.836 -6.974 228 HB3 TYR 35 HB1 TYR 35 34.591 -22.705 -7.530 229 HD1 TYR 35 HD1 TYR 35 35.822 -24.503 -4.495 230 HD2 TYR 35 HD2 TYR 35 33.605 -21.162 -6.038 231 HE1 TYR 35 HE1 TYR 35 35.659 -23.554 -2.209 232 HE2 TYR 35 HE2 TYR 35 33.443 -20.214 -3.753 233 HH TYR 35 HH TYR 35 35.299 -20.904 -1.342 234 H MET 36 HN MET 36 34.718 -24.770 -9.322 235 HA MET 36 HA MET 36 32.689 -23.475 -10.763 236 HB2 MET 36 HB2 MET 36 34.941 -25.307 -11.444 237 HB3 MET 36 HB1 MET 36 33.690 -25.054 -12.663 238 HG2 MET 36 HG2 MET 36 35.685 -23.428 -12.696 239 HG3 MET 36 HG1 MET 36 34.072 -22.712 -12.729 240 HE1 MET 36 HE1 MET 36 34.474 -20.512 -11.962 241 HE2 MET 36 HE2 MET 36 34.375 -20.136 -10.244 242 HE3 MET 36 HE3 MET 36 33.131 -21.133 -10.992 243 H LEU 37 HN LEU 37 33.356 -26.986 -10.759 244 HA LEU 37 HA LEU 37 31.093 -27.872 -12.032 245 HB2 LEU 37 HB2 LEU 37 33.097 -29.214 -11.108 246 HB3 LEU 37 HB1 LEU 37 32.159 -29.323 -9.619 247 HG LEU 37 HG LEU 37 30.254 -29.999 -11.429 248 HD11 LEU 37 HD11 LEU 37 31.125 -31.281 -13.211 249 HD12 LEU 37 HD12 LEU 37 32.731 -31.359 -12.484 250 HD13 LEU 37 HD13 LEU 37 32.154 -29.849 -13.188 251 HD21 LEU 37 HD21 LEU 37 30.736 -31.302 -9.453 252 HD22 LEU 37 HD22 LEU 37 32.318 -31.763 -10.080 253 HD23 LEU 37 HD23 LEU 37 30.852 -32.388 -10.838 254 H VAL 38 HN VAL 38 31.289 -26.340 -8.980 255 HA VAL 38 HA VAL 38 28.610 -27.284 -8.200 256 HB VAL 38 HB VAL 38 30.823 -25.891 -6.698 257 HG11 VAL 38 HG11 VAL 38 29.102 -26.105 -4.757 258 HG12 VAL 38 HG12 VAL 38 27.894 -26.162 -6.041 259 HG13 VAL 38 HG13 VAL 38 28.935 -24.749 -5.873 260 HG21 VAL 38 HG21 VAL 38 29.267 -28.424 -6.102 261 HG22 VAL 38 HG22 VAL 38 30.741 -27.866 -5.310 262 HG23 VAL 38 HG23 VAL 38 30.791 -28.406 -6.988 263 H PHE 39 HN PHE 39 30.353 -24.527 -9.373 264 HA PHE 39 HA PHE 39 28.310 -22.601 -8.671 265 HB2 PHE 39 HB2 PHE 39 30.702 -21.968 -8.866 266 HB3 PHE 39 HB1 PHE 39 30.640 -22.340 -10.588 267 HD1 PHE 39 HD1 PHE 39 29.045 -21.058 -12.075 268 HD2 PHE 39 HD2 PHE 39 29.863 -19.906 -8.018 269 HE1 PHE 39 HE1 PHE 39 28.136 -18.797 -12.534 270 HE2 PHE 39 HE2 PHE 39 28.953 -17.645 -8.477 271 HZ PHE 39 HZ PHE 39 28.090 -17.090 -10.735 272 H LEU 40 HN LEU 40 29.552 -23.899 -11.761 273 HA LEU 40 HA LEU 40 27.474 -22.788 -13.341 274 HB2 LEU 40 HB2 LEU 40 28.279 -24.339 -15.090 275 HB3 LEU 40 HB1 LEU 40 29.609 -23.476 -14.318 276 HG LEU 40 HG LEU 40 29.275 -25.737 -12.726 277 HD11 LEU 40 HD11 LEU 40 29.233 -27.623 -14.255 278 HD12 LEU 40 HD12 LEU 40 29.166 -26.543 -15.647 279 HD13 LEU 40 HD13 LEU 40 27.795 -26.644 -14.542 280 HD21 LEU 40 HD21 LEU 40 31.427 -24.801 -13.295 281 HD22 LEU 40 HD22 LEU 40 31.173 -25.125 -15.010 282 HD23 LEU 40 HD23 LEU 40 31.408 -26.463 -13.884 283 H LEU 41 HN LEU 41 27.206 -25.016 -10.978 284 HA LEU 41 HA LEU 41 25.200 -26.664 -12.366 285 HB2 LEU 41 HB2 LEU 41 27.095 -27.146 -10.243 286 HB3 LEU 41 HB1 LEU 41 25.461 -27.516 -9.696 287 HG LEU 41 HG LEU 41 26.638 -28.520 -12.302 288 HD11 LEU 41 HD11 LEU 41 26.201 -30.655 -10.522 289 HD12 LEU 41 HD12 LEU 41 27.024 -29.418 -9.572 290 HD13 LEU 41 HD13 LEU 41 27.760 -30.026 -11.055 291 HD21 LEU 41 HD21 LEU 41 24.479 -30.062 -11.163 292 HD22 LEU 41 HD22 LEU 41 24.550 -29.257 -12.729 293 HD23 LEU 41 HD23 LEU 41 23.989 -28.375 -11.310 294 H GLY 42 HN GLY 42 25.547 -25.087 -9.176 295 HA2 GLY 42 HA2 GLY 42 22.634 -24.803 -9.021 296 HA3 GLY 42 HA1 GLY 42 23.777 -24.535 -7.709 297 H THR 43 HN THR 43 24.831 -23.119 -10.582 298 HA THR 43 HA THR 43 23.550 -20.536 -9.969 299 HB THR 43 HB THR 43 26.386 -20.373 -10.753 300 HG1 THR 43 HG1 THR 43 25.819 -21.011 -8.080 301 HG21 THR 43 HG21 THR 43 24.949 -18.436 -10.145 302 HG22 THR 43 HG22 THR 43 26.352 -18.584 -9.088 303 HG23 THR 43 HG23 THR 43 24.765 -19.109 -8.526 304 H THR 44 HN THR 44 23.066 -22.479 -12.071 305 HA THR 44 HA THR 44 23.656 -20.749 -14.385 306 HB THR 44 HB THR 44 24.088 -23.727 -14.175 307 HG1 THR 44 HG1 THR 44 25.884 -22.357 -15.576 308 HG21 THR 44 HG21 THR 44 23.494 -22.013 -16.572 309 HG22 THR 44 HG22 THR 44 22.891 -23.624 -16.184 310 HG23 THR 44 HG23 THR 44 24.556 -23.413 -16.726 311 H GLY 45 HN GLY 45 21.806 -23.591 -13.281 312 HA2 GLY 45 HA2 GLY 45 19.564 -22.735 -15.000 313 HA3 GLY 45 HA1 GLY 45 19.798 -24.362 -14.368 314 H ASN 46 HN ASN 46 20.632 -22.567 -11.837 315 HA ASN 46 HA ASN 46 18.058 -22.904 -10.543 316 HB2 ASN 46 HB2 ASN 46 20.821 -22.167 -9.634 317 HB3 ASN 46 HB1 ASN 46 19.440 -21.877 -8.579 318 HD21 ASN 46 HD21 ASN 46 20.547 -24.569 -10.732 319 HD22 ASN 46 HD22 ASN 46 20.230 -25.789 -9.596 320 H GLY 47 HN GLY 47 20.306 -20.197 -11.133 321 HA2 GLY 47 HA2 GLY 47 18.593 -18.179 -10.117 322 HA3 GLY 47 HA1 GLY 47 19.967 -17.920 -11.190 323 H LEU 48 HN LEU 48 19.325 -19.156 -13.475 324 HA LEU 48 HA LEU 48 17.613 -17.409 -14.797 325 HB2 LEU 48 HB2 LEU 48 19.263 -19.490 -15.547 326 HB3 LEU 48 HB1 LEU 48 17.660 -20.097 -15.963 327 HG LEU 48 HG LEU 48 17.221 -17.890 -17.118 328 HD11 LEU 48 HD11 LEU 48 19.979 -17.239 -17.602 329 HD12 LEU 48 HD12 LEU 48 19.685 -17.224 -15.864 330 HD13 LEU 48 HD13 LEU 48 18.711 -16.215 -16.931 331 HD21 LEU 48 HD21 LEU 48 17.684 -19.599 -18.630 332 HD22 LEU 48 HD22 LEU 48 19.298 -19.878 -17.975 333 HD23 LEU 48 HD23 LEU 48 18.992 -18.472 -18.995 334 H VAL 49 HN VAL 49 16.922 -20.639 -13.479 335 HA VAL 49 HA VAL 49 14.262 -20.839 -14.355 336 HB VAL 49 HB VAL 49 15.806 -22.051 -12.082 337 HG11 VAL 49 HG11 VAL 49 13.701 -21.920 -11.037 338 HG12 VAL 49 HG12 VAL 49 13.652 -23.495 -11.829 339 HG13 VAL 49 HG13 VAL 49 12.831 -22.115 -12.559 340 HG21 VAL 49 HG21 VAL 49 15.981 -22.796 -14.517 341 HG22 VAL 49 HG22 VAL 49 14.304 -23.323 -14.384 342 HG23 VAL 49 HG23 VAL 49 15.543 -24.060 -13.368 343 H LEU 50 HN LEU 50 15.393 -19.988 -11.074 344 HA LEU 50 HA LEU 50 12.959 -19.162 -10.029 345 HB2 LEU 50 HB2 LEU 50 15.804 -18.384 -9.452 346 HB3 LEU 50 HB1 LEU 50 14.474 -17.590 -8.607 347 HG LEU 50 HG LEU 50 14.449 -20.576 -8.770 348 HD11 LEU 50 HD11 LEU 50 16.371 -18.903 -7.171 349 HD12 LEU 50 HD12 LEU 50 16.665 -20.415 -8.029 350 HD13 LEU 50 HD13 LEU 50 15.768 -20.423 -6.510 351 HD21 LEU 50 HD21 LEU 50 13.871 -18.860 -6.369 352 HD22 LEU 50 HD22 LEU 50 13.136 -20.392 -6.844 353 HD23 LEU 50 HD23 LEU 50 12.713 -18.908 -7.699 354 H TRP 51 HN TRP 51 15.051 -17.563 -12.292 355 HA TRP 51 HA TRP 51 13.843 -14.954 -11.951 356 HB2 TRP 51 HB2 TRP 51 16.148 -15.024 -12.646 357 HB3 TRP 51 HB1 TRP 51 15.755 -16.067 -14.014 358 HD1 TRP 51 HD1 TRP 51 15.469 -12.468 -12.796 359 HE1 TRP 51 HE1 TRP 51 14.847 -10.958 -14.793 360 HE3 TRP 51 HE3 TRP 51 14.577 -16.025 -16.350 361 HZ2 TRP 51 HZ2 TRP 51 14.074 -11.224 -17.533 362 HZ3 TRP 51 HZ3 TRP 51 13.900 -15.370 -18.642 363 HH2 TRP 51 HH2 TRP 51 13.648 -12.976 -19.237 364 H THR 52 HN THR 52 13.776 -17.520 -14.418 365 HA THR 52 HA THR 52 11.954 -16.227 -16.155 366 HB THR 52 HB THR 52 12.743 -19.111 -15.764 367 HG1 THR 52 HG1 THR 52 13.415 -16.975 -17.386 368 HG21 THR 52 HG21 THR 52 10.555 -19.388 -16.560 369 HG22 THR 52 HG22 THR 52 11.503 -19.341 -18.045 370 HG23 THR 52 HG23 THR 52 10.616 -17.910 -17.521 371 H VAL 53 HN VAL 53 11.479 -18.620 -13.566 372 HA VAL 53 HA VAL 53 8.712 -18.958 -13.857 373 HB VAL 53 HB VAL 53 10.569 -19.210 -11.497 374 HG11 VAL 53 HG11 VAL 53 8.600 -18.729 -10.344 375 HG12 VAL 53 HG12 VAL 53 8.457 -20.475 -10.552 376 HG13 VAL 53 HG13 VAL 53 7.574 -19.384 -11.620 377 HG21 VAL 53 HG21 VAL 53 8.910 -21.374 -12.765 378 HG22 VAL 53 HG22 VAL 53 10.466 -21.503 -11.943 379 HG23 VAL 53 HG23 VAL 53 10.382 -20.827 -13.570 380 H PHE 54 HN PHE 54 10.549 -16.661 -11.859 381 HA PHE 54 HA PHE 54 8.412 -15.420 -10.564 382 HB2 PHE 54 HB2 PHE 54 11.217 -14.844 -11.068 383 HB3 PHE 54 HB1 PHE 54 10.238 -13.378 -11.062 384 HD1 PHE 54 HD1 PHE 54 10.742 -16.549 -9.128 385 HD2 PHE 54 HD2 PHE 54 9.648 -12.397 -9.018 386 HE1 PHE 54 HE1 PHE 54 10.607 -16.651 -6.654 387 HE2 PHE 54 HE2 PHE 54 9.513 -12.498 -6.544 388 HZ PHE 54 HZ PHE 54 9.994 -14.624 -5.362 389 H ARG 55 HN ARG 55 9.244 -15.409 -13.868 390 HA ARG 55 HA ARG 55 7.711 -12.948 -14.386 391 HB2 ARG 55 HB2 ARG 55 9.744 -14.513 -15.926 392 HB3 ARG 55 HB1 ARG 55 8.572 -13.534 -16.809 393 HG2 ARG 55 HG2 ARG 55 9.391 -11.543 -15.969 394 HG3 ARG 55 HG1 ARG 55 9.962 -12.287 -14.475 395 HD2 ARG 55 HD2 ARG 55 11.685 -11.548 -16.340 396 HD3 ARG 55 HD1 ARG 55 11.932 -13.039 -15.436 397 HE ARG 55 HE ARG 55 11.450 -14.248 -17.375 398 HH11 ARG 55 HH21 ARG 55 10.669 -10.894 -17.720 399 HH12 ARG 55 HH22 ARG 55 10.400 -10.990 -19.428 400 HH21 ARG 55 HH11 ARG 55 11.098 -14.382 -19.616 401 HH22 ARG 55 HH12 ARG 55 10.643 -12.965 -20.502 402 H LYS 56 HN LYS 56 7.373 -16.315 -14.332 403 HA LYS 56 HA LYS 56 5.171 -16.266 -16.290 404 HB2 LYS 56 HB2 LYS 56 5.605 -18.453 -16.743 405 HB3 LYS 56 HB1 LYS 56 7.189 -18.047 -16.088 406 HG2 LYS 56 HG2 LYS 56 6.283 -18.746 -13.800 407 HG3 LYS 56 HG1 LYS 56 4.885 -19.403 -14.652 408 HD2 LYS 56 HD2 LYS 56 7.650 -20.204 -15.532 409 HD3 LYS 56 HD1 LYS 56 6.924 -20.968 -14.120 410 HE2 LYS 56 HE2 LYS 56 5.315 -22.041 -15.352 411 HE3 LYS 56 HE1 LYS 56 5.210 -20.747 -16.544 412 HZ1 LYS 56 HZ1 LYS 56 6.230 -22.557 -17.616 413 HZ2 LYS 56 HZ2 LYS 56 7.287 -22.846 -16.316 414 HZ3 LYS 56 HZ3 LYS 56 7.483 -21.463 -17.284 415 H LYS 57 HN LYS 57 5.928 -16.724 -12.914 416 HA LYS 57 HA LYS 57 3.131 -17.426 -12.327 417 HB2 LYS 57 HB2 LYS 57 5.731 -17.836 -10.968 418 HB3 LYS 57 HB1 LYS 57 4.354 -17.497 -9.918 419 HG2 LYS 57 HG2 LYS 57 3.092 -19.334 -10.909 420 HG3 LYS 57 HG1 LYS 57 4.386 -19.633 -12.071 421 HD2 LYS 57 HD2 LYS 57 5.923 -20.000 -10.067 422 HD3 LYS 57 HD1 LYS 57 4.467 -20.020 -9.073 423 HE2 LYS 57 HE2 LYS 57 4.919 -22.304 -9.614 424 HE3 LYS 57 HE1 LYS 57 3.573 -21.819 -10.644 425 HZ1 LYS 57 HZ1 LYS 57 6.249 -21.380 -11.702 426 HZ2 LYS 57 HZ2 LYS 57 4.836 -21.893 -12.494 427 HZ3 LYS 57 HZ3 LYS 57 5.748 -22.995 -11.578 428 H GLY 58 HN GLY 58 5.539 -14.925 -11.890 429 HA2 GLY 58 HA2 GLY 58 4.011 -13.402 -9.983 430 HA3 GLY 58 HA1 GLY 58 5.457 -12.866 -10.833 431 H HIS 59 HN HIS 59 4.247 -13.596 -13.454 432 HA HIS 59 HA HIS 59 3.252 -11.102 -14.212 433 HB2 HIS 59 HB2 HIS 59 3.870 -13.511 -15.493 434 HB3 HIS 59 HB1 HIS 59 2.168 -13.229 -15.858 435 HD2 HIS 59 HD2 HIS 59 5.568 -12.021 -17.087 436 HE1 HIS 59 HE1 HIS 59 2.788 -9.111 -18.364 437 HE2 HIS 59 HE2 HIS 59 5.178 -9.936 -18.612 438 H HIS 60 HN HIS 60 1.565 -14.003 -13.119 439 HA HIS 60 HA HIS 60 -1.026 -12.653 -13.423 440 HB2 HIS 60 HB2 HIS 60 -0.649 -15.050 -14.185 441 HB3 HIS 60 HB1 HIS 60 -0.536 -15.478 -12.477 442 HD2 HIS 60 HD2 HIS 60 -3.225 -13.061 -14.161 443 HE1 HIS 60 HE1 HIS 60 -5.228 -16.144 -12.085 444 HE2 HIS 60 HE2 HIS 60 -5.544 -14.014 -13.430 445 H HIS 61 HN HIS 61 -0.362 -11.129 -11.680 446 HA HIS 61 HA HIS 61 -0.062 -12.093 -8.996 447 HB2 HIS 61 HB2 HIS 61 -0.244 -9.460 -10.341 448 HB3 HIS 61 HB1 HIS 61 -0.774 -9.508 -8.659 449 HD2 HIS 61 HD2 HIS 61 2.429 -8.795 -10.337 450 HE1 HIS 61 HE1 HIS 61 3.602 -10.974 -6.916 451 HE2 HIS 61 HE2 HIS 61 4.423 -9.473 -8.793 452 H HIS 62 HN HIS 62 -2.635 -12.308 -10.935 453 HA HIS 62 HA HIS 62 -4.827 -12.871 -10.450 454 HB2 HIS 62 HB2 HIS 62 -3.686 -13.333 -8.072 455 HB3 HIS 62 HB1 HIS 62 -4.663 -11.931 -7.631 456 HD2 HIS 62 HD2 HIS 62 -7.120 -12.986 -9.886 457 HE1 HIS 62 HE1 HIS 62 -7.521 -16.023 -6.981 458 HE2 HIS 62 HE2 HIS 62 -8.644 -14.892 -8.958 459 H HIS 63 HN HIS 63 -3.479 -9.888 -9.158 460 HA HIS 63 HA HIS 63 -5.866 -8.458 -10.138 461 HB2 HIS 63 HB2 HIS 63 -4.544 -8.199 -7.440 462 HB3 HIS 63 HB1 HIS 63 -5.522 -6.902 -8.127 463 HD2 HIS 63 HD2 HIS 63 -7.741 -7.303 -6.418 464 HE1 HIS 63 HE1 HIS 63 -8.547 -11.269 -7.620 465 HE2 HIS 63 HE2 HIS 63 -9.415 -9.301 -6.270 466 H HIS 64 HN HIS 64 -3.467 -8.790 -11.539 467 HA HIS 64 HA HIS 64 -1.682 -7.650 -12.476 468 HB2 HIS 64 HB2 HIS 64 -3.709 -5.417 -12.201 469 HB3 HIS 64 HB1 HIS 64 -2.322 -5.418 -13.291 470 HD2 HIS 64 HD2 HIS 64 -5.965 -6.581 -13.306 471 HE1 HIS 64 HE1 HIS 64 -4.079 -8.623 -16.483 472 HE2 HIS 64 HE2 HIS 64 -6.319 -8.054 -15.432 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 41.982 19.607 9.768 2 H2 MET 1 HT2 MET 1 42.370 19.806 11.411 3 H3 MET 1 HT3 MET 1 40.750 19.877 10.901 4 HA MET 1 HA MET 1 41.160 17.763 11.945 5 HB2 MET 1 HB2 MET 1 41.127 17.021 9.061 6 HB3 MET 1 HB1 MET 1 40.023 16.554 10.356 7 HG2 MET 1 HG2 MET 1 39.163 18.937 10.348 8 HG3 MET 1 HG1 MET 1 40.111 19.199 8.884 9 HE1 MET 1 HE1 MET 1 37.320 19.839 9.072 10 HE2 MET 1 HE2 MET 1 36.574 18.525 9.979 11 HE3 MET 1 HE3 MET 1 36.132 18.785 8.293 12 H GLU 2 HN GLU 2 43.084 17.128 12.790 13 HA GLU 2 HA GLU 2 45.488 16.882 11.262 14 HB2 GLU 2 HB2 GLU 2 44.856 15.652 13.953 15 HB3 GLU 2 HB1 GLU 2 46.455 15.971 13.279 16 HG2 GLU 2 HG2 GLU 2 44.373 18.078 13.929 17 HG3 GLU 2 HG1 GLU 2 45.800 17.721 14.900 18 H GLU 3 HN GLU 3 46.616 14.962 10.720 19 HA GLU 3 HA GLU 3 45.560 12.356 11.049 20 HB2 GLU 3 HB2 GLU 3 44.914 11.932 8.682 21 HB3 GLU 3 HB1 GLU 3 43.838 13.073 9.490 22 HG2 GLU 3 HG2 GLU 3 45.242 14.940 8.520 23 HG3 GLU 3 HG1 GLU 3 46.078 13.721 7.560 24 H GLY 4 HN GLY 4 46.527 11.063 8.839 25 HA2 GLY 4 HA2 GLY 4 49.179 12.008 8.165 26 HA3 GLY 4 HA1 GLY 4 49.170 10.643 9.278 27 H GLY 5 HN GLY 5 49.329 8.716 8.338 28 HA2 GLY 5 HA2 GLY 5 47.904 7.329 6.652 29 HA3 GLY 5 HA1 GLY 5 48.619 8.447 5.495 30 H ASP 6 HN ASP 6 50.034 7.231 4.371 31 HA ASP 6 HA ASP 6 51.879 5.950 3.894 32 HB2 ASP 6 HB2 ASP 6 52.782 7.752 5.587 33 HB3 ASP 6 HB1 ASP 6 52.919 6.368 6.669 34 H PHE 7 HN PHE 7 49.738 4.451 4.524 35 HA PHE 7 HA PHE 7 49.998 2.672 6.692 36 HB2 PHE 7 HB2 PHE 7 48.300 2.971 4.403 37 HB3 PHE 7 HB1 PHE 7 48.806 1.286 4.525 38 HD1 PHE 7 HD1 PHE 7 47.449 4.112 6.569 39 HD2 PHE 7 HD2 PHE 7 47.800 -0.143 6.097 40 HE1 PHE 7 HE1 PHE 7 45.869 3.772 8.450 41 HE2 PHE 7 HE2 PHE 7 46.220 -0.483 7.979 42 HZ PHE 7 HZ PHE 7 45.254 1.476 9.155 43 H ASP 8 HN ASP 8 50.921 0.645 6.882 44 HA ASP 8 HA ASP 8 53.138 0.119 5.044 45 HB2 ASP 8 HB2 ASP 8 52.404 -1.098 7.716 46 HB3 ASP 8 HB1 ASP 8 53.828 -1.534 6.773 47 H ASN 9 HN ASN 9 50.206 -0.430 4.479 48 HA ASN 9 HA ASN 9 49.485 -3.074 4.547 49 HB2 ASN 9 HB2 ASN 9 48.475 -2.585 2.205 50 HB3 ASN 9 HB1 ASN 9 47.910 -1.641 3.582 51 HD21 ASN 9 HD21 ASN 9 47.364 -0.025 1.755 52 HD22 ASN 9 HD22 ASN 9 48.594 1.038 1.268 53 H TYR 10 HN TYR 10 50.738 -1.814 1.483 54 HA TYR 10 HA TYR 10 51.507 -4.139 0.307 55 HB2 TYR 10 HB2 TYR 10 52.874 -1.447 0.226 56 HB3 TYR 10 HB1 TYR 10 53.337 -2.788 -0.820 57 HD1 TYR 10 HD1 TYR 10 51.535 -3.861 -2.290 58 HD2 TYR 10 HD2 TYR 10 51.007 -0.092 -0.298 59 HE1 TYR 10 HE1 TYR 10 49.669 -3.309 -3.828 60 HE2 TYR 10 HE2 TYR 10 49.141 0.460 -1.835 61 HH TYR 10 HH TYR 10 48.052 -1.864 -4.308 62 H TYR 11 HN TYR 11 53.325 -5.460 0.254 63 HA TYR 11 HA TYR 11 55.026 -6.677 1.210 64 HB2 TYR 11 HB2 TYR 11 56.124 -4.441 0.468 65 HB3 TYR 11 HB1 TYR 11 56.172 -4.079 2.194 66 HD1 TYR 11 HD2 TYR 11 57.162 -6.636 -0.341 67 HD2 TYR 11 HD1 TYR 11 57.821 -5.039 3.592 68 HE1 TYR 11 HE2 TYR 11 59.169 -8.072 -0.093 69 HE2 TYR 11 HE1 TYR 11 59.827 -6.477 3.840 70 HH TYR 11 HH TYR 11 61.387 -7.894 1.368 71 H GLY 12 HN GLY 12 52.746 -6.454 2.822 72 HA2 GLY 12 HA2 GLY 12 53.722 -7.286 5.325 73 HA3 GLY 12 HA1 GLY 12 53.215 -5.605 5.462 74 H ALA 13 HN ALA 13 51.125 -5.957 3.399 75 HA ALA 13 HA ALA 13 49.086 -7.111 5.161 76 HB1 ALA 13 HB1 ALA 13 48.248 -5.090 4.463 77 HB2 ALA 13 HB2 ALA 13 47.638 -6.104 3.156 78 HB3 ALA 13 HB3 ALA 13 49.101 -5.148 2.920 79 H ASP 14 HN ASP 14 50.717 -7.694 2.152 80 HA ASP 14 HA ASP 14 48.891 -9.942 1.560 81 HB2 ASP 14 HB2 ASP 14 49.662 -9.823 -0.721 82 HB3 ASP 14 HB1 ASP 14 49.190 -8.201 -0.217 83 H ASN 15 HN ASN 15 52.024 -9.106 2.632 84 HA ASN 15 HA ASN 15 53.655 -11.142 1.716 85 HB2 ASN 15 HB2 ASN 15 53.573 -9.420 4.109 86 HB3 ASN 15 HB1 ASN 15 54.472 -10.923 4.307 87 HD21 ASN 15 HD21 ASN 15 55.919 -11.376 2.163 88 HD22 ASN 15 HD22 ASN 15 56.821 -10.033 1.649 89 H GLN 16 HN GLN 16 50.895 -11.362 3.739 90 HA GLN 16 HA GLN 16 51.638 -13.952 4.856 91 HB2 GLN 16 HB2 GLN 16 49.770 -13.752 6.231 92 HB3 GLN 16 HB1 GLN 16 50.229 -12.065 5.998 93 HG2 GLN 16 HG2 GLN 16 48.631 -12.160 3.942 94 HG3 GLN 16 HG1 GLN 16 47.971 -13.595 4.725 95 HE21 GLN 16 HE21 GLN 16 48.717 -10.138 5.417 96 HE22 GLN 16 HE22 GLN 16 47.451 -9.939 6.529 97 H SER 17 HN SER 17 49.823 -12.634 2.209 98 HA SER 17 HA SER 17 48.285 -15.020 1.695 99 HB2 SER 17 HB2 SER 17 47.691 -13.860 -0.420 100 HB3 SER 17 HB1 SER 17 47.411 -12.858 1.001 101 HG SER 17 HG SER 17 49.298 -11.759 0.567 102 H GLU 18 HN GLU 18 51.084 -13.440 0.151 103 HA GLU 18 HA GLU 18 51.559 -15.208 -1.913 104 HB2 GLU 18 HB2 GLU 18 53.833 -14.445 -1.904 105 HB3 GLU 18 HB1 GLU 18 52.828 -13.084 -1.405 106 HG2 GLU 18 HG2 GLU 18 54.304 -12.950 0.325 107 HG3 GLU 18 HG1 GLU 18 53.322 -14.245 1.006 108 H CYS 19 HN CYS 19 51.635 -15.853 1.418 109 HA CYS 19 HA CYS 19 53.616 -17.897 1.490 110 HB2 CYS 19 HB2 CYS 19 52.623 -16.672 3.480 111 HB3 CYS 19 HB1 CYS 19 51.195 -17.689 3.285 112 HG CYS 19 HG CYS 19 53.120 -19.729 3.440 113 H GLU 20 HN GLU 20 50.252 -17.807 0.564 114 HA GLU 20 HA GLU 20 50.100 -20.732 0.435 115 HB2 GLU 20 HB2 GLU 20 47.794 -20.499 0.280 116 HB3 GLU 20 HB1 GLU 20 48.220 -19.095 1.259 117 HG2 GLU 20 HG2 GLU 20 48.438 -17.859 -1.021 118 HG3 GLU 20 HG1 GLU 20 47.493 -19.202 -1.661 119 H TYR 21 HN TYR 21 51.525 -18.575 -1.408 120 HA TYR 21 HA TYR 21 50.377 -18.982 -3.992 121 HB2 TYR 21 HB2 TYR 21 51.891 -17.070 -3.300 122 HB3 TYR 21 HB1 TYR 21 53.234 -18.210 -3.382 123 HD1 TYR 21 HD2 TYR 21 53.640 -19.461 -5.571 124 HD2 TYR 21 HD1 TYR 21 51.021 -16.070 -5.263 125 HE1 TYR 21 HE2 TYR 21 53.760 -19.144 -8.028 126 HE2 TYR 21 HE1 TYR 21 51.140 -15.754 -7.720 127 HH TYR 21 HH TYR 21 52.790 -18.088 -9.794 128 H THR 22 HN THR 22 53.172 -20.393 -2.301 129 HA THR 22 HA THR 22 53.986 -22.105 -4.392 130 HB THR 22 HB THR 22 55.273 -23.273 -2.694 131 HG1 THR 22 HG1 THR 22 54.198 -23.516 -0.904 132 HG21 THR 22 HG21 THR 22 55.295 -20.454 -3.120 133 HG22 THR 22 HG22 THR 22 56.649 -21.499 -2.689 134 HG23 THR 22 HG23 THR 22 55.678 -20.744 -1.423 135 H ASP 23 HN ASP 23 51.435 -22.321 -2.046 136 HA ASP 23 HA ASP 23 50.999 -25.168 -2.576 137 HB2 ASP 23 HB2 ASP 23 50.651 -24.712 -0.312 138 HB3 ASP 23 HB1 ASP 23 49.852 -23.176 -0.642 139 H TRP 24 HN TRP 24 49.448 -22.029 -3.105 140 HA TRP 24 HA TRP 24 46.994 -22.751 -4.100 141 HB2 TRP 24 HB2 TRP 24 47.403 -20.443 -3.960 142 HB3 TRP 24 HB1 TRP 24 48.895 -20.558 -4.893 143 HD1 TRP 24 HD1 TRP 24 45.115 -21.201 -5.434 144 HE1 TRP 24 HE1 TRP 24 44.531 -20.538 -7.855 145 HE3 TRP 24 HE3 TRP 24 49.748 -19.886 -7.130 146 HZ2 TRP 24 HZ2 TRP 24 45.855 -19.577 -10.203 147 HZ3 TRP 24 HZ3 TRP 24 50.058 -19.100 -9.459 148 HH2 TRP 24 HH2 TRP 24 48.119 -18.944 -10.997 149 H LYS 25 HN LYS 25 50.000 -22.456 -6.004 150 HA LYS 25 HA LYS 25 49.095 -23.189 -8.488 151 HB2 LYS 25 HB2 LYS 25 51.681 -24.051 -7.174 152 HB3 LYS 25 HB1 LYS 25 51.352 -24.099 -8.907 153 HG2 LYS 25 HG2 LYS 25 50.910 -21.634 -8.836 154 HG3 LYS 25 HG1 LYS 25 51.412 -21.635 -7.145 155 HD2 LYS 25 HD2 LYS 25 53.557 -21.469 -7.793 156 HD3 LYS 25 HD1 LYS 25 53.412 -23.021 -8.621 157 HE2 LYS 25 HE2 LYS 25 52.491 -21.849 -10.610 158 HE3 LYS 25 HE1 LYS 25 52.723 -20.307 -9.786 159 HZ1 LYS 25 HZ1 LYS 25 54.982 -22.171 -10.050 160 HZ2 LYS 25 HZ2 LYS 25 54.995 -20.478 -9.904 161 HZ3 LYS 25 HZ3 LYS 25 54.542 -21.203 -11.373 162 H SER 26 HN SER 26 49.604 -25.224 -5.687 163 HA SER 26 HA SER 26 49.127 -27.669 -7.209 164 HB2 SER 26 HB2 SER 26 49.987 -27.013 -4.432 165 HB3 SER 26 HB1 SER 26 49.178 -28.555 -4.698 166 HG SER 26 HG SER 26 50.854 -28.340 -6.660 167 H SER 27 HN SER 27 47.589 -25.882 -4.532 168 HA SER 27 HA SER 27 45.216 -27.553 -4.680 169 HB2 SER 27 HB2 SER 27 46.131 -25.299 -2.932 170 HB3 SER 27 HB1 SER 27 44.422 -25.726 -2.975 171 HG SER 27 HG SER 27 46.147 -26.855 -1.501 172 H GLY 28 HN GLY 28 46.197 -25.568 -6.847 173 HA2 GLY 28 HA2 GLY 28 43.570 -24.258 -7.246 174 HA3 GLY 28 HA1 GLY 28 45.084 -23.444 -7.627 175 H ALA 29 HN ALA 29 44.396 -26.855 -8.183 176 HA ALA 29 HA ALA 29 44.094 -26.385 -11.061 177 HB1 ALA 29 HB1 ALA 29 46.574 -26.802 -10.301 178 HB2 ALA 29 HB2 ALA 29 45.938 -27.629 -11.722 179 HB3 ALA 29 HB3 ALA 29 46.046 -28.480 -10.181 180 H LEU 30 HN LEU 30 43.157 -27.924 -8.279 181 HA LEU 30 HA LEU 30 41.683 -29.947 -9.826 182 HB2 LEU 30 HB2 LEU 30 42.055 -31.552 -7.900 183 HB3 LEU 30 HB1 LEU 30 43.470 -31.230 -8.902 184 HG LEU 30 HG LEU 30 43.284 -29.272 -6.775 185 HD11 LEU 30 HD11 LEU 30 43.447 -32.180 -5.923 186 HD12 LEU 30 HD12 LEU 30 42.084 -31.108 -5.601 187 HD13 LEU 30 HD13 LEU 30 43.657 -30.778 -4.876 188 HD21 LEU 30 HD21 LEU 30 45.579 -30.108 -6.337 189 HD22 LEU 30 HD22 LEU 30 45.317 -29.808 -8.055 190 HD23 LEU 30 HD23 LEU 30 45.286 -31.458 -7.434 191 H ILE 31 HN ILE 31 41.987 -27.995 -6.914 192 HA ILE 31 HA ILE 31 39.434 -28.734 -5.843 193 HB ILE 31 HB ILE 31 40.782 -26.159 -5.134 194 HG12 ILE 31 HG12 ILE 31 41.838 -28.948 -4.727 195 HG13 ILE 31 HG11 ILE 31 42.719 -27.484 -5.162 196 HG21 ILE 31 HG21 ILE 31 38.613 -27.194 -4.121 197 HG22 ILE 31 HG22 ILE 31 39.842 -26.570 -3.020 198 HG23 ILE 31 HG23 ILE 31 39.718 -28.305 -3.309 199 HD11 ILE 31 HD11 ILE 31 41.666 -28.317 -2.467 200 HD12 ILE 31 HD12 ILE 31 41.963 -26.615 -2.824 201 HD13 ILE 31 HD13 ILE 31 43.288 -27.777 -2.901 202 HA PRO 32 HA PRO 32 38.301 -24.397 -7.835 203 HB2 PRO 32 HB2 PRO 32 39.689 -24.711 -10.431 204 HB3 PRO 32 HB1 PRO 32 39.560 -23.284 -9.387 205 HG2 PRO 32 HG2 PRO 32 41.839 -24.668 -9.644 206 HG3 PRO 32 HG1 PRO 32 41.375 -23.871 -8.130 207 HD2 PRO 32 HD2 PRO 32 41.274 -26.776 -8.843 208 HD3 PRO 32 HD1 PRO 32 41.640 -26.010 -7.283 209 H ALA 33 HN ALA 33 38.894 -27.338 -9.689 210 HA ALA 33 HA ALA 33 36.887 -27.165 -11.606 211 HB1 ALA 33 HB1 ALA 33 36.948 -29.854 -10.764 212 HB2 ALA 33 HB2 ALA 33 38.575 -29.224 -10.506 213 HB3 ALA 33 HB3 ALA 33 37.837 -29.130 -12.105 214 H ILE 34 HN ILE 34 36.573 -29.214 -8.708 215 HA ILE 34 HA ILE 34 33.838 -29.552 -8.780 216 HB ILE 34 HB ILE 34 35.848 -29.540 -6.561 217 HG12 ILE 34 HG12 ILE 34 35.233 -31.423 -8.324 218 HG13 ILE 34 HG11 ILE 34 35.570 -31.844 -6.647 219 HG21 ILE 34 HG21 ILE 34 32.844 -29.557 -6.271 220 HG22 ILE 34 HG22 ILE 34 34.036 -28.647 -5.341 221 HG23 ILE 34 HG23 ILE 34 33.877 -30.386 -5.106 222 HD11 ILE 34 HD11 ILE 34 33.438 -32.837 -7.733 223 HD12 ILE 34 HD12 ILE 34 32.761 -31.219 -7.556 224 HD13 ILE 34 HD13 ILE 34 33.282 -32.119 -6.132 225 H TYR 35 HN TYR 35 35.660 -26.961 -7.167 226 HA TYR 35 HA TYR 35 33.572 -25.606 -5.947 227 HB2 TYR 35 HB2 TYR 35 36.294 -24.998 -6.773 228 HB3 TYR 35 HB1 TYR 35 35.238 -23.591 -6.911 229 HD1 TYR 35 HD1 TYR 35 36.564 -26.156 -4.598 230 HD2 TYR 35 HD2 TYR 35 34.250 -22.557 -4.965 231 HE1 TYR 35 HE1 TYR 35 36.624 -25.869 -2.136 232 HE2 TYR 35 HE2 TYR 35 34.308 -22.268 -2.503 233 HH TYR 35 HH TYR 35 35.505 -22.948 -0.602 234 H MET 36 HN MET 36 34.993 -24.692 -9.095 235 HA MET 36 HA MET 36 32.909 -22.951 -9.832 236 HB2 MET 36 HB2 MET 36 35.170 -24.288 -11.232 237 HB3 MET 36 HB1 MET 36 33.870 -23.635 -12.231 238 HG2 MET 36 HG2 MET 36 35.233 -22.032 -10.056 239 HG3 MET 36 HG1 MET 36 35.767 -22.017 -11.737 240 HE1 MET 36 HE1 MET 36 34.598 -19.603 -9.741 241 HE2 MET 36 HE2 MET 36 33.475 -20.794 -9.092 242 HE3 MET 36 HE3 MET 36 32.853 -19.344 -9.877 243 H LEU 37 HN LEU 37 33.585 -26.260 -10.992 244 HA LEU 37 HA LEU 37 31.427 -26.685 -12.616 245 HB2 LEU 37 HB2 LEU 37 33.311 -28.306 -12.027 246 HB3 LEU 37 HB1 LEU 37 32.339 -28.765 -10.628 247 HG LEU 37 HG LEU 37 30.482 -28.854 -12.650 248 HD11 LEU 37 HD11 LEU 37 33.064 -29.990 -13.760 249 HD12 LEU 37 HD12 LEU 37 32.347 -28.471 -14.295 250 HD13 LEU 37 HD13 LEU 37 31.484 -29.989 -14.544 251 HD21 LEU 37 HD21 LEU 37 30.818 -30.550 -10.906 252 HD22 LEU 37 HD22 LEU 37 32.319 -31.068 -11.677 253 HD23 LEU 37 HD23 LEU 37 30.775 -31.319 -12.493 254 H VAL 38 HN VAL 38 31.441 -26.331 -9.166 255 HA VAL 38 HA VAL 38 28.631 -27.199 -8.991 256 HB VAL 38 HB VAL 38 30.722 -26.636 -6.881 257 HG11 VAL 38 HG11 VAL 38 27.745 -27.031 -6.700 258 HG12 VAL 38 HG12 VAL 38 28.766 -25.888 -5.828 259 HG13 VAL 38 HG13 VAL 38 28.789 -27.598 -5.396 260 HG21 VAL 38 HG21 VAL 38 29.150 -29.158 -7.469 261 HG22 VAL 38 HG22 VAL 38 30.573 -28.991 -6.442 262 HG23 VAL 38 HG23 VAL 38 30.723 -28.826 -8.191 263 H PHE 39 HN PHE 39 30.696 -24.400 -8.830 264 HA PHE 39 HA PHE 39 28.828 -22.655 -7.551 265 HB2 PHE 39 HB2 PHE 39 31.400 -22.386 -7.870 266 HB3 PHE 39 HB1 PHE 39 30.963 -21.699 -9.435 267 HD1 PHE 39 HD1 PHE 39 29.636 -19.630 -9.581 268 HD2 PHE 39 HD2 PHE 39 30.850 -21.252 -5.793 269 HE1 PHE 39 HE1 PHE 39 29.075 -17.480 -8.481 270 HE2 PHE 39 HE2 PHE 39 30.289 -19.102 -4.692 271 HZ PHE 39 HZ PHE 39 29.401 -17.215 -6.036 272 H LEU 40 HN LEU 40 29.917 -22.858 -10.950 273 HA LEU 40 HA LEU 40 27.980 -21.089 -11.975 274 HB2 LEU 40 HB2 LEU 40 28.533 -22.074 -14.171 275 HB3 LEU 40 HB1 LEU 40 29.984 -21.706 -13.238 276 HG LEU 40 HG LEU 40 29.404 -24.279 -12.431 277 HD11 LEU 40 HD11 LEU 40 29.032 -24.224 -15.431 278 HD12 LEU 40 HD12 LEU 40 27.662 -24.249 -14.321 279 HD13 LEU 40 HD13 LEU 40 28.814 -25.585 -14.331 280 HD21 LEU 40 HD21 LEU 40 31.263 -24.871 -14.098 281 HD22 LEU 40 HD22 LEU 40 31.632 -23.594 -12.939 282 HD23 LEU 40 HD23 LEU 40 31.205 -23.182 -14.599 283 H LEU 41 HN LEU 41 27.930 -24.571 -11.419 284 HA LEU 41 HA LEU 41 25.692 -25.337 -12.845 285 HB2 LEU 41 HB2 LEU 41 27.253 -26.404 -10.718 286 HB3 LEU 41 HB1 LEU 41 25.555 -26.581 -10.276 287 HG LEU 41 HG LEU 41 26.744 -27.431 -12.934 288 HD11 LEU 41 HD11 LEU 41 25.915 -29.719 -11.765 289 HD12 LEU 41 HD12 LEU 41 26.369 -28.810 -10.323 290 HD13 LEU 41 HD13 LEU 41 27.559 -29.105 -11.590 291 HD21 LEU 41 HD21 LEU 41 24.599 -27.577 -13.610 292 HD22 LEU 41 HD22 LEU 41 24.061 -26.947 -12.052 293 HD23 LEU 41 HD23 LEU 41 24.261 -28.685 -12.279 294 H GLY 42 HN GLY 42 25.534 -24.682 -9.345 295 HA2 GLY 42 HA2 GLY 42 22.757 -24.349 -9.235 296 HA3 GLY 42 HA1 GLY 42 23.895 -23.722 -8.047 297 H THR 43 HN THR 43 25.258 -21.794 -9.162 298 HA THR 43 HA THR 43 23.646 -19.567 -9.237 299 HB THR 43 HB THR 43 26.330 -20.084 -10.512 300 HG1 THR 43 HG1 THR 43 26.139 -18.225 -8.568 301 HG21 THR 43 HG21 THR 43 25.510 -18.317 -11.839 302 HG22 THR 43 HG22 THR 43 26.387 -17.495 -10.549 303 HG23 THR 43 HG23 THR 43 24.627 -17.598 -10.492 304 H THR 44 HN THR 44 23.878 -21.993 -11.588 305 HA THR 44 HA THR 44 22.719 -20.238 -13.668 306 HB THR 44 HB THR 44 24.074 -22.931 -13.946 307 HG1 THR 44 HG1 THR 44 25.256 -20.825 -13.505 308 HG21 THR 44 HG21 THR 44 23.983 -22.093 -16.428 309 HG22 THR 44 HG22 THR 44 22.639 -21.109 -15.850 310 HG23 THR 44 HG23 THR 44 22.566 -22.867 -15.721 311 H GLY 45 HN GLY 45 22.215 -23.039 -11.667 312 HA2 GLY 45 HA2 GLY 45 19.730 -23.717 -13.088 313 HA3 GLY 45 HA1 GLY 45 20.526 -24.708 -11.868 314 H ASN 46 HN ASN 46 20.726 -21.733 -10.616 315 HA ASN 46 HA ASN 46 18.215 -22.049 -9.092 316 HB2 ASN 46 HB2 ASN 46 19.361 -21.522 -7.227 317 HB3 ASN 46 HB1 ASN 46 20.806 -21.851 -8.181 318 HD21 ASN 46 HD21 ASN 46 21.740 -19.895 -9.377 319 HD22 ASN 46 HD22 ASN 46 21.570 -18.368 -8.654 320 H GLY 47 HN GLY 47 20.322 -19.628 -10.619 321 HA2 GLY 47 HA2 GLY 47 18.573 -17.421 -10.173 322 HA3 GLY 47 HA1 GLY 47 19.907 -17.471 -11.322 323 H LEU 48 HN LEU 48 19.315 -19.259 -13.150 324 HA LEU 48 HA LEU 48 17.529 -18.111 -14.885 325 HB2 LEU 48 HB2 LEU 48 19.162 -19.922 -15.452 326 HB3 LEU 48 HB1 LEU 48 18.079 -21.083 -14.688 327 HG LEU 48 HG LEU 48 16.275 -20.403 -16.272 328 HD11 LEU 48 HD11 LEU 48 18.415 -18.500 -17.127 329 HD12 LEU 48 HD12 LEU 48 16.669 -18.272 -17.062 330 HD13 LEU 48 HD13 LEU 48 17.388 -19.191 -18.384 331 HD21 LEU 48 HD21 LEU 48 17.058 -22.175 -17.416 332 HD22 LEU 48 HD22 LEU 48 18.698 -21.852 -16.855 333 HD23 LEU 48 HD23 LEU 48 18.103 -21.083 -18.326 334 H VAL 49 HN VAL 49 16.870 -20.775 -12.617 335 HA VAL 49 HA VAL 49 14.157 -21.123 -13.287 336 HB VAL 49 HB VAL 49 15.764 -21.736 -10.814 337 HG11 VAL 49 HG11 VAL 49 13.593 -23.161 -10.326 338 HG12 VAL 49 HG12 VAL 49 12.804 -21.903 -11.278 339 HG13 VAL 49 HG13 VAL 49 13.681 -21.478 -9.808 340 HG21 VAL 49 HG21 VAL 49 15.647 -22.979 -13.229 341 HG22 VAL 49 HG22 VAL 49 14.319 -23.791 -12.398 342 HG23 VAL 49 HG23 VAL 49 15.944 -23.835 -11.715 343 H LEU 50 HN LEU 50 15.248 -19.812 -10.167 344 HA LEU 50 HA LEU 50 12.964 -18.581 -9.353 345 HB2 LEU 50 HB2 LEU 50 15.840 -17.733 -9.037 346 HB3 LEU 50 HB1 LEU 50 14.523 -16.828 -8.289 347 HG LEU 50 HG LEU 50 14.538 -19.791 -7.923 348 HD11 LEU 50 HD11 LEU 50 16.570 -17.882 -6.811 349 HD12 LEU 50 HD12 LEU 50 16.777 -19.555 -7.328 350 HD13 LEU 50 HD13 LEU 50 15.987 -19.198 -5.793 351 HD21 LEU 50 HD21 LEU 50 13.517 -19.208 -5.822 352 HD22 LEU 50 HD22 LEU 50 12.774 -18.182 -7.049 353 HD23 LEU 50 HD23 LEU 50 14.013 -17.523 -5.982 354 H TRP 51 HN TRP 51 15.147 -17.507 -11.864 355 HA TRP 51 HA TRP 51 14.060 -14.864 -12.109 356 HB2 TRP 51 HB2 TRP 51 16.305 -15.315 -12.909 357 HB3 TRP 51 HB1 TRP 51 15.703 -16.552 -14.012 358 HD1 TRP 51 HD1 TRP 51 15.929 -12.789 -13.548 359 HE1 TRP 51 HE1 TRP 51 15.246 -11.628 -15.745 360 HE3 TRP 51 HE3 TRP 51 14.224 -16.817 -16.180 361 HZ2 TRP 51 HZ2 TRP 51 14.125 -12.316 -18.285 362 HZ3 TRP 51 HZ3 TRP 51 13.354 -16.538 -18.485 363 HH2 TRP 51 HH2 TRP 51 13.304 -14.294 -19.539 364 H THR 52 HN THR 52 13.694 -17.860 -14.014 365 HA THR 52 HA THR 52 11.712 -16.805 -15.759 366 HB THR 52 HB THR 52 12.671 -19.563 -15.062 367 HG1 THR 52 HG1 THR 52 13.811 -19.017 -16.721 368 HG21 THR 52 HG21 THR 52 10.146 -18.809 -16.520 369 HG22 THR 52 HG22 THR 52 10.386 -20.064 -15.303 370 HG23 THR 52 HG23 THR 52 11.021 -20.283 -16.934 371 H VAL 53 HN VAL 53 11.443 -19.081 -13.024 372 HA VAL 53 HA VAL 53 8.743 -19.398 -12.844 373 HB VAL 53 HB VAL 53 10.855 -19.145 -10.723 374 HG11 VAL 53 HG11 VAL 53 8.948 -20.077 -9.206 375 HG12 VAL 53 HG12 VAL 53 7.868 -19.329 -10.383 376 HG13 VAL 53 HG13 VAL 53 9.024 -18.338 -9.491 377 HG21 VAL 53 HG21 VAL 53 10.711 -21.180 -12.152 378 HG22 VAL 53 HG22 VAL 53 9.046 -21.412 -11.621 379 HG23 VAL 53 HG23 VAL 53 10.368 -21.536 -10.459 380 H PHE 54 HN PHE 54 10.627 -16.601 -11.786 381 HA PHE 54 HA PHE 54 8.513 -15.224 -10.491 382 HB2 PHE 54 HB2 PHE 54 11.248 -14.605 -11.419 383 HB3 PHE 54 HB1 PHE 54 10.149 -13.224 -11.372 384 HD1 PHE 54 HD1 PHE 54 10.283 -16.275 -9.208 385 HD2 PHE 54 HD2 PHE 54 10.712 -12.008 -9.441 386 HE1 PHE 54 HE1 PHE 54 10.524 -16.165 -6.742 387 HE2 PHE 54 HE2 PHE 54 10.953 -11.897 -6.975 388 HZ PHE 54 HZ PHE 54 10.859 -13.975 -5.625 389 H ARG 55 HN ARG 55 9.895 -14.852 -13.765 390 HA ARG 55 HA ARG 55 7.871 -12.992 -14.591 391 HB2 ARG 55 HB2 ARG 55 10.098 -14.482 -15.931 392 HB3 ARG 55 HB1 ARG 55 8.833 -13.770 -16.932 393 HG2 ARG 55 HG2 ARG 55 9.452 -11.616 -16.427 394 HG3 ARG 55 HG1 ARG 55 9.958 -12.035 -14.790 395 HD2 ARG 55 HD2 ARG 55 11.528 -13.074 -17.128 396 HD3 ARG 55 HD1 ARG 55 11.768 -11.414 -16.590 397 HE ARG 55 HE ARG 55 12.712 -13.760 -15.271 398 HH11 ARG 55 HH21 ARG 55 11.389 -10.604 -14.762 399 HH12 ARG 55 HH22 ARG 55 12.118 -10.398 -13.204 400 HH21 ARG 55 HH11 ARG 55 13.667 -13.501 -13.226 401 HH22 ARG 55 HH12 ARG 55 13.408 -12.038 -12.334 402 H LYS 56 HN LYS 56 7.891 -16.285 -14.047 403 HA LYS 56 HA LYS 56 5.969 -17.002 -16.106 404 HB2 LYS 56 HB2 LYS 56 7.838 -18.502 -15.085 405 HB3 LYS 56 HB1 LYS 56 6.706 -18.710 -13.749 406 HG2 LYS 56 HG2 LYS 56 5.936 -20.425 -15.042 407 HG3 LYS 56 HG1 LYS 56 5.036 -19.128 -15.830 408 HD2 LYS 56 HD2 LYS 56 6.944 -18.849 -17.430 409 HD3 LYS 56 HD1 LYS 56 7.711 -20.258 -16.697 410 HE2 LYS 56 HE2 LYS 56 4.925 -20.311 -17.884 411 HE3 LYS 56 HE1 LYS 56 6.372 -20.763 -18.786 412 HZ1 LYS 56 HZ1 LYS 56 4.962 -22.206 -16.730 413 HZ2 LYS 56 HZ2 LYS 56 6.644 -22.162 -16.500 414 HZ3 LYS 56 HZ3 LYS 56 5.998 -22.782 -17.944 415 H LYS 57 HN LYS 57 6.079 -16.880 -12.548 416 HA LYS 57 HA LYS 57 3.285 -17.360 -12.240 417 HB2 LYS 57 HB2 LYS 57 3.648 -17.001 -9.907 418 HB3 LYS 57 HB1 LYS 57 5.093 -17.805 -10.514 419 HG2 LYS 57 HG2 LYS 57 6.211 -16.124 -9.487 420 HG3 LYS 57 HG1 LYS 57 5.743 -15.166 -10.887 421 HD2 LYS 57 HD2 LYS 57 3.560 -14.684 -9.574 422 HD3 LYS 57 HD1 LYS 57 4.447 -15.270 -8.167 423 HE2 LYS 57 HE2 LYS 57 6.215 -13.599 -8.581 424 HE3 LYS 57 HE1 LYS 57 5.328 -13.009 -9.987 425 HZ1 LYS 57 HZ1 LYS 57 4.477 -11.598 -8.476 426 HZ2 LYS 57 HZ2 LYS 57 4.794 -12.622 -7.158 427 HZ3 LYS 57 HZ3 LYS 57 3.432 -12.889 -8.137 428 H GLY 58 HN GLY 58 5.202 -14.544 -12.836 429 HA2 GLY 58 HA2 GLY 58 3.239 -12.640 -11.903 430 HA3 GLY 58 HA1 GLY 58 4.702 -12.277 -12.813 431 H HIS 59 HN HIS 59 4.010 -14.268 -14.897 432 HA HIS 59 HA HIS 59 2.746 -12.584 -16.740 433 HB2 HIS 59 HB2 HIS 59 3.546 -14.176 -18.094 434 HB3 HIS 59 HB1 HIS 59 3.832 -15.237 -16.714 435 HD2 HIS 59 HD2 HIS 59 1.988 -17.324 -16.450 436 HE1 HIS 59 HE1 HIS 59 -0.635 -16.107 -19.526 437 HE2 HIS 59 HE2 HIS 59 -0.110 -17.958 -17.869 438 H HIS 60 HN HIS 60 1.414 -14.422 -14.205 439 HA HIS 60 HA HIS 60 -1.194 -14.790 -15.421 440 HB2 HIS 60 HB2 HIS 60 -0.348 -16.419 -13.783 441 HB3 HIS 60 HB1 HIS 60 -0.286 -15.154 -12.555 442 HD2 HIS 60 HD2 HIS 60 -3.393 -15.475 -14.965 443 HE1 HIS 60 HE1 HIS 60 -4.635 -16.449 -11.049 444 HE2 HIS 60 HE2 HIS 60 -5.427 -16.037 -13.426 445 H HIS 61 HN HIS 61 0.310 -12.101 -14.547 446 HA HIS 61 HA HIS 61 -1.949 -10.898 -13.095 447 HB2 HIS 61 HB2 HIS 61 0.882 -9.971 -13.604 448 HB3 HIS 61 HB1 HIS 61 -0.354 -8.938 -12.885 449 HD2 HIS 61 HD2 HIS 61 -1.630 -10.493 -10.532 450 HE1 HIS 61 HE1 HIS 61 2.157 -12.074 -9.544 451 HE2 HIS 61 HE2 HIS 61 -0.207 -11.691 -8.700 452 H HIS 62 HN HIS 62 -1.954 -8.349 -13.815 453 HA HIS 62 HA HIS 62 -3.059 -8.423 -16.488 454 HB2 HIS 62 HB2 HIS 62 -3.034 -6.519 -14.214 455 HB3 HIS 62 HB1 HIS 62 -3.185 -5.815 -15.823 456 HD2 HIS 62 HD2 HIS 62 -5.303 -7.502 -17.360 457 HE1 HIS 62 HE1 HIS 62 -7.604 -7.742 -13.829 458 HE2 HIS 62 HE2 HIS 62 -7.650 -8.041 -16.350 459 H HIS 63 HN HIS 63 -1.000 -5.872 -15.141 460 HA HIS 63 HA HIS 63 0.393 -5.698 -17.713 461 HB2 HIS 63 HB2 HIS 63 0.693 -3.871 -15.325 462 HB3 HIS 63 HB1 HIS 63 1.127 -3.539 -17.003 463 HD2 HIS 63 HD2 HIS 63 -1.249 -3.391 -18.771 464 HE1 HIS 63 HE1 HIS 63 -3.834 -2.426 -15.575 465 HE2 HIS 63 HE2 HIS 63 -3.610 -2.496 -18.104 466 H HIS 64 HN HIS 64 1.012 -7.987 -16.229 467 HA HIS 64 HA HIS 64 2.741 -9.122 -15.185 468 HB2 HIS 64 HB2 HIS 64 4.824 -8.917 -16.366 469 HB3 HIS 64 HB1 HIS 64 3.529 -8.683 -17.539 470 HD2 HIS 64 HD2 HIS 64 3.897 -6.389 -19.021 471 HE1 HIS 64 HE1 HIS 64 6.306 -4.269 -16.277 472 HE2 HIS 64 HE2 HIS 64 5.252 -4.199 -18.586 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 31.566 8.817 -25.604 2 H2 MET 1 HT2 MET 1 31.470 9.762 -24.196 3 H3 MET 1 HT3 MET 1 30.534 8.352 -24.342 4 HA MET 1 HA MET 1 32.284 6.951 -23.966 5 HB2 MET 1 HB2 MET 1 34.689 7.977 -24.162 6 HB3 MET 1 HB1 MET 1 33.820 7.536 -25.632 7 HG2 MET 1 HG2 MET 1 33.378 9.742 -26.201 8 HG3 MET 1 HG1 MET 1 33.454 10.296 -24.529 9 HE1 MET 1 HE1 MET 1 36.648 10.263 -27.665 10 HE2 MET 1 HE2 MET 1 34.947 10.721 -27.710 11 HE3 MET 1 HE3 MET 1 35.392 9.019 -27.614 12 H GLU 2 HN GLU 2 32.965 6.564 -21.912 13 HA GLU 2 HA GLU 2 32.545 8.638 -19.940 14 HB2 GLU 2 HB2 GLU 2 32.269 5.909 -19.918 15 HB3 GLU 2 HB1 GLU 2 33.782 6.130 -19.038 16 HG2 GLU 2 HG2 GLU 2 32.067 6.262 -17.389 17 HG3 GLU 2 HG1 GLU 2 32.564 7.927 -17.686 18 H GLU 3 HN GLU 3 34.435 7.994 -18.016 19 HA GLU 3 HA GLU 3 37.108 8.028 -18.962 20 HB2 GLU 3 HB2 GLU 3 36.136 10.352 -19.630 21 HB3 GLU 3 HB1 GLU 3 36.280 10.716 -17.910 22 HG2 GLU 3 HG2 GLU 3 38.670 10.090 -17.982 23 HG3 GLU 3 HG1 GLU 3 38.525 9.753 -19.706 24 H GLY 4 HN GLY 4 38.631 8.086 -17.262 25 HA2 GLY 4 HA2 GLY 4 38.489 8.821 -14.684 26 HA3 GLY 4 HA1 GLY 4 37.512 7.356 -14.678 27 H GLY 5 HN GLY 5 40.455 8.385 -13.911 28 HA2 GLY 5 HA2 GLY 5 41.640 5.857 -13.713 29 HA3 GLY 5 HA1 GLY 5 42.253 6.611 -15.181 30 H ASP 6 HN ASP 6 41.507 7.764 -11.883 31 HA ASP 6 HA ASP 6 44.303 8.554 -11.532 32 HB2 ASP 6 HB2 ASP 6 41.993 10.501 -11.344 33 HB3 ASP 6 HB1 ASP 6 43.648 10.841 -10.840 34 H PHE 7 HN PHE 7 42.988 6.478 -10.275 35 HA PHE 7 HA PHE 7 42.218 7.499 -7.627 36 HB2 PHE 7 HB2 PHE 7 42.060 4.697 -8.763 37 HB3 PHE 7 HB1 PHE 7 41.436 5.213 -7.197 38 HD1 PHE 7 HD1 PHE 7 39.643 7.017 -7.123 39 HD2 PHE 7 HD2 PHE 7 40.801 5.025 -10.748 40 HE1 PHE 7 HE1 PHE 7 37.535 7.754 -8.203 41 HE2 PHE 7 HE2 PHE 7 38.694 5.762 -11.827 42 HZ PHE 7 HZ PHE 7 37.060 7.126 -10.554 43 H ASP 8 HN ASP 8 42.915 5.476 -5.981 44 HA ASP 8 HA ASP 8 45.731 5.911 -5.630 45 HB2 ASP 8 HB2 ASP 8 43.842 4.053 -4.166 46 HB3 ASP 8 HB1 ASP 8 45.469 4.484 -3.644 47 H ASN 9 HN ASN 9 44.535 4.271 -7.970 48 HA ASN 9 HA ASN 9 45.265 1.593 -7.787 49 HB2 ASN 9 HB2 ASN 9 45.526 1.685 -10.255 50 HB3 ASN 9 HB1 ASN 9 44.043 2.459 -9.702 51 HD21 ASN 9 HD21 ASN 9 44.846 3.300 -12.163 52 HD22 ASN 9 HD22 ASN 9 45.571 4.833 -12.088 53 H TYR 10 HN TYR 10 47.146 0.691 -9.233 54 HA TYR 10 HA TYR 10 49.404 0.199 -9.092 55 HB2 TYR 10 HB2 TYR 10 49.037 2.082 -10.878 56 HB3 TYR 10 HB1 TYR 10 49.887 3.094 -9.710 57 HD1 TYR 10 HD1 TYR 10 50.147 -0.162 -11.536 58 HD2 TYR 10 HD2 TYR 10 52.235 3.040 -9.575 59 HE1 TYR 10 HE1 TYR 10 52.311 -1.116 -12.282 60 HE2 TYR 10 HE2 TYR 10 54.399 2.086 -10.322 61 HH TYR 10 HH TYR 10 55.157 -0.443 -10.993 62 H TYR 11 HN TYR 11 48.207 1.009 -6.592 63 HA TYR 11 HA TYR 11 50.546 1.328 -5.028 64 HB2 TYR 11 HB2 TYR 11 50.063 3.710 -6.001 65 HB3 TYR 11 HB1 TYR 11 48.772 3.738 -4.801 66 HD1 TYR 11 HD2 TYR 11 52.432 3.046 -5.168 67 HD2 TYR 11 HD1 TYR 11 49.247 4.285 -2.567 68 HE1 TYR 11 HE2 TYR 11 54.086 3.581 -3.399 69 HE2 TYR 11 HE1 TYR 11 50.900 4.820 -0.797 70 HH TYR 11 HH TYR 11 53.772 5.454 -1.097 71 H GLY 12 HN GLY 12 48.344 -0.422 -5.110 72 HA2 GLY 12 HA2 GLY 12 47.729 -1.047 -2.594 73 HA3 GLY 12 HA1 GLY 12 46.601 0.276 -2.876 74 H ALA 13 HN ALA 13 47.591 -1.886 -5.430 75 HA ALA 13 HA ALA 13 44.943 -3.204 -5.346 76 HB1 ALA 13 HB1 ALA 13 45.416 -3.226 -7.976 77 HB2 ALA 13 HB2 ALA 13 46.300 -1.758 -7.565 78 HB3 ALA 13 HB3 ALA 13 44.583 -1.887 -7.188 79 H ASP 14 HN ASP 14 48.366 -3.408 -5.979 80 HA ASP 14 HA ASP 14 48.155 -6.221 -6.779 81 HB2 ASP 14 HB2 ASP 14 50.362 -4.184 -6.795 82 HB3 ASP 14 HB1 ASP 14 50.735 -5.902 -6.908 83 H ASN 15 HN ASN 15 49.111 -4.204 -4.095 84 HA ASN 15 HA ASN 15 50.716 -5.878 -2.598 85 HB2 ASN 15 HB2 ASN 15 48.609 -3.883 -1.798 86 HB3 ASN 15 HB1 ASN 15 49.532 -4.774 -0.590 87 HD21 ASN 15 HD21 ASN 15 49.647 -2.123 -2.836 88 HD22 ASN 15 HD22 ASN 15 51.266 -1.695 -2.561 89 H GLN 16 HN GLN 16 47.293 -6.112 -3.231 90 HA GLN 16 HA GLN 16 46.931 -8.209 -1.224 91 HB2 GLN 16 HB2 GLN 16 44.560 -8.189 -2.119 92 HB3 GLN 16 HB1 GLN 16 45.102 -6.678 -1.389 93 HG2 GLN 16 HG2 GLN 16 45.758 -6.817 -4.228 94 HG3 GLN 16 HG1 GLN 16 44.026 -6.964 -3.941 95 HE21 GLN 16 HE21 GLN 16 46.756 -4.962 -2.659 96 HE22 GLN 16 HE22 GLN 16 45.871 -3.513 -2.661 97 H SER 17 HN SER 17 47.399 -7.823 -4.651 98 HA SER 17 HA SER 17 46.490 -10.440 -5.396 99 HB2 SER 17 HB2 SER 17 47.364 -9.930 -7.569 100 HB3 SER 17 HB1 SER 17 46.643 -8.450 -6.943 101 HG SER 17 HG SER 17 49.297 -9.102 -7.420 102 H GLU 18 HN GLU 18 49.572 -9.010 -4.477 103 HA GLU 18 HA GLU 18 51.290 -11.082 -5.266 104 HB2 GLU 18 HB2 GLU 18 51.394 -8.855 -3.304 105 HB3 GLU 18 HB1 GLU 18 52.542 -10.173 -3.066 106 HG2 GLU 18 HG2 GLU 18 53.366 -9.928 -5.343 107 HG3 GLU 18 HG1 GLU 18 52.147 -8.701 -5.684 108 H CYS 19 HN CYS 19 50.555 -10.459 -1.853 109 HA CYS 19 HA CYS 19 51.215 -12.880 -0.794 110 HB2 CYS 19 HB2 CYS 19 48.809 -11.230 0.014 111 HB3 CYS 19 HB1 CYS 19 49.644 -12.413 1.021 112 HG CYS 19 HG CYS 19 51.534 -10.808 1.394 113 H GLU 20 HN GLU 20 48.410 -12.127 -2.719 114 HA GLU 20 HA GLU 20 47.084 -14.646 -2.097 115 HB2 GLU 20 HB2 GLU 20 45.791 -12.553 -2.504 116 HB3 GLU 20 HB1 GLU 20 46.370 -12.558 -4.170 117 HG2 GLU 20 HG2 GLU 20 44.724 -13.976 -4.737 118 HG3 GLU 20 HG1 GLU 20 45.359 -15.163 -3.598 119 H TYR 21 HN TYR 21 49.120 -13.262 -4.572 120 HA TYR 21 HA TYR 21 48.623 -15.185 -6.607 121 HB2 TYR 21 HB2 TYR 21 49.644 -13.193 -7.332 122 HB3 TYR 21 HB1 TYR 21 50.860 -13.248 -6.056 123 HD1 TYR 21 HD2 TYR 21 52.720 -14.891 -6.156 124 HD2 TYR 21 HD1 TYR 21 49.896 -14.469 -9.366 125 HE1 TYR 21 HE2 TYR 21 54.246 -16.134 -7.664 126 HE2 TYR 21 HE1 TYR 21 51.422 -15.713 -10.873 127 HH TYR 21 HH TYR 21 53.636 -17.635 -10.066 128 H THR 22 HN THR 22 50.843 -15.045 -3.878 129 HA THR 22 HA THR 22 52.322 -17.389 -4.686 130 HB THR 22 HB THR 22 53.066 -15.392 -3.154 131 HG1 THR 22 HG1 THR 22 53.640 -18.074 -2.439 132 HG21 THR 22 HG21 THR 22 52.143 -17.294 -1.012 133 HG22 THR 22 HG22 THR 22 51.089 -15.996 -1.574 134 HG23 THR 22 HG23 THR 22 52.653 -15.614 -0.852 135 H ASP 23 HN ASP 23 49.337 -16.815 -3.170 136 HA ASP 23 HA ASP 23 49.342 -19.417 -1.799 137 HB2 ASP 23 HB2 ASP 23 48.255 -16.943 -1.124 138 HB3 ASP 23 HB1 ASP 23 46.867 -17.898 -1.644 139 H TRP 24 HN TRP 24 47.293 -17.555 -4.052 140 HA TRP 24 HA TRP 24 45.421 -19.426 -4.736 141 HB2 TRP 24 HB2 TRP 24 44.987 -17.540 -5.924 142 HB3 TRP 24 HB1 TRP 24 46.696 -17.160 -6.135 143 HD1 TRP 24 HD1 TRP 24 43.946 -19.421 -7.583 144 HE1 TRP 24 HE1 TRP 24 44.599 -20.055 -9.996 145 HE3 TRP 24 HE3 TRP 24 48.607 -17.347 -7.811 146 HZ2 TRP 24 HZ2 TRP 24 46.807 -19.727 -11.784 147 HZ3 TRP 24 HZ3 TRP 24 49.961 -17.522 -9.879 148 HH2 TRP 24 HH2 TRP 24 49.069 -18.709 -11.863 149 H LYS 25 HN LYS 25 48.709 -19.147 -6.056 150 HA LYS 25 HA LYS 25 48.667 -21.068 -8.022 151 HB2 LYS 25 HB2 LYS 25 50.621 -19.605 -7.311 152 HB3 LYS 25 HB1 LYS 25 50.941 -20.801 -6.053 153 HG2 LYS 25 HG2 LYS 25 51.184 -22.556 -7.740 154 HG3 LYS 25 HG1 LYS 25 50.781 -21.412 -9.020 155 HD2 LYS 25 HD2 LYS 25 52.766 -20.029 -8.287 156 HD3 LYS 25 HD1 LYS 25 53.215 -21.359 -7.218 157 HE2 LYS 25 HE2 LYS 25 53.082 -22.852 -9.315 158 HE3 LYS 25 HE1 LYS 25 53.089 -21.347 -10.234 159 HZ1 LYS 25 HZ1 LYS 25 55.133 -22.029 -8.199 160 HZ2 LYS 25 HZ2 LYS 25 55.172 -20.750 -9.315 161 HZ3 LYS 25 HZ3 LYS 25 55.320 -22.355 -9.852 162 H SER 26 HN SER 26 48.629 -21.514 -4.554 163 HA SER 26 HA SER 26 48.827 -24.435 -4.891 164 HB2 SER 26 HB2 SER 26 49.068 -22.657 -2.460 165 HB3 SER 26 HB1 SER 26 49.024 -24.416 -2.376 166 HG SER 26 HG SER 26 51.164 -23.443 -2.498 167 H SER 27 HN SER 27 46.788 -21.905 -3.461 168 HA SER 27 HA SER 27 44.694 -23.866 -2.881 169 HB2 SER 27 HB2 SER 27 44.195 -20.981 -2.452 170 HB3 SER 27 HB1 SER 27 43.859 -22.354 -1.400 171 HG SER 27 HG SER 27 45.926 -20.668 -1.353 172 H GLY 28 HN GLY 28 45.449 -23.227 -5.646 173 HA2 GLY 28 HA2 GLY 28 42.824 -22.234 -6.588 174 HA3 GLY 28 HA1 GLY 28 44.326 -21.749 -7.368 175 H ALA 29 HN ALA 29 44.005 -24.968 -6.117 176 HA ALA 29 HA ALA 29 43.478 -26.025 -8.822 177 HB1 ALA 29 HB1 ALA 29 45.770 -26.692 -6.986 178 HB2 ALA 29 HB2 ALA 29 45.816 -26.262 -8.697 179 HB3 ALA 29 HB3 ALA 29 45.202 -27.839 -8.200 180 H LEU 30 HN LEU 30 42.068 -25.747 -6.083 181 HA LEU 30 HA LEU 30 40.947 -28.446 -6.133 182 HB2 LEU 30 HB2 LEU 30 41.016 -28.404 -3.550 183 HB3 LEU 30 HB1 LEU 30 42.496 -28.831 -4.410 184 HG LEU 30 HG LEU 30 42.157 -25.938 -3.969 185 HD11 LEU 30 HD11 LEU 30 42.815 -26.100 -1.567 186 HD12 LEU 30 HD12 LEU 30 42.533 -27.839 -1.635 187 HD13 LEU 30 HD13 LEU 30 41.191 -26.719 -1.866 188 HD21 LEU 30 HD21 LEU 30 44.379 -27.914 -3.354 189 HD22 LEU 30 HD22 LEU 30 44.532 -26.158 -3.348 190 HD23 LEU 30 HD23 LEU 30 44.211 -27.009 -4.858 191 H ILE 31 HN ILE 31 40.821 -25.123 -4.950 192 HA ILE 31 HA ILE 31 38.143 -25.299 -3.965 193 HB ILE 31 HB ILE 31 39.359 -22.706 -4.830 194 HG12 ILE 31 HG12 ILE 31 40.299 -24.523 -2.608 195 HG13 ILE 31 HG11 ILE 31 41.270 -23.681 -3.817 196 HG21 ILE 31 HG21 ILE 31 38.049 -21.826 -3.129 197 HG22 ILE 31 HG22 ILE 31 38.095 -23.315 -2.184 198 HG23 ILE 31 HG23 ILE 31 37.062 -23.206 -3.609 199 HD11 ILE 31 HD11 ILE 31 41.592 -22.290 -1.988 200 HD12 ILE 31 HD12 ILE 31 39.985 -22.605 -1.335 201 HD13 ILE 31 HD13 ILE 31 40.180 -21.529 -2.719 202 HA PRO 32 HA PRO 32 37.265 -23.168 -8.291 203 HB2 PRO 32 HB2 PRO 32 39.021 -24.836 -9.992 204 HB3 PRO 32 HB1 PRO 32 38.724 -23.090 -10.049 205 HG2 PRO 32 HG2 PRO 32 41.032 -24.120 -9.165 206 HG3 PRO 32 HG1 PRO 32 40.343 -22.628 -8.504 207 HD2 PRO 32 HD2 PRO 32 40.379 -25.375 -7.319 208 HD3 PRO 32 HD1 PRO 32 40.509 -23.797 -6.513 209 H ALA 33 HN ALA 33 38.140 -26.557 -7.876 210 HA ALA 33 HA ALA 33 36.409 -27.744 -9.721 211 HB1 ALA 33 HB1 ALA 33 36.619 -29.759 -8.398 212 HB2 ALA 33 HB2 ALA 33 37.136 -28.829 -6.991 213 HB3 ALA 33 HB3 ALA 33 38.176 -28.932 -8.411 214 H ILE 34 HN ILE 34 35.809 -27.592 -6.206 215 HA ILE 34 HA ILE 34 33.118 -28.245 -6.271 216 HB ILE 34 HB ILE 34 34.819 -26.673 -4.373 217 HG12 ILE 34 HG12 ILE 34 34.531 -29.293 -4.662 218 HG13 ILE 34 HG11 ILE 34 34.660 -28.579 -3.056 219 HG21 ILE 34 HG21 ILE 34 31.807 -26.862 -4.368 220 HG22 ILE 34 HG22 ILE 34 32.823 -25.445 -4.095 221 HG23 ILE 34 HG23 ILE 34 32.713 -26.700 -2.862 222 HD11 ILE 34 HD11 ILE 34 32.338 -28.756 -2.660 223 HD12 ILE 34 HD12 ILE 34 32.738 -30.267 -3.474 224 HD13 ILE 34 HD13 ILE 34 31.970 -28.960 -4.372 225 H TYR 35 HN TYR 35 34.656 -25.085 -6.662 226 HA TYR 35 HA TYR 35 32.318 -23.513 -6.640 227 HB2 TYR 35 HB2 TYR 35 35.124 -23.162 -7.312 228 HB3 TYR 35 HB1 TYR 35 34.074 -22.259 -8.404 229 HD1 TYR 35 HD2 TYR 35 32.550 -20.527 -7.555 230 HD2 TYR 35 HD1 TYR 35 35.200 -22.658 -4.930 231 HE1 TYR 35 HE2 TYR 35 32.151 -18.839 -5.783 232 HE2 TYR 35 HE1 TYR 35 34.802 -20.970 -3.158 233 HH TYR 35 HH TYR 35 32.386 -19.054 -2.956 234 H MET 36 HN MET 36 34.231 -24.562 -9.471 235 HA MET 36 HA MET 36 32.412 -23.785 -11.434 236 HB2 MET 36 HB2 MET 36 34.682 -25.681 -11.276 237 HB3 MET 36 HB1 MET 36 33.543 -25.947 -12.597 238 HG2 MET 36 HG2 MET 36 35.470 -24.367 -13.123 239 HG3 MET 36 HG1 MET 36 33.857 -23.727 -13.437 240 HE1 MET 36 HE1 MET 36 32.896 -21.775 -12.551 241 HE2 MET 36 HE2 MET 36 34.356 -21.237 -13.375 242 HE3 MET 36 HE3 MET 36 33.902 -20.508 -11.836 243 H LEU 37 HN LEU 37 32.833 -27.047 -10.039 244 HA LEU 37 HA LEU 37 30.790 -28.374 -11.314 245 HB2 LEU 37 HB2 LEU 37 32.495 -29.193 -9.514 246 HB3 LEU 37 HB1 LEU 37 31.212 -28.791 -8.372 247 HG LEU 37 HG LEU 37 29.754 -30.152 -10.178 248 HD11 LEU 37 HD11 LEU 37 32.399 -31.618 -10.198 249 HD12 LEU 37 HD12 LEU 37 31.925 -30.523 -11.497 250 HD13 LEU 37 HD13 LEU 37 30.959 -31.958 -11.157 251 HD21 LEU 37 HD21 LEU 37 31.379 -31.088 -7.821 252 HD22 LEU 37 HD22 LEU 37 30.368 -32.227 -8.708 253 HD23 LEU 37 HD23 LEU 37 29.639 -30.822 -7.929 254 H VAL 38 HN VAL 38 30.585 -26.142 -8.599 255 HA VAL 38 HA VAL 38 27.702 -26.554 -8.352 256 HB VAL 38 HB VAL 38 29.687 -24.855 -6.835 257 HG11 VAL 38 HG11 VAL 38 27.749 -23.529 -6.745 258 HG12 VAL 38 HG12 VAL 38 27.592 -24.546 -5.313 259 HG13 VAL 38 HG13 VAL 38 26.676 -24.928 -6.772 260 HG21 VAL 38 HG21 VAL 38 29.346 -26.406 -5.075 261 HG22 VAL 38 HG22 VAL 38 29.458 -27.413 -6.518 262 HG23 VAL 38 HG23 VAL 38 27.880 -27.050 -5.816 263 H PHE 39 HN PHE 39 29.790 -24.695 -10.205 264 HA PHE 39 HA PHE 39 28.116 -22.323 -10.346 265 HB2 PHE 39 HB2 PHE 39 30.686 -22.419 -10.607 266 HB3 PHE 39 HB1 PHE 39 30.355 -22.993 -12.242 267 HD1 PHE 39 HD2 PHE 39 29.936 -20.170 -9.886 268 HD2 PHE 39 HD1 PHE 39 29.418 -21.535 -13.925 269 HE1 PHE 39 HE2 PHE 39 29.510 -17.840 -10.618 270 HE2 PHE 39 HE1 PHE 39 28.992 -19.204 -14.658 271 HZ PHE 39 HZ PHE 39 29.038 -17.356 -13.005 272 H LEU 40 HN LEU 40 29.153 -24.859 -12.641 273 HA LEU 40 HA LEU 40 27.240 -24.062 -14.624 274 HB2 LEU 40 HB2 LEU 40 27.900 -26.315 -15.654 275 HB3 LEU 40 HB1 LEU 40 29.179 -25.116 -15.469 276 HG LEU 40 HG LEU 40 28.898 -26.749 -13.072 277 HD11 LEU 40 HD11 LEU 40 29.580 -28.151 -15.674 278 HD12 LEU 40 HD12 LEU 40 28.144 -28.451 -14.694 279 HD13 LEU 40 HD13 LEU 40 29.743 -28.845 -14.061 280 HD21 LEU 40 HD21 LEU 40 31.206 -26.501 -15.019 281 HD22 LEU 40 HD22 LEU 40 31.289 -26.895 -13.303 282 HD23 LEU 40 HD23 LEU 40 30.830 -25.270 -13.813 283 H LEU 41 HN LEU 41 26.842 -25.571 -11.714 284 HA LEU 41 HA LEU 41 24.407 -26.973 -12.647 285 HB2 LEU 41 HB2 LEU 41 26.195 -27.755 -10.333 286 HB3 LEU 41 HB1 LEU 41 24.713 -28.578 -10.816 287 HG LEU 41 HG LEU 41 27.170 -28.248 -12.566 288 HD11 LEU 41 HD11 LEU 41 26.111 -30.807 -11.365 289 HD12 LEU 41 HD12 LEU 41 27.306 -29.815 -10.528 290 HD13 LEU 41 HD13 LEU 41 27.687 -30.515 -12.101 291 HD21 LEU 41 HD21 LEU 41 25.445 -28.496 -14.101 292 HD22 LEU 41 HD22 LEU 41 24.429 -29.395 -12.974 293 HD23 LEU 41 HD23 LEU 41 25.794 -30.189 -13.756 294 H GLY 42 HN GLY 42 25.586 -24.389 -10.968 295 HA2 GLY 42 HA2 GLY 42 23.101 -24.180 -9.385 296 HA3 GLY 42 HA1 GLY 42 24.656 -23.824 -8.637 297 H THR 43 HN THR 43 24.833 -22.951 -11.836 298 HA THR 43 HA THR 43 23.622 -20.314 -11.541 299 HB THR 43 HB THR 43 26.546 -20.440 -12.238 300 HG1 THR 43 HG1 THR 43 25.339 -20.761 -9.798 301 HG21 THR 43 HG21 THR 43 26.441 -18.158 -12.135 302 HG22 THR 43 HG22 THR 43 25.263 -18.169 -10.823 303 HG23 THR 43 HG23 THR 43 24.737 -18.450 -12.483 304 H THR 44 HN THR 44 23.376 -22.725 -13.267 305 HA THR 44 HA THR 44 23.768 -21.374 -15.867 306 HB THR 44 HB THR 44 24.441 -24.191 -15.070 307 HG1 THR 44 HG1 THR 44 25.678 -22.300 -16.780 308 HG21 THR 44 HG21 THR 44 23.041 -24.676 -16.891 309 HG22 THR 44 HG22 THR 44 24.627 -24.520 -17.645 310 HG23 THR 44 HG23 THR 44 23.473 -23.190 -17.737 311 H GLY 45 HN GLY 45 22.040 -23.935 -14.112 312 HA2 GLY 45 HA2 GLY 45 19.666 -23.396 -15.800 313 HA3 GLY 45 HA1 GLY 45 20.080 -25.003 -15.212 314 H ASN 46 HN ASN 46 20.903 -22.791 -12.876 315 HA ASN 46 HA ASN 46 18.429 -23.353 -11.375 316 HB2 ASN 46 HB2 ASN 46 21.277 -22.859 -10.594 317 HB3 ASN 46 HB1 ASN 46 19.991 -22.495 -9.445 318 HD21 ASN 46 HD21 ASN 46 21.738 -25.088 -11.031 319 HD22 ASN 46 HD22 ASN 46 20.957 -26.362 -10.225 320 H GLY 47 HN GLY 47 20.783 -20.735 -11.945 321 HA2 GLY 47 HA2 GLY 47 19.217 -18.702 -10.717 322 HA3 GLY 47 HA1 GLY 47 20.572 -18.444 -11.813 323 H LEU 48 HN LEU 48 19.774 -19.534 -14.144 324 HA LEU 48 HA LEU 48 18.155 -17.605 -15.316 325 HB2 LEU 48 HB2 LEU 48 19.671 -19.176 -16.539 326 HB3 LEU 48 HB1 LEU 48 18.499 -20.461 -16.264 327 HG LEU 48 HG LEU 48 16.775 -19.111 -17.458 328 HD11 LEU 48 HD11 LEU 48 18.004 -17.269 -18.961 329 HD12 LEU 48 HD12 LEU 48 19.053 -17.177 -17.547 330 HD13 LEU 48 HD13 LEU 48 17.324 -16.871 -17.384 331 HD21 LEU 48 HD21 LEU 48 19.332 -19.988 -18.753 332 HD22 LEU 48 HD22 LEU 48 18.114 -19.184 -19.743 333 HD23 LEU 48 HD23 LEU 48 17.714 -20.677 -18.893 334 H VAL 49 HN VAL 49 17.269 -20.877 -14.224 335 HA VAL 49 HA VAL 49 14.562 -20.787 -14.968 336 HB VAL 49 HB VAL 49 16.055 -22.315 -12.843 337 HG11 VAL 49 HG11 VAL 49 13.844 -23.684 -12.808 338 HG12 VAL 49 HG12 VAL 49 13.099 -22.211 -13.427 339 HG13 VAL 49 HG13 VAL 49 13.915 -22.196 -11.864 340 HG21 VAL 49 HG21 VAL 49 15.529 -24.201 -14.363 341 HG22 VAL 49 HG22 VAL 49 16.426 -22.934 -15.200 342 HG23 VAL 49 HG23 VAL 49 14.686 -23.088 -15.440 343 H LEU 50 HN LEU 50 15.705 -20.620 -11.597 344 HA LEU 50 HA LEU 50 13.474 -19.669 -10.373 345 HB2 LEU 50 HB2 LEU 50 16.380 -19.066 -9.885 346 HB3 LEU 50 HB1 LEU 50 15.127 -18.351 -8.871 347 HG LEU 50 HG LEU 50 14.963 -21.284 -9.389 348 HD11 LEU 50 HD11 LEU 50 17.224 -21.350 -8.824 349 HD12 LEU 50 HD12 LEU 50 16.470 -21.444 -7.233 350 HD13 LEU 50 HD13 LEU 50 17.118 -19.910 -7.813 351 HD21 LEU 50 HD21 LEU 50 14.112 -21.257 -7.085 352 HD22 LEU 50 HD22 LEU 50 13.272 -20.045 -8.051 353 HD23 LEU 50 HD23 LEU 50 14.540 -19.553 -6.931 354 H TRP 51 HN TRP 51 15.647 -17.872 -12.448 355 HA TRP 51 HA TRP 51 14.523 -15.292 -11.812 356 HB2 TRP 51 HB2 TRP 51 16.811 -15.378 -12.570 357 HB3 TRP 51 HB1 TRP 51 16.341 -16.232 -14.040 358 HD1 TRP 51 HD1 TRP 51 16.190 -12.795 -12.383 359 HE1 TRP 51 HE1 TRP 51 15.625 -11.033 -14.179 360 HE3 TRP 51 HE3 TRP 51 15.203 -15.859 -16.347 361 HZ2 TRP 51 HZ2 TRP 51 14.856 -10.937 -16.932 362 HZ3 TRP 51 HZ3 TRP 51 14.558 -14.908 -18.542 363 HH2 TRP 51 HH2 TRP 51 14.383 -12.452 -18.839 364 H THR 52 HN THR 52 14.331 -17.519 -14.589 365 HA THR 52 HA THR 52 12.521 -15.987 -16.114 366 HB THR 52 HB THR 52 13.011 -18.973 -16.035 367 HG1 THR 52 HG1 THR 52 13.931 -16.817 -17.617 368 HG21 THR 52 HG21 THR 52 11.053 -19.050 -17.190 369 HG22 THR 52 HG22 THR 52 12.024 -18.420 -18.520 370 HG23 THR 52 HG23 THR 52 11.071 -17.318 -17.525 371 H VAL 53 HN VAL 53 11.991 -18.584 -13.748 372 HA VAL 53 HA VAL 53 9.179 -18.680 -13.995 373 HB VAL 53 HB VAL 53 11.028 -19.437 -11.726 374 HG11 VAL 53 HG11 VAL 53 8.036 -19.705 -12.044 375 HG12 VAL 53 HG12 VAL 53 8.934 -19.060 -10.671 376 HG13 VAL 53 HG13 VAL 53 8.958 -20.790 -11.006 377 HG21 VAL 53 HG21 VAL 53 10.948 -20.630 -14.064 378 HG22 VAL 53 HG22 VAL 53 9.423 -21.287 -13.474 379 HG23 VAL 53 HG23 VAL 53 10.919 -21.610 -12.597 380 H PHE 54 HN PHE 54 11.279 -16.983 -11.671 381 HA PHE 54 HA PHE 54 9.381 -15.807 -10.056 382 HB2 PHE 54 HB2 PHE 54 12.118 -15.055 -10.939 383 HB3 PHE 54 HB1 PHE 54 11.147 -13.791 -10.183 384 HD1 PHE 54 HD1 PHE 54 11.131 -17.472 -9.549 385 HD2 PHE 54 HD2 PHE 54 12.041 -13.567 -8.009 386 HE1 PHE 54 HE1 PHE 54 11.580 -18.457 -7.318 387 HE2 PHE 54 HE2 PHE 54 12.488 -14.552 -5.777 388 HZ PHE 54 HZ PHE 54 12.257 -16.997 -5.431 389 H ARG 55 HN ARG 55 9.771 -15.376 -13.390 390 HA ARG 55 HA ARG 55 8.360 -12.784 -13.358 391 HB2 ARG 55 HB2 ARG 55 9.902 -14.201 -15.539 392 HB3 ARG 55 HB1 ARG 55 8.987 -12.713 -15.786 393 HG2 ARG 55 HG2 ARG 55 10.343 -11.654 -13.952 394 HG3 ARG 55 HG1 ARG 55 11.336 -13.112 -13.912 395 HD2 ARG 55 HD2 ARG 55 11.110 -11.032 -16.060 396 HD3 ARG 55 HD1 ARG 55 12.554 -11.779 -15.382 397 HE ARG 55 HE ARG 55 11.347 -13.870 -16.603 398 HH11 ARG 55 HH21 ARG 55 12.078 -10.634 -17.587 399 HH12 ARG 55 HH22 ARG 55 12.270 -11.040 -19.260 400 HH21 ARG 55 HH11 ARG 55 11.596 -14.408 -18.795 401 HH22 ARG 55 HH12 ARG 55 11.996 -13.176 -19.944 402 H LYS 56 HN LYS 56 7.974 -16.140 -14.029 403 HA LYS 56 HA LYS 56 5.528 -15.651 -15.587 404 HB2 LYS 56 HB2 LYS 56 5.879 -17.648 -16.592 405 HB3 LYS 56 HB1 LYS 56 7.519 -17.477 -15.973 406 HG2 LYS 56 HG2 LYS 56 6.739 -18.692 -13.876 407 HG3 LYS 56 HG1 LYS 56 5.237 -19.048 -14.738 408 HD2 LYS 56 HD2 LYS 56 7.256 -19.729 -16.549 409 HD3 LYS 56 HD1 LYS 56 7.839 -20.318 -14.991 410 HE2 LYS 56 HE2 LYS 56 6.461 -22.026 -16.119 411 HE3 LYS 56 HE1 LYS 56 5.698 -21.485 -14.624 412 HZ1 LYS 56 HZ1 LYS 56 4.818 -19.762 -16.585 413 HZ2 LYS 56 HZ2 LYS 56 3.924 -20.994 -15.831 414 HZ3 LYS 56 HZ3 LYS 56 4.741 -21.304 -17.288 415 H LYS 57 HN LYS 57 6.645 -16.640 -12.473 416 HA LYS 57 HA LYS 57 3.946 -17.542 -11.710 417 HB2 LYS 57 HB2 LYS 57 5.770 -19.095 -11.188 418 HB3 LYS 57 HB1 LYS 57 6.594 -17.835 -10.272 419 HG2 LYS 57 HG2 LYS 57 3.778 -18.277 -9.493 420 HG3 LYS 57 HG1 LYS 57 4.842 -19.646 -9.185 421 HD2 LYS 57 HD2 LYS 57 5.733 -16.894 -8.364 422 HD3 LYS 57 HD1 LYS 57 4.566 -17.756 -7.368 423 HE2 LYS 57 HE2 LYS 57 7.141 -18.059 -6.913 424 HE3 LYS 57 HE1 LYS 57 6.063 -19.451 -6.825 425 HZ1 LYS 57 HZ1 LYS 57 7.971 -20.006 -8.138 426 HZ2 LYS 57 HZ2 LYS 57 7.745 -18.652 -9.137 427 HZ3 LYS 57 HZ3 LYS 57 6.622 -19.926 -9.161 428 H GLY 58 HN GLY 58 6.096 -14.915 -11.498 429 HA2 GLY 58 HA2 GLY 58 5.117 -13.862 -8.987 430 HA3 GLY 58 HA1 GLY 58 6.202 -13.051 -10.113 431 H HIS 59 HN HIS 59 4.391 -13.519 -12.394 432 HA HIS 59 HA HIS 59 2.970 -11.107 -12.370 433 HB2 HIS 59 HB2 HIS 59 3.199 -13.435 -14.134 434 HB3 HIS 59 HB1 HIS 59 1.618 -12.656 -14.207 435 HD2 HIS 59 HD2 HIS 59 4.771 -12.265 -16.069 436 HE1 HIS 59 HE1 HIS 59 3.408 -8.291 -15.651 437 HE2 HIS 59 HE2 HIS 59 5.031 -9.800 -16.891 438 H HIS 60 HN HIS 60 2.262 -14.033 -10.820 439 HA HIS 60 HA HIS 60 -0.453 -13.072 -10.208 440 HB2 HIS 60 HB2 HIS 60 0.311 -15.676 -11.435 441 HB3 HIS 60 HB1 HIS 60 -0.949 -15.699 -10.201 442 HD2 HIS 60 HD2 HIS 60 -0.542 -14.742 -13.917 443 HE1 HIS 60 HE1 HIS 60 -4.314 -13.292 -12.697 444 HE2 HIS 60 HE2 HIS 60 -2.812 -13.718 -14.701 445 H HIS 61 HN HIS 61 0.770 -12.368 -8.280 446 HA HIS 61 HA HIS 61 1.333 -14.584 -6.406 447 HB2 HIS 61 HB2 HIS 61 2.898 -12.403 -7.068 448 HB3 HIS 61 HB1 HIS 61 2.139 -11.907 -5.554 449 HD2 HIS 61 HD2 HIS 61 5.105 -14.002 -6.642 450 HE1 HIS 61 HE1 HIS 61 4.110 -15.399 -2.784 451 HE2 HIS 61 HE2 HIS 61 5.875 -15.451 -4.611 452 H HIS 62 HN HIS 62 0.398 -14.598 -4.373 453 HA HIS 62 HA HIS 62 -1.303 -14.297 -2.856 454 HB2 HIS 62 HB2 HIS 62 -0.222 -11.652 -3.477 455 HB3 HIS 62 HB1 HIS 62 -1.890 -11.596 -2.906 456 HD2 HIS 62 HD2 HIS 62 1.251 -13.709 -1.609 457 HE1 HIS 62 HE1 HIS 62 -0.766 -12.009 1.687 458 HE2 HIS 62 HE2 HIS 62 1.188 -13.475 0.990 459 H HIS 63 HN HIS 63 -3.157 -15.209 -3.520 460 HA HIS 63 HA HIS 63 -5.166 -15.517 -4.598 461 HB2 HIS 63 HB2 HIS 63 -5.401 -13.379 -3.059 462 HB3 HIS 63 HB1 HIS 63 -5.571 -12.557 -4.610 463 HD2 HIS 63 HD2 HIS 63 -7.542 -15.142 -2.404 464 HE1 HIS 63 HE1 HIS 63 -9.942 -14.167 -5.737 465 HE2 HIS 63 HE2 HIS 63 -9.893 -15.393 -3.514 466 H HIS 64 HN HIS 64 -2.967 -15.367 -6.331 467 HA HIS 64 HA HIS 64 -2.339 -14.871 -8.499 468 HB2 HIS 64 HB2 HIS 64 -5.309 -15.344 -8.838 469 HB3 HIS 64 HB1 HIS 64 -4.114 -15.403 -10.132 470 HD2 HIS 64 HD2 HIS 64 -2.720 -17.816 -10.313 471 HE1 HIS 64 HE1 HIS 64 -4.213 -19.565 -6.772 472 HE2 HIS 64 HE2 HIS 64 -2.815 -19.979 -8.852 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 78.779 -20.906 24.502 2 H2 MET 1 HT2 MET 1 79.166 -19.456 23.704 3 H3 MET 1 HT3 MET 1 80.071 -19.955 25.054 4 HA MET 1 HA MET 1 80.653 -20.442 22.416 5 HB2 MET 1 HB2 MET 1 81.812 -20.704 24.972 6 HB3 MET 1 HB1 MET 1 81.956 -22.294 24.219 7 HG2 MET 1 HG2 MET 1 83.906 -20.991 23.607 8 HG3 MET 1 HG1 MET 1 82.892 -21.170 22.176 9 HE1 MET 1 HE1 MET 1 83.688 -17.478 24.730 10 HE2 MET 1 HE2 MET 1 84.883 -18.682 24.256 11 HE3 MET 1 HE3 MET 1 83.541 -19.147 25.297 12 H GLU 2 HN GLU 2 79.018 -22.509 24.749 13 HA GLU 2 HA GLU 2 79.064 -24.785 22.911 14 HB2 GLU 2 HB2 GLU 2 77.651 -25.783 24.874 15 HB3 GLU 2 HB1 GLU 2 79.385 -25.543 25.090 16 HG2 GLU 2 HG2 GLU 2 77.484 -23.330 25.804 17 HG3 GLU 2 HG1 GLU 2 77.725 -24.668 26.926 18 H GLU 3 HN GLU 3 77.745 -24.043 21.224 19 HA GLU 3 HA GLU 3 75.266 -22.802 21.428 20 HB2 GLU 3 HB2 GLU 3 74.791 -23.886 19.196 21 HB3 GLU 3 HB1 GLU 3 76.315 -23.001 19.279 22 HG2 GLU 3 HG2 GLU 3 77.562 -24.882 19.032 23 HG3 GLU 3 HG1 GLU 3 76.518 -25.824 20.095 24 H GLY 4 HN GLY 4 73.108 -23.664 21.174 25 HA2 GLY 4 HA2 GLY 4 72.763 -26.456 22.056 26 HA3 GLY 4 HA1 GLY 4 71.965 -25.162 22.946 27 H GLY 5 HN GLY 5 70.735 -23.586 21.399 28 HA2 GLY 5 HA2 GLY 5 68.687 -25.107 20.120 29 HA3 GLY 5 HA1 GLY 5 68.825 -23.352 20.128 30 H ASP 6 HN ASP 6 68.050 -23.621 17.871 31 HA ASP 6 HA ASP 6 70.166 -23.289 16.025 32 HB2 ASP 6 HB2 ASP 6 69.497 -25.342 14.603 33 HB3 ASP 6 HB1 ASP 6 70.559 -25.603 15.986 34 H PHE 7 HN PHE 7 68.215 -21.602 16.426 35 HA PHE 7 HA PHE 7 66.565 -20.390 15.385 36 HB2 PHE 7 HB2 PHE 7 68.023 -21.630 13.325 37 HB3 PHE 7 HB1 PHE 7 66.324 -21.881 12.923 38 HD1 PHE 7 HD2 PHE 7 64.752 -19.831 13.063 39 HD2 PHE 7 HD1 PHE 7 69.036 -19.539 12.951 40 HE1 PHE 7 HE2 PHE 7 64.572 -17.466 12.341 41 HE2 PHE 7 HE1 PHE 7 68.856 -17.173 12.229 42 HZ PHE 7 HZ PHE 7 66.623 -16.136 11.924 43 H ASP 8 HN ASP 8 64.394 -20.438 15.541 44 HA ASP 8 HA ASP 8 63.000 -23.011 15.204 45 HB2 ASP 8 HB2 ASP 8 62.463 -21.168 17.536 46 HB3 ASP 8 HB1 ASP 8 61.829 -22.791 17.272 47 H ASN 9 HN ASN 9 63.113 -20.826 13.409 48 HA ASN 9 HA ASN 9 61.788 -19.350 12.239 49 HB2 ASN 9 HB2 ASN 9 60.545 -21.769 12.412 50 HB3 ASN 9 HB1 ASN 9 59.297 -20.693 13.040 51 HD21 ASN 9 HD21 ASN 9 60.217 -18.377 11.393 52 HD22 ASN 9 HD22 ASN 9 59.741 -18.728 9.802 53 H TYR 10 HN TYR 10 59.479 -18.158 12.435 54 HA TYR 10 HA TYR 10 59.712 -16.207 14.370 55 HB2 TYR 10 HB2 TYR 10 58.151 -16.325 12.306 56 HB3 TYR 10 HB1 TYR 10 57.006 -17.097 13.402 57 HD1 TYR 10 HD1 TYR 10 58.994 -14.020 12.799 58 HD2 TYR 10 HD2 TYR 10 55.863 -15.850 15.101 59 HE1 TYR 10 HE1 TYR 10 58.365 -11.800 13.707 60 HE2 TYR 10 HE2 TYR 10 55.233 -13.630 16.008 61 HH TYR 10 HH TYR 10 55.750 -11.472 16.108 62 H TYR 11 HN TYR 11 60.219 -17.156 16.379 63 HA TYR 11 HA TYR 11 59.815 -18.189 18.404 64 HB2 TYR 11 HB2 TYR 11 58.288 -16.087 18.298 65 HB3 TYR 11 HB1 TYR 11 56.975 -17.249 18.102 66 HD1 TYR 11 HD2 TYR 11 59.897 -16.435 20.291 67 HD2 TYR 11 HD1 TYR 11 56.066 -18.351 19.972 68 HE1 TYR 11 HE2 TYR 11 59.908 -16.865 22.732 69 HE2 TYR 11 HE1 TYR 11 56.078 -18.781 22.414 70 HH TYR 11 HH TYR 11 57.492 -18.887 24.254 71 H GLY 12 HN GLY 12 59.579 -19.932 16.206 72 HA2 GLY 12 HA2 GLY 12 58.622 -21.921 15.511 73 HA3 GLY 12 HA1 GLY 12 58.551 -22.231 17.244 74 H ALA 13 HN ALA 13 56.777 -19.645 15.682 75 HA ALA 13 HA ALA 13 54.260 -20.975 16.450 76 HB1 ALA 13 HB1 ALA 13 54.300 -18.880 17.487 77 HB2 ALA 13 HB2 ALA 13 53.370 -18.568 16.021 78 HB3 ALA 13 HB3 ALA 13 55.068 -18.103 16.104 79 H ASP 14 HN ASP 14 55.997 -19.523 13.767 80 HA ASP 14 HA ASP 14 53.736 -19.921 11.955 81 HB2 ASP 14 HB2 ASP 14 55.165 -18.835 10.285 82 HB3 ASP 14 HB1 ASP 14 55.077 -17.864 11.754 83 H ASN 15 HN ASN 15 56.747 -21.397 12.866 84 HA ASN 15 HA ASN 15 57.449 -22.905 10.677 85 HB2 ASN 15 HB2 ASN 15 58.327 -22.824 13.205 86 HB3 ASN 15 HB1 ASN 15 57.399 -24.320 13.293 87 HD21 ASN 15 HD21 ASN 15 60.476 -23.537 13.002 88 HD22 ASN 15 HD22 ASN 15 61.008 -24.646 11.832 89 H GLN 16 HN GLN 16 54.531 -23.025 12.428 90 HA GLN 16 HA GLN 16 53.876 -25.713 11.415 91 HB2 GLN 16 HB2 GLN 16 52.176 -25.816 13.035 92 HB3 GLN 16 HB1 GLN 16 53.490 -24.983 13.867 93 HG2 GLN 16 HG2 GLN 16 52.368 -22.810 12.972 94 HG3 GLN 16 HG1 GLN 16 50.951 -23.830 12.733 95 HE21 GLN 16 HE21 GLN 16 51.891 -21.639 14.858 96 HE22 GLN 16 HE22 GLN 16 51.395 -22.344 16.320 97 H SER 17 HN SER 17 53.196 -22.344 10.989 98 HA SER 17 HA SER 17 50.703 -22.669 9.604 99 HB2 SER 17 HB2 SER 17 51.119 -20.545 10.622 100 HB3 SER 17 HB1 SER 17 52.671 -20.383 9.804 101 HG SER 17 HG SER 17 51.324 -19.236 8.554 102 H GLU 18 HN GLU 18 54.096 -22.435 8.669 103 HA GLU 18 HA GLU 18 53.902 -22.021 5.945 104 HB2 GLU 18 HB2 GLU 18 55.999 -23.442 5.797 105 HB3 GLU 18 HB1 GLU 18 56.069 -22.108 6.949 106 HG2 GLU 18 HG2 GLU 18 55.589 -23.612 8.798 107 HG3 GLU 18 HG1 GLU 18 55.347 -24.958 7.685 108 H CYS 19 HN CYS 19 52.990 -24.812 7.789 109 HA CYS 19 HA CYS 19 53.013 -26.726 5.683 110 HB2 CYS 19 HB2 CYS 19 52.961 -27.440 8.006 111 HB3 CYS 19 HB1 CYS 19 51.415 -26.627 8.251 112 HG CYS 19 HG CYS 19 50.787 -29.068 7.707 113 H GLU 20 HN GLU 20 50.723 -24.303 6.744 114 HA GLU 20 HA GLU 20 48.565 -25.337 5.103 115 HB2 GLU 20 HB2 GLU 20 48.726 -22.636 6.447 116 HB3 GLU 20 HB1 GLU 20 47.278 -23.507 5.942 117 HG2 GLU 20 HG2 GLU 20 49.221 -24.408 8.089 118 HG3 GLU 20 HG1 GLU 20 47.623 -23.719 8.373 119 H TYR 21 HN TYR 21 51.355 -23.619 4.503 120 HA TYR 21 HA TYR 21 50.201 -21.985 2.357 121 HB2 TYR 21 HB2 TYR 21 51.791 -20.614 3.207 122 HB3 TYR 21 HB1 TYR 21 52.686 -21.947 3.938 123 HD1 TYR 21 HD1 TYR 21 54.364 -23.196 2.666 124 HD2 TYR 21 HD2 TYR 21 52.211 -19.925 0.902 125 HE1 TYR 21 HE1 TYR 21 55.994 -23.130 0.798 126 HE2 TYR 21 HE2 TYR 21 53.841 -19.859 -0.966 127 HH TYR 21 HH TYR 21 56.720 -21.922 -0.964 128 H THR 22 HN THR 22 52.590 -24.572 2.846 129 HA THR 22 HA THR 22 53.228 -24.892 0.094 130 HB THR 22 HB THR 22 54.462 -25.749 2.242 131 HG1 THR 22 HG1 THR 22 54.820 -26.141 -0.148 132 HG21 THR 22 HG21 THR 22 52.946 -28.259 1.567 133 HG22 THR 22 HG22 THR 22 52.331 -27.143 2.787 134 HG23 THR 22 HG23 THR 22 53.909 -27.900 3.000 135 H ASP 23 HN ASP 23 50.591 -25.947 2.062 136 HA ASP 23 HA ASP 23 49.773 -28.022 0.177 137 HB2 ASP 23 HB2 ASP 23 48.944 -27.153 2.898 138 HB3 ASP 23 HB1 ASP 23 47.715 -27.906 1.882 139 H TRP 24 HN TRP 24 48.679 -24.854 1.337 140 HA TRP 24 HA TRP 24 46.266 -24.668 -0.042 141 HB2 TRP 24 HB2 TRP 24 46.528 -22.887 1.382 142 HB3 TRP 24 HB1 TRP 24 48.244 -22.709 1.015 143 HD1 TRP 24 HD1 TRP 24 44.823 -22.144 -0.693 144 HE1 TRP 24 HE1 TRP 24 45.049 -20.144 -2.304 145 HE3 TRP 24 HE3 TRP 24 49.804 -21.150 -0.169 146 HZ2 TRP 24 HZ2 TRP 24 47.077 -18.358 -3.245 147 HZ3 TRP 24 HZ3 TRP 24 50.856 -19.296 -1.432 148 HH2 TRP 24 HH2 TRP 24 49.500 -17.900 -2.969 149 H LYS 25 HN LYS 25 49.413 -23.337 -1.091 150 HA LYS 25 HA LYS 25 48.696 -22.528 -3.636 151 HB2 LYS 25 HB2 LYS 25 50.918 -22.169 -2.481 152 HB3 LYS 25 HB1 LYS 25 51.348 -23.810 -2.966 153 HG2 LYS 25 HG2 LYS 25 51.066 -23.246 -5.313 154 HG3 LYS 25 HG1 LYS 25 50.469 -21.641 -4.892 155 HD2 LYS 25 HD2 LYS 25 52.988 -22.059 -3.582 156 HD3 LYS 25 HD1 LYS 25 53.167 -22.439 -5.296 157 HE2 LYS 25 HE2 LYS 25 52.194 -20.270 -5.902 158 HE3 LYS 25 HE1 LYS 25 51.947 -19.888 -4.197 159 HZ1 LYS 25 HZ1 LYS 25 54.139 -19.239 -5.607 160 HZ2 LYS 25 HZ2 LYS 25 54.639 -20.683 -4.864 161 HZ3 LYS 25 HZ3 LYS 25 54.092 -19.383 -3.918 162 H SER 26 HN SER 26 49.251 -25.751 -2.429 163 HA SER 26 HA SER 26 49.442 -26.968 -5.044 164 HB2 SER 26 HB2 SER 26 50.375 -28.554 -3.760 165 HB3 SER 26 HB1 SER 26 49.780 -27.786 -2.292 166 HG SER 26 HG SER 26 48.045 -29.241 -3.969 167 H SER 27 HN SER 27 46.994 -26.860 -2.456 168 HA SER 27 HA SER 27 45.025 -28.301 -3.936 169 HB2 SER 27 HB2 SER 27 45.274 -27.621 -1.330 170 HB3 SER 27 HB1 SER 27 44.125 -26.394 -1.856 171 HG SER 27 HG SER 27 43.910 -29.204 -1.900 172 H GLY 28 HN GLY 28 46.021 -24.978 -3.823 173 HA2 GLY 28 HA2 GLY 28 43.643 -23.789 -4.838 174 HA3 GLY 28 HA1 GLY 28 45.254 -23.081 -4.883 175 H ALA 29 HN ALA 29 45.588 -26.037 -6.246 176 HA ALA 29 HA ALA 29 45.332 -24.925 -8.964 177 HB1 ALA 29 HB1 ALA 29 47.003 -26.462 -9.644 178 HB2 ALA 29 HB2 ALA 29 46.807 -27.440 -8.189 179 HB3 ALA 29 HB3 ALA 29 47.553 -25.845 -8.087 180 H LEU 30 HN LEU 30 43.787 -27.009 -6.824 181 HA LEU 30 HA LEU 30 42.298 -28.249 -9.049 182 HB2 LEU 30 HB2 LEU 30 42.186 -30.361 -7.787 183 HB3 LEU 30 HB1 LEU 30 43.853 -29.935 -8.176 184 HG LEU 30 HG LEU 30 43.391 -28.666 -5.737 185 HD11 LEU 30 HD11 LEU 30 42.329 -31.500 -5.591 186 HD12 LEU 30 HD12 LEU 30 41.292 -30.073 -5.602 187 HD13 LEU 30 HD13 LEU 30 42.427 -30.327 -4.278 188 HD21 LEU 30 HD21 LEU 30 45.466 -29.775 -6.395 189 HD22 LEU 30 HD22 LEU 30 44.667 -31.347 -6.366 190 HD23 LEU 30 HD23 LEU 30 44.909 -30.453 -4.865 191 H ILE 31 HN ILE 31 42.195 -26.276 -6.434 192 HA ILE 31 HA ILE 31 39.776 -27.193 -5.191 193 HB ILE 31 HB ILE 31 41.515 -24.773 -4.943 194 HG12 ILE 31 HG12 ILE 31 41.597 -27.108 -3.692 195 HG13 ILE 31 HG11 ILE 31 41.920 -25.611 -2.821 196 HG21 ILE 31 HG21 ILE 31 39.431 -23.659 -4.896 197 HG22 ILE 31 HG22 ILE 31 39.774 -23.990 -3.199 198 HG23 ILE 31 HG23 ILE 31 38.630 -25.002 -4.081 199 HD11 ILE 31 HD11 ILE 31 39.777 -25.587 -1.827 200 HD12 ILE 31 HD12 ILE 31 40.249 -27.285 -1.761 201 HD13 ILE 31 HD13 ILE 31 39.123 -26.731 -2.998 202 HA PRO 32 HA PRO 32 38.041 -23.505 -7.946 203 HB2 PRO 32 HB2 PRO 32 39.393 -24.265 -10.477 204 HB3 PRO 32 HB1 PRO 32 39.070 -22.655 -9.809 205 HG2 PRO 32 HG2 PRO 32 41.524 -23.703 -9.832 206 HG3 PRO 32 HG1 PRO 32 40.957 -22.666 -8.511 207 HD2 PRO 32 HD2 PRO 32 41.293 -25.640 -8.561 208 HD3 PRO 32 HD1 PRO 32 41.556 -24.496 -7.228 209 H ALA 33 HN ALA 33 38.841 -26.771 -8.888 210 HA ALA 33 HA ALA 33 36.841 -27.295 -10.772 211 HB1 ALA 33 HB1 ALA 33 38.100 -29.115 -8.709 212 HB2 ALA 33 HB2 ALA 33 38.612 -28.892 -10.381 213 HB3 ALA 33 HB3 ALA 33 37.071 -29.674 -10.028 214 H ILE 34 HN ILE 34 36.729 -28.343 -7.361 215 HA ILE 34 HA ILE 34 34.063 -29.009 -7.228 216 HB ILE 34 HB ILE 34 36.012 -27.971 -5.204 217 HG12 ILE 34 HG12 ILE 34 35.706 -30.410 -6.200 218 HG13 ILE 34 HG11 ILE 34 36.057 -30.180 -4.489 219 HG21 ILE 34 HG21 ILE 34 34.068 -26.973 -4.315 220 HG22 ILE 34 HG22 ILE 34 34.141 -28.532 -3.499 221 HG23 ILE 34 HG23 ILE 34 33.034 -28.297 -4.852 222 HD11 ILE 34 HD11 ILE 34 33.817 -30.575 -3.853 223 HD12 ILE 34 HD12 ILE 34 34.108 -31.769 -5.118 224 HD13 ILE 34 HD13 ILE 34 33.210 -30.297 -5.485 225 H TYR 35 HN TYR 35 35.526 -25.807 -6.844 226 HA TYR 35 HA TYR 35 33.182 -24.426 -6.090 227 HB2 TYR 35 HB2 TYR 35 35.893 -23.751 -6.932 228 HB3 TYR 35 HB1 TYR 35 34.698 -22.592 -7.515 229 HD1 TYR 35 HD1 TYR 35 35.898 -24.353 -4.453 230 HD2 TYR 35 HD2 TYR 35 33.691 -21.030 -6.046 231 HE1 TYR 35 HE1 TYR 35 35.741 -23.369 -2.182 232 HE2 TYR 35 HE2 TYR 35 33.535 -20.045 -3.775 233 HH TYR 35 HH TYR 35 33.644 -20.774 -1.446 234 H MET 36 HN MET 36 34.783 -24.539 -9.285 235 HA MET 36 HA MET 36 32.724 -23.265 -10.705 236 HB2 MET 36 HB2 MET 36 35.065 -24.959 -11.400 237 HB3 MET 36 HB1 MET 36 33.803 -24.803 -12.625 238 HG2 MET 36 HG2 MET 36 35.658 -23.041 -12.697 239 HG3 MET 36 HG1 MET 36 34.005 -22.426 -12.673 240 HE1 MET 36 HE1 MET 36 33.024 -20.957 -11.018 241 HE2 MET 36 HE2 MET 36 34.355 -20.136 -11.830 242 HE3 MET 36 HE3 MET 36 34.119 -19.916 -10.098 243 H LEU 37 HN LEU 37 33.454 -26.754 -10.478 244 HA LEU 37 HA LEU 37 31.327 -27.757 -11.921 245 HB2 LEU 37 HB2 LEU 37 33.236 -29.056 -10.870 246 HB3 LEU 37 HB1 LEU 37 32.328 -29.005 -9.359 247 HG LEU 37 HG LEU 37 30.407 -29.826 -11.146 248 HD11 LEU 37 HD11 LEU 37 33.014 -31.193 -11.882 249 HD12 LEU 37 HD12 LEU 37 32.148 -30.053 -12.910 250 HD13 LEU 37 HD13 LEU 37 31.414 -31.603 -12.500 251 HD21 LEU 37 HD21 LEU 37 32.313 -31.393 -9.389 252 HD22 LEU 37 HD22 LEU 37 30.918 -32.132 -10.176 253 HD23 LEU 37 HD23 LEU 37 30.684 -30.845 -8.994 254 H VAL 38 HN VAL 38 31.353 -26.451 -8.669 255 HA VAL 38 HA VAL 38 28.598 -27.282 -8.178 256 HB VAL 38 HB VAL 38 30.622 -25.764 -6.525 257 HG11 VAL 38 HG11 VAL 38 28.798 -26.153 -4.715 258 HG12 VAL 38 HG12 VAL 38 27.692 -26.320 -6.077 259 HG13 VAL 38 HG13 VAL 38 28.576 -24.813 -5.840 260 HG21 VAL 38 HG21 VAL 38 29.258 -28.388 -5.913 261 HG22 VAL 38 HG22 VAL 38 30.758 -27.748 -5.241 262 HG23 VAL 38 HG23 VAL 38 30.715 -28.326 -6.907 263 H PHE 39 HN PHE 39 30.321 -24.595 -9.432 264 HA PHE 39 HA PHE 39 28.309 -22.611 -8.818 265 HB2 PHE 39 HB2 PHE 39 30.756 -22.100 -9.144 266 HB3 PHE 39 HB1 PHE 39 30.532 -22.440 -10.861 267 HD1 PHE 39 HD2 PHE 39 28.841 -21.089 -12.177 268 HD2 PHE 39 HD1 PHE 39 30.074 -20.023 -8.202 269 HE1 PHE 39 HE2 PHE 39 27.969 -18.793 -12.522 270 HE2 PHE 39 HE1 PHE 39 29.202 -17.728 -8.547 271 HZ PHE 39 HZ PHE 39 28.149 -17.113 -10.707 272 H LEU 40 HN LEU 40 29.495 -24.034 -11.876 273 HA LEU 40 HA LEU 40 27.374 -23.030 -13.456 274 HB2 LEU 40 HB2 LEU 40 28.145 -24.649 -15.146 275 HB3 LEU 40 HB1 LEU 40 29.500 -23.777 -14.428 276 HG LEU 40 HG LEU 40 29.216 -25.937 -12.732 277 HD11 LEU 40 HD11 LEU 40 28.896 -27.908 -14.032 278 HD12 LEU 40 HD12 LEU 40 28.976 -27.011 -15.548 279 HD13 LEU 40 HD13 LEU 40 27.576 -26.833 -14.490 280 HD21 LEU 40 HD21 LEU 40 30.965 -25.460 -15.155 281 HD22 LEU 40 HD22 LEU 40 31.214 -26.831 -14.075 282 HD23 LEU 40 HD23 LEU 40 31.362 -25.185 -13.459 283 H LEU 41 HN LEU 41 27.171 -25.141 -10.977 284 HA LEU 41 HA LEU 41 25.156 -26.881 -12.227 285 HB2 LEU 41 HB2 LEU 41 27.033 -27.155 -10.029 286 HB3 LEU 41 HB1 LEU 41 25.394 -27.575 -9.533 287 HG LEU 41 HG LEU 41 26.692 -28.645 -12.051 288 HD11 LEU 41 HD11 LEU 41 26.433 -30.730 -10.219 289 HD12 LEU 41 HD12 LEU 41 27.061 -29.393 -9.254 290 HD13 LEU 41 HD13 LEU 41 27.939 -29.939 -10.683 291 HD21 LEU 41 HD21 LEU 41 24.623 -30.246 -10.792 292 HD22 LEU 41 HD22 LEU 41 24.684 -29.604 -12.434 293 HD23 LEU 41 HD23 LEU 41 24.032 -28.617 -11.126 294 H GLY 42 HN GLY 42 25.454 -25.212 -9.083 295 HA2 GLY 42 HA2 GLY 42 22.549 -24.864 -9.013 296 HA3 GLY 42 HA1 GLY 42 23.667 -24.573 -7.684 297 H THR 43 HN THR 43 24.774 -23.255 -10.594 298 HA THR 43 HA THR 43 23.537 -20.634 -10.046 299 HB THR 43 HB THR 43 26.362 -20.532 -10.868 300 HG1 THR 43 HG1 THR 43 27.163 -21.199 -8.951 301 HG21 THR 43 HG21 THR 43 24.984 -18.560 -10.273 302 HG22 THR 43 HG22 THR 43 26.378 -18.729 -9.205 303 HG23 THR 43 HG23 THR 43 24.776 -19.212 -8.648 304 H THR 44 HN THR 44 22.995 -22.625 -12.089 305 HA THR 44 HA THR 44 23.580 -20.964 -14.454 306 HB THR 44 HB THR 44 24.020 -23.929 -14.149 307 HG1 THR 44 HG1 THR 44 25.670 -22.378 -15.680 308 HG21 THR 44 HG21 THR 44 23.303 -22.340 -16.597 309 HG22 THR 44 HG22 THR 44 22.744 -23.940 -16.109 310 HG23 THR 44 HG23 THR 44 24.381 -23.729 -16.732 311 H GLY 45 HN GLY 45 21.713 -23.753 -13.249 312 HA2 GLY 45 HA2 GLY 45 19.456 -22.911 -14.959 313 HA3 GLY 45 HA1 GLY 45 19.689 -24.531 -14.311 314 H ASN 46 HN ASN 46 20.560 -22.562 -11.866 315 HA ASN 46 HA ASN 46 17.992 -22.902 -10.521 316 HB2 ASN 46 HB2 ASN 46 20.803 -22.427 -9.690 317 HB3 ASN 46 HB1 ASN 46 19.546 -21.766 -8.645 318 HD21 ASN 46 HD21 ASN 46 20.788 -24.801 -10.047 319 HD22 ASN 46 HD22 ASN 46 19.997 -25.821 -8.943 320 H GLY 47 HN GLY 47 20.296 -20.267 -11.201 321 HA2 GLY 47 HA2 GLY 47 18.625 -18.199 -10.177 322 HA3 GLY 47 HA1 GLY 47 20.025 -17.978 -11.224 323 H LEU 48 HN LEU 48 19.365 -19.253 -13.507 324 HA LEU 48 HA LEU 48 17.766 -17.456 -14.891 325 HB2 LEU 48 HB2 LEU 48 19.368 -19.086 -15.918 326 HB3 LEU 48 HB1 LEU 48 18.197 -20.365 -15.609 327 HG LEU 48 HG LEU 48 16.520 -19.123 -16.978 328 HD11 LEU 48 HD11 LEU 48 17.812 -17.386 -18.554 329 HD12 LEU 48 HD12 LEU 48 18.784 -17.176 -17.098 330 HD13 LEU 48 HD13 LEU 48 17.046 -16.880 -17.049 331 HD21 LEU 48 HD21 LEU 48 18.006 -20.892 -17.946 332 HD22 LEU 48 HD22 LEU 48 19.130 -19.624 -18.439 333 HD23 LEU 48 HD23 LEU 48 17.509 -19.683 -19.131 334 H VAL 49 HN VAL 49 16.889 -20.663 -13.613 335 HA VAL 49 HA VAL 49 14.216 -20.672 -14.478 336 HB VAL 49 HB VAL 49 15.643 -22.038 -12.203 337 HG11 VAL 49 HG11 VAL 49 13.465 -21.902 -11.317 338 HG12 VAL 49 HG12 VAL 49 13.452 -23.443 -12.176 339 HG13 VAL 49 HG13 VAL 49 12.712 -22.019 -12.908 340 HG21 VAL 49 HG21 VAL 49 15.322 -24.006 -13.609 341 HG22 VAL 49 HG22 VAL 49 16.062 -22.730 -14.576 342 HG23 VAL 49 HG23 VAL 49 14.340 -23.077 -14.740 343 H LEU 50 HN LEU 50 15.198 -20.294 -11.076 344 HA LEU 50 HA LEU 50 12.903 -19.305 -10.012 345 HB2 LEU 50 HB2 LEU 50 15.773 -18.599 -9.427 346 HB3 LEU 50 HB1 LEU 50 14.448 -17.899 -8.497 347 HG LEU 50 HG LEU 50 14.458 -20.860 -8.916 348 HD11 LEU 50 HD11 LEU 50 16.652 -20.807 -8.164 349 HD12 LEU 50 HD12 LEU 50 15.793 -20.810 -6.623 350 HD13 LEU 50 HD13 LEU 50 16.422 -19.298 -7.280 351 HD21 LEU 50 HD21 LEU 50 13.140 -20.860 -6.999 352 HD22 LEU 50 HD22 LEU 50 12.732 -19.280 -7.669 353 HD23 LEU 50 HD23 LEU 50 13.900 -19.406 -6.353 354 H TRP 51 HN TRP 51 15.132 -17.605 -12.106 355 HA TRP 51 HA TRP 51 13.978 -15.004 -11.656 356 HB2 TRP 51 HB2 TRP 51 16.285 -15.126 -12.356 357 HB3 TRP 51 HB1 TRP 51 15.847 -16.058 -13.788 358 HD1 TRP 51 HD1 TRP 51 15.775 -12.538 -12.354 359 HE1 TRP 51 HE1 TRP 51 15.188 -10.877 -14.237 360 HE3 TRP 51 HE3 TRP 51 14.583 -15.814 -16.085 361 HZ2 TRP 51 HZ2 TRP 51 14.328 -10.929 -16.964 362 HZ3 TRP 51 HZ3 TRP 51 13.884 -14.982 -18.312 363 HH2 TRP 51 HH2 TRP 51 13.755 -12.546 -18.756 364 H THR 52 HN THR 52 13.886 -17.352 -14.338 365 HA THR 52 HA THR 52 12.050 -15.901 -15.930 366 HB THR 52 HB THR 52 12.957 -18.760 -15.832 367 HG1 THR 52 HG1 THR 52 13.107 -17.694 -18.202 368 HG21 THR 52 HG21 THR 52 11.530 -18.961 -17.996 369 HG22 THR 52 HG22 THR 52 10.602 -17.620 -17.323 370 HG23 THR 52 HG23 THR 52 10.719 -19.143 -16.441 371 H VAL 53 HN VAL 53 11.602 -18.512 -13.561 372 HA VAL 53 HA VAL 53 8.844 -18.869 -13.866 373 HB VAL 53 HB VAL 53 10.649 -19.210 -11.468 374 HG11 VAL 53 HG11 VAL 53 7.694 -19.515 -11.778 375 HG12 VAL 53 HG12 VAL 53 8.633 -19.065 -10.354 376 HG13 VAL 53 HG13 VAL 53 8.550 -20.752 -10.859 377 HG21 VAL 53 HG21 VAL 53 10.903 -20.662 -13.549 378 HG22 VAL 53 HG22 VAL 53 9.281 -21.270 -13.216 379 HG23 VAL 53 HG23 VAL 53 10.578 -21.536 -12.051 380 H PHE 54 HN PHE 54 10.635 -16.689 -11.704 381 HA PHE 54 HA PHE 54 8.436 -15.584 -10.362 382 HB2 PHE 54 HB2 PHE 54 11.257 -14.829 -10.825 383 HB3 PHE 54 HB1 PHE 54 10.170 -13.502 -10.417 384 HD1 PHE 54 HD1 PHE 54 10.122 -17.094 -9.364 385 HD2 PHE 54 HD2 PHE 54 10.552 -12.994 -8.154 386 HE1 PHE 54 HE1 PHE 54 10.151 -17.798 -6.986 387 HE2 PHE 54 HE2 PHE 54 10.580 -13.698 -5.777 388 HZ PHE 54 HZ PHE 54 10.380 -16.101 -5.193 389 H ARG 55 HN ARG 55 9.378 -15.295 -13.616 390 HA ARG 55 HA ARG 55 7.764 -12.841 -13.966 391 HB2 ARG 55 HB2 ARG 55 10.132 -13.965 -15.390 392 HB3 ARG 55 HB1 ARG 55 8.958 -13.048 -16.334 393 HG2 ARG 55 HG2 ARG 55 9.395 -11.070 -15.218 394 HG3 ARG 55 HG1 ARG 55 9.865 -11.890 -13.729 395 HD2 ARG 55 HD2 ARG 55 11.565 -12.283 -16.159 396 HD3 ARG 55 HD1 ARG 55 11.687 -10.756 -15.290 397 HE ARG 55 HE ARG 55 12.731 -13.266 -14.429 398 HH11 ARG 55 HH21 ARG 55 11.178 -10.369 -13.348 399 HH12 ARG 55 HH22 ARG 55 11.839 -10.447 -11.750 400 HH21 ARG 55 HH11 ARG 55 13.597 -13.377 -12.333 401 HH22 ARG 55 HH12 ARG 55 13.209 -12.150 -11.174 402 H LYS 56 HN LYS 56 7.226 -15.977 -13.926 403 HA LYS 56 HA LYS 56 5.446 -15.914 -16.291 404 HB2 LYS 56 HB2 LYS 56 6.079 -18.000 -16.934 405 HB3 LYS 56 HB1 LYS 56 7.550 -17.591 -16.055 406 HG2 LYS 56 HG2 LYS 56 6.451 -18.611 -13.984 407 HG3 LYS 56 HG1 LYS 56 5.192 -19.223 -15.056 408 HD2 LYS 56 HD2 LYS 56 8.009 -19.795 -15.855 409 HD3 LYS 56 HD1 LYS 56 7.382 -20.658 -14.454 410 HE2 LYS 56 HE2 LYS 56 6.970 -21.901 -16.557 411 HE3 LYS 56 HE1 LYS 56 5.464 -21.444 -15.763 412 HZ1 LYS 56 HZ1 LYS 56 6.716 -19.781 -17.868 413 HZ2 LYS 56 HZ2 LYS 56 5.128 -19.697 -17.269 414 HZ3 LYS 56 HZ3 LYS 56 5.607 -21.014 -18.228 415 H LYS 57 HN LYS 57 5.866 -16.616 -12.914 416 HA LYS 57 HA LYS 57 3.114 -17.633 -12.703 417 HB2 LYS 57 HB2 LYS 57 5.582 -17.933 -11.136 418 HB3 LYS 57 HB1 LYS 57 4.140 -17.657 -10.157 419 HG2 LYS 57 HG2 LYS 57 3.001 -19.525 -11.194 420 HG3 LYS 57 HG1 LYS 57 4.312 -19.737 -12.355 421 HD2 LYS 57 HD2 LYS 57 5.864 -20.263 -10.505 422 HD3 LYS 57 HD1 LYS 57 4.545 -20.071 -9.350 423 HE2 LYS 57 HE2 LYS 57 3.773 -22.148 -9.767 424 HE3 LYS 57 HE1 LYS 57 3.795 -21.868 -11.508 425 HZ1 LYS 57 HZ1 LYS 57 6.323 -22.317 -10.077 426 HZ2 LYS 57 HZ2 LYS 57 5.935 -22.631 -11.701 427 HZ3 LYS 57 HZ3 LYS 57 5.344 -23.644 -10.471 428 H GLY 58 HN GLY 58 5.211 -15.011 -11.598 429 HA2 GLY 58 HA2 GLY 58 3.127 -13.763 -10.025 430 HA3 GLY 58 HA1 GLY 58 4.728 -13.108 -10.351 431 H HIS 59 HN HIS 59 4.421 -13.500 -13.265 432 HA HIS 59 HA HIS 59 3.520 -10.963 -13.999 433 HB2 HIS 59 HB2 HIS 59 4.544 -11.654 -15.867 434 HB3 HIS 59 HB1 HIS 59 4.474 -13.334 -15.334 435 HD2 HIS 59 HD2 HIS 59 2.445 -14.864 -16.532 436 HE1 HIS 59 HE1 HIS 59 0.708 -11.737 -18.775 437 HE2 HIS 59 HE2 HIS 59 0.696 -14.244 -18.368 438 H HIS 60 HN HIS 60 1.787 -14.016 -13.742 439 HA HIS 60 HA HIS 60 -0.525 -13.590 -15.122 440 HB2 HIS 60 HB2 HIS 60 0.262 -15.415 -13.266 441 HB3 HIS 60 HB1 HIS 60 -0.979 -14.543 -12.365 442 HD2 HIS 60 HD2 HIS 60 -2.868 -14.023 -15.189 443 HE1 HIS 60 HE1 HIS 60 -3.180 -18.231 -15.051 444 HE2 HIS 60 HE2 HIS 60 -4.186 -16.116 -16.031 445 H HIS 61 HN HIS 61 -0.230 -12.736 -11.665 446 HA HIS 61 HA HIS 61 -1.820 -10.313 -12.189 447 HB2 HIS 61 HB2 HIS 61 -3.392 -12.024 -11.399 448 HB3 HIS 61 HB1 HIS 61 -2.377 -12.317 -9.987 449 HD2 HIS 61 HD2 HIS 61 -2.603 -10.385 -7.941 450 HE1 HIS 61 HE1 HIS 61 -5.462 -7.961 -9.885 451 HE2 HIS 61 HE2 HIS 61 -4.237 -8.362 -7.697 452 H HIS 62 HN HIS 62 -1.875 -8.937 -10.102 453 HA HIS 62 HA HIS 62 0.779 -8.250 -9.429 454 HB2 HIS 62 HB2 HIS 62 -1.851 -7.514 -8.126 455 HB3 HIS 62 HB1 HIS 62 -0.302 -6.778 -7.714 456 HD2 HIS 62 HD2 HIS 62 -3.069 -6.404 -10.366 457 HE1 HIS 62 HE1 HIS 62 0.229 -4.156 -11.744 458 HE2 HIS 62 HE2 HIS 62 -2.234 -4.653 -12.114 459 H HIS 63 HN HIS 63 -1.432 -8.681 -6.765 460 HA HIS 63 HA HIS 63 0.592 -10.230 -5.344 461 HB2 HIS 63 HB2 HIS 63 -2.045 -9.032 -4.466 462 HB3 HIS 63 HB1 HIS 63 -0.961 -9.929 -3.402 463 HD2 HIS 63 HD2 HIS 63 1.551 -8.598 -2.878 464 HE1 HIS 63 HE1 HIS 63 0.315 -4.880 -4.454 465 HE2 HIS 63 HE2 HIS 63 2.114 -6.057 -3.101 466 H HIS 64 HN HIS 64 -0.560 -11.614 -7.493 467 HA HIS 64 HA HIS 64 -1.775 -13.504 -8.055 468 HB2 HIS 64 HB2 HIS 64 -1.046 -14.542 -5.335 469 HB3 HIS 64 HB1 HIS 64 -1.030 -15.377 -6.889 470 HD2 HIS 64 HD2 HIS 64 0.839 -12.968 -8.417 471 HE1 HIS 64 HE1 HIS 64 3.718 -14.155 -5.567 472 HE2 HIS 64 HE2 HIS 64 3.366 -12.925 -7.760 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 56.637 -7.546 16.767 2 H2 MET 1 HT2 MET 1 58.283 -7.219 16.504 3 H3 MET 1 HT3 MET 1 57.262 -6.009 17.119 4 HA MET 1 HA MET 1 57.936 -8.540 18.514 5 HB2 MET 1 HB2 MET 1 58.891 -5.697 18.975 6 HB3 MET 1 HB1 MET 1 59.266 -7.080 20.003 7 HG2 MET 1 HG2 MET 1 60.251 -8.204 17.953 8 HG3 MET 1 HG1 MET 1 60.084 -6.659 17.120 9 HE1 MET 1 HE1 MET 1 61.399 -4.603 17.496 10 HE2 MET 1 HE2 MET 1 62.300 -5.830 16.608 11 HE3 MET 1 HE3 MET 1 63.118 -4.857 17.827 12 H GLU 2 HN GLU 2 55.792 -5.976 18.005 13 HA GLU 2 HA GLU 2 54.752 -6.018 20.750 14 HB2 GLU 2 HB2 GLU 2 53.790 -4.368 18.404 15 HB3 GLU 2 HB1 GLU 2 53.426 -4.116 20.112 16 HG2 GLU 2 HG2 GLU 2 55.889 -3.787 20.515 17 HG3 GLU 2 HG1 GLU 2 56.126 -3.838 18.768 18 H GLU 3 HN GLU 3 53.469 -7.721 21.138 19 HA GLU 3 HA GLU 3 50.952 -7.988 19.899 20 HB2 GLU 3 HB2 GLU 3 51.381 -10.290 18.884 21 HB3 GLU 3 HB1 GLU 3 52.012 -8.912 17.981 22 HG2 GLU 3 HG2 GLU 3 54.147 -9.590 18.254 23 HG3 GLU 3 HG1 GLU 3 53.910 -9.875 19.977 24 H GLY 4 HN GLY 4 49.840 -10.054 20.612 25 HA2 GLY 4 HA2 GLY 4 50.927 -11.676 22.664 26 HA3 GLY 4 HA1 GLY 4 50.009 -10.356 23.382 27 H GLY 5 HN GLY 5 47.757 -10.218 23.006 28 HA2 GLY 5 HA2 GLY 5 46.231 -11.873 21.354 29 HA3 GLY 5 HA1 GLY 5 46.400 -12.702 22.899 30 H ASP 6 HN ASP 6 45.616 -9.461 21.622 31 HA ASP 6 HA ASP 6 43.236 -9.385 23.312 32 HB2 ASP 6 HB2 ASP 6 45.288 -7.170 23.462 33 HB3 ASP 6 HB1 ASP 6 43.800 -7.316 24.396 34 H PHE 7 HN PHE 7 43.022 -9.660 20.706 35 HA PHE 7 HA PHE 7 42.287 -8.731 18.730 36 HB2 PHE 7 HB2 PHE 7 41.217 -6.555 20.536 37 HB3 PHE 7 HB1 PHE 7 40.576 -7.067 18.975 38 HD1 PHE 7 HD1 PHE 7 39.770 -9.505 18.751 39 HD2 PHE 7 HD2 PHE 7 40.485 -7.585 22.526 40 HE1 PHE 7 HE1 PHE 7 38.368 -11.209 19.883 41 HE2 PHE 7 HE2 PHE 7 39.082 -9.289 23.658 42 HZ PHE 7 HZ PHE 7 38.025 -11.101 22.336 43 H ASP 8 HN ASP 8 44.936 -8.144 19.172 44 HA ASP 8 HA ASP 8 45.387 -5.298 18.856 45 HB2 ASP 8 HB2 ASP 8 47.782 -6.147 18.410 46 HB3 ASP 8 HB1 ASP 8 47.115 -6.380 20.025 47 H ASN 9 HN ASN 9 43.708 -5.790 16.899 48 HA ASN 9 HA ASN 9 44.669 -6.812 14.474 49 HB2 ASN 9 HB2 ASN 9 42.410 -5.231 15.370 50 HB3 ASN 9 HB1 ASN 9 42.989 -4.680 13.799 51 HD21 ASN 9 HD21 ASN 9 41.594 -5.660 12.305 52 HD22 ASN 9 HD22 ASN 9 41.236 -7.319 12.275 53 H TYR 10 HN TYR 10 45.031 -5.407 12.484 54 HA TYR 10 HA TYR 10 46.404 -3.981 11.334 55 HB2 TYR 10 HB2 TYR 10 44.808 -2.415 12.692 56 HB3 TYR 10 HB1 TYR 10 46.268 -2.042 13.608 57 HD1 TYR 10 HD2 TYR 10 44.894 -2.189 10.138 58 HD2 TYR 10 HD1 TYR 10 47.897 -0.561 12.743 59 HE1 TYR 10 HE2 TYR 10 45.649 -0.677 8.323 60 HE2 TYR 10 HE1 TYR 10 48.652 0.951 10.928 61 HH TYR 10 HH TYR 10 47.119 1.893 8.566 62 H TYR 11 HN TYR 11 48.569 -3.573 11.097 63 HA TYR 11 HA TYR 11 50.798 -4.039 11.522 64 HB2 TYR 11 HB2 TYR 11 50.236 -1.743 12.579 65 HB3 TYR 11 HB1 TYR 11 50.340 -2.593 14.120 66 HD1 TYR 11 HD1 TYR 11 52.223 -1.850 10.987 67 HD2 TYR 11 HD2 TYR 11 52.439 -3.136 15.080 68 HE1 TYR 11 HE1 TYR 11 54.696 -1.705 10.903 69 HE2 TYR 11 HE2 TYR 11 54.913 -2.991 14.995 70 HH TYR 11 HH TYR 11 56.662 -2.127 13.792 71 H GLY 12 HN GLY 12 49.132 -6.174 12.292 72 HA2 GLY 12 HA2 GLY 12 50.726 -7.903 13.619 73 HA3 GLY 12 HA1 GLY 12 49.917 -7.063 14.938 74 H ALA 13 HN ALA 13 48.389 -7.638 11.844 75 HA ALA 13 HA ALA 13 46.682 -9.717 13.075 76 HB1 ALA 13 HB1 ALA 13 44.861 -8.445 12.797 77 HB2 ALA 13 HB2 ALA 13 45.241 -8.229 11.088 78 HB3 ALA 13 HB3 ALA 13 45.899 -7.114 12.285 79 H ASP 14 HN ASP 14 48.309 -8.461 10.256 80 HA ASP 14 HA ASP 14 47.344 -10.689 8.603 81 HB2 ASP 14 HB2 ASP 14 49.100 -8.339 7.858 82 HB3 ASP 14 HB1 ASP 14 48.402 -9.513 6.744 83 H ASN 15 HN ASN 15 50.161 -9.545 10.297 84 HA ASN 15 HA ASN 15 52.234 -10.884 9.062 85 HB2 ASN 15 HB2 ASN 15 51.736 -9.732 11.659 86 HB3 ASN 15 HB1 ASN 15 52.664 -11.221 11.823 87 HD21 ASN 15 HD21 ASN 15 52.657 -8.059 10.136 88 HD22 ASN 15 HD22 ASN 15 54.335 -8.020 9.881 89 H GLN 16 HN GLN 16 49.599 -12.185 10.918 90 HA GLN 16 HA GLN 16 50.865 -14.834 11.031 91 HB2 GLN 16 HB2 GLN 16 49.236 -15.426 12.625 92 HB3 GLN 16 HB1 GLN 16 49.625 -13.750 13.014 93 HG2 GLN 16 HG2 GLN 16 47.665 -13.219 11.333 94 HG3 GLN 16 HG1 GLN 16 47.169 -14.870 11.706 95 HE21 GLN 16 HE21 GLN 16 47.637 -15.163 14.385 96 HE22 GLN 16 HE22 GLN 16 46.800 -13.993 15.285 97 H SER 17 HN SER 17 48.643 -13.015 9.182 98 HA SER 17 HA SER 17 47.055 -15.219 8.230 99 HB2 SER 17 HB2 SER 17 46.086 -13.617 6.713 100 HB3 SER 17 HB1 SER 17 46.282 -12.829 8.277 101 HG SER 17 HG SER 17 48.445 -12.675 6.557 102 H GLU 18 HN GLU 18 49.858 -13.400 7.055 103 HA GLU 18 HA GLU 18 50.080 -14.361 4.476 104 HB2 GLU 18 HB2 GLU 18 52.300 -13.660 4.527 105 HB3 GLU 18 HB1 GLU 18 51.591 -12.712 5.834 106 HG2 GLU 18 HG2 GLU 18 52.259 -14.729 7.343 107 HG3 GLU 18 HG1 GLU 18 53.336 -15.158 6.015 108 H CYS 19 HN CYS 19 50.102 -16.163 7.326 109 HA CYS 19 HA CYS 19 51.891 -18.260 6.559 110 HB2 CYS 19 HB2 CYS 19 51.123 -17.734 8.918 111 HB3 CYS 19 HB1 CYS 19 49.580 -18.475 8.492 112 HG CYS 19 HG CYS 19 50.939 -20.448 9.386 113 H GLU 20 HN GLU 20 48.518 -17.555 5.991 114 HA GLU 20 HA GLU 20 48.015 -20.218 4.894 115 HB2 GLU 20 HB2 GLU 20 45.752 -19.674 4.925 116 HB3 GLU 20 HB1 GLU 20 46.362 -18.752 6.299 117 HG2 GLU 20 HG2 GLU 20 46.733 -16.851 4.556 118 HG3 GLU 20 HG1 GLU 20 45.609 -17.768 3.556 119 H TYR 21 HN TYR 21 48.849 -17.030 3.857 120 HA TYR 21 HA TYR 21 47.852 -17.044 1.230 121 HB2 TYR 21 HB2 TYR 21 48.721 -15.004 2.162 122 HB3 TYR 21 HB1 TYR 21 50.307 -15.734 2.414 123 HD1 TYR 21 HD2 TYR 21 51.811 -16.186 0.532 124 HD2 TYR 21 HD1 TYR 21 47.970 -14.356 -0.068 125 HE1 TYR 21 HE2 TYR 21 52.484 -15.524 -1.762 126 HE2 TYR 21 HE1 TYR 21 48.644 -13.693 -2.361 127 HH TYR 21 HH TYR 21 50.710 -14.894 -4.087 128 H THR 22 HN THR 22 50.752 -18.456 2.640 129 HA THR 22 HA THR 22 51.952 -19.166 0.132 130 HB THR 22 HB THR 22 53.454 -20.560 1.544 131 HG1 THR 22 HG1 THR 22 52.491 -19.591 3.890 132 HG21 THR 22 HG21 THR 22 52.912 -17.768 2.595 133 HG22 THR 22 HG22 THR 22 53.927 -18.168 1.208 134 HG23 THR 22 HG23 THR 22 54.406 -18.676 2.828 135 H ASP 23 HN ASP 23 49.502 -20.523 2.139 136 HA ASP 23 HA ASP 23 49.752 -23.186 0.956 137 HB2 ASP 23 HB2 ASP 23 48.936 -22.347 3.430 138 HB3 ASP 23 HB1 ASP 23 47.394 -22.600 2.614 139 H TRP 24 HN TRP 24 47.258 -20.644 1.223 140 HA TRP 24 HA TRP 24 45.264 -21.653 -0.332 141 HB2 TRP 24 HB2 TRP 24 44.682 -19.574 0.415 142 HB3 TRP 24 HB1 TRP 24 46.294 -18.909 0.151 143 HD1 TRP 24 HD1 TRP 24 43.085 -19.814 -1.749 144 HE1 TRP 24 HE1 TRP 24 43.039 -18.485 -3.957 145 HE3 TRP 24 HE3 TRP 24 47.710 -17.653 -1.577 146 HZ2 TRP 24 HZ2 TRP 24 44.737 -16.735 -5.452 147 HZ3 TRP 24 HZ3 TRP 24 48.468 -16.161 -3.403 148 HH2 TRP 24 HH2 TRP 24 46.990 -15.699 -5.340 149 H LYS 25 HN LYS 25 48.134 -19.918 -1.541 150 HA LYS 25 HA LYS 25 47.537 -20.042 -4.271 151 HB2 LYS 25 HB2 LYS 25 49.409 -18.741 -3.140 152 HB3 LYS 25 HB1 LYS 25 50.321 -20.251 -3.123 153 HG2 LYS 25 HG2 LYS 25 50.119 -20.424 -5.566 154 HG3 LYS 25 HG1 LYS 25 49.166 -18.940 -5.602 155 HD2 LYS 25 HD2 LYS 25 51.489 -18.306 -4.140 156 HD3 LYS 25 HD1 LYS 25 52.043 -19.249 -5.525 157 HE2 LYS 25 HE2 LYS 25 50.805 -17.766 -7.047 158 HE3 LYS 25 HE1 LYS 25 50.212 -16.834 -5.672 159 HZ1 LYS 25 HZ1 LYS 25 52.673 -16.607 -7.028 160 HZ2 LYS 25 HZ2 LYS 25 52.967 -17.009 -5.404 161 HZ3 LYS 25 HZ3 LYS 25 52.049 -15.631 -5.790 162 H SER 26 HN SER 26 48.847 -22.451 -2.096 163 HA SER 26 HA SER 26 49.619 -24.260 -4.223 164 HB2 SER 26 HB2 SER 26 49.327 -24.857 -1.274 165 HB3 SER 26 HB1 SER 26 50.251 -25.771 -2.463 166 HG SER 26 HG SER 26 51.010 -23.221 -2.560 167 H SER 27 HN SER 27 47.076 -24.158 -1.728 168 HA SER 27 HA SER 27 45.735 -26.469 -2.847 169 HB2 SER 27 HB2 SER 27 44.462 -24.638 -0.849 170 HB3 SER 27 HB1 SER 27 44.352 -26.391 -0.987 171 HG SER 27 HG SER 27 46.302 -24.788 0.187 172 H GLY 28 HN GLY 28 45.968 -23.345 -3.818 173 HA2 GLY 28 HA2 GLY 28 43.175 -22.921 -4.531 174 HA3 GLY 28 HA1 GLY 28 44.520 -21.838 -4.874 175 H ALA 29 HN ALA 29 45.378 -24.958 -5.696 176 HA ALA 29 HA ALA 29 44.873 -24.400 -8.542 177 HB1 ALA 29 HB1 ALA 29 46.985 -25.087 -8.815 178 HB2 ALA 29 HB2 ALA 29 46.534 -26.680 -8.206 179 HB3 ALA 29 HB3 ALA 29 47.108 -25.440 -7.091 180 H LEU 30 HN LEU 30 43.533 -26.103 -6.046 181 HA LEU 30 HA LEU 30 42.334 -28.063 -7.906 182 HB2 LEU 30 HB2 LEU 30 42.319 -29.730 -6.118 183 HB3 LEU 30 HB1 LEU 30 43.970 -29.196 -6.439 184 HG LEU 30 HG LEU 30 43.103 -27.383 -4.539 185 HD11 LEU 30 HD11 LEU 30 42.116 -28.749 -2.740 186 HD12 LEU 30 HD12 LEU 30 42.073 -30.145 -3.818 187 HD13 LEU 30 HD13 LEU 30 41.068 -28.736 -4.158 188 HD21 LEU 30 HD21 LEU 30 44.582 -30.011 -4.202 189 HD22 LEU 30 HD22 LEU 30 44.560 -28.722 -3.000 190 HD23 LEU 30 HD23 LEU 30 45.297 -28.444 -4.577 191 H ILE 31 HN ILE 31 41.860 -25.495 -5.845 192 HA ILE 31 HA ILE 31 39.339 -26.314 -4.713 193 HB ILE 31 HB ILE 31 40.947 -23.787 -4.709 194 HG12 ILE 31 HG12 ILE 31 39.597 -25.313 -2.471 195 HG13 ILE 31 HG11 ILE 31 41.209 -25.719 -3.064 196 HG21 ILE 31 HG21 ILE 31 38.000 -24.081 -4.125 197 HG22 ILE 31 HG22 ILE 31 38.815 -22.824 -5.060 198 HG23 ILE 31 HG23 ILE 31 38.977 -22.864 -3.304 199 HD11 ILE 31 HD11 ILE 31 42.072 -23.568 -2.453 200 HD12 ILE 31 HD12 ILE 31 41.154 -24.148 -1.063 201 HD13 ILE 31 HD13 ILE 31 40.455 -22.938 -2.139 202 HA PRO 32 HA PRO 32 37.863 -23.258 -8.271 203 HB2 PRO 32 HB2 PRO 32 39.538 -24.374 -10.452 204 HB3 PRO 32 HB1 PRO 32 39.098 -22.690 -10.116 205 HG2 PRO 32 HG2 PRO 32 41.559 -23.620 -9.670 206 HG3 PRO 32 HG1 PRO 32 40.813 -22.394 -8.631 207 HD2 PRO 32 HD2 PRO 32 41.218 -25.315 -8.110 208 HD3 PRO 32 HD1 PRO 32 41.292 -23.945 -6.981 209 H ALA 33 HN ALA 33 38.819 -26.597 -8.426 210 HA ALA 33 HA ALA 33 37.116 -27.545 -10.443 211 HB1 ALA 33 HB1 ALA 33 38.382 -29.319 -9.870 212 HB2 ALA 33 HB2 ALA 33 37.203 -29.594 -8.587 213 HB3 ALA 33 HB3 ALA 33 38.677 -28.686 -8.251 214 H ILE 34 HN ILE 34 36.563 -27.963 -6.941 215 HA ILE 34 HA ILE 34 33.883 -28.664 -7.089 216 HB ILE 34 HB ILE 34 35.558 -27.368 -4.963 217 HG12 ILE 34 HG12 ILE 34 35.129 -29.486 -3.828 218 HG13 ILE 34 HG11 ILE 34 33.978 -29.957 -5.078 219 HG21 ILE 34 HG21 ILE 34 32.560 -27.697 -5.005 220 HG22 ILE 34 HG22 ILE 34 33.510 -26.313 -4.464 221 HG23 ILE 34 HG23 ILE 34 33.455 -27.781 -3.488 222 HD11 ILE 34 HD11 ILE 34 36.313 -30.951 -5.310 223 HD12 ILE 34 HD12 ILE 34 36.873 -29.321 -5.682 224 HD13 ILE 34 HD13 ILE 34 35.699 -30.111 -6.735 225 H TYR 35 HN TYR 35 35.295 -25.423 -6.669 226 HA TYR 35 HA TYR 35 33.034 -23.889 -6.401 227 HB2 TYR 35 HB2 TYR 35 35.759 -23.461 -7.253 228 HB3 TYR 35 HB1 TYR 35 34.657 -22.464 -8.203 229 HD1 TYR 35 HD1 TYR 35 35.447 -23.458 -4.683 230 HD2 TYR 35 HD2 TYR 35 33.743 -20.499 -7.288 231 HE1 TYR 35 HE1 TYR 35 35.178 -21.917 -2.758 232 HE2 TYR 35 HE2 TYR 35 33.474 -18.958 -5.364 233 HH TYR 35 HH TYR 35 34.812 -18.784 -2.951 234 H MET 36 HN MET 36 34.613 -24.582 -9.532 235 HA MET 36 HA MET 36 32.563 -23.557 -11.146 236 HB2 MET 36 HB2 MET 36 34.855 -25.416 -11.553 237 HB3 MET 36 HB1 MET 36 33.602 -25.376 -12.794 238 HG2 MET 36 HG2 MET 36 34.919 -22.876 -11.713 239 HG3 MET 36 HG1 MET 36 35.513 -23.734 -13.135 240 HE1 MET 36 HE1 MET 36 34.390 -20.746 -12.562 241 HE2 MET 36 HE2 MET 36 32.959 -21.268 -11.676 242 HE3 MET 36 HE3 MET 36 32.775 -20.402 -13.198 243 H LEU 37 HN LEU 37 33.284 -26.995 -10.486 244 HA LEU 37 HA LEU 37 31.073 -28.137 -11.668 245 HB2 LEU 37 HB2 LEU 37 33.091 -29.238 -10.456 246 HB3 LEU 37 HB1 LEU 37 32.067 -29.155 -9.022 247 HG LEU 37 HG LEU 37 30.289 -30.166 -10.796 248 HD11 LEU 37 HD11 LEU 37 31.408 -31.842 -12.185 249 HD12 LEU 37 HD12 LEU 37 32.982 -31.323 -11.581 250 HD13 LEU 37 HD13 LEU 37 32.020 -30.238 -12.585 251 HD21 LEU 37 HD21 LEU 37 30.807 -31.112 -8.594 252 HD22 LEU 37 HD22 LEU 37 32.352 -31.714 -9.194 253 HD23 LEU 37 HD23 LEU 37 30.843 -32.387 -9.810 254 H VAL 38 HN VAL 38 31.098 -25.983 -9.069 255 HA VAL 38 HA VAL 38 28.379 -26.805 -8.239 256 HB VAL 38 HB VAL 38 30.574 -25.397 -6.717 257 HG11 VAL 38 HG11 VAL 38 28.752 -25.457 -4.863 258 HG12 VAL 38 HG12 VAL 38 27.610 -25.587 -6.202 259 HG13 VAL 38 HG13 VAL 38 28.663 -24.178 -6.074 260 HG21 VAL 38 HG21 VAL 38 28.960 -27.912 -6.182 261 HG22 VAL 38 HG22 VAL 38 30.254 -27.280 -5.164 262 HG23 VAL 38 HG23 VAL 38 30.618 -27.877 -6.782 263 H PHE 39 HN PHE 39 30.222 -24.446 -9.833 264 HA PHE 39 HA PHE 39 28.281 -22.304 -9.332 265 HB2 PHE 39 HB2 PHE 39 30.827 -21.954 -9.362 266 HB3 PHE 39 HB1 PHE 39 30.705 -22.125 -11.114 267 HD1 PHE 39 HD2 PHE 39 29.223 -20.242 -8.235 268 HD2 PHE 39 HD1 PHE 39 30.116 -20.278 -12.437 269 HE1 PHE 39 HE2 PHE 39 28.475 -17.884 -8.414 270 HE2 PHE 39 HE1 PHE 39 29.367 -17.921 -12.616 271 HZ PHE 39 HZ PHE 39 28.547 -16.724 -10.604 272 H LEU 40 HN LEU 40 28.936 -24.775 -11.585 273 HA LEU 40 HA LEU 40 27.297 -23.429 -13.646 274 HB2 LEU 40 HB2 LEU 40 28.312 -24.989 -15.247 275 HB3 LEU 40 HB1 LEU 40 29.549 -24.056 -14.406 276 HG LEU 40 HG LEU 40 29.221 -26.236 -12.744 277 HD11 LEU 40 HD11 LEU 40 29.321 -28.209 -14.222 278 HD12 LEU 40 HD12 LEU 40 29.088 -27.172 -15.629 279 HD13 LEU 40 HD13 LEU 40 27.799 -27.345 -14.439 280 HD21 LEU 40 HD21 LEU 40 31.403 -26.955 -13.669 281 HD22 LEU 40 HD22 LEU 40 31.353 -25.206 -13.452 282 HD23 LEU 40 HD23 LEU 40 31.157 -25.902 -15.061 283 H LEU 41 HN LEU 41 26.985 -25.505 -11.162 284 HA LEU 41 HA LEU 41 25.160 -27.339 -12.573 285 HB2 LEU 41 HB2 LEU 41 26.975 -27.626 -10.344 286 HB3 LEU 41 HB1 LEU 41 25.341 -28.089 -9.872 287 HG LEU 41 HG LEU 41 26.741 -29.100 -12.364 288 HD11 LEU 41 HD11 LEU 41 26.584 -30.137 -9.551 289 HD12 LEU 41 HD12 LEU 41 27.948 -30.149 -10.669 290 HD13 LEU 41 HD13 LEU 41 26.617 -31.283 -10.892 291 HD21 LEU 41 HD21 LEU 41 24.721 -29.944 -12.908 292 HD22 LEU 41 HD22 LEU 41 24.021 -29.104 -11.525 293 HD23 LEU 41 HD23 LEU 41 24.618 -30.754 -11.345 294 H GLY 42 HN GLY 42 25.239 -25.724 -9.382 295 HA2 GLY 42 HA2 GLY 42 22.307 -25.506 -9.502 296 HA3 GLY 42 HA1 GLY 42 23.289 -25.385 -8.047 297 H THR 43 HN THR 43 24.689 -23.651 -10.584 298 HA THR 43 HA THR 43 23.314 -21.156 -9.794 299 HB THR 43 HB THR 43 26.152 -20.803 -10.388 300 HG1 THR 43 HG1 THR 43 25.652 -22.913 -9.038 301 HG21 THR 43 HG21 THR 43 24.560 -20.121 -7.910 302 HG22 THR 43 HG22 THR 43 24.495 -19.158 -9.386 303 HG23 THR 43 HG23 THR 43 26.016 -19.325 -8.510 304 H THR 44 HN THR 44 23.010 -22.878 -12.136 305 HA THR 44 HA THR 44 23.614 -20.853 -14.185 306 HB THR 44 HB THR 44 24.400 -23.747 -14.208 307 HG1 THR 44 HG1 THR 44 25.692 -21.663 -15.534 308 HG21 THR 44 HG21 THR 44 23.483 -22.088 -16.551 309 HG22 THR 44 HG22 THR 44 23.077 -23.760 -16.158 310 HG23 THR 44 HG23 THR 44 24.687 -23.360 -16.755 311 H GLY 45 HN GLY 45 21.896 -23.886 -13.458 312 HA2 GLY 45 HA2 GLY 45 19.732 -23.053 -15.282 313 HA3 GLY 45 HA1 GLY 45 20.007 -24.694 -14.704 314 H ASN 46 HN ASN 46 20.541 -22.798 -12.100 315 HA ASN 46 HA ASN 46 17.853 -23.308 -11.045 316 HB2 ASN 46 HB2 ASN 46 20.556 -23.137 -9.931 317 HB3 ASN 46 HB1 ASN 46 19.352 -22.276 -8.973 318 HD21 ASN 46 HD21 ASN 46 20.413 -25.457 -10.025 319 HD22 ASN 46 HD22 ASN 46 19.301 -26.338 -9.095 320 H GLY 47 HN GLY 47 20.230 -20.653 -11.193 321 HA2 GLY 47 HA2 GLY 47 18.503 -18.665 -10.141 322 HA3 GLY 47 HA1 GLY 47 19.972 -18.369 -11.067 323 H LEU 48 HN LEU 48 19.349 -19.580 -13.476 324 HA LEU 48 HA LEU 48 17.898 -17.589 -14.807 325 HB2 LEU 48 HB2 LEU 48 19.544 -19.151 -15.869 326 HB3 LEU 48 HB1 LEU 48 18.344 -20.433 -15.741 327 HG LEU 48 HG LEU 48 16.766 -19.054 -17.098 328 HD11 LEU 48 HD11 LEU 48 17.321 -16.820 -16.946 329 HD12 LEU 48 HD12 LEU 48 18.172 -17.211 -18.441 330 HD13 LEU 48 HD13 LEU 48 19.056 -17.140 -16.917 331 HD21 LEU 48 HD21 LEU 48 18.782 -19.027 -19.075 332 HD22 LEU 48 HD22 LEU 48 17.632 -20.323 -18.744 333 HD23 LEU 48 HD23 LEU 48 19.214 -20.328 -17.965 334 H VAL 49 HN VAL 49 16.913 -20.883 -13.872 335 HA VAL 49 HA VAL 49 14.298 -20.778 -14.889 336 HB VAL 49 HB VAL 49 15.611 -22.363 -12.697 337 HG11 VAL 49 HG11 VAL 49 13.448 -22.255 -11.796 338 HG12 VAL 49 HG12 VAL 49 13.356 -23.687 -12.823 339 HG13 VAL 49 HG13 VAL 49 12.688 -22.154 -13.385 340 HG21 VAL 49 HG21 VAL 49 15.796 -22.707 -15.302 341 HG22 VAL 49 HG22 VAL 49 14.188 -23.409 -15.130 342 HG23 VAL 49 HG23 VAL 49 15.551 -24.105 -14.254 343 H LEU 50 HN LEU 50 15.130 -20.633 -11.423 344 HA LEU 50 HA LEU 50 12.768 -19.719 -10.413 345 HB2 LEU 50 HB2 LEU 50 15.602 -19.079 -9.611 346 HB3 LEU 50 HB1 LEU 50 14.221 -18.472 -8.698 347 HG LEU 50 HG LEU 50 14.259 -21.379 -9.380 348 HD11 LEU 50 HD11 LEU 50 16.144 -19.992 -7.498 349 HD12 LEU 50 HD12 LEU 50 16.442 -21.367 -8.561 350 HD13 LEU 50 HD13 LEU 50 15.520 -21.586 -7.074 351 HD21 LEU 50 HD21 LEU 50 13.583 -20.046 -6.759 352 HD22 LEU 50 HD22 LEU 50 12.957 -21.557 -7.418 353 HD23 LEU 50 HD23 LEU 50 12.445 -20.017 -8.106 354 H TRP 51 HN TRP 51 15.133 -17.899 -12.236 355 HA TRP 51 HA TRP 51 13.978 -15.322 -11.661 356 HB2 TRP 51 HB2 TRP 51 16.325 -15.430 -12.225 357 HB3 TRP 51 HB1 TRP 51 15.964 -16.234 -13.752 358 HD1 TRP 51 HD1 TRP 51 15.690 -12.847 -12.004 359 HE1 TRP 51 HE1 TRP 51 15.303 -11.025 -13.786 360 HE3 TRP 51 HE3 TRP 51 15.063 -15.775 -16.140 361 HZ2 TRP 51 HZ2 TRP 51 14.794 -10.834 -16.594 362 HZ3 TRP 51 HZ3 TRP 51 14.628 -14.750 -18.352 363 HH2 TRP 51 HH2 TRP 51 14.493 -12.284 -18.585 364 H THR 52 HN THR 52 14.036 -17.470 -14.506 365 HA THR 52 HA THR 52 12.376 -15.910 -16.151 366 HB THR 52 HB THR 52 12.878 -18.889 -16.063 367 HG1 THR 52 HG1 THR 52 14.612 -17.537 -16.658 368 HG21 THR 52 HG21 THR 52 10.828 -18.817 -17.175 369 HG22 THR 52 HG22 THR 52 11.966 -18.626 -18.508 370 HG23 THR 52 HG23 THR 52 11.137 -17.217 -17.849 371 H VAL 53 HN VAL 53 11.598 -18.503 -13.854 372 HA VAL 53 HA VAL 53 8.820 -18.559 -14.372 373 HB VAL 53 HB VAL 53 10.469 -19.403 -11.989 374 HG11 VAL 53 HG11 VAL 53 7.489 -19.495 -12.458 375 HG12 VAL 53 HG12 VAL 53 8.357 -18.953 -11.022 376 HG13 VAL 53 HG13 VAL 53 8.289 -20.671 -11.415 377 HG21 VAL 53 HG21 VAL 53 10.478 -21.482 -12.963 378 HG22 VAL 53 HG22 VAL 53 10.276 -20.536 -14.438 379 HG23 VAL 53 HG23 VAL 53 8.873 -21.274 -13.664 380 H PHE 54 HN PHE 54 10.729 -16.922 -11.851 381 HA PHE 54 HA PHE 54 8.712 -15.739 -10.391 382 HB2 PHE 54 HB2 PHE 54 11.534 -15.061 -10.991 383 HB3 PHE 54 HB1 PHE 54 10.535 -13.750 -10.365 384 HD1 PHE 54 HD2 PHE 54 10.322 -17.414 -9.674 385 HD2 PHE 54 HD1 PHE 54 11.202 -13.511 -8.113 386 HE1 PHE 54 HE2 PHE 54 10.498 -18.367 -7.392 387 HE2 PHE 54 HE1 PHE 54 11.378 -14.464 -5.831 388 HZ PHE 54 HZ PHE 54 11.027 -16.892 -5.470 389 H ARG 55 HN ARG 55 9.399 -15.279 -13.670 390 HA ARG 55 HA ARG 55 8.061 -12.652 -13.732 391 HB2 ARG 55 HB2 ARG 55 9.684 -14.115 -15.825 392 HB3 ARG 55 HB1 ARG 55 8.869 -12.575 -16.095 393 HG2 ARG 55 HG2 ARG 55 10.159 -11.635 -14.146 394 HG3 ARG 55 HG1 ARG 55 11.074 -13.143 -14.095 395 HD2 ARG 55 HD2 ARG 55 11.069 -11.006 -16.202 396 HD3 ARG 55 HD1 ARG 55 12.437 -11.813 -15.442 397 HE ARG 55 HE ARG 55 11.235 -13.838 -16.784 398 HH11 ARG 55 HH21 ARG 55 12.178 -10.621 -17.642 399 HH12 ARG 55 HH22 ARG 55 12.483 -11.006 -19.303 400 HH21 ARG 55 HH11 ARG 55 11.632 -14.350 -18.961 401 HH22 ARG 55 HH12 ARG 55 12.174 -13.117 -20.050 402 H LYS 56 HN LYS 56 7.661 -15.998 -14.500 403 HA LYS 56 HA LYS 56 5.361 -15.460 -16.234 404 HB2 LYS 56 HB2 LYS 56 5.620 -17.567 -17.061 405 HB3 LYS 56 HB1 LYS 56 7.255 -17.359 -16.438 406 HG2 LYS 56 HG2 LYS 56 6.398 -18.378 -14.246 407 HG3 LYS 56 HG1 LYS 56 4.945 -18.831 -15.137 408 HD2 LYS 56 HD2 LYS 56 7.696 -19.590 -16.138 409 HD3 LYS 56 HD1 LYS 56 6.826 -20.588 -14.977 410 HE2 LYS 56 HE2 LYS 56 4.895 -20.681 -16.559 411 HE3 LYS 56 HE1 LYS 56 5.859 -19.790 -17.737 412 HZ1 LYS 56 HZ1 LYS 56 6.778 -22.323 -16.512 413 HZ2 LYS 56 HZ2 LYS 56 7.403 -21.535 -17.882 414 HZ3 LYS 56 HZ3 LYS 56 5.877 -22.280 -17.949 415 H LYS 57 HN LYS 57 6.152 -16.529 -13.012 416 HA LYS 57 HA LYS 57 3.325 -17.160 -12.473 417 HB2 LYS 57 HB2 LYS 57 5.406 -18.638 -11.793 418 HB3 LYS 57 HB1 LYS 57 5.488 -17.512 -10.438 419 HG2 LYS 57 HG2 LYS 57 2.876 -17.999 -10.327 420 HG3 LYS 57 HG1 LYS 57 3.358 -19.496 -11.127 421 HD2 LYS 57 HD2 LYS 57 5.021 -19.900 -9.328 422 HD3 LYS 57 HD1 LYS 57 4.473 -18.434 -8.514 423 HE2 LYS 57 HE2 LYS 57 2.754 -19.546 -7.580 424 HE3 LYS 57 HE1 LYS 57 2.198 -20.078 -9.166 425 HZ1 LYS 57 HZ1 LYS 57 3.191 -21.694 -7.248 426 HZ2 LYS 57 HZ2 LYS 57 4.552 -21.448 -8.235 427 HZ3 LYS 57 HZ3 LYS 57 3.121 -22.077 -8.899 428 H GLY 58 HN GLY 58 5.603 -14.676 -12.155 429 HA2 GLY 58 HA2 GLY 58 4.493 -13.520 -9.730 430 HA3 GLY 58 HA1 GLY 58 5.759 -12.826 -10.740 431 H HIS 59 HN HIS 59 4.175 -13.159 -13.201 432 HA HIS 59 HA HIS 59 2.969 -10.635 -13.336 433 HB2 HIS 59 HB2 HIS 59 3.123 -13.025 -15.054 434 HB3 HIS 59 HB1 HIS 59 1.706 -12.012 -15.326 435 HD2 HIS 59 HD2 HIS 59 4.932 -12.154 -16.960 436 HE1 HIS 59 HE1 HIS 59 4.442 -8.000 -16.384 437 HE2 HIS 59 HE2 HIS 59 5.759 -9.772 -17.639 438 H HIS 60 HN HIS 60 1.832 -13.516 -11.929 439 HA HIS 60 HA HIS 60 -0.990 -12.782 -12.179 440 HB2 HIS 60 HB2 HIS 60 0.362 -15.219 -11.948 441 HB3 HIS 60 HB1 HIS 60 -0.439 -14.999 -10.392 442 HD2 HIS 60 HD2 HIS 60 -1.356 -16.386 -13.754 443 HE1 HIS 60 HE1 HIS 60 -4.992 -14.922 -12.188 444 HE2 HIS 60 HE2 HIS 60 -3.956 -16.368 -13.999 445 H HIS 61 HN HIS 61 1.221 -11.376 -10.523 446 HA HIS 61 HA HIS 61 0.061 -11.596 -7.840 447 HB2 HIS 61 HB2 HIS 61 2.607 -11.458 -8.420 448 HB3 HIS 61 HB1 HIS 61 2.294 -9.729 -8.569 449 HD2 HIS 61 HD2 HIS 61 1.998 -12.517 -5.755 450 HE1 HIS 61 HE1 HIS 61 2.072 -8.716 -3.920 451 HE2 HIS 61 HE2 HIS 61 2.061 -11.218 -3.491 452 H HIS 62 HN HIS 62 -1.575 -10.486 -9.909 453 HA HIS 62 HA HIS 62 -3.115 -8.769 -10.031 454 HB2 HIS 62 HB2 HIS 62 -2.415 -8.605 -7.461 455 HB3 HIS 62 HB1 HIS 62 -1.688 -7.099 -8.018 456 HD2 HIS 62 HD2 HIS 62 -4.102 -6.289 -10.196 457 HE1 HIS 62 HE1 HIS 62 -6.597 -6.407 -6.793 458 HE2 HIS 62 HE2 HIS 62 -6.403 -5.579 -9.185 459 H HIS 63 HN HIS 63 -0.003 -7.228 -9.184 460 HA HIS 63 HA HIS 63 -0.300 -5.213 -11.201 461 HB2 HIS 63 HB2 HIS 63 2.081 -6.035 -9.521 462 HB3 HIS 63 HB1 HIS 63 2.039 -4.617 -10.569 463 HD2 HIS 63 HD2 HIS 63 1.762 -2.566 -8.710 464 HE1 HIS 63 HE1 HIS 63 -1.499 -4.184 -6.571 465 HE2 HIS 63 HE2 HIS 63 0.005 -2.154 -6.823 466 H HIS 64 HN HIS 64 -0.670 -7.443 -12.606 467 HA HIS 64 HA HIS 64 1.335 -8.941 -13.664 468 HB2 HIS 64 HB2 HIS 64 0.076 -8.647 -15.910 469 HB3 HIS 64 HB1 HIS 64 -0.803 -9.340 -14.547 470 HD2 HIS 64 HD2 HIS 64 -3.200 -8.157 -15.747 471 HE1 HIS 64 HE1 HIS 64 -2.164 -4.222 -14.623 472 HE2 HIS 64 HE2 HIS 64 -4.037 -5.696 -15.499 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 43.545 -5.177 6.947 2 H2 MET 1 HT2 MET 1 42.357 -6.325 7.346 3 H3 MET 1 HT3 MET 1 43.502 -5.846 8.505 4 HA MET 1 HA MET 1 41.744 -4.591 9.181 5 HB2 MET 1 HB2 MET 1 43.685 -3.136 8.511 6 HB3 MET 1 HB1 MET 1 42.888 -2.872 6.961 7 HG2 MET 1 HG2 MET 1 40.922 -2.396 8.931 8 HG3 MET 1 HG1 MET 1 42.382 -1.583 9.495 9 HE1 MET 1 HE1 MET 1 42.577 1.022 8.816 10 HE2 MET 1 HE2 MET 1 41.077 0.399 9.497 11 HE3 MET 1 HE3 MET 1 41.020 1.535 8.152 12 H GLU 2 HN GLU 2 40.011 -5.979 8.336 13 HA GLU 2 HA GLU 2 38.399 -4.522 6.359 14 HB2 GLU 2 HB2 GLU 2 39.461 -7.279 6.082 15 HB3 GLU 2 HB1 GLU 2 37.769 -7.042 5.641 16 HG2 GLU 2 HG2 GLU 2 39.890 -5.151 4.642 17 HG3 GLU 2 HG1 GLU 2 39.585 -6.677 3.811 18 H GLU 3 HN GLU 3 36.762 -3.919 7.662 19 HA GLU 3 HA GLU 3 35.812 -5.233 9.926 20 HB2 GLU 3 HB2 GLU 3 34.259 -3.482 8.004 21 HB3 GLU 3 HB1 GLU 3 33.777 -3.877 9.654 22 HG2 GLU 3 HG2 GLU 3 36.020 -2.904 10.395 23 HG3 GLU 3 HG1 GLU 3 36.175 -2.268 8.758 24 H GLY 4 HN GLY 4 34.885 -7.156 10.145 25 HA2 GLY 4 HA2 GLY 4 32.752 -8.010 8.391 26 HA3 GLY 4 HA1 GLY 4 34.217 -8.977 8.243 27 H GLY 5 HN GLY 5 31.398 -8.375 10.080 28 HA2 GLY 5 HA2 GLY 5 30.482 -10.003 11.560 29 HA3 GLY 5 HA1 GLY 5 32.113 -10.568 11.905 30 H ASP 6 HN ASP 6 31.678 -10.411 14.163 31 HA ASP 6 HA ASP 6 32.478 -7.942 15.326 32 HB2 ASP 6 HB2 ASP 6 30.129 -7.354 14.798 33 HB3 ASP 6 HB1 ASP 6 29.587 -8.724 15.767 34 H PHE 7 HN PHE 7 33.632 -10.317 15.616 35 HA PHE 7 HA PHE 7 33.189 -10.912 18.437 36 HB2 PHE 7 HB2 PHE 7 33.529 -13.453 17.297 37 HB3 PHE 7 HB1 PHE 7 32.070 -12.818 18.057 38 HD1 PHE 7 HD1 PHE 7 30.303 -11.737 16.689 39 HD2 PHE 7 HD2 PHE 7 33.736 -13.596 14.897 40 HE1 PHE 7 HE1 PHE 7 29.153 -11.744 14.491 41 HE2 PHE 7 HE2 PHE 7 32.586 -13.604 12.700 42 HZ PHE 7 HZ PHE 7 30.294 -12.678 12.497 43 H ASP 8 HN ASP 8 35.199 -10.285 19.045 44 HA ASP 8 HA ASP 8 37.511 -10.135 19.080 45 HB2 ASP 8 HB2 ASP 8 38.521 -12.192 19.587 46 HB3 ASP 8 HB1 ASP 8 36.834 -12.434 20.040 47 H ASN 9 HN ASN 9 36.152 -10.027 16.362 48 HA ASN 9 HA ASN 9 37.555 -11.293 14.356 49 HB2 ASN 9 HB2 ASN 9 35.678 -9.917 13.793 50 HB3 ASN 9 HB1 ASN 9 36.451 -8.483 14.463 51 HD21 ASN 9 HD21 ASN 9 37.810 -7.281 13.078 52 HD22 ASN 9 HD22 ASN 9 38.231 -7.774 11.509 53 H TYR 10 HN TYR 10 38.255 -7.910 14.336 54 HA TYR 10 HA TYR 10 40.844 -8.013 13.521 55 HB2 TYR 10 HB2 TYR 10 40.171 -5.836 13.579 56 HB3 TYR 10 HB1 TYR 10 39.269 -6.045 15.080 57 HD1 TYR 10 HD1 TYR 10 42.706 -5.727 13.675 58 HD2 TYR 10 HD2 TYR 10 40.237 -5.512 17.183 59 HE1 TYR 10 HE1 TYR 10 44.603 -4.767 14.952 60 HE2 TYR 10 HE2 TYR 10 42.134 -4.553 18.460 61 HH TYR 10 HH TYR 10 44.944 -3.372 16.965 62 H TYR 11 HN TYR 11 42.705 -8.751 14.308 63 HA TYR 11 HA TYR 11 44.371 -9.269 15.829 64 HB2 TYR 11 HB2 TYR 11 43.110 -7.326 17.174 65 HB3 TYR 11 HB1 TYR 11 42.677 -8.691 18.205 66 HD1 TYR 11 HD1 TYR 11 45.596 -7.031 16.561 67 HD2 TYR 11 HD2 TYR 11 44.230 -9.578 19.739 68 HE1 TYR 11 HE1 TYR 11 47.864 -6.997 17.562 69 HE2 TYR 11 HE2 TYR 11 46.499 -9.544 20.740 70 HH TYR 11 HH TYR 11 49.066 -7.502 19.404 71 H GLY 12 HN GLY 12 42.541 -11.136 14.791 72 HA2 GLY 12 HA2 GLY 12 43.067 -13.468 16.019 73 HA3 GLY 12 HA1 GLY 12 41.692 -12.883 16.952 74 H ALA 13 HN ALA 13 42.035 -12.127 13.575 75 HA ALA 13 HA ALA 13 39.931 -14.094 12.899 76 HB1 ALA 13 HB1 ALA 13 39.840 -11.198 12.751 77 HB2 ALA 13 HB2 ALA 13 38.544 -12.371 12.520 78 HB3 ALA 13 HB3 ALA 13 39.586 -11.931 11.168 79 H ASP 14 HN ASP 14 42.808 -12.354 11.981 80 HA ASP 14 HA ASP 14 42.851 -13.635 9.340 81 HB2 ASP 14 HB2 ASP 14 44.883 -11.717 10.486 82 HB3 ASP 14 HB1 ASP 14 44.623 -12.134 8.793 83 H ASN 15 HN ASN 15 44.399 -13.730 12.472 84 HA ASN 15 HA ASN 15 46.772 -15.031 11.976 85 HB2 ASN 15 HB2 ASN 15 46.270 -14.428 14.219 86 HB3 ASN 15 HB1 ASN 15 44.785 -15.379 14.220 87 HD21 ASN 15 HD21 ASN 15 44.956 -17.665 14.599 88 HD22 ASN 15 HD22 ASN 15 46.422 -18.413 15.014 89 H GLN 16 HN GLN 16 43.523 -16.281 11.730 90 HA GLN 16 HA GLN 16 44.340 -19.049 11.566 91 HB2 GLN 16 HB2 GLN 16 41.977 -19.464 11.004 92 HB3 GLN 16 HB1 GLN 16 42.126 -18.456 12.443 93 HG2 GLN 16 HG2 GLN 16 40.732 -17.015 11.400 94 HG3 GLN 16 HG1 GLN 16 42.111 -16.604 10.382 95 HE21 GLN 16 HE21 GLN 16 39.089 -16.897 9.775 96 HE22 GLN 16 HE22 GLN 16 39.053 -17.927 8.428 97 H SER 17 HN SER 17 43.715 -16.410 9.359 98 HA SER 17 HA SER 17 43.517 -17.987 6.986 99 HB2 SER 17 HB2 SER 17 42.648 -15.687 7.110 100 HB3 SER 17 HB1 SER 17 44.286 -15.078 7.324 101 HG SER 17 HG SER 17 43.406 -16.632 5.114 102 H GLU 18 HN GLU 18 46.155 -15.996 8.335 103 HA GLU 18 HA GLU 18 48.123 -16.458 6.473 104 HB2 GLU 18 HB2 GLU 18 48.611 -16.471 9.456 105 HB3 GLU 18 HB1 GLU 18 49.727 -15.966 8.187 106 HG2 GLU 18 HG2 GLU 18 48.029 -14.194 7.548 107 HG3 GLU 18 HG1 GLU 18 47.153 -14.609 9.019 108 H CYS 19 HN CYS 19 46.585 -18.758 8.450 109 HA CYS 19 HA CYS 19 48.785 -20.672 8.387 110 HB2 CYS 19 HB2 CYS 19 46.777 -20.285 10.173 111 HB3 CYS 19 HB1 CYS 19 46.089 -21.578 9.189 112 HG CYS 19 HG CYS 19 48.986 -22.020 10.191 113 H GLU 20 HN GLU 20 45.750 -20.025 6.749 114 HA GLU 20 HA GLU 20 45.927 -22.517 5.226 115 HB2 GLU 20 HB2 GLU 20 43.881 -20.287 5.132 116 HB3 GLU 20 HB1 GLU 20 43.766 -21.825 4.276 117 HG2 GLU 20 HG2 GLU 20 44.332 -22.231 7.098 118 HG3 GLU 20 HG1 GLU 20 42.856 -21.295 6.871 119 H TYR 21 HN TYR 21 46.400 -19.064 4.853 120 HA TYR 21 HA TYR 21 46.427 -18.800 2.089 121 HB2 TYR 21 HB2 TYR 21 46.625 -16.851 3.485 122 HB3 TYR 21 HB1 TYR 21 48.133 -17.444 4.185 123 HD1 TYR 21 HD1 TYR 21 50.176 -17.667 2.734 124 HD2 TYR 21 HD2 TYR 21 46.595 -15.716 1.383 125 HE1 TYR 21 HE1 TYR 21 51.455 -16.590 0.901 126 HE2 TYR 21 HE2 TYR 21 47.873 -14.639 -0.449 127 HH TYR 21 HH TYR 21 50.418 -15.521 -1.679 128 H THR 22 HN THR 22 48.834 -20.180 4.237 129 HA THR 22 HA THR 22 50.878 -20.361 2.205 130 HB THR 22 HB THR 22 51.729 -22.076 4.097 131 HG1 THR 22 HG1 THR 22 49.835 -21.908 5.308 132 HG21 THR 22 HG21 THR 22 51.748 -19.059 4.045 133 HG22 THR 22 HG22 THR 22 53.021 -20.170 3.539 134 HG23 THR 22 HG23 THR 22 52.654 -19.970 5.253 135 H ASP 23 HN ASP 23 48.142 -22.204 3.136 136 HA ASP 23 HA ASP 23 49.161 -24.655 1.887 137 HB2 ASP 23 HB2 ASP 23 46.707 -24.000 3.507 138 HB3 ASP 23 HB1 ASP 23 46.848 -25.513 2.613 139 H TRP 24 HN TRP 24 46.241 -22.606 1.662 140 HA TRP 24 HA TRP 24 45.021 -23.622 -0.543 141 HB2 TRP 24 HB2 TRP 24 43.825 -21.823 0.160 142 HB3 TRP 24 HB1 TRP 24 45.267 -20.907 0.599 143 HD1 TRP 24 HD1 TRP 24 43.135 -21.843 -2.454 144 HE1 TRP 24 HE1 TRP 24 43.559 -20.106 -4.312 145 HE3 TRP 24 HE3 TRP 24 46.884 -19.133 -0.289 146 HZ2 TRP 24 HZ2 TRP 24 45.263 -17.865 -4.812 147 HZ3 TRP 24 HZ3 TRP 24 47.888 -17.205 -1.478 148 HH2 TRP 24 HH2 TRP 24 47.083 -16.567 -3.734 149 H LYS 25 HN LYS 25 47.836 -21.465 -0.533 150 HA LYS 25 HA LYS 25 48.098 -20.946 -3.236 151 HB2 LYS 25 HB2 LYS 25 49.551 -20.149 -1.255 152 HB3 LYS 25 HB1 LYS 25 50.484 -21.621 -1.528 153 HG2 LYS 25 HG2 LYS 25 50.866 -20.962 -3.868 154 HG3 LYS 25 HG1 LYS 25 49.910 -19.501 -3.620 155 HD2 LYS 25 HD2 LYS 25 51.515 -18.819 -1.820 156 HD3 LYS 25 HD1 LYS 25 52.510 -20.217 -2.235 157 HE2 LYS 25 HE2 LYS 25 52.754 -19.370 -4.537 158 HE3 LYS 25 HE1 LYS 25 51.754 -17.976 -4.133 159 HZ1 LYS 25 HZ1 LYS 25 53.478 -16.963 -3.205 160 HZ2 LYS 25 HZ2 LYS 25 54.474 -18.182 -3.843 161 HZ3 LYS 25 HZ3 LYS 25 53.868 -18.317 -2.262 162 H SER 26 HN SER 26 48.971 -23.857 -1.444 163 HA SER 26 HA SER 26 49.999 -25.110 -3.890 164 HB2 SER 26 HB2 SER 26 51.086 -25.257 -1.519 165 HB3 SER 26 HB1 SER 26 49.846 -26.472 -1.220 166 HG SER 26 HG SER 26 51.703 -27.441 -2.066 167 H SER 27 HN SER 27 47.349 -25.316 -1.587 168 HA SER 27 HA SER 27 46.245 -27.688 -2.873 169 HB2 SER 27 HB2 SER 27 45.171 -25.964 -0.628 170 HB3 SER 27 HB1 SER 27 44.463 -27.479 -1.179 171 HG SER 27 HG SER 27 46.717 -28.306 -0.772 172 H GLY 28 HN GLY 28 46.478 -24.778 -4.014 173 HA2 GLY 28 HA2 GLY 28 43.689 -24.168 -4.584 174 HA3 GLY 28 HA1 GLY 28 45.094 -23.258 -5.134 175 H ALA 29 HN ALA 29 46.077 -26.185 -5.856 176 HA ALA 29 HA ALA 29 45.104 -26.027 -8.612 177 HB1 ALA 29 HB1 ALA 29 47.086 -28.070 -7.692 178 HB2 ALA 29 HB2 ALA 29 47.590 -26.383 -7.782 179 HB3 ALA 29 HB3 ALA 29 46.998 -27.204 -9.226 180 H LEU 30 HN LEU 30 43.146 -26.814 -6.813 181 HA LEU 30 HA LEU 30 42.267 -29.259 -7.960 182 HB2 LEU 30 HB2 LEU 30 42.303 -30.684 -5.978 183 HB3 LEU 30 HB1 LEU 30 43.944 -30.193 -6.399 184 HG LEU 30 HG LEU 30 43.105 -28.156 -4.724 185 HD11 LEU 30 HD11 LEU 30 42.112 -30.811 -3.642 186 HD12 LEU 30 HD12 LEU 30 41.090 -29.459 -4.128 187 HD13 LEU 30 HD13 LEU 30 42.171 -29.294 -2.745 188 HD21 LEU 30 HD21 LEU 30 45.307 -29.151 -4.640 189 HD22 LEU 30 HD22 LEU 30 44.638 -30.708 -4.153 190 HD23 LEU 30 HD23 LEU 30 44.581 -29.339 -3.043 191 H ILE 31 HN ILE 31 41.977 -26.771 -5.513 192 HA ILE 31 HA ILE 31 39.334 -27.439 -4.689 193 HB ILE 31 HB ILE 31 41.115 -25.057 -4.333 194 HG12 ILE 31 HG12 ILE 31 39.555 -26.717 -2.342 195 HG13 ILE 31 HG11 ILE 31 41.164 -27.169 -2.908 196 HG21 ILE 31 HG21 ILE 31 39.148 -24.148 -2.917 197 HG22 ILE 31 HG22 ILE 31 38.130 -25.192 -3.908 198 HG23 ILE 31 HG23 ILE 31 39.075 -23.907 -4.662 199 HD11 ILE 31 HD11 ILE 31 40.622 -25.479 -0.774 200 HD12 ILE 31 HD12 ILE 31 41.012 -24.366 -2.085 201 HD13 ILE 31 HD13 ILE 31 42.167 -25.611 -1.612 202 HA PRO 32 HA PRO 32 38.205 -23.933 -7.916 203 HB2 PRO 32 HB2 PRO 32 39.958 -24.787 -10.145 204 HB3 PRO 32 HB1 PRO 32 39.578 -23.154 -9.573 205 HG2 PRO 32 HG2 PRO 32 41.967 -24.281 -9.166 206 HG3 PRO 32 HG1 PRO 32 41.229 -23.176 -7.993 207 HD2 PRO 32 HD2 PRO 32 41.451 -26.160 -7.892 208 HD3 PRO 32 HD1 PRO 32 41.549 -24.977 -6.573 209 H ALA 33 HN ALA 33 39.156 -27.230 -8.605 210 HA ALA 33 HA ALA 33 37.536 -27.838 -10.783 211 HB1 ALA 33 HB1 ALA 33 38.484 -29.834 -10.423 212 HB2 ALA 33 HB2 ALA 33 37.476 -30.053 -8.993 213 HB3 ALA 33 HB3 ALA 33 39.056 -29.283 -8.848 214 H ILE 34 HN ILE 34 36.709 -28.736 -7.428 215 HA ILE 34 HA ILE 34 33.990 -29.190 -7.937 216 HB ILE 34 HB ILE 34 35.584 -28.620 -5.461 217 HG12 ILE 34 HG12 ILE 34 33.752 -30.918 -6.201 218 HG13 ILE 34 HG11 ILE 34 35.464 -30.879 -6.625 219 HG21 ILE 34 HG21 ILE 34 33.603 -27.490 -4.848 220 HG22 ILE 34 HG22 ILE 34 33.336 -29.128 -4.255 221 HG23 ILE 34 HG23 ILE 34 32.581 -28.603 -5.759 222 HD11 ILE 34 HD11 ILE 34 34.889 -32.094 -4.455 223 HD12 ILE 34 HD12 ILE 34 34.484 -30.511 -3.789 224 HD13 ILE 34 HD13 ILE 34 36.129 -30.847 -4.331 225 H TYR 35 HN TYR 35 35.658 -26.292 -6.734 226 HA TYR 35 HA TYR 35 33.599 -24.610 -6.146 227 HB2 TYR 35 HB2 TYR 35 36.291 -24.288 -6.609 228 HB3 TYR 35 HB1 TYR 35 35.571 -23.327 -7.900 229 HD1 TYR 35 HD1 TYR 35 35.915 -23.729 -4.257 230 HD2 TYR 35 HD2 TYR 35 34.161 -21.390 -7.404 231 HE1 TYR 35 HE1 TYR 35 35.374 -21.940 -2.626 232 HE2 TYR 35 HE2 TYR 35 33.620 -19.602 -5.774 233 HH TYR 35 HH TYR 35 33.565 -20.029 -2.530 234 H MET 36 HN MET 36 34.943 -25.109 -9.412 235 HA MET 36 HA MET 36 32.994 -23.530 -10.732 236 HB2 MET 36 HB2 MET 36 35.097 -25.472 -11.549 237 HB3 MET 36 HB1 MET 36 33.817 -25.119 -12.712 238 HG2 MET 36 HG2 MET 36 35.318 -22.927 -11.276 239 HG3 MET 36 HG1 MET 36 35.890 -23.607 -12.799 240 HE1 MET 36 HE1 MET 36 34.885 -20.523 -11.969 241 HE2 MET 36 HE2 MET 36 33.662 -21.291 -10.962 242 HE3 MET 36 HE3 MET 36 33.168 -20.227 -12.277 243 H LEU 37 HN LEU 37 33.403 -27.076 -10.628 244 HA LEU 37 HA LEU 37 31.144 -27.878 -11.949 245 HB2 LEU 37 HB2 LEU 37 32.898 -29.384 -10.986 246 HB3 LEU 37 HB1 LEU 37 32.157 -29.157 -9.401 247 HG LEU 37 HG LEU 37 30.053 -29.805 -11.182 248 HD11 LEU 37 HD11 LEU 37 32.433 -31.672 -11.432 249 HD12 LEU 37 HD12 LEU 37 31.762 -30.682 -12.727 250 HD13 LEU 37 HD13 LEU 37 30.810 -31.999 -12.040 251 HD21 LEU 37 HD21 LEU 37 29.867 -31.785 -9.730 252 HD22 LEU 37 HD22 LEU 37 30.223 -30.351 -8.767 253 HD23 LEU 37 HD23 LEU 37 31.501 -31.509 -9.129 254 H VAL 38 HN VAL 38 31.398 -26.728 -8.626 255 HA VAL 38 HA VAL 38 28.598 -27.224 -8.067 256 HB VAL 38 HB VAL 38 30.885 -26.001 -6.551 257 HG11 VAL 38 HG11 VAL 38 29.187 -24.515 -5.889 258 HG12 VAL 38 HG12 VAL 38 29.075 -25.798 -4.683 259 HG13 VAL 38 HG13 VAL 38 27.929 -25.745 -6.023 260 HG21 VAL 38 HG21 VAL 38 28.922 -28.186 -5.805 261 HG22 VAL 38 HG22 VAL 38 30.475 -27.830 -5.049 262 HG23 VAL 38 HG23 VAL 38 30.422 -28.505 -6.678 263 H PHE 39 HN PHE 39 30.591 -24.545 -9.120 264 HA PHE 39 HA PHE 39 28.675 -22.491 -8.580 265 HB2 PHE 39 HB2 PHE 39 31.131 -22.099 -8.893 266 HB3 PHE 39 HB1 PHE 39 30.917 -22.448 -10.610 267 HD1 PHE 39 HD2 PHE 39 29.339 -21.017 -11.975 268 HD2 PHE 39 HD1 PHE 39 30.531 -19.985 -7.979 269 HE1 PHE 39 HE2 PHE 39 28.597 -18.682 -12.355 270 HE2 PHE 39 HE1 PHE 39 29.790 -17.650 -8.360 271 HZ PHE 39 HZ PHE 39 28.822 -16.998 -10.549 272 H LEU 40 HN LEU 40 29.757 -23.919 -11.677 273 HA LEU 40 HA LEU 40 27.703 -22.741 -13.219 274 HB2 LEU 40 HB2 LEU 40 28.329 -24.400 -14.944 275 HB3 LEU 40 HB1 LEU 40 29.741 -23.605 -14.248 276 HG LEU 40 HG LEU 40 29.402 -25.760 -12.564 277 HD11 LEU 40 HD11 LEU 40 29.011 -26.816 -15.368 278 HD12 LEU 40 HD12 LEU 40 27.650 -26.547 -14.278 279 HD13 LEU 40 HD13 LEU 40 28.912 -27.701 -13.846 280 HD21 LEU 40 HD21 LEU 40 31.082 -25.353 -15.046 281 HD22 LEU 40 HD22 LEU 40 31.291 -26.757 -14.001 282 HD23 LEU 40 HD23 LEU 40 31.559 -25.135 -13.362 283 H LEU 41 HN LEU 41 27.364 -24.895 -10.788 284 HA LEU 41 HA LEU 41 25.232 -26.469 -12.049 285 HB2 LEU 41 HB2 LEU 41 27.014 -26.820 -9.765 286 HB3 LEU 41 HB1 LEU 41 25.335 -27.182 -9.370 287 HG LEU 41 HG LEU 41 26.741 -28.288 -11.815 288 HD11 LEU 41 HD11 LEU 41 27.836 -29.674 -10.415 289 HD12 LEU 41 HD12 LEU 41 26.269 -30.354 -9.976 290 HD13 LEU 41 HD13 LEU 41 26.962 -29.045 -9.019 291 HD21 LEU 41 HD21 LEU 41 24.559 -29.842 -10.722 292 HD22 LEU 41 HD22 LEU 41 24.716 -29.139 -12.331 293 HD23 LEU 41 HD23 LEU 41 24.027 -28.188 -11.018 294 H GLY 42 HN GLY 42 25.565 -24.847 -8.887 295 HA2 GLY 42 HA2 GLY 42 22.707 -24.341 -8.801 296 HA3 GLY 42 HA1 GLY 42 23.878 -23.963 -7.541 297 H THR 43 HN THR 43 25.115 -22.857 -10.408 298 HA THR 43 HA THR 43 23.824 -20.210 -10.162 299 HB THR 43 HB THR 43 26.722 -20.293 -10.817 300 HG1 THR 43 HG1 THR 43 25.819 -21.539 -8.709 301 HG21 THR 43 HG21 THR 43 25.395 -18.199 -10.751 302 HG22 THR 43 HG22 THR 43 26.678 -18.200 -9.542 303 HG23 THR 43 HG23 THR 43 25.012 -18.512 -9.058 304 H THR 44 HN THR 44 23.126 -22.142 -12.050 305 HA THR 44 HA THR 44 23.978 -20.786 -14.517 306 HB THR 44 HB THR 44 24.022 -23.771 -14.040 307 HG1 THR 44 HG1 THR 44 25.879 -21.751 -14.606 308 HG21 THR 44 HG21 THR 44 23.679 -22.168 -16.521 309 HG22 THR 44 HG22 THR 44 23.133 -23.804 -16.154 310 HG23 THR 44 HG23 THR 44 24.815 -23.515 -16.596 311 H GLY 45 HN GLY 45 21.864 -23.389 -13.291 312 HA2 GLY 45 HA2 GLY 45 19.725 -22.413 -15.073 313 HA3 GLY 45 HA1 GLY 45 19.806 -24.023 -14.363 314 H ASN 46 HN ASN 46 20.759 -22.254 -11.883 315 HA ASN 46 HA ASN 46 18.231 -22.377 -10.540 316 HB2 ASN 46 HB2 ASN 46 21.017 -21.877 -9.841 317 HB3 ASN 46 HB1 ASN 46 19.904 -20.834 -8.957 318 HD21 ASN 46 HD21 ASN 46 20.701 -24.249 -9.611 319 HD22 ASN 46 HD22 ASN 46 19.866 -24.868 -8.269 320 H GLY 47 HN GLY 47 20.344 -19.708 -11.590 321 HA2 GLY 47 HA2 GLY 47 18.596 -17.630 -10.739 322 HA3 GLY 47 HA1 GLY 47 19.930 -17.458 -11.876 323 H LEU 48 HN LEU 48 19.178 -19.150 -13.908 324 HA LEU 48 HA LEU 48 17.429 -17.586 -15.428 325 HB2 LEU 48 HB2 LEU 48 19.075 -19.233 -16.345 326 HB3 LEU 48 HB1 LEU 48 18.017 -20.534 -15.803 327 HG LEU 48 HG LEU 48 16.185 -19.594 -17.212 328 HD11 LEU 48 HD11 LEU 48 16.540 -17.345 -17.585 329 HD12 LEU 48 HD12 LEU 48 17.250 -17.987 -19.065 330 HD13 LEU 48 HD13 LEU 48 18.289 -17.531 -17.716 331 HD21 LEU 48 HD21 LEU 48 17.362 -21.358 -18.245 332 HD22 LEU 48 HD22 LEU 48 18.821 -20.386 -18.443 333 HD23 LEU 48 HD23 LEU 48 17.408 -20.072 -19.452 334 H VAL 49 HN VAL 49 16.821 -20.663 -13.737 335 HA VAL 49 HA VAL 49 14.110 -20.916 -14.431 336 HB VAL 49 HB VAL 49 15.773 -21.951 -12.150 337 HG11 VAL 49 HG11 VAL 49 13.718 -21.805 -11.035 338 HG12 VAL 49 HG12 VAL 49 13.630 -23.408 -11.762 339 HG13 VAL 49 HG13 VAL 49 12.789 -22.052 -12.512 340 HG21 VAL 49 HG21 VAL 49 14.272 -23.288 -14.425 341 HG22 VAL 49 HG22 VAL 49 15.339 -24.092 -13.273 342 HG23 VAL 49 HG23 VAL 49 16.000 -22.931 -14.426 343 H LEU 50 HN LEU 50 15.287 -20.054 -11.177 344 HA LEU 50 HA LEU 50 12.997 -19.092 -10.072 345 HB2 LEU 50 HB2 LEU 50 15.841 -18.138 -9.789 346 HB3 LEU 50 HB1 LEU 50 14.532 -17.413 -8.854 347 HG LEU 50 HG LEU 50 14.730 -20.396 -8.915 348 HD11 LEU 50 HD11 LEU 50 16.204 -19.977 -6.751 349 HD12 LEU 50 HD12 LEU 50 16.677 -18.520 -7.625 350 HD13 LEU 50 HD13 LEU 50 16.959 -20.107 -8.340 351 HD21 LEU 50 HD21 LEU 50 12.978 -18.787 -7.743 352 HD22 LEU 50 HD22 LEU 50 14.236 -18.669 -6.512 353 HD23 LEU 50 HD23 LEU 50 13.545 -20.239 -6.918 354 H TRP 51 HN TRP 51 14.969 -17.528 -12.504 355 HA TRP 51 HA TRP 51 13.650 -14.973 -12.301 356 HB2 TRP 51 HB2 TRP 51 15.913 -15.008 -13.123 357 HB3 TRP 51 HB1 TRP 51 15.490 -16.164 -14.384 358 HD1 TRP 51 HD1 TRP 51 15.080 -12.498 -13.409 359 HE1 TRP 51 HE1 TRP 51 14.317 -11.168 -15.482 360 HE3 TRP 51 HE3 TRP 51 14.257 -16.340 -16.671 361 HZ2 TRP 51 HZ2 TRP 51 13.468 -11.667 -18.167 362 HZ3 TRP 51 HZ3 TRP 51 13.473 -15.885 -18.978 363 HH2 TRP 51 HH2 TRP 51 13.078 -13.556 -19.728 364 H THR 52 HN THR 52 13.593 -17.650 -14.657 365 HA THR 52 HA THR 52 11.645 -16.583 -16.368 366 HB THR 52 HB THR 52 12.399 -19.434 -15.713 367 HG1 THR 52 HG1 THR 52 13.105 -19.077 -18.023 368 HG21 THR 52 HG21 THR 52 10.224 -19.734 -16.512 369 HG22 THR 52 HG22 THR 52 11.170 -19.794 -18.000 370 HG23 THR 52 HG23 THR 52 10.309 -18.319 -17.561 371 H VAL 53 HN VAL 53 11.320 -18.617 -13.480 372 HA VAL 53 HA VAL 53 8.530 -18.987 -13.623 373 HB VAL 53 HB VAL 53 10.495 -19.054 -11.337 374 HG11 VAL 53 HG11 VAL 53 7.494 -19.362 -11.331 375 HG12 VAL 53 HG12 VAL 53 8.508 -18.440 -10.220 376 HG13 VAL 53 HG13 VAL 53 8.496 -20.201 -10.146 377 HG21 VAL 53 HG21 VAL 53 10.441 -21.359 -11.629 378 HG22 VAL 53 HG22 VAL 53 10.192 -20.828 -13.293 379 HG23 VAL 53 HG23 VAL 53 8.817 -21.337 -12.314 380 H PHE 54 HN PHE 54 10.487 -16.574 -11.889 381 HA PHE 54 HA PHE 54 8.459 -15.196 -10.587 382 HB2 PHE 54 HB2 PHE 54 11.215 -14.753 -11.220 383 HB3 PHE 54 HB1 PHE 54 10.315 -13.270 -11.539 384 HD1 PHE 54 HD2 PHE 54 9.024 -12.164 -9.748 385 HD2 PHE 54 HD1 PHE 54 11.407 -15.653 -8.978 386 HE1 PHE 54 HE2 PHE 54 8.886 -11.720 -7.313 387 HE2 PHE 54 HE1 PHE 54 11.269 -15.210 -6.542 388 HZ PHE 54 HZ PHE 54 10.010 -13.243 -5.709 389 H ARG 55 HN ARG 55 8.951 -15.552 -13.920 390 HA ARG 55 HA ARG 55 7.404 -13.123 -14.554 391 HB2 ARG 55 HB2 ARG 55 9.307 -14.845 -16.089 392 HB3 ARG 55 HB1 ARG 55 8.056 -13.966 -16.971 393 HG2 ARG 55 HG2 ARG 55 8.921 -11.893 -16.407 394 HG3 ARG 55 HG1 ARG 55 9.636 -12.483 -14.907 395 HD2 ARG 55 HD2 ARG 55 11.162 -11.935 -17.004 396 HD3 ARG 55 HD1 ARG 55 11.519 -13.312 -15.966 397 HE ARG 55 HE ARG 55 10.902 -14.731 -17.710 398 HH11 ARG 55 HH21 ARG 55 9.939 -11.464 -18.323 399 HH12 ARG 55 HH22 ARG 55 9.486 -11.760 -19.968 400 HH21 ARG 55 HH11 ARG 55 10.309 -15.126 -19.868 401 HH22 ARG 55 HH12 ARG 55 9.695 -13.833 -20.843 402 H LYS 56 HN LYS 56 7.110 -16.496 -14.203 403 HA LYS 56 HA LYS 56 4.719 -16.590 -15.922 404 HB2 LYS 56 HB2 LYS 56 5.128 -18.798 -16.262 405 HB3 LYS 56 HB1 LYS 56 6.764 -18.359 -15.780 406 HG2 LYS 56 HG2 LYS 56 6.066 -18.895 -13.380 407 HG3 LYS 56 HG1 LYS 56 4.599 -19.603 -14.058 408 HD2 LYS 56 HD2 LYS 56 7.344 -20.447 -15.009 409 HD3 LYS 56 HD1 LYS 56 6.571 -21.199 -13.616 410 HE2 LYS 56 HE2 LYS 56 4.581 -21.703 -15.063 411 HE3 LYS 56 HE1 LYS 56 5.490 -21.093 -16.446 412 HZ1 LYS 56 HZ1 LYS 56 7.265 -22.746 -15.711 413 HZ2 LYS 56 HZ2 LYS 56 5.877 -23.366 -16.470 414 HZ3 LYS 56 HZ3 LYS 56 6.042 -23.467 -14.784 415 H LYS 57 HN LYS 57 5.811 -16.754 -12.621 416 HA LYS 57 HA LYS 57 3.110 -17.448 -11.687 417 HB2 LYS 57 HB2 LYS 57 5.373 -18.491 -10.827 418 HB3 LYS 57 HB1 LYS 57 5.434 -17.024 -9.848 419 HG2 LYS 57 HG2 LYS 57 2.994 -17.591 -9.201 420 HG3 LYS 57 HG1 LYS 57 3.344 -19.198 -9.837 421 HD2 LYS 57 HD2 LYS 57 4.106 -19.621 -7.736 422 HD3 LYS 57 HD1 LYS 57 5.546 -18.754 -8.274 423 HE2 LYS 57 HE2 LYS 57 4.780 -17.811 -6.155 424 HE3 LYS 57 HE1 LYS 57 4.540 -16.631 -7.443 425 HZ1 LYS 57 HZ1 LYS 57 2.434 -18.495 -6.499 426 HZ2 LYS 57 HZ2 LYS 57 2.247 -17.185 -7.566 427 HZ3 LYS 57 HZ3 LYS 57 2.609 -16.906 -5.930 428 H GLY 58 HN GLY 58 5.456 -14.861 -11.773 429 HA2 GLY 58 HA2 GLY 58 4.085 -13.186 -9.867 430 HA3 GLY 58 HA1 GLY 58 5.427 -12.713 -10.905 431 H HIS 59 HN HIS 59 4.022 -13.699 -13.321 432 HA HIS 59 HA HIS 59 2.836 -11.303 -14.164 433 HB2 HIS 59 HB2 HIS 59 3.075 -12.356 -16.125 434 HB3 HIS 59 HB1 HIS 59 3.409 -13.871 -15.287 435 HD2 HIS 59 HD2 HIS 59 1.189 -15.631 -15.076 436 HE1 HIS 59 HE1 HIS 59 -1.475 -13.262 -17.337 437 HE2 HIS 59 HE2 HIS 59 -1.141 -15.532 -16.249 438 H HIS 60 HN HIS 60 1.601 -13.782 -12.189 439 HA HIS 60 HA HIS 60 -1.086 -12.583 -12.352 440 HB2 HIS 60 HB2 HIS 60 -1.292 -14.592 -13.657 441 HB3 HIS 60 HB1 HIS 60 -0.437 -15.536 -12.437 442 HD2 HIS 60 HD2 HIS 60 -3.250 -13.059 -11.269 443 HE1 HIS 60 HE1 HIS 60 -4.691 -16.997 -10.783 444 HE2 HIS 60 HE2 HIS 60 -5.172 -14.547 -10.316 445 H HIS 61 HN HIS 61 -0.824 -11.523 -10.402 446 HA HIS 61 HA HIS 61 0.250 -12.718 -8.059 447 HB2 HIS 61 HB2 HIS 61 -0.124 -10.207 -8.629 448 HB3 HIS 61 HB1 HIS 61 -1.747 -10.474 -7.993 449 HD2 HIS 61 HD2 HIS 61 1.780 -11.640 -6.516 450 HE1 HIS 61 HE1 HIS 61 -0.477 -9.782 -3.471 451 HE2 HIS 61 HE2 HIS 61 1.709 -10.960 -3.996 452 H HIS 62 HN HIS 62 -1.959 -11.780 -6.304 453 HA HIS 62 HA HIS 62 -3.488 -14.272 -6.331 454 HB2 HIS 62 HB2 HIS 62 -2.390 -12.760 -4.295 455 HB3 HIS 62 HB1 HIS 62 -4.104 -12.354 -4.211 456 HD2 HIS 62 HD2 HIS 62 -5.344 -15.333 -4.963 457 HE1 HIS 62 HE1 HIS 62 -3.059 -16.689 -1.682 458 HE2 HIS 62 HE2 HIS 62 -4.983 -17.260 -3.238 459 H HIS 63 HN HIS 63 -4.144 -10.772 -6.101 460 HA HIS 63 HA HIS 63 -6.676 -11.228 -7.534 461 HB2 HIS 63 HB2 HIS 63 -6.472 -9.424 -5.119 462 HB3 HIS 63 HB1 HIS 63 -7.928 -9.886 -6.000 463 HD2 HIS 63 HD2 HIS 63 -6.527 -10.857 -2.763 464 HE1 HIS 63 HE1 HIS 63 -7.881 -14.539 -4.321 465 HE2 HIS 63 HE2 HIS 63 -7.108 -13.343 -2.218 466 H HIS 64 HN HIS 64 -4.309 -10.288 -8.659 467 HA HIS 64 HA HIS 64 -3.384 -8.520 -9.814 468 HB2 HIS 64 HB2 HIS 64 -6.345 -7.950 -9.957 469 HB3 HIS 64 HB1 HIS 64 -5.152 -6.989 -10.832 470 HD2 HIS 64 HD2 HIS 64 -4.385 -8.113 -13.246 471 HE1 HIS 64 HE1 HIS 64 -5.876 -12.006 -12.575 472 HE2 HIS 64 HE2 HIS 64 -4.773 -10.480 -14.279 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 33.960 8.578 -4.259 2 H2 MET 1 HT2 MET 1 34.185 6.994 -3.688 3 H3 MET 1 HT3 MET 1 35.528 7.983 -4.011 4 HA MET 1 HA MET 1 35.018 9.426 -2.205 5 HB2 MET 1 HB2 MET 1 33.023 8.675 -0.729 6 HB3 MET 1 HB1 MET 1 32.659 9.542 -2.222 7 HG2 MET 1 HG2 MET 1 32.021 7.564 -3.351 8 HG3 MET 1 HG1 MET 1 32.806 6.529 -2.160 9 HE1 MET 1 HE1 MET 1 29.982 5.057 -1.428 10 HE2 MET 1 HE2 MET 1 30.700 5.551 -2.958 11 HE3 MET 1 HE3 MET 1 29.062 6.057 -2.559 12 H GLU 2 HN GLU 2 36.200 6.688 -2.915 13 HA GLU 2 HA GLU 2 36.253 5.386 -0.296 14 HB2 GLU 2 HB2 GLU 2 37.938 3.892 -1.715 15 HB3 GLU 2 HB1 GLU 2 36.191 3.712 -1.872 16 HG2 GLU 2 HG2 GLU 2 37.617 5.716 -3.591 17 HG3 GLU 2 HG1 GLU 2 37.677 4.009 -4.028 18 H GLU 3 HN GLU 3 37.317 7.261 0.712 19 HA GLU 3 HA GLU 3 39.827 8.256 0.004 20 HB2 GLU 3 HB2 GLU 3 39.931 9.182 2.166 21 HB3 GLU 3 HB1 GLU 3 38.203 9.062 1.837 22 HG2 GLU 3 HG2 GLU 3 39.903 7.300 3.596 23 HG3 GLU 3 HG1 GLU 3 38.423 8.162 4.008 24 H GLY 4 HN GLY 4 41.766 7.931 1.649 25 HA2 GLY 4 HA2 GLY 4 43.114 6.372 2.869 26 HA3 GLY 4 HA1 GLY 4 42.188 5.058 2.150 27 H GLY 5 HN GLY 5 45.159 6.040 2.199 28 HA2 GLY 5 HA2 GLY 5 46.146 6.744 -0.243 29 HA3 GLY 5 HA1 GLY 5 46.951 5.581 0.805 30 H ASP 6 HN ASP 6 46.558 3.335 0.499 31 HA ASP 6 HA ASP 6 44.863 2.308 -1.538 32 HB2 ASP 6 HB2 ASP 6 46.886 1.498 -2.964 33 HB3 ASP 6 HB1 ASP 6 46.269 3.132 -3.206 34 H PHE 7 HN PHE 7 44.695 1.257 0.706 35 HA PHE 7 HA PHE 7 44.889 -0.667 1.947 36 HB2 PHE 7 HB2 PHE 7 46.692 -1.937 -0.060 37 HB3 PHE 7 HB1 PHE 7 45.313 -2.617 0.807 38 HD1 PHE 7 HD2 PHE 7 43.184 -0.675 0.292 39 HD2 PHE 7 HD1 PHE 7 46.217 -2.184 -2.350 40 HE1 PHE 7 HE2 PHE 7 41.724 -0.202 -1.654 41 HE2 PHE 7 HE1 PHE 7 44.756 -1.711 -4.296 42 HZ PHE 7 HZ PHE 7 42.509 -0.719 -3.949 43 H ASP 8 HN ASP 8 46.388 -1.828 3.298 44 HA ASP 8 HA ASP 8 48.869 -0.323 3.703 45 HB2 ASP 8 HB2 ASP 8 48.028 -2.533 5.520 46 HB3 ASP 8 HB1 ASP 8 48.788 -0.990 5.904 47 H ASN 9 HN ASN 9 48.509 -2.297 1.503 48 HA ASN 9 HA ASN 9 49.657 -4.755 1.874 49 HB2 ASN 9 HB2 ASN 9 50.515 -4.574 -0.431 50 HB3 ASN 9 HB1 ASN 9 48.861 -3.976 -0.306 51 HD21 ASN 9 HD21 ASN 9 48.910 -2.376 -1.957 52 HD22 ASN 9 HD22 ASN 9 49.961 -1.042 -1.929 53 H TYR 10 HN TYR 10 51.953 -5.365 1.090 54 HA TYR 10 HA TYR 10 54.172 -5.467 1.655 55 HB2 TYR 10 HB2 TYR 10 54.910 -3.876 0.243 56 HB3 TYR 10 HB1 TYR 10 53.617 -2.761 0.686 57 HD1 TYR 10 HD1 TYR 10 56.873 -4.161 1.861 58 HD2 TYR 10 HD2 TYR 10 54.015 -0.971 2.184 59 HE1 TYR 10 HE1 TYR 10 58.456 -2.885 3.281 60 HE2 TYR 10 HE2 TYR 10 55.599 0.304 3.603 61 HH TYR 10 HH TYR 10 58.001 -0.886 5.202 62 H TYR 11 HN TYR 11 54.604 -6.101 3.670 63 HA TYR 11 HA TYR 11 55.326 -5.877 5.860 64 HB2 TYR 11 HB2 TYR 11 55.825 -3.404 4.965 65 HB3 TYR 11 HB1 TYR 11 54.497 -3.026 6.064 66 HD1 TYR 11 HD2 TYR 11 57.757 -4.851 5.883 67 HD2 TYR 11 HD1 TYR 11 54.866 -2.892 8.385 68 HE1 TYR 11 HE2 TYR 11 59.298 -5.045 7.817 69 HE2 TYR 11 HE1 TYR 11 56.407 -3.087 10.318 70 HH TYR 11 HH TYR 11 58.590 -4.993 10.743 71 H GLY 12 HN GLY 12 52.759 -6.745 5.129 72 HA2 GLY 12 HA2 GLY 12 51.370 -7.120 7.367 73 HA3 GLY 12 HA1 GLY 12 50.861 -5.485 6.954 74 H ALA 13 HN ALA 13 51.670 -7.770 4.470 75 HA ALA 13 HA ALA 13 48.802 -8.176 3.868 76 HB1 ALA 13 HB1 ALA 13 49.057 -7.023 1.965 77 HB2 ALA 13 HB2 ALA 13 50.241 -8.219 1.436 78 HB3 ALA 13 HB3 ALA 13 50.769 -6.778 2.305 79 H ASP 14 HN ASP 14 52.060 -9.415 3.906 80 HA ASP 14 HA ASP 14 51.245 -11.952 2.696 81 HB2 ASP 14 HB2 ASP 14 53.937 -11.057 3.755 82 HB3 ASP 14 HB1 ASP 14 53.619 -12.539 2.855 83 H ASN 15 HN ASN 15 51.988 -10.551 5.808 84 HA ASN 15 HA ASN 15 52.528 -12.801 7.342 85 HB2 ASN 15 HB2 ASN 15 52.734 -10.915 8.618 86 HB3 ASN 15 HB1 ASN 15 51.346 -10.127 7.871 87 HD21 ASN 15 HD21 ASN 15 49.786 -9.802 9.460 88 HD22 ASN 15 HD22 ASN 15 49.350 -10.941 10.641 89 H GLN 16 HN GLN 16 49.517 -11.721 5.953 90 HA GLN 16 HA GLN 16 48.018 -13.767 7.445 91 HB2 GLN 16 HB2 GLN 16 46.021 -12.661 6.640 92 HB3 GLN 16 HB1 GLN 16 47.107 -11.443 7.309 93 HG2 GLN 16 HG2 GLN 16 47.992 -11.149 4.917 94 HG3 GLN 16 HG1 GLN 16 46.581 -12.072 4.402 95 HE21 GLN 16 HE21 GLN 16 44.406 -11.161 5.348 96 HE22 GLN 16 HE22 GLN 16 44.265 -9.470 5.396 97 H SER 17 HN SER 17 49.739 -13.489 4.627 98 HA SER 17 HA SER 17 47.950 -15.192 3.041 99 HB2 SER 17 HB2 SER 17 49.252 -14.629 1.176 100 HB3 SER 17 HB1 SER 17 49.263 -13.148 2.129 101 HG SER 17 HG SER 17 51.232 -14.589 3.045 102 H GLU 18 HN GLU 18 51.082 -15.224 4.659 103 HA GLU 18 HA GLU 18 52.128 -17.616 3.693 104 HB2 GLU 18 HB2 GLU 18 52.339 -16.358 6.435 105 HB3 GLU 18 HB1 GLU 18 53.299 -17.746 5.918 106 HG2 GLU 18 HG2 GLU 18 54.240 -16.444 4.072 107 HG3 GLU 18 HG1 GLU 18 53.233 -15.064 4.505 108 H CYS 19 HN CYS 19 50.428 -17.254 6.815 109 HA CYS 19 HA CYS 19 50.096 -19.867 7.506 110 HB2 CYS 19 HB2 CYS 19 48.026 -17.673 7.756 111 HB3 CYS 19 HB1 CYS 19 48.009 -19.191 8.653 112 HG CYS 19 HG CYS 19 50.485 -18.361 9.542 113 H GLU 20 HN GLU 20 48.443 -18.138 4.956 114 HA GLU 20 HA GLU 20 46.603 -20.363 4.481 115 HB2 GLU 20 HB2 GLU 20 46.916 -17.686 3.103 116 HB3 GLU 20 HB1 GLU 20 45.682 -18.884 2.711 117 HG2 GLU 20 HG2 GLU 20 45.996 -17.950 5.549 118 HG3 GLU 20 HG1 GLU 20 45.113 -16.952 4.395 119 H TYR 21 HN TYR 21 49.544 -18.978 3.232 120 HA TYR 21 HA TYR 21 49.616 -19.956 0.640 121 HB2 TYR 21 HB2 TYR 21 51.350 -18.491 1.600 122 HB3 TYR 21 HB1 TYR 21 51.914 -19.825 2.607 123 HD1 TYR 21 HD1 TYR 21 52.803 -21.919 1.506 124 HD2 TYR 21 HD2 TYR 21 51.986 -18.317 -0.689 125 HE1 TYR 21 HE1 TYR 21 54.207 -22.741 -0.366 126 HE2 TYR 21 HE2 TYR 21 53.391 -19.140 -2.560 127 HH TYR 21 HH TYR 21 55.511 -21.741 -2.260 128 H THR 22 HN THR 22 50.021 -21.652 3.675 129 HA THR 22 HA THR 22 51.061 -24.065 2.501 130 HB THR 22 HB THR 22 50.611 -25.034 4.751 131 HG1 THR 22 HG1 THR 22 49.116 -22.740 4.887 132 HG21 THR 22 HG21 THR 22 51.869 -22.692 5.749 133 HG22 THR 22 HG22 THR 22 52.358 -22.862 4.062 134 HG23 THR 22 HG23 THR 22 52.639 -24.181 5.200 135 H ASP 23 HN ASP 23 47.940 -22.680 2.927 136 HA ASP 23 HA ASP 23 46.601 -25.266 2.524 137 HB2 ASP 23 HB2 ASP 23 45.925 -22.848 3.901 138 HB3 ASP 23 HB1 ASP 23 44.728 -23.138 2.641 139 H TRP 24 HN TRP 24 46.331 -21.950 1.217 140 HA TRP 24 HA TRP 24 44.801 -22.359 -0.987 141 HB2 TRP 24 HB2 TRP 24 45.401 -20.167 -0.937 142 HB3 TRP 24 HB1 TRP 24 47.026 -20.519 -0.349 143 HD1 TRP 24 HD1 TRP 24 45.005 -20.104 -3.533 144 HE1 TRP 24 HE1 TRP 24 46.610 -20.040 -5.549 145 HE3 TRP 24 HE3 TRP 24 49.378 -21.372 -1.220 146 HZ2 TRP 24 HZ2 TRP 24 49.383 -20.468 -6.107 147 HZ3 TRP 24 HZ3 TRP 24 51.484 -21.536 -2.516 148 HH2 TRP 24 HH2 TRP 24 51.492 -21.086 -4.955 149 H LYS 25 HN LYS 25 48.130 -23.364 -0.541 150 HA LYS 25 HA LYS 25 48.552 -24.097 -3.286 151 HB2 LYS 25 HB2 LYS 25 50.337 -23.489 -1.541 152 HB3 LYS 25 HB1 LYS 25 50.125 -25.133 -0.936 153 HG2 LYS 25 HG2 LYS 25 50.617 -26.019 -3.196 154 HG3 LYS 25 HG1 LYS 25 50.870 -24.372 -3.776 155 HD2 LYS 25 HD2 LYS 25 52.713 -24.072 -2.179 156 HD3 LYS 25 HD1 LYS 25 52.450 -25.700 -1.554 157 HE2 LYS 25 HE2 LYS 25 52.969 -26.649 -3.761 158 HE3 LYS 25 HE1 LYS 25 53.196 -25.027 -4.415 159 HZ1 LYS 25 HZ1 LYS 25 55.176 -26.497 -3.431 160 HZ2 LYS 25 HZ2 LYS 25 54.718 -25.661 -2.025 161 HZ3 LYS 25 HZ3 LYS 25 55.182 -24.801 -3.415 162 H SER 26 HN SER 26 47.585 -25.758 -0.327 163 HA SER 26 HA SER 26 47.429 -28.315 -1.758 164 HB2 SER 26 HB2 SER 26 47.125 -27.578 1.156 165 HB3 SER 26 HB1 SER 26 46.834 -29.200 0.532 166 HG SER 26 HG SER 26 49.163 -27.964 1.090 167 H SER 27 HN SER 27 45.502 -25.675 -1.310 168 HA SER 27 HA SER 27 43.065 -27.288 -1.695 169 HB2 SER 27 HB2 SER 27 43.629 -25.811 0.631 170 HB3 SER 27 HB1 SER 27 42.473 -24.843 -0.279 171 HG SER 27 HG SER 27 42.049 -27.061 1.130 172 H GLY 28 HN GLY 28 44.330 -23.949 -1.719 173 HA2 GLY 28 HA2 GLY 28 42.448 -22.889 -3.516 174 HA3 GLY 28 HA1 GLY 28 44.052 -22.228 -3.220 175 H ALA 29 HN ALA 29 44.573 -25.336 -4.095 176 HA ALA 29 HA ALA 29 45.075 -24.571 -6.897 177 HB1 ALA 29 HB1 ALA 29 47.109 -25.314 -6.115 178 HB2 ALA 29 HB2 ALA 29 46.440 -26.840 -6.692 179 HB3 ALA 29 HB3 ALA 29 46.379 -26.444 -4.975 180 H LEU 30 HN LEU 30 42.925 -26.328 -5.010 181 HA LEU 30 HA LEU 30 41.934 -27.737 -7.390 182 HB2 LEU 30 HB2 LEU 30 41.558 -29.792 -6.079 183 HB3 LEU 30 HB1 LEU 30 43.273 -29.390 -6.168 184 HG LEU 30 HG LEU 30 42.411 -28.009 -3.918 185 HD11 LEU 30 HD11 LEU 30 40.265 -29.233 -3.996 186 HD12 LEU 30 HD12 LEU 30 41.207 -29.695 -2.579 187 HD13 LEU 30 HD13 LEU 30 41.139 -30.764 -3.978 188 HD21 LEU 30 HD21 LEU 30 44.517 -29.150 -4.004 189 HD22 LEU 30 HD22 LEU 30 43.738 -30.708 -4.280 190 HD23 LEU 30 HD23 LEU 30 43.600 -29.918 -2.708 191 H ILE 31 HN ILE 31 41.314 -25.536 -5.145 192 HA ILE 31 HA ILE 31 38.760 -26.396 -4.158 193 HB ILE 31 HB ILE 31 40.350 -23.867 -4.030 194 HG12 ILE 31 HG12 ILE 31 40.320 -25.982 -2.433 195 HG13 ILE 31 HG11 ILE 31 40.446 -24.356 -1.767 196 HG21 ILE 31 HG21 ILE 31 37.376 -24.141 -3.587 197 HG22 ILE 31 HG22 ILE 31 38.245 -22.887 -4.470 198 HG23 ILE 31 HG23 ILE 31 38.328 -22.942 -2.711 199 HD11 ILE 31 HD11 ILE 31 38.694 -25.952 -0.724 200 HD12 ILE 31 HD12 ILE 31 37.756 -25.658 -2.186 201 HD13 ILE 31 HD13 ILE 31 38.174 -24.315 -1.123 202 HA PRO 32 HA PRO 32 37.359 -23.269 -7.687 203 HB2 PRO 32 HB2 PRO 32 39.122 -24.316 -9.833 204 HB3 PRO 32 HB1 PRO 32 38.642 -22.646 -9.482 205 HG2 PRO 32 HG2 PRO 32 41.102 -23.542 -8.968 206 HG3 PRO 32 HG1 PRO 32 40.298 -22.353 -7.928 207 HD2 PRO 32 HD2 PRO 32 40.739 -25.277 -7.459 208 HD3 PRO 32 HD1 PRO 32 40.748 -23.933 -6.298 209 H ALA 33 HN ALA 33 38.299 -26.592 -7.786 210 HA ALA 33 HA ALA 33 36.695 -27.523 -9.909 211 HB1 ALA 33 HB1 ALA 33 37.917 -29.320 -9.341 212 HB2 ALA 33 HB2 ALA 33 36.761 -29.581 -8.034 213 HB3 ALA 33 HB3 ALA 33 38.243 -28.673 -7.732 214 H ILE 34 HN ILE 34 36.055 -27.886 -6.413 215 HA ILE 34 HA ILE 34 33.398 -28.680 -6.624 216 HB ILE 34 HB ILE 34 34.968 -27.290 -4.475 217 HG12 ILE 34 HG12 ILE 34 34.550 -29.416 -3.310 218 HG13 ILE 34 HG11 ILE 34 33.531 -29.959 -4.643 219 HG21 ILE 34 HG21 ILE 34 32.839 -27.783 -3.058 220 HG22 ILE 34 HG22 ILE 34 31.991 -27.747 -4.604 221 HG23 ILE 34 HG23 ILE 34 32.867 -26.322 -4.044 222 HD11 ILE 34 HD11 ILE 34 35.950 -30.799 -4.661 223 HD12 ILE 34 HD12 ILE 34 36.413 -29.142 -5.051 224 HD13 ILE 34 HD13 ILE 34 35.375 -30.051 -6.151 225 H TYR 35 HN TYR 35 34.795 -25.443 -6.611 226 HA TYR 35 HA TYR 35 32.370 -24.001 -6.360 227 HB2 TYR 35 HB2 TYR 35 35.161 -23.416 -6.877 228 HB3 TYR 35 HB1 TYR 35 34.107 -22.427 -7.887 229 HD1 TYR 35 HD1 TYR 35 34.926 -23.374 -4.399 230 HD2 TYR 35 HD2 TYR 35 32.665 -20.748 -6.937 231 HE1 TYR 35 HE1 TYR 35 34.380 -21.954 -2.441 232 HE2 TYR 35 HE2 TYR 35 32.119 -19.327 -4.980 233 HH TYR 35 HH TYR 35 32.627 -20.333 -1.781 234 H MET 36 HN MET 36 34.359 -24.645 -9.259 235 HA MET 36 HA MET 36 32.568 -23.614 -11.141 236 HB2 MET 36 HB2 MET 36 34.867 -25.490 -11.197 237 HB3 MET 36 HB1 MET 36 33.768 -25.553 -12.576 238 HG2 MET 36 HG2 MET 36 35.704 -23.900 -12.777 239 HG3 MET 36 HG1 MET 36 34.095 -23.236 -13.063 240 HE1 MET 36 HE1 MET 36 33.018 -21.396 -11.771 241 HE2 MET 36 HE2 MET 36 34.435 -20.896 -12.689 242 HE3 MET 36 HE3 MET 36 34.160 -20.236 -11.078 243 H LEU 37 HN LEU 37 33.054 -27.043 -10.259 244 HA LEU 37 HA LEU 37 31.055 -28.207 -11.733 245 HB2 LEU 37 HB2 LEU 37 32.715 -29.347 -10.180 246 HB3 LEU 37 HB1 LEU 37 31.604 -28.970 -8.862 247 HG LEU 37 HG LEU 37 29.904 -30.045 -10.731 248 HD11 LEU 37 HD11 LEU 37 30.918 -31.977 -11.713 249 HD12 LEU 37 HD12 LEU 37 32.397 -31.759 -10.777 250 HD13 LEU 37 HD13 LEU 37 31.998 -30.629 -12.071 251 HD21 LEU 37 HD21 LEU 37 31.439 -31.285 -8.439 252 HD22 LEU 37 HD22 LEU 37 30.176 -32.164 -9.300 253 HD23 LEU 37 HD23 LEU 37 29.784 -30.677 -8.438 254 H VAL 38 HN VAL 38 30.749 -26.211 -8.888 255 HA VAL 38 HA VAL 38 27.872 -26.778 -8.705 256 HB VAL 38 HB VAL 38 29.804 -25.310 -6.907 257 HG11 VAL 38 HG11 VAL 38 26.791 -25.367 -6.939 258 HG12 VAL 38 HG12 VAL 38 27.868 -23.993 -6.690 259 HG13 VAL 38 HG13 VAL 38 27.667 -25.197 -5.417 260 HG21 VAL 38 HG21 VAL 38 29.516 -27.897 -6.981 261 HG22 VAL 38 HG22 VAL 38 27.954 -27.592 -6.221 262 HG23 VAL 38 HG23 VAL 38 29.439 -27.098 -5.411 263 H PHE 39 HN PHE 39 30.028 -24.571 -10.099 264 HA PHE 39 HA PHE 39 28.298 -22.255 -9.978 265 HB2 PHE 39 HB2 PHE 39 30.882 -22.295 -10.176 266 HB3 PHE 39 HB1 PHE 39 30.593 -22.589 -11.892 267 HD1 PHE 39 HD2 PHE 39 29.470 -20.911 -13.293 268 HD2 PHE 39 HD1 PHE 39 30.296 -20.170 -9.143 269 HE1 PHE 39 HE2 PHE 39 29.031 -18.494 -13.637 270 HE2 PHE 39 HE1 PHE 39 29.856 -17.754 -9.487 271 HZ PHE 39 HZ PHE 39 29.223 -16.916 -11.734 272 H LEU 40 HN LEU 40 29.328 -24.558 -12.496 273 HA LEU 40 HA LEU 40 27.489 -23.445 -14.430 274 HB2 LEU 40 HB2 LEU 40 28.221 -25.490 -15.774 275 HB3 LEU 40 HB1 LEU 40 29.483 -24.332 -15.355 276 HG LEU 40 HG LEU 40 29.139 -26.316 -13.256 277 HD11 LEU 40 HD11 LEU 40 29.908 -27.312 -16.016 278 HD12 LEU 40 HD12 LEU 40 28.433 -27.744 -15.150 279 HD13 LEU 40 HD13 LEU 40 30.004 -28.243 -14.521 280 HD21 LEU 40 HD21 LEU 40 31.539 -26.439 -13.448 281 HD22 LEU 40 HD22 LEU 40 31.088 -24.752 -13.696 282 HD23 LEU 40 HD23 LEU 40 31.497 -25.768 -15.078 283 H LEU 41 HN LEU 41 27.049 -25.336 -11.773 284 HA LEU 41 HA LEU 41 24.667 -26.643 -12.952 285 HB2 LEU 41 HB2 LEU 41 26.452 -27.719 -10.755 286 HB3 LEU 41 HB1 LEU 41 24.976 -28.483 -11.341 287 HG LEU 41 HG LEU 41 27.426 -27.897 -13.035 288 HD11 LEU 41 HD11 LEU 41 26.970 -29.966 -11.168 289 HD12 LEU 41 HD12 LEU 41 28.245 -29.888 -12.383 290 HD13 LEU 41 HD13 LEU 41 26.717 -30.684 -12.759 291 HD21 LEU 41 HD21 LEU 41 24.692 -28.989 -13.594 292 HD22 LEU 41 HD22 LEU 41 26.057 -29.678 -14.470 293 HD23 LEU 41 HD23 LEU 41 25.711 -27.954 -14.595 294 H GLY 42 HN GLY 42 25.717 -24.268 -10.955 295 HA2 GLY 42 HA2 GLY 42 23.223 -24.357 -9.383 296 HA3 GLY 42 HA1 GLY 42 24.757 -24.060 -8.569 297 H THR 43 HN THR 43 24.982 -22.757 -11.602 298 HA THR 43 HA THR 43 23.733 -20.194 -10.913 299 HB THR 43 HB THR 43 26.552 -20.117 -11.903 300 HG1 THR 43 HG1 THR 43 26.253 -19.947 -9.186 301 HG21 THR 43 HG21 THR 43 24.944 -18.370 -10.019 302 HG22 THR 43 HG22 THR 43 25.139 -18.079 -11.747 303 HG23 THR 43 HG23 THR 43 26.539 -18.000 -10.677 304 H THR 44 HN THR 44 23.460 -22.421 -12.939 305 HA THR 44 HA THR 44 23.526 -20.693 -15.333 306 HB THR 44 HB THR 44 24.501 -23.528 -15.048 307 HG1 THR 44 HG1 THR 44 25.910 -21.664 -14.940 308 HG21 THR 44 HG21 THR 44 23.284 -22.161 -17.425 309 HG22 THR 44 HG22 THR 44 23.126 -23.837 -16.901 310 HG23 THR 44 HG23 THR 44 24.619 -23.289 -17.666 311 H GLY 45 HN GLY 45 22.231 -23.688 -13.910 312 HA2 GLY 45 HA2 GLY 45 19.782 -23.347 -15.521 313 HA3 GLY 45 HA1 GLY 45 20.301 -24.847 -14.761 314 H ASN 46 HN ASN 46 20.982 -22.625 -12.510 315 HA ASN 46 HA ASN 46 18.502 -23.154 -11.051 316 HB2 ASN 46 HB2 ASN 46 19.892 -23.330 -9.309 317 HB3 ASN 46 HB1 ASN 46 21.252 -22.892 -10.341 318 HD21 ASN 46 HD21 ASN 46 21.840 -20.578 -10.459 319 HD22 ASN 46 HD22 ASN 46 21.334 -19.503 -9.248 320 H GLY 47 HN GLY 47 20.605 -20.360 -11.767 321 HA2 GLY 47 HA2 GLY 47 18.840 -18.388 -10.789 322 HA3 GLY 47 HA1 GLY 47 20.143 -18.112 -11.941 323 H LEU 48 HN LEU 48 19.480 -19.409 -14.155 324 HA LEU 48 HA LEU 48 17.665 -17.831 -15.484 325 HB2 LEU 48 HB2 LEU 48 19.270 -19.434 -16.547 326 HB3 LEU 48 HB1 LEU 48 18.192 -20.751 -16.092 327 HG LEU 48 HG LEU 48 16.360 -19.664 -17.393 328 HD11 LEU 48 HD11 LEU 48 18.502 -17.615 -17.769 329 HD12 LEU 48 HD12 LEU 48 16.760 -17.403 -17.606 330 HD13 LEU 48 HD13 LEU 48 17.442 -17.946 -19.138 331 HD21 LEU 48 HD21 LEU 48 17.744 -21.409 -18.430 332 HD22 LEU 48 HD22 LEU 48 18.924 -20.196 -18.926 333 HD23 LEU 48 HD23 LEU 48 17.304 -20.189 -19.626 334 H VAL 49 HN VAL 49 17.030 -21.051 -14.084 335 HA VAL 49 HA VAL 49 14.291 -21.150 -14.714 336 HB VAL 49 HB VAL 49 15.984 -22.488 -12.617 337 HG11 VAL 49 HG11 VAL 49 13.965 -22.442 -11.440 338 HG12 VAL 49 HG12 VAL 49 13.803 -23.932 -12.369 339 HG13 VAL 49 HG13 VAL 49 12.992 -22.463 -12.912 340 HG21 VAL 49 HG21 VAL 49 15.725 -24.398 -13.997 341 HG22 VAL 49 HG22 VAL 49 15.954 -23.073 -15.139 342 HG23 VAL 49 HG23 VAL 49 14.336 -23.707 -14.836 343 H LEU 50 HN LEU 50 15.571 -20.745 -11.414 344 HA LEU 50 HA LEU 50 13.304 -19.786 -10.200 345 HB2 LEU 50 HB2 LEU 50 16.146 -18.884 -9.670 346 HB3 LEU 50 HB1 LEU 50 14.790 -18.704 -8.557 347 HG LEU 50 HG LEU 50 15.821 -21.352 -9.627 348 HD11 LEU 50 HD11 LEU 50 17.331 -21.316 -7.961 349 HD12 LEU 50 HD12 LEU 50 16.047 -21.046 -6.783 350 HD13 LEU 50 HD13 LEU 50 16.830 -19.672 -7.563 351 HD21 LEU 50 HD21 LEU 50 13.529 -20.532 -7.878 352 HD22 LEU 50 HD22 LEU 50 14.370 -22.033 -7.497 353 HD23 LEU 50 HD23 LEU 50 13.618 -21.822 -9.077 354 H TRP 51 HN TRP 51 15.287 -18.190 -12.522 355 HA TRP 51 HA TRP 51 14.310 -15.526 -11.874 356 HB2 TRP 51 HB2 TRP 51 16.575 -15.693 -12.698 357 HB3 TRP 51 HB1 TRP 51 16.035 -16.573 -14.129 358 HD1 TRP 51 HD1 TRP 51 16.194 -13.098 -12.620 359 HE1 TRP 51 HE1 TRP 51 15.531 -11.369 -14.413 360 HE3 TRP 51 HE3 TRP 51 14.575 -16.230 -16.313 361 HZ2 TRP 51 HZ2 TRP 51 14.456 -11.319 -17.063 362 HZ3 TRP 51 HZ3 TRP 51 13.737 -15.317 -18.460 363 HH2 TRP 51 HH2 TRP 51 13.676 -12.867 -18.838 364 H THR 52 HN THR 52 13.902 -17.940 -14.447 365 HA THR 52 HA THR 52 12.109 -16.399 -16.020 366 HB THR 52 HB THR 52 12.714 -19.346 -15.845 367 HG1 THR 52 HG1 THR 52 13.022 -18.258 -18.229 368 HG21 THR 52 HG21 THR 52 10.547 -17.918 -17.357 369 HG22 THR 52 HG22 THR 52 10.478 -19.465 -16.513 370 HG23 THR 52 HG23 THR 52 11.318 -19.341 -18.059 371 H VAL 53 HN VAL 53 11.634 -18.800 -13.459 372 HA VAL 53 HA VAL 53 8.826 -18.967 -13.630 373 HB VAL 53 HB VAL 53 10.775 -19.456 -11.381 374 HG11 VAL 53 HG11 VAL 53 8.818 -18.880 -10.192 375 HG12 VAL 53 HG12 VAL 53 8.708 -20.634 -10.349 376 HG13 VAL 53 HG13 VAL 53 7.761 -19.591 -11.412 377 HG21 VAL 53 HG21 VAL 53 10.545 -21.711 -11.952 378 HG22 VAL 53 HG22 VAL 53 10.434 -20.938 -13.533 379 HG23 VAL 53 HG23 VAL 53 8.970 -21.462 -12.704 380 H PHE 54 HN PHE 54 10.891 -17.027 -11.461 381 HA PHE 54 HA PHE 54 8.950 -15.681 -10.039 382 HB2 PHE 54 HB2 PHE 54 11.749 -15.340 -10.586 383 HB3 PHE 54 HB1 PHE 54 10.947 -13.769 -10.646 384 HD1 PHE 54 HD1 PHE 54 9.561 -12.999 -8.700 385 HD2 PHE 54 HD2 PHE 54 12.005 -16.527 -8.523 386 HE1 PHE 54 HE1 PHE 54 9.423 -12.971 -6.224 387 HE2 PHE 54 HE2 PHE 54 11.867 -16.499 -6.047 388 HZ PHE 54 HZ PHE 54 10.575 -14.721 -4.898 389 H ARG 55 HN ARG 55 9.542 -15.545 -13.384 390 HA ARG 55 HA ARG 55 8.181 -12.949 -13.665 391 HB2 ARG 55 HB2 ARG 55 9.990 -14.569 -15.402 392 HB3 ARG 55 HB1 ARG 55 8.805 -13.522 -16.183 393 HG2 ARG 55 HG2 ARG 55 9.749 -11.580 -15.327 394 HG3 ARG 55 HG1 ARG 55 10.452 -12.411 -13.938 395 HD2 ARG 55 HD2 ARG 55 11.987 -11.643 -15.949 396 HD3 ARG 55 HD1 ARG 55 12.274 -13.183 -15.146 397 HE ARG 55 HE ARG 55 11.534 -14.280 -17.071 398 HH11 ARG 55 HH21 ARG 55 10.857 -10.889 -17.177 399 HH12 ARG 55 HH22 ARG 55 10.397 -10.892 -18.847 400 HH21 ARG 55 HH11 ARG 55 10.932 -14.293 -19.261 401 HH22 ARG 55 HH12 ARG 55 10.440 -12.819 -20.027 402 H LYS 56 HN LYS 56 7.706 -16.344 -13.988 403 HA LYS 56 HA LYS 56 5.339 -15.996 -15.681 404 HB2 LYS 56 HB2 LYS 56 5.539 -18.198 -16.240 405 HB3 LYS 56 HB1 LYS 56 7.204 -17.925 -15.731 406 HG2 LYS 56 HG2 LYS 56 6.456 -18.644 -13.385 407 HG3 LYS 56 HG1 LYS 56 4.958 -19.194 -14.134 408 HD2 LYS 56 HD2 LYS 56 7.597 -20.114 -15.259 409 HD3 LYS 56 HD1 LYS 56 6.931 -20.889 -13.825 410 HE2 LYS 56 HE2 LYS 56 5.186 -21.832 -14.971 411 HE3 LYS 56 HE1 LYS 56 5.051 -20.477 -16.092 412 HZ1 LYS 56 HZ1 LYS 56 6.679 -22.871 -16.265 413 HZ2 LYS 56 HZ2 LYS 56 7.448 -21.432 -16.742 414 HZ3 LYS 56 HZ3 LYS 56 6.008 -21.920 -17.500 415 H LYS 57 HN LYS 57 6.268 -16.673 -12.388 416 HA LYS 57 HA LYS 57 3.461 -17.175 -11.650 417 HB2 LYS 57 HB2 LYS 57 5.550 -18.607 -10.894 418 HB3 LYS 57 HB1 LYS 57 5.706 -17.334 -9.683 419 HG2 LYS 57 HG2 LYS 57 3.098 -17.754 -9.402 420 HG3 LYS 57 HG1 LYS 57 3.515 -19.338 -10.057 421 HD2 LYS 57 HD2 LYS 57 5.407 -19.345 -8.287 422 HD3 LYS 57 HD1 LYS 57 4.504 -18.036 -7.523 423 HE2 LYS 57 HE2 LYS 57 3.706 -20.031 -6.491 424 HE3 LYS 57 HE1 LYS 57 2.458 -19.577 -7.652 425 HZ1 LYS 57 HZ1 LYS 57 3.825 -21.973 -7.519 426 HZ2 LYS 57 HZ2 LYS 57 4.429 -21.181 -8.895 427 HZ3 LYS 57 HZ3 LYS 57 2.762 -21.465 -8.739 428 H GLY 58 HN GLY 58 5.817 -14.735 -11.705 429 HA2 GLY 58 HA2 GLY 58 4.804 -13.272 -9.404 430 HA3 GLY 58 HA1 GLY 58 6.072 -12.744 -10.506 431 H HIS 59 HN HIS 59 4.466 -13.264 -12.899 432 HA HIS 59 HA HIS 59 3.322 -10.740 -13.282 433 HB2 HIS 59 HB2 HIS 59 3.302 -11.481 -15.394 434 HB3 HIS 59 HB1 HIS 59 3.728 -13.094 -14.821 435 HD2 HIS 59 HD2 HIS 59 1.545 -14.905 -14.619 436 HE1 HIS 59 HE1 HIS 59 -1.342 -12.298 -16.262 437 HE2 HIS 59 HE2 HIS 59 -0.893 -14.689 -15.530 438 H HIS 60 HN HIS 60 2.137 -13.401 -11.549 439 HA HIS 60 HA HIS 60 -0.501 -12.108 -11.342 440 HB2 HIS 60 HB2 HIS 60 -0.869 -13.930 -12.882 441 HB3 HIS 60 HB1 HIS 60 -0.004 -15.052 -11.831 442 HD2 HIS 60 HD2 HIS 60 -1.513 -16.056 -9.673 443 HE1 HIS 60 HE1 HIS 60 -5.056 -13.921 -10.518 444 HE2 HIS 60 HE2 HIS 60 -4.035 -15.743 -9.073 445 H HIS 61 HN HIS 61 0.033 -11.311 -9.307 446 HA HIS 61 HA HIS 61 1.123 -12.967 -7.237 447 HB2 HIS 61 HB2 HIS 61 0.586 -10.204 -7.617 448 HB3 HIS 61 HB1 HIS 61 -0.272 -10.711 -6.163 449 HD2 HIS 61 HD2 HIS 61 3.459 -11.137 -7.524 450 HE1 HIS 61 HE1 HIS 61 3.520 -10.900 -3.309 451 HE2 HIS 61 HE2 HIS 61 4.964 -11.091 -5.389 452 H HIS 62 HN HIS 62 -0.245 -12.739 -5.018 453 HA HIS 62 HA HIS 62 -2.466 -14.518 -5.371 454 HB2 HIS 62 HB2 HIS 62 -0.900 -13.438 -3.143 455 HB3 HIS 62 HB1 HIS 62 -2.612 -13.637 -2.764 456 HD2 HIS 62 HD2 HIS 62 -3.432 -16.428 -3.959 457 HE1 HIS 62 HE1 HIS 62 0.195 -18.010 -2.488 458 HE2 HIS 62 HE2 HIS 62 -2.113 -18.602 -3.367 459 H HIS 63 HN HIS 63 -2.559 -11.621 -3.340 460 HA HIS 63 HA HIS 63 -5.251 -11.055 -4.380 461 HB2 HIS 63 HB2 HIS 63 -3.933 -9.746 -2.004 462 HB3 HIS 63 HB1 HIS 63 -5.654 -9.864 -2.372 463 HD2 HIS 63 HD2 HIS 63 -5.808 -13.131 -2.909 464 HE1 HIS 63 HE1 HIS 63 -4.183 -13.457 0.974 465 HE2 HIS 63 HE2 HIS 63 -5.408 -14.707 -0.865 466 H HIS 64 HN HIS 64 -3.146 -10.417 -6.102 467 HA HIS 64 HA HIS 64 -2.108 -8.672 -7.215 468 HB2 HIS 64 HB2 HIS 64 -4.511 -6.994 -6.656 469 HB3 HIS 64 HB1 HIS 64 -3.670 -7.282 -8.178 470 HD2 HIS 64 HD2 HIS 64 -4.626 -9.476 -9.658 471 HE1 HIS 64 HE1 HIS 64 -7.538 -10.728 -6.870 472 HE2 HIS 64 HE2 HIS 64 -6.636 -11.083 -9.217 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 27.424 12.842 -9.993 2 H2 MET 1 HT2 MET 1 29.089 12.558 -9.812 3 H3 MET 1 HT3 MET 1 28.520 14.131 -10.107 4 HA MET 1 HA MET 1 29.039 14.048 -7.821 5 HB2 MET 1 HB2 MET 1 26.893 15.145 -8.429 6 HB3 MET 1 HB1 MET 1 26.056 13.615 -8.166 7 HG2 MET 1 HG2 MET 1 27.711 14.188 -5.885 8 HG3 MET 1 HG1 MET 1 26.694 15.587 -6.230 9 HE1 MET 1 HE1 MET 1 24.433 15.113 -7.322 10 HE2 MET 1 HE2 MET 1 23.922 15.560 -5.697 11 HE3 MET 1 HE3 MET 1 23.189 14.168 -6.490 12 H GLU 2 HN GLU 2 29.688 11.454 -8.585 13 HA GLU 2 HA GLU 2 28.895 9.988 -6.192 14 HB2 GLU 2 HB2 GLU 2 28.658 7.971 -8.014 15 HB3 GLU 2 HB1 GLU 2 27.295 8.858 -7.331 16 HG2 GLU 2 HG2 GLU 2 27.203 10.342 -9.210 17 HG3 GLU 2 HG1 GLU 2 28.749 9.759 -9.826 18 H GLU 3 HN GLU 3 30.643 9.048 -5.359 19 HA GLU 3 HA GLU 3 32.802 8.288 -5.141 20 HB2 GLU 3 HB2 GLU 3 32.570 7.239 -7.954 21 HB3 GLU 3 HB1 GLU 3 33.419 6.533 -6.578 22 HG2 GLU 3 HG2 GLU 3 31.209 6.203 -5.448 23 HG3 GLU 3 HG1 GLU 3 30.417 6.772 -6.918 24 H GLY 4 HN GLY 4 35.037 8.337 -6.163 25 HA2 GLY 4 HA2 GLY 4 35.385 10.457 -8.158 26 HA3 GLY 4 HA1 GLY 4 36.093 10.721 -6.567 27 H GLY 5 HN GLY 5 38.238 10.517 -6.887 28 HA2 GLY 5 HA2 GLY 5 39.260 7.899 -7.670 29 HA3 GLY 5 HA1 GLY 5 39.746 9.251 -8.688 30 H ASP 6 HN ASP 6 39.900 7.909 -5.436 31 HA ASP 6 HA ASP 6 42.476 9.227 -5.039 32 HB2 ASP 6 HB2 ASP 6 40.096 9.625 -3.220 33 HB3 ASP 6 HB1 ASP 6 41.756 9.960 -2.730 34 H PHE 7 HN PHE 7 42.322 6.636 -5.541 35 HA PHE 7 HA PHE 7 42.213 5.207 -2.972 36 HB2 PHE 7 HB2 PHE 7 42.558 4.041 -5.741 37 HB3 PHE 7 HB1 PHE 7 42.139 3.180 -4.259 38 HD1 PHE 7 HD1 PHE 7 39.967 3.902 -3.042 39 HD2 PHE 7 HD2 PHE 7 40.866 4.917 -7.118 40 HE1 PHE 7 HE1 PHE 7 37.564 4.347 -3.462 41 HE2 PHE 7 HE2 PHE 7 38.463 5.362 -7.537 42 HZ PHE 7 HZ PHE 7 36.811 5.078 -5.709 43 H ASP 8 HN ASP 8 43.952 3.810 -2.353 44 HA ASP 8 HA ASP 8 46.566 4.864 -3.181 45 HB2 ASP 8 HB2 ASP 8 45.487 4.213 -0.692 46 HB3 ASP 8 HB1 ASP 8 46.616 2.904 -1.038 47 H ASN 9 HN ASN 9 44.905 2.906 -4.745 48 HA ASN 9 HA ASN 9 45.673 0.299 -4.687 49 HB2 ASN 9 HB2 ASN 9 45.076 2.200 -6.888 50 HB3 ASN 9 HB1 ASN 9 45.857 0.687 -7.340 51 HD21 ASN 9 HD21 ASN 9 43.527 1.191 -4.660 52 HD22 ASN 9 HD22 ASN 9 42.349 0.141 -5.286 53 H TYR 10 HN TYR 10 47.323 2.098 -7.202 54 HA TYR 10 HA TYR 10 49.606 0.631 -7.357 55 HB2 TYR 10 HB2 TYR 10 50.711 2.976 -7.904 56 HB3 TYR 10 HB1 TYR 10 49.515 2.264 -8.985 57 HD1 TYR 10 HD2 TYR 10 47.216 3.107 -9.065 58 HD2 TYR 10 HD1 TYR 10 50.149 4.869 -6.467 59 HE1 TYR 10 HE2 TYR 10 45.734 5.066 -8.721 60 HE2 TYR 10 HE1 TYR 10 48.667 6.828 -6.123 61 HH TYR 10 HH TYR 10 45.726 6.985 -6.445 62 H TYR 11 HN TYR 11 51.332 0.224 -6.123 63 HA TYR 11 HA TYR 11 52.941 0.448 -4.485 64 HB2 TYR 11 HB2 TYR 11 52.589 3.001 -5.173 65 HB3 TYR 11 HB1 TYR 11 51.887 3.077 -3.556 66 HD1 TYR 11 HD2 TYR 11 54.915 1.887 -5.406 67 HD2 TYR 11 HD1 TYR 11 53.276 3.212 -1.663 68 HE1 TYR 11 HE2 TYR 11 57.189 1.908 -4.418 69 HE2 TYR 11 HE1 TYR 11 55.551 3.234 -0.675 70 HH TYR 11 HH TYR 11 58.130 1.691 -1.969 71 H GLY 12 HN GLY 12 50.497 -0.862 -4.032 72 HA2 GLY 12 HA2 GLY 12 50.478 -1.540 -1.430 73 HA3 GLY 12 HA1 GLY 12 49.501 -0.076 -1.419 74 H ALA 13 HN ALA 13 49.541 -2.198 -4.176 75 HA ALA 13 HA ALA 13 46.864 -3.224 -3.447 76 HB1 ALA 13 HB1 ALA 13 46.049 -1.975 -5.131 77 HB2 ALA 13 HB2 ALA 13 46.876 -3.094 -6.215 78 HB3 ALA 13 HB3 ALA 13 47.663 -1.592 -5.730 79 H ASP 14 HN ASP 14 49.959 -3.746 -4.961 80 HA ASP 14 HA ASP 14 49.213 -6.462 -5.780 81 HB2 ASP 14 HB2 ASP 14 51.674 -4.771 -6.238 82 HB3 ASP 14 HB1 ASP 14 51.582 -6.471 -6.696 83 H ASN 15 HN ASN 15 50.967 -4.744 -3.325 84 HA ASN 15 HA ASN 15 52.721 -6.697 -2.392 85 HB2 ASN 15 HB2 ASN 15 51.652 -4.210 -1.446 86 HB3 ASN 15 HB1 ASN 15 51.632 -5.382 -0.130 87 HD21 ASN 15 HD21 ASN 15 53.593 -5.668 0.950 88 HD22 ASN 15 HD22 ASN 15 55.107 -5.205 0.341 89 H GLN 16 HN GLN 16 49.261 -6.481 -2.140 90 HA GLN 16 HA GLN 16 49.137 -8.598 -0.123 91 HB2 GLN 16 HB2 GLN 16 46.703 -8.216 -0.208 92 HB3 GLN 16 HB1 GLN 16 47.578 -6.712 0.078 93 HG2 GLN 16 HG2 GLN 16 46.557 -5.834 -1.722 94 HG3 GLN 16 HG1 GLN 16 47.425 -6.993 -2.726 95 HE21 GLN 16 HE21 GLN 16 46.267 -8.876 -3.477 96 HE22 GLN 16 HE22 GLN 16 44.592 -9.048 -3.264 97 H SER 17 HN SER 17 49.512 -8.420 -3.404 98 HA SER 17 HA SER 17 47.849 -10.761 -4.008 99 HB2 SER 17 HB2 SER 17 48.120 -8.628 -5.505 100 HB3 SER 17 HB1 SER 17 49.624 -9.395 -6.004 101 HG SER 17 HG SER 17 48.524 -10.958 -6.955 102 H GLU 18 HN GLU 18 51.243 -9.705 -4.252 103 HA GLU 18 HA GLU 18 52.348 -12.096 -5.170 104 HB2 GLU 18 HB2 GLU 18 54.436 -11.219 -4.563 105 HB3 GLU 18 HB1 GLU 18 53.451 -9.777 -4.814 106 HG2 GLU 18 HG2 GLU 18 52.904 -10.017 -2.268 107 HG3 GLU 18 HG1 GLU 18 54.357 -11.015 -2.229 108 H CYS 19 HN CYS 19 51.181 -11.216 -2.017 109 HA CYS 19 HA CYS 19 52.523 -13.352 -0.615 110 HB2 CYS 19 HB2 CYS 19 50.168 -11.645 0.227 111 HB3 CYS 19 HB1 CYS 19 51.130 -12.679 1.284 112 HG CYS 19 HG CYS 19 52.059 -9.978 0.087 113 H GLU 20 HN GLU 20 49.470 -12.895 -2.252 114 HA GLU 20 HA GLU 20 48.389 -15.406 -1.222 115 HB2 GLU 20 HB2 GLU 20 47.238 -13.448 -3.226 116 HB3 GLU 20 HB1 GLU 20 46.387 -14.816 -2.507 117 HG2 GLU 20 HG2 GLU 20 47.634 -12.615 -0.848 118 HG3 GLU 20 HG1 GLU 20 45.962 -12.557 -1.405 119 H TYR 21 HN TYR 21 49.888 -14.099 -4.096 120 HA TYR 21 HA TYR 21 49.172 -15.942 -6.033 121 HB2 TYR 21 HB2 TYR 21 50.498 -14.110 -6.725 122 HB3 TYR 21 HB1 TYR 21 51.752 -14.463 -5.537 123 HD1 TYR 21 HD1 TYR 21 50.247 -15.498 -8.747 124 HD2 TYR 21 HD2 TYR 21 53.392 -16.212 -5.909 125 HE1 TYR 21 HE1 TYR 21 51.421 -16.920 -10.405 126 HE2 TYR 21 HE2 TYR 21 54.566 -17.634 -7.568 127 HH TYR 21 HH TYR 21 53.263 -18.078 -10.856 128 H THR 22 HN THR 22 51.582 -16.238 -3.464 129 HA THR 22 HA THR 22 52.666 -18.721 -4.343 130 HB THR 22 HB THR 22 53.577 -16.986 -2.600 131 HG1 THR 22 HG1 THR 22 54.956 -18.552 -2.698 132 HG21 THR 22 HG21 THR 22 51.440 -17.438 -1.185 133 HG22 THR 22 HG22 THR 22 52.992 -17.330 -0.353 134 HG23 THR 22 HG23 THR 22 52.277 -18.908 -0.684 135 H ASP 23 HN ASP 23 49.695 -17.884 -2.935 136 HA ASP 23 HA ASP 23 49.274 -20.597 -1.864 137 HB2 ASP 23 HB2 ASP 23 48.634 -18.170 -0.781 138 HB3 ASP 23 HB1 ASP 23 47.119 -18.614 -1.568 139 H TRP 24 HN TRP 24 47.784 -18.183 -4.012 140 HA TRP 24 HA TRP 24 45.562 -19.466 -4.915 141 HB2 TRP 24 HB2 TRP 24 45.980 -17.351 -5.852 142 HB3 TRP 24 HB1 TRP 24 47.594 -17.811 -6.396 143 HD1 TRP 24 HD1 TRP 24 43.927 -18.856 -7.073 144 HE1 TRP 24 HE1 TRP 24 43.723 -19.482 -9.565 145 HE3 TRP 24 HE3 TRP 24 48.784 -18.261 -8.534 146 HZ2 TRP 24 HZ2 TRP 24 45.398 -19.703 -11.873 147 HZ3 TRP 24 HZ3 TRP 24 49.451 -18.685 -10.883 148 HH2 TRP 24 HH2 TRP 24 47.766 -19.405 -12.553 149 H LYS 25 HN LYS 25 48.844 -19.943 -6.235 150 HA LYS 25 HA LYS 25 48.305 -21.853 -8.152 151 HB2 LYS 25 HB2 LYS 25 50.690 -21.741 -6.292 152 HB3 LYS 25 HB1 LYS 25 50.614 -22.648 -7.803 153 HG2 LYS 25 HG2 LYS 25 50.123 -20.507 -9.004 154 HG3 LYS 25 HG1 LYS 25 50.374 -19.644 -7.485 155 HD2 LYS 25 HD2 LYS 25 52.587 -19.627 -7.874 156 HD3 LYS 25 HD1 LYS 25 52.593 -21.391 -7.841 157 HE2 LYS 25 HE2 LYS 25 51.950 -19.702 -10.276 158 HE3 LYS 25 HE1 LYS 25 53.492 -20.507 -9.980 159 HZ1 LYS 25 HZ1 LYS 25 51.075 -21.586 -11.005 160 HZ2 LYS 25 HZ2 LYS 25 51.563 -22.435 -9.616 161 HZ3 LYS 25 HZ3 LYS 25 52.619 -22.286 -10.939 162 H SER 26 HN SER 26 48.444 -22.211 -4.669 163 HA SER 26 HA SER 26 48.238 -25.116 -4.819 164 HB2 SER 26 HB2 SER 26 49.608 -24.042 -3.054 165 HB3 SER 26 HB1 SER 26 48.155 -23.281 -2.413 166 HG SER 26 HG SER 26 48.259 -26.064 -2.831 167 H SER 27 HN SER 27 46.279 -22.396 -3.603 168 HA SER 27 HA SER 27 43.985 -24.130 -3.193 169 HB2 SER 27 HB2 SER 27 44.538 -21.210 -2.750 170 HB3 SER 27 HB1 SER 27 42.891 -21.831 -2.691 171 HG SER 27 HG SER 27 44.217 -23.520 -1.289 172 H GLY 28 HN GLY 28 45.265 -23.339 -5.919 173 HA2 GLY 28 HA2 GLY 28 42.701 -22.666 -7.240 174 HA3 GLY 28 HA1 GLY 28 44.234 -21.984 -7.776 175 H ALA 29 HN ALA 29 43.702 -25.295 -6.679 176 HA ALA 29 HA ALA 29 43.865 -26.296 -9.427 177 HB1 ALA 29 HB1 ALA 29 45.872 -27.364 -9.229 178 HB2 ALA 29 HB2 ALA 29 45.679 -27.634 -7.497 179 HB3 ALA 29 HB3 ALA 29 46.190 -26.054 -8.093 180 H LEU 30 HN LEU 30 42.568 -26.405 -6.371 181 HA LEU 30 HA LEU 30 41.402 -29.057 -6.900 182 HB2 LEU 30 HB2 LEU 30 41.522 -29.507 -4.417 183 HB3 LEU 30 HB1 LEU 30 43.074 -29.532 -5.254 184 HG LEU 30 HG LEU 30 42.473 -26.840 -4.400 185 HD11 LEU 30 HD11 LEU 30 42.516 -27.189 -1.976 186 HD12 LEU 30 HD12 LEU 30 42.541 -28.937 -2.208 187 HD13 LEU 30 HD13 LEU 30 41.114 -28.008 -2.667 188 HD21 LEU 30 HD21 LEU 30 44.712 -27.707 -4.932 189 HD22 LEU 30 HD22 LEU 30 44.597 -28.857 -3.601 190 HD23 LEU 30 HD23 LEU 30 44.666 -27.127 -3.268 191 H ILE 31 HN ILE 31 41.189 -25.917 -5.333 192 HA ILE 31 HA ILE 31 38.522 -26.306 -4.351 193 HB ILE 31 HB ILE 31 39.681 -23.589 -4.833 194 HG12 ILE 31 HG12 ILE 31 40.705 -25.723 -2.973 195 HG13 ILE 31 HG11 ILE 31 41.618 -24.564 -3.939 196 HG21 ILE 31 HG21 ILE 31 38.361 -24.679 -2.356 197 HG22 ILE 31 HG22 ILE 31 37.393 -24.198 -3.749 198 HG23 ILE 31 HG23 ILE 31 38.417 -23.014 -2.936 199 HD11 ILE 31 HD11 ILE 31 41.806 -23.692 -1.765 200 HD12 ILE 31 HD12 ILE 31 40.142 -24.111 -1.354 201 HD13 ILE 31 HD13 ILE 31 40.469 -22.766 -2.446 202 HA PRO 32 HA PRO 32 37.586 -23.608 -8.332 203 HB2 PRO 32 HB2 PRO 32 39.372 -24.962 -10.259 204 HB3 PRO 32 HB1 PRO 32 39.046 -23.234 -10.050 205 HG2 PRO 32 HG2 PRO 32 41.374 -24.360 -9.333 206 HG3 PRO 32 HG1 PRO 32 40.671 -22.980 -8.470 207 HD2 PRO 32 HD2 PRO 32 40.751 -25.862 -7.675 208 HD3 PRO 32 HD1 PRO 32 40.850 -24.408 -6.659 209 H ALA 33 HN ALA 33 38.530 -26.994 -8.361 210 HA ALA 33 HA ALA 33 36.916 -28.003 -10.379 211 HB1 ALA 33 HB1 ALA 33 36.878 -30.115 -8.969 212 HB2 ALA 33 HB2 ALA 33 37.754 -29.204 -7.738 213 HB3 ALA 33 HB3 ALA 33 38.479 -29.465 -9.324 214 H ILE 34 HN ILE 34 36.033 -28.414 -6.954 215 HA ILE 34 HA ILE 34 33.343 -28.928 -7.369 216 HB ILE 34 HB ILE 34 34.882 -27.813 -5.051 217 HG12 ILE 34 HG12 ILE 34 33.105 -30.254 -5.317 218 HG13 ILE 34 HG11 ILE 34 34.826 -30.268 -5.706 219 HG21 ILE 34 HG21 ILE 34 32.870 -26.620 -4.720 220 HG22 ILE 34 HG22 ILE 34 32.622 -28.099 -3.795 221 HG23 ILE 34 HG23 ILE 34 31.884 -27.922 -5.385 222 HD11 ILE 34 HD11 ILE 34 35.430 -29.712 -3.454 223 HD12 ILE 34 HD12 ILE 34 34.245 -31.015 -3.347 224 HD13 ILE 34 HD13 ILE 34 33.757 -29.349 -3.031 225 H TYR 35 HN TYR 35 34.860 -25.792 -6.611 226 HA TYR 35 HA TYR 35 32.725 -24.115 -6.516 227 HB2 TYR 35 HB2 TYR 35 35.517 -23.866 -7.266 228 HB3 TYR 35 HB1 TYR 35 34.505 -22.751 -8.185 229 HD1 TYR 35 HD1 TYR 35 35.275 -23.916 -4.725 230 HD2 TYR 35 HD2 TYR 35 33.582 -20.819 -7.173 231 HE1 TYR 35 HE1 TYR 35 35.066 -22.455 -2.732 232 HE2 TYR 35 HE2 TYR 35 33.373 -19.357 -5.180 233 HH TYR 35 HH TYR 35 34.504 -20.448 -1.977 234 H MET 36 HN MET 36 34.395 -25.019 -9.538 235 HA MET 36 HA MET 36 32.578 -23.804 -11.297 236 HB2 MET 36 HB2 MET 36 34.716 -25.838 -11.491 237 HB3 MET 36 HB1 MET 36 33.501 -25.887 -12.768 238 HG2 MET 36 HG2 MET 36 35.499 -24.374 -13.219 239 HG3 MET 36 HG1 MET 36 33.918 -23.609 -13.378 240 HE1 MET 36 HE1 MET 36 34.212 -20.605 -11.426 241 HE2 MET 36 HE2 MET 36 33.115 -21.724 -12.231 242 HE3 MET 36 HE3 MET 36 34.564 -21.169 -13.065 243 H LEU 37 HN LEU 37 32.785 -27.207 -10.252 244 HA LEU 37 HA LEU 37 30.617 -28.243 -11.609 245 HB2 LEU 37 HB2 LEU 37 32.330 -29.329 -9.913 246 HB3 LEU 37 HB1 LEU 37 31.026 -29.049 -8.759 247 HG LEU 37 HG LEU 37 29.550 -30.123 -10.691 248 HD11 LEU 37 HD11 LEU 37 30.672 -31.651 -12.083 249 HD12 LEU 37 HD12 LEU 37 32.122 -31.642 -11.079 250 HD13 LEU 37 HD13 LEU 37 31.743 -30.250 -12.093 251 HD21 LEU 37 HD21 LEU 37 30.058 -32.388 -9.625 252 HD22 LEU 37 HD22 LEU 37 29.634 -31.096 -8.502 253 HD23 LEU 37 HD23 LEU 37 31.321 -31.569 -8.705 254 H VAL 38 HN VAL 38 30.652 -26.557 -8.485 255 HA VAL 38 HA VAL 38 27.786 -26.735 -8.178 256 HB VAL 38 HB VAL 38 29.898 -25.169 -6.681 257 HG11 VAL 38 HG11 VAL 38 27.854 -25.192 -4.979 258 HG12 VAL 38 HG12 VAL 38 26.914 -25.270 -6.470 259 HG13 VAL 38 HG13 VAL 38 28.012 -23.918 -6.189 260 HG21 VAL 38 HG21 VAL 38 28.256 -27.533 -5.754 261 HG22 VAL 38 HG22 VAL 38 29.733 -26.885 -5.040 262 HG23 VAL 38 HG23 VAL 38 29.799 -27.742 -6.581 263 H PHE 39 HN PHE 39 29.909 -24.698 -9.894 264 HA PHE 39 HA PHE 39 28.265 -22.320 -9.764 265 HB2 PHE 39 HB2 PHE 39 30.768 -22.313 -10.134 266 HB3 PHE 39 HB1 PHE 39 30.453 -22.932 -11.754 267 HD1 PHE 39 HD1 PHE 39 29.201 -21.575 -13.403 268 HD2 PHE 39 HD2 PHE 39 30.247 -20.031 -9.534 269 HE1 PHE 39 HE1 PHE 39 28.715 -19.274 -14.190 270 HE2 PHE 39 HE2 PHE 39 29.761 -17.730 -10.321 271 HZ PHE 39 HZ PHE 39 28.995 -17.351 -12.649 272 H LEU 40 HN LEU 40 29.191 -24.499 -12.445 273 HA LEU 40 HA LEU 40 27.175 -23.509 -14.191 274 HB2 LEU 40 HB2 LEU 40 27.707 -25.632 -15.503 275 HB3 LEU 40 HB1 LEU 40 29.046 -24.521 -15.232 276 HG LEU 40 HG LEU 40 28.860 -26.364 -13.016 277 HD11 LEU 40 HD11 LEU 40 27.764 -27.846 -14.667 278 HD12 LEU 40 HD12 LEU 40 29.364 -28.444 -14.226 279 HD13 LEU 40 HD13 LEU 40 29.125 -27.616 -15.765 280 HD21 LEU 40 HD21 LEU 40 30.947 -26.133 -15.205 281 HD22 LEU 40 HD22 LEU 40 31.188 -26.739 -13.567 282 HD23 LEU 40 HD23 LEU 40 30.847 -25.030 -13.832 283 H LEU 41 HN LEU 41 26.836 -25.253 -11.429 284 HA LEU 41 HA LEU 41 24.350 -26.544 -12.394 285 HB2 LEU 41 HB2 LEU 41 26.147 -27.490 -10.149 286 HB3 LEU 41 HB1 LEU 41 24.665 -28.273 -10.696 287 HG LEU 41 HG LEU 41 27.134 -27.828 -12.405 288 HD11 LEU 41 HD11 LEU 41 27.237 -29.545 -10.481 289 HD12 LEU 41 HD12 LEU 41 27.642 -30.122 -12.099 290 HD13 LEU 41 HD13 LEU 41 26.055 -30.467 -11.410 291 HD21 LEU 41 HD21 LEU 41 25.405 -27.945 -13.955 292 HD22 LEU 41 HD22 LEU 41 24.391 -28.939 -12.909 293 HD23 LEU 41 HD23 LEU 41 25.763 -29.659 -13.752 294 H GLY 42 HN GLY 42 25.706 -24.180 -10.447 295 HA2 GLY 42 HA2 GLY 42 23.193 -23.936 -8.913 296 HA3 GLY 42 HA1 GLY 42 24.747 -23.783 -8.098 297 H THR 43 HN THR 43 24.997 -22.607 -11.217 298 HA THR 43 HA THR 43 24.068 -19.907 -10.590 299 HB THR 43 HB THR 43 26.874 -20.103 -11.579 300 HG1 THR 43 HG1 THR 43 25.968 -20.691 -8.982 301 HG21 THR 43 HG21 THR 43 27.055 -17.961 -10.635 302 HG22 THR 43 HG22 THR 43 25.727 -18.244 -9.509 303 HG23 THR 43 HG23 THR 43 25.392 -17.993 -11.222 304 H THR 44 HN THR 44 23.652 -22.193 -12.566 305 HA THR 44 HA THR 44 23.843 -20.528 -14.998 306 HB THR 44 HB THR 44 24.632 -23.413 -14.643 307 HG1 THR 44 HG1 THR 44 26.365 -22.534 -16.003 308 HG21 THR 44 HG21 THR 44 24.795 -23.235 -17.263 309 HG22 THR 44 HG22 THR 44 23.538 -22.015 -17.061 310 HG23 THR 44 HG23 THR 44 23.261 -23.668 -16.508 311 H GLY 45 HN GLY 45 22.350 -23.396 -13.512 312 HA2 GLY 45 HA2 GLY 45 19.941 -22.945 -15.155 313 HA3 GLY 45 HA1 GLY 45 20.357 -24.455 -14.348 314 H ASN 46 HN ASN 46 21.155 -22.165 -12.181 315 HA ASN 46 HA ASN 46 18.658 -22.528 -10.699 316 HB2 ASN 46 HB2 ASN 46 20.009 -22.607 -8.917 317 HB3 ASN 46 HB1 ASN 46 21.392 -22.408 -9.990 318 HD21 ASN 46 HD21 ASN 46 22.121 -20.139 -10.412 319 HD22 ASN 46 HD22 ASN 46 21.771 -18.927 -9.276 320 H GLY 47 HN GLY 47 20.841 -19.868 -11.637 321 HA2 GLY 47 HA2 GLY 47 19.165 -17.776 -10.725 322 HA3 GLY 47 HA1 GLY 47 20.469 -17.611 -11.897 323 H LEU 48 HN LEU 48 19.625 -19.207 -13.955 324 HA LEU 48 HA LEU 48 17.878 -17.568 -15.384 325 HB2 LEU 48 HB2 LEU 48 19.441 -19.252 -16.380 326 HB3 LEU 48 HB1 LEU 48 18.350 -20.524 -15.839 327 HG LEU 48 HG LEU 48 16.517 -19.484 -17.175 328 HD11 LEU 48 HD11 LEU 48 16.950 -17.243 -17.513 329 HD12 LEU 48 HD12 LEU 48 17.597 -17.881 -19.024 330 HD13 LEU 48 HD13 LEU 48 18.686 -17.494 -17.694 331 HD21 LEU 48 HD21 LEU 48 19.014 -20.622 -18.275 332 HD22 LEU 48 HD22 LEU 48 17.981 -19.816 -19.456 333 HD23 LEU 48 HD23 LEU 48 17.344 -21.149 -18.492 334 H VAL 49 HN VAL 49 17.220 -20.632 -13.696 335 HA VAL 49 HA VAL 49 14.484 -20.798 -14.328 336 HB VAL 49 HB VAL 49 16.170 -21.912 -12.099 337 HG11 VAL 49 HG11 VAL 49 13.178 -21.940 -12.415 338 HG12 VAL 49 HG12 VAL 49 14.135 -21.726 -10.950 339 HG13 VAL 49 HG13 VAL 49 14.001 -23.321 -11.691 340 HG21 VAL 49 HG21 VAL 49 14.602 -23.168 -14.376 341 HG22 VAL 49 HG22 VAL 49 15.653 -24.025 -13.247 342 HG23 VAL 49 HG23 VAL 49 16.341 -22.867 -14.387 343 H LEU 50 HN LEU 50 15.768 -20.032 -11.092 344 HA LEU 50 HA LEU 50 13.545 -19.013 -9.911 345 HB2 LEU 50 HB2 LEU 50 16.416 -18.119 -9.697 346 HB3 LEU 50 HB1 LEU 50 15.146 -17.422 -8.691 347 HG LEU 50 HG LEU 50 15.319 -20.402 -8.871 348 HD11 LEU 50 HD11 LEU 50 17.614 -19.979 -8.442 349 HD12 LEU 50 HD12 LEU 50 16.908 -20.235 -6.846 350 HD13 LEU 50 HD13 LEU 50 17.251 -18.599 -7.407 351 HD21 LEU 50 HD21 LEU 50 14.203 -20.315 -6.833 352 HD22 LEU 50 HD22 LEU 50 13.628 -18.821 -7.573 353 HD23 LEU 50 HD23 LEU 50 14.930 -18.772 -6.384 354 H TRP 51 HN TRP 51 15.496 -17.470 -12.374 355 HA TRP 51 HA TRP 51 14.285 -14.875 -12.091 356 HB2 TRP 51 HB2 TRP 51 16.511 -15.011 -13.015 357 HB3 TRP 51 HB1 TRP 51 15.966 -16.107 -14.284 358 HD1 TRP 51 HD1 TRP 51 15.901 -12.453 -13.234 359 HE1 TRP 51 HE1 TRP 51 15.067 -11.026 -15.213 360 HE3 TRP 51 HE3 TRP 51 14.475 -16.153 -16.451 361 HZ2 TRP 51 HZ2 TRP 51 13.944 -11.404 -17.816 362 HZ3 TRP 51 HZ3 TRP 51 13.528 -15.592 -18.671 363 HH2 TRP 51 HH2 TRP 51 13.261 -13.223 -19.356 364 H THR 52 HN THR 52 14.019 -17.499 -14.494 365 HA THR 52 HA THR 52 11.975 -16.288 -16.026 366 HB THR 52 HB THR 52 12.986 -19.097 -15.711 367 HG1 THR 52 HG1 THR 52 13.985 -18.552 -17.465 368 HG21 THR 52 HG21 THR 52 10.458 -18.182 -17.066 369 HG22 THR 52 HG22 THR 52 10.714 -19.596 -16.043 370 HG23 THR 52 HG23 THR 52 11.358 -19.567 -17.684 371 H VAL 53 HN VAL 53 11.872 -18.602 -13.334 372 HA VAL 53 HA VAL 53 9.112 -19.074 -13.311 373 HB VAL 53 HB VAL 53 11.199 -19.114 -11.137 374 HG11 VAL 53 HG11 VAL 53 9.317 -20.426 -9.904 375 HG12 VAL 53 HG12 VAL 53 8.223 -19.561 -10.983 376 HG13 VAL 53 HG13 VAL 53 9.263 -18.663 -9.877 377 HG21 VAL 53 HG21 VAL 53 11.090 -21.473 -11.412 378 HG22 VAL 53 HG22 VAL 53 11.070 -20.832 -13.055 379 HG23 VAL 53 HG23 VAL 53 9.570 -21.378 -12.303 380 H PHE 54 HN PHE 54 11.023 -16.610 -11.602 381 HA PHE 54 HA PHE 54 8.926 -15.411 -10.182 382 HB2 PHE 54 HB2 PHE 54 11.666 -14.676 -10.984 383 HB3 PHE 54 HB1 PHE 54 10.588 -13.309 -10.699 384 HD1 PHE 54 HD1 PHE 54 10.698 -16.695 -9.107 385 HD2 PHE 54 HD2 PHE 54 11.124 -12.454 -8.579 386 HE1 PHE 54 HE1 PHE 54 10.922 -17.023 -6.659 387 HE2 PHE 54 HE2 PHE 54 11.350 -12.782 -6.131 388 HZ PHE 54 HZ PHE 54 11.248 -15.066 -5.171 389 H ARG 55 HN ARG 55 9.524 -15.490 -13.526 390 HA ARG 55 HA ARG 55 7.789 -13.139 -13.988 391 HB2 ARG 55 HB2 ARG 55 10.050 -14.352 -15.512 392 HB3 ARG 55 HB1 ARG 55 8.754 -13.580 -16.425 393 HG2 ARG 55 HG2 ARG 55 9.226 -11.477 -15.586 394 HG3 ARG 55 HG1 ARG 55 9.865 -12.109 -14.068 395 HD2 ARG 55 HD2 ARG 55 11.337 -12.729 -16.598 396 HD3 ARG 55 HD1 ARG 55 11.489 -11.114 -15.912 397 HE ARG 55 HE ARG 55 12.698 -13.489 -14.897 398 HH11 ARG 55 HH21 ARG 55 11.155 -10.530 -13.982 399 HH12 ARG 55 HH22 ARG 55 11.971 -10.415 -12.458 400 HH21 ARG 55 HH11 ARG 55 13.768 -13.347 -12.898 401 HH22 ARG 55 HH12 ARG 55 13.450 -12.010 -11.845 402 H LYS 56 HN LYS 56 7.481 -16.329 -13.623 403 HA LYS 56 HA LYS 56 5.435 -16.560 -15.749 404 HB2 LYS 56 HB2 LYS 56 6.125 -18.655 -16.275 405 HB3 LYS 56 HB1 LYS 56 7.644 -18.124 -15.559 406 HG2 LYS 56 HG2 LYS 56 6.770 -19.008 -13.330 407 HG3 LYS 56 HG1 LYS 56 5.442 -19.741 -14.232 408 HD2 LYS 56 HD2 LYS 56 8.258 -20.272 -15.131 409 HD3 LYS 56 HD1 LYS 56 7.623 -21.134 -13.732 410 HE2 LYS 56 HE2 LYS 56 6.160 -20.995 -16.378 411 HE3 LYS 56 HE1 LYS 56 7.274 -22.297 -15.962 412 HZ1 LYS 56 HZ1 LYS 56 5.219 -21.634 -14.005 413 HZ2 LYS 56 HZ2 LYS 56 5.868 -23.145 -14.431 414 HZ3 LYS 56 HZ3 LYS 56 4.701 -22.408 -15.422 415 H LYS 57 HN LYS 57 6.239 -16.900 -12.388 416 HA LYS 57 HA LYS 57 3.556 -17.961 -11.793 417 HB2 LYS 57 HB2 LYS 57 5.700 -18.993 -10.819 418 HB3 LYS 57 HB1 LYS 57 5.780 -17.554 -9.801 419 HG2 LYS 57 HG2 LYS 57 3.180 -18.231 -9.446 420 HG3 LYS 57 HG1 LYS 57 3.876 -19.829 -9.714 421 HD2 LYS 57 HD2 LYS 57 5.577 -19.355 -7.962 422 HD3 LYS 57 HD1 LYS 57 4.803 -17.799 -7.660 423 HE2 LYS 57 HE2 LYS 57 3.873 -19.242 -6.026 424 HE3 LYS 57 HE1 LYS 57 2.640 -19.154 -7.284 425 HZ1 LYS 57 HZ1 LYS 57 2.753 -21.363 -7.294 426 HZ2 LYS 57 HZ2 LYS 57 4.204 -21.393 -6.410 427 HZ3 LYS 57 HZ3 LYS 57 4.236 -21.190 -8.097 428 H GLY 58 HN GLY 58 5.644 -15.185 -11.347 429 HA2 GLY 58 HA2 GLY 58 3.848 -13.863 -9.495 430 HA3 GLY 58 HA1 GLY 58 5.312 -13.186 -10.198 431 H HIS 59 HN HIS 59 4.499 -13.866 -12.940 432 HA HIS 59 HA HIS 59 3.239 -11.464 -13.662 433 HB2 HIS 59 HB2 HIS 59 3.935 -12.142 -15.679 434 HB3 HIS 59 HB1 HIS 59 4.358 -13.711 -14.995 435 HD2 HIS 59 HD2 HIS 59 2.448 -15.766 -15.447 436 HE1 HIS 59 HE1 HIS 59 -0.122 -13.456 -17.872 437 HE2 HIS 59 HE2 HIS 59 0.376 -15.802 -17.036 438 H HIS 60 HN HIS 60 1.935 -14.352 -12.406 439 HA HIS 60 HA HIS 60 -0.649 -14.252 -13.616 440 HB2 HIS 60 HB2 HIS 60 -1.248 -15.964 -12.114 441 HB3 HIS 60 HB1 HIS 60 0.473 -16.226 -12.394 442 HD2 HIS 60 HD2 HIS 60 -1.180 -16.884 -9.430 443 HE1 HIS 60 HE1 HIS 60 1.482 -13.933 -8.004 444 HE2 HIS 60 HE2 HIS 60 -0.077 -15.817 -7.317 445 H HIS 61 HN HIS 61 0.878 -12.461 -11.119 446 HA HIS 61 HA HIS 61 -1.688 -11.557 -10.008 447 HB2 HIS 61 HB2 HIS 61 1.068 -11.727 -9.031 448 HB3 HIS 61 HB1 HIS 61 0.297 -10.182 -8.674 449 HD2 HIS 61 HD2 HIS 61 -1.609 -13.663 -8.627 450 HE1 HIS 61 HE1 HIS 61 -1.743 -11.978 -4.759 451 HE2 HIS 61 HE2 HIS 61 -2.556 -13.900 -6.205 452 H HIS 62 HN HIS 62 -0.010 -10.825 -12.635 453 HA HIS 62 HA HIS 62 0.033 -8.993 -14.024 454 HB2 HIS 62 HB2 HIS 62 -2.259 -8.648 -12.505 455 HB3 HIS 62 HB1 HIS 62 -1.397 -7.124 -12.295 456 HD2 HIS 62 HD2 HIS 62 -1.843 -5.393 -14.393 457 HE1 HIS 62 HE1 HIS 62 -2.893 -8.245 -17.325 458 HE2 HIS 62 HE2 HIS 62 -2.630 -5.763 -16.856 459 H HIS 63 HN HIS 63 -0.043 -7.550 -10.757 460 HA HIS 63 HA HIS 63 2.379 -6.030 -11.438 461 HB2 HIS 63 HB2 HIS 63 0.312 -5.743 -9.255 462 HB3 HIS 63 HB1 HIS 63 1.812 -4.815 -9.277 463 HD2 HIS 63 HD2 HIS 63 2.086 -3.250 -11.818 464 HE1 HIS 63 HE1 HIS 63 -2.100 -3.025 -12.319 465 HE2 HIS 63 HE2 HIS 63 0.127 -2.073 -13.081 466 H HIS 64 HN HIS 64 2.786 -8.758 -11.017 467 HA HIS 64 HA HIS 64 3.920 -10.288 -9.711 468 HB2 HIS 64 HB2 HIS 64 5.465 -8.026 -10.145 469 HB3 HIS 64 HB1 HIS 64 5.615 -8.302 -8.409 470 HD2 HIS 64 HD2 HIS 64 7.318 -9.528 -11.520 471 HE1 HIS 64 HE1 HIS 64 7.673 -12.727 -8.788 472 HE2 HIS 64 HE2 HIS 64 8.503 -11.796 -10.999 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 25.629 -25.603 -21.538 2 H2 MET 1 HT2 MET 1 26.927 -24.511 -21.622 3 H3 MET 1 HT3 MET 1 25.370 -23.957 -21.224 4 HA MET 1 HA MET 1 25.610 -25.671 -19.279 5 HB2 MET 1 HB2 MET 1 28.442 -24.934 -20.067 6 HB3 MET 1 HB1 MET 1 28.006 -25.582 -18.485 7 HG2 MET 1 HG2 MET 1 27.342 -26.972 -21.092 8 HG3 MET 1 HG1 MET 1 28.791 -27.319 -20.149 9 HE1 MET 1 HE1 MET 1 25.264 -29.673 -19.924 10 HE2 MET 1 HE2 MET 1 26.426 -29.147 -21.139 11 HE3 MET 1 HE3 MET 1 25.086 -28.091 -20.696 12 H GLU 2 HN GLU 2 26.738 -22.635 -20.575 13 HA GLU 2 HA GLU 2 26.471 -21.342 -17.944 14 HB2 GLU 2 HB2 GLU 2 28.504 -21.007 -19.521 15 HB3 GLU 2 HB1 GLU 2 27.416 -19.973 -20.447 16 HG2 GLU 2 HG2 GLU 2 28.279 -18.402 -18.992 17 HG3 GLU 2 HG1 GLU 2 26.905 -18.961 -18.038 18 H GLU 3 HN GLU 3 24.797 -20.047 -17.480 19 HA GLU 3 HA GLU 3 23.369 -18.463 -19.312 20 HB2 GLU 3 HB2 GLU 3 22.610 -21.220 -19.350 21 HB3 GLU 3 HB1 GLU 3 21.293 -20.285 -18.642 22 HG2 GLU 3 HG2 GLU 3 21.282 -18.773 -20.555 23 HG3 GLU 3 HG1 GLU 3 22.679 -19.596 -21.249 24 H GLY 4 HN GLY 4 21.591 -17.338 -18.324 25 HA2 GLY 4 HA2 GLY 4 20.299 -16.565 -16.545 26 HA3 GLY 4 HA1 GLY 4 20.960 -17.850 -15.540 27 H GLY 5 HN GLY 5 20.959 -14.561 -16.087 28 HA2 GLY 5 HA2 GLY 5 23.347 -14.221 -14.392 29 HA3 GLY 5 HA1 GLY 5 23.180 -13.263 -15.860 30 H ASP 6 HN ASP 6 22.092 -13.728 -12.597 31 HA ASP 6 HA ASP 6 21.075 -11.029 -12.490 32 HB2 ASP 6 HB2 ASP 6 18.817 -11.733 -11.663 33 HB3 ASP 6 HB1 ASP 6 19.088 -12.073 -13.371 34 H PHE 7 HN PHE 7 23.159 -11.777 -11.124 35 HA PHE 7 HA PHE 7 22.264 -12.642 -8.450 36 HB2 PHE 7 HB2 PHE 7 25.011 -12.462 -8.347 37 HB3 PHE 7 HB1 PHE 7 24.097 -13.937 -8.658 38 HD1 PHE 7 HD2 PHE 7 25.128 -10.871 -10.572 39 HD2 PHE 7 HD1 PHE 7 24.771 -15.153 -10.530 40 HE1 PHE 7 HE2 PHE 7 26.086 -10.974 -12.857 41 HE2 PHE 7 HE1 PHE 7 25.728 -15.255 -12.814 42 HZ PHE 7 HZ PHE 7 26.385 -13.166 -13.978 43 H ASP 8 HN ASP 8 22.972 -11.475 -6.588 44 HA ASP 8 HA ASP 8 23.072 -8.596 -7.054 45 HB2 ASP 8 HB2 ASP 8 23.044 -10.007 -4.386 46 HB3 ASP 8 HB1 ASP 8 22.540 -8.357 -4.750 47 H ASN 9 HN ASN 9 25.151 -11.202 -6.081 48 HA ASN 9 HA ASN 9 27.320 -11.245 -5.268 49 HB2 ASN 9 HB2 ASN 9 27.690 -10.797 -7.623 50 HB3 ASN 9 HB1 ASN 9 27.447 -9.070 -7.366 51 HD21 ASN 9 HD21 ASN 9 29.418 -7.994 -7.340 52 HD22 ASN 9 HD22 ASN 9 30.855 -8.607 -6.677 53 H TYR 10 HN TYR 10 27.916 -7.942 -6.019 54 HA TYR 10 HA TYR 10 29.030 -7.166 -3.666 55 HB2 TYR 10 HB2 TYR 10 29.084 -5.672 -5.537 56 HB3 TYR 10 HB1 TYR 10 27.326 -5.532 -5.553 57 HD1 TYR 10 HD1 TYR 10 30.273 -4.981 -3.303 58 HD2 TYR 10 HD2 TYR 10 26.299 -3.771 -4.398 59 HE1 TYR 10 HE1 TYR 10 30.410 -3.087 -1.708 60 HE2 TYR 10 HE2 TYR 10 26.436 -1.877 -2.803 61 HH TYR 10 HH TYR 10 29.262 -1.458 -0.689 62 H TYR 11 HN TYR 11 28.396 -6.722 -1.642 63 HA TYR 11 HA TYR 11 27.044 -6.308 0.172 64 HB2 TYR 11 HB2 TYR 11 25.849 -4.860 -1.813 65 HB3 TYR 11 HB1 TYR 11 24.542 -5.948 -1.346 66 HD1 TYR 11 HD1 TYR 11 23.850 -6.079 1.084 67 HD2 TYR 11 HD2 TYR 11 26.542 -3.077 -0.396 68 HE1 TYR 11 HE1 TYR 11 23.448 -4.717 3.116 69 HE2 TYR 11 HE2 TYR 11 26.137 -1.714 1.636 70 HH TYR 11 HH TYR 11 24.597 -1.443 3.391 71 H GLY 12 HN GLY 12 27.474 -8.916 -0.836 72 HA2 GLY 12 HA2 GLY 12 25.929 -10.524 0.700 73 HA3 GLY 12 HA1 GLY 12 24.971 -10.370 -0.769 74 H ALA 13 HN ALA 13 28.455 -10.265 -0.836 75 HA ALA 13 HA ALA 13 28.530 -13.006 -1.946 76 HB1 ALA 13 HB1 ALA 13 29.051 -12.107 -3.936 77 HB2 ALA 13 HB2 ALA 13 30.575 -11.593 -3.212 78 HB3 ALA 13 HB3 ALA 13 29.197 -10.493 -3.242 79 H ASP 14 HN ASP 14 30.047 -10.494 -0.069 80 HA ASP 14 HA ASP 14 32.418 -12.150 0.422 81 HB2 ASP 14 HB2 ASP 14 31.694 -9.288 0.888 82 HB3 ASP 14 HB1 ASP 14 32.918 -10.025 1.919 83 H ASN 15 HN ASN 15 29.479 -11.044 1.943 84 HA ASN 15 HA ASN 15 30.021 -11.451 4.633 85 HB2 ASN 15 HB2 ASN 15 27.537 -11.765 2.974 86 HB3 ASN 15 HB1 ASN 15 27.520 -12.181 4.687 87 HD21 ASN 15 HD21 ASN 15 26.015 -10.296 4.978 88 HD22 ASN 15 HD22 ASN 15 26.659 -8.727 5.048 89 H GLN 16 HN GLN 16 29.328 -13.795 2.103 90 HA GLN 16 HA GLN 16 29.395 -15.998 4.040 91 HB2 GLN 16 HB2 GLN 16 28.752 -17.405 2.120 92 HB3 GLN 16 HB1 GLN 16 27.640 -16.051 2.326 93 HG2 GLN 16 HG2 GLN 16 28.997 -14.784 0.619 94 HG3 GLN 16 HG1 GLN 16 29.901 -16.267 0.322 95 HE21 GLN 16 HE21 GLN 16 27.005 -14.556 -0.465 96 HE22 GLN 16 HE22 GLN 16 26.262 -15.795 -1.357 97 H SER 17 HN SER 17 31.674 -14.204 2.753 98 HA SER 17 HA SER 17 33.420 -16.421 1.897 99 HB2 SER 17 HB2 SER 17 33.150 -14.401 0.407 100 HB3 SER 17 HB1 SER 17 33.945 -13.453 1.661 101 HG SER 17 HG SER 17 34.981 -15.246 -0.138 102 H GLU 18 HN GLU 18 33.386 -13.543 3.999 103 HA GLU 18 HA GLU 18 35.809 -13.657 5.222 104 HB2 GLU 18 HB2 GLU 18 33.171 -13.276 6.659 105 HB3 GLU 18 HB1 GLU 18 34.752 -12.746 7.234 106 HG2 GLU 18 HG2 GLU 18 34.986 -11.321 5.217 107 HG3 GLU 18 HG1 GLU 18 33.375 -11.814 4.700 108 H CYS 19 HN CYS 19 33.246 -15.984 5.483 109 HA CYS 19 HA CYS 19 34.248 -17.294 7.839 110 HB2 CYS 19 HB2 CYS 19 31.849 -17.355 6.946 111 HB3 CYS 19 HB1 CYS 19 32.437 -18.523 5.764 112 HG CYS 19 HG CYS 19 32.806 -20.231 7.589 113 H GLU 20 HN GLU 20 34.531 -17.784 4.348 114 HA GLU 20 HA GLU 20 36.397 -20.018 4.828 115 HB2 GLU 20 HB2 GLU 20 35.397 -19.255 2.109 116 HB3 GLU 20 HB1 GLU 20 35.860 -20.841 2.726 117 HG2 GLU 20 HG2 GLU 20 33.367 -19.275 3.444 118 HG3 GLU 20 HG1 GLU 20 33.443 -20.773 2.516 119 H TYR 21 HN TYR 21 36.495 -16.771 4.458 120 HA TYR 21 HA TYR 21 38.447 -16.343 2.463 121 HB2 TYR 21 HB2 TYR 21 37.130 -14.509 3.395 122 HB3 TYR 21 HB1 TYR 21 37.864 -14.763 4.978 123 HD1 TYR 21 HD1 TYR 21 40.343 -14.412 5.270 124 HD2 TYR 21 HD2 TYR 21 38.260 -13.283 1.687 125 HE1 TYR 21 HE1 TYR 21 42.242 -12.953 4.626 126 HE2 TYR 21 HE2 TYR 21 40.160 -11.824 1.043 127 HH TYR 21 HH TYR 21 42.136 -11.013 1.634 128 H THR 22 HN THR 22 38.654 -17.395 5.787 129 HA THR 22 HA THR 22 41.509 -16.993 5.988 130 HB THR 22 HB THR 22 41.163 -18.418 8.100 131 HG1 THR 22 HG1 THR 22 38.471 -17.782 7.858 132 HG21 THR 22 HG21 THR 22 40.157 -16.522 9.291 133 HG22 THR 22 HG22 THR 22 39.572 -15.859 7.765 134 HG23 THR 22 HG23 THR 22 41.305 -15.946 8.083 135 H ASP 23 HN ASP 23 39.499 -19.320 4.575 136 HA ASP 23 HA ASP 23 41.586 -21.404 4.741 137 HB2 ASP 23 HB2 ASP 23 38.640 -21.449 4.570 138 HB3 ASP 23 HB1 ASP 23 39.469 -22.637 3.565 139 H TRP 24 HN TRP 24 39.221 -20.111 2.395 140 HA TRP 24 HA TRP 24 40.080 -21.176 0.060 141 HB2 TRP 24 HB2 TRP 24 38.408 -19.744 -0.463 142 HB3 TRP 24 HB1 TRP 24 38.856 -18.609 0.811 143 HD1 TRP 24 HD1 TRP 24 39.569 -19.479 -2.828 144 HE1 TRP 24 HE1 TRP 24 40.849 -17.525 -3.920 145 HE3 TRP 24 HE3 TRP 24 40.466 -16.600 1.294 146 HZ2 TRP 24 HZ2 TRP 24 42.088 -15.065 -3.146 147 HZ3 TRP 24 HZ3 TRP 24 41.696 -14.460 1.088 148 HH2 TRP 24 HH2 TRP 24 42.508 -13.688 -1.124 149 H LYS 25 HN LYS 25 41.688 -18.623 1.880 150 HA LYS 25 HA LYS 25 43.537 -17.717 0.030 151 HB2 LYS 25 HB2 LYS 25 43.136 -17.017 2.503 152 HB3 LYS 25 HB1 LYS 25 44.346 -18.245 2.875 153 HG2 LYS 25 HG2 LYS 25 45.869 -17.134 1.198 154 HG3 LYS 25 HG1 LYS 25 44.687 -15.831 1.076 155 HD2 LYS 25 HD2 LYS 25 44.869 -15.665 3.641 156 HD3 LYS 25 HD1 LYS 25 46.322 -16.653 3.478 157 HE2 LYS 25 HE2 LYS 25 46.772 -14.780 1.552 158 HE3 LYS 25 HE1 LYS 25 45.868 -13.826 2.728 159 HZ1 LYS 25 HZ1 LYS 25 47.942 -13.613 3.584 160 HZ2 LYS 25 HZ2 LYS 25 48.482 -15.106 2.981 161 HZ3 LYS 25 HZ3 LYS 25 47.501 -15.052 4.367 162 H SER 26 HN SER 26 43.645 -20.625 2.043 163 HA SER 26 HA SER 26 46.108 -21.468 0.647 164 HB2 SER 26 HB2 SER 26 45.028 -21.913 3.372 165 HB3 SER 26 HB1 SER 26 45.856 -23.277 2.627 166 HG SER 26 HG SER 26 47.134 -21.616 3.849 167 H SER 27 HN SER 27 42.752 -22.078 0.968 168 HA SER 27 HA SER 27 43.018 -24.759 -0.230 169 HB2 SER 27 HB2 SER 27 40.463 -23.519 0.775 170 HB3 SER 27 HB1 SER 27 40.833 -25.224 0.531 171 HG SER 27 HG SER 27 42.631 -24.116 2.187 172 H GLY 28 HN GLY 28 43.026 -21.799 -1.376 173 HA2 GLY 28 HA2 GLY 28 40.843 -21.925 -3.282 174 HA3 GLY 28 HA1 GLY 28 42.080 -20.676 -3.187 175 H ALA 29 HN ALA 29 43.759 -23.468 -3.068 176 HA ALA 29 HA ALA 29 44.285 -23.399 -5.965 177 HB1 ALA 29 HB1 ALA 29 46.078 -23.157 -4.023 178 HB2 ALA 29 HB2 ALA 29 46.457 -24.024 -5.511 179 HB3 ALA 29 HB3 ALA 29 46.009 -24.919 -4.059 180 H LEU 30 HN LEU 30 41.969 -24.750 -4.877 181 HA LEU 30 HA LEU 30 42.105 -27.184 -6.291 182 HB2 LEU 30 HB2 LEU 30 41.852 -28.739 -4.319 183 HB3 LEU 30 HB1 LEU 30 43.467 -28.059 -4.521 184 HG LEU 30 HG LEU 30 41.891 -26.268 -2.915 185 HD11 LEU 30 HD11 LEU 30 41.963 -29.161 -2.010 186 HD12 LEU 30 HD12 LEU 30 40.524 -28.184 -2.307 187 HD13 LEU 30 HD13 LEU 30 41.588 -27.799 -0.953 188 HD21 LEU 30 HD21 LEU 30 43.728 -26.725 -1.294 189 HD22 LEU 30 HD22 LEU 30 44.341 -26.397 -2.915 190 HD23 LEU 30 HD23 LEU 30 44.272 -28.055 -2.317 191 H ILE 31 HN ILE 31 40.558 -25.139 -3.922 192 HA ILE 31 HA ILE 31 38.059 -26.528 -3.911 193 HB ILE 31 HB ILE 31 38.844 -23.755 -3.013 194 HG12 ILE 31 HG12 ILE 31 39.498 -26.066 -1.861 195 HG13 ILE 31 HG11 ILE 31 39.021 -24.671 -0.898 196 HG21 ILE 31 HG21 ILE 31 36.554 -23.903 -1.838 197 HG22 ILE 31 HG22 ILE 31 36.171 -25.151 -3.025 198 HG23 ILE 31 HG23 ILE 31 36.560 -23.516 -3.557 199 HD11 ILE 31 HD11 ILE 31 37.887 -26.927 -0.360 200 HD12 ILE 31 HD12 ILE 31 36.982 -26.684 -1.852 201 HD13 ILE 31 HD13 ILE 31 36.842 -25.519 -0.535 202 HA PRO 32 HA PRO 32 36.956 -22.919 -7.045 203 HB2 PRO 32 HB2 PRO 32 39.338 -23.156 -8.795 204 HB3 PRO 32 HB1 PRO 32 38.472 -21.705 -8.257 205 HG2 PRO 32 HG2 PRO 32 40.879 -22.351 -7.297 206 HG3 PRO 32 HG1 PRO 32 39.644 -21.565 -6.296 207 HD2 PRO 32 HD2 PRO 32 40.517 -24.429 -6.314 208 HD3 PRO 32 HD1 PRO 32 40.014 -23.412 -4.949 209 H ALA 33 HN ALA 33 38.550 -25.950 -7.509 210 HA ALA 33 HA ALA 33 37.672 -26.568 -10.125 211 HB1 ALA 33 HB1 ALA 33 37.910 -29.001 -9.147 212 HB2 ALA 33 HB2 ALA 33 38.643 -28.158 -7.782 213 HB3 ALA 33 HB3 ALA 33 39.340 -27.999 -9.394 214 H ILE 34 HN ILE 34 36.451 -27.960 -7.072 215 HA ILE 34 HA ILE 34 34.079 -28.987 -8.173 216 HB ILE 34 HB ILE 34 34.957 -28.303 -5.383 217 HG12 ILE 34 HG12 ILE 34 34.835 -30.715 -5.109 218 HG13 ILE 34 HG11 ILE 34 34.061 -30.894 -6.684 219 HG21 ILE 34 HG21 ILE 34 32.668 -27.808 -5.157 220 HG22 ILE 34 HG22 ILE 34 32.742 -29.523 -4.751 221 HG23 ILE 34 HG23 ILE 34 32.194 -29.019 -6.349 222 HD11 ILE 34 HD11 ILE 34 36.038 -30.229 -7.843 223 HD12 ILE 34 HD12 ILE 34 36.573 -31.371 -6.610 224 HD13 ILE 34 HD13 ILE 34 36.793 -29.640 -6.362 225 H TYR 35 HN TYR 35 34.792 -25.880 -6.639 226 HA TYR 35 HA TYR 35 32.252 -24.817 -6.382 227 HB2 TYR 35 HB2 TYR 35 34.911 -23.836 -6.339 228 HB3 TYR 35 HB1 TYR 35 33.995 -22.791 -7.425 229 HD1 TYR 35 HD1 TYR 35 33.814 -24.405 -4.051 230 HD2 TYR 35 HD2 TYR 35 32.575 -21.139 -6.551 231 HE1 TYR 35 HE1 TYR 35 32.731 -23.320 -2.100 232 HE2 TYR 35 HE2 TYR 35 31.492 -20.055 -4.600 233 HH TYR 35 HH TYR 35 31.755 -21.453 -1.344 234 H MET 36 HN MET 36 34.376 -24.692 -9.241 235 HA MET 36 HA MET 36 32.598 -23.312 -10.926 236 HB2 MET 36 HB2 MET 36 34.992 -25.047 -11.332 237 HB3 MET 36 HB1 MET 36 33.985 -24.672 -12.730 238 HG2 MET 36 HG2 MET 36 35.016 -22.545 -10.842 239 HG3 MET 36 HG1 MET 36 35.889 -23.040 -12.291 240 HE1 MET 36 HE1 MET 36 34.537 -20.121 -11.351 241 HE2 MET 36 HE2 MET 36 33.193 -21.048 -10.689 242 HE3 MET 36 HE3 MET 36 32.897 -19.867 -11.962 243 H LEU 37 HN LEU 37 33.332 -26.803 -10.855 244 HA LEU 37 HA LEU 37 31.334 -27.609 -12.639 245 HB2 LEU 37 HB2 LEU 37 33.314 -28.943 -11.600 246 HB3 LEU 37 HB1 LEU 37 32.164 -29.328 -10.319 247 HG LEU 37 HG LEU 37 30.614 -29.836 -12.472 248 HD11 LEU 37 HD11 LEU 37 31.967 -30.982 -14.176 249 HD12 LEU 37 HD12 LEU 37 33.443 -30.550 -13.310 250 HD13 LEU 37 HD13 LEU 37 32.451 -29.290 -14.046 251 HD21 LEU 37 HD21 LEU 37 30.827 -31.483 -10.796 252 HD22 LEU 37 HD22 LEU 37 32.579 -31.570 -10.976 253 HD23 LEU 37 HD23 LEU 37 31.529 -32.260 -12.214 254 H VAL 38 HN VAL 38 30.989 -26.254 -9.585 255 HA VAL 38 HA VAL 38 28.285 -27.419 -9.260 256 HB VAL 38 HB VAL 38 30.258 -26.392 -7.221 257 HG11 VAL 38 HG11 VAL 38 28.240 -25.443 -6.457 258 HG12 VAL 38 HG12 VAL 38 28.300 -26.995 -5.621 259 HG13 VAL 38 HG13 VAL 38 27.277 -26.798 -7.043 260 HG21 VAL 38 HG21 VAL 38 29.880 -28.635 -6.247 261 HG22 VAL 38 HG22 VAL 38 30.456 -28.755 -7.909 262 HG23 VAL 38 HG23 VAL 38 28.748 -29.005 -7.548 263 H PHE 39 HN PHE 39 30.048 -24.628 -10.008 264 HA PHE 39 HA PHE 39 27.937 -22.803 -9.107 265 HB2 PHE 39 HB2 PHE 39 30.275 -22.130 -8.743 266 HB3 PHE 39 HB1 PHE 39 30.574 -22.232 -10.478 267 HD1 PHE 39 HD2 PHE 39 28.338 -20.571 -7.977 268 HD2 PHE 39 HD1 PHE 39 30.178 -20.371 -11.853 269 HE1 PHE 39 HE2 PHE 39 27.488 -18.259 -8.261 270 HE2 PHE 39 HE1 PHE 39 29.328 -18.059 -12.137 271 HZ PHE 39 HZ PHE 39 27.982 -17.003 -10.341 272 H LEU 40 HN LEU 40 29.650 -23.639 -12.128 273 HA LEU 40 HA LEU 40 27.816 -22.175 -13.774 274 HB2 LEU 40 HB2 LEU 40 29.000 -23.178 -15.647 275 HB3 LEU 40 HB1 LEU 40 30.167 -22.645 -14.437 276 HG LEU 40 HG LEU 40 29.578 -25.222 -13.622 277 HD11 LEU 40 HD11 LEU 40 29.783 -26.614 -15.637 278 HD12 LEU 40 HD12 LEU 40 29.794 -25.170 -16.648 279 HD13 LEU 40 HD13 LEU 40 28.344 -25.600 -15.741 280 HD21 LEU 40 HD21 LEU 40 31.792 -24.273 -15.471 281 HD22 LEU 40 HD22 LEU 40 31.837 -25.741 -14.495 282 HD23 LEU 40 HD23 LEU 40 31.805 -24.162 -13.710 283 H LEU 41 HN LEU 41 27.634 -25.148 -12.189 284 HA LEU 41 HA LEU 41 25.888 -26.426 -14.136 285 HB2 LEU 41 HB2 LEU 41 27.408 -27.254 -11.835 286 HB3 LEU 41 HB1 LEU 41 25.728 -27.755 -11.648 287 HG LEU 41 HG LEU 41 27.374 -28.244 -14.145 288 HD11 LEU 41 HD11 LEU 41 28.329 -29.940 -13.011 289 HD12 LEU 41 HD12 LEU 41 26.730 -30.672 -12.877 290 HD13 LEU 41 HD13 LEU 41 27.328 -29.619 -11.595 291 HD21 LEU 41 HD21 LEU 41 24.590 -28.317 -13.629 292 HD22 LEU 41 HD22 LEU 41 25.124 -29.997 -13.705 293 HD23 LEU 41 HD23 LEU 41 25.426 -28.913 -15.063 294 H GLY 42 HN GLY 42 25.667 -24.889 -10.954 295 HA2 GLY 42 HA2 GLY 42 22.780 -25.219 -10.850 296 HA3 GLY 42 HA1 GLY 42 23.788 -24.421 -9.647 297 H THR 43 HN THR 43 25.015 -22.421 -10.850 298 HA THR 43 HA THR 43 23.226 -20.355 -11.063 299 HB THR 43 HB THR 43 25.853 -20.637 -12.530 300 HG1 THR 43 HG1 THR 43 26.438 -20.668 -10.497 301 HG21 THR 43 HG21 THR 43 24.768 -18.793 -13.522 302 HG22 THR 43 HG22 THR 43 25.749 -18.067 -12.249 303 HG23 THR 43 HG23 THR 43 24.019 -18.306 -12.001 304 H THR 44 HN THR 44 23.668 -22.886 -13.280 305 HA THR 44 HA THR 44 22.356 -21.371 -15.450 306 HB THR 44 HB THR 44 24.174 -23.756 -15.400 307 HG1 THR 44 HG1 THR 44 25.319 -22.104 -16.024 308 HG21 THR 44 HG21 THR 44 23.532 -23.921 -17.908 309 HG22 THR 44 HG22 THR 44 22.043 -23.110 -17.425 310 HG23 THR 44 HG23 THR 44 22.464 -24.673 -16.724 311 H GLY 45 HN GLY 45 22.081 -24.064 -13.263 312 HA2 GLY 45 HA2 GLY 45 19.487 -24.814 -14.478 313 HA3 GLY 45 HA1 GLY 45 20.503 -25.905 -13.542 314 H ASN 46 HN ASN 46 20.330 -22.695 -12.373 315 HA ASN 46 HA ASN 46 18.161 -23.347 -10.495 316 HB2 ASN 46 HB2 ASN 46 19.504 -23.476 -8.707 317 HB3 ASN 46 HB1 ASN 46 20.886 -23.458 -9.800 318 HD21 ASN 46 HD21 ASN 46 21.895 -21.332 -10.253 319 HD22 ASN 46 HD22 ASN 46 21.669 -20.037 -9.180 320 H GLY 47 HN GLY 47 20.462 -20.892 -11.642 321 HA2 GLY 47 HA2 GLY 47 18.986 -18.658 -10.660 322 HA3 GLY 47 HA1 GLY 47 20.269 -18.604 -11.866 323 H LEU 48 HN LEU 48 19.245 -20.184 -13.867 324 HA LEU 48 HA LEU 48 17.582 -18.429 -15.273 325 HB2 LEU 48 HB2 LEU 48 18.925 -20.054 -16.454 326 HB3 LEU 48 HB1 LEU 48 18.098 -21.389 -15.655 327 HG LEU 48 HG LEU 48 16.022 -20.871 -16.801 328 HD11 LEU 48 HD11 LEU 48 15.914 -18.524 -16.922 329 HD12 LEU 48 HD12 LEU 48 16.190 -18.989 -18.601 330 HD13 LEU 48 HD13 LEU 48 17.529 -18.393 -17.619 331 HD21 LEU 48 HD21 LEU 48 17.631 -20.527 -19.187 332 HD22 LEU 48 HD22 LEU 48 16.750 -21.953 -18.638 333 HD23 LEU 48 HD23 LEU 48 18.399 -21.666 -18.082 334 H VAL 49 HN VAL 49 16.769 -21.464 -13.593 335 HA VAL 49 HA VAL 49 14.007 -21.415 -14.136 336 HB VAL 49 HB VAL 49 15.703 -22.725 -12.033 337 HG11 VAL 49 HG11 VAL 49 13.464 -23.934 -11.464 338 HG12 VAL 49 HG12 VAL 49 12.702 -22.491 -12.135 339 HG13 VAL 49 HG13 VAL 49 13.772 -22.356 -10.741 340 HG21 VAL 49 HG21 VAL 49 15.516 -23.559 -14.425 341 HG22 VAL 49 HG22 VAL 49 13.810 -23.871 -14.104 342 HG23 VAL 49 HG23 VAL 49 15.051 -24.733 -13.193 343 H LEU 50 HN LEU 50 15.588 -20.672 -11.020 344 HA LEU 50 HA LEU 50 13.446 -19.571 -9.697 345 HB2 LEU 50 HB2 LEU 50 16.394 -19.062 -9.579 346 HB3 LEU 50 HB1 LEU 50 15.307 -18.036 -8.642 347 HG LEU 50 HG LEU 50 14.944 -21.010 -8.519 348 HD11 LEU 50 HD11 LEU 50 16.524 -20.686 -6.394 349 HD12 LEU 50 HD12 LEU 50 17.234 -19.436 -7.415 350 HD13 LEU 50 HD13 LEU 50 17.188 -21.108 -7.973 351 HD21 LEU 50 HD21 LEU 50 13.819 -20.525 -6.553 352 HD22 LEU 50 HD22 LEU 50 13.557 -19.011 -7.420 353 HD23 LEU 50 HD23 LEU 50 14.826 -19.122 -6.201 354 H TRP 51 HN TRP 51 15.380 -18.157 -12.240 355 HA TRP 51 HA TRP 51 14.409 -15.472 -11.875 356 HB2 TRP 51 HB2 TRP 51 16.550 -15.792 -12.944 357 HB3 TRP 51 HB1 TRP 51 15.832 -16.827 -14.178 358 HD1 TRP 51 HD1 TRP 51 16.146 -13.191 -13.113 359 HE1 TRP 51 HE1 TRP 51 15.318 -11.682 -15.033 360 HE3 TRP 51 HE3 TRP 51 14.209 -16.728 -16.244 361 HZ2 TRP 51 HZ2 TRP 51 14.007 -11.940 -17.561 362 HZ3 TRP 51 HZ3 TRP 51 13.178 -16.070 -18.401 363 HH2 TRP 51 HH2 TRP 51 13.075 -13.683 -19.061 364 H THR 52 HN THR 52 13.738 -18.079 -14.214 365 HA THR 52 HA THR 52 11.739 -16.708 -15.657 366 HB THR 52 HB THR 52 12.439 -19.601 -15.275 367 HG1 THR 52 HG1 THR 52 12.117 -18.505 -17.759 368 HG21 THR 52 HG21 THR 52 10.635 -19.956 -17.112 369 HG22 THR 52 HG22 THR 52 9.945 -18.451 -16.505 370 HG23 THR 52 HG23 THR 52 10.108 -19.842 -15.433 371 H VAL 53 HN VAL 53 11.462 -19.086 -13.012 372 HA VAL 53 HA VAL 53 8.708 -19.147 -12.739 373 HB VAL 53 HB VAL 53 10.856 -19.296 -10.613 374 HG11 VAL 53 HG11 VAL 53 8.939 -18.837 -9.349 375 HG12 VAL 53 HG12 VAL 53 8.900 -20.597 -9.444 376 HG13 VAL 53 HG13 VAL 53 7.869 -19.634 -10.502 377 HG21 VAL 53 HG21 VAL 53 10.587 -20.996 -12.609 378 HG22 VAL 53 HG22 VAL 53 9.208 -21.575 -11.672 379 HG23 VAL 53 HG23 VAL 53 10.826 -21.604 -10.971 380 H PHE 54 HN PHE 54 10.939 -17.064 -10.877 381 HA PHE 54 HA PHE 54 9.173 -15.532 -9.472 382 HB2 PHE 54 HB2 PHE 54 11.872 -15.141 -10.539 383 HB3 PHE 54 HB1 PHE 54 10.980 -13.632 -10.339 384 HD1 PHE 54 HD2 PHE 54 11.668 -16.843 -8.524 385 HD2 PHE 54 HD1 PHE 54 10.927 -12.622 -8.230 386 HE1 PHE 54 HE2 PHE 54 12.041 -16.948 -6.075 387 HE2 PHE 54 HE1 PHE 54 11.300 -12.727 -5.782 388 HZ PHE 54 HZ PHE 54 11.856 -14.890 -4.703 389 H ARG 55 HN ARG 55 10.211 -14.954 -12.827 390 HA ARG 55 HA ARG 55 8.428 -12.729 -13.192 391 HB2 ARG 55 HB2 ARG 55 10.400 -14.219 -14.811 392 HB3 ARG 55 HB1 ARG 55 9.069 -13.497 -15.717 393 HG2 ARG 55 HG2 ARG 55 9.594 -11.315 -14.985 394 HG3 ARG 55 HG1 ARG 55 10.582 -11.907 -13.648 395 HD2 ARG 55 HD2 ARG 55 11.608 -11.045 -16.021 396 HD3 ARG 55 HD1 ARG 55 12.418 -12.194 -14.960 397 HE ARG 55 HE ARG 55 11.935 -13.884 -16.493 398 HH11 ARG 55 HH21 ARG 55 10.161 -10.991 -17.178 399 HH12 ARG 55 HH22 ARG 55 9.586 -11.543 -18.716 400 HH21 ARG 55 HH11 ARG 55 11.185 -14.613 -18.510 401 HH22 ARG 55 HH12 ARG 55 10.166 -13.593 -19.471 402 H LYS 56 HN LYS 56 8.268 -16.181 -13.645 403 HA LYS 56 HA LYS 56 6.109 -16.320 -15.448 404 HB2 LYS 56 HB2 LYS 56 7.671 -18.198 -14.619 405 HB3 LYS 56 HB1 LYS 56 6.570 -18.320 -13.245 406 HG2 LYS 56 HG2 LYS 56 5.418 -19.744 -14.594 407 HG3 LYS 56 HG1 LYS 56 4.800 -18.261 -15.323 408 HD2 LYS 56 HD2 LYS 56 6.645 -18.313 -16.975 409 HD3 LYS 56 HD1 LYS 56 7.230 -19.817 -16.261 410 HE2 LYS 56 HE2 LYS 56 4.395 -19.995 -16.854 411 HE3 LYS 56 HE1 LYS 56 5.312 -19.564 -18.297 412 HZ1 LYS 56 HZ1 LYS 56 6.262 -21.565 -18.375 413 HZ2 LYS 56 HZ2 LYS 56 5.037 -22.065 -17.310 414 HZ3 LYS 56 HZ3 LYS 56 6.559 -21.608 -16.706 415 H LYS 57 HN LYS 57 6.077 -16.724 -11.898 416 HA LYS 57 HA LYS 57 3.198 -16.408 -11.822 417 HB2 LYS 57 HB2 LYS 57 5.338 -16.957 -9.790 418 HB3 LYS 57 HB1 LYS 57 3.730 -16.457 -9.265 419 HG2 LYS 57 HG2 LYS 57 2.731 -18.396 -10.005 420 HG3 LYS 57 HG1 LYS 57 3.891 -18.618 -11.316 421 HD2 LYS 57 HD2 LYS 57 5.569 -19.437 -9.821 422 HD3 LYS 57 HD1 LYS 57 4.648 -18.930 -8.404 423 HE2 LYS 57 HE2 LYS 57 3.181 -20.743 -10.206 424 HE3 LYS 57 HE1 LYS 57 4.606 -21.466 -9.458 425 HZ1 LYS 57 HZ1 LYS 57 3.771 -21.154 -7.354 426 HZ2 LYS 57 HZ2 LYS 57 2.354 -21.508 -8.220 427 HZ3 LYS 57 HZ3 LYS 57 2.729 -19.900 -7.821 428 H GLY 58 HN GLY 58 5.902 -14.349 -11.754 429 HA2 GLY 58 HA2 GLY 58 4.738 -12.284 -10.096 430 HA3 GLY 58 HA1 GLY 58 6.221 -12.161 -11.038 431 H HIS 59 HN HIS 59 4.888 -13.081 -13.502 432 HA HIS 59 HA HIS 59 4.176 -10.583 -14.583 433 HB2 HIS 59 HB2 HIS 59 4.395 -13.325 -15.509 434 HB3 HIS 59 HB1 HIS 59 3.010 -12.510 -16.235 435 HD2 HIS 59 HD2 HIS 59 6.640 -12.849 -17.029 436 HE1 HIS 59 HE1 HIS 59 5.640 -8.993 -18.426 437 HE2 HIS 59 HE2 HIS 59 7.396 -10.825 -18.496 438 H HIS 60 HN HIS 60 2.443 -12.548 -12.515 439 HA HIS 60 HA HIS 60 -0.042 -11.123 -13.161 440 HB2 HIS 60 HB2 HIS 60 0.225 -13.653 -14.059 441 HB3 HIS 60 HB1 HIS 60 -0.370 -13.978 -12.431 442 HD2 HIS 60 HD2 HIS 60 -1.568 -11.144 -14.977 443 HE1 HIS 60 HE1 HIS 60 -4.919 -13.338 -13.641 444 HE2 HIS 60 HE2 HIS 60 -4.166 -11.381 -15.074 445 H HIS 61 HN HIS 61 1.833 -10.676 -11.074 446 HA HIS 61 HA HIS 61 1.043 -11.944 -8.648 447 HB2 HIS 61 HB2 HIS 61 3.008 -10.077 -9.461 448 HB3 HIS 61 HB1 HIS 61 2.071 -9.302 -8.183 449 HD2 HIS 61 HD2 HIS 61 5.170 -11.140 -8.087 450 HE1 HIS 61 HE1 HIS 61 3.021 -12.955 -4.939 451 HE2 HIS 61 HE2 HIS 61 5.324 -12.656 -5.966 452 H HIS 62 HN HIS 62 0.421 -10.202 -6.787 453 HA HIS 62 HA HIS 62 -2.294 -9.440 -7.441 454 HB2 HIS 62 HB2 HIS 62 -1.632 -8.487 -4.872 455 HB3 HIS 62 HB1 HIS 62 -2.536 -9.949 -5.272 456 HD2 HIS 62 HD2 HIS 62 -1.016 -12.360 -5.159 457 HE1 HIS 62 HE1 HIS 62 2.479 -10.583 -3.592 458 HE2 HIS 62 HE2 HIS 62 1.335 -12.791 -4.108 459 H HIS 63 HN HIS 63 0.138 -7.589 -5.620 460 HA HIS 63 HA HIS 63 -0.875 -5.132 -6.859 461 HB2 HIS 63 HB2 HIS 63 -0.358 -5.591 -4.291 462 HB3 HIS 63 HB1 HIS 63 1.264 -5.105 -4.780 463 HD2 HIS 63 HD2 HIS 63 -0.839 -3.096 -2.979 464 HE1 HIS 63 HE1 HIS 63 -0.699 -0.751 -6.487 465 HE2 HIS 63 HE2 HIS 63 -1.286 -0.741 -4.017 466 H HIS 64 HN HIS 64 0.584 -6.804 -8.572 467 HA HIS 64 HA HIS 64 2.442 -6.885 -9.941 468 HB2 HIS 64 HB2 HIS 64 2.624 -3.909 -9.598 469 HB3 HIS 64 HB1 HIS 64 2.825 -4.876 -11.059 470 HD2 HIS 64 HD2 HIS 64 -0.117 -6.532 -10.689 471 HE1 HIS 64 HE1 HIS 64 -1.750 -2.657 -11.071 472 HE2 HIS 64 HE2 HIS 64 -2.270 -5.140 -11.186 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 35.865 -4.883 5.535 2 H2 MET 1 HT2 MET 1 36.786 -3.466 5.360 3 H3 MET 1 HT3 MET 1 35.148 -3.480 4.906 4 HA MET 1 HA MET 1 34.497 -2.936 6.935 5 HB2 MET 1 HB2 MET 1 36.324 -5.175 7.858 6 HB3 MET 1 HB1 MET 1 35.141 -4.351 8.875 7 HG2 MET 1 HG2 MET 1 33.401 -5.494 7.975 8 HG3 MET 1 HG1 MET 1 34.030 -5.331 6.335 9 HE1 MET 1 HE1 MET 1 32.765 -7.812 6.380 10 HE2 MET 1 HE2 MET 1 33.993 -9.006 5.968 11 HE3 MET 1 HE3 MET 1 34.006 -7.433 5.178 12 H GLU 2 HN GLU 2 35.373 -0.890 6.971 13 HA GLU 2 HA GLU 2 38.112 -0.310 7.437 14 HB2 GLU 2 HB2 GLU 2 37.287 2.004 7.884 15 HB3 GLU 2 HB1 GLU 2 36.675 1.329 6.374 16 HG2 GLU 2 HG2 GLU 2 34.914 0.605 8.537 17 HG3 GLU 2 HG1 GLU 2 35.161 2.350 8.536 18 H GLU 3 HN GLU 3 39.100 0.580 9.311 19 HA GLU 3 HA GLU 3 39.641 0.555 11.544 20 HB2 GLU 3 HB2 GLU 3 36.656 0.825 11.957 21 HB3 GLU 3 HB1 GLU 3 37.933 1.304 13.076 22 HG2 GLU 3 HG2 GLU 3 38.784 2.868 11.270 23 HG3 GLU 3 HG1 GLU 3 37.306 2.515 10.375 24 H GLY 4 HN GLY 4 40.314 -1.657 11.443 25 HA2 GLY 4 HA2 GLY 4 38.569 -3.431 13.024 26 HA3 GLY 4 HA1 GLY 4 39.279 -4.026 11.525 27 H GLY 5 HN GLY 5 41.809 -3.064 11.573 28 HA2 GLY 5 HA2 GLY 5 43.495 -2.888 13.576 29 HA3 GLY 5 HA1 GLY 5 42.980 -4.555 13.815 30 H ASP 6 HN ASP 6 45.008 -5.437 13.375 31 HA ASP 6 HA ASP 6 46.661 -6.346 12.066 32 HB2 ASP 6 HB2 ASP 6 45.067 -5.639 9.622 33 HB3 ASP 6 HB1 ASP 6 46.069 -7.059 9.923 34 H PHE 7 HN PHE 7 47.278 -3.876 12.867 35 HA PHE 7 HA PHE 7 47.894 -2.130 10.646 36 HB2 PHE 7 HB2 PHE 7 47.508 -1.712 13.317 37 HB3 PHE 7 HB1 PHE 7 49.266 -1.668 13.218 38 HD1 PHE 7 HD2 PHE 7 49.735 -0.560 10.535 39 HD2 PHE 7 HD1 PHE 7 46.811 0.523 13.490 40 HE1 PHE 7 HE2 PHE 7 49.619 1.726 9.582 41 HE2 PHE 7 HE1 PHE 7 46.694 2.809 12.536 42 HZ PHE 7 HZ PHE 7 48.099 3.411 10.582 43 H ASP 8 HN ASP 8 48.979 -4.704 10.302 44 HA ASP 8 HA ASP 8 51.806 -4.007 10.063 45 HB2 ASP 8 HB2 ASP 8 50.760 -6.332 11.664 46 HB3 ASP 8 HB1 ASP 8 52.358 -6.378 10.922 47 H ASN 9 HN ASN 9 49.406 -4.499 8.322 48 HA ASN 9 HA ASN 9 49.472 -6.920 6.980 49 HB2 ASN 9 HB2 ASN 9 49.054 -4.167 5.790 50 HB3 ASN 9 HB1 ASN 9 48.595 -5.691 5.033 51 HD21 ASN 9 HD21 ASN 9 47.654 -6.992 7.483 52 HD22 ASN 9 HD22 ASN 9 46.222 -6.203 7.940 53 H TYR 10 HN TYR 10 51.181 -3.961 5.933 54 HA TYR 10 HA TYR 10 52.811 -5.374 4.070 55 HB2 TYR 10 HB2 TYR 10 52.125 -2.752 4.417 56 HB3 TYR 10 HB1 TYR 10 53.787 -2.756 5.001 57 HD1 TYR 10 HD2 TYR 10 55.063 -4.820 3.356 58 HD2 TYR 10 HD1 TYR 10 52.180 -1.829 2.260 59 HE1 TYR 10 HE2 TYR 10 55.880 -4.890 1.016 60 HE2 TYR 10 HE1 TYR 10 52.998 -1.900 -0.081 61 HH TYR 10 HH TYR 10 55.905 -3.393 -0.966 62 H TYR 11 HN TYR 11 52.980 -6.552 6.637 63 HA TYR 11 HA TYR 11 55.817 -6.745 6.911 64 HB2 TYR 11 HB2 TYR 11 55.310 -4.591 8.138 65 HB3 TYR 11 HB1 TYR 11 54.374 -5.551 9.284 66 HD1 TYR 11 HD2 TYR 11 57.762 -5.284 7.723 67 HD2 TYR 11 HD1 TYR 11 55.441 -6.667 11.062 68 HE1 TYR 11 HE2 TYR 11 59.848 -5.890 8.921 69 HE2 TYR 11 HE1 TYR 11 57.526 -7.272 12.260 70 HH TYR 11 HH TYR 11 59.863 -6.743 12.262 71 H GLY 12 HN GLY 12 53.736 -8.557 6.402 72 HA2 GLY 12 HA2 GLY 12 54.261 -10.819 7.658 73 HA3 GLY 12 HA1 GLY 12 53.284 -10.029 8.892 74 H ALA 13 HN ALA 13 52.694 -9.491 5.505 75 HA ALA 13 HA ALA 13 50.155 -10.989 5.738 76 HB1 ALA 13 HB1 ALA 13 49.752 -8.635 5.400 77 HB2 ALA 13 HB2 ALA 13 49.376 -9.475 3.894 78 HB3 ALA 13 HB3 ALA 13 50.892 -8.587 4.054 79 H ASP 14 HN ASP 14 52.974 -10.365 3.724 80 HA ASP 14 HA ASP 14 52.064 -12.253 1.688 81 HB2 ASP 14 HB2 ASP 14 54.531 -10.521 1.929 82 HB3 ASP 14 HB1 ASP 14 54.254 -11.644 0.599 83 H ASN 15 HN ASN 15 54.336 -12.037 4.344 84 HA ASN 15 HA ASN 15 56.084 -14.104 3.847 85 HB2 ASN 15 HB2 ASN 15 54.836 -13.060 6.366 86 HB3 ASN 15 HB1 ASN 15 55.874 -14.483 6.428 87 HD21 ASN 15 HD21 ASN 15 56.201 -11.430 7.196 88 HD22 ASN 15 HD22 ASN 15 57.729 -11.060 6.557 89 H GLN 16 HN GLN 16 52.689 -14.273 4.553 90 HA GLN 16 HA GLN 16 52.740 -17.118 5.153 91 HB2 GLN 16 HB2 GLN 16 50.419 -15.220 4.727 92 HB3 GLN 16 HB1 GLN 16 50.289 -16.884 5.296 93 HG2 GLN 16 HG2 GLN 16 51.649 -16.344 7.263 94 HG3 GLN 16 HG1 GLN 16 51.855 -14.691 6.686 95 HE21 GLN 16 HE21 GLN 16 50.206 -13.191 7.185 96 HE22 GLN 16 HE22 GLN 16 48.748 -13.611 7.948 97 H SER 17 HN SER 17 51.865 -14.985 2.479 98 HA SER 17 HA SER 17 50.636 -16.892 0.816 99 HB2 SER 17 HB2 SER 17 50.902 -15.315 -0.941 100 HB3 SER 17 HB1 SER 17 50.696 -14.360 0.524 101 HG SER 17 HG SER 17 53.183 -14.652 0.512 102 H GLU 18 HN GLU 18 54.010 -15.727 0.836 103 HA GLU 18 HA GLU 18 54.976 -17.447 -1.158 104 HB2 GLU 18 HB2 GLU 18 57.109 -16.743 -0.535 105 HB3 GLU 18 HB1 GLU 18 56.102 -15.415 0.042 106 HG2 GLU 18 HG2 GLU 18 55.978 -16.785 2.256 107 HG3 GLU 18 HG1 GLU 18 57.393 -17.626 1.625 108 H CYS 19 HN CYS 19 53.720 -18.234 1.829 109 HA CYS 19 HA CYS 19 55.371 -20.659 2.110 110 HB2 CYS 19 HB2 CYS 19 54.196 -18.862 3.983 111 HB3 CYS 19 HB1 CYS 19 53.421 -20.434 4.182 112 HG CYS 19 HG CYS 19 56.011 -21.381 4.252 113 H GLU 20 HN GLU 20 52.076 -19.531 1.593 114 HA GLU 20 HA GLU 20 51.010 -22.239 1.568 115 HB2 GLU 20 HB2 GLU 20 48.900 -21.267 1.496 116 HB3 GLU 20 HB1 GLU 20 49.825 -20.035 2.357 117 HG2 GLU 20 HG2 GLU 20 50.290 -19.060 -0.013 118 HG3 GLU 20 HG1 GLU 20 48.917 -20.045 -0.514 119 H TYR 21 HN TYR 21 52.177 -19.858 -0.670 120 HA TYR 21 HA TYR 21 50.932 -20.569 -3.041 121 HB2 TYR 21 HB2 TYR 21 52.323 -18.751 -3.311 122 HB3 TYR 21 HB1 TYR 21 53.617 -19.464 -2.348 123 HD1 TYR 21 HD1 TYR 21 55.107 -21.187 -3.313 124 HD2 TYR 21 HD2 TYR 21 52.101 -19.226 -5.674 125 HE1 TYR 21 HE1 TYR 21 56.204 -21.998 -5.384 126 HE2 TYR 21 HE2 TYR 21 53.198 -20.038 -7.744 127 HH TYR 21 HH TYR 21 55.123 -20.942 -8.571 128 H THR 22 HN THR 22 53.613 -22.142 -1.368 129 HA THR 22 HA THR 22 54.232 -23.997 -3.439 130 HB THR 22 HB THR 22 55.439 -25.221 -1.646 131 HG1 THR 22 HG1 THR 22 53.671 -24.025 -0.135 132 HG21 THR 22 HG21 THR 22 56.328 -23.133 -2.826 133 HG22 THR 22 HG22 THR 22 57.084 -23.536 -1.284 134 HG23 THR 22 HG23 THR 22 55.885 -22.246 -1.368 135 H ASP 23 HN ASP 23 51.741 -23.828 -1.060 136 HA ASP 23 HA ASP 23 51.094 -26.677 -1.336 137 HB2 ASP 23 HB2 ASP 23 50.726 -24.697 0.710 138 HB3 ASP 23 HB1 ASP 23 49.157 -25.345 0.238 139 H TRP 24 HN TRP 24 49.364 -23.557 -1.547 140 HA TRP 24 HA TRP 24 46.985 -24.322 -2.616 141 HB2 TRP 24 HB2 TRP 24 47.006 -22.053 -2.409 142 HB3 TRP 24 HB1 TRP 24 48.689 -21.918 -2.918 143 HD1 TRP 24 HD1 TRP 24 45.148 -22.271 -4.334 144 HE1 TRP 24 HE1 TRP 24 45.170 -21.530 -6.803 145 HE3 TRP 24 HE3 TRP 24 50.165 -21.599 -5.008 146 HZ2 TRP 24 HZ2 TRP 24 47.066 -20.754 -8.800 147 HZ3 TRP 24 HZ3 TRP 24 51.052 -20.859 -7.200 148 HH2 TRP 24 HH2 TRP 24 49.510 -20.436 -9.095 149 H LYS 25 HN LYS 25 49.992 -23.806 -4.451 150 HA LYS 25 HA LYS 25 49.028 -24.301 -7.015 151 HB2 LYS 25 HB2 LYS 25 51.361 -23.531 -6.320 152 HB3 LYS 25 HB1 LYS 25 51.728 -25.234 -6.043 153 HG2 LYS 25 HG2 LYS 25 51.151 -25.765 -8.364 154 HG3 LYS 25 HG1 LYS 25 50.706 -24.083 -8.656 155 HD2 LYS 25 HD2 LYS 25 52.970 -23.341 -8.328 156 HD3 LYS 25 HD1 LYS 25 53.464 -24.927 -7.736 157 HE2 LYS 25 HE2 LYS 25 54.176 -24.671 -10.060 158 HE3 LYS 25 HE1 LYS 25 52.911 -25.895 -9.965 159 HZ1 LYS 25 HZ1 LYS 25 52.254 -23.068 -10.497 160 HZ2 LYS 25 HZ2 LYS 25 51.337 -24.457 -10.840 161 HZ3 LYS 25 HZ3 LYS 25 52.723 -24.102 -11.756 162 H SER 26 HN SER 26 49.830 -26.533 -4.432 163 HA SER 26 HA SER 26 49.509 -28.855 -6.172 164 HB2 SER 26 HB2 SER 26 51.215 -28.641 -4.245 165 HB3 SER 26 HB1 SER 26 49.842 -28.930 -3.181 166 HG SER 26 HG SER 26 50.430 -30.588 -5.398 167 H SER 27 HN SER 27 47.948 -27.459 -3.288 168 HA SER 27 HA SER 27 45.757 -29.339 -3.407 169 HB2 SER 27 HB2 SER 27 46.436 -26.975 -1.688 170 HB3 SER 27 HB1 SER 27 44.814 -27.661 -1.651 171 HG SER 27 HG SER 27 45.694 -29.029 -0.312 172 H GLY 28 HN GLY 28 46.478 -27.062 -5.493 173 HA2 GLY 28 HA2 GLY 28 43.907 -25.677 -5.607 174 HA3 GLY 28 HA1 GLY 28 45.296 -25.388 -6.650 175 H ALA 29 HN ALA 29 44.690 -28.681 -6.314 176 HA ALA 29 HA ALA 29 43.346 -28.748 -8.945 177 HB1 ALA 29 HB1 ALA 29 45.395 -29.866 -9.180 178 HB2 ALA 29 HB2 ALA 29 44.248 -31.175 -8.894 179 HB3 ALA 29 HB3 ALA 29 45.281 -30.605 -7.583 180 H LEU 30 HN LEU 30 42.213 -28.579 -6.099 181 HA LEU 30 HA LEU 30 40.281 -30.777 -6.449 182 HB2 LEU 30 HB2 LEU 30 40.242 -31.105 -3.990 183 HB3 LEU 30 HB1 LEU 30 41.806 -31.507 -4.698 184 HG LEU 30 HG LEU 30 41.964 -28.767 -4.121 185 HD11 LEU 30 HD11 LEU 30 40.716 -30.316 -1.829 186 HD12 LEU 30 HD12 LEU 30 39.960 -28.985 -2.705 187 HD13 LEU 30 HD13 LEU 30 41.388 -28.690 -1.714 188 HD21 LEU 30 HD21 LEU 30 43.765 -30.456 -3.941 189 HD22 LEU 30 HD22 LEU 30 42.963 -31.154 -2.533 190 HD23 LEU 30 HD23 LEU 30 43.621 -29.519 -2.453 191 H ILE 31 HN ILE 31 41.026 -27.562 -5.242 192 HA ILE 31 HA ILE 31 38.425 -27.007 -4.215 193 HB ILE 31 HB ILE 31 40.178 -24.810 -5.188 194 HG12 ILE 31 HG12 ILE 31 40.928 -26.894 -3.156 195 HG13 ILE 31 HG11 ILE 31 41.936 -26.122 -4.380 196 HG21 ILE 31 HG21 ILE 31 39.368 -23.710 -3.274 197 HG22 ILE 31 HG22 ILE 31 39.007 -25.224 -2.444 198 HG23 ILE 31 HG23 ILE 31 37.989 -24.685 -3.780 199 HD11 ILE 31 HD11 ILE 31 42.637 -25.078 -2.395 200 HD12 ILE 31 HD12 ILE 31 40.999 -25.013 -1.743 201 HD13 ILE 31 HD13 ILE 31 41.470 -23.932 -3.054 202 HA PRO 32 HA PRO 32 38.017 -24.813 -8.582 203 HB2 PRO 32 HB2 PRO 32 39.289 -26.889 -10.267 204 HB3 PRO 32 HB1 PRO 32 39.423 -25.124 -10.359 205 HG2 PRO 32 HG2 PRO 32 41.430 -26.659 -9.478 206 HG3 PRO 32 HG1 PRO 32 41.122 -25.038 -8.831 207 HD2 PRO 32 HD2 PRO 32 40.508 -27.704 -7.610 208 HD3 PRO 32 HD1 PRO 32 41.035 -26.199 -6.826 209 H ALA 33 HN ALA 33 38.022 -28.295 -8.068 210 HA ALA 33 HA ALA 33 36.016 -29.040 -9.883 211 HB1 ALA 33 HB1 ALA 33 37.290 -30.769 -8.859 212 HB2 ALA 33 HB2 ALA 33 35.646 -30.957 -8.249 213 HB3 ALA 33 HB3 ALA 33 36.882 -30.208 -7.238 214 H ILE 34 HN ILE 34 35.615 -28.669 -6.352 215 HA ILE 34 HA ILE 34 32.829 -28.676 -6.333 216 HB ILE 34 HB ILE 34 34.923 -27.586 -4.489 217 HG12 ILE 34 HG12 ILE 34 33.992 -30.053 -4.768 218 HG13 ILE 34 HG11 ILE 34 34.340 -29.404 -3.166 219 HG21 ILE 34 HG21 ILE 34 32.920 -27.105 -2.914 220 HG22 ILE 34 HG22 ILE 34 31.959 -27.029 -4.392 221 HG23 ILE 34 HG23 ILE 34 33.298 -25.908 -4.150 222 HD11 ILE 34 HD11 ILE 34 32.060 -29.008 -2.699 223 HD12 ILE 34 HD12 ILE 34 32.052 -30.566 -3.524 224 HD13 ILE 34 HD13 ILE 34 31.601 -29.104 -4.399 225 H TYR 35 HN TYR 35 35.090 -25.985 -6.741 226 HA TYR 35 HA TYR 35 33.257 -23.868 -6.640 227 HB2 TYR 35 HB2 TYR 35 35.999 -24.276 -7.511 228 HB3 TYR 35 HB1 TYR 35 35.151 -23.132 -8.551 229 HD1 TYR 35 HD2 TYR 35 36.039 -23.895 -5.021 230 HD2 TYR 35 HD1 TYR 35 34.552 -20.956 -7.777 231 HE1 TYR 35 HE2 TYR 35 36.238 -22.151 -3.268 232 HE2 TYR 35 HE1 TYR 35 34.752 -19.211 -6.025 233 HH TYR 35 HH TYR 35 35.932 -20.021 -2.754 234 H MET 36 HN MET 36 34.642 -25.339 -9.589 235 HA MET 36 HA MET 36 32.889 -24.128 -11.402 236 HB2 MET 36 HB2 MET 36 34.658 -26.530 -11.454 237 HB3 MET 36 HB1 MET 36 33.460 -26.358 -12.738 238 HG2 MET 36 HG2 MET 36 35.357 -24.134 -11.955 239 HG3 MET 36 HG1 MET 36 35.722 -25.303 -13.224 240 HE1 MET 36 HE1 MET 36 35.346 -22.004 -13.226 241 HE2 MET 36 HE2 MET 36 33.973 -22.176 -12.135 242 HE3 MET 36 HE3 MET 36 33.741 -21.451 -13.725 243 H LEU 37 HN LEU 37 32.733 -27.428 -10.043 244 HA LEU 37 HA LEU 37 30.383 -28.301 -11.171 245 HB2 LEU 37 HB2 LEU 37 31.934 -29.566 -9.595 246 HB3 LEU 37 HB1 LEU 37 31.068 -28.785 -8.271 247 HG LEU 37 HG LEU 37 28.960 -29.670 -9.697 248 HD11 LEU 37 HD11 LEU 37 30.592 -30.700 -11.359 249 HD12 LEU 37 HD12 LEU 37 29.391 -31.807 -10.695 250 HD13 LEU 37 HD13 LEU 37 31.046 -31.831 -10.083 251 HD21 LEU 37 HD21 LEU 37 29.206 -30.173 -7.369 252 HD22 LEU 37 HD22 LEU 37 30.650 -31.142 -7.662 253 HD23 LEU 37 HD23 LEU 37 29.073 -31.731 -8.186 254 H VAL 38 HN VAL 38 30.824 -25.997 -8.569 255 HA VAL 38 HA VAL 38 27.933 -25.852 -8.097 256 HB VAL 38 HB VAL 38 30.307 -24.596 -6.712 257 HG11 VAL 38 HG11 VAL 38 28.686 -22.924 -6.468 258 HG12 VAL 38 HG12 VAL 38 28.383 -23.937 -5.057 259 HG13 VAL 38 HG13 VAL 38 27.353 -24.077 -6.481 260 HG21 VAL 38 HG21 VAL 38 28.184 -26.541 -5.750 261 HG22 VAL 38 HG22 VAL 38 29.607 -26.009 -4.853 262 HG23 VAL 38 HG23 VAL 38 29.795 -27.015 -6.290 263 H PHE 39 HN PHE 39 30.271 -24.420 -10.052 264 HA PHE 39 HA PHE 39 29.030 -21.784 -10.125 265 HB2 PHE 39 HB2 PHE 39 31.560 -22.340 -10.405 266 HB3 PHE 39 HB1 PHE 39 31.113 -22.743 -12.064 267 HD1 PHE 39 HD2 PHE 39 30.071 -21.018 -13.537 268 HD2 PHE 39 HD1 PHE 39 31.595 -20.065 -9.635 269 HE1 PHE 39 HE2 PHE 39 30.060 -18.607 -14.121 270 HE2 PHE 39 HE1 PHE 39 31.584 -17.655 -10.219 271 HZ PHE 39 HZ PHE 39 30.816 -16.926 -12.461 272 H LEU 40 HN LEU 40 29.715 -24.345 -12.520 273 HA LEU 40 HA LEU 40 27.968 -23.253 -14.486 274 HB2 LEU 40 HB2 LEU 40 28.240 -25.533 -15.559 275 HB3 LEU 40 HB1 LEU 40 29.739 -24.660 -15.246 276 HG LEU 40 HG LEU 40 29.032 -26.206 -12.919 277 HD11 LEU 40 HD11 LEU 40 29.282 -27.775 -15.502 278 HD12 LEU 40 HD12 LEU 40 27.804 -27.616 -14.554 279 HD13 LEU 40 HD13 LEU 40 29.198 -28.456 -13.877 280 HD21 LEU 40 HD21 LEU 40 31.291 -25.357 -13.627 281 HD22 LEU 40 HD22 LEU 40 31.287 -26.558 -14.918 282 HD23 LEU 40 HD23 LEU 40 31.280 -27.076 -13.233 283 H LEU 41 HN LEU 41 27.207 -24.546 -11.584 284 HA LEU 41 HA LEU 41 24.604 -25.560 -12.563 285 HB2 LEU 41 HB2 LEU 41 26.175 -26.539 -10.166 286 HB3 LEU 41 HB1 LEU 41 24.569 -27.096 -10.631 287 HG LEU 41 HG LEU 41 27.064 -27.331 -12.344 288 HD11 LEU 41 HD11 LEU 41 27.421 -29.372 -11.441 289 HD12 LEU 41 HD12 LEU 41 25.709 -29.784 -11.504 290 HD13 LEU 41 HD13 LEU 41 26.344 -28.863 -10.142 291 HD21 LEU 41 HD21 LEU 41 24.160 -27.917 -12.777 292 HD22 LEU 41 HD22 LEU 41 25.342 -29.026 -13.473 293 HD23 LEU 41 HD23 LEU 41 25.365 -27.320 -13.918 294 H GLY 42 HN GLY 42 26.375 -23.609 -10.294 295 HA2 GLY 42 HA2 GLY 42 23.880 -22.848 -8.918 296 HA3 GLY 42 HA1 GLY 42 25.509 -22.548 -8.321 297 H THR 43 HN THR 43 25.697 -21.895 -11.508 298 HA THR 43 HA THR 43 24.668 -19.146 -11.316 299 HB THR 43 HB THR 43 27.392 -19.542 -12.479 300 HG1 THR 43 HG1 THR 43 28.167 -19.051 -10.310 301 HG21 THR 43 HG21 THR 43 27.655 -17.237 -11.764 302 HG22 THR 43 HG22 THR 43 26.141 -17.307 -10.860 303 HG23 THR 43 HG23 THR 43 26.122 -17.389 -12.622 304 H THR 44 HN THR 44 23.883 -21.589 -12.785 305 HA THR 44 HA THR 44 24.002 -20.446 -15.502 306 HB THR 44 HB THR 44 24.416 -23.353 -14.770 307 HG1 THR 44 HG1 THR 44 26.429 -23.013 -15.588 308 HG21 THR 44 HG21 THR 44 23.838 -21.956 -17.372 309 HG22 THR 44 HG22 THR 44 23.126 -23.436 -16.731 310 HG23 THR 44 HG23 THR 44 24.780 -23.447 -17.345 311 H GLY 45 HN GLY 45 22.457 -22.911 -13.441 312 HA2 GLY 45 HA2 GLY 45 19.950 -22.544 -14.946 313 HA3 GLY 45 HA1 GLY 45 20.324 -23.903 -13.890 314 H ASN 46 HN ASN 46 21.482 -21.515 -12.132 315 HA ASN 46 HA ASN 46 19.173 -21.389 -10.411 316 HB2 ASN 46 HB2 ASN 46 20.684 -20.883 -8.830 317 HB3 ASN 46 HB1 ASN 46 21.921 -21.153 -10.056 318 HD21 ASN 46 HD21 ASN 46 22.660 -19.201 -11.296 319 HD22 ASN 46 HD22 ASN 46 22.520 -17.666 -10.585 320 H GLY 47 HN GLY 47 21.031 -19.038 -12.333 321 HA2 GLY 47 HA2 GLY 47 19.385 -16.805 -11.697 322 HA3 GLY 47 HA1 GLY 47 20.523 -16.903 -13.037 323 H LEU 48 HN LEU 48 19.545 -18.939 -14.549 324 HA LEU 48 HA LEU 48 17.528 -17.752 -16.062 325 HB2 LEU 48 HB2 LEU 48 19.070 -19.561 -16.849 326 HB3 LEU 48 HB1 LEU 48 18.139 -20.713 -15.895 327 HG LEU 48 HG LEU 48 16.093 -20.080 -17.176 328 HD11 LEU 48 HD11 LEU 48 16.333 -17.967 -18.069 329 HD12 LEU 48 HD12 LEU 48 16.836 -18.914 -19.468 330 HD13 LEU 48 HD13 LEU 48 18.048 -18.188 -18.414 331 HD21 LEU 48 HD21 LEU 48 17.290 -22.034 -17.909 332 HD22 LEU 48 HD22 LEU 48 18.508 -21.053 -18.723 333 HD23 LEU 48 HD23 LEU 48 16.863 -21.120 -19.355 334 H VAL 49 HN VAL 49 17.293 -20.352 -13.642 335 HA VAL 49 HA VAL 49 14.523 -20.780 -13.849 336 HB VAL 49 HB VAL 49 16.532 -21.239 -11.657 337 HG11 VAL 49 HG11 VAL 49 13.536 -21.458 -11.568 338 HG12 VAL 49 HG12 VAL 49 14.647 -20.893 -10.320 339 HG13 VAL 49 HG13 VAL 49 14.520 -22.616 -10.673 340 HG21 VAL 49 HG21 VAL 49 16.055 -22.624 -13.914 341 HG22 VAL 49 HG22 VAL 49 14.819 -23.348 -12.886 342 HG23 VAL 49 HG23 VAL 49 16.515 -23.417 -12.407 343 H LEU 50 HN LEU 50 16.100 -19.214 -11.067 344 HA LEU 50 HA LEU 50 13.961 -18.024 -9.892 345 HB2 LEU 50 HB2 LEU 50 16.787 -17.046 -10.234 346 HB3 LEU 50 HB1 LEU 50 15.602 -16.106 -9.326 347 HG LEU 50 HG LEU 50 15.859 -19.023 -8.712 348 HD11 LEU 50 HD11 LEU 50 17.911 -16.907 -8.163 349 HD12 LEU 50 HD12 LEU 50 18.138 -18.616 -8.530 350 HD13 LEU 50 HD13 LEU 50 17.597 -18.124 -6.926 351 HD21 LEU 50 HD21 LEU 50 15.649 -16.783 -6.729 352 HD22 LEU 50 HD22 LEU 50 14.936 -18.394 -6.672 353 HD23 LEU 50 HD23 LEU 50 14.244 -17.161 -7.725 354 H TRP 51 HN TRP 51 15.439 -17.115 -12.912 355 HA TRP 51 HA TRP 51 14.093 -14.554 -13.070 356 HB2 TRP 51 HB2 TRP 51 16.233 -14.758 -14.164 357 HB3 TRP 51 HB1 TRP 51 15.682 -16.156 -15.085 358 HD1 TRP 51 HD1 TRP 51 15.408 -12.373 -14.912 359 HE1 TRP 51 HE1 TRP 51 14.278 -11.512 -17.064 360 HE3 TRP 51 HE3 TRP 51 13.992 -16.811 -17.002 361 HZ2 TRP 51 HZ2 TRP 51 12.951 -12.565 -19.367 362 HZ3 TRP 51 HZ3 TRP 51 12.796 -16.853 -19.173 363 HH2 TRP 51 HH2 TRP 51 12.276 -14.738 -20.356 364 H THR 52 HN THR 52 13.815 -17.708 -14.709 365 HA THR 52 HA THR 52 11.553 -17.000 -16.274 366 HB THR 52 HB THR 52 12.844 -19.588 -15.472 367 HG1 THR 52 HG1 THR 52 13.651 -19.332 -17.377 368 HG21 THR 52 HG21 THR 52 11.089 -20.609 -17.095 369 HG22 THR 52 HG22 THR 52 10.124 -19.187 -16.700 370 HG23 THR 52 HG23 THR 52 10.606 -20.307 -15.425 371 H VAL 53 HN VAL 53 11.906 -18.643 -13.148 372 HA VAL 53 HA VAL 53 9.206 -19.277 -12.732 373 HB VAL 53 HB VAL 53 11.518 -18.777 -10.875 374 HG11 VAL 53 HG11 VAL 53 9.847 -19.807 -9.146 375 HG12 VAL 53 HG12 VAL 53 8.606 -19.171 -10.226 376 HG13 VAL 53 HG13 VAL 53 9.769 -18.077 -9.477 377 HG21 VAL 53 HG21 VAL 53 11.423 -21.149 -10.567 378 HG22 VAL 53 HG22 VAL 53 11.251 -20.884 -12.301 379 HG23 VAL 53 HG23 VAL 53 9.831 -21.251 -11.322 380 H PHE 54 HN PHE 54 11.060 -16.395 -11.777 381 HA PHE 54 HA PHE 54 9.055 -15.055 -10.378 382 HB2 PHE 54 HB2 PHE 54 11.516 -14.242 -11.842 383 HB3 PHE 54 HB1 PHE 54 10.352 -12.975 -11.452 384 HD1 PHE 54 HD1 PHE 54 11.303 -16.095 -9.610 385 HD2 PHE 54 HD2 PHE 54 11.187 -11.802 -9.601 386 HE1 PHE 54 HE1 PHE 54 12.106 -16.079 -7.264 387 HE2 PHE 54 HE2 PHE 54 11.989 -11.786 -7.254 388 HZ PHE 54 HZ PHE 54 12.449 -13.924 -6.085 389 H ARG 55 HN ARG 55 9.409 -15.616 -13.775 390 HA ARG 55 HA ARG 55 7.367 -13.605 -14.428 391 HB2 ARG 55 HB2 ARG 55 9.429 -15.113 -15.971 392 HB3 ARG 55 HB1 ARG 55 7.961 -14.625 -16.819 393 HG2 ARG 55 HG2 ARG 55 8.444 -12.377 -16.652 394 HG3 ARG 55 HG1 ARG 55 9.290 -12.562 -15.117 395 HD2 ARG 55 HD2 ARG 55 10.500 -13.799 -17.559 396 HD3 ARG 55 HD1 ARG 55 10.624 -12.055 -17.351 397 HE ARG 55 HE ARG 55 12.088 -14.024 -15.898 398 HH11 ARG 55 HH21 ARG 55 10.477 -10.974 -15.631 399 HH12 ARG 55 HH22 ARG 55 11.442 -10.424 -14.301 400 HH21 ARG 55 HH11 ARG 55 13.351 -13.314 -14.148 401 HH22 ARG 55 HH12 ARG 55 13.070 -11.750 -13.461 402 H LYS 56 HN LYS 56 7.354 -16.634 -13.297 403 HA LYS 56 HA LYS 56 4.956 -17.389 -14.857 404 HB2 LYS 56 HB2 LYS 56 5.689 -19.523 -15.076 405 HB3 LYS 56 HB1 LYS 56 7.276 -18.813 -14.794 406 HG2 LYS 56 HG2 LYS 56 6.905 -19.227 -12.311 407 HG3 LYS 56 HG1 LYS 56 5.467 -20.151 -12.753 408 HD2 LYS 56 HD2 LYS 56 8.082 -20.816 -14.074 409 HD3 LYS 56 HD1 LYS 56 7.769 -21.386 -12.437 410 HE2 LYS 56 HE2 LYS 56 5.936 -21.843 -14.807 411 HE3 LYS 56 HE1 LYS 56 7.054 -23.038 -14.148 412 HZ1 LYS 56 HZ1 LYS 56 4.475 -22.564 -13.324 413 HZ2 LYS 56 HZ2 LYS 56 5.448 -21.895 -12.102 414 HZ3 LYS 56 HZ3 LYS 56 5.631 -23.527 -12.540 415 H LYS 57 HN LYS 57 6.417 -16.841 -11.782 416 HA LYS 57 HA LYS 57 4.216 -18.029 -10.285 417 HB2 LYS 57 HB2 LYS 57 6.915 -17.406 -9.729 418 HB3 LYS 57 HB1 LYS 57 5.943 -16.360 -8.694 419 HG2 LYS 57 HG2 LYS 57 6.310 -18.431 -7.504 420 HG3 LYS 57 HG1 LYS 57 4.621 -18.400 -8.013 421 HD2 LYS 57 HD2 LYS 57 6.008 -19.542 -10.170 422 HD3 LYS 57 HD1 LYS 57 6.715 -20.279 -8.732 423 HE2 LYS 57 HE2 LYS 57 3.758 -20.154 -9.399 424 HE3 LYS 57 HE1 LYS 57 4.780 -21.589 -9.476 425 HZ1 LYS 57 HZ1 LYS 57 4.931 -20.246 -6.950 426 HZ2 LYS 57 HZ2 LYS 57 4.637 -21.884 -7.291 427 HZ3 LYS 57 HZ3 LYS 57 3.357 -20.766 -7.313 428 H GLY 58 HN GLY 58 5.390 -14.882 -11.298 429 HA2 GLY 58 HA2 GLY 58 3.517 -13.397 -9.674 430 HA3 GLY 58 HA1 GLY 58 4.578 -12.742 -10.918 431 H HIS 59 HN HIS 59 3.647 -14.686 -12.927 432 HA HIS 59 HA HIS 59 1.588 -13.165 -14.097 433 HB2 HIS 59 HB2 HIS 59 2.300 -14.359 -15.851 434 HB3 HIS 59 HB1 HIS 59 3.173 -15.459 -14.784 435 HD2 HIS 59 HD2 HIS 59 1.845 -17.895 -14.243 436 HE1 HIS 59 HE1 HIS 59 -1.550 -17.121 -16.630 437 HE2 HIS 59 HE2 HIS 59 -0.338 -18.892 -15.274 438 H HIS 60 HN HIS 60 1.477 -15.427 -11.590 439 HA HIS 60 HA HIS 60 -1.455 -15.538 -11.788 440 HB2 HIS 60 HB2 HIS 60 -0.396 -17.673 -12.678 441 HB3 HIS 60 HB1 HIS 60 0.187 -17.959 -11.038 442 HD2 HIS 60 HD2 HIS 60 -3.021 -16.482 -10.183 443 HE1 HIS 60 HE1 HIS 60 -4.109 -20.435 -11.187 444 HE2 HIS 60 HE2 HIS 60 -4.886 -18.304 -10.046 445 H HIS 61 HN HIS 61 -1.222 -13.855 -10.149 446 HA HIS 61 HA HIS 61 -0.081 -14.580 -7.585 447 HB2 HIS 61 HB2 HIS 61 -0.428 -12.195 -8.815 448 HB3 HIS 61 HB1 HIS 61 -1.859 -12.222 -7.783 449 HD2 HIS 61 HD2 HIS 61 1.623 -11.002 -7.419 450 HE1 HIS 61 HE1 HIS 61 0.667 -12.437 -3.565 451 HE2 HIS 61 HE2 HIS 61 2.310 -11.034 -4.899 452 H HIS 62 HN HIS 62 -2.204 -16.287 -8.551 453 HA HIS 62 HA HIS 62 -3.921 -17.455 -7.534 454 HB2 HIS 62 HB2 HIS 62 -2.813 -16.287 -5.399 455 HB3 HIS 62 HB1 HIS 62 -4.335 -15.395 -5.424 456 HD2 HIS 62 HD2 HIS 62 -3.240 -19.225 -5.330 457 HE1 HIS 62 HE1 HIS 62 -7.085 -18.837 -3.629 458 HE2 HIS 62 HE2 HIS 62 -5.200 -20.463 -4.126 459 H HIS 63 HN HIS 63 -4.563 -13.991 -6.929 460 HA HIS 63 HA HIS 63 -7.296 -14.240 -7.796 461 HB2 HIS 63 HB2 HIS 63 -5.578 -11.866 -7.056 462 HB3 HIS 63 HB1 HIS 63 -7.269 -11.723 -7.536 463 HD2 HIS 63 HD2 HIS 63 -6.878 -14.900 -5.492 464 HE1 HIS 63 HE1 HIS 63 -7.976 -11.909 -2.723 465 HE2 HIS 63 HE2 HIS 63 -7.698 -14.410 -3.062 466 H HIS 64 HN HIS 64 -5.596 -15.122 -9.825 467 HA HIS 64 HA HIS 64 -4.727 -13.437 -11.779 468 HB2 HIS 64 HB2 HIS 64 -4.716 -15.272 -13.103 469 HB3 HIS 64 HB1 HIS 64 -5.257 -16.122 -11.655 470 HD2 HIS 64 HD2 HIS 64 -6.675 -14.996 -15.112 471 HE1 HIS 64 HE1 HIS 64 -9.800 -16.909 -13.014 472 HE2 HIS 64 HE2 HIS 64 -9.102 -15.946 -15.259 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 42.846 -5.305 -11.813 2 H2 MET 1 HT2 MET 1 42.945 -6.825 -11.059 3 H3 MET 1 HT3 MET 1 44.123 -5.641 -10.748 4 HA MET 1 HA MET 1 42.525 -4.250 -9.642 5 HB2 MET 1 HB2 MET 1 40.300 -5.872 -9.283 6 HB3 MET 1 HB1 MET 1 40.394 -4.482 -10.365 7 HG2 MET 1 HG2 MET 1 41.063 -5.897 -12.218 8 HG3 MET 1 HG1 MET 1 41.177 -7.301 -11.156 9 HE1 MET 1 HE1 MET 1 37.946 -6.867 -13.801 10 HE2 MET 1 HE2 MET 1 39.686 -7.148 -13.827 11 HE3 MET 1 HE3 MET 1 39.069 -5.506 -13.665 12 H GLU 2 HN GLU 2 41.951 -7.770 -9.377 13 HA GLU 2 HA GLU 2 42.114 -9.178 -7.555 14 HB2 GLU 2 HB2 GLU 2 44.673 -7.585 -7.270 15 HB3 GLU 2 HB1 GLU 2 44.340 -9.116 -6.460 16 HG2 GLU 2 HG2 GLU 2 43.926 -10.117 -8.754 17 HG3 GLU 2 HG1 GLU 2 44.561 -8.622 -9.437 18 H GLU 3 HN GLU 3 40.290 -7.471 -6.842 19 HA GLU 3 HA GLU 3 39.305 -6.288 -5.126 20 HB2 GLU 3 HB2 GLU 3 41.188 -8.078 -3.571 21 HB3 GLU 3 HB1 GLU 3 39.866 -7.155 -2.855 22 HG2 GLU 3 HG2 GLU 3 38.228 -8.358 -4.161 23 HG3 GLU 3 HG1 GLU 3 39.490 -9.157 -5.096 24 H GLY 4 HN GLY 4 40.519 -4.379 -6.026 25 HA2 GLY 4 HA2 GLY 4 41.637 -2.863 -3.905 26 HA3 GLY 4 HA1 GLY 4 42.916 -3.399 -4.991 27 H GLY 5 HN GLY 5 39.568 -2.305 -5.559 28 HA2 GLY 5 HA2 GLY 5 40.597 -0.462 -7.617 29 HA3 GLY 5 HA1 GLY 5 38.944 -1.062 -7.512 30 H ASP 6 HN ASP 6 41.289 1.150 -6.094 31 HA ASP 6 HA ASP 6 39.066 2.850 -5.198 32 HB2 ASP 6 HB2 ASP 6 41.346 1.878 -3.473 33 HB3 ASP 6 HB1 ASP 6 40.383 3.298 -3.072 34 H PHE 7 HN PHE 7 40.638 3.180 -7.481 35 HA PHE 7 HA PHE 7 42.032 4.664 -8.559 36 HB2 PHE 7 HB2 PHE 7 41.504 6.693 -6.435 37 HB3 PHE 7 HB1 PHE 7 41.468 6.867 -8.189 38 HD1 PHE 7 HD1 PHE 7 39.724 4.667 -9.032 39 HD2 PHE 7 HD2 PHE 7 39.369 7.319 -5.671 40 HE1 PHE 7 HE1 PHE 7 37.269 4.320 -9.018 41 HE2 PHE 7 HE2 PHE 7 36.913 6.971 -5.657 42 HZ PHE 7 HZ PHE 7 35.863 5.471 -7.331 43 H ASP 8 HN ASP 8 43.464 2.956 -6.951 44 HA ASP 8 HA ASP 8 45.676 4.701 -6.100 45 HB2 ASP 8 HB2 ASP 8 44.232 2.675 -4.453 46 HB3 ASP 8 HB1 ASP 8 45.978 2.811 -4.257 47 H ASN 9 HN ASN 9 44.803 2.602 -8.280 48 HA ASN 9 HA ASN 9 46.390 0.351 -8.220 49 HB2 ASN 9 HB2 ASN 9 46.516 0.663 -10.761 50 HB3 ASN 9 HB1 ASN 9 44.907 0.577 -10.046 51 HD21 ASN 9 HD21 ASN 9 46.485 2.237 -12.371 52 HD22 ASN 9 HD22 ASN 9 45.729 3.751 -12.235 53 H TYR 10 HN TYR 10 48.382 -0.014 -9.633 54 HA TYR 10 HA TYR 10 50.629 0.295 -9.936 55 HB2 TYR 10 HB2 TYR 10 49.502 2.257 -11.254 56 HB3 TYR 10 HB1 TYR 10 50.208 3.256 -9.983 57 HD1 TYR 10 HD2 TYR 10 50.978 0.799 -12.661 58 HD2 TYR 10 HD1 TYR 10 52.570 3.646 -9.867 59 HE1 TYR 10 HE2 TYR 10 53.190 0.655 -13.774 60 HE2 TYR 10 HE1 TYR 10 54.782 3.502 -10.980 61 HH TYR 10 HH TYR 10 55.690 1.095 -12.956 62 H TYR 11 HN TYR 11 52.456 0.559 -8.710 63 HA TYR 11 HA TYR 11 53.562 0.674 -6.679 64 HB2 TYR 11 HB2 TYR 11 53.576 3.046 -7.812 65 HB3 TYR 11 HB1 TYR 11 52.533 3.479 -6.458 66 HD1 TYR 11 HD2 TYR 11 55.850 2.054 -7.355 67 HD2 TYR 11 HD1 TYR 11 53.403 3.735 -4.252 68 HE1 TYR 11 HE2 TYR 11 57.834 2.206 -5.873 69 HE2 TYR 11 HE1 TYR 11 55.386 3.888 -2.770 70 HH TYR 11 HH TYR 11 58.145 2.248 -3.221 71 H GLY 12 HN GLY 12 50.986 -0.423 -6.391 72 HA2 GLY 12 HA2 GLY 12 50.559 -0.637 -3.740 73 HA3 GLY 12 HA1 GLY 12 49.691 0.847 -4.124 74 H ALA 13 HN ALA 13 50.002 -1.825 -6.369 75 HA ALA 13 HA ALA 13 47.154 -2.508 -5.942 76 HB1 ALA 13 HB1 ALA 13 48.017 -2.902 -8.680 77 HB2 ALA 13 HB2 ALA 13 48.215 -1.220 -8.189 78 HB3 ALA 13 HB3 ALA 13 46.636 -1.994 -8.064 79 H ASP 14 HN ASP 14 50.392 -3.531 -6.748 80 HA ASP 14 HA ASP 14 49.508 -6.328 -6.978 81 HB2 ASP 14 HB2 ASP 14 52.203 -5.064 -7.530 82 HB3 ASP 14 HB1 ASP 14 51.798 -6.761 -7.784 83 H ASN 15 HN ASN 15 51.018 -4.111 -4.830 84 HA ASN 15 HA ASN 15 52.652 -5.791 -3.300 85 HB2 ASN 15 HB2 ASN 15 52.794 -3.464 -2.880 86 HB3 ASN 15 HB1 ASN 15 51.058 -3.327 -2.605 87 HD21 ASN 15 HD21 ASN 15 54.116 -4.294 -1.132 88 HD22 ASN 15 HD22 ASN 15 53.496 -4.517 0.432 89 H GLN 16 HN GLN 16 49.218 -5.639 -3.569 90 HA GLN 16 HA GLN 16 48.849 -7.210 -1.109 91 HB2 GLN 16 HB2 GLN 16 46.465 -6.768 -1.407 92 HB3 GLN 16 HB1 GLN 16 47.372 -5.256 -1.466 93 HG2 GLN 16 HG2 GLN 16 47.436 -5.766 -4.060 94 HG3 GLN 16 HG1 GLN 16 46.014 -6.739 -3.687 95 HE21 GLN 16 HE21 GLN 16 44.178 -5.560 -2.568 96 HE22 GLN 16 HE22 GLN 16 43.983 -3.901 -2.861 97 H SER 17 HN SER 17 49.603 -7.803 -4.221 98 HA SER 17 HA SER 17 47.820 -10.118 -4.541 99 HB2 SER 17 HB2 SER 17 48.394 -10.119 -6.812 100 HB3 SER 17 HB1 SER 17 48.362 -8.403 -6.413 101 HG SER 17 HG SER 17 50.355 -9.759 -7.419 102 H GLU 18 HN GLU 18 51.289 -9.306 -4.553 103 HA GLU 18 HA GLU 18 52.337 -11.865 -4.830 104 HB2 GLU 18 HB2 GLU 18 53.481 -9.678 -3.079 105 HB3 GLU 18 HB1 GLU 18 54.365 -10.997 -3.846 106 HG2 GLU 18 HG2 GLU 18 53.669 -10.122 -6.074 107 HG3 GLU 18 HG1 GLU 18 52.896 -8.759 -5.267 108 H CYS 19 HN CYS 19 50.575 -10.526 -2.221 109 HA CYS 19 HA CYS 19 51.612 -12.389 -0.236 110 HB2 CYS 19 HB2 CYS 19 49.304 -10.437 -0.066 111 HB3 CYS 19 HB1 CYS 19 50.022 -11.317 1.283 112 HG CYS 19 HG CYS 19 51.770 -9.577 1.409 113 H GLU 20 HN GLU 20 48.872 -12.041 -2.381 114 HA GLU 20 HA GLU 20 47.467 -14.291 -1.150 115 HB2 GLU 20 HB2 GLU 20 45.955 -12.624 -1.807 116 HB3 GLU 20 HB1 GLU 20 46.804 -12.320 -3.323 117 HG2 GLU 20 HG2 GLU 20 45.969 -14.268 -4.331 118 HG3 GLU 20 HG1 GLU 20 45.586 -15.018 -2.783 119 H TYR 21 HN TYR 21 49.466 -13.547 -3.908 120 HA TYR 21 HA TYR 21 48.865 -15.610 -5.658 121 HB2 TYR 21 HB2 TYR 21 50.442 -13.913 -6.299 122 HB3 TYR 21 HB1 TYR 21 51.532 -14.356 -4.984 123 HD1 TYR 21 HD1 TYR 21 52.755 -16.516 -5.033 124 HD2 TYR 21 HD2 TYR 21 50.337 -15.206 -8.333 125 HE1 TYR 21 HE1 TYR 21 53.844 -18.195 -6.498 126 HE2 TYR 21 HE2 TYR 21 51.426 -16.883 -9.798 127 HH TYR 21 HH TYR 21 54.162 -18.806 -8.672 128 H THR 22 HN THR 22 50.630 -15.696 -2.633 129 HA THR 22 HA THR 22 51.578 -18.407 -3.036 130 HB THR 22 HB THR 22 52.211 -18.122 -0.554 131 HG1 THR 22 HG1 THR 22 50.729 -15.957 -0.960 132 HG21 THR 22 HG21 THR 22 53.792 -17.875 -2.439 133 HG22 THR 22 HG22 THR 22 54.140 -16.720 -1.153 134 HG23 THR 22 HG23 THR 22 53.309 -16.188 -2.614 135 H ASP 23 HN ASP 23 48.689 -16.954 -2.049 136 HA ASP 23 HA ASP 23 47.888 -19.248 -0.392 137 HB2 ASP 23 HB2 ASP 23 47.310 -16.478 -0.307 138 HB3 ASP 23 HB1 ASP 23 45.807 -17.299 -0.724 139 H TRP 24 HN TRP 24 46.893 -17.442 -3.286 140 HA TRP 24 HA TRP 24 44.634 -18.944 -3.961 141 HB2 TRP 24 HB2 TRP 24 44.735 -17.156 -5.360 142 HB3 TRP 24 HB1 TRP 24 46.498 -17.143 -5.380 143 HD1 TRP 24 HD1 TRP 24 43.495 -18.866 -7.018 144 HE1 TRP 24 HE1 TRP 24 44.267 -19.940 -9.231 145 HE3 TRP 24 HE3 TRP 24 48.525 -18.055 -6.682 146 HZ2 TRP 24 HZ2 TRP 24 46.698 -20.395 -10.668 147 HZ3 TRP 24 HZ3 TRP 24 50.044 -18.818 -8.486 148 HH2 TRP 24 HH2 TRP 24 49.138 -19.986 -10.476 149 H LYS 25 HN LYS 25 48.027 -19.398 -4.949 150 HA LYS 25 HA LYS 25 47.683 -21.611 -6.611 151 HB2 LYS 25 HB2 LYS 25 49.807 -20.336 -6.331 152 HB3 LYS 25 HB1 LYS 25 50.020 -21.101 -4.756 153 HG2 LYS 25 HG2 LYS 25 50.097 -23.305 -5.777 154 HG3 LYS 25 HG1 LYS 25 49.720 -22.624 -7.360 155 HD2 LYS 25 HD2 LYS 25 51.822 -21.294 -7.257 156 HD3 LYS 25 HD1 LYS 25 52.213 -22.075 -5.724 157 HE2 LYS 25 HE2 LYS 25 53.360 -23.219 -7.568 158 HE3 LYS 25 HE1 LYS 25 52.150 -24.284 -6.851 159 HZ1 LYS 25 HZ1 LYS 25 52.265 -24.013 -9.407 160 HZ2 LYS 25 HZ2 LYS 25 51.418 -22.568 -9.125 161 HZ3 LYS 25 HZ3 LYS 25 50.752 -24.054 -8.641 162 H SER 26 HN SER 26 47.379 -21.352 -3.193 163 HA SER 26 HA SER 26 47.612 -24.252 -2.806 164 HB2 SER 26 HB2 SER 26 47.293 -21.950 -0.874 165 HB3 SER 26 HB1 SER 26 47.265 -23.642 -0.382 166 HG SER 26 HG SER 26 49.357 -22.327 -1.791 167 H SER 27 HN SER 27 45.272 -21.620 -2.253 168 HA SER 27 HA SER 27 43.135 -23.638 -2.010 169 HB2 SER 27 HB2 SER 27 42.609 -20.757 -1.496 170 HB3 SER 27 HB1 SER 27 41.987 -22.181 -0.668 171 HG SER 27 HG SER 27 44.271 -22.430 0.048 172 H GLY 28 HN GLY 28 44.336 -22.893 -4.564 173 HA2 GLY 28 HA2 GLY 28 41.879 -21.971 -5.904 174 HA3 GLY 28 HA1 GLY 28 43.413 -21.201 -6.297 175 H ALA 29 HN ALA 29 43.748 -24.471 -5.487 176 HA ALA 29 HA ALA 29 43.928 -25.212 -8.346 177 HB1 ALA 29 HB1 ALA 29 45.628 -25.848 -5.975 178 HB2 ALA 29 HB2 ALA 29 46.106 -25.452 -7.626 179 HB3 ALA 29 HB3 ALA 29 45.478 -27.057 -7.250 180 H LEU 30 HN LEU 30 42.437 -25.870 -5.336 181 HA LEU 30 HA LEU 30 41.172 -28.278 -6.493 182 HB2 LEU 30 HB2 LEU 30 41.048 -29.062 -4.034 183 HB3 LEU 30 HB1 LEU 30 42.589 -29.213 -4.879 184 HG LEU 30 HG LEU 30 42.136 -26.621 -3.516 185 HD11 LEU 30 HD11 LEU 30 42.630 -29.186 -1.969 186 HD12 LEU 30 HD12 LEU 30 41.182 -28.185 -1.865 187 HD13 LEU 30 HD13 LEU 30 42.731 -27.556 -1.303 188 HD21 LEU 30 HD21 LEU 30 44.439 -28.600 -3.568 189 HD22 LEU 30 HD22 LEU 30 44.511 -26.946 -2.963 190 HD23 LEU 30 HD23 LEU 30 44.241 -27.245 -4.679 191 H ILE 31 HN ILE 31 40.826 -25.247 -4.944 192 HA ILE 31 HA ILE 31 38.183 -25.739 -3.891 193 HB ILE 31 HB ILE 31 39.400 -23.022 -4.354 194 HG12 ILE 31 HG12 ILE 31 41.135 -24.271 -3.236 195 HG13 ILE 31 HG11 ILE 31 40.316 -23.308 -2.006 196 HG21 ILE 31 HG21 ILE 31 36.962 -23.804 -3.378 197 HG22 ILE 31 HG22 ILE 31 37.762 -22.288 -2.967 198 HG23 ILE 31 HG23 ILE 31 37.912 -23.682 -1.898 199 HD11 ILE 31 HD11 ILE 31 38.838 -25.375 -1.608 200 HD12 ILE 31 HD12 ILE 31 40.508 -25.476 -1.052 201 HD13 ILE 31 HD13 ILE 31 40.030 -26.265 -2.554 202 HA PRO 32 HA PRO 32 37.182 -23.060 -7.880 203 HB2 PRO 32 HB2 PRO 32 38.945 -24.474 -9.795 204 HB3 PRO 32 HB1 PRO 32 38.598 -22.742 -9.648 205 HG2 PRO 32 HG2 PRO 32 40.950 -23.787 -8.922 206 HG3 PRO 32 HG1 PRO 32 40.223 -22.411 -8.074 207 HD2 PRO 32 HD2 PRO 32 40.370 -25.280 -7.233 208 HD3 PRO 32 HD1 PRO 32 40.464 -23.808 -6.244 209 H ALA 33 HN ALA 33 38.086 -26.454 -7.818 210 HA ALA 33 HA ALA 33 36.425 -27.491 -9.798 211 HB1 ALA 33 HB1 ALA 33 36.612 -29.602 -8.667 212 HB2 ALA 33 HB2 ALA 33 36.982 -28.810 -7.135 213 HB3 ALA 33 HB3 ALA 33 38.145 -28.756 -8.459 214 H ILE 34 HN ILE 34 35.657 -27.698 -6.322 215 HA ILE 34 HA ILE 34 32.981 -28.311 -6.550 216 HB ILE 34 HB ILE 34 34.586 -26.870 -4.471 217 HG12 ILE 34 HG12 ILE 34 34.324 -29.463 -4.956 218 HG13 ILE 34 HG11 ILE 34 34.378 -28.864 -3.299 219 HG21 ILE 34 HG21 ILE 34 31.577 -27.064 -4.615 220 HG22 ILE 34 HG22 ILE 34 32.572 -25.668 -4.199 221 HG23 ILE 34 HG23 ILE 34 32.413 -27.005 -3.063 222 HD11 ILE 34 HD11 ILE 34 32.485 -30.521 -3.921 223 HD12 ILE 34 HD12 ILE 34 31.752 -29.156 -4.759 224 HD13 ILE 34 HD13 ILE 34 32.041 -29.072 -3.022 225 H TYR 35 HN TYR 35 34.482 -25.097 -6.522 226 HA TYR 35 HA TYR 35 32.143 -23.554 -6.541 227 HB2 TYR 35 HB2 TYR 35 34.977 -23.143 -7.075 228 HB3 TYR 35 HB1 TYR 35 33.954 -22.147 -8.112 229 HD1 TYR 35 HD1 TYR 35 34.759 -23.003 -4.594 230 HD2 TYR 35 HD2 TYR 35 32.618 -20.359 -7.218 231 HE1 TYR 35 HE1 TYR 35 34.300 -21.483 -2.689 232 HE2 TYR 35 HE2 TYR 35 32.159 -18.840 -5.312 233 HH TYR 35 HH TYR 35 32.439 -19.707 -2.163 234 H MET 36 HN MET 36 34.196 -24.358 -9.354 235 HA MET 36 HA MET 36 32.447 -23.453 -11.328 236 HB2 MET 36 HB2 MET 36 34.761 -25.293 -11.220 237 HB3 MET 36 HB1 MET 36 33.682 -25.504 -12.599 238 HG2 MET 36 HG2 MET 36 35.567 -23.836 -12.952 239 HG3 MET 36 HG1 MET 36 33.948 -23.215 -13.268 240 HE1 MET 36 HE1 MET 36 32.912 -21.355 -12.276 241 HE2 MET 36 HE2 MET 36 34.384 -20.725 -13.014 242 HE3 MET 36 HE3 MET 36 33.865 -20.119 -11.444 243 H LEU 37 HN LEU 37 32.913 -26.828 -10.255 244 HA LEU 37 HA LEU 37 30.943 -28.072 -11.701 245 HB2 LEU 37 HB2 LEU 37 32.575 -29.113 -10.040 246 HB3 LEU 37 HB1 LEU 37 31.416 -28.681 -8.783 247 HG LEU 37 HG LEU 37 29.740 -29.862 -10.540 248 HD11 LEU 37 HD11 LEU 37 31.612 -30.384 -12.094 249 HD12 LEU 37 HD12 LEU 37 30.824 -31.843 -11.492 250 HD13 LEU 37 HD13 LEU 37 32.375 -31.338 -10.823 251 HD21 LEU 37 HD21 LEU 37 31.437 -31.002 -8.324 252 HD22 LEU 37 HD22 LEU 37 30.271 -32.018 -9.170 253 HD23 LEU 37 HD23 LEU 37 29.723 -30.586 -8.299 254 H VAL 38 HN VAL 38 30.587 -26.033 -8.867 255 HA VAL 38 HA VAL 38 27.706 -26.555 -8.744 256 HB VAL 38 HB VAL 38 29.550 -24.897 -7.012 257 HG11 VAL 38 HG11 VAL 38 27.334 -25.050 -5.546 258 HG12 VAL 38 HG12 VAL 38 26.571 -25.155 -7.132 259 HG13 VAL 38 HG13 VAL 38 27.557 -23.753 -6.719 260 HG21 VAL 38 HG21 VAL 38 29.604 -27.458 -6.925 261 HG22 VAL 38 HG22 VAL 38 27.951 -27.370 -6.316 262 HG23 VAL 38 HG23 VAL 38 29.268 -26.638 -5.400 263 H PHE 39 HN PHE 39 29.864 -24.424 -10.246 264 HA PHE 39 HA PHE 39 28.132 -22.107 -10.263 265 HB2 PHE 39 HB2 PHE 39 30.707 -22.140 -10.458 266 HB3 PHE 39 HB1 PHE 39 30.433 -22.572 -12.146 267 HD1 PHE 39 HD1 PHE 39 29.391 -20.068 -9.560 268 HD2 PHE 39 HD2 PHE 39 30.026 -20.890 -13.729 269 HE1 PHE 39 HE1 PHE 39 28.944 -17.689 -10.097 270 HE2 PHE 39 HE2 PHE 39 29.578 -18.510 -14.265 271 HZ PHE 39 HZ PHE 39 29.037 -16.911 -12.450 272 H LEU 40 HN LEU 40 29.188 -24.516 -12.673 273 HA LEU 40 HA LEU 40 27.334 -23.533 -14.654 274 HB2 LEU 40 HB2 LEU 40 28.060 -25.666 -15.867 275 HB3 LEU 40 HB1 LEU 40 29.316 -24.473 -15.540 276 HG LEU 40 HG LEU 40 28.997 -26.326 -13.312 277 HD11 LEU 40 HD11 LEU 40 28.318 -27.876 -15.116 278 HD12 LEU 40 HD12 LEU 40 29.898 -28.309 -14.463 279 HD13 LEU 40 HD13 LEU 40 29.783 -27.470 -16.011 280 HD21 LEU 40 HD21 LEU 40 31.355 -25.864 -15.159 281 HD22 LEU 40 HD22 LEU 40 31.396 -26.412 -13.484 282 HD23 LEU 40 HD23 LEU 40 30.924 -24.755 -13.858 283 H LEU 41 HN LEU 41 26.905 -25.282 -11.893 284 HA LEU 41 HA LEU 41 24.515 -26.643 -12.991 285 HB2 LEU 41 HB2 LEU 41 26.300 -27.605 -10.742 286 HB3 LEU 41 HB1 LEU 41 24.828 -28.399 -11.294 287 HG LEU 41 HG LEU 41 27.278 -27.892 -13.011 288 HD11 LEU 41 HD11 LEU 41 28.109 -29.828 -12.228 289 HD12 LEU 41 HD12 LEU 41 26.605 -30.663 -12.614 290 HD13 LEU 41 HD13 LEU 41 26.800 -29.877 -11.047 291 HD21 LEU 41 HD21 LEU 41 25.562 -28.034 -14.566 292 HD22 LEU 41 HD22 LEU 41 24.550 -29.023 -13.516 293 HD23 LEU 41 HD23 LEU 41 25.919 -29.747 -14.356 294 H GLY 42 HN GLY 42 25.565 -24.161 -11.136 295 HA2 GLY 42 HA2 GLY 42 23.104 -24.203 -9.502 296 HA3 GLY 42 HA1 GLY 42 24.649 -23.780 -8.772 297 H THR 43 HN THR 43 24.566 -22.753 -11.961 298 HA THR 43 HA THR 43 23.270 -20.195 -11.420 299 HB THR 43 HB THR 43 26.101 -20.123 -12.421 300 HG1 THR 43 HG1 THR 43 25.438 -19.717 -9.722 301 HG21 THR 43 HG21 THR 43 25.910 -17.862 -12.102 302 HG22 THR 43 HG22 THR 43 24.868 -18.045 -10.690 303 HG23 THR 43 HG23 THR 43 24.195 -18.221 -12.312 304 H THR 44 HN THR 44 23.226 -22.636 -13.286 305 HA THR 44 HA THR 44 23.092 -21.084 -15.801 306 HB THR 44 HB THR 44 23.868 -23.999 -15.652 307 HG1 THR 44 HG1 THR 44 25.682 -21.936 -16.189 308 HG21 THR 44 HG21 THR 44 24.646 -22.180 -17.868 309 HG22 THR 44 HG22 THR 44 22.933 -22.584 -17.750 310 HG23 THR 44 HG23 THR 44 24.132 -23.867 -17.922 311 H GLY 45 HN GLY 45 22.027 -24.038 -14.128 312 HA2 GLY 45 HA2 GLY 45 19.504 -23.941 -15.663 313 HA3 GLY 45 HA1 GLY 45 20.162 -25.379 -14.888 314 H ASN 46 HN ASN 46 20.829 -23.152 -12.693 315 HA ASN 46 HA ASN 46 18.299 -23.584 -11.241 316 HB2 ASN 46 HB2 ASN 46 21.103 -22.999 -10.274 317 HB3 ASN 46 HB1 ASN 46 19.691 -23.037 -9.218 318 HD21 ASN 46 HD21 ASN 46 21.584 -25.077 -11.481 319 HD22 ASN 46 HD22 ASN 46 21.124 -26.551 -10.775 320 H GLY 47 HN GLY 47 20.560 -21.140 -12.341 321 HA2 GLY 47 HA2 GLY 47 19.247 -18.976 -10.937 322 HA3 GLY 47 HA1 GLY 47 20.545 -18.825 -12.118 323 H LEU 48 HN LEU 48 19.495 -20.066 -14.321 324 HA LEU 48 HA LEU 48 17.900 -18.080 -15.482 325 HB2 LEU 48 HB2 LEU 48 19.301 -19.734 -16.734 326 HB3 LEU 48 HB1 LEU 48 18.111 -20.975 -16.345 327 HG LEU 48 HG LEU 48 16.359 -19.613 -17.485 328 HD11 LEU 48 HD11 LEU 48 17.549 -17.862 -19.122 329 HD12 LEU 48 HD12 LEU 48 18.681 -17.755 -17.776 330 HD13 LEU 48 HD13 LEU 48 16.975 -17.390 -17.523 331 HD21 LEU 48 HD21 LEU 48 17.971 -19.719 -19.781 332 HD22 LEU 48 HD22 LEU 48 16.930 -21.002 -19.167 333 HD23 LEU 48 HD23 LEU 48 18.631 -20.950 -18.704 334 H VAL 49 HN VAL 49 16.990 -21.300 -14.257 335 HA VAL 49 HA VAL 49 14.240 -21.109 -14.824 336 HB VAL 49 HB VAL 49 15.859 -22.728 -12.876 337 HG11 VAL 49 HG11 VAL 49 13.572 -23.964 -12.579 338 HG12 VAL 49 HG12 VAL 49 12.870 -22.414 -13.040 339 HG13 VAL 49 HG13 VAL 49 13.895 -22.527 -11.610 340 HG21 VAL 49 HG21 VAL 49 15.804 -23.268 -15.327 341 HG22 VAL 49 HG22 VAL 49 14.058 -23.489 -15.198 342 HG23 VAL 49 HG23 VAL 49 15.150 -24.558 -14.318 343 H LEU 50 HN LEU 50 15.679 -20.964 -11.565 344 HA LEU 50 HA LEU 50 13.547 -19.932 -10.187 345 HB2 LEU 50 HB2 LEU 50 16.481 -19.278 -9.818 346 HB3 LEU 50 HB1 LEU 50 15.225 -18.932 -8.631 347 HG LEU 50 HG LEU 50 15.856 -21.696 -9.716 348 HD11 LEU 50 HD11 LEU 50 16.384 -21.485 -6.937 349 HD12 LEU 50 HD12 LEU 50 17.170 -20.107 -7.709 350 HD13 LEU 50 HD13 LEU 50 17.547 -21.747 -8.236 351 HD21 LEU 50 HD21 LEU 50 13.820 -20.582 -7.827 352 HD22 LEU 50 HD22 LEU 50 14.531 -22.144 -7.429 353 HD23 LEU 50 HD23 LEU 50 13.685 -21.926 -8.960 354 H TRP 51 HN TRP 51 15.614 -18.292 -12.452 355 HA TRP 51 HA TRP 51 14.764 -15.635 -11.677 356 HB2 TRP 51 HB2 TRP 51 16.977 -15.865 -12.600 357 HB3 TRP 51 HB1 TRP 51 16.348 -16.671 -14.037 358 HD1 TRP 51 HD1 TRP 51 16.699 -13.257 -12.414 359 HE1 TRP 51 HE1 TRP 51 16.063 -11.440 -14.130 360 HE3 TRP 51 HE3 TRP 51 14.863 -16.190 -16.171 361 HZ2 TRP 51 HZ2 TRP 51 14.929 -11.254 -16.749 362 HZ3 TRP 51 HZ3 TRP 51 14.013 -15.168 -18.263 363 HH2 TRP 51 HH2 TRP 51 14.043 -12.706 -18.555 364 H THR 52 HN THR 52 14.197 -17.807 -14.441 365 HA THR 52 HA THR 52 12.372 -16.096 -15.778 366 HB THR 52 HB THR 52 13.024 -19.022 -15.929 367 HG1 THR 52 HG1 THR 52 14.306 -18.106 -17.303 368 HG21 THR 52 HG21 THR 52 11.396 -18.955 -17.957 369 HG22 THR 52 HG22 THR 52 10.658 -17.591 -17.121 370 HG23 THR 52 HG23 THR 52 10.715 -19.174 -16.345 371 H VAL 53 HN VAL 53 11.924 -18.787 -13.505 372 HA VAL 53 HA VAL 53 9.124 -18.898 -13.568 373 HB VAL 53 HB VAL 53 11.170 -19.614 -11.482 374 HG11 VAL 53 HG11 VAL 53 9.105 -20.776 -10.390 375 HG12 VAL 53 HG12 VAL 53 8.165 -19.565 -11.263 376 HG13 VAL 53 HG13 VAL 53 9.368 -19.060 -10.076 377 HG21 VAL 53 HG21 VAL 53 10.694 -20.949 -13.645 378 HG22 VAL 53 HG22 VAL 53 9.152 -21.365 -12.895 379 HG23 VAL 53 HG23 VAL 53 10.666 -21.842 -12.123 380 H PHE 54 HN PHE 54 11.297 -17.034 -11.457 381 HA PHE 54 HA PHE 54 9.347 -15.837 -9.845 382 HB2 PHE 54 HB2 PHE 54 12.170 -15.338 -10.516 383 HB3 PHE 54 HB1 PHE 54 11.273 -13.902 -10.020 384 HD1 PHE 54 HD2 PHE 54 10.934 -17.487 -8.990 385 HD2 PHE 54 HD1 PHE 54 11.841 -13.465 -7.786 386 HE1 PHE 54 HE2 PHE 54 11.058 -18.223 -6.624 387 HE2 PHE 54 HE1 PHE 54 11.966 -14.201 -5.421 388 HZ PHE 54 HZ PHE 54 11.574 -16.580 -4.841 389 H ARG 55 HN ARG 55 9.978 -15.420 -13.158 390 HA ARG 55 HA ARG 55 8.560 -12.824 -13.198 391 HB2 ARG 55 HB2 ARG 55 10.672 -14.037 -14.922 392 HB3 ARG 55 HB1 ARG 55 9.495 -12.966 -15.683 393 HG2 ARG 55 HG2 ARG 55 10.208 -11.110 -14.501 394 HG3 ARG 55 HG1 ARG 55 10.750 -12.067 -13.121 395 HD2 ARG 55 HD2 ARG 55 12.160 -12.425 -15.736 396 HD3 ARG 55 HD1 ARG 55 12.500 -10.977 -14.792 397 HE ARG 55 HE ARG 55 13.403 -13.617 -14.200 398 HH11 ARG 55 HH21 ARG 55 12.220 -10.688 -12.786 399 HH12 ARG 55 HH22 ARG 55 13.029 -10.929 -11.274 400 HH21 ARG 55 HH11 ARG 55 14.463 -13.941 -12.219 401 HH22 ARG 55 HH12 ARG 55 14.299 -12.771 -10.952 402 H LYS 56 HN LYS 56 7.873 -15.983 -13.411 403 HA LYS 56 HA LYS 56 5.823 -15.572 -15.507 404 HB2 LYS 56 HB2 LYS 56 6.275 -17.589 -16.427 405 HB3 LYS 56 HB1 LYS 56 7.831 -17.405 -15.626 406 HG2 LYS 56 HG2 LYS 56 6.805 -18.582 -13.608 407 HG3 LYS 56 HG1 LYS 56 5.415 -18.950 -14.629 408 HD2 LYS 56 HD2 LYS 56 8.187 -19.660 -15.570 409 HD3 LYS 56 HD1 LYS 56 7.342 -20.705 -14.432 410 HE2 LYS 56 HE2 LYS 56 5.431 -20.863 -15.986 411 HE3 LYS 56 HE1 LYS 56 6.277 -19.821 -17.130 412 HZ1 LYS 56 HZ1 LYS 56 6.627 -22.613 -16.607 413 HZ2 LYS 56 HZ2 LYS 56 8.093 -21.757 -16.544 414 HZ3 LYS 56 HZ3 LYS 56 7.127 -21.692 -17.941 415 H LYS 57 HN LYS 57 6.562 -16.651 -12.283 416 HA LYS 57 HA LYS 57 3.789 -17.520 -11.849 417 HB2 LYS 57 HB2 LYS 57 5.633 -18.966 -11.030 418 HB3 LYS 57 HB1 LYS 57 6.172 -17.651 -9.985 419 HG2 LYS 57 HG2 LYS 57 3.350 -18.043 -9.605 420 HG3 LYS 57 HG1 LYS 57 4.173 -19.593 -9.435 421 HD2 LYS 57 HD2 LYS 57 5.023 -17.048 -8.024 422 HD3 LYS 57 HD1 LYS 57 4.041 -18.314 -7.286 423 HE2 LYS 57 HE2 LYS 57 5.883 -19.516 -6.818 424 HE3 LYS 57 HE1 LYS 57 6.343 -19.514 -8.521 425 HZ1 LYS 57 HZ1 LYS 57 7.914 -18.031 -8.107 426 HZ2 LYS 57 HZ2 LYS 57 7.580 -18.169 -6.448 427 HZ3 LYS 57 HZ3 LYS 57 6.810 -16.973 -7.376 428 H GLY 58 HN GLY 58 6.137 -15.099 -10.810 429 HA2 GLY 58 HA2 GLY 58 4.334 -13.909 -8.881 430 HA3 GLY 58 HA1 GLY 58 5.916 -13.297 -9.354 431 H HIS 59 HN HIS 59 5.258 -13.399 -12.223 432 HA HIS 59 HA HIS 59 4.347 -10.773 -12.587 433 HB2 HIS 59 HB2 HIS 59 5.152 -11.225 -14.626 434 HB3 HIS 59 HB1 HIS 59 5.221 -12.944 -14.237 435 HD2 HIS 59 HD2 HIS 59 3.004 -14.467 -15.171 436 HE1 HIS 59 HE1 HIS 59 1.166 -11.309 -17.286 437 HE2 HIS 59 HE2 HIS 59 1.130 -13.813 -16.869 438 H HIS 60 HN HIS 60 2.616 -13.708 -12.072 439 HA HIS 60 HA HIS 60 0.103 -12.571 -13.072 440 HB2 HIS 60 HB2 HIS 60 1.003 -15.305 -12.238 441 HB3 HIS 60 HB1 HIS 60 -0.717 -14.915 -12.222 442 HD2 HIS 60 HD2 HIS 60 -1.164 -13.343 -14.965 443 HE1 HIS 60 HE1 HIS 60 1.058 -16.391 -16.862 444 HE2 HIS 60 HE2 HIS 60 -0.562 -14.472 -17.242 445 H HIS 61 HN HIS 61 0.035 -14.773 -10.416 446 HA HIS 61 HA HIS 61 -0.377 -12.661 -8.438 447 HB2 HIS 61 HB2 HIS 61 -2.537 -14.374 -9.565 448 HB3 HIS 61 HB1 HIS 61 -2.560 -14.070 -7.828 449 HD2 HIS 61 HD2 HIS 61 -3.268 -12.175 -11.149 450 HE1 HIS 61 HE1 HIS 61 -3.649 -9.382 -8.005 451 HE2 HIS 61 HE2 HIS 61 -4.023 -9.764 -10.488 452 H HIS 62 HN HIS 62 -1.228 -13.937 -6.315 453 HA HIS 62 HA HIS 62 0.942 -15.708 -5.649 454 HB2 HIS 62 HB2 HIS 62 0.212 -14.204 -3.940 455 HB3 HIS 62 HB1 HIS 62 -1.466 -14.722 -4.111 456 HD2 HIS 62 HD2 HIS 62 1.875 -16.012 -2.488 457 HE1 HIS 62 HE1 HIS 62 -1.238 -18.630 -1.353 458 HE2 HIS 62 HE2 HIS 62 1.204 -18.039 -0.983 459 H HIS 63 HN HIS 63 0.901 -17.739 -6.398 460 HA HIS 63 HA HIS 63 0.143 -19.833 -6.975 461 HB2 HIS 63 HB2 HIS 63 -0.115 -19.597 -4.364 462 HB3 HIS 63 HB1 HIS 63 -1.837 -19.667 -4.739 463 HD2 HIS 63 HD2 HIS 63 -2.752 -22.258 -4.994 464 HE1 HIS 63 HE1 HIS 63 0.946 -24.127 -5.809 465 HE2 HIS 63 HE2 HIS 63 -1.533 -24.527 -5.428 466 H HIS 64 HN HIS 64 -1.083 -17.751 -8.399 467 HA HIS 64 HA HIS 64 -2.984 -17.175 -9.582 468 HB2 HIS 64 HB2 HIS 64 -3.139 -20.199 -9.622 469 HB3 HIS 64 HB1 HIS 64 -4.003 -19.123 -10.721 470 HD2 HIS 64 HD2 HIS 64 -0.350 -20.429 -10.130 471 HE1 HIS 64 HE1 HIS 64 -0.339 -18.059 -13.623 472 HE2 HIS 64 HE2 HIS 64 1.044 -19.633 -12.189 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 7.732 -16.334 18.142 2 H2 MET 1 HT2 MET 1 8.852 -16.944 17.020 3 H3 MET 1 HT3 MET 1 8.076 -15.460 16.731 4 HA MET 1 HA MET 1 9.308 -14.329 18.298 5 HB2 MET 1 HB2 MET 1 10.068 -17.044 19.420 6 HB3 MET 1 HB1 MET 1 10.579 -15.484 20.067 7 HG2 MET 1 HG2 MET 1 7.998 -14.987 20.139 8 HG3 MET 1 HG1 MET 1 7.853 -16.744 20.099 9 HE1 MET 1 HE1 MET 1 7.217 -17.707 22.158 10 HE2 MET 1 HE2 MET 1 6.517 -16.113 22.431 11 HE3 MET 1 HE3 MET 1 7.381 -16.923 23.736 12 H GLU 2 HN GLU 2 9.988 -16.758 16.091 13 HA GLU 2 HA GLU 2 12.871 -16.265 16.006 14 HB2 GLU 2 HB2 GLU 2 11.350 -17.951 14.036 15 HB3 GLU 2 HB1 GLU 2 13.022 -18.112 14.576 16 HG2 GLU 2 HG2 GLU 2 11.753 -18.405 16.945 17 HG3 GLU 2 HG1 GLU 2 10.517 -19.051 15.866 18 H GLU 3 HN GLU 3 13.789 -15.963 13.719 19 HA GLU 3 HA GLU 3 12.305 -14.725 11.677 20 HB2 GLU 3 HB2 GLU 3 12.814 -13.019 13.915 21 HB3 GLU 3 HB1 GLU 3 13.778 -12.454 12.550 22 HG2 GLU 3 HG2 GLU 3 11.793 -12.406 11.125 23 HG3 GLU 3 HG1 GLU 3 10.810 -13.065 12.431 24 H GLY 4 HN GLY 4 13.920 -13.223 10.328 25 HA2 GLY 4 HA2 GLY 4 16.117 -14.920 9.627 26 HA3 GLY 4 HA1 GLY 4 15.742 -13.354 8.915 27 H GLY 5 HN GLY 5 16.960 -11.630 9.458 28 HA2 GLY 5 HA2 GLY 5 18.076 -10.718 11.673 29 HA3 GLY 5 HA1 GLY 5 19.161 -12.065 11.340 30 H ASP 6 HN ASP 6 18.831 -8.833 10.965 31 HA ASP 6 HA ASP 6 20.786 -8.786 8.778 32 HB2 ASP 6 HB2 ASP 6 18.490 -6.843 8.748 33 HB3 ASP 6 HB1 ASP 6 19.610 -7.250 7.449 34 H PHE 7 HN PHE 7 21.437 -8.470 11.393 35 HA PHE 7 HA PHE 7 22.368 -5.717 11.435 36 HB2 PHE 7 HB2 PHE 7 20.026 -6.248 12.779 37 HB3 PHE 7 HB1 PHE 7 21.241 -6.455 14.041 38 HD1 PHE 7 HD1 PHE 7 20.115 -4.111 11.358 39 HD2 PHE 7 HD2 PHE 7 22.274 -4.582 15.041 40 HE1 PHE 7 HE1 PHE 7 20.353 -1.649 11.534 41 HE2 PHE 7 HE2 PHE 7 22.513 -2.120 15.216 42 HZ PHE 7 HZ PHE 7 21.553 -0.653 13.462 43 H ASP 8 HN ASP 8 23.346 -5.609 13.996 44 HA ASP 8 HA ASP 8 25.315 -6.163 15.070 45 HB2 ASP 8 HB2 ASP 8 23.386 -7.919 15.724 46 HB3 ASP 8 HB1 ASP 8 24.559 -9.034 15.024 47 H ASN 9 HN ASN 9 25.339 -6.313 12.102 48 HA ASN 9 HA ASN 9 26.598 -8.420 10.940 49 HB2 ASN 9 HB2 ASN 9 28.042 -6.515 9.786 50 HB3 ASN 9 HB1 ASN 9 26.318 -6.682 9.460 51 HD21 ASN 9 HD21 ASN 9 28.554 -4.350 10.112 52 HD22 ASN 9 HD22 ASN 9 27.577 -3.229 10.931 53 H TYR 10 HN TYR 10 28.641 -5.716 11.998 54 HA TYR 10 HA TYR 10 31.052 -6.966 12.097 55 HB2 TYR 10 HB2 TYR 10 31.782 -5.306 13.663 56 HB3 TYR 10 HB1 TYR 10 30.572 -4.543 12.632 57 HD1 TYR 10 HD2 TYR 10 28.252 -4.189 13.463 58 HD2 TYR 10 HD1 TYR 10 31.376 -5.681 16.006 59 HE1 TYR 10 HE2 TYR 10 26.881 -3.657 15.461 60 HE2 TYR 10 HE1 TYR 10 30.006 -5.149 18.003 61 HH TYR 10 HH TYR 10 28.180 -4.017 18.729 62 H TYR 11 HN TYR 11 32.315 -7.969 13.752 63 HA TYR 11 HA TYR 11 32.577 -9.768 15.185 64 HB2 TYR 11 HB2 TYR 11 32.427 -7.728 16.661 65 HB3 TYR 11 HB1 TYR 11 30.726 -8.120 16.916 66 HD1 TYR 11 HD2 TYR 11 34.170 -9.543 17.205 67 HD2 TYR 11 HD1 TYR 11 30.087 -9.719 18.528 68 HE1 TYR 11 HE2 TYR 11 34.807 -11.183 18.952 69 HE2 TYR 11 HE1 TYR 11 30.724 -11.359 20.275 70 HH TYR 11 HH TYR 11 33.700 -11.835 21.350 71 H GLY 12 HN GLY 12 30.587 -10.305 13.296 72 HA2 GLY 12 HA2 GLY 12 29.180 -12.425 14.572 73 HA3 GLY 12 HA1 GLY 12 28.090 -11.088 14.221 74 H ALA 13 HN ALA 13 29.666 -10.310 11.837 75 HA ALA 13 HA ALA 13 28.490 -12.263 9.990 76 HB1 ALA 13 HB1 ALA 13 28.426 -9.543 9.970 77 HB2 ALA 13 HB2 ALA 13 28.218 -10.544 8.532 78 HB3 ALA 13 HB3 ALA 13 29.797 -9.849 8.904 79 H ASP 14 HN ASP 14 31.547 -11.092 11.131 80 HA ASP 14 HA ASP 14 32.964 -12.641 9.051 81 HB2 ASP 14 HB2 ASP 14 34.910 -11.301 9.543 82 HB3 ASP 14 HB1 ASP 14 33.544 -10.217 9.278 83 H ASN 15 HN ASN 15 32.133 -12.533 12.369 84 HA ASN 15 HA ASN 15 34.237 -13.756 13.671 85 HB2 ASN 15 HB2 ASN 15 31.421 -13.385 14.134 86 HB3 ASN 15 HB1 ASN 15 31.899 -15.003 14.643 87 HD21 ASN 15 HD21 ASN 15 31.741 -11.813 15.711 88 HD22 ASN 15 HD22 ASN 15 32.885 -11.905 16.962 89 H GLN 16 HN GLN 16 32.190 -15.044 11.220 90 HA GLN 16 HA GLN 16 32.861 -17.819 11.840 91 HB2 GLN 16 HB2 GLN 16 31.242 -16.600 9.590 92 HB3 GLN 16 HB1 GLN 16 31.452 -18.331 9.862 93 HG2 GLN 16 HG2 GLN 16 30.432 -18.108 12.096 94 HG3 GLN 16 HG1 GLN 16 30.225 -16.378 11.831 95 HE21 GLN 16 HE21 GLN 16 29.790 -18.343 9.007 96 HE22 GLN 16 HE22 GLN 16 28.093 -18.301 8.986 97 H SER 17 HN SER 17 33.481 -15.402 9.315 98 HA SER 17 HA SER 17 34.965 -16.976 7.553 99 HB2 SER 17 HB2 SER 17 34.274 -14.735 6.944 100 HB3 SER 17 HB1 SER 17 35.251 -14.042 8.236 101 HG SER 17 HG SER 17 37.057 -15.164 7.124 102 H GLU 18 HN GLU 18 36.046 -15.111 10.379 103 HA GLU 18 HA GLU 18 38.797 -15.576 10.139 104 HB2 GLU 18 HB2 GLU 18 37.182 -15.303 12.686 105 HB3 GLU 18 HB1 GLU 18 38.921 -15.055 12.524 106 HG2 GLU 18 HG2 GLU 18 38.264 -13.329 10.684 107 HG3 GLU 18 HG1 GLU 18 36.671 -13.377 11.438 108 H CYS 19 HN CYS 19 36.212 -17.625 11.281 109 HA CYS 19 HA CYS 19 37.991 -19.569 12.489 110 HB2 CYS 19 HB2 CYS 19 35.309 -18.969 12.774 111 HB3 CYS 19 HB1 CYS 19 35.283 -20.478 11.860 112 HG CYS 19 HG CYS 19 35.739 -20.421 14.737 113 H GLU 20 HN GLU 20 36.274 -19.130 9.453 114 HA GLU 20 HA GLU 20 37.134 -21.761 8.495 115 HB2 GLU 20 HB2 GLU 20 35.560 -19.664 6.992 116 HB3 GLU 20 HB1 GLU 20 35.689 -21.384 6.625 117 HG2 GLU 20 HG2 GLU 20 34.794 -21.468 9.205 118 HG3 GLU 20 HG1 GLU 20 34.000 -20.008 8.619 119 H TYR 21 HN TYR 21 38.380 -18.682 8.670 120 HA TYR 21 HA TYR 21 39.581 -18.437 6.087 121 HB2 TYR 21 HB2 TYR 21 39.307 -16.448 7.399 122 HB3 TYR 21 HB1 TYR 21 40.192 -17.149 8.754 123 HD1 TYR 21 HD2 TYR 21 42.645 -17.630 8.527 124 HD2 TYR 21 HD1 TYR 21 40.449 -15.457 5.543 125 HE1 TYR 21 HE2 TYR 21 44.774 -16.788 7.573 126 HE2 TYR 21 HE1 TYR 21 42.577 -14.614 4.590 127 HH TYR 21 HH TYR 21 45.475 -14.722 6.187 128 H THR 22 HN THR 22 40.712 -19.622 9.240 129 HA THR 22 HA THR 22 43.369 -20.189 8.403 130 HB THR 22 HB THR 22 43.349 -21.697 10.458 131 HG1 THR 22 HG1 THR 22 41.465 -22.144 11.220 132 HG21 THR 22 HG21 THR 22 43.093 -19.729 12.013 133 HG22 THR 22 HG22 THR 22 42.504 -18.796 10.636 134 HG23 THR 22 HG23 THR 22 44.151 -19.430 10.633 135 H ASP 23 HN ASP 23 40.375 -21.749 7.851 136 HA ASP 23 HA ASP 23 41.649 -24.323 7.235 137 HB2 ASP 23 HB2 ASP 23 39.260 -23.775 8.418 138 HB3 ASP 23 HB1 ASP 23 38.760 -23.985 6.741 139 H TRP 24 HN TRP 24 39.544 -21.895 5.689 140 HA TRP 24 HA TRP 24 39.296 -22.890 3.162 141 HB2 TRP 24 HB2 TRP 24 38.234 -20.876 3.274 142 HB3 TRP 24 HB1 TRP 24 39.484 -20.155 4.287 143 HD1 TRP 24 HD1 TRP 24 38.815 -21.104 0.618 144 HE1 TRP 24 HE1 TRP 24 40.271 -19.603 -0.889 145 HE3 TRP 24 HE3 TRP 24 41.514 -18.633 4.181 146 HZ2 TRP 24 HZ2 TRP 24 42.312 -17.616 -0.619 147 HZ3 TRP 24 HZ3 TRP 24 43.205 -16.944 3.529 148 HH2 TRP 24 HH2 TRP 24 43.607 -16.431 1.137 149 H LYS 25 HN LYS 25 42.086 -21.082 4.428 150 HA LYS 25 HA LYS 25 43.625 -20.947 2.118 151 HB2 LYS 25 HB2 LYS 25 44.112 -19.913 4.396 152 HB3 LYS 25 HB1 LYS 25 44.776 -21.481 4.856 153 HG2 LYS 25 HG2 LYS 25 46.358 -21.380 2.975 154 HG3 LYS 25 HG1 LYS 25 45.686 -19.824 2.486 155 HD2 LYS 25 HD2 LYS 25 46.314 -18.900 4.723 156 HD3 LYS 25 HD1 LYS 25 47.095 -20.436 5.100 157 HE2 LYS 25 HE2 LYS 25 47.819 -18.552 2.837 158 HE3 LYS 25 HE1 LYS 25 48.779 -18.881 4.279 159 HZ1 LYS 25 HZ1 LYS 25 48.853 -21.235 3.573 160 HZ2 LYS 25 HZ2 LYS 25 49.625 -20.182 2.485 161 HZ3 LYS 25 HZ3 LYS 25 48.084 -20.800 2.125 162 H SER 26 HN SER 26 43.062 -23.642 4.288 163 HA SER 26 HA SER 26 45.079 -25.287 2.960 164 HB2 SER 26 HB2 SER 26 45.111 -26.372 4.920 165 HB3 SER 26 HB1 SER 26 43.890 -25.259 5.528 166 HG SER 26 HG SER 26 43.635 -27.832 5.024 167 H SER 27 HN SER 27 41.553 -25.254 3.454 168 HA SER 27 HA SER 27 41.177 -27.447 1.586 169 HB2 SER 27 HB2 SER 27 39.083 -25.690 2.879 170 HB3 SER 27 HB1 SER 27 38.835 -27.263 2.126 171 HG SER 27 HG SER 27 40.031 -26.592 4.568 172 H GLY 28 HN GLY 28 42.154 -24.527 0.963 173 HA2 GLY 28 HA2 GLY 28 40.162 -23.662 -0.974 174 HA3 GLY 28 HA1 GLY 28 41.688 -22.861 -0.613 175 H ALA 29 HN ALA 29 42.301 -26.099 -1.003 176 HA ALA 29 HA ALA 29 43.243 -25.655 -3.757 177 HB1 ALA 29 HB1 ALA 29 45.095 -26.416 -2.640 178 HB2 ALA 29 HB2 ALA 29 44.403 -27.972 -3.097 179 HB3 ALA 29 HB3 ALA 29 44.146 -27.335 -1.472 180 H LEU 30 HN LEU 30 40.583 -26.845 -2.306 181 HA LEU 30 HA LEU 30 40.117 -28.787 -4.479 182 HB2 LEU 30 HB2 LEU 30 38.962 -30.277 -2.937 183 HB3 LEU 30 HB1 LEU 30 40.612 -30.009 -2.373 184 HG LEU 30 HG LEU 30 39.202 -27.936 -1.189 185 HD11 LEU 30 HD11 LEU 30 37.252 -28.987 -0.140 186 HD12 LEU 30 HD12 LEU 30 37.558 -30.482 -1.024 187 HD13 LEU 30 HD13 LEU 30 37.080 -29.024 -1.894 188 HD21 LEU 30 HD21 LEU 30 39.526 -29.256 0.886 189 HD22 LEU 30 HD22 LEU 30 40.955 -29.315 -0.146 190 HD23 LEU 30 HD23 LEU 30 39.853 -30.690 -0.089 191 H ILE 31 HN ILE 31 39.224 -25.959 -3.071 192 HA ILE 31 HA ILE 31 36.362 -26.245 -3.176 193 HB ILE 31 HB ILE 31 38.251 -23.980 -2.662 194 HG12 ILE 31 HG12 ILE 31 35.785 -24.880 -1.165 195 HG13 ILE 31 HG11 ILE 31 37.357 -25.646 -0.926 196 HG21 ILE 31 HG21 ILE 31 36.081 -22.589 -2.420 197 HG22 ILE 31 HG22 ILE 31 35.354 -23.792 -3.484 198 HG23 ILE 31 HG23 ILE 31 36.719 -22.827 -4.046 199 HD11 ILE 31 HD11 ILE 31 36.470 -23.414 0.427 200 HD12 ILE 31 HD12 ILE 31 37.460 -22.710 -0.851 201 HD13 ILE 31 HD13 ILE 31 38.160 -23.888 0.260 202 HA PRO 32 HA PRO 32 37.224 -23.665 -7.277 203 HB2 PRO 32 HB2 PRO 32 39.426 -25.362 -8.320 204 HB3 PRO 32 HB1 PRO 32 39.223 -23.602 -8.397 205 HG2 PRO 32 HG2 PRO 32 41.006 -24.742 -6.772 206 HG3 PRO 32 HG1 PRO 32 40.130 -23.269 -6.320 207 HD2 PRO 32 HD2 PRO 32 39.695 -26.082 -5.392 208 HD3 PRO 32 HD1 PRO 32 39.526 -24.559 -4.494 209 H ALA 33 HN ALA 33 37.847 -27.138 -6.969 210 HA ALA 33 HA ALA 33 36.848 -28.076 -9.373 211 HB1 ALA 33 HB1 ALA 33 36.915 -29.207 -6.598 212 HB2 ALA 33 HB2 ALA 33 37.789 -29.729 -8.037 213 HB3 ALA 33 HB3 ALA 33 36.068 -30.080 -7.876 214 H ILE 34 HN ILE 34 34.950 -28.072 -6.348 215 HA ILE 34 HA ILE 34 32.460 -28.482 -7.548 216 HB ILE 34 HB ILE 34 33.322 -27.280 -4.933 217 HG12 ILE 34 HG12 ILE 34 31.563 -29.666 -5.561 218 HG13 ILE 34 HG11 ILE 34 33.319 -29.780 -5.443 219 HG21 ILE 34 HG21 ILE 34 30.574 -27.295 -6.170 220 HG22 ILE 34 HG22 ILE 34 31.379 -26.001 -5.282 221 HG23 ILE 34 HG23 ILE 34 30.768 -27.413 -4.421 222 HD11 ILE 34 HD11 ILE 34 32.033 -30.317 -3.306 223 HD12 ILE 34 HD12 ILE 34 31.616 -28.605 -3.238 224 HD13 ILE 34 HD13 ILE 34 33.305 -29.105 -3.151 225 H TYR 35 HN TYR 35 34.053 -25.438 -6.623 226 HA TYR 35 HA TYR 35 32.161 -23.565 -7.148 227 HB2 TYR 35 HB2 TYR 35 34.868 -23.488 -6.791 228 HB3 TYR 35 HB1 TYR 35 34.719 -22.941 -8.462 229 HD1 TYR 35 HD1 TYR 35 33.797 -22.240 -4.956 230 HD2 TYR 35 HD2 TYR 35 33.584 -20.868 -9.021 231 HE1 TYR 35 HE1 TYR 35 33.036 -20.016 -4.167 232 HE2 TYR 35 HE2 TYR 35 32.823 -18.645 -8.232 233 HH TYR 35 HH TYR 35 31.622 -18.068 -5.249 234 H MET 36 HN MET 36 34.286 -25.010 -9.628 235 HA MET 36 HA MET 36 33.323 -23.739 -11.876 236 HB2 MET 36 HB2 MET 36 34.234 -26.600 -11.519 237 HB3 MET 36 HB1 MET 36 33.903 -25.879 -13.095 238 HG2 MET 36 HG2 MET 36 35.587 -24.140 -11.493 239 HG3 MET 36 HG1 MET 36 36.311 -25.739 -11.665 240 HE1 MET 36 HE1 MET 36 35.231 -22.702 -14.903 241 HE2 MET 36 HE2 MET 36 34.981 -22.607 -13.162 242 HE3 MET 36 HE3 MET 36 33.934 -23.632 -14.140 243 H LEU 37 HN LEU 37 32.249 -27.001 -10.912 244 HA LEU 37 HA LEU 37 30.048 -27.189 -12.568 245 HB2 LEU 37 HB2 LEU 37 31.105 -28.632 -10.356 246 HB3 LEU 37 HB1 LEU 37 29.379 -28.411 -10.075 247 HG LEU 37 HG LEU 37 28.938 -29.247 -12.388 248 HD11 LEU 37 HD11 LEU 37 30.636 -29.410 -13.855 249 HD12 LEU 37 HD12 LEU 37 31.429 -30.593 -12.817 250 HD13 LEU 37 HD13 LEU 37 31.758 -28.874 -12.606 251 HD21 LEU 37 HD21 LEU 37 30.325 -31.579 -11.600 252 HD22 LEU 37 HD22 LEU 37 28.643 -31.175 -11.257 253 HD23 LEU 37 HD23 LEU 37 29.907 -30.739 -10.107 254 H VAL 38 HN VAL 38 30.174 -25.913 -9.248 255 HA VAL 38 HA VAL 38 27.390 -25.224 -9.217 256 HB VAL 38 HB VAL 38 29.725 -24.529 -7.437 257 HG11 VAL 38 HG11 VAL 38 27.836 -23.644 -5.910 258 HG12 VAL 38 HG12 VAL 38 26.875 -23.532 -7.383 259 HG13 VAL 38 HG13 VAL 38 28.365 -22.600 -7.230 260 HG21 VAL 38 HG21 VAL 38 28.658 -26.839 -7.442 261 HG22 VAL 38 HG22 VAL 38 27.176 -26.068 -6.878 262 HG23 VAL 38 HG23 VAL 38 28.633 -26.009 -5.886 263 H PHE 39 HN PHE 39 30.044 -23.860 -10.755 264 HA PHE 39 HA PHE 39 28.956 -21.135 -10.640 265 HB2 PHE 39 HB2 PHE 39 31.342 -21.259 -10.317 266 HB3 PHE 39 HB1 PHE 39 31.534 -22.233 -11.775 267 HD1 PHE 39 HD2 PHE 39 29.905 -18.998 -10.774 268 HD2 PHE 39 HD1 PHE 39 32.269 -21.105 -13.678 269 HE1 PHE 39 HE2 PHE 39 30.089 -16.927 -12.128 270 HE2 PHE 39 HE1 PHE 39 32.452 -19.035 -15.030 271 HZ PHE 39 HZ PHE 39 31.363 -16.946 -14.256 272 H LEU 40 HN LEU 40 29.482 -23.823 -12.849 273 HA LEU 40 HA LEU 40 28.254 -22.265 -15.028 274 HB2 LEU 40 HB2 LEU 40 29.101 -24.048 -16.515 275 HB3 LEU 40 HB1 LEU 40 30.397 -23.290 -15.591 276 HG LEU 40 HG LEU 40 29.610 -25.323 -13.911 277 HD11 LEU 40 HD11 LEU 40 29.695 -26.522 -16.682 278 HD12 LEU 40 HD12 LEU 40 28.171 -26.113 -15.895 279 HD13 LEU 40 HD13 LEU 40 29.247 -27.306 -15.168 280 HD21 LEU 40 HD21 LEU 40 31.744 -25.208 -16.055 281 HD22 LEU 40 HD22 LEU 40 31.675 -26.487 -14.843 282 HD23 LEU 40 HD23 LEU 40 31.914 -24.813 -14.345 283 H LEU 41 HN LEU 41 27.950 -25.295 -13.206 284 HA LEU 41 HA LEU 41 25.578 -26.088 -14.652 285 HB2 LEU 41 HB2 LEU 41 27.440 -27.453 -13.182 286 HB3 LEU 41 HB1 LEU 41 26.096 -27.348 -12.042 287 HG LEU 41 HG LEU 41 25.940 -28.378 -14.884 288 HD11 LEU 41 HD11 LEU 41 27.000 -30.051 -13.579 289 HD12 LEU 41 HD12 LEU 41 25.298 -30.512 -13.585 290 HD13 LEU 41 HD13 LEU 41 25.990 -29.710 -12.175 291 HD21 LEU 41 HD21 LEU 41 23.631 -29.151 -13.748 292 HD22 LEU 41 HD22 LEU 41 23.790 -27.600 -14.569 293 HD23 LEU 41 HD23 LEU 41 23.906 -27.683 -12.812 294 H GLY 42 HN GLY 42 26.369 -24.638 -11.537 295 HA2 GLY 42 HA2 GLY 42 23.662 -24.624 -10.574 296 HA3 GLY 42 HA1 GLY 42 25.027 -23.766 -9.866 297 H THR 43 HN THR 43 25.867 -22.061 -11.749 298 HA THR 43 HA THR 43 23.927 -20.001 -11.701 299 HB THR 43 HB THR 43 26.218 -20.022 -13.641 300 HG1 THR 43 HG1 THR 43 27.622 -19.777 -12.032 301 HG21 THR 43 HG21 THR 43 26.036 -17.746 -13.524 302 HG22 THR 43 HG22 THR 43 25.608 -17.767 -11.813 303 HG23 THR 43 HG23 THR 43 24.387 -18.128 -13.032 304 H THR 44 HN THR 44 23.809 -22.734 -13.444 305 HA THR 44 HA THR 44 22.497 -21.433 -15.760 306 HB THR 44 HB THR 44 23.929 -24.094 -15.598 307 HG1 THR 44 HG1 THR 44 24.453 -21.570 -16.696 308 HG21 THR 44 HG21 THR 44 23.417 -23.940 -18.163 309 HG22 THR 44 HG22 THR 44 22.104 -22.878 -17.651 310 HG23 THR 44 HG23 THR 44 22.171 -24.542 -17.069 311 H GLY 45 HN GLY 45 22.331 -23.939 -13.303 312 HA2 GLY 45 HA2 GLY 45 19.667 -24.765 -14.220 313 HA3 GLY 45 HA1 GLY 45 20.633 -25.563 -12.982 314 H ASN 46 HN ASN 46 21.206 -22.805 -11.823 315 HA ASN 46 HA ASN 46 18.786 -22.692 -10.169 316 HB2 ASN 46 HB2 ASN 46 21.503 -21.415 -9.776 317 HB3 ASN 46 HB1 ASN 46 20.167 -21.357 -8.629 318 HD21 ASN 46 HD21 ASN 46 21.297 -24.142 -10.606 319 HD22 ASN 46 HD22 ASN 46 21.634 -25.137 -9.273 320 H GLY 47 HN GLY 47 21.009 -20.440 -11.823 321 HA2 GLY 47 HA2 GLY 47 19.514 -18.106 -11.479 322 HA3 GLY 47 HA1 GLY 47 20.638 -18.391 -12.804 323 H LEU 48 HN LEU 48 19.462 -20.446 -14.167 324 HA LEU 48 HA LEU 48 17.554 -19.162 -15.760 325 HB2 LEU 48 HB2 LEU 48 18.941 -21.112 -16.470 326 HB3 LEU 48 HB1 LEU 48 17.956 -22.147 -15.439 327 HG LEU 48 HG LEU 48 15.934 -21.471 -16.726 328 HD11 LEU 48 HD11 LEU 48 16.276 -19.412 -17.712 329 HD12 LEU 48 HD12 LEU 48 16.689 -20.448 -19.078 330 HD13 LEU 48 HD13 LEU 48 17.966 -19.749 -18.084 331 HD21 LEU 48 HD21 LEU 48 18.113 -23.116 -17.590 332 HD22 LEU 48 HD22 LEU 48 17.388 -22.364 -19.010 333 HD23 LEU 48 HD23 LEU 48 16.393 -23.323 -17.917 334 H VAL 49 HN VAL 49 17.102 -21.679 -13.276 335 HA VAL 49 HA VAL 49 14.301 -21.834 -13.450 336 HB VAL 49 HB VAL 49 16.289 -22.469 -11.286 337 HG11 VAL 49 HG11 VAL 49 13.285 -22.365 -11.112 338 HG12 VAL 49 HG12 VAL 49 14.482 -21.848 -9.924 339 HG13 VAL 49 HG13 VAL 49 14.185 -23.566 -10.187 340 HG21 VAL 49 HG21 VAL 49 15.984 -23.949 -13.293 341 HG22 VAL 49 HG22 VAL 49 14.299 -24.168 -12.823 342 HG23 VAL 49 HG23 VAL 49 15.590 -24.749 -11.771 343 H LEU 50 HN LEU 50 16.101 -20.328 -10.763 344 HA LEU 50 HA LEU 50 14.057 -18.926 -9.598 345 HB2 LEU 50 HB2 LEU 50 16.902 -17.954 -9.966 346 HB3 LEU 50 HB1 LEU 50 15.761 -17.359 -8.761 347 HG LEU 50 HG LEU 50 16.715 -20.231 -8.980 348 HD11 LEU 50 HD11 LEU 50 18.548 -19.492 -7.897 349 HD12 LEU 50 HD12 LEU 50 17.499 -19.114 -6.531 350 HD13 LEU 50 HD13 LEU 50 17.867 -17.874 -7.728 351 HD21 LEU 50 HD21 LEU 50 14.669 -20.426 -7.904 352 HD22 LEU 50 HD22 LEU 50 14.736 -18.792 -7.247 353 HD23 LEU 50 HD23 LEU 50 15.704 -20.074 -6.522 354 H TRP 51 HN TRP 51 15.715 -18.205 -12.583 355 HA TRP 51 HA TRP 51 14.696 -15.517 -12.811 356 HB2 TRP 51 HB2 TRP 51 16.767 -16.047 -13.929 357 HB3 TRP 51 HB1 TRP 51 16.006 -17.373 -14.808 358 HD1 TRP 51 HD1 TRP 51 16.289 -13.589 -14.728 359 HE1 TRP 51 HE1 TRP 51 15.247 -12.619 -16.877 360 HE3 TRP 51 HE3 TRP 51 14.181 -17.814 -16.671 361 HZ2 TRP 51 HZ2 TRP 51 13.720 -13.517 -19.123 362 HZ3 TRP 51 HZ3 TRP 51 12.939 -17.728 -18.814 363 HH2 TRP 51 HH2 TRP 51 12.707 -15.586 -20.042 364 H THR 52 HN THR 52 13.956 -18.640 -14.357 365 HA THR 52 HA THR 52 11.826 -17.712 -15.957 366 HB THR 52 HB THR 52 12.642 -20.406 -14.910 367 HG1 THR 52 HG1 THR 52 12.964 -20.731 -17.109 368 HG21 THR 52 HG21 THR 52 10.314 -20.717 -14.869 369 HG22 THR 52 HG22 THR 52 10.753 -21.230 -16.499 370 HG23 THR 52 HG23 THR 52 10.052 -19.633 -16.236 371 H VAL 53 HN VAL 53 11.846 -19.232 -12.738 372 HA VAL 53 HA VAL 53 9.073 -19.265 -12.320 373 HB VAL 53 HB VAL 53 11.346 -19.000 -10.339 374 HG11 VAL 53 HG11 VAL 53 8.404 -19.040 -10.021 375 HG12 VAL 53 HG12 VAL 53 9.649 -18.451 -8.918 376 HG13 VAL 53 HG13 VAL 53 9.281 -20.175 -8.994 377 HG21 VAL 53 HG21 VAL 53 9.704 -21.353 -11.329 378 HG22 VAL 53 HG22 VAL 53 10.882 -21.434 -10.019 379 HG23 VAL 53 HG23 VAL 53 11.411 -21.059 -11.660 380 H PHE 54 HN PHE 54 11.471 -16.844 -11.249 381 HA PHE 54 HA PHE 54 9.767 -15.035 -10.041 382 HB2 PHE 54 HB2 PHE 54 12.385 -14.822 -11.439 383 HB3 PHE 54 HB1 PHE 54 11.511 -13.323 -11.132 384 HD1 PHE 54 HD2 PHE 54 11.677 -16.491 -9.145 385 HD2 PHE 54 HD1 PHE 54 12.565 -12.291 -9.304 386 HE1 PHE 54 HE2 PHE 54 12.397 -16.553 -6.772 387 HE2 PHE 54 HE1 PHE 54 13.285 -12.353 -6.932 388 HZ PHE 54 HZ PHE 54 13.201 -14.484 -5.666 389 H ARG 55 HN ARG 55 9.739 -16.022 -13.263 390 HA ARG 55 HA ARG 55 8.348 -13.570 -14.144 391 HB2 ARG 55 HB2 ARG 55 10.045 -15.584 -15.518 392 HB3 ARG 55 HB1 ARG 55 8.689 -14.926 -16.435 393 HG2 ARG 55 HG2 ARG 55 9.495 -12.719 -16.284 394 HG3 ARG 55 HG1 ARG 55 10.549 -13.100 -14.921 395 HD2 ARG 55 HD2 ARG 55 11.468 -12.884 -17.444 396 HD3 ARG 55 HD1 ARG 55 12.196 -13.961 -16.257 397 HE ARG 55 HE ARG 55 11.311 -15.783 -17.421 398 HH11 ARG 55 HH21 ARG 55 10.005 -12.778 -18.535 399 HH12 ARG 55 HH22 ARG 55 9.240 -13.469 -19.927 400 HH21 ARG 55 HH11 ARG 55 10.310 -16.695 -19.244 401 HH22 ARG 55 HH12 ARG 55 9.412 -15.687 -20.329 402 H LYS 56 HN LYS 56 7.908 -16.865 -13.321 403 HA LYS 56 HA LYS 56 5.334 -16.993 -14.742 404 HB2 LYS 56 HB2 LYS 56 5.597 -19.241 -14.848 405 HB3 LYS 56 HB1 LYS 56 7.289 -18.879 -14.522 406 HG2 LYS 56 HG2 LYS 56 6.741 -19.083 -12.043 407 HG3 LYS 56 HG1 LYS 56 5.168 -19.726 -12.528 408 HD2 LYS 56 HD2 LYS 56 6.208 -21.565 -13.702 409 HD3 LYS 56 HD1 LYS 56 7.814 -20.885 -13.440 410 HE2 LYS 56 HE2 LYS 56 7.403 -21.077 -10.959 411 HE3 LYS 56 HE1 LYS 56 5.919 -21.953 -11.332 412 HZ1 LYS 56 HZ1 LYS 56 8.606 -22.759 -12.298 413 HZ2 LYS 56 HZ2 LYS 56 7.159 -23.639 -12.437 414 HZ3 LYS 56 HZ3 LYS 56 7.868 -23.399 -10.912 415 H LYS 57 HN LYS 57 6.749 -16.697 -11.597 416 HA LYS 57 HA LYS 57 4.122 -17.068 -10.311 417 HB2 LYS 57 HB2 LYS 57 5.662 -18.392 -9.154 418 HB3 LYS 57 HB1 LYS 57 6.957 -17.208 -9.326 419 HG2 LYS 57 HG2 LYS 57 6.062 -15.803 -7.658 420 HG3 LYS 57 HG1 LYS 57 4.468 -16.554 -7.756 421 HD2 LYS 57 HD2 LYS 57 5.365 -18.629 -6.799 422 HD3 LYS 57 HD1 LYS 57 6.978 -17.917 -6.737 423 HE2 LYS 57 HE2 LYS 57 6.507 -16.972 -4.753 424 HE3 LYS 57 HE1 LYS 57 5.136 -16.122 -5.468 425 HZ1 LYS 57 HZ1 LYS 57 4.066 -17.405 -3.945 426 HZ2 LYS 57 HZ2 LYS 57 5.202 -18.665 -4.022 427 HZ3 LYS 57 HZ3 LYS 57 4.050 -18.481 -5.256 428 H GLY 58 HN GLY 58 6.577 -14.741 -11.084 429 HA2 GLY 58 HA2 GLY 58 5.665 -12.723 -9.233 430 HA3 GLY 58 HA1 GLY 58 6.842 -12.506 -10.526 431 H HIS 59 HN HIS 59 4.993 -13.663 -12.532 432 HA HIS 59 HA HIS 59 3.822 -11.288 -13.472 433 HB2 HIS 59 HB2 HIS 59 4.329 -13.738 -14.555 434 HB3 HIS 59 HB1 HIS 59 2.575 -13.799 -14.383 435 HD2 HIS 59 HD2 HIS 59 5.255 -11.988 -16.551 436 HE1 HIS 59 HE1 HIS 59 1.482 -10.462 -17.674 437 HE2 HIS 59 HE2 HIS 59 3.952 -10.508 -18.263 438 H HIS 60 HN HIS 60 2.834 -13.339 -10.991 439 HA HIS 60 HA HIS 60 0.194 -12.047 -10.932 440 HB2 HIS 60 HB2 HIS 60 0.034 -14.368 -11.956 441 HB3 HIS 60 HB1 HIS 60 0.527 -14.997 -10.384 442 HD2 HIS 60 HD2 HIS 60 -1.568 -12.130 -9.382 443 HE1 HIS 60 HE1 HIS 60 -4.386 -15.203 -10.044 444 HE2 HIS 60 HE2 HIS 60 -4.032 -12.910 -9.011 445 H HIS 61 HN HIS 61 2.818 -11.861 -9.460 446 HA HIS 61 HA HIS 61 1.662 -11.894 -6.779 447 HB2 HIS 61 HB2 HIS 61 2.768 -14.120 -7.088 448 HB3 HIS 61 HB1 HIS 61 4.292 -13.274 -7.354 449 HD2 HIS 61 HD2 HIS 61 5.169 -11.726 -5.015 450 HE1 HIS 61 HE1 HIS 61 2.764 -13.923 -2.329 451 HE2 HIS 61 HE2 HIS 61 4.678 -12.263 -2.507 452 H HIS 62 HN HIS 62 3.002 -10.713 -5.228 453 HA HIS 62 HA HIS 62 4.491 -9.063 -4.578 454 HB2 HIS 62 HB2 HIS 62 5.930 -10.104 -6.531 455 HB3 HIS 62 HB1 HIS 62 5.468 -8.630 -7.378 456 HD2 HIS 62 HD2 HIS 62 6.784 -6.318 -6.505 457 HE1 HIS 62 HE1 HIS 62 8.831 -8.077 -3.258 458 HE2 HIS 62 HE2 HIS 62 8.580 -5.963 -4.644 459 H HIS 63 HN HIS 63 5.079 -6.958 -6.821 460 HA HIS 63 HA HIS 63 2.891 -5.239 -6.133 461 HB2 HIS 63 HB2 HIS 63 3.993 -3.636 -7.674 462 HB3 HIS 63 HB1 HIS 63 5.123 -4.317 -6.503 463 HD2 HIS 63 HD2 HIS 63 7.408 -4.414 -8.120 464 HE1 HIS 63 HE1 HIS 63 5.734 -6.690 -11.256 465 HE2 HIS 63 HE2 HIS 63 7.884 -5.692 -10.347 466 H HIS 64 HN HIS 64 2.007 -7.611 -7.378 467 HA HIS 64 HA HIS 64 0.806 -8.433 -9.166 468 HB2 HIS 64 HB2 HIS 64 -0.711 -6.822 -7.921 469 HB3 HIS 64 HB1 HIS 64 -0.340 -5.639 -9.175 470 HD2 HIS 64 HD2 HIS 64 -1.948 -9.282 -9.038 471 HE1 HIS 64 HE1 HIS 64 -3.377 -7.258 -12.457 472 HE2 HIS 64 HE2 HIS 64 -3.558 -9.391 -11.092 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 41.097 4.317 13.701 2 H2 MET 1 HT2 MET 1 41.330 2.742 13.106 3 H3 MET 1 HT3 MET 1 41.787 4.085 12.169 4 HA MET 1 HA MET 1 43.816 3.924 13.003 5 HB2 MET 1 HB2 MET 1 42.428 4.426 15.655 6 HB3 MET 1 HB1 MET 1 44.136 4.703 15.310 7 HG2 MET 1 HG2 MET 1 43.312 6.834 14.944 8 HG3 MET 1 HG1 MET 1 43.138 6.162 13.323 9 HE1 MET 1 HE1 MET 1 40.012 8.413 13.734 10 HE2 MET 1 HE2 MET 1 41.608 8.200 13.019 11 HE3 MET 1 HE3 MET 1 41.464 8.692 14.704 12 H GLU 2 HN GLU 2 44.009 3.035 16.022 13 HA GLU 2 HA GLU 2 44.230 0.172 15.372 14 HB2 GLU 2 HB2 GLU 2 45.436 1.785 17.634 15 HB3 GLU 2 HB1 GLU 2 45.695 0.062 17.362 16 HG2 GLU 2 HG2 GLU 2 46.183 1.806 15.019 17 HG3 GLU 2 HG1 GLU 2 47.316 1.999 16.355 18 H GLU 3 HN GLU 3 44.122 -1.049 17.737 19 HA GLU 3 HA GLU 3 42.747 -1.815 19.418 20 HB2 GLU 3 HB2 GLU 3 42.592 0.903 19.679 21 HB3 GLU 3 HB1 GLU 3 40.900 0.477 19.410 22 HG2 GLU 3 HG2 GLU 3 41.246 -1.351 21.178 23 HG3 GLU 3 HG1 GLU 3 42.748 -0.522 21.579 24 H GLY 4 HN GLY 4 41.180 -3.285 19.197 25 HA2 GLY 4 HA2 GLY 4 38.637 -2.931 18.144 26 HA3 GLY 4 HA1 GLY 4 39.647 -3.465 16.804 27 H GLY 5 HN GLY 5 38.410 -4.327 19.986 28 HA2 GLY 5 HA2 GLY 5 38.490 -7.148 19.248 29 HA3 GLY 5 HA1 GLY 5 39.442 -6.694 20.658 30 H ASP 6 HN ASP 6 36.390 -5.206 19.723 31 HA ASP 6 HA ASP 6 34.857 -6.722 21.662 32 HB2 ASP 6 HB2 ASP 6 35.630 -3.846 22.133 33 HB3 ASP 6 HB1 ASP 6 34.189 -4.557 22.857 34 H PHE 7 HN PHE 7 34.237 -6.842 19.155 35 HA PHE 7 HA PHE 7 32.661 -6.407 17.538 36 HB2 PHE 7 HB2 PHE 7 31.343 -5.810 20.135 37 HB3 PHE 7 HB1 PHE 7 30.521 -5.256 18.676 38 HD1 PHE 7 HD2 PHE 7 30.111 -6.941 16.796 39 HD2 PHE 7 HD1 PHE 7 31.301 -8.093 20.760 40 HE1 PHE 7 HE2 PHE 7 29.321 -9.250 16.362 41 HE2 PHE 7 HE1 PHE 7 30.512 -10.403 20.325 42 HZ PHE 7 HZ PHE 7 29.521 -10.982 18.126 43 H ASP 8 HN ASP 8 34.020 -4.836 16.502 44 HA ASP 8 HA ASP 8 32.818 -2.166 16.527 45 HB2 ASP 8 HB2 ASP 8 35.721 -2.747 17.095 46 HB3 ASP 8 HB1 ASP 8 35.185 -1.190 16.466 47 H ASN 9 HN ASN 9 32.451 -4.097 14.608 48 HA ASN 9 HA ASN 9 32.803 -4.645 12.385 49 HB2 ASN 9 HB2 ASN 9 31.613 -2.511 12.232 50 HB3 ASN 9 HB1 ASN 9 33.140 -1.637 12.326 51 HD21 ASN 9 HD21 ASN 9 31.938 -0.960 10.078 52 HD22 ASN 9 HD22 ASN 9 32.492 -1.825 8.726 53 H TYR 10 HN TYR 10 34.719 -2.006 11.508 54 HA TYR 10 HA TYR 10 36.797 -3.339 10.376 55 HB2 TYR 10 HB2 TYR 10 36.964 -0.712 11.871 56 HB3 TYR 10 HB1 TYR 10 38.169 -1.303 10.727 57 HD1 TYR 10 HD2 TYR 10 37.520 -1.689 8.326 58 HD2 TYR 10 HD1 TYR 10 34.923 0.279 11.125 59 HE1 TYR 10 HE2 TYR 10 36.181 -0.780 6.445 60 HE2 TYR 10 HE1 TYR 10 33.585 1.188 9.244 61 HH TYR 10 HH TYR 10 34.660 1.023 5.979 62 H TYR 11 HN TYR 11 38.817 -4.103 10.981 63 HA TYR 11 HA TYR 11 40.247 -5.283 12.350 64 HB2 TYR 11 HB2 TYR 11 39.849 -3.208 14.468 65 HB3 TYR 11 HB1 TYR 11 41.340 -3.964 13.907 66 HD1 TYR 11 HD1 TYR 11 42.070 -3.453 11.463 67 HD2 TYR 11 HD2 TYR 11 39.225 -1.096 13.653 68 HE1 TYR 11 HE1 TYR 11 42.454 -1.554 9.916 69 HE2 TYR 11 HE2 TYR 11 39.608 0.804 12.106 70 HH TYR 11 HH TYR 11 42.193 0.795 9.791 71 H GLY 12 HN GLY 12 37.580 -6.150 12.502 72 HA2 GLY 12 HA2 GLY 12 37.636 -7.694 14.874 73 HA3 GLY 12 HA1 GLY 12 36.483 -6.377 15.060 74 H ALA 13 HN ALA 13 35.920 -6.397 12.137 75 HA ALA 13 HA ALA 13 33.920 -8.530 12.197 76 HB1 ALA 13 HB1 ALA 13 32.758 -6.767 11.380 77 HB2 ALA 13 HB2 ALA 13 33.515 -7.193 9.846 78 HB3 ALA 13 HB3 ALA 13 34.217 -5.926 10.854 79 H ASP 14 HN ASP 14 36.868 -7.641 10.575 80 HA ASP 14 HA ASP 14 36.578 -9.933 8.732 81 HB2 ASP 14 HB2 ASP 14 38.408 -7.527 8.585 82 HB3 ASP 14 HB1 ASP 14 38.377 -8.851 7.422 83 H ASN 15 HN ASN 15 38.220 -8.776 11.492 84 HA ASN 15 HA ASN 15 40.733 -9.915 11.363 85 HB2 ASN 15 HB2 ASN 15 38.999 -8.923 13.410 86 HB3 ASN 15 HB1 ASN 15 39.723 -10.431 13.967 87 HD21 ASN 15 HD21 ASN 15 40.422 -7.102 13.030 88 HD22 ASN 15 HD22 ASN 15 42.052 -7.124 13.504 89 H GLN 16 HN GLN 16 37.701 -11.486 11.326 90 HA GLN 16 HA GLN 16 38.652 -14.019 12.367 91 HB2 GLN 16 HB2 GLN 16 36.455 -14.791 12.086 92 HB3 GLN 16 HB1 GLN 16 36.237 -13.080 12.459 93 HG2 GLN 16 HG2 GLN 16 36.341 -12.738 9.883 94 HG3 GLN 16 HG1 GLN 16 36.016 -14.468 9.795 95 HE21 GLN 16 HE21 GLN 16 33.831 -14.349 9.050 96 HE22 GLN 16 HE22 GLN 16 32.585 -13.645 9.963 97 H SER 17 HN SER 17 38.249 -12.469 9.258 98 HA SER 17 HA SER 17 38.584 -14.892 7.726 99 HB2 SER 17 HB2 SER 17 38.487 -13.487 5.805 100 HB3 SER 17 HB1 SER 17 37.343 -12.806 6.960 101 HG SER 17 HG SER 17 38.510 -11.068 6.988 102 H GLU 18 HN GLU 18 40.616 -12.141 8.662 103 HA GLU 18 HA GLU 18 42.889 -12.525 7.208 104 HB2 GLU 18 HB2 GLU 18 42.742 -11.936 10.175 105 HB3 GLU 18 HB1 GLU 18 44.152 -11.663 9.151 106 HG2 GLU 18 HG2 GLU 18 41.576 -10.497 8.221 107 HG3 GLU 18 HG1 GLU 18 42.329 -9.743 9.625 108 H CYS 19 HN CYS 19 41.826 -14.413 10.004 109 HA CYS 19 HA CYS 19 44.159 -15.973 10.312 110 HB2 CYS 19 HB2 CYS 19 41.880 -15.733 11.728 111 HB3 CYS 19 HB1 CYS 19 41.536 -17.241 10.879 112 HG CYS 19 HG CYS 19 43.454 -16.971 13.176 113 H GLU 20 HN GLU 20 41.394 -16.240 8.170 114 HA GLU 20 HA GLU 20 42.276 -18.852 7.190 115 HB2 GLU 20 HB2 GLU 20 39.934 -17.142 6.319 116 HB3 GLU 20 HB1 GLU 20 40.230 -18.821 5.864 117 HG2 GLU 20 HG2 GLU 20 39.846 -17.857 8.712 118 HG3 GLU 20 HG1 GLU 20 38.585 -18.602 7.731 119 H TYR 21 HN TYR 21 42.438 -15.492 6.367 120 HA TYR 21 HA TYR 21 42.765 -15.544 3.611 121 HB2 TYR 21 HB2 TYR 21 42.666 -13.441 4.782 122 HB3 TYR 21 HB1 TYR 21 44.128 -13.821 5.691 123 HD1 TYR 21 HD1 TYR 21 46.327 -14.018 4.491 124 HD2 TYR 21 HD2 TYR 21 42.776 -12.567 2.558 125 HE1 TYR 21 HE1 TYR 21 47.711 -13.048 2.676 126 HE2 TYR 21 HE2 TYR 21 44.160 -11.597 0.743 127 HH TYR 21 HH TYR 21 47.715 -11.913 0.776 128 H THR 22 HN THR 22 45.104 -16.269 6.163 129 HA THR 22 HA THR 22 47.361 -16.529 4.447 130 HB THR 22 HB THR 22 48.353 -17.762 6.395 131 HG1 THR 22 HG1 THR 22 47.033 -18.542 7.803 132 HG21 THR 22 HG21 THR 22 48.181 -15.799 7.961 133 HG22 THR 22 HG22 THR 22 46.937 -15.133 6.902 134 HG23 THR 22 HG23 THR 22 48.581 -15.358 6.301 135 H ASP 23 HN ASP 23 44.654 -18.533 5.089 136 HA ASP 23 HA ASP 23 46.015 -20.954 4.146 137 HB2 ASP 23 HB2 ASP 23 43.815 -20.426 5.890 138 HB3 ASP 23 HB1 ASP 23 43.230 -21.386 4.532 139 H TRP 24 HN TRP 24 43.235 -18.893 3.310 140 HA TRP 24 HA TRP 24 42.267 -20.149 1.077 141 HB2 TRP 24 HB2 TRP 24 41.045 -18.263 1.493 142 HB3 TRP 24 HB1 TRP 24 42.464 -17.311 1.930 143 HD1 TRP 24 HD1 TRP 24 40.640 -18.684 -1.167 144 HE1 TRP 24 HE1 TRP 24 41.238 -17.197 -3.187 145 HE3 TRP 24 HE3 TRP 24 44.107 -15.614 0.989 146 HZ2 TRP 24 HZ2 TRP 24 42.959 -14.998 -3.807 147 HZ3 TRP 24 HZ3 TRP 24 45.209 -13.835 -0.339 148 HH2 TRP 24 HH2 TRP 24 44.639 -13.523 -2.732 149 H LYS 25 HN LYS 25 44.899 -17.734 1.090 150 HA LYS 25 HA LYS 25 45.546 -17.803 -1.606 151 HB2 LYS 25 HB2 LYS 25 46.504 -16.236 0.097 152 HB3 LYS 25 HB1 LYS 25 47.529 -17.555 0.666 153 HG2 LYS 25 HG2 LYS 25 48.530 -17.764 -1.571 154 HG3 LYS 25 HG1 LYS 25 47.488 -16.472 -2.167 155 HD2 LYS 25 HD2 LYS 25 48.539 -14.849 -0.750 156 HD3 LYS 25 HD1 LYS 25 49.398 -16.099 0.150 157 HE2 LYS 25 HE2 LYS 25 50.971 -16.403 -1.498 158 HE3 LYS 25 HE1 LYS 25 49.841 -16.014 -2.795 159 HZ1 LYS 25 HZ1 LYS 25 50.712 -13.940 -0.888 160 HZ2 LYS 25 HZ2 LYS 25 50.101 -13.756 -2.462 161 HZ3 LYS 25 HZ3 LYS 25 51.678 -14.339 -2.223 162 H SER 26 HN SER 26 46.080 -20.192 0.838 163 HA SER 26 HA SER 26 48.038 -21.643 -0.782 164 HB2 SER 26 HB2 SER 26 47.464 -21.478 1.990 165 HB3 SER 26 HB1 SER 26 47.138 -23.135 1.492 166 HG SER 26 HG SER 26 49.516 -21.661 1.436 167 H SER 27 HN SER 27 44.817 -22.211 0.643 168 HA SER 27 HA SER 27 44.454 -24.602 -0.974 169 HB2 SER 27 HB2 SER 27 42.583 -23.195 0.944 170 HB3 SER 27 HB1 SER 27 42.273 -24.749 0.175 171 HG SER 27 HG SER 27 43.176 -25.020 2.244 172 H GLY 28 HN GLY 28 44.495 -21.575 -1.880 173 HA2 GLY 28 HA2 GLY 28 41.909 -21.347 -3.189 174 HA3 GLY 28 HA1 GLY 28 43.243 -20.200 -3.294 175 H ALA 29 HN ALA 29 44.399 -23.295 -3.790 176 HA ALA 29 HA ALA 29 44.454 -22.862 -6.704 177 HB1 ALA 29 HB1 ALA 29 46.124 -24.949 -5.382 178 HB2 ALA 29 HB2 ALA 29 46.549 -23.259 -5.112 179 HB3 ALA 29 HB3 ALA 29 46.502 -23.906 -6.752 180 H LEU 30 HN LEU 30 42.624 -24.475 -4.538 181 HA LEU 30 HA LEU 30 42.001 -26.603 -6.484 182 HB2 LEU 30 HB2 LEU 30 41.681 -28.201 -4.648 183 HB3 LEU 30 HB1 LEU 30 43.341 -27.603 -4.673 184 HG LEU 30 HG LEU 30 42.052 -25.756 -3.069 185 HD11 LEU 30 HD11 LEU 30 40.060 -27.308 -3.092 186 HD12 LEU 30 HD12 LEU 30 40.707 -26.986 -1.484 187 HD13 LEU 30 HD13 LEU 30 41.067 -28.513 -2.290 188 HD21 LEU 30 HD21 LEU 30 44.262 -26.758 -2.669 189 HD22 LEU 30 HD22 LEU 30 43.504 -28.300 -2.273 190 HD23 LEU 30 HD23 LEU 30 43.259 -26.904 -1.225 191 H ILE 31 HN ILE 31 40.944 -23.952 -4.890 192 HA ILE 31 HA ILE 31 38.329 -24.848 -4.091 193 HB ILE 31 HB ILE 31 39.722 -22.203 -4.228 194 HG12 ILE 31 HG12 ILE 31 38.076 -23.493 -2.043 195 HG13 ILE 31 HG11 ILE 31 39.792 -23.833 -2.267 196 HG21 ILE 31 HG21 ILE 31 37.471 -21.264 -3.370 197 HG22 ILE 31 HG22 ILE 31 36.743 -22.681 -4.126 198 HG23 ILE 31 HG23 ILE 31 37.635 -21.515 -5.107 199 HD11 ILE 31 HD11 ILE 31 38.800 -21.777 -0.740 200 HD12 ILE 31 HD12 ILE 31 39.129 -20.964 -2.269 201 HD13 ILE 31 HD13 ILE 31 40.422 -21.819 -1.430 202 HA PRO 32 HA PRO 32 37.300 -22.513 -8.303 203 HB2 PRO 32 HB2 PRO 32 39.414 -23.804 -9.944 204 HB3 PRO 32 HB1 PRO 32 38.795 -22.144 -10.002 205 HG2 PRO 32 HG2 PRO 32 41.195 -22.710 -8.989 206 HG3 PRO 32 HG1 PRO 32 40.173 -21.426 -8.316 207 HD2 PRO 32 HD2 PRO 32 40.709 -24.168 -7.240 208 HD3 PRO 32 HD1 PRO 32 40.467 -22.640 -6.367 209 H ALA 33 HN ALA 33 38.917 -25.691 -8.518 210 HA ALA 33 HA ALA 33 37.375 -27.005 -10.335 211 HB1 ALA 33 HB1 ALA 33 38.581 -27.952 -7.746 212 HB2 ALA 33 HB2 ALA 33 39.132 -28.250 -9.394 213 HB3 ALA 33 HB3 ALA 33 37.686 -29.057 -8.788 214 H ILE 34 HN ILE 34 36.676 -27.309 -6.848 215 HA ILE 34 HA ILE 34 34.159 -28.404 -7.033 216 HB ILE 34 HB ILE 34 35.481 -26.635 -5.014 217 HG12 ILE 34 HG12 ILE 34 35.665 -29.248 -5.414 218 HG13 ILE 34 HG11 ILE 34 35.623 -28.595 -3.778 219 HG21 ILE 34 HG21 ILE 34 33.291 -25.788 -4.769 220 HG22 ILE 34 HG22 ILE 34 33.369 -27.091 -3.585 221 HG23 ILE 34 HG23 ILE 34 32.550 -27.349 -5.125 222 HD11 ILE 34 HD11 ILE 34 34.041 -30.572 -4.328 223 HD12 ILE 34 HD12 ILE 34 33.082 -29.382 -5.207 224 HD13 ILE 34 HD13 ILE 34 33.356 -29.190 -3.475 225 H TYR 35 HN TYR 35 34.906 -24.924 -6.755 226 HA TYR 35 HA TYR 35 32.430 -23.805 -6.884 227 HB2 TYR 35 HB2 TYR 35 35.108 -22.987 -7.614 228 HB3 TYR 35 HB1 TYR 35 33.920 -22.293 -8.718 229 HD1 TYR 35 HD1 TYR 35 34.599 -22.815 -5.074 230 HD2 TYR 35 HD2 TYR 35 32.641 -20.433 -8.065 231 HE1 TYR 35 HE1 TYR 35 33.934 -21.176 -3.335 232 HE2 TYR 35 HE2 TYR 35 31.976 -18.795 -6.325 233 HH TYR 35 HH TYR 35 32.639 -19.391 -2.893 234 H MET 36 HN MET 36 34.372 -24.407 -9.819 235 HA MET 36 HA MET 36 32.506 -23.905 -11.749 236 HB2 MET 36 HB2 MET 36 34.873 -25.649 -11.552 237 HB3 MET 36 HB1 MET 36 33.724 -26.101 -12.813 238 HG2 MET 36 HG2 MET 36 35.431 -24.479 -13.627 239 HG3 MET 36 HG1 MET 36 33.792 -23.839 -13.733 240 HE1 MET 36 HE1 MET 36 34.345 -21.373 -13.836 241 HE2 MET 36 HE2 MET 36 34.115 -20.564 -12.287 242 HE3 MET 36 HE3 MET 36 32.987 -21.820 -12.793 243 H LEU 37 HN LEU 37 33.140 -27.214 -10.560 244 HA LEU 37 HA LEU 37 30.951 -28.451 -11.718 245 HB2 LEU 37 HB2 LEU 37 32.776 -29.683 -10.633 246 HB3 LEU 37 HB1 LEU 37 32.237 -29.104 -9.057 247 HG LEU 37 HG LEU 37 30.082 -30.331 -10.623 248 HD11 LEU 37 HD11 LEU 37 31.846 -31.780 -11.447 249 HD12 LEU 37 HD12 LEU 37 30.934 -32.661 -10.220 250 HD13 LEU 37 HD13 LEU 37 32.506 -31.967 -9.821 251 HD21 LEU 37 HD21 LEU 37 30.004 -29.725 -8.200 252 HD22 LEU 37 HD22 LEU 37 31.245 -30.938 -7.886 253 HD23 LEU 37 HD23 LEU 37 29.660 -31.432 -8.480 254 H VAL 38 HN VAL 38 31.063 -26.359 -8.944 255 HA VAL 38 HA VAL 38 28.261 -27.019 -8.284 256 HB VAL 38 HB VAL 38 30.346 -25.504 -6.696 257 HG11 VAL 38 HG11 VAL 38 27.416 -25.937 -6.378 258 HG12 VAL 38 HG12 VAL 38 28.420 -24.593 -5.832 259 HG13 VAL 38 HG13 VAL 38 28.405 -26.107 -4.928 260 HG21 VAL 38 HG21 VAL 38 30.785 -27.918 -6.823 261 HG22 VAL 38 HG22 VAL 38 29.118 -28.261 -6.365 262 HG23 VAL 38 HG23 VAL 38 30.209 -27.495 -5.210 263 H PHE 39 HN PHE 39 29.741 -25.050 -10.330 264 HA PHE 39 HA PHE 39 28.002 -22.726 -9.745 265 HB2 PHE 39 HB2 PHE 39 30.486 -22.309 -9.733 266 HB3 PHE 39 HB1 PHE 39 30.499 -22.737 -11.444 267 HD1 PHE 39 HD2 PHE 39 28.998 -20.393 -8.963 268 HD2 PHE 39 HD1 PHE 39 29.829 -21.182 -13.103 269 HE1 PHE 39 HE2 PHE 39 28.280 -18.091 -9.546 270 HE2 PHE 39 HE1 PHE 39 29.111 -18.880 -13.685 271 HZ PHE 39 HZ PHE 39 28.336 -17.336 -11.907 272 H LEU 40 HN LEU 40 28.827 -25.202 -12.018 273 HA LEU 40 HA LEU 40 27.142 -23.939 -14.082 274 HB2 LEU 40 HB2 LEU 40 28.138 -25.590 -15.623 275 HB3 LEU 40 HB1 LEU 40 29.369 -24.601 -14.841 276 HG LEU 40 HG LEU 40 29.087 -26.695 -13.065 277 HD11 LEU 40 HD11 LEU 40 29.179 -28.745 -14.435 278 HD12 LEU 40 HD12 LEU 40 28.915 -27.789 -15.892 279 HD13 LEU 40 HD13 LEU 40 27.647 -27.905 -14.672 280 HD21 LEU 40 HD21 LEU 40 31.200 -25.685 -13.878 281 HD22 LEU 40 HD22 LEU 40 30.984 -26.494 -15.429 282 HD23 LEU 40 HD23 LEU 40 31.260 -27.445 -13.970 283 H LEU 41 HN LEU 41 26.796 -25.964 -11.549 284 HA LEU 41 HA LEU 41 24.970 -27.815 -12.931 285 HB2 LEU 41 HB2 LEU 41 26.673 -27.984 -10.569 286 HB3 LEU 41 HB1 LEU 41 25.035 -28.555 -10.263 287 HG LEU 41 HG LEU 41 26.709 -29.445 -12.629 288 HD11 LEU 41 HD11 LEU 41 26.326 -31.575 -10.827 289 HD12 LEU 41 HD12 LEU 41 26.841 -30.208 -9.838 290 HD13 LEU 41 HD13 LEU 41 27.842 -30.749 -11.186 291 HD21 LEU 41 HD21 LEU 41 24.814 -30.461 -13.309 292 HD22 LEU 41 HD22 LEU 41 23.945 -29.691 -11.982 293 HD23 LEU 41 HD23 LEU 41 24.673 -31.281 -11.755 294 H GLY 42 HN GLY 42 24.989 -26.061 -9.810 295 HA2 GLY 42 HA2 GLY 42 22.059 -25.866 -9.991 296 HA3 GLY 42 HA1 GLY 42 23.012 -25.680 -8.526 297 H THR 43 HN THR 43 24.433 -24.028 -11.116 298 HA THR 43 HA THR 43 23.006 -21.527 -10.454 299 HB THR 43 HB THR 43 25.838 -21.099 -10.958 300 HG1 THR 43 HG1 THR 43 25.198 -22.400 -8.543 301 HG21 THR 43 HG21 THR 43 24.152 -20.489 -8.522 302 HG22 THR 43 HG22 THR 43 24.120 -19.512 -9.989 303 HG23 THR 43 HG23 THR 43 25.609 -19.651 -9.055 304 H THR 44 HN THR 44 22.854 -23.359 -12.744 305 HA THR 44 HA THR 44 23.502 -21.397 -14.846 306 HB THR 44 HB THR 44 24.276 -24.289 -14.725 307 HG1 THR 44 HG1 THR 44 25.660 -22.344 -14.440 308 HG21 THR 44 HG21 THR 44 23.424 -22.740 -17.168 309 HG22 THR 44 HG22 THR 44 22.996 -24.388 -16.704 310 HG23 THR 44 HG23 THR 44 24.623 -24.028 -17.280 311 H GLY 45 HN GLY 45 21.753 -24.399 -14.069 312 HA2 GLY 45 HA2 GLY 45 19.617 -23.583 -15.941 313 HA3 GLY 45 HA1 GLY 45 19.904 -25.229 -15.383 314 H ASN 46 HN ASN 46 20.382 -23.326 -12.760 315 HA ASN 46 HA ASN 46 17.643 -23.804 -11.789 316 HB2 ASN 46 HB2 ASN 46 20.334 -23.746 -10.527 317 HB3 ASN 46 HB1 ASN 46 18.982 -23.166 -9.556 318 HD21 ASN 46 HD21 ASN 46 20.461 -26.014 -10.950 319 HD22 ASN 46 HD22 ASN 46 19.350 -27.134 -10.322 320 H GLY 47 HN GLY 47 20.232 -21.373 -11.377 321 HA2 GLY 47 HA2 GLY 47 18.694 -19.339 -10.277 322 HA3 GLY 47 HA1 GLY 47 20.145 -19.077 -11.239 323 H LEU 48 HN LEU 48 19.342 -20.041 -13.702 324 HA LEU 48 HA LEU 48 17.991 -17.847 -14.804 325 HB2 LEU 48 HB2 LEU 48 19.427 -19.206 -16.188 326 HB3 LEU 48 HB1 LEU 48 18.447 -20.637 -15.886 327 HG LEU 48 HG LEU 48 16.581 -19.702 -17.118 328 HD11 LEU 48 HD11 LEU 48 16.566 -17.401 -16.614 329 HD12 LEU 48 HD12 LEU 48 17.056 -17.431 -18.308 330 HD13 LEU 48 HD13 LEU 48 18.264 -17.203 -17.044 331 HD21 LEU 48 HD21 LEU 48 19.237 -19.334 -18.529 332 HD22 LEU 48 HD22 LEU 48 17.680 -19.343 -19.358 333 HD23 LEU 48 HD23 LEU 48 18.236 -20.786 -18.510 334 H VAL 49 HN VAL 49 16.813 -21.156 -14.183 335 HA VAL 49 HA VAL 49 14.169 -20.747 -15.036 336 HB VAL 49 HB VAL 49 15.467 -22.683 -13.139 337 HG11 VAL 49 HG11 VAL 49 13.368 -22.527 -12.097 338 HG12 VAL 49 HG12 VAL 49 13.122 -23.825 -13.266 339 HG13 VAL 49 HG13 VAL 49 12.533 -22.200 -13.616 340 HG21 VAL 49 HG21 VAL 49 13.821 -23.441 -15.507 341 HG22 VAL 49 HG22 VAL 49 15.324 -24.145 -14.912 342 HG23 VAL 49 HG23 VAL 49 15.359 -22.638 -15.828 343 H LEU 50 HN LEU 50 15.195 -21.070 -11.633 344 HA LEU 50 HA LEU 50 12.939 -20.131 -10.396 345 HB2 LEU 50 HB2 LEU 50 15.784 -19.515 -9.557 346 HB3 LEU 50 HB1 LEU 50 14.366 -19.495 -8.511 347 HG LEU 50 HG LEU 50 15.393 -21.925 -10.012 348 HD11 LEU 50 HD11 LEU 50 15.406 -21.449 -7.026 349 HD12 LEU 50 HD12 LEU 50 16.783 -21.037 -8.048 350 HD13 LEU 50 HD13 LEU 50 16.242 -22.711 -7.929 351 HD21 LEU 50 HD21 LEU 50 13.756 -22.958 -8.193 352 HD22 LEU 50 HD22 LEU 50 13.130 -22.375 -9.734 353 HD23 LEU 50 HD23 LEU 50 12.998 -21.369 -8.292 354 H TRP 51 HN TRP 51 15.325 -18.298 -12.153 355 HA TRP 51 HA TRP 51 14.438 -15.726 -11.173 356 HB2 TRP 51 HB2 TRP 51 16.738 -15.927 -11.856 357 HB3 TRP 51 HB1 TRP 51 16.266 -16.534 -13.443 358 HD1 TRP 51 HD1 TRP 51 16.513 -13.354 -11.390 359 HE1 TRP 51 HE1 TRP 51 16.134 -11.323 -12.931 360 HE3 TRP 51 HE3 TRP 51 15.049 -15.744 -15.658 361 HZ2 TRP 51 HZ2 TRP 51 15.319 -10.781 -15.619 362 HZ3 TRP 51 HZ3 TRP 51 14.477 -14.448 -17.691 363 HH2 TRP 51 HH2 TRP 51 14.611 -11.972 -17.676 364 H THR 52 HN THR 52 14.148 -17.534 -14.229 365 HA THR 52 HA THR 52 12.543 -15.610 -15.552 366 HB THR 52 HB THR 52 13.095 -18.533 -15.963 367 HG1 THR 52 HG1 THR 52 13.348 -16.678 -17.971 368 HG21 THR 52 HG21 THR 52 10.955 -16.846 -17.242 369 HG22 THR 52 HG22 THR 52 10.854 -18.509 -16.662 370 HG23 THR 52 HG23 THR 52 11.734 -18.145 -18.147 371 H VAL 53 HN VAL 53 11.769 -18.426 -13.555 372 HA VAL 53 HA VAL 53 8.985 -18.434 -13.975 373 HB VAL 53 HB VAL 53 10.765 -19.459 -11.781 374 HG11 VAL 53 HG11 VAL 53 7.759 -19.262 -11.837 375 HG12 VAL 53 HG12 VAL 53 8.862 -18.938 -10.501 376 HG13 VAL 53 HG13 VAL 53 8.553 -20.599 -11.005 377 HG21 VAL 53 HG21 VAL 53 10.246 -20.479 -14.195 378 HG22 VAL 53 HG22 VAL 53 8.809 -21.077 -13.365 379 HG23 VAL 53 HG23 VAL 53 10.414 -21.517 -12.779 380 H PHE 54 HN PHE 54 10.973 -16.878 -11.474 381 HA PHE 54 HA PHE 54 8.904 -15.770 -9.950 382 HB2 PHE 54 HB2 PHE 54 11.761 -15.522 -10.126 383 HB3 PHE 54 HB1 PHE 54 11.042 -13.920 -9.959 384 HD1 PHE 54 HD1 PHE 54 9.198 -13.645 -8.140 385 HD2 PHE 54 HD2 PHE 54 12.006 -16.895 -8.236 386 HE1 PHE 54 HE1 PHE 54 8.777 -14.080 -5.735 387 HE2 PHE 54 HE2 PHE 54 11.585 -17.330 -5.832 388 HZ PHE 54 HZ PHE 54 9.970 -15.924 -4.581 389 H ARG 55 HN ARG 55 9.873 -15.057 -13.126 390 HA ARG 55 HA ARG 55 8.540 -12.417 -13.043 391 HB2 ARG 55 HB2 ARG 55 10.772 -13.540 -14.678 392 HB3 ARG 55 HB1 ARG 55 9.719 -12.336 -15.418 393 HG2 ARG 55 HG2 ARG 55 10.402 -10.656 -13.989 394 HG3 ARG 55 HG1 ARG 55 10.732 -11.771 -12.664 395 HD2 ARG 55 HD2 ARG 55 12.420 -11.948 -15.129 396 HD3 ARG 55 HD1 ARG 55 12.719 -10.634 -13.995 397 HE ARG 55 HE ARG 55 13.409 -13.374 -13.608 398 HH11 ARG 55 HH21 ARG 55 12.228 -10.538 -12.017 399 HH12 ARG 55 HH22 ARG 55 12.836 -10.990 -10.459 400 HH21 ARG 55 HH11 ARG 55 14.203 -13.977 -11.567 401 HH22 ARG 55 HH12 ARG 55 13.953 -12.937 -10.205 402 H LYS 56 HN LYS 56 7.806 -15.519 -13.656 403 HA LYS 56 HA LYS 56 5.988 -14.825 -15.887 404 HB2 LYS 56 HB2 LYS 56 6.461 -16.767 -16.949 405 HB3 LYS 56 HB1 LYS 56 7.937 -16.717 -15.991 406 HG2 LYS 56 HG2 LYS 56 6.688 -18.033 -14.200 407 HG3 LYS 56 HG1 LYS 56 5.392 -18.252 -15.377 408 HD2 LYS 56 HD2 LYS 56 8.220 -18.983 -16.114 409 HD3 LYS 56 HD1 LYS 56 7.231 -20.095 -15.172 410 HE2 LYS 56 HE2 LYS 56 5.480 -20.011 -16.917 411 HE3 LYS 56 HE1 LYS 56 6.488 -18.920 -17.867 412 HZ1 LYS 56 HZ1 LYS 56 7.099 -21.720 -17.108 413 HZ2 LYS 56 HZ2 LYS 56 8.225 -20.671 -17.826 414 HZ3 LYS 56 HZ3 LYS 56 6.819 -21.118 -18.668 415 H LYS 57 HN LYS 57 6.357 -16.217 -12.723 416 HA LYS 57 HA LYS 57 3.504 -16.945 -12.650 417 HB2 LYS 57 HB2 LYS 57 5.379 -18.537 -11.877 418 HB3 LYS 57 HB1 LYS 57 5.508 -17.483 -10.468 419 HG2 LYS 57 HG2 LYS 57 2.871 -17.791 -10.417 420 HG3 LYS 57 HG1 LYS 57 3.255 -19.272 -11.298 421 HD2 LYS 57 HD2 LYS 57 4.865 -19.891 -9.504 422 HD3 LYS 57 HD1 LYS 57 4.390 -18.447 -8.608 423 HE2 LYS 57 HE2 LYS 57 2.672 -19.593 -7.719 424 HE3 LYS 57 HE1 LYS 57 1.995 -19.790 -9.335 425 HZ1 LYS 57 HZ1 LYS 57 3.831 -21.651 -9.440 426 HZ2 LYS 57 HZ2 LYS 57 2.295 -21.954 -8.782 427 HZ3 LYS 57 HZ3 LYS 57 3.614 -21.642 -7.758 428 H GLY 58 HN GLY 58 5.907 -14.820 -11.224 429 HA2 GLY 58 HA2 GLY 58 4.104 -13.781 -9.210 430 HA3 GLY 58 HA1 GLY 58 5.723 -13.191 -9.573 431 H HIS 59 HN HIS 59 5.129 -12.943 -12.451 432 HA HIS 59 HA HIS 59 4.324 -10.251 -12.517 433 HB2 HIS 59 HB2 HIS 59 5.098 -10.419 -14.611 434 HB3 HIS 59 HB1 HIS 59 5.313 -12.151 -14.355 435 HD2 HIS 59 HD2 HIS 59 3.012 -13.746 -15.192 436 HE1 HIS 59 HE1 HIS 59 1.378 -10.673 -17.580 437 HE2 HIS 59 HE2 HIS 59 1.254 -13.148 -17.027 438 H HIS 60 HN HIS 60 2.486 -13.094 -12.222 439 HA HIS 60 HA HIS 60 0.016 -11.554 -12.667 440 HB2 HIS 60 HB2 HIS 60 0.365 -12.893 -14.691 441 HB3 HIS 60 HB1 HIS 60 0.533 -14.349 -13.710 442 HD2 HIS 60 HD2 HIS 60 -2.275 -12.177 -12.307 443 HE1 HIS 60 HE1 HIS 60 -4.144 -14.965 -14.869 444 HE2 HIS 60 HE2 HIS 60 -4.546 -13.213 -13.076 445 H HIS 61 HN HIS 61 -0.363 -11.396 -10.467 446 HA HIS 61 HA HIS 61 -0.188 -13.628 -8.686 447 HB2 HIS 61 HB2 HIS 61 -0.242 -10.977 -8.278 448 HB3 HIS 61 HB1 HIS 61 -1.950 -11.330 -8.014 449 HD2 HIS 61 HD2 HIS 61 1.540 -12.356 -6.447 450 HE1 HIS 61 HE1 HIS 61 -1.527 -13.443 -3.755 451 HE2 HIS 61 HE2 HIS 61 0.988 -13.302 -4.076 452 H HIS 62 HN HIS 62 -2.729 -13.054 -7.317 453 HA HIS 62 HA HIS 62 -4.362 -14.967 -8.748 454 HB2 HIS 62 HB2 HIS 62 -4.165 -15.047 -6.290 455 HB3 HIS 62 HB1 HIS 62 -4.916 -13.453 -6.185 456 HD2 HIS 62 HD2 HIS 62 -5.975 -17.155 -6.546 457 HE1 HIS 62 HE1 HIS 62 -9.446 -14.827 -7.140 458 HE2 HIS 62 HE2 HIS 62 -8.574 -17.187 -6.789 459 H HIS 63 HN HIS 63 -5.548 -12.047 -7.138 460 HA HIS 63 HA HIS 63 -7.278 -11.542 -9.460 461 HB2 HIS 63 HB2 HIS 63 -7.984 -11.656 -6.896 462 HB3 HIS 63 HB1 HIS 63 -7.500 -9.961 -6.942 463 HD2 HIS 63 HD2 HIS 63 -10.151 -12.304 -8.733 464 HE1 HIS 63 HE1 HIS 63 -11.271 -8.277 -9.326 465 HE2 HIS 63 HE2 HIS 63 -11.972 -10.691 -9.684 466 H HIS 64 HN HIS 64 -4.603 -10.917 -9.875 467 HA HIS 64 HA HIS 64 -3.173 -9.209 -10.462 468 HB2 HIS 64 HB2 HIS 64 -4.999 -8.867 -12.088 469 HB3 HIS 64 HB1 HIS 64 -5.806 -7.794 -10.943 470 HD2 HIS 64 HD2 HIS 64 -5.227 -5.810 -13.117 471 HE1 HIS 64 HE1 HIS 64 -1.230 -5.344 -11.839 472 HE2 HIS 64 HE2 HIS 64 -3.066 -4.354 -13.287 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 43.260 -22.007 36.831 2 H2 MET 1 HT2 MET 1 43.341 -23.678 37.127 3 H3 MET 1 HT3 MET 1 42.022 -23.026 36.276 4 HA MET 1 HA MET 1 44.509 -23.928 35.283 5 HB2 MET 1 HB2 MET 1 42.110 -22.710 33.884 6 HB3 MET 1 HB1 MET 1 43.325 -23.762 33.159 7 HG2 MET 1 HG2 MET 1 42.671 -25.579 34.701 8 HG3 MET 1 HG1 MET 1 41.444 -24.529 35.410 9 HE1 MET 1 HE1 MET 1 40.732 -26.905 34.916 10 HE2 MET 1 HE2 MET 1 40.332 -27.574 33.337 11 HE3 MET 1 HE3 MET 1 39.142 -26.606 34.203 12 H GLU 2 HN GLU 2 45.470 -22.773 33.310 13 HA GLU 2 HA GLU 2 46.064 -20.000 34.100 14 HB2 GLU 2 HB2 GLU 2 47.565 -22.139 32.656 15 HB3 GLU 2 HB1 GLU 2 47.920 -20.457 32.258 16 HG2 GLU 2 HG2 GLU 2 47.759 -21.263 35.142 17 HG3 GLU 2 HG1 GLU 2 49.214 -21.654 34.225 18 H GLU 3 HN GLU 3 45.762 -18.292 32.733 19 HA GLU 3 HA GLU 3 44.601 -17.116 31.116 20 HB2 GLU 3 HB2 GLU 3 45.673 -19.124 29.155 21 HB3 GLU 3 HB1 GLU 3 45.527 -17.374 28.988 22 HG2 GLU 3 HG2 GLU 3 47.192 -17.385 31.060 23 HG3 GLU 3 HG1 GLU 3 47.608 -18.975 30.421 24 H GLY 4 HN GLY 4 43.428 -17.766 28.749 25 HA2 GLY 4 HA2 GLY 4 41.761 -20.081 28.868 26 HA3 GLY 4 HA1 GLY 4 40.897 -18.651 29.426 27 H GLY 5 HN GLY 5 41.067 -16.712 27.930 28 HA2 GLY 5 HA2 GLY 5 40.351 -17.578 25.249 29 HA3 GLY 5 HA1 GLY 5 40.212 -15.946 25.896 30 H ASP 6 HN ASP 6 41.129 -15.917 23.466 31 HA ASP 6 HA ASP 6 43.974 -15.276 23.774 32 HB2 ASP 6 HB2 ASP 6 43.141 -16.746 21.303 33 HB3 ASP 6 HB1 ASP 6 44.734 -16.621 22.048 34 H PHE 7 HN PHE 7 41.787 -13.529 23.665 35 HA PHE 7 HA PHE 7 41.134 -12.569 21.106 36 HB2 PHE 7 HB2 PHE 7 41.007 -11.541 23.876 37 HB3 PHE 7 HB1 PHE 7 41.036 -10.314 22.609 38 HD1 PHE 7 HD1 PHE 7 39.223 -13.277 23.903 39 HD2 PHE 7 HD2 PHE 7 39.190 -10.030 21.091 40 HE1 PHE 7 HE1 PHE 7 36.836 -13.731 23.407 41 HE2 PHE 7 HE2 PHE 7 36.803 -10.484 20.595 42 HZ PHE 7 HZ PHE 7 35.626 -12.335 21.753 43 H ASP 8 HN ASP 8 42.683 -12.143 19.639 44 HA ASP 8 HA ASP 8 44.596 -10.018 20.266 45 HB2 ASP 8 HB2 ASP 8 45.319 -12.799 20.012 46 HB3 ASP 8 HB1 ASP 8 46.058 -11.857 18.718 47 H ASN 9 HN ASN 9 43.256 -12.221 17.835 48 HA ASN 9 HA ASN 9 42.863 -11.972 15.586 49 HB2 ASN 9 HB2 ASN 9 41.174 -10.460 16.526 50 HB3 ASN 9 HB1 ASN 9 42.335 -9.134 16.487 51 HD21 ASN 9 HD21 ASN 9 39.943 -8.881 15.013 52 HD22 ASN 9 HD22 ASN 9 40.296 -8.971 13.356 53 H TYR 10 HN TYR 10 44.005 -8.656 15.987 54 HA TYR 10 HA TYR 10 45.745 -8.858 13.744 55 HB2 TYR 10 HB2 TYR 10 44.593 -6.758 14.549 56 HB3 TYR 10 HB1 TYR 10 45.766 -6.707 15.865 57 HD1 TYR 10 HD2 TYR 10 45.487 -6.833 12.141 58 HD2 TYR 10 HD1 TYR 10 47.921 -5.806 15.528 59 HE1 TYR 10 HE2 TYR 10 47.138 -5.763 10.631 60 HE2 TYR 10 HE1 TYR 10 49.572 -4.737 14.017 61 HH TYR 10 HH TYR 10 49.103 -3.679 11.238 62 H TYR 11 HN TYR 11 46.391 -10.848 15.649 63 HA TYR 11 HA TYR 11 49.204 -10.545 15.793 64 HB2 TYR 11 HB2 TYR 11 48.064 -9.162 17.818 65 HB3 TYR 11 HB1 TYR 11 48.168 -10.758 18.562 66 HD1 TYR 11 HD2 TYR 11 50.121 -8.041 16.964 67 HD2 TYR 11 HD1 TYR 11 50.285 -11.737 19.146 68 HE1 TYR 11 HE2 TYR 11 52.546 -7.703 17.356 69 HE2 TYR 11 HE1 TYR 11 52.710 -11.399 19.538 70 HH TYR 11 HH TYR 11 54.297 -9.425 19.633 71 H GLY 12 HN GLY 12 47.339 -12.433 14.819 72 HA2 GLY 12 HA2 GLY 12 48.419 -14.852 15.303 73 HA3 GLY 12 HA1 GLY 12 47.289 -14.689 16.644 74 H ALA 13 HN ALA 13 46.665 -13.250 13.530 75 HA ALA 13 HA ALA 13 44.573 -15.283 13.022 76 HB1 ALA 13 HB1 ALA 13 44.492 -12.288 12.617 77 HB2 ALA 13 HB2 ALA 13 43.469 -13.256 13.679 78 HB3 ALA 13 HB3 ALA 13 43.304 -13.395 11.929 79 H ASP 14 HN ASP 14 47.077 -13.218 11.719 80 HA ASP 14 HA ASP 14 46.564 -14.131 8.987 81 HB2 ASP 14 HB2 ASP 14 48.502 -12.619 8.445 82 HB3 ASP 14 HB1 ASP 14 47.124 -11.805 9.187 83 H ASN 15 HN ASN 15 48.644 -14.777 11.681 84 HA ASN 15 HA ASN 15 50.867 -15.910 10.423 85 HB2 ASN 15 HB2 ASN 15 49.525 -16.638 13.035 86 HB3 ASN 15 HB1 ASN 15 51.099 -17.250 12.529 87 HD21 ASN 15 HD21 ASN 15 51.553 -15.953 14.720 88 HD22 ASN 15 HD22 ASN 15 52.020 -14.335 14.507 89 H GLN 16 HN GLN 16 47.620 -17.034 10.645 90 HA GLN 16 HA GLN 16 48.312 -19.802 10.039 91 HB2 GLN 16 HB2 GLN 16 46.047 -20.303 10.373 92 HB3 GLN 16 HB1 GLN 16 46.342 -18.994 11.518 93 HG2 GLN 16 HG2 GLN 16 45.616 -17.437 9.556 94 HG3 GLN 16 HG1 GLN 16 44.901 -18.899 8.878 95 HE21 GLN 16 HE21 GLN 16 44.627 -19.643 11.993 96 HE22 GLN 16 HE22 GLN 16 43.154 -18.898 12.386 97 H SER 17 HN SER 17 47.236 -16.905 8.416 98 HA SER 17 HA SER 17 46.360 -18.174 6.006 99 HB2 SER 17 HB2 SER 17 46.409 -15.901 5.065 100 HB3 SER 17 HB1 SER 17 45.604 -15.924 6.632 101 HG SER 17 HG SER 17 47.351 -14.996 7.550 102 H GLU 18 HN GLU 18 49.295 -16.297 6.800 103 HA GLU 18 HA GLU 18 50.701 -16.498 4.471 104 HB2 GLU 18 HB2 GLU 18 52.732 -16.324 5.772 105 HB3 GLU 18 HB1 GLU 18 51.481 -15.361 6.560 106 HG2 GLU 18 HG2 GLU 18 50.991 -17.421 7.990 107 HG3 GLU 18 HG1 GLU 18 52.490 -18.098 7.356 108 H CYS 19 HN CYS 19 49.876 -19.067 6.642 109 HA CYS 19 HA CYS 19 51.817 -20.929 5.548 110 HB2 CYS 19 HB2 CYS 19 49.608 -21.131 7.583 111 HB3 CYS 19 HB1 CYS 19 50.414 -22.572 6.964 112 HG CYS 19 HG CYS 19 52.713 -21.236 7.754 113 H GLU 20 HN GLU 20 48.430 -20.117 5.143 114 HA GLU 20 HA GLU 20 47.951 -22.417 3.411 115 HB2 GLU 20 HB2 GLU 20 46.222 -20.169 4.436 116 HB3 GLU 20 HB1 GLU 20 45.663 -21.283 3.188 117 HG2 GLU 20 HG2 GLU 20 46.800 -22.246 5.818 118 HG3 GLU 20 HG1 GLU 20 45.084 -21.912 5.600 119 H TYR 21 HN TYR 21 48.982 -19.166 3.159 120 HA TYR 21 HA TYR 21 48.027 -18.678 0.487 121 HB2 TYR 21 HB2 TYR 21 48.441 -16.637 1.387 122 HB3 TYR 21 HB1 TYR 21 49.664 -17.262 2.493 123 HD1 TYR 21 HD2 TYR 21 51.992 -17.648 1.708 124 HD2 TYR 21 HD1 TYR 21 49.029 -15.808 -0.799 125 HE1 TYR 21 HE2 TYR 21 53.779 -16.833 0.196 126 HE2 TYR 21 HE1 TYR 21 50.817 -14.992 -2.312 127 HH TYR 21 HH TYR 21 52.998 -15.133 -2.822 128 H THR 22 HN THR 22 51.119 -19.654 1.936 129 HA THR 22 HA THR 22 52.552 -19.750 -0.526 130 HB THR 22 HB THR 22 53.454 -19.673 1.912 131 HG1 THR 22 HG1 THR 22 55.313 -20.237 1.051 132 HG21 THR 22 HG21 THR 22 53.733 -21.686 3.053 133 HG22 THR 22 HG22 THR 22 53.549 -22.656 1.592 134 HG23 THR 22 HG23 THR 22 52.138 -21.905 2.335 135 H ASP 23 HN ASP 23 50.226 -21.795 0.908 136 HA ASP 23 HA ASP 23 51.068 -24.100 -0.725 137 HB2 ASP 23 HB2 ASP 23 50.587 -24.409 1.733 138 HB3 ASP 23 HB1 ASP 23 48.905 -24.011 1.384 139 H TRP 24 HN TRP 24 48.292 -21.997 -0.045 140 HA TRP 24 HA TRP 24 46.346 -23.104 -1.633 141 HB2 TRP 24 HB2 TRP 24 45.642 -21.226 -0.461 142 HB3 TRP 24 HB1 TRP 24 47.034 -20.266 -0.960 143 HD1 TRP 24 HD1 TRP 24 43.959 -21.940 -2.617 144 HE1 TRP 24 HE1 TRP 24 43.167 -20.422 -4.544 145 HE3 TRP 24 HE3 TRP 24 47.517 -18.285 -2.378 146 HZ2 TRP 24 HZ2 TRP 24 43.941 -17.978 -5.815 147 HZ3 TRP 24 HZ3 TRP 24 47.466 -16.376 -3.957 148 HH2 TRP 24 HH2 TRP 24 45.684 -16.218 -5.674 149 H LYS 25 HN LYS 25 48.992 -20.967 -2.662 150 HA LYS 25 HA LYS 25 48.339 -20.568 -5.312 151 HB2 LYS 25 HB2 LYS 25 51.070 -21.084 -4.113 152 HB3 LYS 25 HB1 LYS 25 50.792 -20.432 -5.728 153 HG2 LYS 25 HG2 LYS 25 49.210 -18.942 -3.860 154 HG3 LYS 25 HG1 LYS 25 50.868 -19.011 -3.263 155 HD2 LYS 25 HD2 LYS 25 51.717 -18.164 -5.381 156 HD3 LYS 25 HD1 LYS 25 50.102 -18.218 -6.087 157 HE2 LYS 25 HE2 LYS 25 49.662 -16.165 -5.282 158 HE3 LYS 25 HE1 LYS 25 49.970 -16.732 -3.641 159 HZ1 LYS 25 HZ1 LYS 25 52.405 -16.425 -5.046 160 HZ2 LYS 25 HZ2 LYS 25 51.892 -15.665 -3.616 161 HZ3 LYS 25 HZ3 LYS 25 51.511 -14.984 -5.125 162 H SER 26 HN SER 26 49.856 -23.391 -3.821 163 HA SER 26 HA SER 26 50.059 -24.775 -6.374 164 HB2 SER 26 HB2 SER 26 51.053 -25.183 -3.631 165 HB3 SER 26 HB1 SER 26 50.614 -26.661 -4.483 166 HG SER 26 HG SER 26 52.010 -26.090 -6.129 167 H SER 27 HN SER 27 48.245 -25.095 -3.333 168 HA SER 27 HA SER 27 46.706 -27.339 -4.237 169 HB2 SER 27 HB2 SER 27 46.897 -25.689 -1.826 170 HB3 SER 27 HB1 SER 27 45.249 -26.189 -2.196 171 HG SER 27 HG SER 27 47.538 -27.747 -1.682 172 H GLY 28 HN GLY 28 46.729 -24.315 -5.380 173 HA2 GLY 28 HA2 GLY 28 43.864 -23.829 -5.497 174 HA3 GLY 28 HA1 GLY 28 45.125 -22.838 -6.225 175 H ALA 29 HN ALA 29 46.068 -25.738 -7.161 176 HA ALA 29 HA ALA 29 44.698 -25.530 -9.744 177 HB1 ALA 29 HB1 ALA 29 46.465 -26.843 -10.632 178 HB2 ALA 29 HB2 ALA 29 46.952 -27.407 -9.033 179 HB3 ALA 29 HB3 ALA 29 47.235 -25.730 -9.500 180 H LEU 30 HN LEU 30 43.055 -26.429 -7.699 181 HA LEU 30 HA LEU 30 42.082 -28.868 -8.781 182 HB2 LEU 30 HB2 LEU 30 42.455 -30.349 -6.877 183 HB3 LEU 30 HB1 LEU 30 43.999 -29.794 -7.521 184 HG LEU 30 HG LEU 30 43.351 -27.839 -5.664 185 HD11 LEU 30 HD11 LEU 30 41.513 -29.251 -4.809 186 HD12 LEU 30 HD12 LEU 30 42.796 -29.088 -3.608 187 HD13 LEU 30 HD13 LEU 30 42.651 -30.573 -4.549 188 HD21 LEU 30 HD21 LEU 30 45.580 -28.684 -5.924 189 HD22 LEU 30 HD22 LEU 30 45.079 -30.321 -5.499 190 HD23 LEU 30 HD23 LEU 30 45.107 -29.060 -4.267 191 H ILE 31 HN ILE 31 42.090 -26.456 -6.245 192 HA ILE 31 HA ILE 31 39.599 -27.237 -5.083 193 HB ILE 31 HB ILE 31 41.353 -24.811 -4.856 194 HG12 ILE 31 HG12 ILE 31 40.217 -26.679 -2.762 195 HG13 ILE 31 HG11 ILE 31 41.735 -26.996 -3.605 196 HG21 ILE 31 HG21 ILE 31 39.254 -23.744 -4.766 197 HG22 ILE 31 HG22 ILE 31 39.593 -24.114 -3.076 198 HG23 ILE 31 HG23 ILE 31 38.483 -25.130 -3.994 199 HD11 ILE 31 HD11 ILE 31 41.237 -24.368 -2.208 200 HD12 ILE 31 HD12 ILE 31 42.776 -25.076 -2.695 201 HD13 ILE 31 HD13 ILE 31 41.879 -25.762 -1.341 202 HA PRO 32 HA PRO 32 38.035 -23.558 -7.939 203 HB2 PRO 32 HB2 PRO 32 39.435 -24.368 -10.427 204 HB3 PRO 32 HB1 PRO 32 39.138 -22.745 -9.775 205 HG2 PRO 32 HG2 PRO 32 41.563 -23.855 -9.728 206 HG3 PRO 32 HG1 PRO 32 40.987 -22.801 -8.424 207 HD2 PRO 32 HD2 PRO 32 41.236 -25.785 -8.465 208 HD3 PRO 32 HD1 PRO 32 41.515 -24.648 -7.130 209 H ALA 33 HN ALA 33 38.856 -26.811 -9.002 210 HA ALA 33 HA ALA 33 36.841 -27.288 -10.865 211 HB1 ALA 33 HB1 ALA 33 37.191 -29.623 -9.245 212 HB2 ALA 33 HB2 ALA 33 38.754 -28.828 -9.440 213 HB3 ALA 33 HB3 ALA 33 37.821 -29.301 -10.860 214 H ILE 34 HN ILE 34 36.727 -28.405 -7.474 215 HA ILE 34 HA ILE 34 34.035 -29.044 -7.388 216 HB ILE 34 HB ILE 34 36.019 -28.182 -5.315 217 HG12 ILE 34 HG12 ILE 34 35.634 -30.548 -6.447 218 HG13 ILE 34 HG11 ILE 34 35.997 -30.428 -4.727 219 HG21 ILE 34 HG21 ILE 34 34.137 -28.780 -3.636 220 HG22 ILE 34 HG22 ILE 34 33.033 -28.436 -4.968 221 HG23 ILE 34 HG23 ILE 34 34.109 -27.175 -4.363 222 HD11 ILE 34 HD11 ILE 34 33.145 -30.400 -5.715 223 HD12 ILE 34 HD12 ILE 34 33.748 -30.789 -4.105 224 HD13 ILE 34 HD13 ILE 34 33.999 -31.917 -5.437 225 H TYR 35 HN TYR 35 35.590 -25.911 -6.856 226 HA TYR 35 HA TYR 35 33.331 -24.487 -5.976 227 HB2 TYR 35 HB2 TYR 35 36.024 -23.891 -6.780 228 HB3 TYR 35 HB1 TYR 35 34.921 -22.735 -7.527 229 HD1 TYR 35 HD1 TYR 35 35.802 -24.318 -4.260 230 HD2 TYR 35 HD2 TYR 35 33.946 -20.998 -6.256 231 HE1 TYR 35 HE1 TYR 35 35.550 -23.152 -2.086 232 HE2 TYR 35 HE2 TYR 35 33.694 -19.832 -4.082 233 HH TYR 35 HH TYR 35 33.673 -20.228 -1.777 234 H MET 36 HN MET 36 34.776 -24.461 -9.244 235 HA MET 36 HA MET 36 32.619 -23.151 -10.489 236 HB2 MET 36 HB2 MET 36 34.991 -24.693 -11.386 237 HB3 MET 36 HB1 MET 36 33.674 -24.523 -12.547 238 HG2 MET 36 HG2 MET 36 34.843 -22.180 -11.030 239 HG3 MET 36 HG1 MET 36 35.414 -22.675 -12.623 240 HE1 MET 36 HE1 MET 36 32.965 -20.831 -10.528 241 HE2 MET 36 HE2 MET 36 32.277 -19.773 -11.758 242 HE3 MET 36 HE3 MET 36 34.024 -19.845 -11.547 243 H LEU 37 HN LEU 37 33.475 -26.618 -10.500 244 HA LEU 37 HA LEU 37 31.370 -27.637 -11.940 245 HB2 LEU 37 HB2 LEU 37 33.306 -28.926 -10.946 246 HB3 LEU 37 HB1 LEU 37 32.429 -28.919 -9.415 247 HG LEU 37 HG LEU 37 30.519 -29.733 -11.273 248 HD11 LEU 37 HD11 LEU 37 32.342 -30.048 -12.930 249 HD12 LEU 37 HD12 LEU 37 31.587 -31.579 -12.488 250 HD13 LEU 37 HD13 LEU 37 33.153 -31.140 -11.808 251 HD21 LEU 37 HD21 LEU 37 30.802 -30.605 -8.994 252 HD22 LEU 37 HD22 LEU 37 32.314 -31.381 -9.463 253 HD23 LEU 37 HD23 LEU 37 30.787 -31.938 -10.150 254 H VAL 38 HN VAL 38 31.353 -26.376 -8.681 255 HA VAL 38 HA VAL 38 28.618 -27.303 -8.209 256 HB VAL 38 HB VAL 38 30.632 -25.835 -6.503 257 HG11 VAL 38 HG11 VAL 38 27.687 -26.307 -6.124 258 HG12 VAL 38 HG12 VAL 38 28.641 -24.874 -5.742 259 HG13 VAL 38 HG13 VAL 38 28.760 -26.309 -4.723 260 HG21 VAL 38 HG21 VAL 38 29.235 -28.476 -6.030 261 HG22 VAL 38 HG22 VAL 38 30.684 -27.858 -5.239 262 HG23 VAL 38 HG23 VAL 38 30.749 -28.365 -6.927 263 H PHE 39 HN PHE 39 30.354 -24.467 -9.190 264 HA PHE 39 HA PHE 39 28.272 -22.581 -8.572 265 HB2 PHE 39 HB2 PHE 39 30.905 -22.311 -9.123 266 HB3 PHE 39 HB1 PHE 39 30.223 -21.941 -10.707 267 HD1 PHE 39 HD2 PHE 39 29.835 -21.111 -7.075 268 HD2 PHE 39 HD1 PHE 39 29.343 -19.808 -11.139 269 HE1 PHE 39 HE2 PHE 39 29.198 -18.853 -6.274 270 HE2 PHE 39 HE1 PHE 39 28.705 -17.550 -10.338 271 HZ PHE 39 HZ PHE 39 28.633 -17.071 -7.905 272 H LEU 40 HN LEU 40 29.546 -23.819 -11.675 273 HA LEU 40 HA LEU 40 27.439 -22.774 -13.246 274 HB2 LEU 40 HB2 LEU 40 28.269 -24.304 -14.997 275 HB3 LEU 40 HB1 LEU 40 29.589 -23.430 -14.220 276 HG LEU 40 HG LEU 40 29.341 -25.671 -12.626 277 HD11 LEU 40 HD11 LEU 40 29.097 -27.590 -14.024 278 HD12 LEU 40 HD12 LEU 40 29.151 -26.616 -15.493 279 HD13 LEU 40 HD13 LEU 40 27.745 -26.534 -14.432 280 HD21 LEU 40 HD21 LEU 40 31.103 -25.058 -15.011 281 HD22 LEU 40 HD22 LEU 40 31.380 -26.451 -13.965 282 HD23 LEU 40 HD23 LEU 40 31.471 -24.819 -13.302 283 H LEU 41 HN LEU 41 27.238 -25.027 -10.886 284 HA LEU 41 HA LEU 41 25.280 -26.734 -12.260 285 HB2 LEU 41 HB2 LEU 41 27.113 -27.078 -10.041 286 HB3 LEU 41 HB1 LEU 41 25.470 -27.525 -9.579 287 HG LEU 41 HG LEU 41 26.814 -28.502 -12.112 288 HD11 LEU 41 HD11 LEU 41 27.172 -29.324 -9.349 289 HD12 LEU 41 HD12 LEU 41 28.014 -29.884 -10.795 290 HD13 LEU 41 HD13 LEU 41 26.491 -30.633 -10.315 291 HD21 LEU 41 HD21 LEU 41 24.136 -28.509 -11.236 292 HD22 LEU 41 HD22 LEU 41 24.722 -30.148 -10.958 293 HD23 LEU 41 HD23 LEU 41 24.813 -29.441 -12.571 294 H GLY 42 HN GLY 42 25.515 -24.998 -9.143 295 HA2 GLY 42 HA2 GLY 42 22.586 -24.786 -9.080 296 HA3 GLY 42 HA1 GLY 42 23.676 -24.486 -7.730 297 H THR 43 HN THR 43 24.836 -23.097 -10.570 298 HA THR 43 HA THR 43 23.522 -20.511 -10.019 299 HB THR 43 HB THR 43 26.378 -20.420 -10.793 300 HG1 THR 43 HG1 THR 43 25.416 -21.450 -8.361 301 HG21 THR 43 HG21 THR 43 26.342 -18.432 -9.540 302 HG22 THR 43 HG22 THR 43 24.987 -18.974 -8.549 303 HG23 THR 43 HG23 THR 43 24.719 -18.501 -10.227 304 H THR 44 HN THR 44 23.058 -22.502 -12.095 305 HA THR 44 HA THR 44 23.619 -20.795 -14.431 306 HB THR 44 HB THR 44 24.067 -23.774 -14.211 307 HG1 THR 44 HG1 THR 44 25.784 -21.968 -15.447 308 HG21 THR 44 HG21 THR 44 22.990 -23.704 -16.265 309 HG22 THR 44 HG22 THR 44 24.646 -23.350 -16.756 310 HG23 THR 44 HG23 THR 44 23.480 -22.040 -16.581 311 H GLY 45 HN GLY 45 21.831 -23.676 -13.320 312 HA2 GLY 45 HA2 GLY 45 19.595 -22.931 -15.083 313 HA3 GLY 45 HA1 GLY 45 19.821 -24.498 -14.308 314 H ASN 46 HN ASN 46 20.606 -22.672 -11.861 315 HA ASN 46 HA ASN 46 18.019 -22.848 -10.604 316 HB2 ASN 46 HB2 ASN 46 19.319 -22.998 -8.791 317 HB3 ASN 46 HB1 ASN 46 20.741 -22.620 -9.762 318 HD21 ASN 46 HD21 ASN 46 21.383 -20.326 -9.924 319 HD22 ASN 46 HD22 ASN 46 20.830 -19.198 -8.783 320 H GLY 47 HN GLY 47 20.249 -20.152 -11.317 321 HA2 GLY 47 HA2 GLY 47 18.520 -18.081 -10.515 322 HA3 GLY 47 HA1 GLY 47 19.867 -17.905 -11.636 323 H LEU 48 HN LEU 48 19.221 -19.307 -13.798 324 HA LEU 48 HA LEU 48 17.488 -17.730 -15.252 325 HB2 LEU 48 HB2 LEU 48 19.099 -19.397 -16.200 326 HB3 LEU 48 HB1 LEU 48 17.985 -20.678 -15.731 327 HG LEU 48 HG LEU 48 16.214 -19.613 -17.131 328 HD11 LEU 48 HD11 LEU 48 16.660 -17.369 -17.418 329 HD12 LEU 48 HD12 LEU 48 17.384 -17.982 -18.905 330 HD13 LEU 48 HD13 LEU 48 18.404 -17.615 -17.514 331 HD21 LEU 48 HD21 LEU 48 17.699 -21.415 -18.012 332 HD22 LEU 48 HD22 LEU 48 18.787 -20.175 -18.636 333 HD23 LEU 48 HD23 LEU 48 17.149 -20.314 -19.275 334 H VAL 49 HN VAL 49 16.759 -20.870 -13.728 335 HA VAL 49 HA VAL 49 14.041 -20.966 -14.447 336 HB VAL 49 HB VAL 49 15.639 -22.220 -12.224 337 HG11 VAL 49 HG11 VAL 49 12.665 -22.177 -12.650 338 HG12 VAL 49 HG12 VAL 49 13.574 -22.120 -11.139 339 HG13 VAL 49 HG13 VAL 49 13.429 -23.638 -12.025 340 HG21 VAL 49 HG21 VAL 49 14.077 -23.563 -14.428 341 HG22 VAL 49 HG22 VAL 49 15.470 -24.173 -13.535 342 HG23 VAL 49 HG23 VAL 49 15.683 -22.902 -14.739 343 H LEU 50 HN LEU 50 15.192 -20.454 -11.117 344 HA LEU 50 HA LEU 50 12.919 -19.414 -10.015 345 HB2 LEU 50 HB2 LEU 50 15.748 -18.482 -9.468 346 HB3 LEU 50 HB1 LEU 50 14.367 -18.246 -8.398 347 HG LEU 50 HG LEU 50 15.420 -20.945 -9.304 348 HD11 LEU 50 HD11 LEU 50 15.587 -19.704 -6.549 349 HD12 LEU 50 HD12 LEU 50 16.897 -19.597 -7.724 350 HD13 LEU 50 HD13 LEU 50 16.379 -21.172 -7.122 351 HD21 LEU 50 HD21 LEU 50 13.091 -20.036 -7.651 352 HD22 LEU 50 HD22 LEU 50 13.923 -21.514 -7.173 353 HD23 LEU 50 HD23 LEU 50 13.205 -21.387 -8.778 354 H TRP 51 HN TRP 51 15.046 -17.883 -12.287 355 HA TRP 51 HA TRP 51 14.039 -15.208 -11.823 356 HB2 TRP 51 HB2 TRP 51 16.311 -15.440 -12.612 357 HB3 TRP 51 HB1 TRP 51 15.778 -16.384 -14.003 358 HD1 TRP 51 HD1 TRP 51 15.987 -12.843 -12.674 359 HE1 TRP 51 HE1 TRP 51 15.361 -11.195 -14.555 360 HE3 TRP 51 HE3 TRP 51 14.319 -16.128 -16.212 361 HZ2 TRP 51 HZ2 TRP 51 14.296 -11.259 -17.208 362 HZ3 TRP 51 HZ3 TRP 51 13.505 -15.307 -18.404 363 HH2 TRP 51 HH2 TRP 51 13.491 -12.880 -18.906 364 H THR 52 HN THR 52 13.683 -17.693 -14.345 365 HA THR 52 HA THR 52 11.870 -16.200 -15.947 366 HB THR 52 HB THR 52 12.638 -19.098 -15.765 367 HG1 THR 52 HG1 THR 52 12.621 -17.731 -18.140 368 HG21 THR 52 HG21 THR 52 11.125 -19.292 -17.873 369 HG22 THR 52 HG22 THR 52 10.295 -17.884 -17.211 370 HG23 THR 52 HG23 THR 52 10.365 -19.382 -16.283 371 H VAL 53 HN VAL 53 11.441 -18.586 -13.366 372 HA VAL 53 HA VAL 53 8.650 -18.869 -13.561 373 HB VAL 53 HB VAL 53 10.604 -19.225 -11.298 374 HG11 VAL 53 HG11 VAL 53 8.683 -18.656 -10.074 375 HG12 VAL 53 HG12 VAL 53 8.537 -20.407 -10.225 376 HG13 VAL 53 HG13 VAL 53 7.596 -19.349 -11.278 377 HG21 VAL 53 HG21 VAL 53 8.851 -21.393 -12.306 378 HG22 VAL 53 HG22 VAL 53 10.568 -21.430 -11.906 379 HG23 VAL 53 HG23 VAL 53 10.038 -20.781 -13.458 380 H PHE 54 HN PHE 54 10.654 -16.595 -11.723 381 HA PHE 54 HA PHE 54 8.560 -15.342 -10.304 382 HB2 PHE 54 HB2 PHE 54 11.385 -14.970 -10.671 383 HB3 PHE 54 HB1 PHE 54 10.566 -13.415 -10.829 384 HD1 PHE 54 HD1 PHE 54 8.808 -12.810 -9.026 385 HD2 PHE 54 HD2 PHE 54 11.745 -15.905 -8.542 386 HE1 PHE 54 HE1 PHE 54 8.496 -12.720 -6.567 387 HE2 PHE 54 HE2 PHE 54 11.435 -15.816 -6.082 388 HZ PHE 54 HZ PHE 54 9.809 -14.224 -5.096 389 H ARG 55 HN ARG 55 9.358 -15.289 -13.605 390 HA ARG 55 HA ARG 55 7.858 -12.776 -14.031 391 HB2 ARG 55 HB2 ARG 55 10.077 -14.126 -15.501 392 HB3 ARG 55 HB1 ARG 55 8.912 -13.188 -16.435 393 HG2 ARG 55 HG2 ARG 55 9.548 -11.184 -15.482 394 HG3 ARG 55 HG1 ARG 55 10.010 -11.934 -13.954 395 HD2 ARG 55 HD2 ARG 55 11.596 -12.604 -16.403 396 HD3 ARG 55 HD1 ARG 55 11.854 -11.041 -15.635 397 HE ARG 55 HE ARG 55 12.741 -13.564 -14.643 398 HH11 ARG 55 HH21 ARG 55 11.447 -10.491 -13.718 399 HH12 ARG 55 HH22 ARG 55 12.155 -10.513 -12.137 400 HH21 ARG 55 HH11 ARG 55 13.668 -13.603 -12.570 401 HH22 ARG 55 HH12 ARG 55 13.412 -12.275 -11.487 402 H LYS 56 HN LYS 56 7.680 -16.159 -14.303 403 HA LYS 56 HA LYS 56 5.613 -16.013 -16.393 404 HB2 LYS 56 HB2 LYS 56 6.263 -18.070 -17.036 405 HB3 LYS 56 HB1 LYS 56 7.676 -17.810 -16.019 406 HG2 LYS 56 HG2 LYS 56 6.371 -18.810 -14.093 407 HG3 LYS 56 HG1 LYS 56 5.109 -19.238 -15.255 408 HD2 LYS 56 HD2 LYS 56 6.707 -20.569 -16.542 409 HD3 LYS 56 HD1 LYS 56 8.004 -20.111 -15.438 410 HE2 LYS 56 HE2 LYS 56 7.457 -21.861 -14.136 411 HE3 LYS 56 HE1 LYS 56 5.900 -21.094 -13.821 412 HZ1 LYS 56 HZ1 LYS 56 6.542 -22.921 -16.072 413 HZ2 LYS 56 HZ2 LYS 56 5.059 -22.116 -15.870 414 HZ3 LYS 56 HZ3 LYS 56 5.561 -23.275 -14.734 415 H LYS 57 HN LYS 57 6.117 -16.674 -13.008 416 HA LYS 57 HA LYS 57 3.301 -17.474 -12.693 417 HB2 LYS 57 HB2 LYS 57 5.237 -18.810 -11.665 418 HB3 LYS 57 HB1 LYS 57 5.401 -17.469 -10.531 419 HG2 LYS 57 HG2 LYS 57 2.824 -17.774 -10.196 420 HG3 LYS 57 HG1 LYS 57 3.104 -19.378 -10.876 421 HD2 LYS 57 HD2 LYS 57 5.123 -19.313 -9.094 422 HD3 LYS 57 HD1 LYS 57 3.987 -18.244 -8.270 423 HE2 LYS 57 HE2 LYS 57 3.572 -20.525 -7.539 424 HE3 LYS 57 HE1 LYS 57 2.220 -20.001 -8.545 425 HZ1 LYS 57 HZ1 LYS 57 4.537 -21.476 -9.648 426 HZ2 LYS 57 HZ2 LYS 57 3.017 -21.221 -10.363 427 HZ3 LYS 57 HZ3 LYS 57 3.170 -22.269 -9.033 428 H GLY 58 HN GLY 58 5.559 -14.915 -12.045 429 HA2 GLY 58 HA2 GLY 58 3.909 -13.583 -10.079 430 HA3 GLY 58 HA1 GLY 58 5.370 -12.945 -10.827 431 H HIS 59 HN HIS 59 4.370 -13.489 -13.548 432 HA HIS 59 HA HIS 59 3.215 -10.993 -14.107 433 HB2 HIS 59 HB2 HIS 59 4.444 -12.427 -15.750 434 HB3 HIS 59 HB1 HIS 59 3.036 -13.488 -15.810 435 HD2 HIS 59 HD2 HIS 59 1.657 -10.005 -15.541 436 HE1 HIS 59 HE1 HIS 59 2.065 -10.668 -19.690 437 HE2 HIS 59 HE2 HIS 59 1.037 -9.154 -17.930 438 H HIS 60 HN HIS 60 1.677 -14.212 -14.315 439 HA HIS 60 HA HIS 60 -0.932 -13.371 -14.758 440 HB2 HIS 60 HB2 HIS 60 0.195 -15.798 -13.373 441 HB3 HIS 60 HB1 HIS 60 -1.542 -15.565 -13.564 442 HD2 HIS 60 HD2 HIS 60 1.627 -16.007 -15.909 443 HE1 HIS 60 HE1 HIS 60 -1.858 -16.795 -18.159 444 HE2 HIS 60 HE2 HIS 60 0.681 -16.813 -18.206 445 H HIS 61 HN HIS 61 -0.187 -14.834 -11.635 446 HA HIS 61 HA HIS 61 -0.806 -14.287 -9.497 447 HB2 HIS 61 HB2 HIS 61 0.587 -12.238 -10.212 448 HB3 HIS 61 HB1 HIS 61 -0.965 -11.415 -10.369 449 HD2 HIS 61 HD2 HIS 61 0.502 -13.714 -7.441 450 HE1 HIS 61 HE1 HIS 61 -1.301 -10.281 -5.771 451 HE2 HIS 61 HE2 HIS 61 -0.085 -12.445 -5.235 452 H HIS 62 HN HIS 62 -2.530 -11.757 -11.327 453 HA HIS 62 HA HIS 62 -4.929 -12.051 -9.856 454 HB2 HIS 62 HB2 HIS 62 -5.900 -10.533 -11.440 455 HB3 HIS 62 HB1 HIS 62 -4.233 -10.019 -11.178 456 HD2 HIS 62 HD2 HIS 62 -6.493 -11.186 -14.085 457 HE1 HIS 62 HE1 HIS 62 -2.545 -11.092 -15.574 458 HE2 HIS 62 HE2 HIS 62 -4.990 -11.324 -16.216 459 H HIS 63 HN HIS 63 -6.288 -13.710 -9.902 460 HA HIS 63 HA HIS 63 -7.356 -15.625 -10.603 461 HB2 HIS 63 HB2 HIS 63 -8.381 -13.595 -11.934 462 HB3 HIS 63 HB1 HIS 63 -7.622 -14.387 -13.315 463 HD2 HIS 63 HD2 HIS 63 -10.852 -14.668 -11.324 464 HE1 HIS 63 HE1 HIS 63 -10.386 -18.390 -13.261 465 HE2 HIS 63 HE2 HIS 63 -12.002 -16.923 -11.964 466 H HIS 64 HN HIS 64 -4.541 -15.704 -10.837 467 HA HIS 64 HA HIS 64 -2.804 -16.734 -11.965 468 HB2 HIS 64 HB2 HIS 64 -3.255 -19.082 -12.390 469 HB3 HIS 64 HB1 HIS 64 -4.092 -18.592 -10.918 470 HD2 HIS 64 HD2 HIS 64 -6.854 -18.942 -11.002 471 HE1 HIS 64 HE1 HIS 64 -7.178 -19.801 -15.123 472 HE2 HIS 64 HE2 HIS 64 -8.452 -19.683 -12.929 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 59.749 4.833 -8.333 2 H2 MET 1 HT2 MET 1 60.780 5.874 -7.476 3 H3 MET 1 HT3 MET 1 59.576 6.512 -8.490 4 HA MET 1 HA MET 1 59.407 5.776 -5.762 5 HB2 MET 1 HB2 MET 1 57.227 6.840 -7.566 6 HB3 MET 1 HB1 MET 1 57.459 7.142 -5.843 7 HG2 MET 1 HG2 MET 1 59.856 7.985 -6.927 8 HG3 MET 1 HG1 MET 1 58.687 8.473 -8.155 9 HE1 MET 1 HE1 MET 1 60.572 10.046 -5.439 10 HE2 MET 1 HE2 MET 1 59.705 11.530 -5.822 11 HE3 MET 1 HE3 MET 1 60.269 10.485 -7.125 12 H GLU 2 HN GLU 2 59.477 3.483 -7.648 13 HA GLU 2 HA GLU 2 56.790 2.340 -7.277 14 HB2 GLU 2 HB2 GLU 2 59.143 1.383 -8.925 15 HB3 GLU 2 HB1 GLU 2 57.579 0.573 -8.825 16 HG2 GLU 2 HG2 GLU 2 56.742 1.945 -10.394 17 HG3 GLU 2 HG1 GLU 2 57.134 3.346 -9.399 18 H GLU 3 HN GLU 3 56.643 1.534 -5.252 19 HA GLU 3 HA GLU 3 57.950 -0.859 -4.563 20 HB2 GLU 3 HB2 GLU 3 59.484 1.482 -3.997 21 HB3 GLU 3 HB1 GLU 3 58.946 0.789 -2.466 22 HG2 GLU 3 HG2 GLU 3 60.291 -0.779 -4.685 23 HG3 GLU 3 HG1 GLU 3 61.113 -0.174 -3.248 24 H GLY 4 HN GLY 4 57.748 -1.121 -1.973 25 HA2 GLY 4 HA2 GLY 4 56.406 -0.685 -0.041 26 HA3 GLY 4 HA1 GLY 4 55.232 0.122 -1.078 27 H GLY 5 HN GLY 5 55.363 -2.375 0.838 28 HA2 GLY 5 HA2 GLY 5 54.209 -4.379 -0.978 29 HA3 GLY 5 HA1 GLY 5 54.715 -4.660 0.685 30 H ASP 6 HN ASP 6 53.032 -5.106 1.945 31 HA ASP 6 HA ASP 6 50.711 -3.339 1.941 32 HB2 ASP 6 HB2 ASP 6 49.215 -5.447 1.935 33 HB3 ASP 6 HB1 ASP 6 49.839 -4.872 0.390 34 H PHE 7 HN PHE 7 52.405 -3.251 3.923 35 HA PHE 7 HA PHE 7 52.441 -5.102 5.959 36 HB2 PHE 7 HB2 PHE 7 52.792 -2.202 5.751 37 HB3 PHE 7 HB1 PHE 7 52.215 -2.722 7.335 38 HD1 PHE 7 HD1 PHE 7 54.797 -3.507 4.739 39 HD2 PHE 7 HD2 PHE 7 53.711 -3.647 8.893 40 HE1 PHE 7 HE1 PHE 7 57.074 -4.309 5.307 41 HE2 PHE 7 HE2 PHE 7 55.988 -4.448 9.461 42 HZ PHE 7 HZ PHE 7 57.669 -4.780 7.668 43 H ASP 8 HN ASP 8 51.302 -4.650 8.183 44 HA ASP 8 HA ASP 8 48.579 -5.342 7.879 45 HB2 ASP 8 HB2 ASP 8 48.582 -5.646 10.144 46 HB3 ASP 8 HB1 ASP 8 50.327 -5.599 9.895 47 H ASN 9 HN ASN 9 49.956 -2.443 7.282 48 HA ASN 9 HA ASN 9 48.405 -0.528 8.593 49 HB2 ASN 9 HB2 ASN 9 50.416 -0.218 7.000 50 HB3 ASN 9 HB1 ASN 9 49.216 -0.247 5.708 51 HD21 ASN 9 HD21 ASN 9 50.389 1.614 8.478 52 HD22 ASN 9 HD22 ASN 9 49.480 3.009 8.146 53 H TYR 10 HN TYR 10 47.674 -2.552 5.814 54 HA TYR 10 HA TYR 10 45.360 -1.207 4.923 55 HB2 TYR 10 HB2 TYR 10 46.696 -3.094 3.778 56 HB3 TYR 10 HB1 TYR 10 45.720 -4.190 4.756 57 HD1 TYR 10 HD1 TYR 10 45.436 -1.314 2.378 58 HD2 TYR 10 HD2 TYR 10 43.555 -4.789 4.063 59 HE1 TYR 10 HE1 TYR 10 43.561 -1.077 0.773 60 HE2 TYR 10 HE2 TYR 10 41.679 -4.552 2.458 61 HH TYR 10 HH TYR 10 41.624 -3.253 -0.123 62 H TYR 11 HN TYR 11 44.594 -0.715 7.201 63 HA TYR 11 HA TYR 11 43.234 -1.127 9.031 64 HB2 TYR 11 HB2 TYR 11 41.773 -1.031 6.842 65 HB3 TYR 11 HB1 TYR 11 41.507 -2.739 7.193 66 HD1 TYR 11 HD2 TYR 11 41.398 0.647 8.789 67 HD2 TYR 11 HD1 TYR 11 39.904 -3.381 8.787 68 HE1 TYR 11 HE2 TYR 11 39.738 1.262 10.525 69 HE2 TYR 11 HE1 TYR 11 38.243 -2.765 10.523 70 HH TYR 11 HH TYR 11 37.943 0.588 11.670 71 H GLY 12 HN GLY 12 45.338 -2.975 8.935 72 HA2 GLY 12 HA2 GLY 12 45.974 -5.105 9.588 73 HA3 GLY 12 HA1 GLY 12 44.693 -4.876 10.775 74 H ALA 13 HN ALA 13 44.899 -5.566 7.273 75 HA ALA 13 HA ALA 13 43.172 -7.913 7.701 76 HB1 ALA 13 HB1 ALA 13 41.445 -6.917 6.680 77 HB2 ALA 13 HB2 ALA 13 42.423 -6.808 5.218 78 HB3 ALA 13 HB3 ALA 13 42.411 -5.474 6.371 79 H ASP 14 HN ASP 14 45.445 -6.156 5.664 80 HA ASP 14 HA ASP 14 45.791 -8.302 3.780 81 HB2 ASP 14 HB2 ASP 14 47.387 -5.796 4.338 82 HB3 ASP 14 HB1 ASP 14 47.772 -6.933 3.048 83 H ASN 15 HN ASN 15 47.415 -7.204 6.707 84 HA ASN 15 HA ASN 15 49.760 -8.726 6.532 85 HB2 ASN 15 HB2 ASN 15 49.879 -7.255 8.288 86 HB3 ASN 15 HB1 ASN 15 48.192 -7.493 8.742 87 HD21 ASN 15 HD21 ASN 15 48.220 -8.328 10.841 88 HD22 ASN 15 HD22 ASN 15 49.202 -9.614 11.354 89 H GLN 16 HN GLN 16 46.491 -9.629 7.358 90 HA GLN 16 HA GLN 16 47.359 -12.298 8.224 91 HB2 GLN 16 HB2 GLN 16 44.942 -12.603 8.784 92 HB3 GLN 16 HB1 GLN 16 45.693 -11.253 9.635 93 HG2 GLN 16 HG2 GLN 16 44.773 -9.676 8.004 94 HG3 GLN 16 HG1 GLN 16 44.072 -11.007 7.085 95 HE21 GLN 16 HE21 GLN 16 44.103 -10.988 10.632 96 HE22 GLN 16 HE22 GLN 16 42.427 -10.791 10.814 97 H SER 17 HN SER 17 46.352 -10.673 5.438 98 HA SER 17 HA SER 17 45.079 -12.993 4.209 99 HB2 SER 17 HB2 SER 17 44.437 -11.564 2.486 100 HB3 SER 17 HB1 SER 17 44.465 -10.473 3.868 101 HG SER 17 HG SER 17 45.635 -9.886 1.809 102 H GLU 18 HN GLU 18 47.999 -11.007 3.770 103 HA GLU 18 HA GLU 18 49.084 -12.378 1.582 104 HB2 GLU 18 HB2 GLU 18 51.164 -11.337 2.140 105 HB3 GLU 18 HB1 GLU 18 49.894 -10.194 2.578 106 HG2 GLU 18 HG2 GLU 18 49.995 -11.250 4.924 107 HG3 GLU 18 HG1 GLU 18 51.516 -11.971 4.401 108 H CYS 19 HN CYS 19 48.761 -13.319 4.876 109 HA CYS 19 HA CYS 19 50.910 -15.206 4.967 110 HB2 CYS 19 HB2 CYS 19 49.244 -14.114 6.837 111 HB3 CYS 19 HB1 CYS 19 48.570 -15.735 6.674 112 HG CYS 19 HG CYS 19 50.683 -16.741 7.599 113 H GLU 20 HN GLU 20 47.528 -15.329 4.010 114 HA GLU 20 HA GLU 20 47.657 -18.223 3.599 115 HB2 GLU 20 HB2 GLU 20 45.375 -16.294 3.112 116 HB3 GLU 20 HB1 GLU 20 45.279 -18.055 3.091 117 HG2 GLU 20 HG2 GLU 20 46.469 -17.525 5.536 118 HG3 GLU 20 HG1 GLU 20 45.295 -16.220 5.373 119 H TYR 21 HN TYR 21 48.069 -15.301 1.858 120 HA TYR 21 HA TYR 21 47.248 -16.022 -0.721 121 HB2 TYR 21 HB2 TYR 21 47.865 -13.743 -0.247 122 HB3 TYR 21 HB1 TYR 21 49.503 -14.228 0.196 123 HD1 TYR 21 HD2 TYR 21 51.047 -15.154 -1.549 124 HD2 TYR 21 HD1 TYR 21 47.225 -13.459 -2.537 125 HE1 TYR 21 HE2 TYR 21 51.750 -14.950 -3.919 126 HE2 TYR 21 HE1 TYR 21 47.928 -13.254 -4.906 127 HH TYR 21 HH TYR 21 51.122 -13.524 -5.904 128 H THR 22 HN THR 22 50.228 -16.712 1.036 129 HA THR 22 HA THR 22 51.607 -17.852 -1.198 130 HB THR 22 HB THR 22 52.956 -18.911 0.811 131 HG1 THR 22 HG1 THR 22 52.209 -16.776 2.292 132 HG21 THR 22 HG21 THR 22 52.831 -15.936 0.244 133 HG22 THR 22 HG22 THR 22 53.777 -17.123 -0.653 134 HG23 THR 22 HG23 THR 22 54.177 -16.766 1.027 135 H ASP 23 HN ASP 23 49.055 -18.927 0.743 136 HA ASP 23 HA ASP 23 49.679 -21.767 0.273 137 HB2 ASP 23 HB2 ASP 23 47.980 -20.284 2.215 138 HB3 ASP 23 HB1 ASP 23 47.428 -21.880 1.712 139 H TRP 24 HN TRP 24 47.070 -19.386 -0.171 140 HA TRP 24 HA TRP 24 45.175 -20.907 -1.452 141 HB2 TRP 24 HB2 TRP 24 44.389 -18.780 -1.240 142 HB3 TRP 24 HB1 TRP 24 45.968 -18.056 -1.545 143 HD1 TRP 24 HD1 TRP 24 42.985 -19.609 -3.395 144 HE1 TRP 24 HE1 TRP 24 43.007 -18.772 -5.834 145 HE3 TRP 24 HE3 TRP 24 47.409 -17.058 -3.412 146 HZ2 TRP 24 HZ2 TRP 24 44.680 -17.225 -7.562 147 HZ3 TRP 24 HZ3 TRP 24 48.192 -15.914 -5.465 148 HH2 TRP 24 HH2 TRP 24 46.835 -15.993 -7.538 149 H LYS 25 HN LYS 25 47.938 -19.247 -2.977 150 HA LYS 25 HA LYS 25 47.523 -19.893 -5.617 151 HB2 LYS 25 HB2 LYS 25 49.429 -18.536 -4.611 152 HB3 LYS 25 HB1 LYS 25 50.240 -20.073 -4.311 153 HG2 LYS 25 HG2 LYS 25 49.948 -20.610 -6.760 154 HG3 LYS 25 HG1 LYS 25 49.371 -18.960 -6.991 155 HD2 LYS 25 HD2 LYS 25 51.494 -18.082 -6.101 156 HD3 LYS 25 HD1 LYS 25 52.076 -19.730 -5.856 157 HE2 LYS 25 HE2 LYS 25 52.751 -19.840 -7.998 158 HE3 LYS 25 HE1 LYS 25 51.118 -19.471 -8.553 159 HZ1 LYS 25 HZ1 LYS 25 53.328 -17.607 -7.959 160 HZ2 LYS 25 HZ2 LYS 25 51.714 -17.076 -7.964 161 HZ3 LYS 25 HZ3 LYS 25 52.398 -17.736 -9.372 162 H SER 26 HN SER 26 48.620 -21.969 -3.015 163 HA SER 26 HA SER 26 49.178 -24.173 -4.856 164 HB2 SER 26 HB2 SER 26 49.264 -24.219 -1.837 165 HB3 SER 26 HB1 SER 26 50.037 -25.339 -2.955 166 HG SER 26 HG SER 26 51.634 -23.993 -3.113 167 H SER 27 HN SER 27 46.967 -23.397 -2.179 168 HA SER 27 HA SER 27 45.464 -25.835 -2.486 169 HB2 SER 27 HB2 SER 27 44.592 -23.335 -1.035 170 HB3 SER 27 HB1 SER 27 44.059 -24.990 -0.753 171 HG SER 27 HG SER 27 46.604 -23.837 -0.267 172 H GLY 28 HN GLY 28 45.731 -23.325 -4.500 173 HA2 GLY 28 HA2 GLY 28 42.911 -22.880 -5.074 174 HA3 GLY 28 HA1 GLY 28 44.280 -22.167 -5.924 175 H ALA 29 HN ALA 29 45.180 -25.237 -5.801 176 HA ALA 29 HA ALA 29 44.114 -25.818 -8.469 177 HB1 ALA 29 HB1 ALA 29 45.953 -27.193 -8.785 178 HB2 ALA 29 HB2 ALA 29 46.099 -27.567 -7.068 179 HB3 ALA 29 HB3 ALA 29 46.622 -25.997 -7.675 180 H LEU 30 HN LEU 30 42.225 -26.007 -6.446 181 HA LEU 30 HA LEU 30 41.241 -28.645 -6.836 182 HB2 LEU 30 HB2 LEU 30 41.325 -29.453 -4.527 183 HB3 LEU 30 HB1 LEU 30 42.955 -29.176 -5.142 184 HG LEU 30 HG LEU 30 42.247 -26.712 -4.075 185 HD11 LEU 30 HD11 LEU 30 40.268 -27.737 -3.013 186 HD12 LEU 30 HD12 LEU 30 41.444 -27.234 -1.799 187 HD13 LEU 30 HD13 LEU 30 41.304 -28.935 -2.237 188 HD21 LEU 30 HD21 LEU 30 44.443 -27.641 -3.824 189 HD22 LEU 30 HD22 LEU 30 43.820 -29.050 -2.965 190 HD23 LEU 30 HD23 LEU 30 43.801 -27.465 -2.191 191 H ILE 31 HN ILE 31 41.113 -25.564 -5.172 192 HA ILE 31 HA ILE 31 38.473 -25.898 -4.134 193 HB ILE 31 HB ILE 31 40.330 -23.562 -4.444 194 HG12 ILE 31 HG12 ILE 31 38.848 -24.654 -2.042 195 HG13 ILE 31 HG11 ILE 31 40.428 -25.254 -2.547 196 HG21 ILE 31 HG21 ILE 31 37.366 -23.522 -3.893 197 HG22 ILE 31 HG22 ILE 31 38.302 -22.472 -4.957 198 HG23 ILE 31 HG23 ILE 31 38.431 -22.295 -3.208 199 HD11 ILE 31 HD11 ILE 31 40.404 -23.388 -0.770 200 HD12 ILE 31 HD12 ILE 31 39.931 -22.312 -2.087 201 HD13 ILE 31 HD13 ILE 31 41.474 -23.163 -2.154 202 HA PRO 32 HA PRO 32 37.434 -23.249 -8.144 203 HB2 PRO 32 HB2 PRO 32 39.039 -24.839 -10.070 204 HB3 PRO 32 HB1 PRO 32 38.761 -23.089 -10.006 205 HG2 PRO 32 HG2 PRO 32 41.105 -24.163 -9.323 206 HG3 PRO 32 HG1 PRO 32 40.450 -22.739 -8.498 207 HD2 PRO 32 HD2 PRO 32 40.552 -25.580 -7.561 208 HD3 PRO 32 HD1 PRO 32 40.732 -24.079 -6.632 209 H ALA 33 HN ALA 33 38.143 -26.685 -7.995 210 HA ALA 33 HA ALA 33 36.315 -27.681 -9.854 211 HB1 ALA 33 HB1 ALA 33 37.281 -28.832 -7.231 212 HB2 ALA 33 HB2 ALA 33 37.905 -29.169 -8.846 213 HB3 ALA 33 HB3 ALA 33 36.299 -29.733 -8.385 214 H ILE 34 HN ILE 34 35.781 -27.653 -6.323 215 HA ILE 34 HA ILE 34 33.062 -28.163 -6.358 216 HB ILE 34 HB ILE 34 34.869 -26.735 -4.444 217 HG12 ILE 34 HG12 ILE 34 34.448 -29.328 -4.807 218 HG13 ILE 34 HG11 ILE 34 34.640 -28.671 -3.183 219 HG21 ILE 34 HG21 ILE 34 32.789 -26.706 -2.897 220 HG22 ILE 34 HG22 ILE 34 31.852 -26.778 -4.389 221 HG23 ILE 34 HG23 ILE 34 32.940 -25.421 -4.094 222 HD11 ILE 34 HD11 ILE 34 32.320 -28.747 -2.749 223 HD12 ILE 34 HD12 ILE 34 32.631 -30.250 -3.615 224 HD13 ILE 34 HD13 ILE 34 31.913 -28.881 -4.459 225 H TYR 35 HN TYR 35 34.736 -25.051 -6.605 226 HA TYR 35 HA TYR 35 32.493 -23.368 -6.515 227 HB2 TYR 35 HB2 TYR 35 35.292 -23.144 -7.195 228 HB3 TYR 35 HB1 TYR 35 34.307 -22.212 -8.324 229 HD1 TYR 35 HD1 TYR 35 34.794 -22.856 -4.670 230 HD2 TYR 35 HD2 TYR 35 33.428 -20.123 -7.690 231 HE1 TYR 35 HE1 TYR 35 34.461 -21.110 -2.941 232 HE2 TYR 35 HE2 TYR 35 33.096 -18.377 -5.961 233 HH TYR 35 HH TYR 35 34.423 -18.255 -3.197 234 H MET 36 HN MET 36 34.273 -24.407 -9.436 235 HA MET 36 HA MET 36 32.343 -23.516 -11.273 236 HB2 MET 36 HB2 MET 36 34.691 -25.329 -11.349 237 HB3 MET 36 HB1 MET 36 33.509 -25.515 -12.647 238 HG2 MET 36 HG2 MET 36 34.667 -22.837 -11.842 239 HG3 MET 36 HG1 MET 36 35.357 -23.842 -13.118 240 HE1 MET 36 HE1 MET 36 34.042 -20.772 -13.180 241 HE2 MET 36 HE2 MET 36 32.859 -21.348 -12.009 242 HE3 MET 36 HE3 MET 36 32.317 -20.739 -13.570 243 H LEU 37 HN LEU 37 32.975 -26.833 -10.113 244 HA LEU 37 HA LEU 37 30.967 -28.197 -11.383 245 HB2 LEU 37 HB2 LEU 37 32.705 -29.130 -9.784 246 HB3 LEU 37 HB1 LEU 37 31.637 -28.633 -8.470 247 HG LEU 37 HG LEU 37 29.898 -29.943 -10.151 248 HD11 LEU 37 HD11 LEU 37 30.993 -32.054 -10.773 249 HD12 LEU 37 HD12 LEU 37 32.529 -31.454 -10.148 250 HD13 LEU 37 HD13 LEU 37 31.795 -30.695 -11.560 251 HD21 LEU 37 HD21 LEU 37 30.120 -31.819 -8.488 252 HD22 LEU 37 HD22 LEU 37 29.969 -30.230 -7.740 253 HD23 LEU 37 HD23 LEU 37 31.547 -31.011 -7.839 254 H VAL 38 HN VAL 38 30.694 -25.947 -8.726 255 HA VAL 38 HA VAL 38 27.840 -26.560 -8.396 256 HB VAL 38 HB VAL 38 29.758 -24.819 -6.835 257 HG11 VAL 38 HG11 VAL 38 27.770 -23.613 -6.611 258 HG12 VAL 38 HG12 VAL 38 27.644 -24.755 -5.273 259 HG13 VAL 38 HG13 VAL 38 26.763 -25.051 -6.771 260 HG21 VAL 38 HG21 VAL 38 28.125 -27.224 -5.978 261 HG22 VAL 38 HG22 VAL 38 29.443 -26.453 -5.097 262 HG23 VAL 38 HG23 VAL 38 29.779 -27.352 -6.576 263 H PHE 39 HN PHE 39 29.882 -24.439 -10.081 264 HA PHE 39 HA PHE 39 28.049 -22.195 -10.151 265 HB2 PHE 39 HB2 PHE 39 30.639 -22.148 -10.381 266 HB3 PHE 39 HB1 PHE 39 30.334 -22.590 -12.061 267 HD1 PHE 39 HD1 PHE 39 29.067 -21.085 -13.554 268 HD2 PHE 39 HD2 PHE 39 30.025 -19.968 -9.519 269 HE1 PHE 39 HE1 PHE 39 28.514 -18.725 -14.076 270 HE2 PHE 39 HE2 PHE 39 29.474 -17.608 -10.041 271 HZ PHE 39 HZ PHE 39 28.718 -16.986 -12.319 272 H LEU 40 HN LEU 40 29.299 -24.501 -12.580 273 HA LEU 40 HA LEU 40 27.386 -23.727 -14.558 274 HB2 LEU 40 HB2 LEU 40 28.178 -25.876 -15.684 275 HB3 LEU 40 HB1 LEU 40 29.409 -24.653 -15.374 276 HG LEU 40 HG LEU 40 29.105 -26.414 -13.084 277 HD11 LEU 40 HD11 LEU 40 29.986 -28.455 -14.135 278 HD12 LEU 40 HD12 LEU 40 29.886 -27.694 -15.722 279 HD13 LEU 40 HD13 LEU 40 28.413 -28.044 -14.817 280 HD21 LEU 40 HD21 LEU 40 31.031 -24.898 -13.643 281 HD22 LEU 40 HD22 LEU 40 31.429 -25.973 -14.983 282 HD23 LEU 40 HD23 LEU 40 31.520 -26.561 -13.324 283 H LEU 41 HN LEU 41 26.979 -25.371 -11.728 284 HA LEU 41 HA LEU 41 24.638 -26.843 -12.786 285 HB2 LEU 41 HB2 LEU 41 26.405 -27.639 -10.459 286 HB3 LEU 41 HB1 LEU 41 24.967 -28.503 -11.002 287 HG LEU 41 HG LEU 41 27.451 -28.020 -12.678 288 HD11 LEU 41 HD11 LEU 41 26.758 -30.782 -12.131 289 HD12 LEU 41 HD12 LEU 41 27.011 -29.892 -10.630 290 HD13 LEU 41 HD13 LEU 41 28.283 -29.942 -11.852 291 HD21 LEU 41 HD21 LEU 41 26.168 -29.954 -13.981 292 HD22 LEU 41 HD22 LEU 41 25.779 -28.259 -14.270 293 HD23 LEU 41 HD23 LEU 41 24.759 -29.229 -13.208 294 H GLY 42 HN GLY 42 25.693 -24.313 -10.916 295 HA2 GLY 42 HA2 GLY 42 23.142 -24.261 -9.424 296 HA3 GLY 42 HA1 GLY 42 24.659 -23.886 -8.611 297 H THR 43 HN THR 43 24.840 -22.865 -11.784 298 HA THR 43 HA THR 43 23.543 -20.289 -11.391 299 HB THR 43 HB THR 43 26.488 -20.277 -12.008 300 HG1 THR 43 HG1 THR 43 26.942 -20.288 -9.929 301 HG21 THR 43 HG21 THR 43 24.591 -18.345 -12.201 302 HG22 THR 43 HG22 THR 43 26.286 -18.010 -11.843 303 HG23 THR 43 HG23 THR 43 25.110 -18.109 -10.532 304 H THR 44 HN THR 44 23.447 -22.627 -13.234 305 HA THR 44 HA THR 44 23.852 -21.140 -15.757 306 HB THR 44 HB THR 44 24.609 -23.964 -15.068 307 HG1 THR 44 HG1 THR 44 25.989 -21.935 -15.284 308 HG21 THR 44 HG21 THR 44 24.862 -24.179 -17.648 309 HG22 THR 44 HG22 THR 44 23.664 -22.886 -17.716 310 HG23 THR 44 HG23 THR 44 23.265 -24.420 -16.941 311 H GLY 45 HN GLY 45 22.172 -23.840 -14.172 312 HA2 GLY 45 HA2 GLY 45 19.817 -23.290 -15.887 313 HA3 GLY 45 HA1 GLY 45 20.280 -24.915 -15.390 314 H ASN 46 HN ASN 46 20.970 -22.820 -12.906 315 HA ASN 46 HA ASN 46 18.492 -23.567 -11.497 316 HB2 ASN 46 HB2 ASN 46 21.284 -22.926 -10.582 317 HB3 ASN 46 HB1 ASN 46 19.924 -22.850 -9.464 318 HD21 ASN 46 HD21 ASN 46 21.644 -25.078 -11.683 319 HD22 ASN 46 HD22 ASN 46 21.145 -26.494 -10.891 320 H GLY 47 HN GLY 47 20.751 -20.832 -11.853 321 HA2 GLY 47 HA2 GLY 47 19.103 -18.937 -10.532 322 HA3 GLY 47 HA1 GLY 47 20.446 -18.562 -11.607 323 H LEU 48 HN LEU 48 19.623 -19.656 -13.983 324 HA LEU 48 HA LEU 48 17.973 -17.691 -15.070 325 HB2 LEU 48 HB2 LEU 48 19.507 -19.187 -16.366 326 HB3 LEU 48 HB1 LEU 48 18.357 -20.500 -16.132 327 HG LEU 48 HG LEU 48 16.601 -19.129 -17.255 328 HD11 LEU 48 HD11 LEU 48 18.851 -17.161 -17.291 329 HD12 LEU 48 HD12 LEU 48 17.120 -16.886 -17.100 330 HD13 LEU 48 HD13 LEU 48 17.789 -17.213 -18.698 331 HD21 LEU 48 HD21 LEU 48 19.147 -19.508 -18.861 332 HD22 LEU 48 HD22 LEU 48 17.521 -19.371 -19.529 333 HD23 LEU 48 HD23 LEU 48 17.950 -20.760 -18.531 334 H VAL 49 HN VAL 49 17.157 -21.023 -14.110 335 HA VAL 49 HA VAL 49 14.438 -20.937 -14.816 336 HB VAL 49 HB VAL 49 16.011 -22.560 -12.831 337 HG11 VAL 49 HG11 VAL 49 13.033 -22.381 -13.204 338 HG12 VAL 49 HG12 VAL 49 13.958 -22.554 -11.712 339 HG13 VAL 49 HG13 VAL 49 13.770 -23.931 -12.799 340 HG21 VAL 49 HG21 VAL 49 15.955 -24.188 -14.463 341 HG22 VAL 49 HG22 VAL 49 15.821 -22.770 -15.504 342 HG23 VAL 49 HG23 VAL 49 14.376 -23.679 -15.062 343 H LEU 50 HN LEU 50 15.630 -20.935 -11.458 344 HA LEU 50 HA LEU 50 13.406 -20.083 -10.151 345 HB2 LEU 50 HB2 LEU 50 16.312 -19.473 -9.677 346 HB3 LEU 50 HB1 LEU 50 15.071 -18.816 -8.612 347 HG LEU 50 HG LEU 50 14.928 -21.725 -9.267 348 HD11 LEU 50 HD11 LEU 50 17.026 -20.416 -7.538 349 HD12 LEU 50 HD12 LEU 50 17.233 -21.682 -8.748 350 HD13 LEU 50 HD13 LEU 50 16.463 -22.054 -7.205 351 HD21 LEU 50 HD21 LEU 50 13.331 -20.294 -7.795 352 HD22 LEU 50 HD22 LEU 50 14.623 -20.356 -6.596 353 HD23 LEU 50 HD23 LEU 50 13.871 -21.849 -7.159 354 H TRP 51 HN TRP 51 15.490 -18.164 -12.197 355 HA TRP 51 HA TRP 51 14.360 -15.631 -11.397 356 HB2 TRP 51 HB2 TRP 51 16.636 -15.665 -12.215 357 HB3 TRP 51 HB1 TRP 51 16.125 -16.420 -13.725 358 HD1 TRP 51 HD1 TRP 51 16.137 -13.100 -11.874 359 HE1 TRP 51 HE1 TRP 51 15.450 -11.226 -13.506 360 HE3 TRP 51 HE3 TRP 51 14.733 -15.905 -15.904 361 HZ2 TRP 51 HZ2 TRP 51 14.440 -10.952 -16.167 362 HZ3 TRP 51 HZ3 TRP 51 13.912 -14.813 -17.972 363 HH2 TRP 51 HH2 TRP 51 13.764 -12.342 -18.108 364 H THR 52 HN THR 52 14.167 -17.674 -14.314 365 HA THR 52 HA THR 52 12.310 -16.105 -15.715 366 HB THR 52 HB THR 52 13.031 -19.024 -15.795 367 HG1 THR 52 HG1 THR 52 13.282 -16.803 -17.537 368 HG21 THR 52 HG21 THR 52 11.589 -18.941 -17.968 369 HG22 THR 52 HG22 THR 52 10.764 -17.604 -17.167 370 HG23 THR 52 HG23 THR 52 10.782 -19.202 -16.422 371 H VAL 53 HN VAL 53 11.821 -18.812 -13.464 372 HA VAL 53 HA VAL 53 9.039 -19.023 -13.681 373 HB VAL 53 HB VAL 53 10.994 -19.638 -11.482 374 HG11 VAL 53 HG11 VAL 53 9.132 -19.086 -10.159 375 HG12 VAL 53 HG12 VAL 53 8.907 -20.812 -10.444 376 HG13 VAL 53 HG13 VAL 53 7.983 -19.637 -11.379 377 HG21 VAL 53 HG21 VAL 53 10.766 -21.814 -12.214 378 HG22 VAL 53 HG22 VAL 53 10.391 -20.986 -13.725 379 HG23 VAL 53 HG23 VAL 53 9.086 -21.585 -12.700 380 H PHE 54 HN PHE 54 10.972 -17.142 -11.347 381 HA PHE 54 HA PHE 54 8.904 -15.959 -9.923 382 HB2 PHE 54 HB2 PHE 54 11.727 -15.547 -10.260 383 HB3 PHE 54 HB1 PHE 54 10.907 -13.985 -10.260 384 HD1 PHE 54 HD1 PHE 54 10.436 -17.259 -8.473 385 HD2 PHE 54 HD2 PHE 54 10.827 -12.992 -8.152 386 HE1 PHE 54 HE1 PHE 54 10.147 -17.416 -6.015 387 HE2 PHE 54 HE2 PHE 54 10.539 -13.150 -5.695 388 HZ PHE 54 HZ PHE 54 10.199 -15.362 -4.626 389 H ARG 55 HN ARG 55 10.003 -15.335 -13.156 390 HA ARG 55 HA ARG 55 8.504 -12.833 -13.345 391 HB2 ARG 55 HB2 ARG 55 10.748 -13.978 -14.702 392 HB3 ARG 55 HB1 ARG 55 9.473 -13.700 -15.880 393 HG2 ARG 55 HG2 ARG 55 10.776 -11.683 -15.773 394 HG3 ARG 55 HG1 ARG 55 9.246 -11.352 -14.971 395 HD2 ARG 55 HD2 ARG 55 11.410 -10.558 -13.803 396 HD3 ARG 55 HD1 ARG 55 10.228 -11.410 -12.820 397 HE ARG 55 HE ARG 55 12.270 -13.109 -13.989 398 HH11 ARG 55 HH21 ARG 55 11.295 -11.101 -11.344 399 HH12 ARG 55 HH22 ARG 55 12.357 -11.854 -10.203 400 HH21 ARG 55 HH11 ARG 55 13.667 -14.099 -12.497 401 HH22 ARG 55 HH12 ARG 55 13.701 -13.550 -10.854 402 H LYS 56 HN LYS 56 8.034 -16.168 -13.853 403 HA LYS 56 HA LYS 56 5.827 -15.692 -15.742 404 HB2 LYS 56 HB2 LYS 56 6.184 -17.774 -16.565 405 HB3 LYS 56 HB1 LYS 56 7.759 -17.604 -15.797 406 HG2 LYS 56 HG2 LYS 56 6.725 -18.639 -13.708 407 HG3 LYS 56 HG1 LYS 56 5.308 -19.014 -14.690 408 HD2 LYS 56 HD2 LYS 56 8.043 -19.865 -15.625 409 HD3 LYS 56 HD1 LYS 56 7.178 -20.821 -14.426 410 HE2 LYS 56 HE2 LYS 56 6.097 -20.035 -17.148 411 HE3 LYS 56 HE1 LYS 56 6.713 -21.629 -16.711 412 HZ1 LYS 56 HZ1 LYS 56 4.700 -22.118 -15.974 413 HZ2 LYS 56 HZ2 LYS 56 4.149 -20.536 -16.261 414 HZ3 LYS 56 HZ3 LYS 56 4.865 -20.933 -14.771 415 H LYS 57 HN LYS 57 6.511 -16.406 -12.456 416 HA LYS 57 HA LYS 57 3.703 -17.180 -11.964 417 HB2 LYS 57 HB2 LYS 57 5.711 -18.606 -11.141 418 HB3 LYS 57 HB1 LYS 57 5.911 -17.343 -9.926 419 HG2 LYS 57 HG2 LYS 57 3.245 -17.749 -9.721 420 HG3 LYS 57 HG1 LYS 57 3.754 -19.363 -10.217 421 HD2 LYS 57 HD2 LYS 57 4.862 -17.794 -7.870 422 HD3 LYS 57 HD1 LYS 57 3.784 -19.186 -7.769 423 HE2 LYS 57 HE2 LYS 57 5.709 -20.387 -7.602 424 HE3 LYS 57 HE1 LYS 57 5.789 -20.174 -9.352 425 HZ1 LYS 57 HZ1 LYS 57 7.401 -18.620 -9.186 426 HZ2 LYS 57 HZ2 LYS 57 7.740 -19.441 -7.737 427 HZ3 LYS 57 HZ3 LYS 57 6.833 -18.004 -7.711 428 H GLY 58 HN GLY 58 5.863 -14.599 -11.787 429 HA2 GLY 58 HA2 GLY 58 4.712 -13.321 -9.453 430 HA3 GLY 58 HA1 GLY 58 5.914 -12.632 -10.539 431 H HIS 59 HN HIS 59 4.385 -13.162 -12.956 432 HA HIS 59 HA HIS 59 3.106 -10.797 -13.401 433 HB2 HIS 59 HB2 HIS 59 2.039 -11.801 -15.278 434 HB3 HIS 59 HB1 HIS 59 3.561 -12.665 -15.070 435 HD2 HIS 59 HD2 HIS 59 -0.204 -13.286 -13.881 436 HE1 HIS 59 HE1 HIS 59 1.673 -16.997 -14.602 437 HE2 HIS 59 HE2 HIS 59 -0.505 -15.878 -13.929 438 H HIS 60 HN HIS 60 1.824 -13.626 -11.763 439 HA HIS 60 HA HIS 60 -0.896 -12.807 -11.691 440 HB2 HIS 60 HB2 HIS 60 -0.040 -15.135 -11.243 441 HB3 HIS 60 HB1 HIS 60 0.528 -14.555 -9.677 442 HD2 HIS 60 HD2 HIS 60 -3.017 -13.793 -11.330 443 HE1 HIS 60 HE1 HIS 60 -3.600 -15.578 -7.550 444 HE2 HIS 60 HE2 HIS 60 -4.772 -14.532 -9.545 445 H HIS 61 HN HIS 61 -0.377 -13.439 -8.552 446 HA HIS 61 HA HIS 61 -0.541 -10.592 -7.831 447 HB2 HIS 61 HB2 HIS 61 -1.238 -13.092 -6.274 448 HB3 HIS 61 HB1 HIS 61 -1.394 -11.448 -5.657 449 HD2 HIS 61 HD2 HIS 61 -2.787 -10.050 -8.311 450 HE1 HIS 61 HE1 HIS 61 -5.718 -13.060 -7.894 451 HE2 HIS 61 HE2 HIS 61 -5.201 -10.810 -8.952 452 H HIS 62 HN HIS 62 0.203 -10.736 -5.177 453 HA HIS 62 HA HIS 62 3.098 -10.855 -5.437 454 HB2 HIS 62 HB2 HIS 62 1.351 -10.026 -3.106 455 HB3 HIS 62 HB1 HIS 62 3.103 -9.833 -3.197 456 HD2 HIS 62 HD2 HIS 62 3.920 -8.039 -5.415 457 HE1 HIS 62 HE1 HIS 62 0.183 -6.073 -5.481 458 HE2 HIS 62 HE2 HIS 62 2.592 -5.963 -6.279 459 H HIS 63 HN HIS 63 4.335 -12.488 -4.766 460 HA HIS 63 HA HIS 63 4.840 -14.618 -4.030 461 HB2 HIS 63 HB2 HIS 63 4.765 -14.807 -1.629 462 HB3 HIS 63 HB1 HIS 63 5.128 -13.129 -2.033 463 HD2 HIS 63 HD2 HIS 63 3.137 -11.272 -1.294 464 HE1 HIS 63 HE1 HIS 63 0.466 -14.072 0.391 465 HE2 HIS 63 HE2 HIS 63 0.946 -11.597 0.087 466 H HIS 64 HN HIS 64 2.419 -14.520 -5.457 467 HA HIS 64 HA HIS 64 0.394 -15.589 -5.746 468 HB2 HIS 64 HB2 HIS 64 2.183 -17.343 -6.075 469 HB3 HIS 64 HB1 HIS 64 1.873 -17.865 -4.420 470 HD2 HIS 64 HD2 HIS 64 0.888 -20.290 -5.897 471 HE1 HIS 64 HE1 HIS 64 -2.822 -18.453 -6.730 472 HE2 HIS 64 HE2 HIS 64 -1.571 -20.664 -6.691 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 42.818 4.760 -5.882 2 H2 MET 1 HT2 MET 1 42.323 4.046 -4.422 3 H3 MET 1 HT3 MET 1 41.188 4.353 -5.649 4 HA MET 1 HA MET 1 42.063 2.689 -7.042 5 HB2 MET 1 HB2 MET 1 44.116 1.473 -6.457 6 HB3 MET 1 HB1 MET 1 44.443 3.202 -6.572 7 HG2 MET 1 HG2 MET 1 45.386 2.948 -4.520 8 HG3 MET 1 HG1 MET 1 43.721 2.954 -3.937 9 HE1 MET 1 HE1 MET 1 46.161 1.798 -2.487 10 HE2 MET 1 HE2 MET 1 46.989 1.142 -3.897 11 HE3 MET 1 HE3 MET 1 46.465 0.061 -2.609 12 H GLU 2 HN GLU 2 40.889 3.098 -4.040 13 HA GLU 2 HA GLU 2 39.872 0.372 -3.919 14 HB2 GLU 2 HB2 GLU 2 42.115 0.943 -2.429 15 HB3 GLU 2 HB1 GLU 2 40.809 1.248 -1.282 16 HG2 GLU 2 HG2 GLU 2 41.358 -1.077 -1.081 17 HG3 GLU 2 HG1 GLU 2 39.835 -0.995 -1.964 18 H GLU 3 HN GLU 3 38.149 0.160 -2.273 19 HA GLU 3 HA GLU 3 37.064 2.420 -0.945 20 HB2 GLU 3 HB2 GLU 3 36.612 2.911 -3.435 21 HB3 GLU 3 HB1 GLU 3 35.435 1.600 -3.341 22 HG2 GLU 3 HG2 GLU 3 34.801 3.022 -1.100 23 HG3 GLU 3 HG1 GLU 3 35.332 4.314 -2.173 24 H GLY 4 HN GLY 4 36.835 0.973 0.751 25 HA2 GLY 4 HA2 GLY 4 34.414 -0.332 1.093 26 HA3 GLY 4 HA1 GLY 4 35.540 -1.558 0.516 27 H GLY 5 HN GLY 5 35.376 1.067 2.930 28 HA2 GLY 5 HA2 GLY 5 36.301 1.241 5.040 29 HA3 GLY 5 HA1 GLY 5 35.720 -0.412 5.216 30 H ASP 6 HN ASP 6 37.694 -0.420 6.668 31 HA ASP 6 HA ASP 6 39.795 -1.241 7.097 32 HB2 ASP 6 HB2 ASP 6 38.939 -2.939 5.347 33 HB3 ASP 6 HB1 ASP 6 39.980 -2.081 4.214 34 H PHE 7 HN PHE 7 39.836 1.379 6.813 35 HA PHE 7 HA PHE 7 41.532 2.329 4.702 36 HB2 PHE 7 HB2 PHE 7 41.090 3.740 7.325 37 HB3 PHE 7 HB1 PHE 7 41.366 4.440 5.730 38 HD1 PHE 7 HD2 PHE 7 39.586 4.107 3.929 39 HD2 PHE 7 HD1 PHE 7 38.898 3.268 8.085 40 HE1 PHE 7 HE2 PHE 7 37.138 4.187 3.540 41 HE2 PHE 7 HE1 PHE 7 36.450 3.349 7.697 42 HZ PHE 7 HZ PHE 7 35.569 3.808 5.423 43 H ASP 8 HN ASP 8 42.810 0.158 5.759 44 HA ASP 8 HA ASP 8 45.214 1.404 6.899 45 HB2 ASP 8 HB2 ASP 8 43.789 -1.005 8.042 46 HB3 ASP 8 HB1 ASP 8 45.447 -0.566 8.450 47 H ASN 9 HN ASN 9 43.975 -0.177 4.417 48 HA ASN 9 HA ASN 9 45.423 -2.503 3.986 49 HB2 ASN 9 HB2 ASN 9 43.991 -0.566 2.348 50 HB3 ASN 9 HB1 ASN 9 45.361 -1.275 1.496 51 HD21 ASN 9 HD21 ASN 9 45.483 -3.811 1.799 52 HD22 ASN 9 HD22 ASN 9 44.000 -4.632 1.709 53 H TYR 10 HN TYR 10 47.212 -2.706 2.284 54 HA TYR 10 HA TYR 10 49.450 -2.462 1.839 55 HB2 TYR 10 HB2 TYR 10 48.254 -0.391 0.759 56 HB3 TYR 10 HB1 TYR 10 49.116 0.506 2.009 57 HD1 TYR 10 HD2 TYR 10 51.580 0.531 2.078 58 HD2 TYR 10 HD1 TYR 10 49.443 -1.502 -1.045 59 HE1 TYR 10 HE2 TYR 10 53.663 0.399 0.738 60 HE2 TYR 10 HE1 TYR 10 51.526 -1.633 -2.385 61 HH TYR 10 HH TYR 10 53.799 -1.431 -2.270 62 H TYR 11 HN TYR 11 50.771 -3.088 3.426 63 HA TYR 11 HA TYR 11 52.337 -2.815 5.113 64 HB2 TYR 11 HB2 TYR 11 52.087 -0.271 4.323 65 HB3 TYR 11 HB1 TYR 11 51.323 -0.132 5.907 66 HD1 TYR 11 HD2 TYR 11 54.407 -1.327 4.178 67 HD2 TYR 11 HD1 TYR 11 52.618 -0.114 7.890 68 HE1 TYR 11 HE2 TYR 11 56.639 -1.340 5.258 69 HE2 TYR 11 HE1 TYR 11 54.850 -0.127 8.970 70 HH TYR 11 HH TYR 11 57.763 -1.097 7.156 71 H GLY 12 HN GLY 12 49.844 -4.049 5.462 72 HA2 GLY 12 HA2 GLY 12 49.623 -4.684 8.041 73 HA3 GLY 12 HA1 GLY 12 48.760 -3.148 8.016 74 H ALA 13 HN ALA 13 48.734 -5.201 5.228 75 HA ALA 13 HA ALA 13 45.983 -6.086 5.860 76 HB1 ALA 13 HB1 ALA 13 46.865 -4.341 3.742 77 HB2 ALA 13 HB2 ALA 13 45.225 -4.836 4.163 78 HB3 ALA 13 HB3 ALA 13 46.188 -5.822 3.062 79 H ASP 14 HN ASP 14 49.079 -6.743 4.409 80 HA ASP 14 HA ASP 14 48.206 -9.340 3.386 81 HB2 ASP 14 HB2 ASP 14 50.825 -7.841 3.273 82 HB3 ASP 14 HB1 ASP 14 50.645 -9.495 2.692 83 H ASN 15 HN ASN 15 50.044 -7.948 6.026 84 HA ASN 15 HA ASN 15 51.436 -10.154 6.970 85 HB2 ASN 15 HB2 ASN 15 51.834 -8.078 8.036 86 HB3 ASN 15 HB1 ASN 15 50.127 -7.851 8.408 87 HD21 ASN 15 HD21 ASN 15 49.186 -9.659 9.914 88 HD22 ASN 15 HD22 ASN 15 50.203 -10.199 11.161 89 H GLN 16 HN GLN 16 48.022 -9.457 7.099 90 HA GLN 16 HA GLN 16 47.509 -11.648 8.967 91 HB2 GLN 16 HB2 GLN 16 45.334 -10.821 9.153 92 HB3 GLN 16 HB1 GLN 16 46.277 -9.352 8.892 93 HG2 GLN 16 HG2 GLN 16 45.814 -9.813 6.360 94 HG3 GLN 16 HG1 GLN 16 44.500 -10.822 6.963 95 HE21 GLN 16 HE21 GLN 16 45.829 -7.556 7.782 96 HE22 GLN 16 HE22 GLN 16 44.309 -6.801 7.836 97 H SER 17 HN SER 17 47.687 -11.082 5.600 98 HA SER 17 HA SER 17 45.914 -13.285 4.889 99 HB2 SER 17 HB2 SER 17 46.104 -12.553 2.695 100 HB3 SER 17 HB1 SER 17 46.337 -11.046 3.577 101 HG SER 17 HG SER 17 48.580 -11.365 3.383 102 H GLU 18 HN GLU 18 49.371 -12.532 4.928 103 HA GLU 18 HA GLU 18 50.436 -14.688 3.588 104 HB2 GLU 18 HB2 GLU 18 52.445 -14.235 4.672 105 HB3 GLU 18 HB1 GLU 18 51.588 -12.703 4.846 106 HG2 GLU 18 HG2 GLU 18 50.691 -13.728 7.068 107 HG3 GLU 18 HG1 GLU 18 52.039 -14.854 6.904 108 H CYS 19 HN CYS 19 48.716 -14.675 6.582 109 HA CYS 19 HA CYS 19 49.707 -17.142 7.624 110 HB2 CYS 19 HB2 CYS 19 47.160 -15.599 8.152 111 HB3 CYS 19 HB1 CYS 19 47.633 -17.047 9.041 112 HG CYS 19 HG CYS 19 49.829 -14.928 9.044 113 H GLU 20 HN GLU 20 47.107 -16.246 5.435 114 HA GLU 20 HA GLU 20 46.122 -19.000 5.328 115 HB2 GLU 20 HB2 GLU 20 44.334 -17.486 5.293 116 HB3 GLU 20 HB1 GLU 20 45.174 -16.372 4.214 117 HG2 GLU 20 HG2 GLU 20 44.801 -17.714 2.328 118 HG3 GLU 20 HG1 GLU 20 44.513 -19.159 3.294 119 H TYR 21 HN TYR 21 48.038 -16.739 3.486 120 HA TYR 21 HA TYR 21 47.951 -17.816 0.936 121 HB2 TYR 21 HB2 TYR 21 49.181 -15.763 1.492 122 HB3 TYR 21 HB1 TYR 21 50.369 -16.713 2.387 123 HD1 TYR 21 HD2 TYR 21 51.754 -18.435 1.162 124 HD2 TYR 21 HD1 TYR 21 49.281 -15.577 -0.880 125 HE1 TYR 21 HE2 TYR 21 53.000 -18.859 -0.940 126 HE2 TYR 21 HE1 TYR 21 50.528 -16.000 -2.982 127 HH TYR 21 HH TYR 21 53.322 -18.202 -3.049 128 H THR 22 HN THR 22 49.522 -19.041 3.809 129 HA THR 22 HA THR 22 51.066 -21.032 2.381 130 HB THR 22 HB THR 22 51.485 -21.882 4.750 131 HG1 THR 22 HG1 THR 22 50.335 -21.024 6.258 132 HG21 THR 22 HG21 THR 22 53.007 -20.039 5.258 133 HG22 THR 22 HG22 THR 22 52.112 -18.973 4.175 134 HG23 THR 22 HG23 THR 22 53.006 -20.346 3.522 135 H ASP 23 HN ASP 23 47.867 -20.731 3.489 136 HA ASP 23 HA ASP 23 47.484 -23.647 3.636 137 HB2 ASP 23 HB2 ASP 23 46.381 -21.476 5.070 138 HB3 ASP 23 HB1 ASP 23 45.077 -22.143 4.089 139 H TRP 24 HN TRP 24 45.971 -20.782 2.134 140 HA TRP 24 HA TRP 24 44.154 -21.977 0.466 141 HB2 TRP 24 HB2 TRP 24 43.991 -19.737 0.156 142 HB3 TRP 24 HB1 TRP 24 45.720 -19.480 0.395 143 HD1 TRP 24 HD1 TRP 24 43.179 -20.467 -2.292 144 HE1 TRP 24 HE1 TRP 24 44.257 -20.131 -4.609 145 HE3 TRP 24 HE3 TRP 24 47.955 -19.330 -0.885 146 HZ2 TRP 24 HZ2 TRP 24 46.808 -19.467 -5.720 147 HZ3 TRP 24 HZ3 TRP 24 49.687 -18.850 -2.592 148 HH2 TRP 24 HH2 TRP 24 49.121 -18.917 -5.005 149 H LYS 25 HN LYS 25 47.640 -21.642 -0.044 150 HA LYS 25 HA LYS 25 47.790 -22.555 -2.684 151 HB2 LYS 25 HB2 LYS 25 49.659 -21.560 -1.291 152 HB3 LYS 25 HB1 LYS 25 49.829 -23.144 -0.534 153 HG2 LYS 25 HG2 LYS 25 50.206 -24.164 -2.753 154 HG3 LYS 25 HG1 LYS 25 50.051 -22.576 -3.506 155 HD2 LYS 25 HD2 LYS 25 51.995 -21.759 -2.276 156 HD3 LYS 25 HD1 LYS 25 52.122 -23.290 -1.408 157 HE2 LYS 25 HE2 LYS 25 52.951 -24.422 -3.243 158 HE3 LYS 25 HE1 LYS 25 52.114 -23.381 -4.394 159 HZ1 LYS 25 HZ1 LYS 25 54.326 -22.387 -2.703 160 HZ2 LYS 25 HZ2 LYS 25 53.682 -21.690 -4.112 161 HZ3 LYS 25 HZ3 LYS 25 54.609 -23.111 -4.209 162 H SER 26 HN SER 26 47.313 -24.285 0.309 163 HA SER 26 HA SER 26 47.637 -26.870 -1.057 164 HB2 SER 26 HB2 SER 26 47.428 -26.079 1.845 165 HB3 SER 26 HB1 SER 26 47.288 -27.754 1.318 166 HG SER 26 HG SER 26 49.435 -27.295 1.796 167 H SER 27 HN SER 27 45.253 -24.828 0.525 168 HA SER 27 HA SER 27 43.165 -26.849 0.222 169 HB2 SER 27 HB2 SER 27 43.382 -24.200 1.588 170 HB3 SER 27 HB1 SER 27 41.785 -24.791 1.136 171 HG SER 27 HG SER 27 42.134 -25.666 3.095 172 H GLY 28 HN GLY 28 44.619 -25.121 -1.966 173 HA2 GLY 28 HA2 GLY 28 42.315 -23.817 -3.205 174 HA3 GLY 28 HA1 GLY 28 43.976 -23.776 -3.787 175 H ALA 29 HN ALA 29 43.111 -26.905 -2.938 176 HA ALA 29 HA ALA 29 42.621 -27.592 -5.771 177 HB1 ALA 29 HB1 ALA 29 43.732 -29.609 -5.425 178 HB2 ALA 29 HB2 ALA 29 43.448 -29.584 -3.685 179 HB3 ALA 29 HB3 ALA 29 44.649 -28.507 -4.397 180 H LEU 30 HN LEU 30 40.671 -26.773 -3.571 181 HA LEU 30 HA LEU 30 38.818 -29.026 -3.991 182 HB2 LEU 30 HB2 LEU 30 38.010 -28.785 -1.659 183 HB3 LEU 30 HB1 LEU 30 39.692 -29.312 -1.736 184 HG LEU 30 HG LEU 30 39.819 -26.510 -1.762 185 HD11 LEU 30 HD11 LEU 30 38.524 -25.879 0.245 186 HD12 LEU 30 HD12 LEU 30 37.839 -27.503 0.313 187 HD13 LEU 30 HD13 LEU 30 37.459 -26.442 -1.043 188 HD21 LEU 30 HD21 LEU 30 41.370 -28.087 -0.646 189 HD22 LEU 30 HD22 LEU 30 40.131 -28.445 0.557 190 HD23 LEU 30 HD23 LEU 30 40.829 -26.829 0.466 191 H ILE 31 HN ILE 31 39.347 -25.609 -3.380 192 HA ILE 31 HA ILE 31 36.596 -24.866 -3.341 193 HB ILE 31 HB ILE 31 38.681 -22.935 -4.214 194 HG12 ILE 31 HG12 ILE 31 38.675 -24.466 -1.628 195 HG13 ILE 31 HG11 ILE 31 40.043 -23.999 -2.638 196 HG21 ILE 31 HG21 ILE 31 37.406 -21.427 -2.940 197 HG22 ILE 31 HG22 ILE 31 36.735 -22.708 -1.929 198 HG23 ILE 31 HG23 ILE 31 36.184 -22.517 -3.594 199 HD11 ILE 31 HD11 ILE 31 40.192 -22.498 -0.838 200 HD12 ILE 31 HD12 ILE 31 38.443 -22.302 -0.736 201 HD13 ILE 31 HD13 ILE 31 39.337 -21.560 -2.062 202 HA PRO 32 HA PRO 32 37.626 -23.764 -8.006 203 HB2 PRO 32 HB2 PRO 32 39.212 -26.165 -8.708 204 HB3 PRO 32 HB1 PRO 32 39.471 -24.471 -9.160 205 HG2 PRO 32 HG2 PRO 32 41.035 -25.724 -7.390 206 HG3 PRO 32 HG1 PRO 32 40.645 -24.001 -7.254 207 HD2 PRO 32 HD2 PRO 32 39.544 -26.311 -5.696 208 HD3 PRO 32 HD1 PRO 32 39.903 -24.656 -5.158 209 H ALA 33 HN ALA 33 37.515 -27.178 -7.002 210 HA ALA 33 HA ALA 33 35.919 -28.173 -9.072 211 HB1 ALA 33 HB1 ALA 33 35.351 -29.992 -7.529 212 HB2 ALA 33 HB2 ALA 33 35.957 -29.042 -6.172 213 HB3 ALA 33 HB3 ALA 33 37.068 -29.603 -7.422 214 H ILE 34 HN ILE 34 34.806 -27.330 -5.781 215 HA ILE 34 HA ILE 34 32.081 -27.471 -6.238 216 HB ILE 34 HB ILE 34 33.766 -25.852 -4.358 217 HG12 ILE 34 HG12 ILE 34 32.661 -27.267 -2.704 218 HG13 ILE 34 HG11 ILE 34 31.584 -27.919 -3.939 219 HG21 ILE 34 HG21 ILE 34 31.474 -25.250 -3.293 220 HG22 ILE 34 HG22 ILE 34 30.814 -25.554 -4.899 221 HG23 ILE 34 HG23 ILE 34 32.025 -24.292 -4.666 222 HD11 ILE 34 HD11 ILE 34 33.386 -29.022 -5.062 223 HD12 ILE 34 HD12 ILE 34 33.584 -29.382 -3.347 224 HD13 ILE 34 HD13 ILE 34 34.594 -28.156 -4.113 225 H TYR 35 HN TYR 35 34.137 -24.565 -6.468 226 HA TYR 35 HA TYR 35 32.319 -22.686 -7.264 227 HB2 TYR 35 HB2 TYR 35 35.185 -23.095 -7.615 228 HB3 TYR 35 HB1 TYR 35 34.468 -22.194 -8.952 229 HD1 TYR 35 HD1 TYR 35 34.493 -22.348 -5.209 230 HD2 TYR 35 HD2 TYR 35 34.035 -19.901 -8.709 231 HE1 TYR 35 HE1 TYR 35 34.376 -20.325 -3.780 232 HE2 TYR 35 HE2 TYR 35 33.919 -17.878 -7.281 233 HH TYR 35 HH TYR 35 34.704 -17.205 -4.982 234 H MET 36 HN MET 36 34.057 -24.921 -9.435 235 HA MET 36 HA MET 36 32.762 -24.132 -11.806 236 HB2 MET 36 HB2 MET 36 34.343 -26.502 -10.929 237 HB3 MET 36 HB1 MET 36 33.399 -26.643 -12.413 238 HG2 MET 36 HG2 MET 36 35.796 -25.790 -12.686 239 HG3 MET 36 HG1 MET 36 34.534 -24.806 -13.429 240 HE1 MET 36 HE1 MET 36 34.004 -22.409 -12.857 241 HE2 MET 36 HE2 MET 36 35.557 -22.684 -13.643 242 HE3 MET 36 HE3 MET 36 35.433 -21.499 -12.346 243 H LEU 37 HN LEU 37 32.219 -27.104 -9.905 244 HA LEU 37 HA LEU 37 29.905 -27.942 -11.210 245 HB2 LEU 37 HB2 LEU 37 31.372 -29.116 -9.393 246 HB3 LEU 37 HB1 LEU 37 30.245 -28.370 -8.260 247 HG LEU 37 HG LEU 37 28.467 -29.361 -10.015 248 HD11 LEU 37 HD11 LEU 37 30.282 -30.309 -11.440 249 HD12 LEU 37 HD12 LEU 37 29.198 -31.552 -10.816 250 HD13 LEU 37 HD13 LEU 37 30.785 -31.317 -10.083 251 HD21 LEU 37 HD21 LEU 37 28.494 -31.463 -8.504 252 HD22 LEU 37 HD22 LEU 37 28.278 -29.900 -7.714 253 HD23 LEU 37 HD23 LEU 37 29.854 -30.693 -7.685 254 H VAL 38 HN VAL 38 30.320 -25.133 -9.472 255 HA VAL 38 HA VAL 38 27.420 -24.936 -8.899 256 HB VAL 38 HB VAL 38 29.765 -23.746 -7.411 257 HG11 VAL 38 HG11 VAL 38 27.777 -22.865 -5.952 258 HG12 VAL 38 HG12 VAL 38 26.840 -23.042 -7.435 259 HG13 VAL 38 HG13 VAL 38 28.239 -21.969 -7.399 260 HG21 VAL 38 HG21 VAL 38 28.635 -24.930 -5.500 261 HG22 VAL 38 HG22 VAL 38 29.224 -26.024 -6.751 262 HG23 VAL 38 HG23 VAL 38 27.508 -25.630 -6.661 263 H PHE 39 HN PHE 39 29.915 -23.869 -10.836 264 HA PHE 39 HA PHE 39 28.684 -21.219 -11.258 265 HB2 PHE 39 HB2 PHE 39 31.087 -21.174 -10.780 266 HB3 PHE 39 HB1 PHE 39 31.385 -22.269 -12.129 267 HD1 PHE 39 HD1 PHE 39 29.734 -18.992 -11.361 268 HD2 PHE 39 HD2 PHE 39 31.840 -21.378 -14.246 269 HE1 PHE 39 HE1 PHE 39 29.797 -17.059 -12.914 270 HE2 PHE 39 HE2 PHE 39 31.903 -19.447 -15.798 271 HZ PHE 39 HZ PHE 39 30.881 -17.287 -15.134 272 H LEU 40 HN LEU 40 29.032 -24.343 -12.610 273 HA LEU 40 HA LEU 40 28.064 -23.358 -15.228 274 HB2 LEU 40 HB2 LEU 40 29.090 -25.287 -16.256 275 HB3 LEU 40 HB1 LEU 40 30.304 -24.471 -15.269 276 HG LEU 40 HG LEU 40 29.151 -26.213 -13.465 277 HD11 LEU 40 HD11 LEU 40 29.563 -27.784 -16.014 278 HD12 LEU 40 HD12 LEU 40 27.970 -27.213 -15.521 279 HD13 LEU 40 HD13 LEU 40 28.859 -28.337 -14.495 280 HD21 LEU 40 HD21 LEU 40 31.252 -27.497 -13.736 281 HD22 LEU 40 HD22 LEU 40 31.559 -25.761 -13.766 282 HD23 LEU 40 HD23 LEU 40 31.548 -26.681 -15.271 283 H LEU 41 HN LEU 41 27.359 -25.213 -12.464 284 HA LEU 41 HA LEU 41 25.085 -26.510 -13.842 285 HB2 LEU 41 HB2 LEU 41 26.040 -28.366 -12.961 286 HB3 LEU 41 HB1 LEU 41 26.998 -27.447 -11.810 287 HG LEU 41 HG LEU 41 25.065 -27.253 -10.305 288 HD11 LEU 41 HD11 LEU 41 23.279 -29.150 -11.486 289 HD12 LEU 41 HD12 LEU 41 23.594 -27.901 -12.686 290 HD13 LEU 41 HD13 LEU 41 22.960 -27.462 -11.101 291 HD21 LEU 41 HD21 LEU 41 26.382 -29.669 -11.045 292 HD22 LEU 41 HD22 LEU 41 24.706 -30.066 -10.665 293 HD23 LEU 41 HD23 LEU 41 25.707 -29.233 -9.476 294 H GLY 42 HN GLY 42 26.114 -24.813 -10.909 295 HA2 GLY 42 HA2 GLY 42 23.353 -24.463 -10.039 296 HA3 GLY 42 HA1 GLY 42 24.795 -23.938 -9.178 297 H THR 43 HN THR 43 25.254 -22.981 -12.293 298 HA THR 43 HA THR 43 23.789 -20.439 -11.970 299 HB THR 43 HB THR 43 26.598 -20.397 -12.999 300 HG1 THR 43 HG1 THR 43 26.953 -19.776 -10.632 301 HG21 THR 43 HG21 THR 43 26.442 -18.132 -12.597 302 HG22 THR 43 HG22 THR 43 25.349 -18.345 -11.229 303 HG23 THR 43 HG23 THR 43 24.738 -18.490 -12.877 304 H THR 44 HN THR 44 23.583 -22.916 -13.698 305 HA THR 44 HA THR 44 23.551 -21.498 -16.292 306 HB THR 44 HB THR 44 24.209 -24.428 -15.973 307 HG1 THR 44 HG1 THR 44 26.213 -22.839 -16.834 308 HG21 THR 44 HG21 THR 44 25.020 -24.108 -18.317 309 HG22 THR 44 HG22 THR 44 24.391 -22.461 -18.269 310 HG23 THR 44 HG23 THR 44 23.287 -23.831 -18.141 311 H GLY 45 HN GLY 45 22.344 -24.317 -14.484 312 HA2 GLY 45 HA2 GLY 45 19.849 -24.202 -16.058 313 HA3 GLY 45 HA1 GLY 45 20.419 -25.603 -15.155 314 H ASN 46 HN ASN 46 21.112 -23.128 -13.185 315 HA ASN 46 HA ASN 46 18.605 -23.461 -11.679 316 HB2 ASN 46 HB2 ASN 46 21.355 -22.525 -10.835 317 HB3 ASN 46 HB1 ASN 46 19.950 -22.555 -9.770 318 HD21 ASN 46 HD21 ASN 46 21.376 -24.880 -12.150 319 HD22 ASN 46 HD22 ASN 46 21.327 -26.204 -11.089 320 H GLY 47 HN GLY 47 20.994 -20.887 -12.345 321 HA2 GLY 47 HA2 GLY 47 19.499 -18.709 -11.501 322 HA3 GLY 47 HA1 GLY 47 20.718 -18.640 -12.772 323 H LEU 48 HN LEU 48 19.543 -20.279 -14.687 324 HA LEU 48 HA LEU 48 17.817 -18.499 -16.008 325 HB2 LEU 48 HB2 LEU 48 19.195 -20.259 -17.126 326 HB3 LEU 48 HB1 LEU 48 18.099 -21.477 -16.480 327 HG LEU 48 HG LEU 48 16.206 -20.370 -17.664 328 HD11 LEU 48 HD11 LEU 48 16.696 -18.146 -18.039 329 HD12 LEU 48 HD12 LEU 48 17.180 -18.804 -19.600 330 HD13 LEU 48 HD13 LEU 48 18.397 -18.465 -18.373 331 HD21 LEU 48 HD21 LEU 48 18.550 -21.064 -19.460 332 HD22 LEU 48 HD22 LEU 48 16.845 -21.112 -19.913 333 HD23 LEU 48 HD23 LEU 48 17.471 -22.238 -18.708 334 H VAL 49 HN VAL 49 17.111 -21.568 -14.338 335 HA VAL 49 HA VAL 49 14.325 -21.529 -14.713 336 HB VAL 49 HB VAL 49 16.142 -22.835 -12.709 337 HG11 VAL 49 HG11 VAL 49 14.279 -22.491 -11.317 338 HG12 VAL 49 HG12 VAL 49 13.944 -24.067 -12.036 339 HG13 VAL 49 HG13 VAL 49 13.138 -22.626 -12.656 340 HG21 VAL 49 HG21 VAL 49 14.178 -23.936 -14.743 341 HG22 VAL 49 HG22 VAL 49 15.375 -24.856 -13.831 342 HG23 VAL 49 HG23 VAL 49 15.897 -23.697 -15.054 343 H LEU 50 HN LEU 50 16.011 -20.871 -11.636 344 HA LEU 50 HA LEU 50 13.943 -19.753 -10.227 345 HB2 LEU 50 HB2 LEU 50 16.812 -18.784 -10.188 346 HB3 LEU 50 HB1 LEU 50 15.623 -18.570 -8.904 347 HG LEU 50 HG LEU 50 16.616 -21.245 -9.938 348 HD11 LEU 50 HD11 LEU 50 17.713 -19.385 -8.029 349 HD12 LEU 50 HD12 LEU 50 18.351 -20.949 -8.538 350 HD13 LEU 50 HD13 LEU 50 17.208 -20.856 -7.197 351 HD21 LEU 50 HD21 LEU 50 14.533 -20.399 -7.951 352 HD22 LEU 50 HD22 LEU 50 15.464 -21.862 -7.630 353 HD23 LEU 50 HD23 LEU 50 14.503 -21.734 -9.102 354 H TRP 51 HN TRP 51 15.761 -18.339 -12.845 355 HA TRP 51 HA TRP 51 14.816 -15.648 -12.390 356 HB2 TRP 51 HB2 TRP 51 16.943 -15.912 -13.484 357 HB3 TRP 51 HB1 TRP 51 16.234 -16.950 -14.722 358 HD1 TRP 51 HD1 TRP 51 16.457 -13.315 -13.613 359 HE1 TRP 51 HE1 TRP 51 15.594 -11.806 -15.517 360 HE3 TRP 51 HE3 TRP 51 14.640 -16.867 -16.800 361 HZ2 TRP 51 HZ2 TRP 51 14.305 -12.070 -18.056 362 HZ3 TRP 51 HZ3 TRP 51 13.600 -16.211 -18.952 363 HH2 TRP 51 HH2 TRP 51 13.431 -13.820 -19.583 364 H THR 52 HN THR 52 14.129 -18.220 -14.758 365 HA THR 52 HA THR 52 12.118 -16.826 -16.167 366 HB THR 52 HB THR 52 12.682 -19.770 -15.810 367 HG1 THR 52 HG1 THR 52 12.811 -18.336 -18.201 368 HG21 THR 52 HG21 THR 52 10.472 -18.355 -17.273 369 HG22 THR 52 HG22 THR 52 10.398 -19.827 -16.304 370 HG23 THR 52 HG23 THR 52 11.125 -19.864 -17.911 371 H VAL 53 HN VAL 53 11.956 -19.069 -13.419 372 HA VAL 53 HA VAL 53 9.140 -19.133 -13.216 373 HB VAL 53 HB VAL 53 11.296 -19.589 -11.142 374 HG11 VAL 53 HG11 VAL 53 8.294 -19.844 -11.045 375 HG12 VAL 53 HG12 VAL 53 9.381 -19.138 -9.850 376 HG13 VAL 53 HG13 VAL 53 9.314 -20.889 -10.055 377 HG21 VAL 53 HG21 VAL 53 10.777 -21.963 -11.575 378 HG22 VAL 53 HG22 VAL 53 11.282 -21.157 -13.059 379 HG23 VAL 53 HG23 VAL 53 9.574 -21.487 -12.773 380 H PHE 54 HN PHE 54 11.574 -17.207 -11.465 381 HA PHE 54 HA PHE 54 9.936 -15.762 -9.783 382 HB2 PHE 54 HB2 PHE 54 12.539 -15.222 -11.122 383 HB3 PHE 54 HB1 PHE 54 11.707 -13.850 -10.389 384 HD1 PHE 54 HD2 PHE 54 11.807 -17.450 -9.366 385 HD2 PHE 54 HD1 PHE 54 12.827 -13.396 -8.374 386 HE1 PHE 54 HE2 PHE 54 12.560 -18.188 -7.121 387 HE2 PHE 54 HE1 PHE 54 13.580 -14.135 -6.129 388 HZ PHE 54 HZ PHE 54 13.446 -16.532 -5.503 389 H ARG 55 HN ARG 55 9.878 -15.793 -13.163 390 HA ARG 55 HA ARG 55 8.564 -13.157 -13.313 391 HB2 ARG 55 HB2 ARG 55 10.039 -14.868 -15.257 392 HB3 ARG 55 HB1 ARG 55 8.737 -13.854 -15.879 393 HG2 ARG 55 HG2 ARG 55 9.804 -11.875 -15.273 394 HG3 ARG 55 HG1 ARG 55 10.751 -12.656 -14.005 395 HD2 ARG 55 HD2 ARG 55 11.843 -11.973 -16.347 396 HD3 ARG 55 HD1 ARG 55 12.353 -13.414 -15.471 397 HE ARG 55 HE ARG 55 11.327 -14.724 -17.109 398 HH11 ARG 55 HH21 ARG 55 10.456 -11.387 -17.397 399 HH12 ARG 55 HH22 ARG 55 9.691 -11.577 -18.938 400 HH21 ARG 55 HH11 ARG 55 10.324 -14.981 -19.131 401 HH22 ARG 55 HH12 ARG 55 9.616 -13.611 -19.921 402 H LYS 56 HN LYS 56 7.993 -16.560 -13.461 403 HA LYS 56 HA LYS 56 5.369 -16.196 -14.712 404 HB2 LYS 56 HB2 LYS 56 5.439 -18.404 -15.265 405 HB3 LYS 56 HB1 LYS 56 7.171 -18.168 -15.043 406 HG2 LYS 56 HG2 LYS 56 6.807 -18.840 -12.595 407 HG3 LYS 56 HG1 LYS 56 5.194 -19.363 -13.079 408 HD2 LYS 56 HD2 LYS 56 7.647 -20.351 -14.541 409 HD3 LYS 56 HD1 LYS 56 7.079 -21.135 -13.070 410 HE2 LYS 56 HE2 LYS 56 5.449 -20.711 -15.592 411 HE3 LYS 56 HE1 LYS 56 6.129 -22.241 -15.044 412 HZ1 LYS 56 HZ1 LYS 56 4.696 -21.158 -12.920 413 HZ2 LYS 56 HZ2 LYS 56 4.325 -22.545 -13.828 414 HZ3 LYS 56 HZ3 LYS 56 3.706 -21.032 -14.292 415 H LYS 57 HN LYS 57 6.854 -16.836 -11.622 416 HA LYS 57 HA LYS 57 4.220 -17.290 -10.389 417 HB2 LYS 57 HB2 LYS 57 6.393 -18.722 -9.969 418 HB3 LYS 57 HB1 LYS 57 6.789 -17.408 -8.860 419 HG2 LYS 57 HG2 LYS 57 4.270 -17.774 -8.083 420 HG3 LYS 57 HG1 LYS 57 4.553 -19.391 -8.729 421 HD2 LYS 57 HD2 LYS 57 6.628 -19.525 -7.325 422 HD3 LYS 57 HD1 LYS 57 6.182 -17.982 -6.596 423 HE2 LYS 57 HE2 LYS 57 4.134 -18.915 -5.713 424 HE3 LYS 57 HE1 LYS 57 4.384 -20.421 -6.598 425 HZ1 LYS 57 HZ1 LYS 57 5.235 -21.017 -4.598 426 HZ2 LYS 57 HZ2 LYS 57 5.703 -19.438 -4.184 427 HZ3 LYS 57 HZ3 LYS 57 6.641 -20.346 -5.269 428 H GLY 58 HN GLY 58 6.515 -14.858 -10.935 429 HA2 GLY 58 HA2 GLY 58 5.962 -13.331 -8.527 430 HA3 GLY 58 HA1 GLY 58 6.962 -12.823 -9.886 431 H HIS 59 HN HIS 59 4.914 -13.421 -11.879 432 HA HIS 59 HA HIS 59 3.670 -10.927 -12.087 433 HB2 HIS 59 HB2 HIS 59 3.845 -13.246 -13.648 434 HB3 HIS 59 HB1 HIS 59 2.119 -13.002 -13.385 435 HD2 HIS 59 HD2 HIS 59 5.112 -11.222 -15.190 436 HE1 HIS 59 HE1 HIS 59 1.599 -9.037 -16.029 437 HE2 HIS 59 HE2 HIS 59 4.063 -9.284 -16.591 438 H HIS 60 HN HIS 60 2.922 -13.523 -10.044 439 HA HIS 60 HA HIS 60 0.368 -12.247 -9.329 440 HB2 HIS 60 HB2 HIS 60 0.808 -15.182 -9.888 441 HB3 HIS 60 HB1 HIS 60 -0.568 -14.579 -8.966 442 HD2 HIS 60 HD2 HIS 60 -0.049 -15.532 -12.482 443 HE1 HIS 60 HE1 HIS 60 -2.533 -12.130 -12.774 444 HE2 HIS 60 HE2 HIS 60 -1.613 -14.133 -14.037 445 H HIS 61 HN HIS 61 1.380 -11.362 -7.505 446 HA HIS 61 HA HIS 61 2.948 -12.842 -5.666 447 HB2 HIS 61 HB2 HIS 61 1.298 -10.337 -5.243 448 HB3 HIS 61 HB1 HIS 61 2.511 -10.957 -4.123 449 HD2 HIS 61 HD2 HIS 61 2.361 -9.174 -7.623 450 HE1 HIS 61 HE1 HIS 61 6.408 -9.423 -6.445 451 HE2 HIS 61 HE2 HIS 61 4.812 -8.456 -8.167 452 H HIS 62 HN HIS 62 0.804 -11.463 -3.649 453 HA HIS 62 HA HIS 62 -0.462 -14.047 -3.047 454 HB2 HIS 62 HB2 HIS 62 -0.152 -11.527 -1.400 455 HB3 HIS 62 HB1 HIS 62 -0.995 -12.978 -0.855 456 HD2 HIS 62 HD2 HIS 62 1.901 -12.035 0.580 457 HE1 HIS 62 HE1 HIS 62 3.439 -15.441 -1.386 458 HE2 HIS 62 HE2 HIS 62 3.864 -13.754 0.464 459 H HIS 63 HN HIS 63 -1.530 -10.686 -2.554 460 HA HIS 63 HA HIS 63 -4.249 -11.463 -3.279 461 HB2 HIS 63 HB2 HIS 63 -3.233 -8.758 -2.381 462 HB3 HIS 63 HB1 HIS 63 -4.906 -9.315 -2.405 463 HD2 HIS 63 HD2 HIS 63 -3.031 -8.589 0.433 464 HE1 HIS 63 HE1 HIS 63 -3.831 -12.659 1.214 465 HE2 HIS 63 HE2 HIS 63 -3.076 -10.467 2.247 466 H HIS 64 HN HIS 64 -2.843 -11.751 -5.505 467 HA HIS 64 HA HIS 64 -2.213 -9.691 -7.181 468 HB2 HIS 64 HB2 HIS 64 -3.374 -11.244 -8.988 469 HB3 HIS 64 HB1 HIS 64 -1.892 -11.748 -8.175 470 HD2 HIS 64 HD2 HIS 64 -5.712 -12.667 -8.194 471 HE1 HIS 64 HE1 HIS 64 -3.715 -15.417 -5.690 472 HE2 HIS 64 HE2 HIS 64 -5.931 -14.864 -6.800 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 11.951 -24.306 -17.146 2 H2 MET 1 HT2 MET 1 11.567 -22.651 -17.111 3 H3 MET 1 HT3 MET 1 12.918 -23.193 -17.985 4 HA MET 1 HA MET 1 10.598 -24.553 -18.860 5 HB2 MET 1 HB2 MET 1 10.469 -21.573 -18.542 6 HB3 MET 1 HB1 MET 1 9.746 -22.310 -19.973 7 HG2 MET 1 HG2 MET 1 8.214 -23.570 -18.701 8 HG3 MET 1 HG1 MET 1 9.153 -23.385 -17.221 9 HE1 MET 1 HE1 MET 1 5.867 -21.623 -16.385 10 HE2 MET 1 HE2 MET 1 7.268 -22.274 -15.537 11 HE3 MET 1 HE3 MET 1 6.518 -23.207 -16.830 12 H GLU 2 HN GLU 2 12.732 -21.779 -19.579 13 HA GLU 2 HA GLU 2 13.955 -23.278 -21.760 14 HB2 GLU 2 HB2 GLU 2 13.516 -21.554 -23.435 15 HB3 GLU 2 HB1 GLU 2 11.995 -22.198 -22.815 16 HG2 GLU 2 HG2 GLU 2 12.013 -20.263 -21.148 17 HG3 GLU 2 HG1 GLU 2 13.319 -19.573 -22.110 18 H GLU 3 HN GLU 3 15.859 -22.187 -22.628 19 HA GLU 3 HA GLU 3 17.578 -21.205 -20.681 20 HB2 GLU 3 HB2 GLU 3 18.344 -22.111 -22.837 21 HB3 GLU 3 HB1 GLU 3 17.689 -20.698 -23.664 22 HG2 GLU 3 HG2 GLU 3 19.283 -19.252 -22.741 23 HG3 GLU 3 HG1 GLU 3 19.639 -20.344 -21.403 24 H GLY 4 HN GLY 4 18.586 -19.063 -20.522 25 HA2 GLY 4 HA2 GLY 4 16.826 -16.834 -21.311 26 HA3 GLY 4 HA1 GLY 4 17.292 -17.011 -19.622 27 H GLY 5 HN GLY 5 19.497 -16.730 -19.030 28 HA2 GLY 5 HA2 GLY 5 21.760 -16.152 -19.453 29 HA3 GLY 5 HA1 GLY 5 21.304 -15.650 -21.079 30 H ASP 6 HN ASP 6 21.934 -14.623 -17.908 31 HA ASP 6 HA ASP 6 21.939 -11.893 -18.524 32 HB2 ASP 6 HB2 ASP 6 19.934 -11.302 -16.975 33 HB3 ASP 6 HB1 ASP 6 19.612 -11.761 -18.646 34 H PHE 7 HN PHE 7 23.863 -13.077 -17.327 35 HA PHE 7 HA PHE 7 23.888 -13.667 -14.640 36 HB2 PHE 7 HB2 PHE 7 25.948 -12.278 -16.354 37 HB3 PHE 7 HB1 PHE 7 26.260 -12.731 -14.678 38 HD1 PHE 7 HD1 PHE 7 25.398 -14.039 -18.044 39 HD2 PHE 7 HD2 PHE 7 26.629 -15.015 -14.046 40 HE1 PHE 7 HE1 PHE 7 25.888 -16.362 -18.761 41 HE2 PHE 7 HE2 PHE 7 27.119 -17.338 -14.763 42 HZ PHE 7 HZ PHE 7 26.748 -18.012 -17.121 43 H ASP 8 HN ASP 8 23.858 -12.553 -12.749 44 HA ASP 8 HA ASP 8 22.919 -9.812 -12.837 45 HB2 ASP 8 HB2 ASP 8 22.957 -10.136 -10.286 46 HB3 ASP 8 HB1 ASP 8 21.833 -11.129 -11.211 47 H ASN 9 HN ASN 9 25.824 -11.554 -11.855 48 HA ASN 9 HA ASN 9 27.827 -10.794 -10.970 49 HB2 ASN 9 HB2 ASN 9 28.898 -9.170 -12.524 50 HB3 ASN 9 HB1 ASN 9 28.136 -10.530 -13.349 51 HD21 ASN 9 HD21 ASN 9 28.154 -7.075 -13.062 52 HD22 ASN 9 HD22 ASN 9 26.832 -6.777 -14.084 53 H TYR 10 HN TYR 10 28.096 -7.681 -11.876 54 HA TYR 10 HA TYR 10 28.404 -6.491 -9.473 55 HB2 TYR 10 HB2 TYR 10 28.886 -5.038 -11.188 56 HB3 TYR 10 HB1 TYR 10 27.439 -5.466 -12.101 57 HD1 TYR 10 HD1 TYR 10 28.062 -4.218 -8.614 58 HD2 TYR 10 HD2 TYR 10 26.005 -3.639 -12.342 59 HE1 TYR 10 HE1 TYR 10 26.882 -2.256 -7.660 60 HE2 TYR 10 HE2 TYR 10 24.828 -1.678 -11.388 61 HH TYR 10 HH TYR 10 24.647 -1.039 -8.150 62 H TYR 11 HN TYR 11 27.200 -6.122 -7.734 63 HA TYR 11 HA TYR 11 25.365 -5.579 -6.435 64 HB2 TYR 11 HB2 TYR 11 24.636 -4.434 -8.739 65 HB3 TYR 11 HB1 TYR 11 23.452 -5.740 -8.710 66 HD1 TYR 11 HD1 TYR 11 24.778 -2.842 -6.795 67 HD2 TYR 11 HD2 TYR 11 21.623 -5.732 -7.174 68 HE1 TYR 11 HE1 TYR 11 23.431 -1.587 -5.134 69 HE2 TYR 11 HE2 TYR 11 20.275 -4.477 -5.513 70 HH TYR 11 HH TYR 11 21.493 -2.255 -3.460 71 H GLY 12 HN GLY 12 26.306 -8.211 -6.919 72 HA2 GLY 12 HA2 GLY 12 24.291 -9.753 -5.742 73 HA3 GLY 12 HA1 GLY 12 24.243 -10.061 -7.475 74 H ALA 13 HN ALA 13 27.202 -9.506 -7.590 75 HA ALA 13 HA ALA 13 28.102 -12.140 -6.585 76 HB1 ALA 13 HB1 ALA 13 29.038 -10.540 -8.977 77 HB2 ALA 13 HB2 ALA 13 28.129 -12.051 -9.011 78 HB3 ALA 13 HB3 ALA 13 29.788 -12.033 -8.416 79 H ASP 14 HN ASP 14 28.586 -8.738 -6.517 80 HA ASP 14 HA ASP 14 31.224 -9.032 -5.245 81 HB2 ASP 14 HB2 ASP 14 31.351 -6.565 -5.497 82 HB3 ASP 14 HB1 ASP 14 31.127 -7.395 -7.036 83 H ASN 15 HN ASN 15 27.912 -8.406 -4.580 84 HA ASN 15 HA ASN 15 28.126 -6.866 -2.235 85 HB2 ASN 15 HB2 ASN 15 25.988 -7.132 -3.328 86 HB3 ASN 15 HB1 ASN 15 26.036 -8.878 -3.086 87 HD21 ASN 15 HD21 ASN 15 24.766 -6.050 -1.782 88 HD22 ASN 15 HD22 ASN 15 24.491 -6.599 -0.199 89 H GLN 16 HN GLN 16 28.449 -10.305 -2.837 90 HA GLN 16 HA GLN 16 28.763 -10.815 0.046 91 HB2 GLN 16 HB2 GLN 16 28.432 -13.124 -0.443 92 HB3 GLN 16 HB1 GLN 16 27.228 -12.248 -1.388 93 HG2 GLN 16 HG2 GLN 16 28.065 -13.583 -3.063 94 HG3 GLN 16 HG1 GLN 16 29.217 -12.253 -3.186 95 HE21 GLN 16 HE21 GLN 16 31.324 -13.016 -3.309 96 HE22 GLN 16 HE22 GLN 16 31.911 -14.396 -2.514 97 H SER 17 HN SER 17 30.653 -9.846 -2.409 98 HA SER 17 HA SER 17 32.928 -11.589 -1.732 99 HB2 SER 17 HB2 SER 17 33.834 -11.083 -3.788 100 HB3 SER 17 HB1 SER 17 32.122 -10.913 -4.168 101 HG SER 17 HG SER 17 32.358 -8.667 -3.724 102 H GLU 18 HN GLU 18 31.874 -8.217 -1.750 103 HA GLU 18 HA GLU 18 34.186 -6.868 -1.143 104 HB2 GLU 18 HB2 GLU 18 32.853 -5.140 -0.355 105 HB3 GLU 18 HB1 GLU 18 31.696 -6.051 -1.327 106 HG2 GLU 18 HG2 GLU 18 31.210 -7.349 0.874 107 HG3 GLU 18 HG1 GLU 18 31.994 -5.984 1.670 108 H CYS 19 HN CYS 19 32.433 -9.109 0.854 109 HA CYS 19 HA CYS 19 33.945 -8.377 3.250 110 HB2 CYS 19 HB2 CYS 19 31.457 -9.019 3.233 111 HB3 CYS 19 HB1 CYS 19 32.014 -10.675 2.989 112 HG CYS 19 HG CYS 19 33.425 -10.359 5.265 113 H GLU 20 HN GLU 20 33.840 -10.806 0.752 114 HA GLU 20 HA GLU 20 35.741 -12.527 2.158 115 HB2 GLU 20 HB2 GLU 20 33.829 -13.490 0.854 116 HB3 GLU 20 HB1 GLU 20 34.565 -12.844 -0.613 117 HG2 GLU 20 HG2 GLU 20 36.487 -14.235 -0.382 118 HG3 GLU 20 HG1 GLU 20 36.069 -14.664 1.276 119 H TYR 21 HN TYR 21 35.799 -9.846 0.150 120 HA TYR 21 HA TYR 21 37.797 -10.215 -1.697 121 HB2 TYR 21 HB2 TYR 21 36.968 -8.073 -1.778 122 HB3 TYR 21 HB1 TYR 21 36.922 -7.914 -0.021 123 HD1 TYR 21 HD1 TYR 21 39.363 -8.291 -2.841 124 HD2 TYR 21 HD2 TYR 21 38.587 -6.672 1.061 125 HE1 TYR 21 HE1 TYR 21 41.554 -7.129 -2.888 126 HE2 TYR 21 HE2 TYR 21 40.776 -5.509 1.014 127 HH TYR 21 HH TYR 21 43.145 -6.110 -0.444 128 H THR 22 HN THR 22 38.097 -9.834 1.785 129 HA THR 22 HA THR 22 40.958 -9.619 1.790 130 HB THR 22 HB THR 22 40.728 -9.943 4.230 131 HG1 THR 22 HG1 THR 22 37.952 -10.025 3.885 132 HG21 THR 22 HG21 THR 22 38.597 -8.096 3.125 133 HG22 THR 22 HG22 THR 22 40.322 -7.723 3.126 134 HG23 THR 22 HG23 THR 22 39.462 -7.923 4.652 135 H ASP 23 HN ASP 23 38.715 -12.239 1.637 136 HA ASP 23 HA ASP 23 40.810 -14.180 2.373 137 HB2 ASP 23 HB2 ASP 23 37.908 -14.099 2.643 138 HB3 ASP 23 HB1 ASP 23 38.477 -15.602 1.916 139 H TRP 24 HN TRP 24 38.226 -13.835 -0.073 140 HA TRP 24 HA TRP 24 38.791 -15.789 -1.838 141 HB2 TRP 24 HB2 TRP 24 37.125 -14.549 -2.742 142 HB3 TRP 24 HB1 TRP 24 37.782 -13.034 -2.118 143 HD1 TRP 24 HD1 TRP 24 37.894 -15.347 -5.124 144 HE1 TRP 24 HE1 TRP 24 39.165 -14.182 -7.041 145 HE3 TRP 24 HE3 TRP 24 39.677 -11.257 -2.642 146 HZ2 TRP 24 HZ2 TRP 24 40.731 -11.825 -7.465 147 HZ3 TRP 24 HZ3 TRP 24 41.055 -9.570 -3.824 148 HH2 TRP 24 HH2 TRP 24 41.583 -9.848 -6.230 149 H LYS 25 HN LYS 25 40.645 -12.788 -1.501 150 HA LYS 25 HA LYS 25 42.299 -12.867 -3.678 151 HB2 LYS 25 HB2 LYS 25 42.271 -11.254 -1.633 152 HB3 LYS 25 HB1 LYS 25 43.479 -12.354 -0.964 153 HG2 LYS 25 HG2 LYS 25 44.843 -12.076 -3.019 154 HG3 LYS 25 HG1 LYS 25 43.654 -10.928 -3.636 155 HD2 LYS 25 HD2 LYS 25 44.102 -9.827 -1.214 156 HD3 LYS 25 HD1 LYS 25 45.671 -10.589 -1.476 157 HE2 LYS 25 HE2 LYS 25 45.735 -9.491 -3.747 158 HE3 LYS 25 HE1 LYS 25 44.283 -8.600 -3.291 159 HZ1 LYS 25 HZ1 LYS 25 45.490 -7.718 -1.376 160 HZ2 LYS 25 HZ2 LYS 25 46.245 -7.297 -2.839 161 HZ3 LYS 25 HZ3 LYS 25 46.890 -8.537 -1.871 162 H SER 26 HN SER 26 42.513 -14.822 -0.754 163 HA SER 26 HA SER 26 44.736 -16.352 -1.962 164 HB2 SER 26 HB2 SER 26 45.164 -15.333 0.273 165 HB3 SER 26 HB1 SER 26 43.837 -16.290 0.927 166 HG SER 26 HG SER 26 45.119 -18.098 -0.165 167 H SER 27 HN SER 27 41.561 -16.613 -0.437 168 HA SER 27 HA SER 27 41.512 -19.505 -0.860 169 HB2 SER 27 HB2 SER 27 39.076 -18.120 0.067 170 HB3 SER 27 HB1 SER 27 39.861 -19.566 0.694 171 HG SER 27 HG SER 27 41.572 -17.899 1.313 172 H GLY 28 HN GLY 28 41.522 -17.502 -3.092 173 HA2 GLY 28 HA2 GLY 28 39.024 -18.387 -4.418 174 HA3 GLY 28 HA1 GLY 28 39.692 -16.775 -4.651 175 H ALA 29 HN ALA 29 41.745 -19.577 -4.352 176 HA ALA 29 HA ALA 29 42.280 -19.505 -7.261 177 HB1 ALA 29 HB1 ALA 29 44.545 -20.173 -5.483 178 HB2 ALA 29 HB2 ALA 29 44.012 -18.492 -5.433 179 HB3 ALA 29 HB3 ALA 29 44.513 -19.214 -6.963 180 H LEU 30 HN LEU 30 40.819 -21.309 -5.172 181 HA LEU 30 HA LEU 30 41.663 -23.794 -6.420 182 HB2 LEU 30 HB2 LEU 30 41.796 -24.897 -4.103 183 HB3 LEU 30 HB1 LEU 30 43.174 -23.920 -4.612 184 HG LEU 30 HG LEU 30 41.095 -22.354 -3.261 185 HD11 LEU 30 HD11 LEU 30 42.547 -24.556 -1.760 186 HD12 LEU 30 HD12 LEU 30 40.802 -24.421 -1.985 187 HD13 LEU 30 HD13 LEU 30 41.659 -23.235 -0.999 188 HD21 LEU 30 HD21 LEU 30 44.003 -22.768 -2.531 189 HD22 LEU 30 HD22 LEU 30 42.997 -21.356 -2.211 190 HD23 LEU 30 HD23 LEU 30 43.504 -21.721 -3.861 191 H ILE 31 HN ILE 31 39.542 -22.106 -4.156 192 HA ILE 31 HA ILE 31 37.580 -24.193 -4.069 193 HB ILE 31 HB ILE 31 36.926 -21.336 -3.459 194 HG12 ILE 31 HG12 ILE 31 38.815 -23.157 -1.956 195 HG13 ILE 31 HG11 ILE 31 39.076 -21.482 -2.442 196 HG21 ILE 31 HG21 ILE 31 36.359 -23.691 -1.709 197 HG22 ILE 31 HG22 ILE 31 35.475 -23.566 -3.229 198 HG23 ILE 31 HG23 ILE 31 35.365 -22.272 -2.036 199 HD11 ILE 31 HD11 ILE 31 37.295 -22.542 -0.251 200 HD12 ILE 31 HD12 ILE 31 37.040 -20.938 -0.938 201 HD13 ILE 31 HD13 ILE 31 38.565 -21.324 -0.142 202 HA PRO 32 HA PRO 32 35.429 -21.078 -7.229 203 HB2 PRO 32 HB2 PRO 32 37.816 -20.665 -8.954 204 HB3 PRO 32 HB1 PRO 32 36.536 -19.523 -8.503 205 HG2 PRO 32 HG2 PRO 32 38.979 -19.364 -7.456 206 HG3 PRO 32 HG1 PRO 32 37.531 -18.988 -6.506 207 HD2 PRO 32 HD2 PRO 32 39.263 -21.424 -6.423 208 HD3 PRO 32 HD1 PRO 32 38.412 -20.603 -5.096 209 H ALA 33 HN ALA 33 37.825 -23.535 -7.681 210 HA ALA 33 HA ALA 33 37.156 -24.407 -10.278 211 HB1 ALA 33 HB1 ALA 33 38.294 -25.911 -7.913 212 HB2 ALA 33 HB2 ALA 33 39.193 -25.179 -9.242 213 HB3 ALA 33 HB3 ALA 33 38.166 -26.582 -9.539 214 H ILE 34 HN ILE 34 36.358 -26.132 -7.258 215 HA ILE 34 HA ILE 34 34.322 -27.698 -8.382 216 HB ILE 34 HB ILE 34 35.026 -26.887 -5.583 217 HG12 ILE 34 HG12 ILE 34 34.671 -29.608 -6.868 218 HG13 ILE 34 HG11 ILE 34 36.195 -28.720 -6.904 219 HG21 ILE 34 HG21 ILE 34 32.476 -28.197 -6.529 220 HG22 ILE 34 HG22 ILE 34 32.677 -26.910 -5.338 221 HG23 ILE 34 HG23 ILE 34 33.142 -28.561 -4.937 222 HD11 ILE 34 HD11 ILE 34 36.637 -29.149 -4.718 223 HD12 ILE 34 HD12 ILE 34 35.459 -30.448 -4.908 224 HD13 ILE 34 HD13 ILE 34 34.959 -28.896 -4.236 225 H TYR 35 HN TYR 35 34.154 -24.617 -6.617 226 HA TYR 35 HA TYR 35 31.472 -24.200 -6.394 227 HB2 TYR 35 HB2 TYR 35 33.790 -22.556 -6.452 228 HB3 TYR 35 HB1 TYR 35 32.574 -21.795 -7.479 229 HD1 TYR 35 HD1 TYR 35 30.416 -21.076 -6.568 230 HD2 TYR 35 HD2 TYR 35 33.392 -22.904 -4.070 231 HE1 TYR 35 HE1 TYR 35 29.182 -20.327 -4.551 232 HE2 TYR 35 HE2 TYR 35 32.160 -22.157 -2.052 233 HH TYR 35 HH TYR 35 28.987 -20.644 -2.295 234 H MET 36 HN MET 36 33.394 -23.346 -9.282 235 HA MET 36 HA MET 36 31.273 -22.590 -10.926 236 HB2 MET 36 HB2 MET 36 34.051 -23.541 -11.360 237 HB3 MET 36 HB1 MET 36 32.960 -23.638 -12.742 238 HG2 MET 36 HG2 MET 36 33.292 -21.137 -11.072 239 HG3 MET 36 HG1 MET 36 34.224 -21.450 -12.536 240 HE1 MET 36 HE1 MET 36 30.905 -20.279 -10.994 241 HE2 MET 36 HE2 MET 36 30.552 -19.198 -12.339 242 HE3 MET 36 HE3 MET 36 32.139 -19.153 -11.577 243 H LEU 37 HN LEU 37 32.923 -25.754 -10.859 244 HA LEU 37 HA LEU 37 31.318 -27.156 -12.594 245 HB2 LEU 37 HB2 LEU 37 33.392 -27.963 -11.335 246 HB3 LEU 37 HB1 LEU 37 32.304 -28.343 -10.000 247 HG LEU 37 HG LEU 37 30.930 -29.518 -11.979 248 HD11 LEU 37 HD11 LEU 37 32.249 -30.342 -13.726 249 HD12 LEU 37 HD12 LEU 37 33.753 -30.096 -12.836 250 HD13 LEU 37 HD13 LEU 37 32.896 -28.715 -13.521 251 HD21 LEU 37 HD21 LEU 37 31.718 -30.615 -9.924 252 HD22 LEU 37 HD22 LEU 37 33.352 -30.696 -10.580 253 HD23 LEU 37 HD23 LEU 37 32.057 -31.632 -11.325 254 H VAL 38 HN VAL 38 30.753 -26.478 -9.163 255 HA VAL 38 HA VAL 38 28.252 -27.935 -9.134 256 HB VAL 38 HB VAL 38 29.630 -26.156 -7.121 257 HG11 VAL 38 HG11 VAL 38 26.931 -27.510 -7.059 258 HG12 VAL 38 HG12 VAL 38 27.330 -25.843 -6.642 259 HG13 VAL 38 HG13 VAL 38 27.820 -27.160 -5.576 260 HG21 VAL 38 HG21 VAL 38 30.428 -28.550 -7.714 261 HG22 VAL 38 HG22 VAL 38 28.952 -29.091 -6.914 262 HG23 VAL 38 HG23 VAL 38 30.162 -28.177 -6.011 263 H PHE 39 HN PHE 39 29.278 -24.705 -9.831 264 HA PHE 39 HA PHE 39 26.720 -23.470 -9.322 265 HB2 PHE 39 HB2 PHE 39 28.971 -22.283 -9.277 266 HB3 PHE 39 HB1 PHE 39 28.946 -22.365 -11.037 267 HD1 PHE 39 HD1 PHE 39 27.072 -21.271 -12.308 268 HD2 PHE 39 HD2 PHE 39 27.618 -20.719 -8.083 269 HE1 PHE 39 HE1 PHE 39 25.603 -19.274 -12.378 270 HE2 PHE 39 HE2 PHE 39 26.150 -18.723 -8.153 271 HZ PHE 39 HZ PHE 39 25.141 -18.001 -10.301 272 H LEU 40 HN LEU 40 28.581 -24.037 -12.322 273 HA LEU 40 HA LEU 40 26.435 -23.441 -14.061 274 HB2 LEU 40 HB2 LEU 40 27.800 -24.557 -15.795 275 HB3 LEU 40 HB1 LEU 40 28.752 -23.427 -14.834 276 HG LEU 40 HG LEU 40 28.999 -25.764 -13.393 277 HD11 LEU 40 HD11 LEU 40 29.333 -26.526 -16.300 278 HD12 LEU 40 HD12 LEU 40 27.849 -26.873 -15.412 279 HD13 LEU 40 HD13 LEU 40 29.378 -27.578 -14.885 280 HD21 LEU 40 HD21 LEU 40 30.714 -24.538 -15.568 281 HD22 LEU 40 HD22 LEU 40 31.275 -25.870 -14.557 282 HD23 LEU 40 HD23 LEU 40 30.862 -24.321 -13.824 283 H LEU 41 HN LEU 41 26.592 -25.855 -11.878 284 HA LEU 41 HA LEU 41 25.343 -27.909 -13.558 285 HB2 LEU 41 HB2 LEU 41 26.825 -27.879 -11.049 286 HB3 LEU 41 HB1 LEU 41 25.342 -28.826 -10.935 287 HG LEU 41 HG LEU 41 27.322 -29.132 -13.206 288 HD11 LEU 41 HD11 LEU 41 27.445 -30.075 -10.442 289 HD12 LEU 41 HD12 LEU 41 28.681 -30.127 -11.699 290 HD13 LEU 41 HD13 LEU 41 27.467 -31.403 -11.603 291 HD21 LEU 41 HD21 LEU 41 25.832 -30.619 -14.027 292 HD22 LEU 41 HD22 LEU 41 24.684 -30.032 -12.824 293 HD23 LEU 41 HD23 LEU 41 25.700 -31.428 -12.465 294 H GLY 42 HN GLY 42 24.625 -26.848 -10.238 295 HA2 GLY 42 HA2 GLY 42 21.771 -27.171 -10.770 296 HA3 GLY 42 HA1 GLY 42 22.518 -26.917 -9.197 297 H THR 43 HN THR 43 23.670 -24.796 -11.595 298 HA THR 43 HA THR 43 21.732 -22.705 -10.827 299 HB THR 43 HB THR 43 24.487 -21.764 -11.204 300 HG1 THR 43 HG1 THR 43 23.909 -23.019 -8.764 301 HG21 THR 43 HG21 THR 43 22.587 -20.362 -10.451 302 HG22 THR 43 HG22 THR 43 23.882 -20.407 -9.255 303 HG23 THR 43 HG23 THR 43 22.426 -21.375 -9.017 304 H THR 44 HN THR 44 22.134 -24.395 -13.244 305 HA THR 44 HA THR 44 22.428 -22.194 -15.198 306 HB THR 44 HB THR 44 23.616 -24.952 -15.246 307 HG1 THR 44 HG1 THR 44 24.438 -22.391 -15.172 308 HG21 THR 44 HG21 THR 44 22.646 -23.307 -17.572 309 HG22 THR 44 HG22 THR 44 22.473 -25.041 -17.296 310 HG23 THR 44 HG23 THR 44 24.041 -24.372 -17.746 311 H GLY 45 HN GLY 45 21.209 -25.498 -14.690 312 HA2 GLY 45 HA2 GLY 45 18.943 -24.880 -16.490 313 HA3 GLY 45 HA1 GLY 45 19.561 -26.500 -16.176 314 H ASN 46 HN ASN 46 19.699 -24.848 -13.330 315 HA ASN 46 HA ASN 46 17.034 -25.810 -12.472 316 HB2 ASN 46 HB2 ASN 46 19.673 -25.797 -11.001 317 HB3 ASN 46 HB1 ASN 46 18.124 -26.098 -10.216 318 HD21 ASN 46 HD21 ASN 46 20.494 -27.442 -12.473 319 HD22 ASN 46 HD22 ASN 46 19.810 -28.995 -12.537 320 H GLY 47 HN GLY 47 19.603 -23.692 -11.189 321 HA2 GLY 47 HA2 GLY 47 17.887 -21.985 -9.769 322 HA3 GLY 47 HA1 GLY 47 19.524 -21.582 -10.279 323 H LEU 48 HN LEU 48 19.409 -21.522 -12.967 324 HA LEU 48 HA LEU 48 18.396 -19.035 -13.602 325 HB2 LEU 48 HB2 LEU 48 19.797 -20.995 -14.959 326 HB3 LEU 48 HB1 LEU 48 18.287 -20.886 -15.863 327 HG LEU 48 HG LEU 48 18.585 -18.384 -15.918 328 HD11 LEU 48 HD11 LEU 48 20.686 -19.025 -14.090 329 HD12 LEU 48 HD12 LEU 48 20.191 -17.432 -14.662 330 HD13 LEU 48 HD13 LEU 48 21.422 -18.339 -15.539 331 HD21 LEU 48 HD21 LEU 48 20.133 -20.429 -17.324 332 HD22 LEU 48 HD22 LEU 48 20.928 -18.854 -17.342 333 HD23 LEU 48 HD23 LEU 48 19.288 -19.022 -17.971 334 H VAL 49 HN VAL 49 16.845 -22.198 -14.116 335 HA VAL 49 HA VAL 49 14.493 -21.198 -15.317 336 HB VAL 49 HB VAL 49 15.204 -23.750 -13.901 337 HG11 VAL 49 HG11 VAL 49 12.842 -24.471 -14.736 338 HG12 VAL 49 HG12 VAL 49 12.475 -22.746 -14.689 339 HG13 VAL 49 HG13 VAL 49 12.961 -23.585 -13.216 340 HG21 VAL 49 HG21 VAL 49 15.919 -23.359 -16.248 341 HG22 VAL 49 HG22 VAL 49 14.236 -23.095 -16.704 342 HG23 VAL 49 HG23 VAL 49 14.757 -24.680 -16.134 343 H LEU 50 HN LEU 50 14.940 -22.427 -11.991 344 HA LEU 50 HA LEU 50 12.484 -21.515 -10.990 345 HB2 LEU 50 HB2 LEU 50 15.095 -21.881 -9.499 346 HB3 LEU 50 HB1 LEU 50 13.492 -21.800 -8.768 347 HG LEU 50 HG LEU 50 14.380 -23.884 -10.789 348 HD11 LEU 50 HD11 LEU 50 14.437 -25.431 -8.925 349 HD12 LEU 50 HD12 LEU 50 13.848 -24.189 -7.820 350 HD13 LEU 50 HD13 LEU 50 15.460 -24.052 -8.524 351 HD21 LEU 50 HD21 LEU 50 12.198 -24.943 -9.698 352 HD22 LEU 50 HD22 LEU 50 12.075 -23.823 -11.054 353 HD23 LEU 50 HD23 LEU 50 11.792 -23.251 -9.411 354 H TRP 51 HN TRP 51 15.422 -19.833 -11.686 355 HA TRP 51 HA TRP 51 14.788 -17.538 -10.023 356 HB2 TRP 51 HB2 TRP 51 17.124 -18.068 -10.333 357 HB3 TRP 51 HB1 TRP 51 16.942 -18.022 -12.086 358 HD1 TRP 51 HD1 TRP 51 17.148 -15.772 -9.026 359 HE1 TRP 51 HE1 TRP 51 17.499 -13.339 -9.801 360 HE3 TRP 51 HE3 TRP 51 16.517 -16.346 -14.061 361 HZ2 TRP 51 HZ2 TRP 51 17.513 -11.834 -12.232 362 HZ3 TRP 51 HZ3 TRP 51 16.705 -14.398 -15.581 363 HH2 TRP 51 HH2 TRP 51 17.202 -12.145 -14.673 364 H THR 52 HN THR 52 14.714 -18.414 -13.447 365 HA THR 52 HA THR 52 13.864 -15.819 -14.335 366 HB THR 52 HB THR 52 13.807 -18.525 -15.692 367 HG1 THR 52 HG1 THR 52 15.546 -17.335 -16.864 368 HG21 THR 52 HG21 THR 52 12.211 -17.301 -16.883 369 HG22 THR 52 HG22 THR 52 13.696 -16.918 -17.753 370 HG23 THR 52 HG23 THR 52 13.032 -15.766 -16.596 371 H VAL 53 HN VAL 53 12.237 -18.956 -13.886 372 HA VAL 53 HA VAL 53 9.668 -18.190 -14.661 373 HB VAL 53 HB VAL 53 10.661 -20.247 -12.694 374 HG11 VAL 53 HG11 VAL 53 8.205 -21.106 -13.008 375 HG12 VAL 53 HG12 VAL 53 7.852 -19.419 -13.379 376 HG13 VAL 53 HG13 VAL 53 8.528 -19.853 -11.810 377 HG21 VAL 53 HG21 VAL 53 9.147 -20.747 -15.239 378 HG22 VAL 53 HG22 VAL 53 10.352 -21.759 -14.443 379 HG23 VAL 53 HG23 VAL 53 10.855 -20.317 -15.326 380 H PHE 54 HN PHE 54 11.365 -17.761 -11.613 381 HA PHE 54 HA PHE 54 9.084 -16.852 -10.139 382 HB2 PHE 54 HB2 PHE 54 12.021 -17.010 -9.698 383 HB3 PHE 54 HB1 PHE 54 11.126 -15.834 -8.733 384 HD1 PHE 54 HD1 PHE 54 10.196 -19.226 -10.035 385 HD2 PHE 54 HD2 PHE 54 10.807 -16.730 -6.592 386 HE1 PHE 54 HE1 PHE 54 9.382 -21.051 -8.567 387 HE2 PHE 54 HE2 PHE 54 9.993 -18.555 -5.124 388 HZ PHE 54 HZ PHE 54 9.281 -20.716 -6.112 389 H ARG 55 HN ARG 55 11.081 -15.448 -12.507 390 HA ARG 55 HA ARG 55 10.372 -12.714 -11.652 391 HB2 ARG 55 HB2 ARG 55 12.676 -13.899 -13.036 392 HB3 ARG 55 HB1 ARG 55 12.073 -12.418 -13.780 393 HG2 ARG 55 HG2 ARG 55 12.358 -11.168 -11.777 394 HG3 ARG 55 HG1 ARG 55 12.560 -12.627 -10.806 395 HD2 ARG 55 HD2 ARG 55 14.636 -11.132 -11.750 396 HD3 ARG 55 HD1 ARG 55 14.755 -12.844 -11.355 397 HE ARG 55 HE ARG 55 14.827 -13.328 -13.642 398 HH11 ARG 55 HH21 ARG 55 13.988 -10.026 -13.040 399 HH12 ARG 55 HH22 ARG 55 14.173 -9.534 -14.691 400 HH21 ARG 55 HH11 ARG 55 15.075 -12.690 -15.808 401 HH22 ARG 55 HH12 ARG 55 14.788 -11.042 -16.258 402 H LYS 56 HN LYS 56 9.036 -15.045 -13.425 403 HA LYS 56 HA LYS 56 8.127 -13.205 -15.557 404 HB2 LYS 56 HB2 LYS 56 8.295 -14.870 -17.071 405 HB3 LYS 56 HB1 LYS 56 9.331 -15.648 -15.878 406 HG2 LYS 56 HG2 LYS 56 7.252 -16.740 -14.917 407 HG3 LYS 56 HG1 LYS 56 6.359 -16.107 -16.305 408 HD2 LYS 56 HD2 LYS 56 8.739 -17.380 -17.268 409 HD3 LYS 56 HD1 LYS 56 7.913 -18.485 -16.170 410 HE2 LYS 56 HE2 LYS 56 6.687 -17.076 -18.556 411 HE3 LYS 56 HE1 LYS 56 7.041 -18.799 -18.425 412 HZ1 LYS 56 HZ1 LYS 56 5.506 -17.992 -16.211 413 HZ2 LYS 56 HZ2 LYS 56 5.110 -19.111 -17.425 414 HZ3 LYS 56 HZ3 LYS 56 4.733 -17.467 -17.626 415 H LYS 57 HN LYS 57 7.228 -15.251 -12.915 416 HA LYS 57 HA LYS 57 4.370 -14.955 -13.550 417 HB2 LYS 57 HB2 LYS 57 5.972 -16.832 -11.885 418 HB3 LYS 57 HB1 LYS 57 4.333 -16.463 -11.344 419 HG2 LYS 57 HG2 LYS 57 3.391 -17.199 -13.428 420 HG3 LYS 57 HG1 LYS 57 4.985 -17.320 -14.173 421 HD2 LYS 57 HD2 LYS 57 5.594 -19.171 -12.764 422 HD3 LYS 57 HD1 LYS 57 4.159 -18.953 -11.761 423 HE2 LYS 57 HE2 LYS 57 4.069 -20.824 -13.527 424 HE3 LYS 57 HE1 LYS 57 2.707 -19.705 -13.480 425 HZ1 LYS 57 HZ1 LYS 57 3.265 -18.801 -15.447 426 HZ2 LYS 57 HZ2 LYS 57 4.052 -20.285 -15.695 427 HZ3 LYS 57 HZ3 LYS 57 4.934 -18.930 -15.173 428 H GLY 58 HN GLY 58 6.842 -14.003 -11.262 429 HA2 GLY 58 HA2 GLY 58 4.912 -12.767 -9.458 430 HA3 GLY 58 HA1 GLY 58 6.659 -12.813 -9.248 431 H HIS 59 HN HIS 59 7.319 -11.819 -11.865 432 HA HIS 59 HA HIS 59 7.285 -9.042 -11.358 433 HB2 HIS 59 HB2 HIS 59 8.912 -10.423 -12.813 434 HB3 HIS 59 HB1 HIS 59 7.712 -10.225 -14.091 435 HD2 HIS 59 HD2 HIS 59 9.178 -7.521 -11.537 436 HE1 HIS 59 HE1 HIS 59 9.367 -5.993 -15.468 437 HE2 HIS 59 HE2 HIS 59 9.831 -5.477 -13.025 438 H HIS 60 HN HIS 60 5.181 -11.148 -13.203 439 HA HIS 60 HA HIS 60 3.824 -9.128 -14.674 440 HB2 HIS 60 HB2 HIS 60 3.044 -11.932 -13.860 441 HB3 HIS 60 HB1 HIS 60 2.029 -10.906 -14.873 442 HD2 HIS 60 HD2 HIS 60 5.582 -10.158 -15.870 443 HE1 HIS 60 HE1 HIS 60 4.403 -13.334 -18.388 444 HE2 HIS 60 HE2 HIS 60 6.163 -11.546 -18.004 445 H HIS 61 HN HIS 61 1.555 -10.972 -12.987 446 HA HIS 61 HA HIS 61 1.129 -9.180 -10.773 447 HB2 HIS 61 HB2 HIS 61 0.211 -7.738 -12.464 448 HB3 HIS 61 HB1 HIS 61 -0.706 -9.068 -13.174 449 HD2 HIS 61 HD2 HIS 61 -0.852 -8.977 -9.311 450 HE1 HIS 61 HE1 HIS 61 -4.459 -7.291 -10.711 451 HE2 HIS 61 HE2 HIS 61 -3.240 -8.148 -8.656 452 H HIS 62 HN HIS 62 -1.513 -10.629 -12.546 453 HA HIS 62 HA HIS 62 -1.521 -12.961 -10.755 454 HB2 HIS 62 HB2 HIS 62 -3.412 -10.718 -10.701 455 HB3 HIS 62 HB1 HIS 62 -4.187 -12.296 -10.850 456 HD2 HIS 62 HD2 HIS 62 -3.490 -10.213 -7.981 457 HE1 HIS 62 HE1 HIS 62 -2.151 -13.987 -6.643 458 HE2 HIS 62 HE2 HIS 62 -2.804 -11.645 -5.908 459 H HIS 63 HN HIS 63 -2.619 -11.347 -13.662 460 HA HIS 63 HA HIS 63 -3.297 -13.985 -14.816 461 HB2 HIS 63 HB2 HIS 63 -4.791 -11.375 -15.048 462 HB3 HIS 63 HB1 HIS 63 -4.988 -12.675 -16.223 463 HD2 HIS 63 HD2 HIS 63 -5.951 -15.181 -14.988 464 HE1 HIS 63 HE1 HIS 63 -7.596 -13.181 -11.653 465 HE2 HIS 63 HE2 HIS 63 -7.536 -15.380 -12.921 466 H HIS 64 HN HIS 64 -0.761 -12.823 -14.979 467 HA HIS 64 HA HIS 64 0.867 -12.307 -16.514 468 HB2 HIS 64 HB2 HIS 64 0.657 -13.690 -18.261 469 HB3 HIS 64 HB1 HIS 64 -1.050 -13.907 -17.870 470 HD2 HIS 64 HD2 HIS 64 1.045 -12.414 -20.681 471 HE1 HIS 64 HE1 HIS 64 -2.785 -10.680 -21.064 472 HE2 HIS 64 HE2 HIS 64 -0.541 -11.008 -22.207 Start of MODEL 21 1 H1 MET 1 HT1 MET 1 33.018 -2.483 -8.673 2 H2 MET 1 HT2 MET 1 32.738 -2.604 -10.345 3 H3 MET 1 HT3 MET 1 34.007 -3.477 -9.627 4 HA MET 1 HA MET 1 31.146 -3.891 -8.965 5 HB2 MET 1 HB2 MET 1 31.488 -6.020 -10.326 6 HB3 MET 1 HB1 MET 1 31.393 -4.527 -11.262 7 HG2 MET 1 HG2 MET 1 34.109 -5.259 -10.347 8 HG3 MET 1 HG1 MET 1 33.397 -6.358 -11.528 9 HE1 MET 1 HE1 MET 1 31.939 -5.365 -13.514 10 HE2 MET 1 HE2 MET 1 33.518 -5.984 -13.992 11 HE3 MET 1 HE3 MET 1 32.925 -4.477 -14.684 12 H GLU 2 HN GLU 2 33.796 -3.631 -7.466 13 HA GLU 2 HA GLU 2 34.045 -6.367 -6.409 14 HB2 GLU 2 HB2 GLU 2 35.757 -3.945 -5.809 15 HB3 GLU 2 HB1 GLU 2 36.106 -5.622 -5.389 16 HG2 GLU 2 HG2 GLU 2 35.823 -4.551 -8.213 17 HG3 GLU 2 HG1 GLU 2 37.350 -4.912 -7.411 18 H GLU 3 HN GLU 3 33.516 -6.886 -4.338 19 HA GLU 3 HA GLU 3 31.583 -5.400 -2.964 20 HB2 GLU 3 HB2 GLU 3 32.583 -7.926 -2.740 21 HB3 GLU 3 HB1 GLU 3 33.260 -7.164 -1.300 22 HG2 GLU 3 HG2 GLU 3 30.903 -6.266 -0.853 23 HG3 GLU 3 HG1 GLU 3 30.352 -7.399 -2.086 24 H GLY 4 HN GLY 4 31.887 -4.728 -0.591 25 HA2 GLY 4 HA2 GLY 4 34.457 -3.681 0.174 26 HA3 GLY 4 HA1 GLY 4 33.347 -2.427 -0.372 27 H GLY 5 HN GLY 5 34.465 -3.938 2.309 28 HA2 GLY 5 HA2 GLY 5 32.031 -4.230 3.821 29 HA3 GLY 5 HA1 GLY 5 33.672 -4.294 4.458 30 H ASP 6 HN ASP 6 34.813 -2.204 4.699 31 HA ASP 6 HA ASP 6 33.203 0.206 4.777 32 HB2 ASP 6 HB2 ASP 6 33.715 0.561 7.232 33 HB3 ASP 6 HB1 ASP 6 32.504 -0.672 6.883 34 H PHE 7 HN PHE 7 35.211 0.092 3.171 35 HA PHE 7 HA PHE 7 37.293 0.894 2.606 36 HB2 PHE 7 HB2 PHE 7 36.948 2.692 5.008 37 HB3 PHE 7 HB1 PHE 7 37.856 3.020 3.532 38 HD1 PHE 7 HD1 PHE 7 36.580 3.153 1.321 39 HD2 PHE 7 HD2 PHE 7 34.641 3.204 5.154 40 HE1 PHE 7 HE1 PHE 7 34.542 4.108 0.278 41 HE2 PHE 7 HE2 PHE 7 32.603 4.159 4.111 42 HZ PHE 7 HZ PHE 7 32.555 4.612 1.673 43 H ASP 8 HN ASP 8 37.722 -1.409 3.744 44 HA ASP 8 HA ASP 8 40.179 -1.015 5.237 45 HB2 ASP 8 HB2 ASP 8 37.758 -2.346 6.445 46 HB3 ASP 8 HB1 ASP 8 39.394 -2.713 6.991 47 H ASN 9 HN ASN 9 39.409 -2.072 2.639 48 HA ASN 9 HA ASN 9 39.278 -4.837 2.461 49 HB2 ASN 9 HB2 ASN 9 40.791 -4.328 0.319 50 HB3 ASN 9 HB1 ASN 9 39.086 -3.882 0.386 51 HD21 ASN 9 HD21 ASN 9 38.564 -1.645 0.360 52 HD22 ASN 9 HD22 ASN 9 39.734 -0.416 0.311 53 H TYR 10 HN TYR 10 42.319 -3.222 1.639 54 HA TYR 10 HA TYR 10 44.045 -5.289 1.993 55 HB2 TYR 10 HB2 TYR 10 44.260 -2.408 1.973 56 HB3 TYR 10 HB1 TYR 10 45.416 -3.106 3.106 57 HD1 TYR 10 HD2 TYR 10 44.128 -3.451 -0.389 58 HD2 TYR 10 HD1 TYR 10 47.392 -4.117 2.324 59 HE1 TYR 10 HE2 TYR 10 45.559 -4.164 -2.286 60 HE2 TYR 10 HE1 TYR 10 48.823 -4.830 0.426 61 HH TYR 10 HH TYR 10 47.523 -5.018 -2.885 62 H TYR 11 HN TYR 11 45.107 -6.305 3.649 63 HA TYR 11 HA TYR 11 45.442 -7.125 5.768 64 HB2 TYR 11 HB2 TYR 11 46.199 -4.599 5.916 65 HB3 TYR 11 HB1 TYR 11 44.773 -4.459 6.945 66 HD1 TYR 11 HD1 TYR 11 47.891 -6.461 6.457 67 HD2 TYR 11 HD2 TYR 11 44.830 -5.187 9.187 68 HE1 TYR 11 HE1 TYR 11 49.146 -7.478 8.338 69 HE2 TYR 11 HE2 TYR 11 46.085 -6.204 11.069 70 HH TYR 11 HH TYR 11 47.759 -7.775 11.524 71 H GLY 12 HN GLY 12 42.876 -7.486 4.705 72 HA2 GLY 12 HA2 GLY 12 41.403 -8.253 6.964 73 HA3 GLY 12 HA1 GLY 12 40.768 -6.706 6.411 74 H ALA 13 HN ALA 13 41.444 -7.296 3.599 75 HA ALA 13 HA ALA 13 39.130 -9.021 3.022 76 HB1 ALA 13 HB1 ALA 13 38.778 -7.052 1.861 77 HB2 ALA 13 HB2 ALA 13 39.627 -7.997 0.638 78 HB3 ALA 13 HB3 ALA 13 40.499 -6.786 1.579 79 H ASP 14 HN ASP 14 42.568 -8.841 2.746 80 HA ASP 14 HA ASP 14 42.601 -11.212 0.980 81 HB2 ASP 14 HB2 ASP 14 44.551 -8.979 1.453 82 HB3 ASP 14 HB1 ASP 14 45.113 -10.534 0.840 83 H ASN 15 HN ASN 15 43.076 -10.145 4.167 84 HA ASN 15 HA ASN 15 45.150 -11.786 5.086 85 HB2 ASN 15 HB2 ASN 15 42.910 -10.303 6.276 86 HB3 ASN 15 HB1 ASN 15 43.420 -11.709 7.211 87 HD21 ASN 15 HD21 ASN 15 44.856 -11.000 8.793 88 HD22 ASN 15 HD22 ASN 15 46.111 -9.886 8.535 89 H GLN 16 HN GLN 16 41.947 -12.563 4.076 90 HA GLN 16 HA GLN 16 41.886 -15.128 5.449 91 HB2 GLN 16 HB2 GLN 16 39.712 -15.407 4.457 92 HB3 GLN 16 HB1 GLN 16 39.825 -13.742 5.032 93 HG2 GLN 16 HG2 GLN 16 40.822 -13.489 2.500 94 HG3 GLN 16 HG1 GLN 16 39.635 -14.772 2.271 95 HE21 GLN 16 HE21 GLN 16 37.446 -14.155 2.181 96 HE22 GLN 16 HE22 GLN 16 36.886 -12.589 2.524 97 H SER 17 HN SER 17 43.189 -13.874 2.589 98 HA SER 17 HA SER 17 43.047 -16.428 1.152 99 HB2 SER 17 HB2 SER 17 43.722 -15.255 -0.762 100 HB3 SER 17 HB1 SER 17 42.706 -14.090 0.083 101 HG SER 17 HG SER 17 44.413 -12.870 0.006 102 H GLU 18 HN GLU 18 45.393 -14.223 2.621 103 HA GLU 18 HA GLU 18 47.757 -15.491 1.839 104 HB2 GLU 18 HB2 GLU 18 48.826 -14.252 3.522 105 HB3 GLU 18 HB1 GLU 18 47.409 -13.275 3.136 106 HG2 GLU 18 HG2 GLU 18 46.236 -14.630 5.019 107 HG3 GLU 18 HG1 GLU 18 47.872 -15.052 5.523 108 H CYS 19 HN CYS 19 45.250 -16.796 3.587 109 HA CYS 19 HA CYS 19 46.981 -18.588 5.157 110 HB2 CYS 19 HB2 CYS 19 44.919 -17.364 6.133 111 HB3 CYS 19 HB1 CYS 19 43.974 -18.559 5.245 112 HG CYS 19 HG CYS 19 46.173 -19.556 7.220 113 H GLU 20 HN GLU 20 44.475 -18.585 2.660 114 HA GLU 20 HA GLU 20 44.665 -21.479 2.341 115 HB2 GLU 20 HB2 GLU 20 42.801 -21.304 0.904 116 HB3 GLU 20 HB1 GLU 20 42.502 -20.097 2.157 117 HG2 GLU 20 HG2 GLU 20 42.116 -18.806 0.280 118 HG3 GLU 20 HG1 GLU 20 43.846 -18.532 0.480 119 H TYR 21 HN TYR 21 46.183 -18.693 1.139 120 HA TYR 21 HA TYR 21 46.729 -19.545 -1.527 121 HB2 TYR 21 HB2 TYR 21 47.171 -17.316 -1.413 122 HB3 TYR 21 HB1 TYR 21 47.647 -17.392 0.284 123 HD1 TYR 21 HD2 TYR 21 48.782 -18.297 -3.160 124 HD2 TYR 21 HD1 TYR 21 49.925 -17.457 0.894 125 HE1 TYR 21 HE2 TYR 21 51.170 -18.315 -3.830 126 HE2 TYR 21 HE1 TYR 21 52.313 -17.475 0.225 127 HH TYR 21 HH TYR 21 53.432 -17.048 -2.598 128 H THR 22 HN THR 22 48.482 -19.812 1.544 129 HA THR 22 HA THR 22 50.776 -21.088 0.393 130 HB THR 22 HB THR 22 50.542 -21.750 3.149 131 HG1 THR 22 HG1 THR 22 49.503 -19.267 2.383 132 HG21 THR 22 HG21 THR 22 52.087 -19.609 1.662 133 HG22 THR 22 HG22 THR 22 52.630 -21.253 1.995 134 HG23 THR 22 HG23 THR 22 52.413 -20.110 3.321 135 H ASP 23 HN ASP 23 47.838 -22.186 0.236 136 HA ASP 23 HA ASP 23 48.645 -24.988 0.656 137 HB2 ASP 23 HB2 ASP 23 45.927 -23.905 1.420 138 HB3 ASP 23 HB1 ASP 23 46.530 -25.544 1.665 139 H TRP 24 HN TRP 24 46.535 -22.647 -0.911 140 HA TRP 24 HA TRP 24 45.127 -24.373 -2.615 141 HB2 TRP 24 HB2 TRP 24 44.196 -22.329 -2.868 142 HB3 TRP 24 HB1 TRP 24 45.701 -21.494 -2.482 143 HD1 TRP 24 HD1 TRP 24 43.793 -23.052 -5.401 144 HE1 TRP 24 HE1 TRP 24 44.823 -22.208 -7.609 145 HE3 TRP 24 HE3 TRP 24 47.862 -20.557 -3.581 146 HZ2 TRP 24 HZ2 TRP 24 47.075 -20.678 -8.487 147 HZ3 TRP 24 HZ3 TRP 24 49.431 -19.417 -5.124 148 HH2 TRP 24 HH2 TRP 24 49.043 -19.474 -7.572 149 H LYS 25 HN LYS 25 48.335 -22.944 -2.883 150 HA LYS 25 HA LYS 25 48.913 -23.424 -5.554 151 HB2 LYS 25 HB2 LYS 25 50.355 -22.294 -3.740 152 HB3 LYS 25 HB1 LYS 25 50.929 -23.920 -3.372 153 HG2 LYS 25 HG2 LYS 25 51.643 -24.211 -5.708 154 HG3 LYS 25 HG1 LYS 25 51.046 -22.599 -6.100 155 HD2 LYS 25 HD2 LYS 25 52.611 -21.714 -4.295 156 HD3 LYS 25 HD1 LYS 25 53.331 -23.323 -4.254 157 HE2 LYS 25 HE2 LYS 25 54.655 -22.019 -5.774 158 HE3 LYS 25 HE1 LYS 25 53.682 -23.110 -6.761 159 HZ1 LYS 25 HZ1 LYS 25 53.489 -20.996 -7.735 160 HZ2 LYS 25 HZ2 LYS 25 53.230 -20.230 -6.241 161 HZ3 LYS 25 HZ3 LYS 25 52.031 -21.237 -6.901 162 H SER 26 HN SER 26 48.927 -25.655 -2.823 163 HA SER 26 HA SER 26 49.818 -27.847 -4.560 164 HB2 SER 26 HB2 SER 26 50.843 -28.509 -2.679 165 HB3 SER 26 HB1 SER 26 50.040 -27.243 -1.753 166 HG SER 26 HG SER 26 49.303 -29.910 -2.197 167 H SER 27 HN SER 27 47.092 -26.916 -2.486 168 HA SER 27 HA SER 27 45.547 -29.235 -3.335 169 HB2 SER 27 HB2 SER 27 44.977 -26.937 -1.463 170 HB3 SER 27 HB1 SER 27 43.770 -28.149 -1.881 171 HG SER 27 HG SER 27 46.188 -28.418 -0.467 172 H GLY 28 HN GLY 28 46.401 -26.950 -5.167 173 HA2 GLY 28 HA2 GLY 28 43.883 -25.716 -5.931 174 HA3 GLY 28 HA1 GLY 28 45.444 -25.483 -6.712 175 H ALA 29 HN ALA 29 45.257 -28.702 -6.422 176 HA ALA 29 HA ALA 29 44.309 -29.020 -9.176 177 HB1 ALA 29 HB1 ALA 29 45.673 -30.844 -9.307 178 HB2 ALA 29 HB2 ALA 29 45.328 -31.352 -7.654 179 HB3 ALA 29 HB3 ALA 29 46.481 -30.051 -7.954 180 H LEU 30 HN LEU 30 42.414 -28.512 -7.011 181 HA LEU 30 HA LEU 30 40.499 -30.534 -7.644 182 HB2 LEU 30 HB2 LEU 30 40.183 -31.416 -5.359 183 HB3 LEU 30 HB1 LEU 30 41.778 -31.818 -5.995 184 HG LEU 30 HG LEU 30 42.199 -29.360 -4.796 185 HD11 LEU 30 HD11 LEU 30 39.944 -29.470 -3.776 186 HD12 LEU 30 HD12 LEU 30 41.209 -29.554 -2.550 187 HD13 LEU 30 HD13 LEU 30 40.360 -31.019 -3.043 188 HD21 LEU 30 HD21 LEU 30 43.757 -31.169 -4.600 189 HD22 LEU 30 HD22 LEU 30 42.566 -32.198 -3.805 190 HD23 LEU 30 HD23 LEU 30 43.233 -30.803 -2.956 191 H ILE 31 HN ILE 31 41.509 -27.865 -5.588 192 HA ILE 31 HA ILE 31 39.038 -27.135 -4.520 193 HB ILE 31 HB ILE 31 41.563 -25.637 -5.107 194 HG12 ILE 31 HG12 ILE 31 39.986 -26.004 -2.553 195 HG13 ILE 31 HG11 ILE 31 41.186 -27.171 -3.112 196 HG21 ILE 31 HG21 ILE 31 39.983 -23.908 -5.567 197 HG22 ILE 31 HG22 ILE 31 40.400 -23.696 -3.869 198 HG23 ILE 31 HG23 ILE 31 38.887 -24.480 -4.312 199 HD11 ILE 31 HD11 ILE 31 42.064 -24.340 -3.087 200 HD12 ILE 31 HD12 ILE 31 42.945 -25.796 -2.626 201 HD13 ILE 31 HD13 ILE 31 41.793 -25.070 -1.505 202 HA PRO 32 HA PRO 32 38.386 -24.079 -8.286 203 HB2 PRO 32 HB2 PRO 32 39.610 -25.087 -10.604 204 HB3 PRO 32 HB1 PRO 32 40.145 -23.677 -9.672 205 HG2 PRO 32 HG2 PRO 32 41.135 -26.474 -9.607 206 HG3 PRO 32 HG1 PRO 32 42.026 -24.952 -9.438 207 HD2 PRO 32 HD2 PRO 32 41.505 -26.469 -7.299 208 HD3 PRO 32 HD1 PRO 32 41.436 -24.697 -7.197 209 H ALA 33 HN ALA 33 39.106 -27.422 -9.322 210 HA ALA 33 HA ALA 33 37.066 -27.914 -11.066 211 HB1 ALA 33 HB1 ALA 33 37.414 -30.184 -10.699 212 HB2 ALA 33 HB2 ALA 33 37.664 -29.970 -8.966 213 HB3 ALA 33 HB3 ALA 33 38.922 -29.490 -10.104 214 H ILE 34 HN ILE 34 36.796 -28.837 -7.626 215 HA ILE 34 HA ILE 34 34.073 -29.323 -7.587 216 HB ILE 34 HB ILE 34 36.041 -28.451 -5.503 217 HG12 ILE 34 HG12 ILE 34 35.563 -30.854 -6.515 218 HG13 ILE 34 HG11 ILE 34 35.882 -30.657 -4.793 219 HG21 ILE 34 HG21 ILE 34 33.037 -28.529 -5.238 220 HG22 ILE 34 HG22 ILE 34 34.162 -27.295 -4.669 221 HG23 ILE 34 HG23 ILE 34 34.081 -28.856 -3.854 222 HD11 ILE 34 HD11 ILE 34 33.828 -32.077 -5.483 223 HD12 ILE 34 HD12 ILE 34 33.065 -30.537 -5.873 224 HD13 ILE 34 HD13 ILE 34 33.599 -30.864 -4.225 225 H TYR 35 HN TYR 35 35.769 -26.263 -6.978 226 HA TYR 35 HA TYR 35 33.622 -24.650 -6.290 227 HB2 TYR 35 HB2 TYR 35 36.328 -24.279 -7.223 228 HB3 TYR 35 HB1 TYR 35 35.260 -23.078 -7.949 229 HD1 TYR 35 HD2 TYR 35 36.606 -24.425 -4.796 230 HD2 TYR 35 HD1 TYR 35 34.076 -21.447 -6.575 231 HE1 TYR 35 HE2 TYR 35 36.550 -23.188 -2.645 232 HE2 TYR 35 HE1 TYR 35 34.019 -20.209 -4.428 233 HH TYR 35 HH TYR 35 34.330 -20.804 -1.956 234 H MET 36 HN MET 36 35.011 -24.935 -9.571 235 HA MET 36 HA MET 36 32.992 -23.552 -10.915 236 HB2 MET 36 HB2 MET 36 35.085 -25.520 -11.687 237 HB3 MET 36 HB1 MET 36 33.776 -25.244 -12.836 238 HG2 MET 36 HG2 MET 36 35.810 -23.718 -13.081 239 HG3 MET 36 HG1 MET 36 34.247 -22.908 -12.965 240 HE1 MET 36 HE1 MET 36 33.671 -21.195 -11.448 241 HE2 MET 36 HE2 MET 36 35.132 -20.632 -12.256 242 HE3 MET 36 HE3 MET 36 34.920 -20.341 -10.532 243 H LEU 37 HN LEU 37 33.394 -27.098 -10.716 244 HA LEU 37 HA LEU 37 31.054 -27.888 -11.927 245 HB2 LEU 37 HB2 LEU 37 32.929 -29.350 -10.998 246 HB3 LEU 37 HB1 LEU 37 32.112 -29.230 -9.439 247 HG LEU 37 HG LEU 37 30.021 -29.866 -11.083 248 HD11 LEU 37 HD11 LEU 37 31.648 -30.157 -12.976 249 HD12 LEU 37 HD12 LEU 37 30.736 -31.620 -12.601 250 HD13 LEU 37 HD13 LEU 37 32.407 -31.461 -12.062 251 HD21 LEU 37 HD21 LEU 37 30.308 -32.178 -10.174 252 HD22 LEU 37 HD22 LEU 37 30.522 -30.935 -8.942 253 HD23 LEU 37 HD23 LEU 37 31.929 -31.734 -9.640 254 H VAL 38 HN VAL 38 31.485 -26.459 -8.778 255 HA VAL 38 HA VAL 38 28.708 -27.023 -8.027 256 HB VAL 38 HB VAL 38 31.061 -25.843 -6.555 257 HG11 VAL 38 HG11 VAL 38 29.350 -25.869 -4.599 258 HG12 VAL 38 HG12 VAL 38 28.126 -25.836 -5.869 259 HG13 VAL 38 HG13 VAL 38 29.292 -24.520 -5.734 260 HG21 VAL 38 HG21 VAL 38 30.882 -28.317 -6.768 261 HG22 VAL 38 HG22 VAL 38 29.280 -28.246 -6.035 262 HG23 VAL 38 HG23 VAL 38 30.701 -27.784 -5.098 263 H PHE 39 HN PHE 39 30.640 -24.549 -9.411 264 HA PHE 39 HA PHE 39 28.886 -22.365 -8.650 265 HB2 PHE 39 HB2 PHE 39 31.440 -22.266 -9.145 266 HB3 PHE 39 HB1 PHE 39 30.941 -22.220 -10.837 267 HD1 PHE 39 HD1 PHE 39 30.656 -20.492 -7.564 268 HD2 PHE 39 HD2 PHE 39 29.916 -20.273 -11.790 269 HE1 PHE 39 HE1 PHE 39 30.135 -18.078 -7.347 270 HE2 PHE 39 HE2 PHE 39 29.394 -17.858 -11.572 271 HZ PHE 39 HZ PHE 39 29.504 -16.760 -9.351 272 H LEU 40 HN LEU 40 29.817 -23.876 -11.752 273 HA LEU 40 HA LEU 40 27.794 -22.591 -13.266 274 HB2 LEU 40 HB2 LEU 40 28.332 -24.259 -15.001 275 HB3 LEU 40 HB1 LEU 40 29.793 -23.553 -14.309 276 HG LEU 40 HG LEU 40 29.312 -25.701 -12.638 277 HD11 LEU 40 HD11 LEU 40 27.547 -26.440 -14.281 278 HD12 LEU 40 HD12 LEU 40 28.840 -27.615 -14.039 279 HD13 LEU 40 HD13 LEU 40 28.822 -26.609 -15.487 280 HD21 LEU 40 HD21 LEU 40 31.043 -25.414 -15.107 281 HD22 LEU 40 HD22 LEU 40 31.188 -26.769 -13.987 282 HD23 LEU 40 HD23 LEU 40 31.507 -25.126 -13.429 283 H LEU 41 HN LEU 41 27.413 -24.718 -10.819 284 HA LEU 41 HA LEU 41 25.188 -26.198 -12.042 285 HB2 LEU 41 HB2 LEU 41 27.070 -26.715 -9.900 286 HB3 LEU 41 HB1 LEU 41 25.408 -26.931 -9.349 287 HG LEU 41 HG LEU 41 26.498 -28.146 -11.902 288 HD11 LEU 41 HD11 LEU 41 27.546 -29.648 -10.589 289 HD12 LEU 41 HD12 LEU 41 25.957 -30.161 -10.020 290 HD13 LEU 41 HD13 LEU 41 26.858 -28.933 -9.131 291 HD21 LEU 41 HD21 LEU 41 23.878 -27.776 -10.907 292 HD22 LEU 41 HD22 LEU 41 24.257 -29.477 -10.645 293 HD23 LEU 41 HD23 LEU 41 24.366 -28.789 -12.265 294 H GLY 42 HN GLY 42 25.786 -24.461 -8.975 295 HA2 GLY 42 HA2 GLY 42 22.929 -23.915 -8.716 296 HA3 GLY 42 HA1 GLY 42 24.170 -23.584 -7.511 297 H THR 43 HN THR 43 25.305 -22.536 -10.445 298 HA THR 43 HA THR 43 24.158 -19.830 -10.133 299 HB THR 43 HB THR 43 26.987 -20.017 -10.990 300 HG1 THR 43 HG1 THR 43 27.730 -20.664 -9.118 301 HG21 THR 43 HG21 THR 43 25.636 -18.255 -8.936 302 HG22 THR 43 HG22 THR 43 25.605 -17.910 -10.665 303 HG23 THR 43 HG23 THR 43 27.141 -17.943 -9.801 304 H THR 44 HN THR 44 23.381 -21.871 -11.979 305 HA THR 44 HA THR 44 24.075 -20.502 -14.496 306 HB THR 44 HB THR 44 24.042 -23.494 -14.041 307 HG1 THR 44 HG1 THR 44 26.004 -22.629 -13.549 308 HG21 THR 44 HG21 THR 44 22.999 -23.210 -16.139 309 HG22 THR 44 HG22 THR 44 24.701 -23.443 -16.540 310 HG23 THR 44 HG23 THR 44 24.006 -21.821 -16.549 311 H GLY 45 HN GLY 45 21.956 -22.964 -13.024 312 HA2 GLY 45 HA2 GLY 45 19.769 -22.096 -14.795 313 HA3 GLY 45 HA1 GLY 45 19.814 -23.597 -13.875 314 H ASN 46 HN ASN 46 20.853 -22.021 -11.504 315 HA ASN 46 HA ASN 46 18.449 -21.705 -10.116 316 HB2 ASN 46 HB2 ASN 46 19.806 -21.338 -8.361 317 HB3 ASN 46 HB1 ASN 46 21.143 -21.594 -9.482 318 HD21 ASN 46 HD21 ASN 46 22.049 -19.599 -10.549 319 HD22 ASN 46 HD22 ASN 46 21.920 -18.108 -9.747 320 H GLY 47 HN GLY 47 20.508 -19.257 -11.674 321 HA2 GLY 47 HA2 GLY 47 18.855 -17.039 -10.993 322 HA3 GLY 47 HA1 GLY 47 20.105 -17.056 -12.233 323 H LEU 48 HN LEU 48 19.262 -18.878 -14.028 324 HA LEU 48 HA LEU 48 17.342 -17.520 -15.542 325 HB2 LEU 48 HB2 LEU 48 19.037 -19.252 -16.340 326 HB3 LEU 48 HB1 LEU 48 17.900 -20.478 -15.778 327 HG LEU 48 HG LEU 48 16.175 -19.023 -17.187 328 HD11 LEU 48 HD11 LEU 48 17.064 -17.775 -18.926 329 HD12 LEU 48 HD12 LEU 48 18.575 -18.685 -18.944 330 HD13 LEU 48 HD13 LEU 48 18.285 -17.483 -17.687 331 HD21 LEU 48 HD21 LEU 48 16.359 -21.253 -17.822 332 HD22 LEU 48 HD22 LEU 48 18.108 -21.157 -18.024 333 HD23 LEU 48 HD23 LEU 48 17.041 -20.457 -19.240 334 H VAL 49 HN VAL 49 17.006 -20.351 -13.424 335 HA VAL 49 HA VAL 49 14.298 -20.894 -13.938 336 HB VAL 49 HB VAL 49 16.125 -21.422 -11.612 337 HG11 VAL 49 HG11 VAL 49 13.134 -21.752 -11.752 338 HG12 VAL 49 HG12 VAL 49 14.118 -21.145 -10.419 339 HG13 VAL 49 HG13 VAL 49 14.112 -22.867 -10.800 340 HG21 VAL 49 HG21 VAL 49 14.560 -23.222 -13.490 341 HG22 VAL 49 HG22 VAL 49 15.763 -23.740 -12.310 342 HG23 VAL 49 HG23 VAL 49 16.253 -22.779 -13.704 343 H LEU 50 HN LEU 50 15.686 -19.159 -11.139 344 HA LEU 50 HA LEU 50 13.304 -18.224 -10.053 345 HB2 LEU 50 HB2 LEU 50 16.117 -17.161 -10.024 346 HB3 LEU 50 HB1 LEU 50 14.811 -16.285 -9.223 347 HG LEU 50 HG LEU 50 15.080 -19.221 -8.700 348 HD11 LEU 50 HD11 LEU 50 16.557 -18.330 -6.677 349 HD12 LEU 50 HD12 LEU 50 16.990 -17.081 -7.845 350 HD13 LEU 50 HD13 LEU 50 17.301 -18.778 -8.211 351 HD21 LEU 50 HD21 LEU 50 13.303 -17.438 -7.841 352 HD22 LEU 50 HD22 LEU 50 14.565 -17.086 -6.661 353 HD23 LEU 50 HD23 LEU 50 13.890 -18.712 -6.772 354 H TRP 51 HN TRP 51 15.079 -17.133 -12.837 355 HA TRP 51 HA TRP 51 13.729 -14.588 -13.036 356 HB2 TRP 51 HB2 TRP 51 15.945 -14.746 -13.957 357 HB3 TRP 51 HB1 TRP 51 15.492 -16.133 -14.949 358 HD1 TRP 51 HD1 TRP 51 15.097 -12.354 -14.701 359 HE1 TRP 51 HE1 TRP 51 14.173 -11.462 -16.937 360 HE3 TRP 51 HE3 TRP 51 14.072 -16.766 -17.057 361 HZ2 TRP 51 HZ2 TRP 51 13.138 -12.484 -19.400 362 HZ3 TRP 51 HZ3 TRP 51 13.118 -16.779 -19.344 363 HH2 TRP 51 HH2 TRP 51 12.651 -14.645 -20.518 364 H THR 52 HN THR 52 13.574 -17.691 -14.782 365 HA THR 52 HA THR 52 11.458 -16.918 -16.514 366 HB THR 52 HB THR 52 12.657 -19.545 -15.690 367 HG1 THR 52 HG1 THR 52 13.292 -19.524 -17.794 368 HG21 THR 52 HG21 THR 52 11.056 -20.478 -17.515 369 HG22 THR 52 HG22 THR 52 10.070 -19.062 -17.149 370 HG23 THR 52 HG23 THR 52 10.423 -20.241 -15.885 371 H VAL 53 HN VAL 53 11.545 -18.627 -13.409 372 HA VAL 53 HA VAL 53 8.826 -19.295 -13.247 373 HB VAL 53 HB VAL 53 10.866 -18.712 -11.095 374 HG11 VAL 53 HG11 VAL 53 8.784 -18.357 -10.016 375 HG12 VAL 53 HG12 VAL 53 9.170 -20.044 -9.679 376 HG13 VAL 53 HG13 VAL 53 7.997 -19.641 -10.933 377 HG21 VAL 53 HG21 VAL 53 11.185 -20.690 -12.641 378 HG22 VAL 53 HG22 VAL 53 9.652 -21.324 -12.043 379 HG23 VAL 53 HG23 VAL 53 11.013 -21.119 -10.940 380 H PHE 54 HN PHE 54 10.562 -16.386 -12.194 381 HA PHE 54 HA PHE 54 8.501 -15.072 -10.864 382 HB2 PHE 54 HB2 PHE 54 11.091 -14.421 -11.863 383 HB3 PHE 54 HB1 PHE 54 9.979 -13.147 -12.365 384 HD1 PHE 54 HD2 PHE 54 10.956 -15.188 -9.381 385 HD2 PHE 54 HD1 PHE 54 9.316 -11.493 -10.835 386 HE1 PHE 54 HE2 PHE 54 10.951 -14.281 -7.073 387 HE2 PHE 54 HE1 PHE 54 9.312 -10.587 -8.527 388 HZ PHE 54 HZ PHE 54 10.130 -11.981 -6.646 389 H ARG 55 HN ARG 55 9.152 -15.333 -14.318 390 HA ARG 55 HA ARG 55 7.028 -13.475 -15.016 391 HB2 ARG 55 HB2 ARG 55 9.067 -15.079 -16.508 392 HB3 ARG 55 HB1 ARG 55 7.642 -14.509 -17.376 393 HG2 ARG 55 HG2 ARG 55 8.298 -12.319 -17.284 394 HG3 ARG 55 HG1 ARG 55 8.973 -12.481 -15.665 395 HD2 ARG 55 HD2 ARG 55 10.349 -13.829 -17.968 396 HD3 ARG 55 HD1 ARG 55 10.576 -12.102 -17.707 397 HE ARG 55 HE ARG 55 11.716 -14.200 -16.142 398 HH11 ARG 55 HH21 ARG 55 10.351 -11.024 -16.015 399 HH12 ARG 55 HH22 ARG 55 11.208 -10.562 -14.583 400 HH21 ARG 55 HH11 ARG 55 12.837 -13.605 -14.257 401 HH22 ARG 55 HH12 ARG 55 12.616 -12.023 -13.587 402 H LYS 56 HN LYS 56 7.151 -16.668 -14.060 403 HA LYS 56 HA LYS 56 4.700 -17.345 -15.572 404 HB2 LYS 56 HB2 LYS 56 5.481 -19.447 -15.840 405 HB3 LYS 56 HB1 LYS 56 7.047 -18.769 -15.401 406 HG2 LYS 56 HG2 LYS 56 6.499 -19.284 -12.981 407 HG3 LYS 56 HG1 LYS 56 5.060 -20.135 -13.549 408 HD2 LYS 56 HD2 LYS 56 7.496 -20.956 -14.964 409 HD3 LYS 56 HD1 LYS 56 7.562 -21.264 -13.231 410 HE2 LYS 56 HE2 LYS 56 6.565 -23.163 -14.506 411 HE3 LYS 56 HE1 LYS 56 5.453 -22.480 -13.321 412 HZ1 LYS 56 HZ1 LYS 56 4.112 -21.661 -14.913 413 HZ2 LYS 56 HZ2 LYS 56 4.811 -22.886 -15.863 414 HZ3 LYS 56 HZ3 LYS 56 5.386 -21.290 -15.969 415 H LYS 57 HN LYS 57 6.035 -16.641 -12.519 416 HA LYS 57 HA LYS 57 3.661 -17.705 -11.121 417 HB2 LYS 57 HB2 LYS 57 6.230 -18.157 -10.483 418 HB3 LYS 57 HB1 LYS 57 5.994 -16.647 -9.605 419 HG2 LYS 57 HG2 LYS 57 4.245 -19.117 -9.357 420 HG3 LYS 57 HG1 LYS 57 5.457 -18.599 -8.186 421 HD2 LYS 57 HD2 LYS 57 4.103 -16.325 -8.268 422 HD3 LYS 57 HD1 LYS 57 2.798 -17.375 -8.824 423 HE2 LYS 57 HE2 LYS 57 4.383 -17.683 -6.257 424 HE3 LYS 57 HE1 LYS 57 2.694 -17.192 -6.394 425 HZ1 LYS 57 HZ1 LYS 57 2.440 -19.406 -6.017 426 HZ2 LYS 57 HZ2 LYS 57 3.904 -19.831 -6.766 427 HZ3 LYS 57 HZ3 LYS 57 2.546 -19.440 -7.709 428 H GLY 58 HN GLY 58 5.598 -14.839 -11.741 429 HA2 GLY 58 HA2 GLY 58 4.112 -13.129 -9.965 430 HA3 GLY 58 HA1 GLY 58 5.293 -12.618 -11.168 431 H HIS 59 HN HIS 59 3.820 -14.189 -13.260 432 HA HIS 59 HA HIS 59 2.287 -12.108 -14.347 433 HB2 HIS 59 HB2 HIS 59 3.255 -14.481 -15.285 434 HB3 HIS 59 HB1 HIS 59 1.528 -14.828 -15.186 435 HD2 HIS 59 HD2 HIS 59 3.888 -12.199 -16.994 436 HE1 HIS 59 HE1 HIS 59 0.132 -12.215 -18.922 437 HE2 HIS 59 HE2 HIS 59 2.493 -11.281 -19.001 438 H HIS 60 HN HIS 60 1.507 -14.438 -11.952 439 HA HIS 60 HA HIS 60 -1.351 -14.382 -12.370 440 HB2 HIS 60 HB2 HIS 60 -1.496 -15.850 -10.548 441 HB3 HIS 60 HB1 HIS 60 0.064 -16.253 -11.265 442 HD2 HIS 60 HD2 HIS 60 -0.552 -16.514 -7.923 443 HE1 HIS 60 HE1 HIS 60 2.266 -13.379 -7.706 444 HE2 HIS 60 HE2 HIS 60 1.078 -15.186 -6.375 445 H HIS 61 HN HIS 61 -0.121 -11.789 -12.110 446 HA HIS 61 HA HIS 61 -0.337 -10.632 -9.578 447 HB2 HIS 61 HB2 HIS 61 -0.847 -9.453 -12.318 448 HB3 HIS 61 HB1 HIS 61 -0.758 -8.498 -10.837 449 HD2 HIS 61 HD2 HIS 61 1.623 -9.320 -13.530 450 HE1 HIS 61 HE1 HIS 61 4.023 -9.435 -10.059 451 HE2 HIS 61 HE2 HIS 61 4.061 -9.347 -12.597 452 H HIS 62 HN HIS 62 -2.545 -8.983 -11.507 453 HA HIS 62 HA HIS 62 -4.760 -9.850 -9.769 454 HB2 HIS 62 HB2 HIS 62 -4.001 -7.384 -9.989 455 HB3 HIS 62 HB1 HIS 62 -4.807 -7.433 -11.558 456 HD2 HIS 62 HD2 HIS 62 -5.770 -6.600 -8.031 457 HE1 HIS 62 HE1 HIS 62 -9.320 -8.081 -9.771 458 HE2 HIS 62 HE2 HIS 62 -8.358 -6.834 -7.779 459 H HIS 63 HN HIS 63 -4.566 -8.544 -13.082 460 HA HIS 63 HA HIS 63 -6.750 -10.311 -13.885 461 HB2 HIS 63 HB2 HIS 63 -6.540 -9.017 -16.059 462 HB3 HIS 63 HB1 HIS 63 -6.981 -8.059 -14.645 463 HD2 HIS 63 HD2 HIS 63 -5.420 -5.799 -14.508 464 HE1 HIS 63 HE1 HIS 63 -1.948 -7.328 -16.360 465 HE2 HIS 63 HE2 HIS 63 -2.988 -5.269 -15.298 466 H HIS 64 HN HIS 64 -4.917 -12.038 -13.382 467 HA HIS 64 HA HIS 64 -2.771 -12.607 -14.946 468 HB2 HIS 64 HB2 HIS 64 -3.596 -14.068 -13.126 469 HB3 HIS 64 HB1 HIS 64 -4.906 -14.610 -14.177 470 HD2 HIS 64 HD2 HIS 64 -1.739 -14.261 -16.255 471 HE1 HIS 64 HE1 HIS 64 -1.853 -18.300 -15.031 472 HE2 HIS 64 HE2 HIS 64 -0.726 -16.644 -16.592 Start of MODEL 22 1 H1 MET 1 HT1 MET 1 41.282 -12.807 19.856 2 H2 MET 1 HT2 MET 1 42.629 -11.899 19.359 3 H3 MET 1 HT3 MET 1 41.449 -11.197 20.359 4 HA MET 1 HA MET 1 42.802 -13.605 21.323 5 HB2 MET 1 HB2 MET 1 44.471 -11.818 22.348 6 HB3 MET 1 HB1 MET 1 44.780 -12.527 20.764 7 HG2 MET 1 HG2 MET 1 44.105 -10.607 19.622 8 HG3 MET 1 HG1 MET 1 43.112 -10.038 20.964 9 HE1 MET 1 HE1 MET 1 45.022 -7.160 21.050 10 HE2 MET 1 HE2 MET 1 44.053 -8.104 19.921 11 HE3 MET 1 HE3 MET 1 45.767 -7.848 19.601 12 H GLU 2 HN GLU 2 41.361 -10.413 21.710 13 HA GLU 2 HA GLU 2 40.358 -11.247 24.350 14 HB2 GLU 2 HB2 GLU 2 41.902 -8.748 23.703 15 HB3 GLU 2 HB1 GLU 2 40.740 -8.773 25.030 16 HG2 GLU 2 HG2 GLU 2 41.944 -10.400 26.223 17 HG3 GLU 2 HG1 GLU 2 42.829 -10.927 24.793 18 H GLU 3 HN GLU 3 38.631 -11.585 22.516 19 HA GLU 3 HA GLU 3 36.552 -11.002 21.734 20 HB2 GLU 3 HB2 GLU 3 36.753 -9.856 24.241 21 HB3 GLU 3 HB1 GLU 3 36.286 -8.496 23.219 22 HG2 GLU 3 HG2 GLU 3 34.244 -9.519 23.923 23 HG3 GLU 3 HG1 GLU 3 34.482 -10.012 22.247 24 H GLY 4 HN GLY 4 35.328 -8.703 21.074 25 HA2 GLY 4 HA2 GLY 4 37.230 -7.007 19.624 26 HA3 GLY 4 HA1 GLY 4 36.049 -7.900 18.670 27 H GLY 5 HN GLY 5 34.432 -6.618 18.063 28 HA2 GLY 5 HA2 GLY 5 32.383 -5.570 19.250 29 HA3 GLY 5 HA1 GLY 5 33.585 -4.425 19.839 30 H ASP 6 HN ASP 6 35.161 -3.935 17.715 31 HA ASP 6 HA ASP 6 33.893 -3.578 15.224 32 HB2 ASP 6 HB2 ASP 6 33.757 -0.975 15.511 33 HB3 ASP 6 HB1 ASP 6 32.411 -1.986 16.032 34 H PHE 7 HN PHE 7 36.212 -4.470 15.243 35 HA PHE 7 HA PHE 7 38.475 -2.964 15.758 36 HB2 PHE 7 HB2 PHE 7 37.810 -5.153 13.853 37 HB3 PHE 7 HB1 PHE 7 39.308 -4.265 13.576 38 HD1 PHE 7 HD2 PHE 7 40.873 -3.926 15.623 39 HD2 PHE 7 HD1 PHE 7 37.736 -6.857 15.470 40 HE1 PHE 7 HE2 PHE 7 41.967 -5.194 17.454 41 HE2 PHE 7 HE1 PHE 7 38.830 -8.123 17.300 42 HZ PHE 7 HZ PHE 7 40.945 -7.291 18.291 43 H ASP 8 HN ASP 8 39.970 -2.049 14.019 44 HA ASP 8 HA ASP 8 38.526 0.065 12.647 45 HB2 ASP 8 HB2 ASP 8 41.495 -0.503 12.797 46 HB3 ASP 8 HB1 ASP 8 40.753 0.970 12.174 47 H ASN 9 HN ASN 9 38.901 -2.995 11.843 48 HA ASN 9 HA ASN 9 39.239 -4.202 9.895 49 HB2 ASN 9 HB2 ASN 9 37.042 -3.253 9.503 50 HB3 ASN 9 HB1 ASN 9 37.758 -1.757 8.905 51 HD21 ASN 9 HD21 ASN 9 36.205 -2.683 7.008 52 HD22 ASN 9 HD22 ASN 9 37.022 -3.596 5.833 53 H TYR 10 HN TYR 10 39.279 -1.243 8.058 54 HA TYR 10 HA TYR 10 41.400 -1.772 6.444 55 HB2 TYR 10 HB2 TYR 10 41.055 1.004 7.550 56 HB3 TYR 10 HB1 TYR 10 41.483 0.513 5.911 57 HD1 TYR 10 HD2 TYR 10 38.730 0.750 8.373 58 HD2 TYR 10 HD1 TYR 10 39.800 -0.152 4.313 59 HE1 TYR 10 HE2 TYR 10 36.334 0.784 7.734 60 HE2 TYR 10 HE1 TYR 10 37.404 -0.117 3.674 61 HH TYR 10 HH TYR 10 34.958 -0.411 5.701 62 H TYR 11 HN TYR 11 43.629 -1.154 6.413 63 HA TYR 11 HA TYR 11 45.728 -1.362 7.363 64 HB2 TYR 11 HB2 TYR 11 44.451 0.851 8.982 65 HB3 TYR 11 HB1 TYR 11 46.168 0.454 9.061 66 HD1 TYR 11 HD1 TYR 11 47.571 0.587 6.968 67 HD2 TYR 11 HD2 TYR 11 43.550 2.086 7.150 68 HE1 TYR 11 HE1 TYR 11 47.978 1.927 4.921 69 HE2 TYR 11 HE2 TYR 11 43.956 3.425 5.104 70 HH TYR 11 HH TYR 11 45.454 4.069 3.596 71 H GLY 12 HN GLY 12 43.922 -3.296 8.342 72 HA2 GLY 12 HA2 GLY 12 45.279 -4.419 10.460 73 HA3 GLY 12 HA1 GLY 12 44.006 -3.454 11.201 74 H ALA 13 HN ALA 13 43.568 -4.901 8.072 75 HA ALA 13 HA ALA 13 41.824 -6.979 9.251 76 HB1 ALA 13 HB1 ALA 13 41.171 -4.831 7.350 77 HB2 ALA 13 HB2 ALA 13 40.109 -5.780 8.390 78 HB3 ALA 13 HB3 ALA 13 40.642 -6.434 6.841 79 H ASP 14 HN ASP 14 44.062 -6.007 6.760 80 HA ASP 14 HA ASP 14 43.891 -8.632 5.457 81 HB2 ASP 14 HB2 ASP 14 45.478 -6.158 4.725 82 HB3 ASP 14 HB1 ASP 14 45.393 -7.639 3.772 83 H ASN 15 HN ASN 15 45.937 -6.728 7.540 84 HA ASN 15 HA ASN 15 48.410 -7.918 7.260 85 HB2 ASN 15 HB2 ASN 15 47.048 -6.370 9.267 86 HB3 ASN 15 HB1 ASN 15 48.000 -7.638 10.039 87 HD21 ASN 15 HD21 ASN 15 48.436 -5.363 7.256 88 HD22 ASN 15 HD22 ASN 15 50.024 -4.937 7.678 89 H GLN 16 HN GLN 16 45.490 -9.246 8.613 90 HA GLN 16 HA GLN 16 46.921 -11.569 9.692 91 HB2 GLN 16 HB2 GLN 16 44.990 -12.069 10.895 92 HB3 GLN 16 HB1 GLN 16 44.945 -10.306 10.847 93 HG2 GLN 16 HG2 GLN 16 43.584 -10.636 8.649 94 HG3 GLN 16 HG1 GLN 16 43.326 -12.275 9.245 95 HE21 GLN 16 HE21 GLN 16 41.373 -12.421 10.344 96 HE22 GLN 16 HE22 GLN 16 40.710 -11.203 11.322 97 H SER 17 HN SER 17 45.264 -10.564 6.887 98 HA SER 17 HA SER 17 44.331 -13.175 6.078 99 HB2 SER 17 HB2 SER 17 43.616 -12.108 4.070 100 HB3 SER 17 HB1 SER 17 43.312 -10.957 5.369 101 HG SER 17 HG SER 17 44.715 -10.551 3.217 102 H GLU 18 HN GLU 18 47.093 -11.083 5.355 103 HA GLU 18 HA GLU 18 48.259 -12.341 3.221 104 HB2 GLU 18 HB2 GLU 18 49.661 -11.298 5.694 105 HB3 GLU 18 HB1 GLU 18 50.438 -11.622 4.144 106 HG2 GLU 18 HG2 GLU 18 48.954 -9.981 3.054 107 HG3 GLU 18 HG1 GLU 18 48.178 -9.653 4.601 108 H CYS 19 HN CYS 19 48.304 -13.373 6.604 109 HA CYS 19 HA CYS 19 50.148 -15.473 6.390 110 HB2 CYS 19 HB2 CYS 19 49.116 -14.516 8.509 111 HB3 CYS 19 HB1 CYS 19 47.702 -15.512 8.161 112 HG CYS 19 HG CYS 19 50.472 -16.921 8.347 113 H GLU 20 HN GLU 20 46.778 -15.255 5.478 114 HA GLU 20 HA GLU 20 46.601 -18.127 4.963 115 HB2 GLU 20 HB2 GLU 20 44.640 -15.843 4.816 116 HB3 GLU 20 HB1 GLU 20 44.264 -17.431 4.148 117 HG2 GLU 20 HG2 GLU 20 43.477 -17.130 6.513 118 HG3 GLU 20 HG1 GLU 20 44.587 -18.483 6.306 119 H TYR 21 HN TYR 21 47.135 -15.134 3.284 120 HA TYR 21 HA TYR 21 46.400 -15.808 0.678 121 HB2 TYR 21 HB2 TYR 21 47.164 -13.549 1.465 122 HB3 TYR 21 HB1 TYR 21 48.816 -14.165 1.461 123 HD1 TYR 21 HD1 TYR 21 49.783 -15.074 -0.706 124 HD2 TYR 21 HD2 TYR 21 46.108 -12.856 -0.546 125 HE1 TYR 21 HE1 TYR 21 49.943 -14.634 -3.141 126 HE2 TYR 21 HE2 TYR 21 46.268 -12.416 -2.982 127 HH TYR 21 HH TYR 21 47.828 -12.386 -4.745 128 H THR 22 HN THR 22 49.482 -16.353 2.368 129 HA THR 22 HA THR 22 50.887 -17.510 0.230 130 HB THR 22 HB THR 22 52.362 -18.448 1.936 131 HG1 THR 22 HG1 THR 22 50.753 -17.482 3.984 132 HG21 THR 22 HG21 THR 22 51.430 -15.811 3.046 133 HG22 THR 22 HG22 THR 22 52.155 -15.898 1.440 134 HG23 THR 22 HG23 THR 22 53.078 -16.412 2.853 135 H ASP 23 HN ASP 23 48.389 -18.771 2.284 136 HA ASP 23 HA ASP 23 48.915 -21.539 1.528 137 HB2 ASP 23 HB2 ASP 23 47.809 -20.399 3.764 138 HB3 ASP 23 HB1 ASP 23 46.379 -20.927 2.878 139 H TRP 24 HN TRP 24 46.321 -19.130 1.112 140 HA TRP 24 HA TRP 24 44.472 -20.484 -0.344 141 HB2 TRP 24 HB2 TRP 24 43.836 -18.299 -0.109 142 HB3 TRP 24 HB1 TRP 24 45.460 -17.682 -0.412 143 HD1 TRP 24 HD1 TRP 24 42.371 -19.012 -2.249 144 HE1 TRP 24 HE1 TRP 24 42.472 -18.225 -4.702 145 HE3 TRP 24 HE3 TRP 24 47.006 -16.868 -2.299 146 HZ2 TRP 24 HZ2 TRP 24 44.279 -16.866 -6.454 147 HZ3 TRP 24 HZ3 TRP 24 47.891 -15.836 -4.371 148 HH2 TRP 24 HH2 TRP 24 46.535 -15.832 -6.447 149 H LYS 25 HN LYS 25 47.262 -18.804 -1.815 150 HA LYS 25 HA LYS 25 46.946 -19.563 -4.436 151 HB2 LYS 25 HB2 LYS 25 48.754 -18.074 -3.475 152 HB3 LYS 25 HB1 LYS 25 49.624 -19.543 -3.037 153 HG2 LYS 25 HG2 LYS 25 49.568 -20.264 -5.412 154 HG3 LYS 25 HG1 LYS 25 48.759 -18.754 -5.834 155 HD2 LYS 25 HD2 LYS 25 50.880 -17.779 -4.453 156 HD3 LYS 25 HD1 LYS 25 51.598 -19.243 -5.127 157 HE2 LYS 25 HE2 LYS 25 51.950 -17.482 -6.730 158 HE3 LYS 25 HE1 LYS 25 50.696 -18.535 -7.383 159 HZ1 LYS 25 HZ1 LYS 25 50.496 -15.809 -6.376 160 HZ2 LYS 25 HZ2 LYS 25 49.196 -16.844 -6.026 161 HZ3 LYS 25 HZ3 LYS 25 49.653 -16.564 -7.638 162 H SER 26 HN SER 26 47.949 -21.522 -1.732 163 HA SER 26 HA SER 26 48.771 -23.734 -3.455 164 HB2 SER 26 HB2 SER 26 48.500 -24.116 -0.526 165 HB3 SER 26 HB1 SER 26 49.788 -24.622 -1.616 166 HG SER 26 HG SER 26 49.268 -21.958 -0.770 167 H SER 27 HN SER 27 46.309 -23.075 -0.964 168 HA SER 27 HA SER 27 44.927 -25.555 -1.472 169 HB2 SER 27 HB2 SER 27 43.568 -23.328 -0.050 170 HB3 SER 27 HB1 SER 27 43.654 -25.039 0.359 171 HG SER 27 HG SER 27 45.006 -23.196 1.485 172 H GLY 28 HN GLY 28 45.217 -22.902 -3.313 173 HA2 GLY 28 HA2 GLY 28 42.425 -22.557 -4.061 174 HA3 GLY 28 HA1 GLY 28 43.809 -21.720 -4.761 175 H ALA 29 HN ALA 29 44.852 -24.750 -4.766 176 HA ALA 29 HA ALA 29 44.019 -25.194 -7.541 177 HB1 ALA 29 HB1 ALA 29 45.966 -26.969 -6.130 178 HB2 ALA 29 HB2 ALA 29 46.466 -25.326 -6.534 179 HB3 ALA 29 HB3 ALA 29 45.950 -26.430 -7.809 180 H LEU 30 HN LEU 30 42.003 -25.607 -5.665 181 HA LEU 30 HA LEU 30 41.186 -28.257 -6.305 182 HB2 LEU 30 HB2 LEU 30 41.128 -29.206 -4.051 183 HB3 LEU 30 HB1 LEU 30 42.785 -28.815 -4.511 184 HG LEU 30 HG LEU 30 41.868 -26.460 -3.359 185 HD11 LEU 30 HD11 LEU 30 40.897 -28.839 -1.744 186 HD12 LEU 30 HD12 LEU 30 39.865 -27.644 -2.529 187 HD13 LEU 30 HD13 LEU 30 40.912 -27.164 -1.193 188 HD21 LEU 30 HD21 LEU 30 43.305 -27.252 -1.406 189 HD22 LEU 30 HD22 LEU 30 44.081 -27.308 -2.988 190 HD23 LEU 30 HD23 LEU 30 43.462 -28.788 -2.258 191 H ILE 31 HN ILE 31 40.767 -25.303 -4.468 192 HA ILE 31 HA ILE 31 38.073 -25.824 -3.678 193 HB ILE 31 HB ILE 31 39.822 -23.385 -3.696 194 HG12 ILE 31 HG12 ILE 31 38.217 -24.697 -1.491 195 HG13 ILE 31 HG11 ILE 31 39.862 -25.187 -1.900 196 HG21 ILE 31 HG21 ILE 31 37.765 -22.294 -2.545 197 HG22 ILE 31 HG22 ILE 31 36.826 -23.526 -3.388 198 HG23 ILE 31 HG23 ILE 31 37.785 -22.365 -4.307 199 HD11 ILE 31 HD11 ILE 31 39.104 -22.334 -1.227 200 HD12 ILE 31 HD12 ILE 31 40.729 -23.005 -1.380 201 HD13 ILE 31 HD13 ILE 31 39.699 -23.484 -0.030 202 HA PRO 32 HA PRO 32 37.212 -22.987 -7.596 203 HB2 PRO 32 HB2 PRO 32 39.063 -24.349 -9.475 204 HB3 PRO 32 HB1 PRO 32 38.679 -22.625 -9.319 205 HG2 PRO 32 HG2 PRO 32 41.016 -23.618 -8.511 206 HG3 PRO 32 HG1 PRO 32 40.211 -22.295 -7.649 207 HD2 PRO 32 HD2 PRO 32 40.397 -25.191 -6.908 208 HD3 PRO 32 HD1 PRO 32 40.425 -23.757 -5.864 209 H ALA 33 HN ALA 33 38.110 -26.381 -7.595 210 HA ALA 33 HA ALA 33 36.502 -27.347 -9.665 211 HB1 ALA 33 HB1 ALA 33 37.577 -29.187 -8.962 212 HB2 ALA 33 HB2 ALA 33 36.405 -29.288 -7.648 213 HB3 ALA 33 HB3 ALA 33 37.936 -28.448 -7.401 214 H ILE 34 HN ILE 34 35.695 -27.589 -6.195 215 HA ILE 34 HA ILE 34 33.023 -28.246 -6.477 216 HB ILE 34 HB ILE 34 34.586 -26.835 -4.345 217 HG12 ILE 34 HG12 ILE 34 34.365 -29.421 -4.890 218 HG13 ILE 34 HG11 ILE 34 34.389 -28.857 -3.220 219 HG21 ILE 34 HG21 ILE 34 31.583 -27.064 -4.538 220 HG22 ILE 34 HG22 ILE 34 32.553 -25.667 -4.074 221 HG23 ILE 34 HG23 ILE 34 32.394 -27.031 -2.972 222 HD11 ILE 34 HD11 ILE 34 32.527 -30.526 -3.902 223 HD12 ILE 34 HD12 ILE 34 31.786 -29.152 -4.721 224 HD13 ILE 34 HD13 ILE 34 32.051 -29.101 -2.979 225 H TYR 35 HN TYR 35 34.528 -25.043 -6.440 226 HA TYR 35 HA TYR 35 32.177 -23.498 -6.429 227 HB2 TYR 35 HB2 TYR 35 35.000 -23.061 -6.809 228 HB3 TYR 35 HB1 TYR 35 34.081 -22.131 -7.993 229 HD1 TYR 35 HD2 TYR 35 34.242 -22.931 -4.343 230 HD2 TYR 35 HD1 TYR 35 32.987 -20.144 -7.362 231 HE1 TYR 35 HE2 TYR 35 33.612 -21.304 -2.580 232 HE2 TYR 35 HE1 TYR 35 32.358 -18.518 -5.599 233 HH TYR 35 HH TYR 35 32.654 -19.345 -2.146 234 H MET 36 HN MET 36 34.264 -24.284 -9.222 235 HA MET 36 HA MET 36 32.510 -23.351 -11.199 236 HB2 MET 36 HB2 MET 36 34.862 -25.162 -11.119 237 HB3 MET 36 HB1 MET 36 33.817 -25.286 -12.535 238 HG2 MET 36 HG2 MET 36 35.723 -23.587 -12.695 239 HG3 MET 36 HG1 MET 36 34.112 -22.982 -13.077 240 HE1 MET 36 HE1 MET 36 34.455 -20.488 -12.663 241 HE2 MET 36 HE2 MET 36 33.813 -20.000 -11.098 242 HE3 MET 36 HE3 MET 36 32.963 -21.213 -12.051 243 H LEU 37 HN LEU 37 33.054 -26.714 -10.125 244 HA LEU 37 HA LEU 37 31.171 -28.022 -11.635 245 HB2 LEU 37 HB2 LEU 37 32.782 -29.014 -9.929 246 HB3 LEU 37 HB1 LEU 37 31.580 -28.611 -8.702 247 HG LEU 37 HG LEU 37 29.977 -29.842 -10.484 248 HD11 LEU 37 HD11 LEU 37 31.905 -30.295 -12.003 249 HD12 LEU 37 HD12 LEU 37 31.123 -31.774 -11.444 250 HD13 LEU 37 HD13 LEU 37 32.648 -31.258 -10.726 251 HD21 LEU 37 HD21 LEU 37 31.666 -30.917 -8.234 252 HD22 LEU 37 HD22 LEU 37 30.578 -31.991 -9.113 253 HD23 LEU 37 HD23 LEU 37 29.933 -30.590 -8.258 254 H VAL 38 HN VAL 38 30.665 -25.990 -8.819 255 HA VAL 38 HA VAL 38 27.801 -26.604 -8.776 256 HB VAL 38 HB VAL 38 29.602 -24.964 -6.993 257 HG11 VAL 38 HG11 VAL 38 26.595 -25.121 -7.141 258 HG12 VAL 38 HG12 VAL 38 27.617 -23.694 -6.965 259 HG13 VAL 38 HG13 VAL 38 27.408 -24.802 -5.609 260 HG21 VAL 38 HG21 VAL 38 27.867 -27.413 -6.527 261 HG22 VAL 38 HG22 VAL 38 28.892 -26.633 -5.322 262 HG23 VAL 38 HG23 VAL 38 29.620 -27.426 -6.718 263 H PHE 39 HN PHE 39 29.924 -24.420 -10.243 264 HA PHE 39 HA PHE 39 28.102 -22.169 -10.332 265 HB2 PHE 39 HB2 PHE 39 30.689 -22.098 -10.405 266 HB3 PHE 39 HB1 PHE 39 30.506 -22.526 -12.106 267 HD1 PHE 39 HD2 PHE 39 29.021 -21.062 -13.579 268 HD2 PHE 39 HD1 PHE 39 30.330 -19.878 -9.663 269 HE1 PHE 39 HE2 PHE 39 28.499 -18.698 -14.119 270 HE2 PHE 39 HE1 PHE 39 29.808 -17.515 -10.203 271 HZ PHE 39 HZ PHE 39 28.892 -16.924 -12.431 272 H LEU 40 HN LEU 40 29.446 -24.440 -12.740 273 HA LEU 40 HA LEU 40 27.642 -23.574 -14.796 274 HB2 LEU 40 HB2 LEU 40 28.511 -25.670 -15.965 275 HB3 LEU 40 HB1 LEU 40 29.715 -24.453 -15.546 276 HG LEU 40 HG LEU 40 29.304 -26.310 -13.348 277 HD11 LEU 40 HD11 LEU 40 30.227 -27.463 -15.997 278 HD12 LEU 40 HD12 LEU 40 28.726 -27.875 -15.171 279 HD13 LEU 40 HD13 LEU 40 30.277 -28.292 -14.441 280 HD21 LEU 40 HD21 LEU 40 31.244 -24.732 -13.794 281 HD22 LEU 40 HD22 LEU 40 31.744 -25.829 -15.082 282 HD23 LEU 40 HD23 LEU 40 31.713 -26.389 -13.409 283 H LEU 41 HN LEU 41 27.081 -25.280 -12.051 284 HA LEU 41 HA LEU 41 24.828 -26.757 -13.279 285 HB2 LEU 41 HB2 LEU 41 26.499 -27.608 -10.902 286 HB3 LEU 41 HB1 LEU 41 25.086 -28.463 -11.516 287 HG LEU 41 HG LEU 41 27.619 -27.922 -13.100 288 HD11 LEU 41 HD11 LEU 41 26.963 -30.703 -12.648 289 HD12 LEU 41 HD12 LEU 41 27.121 -29.854 -11.109 290 HD13 LEU 41 HD13 LEU 41 28.451 -29.839 -12.266 291 HD21 LEU 41 HD21 LEU 41 26.007 -28.155 -14.752 292 HD22 LEU 41 HD22 LEU 41 24.956 -29.141 -13.738 293 HD23 LEU 41 HD23 LEU 41 26.392 -29.851 -14.473 294 H GLY 42 HN GLY 42 25.743 -24.271 -11.293 295 HA2 GLY 42 HA2 GLY 42 23.166 -24.361 -9.834 296 HA3 GLY 42 HA1 GLY 42 24.653 -23.824 -9.059 297 H THR 43 HN THR 43 24.682 -22.906 -12.271 298 HA THR 43 HA THR 43 23.232 -20.398 -11.863 299 HB THR 43 HB THR 43 26.036 -20.184 -12.885 300 HG1 THR 43 HG1 THR 43 26.842 -20.151 -10.880 301 HG21 THR 43 HG21 THR 43 24.300 -18.321 -12.913 302 HG22 THR 43 HG22 THR 43 25.823 -17.931 -12.115 303 HG23 THR 43 HG23 THR 43 24.398 -18.325 -11.153 304 H THR 44 HN THR 44 23.543 -22.964 -13.664 305 HA THR 44 HA THR 44 23.298 -21.510 -16.232 306 HB THR 44 HB THR 44 24.556 -24.180 -15.617 307 HG1 THR 44 HG1 THR 44 25.642 -22.412 -17.416 308 HG21 THR 44 HG21 THR 44 23.277 -24.786 -17.471 309 HG22 THR 44 HG22 THR 44 24.749 -24.187 -18.236 310 HG23 THR 44 HG23 THR 44 23.317 -23.160 -18.154 311 H GLY 45 HN GLY 45 22.147 -24.117 -14.173 312 HA2 GLY 45 HA2 GLY 45 19.652 -24.193 -15.760 313 HA3 GLY 45 HA1 GLY 45 20.421 -25.678 -15.208 314 H ASN 46 HN ASN 46 20.553 -22.862 -13.198 315 HA ASN 46 HA ASN 46 18.341 -23.863 -11.527 316 HB2 ASN 46 HB2 ASN 46 21.167 -23.272 -10.639 317 HB3 ASN 46 HB1 ASN 46 19.808 -23.362 -9.518 318 HD21 ASN 46 HD21 ASN 46 21.607 -25.293 -11.947 319 HD22 ASN 46 HD22 ASN 46 21.179 -26.798 -11.289 320 H GLY 47 HN GLY 47 20.663 -21.241 -12.122 321 HA2 GLY 47 HA2 GLY 47 19.155 -19.279 -10.667 322 HA3 GLY 47 HA1 GLY 47 20.516 -18.965 -11.738 323 H LEU 48 HN LEU 48 19.528 -20.128 -14.093 324 HA LEU 48 HA LEU 48 18.041 -18.024 -15.196 325 HB2 LEU 48 HB2 LEU 48 19.444 -19.640 -16.492 326 HB3 LEU 48 HB1 LEU 48 18.212 -20.869 -16.220 327 HG LEU 48 HG LEU 48 16.536 -19.404 -17.344 328 HD11 LEU 48 HD11 LEU 48 17.197 -17.197 -17.224 329 HD12 LEU 48 HD12 LEU 48 17.824 -17.586 -18.825 330 HD13 LEU 48 HD13 LEU 48 18.906 -17.584 -17.434 331 HD21 LEU 48 HD21 LEU 48 17.501 -19.657 -19.646 332 HD22 LEU 48 HD22 LEU 48 17.656 -21.112 -18.662 333 HD23 LEU 48 HD23 LEU 48 19.050 -20.061 -18.907 334 H VAL 49 HN VAL 49 16.987 -21.302 -14.265 335 HA VAL 49 HA VAL 49 14.274 -21.003 -14.907 336 HB VAL 49 HB VAL 49 15.736 -22.740 -12.928 337 HG11 VAL 49 HG11 VAL 49 13.680 -22.609 -11.828 338 HG12 VAL 49 HG12 VAL 49 13.404 -23.956 -12.932 339 HG13 VAL 49 HG13 VAL 49 12.783 -22.353 -13.325 340 HG21 VAL 49 HG21 VAL 49 15.599 -22.944 -15.587 341 HG22 VAL 49 HG22 VAL 49 14.053 -23.703 -15.205 342 HG23 VAL 49 HG23 VAL 49 15.550 -24.374 -14.555 343 H LEU 50 HN LEU 50 15.582 -21.026 -11.587 344 HA LEU 50 HA LEU 50 13.426 -20.038 -10.234 345 HB2 LEU 50 HB2 LEU 50 16.377 -19.650 -9.815 346 HB3 LEU 50 HB1 LEU 50 15.211 -18.891 -8.732 347 HG LEU 50 HG LEU 50 14.870 -21.794 -9.373 348 HD11 LEU 50 HD11 LEU 50 17.092 -22.034 -8.762 349 HD12 LEU 50 HD12 LEU 50 16.338 -22.049 -7.169 350 HD13 LEU 50 HD13 LEU 50 17.088 -20.573 -7.775 351 HD21 LEU 50 HD21 LEU 50 13.409 -20.139 -7.888 352 HD22 LEU 50 HD22 LEU 50 14.626 -20.522 -6.671 353 HD23 LEU 50 HD23 LEU 50 13.662 -21.812 -7.390 354 H TRP 51 HN TRP 51 15.613 -18.280 -12.317 355 HA TRP 51 HA TRP 51 14.668 -15.670 -11.509 356 HB2 TRP 51 HB2 TRP 51 16.929 -15.836 -12.323 357 HB3 TRP 51 HB1 TRP 51 16.388 -16.598 -13.818 358 HD1 TRP 51 HD1 TRP 51 16.517 -13.238 -12.031 359 HE1 TRP 51 HE1 TRP 51 15.976 -11.370 -13.723 360 HE3 TRP 51 HE3 TRP 51 15.122 -16.063 -16.050 361 HZ2 TRP 51 HZ2 TRP 51 15.071 -11.108 -16.424 362 HZ3 TRP 51 HZ3 TRP 51 14.427 -14.980 -18.167 363 HH2 TRP 51 HH2 TRP 51 14.399 -12.508 -18.359 364 H THR 52 HN THR 52 14.217 -17.816 -14.306 365 HA THR 52 HA THR 52 12.488 -16.078 -15.737 366 HB THR 52 HB THR 52 12.782 -19.089 -15.848 367 HG1 THR 52 HG1 THR 52 14.628 -18.325 -16.590 368 HG21 THR 52 HG21 THR 52 11.125 -17.131 -17.374 369 HG22 THR 52 HG22 THR 52 10.776 -18.807 -16.949 370 HG23 THR 52 HG23 THR 52 11.881 -18.445 -18.276 371 H VAL 53 HN VAL 53 11.873 -18.804 -13.536 372 HA VAL 53 HA VAL 53 9.076 -18.830 -13.726 373 HB VAL 53 HB VAL 53 11.017 -19.670 -11.591 374 HG11 VAL 53 HG11 VAL 53 9.218 -19.064 -10.209 375 HG12 VAL 53 HG12 VAL 53 8.869 -20.753 -10.574 376 HG13 VAL 53 HG13 VAL 53 8.017 -19.471 -11.434 377 HG21 VAL 53 HG21 VAL 53 10.556 -21.822 -12.357 378 HG22 VAL 53 HG22 VAL 53 10.391 -20.897 -13.849 379 HG23 VAL 53 HG23 VAL 53 8.955 -21.378 -12.946 380 H PHE 54 HN PHE 54 11.209 -17.067 -11.491 381 HA PHE 54 HA PHE 54 9.266 -15.864 -9.900 382 HB2 PHE 54 HB2 PHE 54 12.085 -15.444 -10.489 383 HB3 PHE 54 HB1 PHE 54 11.240 -13.927 -10.184 384 HD1 PHE 54 HD2 PHE 54 11.526 -17.409 -8.822 385 HD2 PHE 54 HD1 PHE 54 10.883 -13.248 -7.972 386 HE1 PHE 54 HE2 PHE 54 11.511 -17.908 -6.392 387 HE2 PHE 54 HE1 PHE 54 10.870 -13.747 -5.544 388 HZ PHE 54 HZ PHE 54 11.184 -16.076 -4.753 389 H ARG 55 HN ARG 55 10.011 -15.347 -13.205 390 HA ARG 55 HA ARG 55 8.708 -12.718 -13.254 391 HB2 ARG 55 HB2 ARG 55 10.516 -14.223 -15.057 392 HB3 ARG 55 HB1 ARG 55 9.307 -13.205 -15.840 393 HG2 ARG 55 HG2 ARG 55 10.125 -11.242 -14.840 394 HG3 ARG 55 HG1 ARG 55 10.959 -12.129 -13.564 395 HD2 ARG 55 HD2 ARG 55 12.232 -11.131 -15.729 396 HD3 ARG 55 HD1 ARG 55 12.781 -12.568 -14.871 397 HE ARG 55 HE ARG 55 12.060 -13.874 -16.672 398 HH11 ARG 55 HH21 ARG 55 10.970 -10.598 -16.925 399 HH12 ARG 55 HH22 ARG 55 10.422 -10.761 -18.559 400 HH21 ARG 55 HH11 ARG 55 11.343 -14.094 -18.817 401 HH22 ARG 55 HH12 ARG 55 10.633 -12.741 -19.631 402 H LYS 56 HN LYS 56 7.911 -15.972 -13.550 403 HA LYS 56 HA LYS 56 5.599 -15.395 -15.293 404 HB2 LYS 56 HB2 LYS 56 5.731 -17.517 -16.096 405 HB3 LYS 56 HB1 LYS 56 7.394 -17.406 -15.527 406 HG2 LYS 56 HG2 LYS 56 6.566 -18.344 -13.298 407 HG3 LYS 56 HG1 LYS 56 5.035 -18.684 -14.107 408 HD2 LYS 56 HD2 LYS 56 7.599 -19.666 -15.341 409 HD3 LYS 56 HD1 LYS 56 6.882 -20.547 -13.996 410 HE2 LYS 56 HE2 LYS 56 5.042 -19.747 -16.195 411 HE3 LYS 56 HE1 LYS 56 6.198 -21.030 -16.550 412 HZ1 LYS 56 HZ1 LYS 56 3.840 -21.401 -15.326 413 HZ2 LYS 56 HZ2 LYS 56 4.883 -21.271 -13.992 414 HZ3 LYS 56 HZ3 LYS 56 5.167 -22.447 -15.185 415 H LYS 57 HN LYS 57 6.575 -16.392 -12.102 416 HA LYS 57 HA LYS 57 3.843 -17.056 -11.313 417 HB2 LYS 57 HB2 LYS 57 4.809 -17.684 -9.184 418 HB3 LYS 57 HB1 LYS 57 5.797 -18.372 -10.472 419 HG2 LYS 57 HG2 LYS 57 7.550 -17.394 -9.431 420 HG3 LYS 57 HG1 LYS 57 6.937 -15.879 -10.095 421 HD2 LYS 57 HD2 LYS 57 5.564 -15.552 -8.062 422 HD3 LYS 57 HD1 LYS 57 6.206 -17.053 -7.395 423 HE2 LYS 57 HE2 LYS 57 8.508 -16.096 -7.565 424 HE3 LYS 57 HE1 LYS 57 7.800 -14.573 -8.101 425 HZ1 LYS 57 HZ1 LYS 57 6.560 -15.565 -5.728 426 HZ2 LYS 57 HZ2 LYS 57 7.248 -14.041 -6.032 427 HZ3 LYS 57 HZ3 LYS 57 8.226 -15.331 -5.514 428 H GLY 58 HN GLY 58 6.048 -14.400 -11.243 429 HA2 GLY 58 HA2 GLY 58 4.779 -12.972 -9.085 430 HA3 GLY 58 HA1 GLY 58 5.987 -12.334 -10.197 431 H HIS 59 HN HIS 59 4.395 -13.207 -12.545 432 HA HIS 59 HA HIS 59 3.048 -10.830 -13.108 433 HB2 HIS 59 HB2 HIS 59 3.652 -13.187 -14.482 434 HB3 HIS 59 HB1 HIS 59 1.891 -13.081 -14.525 435 HD2 HIS 59 HD2 HIS 59 4.856 -11.590 -16.388 436 HE1 HIS 59 HE1 HIS 59 1.636 -8.948 -17.081 437 HE2 HIS 59 HE2 HIS 59 3.991 -9.569 -17.797 438 H HIS 60 HN HIS 60 1.986 -13.685 -11.426 439 HA HIS 60 HA HIS 60 -0.796 -12.716 -11.416 440 HB2 HIS 60 HB2 HIS 60 0.326 -15.353 -10.440 441 HB3 HIS 60 HB1 HIS 60 -1.380 -14.925 -10.568 442 HD2 HIS 60 HD2 HIS 60 -2.396 -14.859 -13.242 443 HE1 HIS 60 HE1 HIS 60 1.071 -16.466 -15.035 444 HE2 HIS 60 HE2 HIS 60 -1.361 -15.848 -15.426 445 H HIS 61 HN HIS 61 1.244 -14.382 -9.020 446 HA HIS 61 HA HIS 61 1.791 -13.819 -6.857 447 HB2 HIS 61 HB2 HIS 61 1.615 -11.413 -7.956 448 HB3 HIS 61 HB1 HIS 61 0.192 -11.309 -6.922 449 HD2 HIS 61 HD2 HIS 61 4.015 -11.032 -6.605 450 HE1 HIS 61 HE1 HIS 61 2.519 -11.389 -2.674 451 HE2 HIS 61 HE2 HIS 61 4.578 -10.858 -4.062 452 H HIS 62 HN HIS 62 -0.146 -12.163 -5.240 453 HA HIS 62 HA HIS 62 -1.639 -14.264 -4.130 454 HB2 HIS 62 HB2 HIS 62 -2.931 -12.343 -3.024 455 HB3 HIS 62 HB1 HIS 62 -1.195 -12.426 -2.722 456 HD2 HIS 62 HD2 HIS 62 -3.663 -9.798 -3.765 457 HE1 HIS 62 HE1 HIS 62 -0.023 -8.596 -5.536 458 HE2 HIS 62 HE2 HIS 62 -2.382 -7.857 -4.950 459 H HIS 63 HN HIS 63 -3.602 -11.520 -4.808 460 HA HIS 63 HA HIS 63 -5.690 -13.144 -5.900 461 HB2 HIS 63 HB2 HIS 63 -6.044 -11.086 -4.490 462 HB3 HIS 63 HB1 HIS 63 -5.527 -10.125 -5.876 463 HD2 HIS 63 HD2 HIS 63 -7.559 -9.613 -7.692 464 HE1 HIS 63 HE1 HIS 63 -10.319 -12.488 -6.299 465 HE2 HIS 63 HE2 HIS 63 -9.971 -10.581 -7.939 466 H HIS 64 HN HIS 64 -3.370 -13.364 -7.450 467 HA HIS 64 HA HIS 64 -2.538 -13.117 -9.578 468 HB2 HIS 64 HB2 HIS 64 -4.077 -13.773 -11.252 469 HB3 HIS 64 HB1 HIS 64 -4.681 -14.514 -9.769 470 HD2 HIS 64 HD2 HIS 64 -7.220 -13.641 -8.984 471 HE1 HIS 64 HE1 HIS 64 -7.654 -10.595 -11.874 472 HE2 HIS 64 HE2 HIS 64 -8.838 -11.881 -10.033 Start of MODEL 23 1 H1 MET 1 HT1 MET 1 35.812 -7.909 23.866 2 H2 MET 1 HT2 MET 1 34.876 -8.342 22.515 3 H3 MET 1 HT3 MET 1 35.273 -6.713 22.791 4 HA MET 1 HA MET 1 37.110 -6.919 21.604 5 HB2 MET 1 HB2 MET 1 37.599 -8.541 23.955 6 HB3 MET 1 HB1 MET 1 38.457 -9.196 22.560 7 HG2 MET 1 HG2 MET 1 39.838 -7.518 23.729 8 HG3 MET 1 HG1 MET 1 39.422 -6.970 22.105 9 HE1 MET 1 HE1 MET 1 40.251 -5.319 25.048 10 HE2 MET 1 HE2 MET 1 39.548 -3.816 24.456 11 HE3 MET 1 HE3 MET 1 40.448 -4.854 23.353 12 H GLU 2 HN GLU 2 37.245 -7.629 19.567 13 HA GLU 2 HA GLU 2 36.693 -8.869 17.692 14 HB2 GLU 2 HB2 GLU 2 37.899 -11.008 19.466 15 HB3 GLU 2 HB1 GLU 2 37.715 -11.114 17.716 16 HG2 GLU 2 HG2 GLU 2 39.247 -9.327 17.343 17 HG3 GLU 2 HG1 GLU 2 39.218 -8.852 19.040 18 H GLU 3 HN GLU 3 35.965 -11.524 17.365 19 HA GLU 3 HA GLU 3 34.114 -12.882 17.319 20 HB2 GLU 3 HB2 GLU 3 34.776 -12.692 19.927 21 HB3 GLU 3 HB1 GLU 3 33.157 -11.994 19.980 22 HG2 GLU 3 HG2 GLU 3 32.457 -14.042 18.551 23 HG3 GLU 3 HG1 GLU 3 33.985 -14.745 19.075 24 H GLY 4 HN GLY 4 31.737 -12.863 17.260 25 HA2 GLY 4 HA2 GLY 4 29.805 -11.203 17.701 26 HA3 GLY 4 HA1 GLY 4 30.747 -10.156 16.644 27 H GLY 5 HN GLY 5 30.795 -10.544 14.440 28 HA2 GLY 5 HA2 GLY 5 29.603 -12.927 13.307 29 HA3 GLY 5 HA1 GLY 5 28.631 -11.473 13.103 30 H ASP 6 HN ASP 6 29.816 -9.560 12.163 31 HA ASP 6 HA ASP 6 32.179 -10.052 10.597 32 HB2 ASP 6 HB2 ASP 6 30.093 -11.108 9.372 33 HB3 ASP 6 HB1 ASP 6 29.780 -9.433 8.922 34 H PHE 7 HN PHE 7 31.586 -8.151 12.530 35 HA PHE 7 HA PHE 7 31.061 -5.669 11.035 36 HB2 PHE 7 HB2 PHE 7 31.476 -5.691 13.990 37 HB3 PHE 7 HB1 PHE 7 30.386 -4.706 13.014 38 HD1 PHE 7 HD2 PHE 7 28.368 -5.842 11.926 39 HD2 PHE 7 HD1 PHE 7 30.722 -7.689 15.008 40 HE1 PHE 7 HE2 PHE 7 26.519 -7.429 12.387 41 HE2 PHE 7 HE1 PHE 7 28.873 -9.276 15.469 42 HZ PHE 7 HZ PHE 7 26.771 -9.146 14.159 43 H ASP 8 HN ASP 8 32.405 -3.777 12.246 44 HA ASP 8 HA ASP 8 34.470 -2.746 12.133 45 HB2 ASP 8 HB2 ASP 8 34.334 -4.337 14.322 46 HB3 ASP 8 HB1 ASP 8 35.767 -5.001 13.538 47 H ASN 9 HN ASN 9 33.842 -4.566 9.926 48 HA ASN 9 HA ASN 9 35.744 -6.311 9.081 49 HB2 ASN 9 HB2 ASN 9 33.768 -5.593 7.750 50 HB3 ASN 9 HB1 ASN 9 34.610 -4.093 7.364 51 HD21 ASN 9 HD21 ASN 9 36.306 -4.172 5.783 52 HD22 ASN 9 HD22 ASN 9 36.675 -5.580 4.910 53 H TYR 10 HN TYR 10 35.978 -2.995 7.841 54 HA TYR 10 HA TYR 10 38.595 -2.986 7.085 55 HB2 TYR 10 HB2 TYR 10 37.528 -0.580 8.523 56 HB3 TYR 10 HB1 TYR 10 38.491 -0.660 7.049 57 HD1 TYR 10 HD1 TYR 10 37.175 -2.459 5.291 58 HD2 TYR 10 HD2 TYR 10 35.404 0.288 8.079 59 HE1 TYR 10 HE1 TYR 10 35.104 -2.409 3.928 60 HE2 TYR 10 HE2 TYR 10 33.334 0.337 6.716 61 HH TYR 10 HH TYR 10 32.921 -1.792 3.925 62 H TYR 11 HN TYR 11 40.561 -2.223 8.050 63 HA TYR 11 HA TYR 11 42.182 -2.530 9.671 64 HB2 TYR 11 HB2 TYR 11 40.760 -0.312 10.182 65 HB3 TYR 11 HB1 TYR 11 40.425 -1.202 11.668 66 HD1 TYR 11 HD1 TYR 11 43.107 0.215 9.537 67 HD2 TYR 11 HD2 TYR 11 42.144 -1.618 13.301 68 HE1 TYR 11 HE1 TYR 11 45.358 0.799 10.397 69 HE2 TYR 11 HE2 TYR 11 44.395 -1.033 14.161 70 HH TYR 11 HH TYR 11 46.198 0.410 13.756 71 H GLY 12 HN GLY 12 40.501 -4.775 9.453 72 HA2 GLY 12 HA2 GLY 12 41.158 -6.309 11.628 73 HA3 GLY 12 HA1 GLY 12 39.587 -5.629 12.039 74 H ALA 13 HN ALA 13 40.476 -6.290 8.739 75 HA ALA 13 HA ALA 13 38.725 -8.674 8.725 76 HB1 ALA 13 HB1 ALA 13 37.280 -7.310 7.613 77 HB2 ALA 13 HB2 ALA 13 38.328 -7.682 6.243 78 HB3 ALA 13 HB3 ALA 13 38.549 -6.180 7.138 79 H ASP 14 HN ASP 14 41.539 -7.016 7.504 80 HA ASP 14 HA ASP 14 42.185 -9.238 5.701 81 HB2 ASP 14 HB2 ASP 14 44.119 -7.772 5.061 82 HB3 ASP 14 HB1 ASP 14 42.540 -7.047 4.766 83 H ASN 15 HN ASN 15 43.088 -7.857 8.769 84 HA ASN 15 HA ASN 15 45.633 -8.868 9.170 85 HB2 ASN 15 HB2 ASN 15 43.382 -8.067 10.885 86 HB3 ASN 15 HB1 ASN 15 44.484 -9.225 11.629 87 HD21 ASN 15 HD21 ASN 15 44.218 -5.936 10.371 88 HD22 ASN 15 HD22 ASN 15 45.732 -5.411 10.930 89 H GLN 16 HN GLN 16 42.589 -10.549 9.046 90 HA GLN 16 HA GLN 16 43.756 -13.013 10.110 91 HB2 GLN 16 HB2 GLN 16 41.552 -13.877 10.160 92 HB3 GLN 16 HB1 GLN 16 41.389 -12.190 10.650 93 HG2 GLN 16 HG2 GLN 16 40.993 -11.708 8.138 94 HG3 GLN 16 HG1 GLN 16 40.719 -13.442 7.990 95 HE21 GLN 16 HE21 GLN 16 38.686 -14.246 8.654 96 HE22 GLN 16 HE22 GLN 16 37.495 -13.294 9.398 97 H SER 17 HN SER 17 42.515 -11.663 7.091 98 HA SER 17 HA SER 17 42.602 -14.011 5.537 99 HB2 SER 17 HB2 SER 17 42.255 -12.630 3.701 100 HB3 SER 17 HB1 SER 17 41.640 -11.628 5.013 101 HG SER 17 HG SER 17 43.139 -10.249 4.537 102 H GLU 18 HN GLU 18 45.068 -11.592 6.294 103 HA GLU 18 HA GLU 18 47.092 -12.135 4.564 104 HB2 GLU 18 HB2 GLU 18 46.964 -11.320 7.393 105 HB3 GLU 18 HB1 GLU 18 48.500 -12.036 6.902 106 HG2 GLU 18 HG2 GLU 18 48.731 -10.448 5.092 107 HG3 GLU 18 HG1 GLU 18 47.115 -9.811 5.385 108 H CYS 19 HN CYS 19 47.133 -13.725 7.740 109 HA CYS 19 HA CYS 19 48.902 -15.728 7.277 110 HB2 CYS 19 HB2 CYS 19 46.302 -15.933 8.810 111 HB3 CYS 19 HB1 CYS 19 47.624 -17.095 8.925 112 HG CYS 19 HG CYS 19 48.907 -14.533 9.487 113 H GLU 20 HN GLU 20 45.685 -15.468 5.982 114 HA GLU 20 HA GLU 20 45.629 -18.220 5.036 115 HB2 GLU 20 HB2 GLU 20 43.712 -16.106 5.432 116 HB3 GLU 20 HB1 GLU 20 43.595 -16.724 3.784 117 HG2 GLU 20 HG2 GLU 20 42.147 -18.019 5.289 118 HG3 GLU 20 HG1 GLU 20 43.449 -19.029 4.667 119 H TYR 21 HN TYR 21 46.190 -14.985 3.778 120 HA TYR 21 HA TYR 21 46.068 -15.418 1.047 121 HB2 TYR 21 HB2 TYR 21 46.428 -13.201 1.928 122 HB3 TYR 21 HB1 TYR 21 47.968 -13.684 2.639 123 HD1 TYR 21 HD2 TYR 21 49.872 -14.366 1.130 124 HD2 TYR 21 HD1 TYR 21 46.266 -12.576 -0.369 125 HE1 TYR 21 HE2 TYR 21 51.027 -13.820 -0.996 126 HE2 TYR 21 HE1 TYR 21 47.421 -12.030 -2.495 127 HH TYR 21 HH TYR 21 49.385 -12.882 -3.790 128 H THR 22 HN THR 22 48.542 -16.371 3.341 129 HA THR 22 HA THR 22 50.466 -17.122 1.331 130 HB THR 22 HB THR 22 51.615 -18.217 3.300 131 HG1 THR 22 HG1 THR 22 49.827 -16.862 4.948 132 HG21 THR 22 HG21 THR 22 50.771 -15.335 3.708 133 HG22 THR 22 HG22 THR 22 52.020 -15.858 2.578 134 HG23 THR 22 HG23 THR 22 52.243 -16.095 4.312 135 H ASP 23 HN ASP 23 47.688 -18.556 2.732 136 HA ASP 23 HA ASP 23 48.537 -21.273 1.999 137 HB2 ASP 23 HB2 ASP 23 46.558 -20.111 3.845 138 HB3 ASP 23 HB1 ASP 23 45.995 -21.528 2.962 139 H TRP 24 HN TRP 24 45.726 -19.125 1.501 140 HA TRP 24 HA TRP 24 44.285 -20.525 -0.338 141 HB2 TRP 24 HB2 TRP 24 43.242 -18.539 0.045 142 HB3 TRP 24 HB1 TRP 24 44.758 -17.643 0.143 143 HD1 TRP 24 HD1 TRP 24 42.274 -19.057 -2.408 144 HE1 TRP 24 HE1 TRP 24 42.616 -17.838 -4.654 145 HE3 TRP 24 HE3 TRP 24 46.417 -16.292 -1.287 146 HZ2 TRP 24 HZ2 TRP 24 44.411 -15.941 -5.821 147 HZ3 TRP 24 HZ3 TRP 24 47.422 -14.789 -2.983 148 HH2 TRP 24 HH2 TRP 24 46.424 -14.609 -5.245 149 H LYS 25 HN LYS 25 47.089 -18.451 -1.061 150 HA LYS 25 HA LYS 25 47.172 -18.652 -3.807 151 HB2 LYS 25 HB2 LYS 25 48.742 -17.362 -2.257 152 HB3 LYS 25 HB1 LYS 25 49.651 -18.866 -2.100 153 HG2 LYS 25 HG2 LYS 25 49.974 -18.959 -4.525 154 HG3 LYS 25 HG1 LYS 25 49.003 -17.499 -4.729 155 HD2 LYS 25 HD2 LYS 25 50.633 -16.122 -3.774 156 HD3 LYS 25 HD1 LYS 25 51.396 -17.457 -2.911 157 HE2 LYS 25 HE2 LYS 25 52.630 -16.550 -4.984 158 HE3 LYS 25 HE1 LYS 25 52.414 -18.297 -4.880 159 HZ1 LYS 25 HZ1 LYS 25 50.199 -16.979 -6.124 160 HZ2 LYS 25 HZ2 LYS 25 51.117 -18.301 -6.667 161 HZ3 LYS 25 HZ3 LYS 25 51.652 -16.716 -6.959 162 H SER 26 HN SER 26 48.040 -21.063 -1.413 163 HA SER 26 HA SER 26 49.059 -22.870 -3.484 164 HB2 SER 26 HB2 SER 26 50.040 -22.491 -1.064 165 HB3 SER 26 HB1 SER 26 48.796 -23.652 -0.608 166 HG SER 26 HG SER 26 50.408 -24.182 -2.838 167 H SER 27 HN SER 27 46.457 -22.649 -1.083 168 HA SER 27 HA SER 27 45.280 -25.164 -1.832 169 HB2 SER 27 HB2 SER 27 44.382 -22.864 -0.105 170 HB3 SER 27 HB1 SER 27 43.324 -24.227 -0.458 171 HG SER 27 HG SER 27 45.383 -25.451 0.216 172 H GLY 28 HN GLY 28 45.579 -22.479 -3.582 173 HA2 GLY 28 HA2 GLY 28 42.842 -22.206 -4.530 174 HA3 GLY 28 HA1 GLY 28 44.248 -21.322 -5.119 175 H ALA 29 HN ALA 29 45.429 -24.276 -5.122 176 HA ALA 29 HA ALA 29 44.752 -24.726 -7.937 177 HB1 ALA 29 HB1 ALA 29 47.153 -24.740 -6.806 178 HB2 ALA 29 HB2 ALA 29 46.763 -25.837 -8.130 179 HB3 ALA 29 HB3 ALA 29 46.726 -26.418 -6.465 180 H LEU 30 HN LEU 30 42.664 -25.280 -6.200 181 HA LEU 30 HA LEU 30 42.018 -27.949 -6.910 182 HB2 LEU 30 HB2 LEU 30 41.933 -28.971 -4.695 183 HB3 LEU 30 HB1 LEU 30 43.581 -28.467 -5.064 184 HG LEU 30 HG LEU 30 42.495 -26.208 -3.885 185 HD11 LEU 30 HD11 LEU 30 40.499 -27.499 -3.213 186 HD12 LEU 30 HD12 LEU 30 41.444 -27.019 -1.804 187 HD13 LEU 30 HD13 LEU 30 41.533 -28.675 -2.402 188 HD21 LEU 30 HD21 LEU 30 44.126 -28.504 -2.774 189 HD22 LEU 30 HD22 LEU 30 43.843 -27.018 -1.868 190 HD23 LEU 30 HD23 LEU 30 44.715 -26.965 -3.400 191 H ILE 31 HN ILE 31 41.387 -25.069 -5.025 192 HA ILE 31 HA ILE 31 38.703 -25.735 -4.326 193 HB ILE 31 HB ILE 31 40.327 -23.214 -4.262 194 HG12 ILE 31 HG12 ILE 31 38.718 -24.624 -2.123 195 HG13 ILE 31 HG11 ILE 31 40.394 -25.038 -2.487 196 HG21 ILE 31 HG21 ILE 31 38.189 -22.236 -3.165 197 HG22 ILE 31 HG22 ILE 31 37.335 -23.501 -4.047 198 HG23 ILE 31 HG23 ILE 31 38.262 -22.285 -4.926 199 HD11 ILE 31 HD11 ILE 31 41.191 -22.921 -1.814 200 HD12 ILE 31 HD12 ILE 31 39.967 -23.309 -0.605 201 HD13 ILE 31 HD13 ILE 31 39.591 -22.189 -1.914 202 HA PRO 32 HA PRO 32 37.782 -22.909 -8.224 203 HB2 PRO 32 HB2 PRO 32 39.767 -24.073 -10.092 204 HB3 PRO 32 HB1 PRO 32 39.283 -22.382 -9.870 205 HG2 PRO 32 HG2 PRO 32 41.654 -23.297 -9.046 206 HG3 PRO 32 HG1 PRO 32 40.770 -22.039 -8.165 207 HD2 PRO 32 HD2 PRO 32 41.073 -24.944 -7.504 208 HD3 PRO 32 HD1 PRO 32 41.009 -23.541 -6.419 209 H ALA 33 HN ALA 33 39.216 -26.116 -8.869 210 HA ALA 33 HA ALA 33 37.537 -27.082 -10.804 211 HB1 ALA 33 HB1 ALA 33 38.925 -28.393 -8.494 212 HB2 ALA 33 HB2 ALA 33 39.227 -28.564 -10.224 213 HB3 ALA 33 HB3 ALA 33 37.823 -29.342 -9.492 214 H ILE 34 HN ILE 34 37.013 -27.827 -7.350 215 HA ILE 34 HA ILE 34 34.457 -28.829 -7.530 216 HB ILE 34 HB ILE 34 35.935 -27.357 -5.383 217 HG12 ILE 34 HG12 ILE 34 36.022 -29.904 -6.115 218 HG13 ILE 34 HG11 ILE 34 36.081 -29.460 -4.411 219 HG21 ILE 34 HG21 ILE 34 32.982 -27.985 -5.423 220 HG22 ILE 34 HG22 ILE 34 33.785 -26.499 -4.916 221 HG23 ILE 34 HG23 ILE 34 33.886 -27.942 -3.908 222 HD11 ILE 34 HD11 ILE 34 33.818 -30.038 -4.059 223 HD12 ILE 34 HD12 ILE 34 34.416 -31.317 -5.115 224 HD13 ILE 34 HD13 ILE 34 33.448 -30.003 -5.783 225 H TYR 35 HN TYR 35 35.320 -25.430 -6.861 226 HA TYR 35 HA TYR 35 32.871 -24.252 -6.721 227 HB2 TYR 35 HB2 TYR 35 35.533 -23.401 -7.464 228 HB3 TYR 35 HB1 TYR 35 34.320 -22.551 -8.421 229 HD1 TYR 35 HD1 TYR 35 35.153 -23.524 -4.907 230 HD2 TYR 35 HD2 TYR 35 33.100 -20.771 -7.485 231 HE1 TYR 35 HE1 TYR 35 34.608 -22.099 -2.951 232 HE2 TYR 35 HE2 TYR 35 32.554 -19.346 -5.529 233 HH TYR 35 HH TYR 35 33.975 -19.234 -2.886 234 H MET 36 HN MET 36 34.660 -24.478 -9.803 235 HA MET 36 HA MET 36 32.716 -23.713 -11.556 236 HB2 MET 36 HB2 MET 36 35.057 -25.496 -11.705 237 HB3 MET 36 HB1 MET 36 33.843 -25.761 -12.956 238 HG2 MET 36 HG2 MET 36 35.586 -24.053 -13.575 239 HG3 MET 36 HG1 MET 36 33.933 -23.439 -13.627 240 HE1 MET 36 HE1 MET 36 34.483 -20.972 -13.478 241 HE2 MET 36 HE2 MET 36 34.223 -20.317 -11.863 242 HE3 MET 36 HE3 MET 36 33.107 -21.518 -12.510 243 H LEU 37 HN LEU 37 33.342 -27.152 -10.824 244 HA LEU 37 HA LEU 37 31.088 -28.210 -12.034 245 HB2 LEU 37 HB2 LEU 37 33.062 -29.459 -11.020 246 HB3 LEU 37 HB1 LEU 37 32.245 -29.292 -9.466 247 HG LEU 37 HG LEU 37 30.226 -30.195 -11.140 248 HD11 LEU 37 HD11 LEU 37 31.935 -30.655 -12.889 249 HD12 LEU 37 HD12 LEU 37 31.166 -32.133 -12.312 250 HD13 LEU 37 HD13 LEU 37 32.785 -31.707 -11.756 251 HD21 LEU 37 HD21 LEU 37 32.108 -31.778 -9.358 252 HD22 LEU 37 HD22 LEU 37 30.522 -32.328 -9.899 253 HD23 LEU 37 HD23 LEU 37 30.654 -30.930 -8.834 254 H VAL 38 HN VAL 38 31.349 -26.488 -9.023 255 HA VAL 38 HA VAL 38 28.558 -27.179 -8.344 256 HB VAL 38 HB VAL 38 30.733 -25.922 -6.654 257 HG11 VAL 38 HG11 VAL 38 28.861 -25.105 -5.601 258 HG12 VAL 38 HG12 VAL 38 28.847 -26.726 -4.906 259 HG13 VAL 38 HG13 VAL 38 27.809 -26.347 -6.281 260 HG21 VAL 38 HG21 VAL 38 30.637 -28.086 -5.447 261 HG22 VAL 38 HG22 VAL 38 31.102 -28.312 -7.134 262 HG23 VAL 38 HG23 VAL 38 29.456 -28.677 -6.617 263 H PHE 39 HN PHE 39 30.005 -24.982 -10.171 264 HA PHE 39 HA PHE 39 28.359 -22.719 -9.203 265 HB2 PHE 39 HB2 PHE 39 30.864 -22.384 -9.302 266 HB3 PHE 39 HB1 PHE 39 30.742 -22.555 -11.052 267 HD1 PHE 39 HD2 PHE 39 29.256 -20.642 -8.193 268 HD2 PHE 39 HD1 PHE 39 30.262 -20.678 -12.370 269 HE1 PHE 39 HE2 PHE 39 28.582 -18.262 -8.377 270 HE2 PHE 39 HE1 PHE 39 29.587 -18.298 -12.553 271 HZ PHE 39 HZ PHE 39 28.748 -17.090 -10.556 272 H LEU 40 HN LEU 40 29.046 -24.862 -11.849 273 HA LEU 40 HA LEU 40 27.260 -23.329 -13.623 274 HB2 LEU 40 HB2 LEU 40 28.131 -24.789 -15.415 275 HB3 LEU 40 HB1 LEU 40 29.428 -23.929 -14.583 276 HG LEU 40 HG LEU 40 29.179 -26.229 -13.074 277 HD11 LEU 40 HD11 LEU 40 28.851 -26.943 -16.007 278 HD12 LEU 40 HD12 LEU 40 27.637 -27.192 -14.753 279 HD13 LEU 40 HD13 LEU 40 29.156 -28.085 -14.698 280 HD21 LEU 40 HD21 LEU 40 30.969 -25.747 -15.481 281 HD22 LEU 40 HD22 LEU 40 31.290 -26.893 -14.179 282 HD23 LEU 40 HD23 LEU 40 31.276 -25.161 -13.847 283 H LEU 41 HN LEU 41 26.990 -25.640 -11.345 284 HA LEU 41 HA LEU 41 25.072 -27.294 -12.845 285 HB2 LEU 41 HB2 LEU 41 26.871 -27.751 -10.597 286 HB3 LEU 41 HB1 LEU 41 25.236 -28.322 -10.274 287 HG LEU 41 HG LEU 41 26.776 -28.980 -12.801 288 HD11 LEU 41 HD11 LEU 41 27.024 -30.043 -10.122 289 HD12 LEU 41 HD12 LEU 41 27.936 -30.464 -11.571 290 HD13 LEU 41 HD13 LEU 41 26.416 -31.284 -11.218 291 HD21 LEU 41 HD21 LEU 41 24.736 -30.859 -12.035 292 HD22 LEU 41 HD22 LEU 41 24.827 -29.876 -13.497 293 HD23 LEU 41 HD23 LEU 41 24.040 -29.239 -12.054 294 H GLY 42 HN GLY 42 25.249 -25.872 -9.561 295 HA2 GLY 42 HA2 GLY 42 22.315 -25.649 -9.585 296 HA3 GLY 42 HA1 GLY 42 23.337 -25.607 -8.155 297 H THR 43 HN THR 43 24.701 -23.715 -10.579 298 HA THR 43 HA THR 43 23.312 -21.282 -9.631 299 HB THR 43 HB THR 43 26.104 -20.788 -10.226 300 HG1 THR 43 HG1 THR 43 26.145 -23.003 -9.410 301 HG21 THR 43 HG21 THR 43 25.993 -19.638 -8.104 302 HG22 THR 43 HG22 THR 43 24.540 -20.525 -7.647 303 HG23 THR 43 HG23 THR 43 24.478 -19.346 -8.958 304 H THR 44 HN THR 44 23.066 -22.899 -12.093 305 HA THR 44 HA THR 44 23.585 -20.721 -14.007 306 HB THR 44 HB THR 44 24.435 -23.588 -14.227 307 HG1 THR 44 HG1 THR 44 26.163 -22.350 -15.341 308 HG21 THR 44 HG21 THR 44 24.713 -23.006 -16.742 309 HG22 THR 44 HG22 THR 44 23.477 -21.784 -16.443 310 HG23 THR 44 HG23 THR 44 23.115 -23.490 -16.174 311 H GLY 45 HN GLY 45 21.939 -23.823 -13.439 312 HA2 GLY 45 HA2 GLY 45 19.772 -22.984 -15.249 313 HA3 GLY 45 HA1 GLY 45 20.052 -24.624 -14.671 314 H ASN 46 HN ASN 46 20.568 -22.889 -12.011 315 HA ASN 46 HA ASN 46 17.892 -23.396 -10.977 316 HB2 ASN 46 HB2 ASN 46 18.958 -23.727 -9.034 317 HB3 ASN 46 HB1 ASN 46 20.477 -23.498 -9.900 318 HD21 ASN 46 HD21 ASN 46 21.327 -21.211 -9.989 319 HD22 ASN 46 HD22 ASN 46 20.923 -20.139 -8.737 320 H GLY 47 HN GLY 47 20.144 -20.644 -11.222 321 HA2 GLY 47 HA2 GLY 47 18.355 -18.707 -10.181 322 HA3 GLY 47 HA1 GLY 47 19.786 -18.370 -11.152 323 H LEU 48 HN LEU 48 19.281 -19.478 -13.544 324 HA LEU 48 HA LEU 48 17.672 -17.657 -14.869 325 HB2 LEU 48 HB2 LEU 48 19.279 -18.983 -16.086 326 HB3 LEU 48 HB1 LEU 48 18.454 -20.476 -15.649 327 HG LEU 48 HG LEU 48 16.527 -19.882 -16.995 328 HD11 LEU 48 HD11 LEU 48 17.928 -17.218 -17.159 329 HD12 LEU 48 HD12 LEU 48 16.250 -17.559 -16.733 330 HD13 LEU 48 HD13 LEU 48 16.781 -17.706 -18.407 331 HD21 LEU 48 HD21 LEU 48 17.513 -20.387 -18.987 332 HD22 LEU 48 HD22 LEU 48 18.978 -20.508 -18.013 333 HD23 LEU 48 HD23 LEU 48 18.624 -19.021 -18.895 334 H VAL 49 HN VAL 49 16.845 -20.996 -13.922 335 HA VAL 49 HA VAL 49 14.193 -20.970 -14.844 336 HB VAL 49 HB VAL 49 15.627 -22.542 -12.717 337 HG11 VAL 49 HG11 VAL 49 13.417 -23.961 -12.870 338 HG12 VAL 49 HG12 VAL 49 12.690 -22.424 -13.340 339 HG13 VAL 49 HG13 VAL 49 13.489 -22.579 -11.776 340 HG21 VAL 49 HG21 VAL 49 15.847 -22.853 -15.295 341 HG22 VAL 49 HG22 VAL 49 14.226 -23.541 -15.194 342 HG23 VAL 49 HG23 VAL 49 15.556 -24.283 -14.304 343 H LEU 50 HN LEU 50 15.090 -20.931 -11.396 344 HA LEU 50 HA LEU 50 12.733 -20.071 -10.323 345 HB2 LEU 50 HB2 LEU 50 15.516 -19.216 -9.483 346 HB3 LEU 50 HB1 LEU 50 14.070 -19.066 -8.486 347 HG LEU 50 HG LEU 50 15.135 -21.679 -9.604 348 HD11 LEU 50 HD11 LEU 50 16.657 -21.423 -7.936 349 HD12 LEU 50 HD12 LEU 50 15.311 -21.843 -6.876 350 HD13 LEU 50 HD13 LEU 50 15.722 -20.149 -7.151 351 HD21 LEU 50 HD21 LEU 50 12.898 -22.143 -9.238 352 HD22 LEU 50 HD22 LEU 50 12.726 -20.892 -8.008 353 HD23 LEU 50 HD23 LEU 50 13.515 -22.418 -7.610 354 H TRP 51 HN TRP 51 15.065 -18.181 -12.111 355 HA TRP 51 HA TRP 51 13.930 -15.624 -11.420 356 HB2 TRP 51 HB2 TRP 51 16.256 -15.707 -12.056 357 HB3 TRP 51 HB1 TRP 51 15.856 -16.477 -13.592 358 HD1 TRP 51 HD1 TRP 51 15.826 -13.128 -11.809 359 HE1 TRP 51 HE1 TRP 51 15.300 -11.269 -13.515 360 HE3 TRP 51 HE3 TRP 51 14.600 -15.973 -15.869 361 HZ2 TRP 51 HZ2 TRP 51 14.468 -11.019 -16.240 362 HZ3 TRP 51 HZ3 TRP 51 13.944 -14.900 -18.004 363 HH2 TRP 51 HH2 TRP 51 13.878 -12.429 -18.195 364 H THR 52 HN THR 52 13.837 -17.745 -14.277 365 HA THR 52 HA THR 52 12.165 -16.115 -15.856 366 HB THR 52 HB THR 52 12.616 -19.103 -15.835 367 HG1 THR 52 HG1 THR 52 13.502 -16.968 -17.477 368 HG21 THR 52 HG21 THR 52 10.500 -18.884 -16.858 369 HG22 THR 52 HG22 THR 52 11.630 -18.863 -18.212 370 HG23 THR 52 HG23 THR 52 10.933 -17.354 -17.622 371 H VAL 53 HN VAL 53 11.368 -18.918 -13.798 372 HA VAL 53 HA VAL 53 8.619 -18.955 -14.149 373 HB VAL 53 HB VAL 53 10.389 -19.678 -11.828 374 HG11 VAL 53 HG11 VAL 53 7.380 -19.548 -11.927 375 HG12 VAL 53 HG12 VAL 53 8.465 -19.043 -10.631 376 HG13 VAL 53 HG13 VAL 53 8.192 -20.760 -10.936 377 HG21 VAL 53 HG21 VAL 53 9.825 -20.969 -14.139 378 HG22 VAL 53 HG22 VAL 53 8.489 -21.550 -13.146 379 HG23 VAL 53 HG23 VAL 53 10.153 -21.818 -12.627 380 H PHE 54 HN PHE 54 10.453 -17.186 -11.646 381 HA PHE 54 HA PHE 54 8.319 -15.922 -10.392 382 HB2 PHE 54 HB2 PHE 54 11.203 -15.547 -10.559 383 HB3 PHE 54 HB1 PHE 54 10.343 -14.015 -10.395 384 HD1 PHE 54 HD2 PHE 54 10.585 -17.447 -8.936 385 HD2 PHE 54 HD1 PHE 54 9.459 -13.349 -8.312 386 HE1 PHE 54 HE2 PHE 54 10.203 -17.917 -6.531 387 HE2 PHE 54 HE1 PHE 54 9.076 -13.820 -5.908 388 HZ PHE 54 HZ PHE 54 9.448 -16.104 -5.017 389 H ARG 55 HN ARG 55 9.875 -15.220 -13.445 390 HA ARG 55 HA ARG 55 8.576 -12.655 -13.779 391 HB2 ARG 55 HB2 ARG 55 10.748 -13.986 -14.987 392 HB3 ARG 55 HB1 ARG 55 9.524 -13.824 -16.242 393 HG2 ARG 55 HG2 ARG 55 10.908 -11.831 -16.267 394 HG3 ARG 55 HG1 ARG 55 9.306 -11.402 -15.676 395 HD2 ARG 55 HD2 ARG 55 11.743 -10.877 -14.410 396 HD3 ARG 55 HD1 ARG 55 10.139 -10.704 -13.705 397 HE ARG 55 HE ARG 55 10.612 -13.304 -13.266 398 HH11 ARG 55 HH21 ARG 55 12.597 -10.496 -12.861 399 HH12 ARG 55 HH22 ARG 55 13.529 -11.178 -11.573 400 HH21 ARG 55 HH11 ARG 55 11.839 -14.202 -11.584 401 HH22 ARG 55 HH12 ARG 55 13.100 -13.272 -10.847 402 H LYS 56 HN LYS 56 7.794 -15.949 -14.292 403 HA LYS 56 HA LYS 56 5.636 -15.259 -16.174 404 HB2 LYS 56 HB2 LYS 56 5.934 -17.287 -17.112 405 HB3 LYS 56 HB1 LYS 56 7.447 -17.338 -16.212 406 HG2 LYS 56 HG2 LYS 56 6.182 -18.405 -14.299 407 HG3 LYS 56 HG1 LYS 56 4.779 -18.515 -15.368 408 HD2 LYS 56 HD2 LYS 56 5.958 -19.940 -16.900 409 HD3 LYS 56 HD1 LYS 56 7.489 -19.670 -16.068 410 HE2 LYS 56 HE2 LYS 56 6.475 -20.715 -14.014 411 HE3 LYS 56 HE1 LYS 56 5.061 -21.127 -14.986 412 HZ1 LYS 56 HZ1 LYS 56 6.450 -23.002 -15.033 413 HZ2 LYS 56 HZ2 LYS 56 7.845 -22.077 -15.323 414 HZ3 LYS 56 HZ3 LYS 56 6.670 -22.252 -16.538 415 H LYS 57 HN LYS 57 6.268 -16.038 -12.915 416 HA LYS 57 HA LYS 57 3.430 -16.686 -12.423 417 HB2 LYS 57 HB2 LYS 57 5.061 -18.365 -11.628 418 HB3 LYS 57 HB1 LYS 57 5.844 -17.126 -10.648 419 HG2 LYS 57 HG2 LYS 57 2.945 -17.261 -10.215 420 HG3 LYS 57 HG1 LYS 57 3.778 -18.760 -9.803 421 HD2 LYS 57 HD2 LYS 57 5.326 -17.547 -8.355 422 HD3 LYS 57 HD1 LYS 57 4.594 -16.011 -8.820 423 HE2 LYS 57 HE2 LYS 57 3.817 -17.673 -6.686 424 HE3 LYS 57 HE1 LYS 57 2.957 -16.260 -7.294 425 HZ1 LYS 57 HZ1 LYS 57 1.765 -17.639 -8.831 426 HZ2 LYS 57 HZ2 LYS 57 1.590 -18.287 -7.270 427 HZ3 LYS 57 HZ3 LYS 57 2.659 -19.008 -8.377 428 H GLY 58 HN GLY 58 5.770 -14.259 -12.168 429 HA2 GLY 58 HA2 GLY 58 4.658 -12.954 -9.824 430 HA3 GLY 58 HA1 GLY 58 5.953 -12.345 -10.849 431 H HIS 59 HN HIS 59 4.415 -12.731 -13.318 432 HA HIS 59 HA HIS 59 3.258 -10.191 -13.563 433 HB2 HIS 59 HB2 HIS 59 3.378 -12.649 -15.204 434 HB3 HIS 59 HB1 HIS 59 2.042 -11.555 -15.563 435 HD2 HIS 59 HD2 HIS 59 3.422 -8.659 -15.381 436 HE1 HIS 59 HE1 HIS 59 6.482 -10.206 -17.845 437 HE2 HIS 59 HE2 HIS 59 5.421 -8.076 -16.958 438 H HIS 60 HN HIS 60 2.059 -12.957 -12.034 439 HA HIS 60 HA HIS 60 -0.602 -11.718 -11.838 440 HB2 HIS 60 HB2 HIS 60 0.041 -14.454 -12.846 441 HB3 HIS 60 HB1 HIS 60 -1.403 -14.247 -11.853 442 HD2 HIS 60 HD2 HIS 60 -0.570 -14.037 -15.497 443 HE1 HIS 60 HE1 HIS 60 -3.711 -11.263 -14.981 444 HE2 HIS 60 HE2 HIS 60 -2.352 -12.551 -16.696 445 H HIS 61 HN HIS 61 0.140 -11.050 -9.749 446 HA HIS 61 HA HIS 61 0.614 -13.197 -7.796 447 HB2 HIS 61 HB2 HIS 61 2.239 -11.555 -7.482 448 HB3 HIS 61 HB1 HIS 61 1.118 -10.239 -7.827 449 HD2 HIS 61 HD2 HIS 61 0.482 -8.966 -5.473 450 HE1 HIS 61 HE1 HIS 61 0.632 -12.310 -2.899 451 HE2 HIS 61 HE2 HIS 61 0.196 -9.810 -3.018 452 H HIS 62 HN HIS 62 -0.902 -10.058 -7.232 453 HA HIS 62 HA HIS 62 -3.471 -11.336 -6.640 454 HB2 HIS 62 HB2 HIS 62 -1.945 -11.273 -4.553 455 HB3 HIS 62 HB1 HIS 62 -2.223 -9.531 -4.579 456 HD2 HIS 62 HD2 HIS 62 -4.080 -9.362 -2.490 457 HE1 HIS 62 HE1 HIS 62 -6.859 -12.139 -4.033 458 HE2 HIS 62 HE2 HIS 62 -6.447 -10.428 -2.204 459 H HIS 63 HN HIS 63 -4.667 -10.180 -8.052 460 HA HIS 63 HA HIS 63 -5.617 -8.384 -9.132 461 HB2 HIS 63 HB2 HIS 63 -6.265 -8.193 -6.590 462 HB3 HIS 63 HB1 HIS 63 -5.224 -6.771 -6.641 463 HD2 HIS 63 HD2 HIS 63 -6.391 -4.539 -7.837 464 HE1 HIS 63 HE1 HIS 63 -9.819 -6.467 -9.373 465 HE2 HIS 63 HE2 HIS 63 -8.683 -4.219 -9.045 466 H HIS 64 HN HIS 64 -2.853 -8.636 -9.557 467 HA HIS 64 HA HIS 64 -0.946 -7.461 -10.128 468 HB2 HIS 64 HB2 HIS 64 -2.564 -6.986 -11.967 469 HB3 HIS 64 HB1 HIS 64 -3.036 -5.511 -11.123 470 HD2 HIS 64 HD2 HIS 64 0.217 -6.967 -12.871 471 HE1 HIS 64 HE1 HIS 64 0.605 -2.777 -12.532 472 HE2 HIS 64 HE2 HIS 64 1.674 -4.883 -13.464 Start of MODEL 24 1 H1 MET 1 HT1 MET 1 52.700 4.198 -18.618 2 H2 MET 1 HT2 MET 1 51.241 4.292 -19.484 3 H3 MET 1 HT3 MET 1 52.245 2.932 -19.651 4 HA MET 1 HA MET 1 51.200 1.918 -18.008 5 HB2 MET 1 HB2 MET 1 52.042 4.400 -16.491 6 HB3 MET 1 HB1 MET 1 51.265 3.018 -15.717 7 HG2 MET 1 HG2 MET 1 53.719 2.671 -17.438 8 HG3 MET 1 HG1 MET 1 53.850 3.075 -15.727 9 HE1 MET 1 HE1 MET 1 55.324 1.246 -16.171 10 HE2 MET 1 HE2 MET 1 54.891 -0.361 -16.750 11 HE3 MET 1 HE3 MET 1 54.926 -0.036 -15.019 12 H GLU 2 HN GLU 2 49.090 1.683 -18.453 13 HA GLU 2 HA GLU 2 47.242 3.781 -17.542 14 HB2 GLU 2 HB2 GLU 2 45.874 3.349 -19.643 15 HB3 GLU 2 HB1 GLU 2 47.367 4.261 -19.873 16 HG2 GLU 2 HG2 GLU 2 48.445 2.505 -20.926 17 HG3 GLU 2 HG1 GLU 2 47.483 1.281 -20.098 18 H GLU 3 HN GLU 3 45.241 3.023 -16.855 19 HA GLU 3 HA GLU 3 44.305 0.377 -17.261 20 HB2 GLU 3 HB2 GLU 3 46.339 0.113 -15.662 21 HB3 GLU 3 HB1 GLU 3 45.262 0.797 -14.444 22 HG2 GLU 3 HG2 GLU 3 44.948 -1.548 -14.268 23 HG3 GLU 3 HG1 GLU 3 43.561 -0.979 -15.194 24 H GLY 4 HN GLY 4 42.230 0.097 -16.465 25 HA2 GLY 4 HA2 GLY 4 40.844 2.516 -15.717 26 HA3 GLY 4 HA1 GLY 4 40.120 0.932 -15.977 27 H GLY 5 HN GLY 5 39.112 0.257 -14.200 28 HA2 GLY 5 HA2 GLY 5 38.746 -0.359 -12.011 29 HA3 GLY 5 HA1 GLY 5 40.469 -0.130 -11.728 30 H ASP 6 HN ASP 6 38.282 0.602 -9.971 31 HA ASP 6 HA ASP 6 38.997 3.411 -9.587 32 HB2 ASP 6 HB2 ASP 6 36.779 3.085 -10.967 33 HB3 ASP 6 HB1 ASP 6 36.094 2.714 -9.385 34 H PHE 7 HN PHE 7 39.817 1.165 -8.143 35 HA PHE 7 HA PHE 7 38.749 1.838 -5.515 36 HB2 PHE 7 HB2 PHE 7 38.654 -0.971 -6.636 37 HB3 PHE 7 HB1 PHE 7 38.418 -0.567 -4.935 38 HD1 PHE 7 HD2 PHE 7 36.442 0.697 -4.197 39 HD2 PHE 7 HD1 PHE 7 36.981 -0.413 -8.311 40 HE1 PHE 7 HE2 PHE 7 34.061 1.220 -4.650 41 HE2 PHE 7 HE1 PHE 7 34.600 0.111 -8.764 42 HZ PHE 7 HZ PHE 7 33.140 0.927 -6.933 43 H ASP 8 HN ASP 8 40.985 2.739 -5.621 44 HA ASP 8 HA ASP 8 43.272 2.626 -5.272 45 HB2 ASP 8 HB2 ASP 8 43.805 1.648 -3.198 46 HB3 ASP 8 HB1 ASP 8 42.098 2.063 -3.052 47 H ASN 9 HN ASN 9 42.079 0.692 -7.291 48 HA ASN 9 HA ASN 9 43.416 -1.772 -7.216 49 HB2 ASN 9 HB2 ASN 9 42.550 -0.103 -9.588 50 HB3 ASN 9 HB1 ASN 9 43.078 -1.783 -9.686 51 HD21 ASN 9 HD21 ASN 9 41.828 -3.090 -7.673 52 HD22 ASN 9 HD22 ASN 9 40.145 -2.891 -7.740 53 H TYR 10 HN TYR 10 45.112 -2.373 -8.939 54 HA TYR 10 HA TYR 10 47.396 -2.308 -9.313 55 HB2 TYR 10 HB2 TYR 10 46.360 -1.025 -11.212 56 HB3 TYR 10 HB1 TYR 10 46.698 0.458 -10.319 57 HD1 TYR 10 HD2 TYR 10 48.352 -2.622 -11.655 58 HD2 TYR 10 HD1 TYR 10 48.810 1.482 -10.471 59 HE1 TYR 10 HE2 TYR 10 50.680 -2.634 -12.510 60 HE2 TYR 10 HE1 TYR 10 51.137 1.469 -11.327 61 HH TYR 10 HH TYR 10 52.637 -1.504 -12.525 62 H TYR 11 HN TYR 11 46.579 -1.415 -6.681 63 HA TYR 11 HA TYR 11 49.043 -0.369 -5.756 64 HB2 TYR 11 HB2 TYR 11 47.802 1.681 -6.817 65 HB3 TYR 11 HB1 TYR 11 46.828 1.614 -5.349 66 HD1 TYR 11 HD2 TYR 11 50.366 1.729 -6.550 67 HD2 TYR 11 HD1 TYR 11 47.635 2.519 -3.329 68 HE1 TYR 11 HE2 TYR 11 52.177 2.864 -5.292 69 HE2 TYR 11 HE1 TYR 11 49.447 3.655 -2.072 70 HH TYR 11 HH TYR 11 52.177 3.406 -2.158 71 H GLY 12 HN GLY 12 47.359 -2.541 -5.142 72 HA2 GLY 12 HA2 GLY 12 47.451 -2.903 -2.506 73 HA3 GLY 12 HA1 GLY 12 46.012 -1.896 -2.632 74 H ALA 13 HN ALA 13 46.920 -4.166 -5.126 75 HA ALA 13 HA ALA 13 44.729 -5.970 -4.285 76 HB1 ALA 13 HB1 ALA 13 44.066 -4.514 -6.203 77 HB2 ALA 13 HB2 ALA 13 44.070 -6.232 -6.601 78 HB3 ALA 13 HB3 ALA 13 45.396 -5.201 -7.136 79 H ASP 14 HN ASP 14 47.892 -5.562 -5.697 80 HA ASP 14 HA ASP 14 48.176 -8.454 -6.116 81 HB2 ASP 14 HB2 ASP 14 49.904 -6.086 -6.845 82 HB3 ASP 14 HB1 ASP 14 50.430 -7.756 -7.050 83 H ASN 15 HN ASN 15 49.060 -5.924 -3.928 84 HA ASN 15 HA ASN 15 51.362 -6.998 -2.747 85 HB2 ASN 15 HB2 ASN 15 49.196 -5.150 -1.829 86 HB3 ASN 15 HB1 ASN 15 50.351 -5.766 -0.648 87 HD21 ASN 15 HD21 ASN 15 49.883 -3.392 -3.086 88 HD22 ASN 15 HD22 ASN 15 51.489 -2.848 -3.177 89 H GLN 16 HN GLN 16 47.992 -7.841 -2.408 90 HA GLN 16 HA GLN 16 48.636 -9.713 -0.224 91 HB2 GLN 16 HB2 GLN 16 46.303 -9.778 0.260 92 HB3 GLN 16 HB1 GLN 16 46.701 -8.081 -0.011 93 HG2 GLN 16 HG2 GLN 16 46.062 -8.595 -2.496 94 HG3 GLN 16 HG1 GLN 16 45.217 -9.980 -1.808 95 HE21 GLN 16 HE21 GLN 16 44.216 -7.308 -3.021 96 HE22 GLN 16 HE22 GLN 16 43.135 -6.723 -1.849 97 H SER 17 HN SER 17 49.251 -10.026 -3.155 98 HA SER 17 HA SER 17 47.900 -12.631 -3.525 99 HB2 SER 17 HB2 SER 17 47.431 -12.206 -5.735 100 HB3 SER 17 HB1 SER 17 47.295 -10.569 -5.099 101 HG SER 17 HG SER 17 49.546 -11.772 -6.346 102 H GLU 18 HN GLU 18 50.751 -10.633 -4.162 103 HA GLU 18 HA GLU 18 52.371 -12.521 -5.418 104 HB2 GLU 18 HB2 GLU 18 54.150 -11.087 -4.993 105 HB3 GLU 18 HB1 GLU 18 52.774 -9.990 -4.871 106 HG2 GLU 18 HG2 GLU 18 52.776 -10.642 -2.349 107 HG3 GLU 18 HG1 GLU 18 54.418 -11.201 -2.658 108 H CYS 19 HN CYS 19 51.268 -12.377 -2.162 109 HA CYS 19 HA CYS 19 53.364 -14.109 -1.124 110 HB2 CYS 19 HB2 CYS 19 50.866 -12.910 0.078 111 HB3 CYS 19 HB1 CYS 19 51.888 -14.054 0.950 112 HG CYS 19 HG CYS 19 53.288 -12.092 1.512 113 H GLU 20 HN GLU 20 50.058 -14.337 -2.270 114 HA GLU 20 HA GLU 20 49.857 -17.139 -1.453 115 HB2 GLU 20 HB2 GLU 20 47.844 -15.915 -1.120 116 HB3 GLU 20 HB1 GLU 20 47.925 -15.202 -2.730 117 HG2 GLU 20 HG2 GLU 20 47.336 -17.215 -3.791 118 HG3 GLU 20 HG1 GLU 20 47.775 -18.190 -2.390 119 H TYR 21 HN TYR 21 50.709 -15.244 -4.188 120 HA TYR 21 HA TYR 21 49.995 -16.801 -6.357 121 HB2 TYR 21 HB2 TYR 21 51.059 -14.744 -6.820 122 HB3 TYR 21 HB1 TYR 21 52.452 -15.142 -5.814 123 HD1 TYR 21 HD2 TYR 21 50.747 -15.822 -9.022 124 HD2 TYR 21 HD1 TYR 21 54.227 -16.578 -6.620 125 HE1 TYR 21 HE2 TYR 21 51.892 -16.805 -10.990 126 HE2 TYR 21 HE1 TYR 21 55.372 -17.561 -8.589 127 HH TYR 21 HH TYR 21 54.560 -17.079 -11.615 128 H THR 22 HN THR 22 52.536 -17.334 -3.992 129 HA THR 22 HA THR 22 53.728 -19.530 -5.446 130 HB THR 22 HB THR 22 54.952 -19.861 -3.234 131 HG1 THR 22 HG1 THR 22 54.711 -18.163 -1.766 132 HG21 THR 22 HG21 THR 22 55.844 -18.546 -5.148 133 HG22 THR 22 HG22 THR 22 56.360 -17.898 -3.592 134 HG23 THR 22 HG23 THR 22 55.067 -17.106 -4.491 135 H ASP 23 HN ASP 23 51.028 -19.124 -3.413 136 HA ASP 23 HA ASP 23 51.011 -21.951 -2.602 137 HB2 ASP 23 HB2 ASP 23 49.954 -19.487 -1.495 138 HB3 ASP 23 HB1 ASP 23 48.697 -20.714 -1.638 139 H TRP 24 HN TRP 24 48.791 -19.565 -4.066 140 HA TRP 24 HA TRP 24 46.708 -21.152 -4.818 141 HB2 TRP 24 HB2 TRP 24 46.271 -19.040 -5.528 142 HB3 TRP 24 HB1 TRP 24 47.957 -18.719 -5.935 143 HD1 TRP 24 HD1 TRP 24 44.798 -20.372 -7.341 144 HE1 TRP 24 HE1 TRP 24 45.046 -20.576 -9.899 145 HE3 TRP 24 HE3 TRP 24 49.632 -18.816 -7.885 146 HZ2 TRP 24 HZ2 TRP 24 47.033 -20.136 -11.910 147 HZ3 TRP 24 HZ3 TRP 24 50.675 -18.718 -10.130 148 HH2 TRP 24 HH2 TRP 24 49.384 -19.376 -12.141 149 H LYS 25 HN LYS 25 49.780 -20.777 -6.572 150 HA LYS 25 HA LYS 25 49.290 -22.257 -8.835 151 HB2 LYS 25 HB2 LYS 25 51.450 -21.074 -8.132 152 HB3 LYS 25 HB1 LYS 25 51.848 -22.557 -7.266 153 HG2 LYS 25 HG2 LYS 25 51.653 -23.852 -9.337 154 HG3 LYS 25 HG1 LYS 25 51.185 -22.398 -10.220 155 HD2 LYS 25 HD2 LYS 25 53.382 -21.369 -9.551 156 HD3 LYS 25 HD1 LYS 25 53.847 -22.930 -8.874 157 HE2 LYS 25 HE2 LYS 25 54.660 -23.352 -10.953 158 HE3 LYS 25 HE1 LYS 25 52.974 -23.658 -11.368 159 HZ1 LYS 25 HZ1 LYS 25 54.053 -22.072 -12.876 160 HZ2 LYS 25 HZ2 LYS 25 54.314 -21.017 -11.570 161 HZ3 LYS 25 HZ3 LYS 25 52.731 -21.387 -12.062 162 H SER 26 HN SER 26 49.815 -23.401 -5.560 163 HA SER 26 HA SER 26 49.693 -26.196 -6.467 164 HB2 SER 26 HB2 SER 26 50.630 -24.832 -3.979 165 HB3 SER 26 HB1 SER 26 50.071 -26.499 -3.869 166 HG SER 26 HG SER 26 51.751 -27.138 -4.992 167 H SER 27 HN SER 27 48.076 -23.908 -4.286 168 HA SER 27 HA SER 27 45.920 -25.837 -3.818 169 HB2 SER 27 HB2 SER 27 45.940 -23.061 -2.696 170 HB3 SER 27 HB1 SER 27 45.298 -24.545 -1.995 171 HG SER 27 HG SER 27 47.688 -25.171 -2.124 172 H GLY 28 HN GLY 28 46.330 -24.642 -6.457 173 HA2 GLY 28 HA2 GLY 28 43.702 -23.311 -6.739 174 HA3 GLY 28 HA1 GLY 28 45.120 -22.722 -7.601 175 H ALA 29 HN ALA 29 44.755 -26.125 -7.097 176 HA ALA 29 HA ALA 29 43.829 -26.484 -9.881 177 HB1 ALA 29 HB1 ALA 29 45.992 -28.113 -8.528 178 HB2 ALA 29 HB2 ALA 29 46.296 -26.823 -9.692 179 HB3 ALA 29 HB3 ALA 29 45.430 -28.275 -10.193 180 H LEU 30 HN LEU 30 42.814 -26.775 -6.926 181 HA LEU 30 HA LEU 30 41.361 -29.262 -7.468 182 HB2 LEU 30 HB2 LEU 30 41.694 -29.846 -4.982 183 HB3 LEU 30 HB1 LEU 30 43.040 -30.152 -6.079 184 HG LEU 30 HG LEU 30 43.024 -27.433 -4.960 185 HD11 LEU 30 HD11 LEU 30 42.164 -28.596 -2.994 186 HD12 LEU 30 HD12 LEU 30 43.863 -28.198 -2.735 187 HD13 LEU 30 HD13 LEU 30 43.397 -29.845 -3.159 188 HD21 LEU 30 HD21 LEU 30 45.408 -27.973 -4.647 189 HD22 LEU 30 HD22 LEU 30 44.883 -28.422 -6.270 190 HD23 LEU 30 HD23 LEU 30 45.083 -29.664 -5.034 191 H ILE 31 HN ILE 31 41.732 -26.317 -5.559 192 HA ILE 31 HA ILE 31 39.112 -26.497 -4.387 193 HB ILE 31 HB ILE 31 40.666 -23.938 -4.584 194 HG12 ILE 31 HG12 ILE 31 41.289 -26.392 -2.936 195 HG13 ILE 31 HG11 ILE 31 42.393 -25.428 -3.918 196 HG21 ILE 31 HG21 ILE 31 39.485 -23.358 -2.674 197 HG22 ILE 31 HG22 ILE 31 39.290 -25.035 -2.161 198 HG23 ILE 31 HG23 ILE 31 38.305 -24.396 -3.477 199 HD11 ILE 31 HD11 ILE 31 42.897 -24.613 -1.803 200 HD12 ILE 31 HD12 ILE 31 41.247 -24.828 -1.217 201 HD13 ILE 31 HD13 ILE 31 41.631 -23.485 -2.293 202 HA PRO 32 HA PRO 32 38.063 -23.292 -7.754 203 HB2 PRO 32 HB2 PRO 32 39.633 -23.386 -10.046 204 HB3 PRO 32 HB1 PRO 32 39.803 -22.218 -8.728 205 HG2 PRO 32 HG2 PRO 32 41.544 -24.385 -9.469 206 HG3 PRO 32 HG1 PRO 32 41.807 -23.094 -8.292 207 HD2 PRO 32 HD2 PRO 32 41.112 -25.868 -7.804 208 HD3 PRO 32 HD1 PRO 32 41.528 -24.608 -6.626 209 H ALA 33 HN ALA 33 39.149 -26.489 -8.531 210 HA ALA 33 HA ALA 33 37.715 -26.909 -10.926 211 HB1 ALA 33 HB1 ALA 33 39.186 -28.632 -10.635 212 HB2 ALA 33 HB2 ALA 33 37.784 -29.388 -9.879 213 HB3 ALA 33 HB3 ALA 33 39.016 -28.619 -8.879 214 H ILE 34 HN ILE 34 36.918 -28.051 -7.634 215 HA ILE 34 HA ILE 34 34.281 -28.825 -8.252 216 HB ILE 34 HB ILE 34 35.722 -28.171 -5.700 217 HG12 ILE 34 HG12 ILE 34 34.268 -30.670 -6.607 218 HG13 ILE 34 HG11 ILE 34 35.966 -30.365 -6.970 219 HG21 ILE 34 HG21 ILE 34 32.762 -28.550 -6.132 220 HG22 ILE 34 HG22 ILE 34 33.586 -27.374 -5.109 221 HG23 ILE 34 HG23 ILE 34 33.519 -29.068 -4.626 222 HD11 ILE 34 HD11 ILE 34 35.077 -31.620 -4.704 223 HD12 ILE 34 HD12 ILE 34 35.234 -29.956 -4.145 224 HD13 ILE 34 HD13 ILE 34 36.626 -30.788 -4.837 225 H TYR 35 HN TYR 35 35.548 -25.835 -6.788 226 HA TYR 35 HA TYR 35 33.271 -24.448 -6.234 227 HB2 TYR 35 HB2 TYR 35 35.995 -23.776 -6.843 228 HB3 TYR 35 HB1 TYR 35 34.928 -22.609 -7.618 229 HD1 TYR 35 HD1 TYR 35 32.760 -22.056 -5.997 230 HD2 TYR 35 HD2 TYR 35 36.706 -23.162 -4.708 231 HE1 TYR 35 HE1 TYR 35 32.351 -20.967 -3.806 232 HE2 TYR 35 HE2 TYR 35 36.298 -22.075 -2.521 233 HH TYR 35 HH TYR 35 34.495 -19.985 -1.815 234 H MET 36 HN MET 36 34.791 -24.782 -9.426 235 HA MET 36 HA MET 36 32.817 -23.259 -10.805 236 HB2 MET 36 HB2 MET 36 35.102 -25.017 -11.567 237 HB3 MET 36 HB1 MET 36 33.874 -24.684 -12.788 238 HG2 MET 36 HG2 MET 36 35.873 -23.055 -12.644 239 HG3 MET 36 HG1 MET 36 34.258 -22.353 -12.709 240 HE1 MET 36 HE1 MET 36 34.658 -20.079 -11.635 241 HE2 MET 36 HE2 MET 36 34.163 -20.063 -9.944 242 HE3 MET 36 HE3 MET 36 33.218 -20.971 -11.122 243 H LEU 37 HN LEU 37 33.517 -26.758 -10.807 244 HA LEU 37 HA LEU 37 31.376 -27.672 -12.264 245 HB2 LEU 37 HB2 LEU 37 33.292 -29.014 -11.230 246 HB3 LEU 37 HB1 LEU 37 32.318 -29.068 -9.760 247 HG LEU 37 HG LEU 37 30.462 -29.788 -11.624 248 HD11 LEU 37 HD11 LEU 37 32.252 -29.778 -13.385 249 HD12 LEU 37 HD12 LEU 37 31.478 -31.351 -13.183 250 HD13 LEU 37 HD13 LEU 37 33.075 -31.059 -12.493 251 HD21 LEU 37 HD21 LEU 37 30.898 -30.960 -9.521 252 HD22 LEU 37 HD22 LEU 37 32.428 -31.572 -10.150 253 HD23 LEU 37 HD23 LEU 37 30.904 -32.122 -10.848 254 H VAL 38 HN VAL 38 31.435 -26.667 -8.888 255 HA VAL 38 HA VAL 38 28.693 -27.475 -8.422 256 HB VAL 38 HB VAL 38 30.801 -26.082 -6.798 257 HG11 VAL 38 HG11 VAL 38 27.825 -26.172 -6.339 258 HG12 VAL 38 HG12 VAL 38 28.937 -24.822 -6.117 259 HG13 VAL 38 HG13 VAL 38 28.939 -26.163 -4.971 260 HG21 VAL 38 HG21 VAL 38 30.595 -28.621 -7.055 261 HG22 VAL 38 HG22 VAL 38 29.076 -28.489 -6.167 262 HG23 VAL 38 HG23 VAL 38 30.591 -28.011 -5.400 263 H PHE 39 HN PHE 39 30.422 -24.547 -9.281 264 HA PHE 39 HA PHE 39 28.292 -22.732 -8.719 265 HB2 PHE 39 HB2 PHE 39 30.625 -21.984 -8.916 266 HB3 PHE 39 HB1 PHE 39 30.631 -22.443 -10.618 267 HD1 PHE 39 HD1 PHE 39 29.042 -21.298 -12.216 268 HD2 PHE 39 HD2 PHE 39 29.672 -19.923 -8.196 269 HE1 PHE 39 HE1 PHE 39 28.058 -19.102 -12.813 270 HE2 PHE 39 HE2 PHE 39 28.690 -17.726 -8.793 271 HZ PHE 39 HZ PHE 39 27.883 -17.315 -11.102 272 H LEU 40 HN LEU 40 29.576 -23.888 -11.850 273 HA LEU 40 HA LEU 40 27.439 -22.870 -13.385 274 HB2 LEU 40 HB2 LEU 40 28.269 -24.374 -15.165 275 HB3 LEU 40 HB1 LEU 40 29.574 -23.464 -14.405 276 HG LEU 40 HG LEU 40 29.439 -25.719 -12.823 277 HD11 LEU 40 HD11 LEU 40 28.997 -26.537 -15.713 278 HD12 LEU 40 HD12 LEU 40 27.843 -26.765 -14.399 279 HD13 LEU 40 HD13 LEU 40 29.380 -27.629 -14.382 280 HD21 LEU 40 HD21 LEU 40 31.528 -24.823 -13.549 281 HD22 LEU 40 HD22 LEU 40 31.108 -25.025 -15.250 282 HD23 LEU 40 HD23 LEU 40 31.452 -26.437 -14.253 283 H LEU 41 HN LEU 41 27.285 -25.168 -11.065 284 HA LEU 41 HA LEU 41 25.378 -26.911 -12.448 285 HB2 LEU 41 HB2 LEU 41 27.118 -27.146 -10.129 286 HB3 LEU 41 HB1 LEU 41 25.471 -27.663 -9.767 287 HG LEU 41 HG LEU 41 26.995 -28.596 -12.212 288 HD11 LEU 41 HD11 LEU 41 26.725 -30.730 -10.424 289 HD12 LEU 41 HD12 LEU 41 27.257 -29.380 -9.421 290 HD13 LEU 41 HD13 LEU 41 28.217 -29.877 -10.815 291 HD21 LEU 41 HD21 LEU 41 24.942 -30.337 -11.117 292 HD22 LEU 41 HD22 LEU 41 25.079 -29.668 -12.742 293 HD23 LEU 41 HD23 LEU 41 24.286 -28.739 -11.470 294 H GLY 42 HN GLY 42 25.385 -25.400 -9.215 295 HA2 GLY 42 HA2 GLY 42 22.481 -25.132 -9.340 296 HA3 GLY 42 HA1 GLY 42 23.497 -24.846 -7.931 297 H THR 43 HN THR 43 24.823 -23.365 -10.632 298 HA THR 43 HA THR 43 23.441 -20.808 -10.083 299 HB THR 43 HB THR 43 26.294 -20.625 -10.806 300 HG1 THR 43 HG1 THR 43 26.157 -20.996 -8.172 301 HG21 THR 43 HG21 THR 43 24.599 -19.380 -8.624 302 HG22 THR 43 HG22 THR 43 24.853 -18.693 -10.228 303 HG23 THR 43 HG23 THR 43 26.211 -18.854 -9.113 304 H THR 44 HN THR 44 22.976 -22.708 -12.205 305 HA THR 44 HA THR 44 23.606 -20.959 -14.491 306 HB THR 44 HB THR 44 24.049 -23.939 -14.317 307 HG1 THR 44 HG1 THR 44 25.557 -21.643 -14.607 308 HG21 THR 44 HG21 THR 44 23.493 -22.182 -16.688 309 HG22 THR 44 HG22 THR 44 22.918 -23.816 -16.355 310 HG23 THR 44 HG23 THR 44 24.589 -23.554 -16.852 311 H GLY 45 HN GLY 45 21.770 -23.838 -13.465 312 HA2 GLY 45 HA2 GLY 45 19.564 -23.018 -15.236 313 HA3 GLY 45 HA1 GLY 45 19.776 -24.620 -14.537 314 H ASN 46 HN ASN 46 20.545 -22.877 -12.009 315 HA ASN 46 HA ASN 46 17.929 -23.098 -10.800 316 HB2 ASN 46 HB2 ASN 46 19.194 -23.409 -8.983 317 HB3 ASN 46 HB1 ASN 46 20.643 -22.999 -9.900 318 HD21 ASN 46 HD21 ASN 46 21.366 -20.734 -9.859 319 HD22 ASN 46 HD22 ASN 46 20.805 -19.668 -8.663 320 H GLY 47 HN GLY 47 20.253 -20.426 -11.273 321 HA2 GLY 47 HA2 GLY 47 18.603 -18.351 -10.373 322 HA3 GLY 47 HA1 GLY 47 19.935 -18.160 -11.511 323 H LEU 48 HN LEU 48 19.122 -19.560 -13.689 324 HA LEU 48 HA LEU 48 17.430 -17.808 -15.037 325 HB2 LEU 48 HB2 LEU 48 18.983 -19.455 -16.108 326 HB3 LEU 48 HB1 LEU 48 17.852 -20.736 -15.681 327 HG LEU 48 HG LEU 48 16.074 -19.563 -16.982 328 HD11 LEU 48 HD11 LEU 48 17.237 -17.863 -18.694 329 HD12 LEU 48 HD12 LEU 48 18.297 -17.593 -17.311 330 HD13 LEU 48 HD13 LEU 48 16.562 -17.316 -17.160 331 HD21 LEU 48 HD21 LEU 48 16.780 -21.009 -18.557 332 HD22 LEU 48 HD22 LEU 48 18.447 -20.870 -18.000 333 HD23 LEU 48 HD23 LEU 48 17.817 -19.730 -19.190 334 H VAL 49 HN VAL 49 16.664 -21.024 -13.699 335 HA VAL 49 HA VAL 49 13.935 -21.038 -14.348 336 HB VAL 49 HB VAL 49 15.569 -22.413 -12.231 337 HG11 VAL 49 HG11 VAL 49 13.351 -23.781 -11.957 338 HG12 VAL 49 HG12 VAL 49 12.578 -22.305 -12.535 339 HG13 VAL 49 HG13 VAL 49 13.545 -22.274 -11.061 340 HG21 VAL 49 HG21 VAL 49 14.983 -24.388 -13.572 341 HG22 VAL 49 HG22 VAL 49 15.705 -23.151 -14.601 342 HG23 VAL 49 HG23 VAL 49 13.958 -23.396 -14.609 343 H LEU 50 HN LEU 50 15.208 -20.607 -11.045 344 HA LEU 50 HA LEU 50 12.963 -19.612 -9.833 345 HB2 LEU 50 HB2 LEU 50 15.805 -18.676 -9.363 346 HB3 LEU 50 HB1 LEU 50 14.462 -18.483 -8.238 347 HG LEU 50 HG LEU 50 15.507 -21.144 -9.257 348 HD11 LEU 50 HD11 LEU 50 15.741 -20.027 -6.459 349 HD12 LEU 50 HD12 LEU 50 16.999 -19.786 -7.671 350 HD13 LEU 50 HD13 LEU 50 16.577 -21.418 -7.152 351 HD21 LEU 50 HD21 LEU 50 14.087 -21.792 -7.099 352 HD22 LEU 50 HD22 LEU 50 13.313 -21.620 -8.672 353 HD23 LEU 50 HD23 LEU 50 13.227 -20.307 -7.500 354 H TRP 51 HN TRP 51 15.096 -17.973 -12.056 355 HA TRP 51 HA TRP 51 14.042 -15.338 -11.528 356 HB2 TRP 51 HB2 TRP 51 16.308 -15.513 -12.342 357 HB3 TRP 51 HB1 TRP 51 15.778 -16.432 -13.752 358 HD1 TRP 51 HD1 TRP 51 15.806 -12.914 -12.290 359 HE1 TRP 51 HE1 TRP 51 15.199 -11.234 -14.149 360 HE3 TRP 51 HE3 TRP 51 14.492 -16.151 -16.014 361 HZ2 TRP 51 HZ2 TRP 51 14.277 -11.258 -16.856 362 HZ3 TRP 51 HZ3 TRP 51 13.754 -15.297 -18.221 363 HH2 TRP 51 HH2 TRP 51 13.645 -12.856 -18.645 364 H THR 52 HN THR 52 13.641 -17.801 -14.056 365 HA THR 52 HA THR 52 11.805 -16.275 -15.617 366 HB THR 52 HB THR 52 12.331 -19.254 -15.502 367 HG1 THR 52 HG1 THR 52 13.404 -18.696 -17.502 368 HG21 THR 52 HG21 THR 52 10.178 -19.059 -16.452 369 HG22 THR 52 HG22 THR 52 11.257 -19.090 -17.847 370 HG23 THR 52 HG23 THR 52 10.587 -17.558 -17.283 371 H VAL 53 HN VAL 53 11.329 -19.069 -13.445 372 HA VAL 53 HA VAL 53 8.580 -19.237 -13.490 373 HB VAL 53 HB VAL 53 10.603 -19.755 -11.329 374 HG11 VAL 53 HG11 VAL 53 7.598 -19.757 -11.119 375 HG12 VAL 53 HG12 VAL 53 8.786 -19.151 -9.965 376 HG13 VAL 53 HG13 VAL 53 8.559 -20.888 -10.168 377 HG21 VAL 53 HG21 VAL 53 9.983 -21.201 -13.476 378 HG22 VAL 53 HG22 VAL 53 8.646 -21.724 -12.452 379 HG23 VAL 53 HG23 VAL 53 10.310 -21.977 -11.927 380 H PHE 54 HN PHE 54 10.572 -17.187 -11.363 381 HA PHE 54 HA PHE 54 8.541 -15.987 -9.889 382 HB2 PHE 54 HB2 PHE 54 11.312 -15.237 -10.666 383 HB3 PHE 54 HB1 PHE 54 10.273 -13.942 -10.073 384 HD1 PHE 54 HD2 PHE 54 10.373 -17.570 -9.157 385 HD2 PHE 54 HD1 PHE 54 10.952 -13.514 -7.864 386 HE1 PHE 54 HE2 PHE 54 10.712 -18.359 -6.831 387 HE2 PHE 54 HE1 PHE 54 11.292 -14.304 -5.538 388 HZ PHE 54 HZ PHE 54 11.172 -16.727 -5.021 389 H ARG 55 HN ARG 55 10.049 -14.799 -12.896 390 HA ARG 55 HA ARG 55 8.237 -12.627 -13.226 391 HB2 ARG 55 HB2 ARG 55 10.359 -13.935 -14.837 392 HB3 ARG 55 HB1 ARG 55 9.142 -13.023 -15.732 393 HG2 ARG 55 HG2 ARG 55 9.686 -11.004 -14.673 394 HG3 ARG 55 HG1 ARG 55 10.434 -11.816 -13.297 395 HD2 ARG 55 HD2 ARG 55 11.872 -10.709 -15.294 396 HD3 ARG 55 HD1 ARG 55 12.430 -12.101 -14.374 397 HE ARG 55 HE ARG 55 12.071 -13.437 -16.253 398 HH11 ARG 55 HH21 ARG 55 10.644 -10.305 -16.615 399 HH12 ARG 55 HH22 ARG 55 10.299 -10.504 -18.300 400 HH21 ARG 55 HH11 ARG 55 11.626 -13.703 -18.465 401 HH22 ARG 55 HH12 ARG 55 10.855 -12.429 -19.348 402 H LYS 56 HN LYS 56 8.053 -15.995 -13.858 403 HA LYS 56 HA LYS 56 6.051 -15.877 -15.919 404 HB2 LYS 56 HB2 LYS 56 7.691 -17.803 -15.389 405 HB3 LYS 56 HB1 LYS 56 6.551 -18.235 -14.114 406 HG2 LYS 56 HG2 LYS 56 5.542 -19.432 -15.768 407 HG3 LYS 56 HG1 LYS 56 4.849 -17.870 -16.206 408 HD2 LYS 56 HD2 LYS 56 6.774 -17.481 -17.739 409 HD3 LYS 56 HD1 LYS 56 7.375 -19.094 -17.353 410 HE2 LYS 56 HE2 LYS 56 4.707 -18.437 -18.639 411 HE3 LYS 56 HE1 LYS 56 6.096 -19.176 -19.436 412 HZ1 LYS 56 HZ1 LYS 56 4.853 -21.002 -18.882 413 HZ2 LYS 56 HZ2 LYS 56 4.271 -20.321 -17.438 414 HZ3 LYS 56 HZ3 LYS 56 5.867 -20.897 -17.527 415 H LYS 57 HN LYS 57 6.011 -16.776 -12.468 416 HA LYS 57 HA LYS 57 3.162 -16.931 -12.338 417 HB2 LYS 57 HB2 LYS 57 3.442 -17.510 -10.119 418 HB3 LYS 57 HB1 LYS 57 4.993 -17.996 -10.801 419 HG2 LYS 57 HG2 LYS 57 5.760 -15.585 -10.205 420 HG3 LYS 57 HG1 LYS 57 4.348 -15.568 -9.144 421 HD2 LYS 57 HD2 LYS 57 5.186 -17.778 -8.208 422 HD3 LYS 57 HD1 LYS 57 6.690 -17.471 -9.075 423 HE2 LYS 57 HE2 LYS 57 6.189 -15.064 -7.776 424 HE3 LYS 57 HE1 LYS 57 5.710 -16.280 -6.591 425 HZ1 LYS 57 HZ1 LYS 57 7.865 -16.469 -6.149 426 HZ2 LYS 57 HZ2 LYS 57 8.320 -15.578 -7.523 427 HZ3 LYS 57 HZ3 LYS 57 8.029 -17.247 -7.648 428 H GLY 58 HN GLY 58 5.428 -14.367 -12.212 429 HA2 GLY 58 HA2 GLY 58 3.809 -12.546 -10.666 430 HA3 GLY 58 HA1 GLY 58 5.276 -12.148 -11.556 431 H HIS 59 HN HIS 59 4.267 -13.328 -14.053 432 HA HIS 59 HA HIS 59 3.262 -11.101 -15.333 433 HB2 HIS 59 HB2 HIS 59 3.719 -12.531 -17.006 434 HB3 HIS 59 HB1 HIS 59 3.546 -13.932 -15.948 435 HD2 HIS 59 HD2 HIS 59 0.787 -14.869 -15.702 436 HE1 HIS 59 HE1 HIS 59 -0.522 -12.834 -19.161 437 HE2 HIS 59 HE2 HIS 59 -1.136 -14.606 -17.448 438 H HIS 60 HN HIS 60 1.517 -13.619 -13.600 439 HA HIS 60 HA HIS 60 -1.093 -12.836 -14.435 440 HB2 HIS 60 HB2 HIS 60 -0.542 -15.070 -13.479 441 HB3 HIS 60 HB1 HIS 60 -0.289 -14.300 -11.912 442 HD2 HIS 60 HD2 HIS 60 -3.338 -14.355 -14.500 443 HE1 HIS 60 HE1 HIS 60 -4.836 -14.377 -10.553 444 HE2 HIS 60 HE2 HIS 60 -5.481 -14.425 -13.009 445 H HIS 61 HN HIS 61 -1.315 -13.014 -11.154 446 HA HIS 61 HA HIS 61 -0.801 -10.252 -10.488 447 HB2 HIS 61 HB2 HIS 61 -2.872 -9.877 -11.642 448 HB3 HIS 61 HB1 HIS 61 -3.635 -11.244 -10.832 449 HD2 HIS 61 HD2 HIS 61 -1.536 -8.653 -8.741 450 HE1 HIS 61 HE1 HIS 61 -5.603 -8.196 -7.711 451 HE2 HIS 61 HE2 HIS 61 -3.235 -7.483 -7.140 452 H HIS 62 HN HIS 62 -2.140 -13.392 -9.695 453 HA HIS 62 HA HIS 62 -0.975 -13.377 -7.094 454 HB2 HIS 62 HB2 HIS 62 -3.106 -11.898 -6.904 455 HB3 HIS 62 HB1 HIS 62 -3.978 -13.428 -7.005 456 HD2 HIS 62 HD2 HIS 62 -1.686 -11.498 -4.483 457 HE1 HIS 62 HE1 HIS 62 -2.897 -15.097 -2.638 458 HE2 HIS 62 HE2 HIS 62 -1.717 -12.879 -2.267 459 H HIS 63 HN HIS 63 -0.862 -15.425 -6.256 460 HA HIS 63 HA HIS 63 -0.724 -17.720 -6.474 461 HB2 HIS 63 HB2 HIS 63 -2.871 -18.804 -6.221 462 HB3 HIS 63 HB1 HIS 63 -2.885 -17.304 -5.294 463 HD2 HIS 63 HD2 HIS 63 -4.808 -15.446 -6.111 464 HE1 HIS 63 HE1 HIS 63 -6.141 -17.531 -9.531 465 HE2 HIS 63 HE2 HIS 63 -6.574 -15.527 -8.032 466 H HIS 64 HN HIS 64 -0.203 -16.364 -8.888 467 HA HIS 64 HA HIS 64 -0.209 -16.607 -11.182 468 HB2 HIS 64 HB2 HIS 64 0.407 -18.841 -11.888 469 HB3 HIS 64 HB1 HIS 64 1.186 -18.502 -10.341 470 HD2 HIS 64 HD2 HIS 64 -1.491 -20.924 -11.821 471 HE1 HIS 64 HE1 HIS 64 -1.165 -21.758 -7.696 472 HE2 HIS 64 HE2 HIS 64 -2.168 -22.546 -9.891 Start of MODEL 25 1 H1 MET 1 HT1 MET 1 13.526 -1.952 21.345 2 H2 MET 1 HT2 MET 1 13.098 -0.632 22.326 3 H3 MET 1 HT3 MET 1 13.902 -1.969 22.998 4 HA MET 1 HA MET 1 15.082 0.319 22.136 5 HB2 MET 1 HB2 MET 1 16.204 -2.478 22.473 6 HB3 MET 1 HB1 MET 1 17.185 -1.013 22.399 7 HG2 MET 1 HG2 MET 1 14.954 -0.882 24.323 8 HG3 MET 1 HG1 MET 1 16.183 -2.086 24.715 9 HE1 MET 1 HE1 MET 1 16.293 -0.550 26.910 10 HE2 MET 1 HE2 MET 1 15.285 0.724 26.226 11 HE3 MET 1 HE3 MET 1 16.853 1.129 26.921 12 H GLU 2 HN GLU 2 15.209 1.130 20.134 13 HA GLU 2 HA GLU 2 15.384 -0.651 17.824 14 HB2 GLU 2 HB2 GLU 2 15.445 1.795 16.727 15 HB3 GLU 2 HB1 GLU 2 13.940 1.020 17.223 16 HG2 GLU 2 HG2 GLU 2 15.528 2.716 19.145 17 HG3 GLU 2 HG1 GLU 2 14.366 3.440 18.036 18 H GLU 3 HN GLU 3 17.515 -1.459 18.180 19 HA GLU 3 HA GLU 3 19.839 -0.054 18.626 20 HB2 GLU 3 HB2 GLU 3 20.908 -1.854 17.112 21 HB3 GLU 3 HB1 GLU 3 20.042 -2.396 18.549 22 HG2 GLU 3 HG2 GLU 3 18.149 -3.066 17.299 23 HG3 GLU 3 HG1 GLU 3 18.651 -2.140 15.886 24 H GLY 4 HN GLY 4 21.447 0.851 17.275 25 HA2 GLY 4 HA2 GLY 4 20.879 1.326 14.468 26 HA3 GLY 4 HA1 GLY 4 20.788 2.759 15.488 27 H GLY 5 HN GLY 5 22.805 0.921 13.589 28 HA2 GLY 5 HA2 GLY 5 25.024 2.232 13.374 29 HA3 GLY 5 HA1 GLY 5 25.249 1.704 15.039 30 H ASP 6 HN ASP 6 26.040 -0.298 15.430 31 HA ASP 6 HA ASP 6 27.084 -2.302 15.003 32 HB2 ASP 6 HB2 ASP 6 24.899 -2.514 12.918 33 HB3 ASP 6 HB1 ASP 6 25.874 -3.850 13.527 34 H PHE 7 HN PHE 7 28.288 -0.101 13.790 35 HA PHE 7 HA PHE 7 29.008 -1.017 11.087 36 HB2 PHE 7 HB2 PHE 7 28.363 1.350 11.334 37 HB3 PHE 7 HB1 PHE 7 29.663 1.577 12.505 38 HD1 PHE 7 HD1 PHE 7 28.893 0.821 8.960 39 HD2 PHE 7 HD2 PHE 7 31.964 1.746 11.817 40 HE1 PHE 7 HE1 PHE 7 30.497 1.211 7.109 41 HE2 PHE 7 HE2 PHE 7 33.568 2.136 9.966 42 HZ PHE 7 HZ PHE 7 32.835 1.869 7.612 43 H ASP 8 HN ASP 8 30.743 -2.269 10.899 44 HA ASP 8 HA ASP 8 33.133 -1.670 12.483 45 HB2 ASP 8 HB2 ASP 8 31.565 -3.542 13.512 46 HB3 ASP 8 HB1 ASP 8 32.337 -4.542 12.283 47 H ASN 9 HN ASN 9 31.974 -1.813 9.583 48 HA ASN 9 HA ASN 9 33.302 -3.736 8.083 49 HB2 ASN 9 HB2 ASN 9 32.890 -0.855 7.258 50 HB3 ASN 9 HB1 ASN 9 33.053 -2.253 6.197 51 HD21 ASN 9 HD21 ASN 9 31.200 -3.636 5.919 52 HD22 ASN 9 HD22 ASN 9 29.675 -3.247 6.554 53 H TYR 10 HN TYR 10 35.201 -3.422 6.656 54 HA TYR 10 HA TYR 10 37.453 -3.111 6.383 55 HB2 TYR 10 HB2 TYR 10 36.445 -0.699 6.357 56 HB3 TYR 10 HB1 TYR 10 37.265 -0.545 7.911 57 HD1 TYR 10 HD2 TYR 10 37.813 -1.483 4.338 58 HD2 TYR 10 HD1 TYR 10 39.600 -0.181 8.020 59 HE1 TYR 10 HE2 TYR 10 39.971 -1.130 3.166 60 HE2 TYR 10 HE1 TYR 10 41.758 0.172 6.848 61 HH TYR 10 HH TYR 10 42.031 -0.253 3.335 62 H TYR 11 HN TYR 11 39.319 -3.668 7.415 63 HA TYR 11 HA TYR 11 40.503 -4.694 9.120 64 HB2 TYR 11 HB2 TYR 11 40.709 -2.071 9.345 65 HB3 TYR 11 HB1 TYR 11 39.814 -2.347 10.840 66 HD1 TYR 11 HD2 TYR 11 42.832 -3.457 8.938 67 HD2 TYR 11 HD1 TYR 11 40.902 -3.173 12.765 68 HE1 TYR 11 HE2 TYR 11 44.914 -4.225 10.045 69 HE2 TYR 11 HE1 TYR 11 42.984 -3.941 13.872 70 HH TYR 11 HH TYR 11 45.166 -5.505 12.800 71 H GLY 12 HN GLY 12 37.846 -5.603 9.046 72 HA2 GLY 12 HA2 GLY 12 37.593 -6.716 11.658 73 HA3 GLY 12 HA1 GLY 12 36.364 -5.484 11.387 74 H ALA 13 HN ALA 13 36.232 -6.044 8.500 75 HA ALA 13 HA ALA 13 34.566 -8.468 8.661 76 HB1 ALA 13 HB1 ALA 13 34.452 -5.950 7.099 77 HB2 ALA 13 HB2 ALA 13 33.143 -6.928 7.760 78 HB3 ALA 13 HB3 ALA 13 33.936 -7.415 6.262 79 H ASP 14 HN ASP 14 37.431 -7.169 7.252 80 HA ASP 14 HA ASP 14 37.642 -9.472 5.411 81 HB2 ASP 14 HB2 ASP 14 39.281 -8.171 4.182 82 HB3 ASP 14 HB1 ASP 14 37.816 -7.212 4.385 83 H ASN 15 HN ASN 15 38.825 -8.118 8.308 84 HA ASN 15 HA ASN 15 41.487 -8.956 8.372 85 HB2 ASN 15 HB2 ASN 15 41.046 -7.729 10.241 86 HB3 ASN 15 HB1 ASN 15 39.402 -8.346 10.386 87 HD21 ASN 15 HD21 ASN 15 42.623 -8.682 11.578 88 HD22 ASN 15 HD22 ASN 15 42.360 -10.069 12.519 89 H GLN 16 HN GLN 16 38.548 -10.788 8.537 90 HA GLN 16 HA GLN 16 39.765 -13.156 9.666 91 HB2 GLN 16 HB2 GLN 16 37.606 -14.209 9.237 92 HB3 GLN 16 HB1 GLN 16 37.363 -12.633 9.991 93 HG2 GLN 16 HG2 GLN 16 36.000 -12.140 8.265 94 HG3 GLN 16 HG1 GLN 16 37.445 -12.071 7.260 95 HE21 GLN 16 HE21 GLN 16 38.117 -14.859 7.240 96 HE22 GLN 16 HE22 GLN 16 36.895 -15.692 6.407 97 H SER 17 HN SER 17 39.340 -11.780 6.522 98 HA SER 17 HA SER 17 39.726 -14.275 5.096 99 HB2 SER 17 HB2 SER 17 38.583 -12.968 3.643 100 HB3 SER 17 HB1 SER 17 39.113 -11.479 4.420 101 HG SER 17 HG SER 17 39.998 -11.716 2.324 102 H GLU 18 HN GLU 18 41.599 -11.263 5.509 103 HA GLU 18 HA GLU 18 43.895 -11.895 4.154 104 HB2 GLU 18 HB2 GLU 18 44.963 -10.227 5.376 105 HB3 GLU 18 HB1 GLU 18 43.265 -9.795 5.585 106 HG2 GLU 18 HG2 GLU 18 43.379 -11.326 7.691 107 HG3 GLU 18 HG1 GLU 18 45.123 -11.126 7.544 108 H CYS 19 HN CYS 19 42.715 -13.297 7.100 109 HA CYS 19 HA CYS 19 45.208 -14.441 7.949 110 HB2 CYS 19 HB2 CYS 19 42.383 -15.256 8.672 111 HB3 CYS 19 HB1 CYS 19 43.855 -15.688 9.544 112 HG CYS 19 HG CYS 19 42.423 -12.983 9.694 113 H GLU 20 HN GLU 20 42.535 -15.454 5.908 114 HA GLU 20 HA GLU 20 43.714 -18.124 5.590 115 HB2 GLU 20 HB2 GLU 20 41.196 -17.149 4.258 116 HB3 GLU 20 HB1 GLU 20 41.661 -18.802 4.665 117 HG2 GLU 20 HG2 GLU 20 41.691 -17.840 7.132 118 HG3 GLU 20 HG1 GLU 20 40.597 -16.641 6.444 119 H TYR 21 HN TYR 21 43.710 -15.072 4.114 120 HA TYR 21 HA TYR 21 43.801 -15.650 1.385 121 HB2 TYR 21 HB2 TYR 21 43.714 -13.361 2.152 122 HB3 TYR 21 HB1 TYR 21 45.267 -13.533 2.972 123 HD1 TYR 21 HD1 TYR 21 47.360 -13.811 1.660 124 HD2 TYR 21 HD2 TYR 21 43.583 -13.036 -0.232 125 HE1 TYR 21 HE1 TYR 21 48.536 -13.184 -0.431 126 HE2 TYR 21 HE2 TYR 21 44.758 -12.410 -2.324 127 HH TYR 21 HH TYR 21 47.967 -11.676 -2.478 128 H THR 22 HN THR 22 46.255 -15.987 3.876 129 HA THR 22 HA THR 22 48.418 -16.494 2.054 130 HB THR 22 HB THR 22 49.561 -17.324 4.161 131 HG1 THR 22 HG1 THR 22 47.665 -16.176 5.738 132 HG21 THR 22 HG21 THR 22 48.561 -14.645 3.527 133 HG22 THR 22 HG22 THR 22 50.181 -15.156 4.001 134 HG23 THR 22 HG23 THR 22 48.958 -14.847 5.232 135 H ASP 23 HN ASP 23 45.805 -18.332 3.257 136 HA ASP 23 HA ASP 23 47.164 -20.889 2.762 137 HB2 ASP 23 HB2 ASP 23 45.955 -21.136 4.716 138 HB3 ASP 23 HB1 ASP 23 44.663 -20.066 4.177 139 H TRP 24 HN TRP 24 44.207 -19.148 1.791 140 HA TRP 24 HA TRP 24 43.135 -20.842 -0.058 141 HB2 TRP 24 HB2 TRP 24 41.865 -18.951 0.042 142 HB3 TRP 24 HB1 TRP 24 43.267 -17.892 0.199 143 HD1 TRP 24 HD1 TRP 24 41.297 -19.857 -2.452 144 HE1 TRP 24 HE1 TRP 24 41.726 -18.777 -4.753 145 HE3 TRP 24 HE3 TRP 24 44.820 -16.394 -1.158 146 HZ2 TRP 24 HZ2 TRP 24 43.349 -16.716 -5.894 147 HZ3 TRP 24 HZ3 TRP 24 45.790 -14.887 -2.870 148 HH2 TRP 24 HH2 TRP 24 45.060 -15.043 -5.234 149 H LYS 25 HN LYS 25 45.698 -18.452 -0.732 150 HA LYS 25 HA LYS 25 46.143 -18.925 -3.399 151 HB2 LYS 25 HB2 LYS 25 47.333 -17.254 -1.918 152 HB3 LYS 25 HB1 LYS 25 48.373 -18.577 -1.389 153 HG2 LYS 25 HG2 LYS 25 49.072 -18.983 -3.706 154 HG3 LYS 25 HG1 LYS 25 47.997 -17.702 -4.269 155 HD2 LYS 25 HD2 LYS 25 49.295 -16.175 -2.625 156 HD3 LYS 25 HD1 LYS 25 50.508 -17.456 -2.618 157 HE2 LYS 25 HE2 LYS 25 50.456 -17.323 -5.171 158 HE3 LYS 25 HE1 LYS 25 49.540 -15.829 -4.976 159 HZ1 LYS 25 HZ1 LYS 25 51.527 -15.357 -3.308 160 HZ2 LYS 25 HZ2 LYS 25 51.609 -14.961 -4.958 161 HZ3 LYS 25 HZ3 LYS 25 52.338 -16.385 -4.386 162 H SER 26 HN SER 26 46.902 -20.984 -0.692 163 HA SER 26 HA SER 26 48.457 -22.803 -2.394 164 HB2 SER 26 HB2 SER 26 48.875 -22.057 0.172 165 HB3 SER 26 HB1 SER 26 47.910 -23.508 0.429 166 HG SER 26 HG SER 26 49.939 -24.259 0.231 167 H SER 27 HN SER 27 45.573 -22.788 -0.313 168 HA SER 27 HA SER 27 44.815 -25.459 -1.152 169 HB2 SER 27 HB2 SER 27 43.258 -23.431 0.466 170 HB3 SER 27 HB1 SER 27 42.888 -25.146 0.303 171 HG SER 27 HG SER 27 44.166 -25.360 1.956 172 H GLY 28 HN GLY 28 44.914 -22.864 -2.916 173 HA2 GLY 28 HA2 GLY 28 42.165 -22.746 -3.877 174 HA3 GLY 28 HA1 GLY 28 43.525 -21.797 -4.473 175 H ALA 29 HN ALA 29 44.832 -24.714 -4.378 176 HA ALA 29 HA ALA 29 44.265 -25.237 -7.203 177 HB1 ALA 29 HB1 ALA 29 46.279 -26.419 -7.266 178 HB2 ALA 29 HB2 ALA 29 46.233 -26.784 -5.542 179 HB3 ALA 29 HB3 ALA 29 46.624 -25.154 -6.087 180 H LEU 30 HN LEU 30 42.144 -25.796 -5.474 181 HA LEU 30 HA LEU 30 41.554 -28.486 -6.177 182 HB2 LEU 30 HB2 LEU 30 41.395 -29.433 -3.901 183 HB3 LEU 30 HB1 LEU 30 43.055 -29.010 -4.318 184 HG LEU 30 HG LEU 30 42.039 -26.667 -3.214 185 HD11 LEU 30 HD11 LEU 30 40.064 -27.928 -2.417 186 HD12 LEU 30 HD12 LEU 30 41.057 -27.374 -1.069 187 HD13 LEU 30 HD13 LEU 30 41.131 -29.058 -1.583 188 HD21 LEU 30 HD21 LEU 30 43.469 -27.387 -1.230 189 HD22 LEU 30 HD22 LEU 30 44.274 -27.440 -2.799 190 HD23 LEU 30 HD23 LEU 30 43.688 -28.930 -2.057 191 H ILE 31 HN ILE 31 40.828 -25.588 -4.349 192 HA ILE 31 HA ILE 31 38.151 -26.288 -3.680 193 HB ILE 31 HB ILE 31 39.757 -23.766 -3.635 194 HG12 ILE 31 HG12 ILE 31 37.963 -25.050 -1.566 195 HG13 ILE 31 HG11 ILE 31 39.652 -25.511 -1.787 196 HG21 ILE 31 HG21 ILE 31 37.746 -22.845 -4.502 197 HG22 ILE 31 HG22 ILE 31 37.596 -22.668 -2.754 198 HG23 ILE 31 HG23 ILE 31 36.742 -23.969 -3.583 199 HD11 ILE 31 HD11 ILE 31 38.716 -22.681 -1.233 200 HD12 ILE 31 HD12 ILE 31 40.386 -23.242 -1.310 201 HD13 ILE 31 HD13 ILE 31 39.335 -23.783 -0.002 202 HA PRO 32 HA PRO 32 37.213 -23.626 -7.690 203 HB2 PRO 32 HB2 PRO 32 39.274 -24.791 -9.474 204 HB3 PRO 32 HB1 PRO 32 38.723 -23.111 -9.332 205 HG2 PRO 32 HG2 PRO 32 41.108 -23.903 -8.423 206 HG3 PRO 32 HG1 PRO 32 40.160 -22.642 -7.615 207 HD2 PRO 32 HD2 PRO 32 40.564 -25.499 -6.820 208 HD3 PRO 32 HD1 PRO 32 40.407 -24.055 -5.799 209 H ALA 33 HN ALA 33 38.341 -26.908 -7.442 210 HA ALA 33 HA ALA 33 37.014 -28.073 -9.629 211 HB1 ALA 33 HB1 ALA 33 37.111 -30.174 -8.241 212 HB2 ALA 33 HB2 ALA 33 37.757 -29.198 -6.923 213 HB3 ALA 33 HB3 ALA 33 38.659 -29.350 -8.431 214 H ILE 34 HN ILE 34 35.988 -28.293 -6.217 215 HA ILE 34 HA ILE 34 33.364 -29.125 -6.778 216 HB ILE 34 HB ILE 34 34.690 -27.866 -4.395 217 HG12 ILE 34 HG12 ILE 34 34.225 -30.039 -3.406 218 HG13 ILE 34 HG11 ILE 34 33.240 -30.502 -4.795 219 HG21 ILE 34 HG21 ILE 34 32.553 -26.909 -4.150 220 HG22 ILE 34 HG22 ILE 34 32.413 -28.422 -3.256 221 HG23 ILE 34 HG23 ILE 34 31.747 -28.295 -4.884 222 HD11 ILE 34 HD11 ILE 34 35.636 -31.401 -4.770 223 HD12 ILE 34 HD12 ILE 34 36.154 -29.741 -5.062 224 HD13 ILE 34 HD13 ILE 34 35.137 -30.566 -6.242 225 H TYR 35 HN TYR 35 34.834 -25.967 -6.702 226 HA TYR 35 HA TYR 35 32.432 -24.438 -6.522 227 HB2 TYR 35 HB2 TYR 35 35.153 -23.886 -6.491 228 HB3 TYR 35 HB1 TYR 35 34.595 -23.155 -7.996 229 HD1 TYR 35 HD1 TYR 35 33.936 -23.328 -4.330 230 HD2 TYR 35 HD2 TYR 35 33.292 -21.172 -7.989 231 HE1 TYR 35 HE1 TYR 35 32.930 -21.458 -3.050 232 HE2 TYR 35 HE2 TYR 35 32.285 -19.302 -6.710 233 HH TYR 35 HH TYR 35 31.247 -18.870 -4.597 234 H MET 36 HN MET 36 34.499 -25.398 -9.259 235 HA MET 36 HA MET 36 33.184 -24.163 -11.335 236 HB2 MET 36 HB2 MET 36 34.916 -26.497 -11.042 237 HB3 MET 36 HB1 MET 36 33.798 -26.638 -12.399 238 HG2 MET 36 HG2 MET 36 35.529 -24.205 -11.892 239 HG3 MET 36 HG1 MET 36 35.972 -25.514 -12.988 240 HE1 MET 36 HE1 MET 36 35.507 -22.333 -13.304 241 HE2 MET 36 HE2 MET 36 33.962 -22.278 -12.460 242 HE3 MET 36 HE3 MET 36 34.041 -21.854 -14.169 243 H LEU 37 HN LEU 37 32.575 -27.538 -10.341 244 HA LEU 37 HA LEU 37 30.321 -28.000 -11.871 245 HB2 LEU 37 HB2 LEU 37 31.569 -29.659 -10.408 246 HB3 LEU 37 HB1 LEU 37 30.650 -29.018 -9.046 247 HG LEU 37 HG LEU 37 28.664 -29.440 -10.885 248 HD11 LEU 37 HD11 LEU 37 29.020 -31.487 -12.036 249 HD12 LEU 37 HD12 LEU 37 30.476 -31.847 -11.108 250 HD13 LEU 37 HD13 LEU 37 30.493 -30.558 -12.311 251 HD21 LEU 37 HD21 LEU 37 28.149 -31.459 -9.535 252 HD22 LEU 37 HD22 LEU 37 28.636 -30.105 -8.515 253 HD23 LEU 37 HD23 LEU 37 29.776 -31.407 -8.857 254 H VAL 38 HN VAL 38 30.567 -26.446 -8.701 255 HA VAL 38 HA VAL 38 27.704 -26.088 -8.478 256 HB VAL 38 HB VAL 38 30.010 -24.983 -6.859 257 HG11 VAL 38 HG11 VAL 38 27.051 -24.573 -6.748 258 HG12 VAL 38 HG12 VAL 38 28.354 -23.453 -6.349 259 HG13 VAL 38 HG13 VAL 38 27.918 -24.737 -5.221 260 HG21 VAL 38 HG21 VAL 38 29.488 -27.502 -6.864 261 HG22 VAL 38 HG22 VAL 38 27.966 -27.072 -6.084 262 HG23 VAL 38 HG23 VAL 38 29.497 -26.702 -5.292 263 H PHE 39 HN PHE 39 30.084 -24.598 -10.264 264 HA PHE 39 HA PHE 39 28.825 -21.942 -10.132 265 HB2 PHE 39 HB2 PHE 39 31.325 -22.164 -9.954 266 HB3 PHE 39 HB1 PHE 39 31.331 -22.750 -11.617 267 HD1 PHE 39 HD2 PHE 39 29.913 -19.926 -9.587 268 HD2 PHE 39 HD1 PHE 39 31.614 -21.183 -13.327 269 HE1 PHE 39 HE2 PHE 39 29.846 -17.585 -10.406 270 HE2 PHE 39 HE1 PHE 39 31.546 -18.845 -14.144 271 HZ PHE 39 HZ PHE 39 30.662 -17.045 -12.685 272 H LEU 40 HN LEU 40 29.317 -24.696 -12.237 273 HA LEU 40 HA LEU 40 28.086 -23.265 -14.485 274 HB2 LEU 40 HB2 LEU 40 28.666 -25.293 -15.794 275 HB3 LEU 40 HB1 LEU 40 30.070 -24.545 -15.038 276 HG LEU 40 HG LEU 40 29.249 -26.296 -13.082 277 HD11 LEU 40 HD11 LEU 40 28.847 -27.632 -15.776 278 HD12 LEU 40 HD12 LEU 40 27.571 -27.286 -14.610 279 HD13 LEU 40 HD13 LEU 40 28.838 -28.447 -14.213 280 HD21 LEU 40 HD21 LEU 40 31.545 -26.090 -13.687 281 HD22 LEU 40 HD22 LEU 40 31.226 -26.567 -15.354 282 HD23 LEU 40 HD23 LEU 40 31.123 -27.761 -14.060 283 H LEU 41 HN LEU 41 27.269 -25.422 -11.962 284 HA LEU 41 HA LEU 41 24.814 -26.254 -13.377 285 HB2 LEU 41 HB2 LEU 41 24.873 -28.236 -12.256 286 HB3 LEU 41 HB1 LEU 41 26.579 -27.850 -12.110 287 HG LEU 41 HG LEU 41 25.936 -26.647 -9.906 288 HD11 LEU 41 HD11 LEU 41 23.342 -27.519 -10.730 289 HD12 LEU 41 HD12 LEU 41 23.784 -26.710 -9.230 290 HD13 LEU 41 HD13 LEU 41 23.794 -28.470 -9.317 291 HD21 LEU 41 HD21 LEU 41 27.140 -28.497 -9.375 292 HD22 LEU 41 HD22 LEU 41 26.257 -29.516 -10.512 293 HD23 LEU 41 HD23 LEU 41 25.575 -29.173 -8.923 294 H GLY 42 HN GLY 42 26.068 -24.520 -10.623 295 HA2 GLY 42 HA2 GLY 42 23.369 -24.083 -9.555 296 HA3 GLY 42 HA1 GLY 42 24.879 -23.650 -8.762 297 H THR 43 HN THR 43 25.291 -22.724 -11.870 298 HA THR 43 HA THR 43 24.006 -20.091 -11.512 299 HB THR 43 HB THR 43 26.647 -20.005 -12.793 300 HG1 THR 43 HG1 THR 43 26.440 -20.489 -10.009 301 HG21 THR 43 HG21 THR 43 25.237 -18.040 -12.168 302 HG22 THR 43 HG22 THR 43 26.836 -18.000 -11.427 303 HG23 THR 43 HG23 THR 43 25.435 -18.480 -10.473 304 H THR 44 HN THR 44 23.445 -22.499 -13.188 305 HA THR 44 HA THR 44 23.451 -21.117 -15.798 306 HB THR 44 HB THR 44 23.953 -24.075 -15.398 307 HG1 THR 44 HG1 THR 44 25.669 -21.948 -16.158 308 HG21 THR 44 HG21 THR 44 23.796 -22.277 -17.824 309 HG22 THR 44 HG22 THR 44 22.823 -23.707 -17.475 310 HG23 THR 44 HG23 THR 44 24.534 -23.878 -17.866 311 H GLY 45 HN GLY 45 22.080 -23.814 -13.917 312 HA2 GLY 45 HA2 GLY 45 19.543 -23.494 -15.393 313 HA3 GLY 45 HA1 GLY 45 20.024 -24.928 -14.490 314 H ASN 46 HN ASN 46 20.988 -22.452 -12.609 315 HA ASN 46 HA ASN 46 18.595 -22.653 -10.929 316 HB2 ASN 46 HB2 ASN 46 21.465 -21.995 -10.474 317 HB3 ASN 46 HB1 ASN 46 20.278 -21.269 -9.391 318 HD21 ASN 46 HD21 ASN 46 21.544 -24.396 -10.551 319 HD22 ASN 46 HD22 ASN 46 20.926 -25.307 -9.258 320 H GLY 47 HN GLY 47 20.792 -20.127 -12.166 321 HA2 GLY 47 HA2 GLY 47 19.243 -17.926 -11.310 322 HA3 GLY 47 HA1 GLY 47 20.456 -17.889 -12.587 323 H LEU 48 HN LEU 48 19.383 -19.637 -14.429 324 HA LEU 48 HA LEU 48 17.580 -18.032 -15.843 325 HB2 LEU 48 HB2 LEU 48 19.023 -19.830 -16.829 326 HB3 LEU 48 HB1 LEU 48 17.938 -21.026 -16.125 327 HG LEU 48 HG LEU 48 16.043 -20.006 -17.392 328 HD11 LEU 48 HD11 LEU 48 16.523 -17.814 -17.924 329 HD12 LEU 48 HD12 LEU 48 17.036 -18.579 -19.427 330 HD13 LEU 48 HD13 LEU 48 18.231 -18.142 -18.208 331 HD21 LEU 48 HD21 LEU 48 17.590 -20.503 -19.707 332 HD22 LEU 48 HD22 LEU 48 16.569 -21.648 -18.838 333 HD23 LEU 48 HD23 LEU 48 18.278 -21.505 -18.430 334 H VAL 49 HN VAL 49 16.986 -20.954 -13.898 335 HA VAL 49 HA VAL 49 14.205 -21.081 -14.307 336 HB VAL 49 HB VAL 49 16.036 -22.099 -12.149 337 HG11 VAL 49 HG11 VAL 49 13.865 -23.405 -11.473 338 HG12 VAL 49 HG12 VAL 49 13.029 -22.037 -12.209 339 HG13 VAL 49 HG13 VAL 49 14.118 -21.775 -10.847 340 HG21 VAL 49 HG21 VAL 49 15.460 -24.249 -13.115 341 HG22 VAL 49 HG22 VAL 49 15.915 -23.166 -14.431 342 HG23 VAL 49 HG23 VAL 49 14.213 -23.511 -14.121 343 H LEU 50 HN LEU 50 15.759 -20.137 -11.242 344 HA LEU 50 HA LEU 50 13.660 -18.978 -9.966 345 HB2 LEU 50 HB2 LEU 50 16.562 -18.175 -10.034 346 HB3 LEU 50 HB1 LEU 50 15.399 -17.342 -9.003 347 HG LEU 50 HG LEU 50 15.411 -20.325 -8.928 348 HD11 LEU 50 HD11 LEU 50 17.515 -18.575 -7.619 349 HD12 LEU 50 HD12 LEU 50 17.800 -19.820 -8.834 350 HD13 LEU 50 HD13 LEU 50 17.234 -20.271 -7.225 351 HD21 LEU 50 HD21 LEU 50 14.865 -19.889 -6.574 352 HD22 LEU 50 HD22 LEU 50 13.811 -18.939 -7.620 353 HD23 LEU 50 HD23 LEU 50 15.172 -18.167 -6.805 354 H TRP 51 HN TRP 51 15.458 -17.652 -12.662 355 HA TRP 51 HA TRP 51 14.336 -15.012 -12.472 356 HB2 TRP 51 HB2 TRP 51 16.471 -15.288 -13.568 357 HB3 TRP 51 HB1 TRP 51 15.785 -16.444 -14.709 358 HD1 TRP 51 HD1 TRP 51 15.928 -12.732 -13.911 359 HE1 TRP 51 HE1 TRP 51 14.963 -11.407 -15.902 360 HE3 TRP 51 HE3 TRP 51 14.099 -16.578 -16.728 361 HZ2 TRP 51 HZ2 TRP 51 13.598 -11.912 -18.365 362 HZ3 TRP 51 HZ3 TRP 51 12.972 -16.129 -18.890 363 HH2 TRP 51 HH2 TRP 51 12.720 -13.802 -19.710 364 H THR 52 HN THR 52 13.790 -17.787 -14.645 365 HA THR 52 HA THR 52 11.660 -16.617 -16.089 366 HB THR 52 HB THR 52 12.602 -19.434 -15.649 367 HG1 THR 52 HG1 THR 52 12.145 -18.157 -18.093 368 HG21 THR 52 HG21 THR 52 10.806 -19.968 -17.454 369 HG22 THR 52 HG22 THR 52 10.009 -18.510 -16.864 370 HG23 THR 52 HG23 THR 52 10.296 -19.863 -15.769 371 H VAL 53 HN VAL 53 11.747 -18.630 -13.177 372 HA VAL 53 HA VAL 53 8.978 -19.038 -12.903 373 HB VAL 53 HB VAL 53 11.213 -18.940 -10.875 374 HG11 VAL 53 HG11 VAL 53 8.256 -19.335 -10.548 375 HG12 VAL 53 HG12 VAL 53 9.389 -18.485 -9.498 376 HG13 VAL 53 HG13 VAL 53 9.363 -20.248 -9.524 377 HG21 VAL 53 HG21 VAL 53 11.050 -20.773 -12.664 378 HG22 VAL 53 HG22 VAL 53 9.571 -21.286 -11.851 379 HG23 VAL 53 HG23 VAL 53 11.108 -21.321 -10.987 380 H PHE 54 HN PHE 54 11.100 -16.506 -11.589 381 HA PHE 54 HA PHE 54 9.182 -15.127 -10.085 382 HB2 PHE 54 HB2 PHE 54 11.876 -14.661 -11.036 383 HB3 PHE 54 HB1 PHE 54 10.915 -13.184 -11.119 384 HD1 PHE 54 HD2 PHE 54 9.269 -12.891 -8.986 385 HD2 PHE 54 HD1 PHE 54 12.975 -15.064 -9.016 386 HE1 PHE 54 HE2 PHE 54 9.447 -12.625 -6.527 387 HE2 PHE 54 HE1 PHE 54 13.152 -14.797 -6.558 388 HZ PHE 54 HZ PHE 54 11.388 -13.577 -5.313 389 H ARG 55 HN ARG 55 9.450 -15.502 -13.452 390 HA ARG 55 HA ARG 55 7.736 -13.142 -13.948 391 HB2 ARG 55 HB2 ARG 55 9.792 -14.568 -15.578 392 HB3 ARG 55 HB1 ARG 55 8.444 -13.801 -16.416 393 HG2 ARG 55 HG2 ARG 55 9.090 -11.671 -15.806 394 HG3 ARG 55 HG1 ARG 55 9.830 -12.212 -14.300 395 HD2 ARG 55 HD2 ARG 55 11.053 -13.098 -16.883 396 HD3 ARG 55 HD1 ARG 55 11.330 -11.444 -16.345 397 HE ARG 55 HE ARG 55 12.523 -13.786 -15.242 398 HH11 ARG 55 HH21 ARG 55 11.187 -10.694 -14.451 399 HH12 ARG 55 HH22 ARG 55 12.133 -10.499 -13.012 400 HH21 ARG 55 HH11 ARG 55 13.763 -13.541 -13.355 401 HH22 ARG 55 HH12 ARG 55 13.591 -12.111 -12.393 402 H LYS 56 HN LYS 56 7.378 -16.272 -13.270 403 HA LYS 56 HA LYS 56 5.124 -16.612 -15.159 404 HB2 LYS 56 HB2 LYS 56 5.701 -18.766 -15.569 405 HB3 LYS 56 HB1 LYS 56 7.300 -18.228 -15.061 406 HG2 LYS 56 HG2 LYS 56 6.646 -18.892 -12.686 407 HG3 LYS 56 HG1 LYS 56 5.213 -19.652 -13.377 408 HD2 LYS 56 HD2 LYS 56 7.905 -20.351 -14.512 409 HD3 LYS 56 HD1 LYS 56 7.395 -21.075 -12.990 410 HE2 LYS 56 HE2 LYS 56 5.715 -21.110 -15.509 411 HE3 LYS 56 HE1 LYS 56 6.779 -22.429 -15.020 412 HZ1 LYS 56 HZ1 LYS 56 5.550 -22.579 -12.933 413 HZ2 LYS 56 HZ2 LYS 56 4.532 -22.827 -14.270 414 HZ3 LYS 56 HZ3 LYS 56 4.508 -21.342 -13.445 415 H LYS 57 HN LYS 57 6.273 -16.755 -11.875 416 HA LYS 57 HA LYS 57 3.631 -17.644 -10.932 417 HB2 LYS 57 HB2 LYS 57 5.839 -18.685 -10.109 418 HB3 LYS 57 HB1 LYS 57 6.054 -17.186 -9.203 419 HG2 LYS 57 HG2 LYS 57 3.551 -17.674 -8.459 420 HG3 LYS 57 HG1 LYS 57 4.001 -19.334 -8.849 421 HD2 LYS 57 HD2 LYS 57 6.082 -18.951 -7.405 422 HD3 LYS 57 HD1 LYS 57 5.282 -17.488 -6.829 423 HE2 LYS 57 HE2 LYS 57 3.270 -19.321 -6.572 424 HE3 LYS 57 HE1 LYS 57 4.684 -20.319 -6.233 425 HZ1 LYS 57 HZ1 LYS 57 3.853 -17.826 -4.865 426 HZ2 LYS 57 HZ2 LYS 57 5.397 -18.510 -4.675 427 HZ3 LYS 57 HZ3 LYS 57 4.015 -19.376 -4.195 428 H GLY 58 HN GLY 58 5.858 -14.937 -10.892 429 HA2 GLY 58 HA2 GLY 58 4.301 -13.414 -8.980 430 HA3 GLY 58 HA1 GLY 58 5.712 -12.849 -9.869 431 H HIS 59 HN HIS 59 4.592 -13.695 -12.461 432 HA HIS 59 HA HIS 59 3.355 -11.291 -13.227 433 HB2 HIS 59 HB2 HIS 59 4.207 -13.722 -14.492 434 HB3 HIS 59 HB1 HIS 59 2.595 -13.301 -15.070 435 HD2 HIS 59 HD2 HIS 59 6.215 -11.715 -15.027 436 HE1 HIS 59 HE1 HIS 59 3.810 -9.504 -17.701 437 HE2 HIS 59 HE2 HIS 59 6.169 -9.809 -16.812 438 H HIS 60 HN HIS 60 2.090 -14.014 -11.629 439 HA HIS 60 HA HIS 60 -0.639 -12.967 -11.993 440 HB2 HIS 60 HB2 HIS 60 0.255 -15.828 -12.353 441 HB3 HIS 60 HB1 HIS 60 -1.420 -15.396 -12.011 442 HD2 HIS 60 HD2 HIS 60 0.439 -16.152 -15.084 443 HE1 HIS 60 HE1 HIS 60 -2.029 -12.931 -16.250 444 HE2 HIS 60 HE2 HIS 60 -0.544 -14.810 -17.096 445 H HIS 61 HN HIS 61 -0.661 -12.096 -9.935 446 HA HIS 61 HA HIS 61 0.104 -13.670 -7.632 447 HB2 HIS 61 HB2 HIS 61 -0.977 -10.909 -8.074 448 HB3 HIS 61 HB1 HIS 61 -1.046 -11.622 -6.462 449 HD2 HIS 61 HD2 HIS 61 2.088 -12.600 -8.534 450 HE1 HIS 61 HE1 HIS 61 3.296 -9.651 -5.764 451 HE2 HIS 61 HE2 HIS 61 4.116 -11.346 -7.468 452 H HIS 62 HN HIS 62 -2.235 -14.351 -9.535 453 HA HIS 62 HA HIS 62 -4.330 -15.280 -9.370 454 HB2 HIS 62 HB2 HIS 62 -3.137 -15.758 -6.659 455 HB3 HIS 62 HB1 HIS 62 -4.815 -16.202 -6.970 456 HD2 HIS 62 HD2 HIS 62 -5.007 -17.950 -9.427 457 HE1 HIS 62 HE1 HIS 62 -1.163 -19.550 -8.732 458 HE2 HIS 62 HE2 HIS 62 -3.327 -19.857 -10.024 459 H HIS 63 HN HIS 63 -4.282 -14.071 -6.051 460 HA HIS 63 HA HIS 63 -6.753 -12.612 -6.561 461 HB2 HIS 63 HB2 HIS 63 -5.235 -12.832 -3.958 462 HB3 HIS 63 HB1 HIS 63 -6.933 -12.410 -4.183 463 HD2 HIS 63 HD2 HIS 63 -6.301 -15.116 -2.421 464 HE1 HIS 63 HE1 HIS 63 -7.456 -17.225 -5.889 465 HE2 HIS 63 HE2 HIS 63 -7.073 -17.416 -3.387 466 H HIS 64 HN HIS 64 -4.534 -11.549 -7.910 467 HA HIS 64 HA HIS 64 -3.233 -9.647 -8.142 468 HB2 HIS 64 HB2 HIS 64 -5.828 -8.611 -6.992 469 HB3 HIS 64 HB1 HIS 64 -4.570 -7.561 -7.642 470 HD2 HIS 64 HD2 HIS 64 -4.874 -7.139 -10.349 471 HE1 HIS 64 HE1 HIS 64 -7.133 -10.589 -11.252 472 HE2 HIS 64 HE2 HIS 64 -6.135 -8.462 -12.214 Start of MODEL 26 1 H1 MET 1 HT1 MET 1 14.676 -18.090 -25.899 2 H2 MET 1 HT2 MET 1 14.333 -19.645 -25.307 3 H3 MET 1 HT3 MET 1 15.885 -19.279 -25.895 4 HA MET 1 HA MET 1 14.686 -17.894 -23.569 5 HB2 MET 1 HB2 MET 1 14.970 -20.450 -23.334 6 HB3 MET 1 HB1 MET 1 16.704 -20.135 -23.417 7 HG2 MET 1 HG2 MET 1 16.470 -19.920 -21.148 8 HG3 MET 1 HG1 MET 1 16.005 -18.277 -21.586 9 HE1 MET 1 HE1 MET 1 14.531 -18.151 -19.117 10 HE2 MET 1 HE2 MET 1 15.496 -19.623 -19.029 11 HE3 MET 1 HE3 MET 1 13.787 -19.672 -18.602 12 H GLU 2 HN GLU 2 15.676 -16.057 -24.746 13 HA GLU 2 HA GLU 2 17.377 -14.557 -25.125 14 HB2 GLU 2 HB2 GLU 2 18.592 -16.054 -22.789 15 HB3 GLU 2 HB1 GLU 2 19.127 -14.482 -23.384 16 HG2 GLU 2 HG2 GLU 2 16.908 -13.533 -22.912 17 HG3 GLU 2 HG1 GLU 2 16.347 -15.104 -22.344 18 H GLU 3 HN GLU 3 19.992 -14.519 -25.228 19 HA GLU 3 HA GLU 3 21.288 -16.877 -26.128 20 HB2 GLU 3 HB2 GLU 3 19.596 -16.326 -28.011 21 HB3 GLU 3 HB1 GLU 3 20.681 -14.989 -28.388 22 HG2 GLU 3 HG2 GLU 3 21.550 -16.684 -29.733 23 HG3 GLU 3 HG1 GLU 3 22.544 -16.837 -28.285 24 H GLY 4 HN GLY 4 21.993 -14.898 -24.344 25 HA2 GLY 4 HA2 GLY 4 23.756 -13.535 -23.776 26 HA3 GLY 4 HA1 GLY 4 24.584 -14.201 -25.179 27 H GLY 5 HN GLY 5 23.287 -11.427 -23.827 28 HA2 GLY 5 HA2 GLY 5 23.405 -10.025 -26.429 29 HA3 GLY 5 HA1 GLY 5 22.129 -9.680 -25.266 30 H ASP 6 HN ASP 6 22.468 -8.014 -23.943 31 HA ASP 6 HA ASP 6 25.149 -7.425 -22.957 32 HB2 ASP 6 HB2 ASP 6 24.952 -5.026 -23.645 33 HB3 ASP 6 HB1 ASP 6 25.154 -6.139 -24.997 34 H PHE 7 HN PHE 7 23.376 -8.375 -21.315 35 HA PHE 7 HA PHE 7 21.562 -6.448 -20.206 36 HB2 PHE 7 HB2 PHE 7 22.639 -8.953 -18.899 37 HB3 PHE 7 HB1 PHE 7 21.156 -8.091 -18.492 38 HD1 PHE 7 HD1 PHE 7 19.248 -8.048 -20.104 39 HD2 PHE 7 HD2 PHE 7 22.737 -10.464 -20.763 40 HE1 PHE 7 HE1 PHE 7 18.010 -9.374 -21.795 41 HE2 PHE 7 HE2 PHE 7 21.500 -11.790 -22.454 42 HZ PHE 7 HZ PHE 7 19.136 -11.245 -22.970 43 H ASP 8 HN ASP 8 22.012 -6.732 -17.462 44 HA ASP 8 HA ASP 8 23.954 -4.680 -17.027 45 HB2 ASP 8 HB2 ASP 8 22.649 -6.431 -14.939 46 HB3 ASP 8 HB1 ASP 8 23.328 -4.820 -14.716 47 H ASN 9 HN ASN 9 24.577 -7.668 -17.901 48 HA ASN 9 HA ASN 9 26.137 -8.989 -16.088 49 HB2 ASN 9 HB2 ASN 9 26.288 -8.643 -19.045 50 HB3 ASN 9 HB1 ASN 9 27.665 -9.388 -18.235 51 HD21 ASN 9 HD21 ASN 9 27.447 -11.623 -18.391 52 HD22 ASN 9 HD22 ASN 9 25.998 -12.475 -18.163 53 H TYR 10 HN TYR 10 27.603 -6.773 -18.473 54 HA TYR 10 HA TYR 10 29.986 -6.476 -16.938 55 HB2 TYR 10 HB2 TYR 10 30.501 -4.674 -18.612 56 HB3 TYR 10 HB1 TYR 10 30.115 -6.239 -19.327 57 HD1 TYR 10 HD1 TYR 10 27.828 -6.653 -20.271 58 HD2 TYR 10 HD2 TYR 10 29.103 -2.763 -18.968 59 HE1 TYR 10 HE1 TYR 10 25.962 -5.618 -21.535 60 HE2 TYR 10 HE2 TYR 10 27.237 -1.729 -20.233 61 HH TYR 10 HH TYR 10 24.736 -3.678 -21.740 62 H TYR 11 HN TYR 11 27.745 -5.854 -15.346 63 HA TYR 11 HA TYR 11 28.554 -3.294 -14.329 64 HB2 TYR 11 HB2 TYR 11 26.854 -2.905 -16.300 65 HB3 TYR 11 HB1 TYR 11 25.660 -3.380 -15.090 66 HD1 TYR 11 HD2 TYR 11 28.571 -1.082 -15.604 67 HD2 TYR 11 HD1 TYR 11 24.887 -1.816 -13.518 68 HE1 TYR 11 HE2 TYR 11 28.693 1.179 -14.593 69 HE2 TYR 11 HE1 TYR 11 25.010 0.445 -12.507 70 HH TYR 11 HH TYR 11 26.120 2.686 -13.146 71 H GLY 12 HN GLY 12 28.507 -5.891 -13.273 72 HA2 GLY 12 HA2 GLY 12 27.504 -5.563 -10.738 73 HA3 GLY 12 HA1 GLY 12 26.190 -6.318 -11.637 74 H ALA 13 HN ALA 13 29.506 -6.936 -12.468 75 HA ALA 13 HA ALA 13 29.352 -9.605 -11.201 76 HB1 ALA 13 HB1 ALA 13 29.190 -10.424 -13.299 77 HB2 ALA 13 HB2 ALA 13 30.900 -10.011 -13.436 78 HB3 ALA 13 HB3 ALA 13 29.673 -8.892 -14.030 79 H ASP 14 HN ASP 14 31.249 -6.832 -12.113 80 HA ASP 14 HA ASP 14 33.727 -8.049 -11.140 81 HB2 ASP 14 HB2 ASP 14 34.744 -5.882 -11.845 82 HB3 ASP 14 HB1 ASP 14 33.917 -6.724 -13.155 83 H ASN 15 HN ASN 15 31.332 -5.644 -10.241 84 HA ASN 15 HA ASN 15 32.588 -4.215 -8.260 85 HB2 ASN 15 HB2 ASN 15 30.355 -3.626 -8.740 86 HB3 ASN 15 HB1 ASN 15 29.772 -5.266 -8.454 87 HD21 ASN 15 HD21 ASN 15 29.681 -6.013 -6.175 88 HD22 ASN 15 HD22 ASN 15 29.632 -4.880 -4.911 89 H GLN 16 HN GLN 16 31.517 -7.548 -8.182 90 HA GLN 16 HA GLN 16 32.038 -7.824 -5.333 91 HB2 GLN 16 HB2 GLN 16 31.334 -9.890 -7.433 92 HB3 GLN 16 HB1 GLN 16 31.414 -10.183 -5.695 93 HG2 GLN 16 HG2 GLN 16 29.668 -8.448 -5.348 94 HG3 GLN 16 HG1 GLN 16 29.553 -8.240 -7.095 95 HE21 GLN 16 HE21 GLN 16 28.753 -10.394 -4.417 96 HE22 GLN 16 HE22 GLN 16 27.789 -11.456 -5.325 97 H SER 17 HN SER 17 33.555 -8.634 -8.405 98 HA SER 17 HA SER 17 35.564 -10.357 -7.472 99 HB2 SER 17 HB2 SER 17 36.560 -10.091 -9.561 100 HB3 SER 17 HB1 SER 17 34.882 -9.677 -9.902 101 HG SER 17 HG SER 17 35.661 -7.838 -10.541 102 H GLU 18 HN GLU 18 35.612 -6.822 -7.932 103 HA GLU 18 HA GLU 18 38.193 -6.226 -7.229 104 HB2 GLU 18 HB2 GLU 18 35.605 -4.828 -7.041 105 HB3 GLU 18 HB1 GLU 18 36.858 -4.220 -5.958 106 HG2 GLU 18 HG2 GLU 18 38.396 -3.947 -7.826 107 HG3 GLU 18 HG1 GLU 18 37.224 -4.660 -8.931 108 H CYS 19 HN CYS 19 35.582 -5.879 -4.842 109 HA CYS 19 HA CYS 19 37.171 -5.853 -2.575 110 HB2 CYS 19 HB2 CYS 19 34.359 -6.922 -2.905 111 HB3 CYS 19 HB1 CYS 19 35.128 -6.596 -1.352 112 HG CYS 19 HG CYS 19 35.429 -4.067 -2.715 113 H GLU 20 HN GLU 20 36.113 -8.566 -4.504 114 HA GLU 20 HA GLU 20 37.197 -10.465 -2.535 115 HB2 GLU 20 HB2 GLU 20 34.967 -10.953 -3.455 116 HB3 GLU 20 HB1 GLU 20 35.638 -10.959 -5.085 117 HG2 GLU 20 HG2 GLU 20 36.557 -13.023 -4.835 118 HG3 GLU 20 HG1 GLU 20 37.054 -12.706 -3.174 119 H TYR 21 HN TYR 21 38.700 -8.605 -4.468 120 HA TYR 21 HA TYR 21 40.088 -10.496 -6.195 121 HB2 TYR 21 HB2 TYR 21 39.619 -8.202 -6.986 122 HB3 TYR 21 HB1 TYR 21 40.617 -7.560 -5.681 123 HD1 TYR 21 HD1 TYR 21 43.063 -8.031 -5.618 124 HD2 TYR 21 HD2 TYR 21 40.605 -9.196 -8.943 125 HE1 TYR 21 HE1 TYR 21 45.093 -8.348 -7.008 126 HE2 TYR 21 HE2 TYR 21 42.635 -9.514 -10.332 127 HH TYR 21 HH TYR 21 45.755 -8.444 -9.297 128 H THR 22 HN THR 22 40.699 -8.602 -3.275 129 HA THR 22 HA THR 22 43.447 -9.313 -3.028 130 HB THR 22 HB THR 22 43.056 -8.606 -0.604 131 HG1 THR 22 HG1 THR 22 40.640 -7.546 -1.493 132 HG21 THR 22 HG21 THR 22 42.231 -6.715 -2.825 133 HG22 THR 22 HG22 THR 22 43.892 -7.077 -2.352 134 HG23 THR 22 HG23 THR 22 42.819 -6.236 -1.232 135 H ASP 23 HN ASP 23 40.583 -11.053 -2.601 136 HA ASP 23 HA ASP 23 41.865 -12.986 -0.774 137 HB2 ASP 23 HB2 ASP 23 39.201 -11.940 -0.977 138 HB3 ASP 23 HB1 ASP 23 39.163 -13.684 -1.238 139 H TRP 24 HN TRP 24 39.938 -12.810 -3.767 140 HA TRP 24 HA TRP 24 39.784 -15.390 -4.569 141 HB2 TRP 24 HB2 TRP 24 38.922 -14.088 -6.220 142 HB3 TRP 24 HB1 TRP 24 40.142 -12.834 -6.006 143 HD1 TRP 24 HD1 TRP 24 39.418 -16.022 -7.916 144 HE1 TRP 24 HE1 TRP 24 41.235 -16.365 -9.713 145 HE3 TRP 24 HE3 TRP 24 42.697 -12.348 -6.569 146 HZ2 TRP 24 HZ2 TRP 24 43.746 -15.230 -10.480 147 HZ3 TRP 24 HZ3 TRP 24 44.791 -11.999 -7.848 148 HH2 TRP 24 HH2 TRP 24 45.319 -13.435 -9.799 149 H LYS 25 HN LYS 25 42.664 -13.333 -4.929 150 HA LYS 25 HA LYS 25 44.343 -14.983 -6.327 151 HB2 LYS 25 HB2 LYS 25 44.789 -12.651 -5.298 152 HB3 LYS 25 HB1 LYS 25 45.344 -13.546 -3.882 153 HG2 LYS 25 HG2 LYS 25 46.933 -14.800 -5.301 154 HG3 LYS 25 HG1 LYS 25 46.394 -13.882 -6.707 155 HD2 LYS 25 HD2 LYS 25 48.110 -12.488 -6.157 156 HD3 LYS 25 HD1 LYS 25 46.974 -11.861 -4.964 157 HE2 LYS 25 HE2 LYS 25 47.849 -13.536 -3.322 158 HE3 LYS 25 HE1 LYS 25 49.060 -14.015 -4.512 159 HZ1 LYS 25 HZ1 LYS 25 49.067 -11.790 -2.759 160 HZ2 LYS 25 HZ2 LYS 25 49.174 -11.262 -4.370 161 HZ3 LYS 25 HZ3 LYS 25 50.309 -12.367 -3.759 162 H SER 26 HN SER 26 43.414 -15.237 -2.945 163 HA SER 26 HA SER 26 45.111 -17.624 -2.639 164 HB2 SER 26 HB2 SER 26 43.579 -16.030 -0.572 165 HB3 SER 26 HB1 SER 26 44.623 -17.409 -0.234 166 HG SER 26 HG SER 26 46.259 -16.109 -0.354 167 H SER 27 HN SER 27 41.755 -16.525 -2.313 168 HA SER 27 HA SER 27 40.862 -19.294 -1.933 169 HB2 SER 27 HB2 SER 27 38.628 -18.201 -1.564 170 HB3 SER 27 HB1 SER 27 39.871 -17.711 -0.417 171 HG SER 27 HG SER 27 38.516 -16.030 -1.541 172 H GLY 28 HN GLY 28 41.952 -18.427 -4.485 173 HA2 GLY 28 HA2 GLY 28 39.611 -19.052 -6.161 174 HA3 GLY 28 HA1 GLY 28 40.634 -17.684 -6.591 175 H ALA 29 HN ALA 29 41.947 -20.580 -5.149 176 HA ALA 29 HA ALA 29 42.994 -21.446 -7.770 177 HB1 ALA 29 HB1 ALA 29 45.015 -22.009 -5.930 178 HB2 ALA 29 HB2 ALA 29 44.495 -20.374 -5.526 179 HB3 ALA 29 HB3 ALA 29 45.040 -20.746 -7.162 180 H LEU 30 HN LEU 30 41.048 -22.284 -5.399 181 HA LEU 30 HA LEU 30 41.562 -25.123 -5.755 182 HB2 LEU 30 HB2 LEU 30 41.359 -25.462 -3.219 183 HB3 LEU 30 HB1 LEU 30 42.905 -24.867 -3.826 184 HG LEU 30 HG LEU 30 41.000 -22.713 -3.258 185 HD11 LEU 30 HD11 LEU 30 41.175 -22.909 -0.801 186 HD12 LEU 30 HD12 LEU 30 41.984 -24.466 -0.984 187 HD13 LEU 30 HD13 LEU 30 40.303 -24.281 -1.486 188 HD21 LEU 30 HD21 LEU 30 42.954 -21.715 -2.261 189 HD22 LEU 30 HD22 LEU 30 43.491 -22.553 -3.716 190 HD23 LEU 30 HD23 LEU 30 43.757 -23.280 -2.132 191 H ILE 31 HN ILE 31 39.595 -22.542 -4.380 192 HA ILE 31 HA ILE 31 37.317 -24.201 -3.877 193 HB ILE 31 HB ILE 31 37.087 -21.246 -4.265 194 HG12 ILE 31 HG12 ILE 31 38.717 -22.695 -2.193 195 HG13 ILE 31 HG11 ILE 31 39.085 -21.193 -3.043 196 HG21 ILE 31 HG21 ILE 31 36.093 -22.948 -1.987 197 HG22 ILE 31 HG22 ILE 31 35.243 -22.935 -3.532 198 HG23 ILE 31 HG23 ILE 31 35.424 -21.440 -2.613 199 HD11 ILE 31 HD11 ILE 31 38.487 -20.445 -0.897 200 HD12 ILE 31 HD12 ILE 31 37.198 -21.638 -0.739 201 HD13 ILE 31 HD13 ILE 31 36.992 -20.253 -1.813 202 HA PRO 32 HA PRO 32 35.926 -21.987 -8.068 203 HB2 PRO 32 HB2 PRO 32 38.464 -22.501 -9.536 204 HB3 PRO 32 HB1 PRO 32 37.365 -21.112 -9.631 205 HG2 PRO 32 HG2 PRO 32 39.712 -20.939 -8.394 206 HG3 PRO 32 HG1 PRO 32 38.278 -20.092 -7.787 207 HD2 PRO 32 HD2 PRO 32 39.584 -22.575 -6.748 208 HD3 PRO 32 HD1 PRO 32 38.784 -21.264 -5.852 209 H ALA 33 HN ALA 33 37.994 -24.754 -7.574 210 HA ALA 33 HA ALA 33 37.257 -26.306 -9.805 211 HB1 ALA 33 HB1 ALA 33 37.699 -28.144 -7.799 212 HB2 ALA 33 HB2 ALA 33 38.606 -26.738 -7.242 213 HB3 ALA 33 HB3 ALA 33 38.946 -27.435 -8.826 214 H ILE 34 HN ILE 34 36.150 -26.788 -6.445 215 HA ILE 34 HA ILE 34 33.975 -28.429 -7.123 216 HB ILE 34 HB ILE 34 35.115 -27.302 -4.759 217 HG12 ILE 34 HG12 ILE 34 34.728 -29.693 -5.244 218 HG13 ILE 34 HG11 ILE 34 34.013 -29.219 -3.705 219 HG21 ILE 34 HG21 ILE 34 33.088 -26.933 -3.407 220 HG22 ILE 34 HG22 ILE 34 32.085 -27.076 -4.844 221 HG23 ILE 34 HG23 ILE 34 33.222 -25.732 -4.686 222 HD11 ILE 34 HD11 ILE 34 32.083 -28.791 -5.796 223 HD12 ILE 34 HD12 ILE 34 31.983 -29.881 -4.414 224 HD13 ILE 34 HD13 ILE 34 32.713 -30.433 -5.921 225 H TYR 35 HN TYR 35 34.222 -24.930 -6.692 226 HA TYR 35 HA TYR 35 31.558 -24.198 -6.735 227 HB2 TYR 35 HB2 TYR 35 34.038 -22.895 -7.024 228 HB3 TYR 35 HB1 TYR 35 33.074 -22.416 -8.419 229 HD1 TYR 35 HD1 TYR 35 30.512 -21.896 -7.842 230 HD2 TYR 35 HD2 TYR 35 33.773 -21.666 -5.054 231 HE1 TYR 35 HE1 TYR 35 29.182 -20.369 -6.411 232 HE2 TYR 35 HE2 TYR 35 32.443 -20.140 -3.624 233 HH TYR 35 HH TYR 35 30.539 -18.555 -3.903 234 H MET 36 HN MET 36 33.701 -24.484 -9.578 235 HA MET 36 HA MET 36 31.921 -23.967 -11.592 236 HB2 MET 36 HB2 MET 36 34.306 -25.739 -11.369 237 HB3 MET 36 HB1 MET 36 33.288 -25.907 -12.800 238 HG2 MET 36 HG2 MET 36 34.328 -23.238 -11.826 239 HG3 MET 36 HG1 MET 36 35.177 -24.223 -13.017 240 HE1 MET 36 HE1 MET 36 32.378 -21.058 -13.913 241 HE2 MET 36 HE2 MET 36 33.854 -21.244 -12.969 242 HE3 MET 36 HE3 MET 36 32.312 -21.761 -12.291 243 H LEU 37 HN LEU 37 32.638 -27.263 -10.420 244 HA LEU 37 HA LEU 37 30.689 -28.643 -11.792 245 HB2 LEU 37 HB2 LEU 37 32.400 -29.739 -10.414 246 HB3 LEU 37 HB1 LEU 37 31.614 -29.143 -8.952 247 HG LEU 37 HG LEU 37 29.737 -30.508 -10.721 248 HD11 LEU 37 HD11 LEU 37 30.690 -32.799 -10.155 249 HD12 LEU 37 HD12 LEU 37 32.193 -31.978 -9.733 250 HD13 LEU 37 HD13 LEU 37 31.578 -31.898 -11.384 251 HD21 LEU 37 HD21 LEU 37 29.330 -29.940 -8.346 252 HD22 LEU 37 HD22 LEU 37 30.655 -31.001 -7.869 253 HD23 LEU 37 HD23 LEU 37 29.208 -31.680 -8.613 254 H VAL 38 HN VAL 38 30.335 -26.605 -8.964 255 HA VAL 38 HA VAL 38 27.511 -27.365 -8.691 256 HB VAL 38 HB VAL 38 29.300 -25.614 -6.990 257 HG11 VAL 38 HG11 VAL 38 27.209 -25.991 -5.414 258 HG12 VAL 38 HG12 VAL 38 26.356 -26.183 -6.946 259 HG13 VAL 38 HG13 VAL 38 27.209 -24.680 -6.593 260 HG21 VAL 38 HG21 VAL 38 28.098 -28.375 -6.608 261 HG22 VAL 38 HG22 VAL 38 28.940 -27.474 -5.347 262 HG23 VAL 38 HG23 VAL 38 29.809 -27.990 -6.791 263 H PHE 39 HN PHE 39 29.367 -25.166 -10.368 264 HA PHE 39 HA PHE 39 27.455 -22.962 -10.223 265 HB2 PHE 39 HB2 PHE 39 30.032 -22.735 -10.380 266 HB3 PHE 39 HB1 PHE 39 29.808 -23.110 -12.089 267 HD1 PHE 39 HD2 PHE 39 28.423 -21.633 -13.532 268 HD2 PHE 39 HD1 PHE 39 29.338 -20.619 -9.459 269 HE1 PHE 39 HE2 PHE 39 27.748 -19.287 -13.966 270 HE2 PHE 39 HE1 PHE 39 28.662 -18.272 -9.892 271 HZ PHE 39 HZ PHE 39 27.868 -17.606 -12.145 272 H LEU 40 HN LEU 40 28.933 -24.907 -12.832 273 HA LEU 40 HA LEU 40 27.007 -24.127 -14.772 274 HB2 LEU 40 HB2 LEU 40 27.938 -26.153 -16.032 275 HB3 LEU 40 HB1 LEU 40 29.079 -24.873 -15.627 276 HG LEU 40 HG LEU 40 28.888 -26.800 -13.462 277 HD11 LEU 40 HD11 LEU 40 29.898 -28.705 -14.633 278 HD12 LEU 40 HD12 LEU 40 29.771 -27.847 -16.169 279 HD13 LEU 40 HD13 LEU 40 28.312 -28.350 -15.316 280 HD21 LEU 40 HD21 LEU 40 31.314 -26.781 -13.716 281 HD22 LEU 40 HD22 LEU 40 30.711 -25.132 -13.888 282 HD23 LEU 40 HD23 LEU 40 31.171 -26.057 -15.317 283 H LEU 41 HN LEU 41 26.674 -26.066 -12.101 284 HA LEU 41 HA LEU 41 24.408 -27.530 -13.324 285 HB2 LEU 41 HB2 LEU 41 26.142 -28.463 -11.026 286 HB3 LEU 41 HB1 LEU 41 24.799 -29.347 -11.745 287 HG LEU 41 HG LEU 41 27.331 -28.526 -13.198 288 HD11 LEU 41 HD11 LEU 41 26.468 -31.346 -12.605 289 HD12 LEU 41 HD12 LEU 41 27.365 -30.424 -11.400 290 HD13 LEU 41 HD13 LEU 41 28.078 -30.737 -12.982 291 HD21 LEU 41 HD21 LEU 41 25.831 -28.689 -14.941 292 HD22 LEU 41 HD22 LEU 41 24.737 -29.739 -14.042 293 HD23 LEU 41 HD23 LEU 41 26.203 -30.402 -14.761 294 H GLY 42 HN GLY 42 25.329 -25.150 -11.177 295 HA2 GLY 42 HA2 GLY 42 22.727 -25.320 -9.800 296 HA3 GLY 42 HA1 GLY 42 24.193 -25.094 -8.852 297 H THR 43 HN THR 43 24.203 -23.620 -11.952 298 HA THR 43 HA THR 43 23.042 -21.115 -11.089 299 HB THR 43 HB THR 43 26.024 -21.264 -11.604 300 HG1 THR 43 HG1 THR 43 24.504 -21.476 -9.375 301 HG21 THR 43 HG21 THR 43 24.048 -19.061 -11.498 302 HG22 THR 43 HG22 THR 43 25.616 -19.132 -12.298 303 HG23 THR 43 HG23 THR 43 25.524 -18.802 -10.569 304 H THR 44 HN THR 44 23.073 -23.225 -13.298 305 HA THR 44 HA THR 44 23.229 -21.318 -15.552 306 HB THR 44 HB THR 44 24.271 -24.128 -15.349 307 HG1 THR 44 HG1 THR 44 25.198 -21.613 -15.791 308 HG21 THR 44 HG21 THR 44 22.902 -24.410 -17.236 309 HG22 THR 44 HG22 THR 44 24.439 -23.903 -17.935 310 HG23 THR 44 HG23 THR 44 23.123 -22.741 -17.762 311 H GLY 45 HN GLY 45 21.904 -24.430 -14.450 312 HA2 GLY 45 HA2 GLY 45 19.500 -23.931 -16.100 313 HA3 GLY 45 HA1 GLY 45 20.055 -25.522 -15.589 314 H ASN 46 HN ASN 46 20.617 -23.618 -13.012 315 HA ASN 46 HA ASN 46 18.057 -24.358 -11.754 316 HB2 ASN 46 HB2 ASN 46 19.339 -25.087 -10.072 317 HB3 ASN 46 HB1 ASN 46 20.784 -24.551 -10.926 318 HD21 ASN 46 HD21 ASN 46 21.591 -22.360 -10.453 319 HD22 ASN 46 HD22 ASN 46 21.116 -21.553 -9.037 320 H GLY 47 HN GLY 47 20.460 -21.717 -11.705 321 HA2 GLY 47 HA2 GLY 47 18.799 -19.856 -10.368 322 HA3 GLY 47 HA1 GLY 47 20.230 -19.460 -11.316 323 H LEU 48 HN LEU 48 19.728 -20.016 -13.816 324 HA LEU 48 HA LEU 48 18.177 -18.006 -14.839 325 HB2 LEU 48 HB2 LEU 48 19.754 -19.463 -16.139 326 HB3 LEU 48 HB1 LEU 48 18.517 -20.718 -16.139 327 HG LEU 48 HG LEU 48 16.946 -19.125 -17.250 328 HD11 LEU 48 HD11 LEU 48 17.585 -16.947 -16.846 329 HD12 LEU 48 HD12 LEU 48 18.381 -17.177 -18.402 330 HD13 LEU 48 HD13 LEU 48 19.307 -17.325 -16.910 331 HD21 LEU 48 HD21 LEU 48 17.806 -20.412 -18.925 332 HD22 LEU 48 HD22 LEU 48 19.471 -20.144 -18.410 333 HD23 LEU 48 HD23 LEU 48 18.639 -18.926 -19.376 334 H VAL 49 HN VAL 49 17.151 -21.370 -14.267 335 HA VAL 49 HA VAL 49 14.496 -21.051 -15.160 336 HB VAL 49 HB VAL 49 15.873 -23.006 -13.342 337 HG11 VAL 49 HG11 VAL 49 13.580 -24.238 -13.502 338 HG12 VAL 49 HG12 VAL 49 12.918 -22.631 -13.797 339 HG13 VAL 49 HG13 VAL 49 13.770 -22.971 -12.291 340 HG21 VAL 49 HG21 VAL 49 14.389 -23.257 -15.980 341 HG22 VAL 49 HG22 VAL 49 15.253 -24.555 -15.155 342 HG23 VAL 49 HG23 VAL 49 16.142 -23.175 -15.801 343 H LEU 50 HN LEU 50 15.544 -21.439 -11.771 344 HA LEU 50 HA LEU 50 13.188 -20.565 -10.580 345 HB2 LEU 50 HB2 LEU 50 16.022 -20.254 -9.557 346 HB3 LEU 50 HB1 LEU 50 14.564 -20.136 -8.573 347 HG LEU 50 HG LEU 50 15.384 -22.582 -10.173 348 HD11 LEU 50 HD11 LEU 50 15.467 -23.382 -7.606 349 HD12 LEU 50 HD12 LEU 50 15.906 -21.689 -7.381 350 HD13 LEU 50 HD13 LEU 50 16.876 -22.718 -8.434 351 HD21 LEU 50 HD21 LEU 50 13.088 -22.829 -9.972 352 HD22 LEU 50 HD22 LEU 50 13.002 -21.852 -8.507 353 HD23 LEU 50 HD23 LEU 50 13.593 -23.511 -8.426 354 H TRP 51 HN TRP 51 15.630 -18.755 -12.200 355 HA TRP 51 HA TRP 51 14.918 -16.218 -10.976 356 HB2 TRP 51 HB2 TRP 51 17.218 -16.513 -11.656 357 HB3 TRP 51 HB1 TRP 51 16.724 -16.924 -13.298 358 HD1 TRP 51 HD1 TRP 51 17.067 -13.978 -10.911 359 HE1 TRP 51 HE1 TRP 51 16.861 -11.786 -12.255 360 HE3 TRP 51 HE3 TRP 51 15.694 -15.855 -15.457 361 HZ2 TRP 51 HZ2 TRP 51 16.202 -10.942 -14.907 362 HZ3 TRP 51 HZ3 TRP 51 15.284 -14.338 -17.373 363 HH2 TRP 51 HH2 TRP 51 15.536 -11.886 -17.103 364 H THR 52 HN THR 52 14.475 -17.848 -14.099 365 HA THR 52 HA THR 52 13.026 -15.704 -15.307 366 HB THR 52 HB THR 52 13.327 -18.634 -15.967 367 HG1 THR 52 HG1 THR 52 14.170 -16.230 -17.214 368 HG21 THR 52 HG21 THR 52 12.271 -17.773 -18.207 369 HG22 THR 52 HG22 THR 52 11.559 -16.530 -17.179 370 HG23 THR 52 HG23 THR 52 11.214 -18.234 -16.873 371 H VAL 53 HN VAL 53 12.030 -18.804 -13.856 372 HA VAL 53 HA VAL 53 9.275 -18.549 -14.213 373 HB VAL 53 HB VAL 53 10.889 -19.910 -12.053 374 HG11 VAL 53 HG11 VAL 53 8.632 -21.146 -11.709 375 HG12 VAL 53 HG12 VAL 53 7.908 -19.733 -12.476 376 HG13 VAL 53 HG13 VAL 53 8.819 -19.553 -10.977 377 HG21 VAL 53 HG21 VAL 53 9.180 -21.326 -14.044 378 HG22 VAL 53 HG22 VAL 53 10.752 -21.782 -13.386 379 HG23 VAL 53 HG23 VAL 53 10.647 -20.562 -14.656 380 H PHE 54 HN PHE 54 11.337 -17.396 -11.566 381 HA PHE 54 HA PHE 54 9.297 -16.385 -9.913 382 HB2 PHE 54 HB2 PHE 54 12.223 -15.968 -10.196 383 HB3 PHE 54 HB1 PHE 54 11.323 -14.719 -9.334 384 HD1 PHE 54 HD2 PHE 54 10.638 -18.385 -9.523 385 HD2 PHE 54 HD1 PHE 54 11.861 -15.084 -7.061 386 HE1 PHE 54 HE2 PHE 54 10.531 -19.841 -7.516 387 HE2 PHE 54 HE1 PHE 54 11.755 -16.539 -5.056 388 HZ PHE 54 HZ PHE 54 11.089 -18.917 -5.284 389 H ARG 55 HN ARG 55 10.443 -15.326 -12.944 390 HA ARG 55 HA ARG 55 9.340 -12.620 -12.546 391 HB2 ARG 55 HB2 ARG 55 11.476 -13.758 -14.231 392 HB3 ARG 55 HB1 ARG 55 10.443 -12.578 -15.036 393 HG2 ARG 55 HG2 ARG 55 10.957 -10.882 -13.467 394 HG3 ARG 55 HG1 ARG 55 11.603 -12.039 -12.304 395 HD2 ARG 55 HD2 ARG 55 13.153 -10.567 -13.993 396 HD3 ARG 55 HD1 ARG 55 13.638 -12.119 -13.316 397 HE ARG 55 HE ARG 55 13.334 -13.085 -15.418 398 HH11 ARG 55 HH21 ARG 55 12.007 -9.892 -15.268 399 HH12 ARG 55 HH22 ARG 55 11.725 -9.780 -16.973 400 HH21 ARG 55 HH11 ARG 55 12.965 -12.945 -17.656 401 HH22 ARG 55 HH12 ARG 55 12.267 -11.508 -18.324 402 H LYS 56 HN LYS 56 8.451 -15.625 -13.674 403 HA LYS 56 HA LYS 56 6.602 -14.496 -15.682 404 HB2 LYS 56 HB2 LYS 56 6.919 -16.340 -16.940 405 HB3 LYS 56 HB1 LYS 56 8.328 -16.624 -15.923 406 HG2 LYS 56 HG2 LYS 56 6.832 -17.947 -14.365 407 HG3 LYS 56 HG1 LYS 56 5.549 -17.797 -15.569 408 HD2 LYS 56 HD2 LYS 56 7.902 -18.665 -16.927 409 HD3 LYS 56 HD1 LYS 56 7.693 -19.685 -15.503 410 HE2 LYS 56 HE2 LYS 56 6.470 -20.593 -17.456 411 HE3 LYS 56 HE1 LYS 56 5.369 -20.147 -16.151 412 HZ1 LYS 56 HZ1 LYS 56 4.678 -18.259 -17.268 413 HZ2 LYS 56 HZ2 LYS 56 4.825 -19.393 -18.523 414 HZ3 LYS 56 HZ3 LYS 56 6.034 -18.223 -18.286 415 H LYS 57 HN LYS 57 6.841 -16.189 -12.655 416 HA LYS 57 HA LYS 57 3.922 -16.592 -12.589 417 HB2 LYS 57 HB2 LYS 57 5.717 -18.414 -11.985 418 HB3 LYS 57 HB1 LYS 57 5.775 -17.558 -10.444 419 HG2 LYS 57 HG2 LYS 57 3.179 -17.719 -10.512 420 HG3 LYS 57 HG1 LYS 57 3.444 -18.978 -11.719 421 HD2 LYS 57 HD2 LYS 57 5.224 -19.755 -9.821 422 HD3 LYS 57 HD1 LYS 57 3.990 -19.010 -8.806 423 HE2 LYS 57 HE2 LYS 57 3.486 -21.390 -9.124 424 HE3 LYS 57 HE1 LYS 57 2.260 -20.401 -9.918 425 HZ1 LYS 57 HZ1 LYS 57 3.090 -20.880 -11.996 426 HZ2 LYS 57 HZ2 LYS 57 3.314 -22.358 -11.191 427 HZ3 LYS 57 HZ3 LYS 57 4.628 -21.303 -11.417 428 H GLY 58 HN GLY 58 6.551 -14.828 -11.117 429 HA2 GLY 58 HA2 GLY 58 4.941 -13.831 -8.919 430 HA3 GLY 58 HA1 GLY 58 6.595 -13.367 -9.301 431 H HIS 59 HN HIS 59 5.895 -12.809 -12.121 432 HA HIS 59 HA HIS 59 5.428 -10.059 -11.932 433 HB2 HIS 59 HB2 HIS 59 6.462 -11.118 -13.895 434 HB3 HIS 59 HB1 HIS 59 4.924 -11.883 -14.295 435 HD2 HIS 59 HD2 HIS 59 4.562 -8.230 -13.084 436 HE1 HIS 59 HE1 HIS 59 4.299 -8.154 -17.298 437 HE2 HIS 59 HE2 HIS 59 3.995 -6.781 -15.182 438 H HIS 60 HN HIS 60 3.184 -12.693 -12.761 439 HA HIS 60 HA HIS 60 0.928 -10.869 -12.865 440 HB2 HIS 60 HB2 HIS 60 1.280 -13.829 -13.262 441 HB3 HIS 60 HB1 HIS 60 -0.328 -13.124 -13.097 442 HD2 HIS 60 HD2 HIS 60 2.323 -13.612 -15.820 443 HE1 HIS 60 HE1 HIS 60 -0.347 -10.692 -17.292 444 HE2 HIS 60 HE2 HIS 60 1.571 -12.240 -17.909 445 H HIS 61 HN HIS 61 0.440 -13.951 -11.401 446 HA HIS 61 HA HIS 61 -0.421 -14.575 -9.372 447 HB2 HIS 61 HB2 HIS 61 1.892 -13.910 -8.704 448 HB3 HIS 61 HB1 HIS 61 1.271 -12.308 -8.308 449 HD2 HIS 61 HD2 HIS 61 1.102 -15.974 -6.899 450 HE1 HIS 61 HE1 HIS 61 -0.825 -13.420 -4.145 451 HE2 HIS 61 HE2 HIS 61 0.006 -15.787 -4.536 452 H HIS 62 HN HIS 62 -0.059 -11.127 -8.614 453 HA HIS 62 HA HIS 62 -2.949 -11.027 -8.060 454 HB2 HIS 62 HB2 HIS 62 -0.571 -9.820 -6.852 455 HB3 HIS 62 HB1 HIS 62 -1.874 -8.664 -7.130 456 HD2 HIS 62 HD2 HIS 62 -0.927 -10.650 -4.240 457 HE1 HIS 62 HE1 HIS 62 -5.112 -11.203 -4.355 458 HE2 HIS 62 HE2 HIS 62 -3.033 -11.449 -2.917 459 H HIS 63 HN HIS 63 -4.292 -9.683 -9.135 460 HA HIS 63 HA HIS 63 -5.038 -8.435 -10.921 461 HB2 HIS 63 HB2 HIS 63 -3.972 -6.773 -9.226 462 HB3 HIS 63 HB1 HIS 63 -2.687 -6.629 -10.426 463 HD2 HIS 63 HD2 HIS 63 -6.670 -6.320 -10.570 464 HE1 HIS 63 HE1 HIS 63 -4.946 -3.569 -13.268 465 HE2 HIS 63 HE2 HIS 63 -7.135 -4.424 -12.305 466 H HIS 64 HN HIS 64 -3.334 -10.569 -11.636 467 HA HIS 64 HA HIS 64 -1.888 -11.316 -13.280 468 HB2 HIS 64 HB2 HIS 64 -2.652 -10.728 -15.503 469 HB3 HIS 64 HB1 HIS 64 -4.055 -10.884 -14.446 470 HD2 HIS 64 HD2 HIS 64 -2.113 -8.074 -16.382 471 HE1 HIS 64 HE1 HIS 64 -5.534 -6.329 -14.629 472 HE2 HIS 64 HE2 HIS 64 -3.593 -5.929 -16.217 Start of MODEL 27 1 H1 MET 1 HT1 MET 1 55.859 9.663 -6.508 2 H2 MET 1 HT2 MET 1 57.498 9.841 -6.915 3 H3 MET 1 HT3 MET 1 57.043 9.608 -5.295 4 HA MET 1 HA MET 1 57.697 7.674 -7.205 5 HB2 MET 1 HB2 MET 1 57.030 6.208 -5.126 6 HB3 MET 1 HB1 MET 1 58.415 7.296 -5.015 7 HG2 MET 1 HG2 MET 1 57.323 8.770 -3.625 8 HG3 MET 1 HG1 MET 1 55.742 8.422 -4.326 9 HE1 MET 1 HE1 MET 1 55.652 8.798 -1.442 10 HE2 MET 1 HE2 MET 1 57.374 8.480 -1.246 11 HE3 MET 1 HE3 MET 1 56.201 7.526 -0.341 12 H GLU 2 HN GLU 2 55.163 6.738 -5.067 13 HA GLU 2 HA GLU 2 53.633 5.602 -7.213 14 HB2 GLU 2 HB2 GLU 2 52.813 5.919 -4.319 15 HB3 GLU 2 HB1 GLU 2 52.182 4.758 -5.489 16 HG2 GLU 2 HG2 GLU 2 54.854 4.222 -5.622 17 HG3 GLU 2 HG1 GLU 2 54.691 4.685 -3.930 18 H GLU 3 HN GLU 3 51.804 6.334 -8.163 19 HA GLU 3 HA GLU 3 50.091 8.315 -7.076 20 HB2 GLU 3 HB2 GLU 3 52.241 9.610 -7.771 21 HB3 GLU 3 HB1 GLU 3 51.652 9.369 -9.416 22 HG2 GLU 3 HG2 GLU 3 50.718 11.442 -8.775 23 HG3 GLU 3 HG1 GLU 3 49.403 10.289 -8.546 24 H GLY 4 HN GLY 4 48.395 7.081 -7.755 25 HA2 GLY 4 HA2 GLY 4 47.312 7.406 -10.285 26 HA3 GLY 4 HA1 GLY 4 48.207 5.890 -10.339 27 H GLY 5 HN GLY 5 47.775 5.025 -7.696 28 HA2 GLY 5 HA2 GLY 5 44.916 4.317 -7.853 29 HA3 GLY 5 HA1 GLY 5 46.162 3.368 -7.048 30 H ASP 6 HN ASP 6 45.908 6.846 -6.714 31 HA ASP 6 HA ASP 6 45.620 8.171 -4.857 32 HB2 ASP 6 HB2 ASP 6 43.283 6.945 -5.303 33 HB3 ASP 6 HB1 ASP 6 43.637 6.270 -3.713 34 H PHE 7 HN PHE 7 47.747 6.369 -4.656 35 HA PHE 7 HA PHE 7 49.140 5.327 -3.145 36 HB2 PHE 7 HB2 PHE 7 48.866 7.708 -2.243 37 HB3 PHE 7 HB1 PHE 7 47.749 7.015 -1.068 38 HD1 PHE 7 HD2 PHE 7 51.211 6.625 -2.433 39 HD2 PHE 7 HD1 PHE 7 48.563 6.001 0.892 40 HE1 PHE 7 HE2 PHE 7 53.128 5.884 -1.043 41 HE2 PHE 7 HE1 PHE 7 50.480 5.261 2.280 42 HZ PHE 7 HZ PHE 7 52.762 5.202 1.312 43 H ASP 8 HN ASP 8 47.184 3.627 -3.701 44 HA ASP 8 HA ASP 8 46.810 2.215 -1.191 45 HB2 ASP 8 HB2 ASP 8 44.816 3.647 -1.259 46 HB3 ASP 8 HB1 ASP 8 44.429 3.039 -2.868 47 H ASN 9 HN ASN 9 48.458 1.407 -3.116 48 HA ASN 9 HA ASN 9 48.948 -0.254 -4.630 49 HB2 ASN 9 HB2 ASN 9 47.752 -1.354 -2.462 50 HB3 ASN 9 HB1 ASN 9 46.678 -1.921 -3.741 51 HD21 ASN 9 HD21 ASN 9 50.205 -1.699 -3.000 52 HD22 ASN 9 HD22 ASN 9 50.604 -3.151 -3.784 53 H TYR 10 HN TYR 10 47.822 -1.889 -6.248 54 HA TYR 10 HA TYR 10 46.652 -0.467 -8.287 55 HB2 TYR 10 HB2 TYR 10 47.526 -2.908 -8.245 56 HB3 TYR 10 HB1 TYR 10 45.874 -3.332 -7.797 57 HD1 TYR 10 HD1 TYR 10 47.914 -1.578 -10.376 58 HD2 TYR 10 HD2 TYR 10 44.133 -3.370 -9.410 59 HE1 TYR 10 HE1 TYR 10 47.219 -1.391 -12.749 60 HE2 TYR 10 HE2 TYR 10 43.437 -3.184 -11.782 61 HH TYR 10 HH TYR 10 43.968 -1.929 -13.759 62 H TYR 11 HN TYR 11 45.072 0.959 -7.501 63 HA TYR 11 HA TYR 11 42.997 1.633 -6.735 64 HB2 TYR 11 HB2 TYR 11 42.405 -0.721 -8.527 65 HB3 TYR 11 HB1 TYR 11 41.122 0.254 -7.807 66 HD1 TYR 11 HD1 TYR 11 44.207 0.480 -9.902 67 HD2 TYR 11 HD2 TYR 11 40.507 2.332 -8.747 68 HE1 TYR 11 HE1 TYR 11 44.512 2.192 -11.670 69 HE2 TYR 11 HE2 TYR 11 40.811 4.044 -10.515 70 HH TYR 11 HH TYR 11 42.604 3.787 -13.031 71 H GLY 12 HN GLY 12 44.386 0.072 -4.853 72 HA2 GLY 12 HA2 GLY 12 44.102 -1.271 -2.992 73 HA3 GLY 12 HA1 GLY 12 42.545 -0.451 -2.902 74 H ALA 13 HN ALA 13 43.875 -2.836 -5.191 75 HA ALA 13 HA ALA 13 41.640 -4.648 -4.501 76 HB1 ALA 13 HB1 ALA 13 40.987 -3.806 -6.597 77 HB2 ALA 13 HB2 ALA 13 41.801 -5.320 -6.991 78 HB3 ALA 13 HB3 ALA 13 42.642 -3.785 -7.205 79 H ASP 14 HN ASP 14 44.976 -4.232 -5.452 80 HA ASP 14 HA ASP 14 45.465 -7.109 -5.513 81 HB2 ASP 14 HB2 ASP 14 47.016 -4.658 -6.203 82 HB3 ASP 14 HB1 ASP 14 47.917 -6.103 -5.750 83 H ASN 15 HN ASN 15 45.849 -4.375 -3.387 84 HA ASN 15 HA ASN 15 47.807 -5.281 -1.632 85 HB2 ASN 15 HB2 ASN 15 46.339 -3.069 -1.705 86 HB3 ASN 15 HB1 ASN 15 45.389 -3.943 -0.505 87 HD21 ASN 15 HD21 ASN 15 47.832 -1.737 -0.681 88 HD22 ASN 15 HD22 ASN 15 48.685 -2.134 0.731 89 H GLN 16 HN GLN 16 44.566 -6.405 -2.112 90 HA GLN 16 HA GLN 16 44.674 -8.012 0.354 91 HB2 GLN 16 HB2 GLN 16 42.336 -8.272 0.175 92 HB3 GLN 16 HB1 GLN 16 42.625 -6.598 -0.299 93 HG2 GLN 16 HG2 GLN 16 41.277 -7.266 -2.053 94 HG3 GLN 16 HG1 GLN 16 42.856 -7.689 -2.713 95 HE21 GLN 16 HE21 GLN 16 42.504 -9.632 -3.827 96 HE22 GLN 16 HE22 GLN 16 41.739 -10.992 -3.160 97 H SER 17 HN SER 17 45.151 -8.212 -3.014 98 HA SER 17 HA SER 17 44.499 -11.029 -3.250 99 HB2 SER 17 HB2 SER 17 44.329 -9.278 -5.118 100 HB3 SER 17 HB1 SER 17 46.084 -9.391 -5.224 101 HG SER 17 HG SER 17 44.857 -10.846 -6.619 102 H GLU 18 HN GLU 18 47.384 -9.019 -2.932 103 HA GLU 18 HA GLU 18 49.354 -10.933 -3.430 104 HB2 GLU 18 HB2 GLU 18 49.314 -8.545 -1.582 105 HB3 GLU 18 HB1 GLU 18 50.757 -9.523 -1.847 106 HG2 GLU 18 HG2 GLU 18 50.608 -9.089 -4.274 107 HG3 GLU 18 HG1 GLU 18 49.172 -8.100 -4.006 108 H CYS 19 HN CYS 19 48.376 -9.851 -0.171 109 HA CYS 19 HA CYS 19 49.571 -11.753 1.362 110 HB2 CYS 19 HB2 CYS 19 46.744 -10.745 1.763 111 HB3 CYS 19 HB1 CYS 19 47.788 -11.437 3.004 112 HG CYS 19 HG CYS 19 49.025 -9.286 3.182 113 H GLU 20 HN GLU 20 46.797 -12.178 -0.720 114 HA GLU 20 HA GLU 20 46.296 -14.876 0.296 115 HB2 GLU 20 HB2 GLU 20 44.930 -13.372 -1.949 116 HB3 GLU 20 HB1 GLU 20 44.381 -14.874 -1.203 117 HG2 GLU 20 HG2 GLU 20 44.773 -12.284 0.319 118 HG3 GLU 20 HG1 GLU 20 43.221 -12.816 -0.328 119 H TYR 21 HN TYR 21 47.812 -13.239 -2.378 120 HA TYR 21 HA TYR 21 47.864 -15.179 -4.348 121 HB2 TYR 21 HB2 TYR 21 48.805 -12.927 -4.641 122 HB3 TYR 21 HB1 TYR 21 50.121 -13.329 -3.539 123 HD1 TYR 21 HD2 TYR 21 51.722 -15.183 -4.143 124 HD2 TYR 21 HD1 TYR 21 48.845 -13.619 -6.922 125 HE1 TYR 21 HE2 TYR 21 52.991 -16.188 -6.022 126 HE2 TYR 21 HE1 TYR 21 50.114 -14.624 -8.801 127 HH TYR 21 HH TYR 21 52.654 -15.318 -9.139 128 H THR 22 HN THR 22 49.609 -15.058 -1.320 129 HA THR 22 HA THR 22 51.399 -17.226 -2.017 130 HB THR 22 HB THR 22 51.986 -17.083 0.445 131 HG1 THR 22 HG1 THR 22 49.863 -16.130 0.926 132 HG21 THR 22 HG21 THR 22 53.096 -14.869 0.190 133 HG22 THR 22 HG22 THR 22 52.109 -14.567 -1.241 134 HG23 THR 22 HG23 THR 22 53.283 -15.884 -1.241 135 H ASP 23 HN ASP 23 48.208 -16.915 -0.841 136 HA ASP 23 HA ASP 23 48.226 -19.598 0.360 137 HB2 ASP 23 HB2 ASP 23 47.003 -18.306 1.807 138 HB3 ASP 23 HB1 ASP 23 46.448 -17.217 0.536 139 H TRP 24 HN TRP 24 46.304 -17.714 -1.989 140 HA TRP 24 HA TRP 24 44.654 -19.644 -2.993 141 HB2 TRP 24 HB2 TRP 24 44.215 -17.724 -4.117 142 HB3 TRP 24 HB1 TRP 24 45.901 -17.208 -4.088 143 HD1 TRP 24 HD1 TRP 24 43.502 -19.481 -6.034 144 HE1 TRP 24 HE1 TRP 24 44.500 -19.914 -8.372 145 HE3 TRP 24 HE3 TRP 24 48.051 -17.226 -5.484 146 HZ2 TRP 24 HZ2 TRP 24 46.909 -19.376 -9.817 147 HZ3 TRP 24 HZ3 TRP 24 49.677 -17.201 -7.355 148 HH2 TRP 24 HH2 TRP 24 49.112 -18.272 -9.519 149 H LYS 25 HN LYS 25 48.051 -19.105 -3.861 150 HA LYS 25 HA LYS 25 48.359 -20.864 -5.957 151 HB2 LYS 25 HB2 LYS 25 50.116 -19.354 -4.893 152 HB3 LYS 25 HB1 LYS 25 50.367 -20.643 -3.715 153 HG2 LYS 25 HG2 LYS 25 50.903 -22.219 -5.514 154 HG3 LYS 25 HG1 LYS 25 50.591 -20.971 -6.721 155 HD2 LYS 25 HD2 LYS 25 52.736 -20.322 -6.542 156 HD3 LYS 25 HD1 LYS 25 52.413 -19.844 -4.874 157 HE2 LYS 25 HE2 LYS 25 54.254 -21.419 -4.857 158 HE3 LYS 25 HE1 LYS 25 52.838 -22.226 -4.183 159 HZ1 LYS 25 HZ1 LYS 25 54.356 -22.944 -6.437 160 HZ2 LYS 25 HZ2 LYS 25 52.775 -22.587 -6.942 161 HZ3 LYS 25 HZ3 LYS 25 53.042 -23.760 -5.744 162 H SER 26 HN SER 26 47.975 -21.579 -2.548 163 HA SER 26 HA SER 26 48.373 -24.450 -3.074 164 HB2 SER 26 HB2 SER 26 48.487 -22.737 -0.626 165 HB3 SER 26 HB1 SER 26 48.072 -24.439 -0.451 166 HG SER 26 HG SER 26 50.121 -24.180 -2.153 167 H SER 27 HN SER 27 46.041 -22.146 -1.712 168 HA SER 27 HA SER 27 44.018 -24.252 -1.513 169 HB2 SER 27 HB2 SER 27 43.295 -21.442 -0.941 170 HB3 SER 27 HB1 SER 27 42.942 -22.907 -0.029 171 HG SER 27 HG SER 27 45.290 -21.339 -0.079 172 H GLY 28 HN GLY 28 45.030 -23.367 -4.123 173 HA2 GLY 28 HA2 GLY 28 42.469 -22.442 -5.284 174 HA3 GLY 28 HA1 GLY 28 44.013 -21.815 -5.849 175 H ALA 29 HN ALA 29 43.757 -25.137 -4.880 176 HA ALA 29 HA ALA 29 43.601 -26.003 -7.696 177 HB1 ALA 29 HB1 ALA 29 45.356 -27.777 -6.961 178 HB2 ALA 29 HB2 ALA 29 45.736 -26.631 -5.677 179 HB3 ALA 29 HB3 ALA 29 45.911 -26.153 -7.365 180 H LEU 30 HN LEU 30 41.892 -26.027 -5.114 181 HA LEU 30 HA LEU 30 40.962 -28.773 -5.491 182 HB2 LEU 30 HB2 LEU 30 40.745 -28.935 -2.922 183 HB3 LEU 30 HB1 LEU 30 42.336 -29.202 -3.636 184 HG LEU 30 HG LEU 30 41.754 -26.379 -3.028 185 HD11 LEU 30 HD11 LEU 30 42.134 -26.677 -0.589 186 HD12 LEU 30 HD12 LEU 30 42.026 -28.424 -0.803 187 HD13 LEU 30 HD13 LEU 30 40.618 -27.409 -1.115 188 HD21 LEU 30 HD21 LEU 30 43.960 -27.252 -3.754 189 HD22 LEU 30 HD22 LEU 30 44.026 -28.262 -2.309 190 HD23 LEU 30 HD23 LEU 30 44.055 -26.505 -2.160 191 H ILE 31 HN ILE 31 40.484 -25.573 -4.077 192 HA ILE 31 HA ILE 31 37.728 -25.987 -3.437 193 HB ILE 31 HB ILE 31 38.866 -23.264 -3.929 194 HG12 ILE 31 HG12 ILE 31 39.622 -25.198 -1.729 195 HG13 ILE 31 HG11 ILE 31 40.697 -24.269 -2.775 196 HG21 ILE 31 HG21 ILE 31 37.279 -22.607 -2.388 197 HG22 ILE 31 HG22 ILE 31 37.362 -24.127 -1.498 198 HG23 ILE 31 HG23 ILE 31 36.477 -24.043 -3.022 199 HD11 ILE 31 HD11 ILE 31 40.768 -22.925 -0.901 200 HD12 ILE 31 HD12 ILE 31 39.146 -23.383 -0.384 201 HD13 ILE 31 HD13 ILE 31 39.359 -22.222 -1.694 202 HA PRO 32 HA PRO 32 37.223 -23.517 -7.644 203 HB2 PRO 32 HB2 PRO 32 39.248 -24.964 -9.250 204 HB3 PRO 32 HB1 PRO 32 38.857 -23.235 -9.220 205 HG2 PRO 32 HG2 PRO 32 41.107 -24.205 -8.146 206 HG3 PRO 32 HG1 PRO 32 40.255 -22.811 -7.460 207 HD2 PRO 32 HD2 PRO 32 40.329 -25.641 -6.491 208 HD3 PRO 32 HD1 PRO 32 40.268 -24.132 -5.556 209 H ALA 33 HN ALA 33 38.141 -26.883 -7.291 210 HA ALA 33 HA ALA 33 36.751 -28.013 -9.442 211 HB1 ALA 33 HB1 ALA 33 37.195 -29.182 -6.684 212 HB2 ALA 33 HB2 ALA 33 38.329 -29.274 -8.031 213 HB3 ALA 33 HB3 ALA 33 36.769 -30.090 -8.135 214 H ILE 34 HN ILE 34 35.631 -28.120 -6.055 215 HA ILE 34 HA ILE 34 32.993 -28.799 -6.594 216 HB ILE 34 HB ILE 34 34.360 -27.408 -4.323 217 HG12 ILE 34 HG12 ILE 34 34.128 -29.989 -4.885 218 HG13 ILE 34 HG11 ILE 34 34.003 -29.421 -3.221 219 HG21 ILE 34 HG21 ILE 34 32.340 -26.188 -4.251 220 HG22 ILE 34 HG22 ILE 34 32.047 -27.542 -3.163 221 HG23 ILE 34 HG23 ILE 34 31.382 -27.566 -4.796 222 HD11 ILE 34 HD11 ILE 34 31.553 -29.653 -4.967 223 HD12 ILE 34 HD12 ILE 34 31.649 -29.607 -3.207 224 HD13 ILE 34 HD13 ILE 34 32.176 -31.044 -4.082 225 H TYR 35 HN TYR 35 34.479 -25.594 -6.346 226 HA TYR 35 HA TYR 35 32.176 -24.028 -6.579 227 HB2 TYR 35 HB2 TYR 35 35.039 -23.649 -6.803 228 HB3 TYR 35 HB1 TYR 35 34.179 -22.679 -7.999 229 HD1 TYR 35 HD1 TYR 35 32.502 -21.009 -7.303 230 HD2 TYR 35 HD2 TYR 35 34.775 -23.248 -4.428 231 HE1 TYR 35 HE1 TYR 35 31.822 -19.417 -5.526 232 HE2 TYR 35 HE2 TYR 35 34.097 -21.656 -2.651 233 HH TYR 35 HH TYR 35 31.940 -18.906 -3.375 234 H MET 36 HN MET 36 34.475 -24.792 -9.201 235 HA MET 36 HA MET 36 33.095 -23.855 -11.357 236 HB2 MET 36 HB2 MET 36 34.958 -26.140 -10.960 237 HB3 MET 36 HB1 MET 36 34.075 -26.069 -12.485 238 HG2 MET 36 HG2 MET 36 36.347 -24.859 -12.400 239 HG3 MET 36 HG1 MET 36 34.979 -23.949 -13.041 240 HE1 MET 36 HE1 MET 36 35.659 -21.676 -12.765 241 HE2 MET 36 HE2 MET 36 35.223 -20.826 -11.285 242 HE3 MET 36 HE3 MET 36 34.032 -21.843 -12.092 243 H LEU 37 HN LEU 37 32.817 -27.202 -10.143 244 HA LEU 37 HA LEU 37 30.785 -28.089 -11.781 245 HB2 LEU 37 HB2 LEU 37 31.973 -29.538 -10.185 246 HB3 LEU 37 HB1 LEU 37 31.181 -28.718 -8.842 247 HG LEU 37 HG LEU 37 28.975 -29.463 -9.687 248 HD11 LEU 37 HD11 LEU 37 29.262 -31.404 -11.477 249 HD12 LEU 37 HD12 LEU 37 30.700 -30.483 -11.916 250 HD13 LEU 37 HD13 LEU 37 29.111 -29.724 -11.991 251 HD21 LEU 37 HD21 LEU 37 29.400 -31.179 -8.289 252 HD22 LEU 37 HD22 LEU 37 31.111 -31.173 -8.718 253 HD23 LEU 37 HD23 LEU 37 29.963 -32.094 -9.689 254 H VAL 38 HN VAL 38 30.526 -26.276 -8.744 255 HA VAL 38 HA VAL 38 27.627 -26.155 -8.959 256 HB VAL 38 HB VAL 38 29.556 -24.921 -6.979 257 HG11 VAL 38 HG11 VAL 38 26.594 -24.730 -7.352 258 HG12 VAL 38 HG12 VAL 38 27.729 -23.518 -6.756 259 HG13 VAL 38 HG13 VAL 38 27.216 -24.840 -5.705 260 HG21 VAL 38 HG21 VAL 38 28.943 -26.700 -5.530 261 HG22 VAL 38 HG22 VAL 38 29.202 -27.477 -7.092 262 HG23 VAL 38 HG23 VAL 38 27.562 -27.148 -6.533 263 H PHE 39 HN PHE 39 30.055 -24.578 -10.496 264 HA PHE 39 HA PHE 39 28.763 -21.938 -10.425 265 HB2 PHE 39 HB2 PHE 39 31.324 -22.317 -10.248 266 HB3 PHE 39 HB1 PHE 39 31.242 -22.598 -11.987 267 HD1 PHE 39 HD1 PHE 39 29.953 -20.167 -9.430 268 HD2 PHE 39 HD2 PHE 39 31.481 -20.759 -13.403 269 HE1 PHE 39 HE1 PHE 39 29.883 -17.719 -9.824 270 HE2 PHE 39 HE2 PHE 39 31.409 -18.313 -13.795 271 HZ PHE 39 HZ PHE 39 30.611 -16.793 -12.006 272 H LEU 40 HN LEU 40 29.408 -24.667 -12.534 273 HA LEU 40 HA LEU 40 28.276 -23.285 -14.839 274 HB2 LEU 40 HB2 LEU 40 28.774 -25.399 -16.044 275 HB3 LEU 40 HB1 LEU 40 30.194 -24.719 -15.252 276 HG LEU 40 HG LEU 40 29.168 -26.326 -13.269 277 HD11 LEU 40 HD11 LEU 40 27.546 -27.163 -15.106 278 HD12 LEU 40 HD12 LEU 40 28.419 -28.379 -14.176 279 HD13 LEU 40 HD13 LEU 40 28.958 -27.956 -15.801 280 HD21 LEU 40 HD21 LEU 40 31.494 -26.318 -13.769 281 HD22 LEU 40 HD22 LEU 40 31.217 -26.825 -15.435 282 HD23 LEU 40 HD23 LEU 40 30.966 -27.965 -14.114 283 H LEU 41 HN LEU 41 27.337 -25.543 -12.377 284 HA LEU 41 HA LEU 41 24.804 -26.075 -13.793 285 HB2 LEU 41 HB2 LEU 41 24.780 -28.147 -12.866 286 HB3 LEU 41 HB1 LEU 41 26.497 -27.857 -12.645 287 HG LEU 41 HG LEU 41 25.883 -26.849 -10.356 288 HD11 LEU 41 HD11 LEU 41 23.704 -26.766 -9.762 289 HD12 LEU 41 HD12 LEU 41 23.582 -28.512 -9.963 290 HD13 LEU 41 HD13 LEU 41 23.246 -27.444 -11.323 291 HD21 LEU 41 HD21 LEU 41 26.934 -29.081 -10.725 292 HD22 LEU 41 HD22 LEU 41 25.324 -29.792 -10.810 293 HD23 LEU 41 HD23 LEU 41 25.882 -29.047 -9.311 294 H GLY 42 HN GLY 42 26.214 -24.664 -10.926 295 HA2 GLY 42 HA2 GLY 42 23.605 -24.183 -9.708 296 HA3 GLY 42 HA1 GLY 42 25.170 -23.762 -9.023 297 H THR 43 HN THR 43 25.295 -22.765 -12.157 298 HA THR 43 HA THR 43 24.061 -20.140 -11.604 299 HB THR 43 HB THR 43 26.582 -20.069 -13.128 300 HG1 THR 43 HG1 THR 43 26.912 -20.138 -10.383 301 HG21 THR 43 HG21 THR 43 26.834 -17.995 -11.989 302 HG22 THR 43 HG22 THR 43 25.707 -18.472 -10.719 303 HG23 THR 43 HG23 THR 43 25.111 -18.127 -12.343 304 H THR 44 HN THR 44 23.582 -22.633 -13.363 305 HA THR 44 HA THR 44 23.171 -21.123 -15.873 306 HB THR 44 HB THR 44 23.917 -24.049 -15.675 307 HG1 THR 44 HG1 THR 44 25.373 -21.709 -15.923 308 HG21 THR 44 HG21 THR 44 22.573 -23.665 -17.618 309 HG22 THR 44 HG22 THR 44 24.247 -23.695 -18.171 310 HG23 THR 44 HG23 THR 44 23.410 -22.155 -17.977 311 H GLY 45 HN GLY 45 22.162 -23.891 -13.888 312 HA2 GLY 45 HA2 GLY 45 19.513 -23.819 -15.184 313 HA3 GLY 45 HA1 GLY 45 20.159 -25.167 -14.253 314 H ASN 46 HN ASN 46 21.042 -22.506 -12.578 315 HA ASN 46 HA ASN 46 18.749 -22.769 -10.755 316 HB2 ASN 46 HB2 ASN 46 21.616 -21.986 -10.436 317 HB3 ASN 46 HB1 ASN 46 20.434 -21.348 -9.293 318 HD21 ASN 46 HD21 ASN 46 21.642 -24.441 -10.663 319 HD22 ASN 46 HD22 ASN 46 21.219 -25.376 -9.312 320 H GLY 47 HN GLY 47 20.794 -20.267 -12.255 321 HA2 GLY 47 HA2 GLY 47 19.233 -18.066 -11.356 322 HA3 GLY 47 HA1 GLY 47 20.415 -18.031 -12.661 323 H LEU 48 HN LEU 48 19.433 -19.708 -14.521 324 HA LEU 48 HA LEU 48 17.549 -18.233 -15.911 325 HB2 LEU 48 HB2 LEU 48 18.985 -20.039 -16.876 326 HB3 LEU 48 HB1 LEU 48 17.946 -21.230 -16.100 327 HG LEU 48 HG LEU 48 15.996 -20.310 -17.353 328 HD11 LEU 48 HD11 LEU 48 16.397 -18.118 -17.951 329 HD12 LEU 48 HD12 LEU 48 16.889 -18.908 -19.449 330 HD13 LEU 48 HD13 LEU 48 18.106 -18.406 -18.277 331 HD21 LEU 48 HD21 LEU 48 16.667 -22.091 -18.597 332 HD22 LEU 48 HD22 LEU 48 18.360 -21.601 -18.552 333 HD23 LEU 48 HD23 LEU 48 17.261 -20.870 -19.722 334 H VAL 49 HN VAL 49 17.004 -21.125 -13.901 335 HA VAL 49 HA VAL 49 14.223 -21.281 -14.245 336 HB VAL 49 HB VAL 49 16.095 -22.201 -12.079 337 HG11 VAL 49 HG11 VAL 49 13.946 -23.509 -11.333 338 HG12 VAL 49 HG12 VAL 49 13.088 -22.173 -12.100 339 HG13 VAL 49 HG13 VAL 49 14.191 -21.859 -10.762 340 HG21 VAL 49 HG21 VAL 49 14.298 -23.641 -14.058 341 HG22 VAL 49 HG22 VAL 49 15.431 -24.408 -12.945 342 HG23 VAL 49 HG23 VAL 49 16.033 -23.393 -14.255 343 H LEU 50 HN LEU 50 15.806 -20.220 -11.233 344 HA LEU 50 HA LEU 50 13.709 -19.033 -9.975 345 HB2 LEU 50 HB2 LEU 50 16.620 -18.299 -10.079 346 HB3 LEU 50 HB1 LEU 50 15.490 -17.321 -9.141 347 HG LEU 50 HG LEU 50 15.400 -20.292 -8.806 348 HD11 LEU 50 HD11 LEU 50 17.163 -20.139 -7.064 349 HD12 LEU 50 HD12 LEU 50 17.471 -18.470 -7.542 350 HD13 LEU 50 HD13 LEU 50 17.799 -19.785 -8.670 351 HD21 LEU 50 HD21 LEU 50 15.307 -18.234 -6.627 352 HD22 LEU 50 HD22 LEU 50 14.429 -19.757 -6.762 353 HD23 LEU 50 HD23 LEU 50 13.932 -18.366 -7.723 354 H TRP 51 HN TRP 51 15.472 -17.790 -12.734 355 HA TRP 51 HA TRP 51 14.313 -15.155 -12.616 356 HB2 TRP 51 HB2 TRP 51 16.463 -15.413 -13.681 357 HB3 TRP 51 HB1 TRP 51 15.816 -16.618 -14.796 358 HD1 TRP 51 HD1 TRP 51 15.824 -12.877 -14.083 359 HE1 TRP 51 HE1 TRP 51 14.866 -11.634 -16.129 360 HE3 TRP 51 HE3 TRP 51 14.211 -16.851 -16.856 361 HZ2 TRP 51 HZ2 TRP 51 13.586 -12.244 -18.613 362 HZ3 TRP 51 HZ3 TRP 51 13.128 -16.491 -19.056 363 HH2 TRP 51 HH2 TRP 51 12.814 -14.196 -19.937 364 H THR 52 HN THR 52 13.848 -18.001 -14.715 365 HA THR 52 HA THR 52 11.751 -16.951 -16.260 366 HB THR 52 HB THR 52 12.461 -19.791 -15.511 367 HG1 THR 52 HG1 THR 52 13.767 -19.552 -17.115 368 HG21 THR 52 HG21 THR 52 10.171 -19.958 -16.040 369 HG22 THR 52 HG22 THR 52 10.977 -20.277 -17.577 370 HG23 THR 52 HG23 THR 52 10.271 -18.691 -17.263 371 H VAL 53 HN VAL 53 11.684 -18.876 -13.271 372 HA VAL 53 HA VAL 53 8.885 -19.078 -13.050 373 HB VAL 53 HB VAL 53 11.117 -19.194 -11.029 374 HG11 VAL 53 HG11 VAL 53 9.219 -20.173 -9.550 375 HG12 VAL 53 HG12 VAL 53 8.131 -19.297 -10.627 376 HG13 VAL 53 HG13 VAL 53 9.339 -18.418 -9.689 377 HG21 VAL 53 HG21 VAL 53 10.516 -21.010 -12.837 378 HG22 VAL 53 HG22 VAL 53 9.177 -21.375 -11.748 379 HG23 VAL 53 HG23 VAL 53 10.840 -21.512 -11.178 380 H PHE 54 HN PHE 54 11.153 -16.784 -11.524 381 HA PHE 54 HA PHE 54 9.361 -15.245 -10.095 382 HB2 PHE 54 HB2 PHE 54 11.995 -14.731 -11.378 383 HB3 PHE 54 HB1 PHE 54 11.056 -13.324 -10.878 384 HD1 PHE 54 HD2 PHE 54 11.235 -16.734 -9.356 385 HD2 PHE 54 HD1 PHE 54 12.092 -12.549 -8.909 386 HE1 PHE 54 HE2 PHE 54 11.903 -17.123 -6.999 387 HE2 PHE 54 HE1 PHE 54 12.760 -12.937 -6.552 388 HZ PHE 54 HZ PHE 54 12.666 -15.224 -5.598 389 H ARG 55 HN ARG 55 9.410 -15.724 -13.430 390 HA ARG 55 HA ARG 55 7.954 -13.208 -13.954 391 HB2 ARG 55 HB2 ARG 55 9.658 -14.998 -15.627 392 HB3 ARG 55 HB1 ARG 55 8.343 -14.123 -16.413 393 HG2 ARG 55 HG2 ARG 55 9.261 -12.038 -15.939 394 HG3 ARG 55 HG1 ARG 55 10.168 -12.639 -14.551 395 HD2 ARG 55 HD2 ARG 55 11.382 -12.108 -16.860 396 HD3 ARG 55 HD1 ARG 55 11.890 -13.458 -15.850 397 HE ARG 55 HE ARG 55 11.005 -14.930 -17.437 398 HH11 ARG 55 HH21 ARG 55 10.091 -11.651 -18.057 399 HH12 ARG 55 HH22 ARG 55 9.450 -11.981 -19.632 400 HH21 ARG 55 HH11 ARG 55 10.166 -15.372 -19.501 401 HH22 ARG 55 HH12 ARG 55 9.493 -14.088 -20.450 402 H LYS 56 HN LYS 56 7.606 -16.610 -13.662 403 HA LYS 56 HA LYS 56 5.041 -16.580 -15.103 404 HB2 LYS 56 HB2 LYS 56 5.378 -18.769 -15.565 405 HB3 LYS 56 HB1 LYS 56 7.051 -18.431 -15.133 406 HG2 LYS 56 HG2 LYS 56 6.448 -19.047 -12.739 407 HG3 LYS 56 HG1 LYS 56 4.895 -19.619 -13.360 408 HD2 LYS 56 HD2 LYS 56 6.801 -20.755 -15.068 409 HD3 LYS 56 HD1 LYS 56 7.493 -20.914 -13.454 410 HE2 LYS 56 HE2 LYS 56 6.067 -22.855 -14.010 411 HE3 LYS 56 HE1 LYS 56 5.409 -21.947 -12.649 412 HZ1 LYS 56 HZ1 LYS 56 3.816 -22.608 -14.496 413 HZ2 LYS 56 HZ2 LYS 56 4.564 -21.401 -15.427 414 HZ3 LYS 56 HZ3 LYS 56 3.772 -20.994 -13.980 415 H LYS 57 HN LYS 57 6.438 -16.809 -11.931 416 HA LYS 57 HA LYS 57 3.808 -17.411 -10.750 417 HB2 LYS 57 HB2 LYS 57 5.362 -18.867 -9.793 418 HB3 LYS 57 HB1 LYS 57 6.640 -17.653 -9.781 419 HG2 LYS 57 HG2 LYS 57 5.726 -16.532 -7.919 420 HG3 LYS 57 HG1 LYS 57 4.144 -17.284 -8.132 421 HD2 LYS 57 HD2 LYS 57 5.106 -19.478 -7.531 422 HD3 LYS 57 HD1 LYS 57 6.681 -18.719 -7.300 423 HE2 LYS 57 HE2 LYS 57 4.202 -17.851 -5.797 424 HE3 LYS 57 HE1 LYS 57 5.328 -19.058 -5.175 425 HZ1 LYS 57 HZ1 LYS 57 6.174 -17.140 -4.288 426 HZ2 LYS 57 HZ2 LYS 57 5.744 -16.185 -5.625 427 HZ3 LYS 57 HZ3 LYS 57 7.074 -17.237 -5.722 428 H GLY 58 HN GLY 58 6.221 -14.936 -11.101 429 HA2 GLY 58 HA2 GLY 58 5.224 -13.261 -8.969 430 HA3 GLY 58 HA1 GLY 58 6.424 -12.815 -10.181 431 H HIS 59 HN HIS 59 4.657 -13.663 -12.397 432 HA HIS 59 HA HIS 59 3.458 -11.197 -12.988 433 HB2 HIS 59 HB2 HIS 59 3.284 -12.150 -15.007 434 HB3 HIS 59 HB1 HIS 59 3.868 -13.659 -14.307 435 HD2 HIS 59 HD2 HIS 59 1.848 -15.582 -13.761 436 HE1 HIS 59 HE1 HIS 59 -1.342 -13.354 -15.400 437 HE2 HIS 59 HE2 HIS 59 -0.661 -15.622 -14.483 438 H HIS 60 HN HIS 60 2.433 -13.666 -10.908 439 HA HIS 60 HA HIS 60 -0.212 -12.399 -10.680 440 HB2 HIS 60 HB2 HIS 60 -0.605 -14.375 -12.034 441 HB3 HIS 60 HB1 HIS 60 0.285 -15.377 -10.888 442 HD2 HIS 60 HD2 HIS 60 -2.265 -12.752 -9.478 443 HE1 HIS 60 HE1 HIS 60 -3.916 -16.597 -8.926 444 HE2 HIS 60 HE2 HIS 60 -4.198 -14.131 -8.392 445 H HIS 61 HN HIS 61 0.355 -11.424 -8.750 446 HA HIS 61 HA HIS 61 1.434 -13.054 -6.580 447 HB2 HIS 61 HB2 HIS 61 1.623 -10.971 -5.360 448 HB3 HIS 61 HB1 HIS 61 2.255 -10.730 -6.988 449 HD2 HIS 61 HD2 HIS 61 0.785 -8.918 -8.575 450 HE1 HIS 61 HE1 HIS 61 -2.160 -8.023 -5.684 451 HE2 HIS 61 HE2 HIS 61 -1.238 -7.385 -7.963 452 H HIS 62 HN HIS 62 -1.130 -13.836 -7.469 453 HA HIS 62 HA HIS 62 -3.120 -14.516 -6.535 454 HB2 HIS 62 HB2 HIS 62 -2.530 -13.060 -3.988 455 HB3 HIS 62 HB1 HIS 62 -3.307 -14.624 -4.229 456 HD2 HIS 62 HD2 HIS 62 0.192 -13.227 -3.461 457 HE1 HIS 62 HE1 HIS 62 0.732 -17.272 -4.539 458 HE2 HIS 62 HE2 HIS 62 1.865 -15.229 -3.544 459 H HIS 63 HN HIS 63 -5.072 -13.664 -6.907 460 HA HIS 63 HA HIS 63 -6.673 -12.095 -7.413 461 HB2 HIS 63 HB2 HIS 63 -6.349 -12.005 -4.819 462 HB3 HIS 63 HB1 HIS 63 -5.626 -10.430 -5.150 463 HD2 HIS 63 HD2 HIS 63 -9.123 -12.212 -5.802 464 HE1 HIS 63 HE1 HIS 63 -9.672 -8.027 -5.878 465 HE2 HIS 63 HE2 HIS 63 -10.858 -10.270 -5.990 466 H HIS 64 HN HIS 64 -4.772 -11.799 -9.166 467 HA HIS 64 HA HIS 64 -3.126 -9.662 -9.374 468 HB2 HIS 64 HB2 HIS 64 -4.431 -9.635 -11.839 469 HB3 HIS 64 HB1 HIS 64 -3.017 -10.600 -11.412 470 HD2 HIS 64 HD2 HIS 64 -6.971 -11.090 -11.141 471 HE1 HIS 64 HE1 HIS 64 -5.126 -14.850 -11.670 472 HE2 HIS 64 HE2 HIS 64 -7.355 -13.656 -11.442 Start of MODEL 28 1 H1 MET 1 HT1 MET 1 18.383 -16.022 -14.722 2 H2 MET 1 HT2 MET 1 19.892 -16.803 -14.747 3 H3 MET 1 HT3 MET 1 18.829 -16.963 -16.062 4 HA MET 1 HA MET 1 20.655 -15.418 -16.536 5 HB2 MET 1 HB2 MET 1 17.783 -14.854 -16.684 6 HB3 MET 1 HB1 MET 1 18.771 -13.394 -16.742 7 HG2 MET 1 HG2 MET 1 18.384 -14.349 -19.006 8 HG3 MET 1 HG1 MET 1 20.095 -14.329 -18.579 9 HE1 MET 1 HE1 MET 1 19.365 -17.555 -20.765 10 HE2 MET 1 HE2 MET 1 20.103 -15.956 -20.734 11 HE3 MET 1 HE3 MET 1 18.349 -16.107 -20.779 12 H GLU 2 HN GLU 2 22.131 -14.656 -15.109 13 HA GLU 2 HA GLU 2 21.305 -12.403 -13.403 14 HB2 GLU 2 HB2 GLU 2 22.922 -13.330 -11.652 15 HB3 GLU 2 HB1 GLU 2 21.380 -14.169 -11.820 16 HG2 GLU 2 HG2 GLU 2 23.769 -15.055 -13.421 17 HG3 GLU 2 HG1 GLU 2 23.574 -15.583 -11.751 18 H GLU 3 HN GLU 3 22.543 -12.249 -15.911 19 HA GLU 3 HA GLU 3 25.355 -12.131 -15.841 20 HB2 GLU 3 HB2 GLU 3 24.105 -12.100 -17.942 21 HB3 GLU 3 HB1 GLU 3 23.404 -10.538 -17.519 22 HG2 GLU 3 HG2 GLU 3 25.288 -9.404 -18.079 23 HG3 GLU 3 HG1 GLU 3 26.341 -10.614 -17.349 24 H GLY 4 HN GLY 4 25.511 -11.182 -13.617 25 HA2 GLY 4 HA2 GLY 4 26.389 -9.403 -12.415 26 HA3 GLY 4 HA1 GLY 4 26.153 -8.375 -13.825 27 H GLY 5 HN GLY 5 24.409 -9.970 -11.175 28 HA2 GLY 5 HA2 GLY 5 22.730 -7.597 -10.874 29 HA3 GLY 5 HA1 GLY 5 21.896 -9.104 -11.246 30 H ASP 6 HN ASP 6 24.814 -8.982 -9.315 31 HA ASP 6 HA ASP 6 23.383 -9.085 -6.793 32 HB2 ASP 6 HB2 ASP 6 25.022 -11.485 -7.623 33 HB3 ASP 6 HB1 ASP 6 24.047 -11.297 -6.165 34 H PHE 7 HN PHE 7 25.043 -7.139 -7.351 35 HA PHE 7 HA PHE 7 27.757 -7.835 -6.507 36 HB2 PHE 7 HB2 PHE 7 26.567 -5.173 -7.322 37 HB3 PHE 7 HB1 PHE 7 28.273 -5.484 -7.006 38 HD1 PHE 7 HD1 PHE 7 29.343 -7.476 -8.355 39 HD2 PHE 7 HD2 PHE 7 25.750 -5.419 -9.505 40 HE1 PHE 7 HE1 PHE 7 29.637 -8.263 -10.688 41 HE2 PHE 7 HE2 PHE 7 26.045 -6.208 -11.837 42 HZ PHE 7 HZ PHE 7 27.988 -7.630 -12.428 43 H ASP 8 HN ASP 8 28.173 -7.953 -4.403 44 HA ASP 8 HA ASP 8 27.028 -5.907 -2.617 45 HB2 ASP 8 HB2 ASP 8 27.271 -8.802 -1.806 46 HB3 ASP 8 HB1 ASP 8 26.425 -7.502 -0.966 47 H ASN 9 HN ASN 9 29.642 -6.144 -3.866 48 HA ASN 9 HA ASN 9 31.614 -7.231 -2.216 49 HB2 ASN 9 HB2 ASN 9 31.629 -4.841 -4.059 50 HB3 ASN 9 HB1 ASN 9 33.076 -5.393 -3.215 51 HD21 ASN 9 HD21 ASN 9 32.630 -5.454 -6.145 52 HD22 ASN 9 HD22 ASN 9 32.725 -7.087 -6.602 53 H TYR 10 HN TYR 10 33.334 -5.301 -1.401 54 HA TYR 10 HA TYR 10 33.831 -4.054 0.464 55 HB2 TYR 10 HB2 TYR 10 32.446 -2.496 -1.131 56 HB3 TYR 10 HB1 TYR 10 31.224 -2.624 0.135 57 HD1 TYR 10 HD2 TYR 10 32.024 -2.201 2.581 58 HD2 TYR 10 HD1 TYR 10 34.199 -0.951 -0.906 59 HE1 TYR 10 HE2 TYR 10 33.260 -0.540 3.947 60 HE2 TYR 10 HE1 TYR 10 35.435 0.710 0.460 61 HH TYR 10 HH TYR 10 35.051 0.850 3.971 62 H TYR 11 HN TYR 11 33.771 -5.235 2.287 63 HA TYR 11 HA TYR 11 33.005 -6.119 4.263 64 HB2 TYR 11 HB2 TYR 11 32.097 -3.736 4.429 65 HB3 TYR 11 HB1 TYR 11 30.548 -4.402 3.911 66 HD1 TYR 11 HD1 TYR 11 33.244 -4.828 6.469 67 HD2 TYR 11 HD2 TYR 11 29.114 -5.442 5.460 68 HE1 TYR 11 HE1 TYR 11 32.792 -5.588 8.785 69 HE2 TYR 11 HE2 TYR 11 28.661 -6.202 7.778 70 HH TYR 11 HH TYR 11 29.501 -6.516 9.804 71 H GLY 12 HN GLY 12 32.695 -7.890 2.406 72 HA2 GLY 12 HA2 GLY 12 30.674 -9.597 3.164 73 HA3 GLY 12 HA1 GLY 12 29.999 -8.666 1.832 74 H ALA 13 HN ALA 13 32.776 -8.397 0.699 75 HA ALA 13 HA ALA 13 32.863 -11.045 -0.608 76 HB1 ALA 13 HB1 ALA 13 32.471 -9.415 -2.266 77 HB2 ALA 13 HB2 ALA 13 34.207 -9.711 -2.358 78 HB3 ALA 13 HB3 ALA 13 33.601 -8.274 -1.535 79 H ASP 14 HN ASP 14 34.619 -8.796 1.327 80 HA ASP 14 HA ASP 14 37.127 -10.300 0.947 81 HB2 ASP 14 HB2 ASP 14 36.704 -7.690 2.418 82 HB3 ASP 14 HB1 ASP 14 38.245 -8.423 1.974 83 H ASN 15 HN ASN 15 34.504 -9.840 3.086 84 HA ASN 15 HA ASN 15 35.766 -10.384 5.559 85 HB2 ASN 15 HB2 ASN 15 32.970 -10.421 4.527 86 HB3 ASN 15 HB1 ASN 15 33.300 -11.266 6.038 87 HD21 ASN 15 HD21 ASN 15 33.721 -9.994 7.916 88 HD22 ASN 15 HD22 ASN 15 33.697 -8.297 7.907 89 H GLN 16 HN GLN 16 34.638 -12.404 2.947 90 HA GLN 16 HA GLN 16 35.061 -14.838 4.537 91 HB2 GLN 16 HB2 GLN 16 34.098 -15.988 2.542 92 HB3 GLN 16 HB1 GLN 16 33.010 -14.788 3.242 93 HG2 GLN 16 HG2 GLN 16 32.969 -13.634 1.314 94 HG3 GLN 16 HG1 GLN 16 34.728 -13.516 1.310 95 HE21 GLN 16 HE21 GLN 16 35.941 -15.220 0.171 96 HE22 GLN 16 HE22 GLN 16 35.169 -16.217 -0.966 97 H SER 17 HN SER 17 37.032 -12.825 3.064 98 HA SER 17 HA SER 17 38.709 -14.960 1.882 99 HB2 SER 17 HB2 SER 17 39.460 -13.494 0.211 100 HB3 SER 17 HB1 SER 17 37.736 -13.153 0.308 101 HG SER 17 HG SER 17 39.834 -11.728 1.593 102 H GLU 18 HN GLU 18 38.841 -11.712 3.355 103 HA GLU 18 HA GLU 18 41.560 -11.713 4.001 104 HB2 GLU 18 HB2 GLU 18 41.121 -9.821 5.267 105 HB3 GLU 18 HB1 GLU 18 39.728 -9.839 4.187 106 HG2 GLU 18 HG2 GLU 18 38.593 -11.271 6.036 107 HG3 GLU 18 HG1 GLU 18 39.873 -10.655 7.082 108 H CYS 19 HN CYS 19 38.874 -13.339 5.489 109 HA CYS 19 HA CYS 19 40.319 -13.925 7.944 110 HB2 CYS 19 HB2 CYS 19 37.870 -13.568 7.970 111 HB3 CYS 19 HB1 CYS 19 37.666 -14.985 6.940 112 HG CYS 19 HG CYS 19 38.300 -15.036 9.940 113 H GLU 20 HN GLU 20 39.451 -15.528 4.933 114 HA GLU 20 HA GLU 20 40.660 -18.039 5.841 115 HB2 GLU 20 HB2 GLU 20 39.465 -17.484 3.127 116 HB3 GLU 20 HB1 GLU 20 39.697 -19.043 3.917 117 HG2 GLU 20 HG2 GLU 20 37.776 -16.855 4.756 118 HG3 GLU 20 HG1 GLU 20 37.354 -18.433 4.095 119 H TYR 21 HN TYR 21 41.678 -15.195 4.539 120 HA TYR 21 HA TYR 21 43.313 -15.726 2.394 121 HB2 TYR 21 HB2 TYR 21 42.964 -13.497 3.462 122 HB3 TYR 21 HB1 TYR 21 44.055 -13.988 4.757 123 HD1 TYR 21 HD2 TYR 21 46.441 -14.653 4.163 124 HD2 TYR 21 HD1 TYR 21 43.797 -12.712 1.389 125 HE1 TYR 21 HE2 TYR 21 48.384 -14.004 2.765 126 HE2 TYR 21 HE1 TYR 21 45.740 -12.063 -0.010 127 HH TYR 21 HH TYR 21 49.010 -12.455 1.096 128 H THR 22 HN THR 22 43.772 -16.621 5.745 129 HA THR 22 HA THR 22 46.529 -17.401 5.412 130 HB THR 22 HB THR 22 46.305 -18.297 7.684 131 HG1 THR 22 HG1 THR 22 44.305 -19.108 7.794 132 HG21 THR 22 HG21 THR 22 46.096 -16.226 8.744 133 HG22 THR 22 HG22 THR 22 44.784 -15.707 7.685 134 HG23 THR 22 HG23 THR 22 46.440 -15.752 7.081 135 H ASP 23 HN ASP 23 43.439 -18.853 4.924 136 HA ASP 23 HA ASP 23 44.624 -21.547 4.793 137 HB2 ASP 23 HB2 ASP 23 42.062 -20.526 5.594 138 HB3 ASP 23 HB1 ASP 23 41.851 -21.650 4.253 139 H TRP 24 HN TRP 24 42.334 -19.545 2.913 140 HA TRP 24 HA TRP 24 42.109 -20.934 0.602 141 HB2 TRP 24 HB2 TRP 24 40.973 -18.992 0.331 142 HB3 TRP 24 HB1 TRP 24 42.144 -18.062 1.267 143 HD1 TRP 24 HD1 TRP 24 41.262 -19.093 -2.254 144 HE1 TRP 24 HE1 TRP 24 42.835 -17.904 -3.914 145 HE3 TRP 24 HE3 TRP 24 44.638 -17.087 1.011 146 HZ2 TRP 24 HZ2 TRP 24 45.211 -16.311 -3.864 147 HZ3 TRP 24 HZ3 TRP 24 46.543 -15.739 0.179 148 HH2 TRP 24 HH2 TRP 24 46.835 -15.350 -2.252 149 H LYS 25 HN LYS 25 44.886 -18.914 1.504 150 HA LYS 25 HA LYS 25 46.354 -18.981 -0.831 151 HB2 LYS 25 HB2 LYS 25 46.896 -17.857 1.430 152 HB3 LYS 25 HB1 LYS 25 47.670 -19.387 1.844 153 HG2 LYS 25 HG2 LYS 25 48.956 -19.189 -0.343 154 HG3 LYS 25 HG1 LYS 25 48.350 -17.536 -0.450 155 HD2 LYS 25 HD2 LYS 25 50.322 -17.131 0.681 156 HD3 LYS 25 HD1 LYS 25 49.263 -17.437 2.058 157 HE2 LYS 25 HE2 LYS 25 49.961 -19.950 1.648 158 HE3 LYS 25 HE1 LYS 25 51.347 -19.217 0.840 159 HZ1 LYS 25 HZ1 LYS 25 51.490 -17.796 2.957 160 HZ2 LYS 25 HZ2 LYS 25 52.045 -19.401 3.018 161 HZ3 LYS 25 HZ3 LYS 25 50.524 -19.000 3.661 162 H SER 26 HN SER 26 46.019 -21.490 1.627 163 HA SER 26 HA SER 26 47.801 -23.258 0.101 164 HB2 SER 26 HB2 SER 26 46.561 -23.521 2.846 165 HB3 SER 26 HB1 SER 26 47.550 -24.765 2.087 166 HG SER 26 HG SER 26 48.376 -22.076 2.467 167 H SER 27 HN SER 27 44.480 -23.083 1.344 168 HA SER 27 HA SER 27 43.786 -25.464 -0.251 169 HB2 SER 27 HB2 SER 27 42.119 -24.046 1.835 170 HB3 SER 27 HB1 SER 27 41.786 -25.610 1.095 171 HG SER 27 HG SER 27 43.004 -25.338 3.274 172 H GLY 28 HN GLY 28 44.270 -23.297 -1.812 173 HA2 GLY 28 HA2 GLY 28 41.559 -22.612 -2.759 174 HA3 GLY 28 HA1 GLY 28 42.774 -21.347 -2.595 175 H ALA 29 HN ALA 29 44.345 -24.144 -3.395 176 HA ALA 29 HA ALA 29 44.417 -23.399 -6.252 177 HB1 ALA 29 HB1 ALA 29 46.600 -24.745 -6.175 178 HB2 ALA 29 HB2 ALA 29 46.441 -24.678 -4.419 179 HB3 ALA 29 HB3 ALA 29 46.594 -23.187 -5.349 180 H LEU 30 HN LEU 30 42.349 -25.067 -5.101 181 HA LEU 30 HA LEU 30 42.383 -27.197 -6.974 182 HB2 LEU 30 HB2 LEU 30 42.440 -29.088 -5.366 183 HB3 LEU 30 HB1 LEU 30 43.974 -28.219 -5.444 184 HG LEU 30 HG LEU 30 42.493 -26.871 -3.484 185 HD11 LEU 30 HD11 LEU 30 41.844 -28.675 -1.930 186 HD12 LEU 30 HD12 LEU 30 42.269 -29.879 -3.147 187 HD13 LEU 30 HD13 LEU 30 40.921 -28.776 -3.430 188 HD21 LEU 30 HD21 LEU 30 44.195 -27.819 -1.967 189 HD22 LEU 30 HD22 LEU 30 44.926 -27.320 -3.491 190 HD23 LEU 30 HD23 LEU 30 44.610 -29.027 -3.183 191 H ILE 31 HN ILE 31 41.041 -25.703 -4.103 192 HA ILE 31 HA ILE 31 38.571 -27.148 -4.168 193 HB ILE 31 HB ILE 31 39.212 -24.516 -2.817 194 HG12 ILE 31 HG12 ILE 31 40.495 -26.783 -2.265 195 HG13 ILE 31 HG11 ILE 31 39.951 -25.714 -0.976 196 HG21 ILE 31 HG21 ILE 31 37.270 -25.351 -1.337 197 HG22 ILE 31 HG22 ILE 31 36.885 -26.428 -2.680 198 HG23 ILE 31 HG23 ILE 31 36.863 -24.680 -2.915 199 HD11 ILE 31 HD11 ILE 31 38.090 -27.077 -0.469 200 HD12 ILE 31 HD12 ILE 31 39.392 -28.229 -0.761 201 HD13 ILE 31 HD13 ILE 31 38.184 -27.933 -2.009 202 HA PRO 32 HA PRO 32 37.145 -22.998 -6.350 203 HB2 PRO 32 HB2 PRO 32 39.377 -22.724 -8.275 204 HB3 PRO 32 HB1 PRO 32 38.533 -21.476 -7.342 205 HG2 PRO 32 HG2 PRO 32 41.028 -22.240 -6.764 206 HG3 PRO 32 HG1 PRO 32 39.876 -21.740 -5.514 207 HD2 PRO 32 HD2 PRO 32 40.784 -24.497 -6.248 208 HD3 PRO 32 HD1 PRO 32 40.386 -23.827 -4.653 209 H ALA 33 HN ALA 33 38.832 -25.740 -7.642 210 HA ALA 33 HA ALA 33 37.792 -25.801 -10.252 211 HB1 ALA 33 HB1 ALA 33 38.157 -28.342 -9.976 212 HB2 ALA 33 HB2 ALA 33 38.787 -27.937 -8.379 213 HB3 ALA 33 HB3 ALA 33 39.563 -27.289 -9.824 214 H ILE 34 HN ILE 34 36.740 -27.929 -7.584 215 HA ILE 34 HA ILE 34 34.325 -28.687 -8.789 216 HB ILE 34 HB ILE 34 35.343 -28.698 -5.969 217 HG12 ILE 34 HG12 ILE 34 34.251 -30.905 -7.738 218 HG13 ILE 34 HG11 ILE 34 35.947 -30.421 -7.738 219 HG21 ILE 34 HG21 ILE 34 33.076 -28.215 -5.501 220 HG22 ILE 34 HG22 ILE 34 33.129 -29.976 -5.482 221 HG23 ILE 34 HG23 ILE 34 32.501 -29.131 -6.895 222 HD11 ILE 34 HD11 ILE 34 35.402 -32.370 -6.215 223 HD12 ILE 34 HD12 ILE 34 34.459 -31.247 -5.236 224 HD13 ILE 34 HD13 ILE 34 36.198 -31.011 -5.421 225 H TYR 35 HN TYR 35 34.990 -26.138 -6.399 226 HA TYR 35 HA TYR 35 32.507 -25.163 -5.862 227 HB2 TYR 35 HB2 TYR 35 35.170 -24.132 -5.806 228 HB3 TYR 35 HB1 TYR 35 34.107 -22.890 -6.468 229 HD1 TYR 35 HD2 TYR 35 34.644 -25.170 -3.583 230 HD2 TYR 35 HD1 TYR 35 32.471 -21.792 -5.107 231 HE1 TYR 35 HE2 TYR 35 33.765 -24.709 -1.310 232 HE2 TYR 35 HE1 TYR 35 31.592 -21.332 -2.835 233 HH TYR 35 HH TYR 35 32.508 -21.903 -0.361 234 H MET 36 HN MET 36 34.491 -24.144 -8.652 235 HA MET 36 HA MET 36 32.469 -22.605 -9.881 236 HB2 MET 36 HB2 MET 36 35.099 -23.725 -10.682 237 HB3 MET 36 HB1 MET 36 33.991 -23.302 -11.987 238 HG2 MET 36 HG2 MET 36 34.653 -21.421 -9.711 239 HG3 MET 36 HG1 MET 36 35.528 -21.428 -11.241 240 HE1 MET 36 HE1 MET 36 33.696 -19.063 -9.741 241 HE2 MET 36 HE2 MET 36 32.619 -20.358 -9.224 242 HE3 MET 36 HE3 MET 36 31.998 -19.058 -10.236 243 H LEU 37 HN LEU 37 33.611 -25.915 -10.541 244 HA LEU 37 HA LEU 37 31.928 -26.600 -12.615 245 HB2 LEU 37 HB2 LEU 37 33.781 -27.988 -11.482 246 HB3 LEU 37 HB1 LEU 37 32.520 -28.517 -10.368 247 HG LEU 37 HG LEU 37 31.206 -28.928 -12.663 248 HD11 LEU 37 HD11 LEU 37 34.050 -29.579 -13.446 249 HD12 LEU 37 HD12 LEU 37 33.295 -28.048 -13.892 250 HD13 LEU 37 HD13 LEU 37 32.610 -29.568 -14.466 251 HD21 LEU 37 HD21 LEU 37 33.238 -30.685 -11.277 252 HD22 LEU 37 HD22 LEU 37 32.235 -31.293 -12.595 253 HD23 LEU 37 HD23 LEU 37 31.482 -30.708 -11.111 254 H VAL 38 HN VAL 38 31.253 -26.578 -9.145 255 HA VAL 38 HA VAL 38 28.558 -27.595 -9.513 256 HB VAL 38 HB VAL 38 30.140 -26.641 -7.130 257 HG11 VAL 38 HG11 VAL 38 27.980 -25.898 -6.554 258 HG12 VAL 38 HG12 VAL 38 28.038 -27.524 -5.875 259 HG13 VAL 38 HG13 VAL 38 27.196 -27.234 -7.397 260 HG21 VAL 38 HG21 VAL 38 30.141 -28.916 -6.510 261 HG22 VAL 38 HG22 VAL 38 30.360 -28.976 -8.258 262 HG23 VAL 38 HG23 VAL 38 28.773 -29.296 -7.556 263 H PHE 39 HN PHE 39 30.120 -24.523 -9.457 264 HA PHE 39 HA PHE 39 27.800 -23.005 -8.667 265 HB2 PHE 39 HB2 PHE 39 30.215 -22.263 -8.395 266 HB3 PHE 39 HB1 PHE 39 30.227 -21.967 -10.133 267 HD1 PHE 39 HD1 PHE 39 28.485 -21.079 -6.960 268 HD2 PHE 39 HD2 PHE 39 29.234 -20.017 -11.055 269 HE1 PHE 39 HE1 PHE 39 27.381 -18.888 -6.595 270 HE2 PHE 39 HE2 PHE 39 28.130 -17.828 -10.689 271 HZ PHE 39 HZ PHE 39 27.203 -17.263 -8.459 272 H LEU 40 HN LEU 40 29.600 -23.228 -11.749 273 HA LEU 40 HA LEU 40 27.601 -21.917 -13.267 274 HB2 LEU 40 HB2 LEU 40 28.825 -22.808 -15.237 275 HB3 LEU 40 HB1 LEU 40 29.893 -22.033 -14.070 276 HG LEU 40 HG LEU 40 29.857 -24.634 -13.167 277 HD11 LEU 40 HD11 LEU 40 30.217 -26.050 -15.149 278 HD12 LEU 40 HD12 LEU 40 29.866 -24.678 -16.201 279 HD13 LEU 40 HD13 LEU 40 28.598 -25.350 -15.175 280 HD21 LEU 40 HD21 LEU 40 31.718 -23.264 -15.130 281 HD22 LEU 40 HD22 LEU 40 32.108 -24.768 -14.297 282 HD23 LEU 40 HD23 LEU 40 31.860 -23.287 -13.372 283 H LEU 41 HN LEU 41 27.591 -24.966 -11.873 284 HA LEU 41 HA LEU 41 26.044 -26.301 -13.931 285 HB2 LEU 41 HB2 LEU 41 27.307 -27.026 -11.404 286 HB3 LEU 41 HB1 LEU 41 25.695 -27.717 -11.566 287 HG LEU 41 HG LEU 41 27.769 -27.880 -13.764 288 HD11 LEU 41 HD11 LEU 41 28.871 -29.335 -12.429 289 HD12 LEU 41 HD12 LEU 41 27.496 -30.414 -12.660 290 HD13 LEU 41 HD13 LEU 41 27.562 -29.360 -11.248 291 HD21 LEU 41 HD21 LEU 41 26.157 -28.976 -14.915 292 HD22 LEU 41 HD22 LEU 41 25.020 -28.394 -13.700 293 HD23 LEU 41 HD23 LEU 41 25.759 -29.985 -13.526 294 H GLY 42 HN GLY 42 25.403 -25.329 -10.561 295 HA2 GLY 42 HA2 GLY 42 22.578 -25.624 -10.784 296 HA3 GLY 42 HA1 GLY 42 23.435 -24.800 -9.484 297 H THR 43 HN THR 43 24.640 -22.701 -10.574 298 HA THR 43 HA THR 43 22.720 -20.755 -10.875 299 HB THR 43 HB THR 43 25.543 -20.889 -11.923 300 HG1 THR 43 HG1 THR 43 24.291 -20.240 -9.602 301 HG21 THR 43 HG21 THR 43 24.560 -19.302 -13.370 302 HG22 THR 43 HG22 THR 43 25.221 -18.327 -12.058 303 HG23 THR 43 HG23 THR 43 23.494 -18.685 -12.108 304 H THR 44 HN THR 44 23.475 -23.201 -13.082 305 HA THR 44 HA THR 44 22.288 -21.704 -15.337 306 HB THR 44 HB THR 44 24.161 -24.056 -15.203 307 HG1 THR 44 HG1 THR 44 24.934 -22.461 -16.997 308 HG21 THR 44 HG21 THR 44 22.278 -23.233 -17.395 309 HG22 THR 44 HG22 THR 44 22.666 -24.853 -16.816 310 HG23 THR 44 HG23 THR 44 23.835 -23.960 -17.790 311 H GLY 45 HN GLY 45 21.960 -24.441 -13.220 312 HA2 GLY 45 HA2 GLY 45 19.520 -25.290 -14.669 313 HA3 GLY 45 HA1 GLY 45 20.527 -26.371 -13.712 314 H ASN 46 HN ASN 46 20.115 -23.237 -12.418 315 HA ASN 46 HA ASN 46 17.853 -24.069 -10.731 316 HB2 ASN 46 HB2 ASN 46 19.074 -24.227 -8.858 317 HB3 ASN 46 HB1 ASN 46 20.526 -24.099 -9.847 318 HD21 ASN 46 HD21 ASN 46 21.356 -21.834 -10.248 319 HD22 ASN 46 HD22 ASN 46 21.041 -20.635 -9.090 320 H GLY 47 HN GLY 47 20.126 -21.466 -11.569 321 HA2 GLY 47 HA2 GLY 47 18.492 -19.343 -10.610 322 HA3 GLY 47 HA1 GLY 47 19.844 -19.184 -11.728 323 H LEU 48 HN LEU 48 19.094 -20.595 -13.899 324 HA LEU 48 HA LEU 48 17.508 -18.914 -15.379 325 HB2 LEU 48 HB2 LEU 48 18.916 -20.779 -16.284 326 HB3 LEU 48 HB1 LEU 48 17.672 -21.913 -15.764 327 HG LEU 48 HG LEU 48 16.014 -20.702 -17.186 328 HD11 LEU 48 HD11 LEU 48 17.339 -19.267 -19.019 329 HD12 LEU 48 HD12 LEU 48 18.406 -18.972 -17.647 330 HD13 LEU 48 HD13 LEU 48 16.701 -18.532 -17.549 331 HD21 LEU 48 HD21 LEU 48 17.366 -21.276 -19.420 332 HD22 LEU 48 HD22 LEU 48 16.785 -22.545 -18.342 333 HD23 LEU 48 HD23 LEU 48 18.467 -22.023 -18.262 334 H VAL 49 HN VAL 49 16.443 -21.939 -13.810 335 HA VAL 49 HA VAL 49 13.723 -21.711 -14.484 336 HB VAL 49 HB VAL 49 15.215 -23.157 -12.315 337 HG11 VAL 49 HG11 VAL 49 13.234 -22.711 -11.134 338 HG12 VAL 49 HG12 VAL 49 12.874 -24.246 -11.924 339 HG13 VAL 49 HG13 VAL 49 12.246 -22.741 -12.595 340 HG21 VAL 49 HG21 VAL 49 14.607 -25.089 -13.572 341 HG22 VAL 49 HG22 VAL 49 15.081 -23.890 -14.775 342 HG23 VAL 49 HG23 VAL 49 13.373 -24.208 -14.472 343 H LEU 50 HN LEU 50 15.087 -21.220 -11.225 344 HA LEU 50 HA LEU 50 12.929 -19.931 -10.087 345 HB2 LEU 50 HB2 LEU 50 15.864 -19.388 -9.575 346 HB3 LEU 50 HB1 LEU 50 14.543 -18.944 -8.497 347 HG LEU 50 HG LEU 50 15.191 -21.778 -9.372 348 HD11 LEU 50 HD11 LEU 50 16.810 -21.658 -7.805 349 HD12 LEU 50 HD12 LEU 50 15.516 -21.544 -6.612 350 HD13 LEU 50 HD13 LEU 50 16.254 -20.077 -7.254 351 HD21 LEU 50 HD21 LEU 50 12.945 -21.898 -8.811 352 HD22 LEU 50 HD22 LEU 50 13.036 -20.524 -7.709 353 HD23 LEU 50 HD23 LEU 50 13.660 -22.096 -7.211 354 H TRP 51 HN TRP 51 15.206 -18.720 -12.401 355 HA TRP 51 HA TRP 51 14.595 -15.930 -11.951 356 HB2 TRP 51 HB2 TRP 51 16.781 -16.481 -12.810 357 HB3 TRP 51 HB1 TRP 51 16.077 -17.365 -14.164 358 HD1 TRP 51 HD1 TRP 51 16.725 -13.846 -12.879 359 HE1 TRP 51 HE1 TRP 51 16.306 -12.166 -14.789 360 HE3 TRP 51 HE3 TRP 51 14.718 -16.972 -16.383 361 HZ2 TRP 51 HZ2 TRP 51 15.259 -12.149 -17.451 362 HZ3 TRP 51 HZ3 TRP 51 14.019 -16.098 -18.594 363 HH2 TRP 51 HH2 TRP 51 14.287 -13.693 -19.131 364 H THR 52 HN THR 52 13.686 -18.437 -14.282 365 HA THR 52 HA THR 52 12.114 -16.730 -15.937 366 HB THR 52 HB THR 52 12.383 -19.699 -15.600 367 HG1 THR 52 HG1 THR 52 13.166 -19.506 -17.653 368 HG21 THR 52 HG21 THR 52 10.747 -19.764 -17.618 369 HG22 THR 52 HG22 THR 52 10.201 -18.195 -17.027 370 HG23 THR 52 HG23 THR 52 10.068 -19.620 -15.996 371 H VAL 53 HN VAL 53 11.273 -19.061 -13.375 372 HA VAL 53 HA VAL 53 8.508 -18.752 -13.417 373 HB VAL 53 HB VAL 53 10.411 -19.358 -11.154 374 HG11 VAL 53 HG11 VAL 53 8.624 -18.607 -9.892 375 HG12 VAL 53 HG12 VAL 53 8.094 -20.263 -10.194 376 HG13 VAL 53 HG13 VAL 53 7.450 -18.939 -11.166 377 HG21 VAL 53 HG21 VAL 53 9.567 -20.856 -13.315 378 HG22 VAL 53 HG22 VAL 53 8.426 -21.331 -12.058 379 HG23 VAL 53 HG23 VAL 53 10.159 -21.523 -11.793 380 H PHE 54 HN PHE 54 10.943 -16.894 -11.608 381 HA PHE 54 HA PHE 54 9.229 -15.230 -10.172 382 HB2 PHE 54 HB2 PHE 54 12.024 -15.319 -10.803 383 HB3 PHE 54 HB1 PHE 54 11.442 -13.664 -10.990 384 HD1 PHE 54 HD1 PHE 54 10.278 -12.520 -9.098 385 HD2 PHE 54 HD2 PHE 54 12.139 -16.365 -8.643 386 HE1 PHE 54 HE1 PHE 54 10.221 -12.255 -6.633 387 HE2 PHE 54 HE2 PHE 54 12.083 -16.100 -6.178 388 HZ PHE 54 HZ PHE 54 11.124 -14.045 -5.172 389 H ARG 55 HN ARG 55 9.922 -15.319 -13.546 390 HA ARG 55 HA ARG 55 8.815 -12.635 -13.984 391 HB2 ARG 55 HB2 ARG 55 10.418 -14.558 -15.608 392 HB3 ARG 55 HB1 ARG 55 9.360 -13.434 -16.460 393 HG2 ARG 55 HG2 ARG 55 10.509 -11.556 -15.694 394 HG3 ARG 55 HG1 ARG 55 11.154 -12.400 -14.286 395 HD2 ARG 55 HD2 ARG 55 12.662 -11.890 -16.441 396 HD3 ARG 55 HD1 ARG 55 12.888 -13.337 -15.465 397 HE ARG 55 HE ARG 55 12.041 -14.604 -17.227 398 HH11 ARG 55 HH21 ARG 55 11.432 -11.228 -17.681 399 HH12 ARG 55 HH22 ARG 55 10.867 -11.407 -19.308 400 HH21 ARG 55 HH11 ARG 55 11.301 -14.847 -19.361 401 HH22 ARG 55 HH12 ARG 55 10.792 -13.456 -20.260 402 H LYS 56 HN LYS 56 7.718 -15.755 -13.668 403 HA LYS 56 HA LYS 56 5.437 -15.293 -15.493 404 HB2 LYS 56 HB2 LYS 56 5.420 -17.499 -16.034 405 HB3 LYS 56 HB1 LYS 56 7.101 -17.428 -15.514 406 HG2 LYS 56 HG2 LYS 56 6.279 -18.039 -13.174 407 HG3 LYS 56 HG1 LYS 56 4.706 -18.366 -13.903 408 HD2 LYS 56 HD2 LYS 56 7.145 -19.661 -15.089 409 HD3 LYS 56 HD1 LYS 56 6.451 -20.318 -13.609 410 HE2 LYS 56 HE2 LYS 56 4.794 -19.756 -16.077 411 HE3 LYS 56 HE1 LYS 56 5.552 -21.318 -15.767 412 HZ1 LYS 56 HZ1 LYS 56 4.364 -21.437 -13.667 413 HZ2 LYS 56 HZ2 LYS 56 3.278 -21.268 -14.962 414 HZ3 LYS 56 HZ3 LYS 56 3.633 -19.937 -13.969 415 H LYS 57 HN LYS 57 6.444 -15.651 -12.236 416 HA LYS 57 HA LYS 57 3.690 -16.115 -11.309 417 HB2 LYS 57 HB2 LYS 57 4.662 -16.583 -9.147 418 HB3 LYS 57 HB1 LYS 57 5.558 -17.491 -10.363 419 HG2 LYS 57 HG2 LYS 57 7.408 -16.551 -9.454 420 HG3 LYS 57 HG1 LYS 57 6.911 -15.088 -10.303 421 HD2 LYS 57 HD2 LYS 57 7.209 -14.401 -8.050 422 HD3 LYS 57 HD1 LYS 57 5.465 -14.580 -8.237 423 HE2 LYS 57 HE2 LYS 57 6.242 -17.125 -7.503 424 HE3 LYS 57 HE1 LYS 57 7.331 -16.108 -6.559 425 HZ1 LYS 57 HZ1 LYS 57 4.849 -14.916 -6.407 426 HZ2 LYS 57 HZ2 LYS 57 5.655 -15.765 -5.176 427 HZ3 LYS 57 HZ3 LYS 57 4.561 -16.574 -6.194 428 H GLY 58 HN GLY 58 6.131 -13.683 -11.596 429 HA2 GLY 58 HA2 GLY 58 5.060 -11.901 -9.602 430 HA3 GLY 58 HA1 GLY 58 6.282 -11.510 -10.810 431 H HIS 59 HN HIS 59 4.529 -12.512 -12.994 432 HA HIS 59 HA HIS 59 3.380 -10.101 -13.805 433 HB2 HIS 59 HB2 HIS 59 3.766 -12.603 -14.935 434 HB3 HIS 59 HB1 HIS 59 2.009 -12.438 -14.889 435 HD2 HIS 59 HD2 HIS 59 5.073 -10.853 -16.727 436 HE1 HIS 59 HE1 HIS 59 1.592 -8.932 -18.148 437 HE2 HIS 59 HE2 HIS 59 4.094 -9.197 -18.493 438 H HIS 60 HN HIS 60 2.245 -12.432 -11.570 439 HA HIS 60 HA HIS 60 -0.534 -11.503 -11.773 440 HB2 HIS 60 HB2 HIS 60 0.201 -13.984 -11.503 441 HB3 HIS 60 HB1 HIS 60 0.453 -13.554 -9.811 442 HD2 HIS 60 HD2 HIS 60 -2.574 -13.486 -12.395 443 HE1 HIS 60 HE1 HIS 60 -4.110 -13.640 -8.465 444 HE2 HIS 60 HE2 HIS 60 -4.728 -13.668 -10.928 445 H HIS 61 HN HIS 61 0.744 -9.386 -11.014 446 HA HIS 61 HA HIS 61 0.230 -9.190 -8.120 447 HB2 HIS 61 HB2 HIS 61 2.772 -9.334 -8.972 448 HB3 HIS 61 HB1 HIS 61 2.502 -7.606 -9.196 449 HD2 HIS 61 HD2 HIS 61 1.717 -10.098 -6.166 450 HE1 HIS 61 HE1 HIS 61 3.139 -6.426 -4.643 451 HE2 HIS 61 HE2 HIS 61 2.322 -8.748 -4.015 452 H HIS 62 HN HIS 62 -1.240 -8.403 -10.581 453 HA HIS 62 HA HIS 62 -2.568 -6.646 -11.235 454 HB2 HIS 62 HB2 HIS 62 -2.559 -6.340 -8.633 455 HB3 HIS 62 HB1 HIS 62 -1.516 -4.964 -8.987 456 HD2 HIS 62 HD2 HIS 62 -4.680 -4.473 -7.977 457 HE1 HIS 62 HE1 HIS 62 -5.279 -3.231 -11.968 458 HE2 HIS 62 HE2 HIS 62 -6.239 -3.169 -9.618 459 H HIS 63 HN HIS 63 -1.745 -5.930 -13.119 460 HA HIS 63 HA HIS 63 -0.447 -4.766 -14.621 461 HB2 HIS 63 HB2 HIS 63 -1.686 -2.999 -13.061 462 HB3 HIS 63 HB1 HIS 63 -0.025 -2.611 -12.607 463 HD2 HIS 63 HD2 HIS 63 1.093 -0.797 -14.352 464 HE1 HIS 63 HE1 HIS 63 -1.263 -1.673 -17.744 465 HE2 HIS 63 HE2 HIS 63 0.584 -0.184 -16.839 466 H HIS 64 HN HIS 64 0.982 -6.660 -13.131 467 HA HIS 64 HA HIS 64 3.086 -7.209 -12.349 468 HB2 HIS 64 HB2 HIS 64 4.849 -6.573 -13.893 469 HB3 HIS 64 HB1 HIS 64 3.382 -6.929 -14.806 470 HD2 HIS 64 HD2 HIS 64 5.602 -3.820 -13.875 471 HE1 HIS 64 HE1 HIS 64 2.648 -2.556 -16.614 472 HE2 HIS 64 HE2 HIS 64 4.749 -1.856 -15.370 Start of MODEL 29 1 H1 MET 1 HT1 MET 1 20.257 -19.458 -22.213 2 H2 MET 1 HT2 MET 1 19.174 -19.482 -20.904 3 H3 MET 1 HT3 MET 1 19.031 -20.628 -22.150 4 HA MET 1 HA MET 1 20.070 -21.874 -20.555 5 HB2 MET 1 HB2 MET 1 21.417 -21.562 -22.749 6 HB3 MET 1 HB1 MET 1 22.503 -20.572 -21.773 7 HG2 MET 1 HG2 MET 1 22.758 -22.473 -20.183 8 HG3 MET 1 HG1 MET 1 21.750 -23.461 -21.241 9 HE1 MET 1 HE1 MET 1 25.848 -24.091 -21.294 10 HE2 MET 1 HE2 MET 1 24.399 -24.491 -20.373 11 HE3 MET 1 HE3 MET 1 25.154 -22.910 -20.174 12 H GLU 2 HN GLU 2 20.997 -18.502 -20.499 13 HA GLU 2 HA GLU 2 21.113 -18.388 -17.676 14 HB2 GLU 2 HB2 GLU 2 23.603 -17.847 -17.538 15 HB3 GLU 2 HB1 GLU 2 23.183 -19.549 -17.742 16 HG2 GLU 2 HG2 GLU 2 24.068 -19.651 -19.838 17 HG3 GLU 2 HG1 GLU 2 23.503 -18.035 -20.261 18 H GLU 3 HN GLU 3 19.670 -16.746 -18.864 19 HA GLU 3 HA GLU 3 21.209 -14.293 -19.422 20 HB2 GLU 3 HB2 GLU 3 18.435 -15.027 -20.378 21 HB3 GLU 3 HB1 GLU 3 19.317 -13.553 -20.779 22 HG2 GLU 3 HG2 GLU 3 20.414 -14.603 -22.436 23 HG3 GLU 3 HG1 GLU 3 20.972 -15.850 -21.322 24 H GLY 4 HN GLY 4 20.608 -12.390 -18.419 25 HA2 GLY 4 HA2 GLY 4 18.407 -11.576 -17.132 26 HA3 GLY 4 HA1 GLY 4 19.080 -12.704 -15.960 27 H GLY 5 HN GLY 5 18.802 -9.597 -16.322 28 HA2 GLY 5 HA2 GLY 5 21.273 -8.359 -16.418 29 HA3 GLY 5 HA1 GLY 5 19.925 -7.788 -15.439 30 H ASP 6 HN ASP 6 19.624 -8.984 -13.319 31 HA ASP 6 HA ASP 6 20.528 -9.225 -11.204 32 HB2 ASP 6 HB2 ASP 6 21.614 -11.293 -10.920 33 HB3 ASP 6 HB1 ASP 6 20.619 -11.521 -12.355 34 H PHE 7 HN PHE 7 21.708 -7.131 -12.689 35 HA PHE 7 HA PHE 7 24.582 -7.269 -12.229 36 HB2 PHE 7 HB2 PHE 7 24.724 -5.215 -13.384 37 HB3 PHE 7 HB1 PHE 7 23.441 -6.099 -14.212 38 HD1 PHE 7 HD2 PHE 7 21.018 -5.647 -13.536 39 HD2 PHE 7 HD1 PHE 7 24.290 -3.128 -12.353 40 HE1 PHE 7 HE2 PHE 7 19.425 -3.814 -13.029 41 HE2 PHE 7 HE1 PHE 7 22.698 -1.297 -11.845 42 HZ PHE 7 HZ PHE 7 20.265 -1.639 -12.183 43 H ASP 8 HN ASP 8 25.570 -6.598 -10.438 44 HA ASP 8 HA ASP 8 24.533 -4.426 -8.839 45 HB2 ASP 8 HB2 ASP 8 23.710 -7.047 -8.194 46 HB3 ASP 8 HB1 ASP 8 24.935 -6.608 -7.006 47 H ASN 9 HN ASN 9 26.755 -7.201 -8.901 48 HA ASN 9 HA ASN 9 28.875 -7.426 -7.977 49 HB2 ASN 9 HB2 ASN 9 30.408 -5.738 -9.165 50 HB3 ASN 9 HB1 ASN 9 29.431 -6.817 -10.160 51 HD21 ASN 9 HD21 ASN 9 30.221 -3.542 -9.677 52 HD22 ASN 9 HD22 ASN 9 28.935 -2.859 -10.549 53 H TYR 10 HN TYR 10 29.226 -3.955 -8.287 54 HA TYR 10 HA TYR 10 30.586 -3.428 -6.007 55 HB2 TYR 10 HB2 TYR 10 29.849 -1.157 -6.147 56 HB3 TYR 10 HB1 TYR 10 29.908 -1.773 -7.799 57 HD1 TYR 10 HD2 TYR 10 27.637 -1.053 -4.941 58 HD2 TYR 10 HD1 TYR 10 27.936 -1.949 -9.131 59 HE1 TYR 10 HE2 TYR 10 25.230 -0.530 -5.225 60 HE2 TYR 10 HE1 TYR 10 25.529 -1.426 -9.415 61 HH TYR 10 HH TYR 10 23.555 -1.165 -8.239 62 H TYR 11 HN TYR 11 30.223 -3.255 -3.862 63 HA TYR 11 HA TYR 11 29.190 -3.708 -1.853 64 HB2 TYR 11 HB2 TYR 11 28.212 -1.444 -2.697 65 HB3 TYR 11 HB1 TYR 11 26.741 -2.377 -2.974 66 HD1 TYR 11 HD1 TYR 11 29.254 -1.454 -0.381 67 HD2 TYR 11 HD2 TYR 11 25.332 -3.015 -1.172 68 HE1 TYR 11 HE1 TYR 11 28.716 -1.325 2.036 69 HE2 TYR 11 HE2 TYR 11 24.792 -2.886 1.245 70 HH TYR 11 HH TYR 11 26.236 -1.107 3.356 71 H GLY 12 HN GLY 12 29.031 -5.843 -3.666 72 HA2 GLY 12 HA2 GLY 12 26.990 -7.409 -2.497 73 HA3 GLY 12 HA1 GLY 12 26.487 -6.915 -4.108 74 H ALA 13 HN ALA 13 29.795 -7.050 -3.975 75 HA ALA 13 HA ALA 13 29.871 -9.838 -4.966 76 HB1 ALA 13 HB1 ALA 13 31.978 -8.628 -6.228 77 HB2 ALA 13 HB2 ALA 13 30.777 -7.337 -6.222 78 HB3 ALA 13 HB3 ALA 13 30.393 -8.893 -6.955 79 H ASP 14 HN ASP 14 31.251 -7.372 -2.982 80 HA ASP 14 HA ASP 14 33.576 -9.068 -2.349 81 HB2 ASP 14 HB2 ASP 14 34.466 -7.076 -1.212 82 HB3 ASP 14 HB1 ASP 14 34.066 -6.725 -2.893 83 H ASN 15 HN ASN 15 30.504 -8.155 -1.201 84 HA ASN 15 HA ASN 15 30.945 -8.337 1.596 85 HB2 ASN 15 HB2 ASN 15 28.952 -7.271 0.560 86 HB3 ASN 15 HB1 ASN 15 28.397 -8.867 0.055 87 HD21 ASN 15 HD21 ASN 15 29.660 -7.408 3.118 88 HD22 ASN 15 HD22 ASN 15 28.465 -8.103 4.103 89 H GLN 16 HN GLN 16 30.435 -10.685 -0.926 90 HA GLN 16 HA GLN 16 29.970 -12.843 0.995 91 HB2 GLN 16 HB2 GLN 16 29.786 -14.249 -1.078 92 HB3 GLN 16 HB1 GLN 16 28.621 -12.927 -1.000 93 HG2 GLN 16 HG2 GLN 16 30.022 -11.560 -2.463 94 HG3 GLN 16 HG1 GLN 16 31.261 -12.813 -2.485 95 HE21 GLN 16 HE21 GLN 16 27.825 -13.652 -2.575 96 HE22 GLN 16 HE22 GLN 16 27.822 -14.187 -4.186 97 H SER 17 HN SER 17 32.470 -11.594 -1.126 98 HA SER 17 HA SER 17 34.197 -13.890 -0.791 99 HB2 SER 17 HB2 SER 17 34.581 -11.161 -2.018 100 HB3 SER 17 HB1 SER 17 35.888 -12.334 -1.887 101 HG SER 17 HG SER 17 33.398 -13.073 -2.972 102 H GLU 18 HN GLU 18 33.860 -10.672 0.609 103 HA GLU 18 HA GLU 18 36.181 -10.265 1.962 104 HB2 GLU 18 HB2 GLU 18 33.347 -9.659 2.511 105 HB3 GLU 18 HB1 GLU 18 34.401 -9.631 3.925 106 HG2 GLU 18 HG2 GLU 18 35.863 -8.025 2.907 107 HG3 GLU 18 HG1 GLU 18 35.065 -8.199 1.346 108 H CYS 19 HN CYS 19 33.459 -11.816 3.637 109 HA CYS 19 HA CYS 19 34.751 -12.856 5.796 110 HB2 CYS 19 HB2 CYS 19 32.460 -13.221 5.827 111 HB3 CYS 19 HB1 CYS 19 32.433 -13.845 4.178 112 HG CYS 19 HG CYS 19 34.026 -15.809 5.651 113 H GLU 20 HN GLU 20 34.734 -14.163 2.520 114 HA GLU 20 HA GLU 20 36.576 -16.306 3.385 115 HB2 GLU 20 HB2 GLU 20 35.372 -16.285 0.659 116 HB3 GLU 20 HB1 GLU 20 35.747 -17.647 1.716 117 HG2 GLU 20 HG2 GLU 20 33.875 -16.673 3.244 118 HG3 GLU 20 HG1 GLU 20 33.375 -15.796 1.800 119 H TYR 21 HN TYR 21 37.431 -13.568 3.016 120 HA TYR 21 HA TYR 21 38.955 -13.674 0.502 121 HB2 TYR 21 HB2 TYR 21 37.816 -11.575 0.908 122 HB3 TYR 21 HB1 TYR 21 38.537 -11.449 2.512 123 HD1 TYR 21 HD2 TYR 21 41.041 -11.202 2.730 124 HD2 TYR 21 HD1 TYR 21 39.005 -10.890 -1.040 125 HE1 TYR 21 HE2 TYR 21 43.025 -10.081 1.751 126 HE2 TYR 21 HE1 TYR 21 40.988 -9.767 -2.019 127 HH TYR 21 HH TYR 21 43.567 -9.776 -1.456 128 H THR 22 HN THR 22 39.407 -13.313 4.007 129 HA THR 22 HA THR 22 42.245 -13.231 3.932 130 HB THR 22 HB THR 22 41.918 -14.042 6.390 131 HG1 THR 22 HG1 THR 22 39.339 -13.093 6.138 132 HG21 THR 22 HG21 THR 22 41.163 -11.757 7.028 133 HG22 THR 22 HG22 THR 22 40.727 -11.459 5.345 134 HG23 THR 22 HG23 THR 22 42.413 -11.730 5.785 135 H ASP 23 HN ASP 23 40.056 -15.714 3.312 136 HA ASP 23 HA ASP 23 41.998 -17.820 4.019 137 HB2 ASP 23 HB2 ASP 23 39.065 -17.673 3.902 138 HB3 ASP 23 HB1 ASP 23 39.742 -19.123 3.161 139 H TRP 24 HN TRP 24 39.790 -16.873 1.379 140 HA TRP 24 HA TRP 24 40.446 -18.608 -0.598 141 HB2 TRP 24 HB2 TRP 24 38.970 -17.098 -1.442 142 HB3 TRP 24 HB1 TRP 24 39.686 -15.751 -0.556 143 HD1 TRP 24 HD1 TRP 24 40.264 -17.892 -3.698 144 HE1 TRP 24 HE1 TRP 24 41.696 -16.532 -5.357 145 HE3 TRP 24 HE3 TRP 24 41.292 -13.796 -0.826 146 HZ2 TRP 24 HZ2 TRP 24 43.092 -14.038 -5.453 147 HZ3 TRP 24 HZ3 TRP 24 42.674 -11.945 -1.725 148 HH2 TRP 24 HH2 TRP 24 43.574 -12.061 -4.032 149 H LYS 25 HN LYS 25 42.372 -15.798 0.392 150 HA LYS 25 HA LYS 25 44.325 -15.745 -1.533 151 HB2 LYS 25 HB2 LYS 25 44.064 -14.309 0.602 152 HB3 LYS 25 HB1 LYS 25 45.056 -15.543 1.378 153 HG2 LYS 25 HG2 LYS 25 46.798 -15.216 -0.353 154 HG3 LYS 25 HG1 LYS 25 45.814 -13.951 -1.088 155 HD2 LYS 25 HD2 LYS 25 45.913 -13.205 1.583 156 HD3 LYS 25 HD1 LYS 25 47.536 -13.825 1.274 157 HE2 LYS 25 HE2 LYS 25 47.709 -12.359 -0.714 158 HE3 LYS 25 HE1 LYS 25 46.101 -11.720 -0.373 159 HZ1 LYS 25 HZ1 LYS 25 48.282 -10.563 0.516 160 HZ2 LYS 25 HZ2 LYS 25 48.059 -11.661 1.792 161 HZ3 LYS 25 HZ3 LYS 25 46.837 -10.547 1.402 162 H SER 26 HN SER 26 44.001 -18.001 1.156 163 HA SER 26 HA SER 26 46.318 -19.523 0.118 164 HB2 SER 26 HB2 SER 26 45.922 -18.602 2.667 165 HB3 SER 26 HB1 SER 26 45.284 -20.241 2.774 166 HG SER 26 HG SER 26 47.438 -20.436 3.120 167 H SER 27 HN SER 27 42.942 -19.504 0.466 168 HA SER 27 HA SER 27 42.788 -22.435 0.104 169 HB2 SER 27 HB2 SER 27 40.605 -20.535 0.983 170 HB3 SER 27 HB1 SER 27 40.503 -22.291 0.912 171 HG SER 27 HG SER 27 41.578 -22.412 2.721 172 H GLY 28 HN GLY 28 43.263 -20.151 -1.882 173 HA2 GLY 28 HA2 GLY 28 40.882 -20.247 -3.553 174 HA3 GLY 28 HA1 GLY 28 42.370 -19.369 -3.899 175 H ALA 29 HN ALA 29 43.602 -22.176 -3.057 176 HA ALA 29 HA ALA 29 43.735 -23.141 -5.819 177 HB1 ALA 29 HB1 ALA 29 45.779 -22.776 -4.295 178 HB2 ALA 29 HB2 ALA 29 45.692 -24.297 -5.184 179 HB3 ALA 29 HB3 ALA 29 45.268 -24.250 -3.473 180 H LEU 30 HN LEU 30 41.265 -23.542 -4.591 181 HA LEU 30 HA LEU 30 40.880 -26.322 -4.993 182 HB2 LEU 30 HB2 LEU 30 40.218 -26.955 -2.697 183 HB3 LEU 30 HB1 LEU 30 41.928 -26.535 -2.793 184 HG LEU 30 HG LEU 30 40.683 -24.099 -2.281 185 HD11 LEU 30 HD11 LEU 30 39.433 -26.285 -0.588 186 HD12 LEU 30 HD12 LEU 30 38.582 -25.289 -1.769 187 HD13 LEU 30 HD13 LEU 30 39.258 -24.551 -0.316 188 HD21 LEU 30 HD21 LEU 30 41.636 -24.491 0.049 189 HD22 LEU 30 HD22 LEU 30 42.772 -24.733 -1.279 190 HD23 LEU 30 HD23 LEU 30 42.038 -26.125 -0.481 191 H ILE 31 HN ILE 31 39.733 -23.237 -3.800 192 HA ILE 31 HA ILE 31 36.979 -23.961 -3.659 193 HB ILE 31 HB ILE 31 38.473 -21.361 -3.619 194 HG12 ILE 31 HG12 ILE 31 36.416 -22.535 -1.734 195 HG13 ILE 31 HG11 ILE 31 38.141 -22.885 -1.607 196 HG21 ILE 31 HG21 ILE 31 35.526 -21.796 -4.087 197 HG22 ILE 31 HG22 ILE 31 36.616 -20.677 -4.907 198 HG23 ILE 31 HG23 ILE 31 36.110 -20.360 -3.249 199 HD11 ILE 31 HD11 ILE 31 37.239 -20.940 -0.178 200 HD12 ILE 31 HD12 ILE 31 37.106 -20.050 -1.695 201 HD13 ILE 31 HD13 ILE 31 38.680 -20.623 -1.143 202 HA PRO 32 HA PRO 32 36.974 -21.815 -8.076 203 HB2 PRO 32 HB2 PRO 32 39.372 -23.176 -9.176 204 HB3 PRO 32 HB1 PRO 32 38.817 -21.508 -9.405 205 HG2 PRO 32 HG2 PRO 32 40.926 -22.089 -7.880 206 HG3 PRO 32 HG1 PRO 32 39.813 -20.769 -7.479 207 HD2 PRO 32 HD2 PRO 32 40.032 -23.489 -6.248 208 HD3 PRO 32 HD1 PRO 32 39.655 -21.933 -5.484 209 H ALA 33 HN ALA 33 38.470 -25.026 -7.685 210 HA ALA 33 HA ALA 33 37.258 -26.351 -9.811 211 HB1 ALA 33 HB1 ALA 33 38.327 -28.126 -8.946 212 HB2 ALA 33 HB2 ALA 33 37.403 -28.030 -7.446 213 HB3 ALA 33 HB3 ALA 33 38.866 -27.065 -7.644 214 H ILE 34 HN ILE 34 36.178 -26.508 -6.408 215 HA ILE 34 HA ILE 34 33.733 -27.739 -6.846 216 HB ILE 34 HB ILE 34 34.800 -25.921 -4.728 217 HG12 ILE 34 HG12 ILE 34 35.040 -28.537 -5.068 218 HG13 ILE 34 HG11 ILE 34 34.821 -27.861 -3.456 219 HG21 ILE 34 HG21 ILE 34 32.555 -26.365 -3.520 220 HG22 ILE 34 HG22 ILE 34 31.900 -26.661 -5.130 221 HG23 ILE 34 HG23 ILE 34 32.589 -25.087 -4.733 222 HD11 ILE 34 HD11 ILE 34 32.451 -28.686 -5.132 223 HD12 ILE 34 HD12 ILE 34 32.539 -28.468 -3.383 224 HD13 ILE 34 HD13 ILE 34 33.319 -29.857 -4.139 225 H TYR 35 HN TYR 35 34.372 -24.235 -6.604 226 HA TYR 35 HA TYR 35 31.898 -23.174 -6.981 227 HB2 TYR 35 HB2 TYR 35 34.614 -22.332 -7.580 228 HB3 TYR 35 HB1 TYR 35 33.460 -21.681 -8.744 229 HD1 TYR 35 HD2 TYR 35 33.357 -22.429 -5.064 230 HD2 TYR 35 HD1 TYR 35 32.765 -19.527 -8.175 231 HE1 TYR 35 HE2 TYR 35 32.593 -20.778 -3.378 232 HE2 TYR 35 HE1 TYR 35 32.002 -17.876 -6.490 233 HH TYR 35 HH TYR 35 32.558 -18.119 -3.299 234 H MET 36 HN MET 36 34.072 -24.131 -9.644 235 HA MET 36 HA MET 36 32.347 -23.661 -11.768 236 HB2 MET 36 HB2 MET 36 34.665 -25.483 -11.316 237 HB3 MET 36 HB1 MET 36 33.670 -25.751 -12.748 238 HG2 MET 36 HG2 MET 36 35.629 -24.162 -13.075 239 HG3 MET 36 HG1 MET 36 34.053 -23.520 -13.540 240 HE1 MET 36 HE1 MET 36 34.040 -20.281 -11.972 241 HE2 MET 36 HE2 MET 36 32.950 -21.518 -12.594 242 HE3 MET 36 HE3 MET 36 34.432 -21.139 -13.469 243 H LEU 37 HN LEU 37 32.983 -26.898 -10.391 244 HA LEU 37 HA LEU 37 30.878 -28.211 -11.638 245 HB2 LEU 37 HB2 LEU 37 32.821 -29.177 -10.243 246 HB3 LEU 37 HB1 LEU 37 31.767 -28.920 -8.852 247 HG LEU 37 HG LEU 37 30.052 -30.135 -10.618 248 HD11 LEU 37 HD11 LEU 37 32.017 -30.508 -12.154 249 HD12 LEU 37 HD12 LEU 37 31.206 -31.992 -11.653 250 HD13 LEU 37 HD13 LEU 37 32.731 -31.524 -10.902 251 HD21 LEU 37 HD21 LEU 37 31.882 -31.301 -8.503 252 HD22 LEU 37 HD22 LEU 37 30.577 -32.222 -9.252 253 HD23 LEU 37 HD23 LEU 37 30.208 -30.778 -8.310 254 H VAL 38 HN VAL 38 30.740 -25.865 -9.167 255 HA VAL 38 HA VAL 38 27.950 -26.633 -8.526 256 HB VAL 38 HB VAL 38 29.934 -25.064 -6.864 257 HG11 VAL 38 HG11 VAL 38 26.993 -25.506 -6.694 258 HG12 VAL 38 HG12 VAL 38 27.961 -24.144 -6.127 259 HG13 VAL 38 HG13 VAL 38 27.904 -25.637 -5.190 260 HG21 VAL 38 HG21 VAL 38 29.596 -27.051 -5.322 261 HG22 VAL 38 HG22 VAL 38 30.458 -27.419 -6.817 262 HG23 VAL 38 HG23 VAL 38 28.755 -27.849 -6.651 263 H PHE 39 HN PHE 39 29.498 -24.710 -10.555 264 HA PHE 39 HA PHE 39 27.623 -22.448 -10.180 265 HB2 PHE 39 HB2 PHE 39 29.905 -21.713 -9.750 266 HB3 PHE 39 HB1 PHE 39 30.437 -22.388 -11.289 267 HD1 PHE 39 HD2 PHE 39 27.866 -20.032 -9.905 268 HD2 PHE 39 HD1 PHE 39 30.494 -20.991 -13.164 269 HE1 PHE 39 HE2 PHE 39 27.231 -17.920 -11.038 270 HE2 PHE 39 HE1 PHE 39 29.859 -18.879 -14.298 271 HZ PHE 39 HZ PHE 39 28.228 -17.343 -13.234 272 H LEU 40 HN LEU 40 28.766 -24.937 -12.236 273 HA LEU 40 HA LEU 40 27.353 -23.737 -14.543 274 HB2 LEU 40 HB2 LEU 40 28.724 -25.158 -15.974 275 HB3 LEU 40 HB1 LEU 40 29.753 -24.174 -14.936 276 HG LEU 40 HG LEU 40 29.341 -26.421 -13.390 277 HD11 LEU 40 HD11 LEU 40 28.251 -27.575 -15.287 278 HD12 LEU 40 HD12 LEU 40 29.786 -28.341 -14.879 279 HD13 LEU 40 HD13 LEU 40 29.676 -27.278 -16.283 280 HD21 LEU 40 HD21 LEU 40 31.483 -25.228 -13.788 281 HD22 LEU 40 HD22 LEU 40 31.563 -25.933 -15.402 282 HD23 LEU 40 HD23 LEU 40 31.672 -26.970 -13.981 283 H LEU 41 HN LEU 41 26.899 -25.869 -12.106 284 HA LEU 41 HA LEU 41 25.369 -27.776 -13.762 285 HB2 LEU 41 HB2 LEU 41 26.958 -28.025 -11.321 286 HB3 LEU 41 HB1 LEU 41 25.370 -28.773 -11.182 287 HG LEU 41 HG LEU 41 27.295 -29.277 -13.473 288 HD11 LEU 41 HD11 LEU 41 26.854 -31.585 -11.857 289 HD12 LEU 41 HD12 LEU 41 27.330 -30.268 -10.786 290 HD13 LEU 41 HD13 LEU 41 28.369 -30.727 -12.135 291 HD21 LEU 41 HD21 LEU 41 24.506 -29.841 -13.067 292 HD22 LEU 41 HD22 LEU 41 25.395 -31.363 -13.050 293 HD23 LEU 41 HD23 LEU 41 25.522 -30.284 -14.439 294 H GLY 42 HN GLY 42 25.145 -26.191 -10.565 295 HA2 GLY 42 HA2 GLY 42 22.220 -26.349 -10.725 296 HA3 GLY 42 HA1 GLY 42 23.161 -25.963 -9.289 297 H THR 43 HN THR 43 24.424 -24.240 -11.849 298 HA THR 43 HA THR 43 22.624 -21.940 -11.407 299 HB THR 43 HB THR 43 25.435 -21.209 -11.753 300 HG1 THR 43 HG1 THR 43 24.602 -22.509 -9.377 301 HG21 THR 43 HG21 THR 43 24.875 -19.608 -10.053 302 HG22 THR 43 HG22 THR 43 23.462 -20.542 -9.560 303 HG23 THR 43 HG23 THR 43 23.480 -19.728 -11.125 304 H THR 44 HN THR 44 22.825 -23.845 -13.606 305 HA THR 44 HA THR 44 23.454 -21.928 -15.764 306 HB THR 44 HB THR 44 24.321 -24.789 -15.485 307 HG1 THR 44 HG1 THR 44 25.713 -22.980 -15.071 308 HG21 THR 44 HG21 THR 44 24.862 -24.541 -18.016 309 HG22 THR 44 HG22 THR 44 23.598 -23.312 -18.008 310 HG23 THR 44 HG23 THR 44 23.217 -24.973 -17.553 311 H GLY 45 HN GLY 45 21.713 -24.854 -14.786 312 HA2 GLY 45 HA2 GLY 45 19.552 -24.118 -16.672 313 HA3 GLY 45 HA1 GLY 45 20.066 -25.789 -16.460 314 H ASN 46 HN ASN 46 20.184 -23.842 -13.653 315 HA ASN 46 HA ASN 46 17.621 -24.971 -12.692 316 HB2 ASN 46 HB2 ASN 46 20.315 -24.825 -11.367 317 HB3 ASN 46 HB1 ASN 46 18.840 -24.884 -10.403 318 HD21 ASN 46 HD21 ASN 46 21.070 -26.795 -12.227 319 HD22 ASN 46 HD22 ASN 46 20.207 -28.255 -12.152 320 H GLY 47 HN GLY 47 20.071 -22.478 -11.963 321 HA2 GLY 47 HA2 GLY 47 18.384 -20.823 -10.427 322 HA3 GLY 47 HA1 GLY 47 19.861 -20.305 -11.235 323 H LEU 48 HN LEU 48 19.304 -20.634 -13.870 324 HA LEU 48 HA LEU 48 17.935 -18.352 -14.600 325 HB2 LEU 48 HB2 LEU 48 19.373 -19.475 -16.179 326 HB3 LEU 48 HB1 LEU 48 18.363 -20.918 -16.150 327 HG LEU 48 HG LEU 48 16.538 -19.743 -17.228 328 HD11 LEU 48 HD11 LEU 48 18.260 -17.330 -16.686 329 HD12 LEU 48 HD12 LEU 48 16.550 -17.569 -16.325 330 HD13 LEU 48 HD13 LEU 48 17.071 -17.308 -17.989 331 HD21 LEU 48 HD21 LEU 48 17.485 -19.491 -19.361 332 HD22 LEU 48 HD22 LEU 48 18.662 -20.515 -18.538 333 HD23 LEU 48 HD23 LEU 48 18.970 -18.788 -18.722 334 H VAL 49 HN VAL 49 16.683 -21.694 -14.612 335 HA VAL 49 HA VAL 49 14.065 -21.083 -15.416 336 HB VAL 49 HB VAL 49 15.269 -23.349 -13.845 337 HG11 VAL 49 HG11 VAL 49 12.909 -24.393 -14.291 338 HG12 VAL 49 HG12 VAL 49 12.371 -22.714 -14.346 339 HG13 VAL 49 HG13 VAL 49 13.130 -23.349 -12.887 340 HG21 VAL 49 HG21 VAL 49 13.877 -23.198 -16.538 341 HG22 VAL 49 HG22 VAL 49 14.709 -24.602 -15.869 342 HG23 VAL 49 HG23 VAL 49 15.626 -23.161 -16.312 343 H LEU 50 HN LEU 50 14.961 -22.078 -12.111 344 HA LEU 50 HA LEU 50 12.698 -21.253 -10.796 345 HB2 LEU 50 HB2 LEU 50 15.576 -21.260 -9.879 346 HB3 LEU 50 HB1 LEU 50 14.231 -20.904 -8.795 347 HG LEU 50 HG LEU 50 14.006 -23.351 -10.484 348 HD11 LEU 50 HD11 LEU 50 16.182 -23.837 -9.790 349 HD12 LEU 50 HD12 LEU 50 15.233 -24.511 -8.465 350 HD13 LEU 50 HD13 LEU 50 16.009 -22.938 -8.283 351 HD21 LEU 50 HD21 LEU 50 12.870 -24.177 -8.476 352 HD22 LEU 50 HD22 LEU 50 12.230 -22.591 -8.905 353 HD23 LEU 50 HD23 LEU 50 13.377 -22.747 -7.576 354 H TRP 51 HN TRP 51 15.273 -19.295 -12.077 355 HA TRP 51 HA TRP 51 14.549 -16.907 -10.624 356 HB2 TRP 51 HB2 TRP 51 16.844 -17.163 -11.336 357 HB3 TRP 51 HB1 TRP 51 16.345 -17.367 -13.015 358 HD1 TRP 51 HD1 TRP 51 16.777 -14.738 -10.305 359 HE1 TRP 51 HE1 TRP 51 16.600 -12.397 -11.371 360 HE3 TRP 51 HE3 TRP 51 15.287 -16.023 -15.018 361 HZ2 TRP 51 HZ2 TRP 51 15.918 -11.224 -13.889 362 HZ3 TRP 51 HZ3 TRP 51 14.881 -14.276 -16.729 363 HH2 TRP 51 HH2 TRP 51 15.195 -11.881 -16.170 364 H THR 52 HN THR 52 14.118 -18.113 -13.941 365 HA THR 52 HA THR 52 12.715 -15.836 -14.896 366 HB THR 52 HB THR 52 12.864 -18.700 -15.841 367 HG1 THR 52 HG1 THR 52 13.946 -16.217 -16.654 368 HG21 THR 52 HG21 THR 52 10.758 -18.042 -16.656 369 HG22 THR 52 HG22 THR 52 11.851 -17.623 -17.976 370 HG23 THR 52 HG23 THR 52 11.268 -16.368 -16.882 371 H VAL 53 HN VAL 53 11.578 -19.036 -13.803 372 HA VAL 53 HA VAL 53 8.845 -18.644 -14.076 373 HB VAL 53 HB VAL 53 10.389 -20.209 -12.000 374 HG11 VAL 53 HG11 VAL 53 8.375 -20.180 -10.912 375 HG12 VAL 53 HG12 VAL 53 7.961 -21.405 -12.112 376 HG13 VAL 53 HG13 VAL 53 7.482 -19.726 -12.364 377 HG21 VAL 53 HG21 VAL 53 10.216 -22.005 -13.462 378 HG22 VAL 53 HG22 VAL 53 10.339 -20.677 -14.615 379 HG23 VAL 53 HG23 VAL 53 8.763 -21.370 -14.233 380 H PHE 54 HN PHE 54 10.832 -18.047 -11.170 381 HA PHE 54 HA PHE 54 8.906 -17.035 -9.478 382 HB2 PHE 54 HB2 PHE 54 11.828 -16.680 -9.781 383 HB3 PHE 54 HB1 PHE 54 10.998 -15.430 -8.853 384 HD1 PHE 54 HD1 PHE 54 10.353 -19.105 -9.208 385 HD2 PHE 54 HD2 PHE 54 11.346 -15.859 -6.576 386 HE1 PHE 54 HE1 PHE 54 10.212 -20.638 -7.263 387 HE2 PHE 54 HE2 PHE 54 11.205 -17.391 -4.632 388 HZ PHE 54 HZ PHE 54 10.639 -19.781 -4.975 389 H ARG 55 HN ARG 55 10.783 -15.275 -11.930 390 HA ARG 55 HA ARG 55 9.437 -12.779 -11.426 391 HB2 ARG 55 HB2 ARG 55 11.603 -13.759 -13.148 392 HB3 ARG 55 HB1 ARG 55 10.598 -12.521 -13.904 393 HG2 ARG 55 HG2 ARG 55 11.024 -10.960 -12.157 394 HG3 ARG 55 HG1 ARG 55 11.692 -12.207 -11.103 395 HD2 ARG 55 HD2 ARG 55 13.189 -10.538 -12.695 396 HD3 ARG 55 HD1 ARG 55 13.739 -12.087 -12.063 397 HE ARG 55 HE ARG 55 13.499 -13.000 -14.201 398 HH11 ARG 55 HH21 ARG 55 12.078 -9.854 -13.971 399 HH12 ARG 55 HH22 ARG 55 11.833 -9.687 -15.678 400 HH21 ARG 55 HH11 ARG 55 13.181 -12.790 -16.441 401 HH22 ARG 55 HH12 ARG 55 12.458 -11.350 -17.076 402 H LYS 56 HN LYS 56 8.957 -15.533 -13.495 403 HA LYS 56 HA LYS 56 7.319 -14.351 -15.469 404 HB2 LYS 56 HB2 LYS 56 8.383 -16.691 -15.452 405 HB3 LYS 56 HB1 LYS 56 7.001 -17.177 -14.469 406 HG2 LYS 56 HG2 LYS 56 5.978 -17.541 -16.464 407 HG3 LYS 56 HG1 LYS 56 5.774 -15.789 -16.491 408 HD2 LYS 56 HD2 LYS 56 7.937 -15.573 -17.690 409 HD3 LYS 56 HD1 LYS 56 8.086 -17.330 -17.707 410 HE2 LYS 56 HE2 LYS 56 5.723 -15.852 -18.890 411 HE3 LYS 56 HE1 LYS 56 7.133 -16.338 -19.831 412 HZ1 LYS 56 HZ1 LYS 56 6.369 -18.562 -18.387 413 HZ2 LYS 56 HZ2 LYS 56 6.186 -18.310 -20.058 414 HZ3 LYS 56 HZ3 LYS 56 4.927 -17.902 -18.992 415 H LYS 57 HN LYS 57 6.385 -16.249 -12.589 416 HA LYS 57 HA LYS 57 3.630 -15.363 -12.833 417 HB2 LYS 57 HB2 LYS 57 5.106 -17.234 -11.001 418 HB3 LYS 57 HB1 LYS 57 3.475 -16.689 -10.603 419 HG2 LYS 57 HG2 LYS 57 2.516 -17.870 -12.314 420 HG3 LYS 57 HG1 LYS 57 3.893 -17.629 -13.390 421 HD2 LYS 57 HD2 LYS 57 5.144 -19.366 -12.353 422 HD3 LYS 57 HD1 LYS 57 4.055 -19.426 -10.965 423 HE2 LYS 57 HE2 LYS 57 2.540 -20.733 -12.052 424 HE3 LYS 57 HE1 LYS 57 2.754 -19.879 -13.580 425 HZ1 LYS 57 HZ1 LYS 57 3.983 -21.578 -14.249 426 HZ2 LYS 57 HZ2 LYS 57 3.929 -22.306 -12.715 427 HZ3 LYS 57 HZ3 LYS 57 5.141 -21.172 -13.079 428 H GLY 58 HN GLY 58 6.472 -14.237 -11.367 429 HA2 GLY 58 HA2 GLY 58 5.220 -12.937 -9.104 430 HA3 GLY 58 HA1 GLY 58 6.892 -12.752 -9.625 431 H HIS 59 HN HIS 59 6.104 -12.122 -12.395 432 HA HIS 59 HA HIS 59 6.090 -9.337 -12.279 433 HB2 HIS 59 HB2 HIS 59 5.719 -11.384 -14.359 434 HB3 HIS 59 HB1 HIS 59 4.933 -9.843 -14.709 435 HD2 HIS 59 HD2 HIS 59 8.455 -10.217 -12.904 436 HE1 HIS 59 HE1 HIS 59 8.967 -8.031 -16.479 437 HE2 HIS 59 HE2 HIS 59 10.134 -8.876 -14.388 438 H HIS 60 HN HIS 60 3.528 -11.542 -11.779 439 HA HIS 60 HA HIS 60 1.435 -9.610 -12.421 440 HB2 HIS 60 HB2 HIS 60 1.372 -12.451 -11.390 441 HB3 HIS 60 HB1 HIS 60 -0.076 -11.467 -11.611 442 HD2 HIS 60 HD2 HIS 60 1.293 -14.120 -13.607 443 HE1 HIS 60 HE1 HIS 60 0.628 -11.152 -16.535 444 HE2 HIS 60 HE2 HIS 60 1.081 -13.623 -16.162 445 H HIS 61 HN HIS 61 0.424 -11.454 -9.868 446 HA HIS 61 HA HIS 61 1.401 -9.750 -7.728 447 HB2 HIS 61 HB2 HIS 61 -0.635 -8.637 -8.962 448 HB3 HIS 61 HB1 HIS 61 -1.575 -9.826 -8.061 449 HD2 HIS 61 HD2 HIS 61 0.384 -9.610 -5.280 450 HE1 HIS 61 HE1 HIS 61 -1.012 -5.626 -5.262 451 HE2 HIS 61 HE2 HIS 61 0.083 -7.440 -3.861 452 H HIS 62 HN HIS 62 -1.473 -11.786 -8.321 453 HA HIS 62 HA HIS 62 -0.451 -13.937 -6.703 454 HB2 HIS 62 HB2 HIS 62 -2.237 -13.789 -4.976 455 HB3 HIS 62 HB1 HIS 62 -1.101 -12.442 -4.900 456 HD2 HIS 62 HD2 HIS 62 -4.863 -12.950 -5.115 457 HE1 HIS 62 HE1 HIS 62 -4.170 -9.028 -6.514 458 HE2 HIS 62 HE2 HIS 62 -5.955 -10.665 -5.750 459 H HIS 63 HN HIS 63 -3.600 -12.509 -7.613 460 HA HIS 63 HA HIS 63 -4.429 -15.149 -8.621 461 HB2 HIS 63 HB2 HIS 63 -5.897 -14.016 -6.964 462 HB3 HIS 63 HB1 HIS 63 -6.108 -12.685 -8.103 463 HD2 HIS 63 HD2 HIS 63 -6.977 -16.561 -7.963 464 HE1 HIS 63 HE1 HIS 63 -9.473 -14.694 -10.810 465 HE2 HIS 63 HE2 HIS 63 -8.975 -16.878 -9.613 466 H HIS 64 HN HIS 64 -2.576 -13.754 -10.183 467 HA HIS 64 HA HIS 64 -2.229 -12.831 -12.272 468 HB2 HIS 64 HB2 HIS 64 -2.974 -15.077 -12.872 469 HB3 HIS 64 HB1 HIS 64 -4.659 -14.558 -12.801 470 HD2 HIS 64 HD2 HIS 64 -5.597 -13.576 -15.211 471 HE1 HIS 64 HE1 HIS 64 -1.864 -12.880 -17.058 472 HE2 HIS 64 HE2 HIS 64 -4.381 -12.830 -17.398 Start of MODEL 30 1 H1 MET 1 HT1 MET 1 24.223 -12.927 32.228 2 H2 MET 1 HT2 MET 1 25.206 -13.659 31.051 3 H3 MET 1 HT3 MET 1 23.590 -14.149 31.237 4 HA MET 1 HA MET 1 22.755 -12.130 30.387 5 HB2 MET 1 HB2 MET 1 25.619 -11.149 30.257 6 HB3 MET 1 HB1 MET 1 24.153 -10.221 29.940 7 HG2 MET 1 HG2 MET 1 23.627 -11.121 32.452 8 HG3 MET 1 HG1 MET 1 25.384 -10.984 32.525 9 HE1 MET 1 HE1 MET 1 22.236 -7.761 32.515 10 HE2 MET 1 HE2 MET 1 22.258 -9.366 33.241 11 HE3 MET 1 HE3 MET 1 22.076 -9.199 31.497 12 H GLU 2 HN GLU 2 23.797 -10.996 28.114 13 HA GLU 2 HA GLU 2 24.112 -13.354 26.393 14 HB2 GLU 2 HB2 GLU 2 23.430 -10.477 25.745 15 HB3 GLU 2 HB1 GLU 2 23.556 -11.774 24.557 16 HG2 GLU 2 HG2 GLU 2 21.865 -12.558 26.786 17 HG3 GLU 2 HG1 GLU 2 21.276 -11.078 26.030 18 H GLU 3 HN GLU 3 25.319 -12.332 24.196 19 HA GLU 3 HA GLU 3 28.050 -12.493 24.786 20 HB2 GLU 3 HB2 GLU 3 26.695 -11.265 22.372 21 HB3 GLU 3 HB1 GLU 3 28.401 -11.704 22.468 22 HG2 GLU 3 HG2 GLU 3 26.164 -13.681 22.962 23 HG3 GLU 3 HG1 GLU 3 26.897 -13.439 21.377 24 H GLY 4 HN GLY 4 29.651 -10.724 24.089 25 HA2 GLY 4 HA2 GLY 4 28.858 -7.987 24.517 26 HA3 GLY 4 HA1 GLY 4 29.734 -8.669 25.885 27 H GLY 5 HN GLY 5 29.949 -8.246 22.358 28 HA2 GLY 5 HA2 GLY 5 32.795 -7.594 22.654 29 HA3 GLY 5 HA1 GLY 5 32.363 -8.910 21.567 30 H ASP 6 HN ASP 6 33.555 -7.278 20.115 31 HA ASP 6 HA ASP 6 31.558 -5.942 18.512 32 HB2 ASP 6 HB2 ASP 6 32.192 -4.274 20.329 33 HB3 ASP 6 HB1 ASP 6 33.797 -4.237 19.603 34 H PHE 7 HN PHE 7 32.942 -8.042 17.703 35 HA PHE 7 HA PHE 7 34.331 -8.828 16.053 36 HB2 PHE 7 HB2 PHE 7 33.417 -6.270 15.201 37 HB3 PHE 7 HB1 PHE 7 35.119 -6.410 14.756 38 HD1 PHE 7 HD2 PHE 7 35.865 -8.607 13.599 39 HD2 PHE 7 HD1 PHE 7 31.769 -7.354 13.922 40 HE1 PHE 7 HE2 PHE 7 35.254 -10.123 11.734 41 HE2 PHE 7 HE1 PHE 7 31.158 -8.870 12.056 42 HZ PHE 7 HZ PHE 7 32.901 -10.253 10.963 43 H ASP 8 HN ASP 8 36.236 -9.569 16.733 44 HA ASP 8 HA ASP 8 38.126 -7.965 18.163 45 HB2 ASP 8 HB2 ASP 8 39.595 -10.004 17.893 46 HB3 ASP 8 HB1 ASP 8 38.040 -10.302 18.670 47 H ASN 9 HN ASN 9 37.790 -9.047 14.830 48 HA ASN 9 HA ASN 9 39.101 -8.676 12.959 49 HB2 ASN 9 HB2 ASN 9 37.943 -6.420 13.685 50 HB3 ASN 9 HB1 ASN 9 39.601 -5.923 14.016 51 HD21 ASN 9 HD21 ASN 9 38.178 -4.653 11.934 52 HD22 ASN 9 HD22 ASN 9 38.841 -5.121 10.441 53 H TYR 10 HN TYR 10 41.232 -6.814 12.628 54 HA TYR 10 HA TYR 10 43.538 -6.894 12.660 55 HB2 TYR 10 HB2 TYR 10 42.687 -5.913 14.988 56 HB3 TYR 10 HB1 TYR 10 43.484 -7.363 15.598 57 HD1 TYR 10 HD1 TYR 10 44.086 -4.607 13.118 58 HD2 TYR 10 HD2 TYR 10 45.767 -7.228 16.078 59 HE1 TYR 10 HE1 TYR 10 46.290 -3.504 12.843 60 HE2 TYR 10 HE2 TYR 10 47.970 -6.125 15.803 61 HH TYR 10 HH TYR 10 48.607 -3.912 13.223 62 H TYR 11 HN TYR 11 45.151 -8.227 14.662 63 HA TYR 11 HA TYR 11 45.573 -10.699 13.399 64 HB2 TYR 11 HB2 TYR 11 47.166 -9.346 14.901 65 HB3 TYR 11 HB1 TYR 11 46.360 -10.145 16.251 66 HD1 TYR 11 HD2 TYR 11 48.338 -10.714 13.160 67 HD2 TYR 11 HD1 TYR 11 46.747 -12.455 16.751 68 HE1 TYR 11 HE2 TYR 11 49.722 -12.739 12.791 69 HE2 TYR 11 HE1 TYR 11 48.132 -14.480 16.381 70 HH TYR 11 HH TYR 11 50.706 -14.624 14.482 71 H GLY 12 HN GLY 12 43.283 -11.417 13.383 72 HA2 GLY 12 HA2 GLY 12 42.862 -13.547 15.184 73 HA3 GLY 12 HA1 GLY 12 41.847 -12.188 15.661 74 H ALA 13 HN ALA 13 41.581 -11.231 12.902 75 HA ALA 13 HA ALA 13 39.584 -13.198 11.976 76 HB1 ALA 13 HB1 ALA 13 38.721 -10.954 12.558 77 HB2 ALA 13 HB2 ALA 13 38.508 -11.313 10.844 78 HB3 ALA 13 HB3 ALA 13 39.808 -10.240 11.367 79 H ASP 14 HN ASP 14 42.522 -11.581 11.173 80 HA ASP 14 HA ASP 14 42.347 -12.509 8.374 81 HB2 ASP 14 HB2 ASP 14 44.023 -10.388 9.713 82 HB3 ASP 14 HB1 ASP 14 44.375 -10.988 8.095 83 H ASN 15 HN ASN 15 43.846 -13.085 11.396 84 HA ASN 15 HA ASN 15 46.336 -14.124 10.663 85 HB2 ASN 15 HB2 ASN 15 46.008 -13.876 12.966 86 HB3 ASN 15 HB1 ASN 15 44.447 -14.692 12.930 87 HD21 ASN 15 HD21 ASN 15 47.954 -15.227 12.900 88 HD22 ASN 15 HD22 ASN 15 47.873 -16.893 13.210 89 H GLN 16 HN GLN 16 43.132 -15.443 10.324 90 HA GLN 16 HA GLN 16 44.102 -18.128 9.742 91 HB2 GLN 16 HB2 GLN 16 41.806 -18.752 9.584 92 HB3 GLN 16 HB1 GLN 16 41.916 -17.628 10.940 93 HG2 GLN 16 HG2 GLN 16 40.160 -16.634 9.848 94 HG3 GLN 16 HG1 GLN 16 41.471 -15.859 8.961 95 HE21 GLN 16 HE21 GLN 16 40.691 -15.774 6.827 96 HE22 GLN 16 HE22 GLN 16 40.107 -17.119 5.972 97 H SER 17 HN SER 17 43.881 -15.254 8.076 98 HA SER 17 HA SER 17 43.180 -16.448 5.501 99 HB2 SER 17 HB2 SER 17 43.134 -14.227 4.652 100 HB3 SER 17 HB1 SER 17 42.400 -14.141 6.250 101 HG SER 17 HG SER 17 44.099 -12.543 5.695 102 H GLU 18 HN GLU 18 45.869 -14.447 6.743 103 HA GLU 18 HA GLU 18 47.657 -14.713 4.686 104 HB2 GLU 18 HB2 GLU 18 48.504 -14.937 7.575 105 HB3 GLU 18 HB1 GLU 18 49.389 -14.208 6.235 106 HG2 GLU 18 HG2 GLU 18 47.268 -12.659 6.059 107 HG3 GLU 18 HG1 GLU 18 47.013 -13.149 7.732 108 H CYS 19 HN CYS 19 47.362 -16.933 7.465 109 HA CYS 19 HA CYS 19 49.296 -18.787 6.704 110 HB2 CYS 19 HB2 CYS 19 48.075 -18.739 8.895 111 HB3 CYS 19 HB1 CYS 19 46.679 -19.436 8.074 112 HG CYS 19 HG CYS 19 48.941 -21.218 7.429 113 H GLU 20 HN GLU 20 46.037 -18.309 5.532 114 HA GLU 20 HA GLU 20 46.099 -20.795 3.992 115 HB2 GLU 20 HB2 GLU 20 43.995 -18.647 4.324 116 HB3 GLU 20 HB1 GLU 20 43.805 -20.055 3.278 117 HG2 GLU 20 HG2 GLU 20 44.483 -20.273 6.219 118 HG3 GLU 20 HG1 GLU 20 42.828 -20.300 5.613 119 H TYR 21 HN TYR 21 47.046 -17.574 3.643 120 HA TYR 21 HA TYR 21 46.482 -17.229 0.854 121 HB2 TYR 21 HB2 TYR 21 46.862 -15.335 2.425 122 HB3 TYR 21 HB1 TYR 21 48.552 -15.824 2.557 123 HD1 TYR 21 HD2 TYR 21 45.975 -14.407 0.335 124 HD2 TYR 21 HD1 TYR 21 50.101 -15.545 0.696 125 HE1 TYR 21 HE2 TYR 21 46.501 -13.161 -1.745 126 HE2 TYR 21 HE1 TYR 21 50.627 -14.299 -1.383 127 HH TYR 21 HH TYR 21 48.419 -13.375 -3.579 128 H THR 22 HN THR 22 49.578 -17.680 2.581 129 HA THR 22 HA THR 22 51.182 -18.139 0.357 130 HB THR 22 HB THR 22 52.592 -19.511 2.012 131 HG1 THR 22 HG1 THR 22 51.412 -20.128 3.637 132 HG21 THR 22 HG21 THR 22 52.754 -17.292 3.511 133 HG22 THR 22 HG22 THR 22 51.784 -16.651 2.185 134 HG23 THR 22 HG23 THR 22 53.368 -17.355 1.859 135 H ASP 23 HN ASP 23 48.709 -20.096 1.658 136 HA ASP 23 HA ASP 23 49.744 -22.528 0.370 137 HB2 ASP 23 HB2 ASP 23 48.373 -22.127 2.749 138 HB3 ASP 23 HB1 ASP 23 47.135 -22.741 1.654 139 H TRP 24 HN TRP 24 46.833 -20.476 0.425 140 HA TRP 24 HA TRP 24 45.245 -21.689 -1.435 141 HB2 TRP 24 HB2 TRP 24 44.195 -19.803 -0.725 142 HB3 TRP 24 HB1 TRP 24 45.697 -18.885 -0.614 143 HD1 TRP 24 HD1 TRP 24 43.017 -19.964 -3.121 144 HE1 TRP 24 HE1 TRP 24 43.179 -18.455 -5.204 145 HE3 TRP 24 HE3 TRP 24 47.266 -17.363 -1.997 146 HZ2 TRP 24 HZ2 TRP 24 44.885 -16.413 -6.255 147 HZ3 TRP 24 HZ3 TRP 24 48.136 -15.644 -3.555 148 HH2 TRP 24 HH2 TRP 24 46.952 -15.166 -5.681 149 H LYS 25 HN LYS 25 47.913 -19.434 -2.139 150 HA LYS 25 HA LYS 25 47.750 -19.288 -4.881 151 HB2 LYS 25 HB2 LYS 25 49.425 -18.130 -3.374 152 HB3 LYS 25 HB1 LYS 25 50.361 -19.626 -3.399 153 HG2 LYS 25 HG2 LYS 25 50.556 -19.515 -5.827 154 HG3 LYS 25 HG1 LYS 25 49.521 -18.087 -5.871 155 HD2 LYS 25 HD2 LYS 25 51.219 -16.941 -4.371 156 HD3 LYS 25 HD1 LYS 25 52.283 -18.319 -4.657 157 HE2 LYS 25 HE2 LYS 25 51.534 -16.110 -6.471 158 HE3 LYS 25 HE1 LYS 25 52.994 -17.098 -6.443 159 HZ1 LYS 25 HZ1 LYS 25 51.726 -18.914 -7.430 160 HZ2 LYS 25 HZ2 LYS 25 51.707 -17.537 -8.424 161 HZ3 LYS 25 HZ3 LYS 25 50.344 -17.932 -7.490 162 H SER 26 HN SER 26 48.765 -21.988 -2.916 163 HA SER 26 HA SER 26 49.628 -23.480 -5.300 164 HB2 SER 26 HB2 SER 26 50.544 -23.404 -2.632 165 HB3 SER 26 HB1 SER 26 49.803 -24.987 -2.853 166 HG SER 26 HG SER 26 51.766 -23.769 -4.510 167 H SER 27 HN SER 27 47.316 -23.603 -2.617 168 HA SER 27 HA SER 27 46.099 -26.052 -3.539 169 HB2 SER 27 HB2 SER 27 45.349 -24.033 -1.425 170 HB3 SER 27 HB1 SER 27 44.353 -25.436 -1.797 171 HG SER 27 HG SER 27 46.777 -25.255 -0.494 172 H GLY 28 HN GLY 28 46.140 -23.153 -4.926 173 HA2 GLY 28 HA2 GLY 28 43.291 -22.862 -5.483 174 HA3 GLY 28 HA1 GLY 28 44.584 -21.817 -6.065 175 H ALA 29 HN ALA 29 45.541 -24.955 -6.524 176 HA ALA 29 HA ALA 29 44.682 -24.891 -9.349 177 HB1 ALA 29 HB1 ALA 29 47.160 -24.871 -8.765 178 HB2 ALA 29 HB2 ALA 29 46.641 -26.136 -9.878 179 HB3 ALA 29 HB3 ALA 29 46.940 -26.521 -8.184 180 H LEU 30 HN LEU 30 42.920 -25.834 -7.313 181 HA LEU 30 HA LEU 30 42.136 -28.313 -8.432 182 HB2 LEU 30 HB2 LEU 30 42.486 -29.750 -6.431 183 HB3 LEU 30 HB1 LEU 30 43.998 -29.250 -7.186 184 HG LEU 30 HG LEU 30 43.381 -27.216 -5.343 185 HD11 LEU 30 HD11 LEU 30 43.122 -28.452 -3.232 186 HD12 LEU 30 HD12 LEU 30 43.045 -29.973 -4.121 187 HD13 LEU 30 HD13 LEU 30 41.760 -28.778 -4.305 188 HD21 LEU 30 HD21 LEU 30 45.306 -29.558 -5.263 189 HD22 LEU 30 HD22 LEU 30 45.374 -28.201 -4.138 190 HD23 LEU 30 HD23 LEU 30 45.633 -27.931 -5.861 191 H ILE 31 HN ILE 31 41.946 -25.959 -5.846 192 HA ILE 31 HA ILE 31 39.434 -26.891 -4.826 193 HB ILE 31 HB ILE 31 40.786 -24.210 -4.454 194 HG12 ILE 31 HG12 ILE 31 41.875 -26.515 -3.688 195 HG13 ILE 31 HG11 ILE 31 41.906 -25.105 -2.633 196 HG21 ILE 31 HG21 ILE 31 38.522 -23.915 -3.864 197 HG22 ILE 31 HG22 ILE 31 39.314 -24.295 -2.335 198 HG23 ILE 31 HG23 ILE 31 38.395 -25.538 -3.186 199 HD11 ILE 31 HD11 ILE 31 39.635 -27.091 -2.515 200 HD12 ILE 31 HD12 ILE 31 40.138 -25.922 -1.295 201 HD13 ILE 31 HD13 ILE 31 41.125 -27.348 -1.610 202 HA PRO 32 HA PRO 32 37.917 -23.100 -7.557 203 HB2 PRO 32 HB2 PRO 32 39.412 -23.779 -10.027 204 HB3 PRO 32 HB1 PRO 32 39.073 -22.192 -9.314 205 HG2 PRO 32 HG2 PRO 32 41.508 -23.282 -9.238 206 HG3 PRO 32 HG1 PRO 32 40.882 -22.282 -7.915 207 HD2 PRO 32 HD2 PRO 32 41.173 -25.258 -8.054 208 HD3 PRO 32 HD1 PRO 32 41.382 -24.167 -6.668 209 H ALA 33 HN ALA 33 38.897 -26.216 -8.935 210 HA ALA 33 HA ALA 33 36.985 -26.688 -10.829 211 HB1 ALA 33 HB1 ALA 33 38.544 -28.370 -8.988 212 HB2 ALA 33 HB2 ALA 33 38.263 -28.552 -10.720 213 HB3 ALA 33 HB3 ALA 33 37.055 -29.116 -9.566 214 H ILE 34 HN ILE 34 36.558 -27.978 -7.533 215 HA ILE 34 HA ILE 34 33.888 -28.561 -7.638 216 HB ILE 34 HB ILE 34 35.682 -27.661 -5.419 217 HG12 ILE 34 HG12 ILE 34 35.370 -30.045 -6.535 218 HG13 ILE 34 HG11 ILE 34 35.592 -29.895 -4.793 219 HG21 ILE 34 HG21 ILE 34 32.674 -27.893 -5.313 220 HG22 ILE 34 HG22 ILE 34 33.705 -26.623 -4.650 221 HG23 ILE 34 HG23 ILE 34 33.666 -28.211 -3.888 222 HD11 ILE 34 HD11 ILE 34 32.832 -29.867 -6.016 223 HD12 ILE 34 HD12 ILE 34 33.295 -30.227 -4.353 224 HD13 ILE 34 HD13 ILE 34 33.646 -31.384 -5.636 225 H TYR 35 HN TYR 35 35.241 -25.460 -6.495 226 HA TYR 35 HA TYR 35 32.989 -24.023 -5.990 227 HB2 TYR 35 HB2 TYR 35 35.697 -23.391 -6.845 228 HB3 TYR 35 HB1 TYR 35 34.527 -22.218 -7.450 229 HD1 TYR 35 HD2 TYR 35 36.024 -23.726 -4.439 230 HD2 TYR 35 HD1 TYR 35 33.200 -20.850 -5.926 231 HE1 TYR 35 HE2 TYR 35 35.875 -22.707 -2.184 232 HE2 TYR 35 HE1 TYR 35 33.051 -19.831 -3.670 233 HH TYR 35 HH TYR 35 33.562 -20.118 -1.487 234 H MET 36 HN MET 36 34.456 -24.467 -9.206 235 HA MET 36 HA MET 36 32.418 -23.053 -10.595 236 HB2 MET 36 HB2 MET 36 34.667 -24.865 -11.377 237 HB3 MET 36 HB1 MET 36 33.423 -24.478 -12.566 238 HG2 MET 36 HG2 MET 36 34.870 -22.361 -10.960 239 HG3 MET 36 HG1 MET 36 35.425 -22.908 -12.542 240 HE1 MET 36 HE1 MET 36 32.764 -19.560 -11.765 241 HE2 MET 36 HE2 MET 36 34.396 -20.030 -11.297 242 HE3 MET 36 HE3 MET 36 33.011 -20.783 -10.510 243 H LEU 37 HN LEU 37 33.182 -26.542 -10.672 244 HA LEU 37 HA LEU 37 30.938 -27.462 -11.951 245 HB2 LEU 37 HB2 LEU 37 32.983 -28.768 -11.059 246 HB3 LEU 37 HB1 LEU 37 32.042 -28.945 -9.578 247 HG LEU 37 HG LEU 37 30.168 -29.615 -11.444 248 HD11 LEU 37 HD11 LEU 37 32.718 -30.883 -12.452 249 HD12 LEU 37 HD12 LEU 37 32.073 -29.406 -13.169 250 HD13 LEU 37 HD13 LEU 37 31.122 -30.891 -13.202 251 HD21 LEU 37 HD21 LEU 37 30.680 -31.964 -10.820 252 HD22 LEU 37 HD22 LEU 37 30.735 -30.893 -9.419 253 HD23 LEU 37 HD23 LEU 37 32.234 -31.441 -10.170 254 H VAL 38 HN VAL 38 31.062 -25.915 -8.927 255 HA VAL 38 HA VAL 38 28.429 -26.986 -8.134 256 HB VAL 38 HB VAL 38 30.613 -25.564 -6.622 257 HG11 VAL 38 HG11 VAL 38 28.894 -25.785 -4.681 258 HG12 VAL 38 HG12 VAL 38 27.685 -25.853 -5.963 259 HG13 VAL 38 HG13 VAL 38 28.718 -24.432 -5.799 260 HG21 VAL 38 HG21 VAL 38 30.747 -28.013 -6.809 261 HG22 VAL 38 HG22 VAL 38 29.093 -28.161 -6.216 262 HG23 VAL 38 HG23 VAL 38 30.359 -27.551 -5.152 263 H PHE 39 HN PHE 39 30.034 -24.193 -9.365 264 HA PHE 39 HA PHE 39 27.781 -22.435 -8.703 265 HB2 PHE 39 HB2 PHE 39 30.121 -21.626 -8.400 266 HB3 PHE 39 HB1 PHE 39 30.363 -21.781 -10.140 267 HD1 PHE 39 HD1 PHE 39 28.298 -20.079 -7.546 268 HD2 PHE 39 HD2 PHE 39 29.584 -20.118 -11.645 269 HE1 PHE 39 HE1 PHE 39 27.270 -17.848 -7.890 270 HE2 PHE 39 HE2 PHE 39 28.556 -17.887 -11.989 271 HZ PHE 39 HZ PHE 39 27.398 -16.752 -10.111 272 H LEU 40 HN LEU 40 28.807 -24.472 -11.201 273 HA LEU 40 HA LEU 40 27.295 -22.958 -13.231 274 HB2 LEU 40 HB2 LEU 40 28.416 -24.327 -14.888 275 HB3 LEU 40 HB1 LEU 40 29.616 -23.659 -13.792 276 HG LEU 40 HG LEU 40 29.310 -25.854 -12.437 277 HD11 LEU 40 HD11 LEU 40 27.635 -26.407 -14.772 278 HD12 LEU 40 HD12 LEU 40 27.795 -27.299 -13.265 279 HD13 LEU 40 HD13 LEU 40 28.923 -27.593 -14.583 280 HD21 LEU 40 HD21 LEU 40 30.830 -27.017 -14.296 281 HD22 LEU 40 HD22 LEU 40 31.413 -25.641 -13.359 282 HD23 LEU 40 HD23 LEU 40 30.788 -25.397 -14.991 283 H LEU 41 HN LEU 41 26.914 -25.388 -11.002 284 HA LEU 41 HA LEU 41 25.016 -26.935 -12.629 285 HB2 LEU 41 HB2 LEU 41 26.795 -27.576 -10.497 286 HB3 LEU 41 HB1 LEU 41 25.152 -27.864 -9.932 287 HG LEU 41 HG LEU 41 26.315 -28.938 -12.520 288 HD11 LEU 41 HD11 LEU 41 26.087 -31.141 -11.306 289 HD12 LEU 41 HD12 LEU 41 25.779 -30.226 -9.831 290 HD13 LEU 41 HD13 LEU 41 27.332 -30.077 -10.652 291 HD21 LEU 41 HD21 LEU 41 24.006 -30.344 -11.683 292 HD22 LEU 41 HD22 LEU 41 24.155 -29.279 -13.081 293 HD23 LEU 41 HD23 LEU 41 23.615 -28.631 -11.533 294 H GLY 42 HN GLY 42 25.182 -25.131 -9.560 295 HA2 GLY 42 HA2 GLY 42 22.249 -25.171 -9.384 296 HA3 GLY 42 HA1 GLY 42 23.356 -24.709 -8.096 297 H THR 43 HN THR 43 24.454 -23.276 -10.882 298 HA THR 43 HA THR 43 22.789 -20.863 -10.503 299 HB THR 43 HB THR 43 25.514 -20.178 -11.178 300 HG1 THR 43 HG1 THR 43 25.164 -21.392 -8.653 301 HG21 THR 43 HG21 THR 43 23.700 -18.718 -10.225 302 HG22 THR 43 HG22 THR 43 25.222 -18.641 -9.337 303 HG23 THR 43 HG23 THR 43 23.876 -19.589 -8.701 304 H THR 44 HN THR 44 22.842 -23.024 -12.544 305 HA THR 44 HA THR 44 23.245 -21.292 -14.904 306 HB THR 44 HB THR 44 23.857 -24.253 -14.798 307 HG1 THR 44 HG1 THR 44 26.010 -23.544 -14.934 308 HG21 THR 44 HG21 THR 44 24.932 -23.695 -17.020 309 HG22 THR 44 HG22 THR 44 24.148 -22.118 -16.921 310 HG23 THR 44 HG23 THR 44 23.172 -23.584 -17.002 311 H GLY 45 HN GLY 45 21.728 -24.273 -13.687 312 HA2 GLY 45 HA2 GLY 45 19.494 -23.846 -15.576 313 HA3 GLY 45 HA1 GLY 45 19.931 -25.395 -14.863 314 H ASN 46 HN ASN 46 20.354 -23.378 -12.388 315 HA ASN 46 HA ASN 46 17.634 -23.848 -11.362 316 HB2 ASN 46 HB2 ASN 46 20.317 -23.495 -10.064 317 HB3 ASN 46 HB1 ASN 46 18.837 -23.232 -9.143 318 HD21 ASN 46 HD21 ASN 46 20.918 -25.666 -10.528 319 HD22 ASN 46 HD22 ASN 46 20.002 -27.009 -10.037 320 H GLY 47 HN GLY 47 20.185 -21.354 -11.176 321 HA2 GLY 47 HA2 GLY 47 18.596 -19.297 -10.136 322 HA3 GLY 47 HA1 GLY 47 20.060 -19.057 -11.085 323 H LEU 48 HN LEU 48 19.322 -20.132 -13.520 324 HA LEU 48 HA LEU 48 17.973 -18.015 -14.754 325 HB2 LEU 48 HB2 LEU 48 19.483 -19.647 -15.905 326 HB3 LEU 48 HB1 LEU 48 18.207 -20.855 -15.778 327 HG LEU 48 HG LEU 48 16.687 -19.345 -17.058 328 HD11 LEU 48 HD11 LEU 48 18.165 -17.550 -18.383 329 HD12 LEU 48 HD12 LEU 48 19.092 -17.579 -16.885 330 HD13 LEU 48 HD13 LEU 48 17.381 -17.155 -16.854 331 HD21 LEU 48 HD21 LEU 48 19.299 -20.302 -18.202 332 HD22 LEU 48 HD22 LEU 48 18.141 -19.466 -19.237 333 HD23 LEU 48 HD23 LEU 48 17.679 -20.963 -18.427 334 H VAL 49 HN VAL 49 16.787 -21.259 -13.883 335 HA VAL 49 HA VAL 49 14.160 -20.933 -14.830 336 HB VAL 49 HB VAL 49 15.410 -22.700 -12.742 337 HG11 VAL 49 HG11 VAL 49 12.499 -22.258 -13.350 338 HG12 VAL 49 HG12 VAL 49 13.281 -22.503 -11.789 339 HG13 VAL 49 HG13 VAL 49 13.066 -23.864 -12.890 340 HG21 VAL 49 HG21 VAL 49 15.712 -23.095 -15.218 341 HG22 VAL 49 HG22 VAL 49 13.966 -23.316 -15.336 342 HG23 VAL 49 HG23 VAL 49 14.933 -24.429 -14.367 343 H LEU 50 HN LEU 50 15.067 -21.028 -11.384 344 HA LEU 50 HA LEU 50 12.814 -19.995 -10.265 345 HB2 LEU 50 HB2 LEU 50 15.694 -19.490 -9.507 346 HB3 LEU 50 HB1 LEU 50 14.333 -18.993 -8.502 347 HG LEU 50 HG LEU 50 14.358 -21.815 -9.470 348 HD11 LEU 50 HD11 LEU 50 15.771 -22.413 -7.452 349 HD12 LEU 50 HD12 LEU 50 16.195 -20.706 -7.331 350 HD13 LEU 50 HD13 LEU 50 16.652 -21.628 -8.763 351 HD21 LEU 50 HD21 LEU 50 12.579 -20.651 -8.017 352 HD22 LEU 50 HD22 LEU 50 13.777 -20.696 -6.722 353 HD23 LEU 50 HD23 LEU 50 13.190 -22.200 -7.433 354 H TRP 51 HN TRP 51 15.252 -18.250 -12.069 355 HA TRP 51 HA TRP 51 14.312 -15.630 -11.337 356 HB2 TRP 51 HB2 TRP 51 16.613 -15.879 -12.022 357 HB3 TRP 51 HB1 TRP 51 16.127 -16.593 -13.559 358 HD1 TRP 51 HD1 TRP 51 16.345 -13.275 -11.718 359 HE1 TRP 51 HE1 TRP 51 15.954 -11.357 -13.396 360 HE3 TRP 51 HE3 TRP 51 14.935 -15.965 -15.823 361 HZ2 TRP 51 HZ2 TRP 51 15.150 -11.009 -16.119 362 HZ3 TRP 51 HZ3 TRP 51 14.363 -14.817 -17.943 363 HH2 TRP 51 HH2 TRP 51 14.468 -12.344 -18.096 364 H THR 52 HN THR 52 14.072 -17.630 -14.282 365 HA THR 52 HA THR 52 12.413 -15.843 -15.715 366 HB THR 52 HB THR 52 13.040 -18.771 -15.937 367 HG1 THR 52 HG1 THR 52 13.338 -17.420 -18.160 368 HG21 THR 52 HG21 THR 52 11.656 -18.573 -18.130 369 HG22 THR 52 HG22 THR 52 10.846 -17.236 -17.314 370 HG23 THR 52 HG23 THR 52 10.792 -18.856 -16.619 371 H VAL 53 HN VAL 53 11.693 -18.580 -13.583 372 HA VAL 53 HA VAL 53 8.914 -18.670 -13.983 373 HB VAL 53 HB VAL 53 10.721 -19.501 -11.733 374 HG11 VAL 53 HG11 VAL 53 8.537 -20.620 -10.854 375 HG12 VAL 53 HG12 VAL 53 7.713 -19.356 -11.769 376 HG13 VAL 53 HG13 VAL 53 8.825 -18.924 -10.469 377 HG21 VAL 53 HG21 VAL 53 8.776 -21.242 -13.203 378 HG22 VAL 53 HG22 VAL 53 10.370 -21.640 -12.562 379 HG23 VAL 53 HG23 VAL 53 10.226 -20.706 -14.050 380 H PHE 54 HN PHE 54 10.858 -16.882 -11.605 381 HA PHE 54 HA PHE 54 8.744 -15.725 -10.170 382 HB2 PHE 54 HB2 PHE 54 11.617 -15.361 -10.402 383 HB3 PHE 54 HB1 PHE 54 10.786 -13.819 -10.193 384 HD1 PHE 54 HD2 PHE 54 11.048 -17.268 -8.784 385 HD2 PHE 54 HD1 PHE 54 9.921 -13.182 -8.089 386 HE1 PHE 54 HE2 PHE 54 10.714 -17.769 -6.378 387 HE2 PHE 54 HE1 PHE 54 9.587 -13.683 -5.684 388 HZ PHE 54 HZ PHE 54 9.983 -15.977 -4.828 389 H ARG 55 HN ARG 55 9.756 -15.203 -13.373 390 HA ARG 55 HA ARG 55 8.371 -12.591 -13.487 391 HB2 ARG 55 HB2 ARG 55 10.647 -13.779 -15.012 392 HB3 ARG 55 HB1 ARG 55 9.585 -12.644 -15.844 393 HG2 ARG 55 HG2 ARG 55 10.212 -10.862 -14.515 394 HG3 ARG 55 HG1 ARG 55 10.551 -11.886 -13.119 395 HD2 ARG 55 HD2 ARG 55 12.268 -12.189 -15.551 396 HD3 ARG 55 HD1 ARG 55 12.525 -10.791 -14.511 397 HE ARG 55 HE ARG 55 13.274 -13.478 -13.925 398 HH11 ARG 55 HH21 ARG 55 12.009 -10.567 -12.549 399 HH12 ARG 55 HH22 ARG 55 12.615 -10.890 -10.959 400 HH21 ARG 55 HH11 ARG 55 14.069 -13.912 -11.841 401 HH22 ARG 55 HH12 ARG 55 13.782 -12.784 -10.558 402 H LYS 56 HN LYS 56 7.658 -15.714 -13.852 403 HA LYS 56 HA LYS 56 5.885 -15.227 -16.172 404 HB2 LYS 56 HB2 LYS 56 6.407 -17.239 -17.074 405 HB3 LYS 56 HB1 LYS 56 7.867 -17.082 -16.105 406 HG2 LYS 56 HG2 LYS 56 6.618 -18.280 -14.231 407 HG3 LYS 56 HG1 LYS 56 5.346 -18.621 -15.405 408 HD2 LYS 56 HD2 LYS 56 8.178 -19.334 -16.105 409 HD3 LYS 56 HD1 LYS 56 7.279 -20.370 -15.001 410 HE2 LYS 56 HE2 LYS 56 6.012 -19.490 -17.580 411 HE3 LYS 56 HE1 LYS 56 7.149 -20.837 -17.574 412 HZ1 LYS 56 HZ1 LYS 56 4.705 -21.369 -17.234 413 HZ2 LYS 56 HZ2 LYS 56 4.886 -20.712 -15.678 414 HZ3 LYS 56 HZ3 LYS 56 5.803 -22.064 -16.145 415 H LYS 57 HN LYS 57 6.224 -16.369 -12.906 416 HA LYS 57 HA LYS 57 3.390 -17.162 -12.822 417 HB2 LYS 57 HB2 LYS 57 5.179 -18.687 -11.891 418 HB3 LYS 57 HB1 LYS 57 5.464 -17.470 -10.645 419 HG2 LYS 57 HG2 LYS 57 2.693 -17.779 -10.658 420 HG3 LYS 57 HG1 LYS 57 3.306 -19.421 -10.860 421 HD2 LYS 57 HD2 LYS 57 4.159 -17.478 -8.692 422 HD3 LYS 57 HD1 LYS 57 3.079 -18.855 -8.469 423 HE2 LYS 57 HE2 LYS 57 4.899 -20.122 -8.074 424 HE3 LYS 57 HE1 LYS 57 5.346 -19.897 -9.765 425 HZ1 LYS 57 HZ1 LYS 57 7.149 -18.914 -8.918 426 HZ2 LYS 57 HZ2 LYS 57 6.441 -18.678 -7.391 427 HZ3 LYS 57 HZ3 LYS 57 6.135 -17.581 -8.652 428 H GLY 58 HN GLY 58 5.710 -14.877 -11.491 429 HA2 GLY 58 HA2 GLY 58 3.808 -13.709 -9.645 430 HA3 GLY 58 HA1 GLY 58 5.435 -13.124 -9.985 431 H HIS 59 HN HIS 59 4.960 -13.113 -12.898 432 HA HIS 59 HA HIS 59 4.174 -10.451 -13.242 433 HB2 HIS 59 HB2 HIS 59 4.641 -10.787 -15.447 434 HB3 HIS 59 HB1 HIS 59 5.346 -12.285 -14.841 435 HD2 HIS 59 HD2 HIS 59 2.855 -14.255 -14.571 436 HE1 HIS 59 HE1 HIS 59 1.657 -12.988 -18.416 437 HE2 HIS 59 HE2 HIS 59 1.358 -14.783 -16.645 438 H HIS 60 HN HIS 60 2.291 -13.321 -12.905 439 HA HIS 60 HA HIS 60 -0.039 -12.826 -14.266 440 HB2 HIS 60 HB2 HIS 60 0.663 -14.693 -12.498 441 HB3 HIS 60 HB1 HIS 60 -0.311 -13.686 -11.425 442 HD2 HIS 60 HD2 HIS 60 -0.857 -16.390 -14.069 443 HE1 HIS 60 HE1 HIS 60 -4.575 -14.440 -13.620 444 HE2 HIS 60 HE2 HIS 60 -3.410 -16.465 -14.616 445 H HIS 61 HN HIS 61 0.982 -11.422 -11.175 446 HA HIS 61 HA HIS 61 -0.988 -9.275 -11.577 447 HB2 HIS 61 HB2 HIS 61 -0.570 -10.634 -8.909 448 HB3 HIS 61 HB1 HIS 61 -1.748 -9.379 -9.297 449 HD2 HIS 61 HD2 HIS 61 -3.502 -10.421 -11.624 450 HE1 HIS 61 HE1 HIS 61 -3.416 -14.291 -9.938 451 HE2 HIS 61 HE2 HIS 61 -4.601 -12.790 -11.608 452 H HIS 62 HN HIS 62 -0.477 -7.987 -9.121 453 HA HIS 62 HA HIS 62 2.220 -6.959 -9.664 454 HB2 HIS 62 HB2 HIS 62 -0.029 -5.823 -7.983 455 HB3 HIS 62 HB1 HIS 62 1.517 -5.031 -8.294 456 HD2 HIS 62 HD2 HIS 62 -0.303 -3.081 -9.669 457 HE1 HIS 62 HE1 HIS 62 -0.552 -5.508 -13.114 458 HE2 HIS 62 HE2 HIS 62 -0.993 -3.186 -12.184 459 H HIS 63 HN HIS 63 0.218 -7.587 -6.771 460 HA HIS 63 HA HIS 63 2.685 -8.148 -5.265 461 HB2 HIS 63 HB2 HIS 63 1.332 -7.839 -3.265 462 HB3 HIS 63 HB1 HIS 63 1.107 -6.462 -4.345 463 HD2 HIS 63 HD2 HIS 63 -1.467 -6.333 -5.594 464 HE1 HIS 63 HE1 HIS 63 -3.166 -9.470 -3.336 465 HE2 HIS 63 HE2 HIS 63 -3.671 -7.583 -4.959 466 H HIS 64 HN HIS 64 1.874 -10.105 -7.098 467 HA HIS 64 HA HIS 64 1.214 -12.315 -7.291 468 HB2 HIS 64 HB2 HIS 64 2.394 -12.431 -4.507 469 HB3 HIS 64 HB1 HIS 64 2.267 -13.759 -5.661 470 HD2 HIS 64 HD2 HIS 64 3.347 -11.606 -8.198 471 HE1 HIS 64 HE1 HIS 64 6.937 -11.911 -5.998 472 HE2 HIS 64 HE2 HIS 64 5.932 -11.240 -8.231 Start of MODEL 31 1 H1 MET 1 HT1 MET 1 40.404 -33.930 20.829 2 H2 MET 1 HT2 MET 1 38.835 -34.160 21.440 3 H3 MET 1 HT3 MET 1 39.738 -32.795 21.899 4 HA MET 1 HA MET 1 39.573 -32.873 19.092 5 HB2 MET 1 HB2 MET 1 37.143 -33.644 20.584 6 HB3 MET 1 HB1 MET 1 36.918 -32.314 19.449 7 HG2 MET 1 HG2 MET 1 36.538 -34.558 18.409 8 HG3 MET 1 HG1 MET 1 37.832 -33.646 17.630 9 HE1 MET 1 HE1 MET 1 37.255 -36.861 17.531 10 HE2 MET 1 HE2 MET 1 38.932 -37.387 17.425 11 HE3 MET 1 HE3 MET 1 38.410 -35.952 16.547 12 H GLU 2 HN GLU 2 38.581 -30.754 18.379 13 HA GLU 2 HA GLU 2 39.263 -28.692 20.362 14 HB2 GLU 2 HB2 GLU 2 39.105 -28.723 17.356 15 HB3 GLU 2 HB1 GLU 2 39.131 -27.204 18.254 16 HG2 GLU 2 HG2 GLU 2 41.406 -28.036 17.516 17 HG3 GLU 2 HG1 GLU 2 41.255 -27.735 19.247 18 H GLU 3 HN GLU 3 37.853 -27.077 20.948 19 HA GLU 3 HA GLU 3 35.369 -26.555 19.694 20 HB2 GLU 3 HB2 GLU 3 33.878 -27.468 21.473 21 HB3 GLU 3 HB1 GLU 3 34.697 -28.726 20.547 22 HG2 GLU 3 HG2 GLU 3 36.427 -28.031 22.685 23 HG3 GLU 3 HG1 GLU 3 34.816 -28.221 23.375 24 H GLY 4 HN GLY 4 33.984 -25.110 21.058 25 HA2 GLY 4 HA2 GLY 4 33.736 -23.631 22.921 26 HA3 GLY 4 HA1 GLY 4 35.464 -23.780 23.228 27 H GLY 5 HN GLY 5 33.506 -21.470 22.616 28 HA2 GLY 5 HA2 GLY 5 33.909 -20.221 20.223 29 HA3 GLY 5 HA1 GLY 5 33.834 -19.348 21.751 30 H ASP 6 HN ASP 6 35.365 -18.315 19.756 31 HA ASP 6 HA ASP 6 37.972 -18.264 20.976 32 HB2 ASP 6 HB2 ASP 6 37.949 -20.312 19.417 33 HB3 ASP 6 HB1 ASP 6 37.912 -19.145 18.097 34 H PHE 7 HN PHE 7 36.360 -16.188 20.860 35 HA PHE 7 HA PHE 7 36.757 -14.647 18.427 36 HB2 PHE 7 HB2 PHE 7 34.720 -14.645 20.134 37 HB3 PHE 7 HB1 PHE 7 35.703 -13.417 20.933 38 HD1 PHE 7 HD1 PHE 7 34.060 -14.339 17.728 39 HD2 PHE 7 HD2 PHE 7 35.972 -11.233 19.998 40 HE1 PHE 7 HE1 PHE 7 33.336 -12.666 16.048 41 HE2 PHE 7 HE2 PHE 7 35.248 -9.559 18.318 42 HZ PHE 7 HZ PHE 7 33.931 -10.276 16.342 43 H ASP 8 HN ASP 8 39.194 -15.367 19.534 44 HA ASP 8 HA ASP 8 40.166 -12.949 20.906 45 HB2 ASP 8 HB2 ASP 8 41.763 -15.448 20.382 46 HB3 ASP 8 HB1 ASP 8 42.026 -14.216 21.614 47 H ASN 9 HN ASN 9 39.480 -12.605 18.233 48 HA ASN 9 HA ASN 9 41.417 -13.016 16.302 49 HB2 ASN 9 HB2 ASN 9 40.567 -10.769 15.366 50 HB3 ASN 9 HB1 ASN 9 39.394 -12.070 15.562 51 HD21 ASN 9 HD21 ASN 9 40.142 -8.828 16.476 52 HD22 ASN 9 HD22 ASN 9 38.917 -8.643 17.637 53 H TYR 10 HN TYR 10 42.708 -11.086 15.305 54 HA TYR 10 HA TYR 10 44.564 -9.752 15.451 55 HB2 TYR 10 HB2 TYR 10 42.618 -8.520 16.844 56 HB3 TYR 10 HB1 TYR 10 43.817 -8.722 18.122 57 HD1 TYR 10 HD1 TYR 10 43.604 -7.684 14.521 58 HD2 TYR 10 HD2 TYR 10 45.492 -7.103 18.336 59 HE1 TYR 10 HE1 TYR 10 44.909 -5.793 13.588 60 HE2 TYR 10 HE2 TYR 10 46.797 -5.212 17.403 61 HH TYR 10 HH TYR 10 46.046 -3.716 14.506 62 H TYR 11 HN TYR 11 46.601 -10.264 15.946 63 HA TYR 11 HA TYR 11 48.370 -11.348 16.939 64 HB2 TYR 11 HB2 TYR 11 46.917 -10.028 19.209 65 HB3 TYR 11 HB1 TYR 11 48.309 -11.055 19.547 66 HD1 TYR 11 HD2 TYR 11 47.369 -8.466 16.991 67 HD2 TYR 11 HD1 TYR 11 50.341 -9.933 19.723 68 HE1 TYR 11 HE2 TYR 11 48.888 -6.623 16.326 69 HE2 TYR 11 HE1 TYR 11 51.861 -8.090 19.059 70 HH TYR 11 HH TYR 11 50.791 -5.417 17.172 71 H GLY 12 HN GLY 12 46.233 -13.019 16.220 72 HA2 GLY 12 HA2 GLY 12 46.846 -15.448 17.266 73 HA3 GLY 12 HA1 GLY 12 45.633 -14.835 18.386 74 H ALA 13 HN ALA 13 45.553 -13.904 15.051 75 HA ALA 13 HA ALA 13 43.311 -15.767 14.548 76 HB1 ALA 13 HB1 ALA 13 43.182 -12.942 14.755 77 HB2 ALA 13 HB2 ALA 13 41.906 -14.050 14.252 78 HB3 ALA 13 HB3 ALA 13 42.987 -13.346 13.050 79 H ASP 14 HN ASP 14 46.100 -14.046 13.360 80 HA ASP 14 HA ASP 14 45.748 -15.112 10.654 81 HB2 ASP 14 HB2 ASP 14 47.864 -13.293 11.826 82 HB3 ASP 14 HB1 ASP 14 47.763 -13.771 10.132 83 H ASN 15 HN ASN 15 47.517 -15.701 13.574 84 HA ASN 15 HA ASN 15 49.731 -17.110 12.594 85 HB2 ASN 15 HB2 ASN 15 48.488 -16.649 15.129 86 HB3 ASN 15 HB1 ASN 15 48.854 -18.367 14.985 87 HD21 ASN 15 HD21 ASN 15 50.249 -15.222 15.464 88 HD22 ASN 15 HD22 ASN 15 51.872 -15.721 15.483 89 H GLN 16 HN GLN 16 46.382 -17.991 12.819 90 HA GLN 16 HA GLN 16 46.943 -20.828 12.370 91 HB2 GLN 16 HB2 GLN 16 44.617 -21.193 12.719 92 HB3 GLN 16 HB1 GLN 16 45.097 -19.984 13.911 93 HG2 GLN 16 HG2 GLN 16 43.226 -18.938 13.060 94 HG3 GLN 16 HG1 GLN 16 44.436 -18.313 11.940 95 HE21 GLN 16 HE21 GLN 16 43.276 -18.231 9.977 96 HE22 GLN 16 HE22 GLN 16 42.491 -19.569 9.287 97 H SER 17 HN SER 17 46.006 -17.968 10.634 98 HA SER 17 HA SER 17 44.951 -19.320 8.329 99 HB2 SER 17 HB2 SER 17 44.467 -17.235 7.567 100 HB3 SER 17 HB1 SER 17 44.799 -16.766 9.231 101 HG SER 17 HG SER 17 46.201 -15.523 8.220 102 H GLU 18 HN GLU 18 48.016 -17.632 9.028 103 HA GLU 18 HA GLU 18 49.322 -17.956 6.627 104 HB2 GLU 18 HB2 GLU 18 51.324 -17.581 7.779 105 HB3 GLU 18 HB1 GLU 18 50.119 -16.855 8.843 106 HG2 GLU 18 HG2 GLU 18 50.020 -19.215 9.948 107 HG3 GLU 18 HG1 GLU 18 51.574 -19.470 9.154 108 H CYS 19 HN CYS 19 48.560 -20.370 9.019 109 HA CYS 19 HA CYS 19 50.387 -22.368 8.118 110 HB2 CYS 19 HB2 CYS 19 49.108 -22.241 10.360 111 HB3 CYS 19 HB1 CYS 19 47.761 -22.950 9.469 112 HG CYS 19 HG CYS 19 50.543 -24.382 9.569 113 H GLU 20 HN GLU 20 47.184 -21.355 7.152 114 HA GLU 20 HA GLU 20 46.854 -23.680 5.403 115 HB2 GLU 20 HB2 GLU 20 45.063 -21.334 6.064 116 HB3 GLU 20 HB1 GLU 20 44.649 -22.571 4.876 117 HG2 GLU 20 HG2 GLU 20 45.490 -23.372 7.649 118 HG3 GLU 20 HG1 GLU 20 43.831 -22.861 7.344 119 H TYR 21 HN TYR 21 48.036 -20.475 5.296 120 HA TYR 21 HA TYR 21 47.455 -19.857 2.575 121 HB2 TYR 21 HB2 TYR 21 48.037 -18.083 4.117 122 HB3 TYR 21 HB1 TYR 21 49.600 -18.830 4.447 123 HD1 TYR 21 HD1 TYR 21 51.315 -18.998 2.618 124 HD2 TYR 21 HD2 TYR 21 47.685 -16.745 2.165 125 HE1 TYR 21 HE1 TYR 21 52.297 -17.805 0.679 126 HE2 TYR 21 HE2 TYR 21 48.668 -15.553 0.226 127 HH TYR 21 HH TYR 21 51.975 -15.654 -0.509 128 H THR 22 HN THR 22 50.343 -21.161 4.203 129 HA THR 22 HA THR 22 51.961 -21.413 1.920 130 HB THR 22 HB THR 22 53.116 -23.222 3.293 131 HG1 THR 22 HG1 THR 22 50.871 -22.632 4.845 132 HG21 THR 22 HG21 THR 22 53.963 -21.599 4.927 133 HG22 THR 22 HG22 THR 22 52.568 -20.560 4.635 134 HG23 THR 22 HG23 THR 22 53.752 -20.828 3.354 135 H ASP 23 HN ASP 23 49.147 -23.102 2.821 136 HA ASP 23 HA ASP 23 49.816 -25.406 1.110 137 HB2 ASP 23 HB2 ASP 23 48.221 -25.048 3.497 138 HB3 ASP 23 HB1 ASP 23 47.261 -25.769 2.206 139 H TRP 24 HN TRP 24 47.257 -22.984 1.627 140 HA TRP 24 HA TRP 24 45.504 -23.578 -0.383 141 HB2 TRP 24 HB2 TRP 24 44.860 -21.742 0.877 142 HB3 TRP 24 HB1 TRP 24 46.447 -20.980 0.769 143 HD1 TRP 24 HD1 TRP 24 43.513 -21.889 -1.586 144 HE1 TRP 24 HE1 TRP 24 43.349 -20.065 -3.400 145 HE3 TRP 24 HE3 TRP 24 47.522 -19.000 -0.297 146 HZ2 TRP 24 HZ2 TRP 24 44.736 -17.694 -4.200 147 HZ3 TRP 24 HZ3 TRP 24 48.077 -16.967 -1.600 148 HH2 TRP 24 HH2 TRP 24 46.691 -16.311 -3.549 149 H LYS 25 HN LYS 25 48.590 -21.860 -0.699 150 HA LYS 25 HA LYS 25 48.474 -21.041 -3.333 151 HB2 LYS 25 HB2 LYS 25 50.863 -22.213 -1.888 152 HB3 LYS 25 HB1 LYS 25 50.930 -21.233 -3.353 153 HG2 LYS 25 HG2 LYS 25 49.342 -19.756 -1.572 154 HG3 LYS 25 HG1 LYS 25 50.669 -20.378 -0.590 155 HD2 LYS 25 HD2 LYS 25 51.400 -18.279 -1.517 156 HD3 LYS 25 HD1 LYS 25 52.256 -19.555 -2.382 157 HE2 LYS 25 HE2 LYS 25 51.460 -18.683 -4.300 158 HE3 LYS 25 HE1 LYS 25 49.850 -19.195 -3.792 159 HZ1 LYS 25 HZ1 LYS 25 50.699 -16.791 -2.495 160 HZ2 LYS 25 HZ2 LYS 25 49.266 -17.112 -3.350 161 HZ3 LYS 25 HZ3 LYS 25 50.665 -16.626 -4.183 162 H SER 26 HN SER 26 49.095 -24.266 -2.052 163 HA SER 26 HA SER 26 49.476 -25.327 -4.759 164 HB2 SER 26 HB2 SER 26 49.451 -27.133 -2.404 165 HB3 SER 26 HB1 SER 26 50.525 -27.115 -3.800 166 HG SER 26 HG SER 26 51.584 -26.418 -1.898 167 H SER 27 HN SER 27 47.336 -25.691 -1.950 168 HA SER 27 HA SER 27 45.626 -27.620 -3.172 169 HB2 SER 27 HB2 SER 27 45.574 -25.951 -0.711 170 HB3 SER 27 HB1 SER 27 44.032 -26.570 -1.294 171 HG SER 27 HG SER 27 44.609 -28.434 -0.541 172 H GLY 28 HN GLY 28 46.058 -24.319 -3.698 173 HA2 GLY 28 HA2 GLY 28 43.312 -23.699 -4.396 174 HA3 GLY 28 HA1 GLY 28 44.710 -22.647 -4.605 175 H ALA 29 HN ALA 29 45.445 -25.662 -5.814 176 HA ALA 29 HA ALA 29 44.940 -24.745 -8.567 177 HB1 ALA 29 HB1 ALA 29 46.647 -26.425 -9.199 178 HB2 ALA 29 HB2 ALA 29 46.823 -26.862 -7.500 179 HB3 ALA 29 HB3 ALA 29 47.272 -25.247 -8.045 180 H LEU 30 HN LEU 30 43.582 -26.717 -6.283 181 HA LEU 30 HA LEU 30 42.311 -28.391 -8.360 182 HB2 LEU 30 HB2 LEU 30 42.289 -30.284 -6.815 183 HB3 LEU 30 HB1 LEU 30 43.947 -29.745 -7.090 184 HG LEU 30 HG LEU 30 43.148 -28.191 -4.945 185 HD11 LEU 30 HD11 LEU 30 42.137 -29.736 -3.336 186 HD12 LEU 30 HD12 LEU 30 42.099 -31.011 -4.555 187 HD13 LEU 30 HD13 LEU 30 41.090 -29.576 -4.746 188 HD21 LEU 30 HD21 LEU 30 44.602 -30.851 -5.048 189 HD22 LEU 30 HD22 LEU 30 44.577 -29.806 -3.626 190 HD23 LEU 30 HD23 LEU 30 45.320 -29.241 -5.123 191 H ILE 31 HN ILE 31 41.924 -26.093 -6.004 192 HA ILE 31 HA ILE 31 39.412 -27.004 -4.919 193 HB ILE 31 HB ILE 31 41.071 -24.527 -4.635 194 HG12 ILE 31 HG12 ILE 31 39.742 -26.279 -2.560 195 HG13 ILE 31 HG11 ILE 31 41.313 -26.673 -3.259 196 HG21 ILE 31 HG21 ILE 31 39.150 -23.761 -3.074 197 HG22 ILE 31 HG22 ILE 31 38.134 -24.845 -4.022 198 HG23 ILE 31 HG23 ILE 31 38.953 -23.492 -4.806 199 HD11 ILE 31 HD11 ILE 31 42.262 -24.594 -2.465 200 HD12 ILE 31 HD12 ILE 31 41.457 -25.377 -1.105 201 HD13 ILE 31 HD13 ILE 31 40.680 -24.025 -1.930 202 HA PRO 32 HA PRO 32 37.946 -23.485 -8.032 203 HB2 PRO 32 HB2 PRO 32 39.543 -24.388 -10.368 204 HB3 PRO 32 HB1 PRO 32 39.146 -22.742 -9.839 205 HG2 PRO 32 HG2 PRO 32 41.595 -23.756 -9.550 206 HG3 PRO 32 HG1 PRO 32 40.890 -22.652 -8.357 207 HD2 PRO 32 HD2 PRO 32 41.249 -25.620 -8.199 208 HD3 PRO 32 HD1 PRO 32 41.372 -24.399 -6.915 209 H ALA 33 HN ALA 33 38.869 -26.784 -8.765 210 HA ALA 33 HA ALA 33 37.015 -27.410 -10.765 211 HB1 ALA 33 HB1 ALA 33 38.692 -28.881 -8.871 212 HB2 ALA 33 HB2 ALA 33 38.296 -29.252 -10.549 213 HB3 ALA 33 HB3 ALA 33 37.189 -29.720 -9.258 214 H ILE 34 HN ILE 34 36.687 -28.321 -7.328 215 HA ILE 34 HA ILE 34 34.006 -29.013 -7.387 216 HB ILE 34 HB ILE 34 35.829 -27.994 -5.238 217 HG12 ILE 34 HG12 ILE 34 35.565 -30.429 -6.255 218 HG13 ILE 34 HG11 ILE 34 35.806 -30.205 -4.524 219 HG21 ILE 34 HG21 ILE 34 33.841 -26.978 -4.476 220 HG22 ILE 34 HG22 ILE 34 33.846 -28.539 -3.659 221 HG23 ILE 34 HG23 ILE 34 32.832 -28.293 -5.080 222 HD11 ILE 34 HD11 ILE 34 33.030 -30.294 -5.703 223 HD12 ILE 34 HD12 ILE 34 33.527 -30.578 -4.036 224 HD13 ILE 34 HD13 ILE 34 33.889 -31.773 -5.280 225 H TYR 35 HN TYR 35 35.462 -25.826 -6.828 226 HA TYR 35 HA TYR 35 33.157 -24.388 -6.198 227 HB2 TYR 35 HB2 TYR 35 35.868 -23.796 -6.981 228 HB3 TYR 35 HB1 TYR 35 34.751 -22.697 -7.790 229 HD1 TYR 35 HD1 TYR 35 35.555 -24.147 -4.436 230 HD2 TYR 35 HD2 TYR 35 33.798 -20.892 -6.620 231 HE1 TYR 35 HE1 TYR 35 35.256 -22.888 -2.320 232 HE2 TYR 35 HE2 TYR 35 33.500 -19.633 -4.505 233 HH TYR 35 HH TYR 35 33.408 -19.932 -2.187 234 H MET 36 HN MET 36 34.699 -24.686 -9.408 235 HA MET 36 HA MET 36 32.626 -23.433 -10.842 236 HB2 MET 36 HB2 MET 36 34.944 -25.173 -11.522 237 HB3 MET 36 HB1 MET 36 33.672 -25.007 -12.734 238 HG2 MET 36 HG2 MET 36 34.949 -22.633 -11.356 239 HG3 MET 36 HG1 MET 36 35.537 -23.286 -12.885 240 HE1 MET 36 HE1 MET 36 34.356 -20.405 -11.947 241 HE2 MET 36 HE2 MET 36 32.988 -21.094 -11.076 242 HE3 MET 36 HE3 MET 36 32.703 -20.052 -12.468 243 H LEU 37 HN LEU 37 33.374 -26.916 -10.560 244 HA LEU 37 HA LEU 37 31.219 -27.959 -11.921 245 HB2 LEU 37 HB2 LEU 37 33.043 -29.341 -11.036 246 HB3 LEU 37 HB1 LEU 37 32.477 -29.048 -9.391 247 HG LEU 37 HG LEU 37 30.352 -30.006 -11.165 248 HD11 LEU 37 HD11 LEU 37 32.172 -31.250 -12.212 249 HD12 LEU 37 HD12 LEU 37 31.217 -32.350 -11.218 250 HD13 LEU 37 HD13 LEU 37 32.772 -31.757 -10.633 251 HD21 LEU 37 HD21 LEU 37 30.215 -29.858 -8.691 252 HD22 LEU 37 HD22 LEU 37 31.522 -31.036 -8.558 253 HD23 LEU 37 HD23 LEU 37 29.972 -31.512 -9.253 254 H VAL 38 HN VAL 38 31.268 -26.425 -8.798 255 HA VAL 38 HA VAL 38 28.522 -27.287 -8.223 256 HB VAL 38 HB VAL 38 30.600 -25.812 -6.603 257 HG11 VAL 38 HG11 VAL 38 28.767 -26.121 -4.776 258 HG12 VAL 38 HG12 VAL 38 27.653 -26.231 -6.139 259 HG13 VAL 38 HG13 VAL 38 28.611 -24.770 -5.899 260 HG21 VAL 38 HG21 VAL 38 29.144 -28.420 -6.083 261 HG22 VAL 38 HG22 VAL 38 30.545 -27.786 -5.219 262 HG23 VAL 38 HG23 VAL 38 30.710 -28.330 -6.888 263 H PHE 39 HN PHE 39 30.306 -24.600 -9.438 264 HA PHE 39 HA PHE 39 28.288 -22.613 -8.856 265 HB2 PHE 39 HB2 PHE 39 30.780 -22.164 -9.138 266 HB3 PHE 39 HB1 PHE 39 30.527 -22.387 -10.869 267 HD1 PHE 39 HD1 PHE 39 28.932 -20.892 -12.101 268 HD2 PHE 39 HD2 PHE 39 30.067 -20.169 -8.022 269 HE1 PHE 39 HE1 PHE 39 28.104 -18.562 -12.285 270 HE2 PHE 39 HE2 PHE 39 29.239 -17.839 -8.205 271 HZ PHE 39 HZ PHE 39 28.259 -17.035 -10.337 272 H LEU 40 HN LEU 40 29.547 -24.029 -11.887 273 HA LEU 40 HA LEU 40 27.476 -22.987 -13.518 274 HB2 LEU 40 HB2 LEU 40 28.294 -24.596 -15.204 275 HB3 LEU 40 HB1 LEU 40 29.621 -23.711 -14.450 276 HG LEU 40 HG LEU 40 29.285 -25.906 -12.781 277 HD11 LEU 40 HD11 LEU 40 29.201 -26.878 -15.649 278 HD12 LEU 40 HD12 LEU 40 27.778 -26.831 -14.608 279 HD13 LEU 40 HD13 LEU 40 29.149 -27.854 -14.180 280 HD21 LEU 40 HD21 LEU 40 31.164 -25.453 -15.120 281 HD22 LEU 40 HD22 LEU 40 31.406 -26.688 -13.886 282 HD23 LEU 40 HD23 LEU 40 31.433 -24.982 -13.443 283 H LEU 41 HN LEU 41 27.189 -25.119 -11.073 284 HA LEU 41 HA LEU 41 25.223 -26.851 -12.410 285 HB2 LEU 41 HB2 LEU 41 27.036 -27.157 -10.171 286 HB3 LEU 41 HB1 LEU 41 25.383 -27.561 -9.706 287 HG LEU 41 HG LEU 41 26.733 -28.639 -12.195 288 HD11 LEU 41 HD11 LEU 41 27.868 -30.031 -10.836 289 HD12 LEU 41 HD12 LEU 41 26.319 -30.700 -10.322 290 HD13 LEU 41 HD13 LEU 41 27.054 -29.380 -9.413 291 HD21 LEU 41 HD21 LEU 41 24.709 -29.518 -12.664 292 HD22 LEU 41 HD22 LEU 41 24.041 -28.568 -11.337 293 HD23 LEU 41 HD23 LEU 41 24.595 -30.218 -11.049 294 H GLY 42 HN GLY 42 25.411 -25.219 -9.236 295 HA2 GLY 42 HA2 GLY 42 22.504 -24.868 -9.273 296 HA3 GLY 42 HA1 GLY 42 23.566 -24.617 -7.891 297 H THR 43 HN THR 43 24.795 -23.232 -10.723 298 HA THR 43 HA THR 43 23.554 -20.617 -10.151 299 HB THR 43 HB THR 43 26.396 -20.489 -10.885 300 HG1 THR 43 HG1 THR 43 25.839 -22.309 -9.200 301 HG21 THR 43 HG21 THR 43 25.004 -18.550 -10.227 302 HG22 THR 43 HG22 THR 43 26.371 -18.770 -9.135 303 HG23 THR 43 HG23 THR 43 24.756 -19.280 -8.641 304 H THR 44 HN THR 44 23.103 -22.581 -12.264 305 HA THR 44 HA THR 44 23.757 -20.859 -14.567 306 HB THR 44 HB THR 44 24.199 -23.822 -14.297 307 HG1 THR 44 HG1 THR 44 26.034 -22.837 -15.701 308 HG21 THR 44 HG21 THR 44 22.925 -23.817 -16.268 309 HG22 THR 44 HG22 THR 44 24.573 -23.630 -16.869 310 HG23 THR 44 HG23 THR 44 23.511 -22.227 -16.753 311 H GLY 45 HN GLY 45 21.834 -23.651 -13.468 312 HA2 GLY 45 HA2 GLY 45 19.658 -22.812 -15.274 313 HA3 GLY 45 HA1 GLY 45 19.830 -24.410 -14.552 314 H ASN 46 HN ASN 46 20.633 -22.698 -12.031 315 HA ASN 46 HA ASN 46 18.002 -22.811 -10.841 316 HB2 ASN 46 HB2 ASN 46 19.244 -23.166 -9.015 317 HB3 ASN 46 HB1 ASN 46 20.712 -22.806 -9.921 318 HD21 ASN 46 HD21 ASN 46 21.476 -20.539 -9.916 319 HD22 ASN 46 HD22 ASN 46 20.956 -19.464 -8.708 320 H GLY 47 HN GLY 47 20.426 -20.231 -11.313 321 HA2 GLY 47 HA2 GLY 47 18.844 -18.094 -10.424 322 HA3 GLY 47 HA1 GLY 47 20.198 -17.954 -11.542 323 H LEU 48 HN LEU 48 19.320 -19.368 -13.720 324 HA LEU 48 HA LEU 48 17.699 -17.517 -15.064 325 HB2 LEU 48 HB2 LEU 48 19.266 -19.155 -16.144 326 HB3 LEU 48 HB1 LEU 48 18.100 -20.427 -15.793 327 HG LEU 48 HG LEU 48 16.378 -19.165 -17.091 328 HD11 LEU 48 HD11 LEU 48 16.924 -16.929 -17.199 329 HD12 LEU 48 HD12 LEU 48 17.635 -17.450 -18.725 330 HD13 LEU 48 HD13 LEU 48 18.656 -17.244 -17.304 331 HD21 LEU 48 HD21 LEU 48 17.860 -19.370 -19.341 332 HD22 LEU 48 HD22 LEU 48 17.232 -20.775 -18.481 333 HD23 LEU 48 HD23 LEU 48 18.899 -20.257 -18.227 334 H VAL 49 HN VAL 49 16.896 -20.673 -13.632 335 HA VAL 49 HA VAL 49 14.180 -20.687 -14.410 336 HB VAL 49 HB VAL 49 15.751 -22.102 -12.275 337 HG11 VAL 49 HG11 VAL 49 13.708 -21.915 -11.134 338 HG12 VAL 49 HG12 VAL 49 13.511 -23.428 -12.020 339 HG13 VAL 49 HG13 VAL 49 12.764 -21.949 -12.624 340 HG21 VAL 49 HG21 VAL 49 14.054 -23.315 -14.443 341 HG22 VAL 49 HG22 VAL 49 15.502 -23.964 -13.674 342 HG23 VAL 49 HG23 VAL 49 15.638 -22.650 -14.843 343 H LEU 50 HN LEU 50 15.410 -20.265 -11.092 344 HA LEU 50 HA LEU 50 13.188 -19.300 -9.857 345 HB2 LEU 50 HB2 LEU 50 16.016 -18.275 -9.517 346 HB3 LEU 50 HB1 LEU 50 14.704 -18.007 -8.371 347 HG LEU 50 HG LEU 50 15.717 -20.736 -9.232 348 HD11 LEU 50 HD11 LEU 50 16.837 -20.861 -7.118 349 HD12 LEU 50 HD12 LEU 50 16.086 -19.367 -6.559 350 HD13 LEU 50 HD13 LEU 50 17.303 -19.319 -7.835 351 HD21 LEU 50 HD21 LEU 50 14.393 -21.202 -6.957 352 HD22 LEU 50 HD22 LEU 50 13.563 -21.181 -8.512 353 HD23 LEU 50 HD23 LEU 50 13.504 -19.767 -7.463 354 H TRP 51 HN TRP 51 15.281 -17.574 -12.082 355 HA TRP 51 HA TRP 51 14.134 -14.996 -11.626 356 HB2 TRP 51 HB2 TRP 51 16.331 -15.142 -12.632 357 HB3 TRP 51 HB1 TRP 51 15.705 -16.117 -13.961 358 HD1 TRP 51 HD1 TRP 51 15.674 -12.557 -12.574 359 HE1 TRP 51 HE1 TRP 51 14.872 -10.951 -14.425 360 HE3 TRP 51 HE3 TRP 51 14.332 -15.938 -16.158 361 HZ2 TRP 51 HZ2 TRP 51 13.805 -11.082 -17.075 362 HZ3 TRP 51 HZ3 TRP 51 13.425 -15.171 -18.333 363 HH2 TRP 51 HH2 TRP 51 13.160 -12.750 -18.794 364 H THR 52 HN THR 52 13.863 -17.226 -14.390 365 HA THR 52 HA THR 52 11.782 -15.956 -15.729 366 HB THR 52 HB THR 52 12.697 -18.796 -15.560 367 HG1 THR 52 HG1 THR 52 13.685 -18.219 -17.314 368 HG21 THR 52 HG21 THR 52 10.413 -19.219 -15.893 369 HG22 THR 52 HG22 THR 52 11.038 -19.119 -17.540 370 HG23 THR 52 HG23 THR 52 10.186 -17.746 -16.836 371 H VAL 53 HN VAL 53 11.589 -18.585 -13.332 372 HA VAL 53 HA VAL 53 8.867 -18.968 -13.219 373 HB VAL 53 HB VAL 53 10.990 -19.074 -11.086 374 HG11 VAL 53 HG11 VAL 53 8.012 -19.352 -10.831 375 HG12 VAL 53 HG12 VAL 53 9.163 -18.628 -9.709 376 HG13 VAL 53 HG13 VAL 53 9.059 -20.382 -9.855 377 HG21 VAL 53 HG21 VAL 53 10.768 -20.769 -13.002 378 HG22 VAL 53 HG22 VAL 53 9.255 -21.266 -12.244 379 HG23 VAL 53 HG23 VAL 53 10.777 -21.434 -11.369 380 H PHE 54 HN PHE 54 10.780 -16.521 -11.494 381 HA PHE 54 HA PHE 54 8.761 -15.366 -9.971 382 HB2 PHE 54 HB2 PHE 54 11.433 -14.683 -10.788 383 HB3 PHE 54 HB1 PHE 54 10.403 -13.252 -10.854 384 HD1 PHE 54 HD2 PHE 54 11.185 -16.180 -8.650 385 HD2 PHE 54 HD1 PHE 54 9.938 -12.076 -8.879 386 HE1 PHE 54 HE2 PHE 54 11.255 -16.021 -6.176 387 HE2 PHE 54 HE1 PHE 54 10.008 -11.917 -6.406 388 HZ PHE 54 HZ PHE 54 10.666 -13.890 -5.054 389 H ARG 55 HN ARG 55 9.472 -15.000 -13.392 390 HA ARG 55 HA ARG 55 7.478 -12.874 -13.663 391 HB2 ARG 55 HB2 ARG 55 8.573 -14.005 -16.137 392 HB3 ARG 55 HB1 ARG 55 8.481 -12.328 -15.617 393 HG2 ARG 55 HG2 ARG 55 10.542 -14.327 -14.651 394 HG3 ARG 55 HG1 ARG 55 10.817 -13.124 -15.898 395 HD2 ARG 55 HD2 ARG 55 10.757 -11.350 -14.399 396 HD3 ARG 55 HD1 ARG 55 9.798 -12.239 -13.216 397 HE ARG 55 HE ARG 55 12.259 -13.552 -13.512 398 HH11 ARG 55 HH21 ARG 55 10.967 -10.547 -12.389 399 HH12 ARG 55 HH22 ARG 55 12.198 -10.307 -11.195 400 HH21 ARG 55 HH11 ARG 55 13.866 -13.255 -11.946 401 HH22 ARG 55 HH12 ARG 55 13.841 -11.841 -10.941 402 H LYS 56 HN LYS 56 7.952 -16.271 -14.252 403 HA LYS 56 HA LYS 56 5.839 -16.784 -16.024 404 HB2 LYS 56 HB2 LYS 56 7.720 -18.350 -15.168 405 HB3 LYS 56 HB1 LYS 56 6.625 -18.683 -13.826 406 HG2 LYS 56 HG2 LYS 56 5.780 -20.279 -15.205 407 HG3 LYS 56 HG1 LYS 56 4.931 -18.929 -15.959 408 HD2 LYS 56 HD2 LYS 56 6.805 -18.650 -17.553 409 HD3 LYS 56 HD1 LYS 56 7.636 -20.017 -16.809 410 HE2 LYS 56 HE2 LYS 56 6.560 -21.087 -18.566 411 HE3 LYS 56 HE1 LYS 56 5.347 -21.257 -17.298 412 HZ1 LYS 56 HZ1 LYS 56 3.977 -20.244 -18.706 413 HZ2 LYS 56 HZ2 LYS 56 5.238 -19.760 -19.736 414 HZ3 LYS 56 HZ3 LYS 56 4.831 -18.815 -18.383 415 H LYS 57 HN LYS 57 5.908 -17.174 -12.478 416 HA LYS 57 HA LYS 57 3.024 -17.393 -12.367 417 HB2 LYS 57 HB2 LYS 57 5.236 -17.454 -10.330 418 HB3 LYS 57 HB1 LYS 57 3.547 -17.339 -9.832 419 HG2 LYS 57 HG2 LYS 57 3.001 -19.433 -10.729 420 HG3 LYS 57 HG1 LYS 57 4.389 -19.436 -11.817 421 HD2 LYS 57 HD2 LYS 57 4.764 -20.995 -9.956 422 HD3 LYS 57 HD1 LYS 57 5.901 -19.650 -9.867 423 HE2 LYS 57 HE2 LYS 57 4.709 -18.611 -8.101 424 HE3 LYS 57 HE1 LYS 57 3.273 -19.596 -8.383 425 HZ1 LYS 57 HZ1 LYS 57 5.799 -20.322 -7.077 426 HZ2 LYS 57 HZ2 LYS 57 4.915 -21.531 -7.879 427 HZ3 LYS 57 HZ3 LYS 57 4.205 -20.661 -6.603 428 H GLY 58 HN GLY 58 5.439 -14.928 -12.020 429 HA2 GLY 58 HA2 GLY 58 3.860 -13.070 -10.517 430 HA3 GLY 58 HA1 GLY 58 5.335 -12.706 -11.409 431 H HIS 59 HN HIS 59 4.144 -13.920 -13.874 432 HA HIS 59 HA HIS 59 3.295 -11.638 -15.179 433 HB2 HIS 59 HB2 HIS 59 3.130 -14.545 -15.707 434 HB3 HIS 59 HB1 HIS 59 1.991 -13.540 -16.603 435 HD2 HIS 59 HD2 HIS 59 3.825 -10.983 -17.370 436 HE1 HIS 59 HE1 HIS 59 6.654 -13.770 -18.803 437 HE2 HIS 59 HE2 HIS 59 5.936 -11.334 -18.865 438 H HIS 60 HN HIS 60 1.495 -13.781 -13.116 439 HA HIS 60 HA HIS 60 -1.128 -13.209 -13.916 440 HB2 HIS 60 HB2 HIS 60 -0.125 -14.851 -12.086 441 HB3 HIS 60 HB1 HIS 60 -0.521 -13.511 -11.010 442 HD2 HIS 60 HD2 HIS 60 -2.287 -16.558 -12.086 443 HE1 HIS 60 HE1 HIS 60 -5.357 -13.663 -11.968 444 HE2 HIS 60 HE2 HIS 60 -4.867 -16.152 -12.079 445 H HIS 61 HN HIS 61 1.212 -11.250 -12.323 446 HA HIS 61 HA HIS 61 -0.791 -9.365 -11.323 447 HB2 HIS 61 HB2 HIS 61 2.163 -9.705 -10.986 448 HB3 HIS 61 HB1 HIS 61 1.444 -8.119 -10.702 449 HD2 HIS 61 HD2 HIS 61 -0.109 -11.621 -9.610 450 HE1 HIS 61 HE1 HIS 61 0.366 -9.187 -6.193 451 HE2 HIS 61 HE2 HIS 61 -0.514 -11.414 -7.039 452 H HIS 62 HN HIS 62 0.002 -9.958 -14.262 453 HA HIS 62 HA HIS 62 0.222 -8.774 -16.219 454 HB2 HIS 62 HB2 HIS 62 -1.100 -6.819 -14.365 455 HB3 HIS 62 HB1 HIS 62 -0.620 -6.310 -15.984 456 HD2 HIS 62 HD2 HIS 62 -3.833 -7.217 -14.752 457 HE1 HIS 62 HE1 HIS 62 -3.548 -9.763 -18.107 458 HE2 HIS 62 HE2 HIS 62 -5.144 -8.743 -16.415 459 H HIS 63 HN HIS 63 0.833 -5.986 -14.141 460 HA HIS 63 HA HIS 63 3.383 -5.558 -15.487 461 HB2 HIS 63 HB2 HIS 63 3.376 -3.392 -14.378 462 HB3 HIS 63 HB1 HIS 63 1.798 -3.675 -15.117 463 HD2 HIS 63 HD2 HIS 63 2.563 -1.989 -12.099 464 HE1 HIS 63 HE1 HIS 63 -0.201 -4.842 -10.671 465 HE2 HIS 63 HE2 HIS 63 0.981 -2.660 -10.135 466 H HIS 64 HN HIS 64 3.354 -7.852 -13.877 467 HA HIS 64 HA HIS 64 4.364 -8.859 -12.053 468 HB2 HIS 64 HB2 HIS 64 6.249 -8.321 -13.581 469 HB3 HIS 64 HB1 HIS 64 6.471 -6.794 -12.727 470 HD2 HIS 64 HD2 HIS 64 6.410 -10.627 -11.594 471 HE1 HIS 64 HE1 HIS 64 9.227 -8.515 -9.264 472 HE2 HIS 64 HE2 HIS 64 8.203 -10.797 -9.703 Start of MODEL 32 1 H1 MET 1 HT1 MET 1 61.968 6.670 10.604 2 H2 MET 1 HT2 MET 1 61.186 5.628 11.694 3 H3 MET 1 HT3 MET 1 60.345 6.939 11.016 4 HA MET 1 HA MET 1 59.559 5.389 9.613 5 HB2 MET 1 HB2 MET 1 62.274 6.210 8.622 6 HB3 MET 1 HB1 MET 1 61.329 5.041 7.698 7 HG2 MET 1 HG2 MET 1 59.550 6.577 7.365 8 HG3 MET 1 HG1 MET 1 60.144 7.661 8.624 9 HE1 MET 1 HE1 MET 1 59.903 6.984 4.962 10 HE2 MET 1 HE2 MET 1 60.470 8.588 4.503 11 HE3 MET 1 HE3 MET 1 59.229 8.421 5.744 12 H GLU 2 HN GLU 2 59.627 3.704 11.355 13 HA GLU 2 HA GLU 2 60.171 1.609 12.153 14 HB2 GLU 2 HB2 GLU 2 60.795 1.114 9.233 15 HB3 GLU 2 HB1 GLU 2 60.338 -0.091 10.438 16 HG2 GLU 2 HG2 GLU 2 58.194 0.260 9.847 17 HG3 GLU 2 HG1 GLU 2 58.329 1.857 10.581 18 H GLU 3 HN GLU 3 62.009 -0.290 11.335 19 HA GLU 3 HA GLU 3 64.346 0.480 12.640 20 HB2 GLU 3 HB2 GLU 3 65.276 -1.578 11.931 21 HB3 GLU 3 HB1 GLU 3 63.542 -1.880 12.048 22 HG2 GLU 3 HG2 GLU 3 63.579 -1.092 9.512 23 HG3 GLU 3 HG1 GLU 3 65.259 -1.618 9.613 24 H GLY 4 HN GLY 4 66.523 0.740 11.776 25 HA2 GLY 4 HA2 GLY 4 66.586 2.679 9.649 26 HA3 GLY 4 HA1 GLY 4 67.968 2.088 10.565 27 H GLY 5 HN GLY 5 65.623 0.176 8.728 28 HA2 GLY 5 HA2 GLY 5 67.460 -0.262 6.530 29 HA3 GLY 5 HA1 GLY 5 67.252 -1.656 7.586 30 H ASP 6 HN ASP 6 66.531 -1.978 5.014 31 HA ASP 6 HA ASP 6 63.607 -2.201 5.209 32 HB2 ASP 6 HB2 ASP 6 64.250 -0.139 3.875 33 HB3 ASP 6 HB1 ASP 6 64.959 -1.234 2.688 34 H PHE 7 HN PHE 7 65.456 -4.227 5.651 35 HA PHE 7 HA PHE 7 66.017 -6.360 5.002 36 HB2 PHE 7 HB2 PHE 7 63.374 -5.792 3.827 37 HB3 PHE 7 HB1 PHE 7 64.252 -7.116 3.063 38 HD1 PHE 7 HD2 PHE 7 65.238 -8.945 4.575 39 HD2 PHE 7 HD1 PHE 7 62.315 -6.097 5.916 40 HE1 PHE 7 HE2 PHE 7 64.671 -10.423 6.483 41 HE2 PHE 7 HE1 PHE 7 61.748 -7.576 7.823 42 HZ PHE 7 HZ PHE 7 62.926 -9.740 8.107 43 H ASP 8 HN ASP 8 66.671 -7.742 3.106 44 HA ASP 8 HA ASP 8 68.371 -6.206 1.376 45 HB2 ASP 8 HB2 ASP 8 67.740 -9.167 1.345 46 HB3 ASP 8 HB1 ASP 8 69.073 -8.383 0.499 47 H ASN 9 HN ASN 9 65.149 -7.291 1.205 48 HA ASN 9 HA ASN 9 63.616 -7.470 -0.511 49 HB2 ASN 9 HB2 ASN 9 63.302 -5.439 -1.460 50 HB3 ASN 9 HB1 ASN 9 64.635 -4.944 -0.420 51 HD21 ASN 9 HD21 ASN 9 66.803 -4.795 -1.413 52 HD22 ASN 9 HD22 ASN 9 66.969 -4.671 -3.098 53 H TYR 10 HN TYR 10 63.610 -7.180 -3.164 54 HA TYR 10 HA TYR 10 63.990 -8.512 -5.020 55 HB2 TYR 10 HB2 TYR 10 65.644 -6.721 -5.287 56 HB3 TYR 10 HB1 TYR 10 66.810 -7.645 -4.338 57 HD1 TYR 10 HD1 TYR 10 64.716 -7.787 -7.429 58 HD2 TYR 10 HD2 TYR 10 68.162 -9.294 -5.353 59 HE1 TYR 10 HE1 TYR 10 65.409 -9.014 -9.470 60 HE2 TYR 10 HE2 TYR 10 68.854 -10.521 -7.395 61 HH TYR 10 HH TYR 10 67.863 -11.401 -9.433 62 H TYR 11 HN TYR 11 63.441 -10.585 -4.393 63 HA TYR 11 HA TYR 11 63.901 -12.850 -4.251 64 HB2 TYR 11 HB2 TYR 11 66.229 -11.969 -5.237 65 HB3 TYR 11 HB1 TYR 11 66.782 -12.438 -3.630 66 HD1 TYR 11 HD1 TYR 11 64.858 -13.687 -6.582 67 HD2 TYR 11 HD2 TYR 11 67.165 -14.704 -3.104 68 HE1 TYR 11 HE1 TYR 11 64.846 -16.070 -7.270 69 HE2 TYR 11 HE2 TYR 11 67.153 -17.085 -3.792 70 HH TYR 11 HH TYR 11 65.266 -18.185 -6.574 71 H GLY 12 HN GLY 12 63.019 -11.319 -2.083 72 HA2 GLY 12 HA2 GLY 12 63.525 -13.061 0.086 73 HA3 GLY 12 HA1 GLY 12 64.457 -11.582 0.301 74 H ALA 13 HN ALA 13 62.401 -9.994 -1.138 75 HA ALA 13 HA ALA 13 60.629 -9.580 1.153 76 HB1 ALA 13 HB1 ALA 13 59.944 -7.560 -0.374 77 HB2 ALA 13 HB2 ALA 13 61.434 -7.951 -1.232 78 HB3 ALA 13 HB3 ALA 13 61.487 -7.528 0.479 79 H ASP 14 HN ASP 14 60.573 -10.723 -2.132 80 HA ASP 14 HA ASP 14 57.623 -10.925 -2.034 81 HB2 ASP 14 HB2 ASP 14 57.643 -11.000 -4.434 82 HB3 ASP 14 HB1 ASP 14 58.646 -9.638 -3.940 83 H ASN 15 HN ASN 15 60.501 -12.683 -1.799 84 HA ASN 15 HA ASN 15 59.897 -15.115 -3.040 85 HB2 ASN 15 HB2 ASN 15 61.758 -14.166 -0.993 86 HB3 ASN 15 HB1 ASN 15 61.273 -15.843 -0.758 87 HD21 ASN 15 HD21 ASN 15 61.077 -16.905 -3.258 88 HD22 ASN 15 HD22 ASN 15 62.528 -16.733 -4.120 89 H GLN 16 HN GLN 16 58.369 -13.598 -0.421 90 HA GLN 16 HA GLN 16 57.362 -16.099 0.726 91 HB2 GLN 16 HB2 GLN 16 56.644 -14.844 2.551 92 HB3 GLN 16 HB1 GLN 16 58.084 -13.959 2.047 93 HG2 GLN 16 HG2 GLN 16 56.436 -12.607 0.545 94 HG3 GLN 16 HG1 GLN 16 55.191 -13.251 1.614 95 HE21 GLN 16 HE21 GLN 16 54.703 -11.331 2.791 96 HE22 GLN 16 HE22 GLN 16 55.844 -10.517 3.749 97 H SER 17 HN SER 17 56.551 -13.917 -1.707 98 HA SER 17 HA SER 17 53.663 -14.397 -1.457 99 HB2 SER 17 HB2 SER 17 55.196 -12.208 -2.363 100 HB3 SER 17 HB1 SER 17 54.399 -12.871 -3.786 101 HG SER 17 HG SER 17 53.280 -11.282 -2.216 102 H GLU 18 HN GLU 18 56.262 -14.676 -3.886 103 HA GLU 18 HA GLU 18 54.890 -15.919 -5.925 104 HB2 GLU 18 HB2 GLU 18 57.679 -16.694 -5.052 105 HB3 GLU 18 HB1 GLU 18 57.000 -16.785 -6.677 106 HG2 GLU 18 HG2 GLU 18 56.682 -14.284 -6.598 107 HG3 GLU 18 HG1 GLU 18 57.580 -14.278 -5.080 108 H CYS 19 HN CYS 19 55.364 -17.078 -2.781 109 HA CYS 19 HA CYS 19 55.217 -19.901 -3.475 110 HB2 CYS 19 HB2 CYS 19 56.270 -18.561 -1.332 111 HB3 CYS 19 HB1 CYS 19 54.732 -19.129 -0.680 112 HG CYS 19 HG CYS 19 57.041 -20.880 -0.902 113 H GLU 20 HN GLU 20 53.122 -17.350 -2.246 114 HA GLU 20 HA GLU 20 50.886 -19.220 -1.964 115 HB2 GLU 20 HB2 GLU 20 50.618 -16.266 -1.566 116 HB3 GLU 20 HB1 GLU 20 49.826 -17.589 -0.709 117 HG2 GLU 20 HG2 GLU 20 52.152 -18.197 0.184 118 HG3 GLU 20 HG1 GLU 20 52.674 -16.624 -0.415 119 H TYR 21 HN TYR 21 51.924 -16.475 -3.929 120 HA TYR 21 HA TYR 21 49.618 -15.921 -5.351 121 HB2 TYR 21 HB2 TYR 21 51.466 -14.516 -5.754 122 HB3 TYR 21 HB1 TYR 21 52.524 -15.874 -6.143 123 HD1 TYR 21 HD2 TYR 21 52.259 -17.102 -8.285 124 HD2 TYR 21 HD1 TYR 21 49.964 -13.583 -7.393 125 HE1 TYR 21 HE2 TYR 21 51.655 -16.888 -10.682 126 HE2 TYR 21 HE1 TYR 21 49.360 -13.369 -9.789 127 HH TYR 21 HH TYR 21 49.226 -15.294 -11.828 128 H THR 22 HN THR 22 51.848 -18.611 -5.707 129 HA THR 22 HA THR 22 50.599 -19.560 -8.147 130 HB THR 22 HB THR 22 52.189 -21.588 -6.949 131 HG1 THR 22 HG1 THR 22 53.015 -19.933 -5.625 132 HG21 THR 22 HG21 THR 22 51.922 -21.072 -9.365 133 HG22 THR 22 HG22 THR 22 53.618 -21.159 -8.887 134 HG23 THR 22 HG23 THR 22 52.850 -19.590 -9.130 135 H ASP 23 HN ASP 23 49.305 -19.359 -5.295 136 HA ASP 23 HA ASP 23 47.946 -21.967 -5.497 137 HB2 ASP 23 HB2 ASP 23 48.886 -20.683 -2.922 138 HB3 ASP 23 HB1 ASP 23 47.918 -22.151 -3.044 139 H TRP 24 HN TRP 24 47.900 -18.587 -4.629 140 HA TRP 24 HA TRP 24 45.208 -18.561 -3.679 141 HB2 TRP 24 HB2 TRP 24 46.211 -16.675 -2.891 142 HB3 TRP 24 HB1 TRP 24 47.308 -16.563 -4.268 143 HD1 TRP 24 HD1 TRP 24 43.745 -15.677 -3.188 144 HE1 TRP 24 HE1 TRP 24 42.817 -13.885 -4.793 145 HE3 TRP 24 HE3 TRP 24 47.511 -15.543 -6.635 146 HZ2 TRP 24 HZ2 TRP 24 43.572 -12.570 -7.217 147 HZ3 TRP 24 HZ3 TRP 24 47.381 -14.014 -8.580 148 HH2 TRP 24 HH2 TRP 24 45.418 -12.528 -8.876 149 H LYS 25 HN LYS 25 46.733 -17.451 -6.710 150 HA LYS 25 HA LYS 25 44.504 -16.633 -8.105 151 HB2 LYS 25 HB2 LYS 25 46.983 -16.670 -8.835 152 HB3 LYS 25 HB1 LYS 25 46.637 -18.294 -9.431 153 HG2 LYS 25 HG2 LYS 25 44.776 -17.388 -10.792 154 HG3 LYS 25 HG1 LYS 25 45.162 -15.764 -10.221 155 HD2 LYS 25 HD2 LYS 25 46.412 -15.729 -12.147 156 HD3 LYS 25 HD1 LYS 25 47.602 -16.495 -11.095 157 HE2 LYS 25 HE2 LYS 25 46.456 -18.723 -11.817 158 HE3 LYS 25 HE1 LYS 25 45.809 -17.769 -13.152 159 HZ1 LYS 25 HZ1 LYS 25 48.193 -17.036 -13.514 160 HZ2 LYS 25 HZ2 LYS 25 47.812 -18.637 -13.938 161 HZ3 LYS 25 HZ3 LYS 25 48.639 -18.311 -12.490 162 H SER 26 HN SER 26 45.660 -19.909 -7.529 163 HA SER 26 HA SER 26 43.351 -21.006 -8.992 164 HB2 SER 26 HB2 SER 26 45.610 -21.907 -9.523 165 HB3 SER 26 HB1 SER 26 45.763 -22.439 -7.850 166 HG SER 26 HG SER 26 44.311 -23.972 -8.193 167 H SER 27 HN SER 27 44.302 -20.144 -5.900 168 HA SER 27 HA SER 27 43.540 -20.627 -3.795 169 HB2 SER 27 HB2 SER 27 41.461 -19.817 -4.905 170 HB3 SER 27 HB1 SER 27 41.063 -21.486 -5.297 171 HG SER 27 HG SER 27 40.706 -20.148 -2.998 172 H GLY 28 HN GLY 28 45.191 -22.525 -4.626 173 HA2 GLY 28 HA2 GLY 28 45.843 -24.635 -3.934 174 HA3 GLY 28 HA1 GLY 28 44.252 -24.841 -3.209 175 H ALA 29 HN ALA 29 43.554 -23.861 -6.217 176 HA ALA 29 HA ALA 29 42.770 -24.943 -8.092 177 HB1 ALA 29 HB1 ALA 29 44.378 -26.107 -9.163 178 HB2 ALA 29 HB2 ALA 29 44.481 -27.303 -7.871 179 HB3 ALA 29 HB3 ALA 29 45.378 -25.789 -7.746 180 H LEU 30 HN LEU 30 42.084 -25.718 -5.178 181 HA LEU 30 HA LEU 30 40.717 -28.263 -5.823 182 HB2 LEU 30 HB2 LEU 30 40.753 -28.725 -3.387 183 HB3 LEU 30 HB1 LEU 30 42.370 -28.592 -4.076 184 HG LEU 30 HG LEU 30 41.761 -25.976 -3.363 185 HD11 LEU 30 HD11 LEU 30 40.871 -27.856 -1.156 186 HD12 LEU 30 HD12 LEU 30 39.782 -26.863 -2.124 187 HD13 LEU 30 HD13 LEU 30 40.962 -26.099 -1.058 188 HD21 LEU 30 HD21 LEU 30 43.921 -27.158 -3.072 189 HD22 LEU 30 HD22 LEU 30 43.229 -28.079 -1.738 190 HD23 LEU 30 HD23 LEU 30 43.434 -26.333 -1.593 191 H ILE 31 HN ILE 31 40.417 -25.110 -4.216 192 HA ILE 31 HA ILE 31 37.667 -25.500 -3.494 193 HB ILE 31 HB ILE 31 39.031 -22.823 -3.799 194 HG12 ILE 31 HG12 ILE 31 39.095 -24.740 -1.448 195 HG13 ILE 31 HG11 ILE 31 40.477 -24.276 -2.440 196 HG21 ILE 31 HG21 ILE 31 36.443 -23.520 -3.156 197 HG22 ILE 31 HG22 ILE 31 37.228 -22.008 -2.702 198 HG23 ILE 31 HG23 ILE 31 37.199 -23.360 -1.570 199 HD11 ILE 31 HD11 ILE 31 39.223 -22.841 -0.228 200 HD12 ILE 31 HD12 ILE 31 39.376 -21.841 -1.673 201 HD13 ILE 31 HD13 ILE 31 40.805 -22.596 -0.968 202 HA PRO 32 HA PRO 32 37.065 -22.760 -7.495 203 HB2 PRO 32 HB2 PRO 32 38.992 -24.038 -9.323 204 HB3 PRO 32 HB1 PRO 32 38.677 -22.316 -9.044 205 HG2 PRO 32 HG2 PRO 32 40.923 -23.553 -8.213 206 HG3 PRO 32 HG1 PRO 32 40.214 -22.172 -7.367 207 HD2 PRO 32 HD2 PRO 32 40.146 -25.065 -6.647 208 HD3 PRO 32 HD1 PRO 32 40.207 -23.638 -5.594 209 H ALA 33 HN ALA 33 38.044 -26.142 -7.538 210 HA ALA 33 HA ALA 33 36.558 -27.083 -9.703 211 HB1 ALA 33 HB1 ALA 33 37.233 -28.428 -7.079 212 HB2 ALA 33 HB2 ALA 33 38.142 -28.521 -8.587 213 HB3 ALA 33 HB3 ALA 33 36.548 -29.267 -8.471 214 H ILE 34 HN ILE 34 35.562 -27.564 -6.315 215 HA ILE 34 HA ILE 34 32.926 -28.216 -6.770 216 HB ILE 34 HB ILE 34 34.343 -26.896 -4.485 217 HG12 ILE 34 HG12 ILE 34 34.201 -29.452 -5.174 218 HG13 ILE 34 HG11 ILE 34 34.121 -28.978 -3.479 219 HG21 ILE 34 HG21 ILE 34 32.280 -25.774 -4.266 220 HG22 ILE 34 HG22 ILE 34 32.086 -27.198 -3.245 221 HG23 ILE 34 HG23 ILE 34 31.360 -27.161 -4.852 222 HD11 ILE 34 HD11 ILE 34 31.781 -29.270 -3.381 223 HD12 ILE 34 HD12 ILE 34 32.331 -30.635 -4.351 224 HD13 ILE 34 HD13 ILE 34 31.611 -29.231 -5.136 225 H TYR 35 HN TYR 35 34.301 -24.970 -6.317 226 HA TYR 35 HA TYR 35 31.970 -23.465 -6.376 227 HB2 TYR 35 HB2 TYR 35 34.805 -22.990 -6.781 228 HB3 TYR 35 HB1 TYR 35 33.824 -21.970 -7.834 229 HD1 TYR 35 HD2 TYR 35 34.404 -22.972 -4.302 230 HD2 TYR 35 HD1 TYR 35 32.489 -20.190 -6.957 231 HE1 TYR 35 HE2 TYR 35 33.840 -21.520 -2.373 232 HE2 TYR 35 HE1 TYR 35 31.925 -18.738 -5.027 233 HH TYR 35 HH TYR 35 33.313 -19.153 -1.949 234 H MET 36 HN MET 36 34.109 -24.008 -9.186 235 HA MET 36 HA MET 36 32.345 -23.042 -11.126 236 HB2 MET 36 HB2 MET 36 34.719 -24.846 -11.142 237 HB3 MET 36 HB1 MET 36 33.707 -24.805 -12.587 238 HG2 MET 36 HG2 MET 36 34.751 -22.301 -11.247 239 HG3 MET 36 HG1 MET 36 35.614 -23.120 -12.549 240 HE1 MET 36 HE1 MET 36 32.701 -19.910 -12.984 241 HE2 MET 36 HE2 MET 36 34.303 -20.082 -12.273 242 HE3 MET 36 HE3 MET 36 32.906 -20.781 -11.458 243 H LEU 37 HN LEU 37 32.968 -26.445 -10.232 244 HA LEU 37 HA LEU 37 31.129 -27.703 -11.844 245 HB2 LEU 37 HB2 LEU 37 32.769 -28.763 -10.211 246 HB3 LEU 37 HB1 LEU 37 31.559 -28.478 -8.958 247 HG LEU 37 HG LEU 37 30.005 -29.627 -10.860 248 HD11 LEU 37 HD11 LEU 37 31.990 -29.977 -12.331 249 HD12 LEU 37 HD12 LEU 37 31.218 -31.492 -11.867 250 HD13 LEU 37 HD13 LEU 37 32.709 -30.983 -11.074 251 HD21 LEU 37 HD21 LEU 37 30.373 -31.767 -9.563 252 HD22 LEU 37 HD22 LEU 37 30.055 -30.355 -8.556 253 HD23 LEU 37 HD23 LEU 37 31.703 -30.960 -8.730 254 H VAL 38 HN VAL 38 30.549 -25.806 -8.962 255 HA VAL 38 HA VAL 38 27.705 -26.539 -8.962 256 HB VAL 38 HB VAL 38 29.444 -24.999 -7.034 257 HG11 VAL 38 HG11 VAL 38 27.416 -23.796 -6.935 258 HG12 VAL 38 HG12 VAL 38 27.242 -25.004 -5.662 259 HG13 VAL 38 HG13 VAL 38 26.442 -25.240 -7.216 260 HG21 VAL 38 HG21 VAL 38 27.681 -27.374 -6.461 261 HG22 VAL 38 HG22 VAL 38 29.128 -26.838 -5.607 262 HG23 VAL 38 HG23 VAL 38 29.273 -27.608 -7.187 263 H PHE 39 HN PHE 39 29.754 -24.225 -10.290 264 HA PHE 39 HA PHE 39 27.816 -22.045 -10.229 265 HB2 PHE 39 HB2 PHE 39 30.401 -21.824 -10.108 266 HB3 PHE 39 HB1 PHE 39 30.344 -22.062 -11.855 267 HD1 PHE 39 HD2 PHE 39 28.822 -20.007 -9.119 268 HD2 PHE 39 HD1 PHE 39 29.883 -20.248 -13.274 269 HE1 PHE 39 HE2 PHE 39 28.177 -17.632 -9.422 270 HE2 PHE 39 HE1 PHE 39 29.239 -17.873 -13.577 271 HZ PHE 39 HZ PHE 39 28.386 -16.565 -11.651 272 H LEU 40 HN LEU 40 29.538 -23.869 -12.777 273 HA LEU 40 HA LEU 40 27.828 -22.950 -14.863 274 HB2 LEU 40 HB2 LEU 40 28.901 -24.829 -16.170 275 HB3 LEU 40 HB1 LEU 40 30.029 -23.676 -15.459 276 HG LEU 40 HG LEU 40 29.472 -25.753 -13.545 277 HD11 LEU 40 HD11 LEU 40 28.925 -27.113 -15.545 278 HD12 LEU 40 HD12 LEU 40 30.408 -27.669 -14.769 279 HD13 LEU 40 HD13 LEU 40 30.493 -26.701 -16.241 280 HD21 LEU 40 HD21 LEU 40 31.895 -25.952 -13.560 281 HD22 LEU 40 HD22 LEU 40 31.477 -24.244 -13.703 282 HD23 LEU 40 HD23 LEU 40 31.989 -25.149 -15.128 283 H LEU 41 HN LEU 41 27.097 -24.881 -12.340 284 HA LEU 41 HA LEU 41 25.071 -26.382 -13.891 285 HB2 LEU 41 HB2 LEU 41 26.530 -27.277 -11.392 286 HB3 LEU 41 HB1 LEU 41 25.218 -28.160 -12.169 287 HG LEU 41 HG LEU 41 27.868 -27.460 -13.475 288 HD11 LEU 41 HD11 LEU 41 28.671 -29.457 -12.781 289 HD12 LEU 41 HD12 LEU 41 27.156 -30.282 -13.147 290 HD13 LEU 41 HD13 LEU 41 27.354 -29.445 -11.608 291 HD21 LEU 41 HD21 LEU 41 25.318 -28.696 -14.437 292 HD22 LEU 41 HD22 LEU 41 26.833 -29.361 -15.046 293 HD23 LEU 41 HD23 LEU 41 26.455 -27.657 -15.296 294 H GLY 42 HN GLY 42 25.864 -24.481 -11.080 295 HA2 GLY 42 HA2 GLY 42 23.105 -24.671 -10.081 296 HA3 GLY 42 HA1 GLY 42 24.472 -23.980 -9.212 297 H THR 43 HN THR 43 24.736 -22.891 -12.298 298 HA THR 43 HA THR 43 22.969 -20.567 -11.884 299 HB THR 43 HB THR 43 25.750 -20.191 -12.949 300 HG1 THR 43 HG1 THR 43 26.557 -20.180 -10.992 301 HG21 THR 43 HG21 THR 43 25.308 -17.958 -12.652 302 HG22 THR 43 HG22 THR 43 24.303 -18.240 -11.231 303 HG23 THR 43 HG23 THR 43 23.647 -18.521 -12.843 304 H THR 44 HN THR 44 23.219 -23.061 -13.684 305 HA THR 44 HA THR 44 22.842 -21.613 -16.236 306 HB THR 44 HB THR 44 24.378 -24.134 -15.672 307 HG1 THR 44 HG1 THR 44 24.757 -21.768 -17.176 308 HG21 THR 44 HG21 THR 44 22.846 -23.391 -18.153 309 HG22 THR 44 HG22 THR 44 22.956 -24.956 -17.349 310 HG23 THR 44 HG23 THR 44 24.329 -24.338 -18.266 311 H GLY 45 HN GLY 45 22.154 -24.583 -14.412 312 HA2 GLY 45 HA2 GLY 45 19.595 -24.827 -15.881 313 HA3 GLY 45 HA1 GLY 45 20.468 -26.181 -15.169 314 H ASN 46 HN ASN 46 20.460 -23.289 -13.339 315 HA ASN 46 HA ASN 46 18.203 -24.224 -11.683 316 HB2 ASN 46 HB2 ASN 46 20.995 -23.530 -10.770 317 HB3 ASN 46 HB1 ASN 46 19.612 -23.553 -9.675 318 HD21 ASN 46 HD21 ASN 46 21.712 -25.585 -11.674 319 HD22 ASN 46 HD22 ASN 46 21.188 -27.065 -11.027 320 H GLY 47 HN GLY 47 20.610 -21.584 -11.770 321 HA2 GLY 47 HA2 GLY 47 19.029 -19.590 -10.656 322 HA3 GLY 47 HA1 GLY 47 20.349 -19.295 -11.784 323 H LEU 48 HN LEU 48 19.317 -20.586 -14.051 324 HA LEU 48 HA LEU 48 17.785 -18.576 -15.231 325 HB2 LEU 48 HB2 LEU 48 19.031 -20.115 -16.606 326 HB3 LEU 48 HB1 LEU 48 18.125 -21.490 -15.978 327 HG LEU 48 HG LEU 48 16.094 -20.730 -17.057 328 HD11 LEU 48 HD11 LEU 48 17.722 -18.243 -17.553 329 HD12 LEU 48 HD12 LEU 48 16.106 -18.383 -16.861 330 HD13 LEU 48 HD13 LEU 48 16.351 -18.639 -18.588 331 HD21 LEU 48 HD21 LEU 48 17.621 -21.982 -18.491 332 HD22 LEU 48 HD22 LEU 48 18.499 -20.506 -18.891 333 HD23 LEU 48 HD23 LEU 48 16.837 -20.721 -19.443 334 H VAL 49 HN VAL 49 16.721 -21.783 -14.077 335 HA VAL 49 HA VAL 49 13.985 -21.444 -14.588 336 HB VAL 49 HB VAL 49 15.512 -23.143 -12.626 337 HG11 VAL 49 HG11 VAL 49 13.198 -24.309 -12.400 338 HG12 VAL 49 HG12 VAL 49 12.537 -22.761 -12.927 339 HG13 VAL 49 HG13 VAL 49 13.492 -22.854 -11.447 340 HG21 VAL 49 HG21 VAL 49 15.211 -24.826 -14.183 341 HG22 VAL 49 HG22 VAL 49 15.224 -23.435 -15.269 342 HG23 VAL 49 HG23 VAL 49 13.691 -24.152 -14.771 343 H LEU 50 HN LEU 50 15.655 -21.162 -11.440 344 HA LEU 50 HA LEU 50 13.513 -20.104 -9.998 345 HB2 LEU 50 HB2 LEU 50 16.445 -19.468 -9.601 346 HB3 LEU 50 HB1 LEU 50 15.170 -19.336 -8.392 347 HG LEU 50 HG LEU 50 16.019 -21.905 -9.765 348 HD11 LEU 50 HD11 LEU 50 17.679 -21.891 -8.234 349 HD12 LEU 50 HD12 LEU 50 16.426 -22.107 -7.011 350 HD13 LEU 50 HD13 LEU 50 16.998 -20.488 -7.411 351 HD21 LEU 50 HD21 LEU 50 13.847 -21.173 -7.825 352 HD22 LEU 50 HD22 LEU 50 14.604 -22.760 -7.696 353 HD23 LEU 50 HD23 LEU 50 13.795 -22.289 -9.189 354 H TRP 51 HN TRP 51 15.577 -18.621 -12.345 355 HA TRP 51 HA TRP 51 14.952 -15.903 -11.550 356 HB2 TRP 51 HB2 TRP 51 17.108 -16.286 -12.552 357 HB3 TRP 51 HB1 TRP 51 16.374 -17.060 -13.957 358 HD1 TRP 51 HD1 TRP 51 16.966 -13.658 -12.361 359 HE1 TRP 51 HE1 TRP 51 16.410 -11.818 -14.079 360 HE3 TRP 51 HE3 TRP 51 14.915 -16.504 -16.073 361 HZ2 TRP 51 HZ2 TRP 51 15.251 -11.583 -16.683 362 HZ3 TRP 51 HZ3 TRP 51 14.094 -15.448 -18.159 363 HH2 TRP 51 HH2 TRP 51 14.259 -12.993 -18.468 364 H THR 52 HN THR 52 14.066 -18.110 -14.191 365 HA THR 52 HA THR 52 12.307 -16.250 -15.468 366 HB THR 52 HB THR 52 12.835 -19.194 -15.718 367 HG1 THR 52 HG1 THR 52 12.981 -18.188 -17.986 368 HG21 THR 52 HG21 THR 52 11.131 -19.013 -17.673 369 HG22 THR 52 HG22 THR 52 10.482 -17.641 -16.775 370 HG23 THR 52 HG23 THR 52 10.507 -19.245 -16.040 371 H VAL 53 HN VAL 53 11.799 -19.056 -13.336 372 HA VAL 53 HA VAL 53 9.011 -19.019 -13.258 373 HB VAL 53 HB VAL 53 11.045 -19.832 -11.178 374 HG11 VAL 53 HG11 VAL 53 9.227 -19.567 -9.784 375 HG12 VAL 53 HG12 VAL 53 8.848 -21.165 -10.425 376 HG13 VAL 53 HG13 VAL 53 8.062 -19.737 -11.097 377 HG21 VAL 53 HG21 VAL 53 9.213 -21.471 -12.956 378 HG22 VAL 53 HG22 VAL 53 10.518 -22.075 -11.934 379 HG23 VAL 53 HG23 VAL 53 10.890 -21.098 -13.354 380 H PHE 54 HN PHE 54 11.371 -17.088 -11.502 381 HA PHE 54 HA PHE 54 9.519 -15.930 -9.664 382 HB2 PHE 54 HB2 PHE 54 12.346 -15.564 -10.404 383 HB3 PHE 54 HB1 PHE 54 11.538 -14.098 -9.846 384 HD1 PHE 54 HD2 PHE 54 11.037 -17.686 -8.898 385 HD2 PHE 54 HD1 PHE 54 12.193 -13.752 -7.619 386 HE1 PHE 54 HE2 PHE 54 11.186 -18.490 -6.557 387 HE2 PHE 54 HE1 PHE 54 12.342 -14.557 -5.278 388 HZ PHE 54 HZ PHE 54 11.839 -16.927 -4.747 389 H ARG 55 HN ARG 55 10.180 -15.424 -12.980 390 HA ARG 55 HA ARG 55 8.876 -12.773 -12.931 391 HB2 ARG 55 HB2 ARG 55 10.865 -14.073 -14.733 392 HB3 ARG 55 HB1 ARG 55 9.733 -12.926 -15.447 393 HG2 ARG 55 HG2 ARG 55 10.583 -11.131 -14.261 394 HG3 ARG 55 HG1 ARG 55 11.104 -12.135 -12.908 395 HD2 ARG 55 HD2 ARG 55 12.427 -12.545 -15.558 396 HD3 ARG 55 HD1 ARG 55 12.867 -11.123 -14.616 397 HE ARG 55 HE ARG 55 13.641 -13.810 -14.057 398 HH11 ARG 55 HH21 ARG 55 12.652 -10.828 -12.606 399 HH12 ARG 55 HH22 ARG 55 13.483 -11.118 -11.114 400 HH21 ARG 55 HH11 ARG 55 14.730 -14.200 -12.102 401 HH22 ARG 55 HH12 ARG 55 14.660 -13.027 -10.828 402 H LYS 56 HN LYS 56 8.172 -15.978 -13.390 403 HA LYS 56 HA LYS 56 6.111 -15.430 -15.428 404 HB2 LYS 56 HB2 LYS 56 6.358 -17.560 -16.173 405 HB3 LYS 56 HB1 LYS 56 7.916 -17.454 -15.358 406 HG2 LYS 56 HG2 LYS 56 6.759 -18.358 -13.271 407 HG3 LYS 56 HG1 LYS 56 5.351 -18.678 -14.284 408 HD2 LYS 56 HD2 LYS 56 7.962 -19.717 -15.283 409 HD3 LYS 56 HD1 LYS 56 7.271 -20.514 -13.872 410 HE2 LYS 56 HE2 LYS 56 6.511 -21.566 -15.984 411 HE3 LYS 56 HE1 LYS 56 5.167 -20.879 -15.074 412 HZ1 LYS 56 HZ1 LYS 56 6.576 -19.445 -17.254 413 HZ2 LYS 56 HZ2 LYS 56 5.136 -18.984 -16.479 414 HZ3 LYS 56 HZ3 LYS 56 5.161 -20.350 -17.489 415 H LYS 57 HN LYS 57 6.640 -16.380 -12.117 416 HA LYS 57 HA LYS 57 3.753 -16.817 -11.729 417 HB2 LYS 57 HB2 LYS 57 5.568 -18.447 -10.870 418 HB3 LYS 57 HB1 LYS 57 5.874 -17.226 -9.634 419 HG2 LYS 57 HG2 LYS 57 3.221 -17.315 -9.398 420 HG3 LYS 57 HG1 LYS 57 3.458 -18.936 -10.053 421 HD2 LYS 57 HD2 LYS 57 5.130 -19.388 -8.270 422 HD3 LYS 57 HD1 LYS 57 4.813 -17.791 -7.593 423 HE2 LYS 57 HE2 LYS 57 2.325 -18.550 -7.553 424 HE3 LYS 57 HE1 LYS 57 2.981 -20.178 -7.718 425 HZ1 LYS 57 HZ1 LYS 57 3.581 -20.182 -5.599 426 HZ2 LYS 57 HZ2 LYS 57 2.733 -18.724 -5.397 427 HZ3 LYS 57 HZ3 LYS 57 4.395 -18.700 -5.749 428 H GLY 58 HN GLY 58 6.360 -14.634 -11.022 429 HA2 GLY 58 HA2 GLY 58 4.930 -13.218 -8.931 430 HA3 GLY 58 HA1 GLY 58 6.486 -12.770 -9.627 431 H HIS 59 HN HIS 59 5.527 -12.894 -12.381 432 HA HIS 59 HA HIS 59 4.712 -10.221 -12.716 433 HB2 HIS 59 HB2 HIS 59 5.148 -12.564 -14.437 434 HB3 HIS 59 HB1 HIS 59 3.947 -11.429 -15.052 435 HD2 HIS 59 HD2 HIS 59 5.257 -8.572 -14.372 436 HE1 HIS 59 HE1 HIS 59 8.817 -10.042 -16.099 437 HE2 HIS 59 HE2 HIS 59 7.583 -7.943 -15.379 438 H HIS 60 HN HIS 60 2.939 -12.935 -11.763 439 HA HIS 60 HA HIS 60 0.430 -11.452 -12.125 440 HB2 HIS 60 HB2 HIS 60 0.731 -14.372 -12.865 441 HB3 HIS 60 HB1 HIS 60 -0.736 -13.401 -12.981 442 HD2 HIS 60 HD2 HIS 60 -0.005 -10.895 -14.706 443 HE1 HIS 60 HE1 HIS 60 2.242 -13.397 -17.258 444 HE2 HIS 60 HE2 HIS 60 1.143 -11.118 -17.040 445 H HIS 61 HN HIS 61 1.020 -11.162 -9.793 446 HA HIS 61 HA HIS 61 0.429 -13.534 -8.152 447 HB2 HIS 61 HB2 HIS 61 1.388 -12.318 -6.303 448 HB3 HIS 61 HB1 HIS 61 2.492 -12.186 -7.672 449 HD2 HIS 61 HD2 HIS 61 0.256 -9.882 -5.463 450 HE1 HIS 61 HE1 HIS 61 2.050 -7.455 -8.414 451 HE2 HIS 61 HE2 HIS 61 0.677 -7.438 -6.278 452 H HIS 62 HN HIS 62 -0.856 -10.498 -9.187 453 HA HIS 62 HA HIS 62 -3.438 -11.051 -8.162 454 HB2 HIS 62 HB2 HIS 62 -2.537 -10.475 -6.000 455 HB3 HIS 62 HB1 HIS 62 -1.798 -9.010 -6.646 456 HD2 HIS 62 HD2 HIS 62 -3.389 -6.857 -6.011 457 HE1 HIS 62 HE1 HIS 62 -7.144 -8.774 -6.226 458 HE2 HIS 62 HE2 HIS 62 -5.974 -6.565 -5.780 459 H HIS 63 HN HIS 63 -2.528 -7.768 -7.834 460 HA HIS 63 HA HIS 63 -3.830 -7.159 -10.403 461 HB2 HIS 63 HB2 HIS 63 -4.758 -6.133 -8.333 462 HB3 HIS 63 HB1 HIS 63 -3.217 -5.313 -8.083 463 HD2 HIS 63 HD2 HIS 63 -5.995 -5.364 -10.945 464 HE1 HIS 63 HE1 HIS 63 -4.027 -1.630 -10.976 465 HE2 HIS 63 HE2 HIS 63 -5.896 -2.990 -12.027 466 H HIS 64 HN HIS 64 -1.225 -8.103 -10.600 467 HA HIS 64 HA HIS 64 0.834 -7.603 -11.491 468 HB2 HIS 64 HB2 HIS 64 -0.856 -5.311 -12.488 469 HB3 HIS 64 HB1 HIS 64 0.839 -5.491 -12.942 470 HD2 HIS 64 HD2 HIS 64 -1.769 -8.483 -12.734 471 HE1 HIS 64 HE1 HIS 64 -0.301 -8.208 -16.684 472 HE2 HIS 64 HE2 HIS 64 -1.770 -9.560 -15.113 Start of MODEL 33 1 H1 MET 1 HT1 MET 1 12.796 -32.485 -18.007 2 H2 MET 1 HT2 MET 1 11.681 -31.234 -18.290 3 H3 MET 1 HT3 MET 1 11.197 -32.637 -17.459 4 HA MET 1 HA MET 1 11.603 -31.542 -15.585 5 HB2 MET 1 HB2 MET 1 14.455 -31.731 -16.605 6 HB3 MET 1 HB1 MET 1 13.992 -31.438 -14.928 7 HG2 MET 1 HG2 MET 1 12.912 -33.595 -14.777 8 HG3 MET 1 HG1 MET 1 13.125 -33.876 -16.505 9 HE1 MET 1 HE1 MET 1 13.922 -36.176 -15.274 10 HE2 MET 1 HE2 MET 1 14.104 -35.500 -13.657 11 HE3 MET 1 HE3 MET 1 15.455 -36.345 -14.408 12 H GLU 2 HN GLU 2 11.413 -29.496 -14.862 13 HA GLU 2 HA GLU 2 11.321 -27.199 -14.904 14 HB2 GLU 2 HB2 GLU 2 14.061 -27.804 -15.979 15 HB3 GLU 2 HB1 GLU 2 13.488 -26.138 -15.888 16 HG2 GLU 2 HG2 GLU 2 14.762 -26.958 -13.847 17 HG3 GLU 2 HG1 GLU 2 13.168 -26.281 -13.520 18 H GLU 3 HN GLU 3 11.953 -25.253 -16.610 19 HA GLU 3 HA GLU 3 11.494 -25.844 -19.358 20 HB2 GLU 3 HB2 GLU 3 9.196 -26.087 -17.976 21 HB3 GLU 3 HB1 GLU 3 9.168 -24.350 -18.279 22 HG2 GLU 3 HG2 GLU 3 9.776 -25.018 -20.730 23 HG3 GLU 3 HG1 GLU 3 9.178 -26.610 -20.265 24 H GLY 4 HN GLY 4 12.283 -24.197 -20.516 25 HA2 GLY 4 HA2 GLY 4 13.064 -21.756 -19.145 26 HA3 GLY 4 HA1 GLY 4 13.483 -22.212 -20.795 27 H GLY 5 HN GLY 5 12.630 -20.915 -22.275 28 HA2 GLY 5 HA2 GLY 5 10.301 -20.362 -23.205 29 HA3 GLY 5 HA1 GLY 5 10.100 -19.516 -21.673 30 H ASP 6 HN ASP 6 12.672 -18.439 -21.396 31 HA ASP 6 HA ASP 6 13.247 -16.890 -23.796 32 HB2 ASP 6 HB2 ASP 6 12.742 -15.284 -21.331 33 HB3 ASP 6 HB1 ASP 6 12.621 -14.811 -23.024 34 H PHE 7 HN PHE 7 14.840 -18.764 -22.570 35 HA PHE 7 HA PHE 7 16.547 -18.156 -20.553 36 HB2 PHE 7 HB2 PHE 7 18.276 -19.033 -22.570 37 HB3 PHE 7 HB1 PHE 7 17.424 -20.039 -21.399 38 HD1 PHE 7 HD1 PHE 7 15.296 -21.131 -21.978 39 HD2 PHE 7 HD2 PHE 7 17.470 -18.793 -24.852 40 HE1 PHE 7 HE1 PHE 7 13.926 -22.102 -23.804 41 HE2 PHE 7 HE2 PHE 7 16.101 -19.764 -26.678 42 HZ PHE 7 HZ PHE 7 14.329 -21.418 -26.153 43 H ASP 8 HN ASP 8 16.975 -16.000 -20.207 44 HA ASP 8 HA ASP 8 17.889 -14.200 -22.209 45 HB2 ASP 8 HB2 ASP 8 18.073 -14.130 -19.191 46 HB3 ASP 8 HB1 ASP 8 18.582 -12.801 -20.231 47 H ASN 9 HN ASN 9 19.628 -15.794 -19.532 48 HA ASN 9 HA ASN 9 21.851 -16.255 -19.218 49 HB2 ASN 9 HB2 ASN 9 22.391 -17.814 -20.716 50 HB3 ASN 9 HB1 ASN 9 21.045 -17.277 -21.718 51 HD21 ASN 9 HD21 ASN 9 21.584 -15.330 -23.200 52 HD22 ASN 9 HD22 ASN 9 23.151 -15.267 -23.851 53 H TYR 10 HN TYR 10 24.116 -15.631 -19.831 54 HA TYR 10 HA TYR 10 25.579 -13.828 -19.749 55 HB2 TYR 10 HB2 TYR 10 25.065 -14.634 -22.282 56 HB3 TYR 10 HB1 TYR 10 24.620 -12.931 -22.400 57 HD1 TYR 10 HD1 TYR 10 27.328 -15.111 -20.988 58 HD2 TYR 10 HD2 TYR 10 26.303 -11.360 -22.813 59 HE1 TYR 10 HE1 TYR 10 29.729 -14.496 -21.070 60 HE2 TYR 10 HE2 TYR 10 28.703 -10.744 -22.894 61 HH TYR 10 HH TYR 10 31.214 -13.037 -22.183 62 H TYR 11 HN TYR 11 22.959 -13.237 -18.651 63 HA TYR 11 HA TYR 11 23.201 -10.432 -18.360 64 HB2 TYR 11 HB2 TYR 11 22.100 -10.801 -20.727 65 HB3 TYR 11 HB1 TYR 11 20.648 -11.103 -19.775 66 HD1 TYR 11 HD1 TYR 11 23.334 -8.621 -20.448 67 HD2 TYR 11 HD2 TYR 11 19.479 -9.327 -18.691 68 HE1 TYR 11 HE1 TYR 11 23.031 -6.179 -20.132 69 HE2 TYR 11 HE2 TYR 11 19.176 -6.886 -18.373 70 HH TYR 11 HH TYR 11 20.432 -4.678 -19.813 71 H GLY 12 HN GLY 12 22.993 -12.681 -16.681 72 HA2 GLY 12 HA2 GLY 12 21.443 -11.899 -14.610 73 HA3 GLY 12 HA1 GLY 12 20.309 -12.810 -15.602 74 H ALA 13 HN ALA 13 23.651 -13.674 -15.629 75 HA ALA 13 HA ALA 13 23.057 -16.065 -13.986 76 HB1 ALA 13 HB1 ALA 13 24.574 -15.723 -16.546 77 HB2 ALA 13 HB2 ALA 13 23.422 -16.977 -16.087 78 HB3 ALA 13 HB3 ALA 13 25.055 -16.997 -15.423 79 H ASP 14 HN ASP 14 25.317 -13.498 -14.745 80 HA ASP 14 HA ASP 14 27.206 -14.465 -12.718 81 HB2 ASP 14 HB2 ASP 14 28.626 -12.576 -13.540 82 HB3 ASP 14 HB1 ASP 14 28.218 -13.752 -14.790 83 H ASN 15 HN ASN 15 24.814 -11.995 -13.279 84 HA ASN 15 HA ASN 15 25.467 -10.003 -11.511 85 HB2 ASN 15 HB2 ASN 15 22.905 -11.178 -12.448 86 HB3 ASN 15 HB1 ASN 15 22.828 -10.144 -11.023 87 HD21 ASN 15 HD21 ASN 15 23.574 -7.880 -11.271 88 HD22 ASN 15 HD22 ASN 15 23.647 -7.171 -12.811 89 H GLN 16 HN GLN 16 24.690 -13.286 -10.796 90 HA GLN 16 HA GLN 16 24.175 -12.743 -7.971 91 HB2 GLN 16 HB2 GLN 16 23.501 -14.982 -7.795 92 HB3 GLN 16 HB1 GLN 16 22.988 -14.537 -9.423 93 HG2 GLN 16 HG2 GLN 16 25.336 -15.397 -10.149 94 HG3 GLN 16 HG1 GLN 16 25.347 -16.209 -8.583 95 HE21 GLN 16 HE21 GLN 16 24.432 -18.264 -8.598 96 HE22 GLN 16 HE22 GLN 16 23.299 -18.816 -9.737 97 H SER 17 HN SER 17 26.736 -13.776 -10.078 98 HA SER 17 HA SER 17 28.384 -14.993 -8.083 99 HB2 SER 17 HB2 SER 17 28.881 -15.615 -10.301 100 HB3 SER 17 HB1 SER 17 28.876 -13.946 -10.864 101 HG SER 17 HG SER 17 30.919 -15.383 -9.977 102 H GLU 18 HN GLU 18 28.227 -11.753 -9.529 103 HA GLU 18 HA GLU 18 30.467 -10.580 -8.420 104 HB2 GLU 18 HB2 GLU 18 29.452 -8.500 -8.828 105 HB3 GLU 18 HB1 GLU 18 28.677 -9.575 -9.993 106 HG2 GLU 18 HG2 GLU 18 26.901 -9.952 -8.138 107 HG3 GLU 18 HG1 GLU 18 27.569 -8.494 -7.408 108 H CYS 19 HN CYS 19 27.764 -11.860 -6.796 109 HA CYS 19 HA CYS 19 27.738 -10.195 -4.487 110 HB2 CYS 19 HB2 CYS 19 26.877 -13.080 -4.798 111 HB3 CYS 19 HB1 CYS 19 26.448 -12.014 -3.459 112 HG CYS 19 HG CYS 19 25.529 -10.526 -5.773 113 H GLU 20 HN GLU 20 29.696 -12.882 -5.508 114 HA GLU 20 HA GLU 20 30.841 -13.255 -2.843 115 HB2 GLU 20 HB2 GLU 20 31.332 -14.634 -5.491 116 HB3 GLU 20 HB1 GLU 20 32.197 -15.023 -4.003 117 HG2 GLU 20 HG2 GLU 20 29.337 -14.932 -3.533 118 HG3 GLU 20 HG1 GLU 20 29.721 -16.064 -4.828 119 H TYR 21 HN TYR 21 31.287 -11.228 -5.441 120 HA TYR 21 HA TYR 21 33.995 -11.050 -5.915 121 HB2 TYR 21 HB2 TYR 21 32.394 -9.662 -7.096 122 HB3 TYR 21 HB1 TYR 21 31.981 -8.816 -5.604 123 HD1 TYR 21 HD1 TYR 21 33.665 -7.359 -4.477 124 HD2 TYR 21 HD2 TYR 21 34.390 -9.124 -8.326 125 HE1 TYR 21 HE1 TYR 21 35.528 -5.767 -4.857 126 HE2 TYR 21 HE2 TYR 21 36.254 -7.532 -8.705 127 HH TYR 21 HH TYR 21 37.872 -6.153 -6.976 128 H THR 22 HN THR 22 32.218 -10.139 -3.052 129 HA THR 22 HA THR 22 34.395 -8.623 -1.896 130 HB THR 22 HB THR 22 32.850 -8.942 0.205 131 HG1 THR 22 HG1 THR 22 31.220 -9.714 -1.981 132 HG21 THR 22 HG21 THR 22 32.045 -7.379 -2.263 133 HG22 THR 22 HG22 THR 22 33.118 -6.827 -0.977 134 HG23 THR 22 HG23 THR 22 31.407 -7.094 -0.644 135 H ASP 23 HN ASP 23 33.438 -11.925 -2.048 136 HA ASP 23 HA ASP 23 35.237 -12.632 0.182 137 HB2 ASP 23 HB2 ASP 23 33.049 -14.185 -1.212 138 HB3 ASP 23 HB1 ASP 23 34.140 -14.889 -0.019 139 H TRP 24 HN TRP 24 34.333 -13.858 -3.047 140 HA TRP 24 HA TRP 24 36.257 -15.660 -3.592 141 HB2 TRP 24 HB2 TRP 24 35.058 -15.429 -5.492 142 HB3 TRP 24 HB1 TRP 24 34.773 -13.710 -5.212 143 HD1 TRP 24 HD1 TRP 24 36.956 -16.094 -7.108 144 HE1 TRP 24 HE1 TRP 24 38.670 -14.777 -8.514 145 HE3 TRP 24 HE3 TRP 24 36.269 -11.414 -5.187 146 HZ2 TRP 24 HZ2 TRP 24 39.624 -12.096 -8.788 147 HZ3 TRP 24 HZ3 TRP 24 37.592 -9.498 -6.036 148 HH2 TRP 24 HH2 TRP 24 39.267 -9.833 -7.835 149 H LYS 25 HN LYS 25 36.736 -12.180 -3.403 150 HA LYS 25 HA LYS 25 39.205 -11.882 -4.596 151 HB2 LYS 25 HB2 LYS 25 37.651 -10.162 -3.359 152 HB3 LYS 25 HB1 LYS 25 38.687 -10.524 -1.978 153 HG2 LYS 25 HG2 LYS 25 40.680 -9.980 -3.341 154 HG3 LYS 25 HG1 LYS 25 39.630 -9.578 -4.700 155 HD2 LYS 25 HD2 LYS 25 38.528 -7.841 -3.295 156 HD3 LYS 25 HD1 LYS 25 39.664 -8.204 -1.996 157 HE2 LYS 25 HE2 LYS 25 40.260 -7.030 -4.716 158 HE3 LYS 25 HE1 LYS 25 40.604 -6.337 -3.132 159 HZ1 LYS 25 HZ1 LYS 25 41.945 -8.585 -4.492 160 HZ2 LYS 25 HZ2 LYS 25 42.028 -8.418 -2.803 161 HZ3 LYS 25 HZ3 LYS 25 42.632 -7.191 -3.812 162 H SER 26 HN SER 26 38.471 -13.025 -1.329 163 HA SER 26 HA SER 26 41.317 -13.776 -1.005 164 HB2 SER 26 HB2 SER 26 39.180 -13.056 0.991 165 HB3 SER 26 HB1 SER 26 40.632 -13.931 1.466 166 HG SER 26 HG SER 26 41.693 -12.114 0.187 167 H SER 27 HN SER 27 37.987 -14.894 -0.774 168 HA SER 27 HA SER 27 38.966 -17.646 -0.312 169 HB2 SER 27 HB2 SER 27 36.169 -16.560 0.067 170 HB3 SER 27 HB1 SER 27 36.748 -18.161 0.515 171 HG SER 27 HG SER 27 37.268 -17.253 2.332 172 H GLY 28 HN GLY 28 39.329 -16.774 -2.847 173 HA2 GLY 28 HA2 GLY 28 37.214 -18.208 -4.336 174 HA3 GLY 28 HA1 GLY 28 37.914 -16.715 -4.952 175 H ALA 29 HN ALA 29 40.422 -18.070 -3.443 176 HA ALA 29 HA ALA 29 41.550 -19.096 -5.916 177 HB1 ALA 29 HB1 ALA 29 43.645 -19.175 -4.692 178 HB2 ALA 29 HB2 ALA 29 42.801 -18.911 -3.166 179 HB3 ALA 29 HB3 ALA 29 42.855 -17.630 -4.377 180 H LEU 30 HN LEU 30 39.375 -20.558 -4.476 181 HA LEU 30 HA LEU 30 40.453 -23.193 -4.771 182 HB2 LEU 30 HB2 LEU 30 40.157 -23.949 -2.456 183 HB3 LEU 30 HB1 LEU 30 41.366 -22.666 -2.546 184 HG LEU 30 HG LEU 30 38.975 -21.284 -2.217 185 HD11 LEU 30 HD11 LEU 30 37.892 -22.349 -0.288 186 HD12 LEU 30 HD12 LEU 30 39.018 -23.702 -0.385 187 HD13 LEU 30 HD13 LEU 30 37.853 -23.431 -1.680 188 HD21 LEU 30 HD21 LEU 30 40.994 -22.193 -0.138 189 HD22 LEU 30 HD22 LEU 30 39.863 -20.855 0.064 190 HD23 LEU 30 HD23 LEU 30 41.131 -20.760 -1.158 191 H ILE 31 HN ILE 31 37.852 -21.061 -3.783 192 HA ILE 31 HA ILE 31 35.838 -23.033 -3.549 193 HB ILE 31 HB ILE 31 35.885 -20.064 -3.791 194 HG12 ILE 31 HG12 ILE 31 34.445 -21.956 -1.914 195 HG13 ILE 31 HG11 ILE 31 36.084 -21.368 -1.641 196 HG21 ILE 31 HG21 ILE 31 33.494 -21.837 -4.336 197 HG22 ILE 31 HG22 ILE 31 34.069 -20.463 -5.284 198 HG23 ILE 31 HG23 ILE 31 33.313 -20.198 -3.716 199 HD11 ILE 31 HD11 ILE 31 34.394 -19.130 -2.258 200 HD12 ILE 31 HD12 ILE 31 35.280 -19.460 -0.769 201 HD13 ILE 31 HD13 ILE 31 33.642 -20.076 -0.976 202 HA PRO 32 HA PRO 32 34.893 -21.552 -8.224 203 HB2 PRO 32 HB2 PRO 32 37.745 -22.038 -9.010 204 HB3 PRO 32 HB1 PRO 32 36.552 -20.933 -9.722 205 HG2 PRO 32 HG2 PRO 32 38.455 -20.024 -8.124 206 HG3 PRO 32 HG1 PRO 32 36.811 -19.364 -8.057 207 HD2 PRO 32 HD2 PRO 32 38.195 -21.170 -6.139 208 HD3 PRO 32 HD1 PRO 32 36.933 -19.961 -5.835 209 H ALA 33 HN ALA 33 37.063 -23.959 -6.906 210 HA ALA 33 HA ALA 33 36.768 -25.952 -8.879 211 HB1 ALA 33 HB1 ALA 33 37.414 -26.066 -5.936 212 HB2 ALA 33 HB2 ALA 33 38.513 -26.258 -7.302 213 HB3 ALA 33 HB3 ALA 33 37.333 -27.517 -6.935 214 H ILE 34 HN ILE 34 35.233 -25.865 -5.656 215 HA ILE 34 HA ILE 34 33.267 -27.807 -6.313 216 HB ILE 34 HB ILE 34 33.608 -25.827 -4.076 217 HG12 ILE 34 HG12 ILE 34 33.883 -27.840 -2.758 218 HG13 ILE 34 HG11 ILE 34 33.358 -28.849 -4.107 219 HG21 ILE 34 HG21 ILE 34 31.259 -25.799 -4.239 220 HG22 ILE 34 HG22 ILE 34 31.564 -27.103 -3.092 221 HG23 ILE 34 HG23 ILE 34 31.185 -27.479 -4.773 222 HD11 ILE 34 HD11 ILE 34 35.326 -28.393 -5.355 223 HD12 ILE 34 HD12 ILE 34 35.894 -28.679 -3.710 224 HD13 ILE 34 HD13 ILE 34 35.760 -27.030 -4.323 225 H TYR 35 HN TYR 35 33.474 -24.364 -6.726 226 HA TYR 35 HA TYR 35 30.690 -23.836 -7.036 227 HB2 TYR 35 HB2 TYR 35 33.054 -22.328 -6.996 228 HB3 TYR 35 HB1 TYR 35 32.371 -22.075 -8.601 229 HD1 TYR 35 HD2 TYR 35 31.126 -22.405 -5.070 230 HD2 TYR 35 HD1 TYR 35 30.882 -20.291 -8.802 231 HE1 TYR 35 HE2 TYR 35 29.425 -20.884 -4.099 232 HE2 TYR 35 HE1 TYR 35 29.183 -18.771 -7.831 233 HH TYR 35 HH TYR 35 28.450 -17.989 -5.650 234 H MET 36 HN MET 36 33.312 -24.124 -9.446 235 HA MET 36 HA MET 36 31.939 -23.931 -11.782 236 HB2 MET 36 HB2 MET 36 34.321 -25.438 -10.915 237 HB3 MET 36 HB1 MET 36 33.552 -26.042 -12.384 238 HG2 MET 36 HG2 MET 36 35.305 -24.265 -12.782 239 HG3 MET 36 HG1 MET 36 33.716 -23.885 -13.447 240 HE1 MET 36 HE1 MET 36 33.937 -21.366 -13.628 241 HE2 MET 36 HE2 MET 36 33.126 -20.529 -12.308 242 HE3 MET 36 HE3 MET 36 32.400 -21.976 -13.001 243 H LEU 37 HN LEU 37 32.485 -27.071 -10.168 244 HA LEU 37 HA LEU 37 30.799 -28.620 -11.721 245 HB2 LEU 37 HB2 LEU 37 32.387 -29.276 -9.759 246 HB3 LEU 37 HB1 LEU 37 30.956 -29.056 -8.753 247 HG LEU 37 HG LEU 37 29.832 -30.542 -10.660 248 HD11 LEU 37 HD11 LEU 37 31.260 -31.976 -11.801 249 HD12 LEU 37 HD12 LEU 37 32.543 -31.821 -10.600 250 HD13 LEU 37 HD13 LEU 37 32.249 -30.516 -11.749 251 HD21 LEU 37 HD21 LEU 37 31.597 -31.608 -8.430 252 HD22 LEU 37 HD22 LEU 37 30.341 -32.535 -9.250 253 HD23 LEU 37 HD23 LEU 37 29.906 -31.127 -8.280 254 H VAL 38 HN VAL 38 30.020 -26.573 -8.947 255 HA VAL 38 HA VAL 38 27.198 -27.311 -9.068 256 HB VAL 38 HB VAL 38 28.681 -25.339 -7.312 257 HG11 VAL 38 HG11 VAL 38 26.522 -24.539 -7.163 258 HG12 VAL 38 HG12 VAL 38 26.419 -25.839 -5.976 259 HG13 VAL 38 HG13 VAL 38 25.806 -26.087 -7.611 260 HG21 VAL 38 HG21 VAL 38 28.998 -27.046 -5.834 261 HG22 VAL 38 HG22 VAL 38 28.811 -28.072 -7.256 262 HG23 VAL 38 HG23 VAL 38 27.433 -27.776 -6.195 263 H PHE 39 HN PHE 39 29.096 -25.399 -10.881 264 HA PHE 39 HA PHE 39 27.221 -23.149 -11.079 265 HB2 PHE 39 HB2 PHE 39 29.752 -22.829 -10.989 266 HB3 PHE 39 HB1 PHE 39 29.792 -23.506 -12.618 267 HD1 PHE 39 HD1 PHE 39 28.570 -20.699 -10.540 268 HD2 PHE 39 HD2 PHE 39 28.942 -22.278 -14.516 269 HE1 PHE 39 HE1 PHE 39 27.925 -18.494 -11.476 270 HE2 PHE 39 HE2 PHE 39 28.297 -20.074 -15.452 271 HZ PHE 39 HZ PHE 39 27.789 -18.183 -13.932 272 H LEU 40 HN LEU 40 28.889 -25.427 -13.275 273 HA LEU 40 HA LEU 40 27.130 -24.836 -15.461 274 HB2 LEU 40 HB2 LEU 40 28.206 -26.968 -16.423 275 HB3 LEU 40 HB1 LEU 40 29.261 -25.592 -16.113 276 HG LEU 40 HG LEU 40 28.981 -27.307 -13.764 277 HD11 LEU 40 HD11 LEU 40 28.726 -29.059 -15.482 278 HD12 LEU 40 HD12 LEU 40 30.288 -29.193 -14.674 279 HD13 LEU 40 HD13 LEU 40 30.186 -28.484 -16.286 280 HD21 LEU 40 HD21 LEU 40 31.362 -27.023 -13.690 281 HD22 LEU 40 HD22 LEU 40 30.706 -25.493 -14.273 282 HD23 LEU 40 HD23 LEU 40 31.432 -26.630 -15.408 283 H LEU 41 HN LEU 41 26.663 -26.539 -12.650 284 HA LEU 41 HA LEU 41 24.533 -28.188 -13.883 285 HB2 LEU 41 HB2 LEU 41 26.152 -28.840 -11.409 286 HB3 LEU 41 HB1 LEU 41 24.872 -29.833 -12.103 287 HG LEU 41 HG LEU 41 27.446 -29.068 -13.515 288 HD11 LEU 41 HD11 LEU 41 27.076 -31.887 -13.116 289 HD12 LEU 41 HD12 LEU 41 26.923 -31.067 -11.562 290 HD13 LEU 41 HD13 LEU 41 28.383 -30.859 -12.530 291 HD21 LEU 41 HD21 LEU 41 25.963 -29.446 -15.263 292 HD22 LEU 41 HD22 LEU 41 24.962 -30.547 -14.316 293 HD23 LEU 41 HD23 LEU 41 26.510 -31.094 -14.960 294 H GLY 42 HN GLY 42 25.334 -25.696 -11.742 295 HA2 GLY 42 HA2 GLY 42 22.654 -25.845 -10.487 296 HA3 GLY 42 HA1 GLY 42 24.078 -25.321 -9.598 297 H THR 43 HN THR 43 24.674 -24.149 -12.541 298 HA THR 43 HA THR 43 23.015 -21.731 -12.249 299 HB THR 43 HB THR 43 25.954 -21.519 -12.859 300 HG1 THR 43 HG1 THR 43 25.298 -22.540 -10.726 301 HG21 THR 43 HG21 THR 43 25.595 -19.272 -12.698 302 HG22 THR 43 HG22 THR 43 24.443 -19.450 -11.375 303 HG23 THR 43 HG23 THR 43 23.924 -19.718 -13.040 304 H THR 44 HN THR 44 22.909 -23.978 -14.097 305 HA THR 44 HA THR 44 23.354 -22.499 -16.618 306 HB THR 44 HB THR 44 24.043 -25.339 -15.927 307 HG1 THR 44 HG1 THR 44 25.510 -23.426 -16.103 308 HG21 THR 44 HG21 THR 44 24.270 -25.577 -18.506 309 HG22 THR 44 HG22 THR 44 23.107 -24.254 -18.575 310 HG23 THR 44 HG23 THR 44 22.671 -25.770 -17.786 311 H GLY 45 HN GLY 45 21.615 -25.157 -15.037 312 HA2 GLY 45 HA2 GLY 45 19.228 -24.464 -16.646 313 HA3 GLY 45 HA1 GLY 45 19.689 -26.140 -16.350 314 H ASN 46 HN ASN 46 20.384 -24.017 -13.789 315 HA ASN 46 HA ASN 46 17.934 -24.834 -12.343 316 HB2 ASN 46 HB2 ASN 46 20.793 -24.720 -11.372 317 HB3 ASN 46 HB1 ASN 46 19.407 -24.853 -10.290 318 HD21 ASN 46 HD21 ASN 46 21.299 -26.574 -12.740 319 HD22 ASN 46 HD22 ASN 46 20.598 -28.095 -12.460 320 H GLY 47 HN GLY 47 20.696 -22.586 -12.051 321 HA2 GLY 47 HA2 GLY 47 19.328 -20.668 -10.495 322 HA3 GLY 47 HA1 GLY 47 20.797 -20.375 -11.420 323 H LEU 48 HN LEU 48 20.038 -20.743 -13.993 324 HA LEU 48 HA LEU 48 18.860 -18.345 -14.727 325 HB2 LEU 48 HB2 LEU 48 20.140 -19.625 -16.325 326 HB3 LEU 48 HB1 LEU 48 19.009 -20.971 -16.225 327 HG LEU 48 HG LEU 48 17.254 -19.658 -17.265 328 HD11 LEU 48 HD11 LEU 48 17.498 -17.473 -16.429 329 HD12 LEU 48 HD12 LEU 48 17.986 -17.303 -18.114 330 HD13 LEU 48 HD13 LEU 48 19.210 -17.403 -16.848 331 HD21 LEU 48 HD21 LEU 48 18.741 -20.693 -18.851 332 HD22 LEU 48 HD22 LEU 48 19.938 -19.413 -18.649 333 HD23 LEU 48 HD23 LEU 48 18.402 -19.068 -19.444 334 H VAL 49 HN VAL 49 17.341 -21.565 -14.550 335 HA VAL 49 HA VAL 49 14.751 -20.758 -15.291 336 HB VAL 49 HB VAL 49 15.833 -23.083 -13.720 337 HG11 VAL 49 HG11 VAL 49 12.972 -22.228 -14.111 338 HG12 VAL 49 HG12 VAL 49 13.746 -22.874 -12.663 339 HG13 VAL 49 HG13 VAL 49 13.381 -23.941 -14.019 340 HG21 VAL 49 HG21 VAL 49 16.089 -22.987 -16.199 341 HG22 VAL 49 HG22 VAL 49 14.338 -22.855 -16.353 342 HG23 VAL 49 HG23 VAL 49 15.055 -24.322 -15.688 343 H LEU 50 HN LEU 50 15.710 -21.737 -11.999 344 HA LEU 50 HA LEU 50 13.591 -20.744 -10.590 345 HB2 LEU 50 HB2 LEU 50 16.506 -20.653 -9.771 346 HB3 LEU 50 HB1 LEU 50 15.141 -20.486 -8.668 347 HG LEU 50 HG LEU 50 15.644 -22.896 -10.443 348 HD11 LEU 50 HD11 LEU 50 17.225 -23.348 -8.875 349 HD12 LEU 50 HD12 LEU 50 15.850 -23.747 -7.845 350 HD13 LEU 50 HD13 LEU 50 16.587 -22.148 -7.751 351 HD21 LEU 50 HD21 LEU 50 13.368 -23.011 -10.035 352 HD22 LEU 50 HD22 LEU 50 13.479 -22.092 -8.535 353 HD23 LEU 50 HD23 LEU 50 13.961 -23.788 -8.569 354 H TRP 51 HN TRP 51 16.146 -18.940 -12.113 355 HA TRP 51 HA TRP 51 15.556 -16.464 -10.736 356 HB2 TRP 51 HB2 TRP 51 17.820 -16.804 -11.487 357 HB3 TRP 51 HB1 TRP 51 17.280 -17.111 -13.137 358 HD1 TRP 51 HD1 TRP 51 17.849 -14.316 -10.629 359 HE1 TRP 51 HE1 TRP 51 17.683 -12.048 -11.844 360 HE3 TRP 51 HE3 TRP 51 16.175 -15.878 -15.194 361 HZ2 TRP 51 HZ2 TRP 51 16.942 -11.030 -14.412 362 HZ3 TRP 51 HZ3 TRP 51 15.748 -14.241 -17.004 363 HH2 TRP 51 HH2 TRP 51 16.129 -11.821 -16.619 364 H THR 52 HN THR 52 15.061 -17.751 -14.020 365 HA THR 52 HA THR 52 13.665 -15.486 -15.004 366 HB THR 52 HB THR 52 13.942 -18.343 -15.881 367 HG1 THR 52 HG1 THR 52 14.453 -16.664 -17.775 368 HG21 THR 52 HG21 THR 52 12.614 -17.502 -17.952 369 HG22 THR 52 HG22 THR 52 11.959 -16.293 -16.847 370 HG23 THR 52 HG23 THR 52 11.707 -18.010 -16.528 371 H VAL 53 HN VAL 53 12.584 -18.547 -13.569 372 HA VAL 53 HA VAL 53 9.824 -18.190 -13.920 373 HB VAL 53 HB VAL 53 11.378 -19.674 -11.795 374 HG11 VAL 53 HG11 VAL 53 8.938 -20.861 -11.850 375 HG12 VAL 53 HG12 VAL 53 8.472 -19.187 -12.152 376 HG13 VAL 53 HG13 VAL 53 9.373 -19.603 -10.693 377 HG21 VAL 53 HG21 VAL 53 9.796 -20.699 -14.168 378 HG22 VAL 53 HG22 VAL 53 10.897 -21.614 -13.138 379 HG23 VAL 53 HG23 VAL 53 11.529 -20.382 -14.231 380 H PHE 54 HN PHE 54 11.935 -17.296 -11.201 381 HA PHE 54 HA PHE 54 9.980 -16.260 -9.493 382 HB2 PHE 54 HB2 PHE 54 12.902 -16.018 -9.794 383 HB3 PHE 54 HB1 PHE 54 12.129 -14.648 -8.995 384 HD1 PHE 54 HD2 PHE 54 11.455 -18.341 -9.021 385 HD2 PHE 54 HD1 PHE 54 12.303 -14.845 -6.673 386 HE1 PHE 54 HE2 PHE 54 11.231 -19.680 -6.946 387 HE2 PHE 54 HE1 PHE 54 12.080 -16.184 -4.598 388 HZ PHE 54 HZ PHE 54 11.544 -18.602 -4.735 389 H ARG 55 HN ARG 55 11.070 -15.109 -12.507 390 HA ARG 55 HA ARG 55 10.005 -12.403 -11.979 391 HB2 ARG 55 HB2 ARG 55 12.079 -13.491 -13.828 392 HB3 ARG 55 HB1 ARG 55 11.151 -12.089 -14.358 393 HG2 ARG 55 HG2 ARG 55 12.027 -10.714 -12.724 394 HG3 ARG 55 HG1 ARG 55 12.252 -12.037 -11.581 395 HD2 ARG 55 HD2 ARG 55 13.886 -12.051 -14.085 396 HD3 ARG 55 HD1 ARG 55 14.325 -10.920 -12.810 397 HE ARG 55 HE ARG 55 14.747 -13.741 -12.767 398 HH11 ARG 55 HH21 ARG 55 13.869 -11.012 -10.828 399 HH12 ARG 55 HH22 ARG 55 14.449 -11.703 -9.348 400 HH21 ARG 55 HH11 ARG 55 15.502 -14.656 -10.829 401 HH22 ARG 55 HH12 ARG 55 15.373 -13.766 -9.349 402 H LYS 56 HN LYS 56 8.899 -15.260 -13.009 403 HA LYS 56 HA LYS 56 7.129 -14.038 -15.042 404 HB2 LYS 56 HB2 LYS 56 7.388 -15.807 -16.436 405 HB3 LYS 56 HB1 LYS 56 8.890 -16.042 -15.547 406 HG2 LYS 56 HG2 LYS 56 7.576 -17.534 -13.946 407 HG3 LYS 56 HG1 LYS 56 6.237 -17.447 -15.091 408 HD2 LYS 56 HD2 LYS 56 8.957 -18.250 -16.091 409 HD3 LYS 56 HD1 LYS 56 7.960 -19.429 -15.244 410 HE2 LYS 56 HE2 LYS 56 6.635 -17.817 -17.371 411 HE3 LYS 56 HE1 LYS 56 7.772 -19.059 -17.891 412 HZ1 LYS 56 HZ1 LYS 56 5.145 -19.361 -16.888 413 HZ2 LYS 56 HZ2 LYS 56 6.240 -20.195 -15.892 414 HZ3 LYS 56 HZ3 LYS 56 6.172 -20.532 -17.557 415 H LYS 57 HN LYS 57 7.434 -15.930 -12.154 416 HA LYS 57 HA LYS 57 4.529 -16.431 -12.107 417 HB2 LYS 57 HB2 LYS 57 6.182 -18.321 -11.702 418 HB3 LYS 57 HB1 LYS 57 6.597 -17.515 -10.189 419 HG2 LYS 57 HG2 LYS 57 3.811 -17.546 -10.177 420 HG3 LYS 57 HG1 LYS 57 4.246 -19.118 -10.846 421 HD2 LYS 57 HD2 LYS 57 5.285 -17.939 -8.252 422 HD3 LYS 57 HD1 LYS 57 4.120 -19.255 -8.400 423 HE2 LYS 57 HE2 LYS 57 6.201 -20.132 -9.983 424 HE3 LYS 57 HE1 LYS 57 7.046 -19.309 -8.672 425 HZ1 LYS 57 HZ1 LYS 57 5.014 -21.457 -8.402 426 HZ2 LYS 57 HZ2 LYS 57 5.680 -20.596 -7.098 427 HZ3 LYS 57 HZ3 LYS 57 6.672 -21.580 -8.065 428 H GLY 58 HN GLY 58 7.065 -14.579 -10.646 429 HA2 GLY 58 HA2 GLY 58 5.590 -13.890 -8.259 430 HA3 GLY 58 HA1 GLY 58 7.109 -13.177 -8.795 431 H HIS 59 HN HIS 59 6.024 -12.589 -11.477 432 HA HIS 59 HA HIS 59 5.121 -9.958 -11.014 433 HB2 HIS 59 HB2 HIS 59 5.348 -11.736 -13.405 434 HB3 HIS 59 HB1 HIS 59 4.402 -10.253 -13.542 435 HD2 HIS 59 HD2 HIS 59 7.855 -10.636 -11.596 436 HE1 HIS 59 HE1 HIS 59 8.257 -7.655 -14.560 437 HE2 HIS 59 HE2 HIS 59 9.427 -8.828 -12.635 438 H HIS 60 HN HIS 60 3.486 -12.898 -10.804 439 HA HIS 60 HA HIS 60 0.922 -11.507 -10.602 440 HB2 HIS 60 HB2 HIS 60 1.134 -12.330 -12.970 441 HB3 HIS 60 HB1 HIS 60 1.219 -13.971 -12.331 442 HD2 HIS 60 HD2 HIS 60 -1.236 -12.342 -10.070 443 HE1 HIS 60 HE1 HIS 60 -3.580 -13.612 -13.344 444 HE2 HIS 60 HE2 HIS 60 -3.657 -12.771 -10.948 445 H HIS 61 HN HIS 61 1.833 -12.135 -8.359 446 HA HIS 61 HA HIS 61 0.350 -14.453 -7.470 447 HB2 HIS 61 HB2 HIS 61 2.149 -15.827 -7.763 448 HB3 HIS 61 HB1 HIS 61 3.307 -14.498 -7.715 449 HD2 HIS 61 HD2 HIS 61 4.693 -14.432 -5.334 450 HE1 HIS 61 HE1 HIS 61 1.889 -16.485 -2.937 451 HE2 HIS 61 HE2 HIS 61 4.183 -15.397 -2.962 452 H HIS 62 HN HIS 62 -0.388 -14.148 -5.452 453 HA HIS 62 HA HIS 62 -0.831 -13.122 -3.451 454 HB2 HIS 62 HB2 HIS 62 1.142 -13.849 -2.487 455 HB3 HIS 62 HB1 HIS 62 2.154 -12.977 -3.636 456 HD2 HIS 62 HD2 HIS 62 2.771 -10.329 -2.897 457 HE1 HIS 62 HE1 HIS 62 0.547 -10.290 0.691 458 HE2 HIS 62 HE2 HIS 62 2.222 -9.002 -0.717 459 H HIS 63 HN HIS 63 -1.844 -11.258 -3.082 460 HA HIS 63 HA HIS 63 -2.559 -9.096 -3.412 461 HB2 HIS 63 HB2 HIS 63 -0.555 -8.784 -1.955 462 HB3 HIS 63 HB1 HIS 63 0.414 -8.538 -3.408 463 HD2 HIS 63 HD2 HIS 63 -2.850 -6.803 -1.888 464 HE1 HIS 63 HE1 HIS 63 -0.558 -3.921 -3.951 465 HE2 HIS 63 HE2 HIS 63 -2.646 -4.287 -2.553 466 H HIS 64 HN HIS 64 -2.672 -10.455 -5.715 467 HA HIS 64 HA HIS 64 -1.280 -9.859 -7.940 468 HB2 HIS 64 HB2 HIS 64 -3.868 -9.494 -8.849 469 HB3 HIS 64 HB1 HIS 64 -3.046 -11.045 -8.675 470 HD2 HIS 64 HD2 HIS 64 -5.114 -8.739 -6.143 471 HE1 HIS 64 HE1 HIS 64 -5.979 -12.800 -5.381 472 HE2 HIS 64 HE2 HIS 64 -6.492 -10.412 -4.687 Start of MODEL 34 1 H1 MET 1 HT1 MET 1 23.388 -3.850 -19.596 2 H2 MET 1 HT2 MET 1 23.326 -2.153 -19.511 3 H3 MET 1 HT3 MET 1 24.589 -3.000 -18.752 4 HA MET 1 HA MET 1 25.068 -3.878 -21.129 5 HB2 MET 1 HB2 MET 1 23.467 -1.343 -21.555 6 HB3 MET 1 HB1 MET 1 24.558 -2.008 -22.771 7 HG2 MET 1 HG2 MET 1 22.732 -4.007 -21.635 8 HG3 MET 1 HG1 MET 1 21.900 -2.700 -22.478 9 HE1 MET 1 HE1 MET 1 21.638 -2.446 -24.800 10 HE2 MET 1 HE2 MET 1 22.792 -2.897 -26.053 11 HE3 MET 1 HE3 MET 1 23.252 -1.722 -24.824 12 H GLU 2 HN GLU 2 24.989 -0.363 -20.953 13 HA GLU 2 HA GLU 2 26.760 1.131 -20.933 14 HB2 GLU 2 HB2 GLU 2 27.590 -0.489 -18.522 15 HB3 GLU 2 HB1 GLU 2 27.852 1.231 -18.810 16 HG2 GLU 2 HG2 GLU 2 25.096 0.917 -19.086 17 HG3 GLU 2 HG1 GLU 2 25.508 -0.123 -17.723 18 H GLU 3 HN GLU 3 29.371 0.866 -19.967 19 HA GLU 3 HA GLU 3 30.794 -1.357 -20.929 20 HB2 GLU 3 HB2 GLU 3 31.787 -0.151 -22.981 21 HB3 GLU 3 HB1 GLU 3 30.186 -0.870 -23.153 22 HG2 GLU 3 HG2 GLU 3 29.100 1.230 -22.954 23 HG3 GLU 3 HG1 GLU 3 30.549 2.009 -22.323 24 H GLY 4 HN GLY 4 33.182 -0.626 -21.473 25 HA2 GLY 4 HA2 GLY 4 34.548 1.544 -20.902 26 HA3 GLY 4 HA1 GLY 4 33.963 1.167 -19.284 27 H GLY 5 HN GLY 5 36.681 1.082 -20.790 28 HA2 GLY 5 HA2 GLY 5 37.615 -1.557 -20.913 29 HA3 GLY 5 HA1 GLY 5 38.622 -0.143 -20.622 30 H ASP 6 HN ASP 6 39.711 -0.177 -18.769 31 HA ASP 6 HA ASP 6 38.464 -0.994 -16.294 32 HB2 ASP 6 HB2 ASP 6 40.277 -2.702 -15.821 33 HB3 ASP 6 HB1 ASP 6 39.063 -3.192 -17.000 34 H PHE 7 HN PHE 7 39.218 1.445 -16.603 35 HA PHE 7 HA PHE 7 40.660 3.140 -16.000 36 HB2 PHE 7 HB2 PHE 7 40.241 1.452 -13.855 37 HB3 PHE 7 HB1 PHE 7 41.999 1.592 -13.908 38 HD1 PHE 7 HD2 PHE 7 38.878 3.657 -14.028 39 HD2 PHE 7 HD1 PHE 7 43.058 3.504 -13.048 40 HE1 PHE 7 HE2 PHE 7 38.729 5.926 -13.039 41 HE2 PHE 7 HE1 PHE 7 42.909 5.773 -12.059 42 HZ PHE 7 HZ PHE 7 40.744 6.984 -12.054 43 H ASP 8 HN ASP 8 43.186 3.200 -14.942 44 HA ASP 8 HA ASP 8 44.838 2.906 -17.173 45 HB2 ASP 8 HB2 ASP 8 45.110 4.056 -14.717 46 HB3 ASP 8 HB1 ASP 8 46.179 2.663 -14.557 47 H ASN 9 HN ASN 9 43.565 0.507 -15.190 48 HA ASN 9 HA ASN 9 44.130 -1.697 -14.760 49 HB2 ASN 9 HB2 ASN 9 43.309 -1.831 -17.043 50 HB3 ASN 9 HB1 ASN 9 44.895 -1.388 -17.671 51 HD21 ASN 9 HD21 ASN 9 42.945 -4.039 -16.586 52 HD22 ASN 9 HD22 ASN 9 44.148 -5.233 -16.681 53 H TYR 10 HN TYR 10 46.626 -1.584 -17.179 54 HA TYR 10 HA TYR 10 48.606 -2.819 -15.766 55 HB2 TYR 10 HB2 TYR 10 48.545 -0.990 -18.080 56 HB3 TYR 10 HB1 TYR 10 50.097 -1.081 -17.245 57 HD1 TYR 10 HD2 TYR 10 51.033 -3.436 -16.724 58 HD2 TYR 10 HD1 TYR 10 47.892 -2.699 -19.561 59 HE1 TYR 10 HE2 TYR 10 51.480 -5.630 -17.790 60 HE2 TYR 10 HE1 TYR 10 48.339 -4.893 -20.626 61 HH TYR 10 HH TYR 10 49.342 -7.044 -20.049 62 H TYR 11 HN TYR 11 50.179 -2.269 -14.316 63 HA TYR 11 HA TYR 11 51.220 -1.094 -12.640 64 HB2 TYR 11 HB2 TYR 11 51.533 0.445 -14.800 65 HB3 TYR 11 HB1 TYR 11 50.505 1.528 -13.862 66 HD1 TYR 11 HD2 TYR 11 53.594 -0.567 -13.601 67 HD2 TYR 11 HD1 TYR 11 51.418 2.833 -12.131 68 HE1 TYR 11 HE2 TYR 11 55.541 0.076 -12.206 69 HE2 TYR 11 HE1 TYR 11 53.365 3.476 -10.737 70 HH TYR 11 HH TYR 11 56.434 2.216 -11.175 71 H GLY 12 HN GLY 12 48.505 -1.803 -12.311 72 HA2 GLY 12 HA2 GLY 12 47.766 -0.617 -9.974 73 HA3 GLY 12 HA1 GLY 12 47.045 0.423 -11.198 74 H ALA 13 HN ALA 13 47.483 -2.972 -11.783 75 HA ALA 13 HA ALA 13 44.580 -3.422 -11.421 76 HB1 ALA 13 HB1 ALA 13 46.273 -3.770 -13.778 77 HB2 ALA 13 HB2 ALA 13 44.514 -3.730 -13.651 78 HB3 ALA 13 HB3 ALA 13 45.387 -5.234 -13.351 79 H ASP 14 HN ASP 14 47.842 -4.643 -11.156 80 HA ASP 14 HA ASP 14 46.852 -7.147 -9.957 81 HB2 ASP 14 HB2 ASP 14 49.479 -6.298 -11.141 82 HB3 ASP 14 HB1 ASP 14 49.401 -7.670 -10.035 83 H ASN 15 HN ASN 15 48.405 -4.139 -9.231 84 HA ASN 15 HA ASN 15 49.807 -4.634 -6.914 85 HB2 ASN 15 HB2 ASN 15 49.858 -2.422 -7.704 86 HB3 ASN 15 HB1 ASN 15 48.100 -2.307 -7.763 87 HD21 ASN 15 HD21 ASN 15 46.947 -2.108 -5.663 88 HD22 ASN 15 HD22 ASN 15 47.773 -1.538 -4.295 89 H GLN 16 HN GLN 16 46.424 -4.948 -7.457 90 HA GLN 16 HA GLN 16 45.799 -4.949 -4.594 91 HB2 GLN 16 HB2 GLN 16 43.498 -5.014 -5.247 92 HB3 GLN 16 HB1 GLN 16 44.292 -3.844 -6.302 93 HG2 GLN 16 HG2 GLN 16 44.650 -5.896 -7.883 94 HG3 GLN 16 HG1 GLN 16 43.352 -6.628 -6.941 95 HE21 GLN 16 HE21 GLN 16 43.944 -4.687 -9.646 96 HE22 GLN 16 HE22 GLN 16 42.404 -3.985 -9.789 97 H SER 17 HN SER 17 46.336 -7.118 -7.254 98 HA SER 17 HA SER 17 45.071 -9.415 -6.123 99 HB2 SER 17 HB2 SER 17 45.990 -10.610 -7.923 100 HB3 SER 17 HB1 SER 17 45.778 -8.988 -8.576 101 HG SER 17 HG SER 17 47.839 -9.511 -9.059 102 H GLU 18 HN GLU 18 48.371 -8.134 -6.083 103 HA GLU 18 HA GLU 18 49.841 -10.162 -5.024 104 HB2 GLU 18 HB2 GLU 18 49.907 -7.309 -4.012 105 HB3 GLU 18 HB1 GLU 18 51.216 -8.487 -3.913 106 HG2 GLU 18 HG2 GLU 18 51.268 -8.617 -6.388 107 HG3 GLU 18 HG1 GLU 18 49.997 -7.398 -6.467 108 H CYS 19 HN CYS 19 47.207 -8.505 -3.506 109 HA CYS 19 HA CYS 19 47.846 -9.421 -0.830 110 HB2 CYS 19 HB2 CYS 19 46.412 -7.319 -1.714 111 HB3 CYS 19 HB1 CYS 19 45.108 -8.481 -1.475 112 HG CYS 19 HG CYS 19 46.747 -7.169 0.748 113 H GLU 20 HN GLU 20 45.692 -10.334 -3.469 114 HA GLU 20 HA GLU 20 44.645 -12.570 -1.871 115 HB2 GLU 20 HB2 GLU 20 43.799 -11.567 -4.601 116 HB3 GLU 20 HB1 GLU 20 42.991 -12.819 -3.657 117 HG2 GLU 20 HG2 GLU 20 43.371 -10.461 -2.035 118 HG3 GLU 20 HG1 GLU 20 42.546 -10.032 -3.533 119 H TYR 21 HN TYR 21 47.257 -12.012 -3.724 120 HA TYR 21 HA TYR 21 47.214 -14.297 -5.469 121 HB2 TYR 21 HB2 TYR 21 48.582 -12.190 -5.819 122 HB3 TYR 21 HB1 TYR 21 49.646 -12.768 -4.535 123 HD1 TYR 21 HD2 TYR 21 50.862 -14.939 -4.798 124 HD2 TYR 21 HD1 TYR 21 48.618 -13.172 -8.007 125 HE1 TYR 21 HE2 TYR 21 52.028 -16.406 -6.422 126 HE2 TYR 21 HE1 TYR 21 49.783 -14.640 -9.631 127 HH TYR 21 HH TYR 21 51.710 -15.957 -9.863 128 H THR 22 HN THR 22 49.373 -13.546 -2.725 129 HA THR 22 HA THR 22 50.441 -16.059 -2.346 130 HB THR 22 HB THR 22 50.602 -15.342 0.119 131 HG1 THR 22 HG1 THR 22 49.105 -13.879 0.466 132 HG21 THR 22 HG21 THR 22 51.606 -13.528 -2.092 133 HG22 THR 22 HG22 THR 22 52.409 -14.978 -1.487 134 HG23 THR 22 HG23 THR 22 52.244 -13.562 -0.448 135 H ASP 23 HN ASP 23 47.225 -14.994 -1.731 136 HA ASP 23 HA ASP 23 46.623 -17.257 0.025 137 HB2 ASP 23 HB2 ASP 23 45.433 -14.667 -0.536 138 HB3 ASP 23 HB1 ASP 23 44.236 -15.959 -0.614 139 H TRP 24 HN TRP 24 45.612 -15.966 -3.137 140 HA TRP 24 HA TRP 24 43.769 -17.828 -3.931 141 HB2 TRP 24 HB2 TRP 24 44.010 -16.324 -5.615 142 HB3 TRP 24 HB1 TRP 24 45.738 -16.127 -5.325 143 HD1 TRP 24 HD1 TRP 24 43.241 -18.433 -7.094 144 HE1 TRP 24 HE1 TRP 24 44.501 -19.788 -8.889 145 HE3 TRP 24 HE3 TRP 24 48.037 -17.016 -6.062 146 HZ2 TRP 24 HZ2 TRP 24 47.189 -20.213 -9.771 147 HZ3 TRP 24 HZ3 TRP 24 49.926 -17.908 -7.394 148 HH2 TRP 24 HH2 TRP 24 49.509 -19.504 -9.246 149 H LYS 25 HN LYS 25 47.304 -18.112 -4.298 150 HA LYS 25 HA LYS 25 47.495 -20.552 -5.546 151 HB2 LYS 25 HB2 LYS 25 49.412 -19.079 -4.893 152 HB3 LYS 25 HB1 LYS 25 49.245 -19.673 -3.240 153 HG2 LYS 25 HG2 LYS 25 49.623 -21.976 -4.010 154 HG3 LYS 25 HG1 LYS 25 49.753 -21.409 -5.676 155 HD2 LYS 25 HD2 LYS 25 51.640 -19.878 -4.828 156 HD3 LYS 25 HD1 LYS 25 51.630 -20.871 -3.371 157 HE2 LYS 25 HE2 LYS 25 52.536 -21.549 -6.115 158 HE3 LYS 25 HE1 LYS 25 53.132 -22.124 -4.557 159 HZ1 LYS 25 HZ1 LYS 25 50.744 -23.033 -6.050 160 HZ2 LYS 25 HZ2 LYS 25 50.959 -23.372 -4.400 161 HZ3 LYS 25 HZ3 LYS 25 52.077 -23.950 -5.541 162 H SER 26 HN SER 26 46.426 -19.880 -2.315 163 HA SER 26 HA SER 26 46.486 -22.743 -1.625 164 HB2 SER 26 HB2 SER 26 47.439 -21.292 0.068 165 HB3 SER 26 HB1 SER 26 45.997 -20.280 0.066 166 HG SER 26 HG SER 26 46.374 -22.891 1.039 167 H SER 27 HN SER 27 44.289 -19.950 -1.756 168 HA SER 27 HA SER 27 41.974 -21.662 -1.306 169 HB2 SER 27 HB2 SER 27 42.393 -18.702 -1.603 170 HB3 SER 27 HB1 SER 27 40.778 -19.393 -1.723 171 HG SER 27 HG SER 27 42.491 -19.174 0.453 172 H GLY 28 HN GLY 28 43.738 -21.813 -3.761 173 HA2 GLY 28 HA2 GLY 28 41.563 -21.567 -5.753 174 HA3 GLY 28 HA1 GLY 28 43.208 -21.068 -6.132 175 H ALA 29 HN ALA 29 42.384 -23.866 -4.170 176 HA ALA 29 HA ALA 29 43.062 -25.668 -6.392 177 HB1 ALA 29 HB1 ALA 29 45.029 -26.282 -5.516 178 HB2 ALA 29 HB2 ALA 29 44.257 -26.657 -3.976 179 HB3 ALA 29 HB3 ALA 29 44.847 -25.025 -4.292 180 H LEU 30 HN LEU 30 40.898 -24.826 -4.135 181 HA LEU 30 HA LEU 30 39.783 -27.533 -4.032 182 HB2 LEU 30 HB2 LEU 30 39.176 -27.083 -1.582 183 HB3 LEU 30 HB1 LEU 30 40.853 -27.509 -1.925 184 HG LEU 30 HG LEU 30 40.351 -24.630 -2.131 185 HD11 LEU 30 HD11 LEU 30 39.992 -26.011 0.547 186 HD12 LEU 30 HD12 LEU 30 38.741 -25.137 -0.335 187 HD13 LEU 30 HD13 LEU 30 40.136 -24.270 0.306 188 HD21 LEU 30 HD21 LEU 30 42.252 -26.310 -0.463 189 HD22 LEU 30 HD22 LEU 30 42.387 -24.574 -0.742 190 HD23 LEU 30 HD23 LEU 30 42.586 -25.701 -2.084 191 H ILE 31 HN ILE 31 39.379 -24.066 -3.546 192 HA ILE 31 HA ILE 31 36.528 -24.174 -3.300 193 HB ILE 31 HB ILE 31 37.957 -21.708 -4.196 194 HG12 ILE 31 HG12 ILE 31 38.345 -23.200 -1.613 195 HG13 ILE 31 HG11 ILE 31 39.542 -22.358 -2.597 196 HG21 ILE 31 HG21 ILE 31 36.295 -20.625 -2.934 197 HG22 ILE 31 HG22 ILE 31 35.991 -22.050 -1.941 198 HG23 ILE 31 HG23 ILE 31 35.435 -22.006 -3.613 199 HD11 ILE 31 HD11 ILE 31 39.234 -20.891 -0.787 200 HD12 ILE 31 HD12 ILE 31 37.498 -21.195 -0.716 201 HD13 ILE 31 HD13 ILE 31 38.169 -20.219 -2.023 202 HA PRO 32 HA PRO 32 36.929 -22.757 -7.983 203 HB2 PRO 32 HB2 PRO 32 39.041 -24.651 -8.834 204 HB3 PRO 32 HB1 PRO 32 38.816 -22.946 -9.263 205 HG2 PRO 32 HG2 PRO 32 40.762 -23.757 -7.614 206 HG3 PRO 32 HG1 PRO 32 39.950 -22.194 -7.426 207 HD2 PRO 32 HD2 PRO 32 39.597 -24.706 -5.842 208 HD3 PRO 32 HD1 PRO 32 39.528 -23.014 -5.303 209 H ALA 33 HN ALA 33 37.634 -26.046 -6.887 210 HA ALA 33 HA ALA 33 36.403 -27.519 -8.904 211 HB1 ALA 33 HB1 ALA 33 36.895 -27.992 -5.989 212 HB2 ALA 33 HB2 ALA 33 37.558 -28.838 -7.387 213 HB3 ALA 33 HB3 ALA 33 35.891 -29.130 -6.888 214 H ILE 34 HN ILE 34 34.903 -26.927 -5.723 215 HA ILE 34 HA ILE 34 32.311 -27.615 -6.399 216 HB ILE 34 HB ILE 34 33.472 -25.742 -4.363 217 HG12 ILE 34 HG12 ILE 34 32.571 -27.412 -2.828 218 HG13 ILE 34 HG11 ILE 34 31.749 -28.233 -4.156 219 HG21 ILE 34 HG21 ILE 34 30.572 -26.053 -5.134 220 HG22 ILE 34 HG22 ILE 34 31.467 -24.572 -4.785 221 HG23 ILE 34 HG23 ILE 34 31.030 -25.669 -3.475 222 HD11 ILE 34 HD11 ILE 34 34.747 -27.831 -4.091 223 HD12 ILE 34 HD12 ILE 34 33.824 -28.895 -5.152 224 HD13 ILE 34 HD13 ILE 34 33.962 -29.267 -3.434 225 H TYR 35 HN TYR 35 33.747 -24.349 -6.460 226 HA TYR 35 HA TYR 35 31.668 -22.819 -7.303 227 HB2 TYR 35 HB2 TYR 35 34.558 -22.714 -7.594 228 HB3 TYR 35 HB1 TYR 35 33.738 -21.977 -8.971 229 HD1 TYR 35 HD1 TYR 35 33.735 -22.036 -5.229 230 HD2 TYR 35 HD2 TYR 35 32.832 -19.815 -8.792 231 HE1 TYR 35 HE1 TYR 35 33.215 -20.040 -3.852 232 HE2 TYR 35 HE2 TYR 35 32.311 -17.819 -7.416 233 HH TYR 35 HH TYR 35 32.433 -16.924 -5.358 234 H MET 36 HN MET 36 33.853 -24.535 -9.550 235 HA MET 36 HA MET 36 32.517 -24.011 -11.916 236 HB2 MET 36 HB2 MET 36 34.183 -26.333 -10.990 237 HB3 MET 36 HB1 MET 36 33.434 -26.353 -12.587 238 HG2 MET 36 HG2 MET 36 35.113 -24.036 -11.607 239 HG3 MET 36 HG1 MET 36 35.798 -25.400 -12.491 240 HE1 MET 36 HE1 MET 36 35.537 -22.108 -13.146 241 HE2 MET 36 HE2 MET 36 33.904 -22.181 -12.488 242 HE3 MET 36 HE3 MET 36 34.151 -21.698 -14.165 243 H LEU 37 HN LEU 37 32.180 -27.019 -10.016 244 HA LEU 37 HA LEU 37 30.001 -28.058 -11.407 245 HB2 LEU 37 HB2 LEU 37 31.334 -29.343 -9.770 246 HB3 LEU 37 HB1 LEU 37 30.633 -28.389 -8.463 247 HG LEU 37 HG LEU 37 28.621 -29.543 -10.267 248 HD11 LEU 37 HD11 LEU 37 28.882 -31.842 -9.333 249 HD12 LEU 37 HD12 LEU 37 30.419 -31.349 -8.621 250 HD13 LEU 37 HD13 LEU 37 30.228 -31.379 -10.374 251 HD21 LEU 37 HD21 LEU 37 28.314 -28.418 -7.990 252 HD22 LEU 37 HD22 LEU 37 29.002 -29.880 -7.282 253 HD23 LEU 37 HD23 LEU 37 27.496 -29.967 -8.196 254 H VAL 38 HN VAL 38 30.137 -25.317 -9.419 255 HA VAL 38 HA VAL 38 27.192 -25.319 -9.094 256 HB VAL 38 HB VAL 38 29.310 -23.953 -7.416 257 HG11 VAL 38 HG11 VAL 38 27.572 -22.449 -7.216 258 HG12 VAL 38 HG12 VAL 38 27.050 -23.631 -6.017 259 HG13 VAL 38 HG13 VAL 38 26.347 -23.648 -7.635 260 HG21 VAL 38 HG21 VAL 38 29.120 -26.345 -6.955 261 HG22 VAL 38 HG22 VAL 38 27.363 -26.216 -6.868 262 HG23 VAL 38 HG23 VAL 38 28.365 -25.442 -5.641 263 H PHE 39 HN PHE 39 29.473 -24.186 -11.070 264 HA PHE 39 HA PHE 39 28.170 -21.549 -11.402 265 HB2 PHE 39 HB2 PHE 39 30.593 -21.476 -10.730 266 HB3 PHE 39 HB1 PHE 39 30.976 -22.279 -12.251 267 HD1 PHE 39 HD2 PHE 39 29.037 -19.348 -10.939 268 HD2 PHE 39 HD1 PHE 39 31.398 -20.966 -14.142 269 HE1 PHE 39 HE2 PHE 39 28.951 -17.163 -12.107 270 HE2 PHE 39 HE1 PHE 39 31.313 -18.781 -15.309 271 HZ PHE 39 HZ PHE 39 30.089 -16.879 -14.292 272 H LEU 40 HN LEU 40 28.761 -24.603 -12.765 273 HA LEU 40 HA LEU 40 27.914 -23.622 -15.425 274 HB2 LEU 40 HB2 LEU 40 29.189 -25.403 -16.445 275 HB3 LEU 40 HB1 LEU 40 30.252 -24.499 -15.369 276 HG LEU 40 HG LEU 40 29.214 -26.401 -13.672 277 HD11 LEU 40 HD11 LEU 40 29.891 -27.875 -16.219 278 HD12 LEU 40 HD12 LEU 40 28.227 -27.446 -15.827 279 HD13 LEU 40 HD13 LEU 40 29.140 -28.507 -14.754 280 HD21 LEU 40 HD21 LEU 40 31.581 -25.710 -13.879 281 HD22 LEU 40 HD22 LEU 40 31.709 -26.607 -15.391 282 HD23 LEU 40 HD23 LEU 40 31.433 -27.467 -13.876 283 H LEU 41 HN LEU 41 27.299 -25.685 -12.774 284 HA LEU 41 HA LEU 41 25.223 -27.127 -14.308 285 HB2 LEU 41 HB2 LEU 41 26.327 -28.912 -13.452 286 HB3 LEU 41 HB1 LEU 41 27.127 -27.950 -12.218 287 HG LEU 41 HG LEU 41 25.116 -28.022 -10.810 288 HD11 LEU 41 HD11 LEU 41 23.852 -28.740 -13.301 289 HD12 LEU 41 HD12 LEU 41 23.091 -28.369 -11.755 290 HD13 LEU 41 HD13 LEU 41 23.574 -30.022 -12.125 291 HD21 LEU 41 HD21 LEU 41 25.079 -30.843 -11.330 292 HD22 LEU 41 HD22 LEU 41 25.889 -29.974 -10.026 293 HD23 LEU 41 HD23 LEU 41 26.722 -30.241 -11.557 294 H GLY 42 HN GLY 42 25.933 -25.544 -11.211 295 HA2 GLY 42 HA2 GLY 42 23.111 -25.476 -10.499 296 HA3 GLY 42 HA1 GLY 42 24.451 -24.870 -9.531 297 H THR 43 HN THR 43 24.994 -23.696 -12.549 298 HA THR 43 HA THR 43 23.316 -21.296 -12.144 299 HB THR 43 HB THR 43 26.256 -21.312 -12.863 300 HG1 THR 43 HG1 THR 43 25.145 -20.082 -10.614 301 HG21 THR 43 HG21 THR 43 25.564 -18.744 -12.203 302 HG22 THR 43 HG22 THR 43 24.115 -19.294 -13.043 303 HG23 THR 43 HG23 THR 43 25.679 -19.352 -13.854 304 H THR 44 HN THR 44 23.377 -23.736 -13.992 305 HA THR 44 HA THR 44 23.257 -22.220 -16.532 306 HB THR 44 HB THR 44 24.123 -25.095 -16.149 307 HG1 THR 44 HG1 THR 44 26.125 -24.319 -16.701 308 HG21 THR 44 HG21 THR 44 24.757 -24.665 -18.649 309 HG22 THR 44 HG22 THR 44 23.553 -23.381 -18.551 310 HG23 THR 44 HG23 THR 44 23.086 -25.054 -18.245 311 H GLY 45 HN GLY 45 21.968 -24.846 -14.566 312 HA2 GLY 45 HA2 GLY 45 19.445 -24.677 -16.103 313 HA3 GLY 45 HA1 GLY 45 20.120 -26.232 -15.623 314 H ASN 46 HN ASN 46 20.489 -23.535 -13.491 315 HA ASN 46 HA ASN 46 18.227 -24.445 -11.831 316 HB2 ASN 46 HB2 ASN 46 21.106 -24.122 -10.986 317 HB3 ASN 46 HB1 ASN 46 19.774 -24.112 -9.832 318 HD21 ASN 46 HD21 ASN 46 21.691 -26.155 -11.949 319 HD22 ASN 46 HD22 ASN 46 20.981 -27.624 -11.481 320 H GLY 47 HN GLY 47 20.709 -21.969 -12.386 321 HA2 GLY 47 HA2 GLY 47 19.402 -19.968 -10.800 322 HA3 GLY 47 HA1 GLY 47 20.731 -19.704 -11.924 323 H LEU 48 HN LEU 48 19.589 -20.676 -14.278 324 HA LEU 48 HA LEU 48 18.211 -18.451 -15.243 325 HB2 LEU 48 HB2 LEU 48 19.339 -19.949 -16.766 326 HB3 LEU 48 HB1 LEU 48 18.317 -21.297 -16.273 327 HG LEU 48 HG LEU 48 16.359 -20.257 -17.258 328 HD11 LEU 48 HD11 LEU 48 16.823 -18.066 -18.597 329 HD12 LEU 48 HD12 LEU 48 18.210 -17.893 -17.523 330 HD13 LEU 48 HD13 LEU 48 16.578 -17.949 -16.855 331 HD21 LEU 48 HD21 LEU 48 18.624 -21.081 -18.704 332 HD22 LEU 48 HD22 LEU 48 18.061 -19.622 -19.520 333 HD23 LEU 48 HD23 LEU 48 16.968 -20.989 -19.301 334 H VAL 49 HN VAL 49 16.938 -21.639 -14.282 335 HA VAL 49 HA VAL 49 14.225 -21.090 -14.775 336 HB VAL 49 HB VAL 49 15.648 -23.021 -12.957 337 HG11 VAL 49 HG11 VAL 49 13.700 -22.736 -11.698 338 HG12 VAL 49 HG12 VAL 49 13.223 -24.020 -12.808 339 HG13 VAL 49 HG13 VAL 49 12.721 -22.357 -13.115 340 HG21 VAL 49 HG21 VAL 49 14.975 -24.631 -14.565 341 HG22 VAL 49 HG22 VAL 49 15.466 -23.236 -15.527 342 HG23 VAL 49 HG23 VAL 49 13.754 -23.558 -15.249 343 H LEU 50 HN LEU 50 15.644 -21.411 -11.522 344 HA LEU 50 HA LEU 50 13.689 -20.258 -10.025 345 HB2 LEU 50 HB2 LEU 50 16.683 -20.158 -9.754 346 HB3 LEU 50 HB1 LEU 50 15.644 -19.355 -8.576 347 HG LEU 50 HG LEU 50 15.000 -22.179 -9.323 348 HD11 LEU 50 HD11 LEU 50 17.388 -21.261 -7.742 349 HD12 LEU 50 HD12 LEU 50 17.266 -22.582 -8.905 350 HD13 LEU 50 HD13 LEU 50 16.564 -22.756 -7.295 351 HD21 LEU 50 HD21 LEU 50 13.771 -20.508 -7.688 352 HD22 LEU 50 HD22 LEU 50 15.047 -20.983 -6.567 353 HD23 LEU 50 HD23 LEU 50 13.960 -22.202 -7.233 354 H TRP 51 HN TRP 51 15.834 -18.651 -12.237 355 HA TRP 51 HA TRP 51 15.221 -15.990 -11.255 356 HB2 TRP 51 HB2 TRP 51 17.415 -16.338 -12.195 357 HB3 TRP 51 HB1 TRP 51 16.727 -16.980 -13.685 358 HD1 TRP 51 HD1 TRP 51 17.367 -13.739 -11.821 359 HE1 TRP 51 HE1 TRP 51 16.887 -11.752 -13.392 360 HE3 TRP 51 HE3 TRP 51 15.281 -16.216 -15.768 361 HZ2 TRP 51 HZ2 TRP 51 15.768 -11.275 -15.981 362 HZ3 TRP 51 HZ3 TRP 51 14.517 -14.973 -17.772 363 HH2 TRP 51 HH2 TRP 51 14.759 -12.508 -17.882 364 H THR 52 HN THR 52 14.484 -17.915 -14.160 365 HA THR 52 HA THR 52 12.811 -15.964 -15.366 366 HB THR 52 HB THR 52 13.231 -18.913 -15.744 367 HG1 THR 52 HG1 THR 52 14.630 -17.914 -16.960 368 HG21 THR 52 HG21 THR 52 11.624 -18.561 -17.758 369 HG22 THR 52 HG22 THR 52 10.993 -17.209 -16.818 370 HG23 THR 52 HG23 THR 52 10.920 -18.847 -16.167 371 H VAL 53 HN VAL 53 12.143 -18.779 -13.309 372 HA VAL 53 HA VAL 53 9.343 -18.669 -13.378 373 HB VAL 53 HB VAL 53 11.287 -19.660 -11.295 374 HG11 VAL 53 HG11 VAL 53 8.305 -19.402 -11.207 375 HG12 VAL 53 HG12 VAL 53 9.480 -19.268 -9.898 376 HG13 VAL 53 HG13 VAL 53 9.040 -20.855 -10.528 377 HG21 VAL 53 HG21 VAL 53 10.656 -21.827 -12.126 378 HG22 VAL 53 HG22 VAL 53 10.987 -20.824 -13.539 379 HG23 VAL 53 HG23 VAL 53 9.321 -21.148 -13.057 380 H PHE 54 HN PHE 54 11.626 -17.185 -11.080 381 HA PHE 54 HA PHE 54 9.779 -15.962 -9.389 382 HB2 PHE 54 HB2 PHE 54 12.621 -15.469 -10.125 383 HB3 PHE 54 HB1 PHE 54 11.761 -14.168 -9.297 384 HD1 PHE 54 HD1 PHE 54 11.432 -17.885 -8.998 385 HD2 PHE 54 HD2 PHE 54 12.477 -14.197 -7.059 386 HE1 PHE 54 HE1 PHE 54 11.677 -19.087 -6.842 387 HE2 PHE 54 HE2 PHE 54 12.722 -15.399 -4.904 388 HZ PHE 54 HZ PHE 54 12.323 -17.844 -4.796 389 H ARG 55 HN ARG 55 10.485 -15.295 -12.662 390 HA ARG 55 HA ARG 55 9.301 -12.599 -12.487 391 HB2 ARG 55 HB2 ARG 55 11.165 -13.951 -14.378 392 HB3 ARG 55 HB1 ARG 55 10.066 -12.744 -15.046 393 HG2 ARG 55 HG2 ARG 55 11.050 -11.004 -13.896 394 HG3 ARG 55 HG1 ARG 55 11.513 -12.022 -12.534 395 HD2 ARG 55 HD2 ARG 55 12.822 -12.536 -15.172 396 HD3 ARG 55 HD1 ARG 55 13.328 -11.122 -14.254 397 HE ARG 55 HE ARG 55 13.967 -13.833 -13.643 398 HH11 ARG 55 HH21 ARG 55 13.120 -10.779 -12.253 399 HH12 ARG 55 HH22 ARG 55 13.923 -11.085 -10.749 400 HH21 ARG 55 HH11 ARG 55 15.017 -14.244 -11.670 401 HH22 ARG 55 HH12 ARG 55 14.996 -13.047 -10.418 402 H LYS 56 HN LYS 56 8.490 -15.786 -13.168 403 HA LYS 56 HA LYS 56 6.293 -14.980 -14.966 404 HB2 LYS 56 HB2 LYS 56 6.436 -17.005 -15.984 405 HB3 LYS 56 HB1 LYS 56 8.060 -17.010 -15.304 406 HG2 LYS 56 HG2 LYS 56 7.064 -18.152 -13.245 407 HG3 LYS 56 HG1 LYS 56 5.580 -18.349 -14.178 408 HD2 LYS 56 HD2 LYS 56 8.203 -19.290 -15.325 409 HD3 LYS 56 HD1 LYS 56 7.331 -20.287 -14.164 410 HE2 LYS 56 HE2 LYS 56 6.172 -19.200 -16.747 411 HE3 LYS 56 HE1 LYS 56 6.705 -20.860 -16.486 412 HZ1 LYS 56 HZ1 LYS 56 4.458 -19.442 -15.183 413 HZ2 LYS 56 HZ2 LYS 56 5.097 -20.890 -14.568 414 HZ3 LYS 56 HZ3 LYS 56 4.403 -20.857 -16.117 415 H LYS 57 HN LYS 57 7.070 -16.171 -11.820 416 HA LYS 57 HA LYS 57 4.254 -16.806 -11.266 417 HB2 LYS 57 HB2 LYS 57 6.229 -18.304 -10.535 418 HB3 LYS 57 HB1 LYS 57 6.538 -17.068 -9.315 419 HG2 LYS 57 HG2 LYS 57 3.861 -17.390 -9.000 420 HG3 LYS 57 HG1 LYS 57 4.313 -19.018 -9.508 421 HD2 LYS 57 HD2 LYS 57 6.081 -19.039 -7.748 422 HD3 LYS 57 HD1 LYS 57 5.515 -17.460 -7.200 423 HE2 LYS 57 HE2 LYS 57 3.282 -18.414 -6.751 424 HE3 LYS 57 HE1 LYS 57 3.849 -19.994 -7.293 425 HZ1 LYS 57 HZ1 LYS 57 4.489 -20.331 -5.211 426 HZ2 LYS 57 HZ2 LYS 57 4.210 -18.713 -4.775 427 HZ3 LYS 57 HZ3 LYS 57 5.700 -19.169 -5.451 428 H GLY 58 HN GLY 58 6.626 -14.364 -10.869 429 HA2 GLY 58 HA2 GLY 58 5.760 -13.072 -8.529 430 HA3 GLY 58 HA1 GLY 58 6.570 -12.289 -9.887 431 H HIS 59 HN HIS 59 4.822 -12.657 -11.919 432 HA HIS 59 HA HIS 59 2.143 -11.968 -11.223 433 HB2 HIS 59 HB2 HIS 59 4.008 -9.851 -11.282 434 HB3 HIS 59 HB1 HIS 59 3.063 -9.721 -12.764 435 HD2 HIS 59 HD2 HIS 59 2.420 -9.700 -8.858 436 HE1 HIS 59 HE1 HIS 59 -1.020 -8.218 -10.804 437 HE2 HIS 59 HE2 HIS 59 0.067 -8.613 -8.544 438 H HIS 60 HN HIS 60 3.893 -13.712 -12.978 439 HA HIS 60 HA HIS 60 4.025 -14.432 -15.174 440 HB2 HIS 60 HB2 HIS 60 1.889 -15.073 -16.030 441 HB3 HIS 60 HB1 HIS 60 1.784 -15.185 -14.271 442 HD2 HIS 60 HD2 HIS 60 -0.227 -13.619 -13.166 443 HE1 HIS 60 HE1 HIS 60 -1.079 -11.286 -16.580 444 HE2 HIS 60 HE2 HIS 60 -1.791 -11.801 -14.197 445 H HIS 61 HN HIS 61 4.375 -11.519 -14.733 446 HA HIS 61 HA HIS 61 3.331 -10.448 -17.278 447 HB2 HIS 61 HB2 HIS 61 3.006 -9.217 -15.055 448 HB3 HIS 61 HB1 HIS 61 4.736 -8.875 -15.122 449 HD2 HIS 61 HD2 HIS 61 4.235 -8.579 -18.651 450 HE1 HIS 61 HE1 HIS 61 2.535 -4.959 -17.298 451 HE2 HIS 61 HE2 HIS 61 3.425 -6.191 -19.332 452 H HIS 62 HN HIS 62 5.624 -8.390 -16.789 453 HA HIS 62 HA HIS 62 7.587 -9.863 -18.414 454 HB2 HIS 62 HB2 HIS 62 6.611 -7.109 -18.346 455 HB3 HIS 62 HB1 HIS 62 8.371 -7.210 -18.380 456 HD2 HIS 62 HD2 HIS 62 5.644 -7.128 -20.922 457 HE1 HIS 62 HE1 HIS 62 8.611 -9.561 -22.682 458 HE2 HIS 62 HE2 HIS 62 6.480 -8.252 -23.125 459 H HIS 63 HN HIS 63 8.063 -7.052 -16.312 460 HA HIS 63 HA HIS 63 10.348 -8.443 -15.085 461 HB2 HIS 63 HB2 HIS 63 10.470 -6.091 -16.204 462 HB3 HIS 63 HB1 HIS 63 9.724 -5.530 -14.706 463 HD2 HIS 63 HD2 HIS 63 13.196 -6.650 -15.993 464 HE1 HIS 63 HE1 HIS 63 13.506 -6.275 -11.799 465 HE2 HIS 63 HE2 HIS 63 14.819 -6.602 -13.948 466 H HIS 64 HN HIS 64 7.856 -9.297 -14.210 467 HA HIS 64 HA HIS 64 6.469 -9.452 -12.361 468 HB2 HIS 64 HB2 HIS 64 7.689 -9.857 -10.320 469 HB3 HIS 64 HB1 HIS 64 8.636 -10.505 -11.659 470 HD2 HIS 64 HD2 HIS 64 11.095 -9.190 -12.119 471 HE1 HIS 64 HE1 HIS 64 10.732 -6.388 -8.982 472 HE2 HIS 64 HE2 HIS 64 12.306 -7.337 -10.734 Start of MODEL 35 1 H1 MET 1 HT1 MET 1 0.876 -2.384 -22.857 2 H2 MET 1 HT2 MET 1 2.528 -1.991 -22.873 3 H3 MET 1 HT3 MET 1 1.604 -1.735 -21.470 4 HA MET 1 HA MET 1 1.615 -3.905 -20.862 5 HB2 MET 1 HB2 MET 1 2.071 -4.628 -23.773 6 HB3 MET 1 HB1 MET 1 1.724 -5.751 -22.459 7 HG2 MET 1 HG2 MET 1 -0.310 -3.817 -22.327 8 HG3 MET 1 HG1 MET 1 -0.121 -4.173 -24.045 9 HE1 MET 1 HE1 MET 1 -1.759 -6.036 -25.016 10 HE2 MET 1 HE2 MET 1 -1.093 -7.626 -24.648 11 HE3 MET 1 HE3 MET 1 -0.010 -6.299 -25.062 12 H GLU 2 HN GLU 2 3.541 -2.973 -19.894 13 HA GLU 2 HA GLU 2 6.082 -3.267 -21.248 14 HB2 GLU 2 HB2 GLU 2 5.308 -2.443 -18.446 15 HB3 GLU 2 HB1 GLU 2 6.985 -2.575 -18.979 16 HG2 GLU 2 HG2 GLU 2 6.861 -0.697 -20.262 17 HG3 GLU 2 HG1 GLU 2 5.217 -1.049 -20.792 18 H GLU 3 HN GLU 3 7.461 -4.937 -21.112 19 HA GLU 3 HA GLU 3 7.617 -6.732 -18.920 20 HB2 GLU 3 HB2 GLU 3 5.423 -7.410 -20.076 21 HB3 GLU 3 HB1 GLU 3 6.445 -8.003 -21.387 22 HG2 GLU 3 HG2 GLU 3 6.440 -9.923 -20.147 23 HG3 GLU 3 HG1 GLU 3 7.729 -9.099 -19.271 24 H GLY 4 HN GLY 4 9.635 -5.426 -19.946 25 HA2 GLY 4 HA2 GLY 4 11.410 -7.446 -20.885 26 HA3 GLY 4 HA1 GLY 4 10.984 -6.344 -22.190 27 H GLY 5 HN GLY 5 12.064 -6.272 -18.789 28 HA2 GLY 5 HA2 GLY 5 13.345 -3.684 -19.199 29 HA3 GLY 5 HA1 GLY 5 13.236 -4.568 -17.681 30 H ASP 6 HN ASP 6 14.565 -6.589 -17.545 31 HA ASP 6 HA ASP 6 16.609 -7.635 -17.603 32 HB2 ASP 6 HB2 ASP 6 15.898 -7.792 -20.069 33 HB3 ASP 6 HB1 ASP 6 17.015 -6.457 -20.345 34 H PHE 7 HN PHE 7 16.699 -5.412 -16.162 35 HA PHE 7 HA PHE 7 19.416 -4.498 -16.534 36 HB2 PHE 7 HB2 PHE 7 17.079 -2.749 -17.136 37 HB3 PHE 7 HB1 PHE 7 18.439 -2.034 -16.270 38 HD1 PHE 7 HD2 PHE 7 20.834 -2.735 -17.253 39 HD2 PHE 7 HD1 PHE 7 17.156 -2.712 -19.470 40 HE1 PHE 7 HE2 PHE 7 22.112 -2.572 -19.372 41 HE2 PHE 7 HE1 PHE 7 18.433 -2.549 -21.588 42 HZ PHE 7 HZ PHE 7 20.911 -2.480 -21.540 43 H ASP 8 HN ASP 8 19.650 -5.521 -14.497 44 HA ASP 8 HA ASP 8 18.927 -3.789 -12.264 45 HB2 ASP 8 HB2 ASP 8 18.108 -6.700 -12.392 46 HB3 ASP 8 HB1 ASP 8 18.044 -5.704 -10.939 47 H ASN 9 HN ASN 9 21.279 -5.105 -13.845 48 HA ASN 9 HA ASN 9 22.711 -6.777 -12.102 49 HB2 ASN 9 HB2 ASN 9 23.633 -4.845 -14.234 50 HB3 ASN 9 HB1 ASN 9 24.729 -5.927 -13.375 51 HD21 ASN 9 HD21 ASN 9 21.396 -6.485 -14.640 52 HD22 ASN 9 HD22 ASN 9 21.830 -7.817 -15.597 53 H TYR 10 HN TYR 10 24.227 -3.720 -12.821 54 HA TYR 10 HA TYR 10 25.535 -3.322 -10.473 55 HB2 TYR 10 HB2 TYR 10 24.765 -1.674 -12.699 56 HB3 TYR 10 HB1 TYR 10 24.622 -0.750 -11.204 57 HD1 TYR 10 HD2 TYR 10 26.572 -0.384 -9.751 58 HD2 TYR 10 HD1 TYR 10 26.914 -2.518 -13.463 59 HE1 TYR 10 HE2 TYR 10 29.040 -0.150 -9.658 60 HE2 TYR 10 HE1 TYR 10 29.381 -2.285 -13.371 61 HH TYR 10 HH TYR 10 31.049 -0.815 -12.330 62 H TYR 11 HN TYR 11 25.068 -2.764 -8.423 63 HA TYR 11 HA TYR 11 23.865 -2.167 -6.556 64 HB2 TYR 11 HB2 TYR 11 23.236 -0.244 -8.321 65 HB3 TYR 11 HB1 TYR 11 21.643 -0.976 -8.129 66 HD1 TYR 11 HD2 TYR 11 24.418 0.733 -6.384 67 HD2 TYR 11 HD1 TYR 11 20.448 -0.867 -6.024 68 HE1 TYR 11 HE2 TYR 11 24.153 1.883 -4.204 69 HE2 TYR 11 HE1 TYR 11 20.183 0.285 -3.843 70 HH TYR 11 HH TYR 11 21.600 1.181 -2.055 71 H GLY 12 HN GLY 12 23.515 -4.722 -7.657 72 HA2 GLY 12 HA2 GLY 12 21.243 -5.646 -6.299 73 HA3 GLY 12 HA1 GLY 12 20.825 -5.499 -8.003 74 H ALA 13 HN ALA 13 23.736 -6.040 -8.645 75 HA ALA 13 HA ALA 13 23.489 -8.959 -8.668 76 HB1 ALA 13 HB1 ALA 13 24.220 -8.598 -10.764 77 HB2 ALA 13 HB2 ALA 13 25.802 -8.286 -10.049 78 HB3 ALA 13 HB3 ALA 13 24.707 -6.945 -10.388 79 H ASP 14 HN ASP 14 25.398 -6.402 -7.280 80 HA ASP 14 HA ASP 14 27.271 -8.368 -6.123 81 HB2 ASP 14 HB2 ASP 14 27.426 -5.387 -6.548 82 HB3 ASP 14 HB1 ASP 14 28.528 -6.231 -5.462 83 H ASN 15 HN ASN 15 24.574 -6.415 -5.419 84 HA ASN 15 HA ASN 15 24.982 -5.702 -2.748 85 HB2 ASN 15 HB2 ASN 15 23.057 -4.754 -3.559 86 HB3 ASN 15 HB1 ASN 15 22.602 -6.194 -4.467 87 HD21 ASN 15 HD21 ASN 15 21.293 -7.780 -3.403 88 HD22 ASN 15 HD22 ASN 15 20.687 -7.565 -1.833 89 H GLN 16 HN GLN 16 24.505 -8.790 -4.183 90 HA GLN 16 HA GLN 16 23.827 -10.013 -1.593 91 HB2 GLN 16 HB2 GLN 16 23.066 -11.885 -2.776 92 HB3 GLN 16 HB1 GLN 16 22.604 -10.542 -3.823 93 HG2 GLN 16 HG2 GLN 16 24.965 -10.915 -4.896 94 HG3 GLN 16 HG1 GLN 16 24.850 -12.511 -4.157 95 HE21 GLN 16 HE21 GLN 16 23.652 -10.489 -6.749 96 HE22 GLN 16 HE22 GLN 16 22.633 -11.654 -7.444 97 H SER 17 HN SER 17 26.523 -9.154 -3.261 98 HA SER 17 HA SER 17 28.065 -11.558 -2.563 99 HB2 SER 17 HB2 SER 17 29.721 -10.799 -4.040 100 HB3 SER 17 HB1 SER 17 28.224 -10.324 -4.837 101 HG SER 17 HG SER 17 29.151 -8.482 -3.035 102 H GLU 18 HN GLU 18 27.824 -8.103 -1.869 103 HA GLU 18 HA GLU 18 30.078 -7.633 -0.377 104 HB2 GLU 18 HB2 GLU 18 28.967 -5.811 0.550 105 HB3 GLU 18 HB1 GLU 18 28.015 -6.108 -0.905 106 HG2 GLU 18 HG2 GLU 18 26.590 -7.665 0.616 107 HG3 GLU 18 HG1 GLU 18 27.351 -6.800 1.950 108 H CYS 19 HN CYS 19 27.537 -9.821 0.320 109 HA CYS 19 HA CYS 19 27.895 -9.921 3.170 110 HB2 CYS 19 HB2 CYS 19 25.774 -10.610 2.252 111 HB3 CYS 19 HB1 CYS 19 26.556 -11.807 1.221 112 HG CYS 19 HG CYS 19 26.138 -13.327 3.147 113 H GLU 20 HN GLU 20 29.053 -11.811 0.405 114 HA GLU 20 HA GLU 20 30.693 -13.458 2.201 115 HB2 GLU 20 HB2 GLU 20 30.879 -15.001 0.457 116 HB3 GLU 20 HB1 GLU 20 29.250 -14.364 0.231 117 HG2 GLU 20 HG2 GLU 20 30.411 -12.606 -1.306 118 HG3 GLU 20 HG1 GLU 20 31.747 -13.756 -1.336 119 H TYR 21 HN TYR 21 30.925 -10.627 0.437 120 HA TYR 21 HA TYR 21 33.418 -10.711 -0.793 121 HB2 TYR 21 HB2 TYR 21 31.997 -8.791 -1.075 122 HB3 TYR 21 HB1 TYR 21 32.034 -8.447 0.654 123 HD1 TYR 21 HD1 TYR 21 34.131 -7.656 1.736 124 HD2 TYR 21 HD2 TYR 21 33.823 -8.171 -2.517 125 HE1 TYR 21 HE1 TYR 21 36.174 -6.285 1.422 126 HE2 TYR 21 HE2 TYR 21 35.867 -6.802 -2.832 127 HH TYR 21 HH TYR 21 37.072 -4.969 -1.491 128 H THR 22 HN THR 22 32.592 -10.478 2.598 129 HA THR 22 HA THR 22 35.305 -9.833 3.411 130 HB THR 22 HB THR 22 33.984 -10.619 5.690 131 HG1 THR 22 HG1 THR 22 32.065 -10.938 4.561 132 HG21 THR 22 HG21 THR 22 33.953 -7.917 4.318 133 HG22 THR 22 HG22 THR 22 35.229 -8.530 5.369 134 HG23 THR 22 HG23 THR 22 33.630 -8.189 6.030 135 H ASP 23 HN ASP 23 34.044 -12.524 2.170 136 HA ASP 23 HA ASP 23 35.720 -14.296 3.847 137 HB2 ASP 23 HB2 ASP 23 33.083 -14.940 2.510 138 HB3 ASP 23 HB1 ASP 23 34.125 -16.123 3.299 139 H TRP 24 HN TRP 24 34.107 -14.118 0.670 140 HA TRP 24 HA TRP 24 35.477 -15.944 -0.786 141 HB2 TRP 24 HB2 TRP 24 34.098 -14.920 -2.247 142 HB3 TRP 24 HB1 TRP 24 34.178 -13.387 -1.378 143 HD1 TRP 24 HD1 TRP 24 35.622 -15.233 -4.315 144 HE1 TRP 24 HE1 TRP 24 37.291 -13.711 -5.559 145 HE3 TRP 24 HE3 TRP 24 35.988 -11.396 -0.964 146 HZ2 TRP 24 HZ2 TRP 24 38.606 -11.200 -5.182 147 HZ3 TRP 24 HZ3 TRP 24 37.455 -9.455 -1.431 148 HH2 TRP 24 HH2 TRP 24 38.764 -9.351 -3.534 149 H LYS 25 HN LYS 25 36.680 -12.789 0.243 150 HA LYS 25 HA LYS 25 38.959 -12.493 -1.253 151 HB2 LYS 25 HB2 LYS 25 38.032 -11.050 0.700 152 HB3 LYS 25 HB1 LYS 25 39.061 -12.056 1.719 153 HG2 LYS 25 HG2 LYS 25 41.007 -11.481 0.285 154 HG3 LYS 25 HG1 LYS 25 39.969 -10.421 -0.669 155 HD2 LYS 25 HD2 LYS 25 39.503 -9.049 1.302 156 HD3 LYS 25 HD1 LYS 25 40.455 -10.138 2.311 157 HE2 LYS 25 HE2 LYS 25 41.830 -8.219 1.733 158 HE3 LYS 25 HE1 LYS 25 42.450 -9.634 0.881 159 HZ1 LYS 25 HZ1 LYS 25 40.413 -8.066 -0.487 160 HZ2 LYS 25 HZ2 LYS 25 41.788 -8.844 -1.111 161 HZ3 LYS 25 HZ3 LYS 25 41.940 -7.344 -0.328 162 H SER 26 HN SER 26 38.450 -14.620 1.515 163 HA SER 26 HA SER 26 41.127 -15.798 1.066 164 HB2 SER 26 HB2 SER 26 39.352 -15.844 3.515 165 HB3 SER 26 HB1 SER 26 40.882 -16.704 3.370 166 HG SER 26 HG SER 26 40.837 -13.989 2.729 167 H SER 27 HN SER 27 37.695 -16.507 1.456 168 HA SER 27 HA SER 27 38.182 -19.352 0.915 169 HB2 SER 27 HB2 SER 27 35.627 -17.895 1.628 170 HB3 SER 27 HB1 SER 27 35.797 -19.639 1.449 171 HG SER 27 HG SER 27 35.982 -18.848 3.640 172 H GLY 28 HN GLY 28 38.594 -17.301 -1.137 173 HA2 GLY 28 HA2 GLY 28 36.679 -18.335 -3.133 174 HA3 GLY 28 HA1 GLY 28 37.042 -16.615 -3.060 175 H ALA 29 HN ALA 29 39.482 -19.023 -2.403 176 HA ALA 29 HA ALA 29 40.701 -18.524 -5.051 177 HB1 ALA 29 HB1 ALA 29 42.282 -17.334 -3.975 178 HB2 ALA 29 HB2 ALA 29 42.848 -18.883 -3.352 179 HB3 ALA 29 HB3 ALA 29 41.746 -17.895 -2.392 180 H LEU 30 HN LEU 30 39.256 -20.797 -3.376 181 HA LEU 30 HA LEU 30 40.850 -22.919 -4.566 182 HB2 LEU 30 HB2 LEU 30 40.789 -24.190 -2.335 183 HB3 LEU 30 HB1 LEU 30 41.980 -22.899 -2.493 184 HG LEU 30 HG LEU 30 39.379 -21.953 -1.518 185 HD11 LEU 30 HD11 LEU 30 39.389 -24.181 -0.453 186 HD12 LEU 30 HD12 LEU 30 39.646 -22.911 0.744 187 HD13 LEU 30 HD13 LEU 30 41.008 -23.875 0.174 188 HD21 LEU 30 HD21 LEU 30 42.117 -21.793 -0.237 189 HD22 LEU 30 HD22 LEU 30 40.769 -20.670 -0.055 190 HD23 LEU 30 HD23 LEU 30 41.642 -20.756 -1.584 191 H ILE 31 HN ILE 31 38.018 -21.930 -2.709 192 HA ILE 31 HA ILE 31 36.586 -24.378 -3.147 193 HB ILE 31 HB ILE 31 35.218 -21.800 -2.488 194 HG12 ILE 31 HG12 ILE 31 37.262 -23.269 -0.839 195 HG13 ILE 31 HG11 ILE 31 37.041 -21.531 -1.038 196 HG21 ILE 31 HG21 ILE 31 34.173 -24.179 -2.705 197 HG22 ILE 31 HG22 ILE 31 33.749 -23.199 -1.302 198 HG23 ILE 31 HG23 ILE 31 34.947 -24.483 -1.150 199 HD11 ILE 31 HD11 ILE 31 35.437 -23.453 0.637 200 HD12 ILE 31 HD12 ILE 31 34.735 -21.925 0.104 201 HD13 ILE 31 HD13 ILE 31 36.182 -21.928 1.114 202 HA PRO 32 HA PRO 32 34.403 -21.369 -6.423 203 HB2 PRO 32 HB2 PRO 32 36.962 -20.417 -7.621 204 HB3 PRO 32 HB1 PRO 32 35.424 -19.558 -7.410 205 HG2 PRO 32 HG2 PRO 32 37.508 -19.036 -5.854 206 HG3 PRO 32 HG1 PRO 32 35.856 -19.046 -5.208 207 HD2 PRO 32 HD2 PRO 32 38.014 -21.094 -4.905 208 HD3 PRO 32 HD1 PRO 32 36.771 -20.591 -3.738 209 H ALA 33 HN ALA 33 37.309 -23.279 -6.657 210 HA ALA 33 HA ALA 33 37.184 -24.021 -9.369 211 HB1 ALA 33 HB1 ALA 33 39.181 -24.587 -8.277 212 HB2 ALA 33 HB2 ALA 33 38.375 -26.142 -8.475 213 HB3 ALA 33 HB3 ALA 33 38.337 -25.322 -6.914 214 H ILE 34 HN ILE 34 36.299 -26.114 -6.621 215 HA ILE 34 HA ILE 34 34.796 -27.921 -8.152 216 HB ILE 34 HB ILE 34 35.466 -27.521 -5.393 217 HG12 ILE 34 HG12 ILE 34 35.972 -29.496 -6.804 218 HG13 ILE 34 HG11 ILE 34 35.157 -29.944 -5.308 219 HG21 ILE 34 HG21 ILE 34 32.560 -28.286 -5.853 220 HG22 ILE 34 HG22 ILE 34 33.139 -26.843 -5.013 221 HG23 ILE 34 HG23 ILE 34 33.432 -28.438 -4.331 222 HD11 ILE 34 HD11 ILE 34 33.478 -30.895 -6.462 223 HD12 ILE 34 HD12 ILE 34 34.356 -30.561 -7.954 224 HD13 ILE 34 HD13 ILE 34 33.185 -29.394 -7.342 225 H TYR 35 HN TYR 35 33.913 -24.933 -6.523 226 HA TYR 35 HA TYR 35 31.121 -25.144 -6.677 227 HB2 TYR 35 HB2 TYR 35 32.999 -23.176 -5.927 228 HB3 TYR 35 HB1 TYR 35 31.957 -22.432 -7.137 229 HD1 TYR 35 HD2 TYR 35 29.359 -23.186 -6.855 230 HD2 TYR 35 HD1 TYR 35 32.282 -22.998 -3.713 231 HE1 TYR 35 HE2 TYR 35 27.544 -22.981 -5.178 232 HE2 TYR 35 HE1 TYR 35 30.468 -22.792 -2.036 233 HH TYR 35 HH TYR 35 27.498 -23.630 -2.430 234 H MET 36 HN MET 36 33.266 -23.300 -8.867 235 HA MET 36 HA MET 36 31.528 -22.529 -10.801 236 HB2 MET 36 HB2 MET 36 34.375 -23.381 -10.854 237 HB3 MET 36 HB1 MET 36 33.552 -23.248 -12.409 238 HG2 MET 36 HG2 MET 36 34.699 -21.123 -11.571 239 HG3 MET 36 HG1 MET 36 33.006 -20.953 -12.034 240 HE1 MET 36 HE1 MET 36 31.709 -19.061 -9.261 241 HE2 MET 36 HE2 MET 36 31.177 -20.129 -10.557 242 HE3 MET 36 HE3 MET 36 32.435 -18.936 -10.869 243 H LEU 37 HN LEU 37 33.144 -25.708 -10.729 244 HA LEU 37 HA LEU 37 31.901 -26.793 -12.992 245 HB2 LEU 37 HB2 LEU 37 33.865 -27.768 -11.753 246 HB3 LEU 37 HB1 LEU 37 32.731 -28.333 -10.526 247 HG LEU 37 HG LEU 37 31.592 -29.128 -12.960 248 HD11 LEU 37 HD11 LEU 37 34.575 -29.687 -12.905 249 HD12 LEU 37 HD12 LEU 37 33.739 -28.672 -14.079 250 HD13 LEU 37 HD13 LEU 37 33.423 -30.407 -14.030 251 HD21 LEU 37 HD21 LEU 37 32.155 -31.395 -12.139 252 HD22 LEU 37 HD22 LEU 37 31.569 -30.370 -10.828 253 HD23 LEU 37 HD23 LEU 37 33.296 -30.692 -10.992 254 H VAL 38 HN VAL 38 30.836 -26.575 -9.642 255 HA VAL 38 HA VAL 38 28.398 -28.091 -10.260 256 HB VAL 38 HB VAL 38 29.484 -26.984 -7.659 257 HG11 VAL 38 HG11 VAL 38 27.594 -28.678 -6.859 258 HG12 VAL 38 HG12 VAL 38 26.881 -28.253 -8.415 259 HG13 VAL 38 HG13 VAL 38 27.210 -26.995 -7.222 260 HG21 VAL 38 HG21 VAL 38 30.293 -29.099 -7.240 261 HG22 VAL 38 HG22 VAL 38 30.394 -29.131 -9.000 262 HG23 VAL 38 HG23 VAL 38 29.026 -29.884 -8.182 263 H PHE 39 HN PHE 39 29.418 -25.017 -10.631 264 HA PHE 39 HA PHE 39 26.938 -23.735 -9.730 265 HB2 PHE 39 HB2 PHE 39 29.355 -22.779 -9.441 266 HB3 PHE 39 HB1 PHE 39 29.176 -22.306 -11.130 267 HD1 PHE 39 HD1 PHE 39 27.305 -22.194 -7.882 268 HD2 PHE 39 HD2 PHE 39 28.138 -20.267 -11.629 269 HE1 PHE 39 HE1 PHE 39 25.933 -20.247 -7.186 270 HE2 PHE 39 HE2 PHE 39 26.767 -18.322 -10.934 271 HZ PHE 39 HZ PHE 39 25.664 -18.312 -8.713 272 H LEU 40 HN LEU 40 28.944 -23.763 -12.692 273 HA LEU 40 HA LEU 40 26.867 -22.751 -14.348 274 HB2 LEU 40 HB2 LEU 40 28.328 -23.426 -16.223 275 HB3 LEU 40 HB1 LEU 40 29.228 -22.556 -14.979 276 HG LEU 40 HG LEU 40 29.411 -25.173 -14.120 277 HD11 LEU 40 HD11 LEU 40 29.881 -25.201 -17.108 278 HD12 LEU 40 HD12 LEU 40 28.385 -25.786 -16.381 279 HD13 LEU 40 HD13 LEU 40 29.918 -26.566 -15.993 280 HD21 LEU 40 HD21 LEU 40 31.295 -23.643 -15.944 281 HD22 LEU 40 HD22 LEU 40 31.748 -25.014 -14.933 282 HD23 LEU 40 HD23 LEU 40 31.225 -23.503 -14.188 283 H LEU 41 HN LEU 41 27.260 -25.734 -12.888 284 HA LEU 41 HA LEU 41 26.090 -27.362 -14.974 285 HB2 LEU 41 HB2 LEU 41 27.360 -27.798 -12.428 286 HB3 LEU 41 HB1 LEU 41 25.810 -28.633 -12.462 287 HG LEU 41 HG LEU 41 27.921 -28.850 -14.629 288 HD11 LEU 41 HD11 LEU 41 27.672 -31.328 -13.480 289 HD12 LEU 41 HD12 LEU 41 27.506 -30.272 -12.077 290 HD13 LEU 41 HD13 LEU 41 28.946 -30.173 -13.090 291 HD21 LEU 41 HD21 LEU 41 26.292 -29.850 -15.828 292 HD22 LEU 41 HD22 LEU 41 25.137 -29.478 -14.547 293 HD23 LEU 41 HD23 LEU 41 26.024 -31.003 -14.520 294 H GLY 42 HN GLY 42 25.046 -26.411 -11.704 295 HA2 GLY 42 HA2 GLY 42 22.291 -27.061 -12.288 296 HA3 GLY 42 HA1 GLY 42 22.912 -26.382 -10.787 297 H THR 43 HN THR 43 24.126 -24.073 -11.611 298 HA THR 43 HA THR 43 22.056 -22.241 -11.761 299 HB THR 43 HB THR 43 24.788 -21.715 -12.930 300 HG1 THR 43 HG1 THR 43 25.164 -21.141 -10.606 301 HG21 THR 43 HG21 THR 43 24.384 -19.497 -11.818 302 HG22 THR 43 HG22 THR 43 22.755 -20.045 -11.424 303 HG23 THR 43 HG23 THR 43 23.241 -19.861 -13.109 304 H THR 44 HN THR 44 22.986 -24.365 -14.160 305 HA THR 44 HA THR 44 22.034 -22.603 -16.322 306 HB THR 44 HB THR 44 23.807 -25.022 -16.260 307 HG1 THR 44 HG1 THR 44 23.941 -22.560 -17.654 308 HG21 THR 44 HG21 THR 44 22.053 -24.064 -18.506 309 HG22 THR 44 HG22 THR 44 22.360 -25.715 -17.967 310 HG23 THR 44 HG23 THR 44 23.605 -24.829 -18.848 311 H GLY 45 HN GLY 45 21.430 -25.551 -14.567 312 HA2 GLY 45 HA2 GLY 45 18.932 -25.922 -16.116 313 HA3 GLY 45 HA1 GLY 45 19.913 -27.281 -15.580 314 H ASN 46 HN ASN 46 19.575 -24.484 -13.553 315 HA ASN 46 HA ASN 46 17.389 -25.612 -12.000 316 HB2 ASN 46 HB2 ASN 46 20.197 -25.396 -10.895 317 HB3 ASN 46 HB1 ASN 46 18.759 -25.614 -9.901 318 HD21 ASN 46 HD21 ASN 46 20.507 -27.146 -12.649 319 HD22 ASN 46 HD22 ASN 46 20.031 -28.729 -12.258 320 H GLY 47 HN GLY 47 20.069 -23.256 -11.878 321 HA2 GLY 47 HA2 GLY 47 18.640 -21.348 -10.321 322 HA3 GLY 47 HA1 GLY 47 20.111 -21.041 -11.237 323 H LEU 48 HN LEU 48 19.164 -21.775 -13.795 324 HA LEU 48 HA LEU 48 18.082 -19.377 -14.721 325 HB2 LEU 48 HB2 LEU 48 19.228 -20.843 -16.245 326 HB3 LEU 48 HB1 LEU 48 18.084 -22.148 -15.938 327 HG LEU 48 HG LEU 48 16.301 -20.940 -17.030 328 HD11 LEU 48 HD11 LEU 48 16.964 -18.677 -18.126 329 HD12 LEU 48 HD12 LEU 48 18.274 -18.659 -16.946 330 HD13 LEU 48 HD13 LEU 48 16.597 -18.682 -16.403 331 HD21 LEU 48 HD21 LEU 48 18.571 -20.338 -18.879 332 HD22 LEU 48 HD22 LEU 48 17.052 -21.175 -19.202 333 HD23 LEU 48 HD23 LEU 48 18.355 -22.007 -18.353 334 H VAL 49 HN VAL 49 16.423 -22.522 -14.343 335 HA VAL 49 HA VAL 49 13.842 -21.619 -14.957 336 HB VAL 49 HB VAL 49 14.891 -23.916 -13.322 337 HG11 VAL 49 HG11 VAL 49 12.875 -23.564 -12.182 338 HG12 VAL 49 HG12 VAL 49 12.385 -24.660 -13.474 339 HG13 VAL 49 HG13 VAL 49 12.064 -22.931 -13.614 340 HG21 VAL 49 HG21 VAL 49 14.893 -23.744 -15.914 341 HG22 VAL 49 HG22 VAL 49 13.148 -23.962 -15.784 342 HG23 VAL 49 HG23 VAL 49 14.240 -25.212 -15.187 343 H LEU 50 HN LEU 50 15.083 -22.364 -11.689 344 HA LEU 50 HA LEU 50 13.053 -21.266 -10.194 345 HB2 LEU 50 HB2 LEU 50 16.008 -21.516 -9.714 346 HB3 LEU 50 HB1 LEU 50 14.984 -20.702 -8.531 347 HG LEU 50 HG LEU 50 14.101 -23.361 -9.588 348 HD11 LEU 50 HD11 LEU 50 16.447 -22.839 -7.798 349 HD12 LEU 50 HD12 LEU 50 16.226 -24.100 -9.012 350 HD13 LEU 50 HD13 LEU 50 15.412 -24.224 -7.452 351 HD21 LEU 50 HD21 LEU 50 12.946 -21.672 -7.884 352 HD22 LEU 50 HD22 LEU 50 14.016 -22.469 -6.731 353 HD23 LEU 50 HD23 LEU 50 12.839 -23.415 -7.643 354 H TRP 51 HN TRP 51 15.598 -19.633 -11.941 355 HA TRP 51 HA TRP 51 15.109 -17.052 -10.736 356 HB2 TRP 51 HB2 TRP 51 17.329 -17.490 -11.548 357 HB3 TRP 51 HB1 TRP 51 16.717 -17.923 -13.144 358 HD1 TRP 51 HD1 TRP 51 17.491 -14.954 -10.926 359 HE1 TRP 51 HE1 TRP 51 17.293 -12.790 -12.312 360 HE3 TRP 51 HE3 TRP 51 15.469 -16.834 -15.222 361 HZ2 TRP 51 HZ2 TRP 51 16.397 -11.962 -14.899 362 HZ3 TRP 51 HZ3 TRP 51 14.954 -15.337 -17.130 363 HH2 TRP 51 HH2 TRP 51 15.415 -12.906 -16.973 364 H THR 52 HN THR 52 14.329 -18.667 -13.790 365 HA THR 52 HA THR 52 13.024 -16.458 -15.000 366 HB THR 52 HB THR 52 12.606 -19.419 -15.474 367 HG1 THR 52 HG1 THR 52 14.261 -19.262 -16.855 368 HG21 THR 52 HG21 THR 52 11.382 -17.043 -16.574 369 HG22 THR 52 HG22 THR 52 11.021 -18.735 -16.915 370 HG23 THR 52 HG23 THR 52 12.280 -17.902 -17.826 371 H VAL 53 HN VAL 53 11.798 -19.288 -13.224 372 HA VAL 53 HA VAL 53 9.073 -18.727 -13.374 373 HB VAL 53 HB VAL 53 10.730 -20.110 -11.264 374 HG11 VAL 53 HG11 VAL 53 7.767 -19.555 -11.365 375 HG12 VAL 53 HG12 VAL 53 8.872 -19.381 -10.002 376 HG13 VAL 53 HG13 VAL 53 8.394 -20.988 -10.551 377 HG21 VAL 53 HG21 VAL 53 9.973 -22.096 -12.292 378 HG22 VAL 53 HG22 VAL 53 10.284 -21.025 -13.657 379 HG23 VAL 53 HG23 VAL 53 8.633 -21.276 -13.093 380 H PHE 54 HN PHE 54 11.469 -17.666 -10.969 381 HA PHE 54 HA PHE 54 9.653 -16.220 -9.350 382 HB2 PHE 54 HB2 PHE 54 12.534 -16.585 -9.531 383 HB3 PHE 54 HB1 PHE 54 12.102 -14.933 -9.090 384 HD1 PHE 54 HD1 PHE 54 11.432 -18.508 -8.235 385 HD2 PHE 54 HD2 PHE 54 11.366 -14.425 -6.903 386 HE1 PHE 54 HE1 PHE 54 10.892 -19.267 -5.937 387 HE2 PHE 54 HE2 PHE 54 10.827 -15.183 -4.604 388 HZ PHE 54 HZ PHE 54 10.589 -17.605 -4.122 389 H ARG 55 HN ARG 55 11.314 -15.473 -12.325 390 HA ARG 55 HA ARG 55 10.771 -12.625 -12.173 391 HB2 ARG 55 HB2 ARG 55 12.531 -14.261 -13.653 392 HB3 ARG 55 HB1 ARG 55 11.417 -13.564 -14.822 393 HG2 ARG 55 HG2 ARG 55 13.269 -12.031 -14.558 394 HG3 ARG 55 HG1 ARG 55 11.842 -11.309 -13.824 395 HD2 ARG 55 HD2 ARG 55 14.332 -11.694 -12.608 396 HD3 ARG 55 HD1 ARG 55 12.838 -11.219 -11.809 397 HE ARG 55 HE ARG 55 12.567 -13.879 -11.838 398 HH11 ARG 55 HH21 ARG 55 15.273 -11.856 -11.077 399 HH12 ARG 55 HH22 ARG 55 15.979 -12.988 -9.976 400 HH21 ARG 55 HH11 ARG 55 13.496 -15.367 -10.403 401 HH22 ARG 55 HH12 ARG 55 14.973 -14.974 -9.590 402 H LYS 56 HN LYS 56 9.044 -15.405 -13.029 403 HA LYS 56 HA LYS 56 7.304 -13.951 -14.899 404 HB2 LYS 56 HB2 LYS 56 6.929 -15.927 -15.916 405 HB3 LYS 56 HB1 LYS 56 8.307 -16.511 -14.987 406 HG2 LYS 56 HG2 LYS 56 6.687 -17.152 -13.148 407 HG3 LYS 56 HG1 LYS 56 5.370 -16.755 -14.257 408 HD2 LYS 56 HD2 LYS 56 7.188 -18.419 -15.679 409 HD3 LYS 56 HD1 LYS 56 6.903 -19.173 -14.111 410 HE2 LYS 56 HE2 LYS 56 4.730 -18.210 -15.993 411 HE3 LYS 56 HE1 LYS 56 5.229 -19.890 -15.798 412 HZ1 LYS 56 HZ1 LYS 56 4.771 -19.410 -13.309 413 HZ2 LYS 56 HZ2 LYS 56 3.473 -19.744 -14.351 414 HZ3 LYS 56 HZ3 LYS 56 3.816 -18.142 -13.904 415 H LYS 57 HN LYS 57 7.352 -15.460 -11.739 416 HA LYS 57 HA LYS 57 4.485 -15.033 -11.369 417 HB2 LYS 57 HB2 LYS 57 4.782 -16.169 -9.247 418 HB3 LYS 57 HB1 LYS 57 5.598 -17.094 -10.507 419 HG2 LYS 57 HG2 LYS 57 7.438 -17.005 -9.201 420 HG3 LYS 57 HG1 LYS 57 7.545 -15.304 -9.652 421 HD2 LYS 57 HD2 LYS 57 7.571 -15.351 -7.261 422 HD3 LYS 57 HD1 LYS 57 5.952 -14.824 -7.719 423 HE2 LYS 57 HE2 LYS 57 5.172 -16.508 -6.433 424 HE3 LYS 57 HE1 LYS 57 5.765 -17.607 -7.677 425 HZ1 LYS 57 HZ1 LYS 57 6.757 -17.159 -5.046 426 HZ2 LYS 57 HZ2 LYS 57 7.978 -16.938 -6.206 427 HZ3 LYS 57 HZ3 LYS 57 7.124 -18.406 -6.136 428 H GLY 58 HN GLY 58 7.391 -13.346 -10.928 429 HA2 GLY 58 HA2 GLY 58 6.432 -11.746 -8.681 430 HA3 GLY 58 HA1 GLY 58 8.002 -11.612 -9.467 431 H HIS 59 HN HIS 59 7.497 -11.172 -12.043 432 HA HIS 59 HA HIS 59 6.554 -8.484 -12.072 433 HB2 HIS 59 HB2 HIS 59 8.289 -9.872 -13.624 434 HB3 HIS 59 HB1 HIS 59 6.859 -9.882 -14.656 435 HD2 HIS 59 HD2 HIS 59 8.371 -6.909 -12.454 436 HE1 HIS 59 HE1 HIS 59 7.627 -5.520 -16.371 437 HE2 HIS 59 HE2 HIS 59 8.443 -4.852 -14.061 438 H HIS 60 HN HIS 60 4.778 -11.096 -11.707 439 HA HIS 60 HA HIS 60 2.867 -11.185 -13.732 440 HB2 HIS 60 HB2 HIS 60 3.198 -12.497 -11.388 441 HB3 HIS 60 HB1 HIS 60 1.851 -11.442 -10.964 442 HD2 HIS 60 HD2 HIS 60 0.513 -11.615 -14.119 443 HE1 HIS 60 HE1 HIS 60 0.038 -15.677 -13.074 444 HE2 HIS 60 HE2 HIS 60 -0.704 -13.855 -14.681 445 H HIS 61 HN HIS 61 3.019 -9.101 -10.860 446 HA HIS 61 HA HIS 61 1.259 -7.186 -12.210 447 HB2 HIS 61 HB2 HIS 61 0.722 -8.185 -9.401 448 HB3 HIS 61 HB1 HIS 61 -0.197 -6.955 -10.271 449 HD2 HIS 61 HD2 HIS 61 -0.518 -10.630 -9.635 450 HE1 HIS 61 HE1 HIS 61 -2.299 -10.066 -13.421 451 HE2 HIS 61 HE2 HIS 61 -2.019 -11.690 -11.489 452 H HIS 62 HN HIS 62 0.902 -5.566 -9.886 453 HA HIS 62 HA HIS 62 3.590 -4.411 -9.732 454 HB2 HIS 62 HB2 HIS 62 0.856 -3.361 -8.977 455 HB3 HIS 62 HB1 HIS 62 2.355 -2.483 -8.667 456 HD2 HIS 62 HD2 HIS 62 1.085 -4.281 -12.007 457 HE1 HIS 62 HE1 HIS 62 2.444 -0.391 -12.928 458 HE2 HIS 62 HE2 HIS 62 1.487 -2.532 -13.903 459 H HIS 63 HN HIS 63 0.913 -4.791 -7.397 460 HA HIS 63 HA HIS 63 2.899 -5.128 -5.259 461 HB2 HIS 63 HB2 HIS 63 1.080 -3.450 -4.976 462 HB3 HIS 63 HB1 HIS 63 -0.099 -4.761 -5.053 463 HD2 HIS 63 HD2 HIS 63 -0.453 -3.751 -2.203 464 HE1 HIS 63 HE1 HIS 63 2.756 -6.151 -0.875 465 HE2 HIS 63 HE2 HIS 63 0.749 -4.786 -0.129 466 H HIS 64 HN HIS 64 2.655 -7.283 -7.033 467 HA HIS 64 HA HIS 64 2.206 -9.542 -7.140 468 HB2 HIS 64 HB2 HIS 64 2.297 -9.425 -4.127 469 HB3 HIS 64 HB1 HIS 64 2.800 -10.745 -5.183 470 HD2 HIS 64 HD2 HIS 64 4.742 -9.003 -7.229 471 HE1 HIS 64 HE1 HIS 64 6.786 -7.882 -3.709 472 HE2 HIS 64 HE2 HIS 64 6.945 -8.008 -6.241 Start of MODEL 36 1 H1 MET 1 HT1 MET 1 37.942 -5.380 -22.049 2 H2 MET 1 HT2 MET 1 37.831 -4.843 -23.658 3 H3 MET 1 HT3 MET 1 37.177 -6.347 -23.214 4 HA MET 1 HA MET 1 35.661 -4.244 -23.489 5 HB2 MET 1 HB2 MET 1 35.493 -6.333 -21.299 6 HB3 MET 1 HB1 MET 1 34.154 -5.276 -21.750 7 HG2 MET 1 HG2 MET 1 33.661 -6.549 -23.543 8 HG3 MET 1 HG1 MET 1 35.333 -6.503 -24.101 9 HE1 MET 1 HE1 MET 1 33.236 -7.473 -21.305 10 HE2 MET 1 HE2 MET 1 33.842 -8.996 -20.661 11 HE3 MET 1 HE3 MET 1 32.705 -9.008 -22.007 12 H GLU 2 HN GLU 2 36.517 -5.070 -20.129 13 HA GLU 2 HA GLU 2 36.038 -2.343 -19.285 14 HB2 GLU 2 HB2 GLU 2 37.040 -4.758 -17.757 15 HB3 GLU 2 HB1 GLU 2 36.599 -3.211 -17.035 16 HG2 GLU 2 HG2 GLU 2 34.598 -4.497 -18.832 17 HG3 GLU 2 HG1 GLU 2 34.843 -5.223 -17.244 18 H GLU 3 HN GLU 3 37.840 -1.696 -20.892 19 HA GLU 3 HA GLU 3 39.903 -0.725 -21.171 20 HB2 GLU 3 HB2 GLU 3 39.288 -0.442 -18.443 21 HB3 GLU 3 HB1 GLU 3 40.957 -1.013 -18.497 22 HG2 GLU 3 HG2 GLU 3 41.513 0.773 -20.112 23 HG3 GLU 3 HG1 GLU 3 39.850 1.351 -20.040 24 H GLY 4 HN GLY 4 42.098 -1.285 -21.469 25 HA2 GLY 4 HA2 GLY 4 43.207 -3.703 -20.376 26 HA3 GLY 4 HA1 GLY 4 42.706 -3.892 -22.054 27 H GLY 5 HN GLY 5 45.309 -3.280 -20.202 28 HA2 GLY 5 HA2 GLY 5 46.714 -1.954 -22.414 29 HA3 GLY 5 HA1 GLY 5 46.813 -1.224 -20.814 30 H ASP 6 HN ASP 6 48.956 -1.563 -20.387 31 HA ASP 6 HA ASP 6 49.800 -3.960 -19.262 32 HB2 ASP 6 HB2 ASP 6 51.538 -4.488 -21.174 33 HB3 ASP 6 HB1 ASP 6 49.909 -5.158 -21.236 34 H PHE 7 HN PHE 7 50.329 -1.957 -17.996 35 HA PHE 7 HA PHE 7 52.710 -0.520 -18.903 36 HB2 PHE 7 HB2 PHE 7 50.894 0.758 -17.849 37 HB3 PHE 7 HB1 PHE 7 51.056 -0.212 -16.386 38 HD1 PHE 7 HD2 PHE 7 52.956 2.062 -18.661 39 HD2 PHE 7 HD1 PHE 7 52.644 0.350 -14.734 40 HE1 PHE 7 HE2 PHE 7 54.764 3.561 -17.865 41 HE2 PHE 7 HE1 PHE 7 54.452 1.850 -13.937 42 HZ PHE 7 HZ PHE 7 55.512 3.455 -15.502 43 H ASP 8 HN ASP 8 54.704 -1.102 -18.345 44 HA ASP 8 HA ASP 8 56.387 -2.401 -17.432 45 HB2 ASP 8 HB2 ASP 8 55.414 -0.574 -15.603 46 HB3 ASP 8 HB1 ASP 8 55.419 -2.083 -14.692 47 H ASN 9 HN ASN 9 53.720 -3.738 -17.959 48 HA ASN 9 HA ASN 9 52.980 -5.595 -16.068 49 HB2 ASN 9 HB2 ASN 9 52.969 -5.514 -19.029 50 HB3 ASN 9 HB1 ASN 9 52.803 -7.110 -18.299 51 HD21 ASN 9 HD21 ASN 9 51.610 -4.008 -16.953 52 HD22 ASN 9 HD22 ASN 9 49.971 -4.446 -16.997 53 H TYR 10 HN TYR 10 55.296 -6.314 -18.693 54 HA TYR 10 HA TYR 10 56.277 -8.653 -17.394 55 HB2 TYR 10 HB2 TYR 10 57.943 -7.311 -19.455 56 HB3 TYR 10 HB1 TYR 10 57.473 -9.005 -19.311 57 HD1 TYR 10 HD1 TYR 10 55.206 -9.748 -20.017 58 HD2 TYR 10 HD2 TYR 10 56.580 -5.728 -20.654 59 HE1 TYR 10 HE1 TYR 10 53.375 -9.381 -21.649 60 HE2 TYR 10 HE2 TYR 10 54.748 -5.362 -22.286 61 HH TYR 10 HH TYR 10 52.091 -7.294 -22.529 62 H TYR 11 HN TYR 11 56.421 -6.471 -15.625 63 HA TYR 11 HA TYR 11 59.118 -6.699 -14.737 64 HB2 TYR 11 HB2 TYR 11 58.852 -4.785 -16.675 65 HB3 TYR 11 HB1 TYR 11 58.594 -3.838 -15.213 66 HD1 TYR 11 HD1 TYR 11 60.285 -5.192 -13.238 67 HD2 TYR 11 HD2 TYR 11 61.045 -4.339 -17.379 68 HE1 TYR 11 HE1 TYR 11 62.725 -5.219 -12.795 69 HE2 TYR 11 HE2 TYR 11 63.485 -4.367 -16.936 70 HH TYR 11 HH TYR 11 65.059 -4.369 -15.321 71 H GLY 12 HN GLY 12 56.540 -7.169 -13.679 72 HA2 GLY 12 HA2 GLY 12 56.596 -6.530 -11.108 73 HA3 GLY 12 HA1 GLY 12 56.014 -5.010 -11.778 74 H ALA 13 HN ALA 13 55.204 -8.048 -13.264 75 HA ALA 13 HA ALA 13 52.395 -7.674 -12.423 76 HB1 ALA 13 HB1 ALA 13 52.579 -7.533 -14.803 77 HB2 ALA 13 HB2 ALA 13 51.909 -9.125 -14.444 78 HB3 ALA 13 HB3 ALA 13 53.613 -8.961 -14.871 79 H ASP 14 HN ASP 14 55.010 -10.014 -12.746 80 HA ASP 14 HA ASP 14 53.375 -12.150 -11.612 81 HB2 ASP 14 HB2 ASP 14 56.305 -12.476 -12.022 82 HB3 ASP 14 HB1 ASP 14 54.990 -13.604 -12.347 83 H ASN 15 HN ASN 15 55.770 -9.828 -10.648 84 HA ASN 15 HA ASN 15 56.858 -10.990 -8.373 85 HB2 ASN 15 HB2 ASN 15 57.013 -8.528 -9.555 86 HB3 ASN 15 HB1 ASN 15 56.139 -8.150 -8.071 87 HD21 ASN 15 HD21 ASN 15 59.104 -9.832 -9.226 88 HD22 ASN 15 HD22 ASN 15 59.993 -9.547 -7.808 89 H GLN 16 HN GLN 16 53.620 -10.129 -8.985 90 HA GLN 16 HA GLN 16 52.956 -10.029 -6.118 91 HB2 GLN 16 HB2 GLN 16 50.911 -9.031 -6.721 92 HB3 GLN 16 HB1 GLN 16 52.076 -8.315 -7.837 93 HG2 GLN 16 HG2 GLN 16 51.426 -10.380 -9.351 94 HG3 GLN 16 HG1 GLN 16 49.963 -10.375 -8.367 95 HE21 GLN 16 HE21 GLN 16 49.038 -7.958 -8.112 96 HE22 GLN 16 HE22 GLN 16 48.981 -7.072 -9.558 97 H SER 17 HN SER 17 53.015 -12.147 -8.771 98 HA SER 17 HA SER 17 50.910 -13.872 -7.663 99 HB2 SER 17 HB2 SER 17 50.829 -13.491 -10.074 100 HB3 SER 17 HB1 SER 17 52.488 -14.059 -10.239 101 HG SER 17 HG SER 17 50.306 -15.493 -10.315 102 H GLU 18 HN GLU 18 54.361 -13.615 -8.022 103 HA GLU 18 HA GLU 18 55.146 -16.274 -7.683 104 HB2 GLU 18 HB2 GLU 18 57.273 -15.448 -7.225 105 HB3 GLU 18 HB1 GLU 18 56.550 -14.108 -8.114 106 HG2 GLU 18 HG2 GLU 18 55.786 -13.271 -5.768 107 HG3 GLU 18 HG1 GLU 18 57.027 -14.362 -5.154 108 H CYS 19 HN CYS 19 53.294 -14.432 -5.624 109 HA CYS 19 HA CYS 19 54.265 -15.780 -3.192 110 HB2 CYS 19 HB2 CYS 19 53.999 -13.405 -2.914 111 HB3 CYS 19 HB1 CYS 19 52.376 -13.454 -3.601 112 HG CYS 19 HG CYS 19 52.406 -13.505 -0.879 113 H GLU 20 HN GLU 20 51.455 -15.434 -5.288 114 HA GLU 20 HA GLU 20 49.851 -17.208 -3.616 115 HB2 GLU 20 HB2 GLU 20 48.030 -16.587 -4.925 116 HB3 GLU 20 HB1 GLU 20 49.029 -15.136 -4.991 117 HG2 GLU 20 HG2 GLU 20 50.089 -16.244 -7.098 118 HG3 GLU 20 HG1 GLU 20 48.641 -17.250 -7.098 119 H TYR 21 HN TYR 21 51.829 -17.318 -6.470 120 HA TYR 21 HA TYR 21 50.874 -19.519 -7.835 121 HB2 TYR 21 HB2 TYR 21 52.693 -18.488 -8.858 122 HB3 TYR 21 HB1 TYR 21 53.635 -18.444 -7.367 123 HD1 TYR 21 HD1 TYR 21 54.742 -20.480 -6.511 124 HD2 TYR 21 HD2 TYR 21 52.626 -20.470 -10.248 125 HE1 TYR 21 HE1 TYR 21 55.828 -22.622 -7.131 126 HE2 TYR 21 HE2 TYR 21 53.712 -22.611 -10.870 127 HH TYR 21 HH TYR 21 55.341 -24.555 -8.651 128 H THR 22 HN THR 22 52.729 -19.412 -4.843 129 HA THR 22 HA THR 22 53.165 -22.251 -4.716 130 HB THR 22 HB THR 22 54.462 -20.300 -3.540 131 HG1 THR 22 HG1 THR 22 54.002 -22.897 -2.947 132 HG21 THR 22 HG21 THR 22 53.697 -19.636 -1.424 133 HG22 THR 22 HG22 THR 22 52.567 -20.985 -1.305 134 HG23 THR 22 HG23 THR 22 52.222 -19.637 -2.391 135 H ASP 23 HN ASP 23 50.547 -20.161 -3.994 136 HA ASP 23 HA ASP 23 49.304 -22.073 -2.151 137 HB2 ASP 23 HB2 ASP 23 49.264 -19.308 -2.289 138 HB3 ASP 23 HB1 ASP 23 47.696 -19.769 -2.949 139 H TRP 24 HN TRP 24 48.484 -20.373 -5.182 140 HA TRP 24 HA TRP 24 46.108 -21.572 -5.825 141 HB2 TRP 24 HB2 TRP 24 46.628 -20.072 -7.455 142 HB3 TRP 24 HB1 TRP 24 48.351 -20.443 -7.391 143 HD1 TRP 24 HD1 TRP 24 45.059 -21.806 -8.828 144 HE1 TRP 24 HE1 TRP 24 45.612 -23.320 -10.841 145 HE3 TRP 24 HE3 TRP 24 50.157 -21.832 -8.539 146 HZ2 TRP 24 HZ2 TRP 24 47.914 -24.399 -12.154 147 HZ3 TRP 24 HZ3 TRP 24 51.504 -23.109 -10.180 148 HH2 TRP 24 HH2 TRP 24 50.390 -24.392 -11.986 149 H LYS 25 HN LYS 25 49.348 -22.824 -6.643 150 HA LYS 25 HA LYS 25 48.639 -25.146 -7.954 151 HB2 LYS 25 HB2 LYS 25 50.969 -24.318 -7.646 152 HB3 LYS 25 HB1 LYS 25 50.911 -24.874 -5.974 153 HG2 LYS 25 HG2 LYS 25 50.528 -27.173 -6.716 154 HG3 LYS 25 HG1 LYS 25 50.482 -26.644 -8.398 155 HD2 LYS 25 HD2 LYS 25 52.816 -25.834 -8.196 156 HD3 LYS 25 HD1 LYS 25 52.861 -26.415 -6.530 157 HE2 LYS 25 HE2 LYS 25 52.196 -28.709 -7.502 158 HE3 LYS 25 HE1 LYS 25 52.642 -28.034 -9.070 159 HZ1 LYS 25 HZ1 LYS 25 54.778 -27.346 -7.758 160 HZ2 LYS 25 HZ2 LYS 25 54.624 -28.908 -8.407 161 HZ3 LYS 25 HZ3 LYS 25 54.334 -28.638 -6.754 162 H SER 26 HN SER 26 48.257 -24.359 -4.611 163 HA SER 26 HA SER 26 47.705 -27.163 -3.914 164 HB2 SER 26 HB2 SER 26 48.503 -24.746 -2.407 165 HB3 SER 26 HB1 SER 26 47.365 -25.814 -1.593 166 HG SER 26 HG SER 26 49.433 -26.527 -1.155 167 H SER 27 HN SER 27 46.226 -23.930 -3.738 168 HA SER 27 HA SER 27 43.646 -25.064 -3.013 169 HB2 SER 27 HB2 SER 27 44.803 -22.330 -3.236 170 HB3 SER 27 HB1 SER 27 43.062 -22.495 -3.442 171 HG SER 27 HG SER 27 44.159 -23.927 -1.350 172 H GLY 28 HN GLY 28 45.163 -25.299 -5.741 173 HA2 GLY 28 HA2 GLY 28 42.812 -24.637 -7.421 174 HA3 GLY 28 HA1 GLY 28 44.468 -24.451 -7.991 175 H ALA 29 HN ALA 29 43.264 -27.110 -6.012 176 HA ALA 29 HA ALA 29 43.293 -28.916 -8.321 177 HB1 ALA 29 HB1 ALA 29 45.059 -30.185 -7.662 178 HB2 ALA 29 HB2 ALA 29 44.714 -29.956 -5.947 179 HB3 ALA 29 HB3 ALA 29 45.563 -28.703 -6.851 180 H LEU 30 HN LEU 30 41.846 -27.823 -5.563 181 HA LEU 30 HA LEU 30 40.209 -30.260 -5.379 182 HB2 LEU 30 HB2 LEU 30 40.138 -29.931 -2.873 183 HB3 LEU 30 HB1 LEU 30 41.680 -30.502 -3.509 184 HG LEU 30 HG LEU 30 41.620 -27.616 -3.553 185 HD11 LEU 30 HD11 LEU 30 39.985 -27.911 -1.697 186 HD12 LEU 30 HD12 LEU 30 41.500 -27.200 -1.143 187 HD13 LEU 30 HD13 LEU 30 41.166 -28.905 -0.844 188 HD21 LEU 30 HD21 LEU 30 43.246 -29.646 -1.987 189 HD22 LEU 30 HD22 LEU 30 43.661 -27.941 -2.175 190 HD23 LEU 30 HD23 LEU 30 43.647 -29.006 -3.581 191 H ILE 31 HN ILE 31 40.574 -26.806 -4.804 192 HA ILE 31 HA ILE 31 37.843 -26.390 -4.036 193 HB ILE 31 HB ILE 31 39.545 -24.201 -5.157 194 HG12 ILE 31 HG12 ILE 31 40.006 -25.747 -2.602 195 HG13 ILE 31 HG11 ILE 31 41.184 -25.321 -3.842 196 HG21 ILE 31 HG21 ILE 31 37.118 -24.151 -4.065 197 HG22 ILE 31 HG22 ILE 31 38.281 -22.861 -3.759 198 HG23 ILE 31 HG23 ILE 31 38.052 -24.142 -2.568 199 HD11 ILE 31 HD11 ILE 31 39.893 -23.531 -1.788 200 HD12 ILE 31 HD12 ILE 31 40.610 -22.864 -3.255 201 HD13 ILE 31 HD13 ILE 31 41.608 -23.769 -2.116 202 HA PRO 32 HA PRO 32 37.670 -24.889 -8.705 203 HB2 PRO 32 HB2 PRO 32 39.210 -27.096 -9.940 204 HB3 PRO 32 HB1 PRO 32 39.236 -25.362 -10.304 205 HG2 PRO 32 HG2 PRO 32 41.255 -26.587 -9.042 206 HG3 PRO 32 HG1 PRO 32 40.797 -24.910 -8.697 207 HD2 PRO 32 HD2 PRO 32 40.262 -27.380 -7.096 208 HD3 PRO 32 HD1 PRO 32 40.610 -25.729 -6.540 209 H ALA 33 HN ALA 33 37.719 -28.136 -7.454 210 HA ALA 33 HA ALA 33 36.057 -29.437 -9.303 211 HB1 ALA 33 HB1 ALA 33 35.475 -30.417 -6.695 212 HB2 ALA 33 HB2 ALA 33 37.187 -30.000 -6.741 213 HB3 ALA 33 HB3 ALA 33 36.524 -31.132 -7.918 214 H ILE 34 HN ILE 34 35.022 -28.367 -6.056 215 HA ILE 34 HA ILE 34 32.276 -28.479 -6.600 216 HB ILE 34 HB ILE 34 33.925 -27.014 -4.560 217 HG12 ILE 34 HG12 ILE 34 31.703 -29.053 -4.259 218 HG13 ILE 34 HG11 ILE 34 33.396 -29.506 -4.463 219 HG21 ILE 34 HG21 ILE 34 31.580 -26.506 -3.536 220 HG22 ILE 34 HG22 ILE 34 30.997 -26.685 -5.190 221 HG23 ILE 34 HG23 ILE 34 32.189 -25.444 -4.805 222 HD11 ILE 34 HD11 ILE 34 32.846 -27.462 -2.386 223 HD12 ILE 34 HD12 ILE 34 33.974 -28.817 -2.361 224 HD13 ILE 34 HD13 ILE 34 32.261 -29.088 -2.039 225 H TYR 35 HN TYR 35 34.513 -25.715 -6.706 226 HA TYR 35 HA TYR 35 32.891 -23.618 -7.282 227 HB2 TYR 35 HB2 TYR 35 35.630 -24.259 -7.733 228 HB3 TYR 35 HB1 TYR 35 34.999 -23.513 -9.201 229 HD1 TYR 35 HD2 TYR 35 33.797 -21.293 -9.044 230 HD2 TYR 35 HD1 TYR 35 35.993 -22.976 -5.759 231 HE1 TYR 35 HE2 TYR 35 33.864 -19.068 -7.949 232 HE2 TYR 35 HE1 TYR 35 36.059 -20.752 -4.663 233 HH TYR 35 HH TYR 35 35.531 -18.607 -4.828 234 H MET 36 HN MET 36 34.017 -26.037 -9.636 235 HA MET 36 HA MET 36 32.773 -24.969 -11.904 236 HB2 MET 36 HB2 MET 36 33.872 -27.596 -11.113 237 HB3 MET 36 HB1 MET 36 32.686 -27.631 -12.416 238 HG2 MET 36 HG2 MET 36 35.112 -27.325 -13.140 239 HG3 MET 36 HG1 MET 36 33.974 -26.126 -13.755 240 HE1 MET 36 HE1 MET 36 35.567 -24.198 -14.272 241 HE2 MET 36 HE2 MET 36 35.529 -22.976 -13.004 242 HE3 MET 36 HE3 MET 36 34.043 -23.799 -13.469 243 H LEU 37 HN LEU 37 31.572 -27.578 -9.765 244 HA LEU 37 HA LEU 37 29.054 -27.787 -11.002 245 HB2 LEU 37 HB2 LEU 37 30.365 -29.075 -8.911 246 HB3 LEU 37 HB1 LEU 37 28.961 -28.330 -8.146 247 HG LEU 37 HG LEU 37 27.561 -29.303 -10.048 248 HD11 LEU 37 HD11 LEU 37 28.545 -30.510 -11.686 249 HD12 LEU 37 HD12 LEU 37 29.483 -31.448 -10.524 250 HD13 LEU 37 HD13 LEU 37 30.086 -29.891 -11.090 251 HD21 LEU 37 HD21 LEU 37 28.164 -31.774 -9.019 252 HD22 LEU 37 HD22 LEU 37 27.145 -30.584 -8.209 253 HD23 LEU 37 HD23 LEU 37 28.854 -30.709 -7.793 254 H VAL 38 HN VAL 38 30.225 -25.709 -8.396 255 HA VAL 38 HA VAL 38 27.598 -24.627 -7.855 256 HB VAL 38 HB VAL 38 30.383 -23.946 -6.920 257 HG11 VAL 38 HG11 VAL 38 29.109 -22.340 -5.354 258 HG12 VAL 38 HG12 VAL 38 27.798 -22.431 -6.529 259 HG13 VAL 38 HG13 VAL 38 29.373 -21.798 -7.011 260 HG21 VAL 38 HG21 VAL 38 27.938 -24.677 -5.307 261 HG22 VAL 38 HG22 VAL 38 29.635 -24.811 -4.846 262 HG23 VAL 38 HG23 VAL 38 28.954 -25.917 -6.040 263 H PHE 39 HN PHE 39 29.878 -24.197 -10.273 264 HA PHE 39 HA PHE 39 29.143 -21.390 -10.744 265 HB2 PHE 39 HB2 PHE 39 31.505 -21.776 -10.892 266 HB3 PHE 39 HB1 PHE 39 31.269 -23.168 -11.950 267 HD1 PHE 39 HD1 PHE 39 30.715 -19.480 -11.726 268 HD2 PHE 39 HD2 PHE 39 31.137 -22.898 -14.292 269 HE1 PHE 39 HE1 PHE 39 30.767 -17.987 -13.705 270 HE2 PHE 39 HE2 PHE 39 31.189 -21.405 -16.272 271 HZ PHE 39 HZ PHE 39 31.005 -18.949 -15.978 272 H LEU 40 HN LEU 40 29.364 -24.464 -12.549 273 HA LEU 40 HA LEU 40 27.636 -23.411 -14.639 274 HB2 LEU 40 HB2 LEU 40 28.082 -25.474 -15.803 275 HB3 LEU 40 HB1 LEU 40 29.605 -24.879 -15.142 276 HG LEU 40 HG LEU 40 28.617 -26.423 -13.072 277 HD11 LEU 40 HD11 LEU 40 27.785 -28.470 -13.969 278 HD12 LEU 40 HD12 LEU 40 28.180 -27.992 -15.620 279 HD13 LEU 40 HD13 LEU 40 26.857 -27.199 -14.765 280 HD21 LEU 40 HD21 LEU 40 30.453 -27.231 -15.350 281 HD22 LEU 40 HD22 LEU 40 30.364 -28.038 -13.785 282 HD23 LEU 40 HD23 LEU 40 30.936 -26.373 -13.887 283 H LEU 41 HN LEU 41 27.394 -25.321 -11.780 284 HA LEU 41 HA LEU 41 24.612 -26.056 -12.467 285 HB2 LEU 41 HB2 LEU 41 26.776 -27.630 -11.478 286 HB3 LEU 41 HB1 LEU 41 25.549 -27.536 -10.215 287 HG LEU 41 HG LEU 41 25.019 -28.276 -13.097 288 HD11 LEU 41 HD11 LEU 41 25.368 -29.941 -10.597 289 HD12 LEU 41 HD12 LEU 41 26.260 -30.070 -12.112 290 HD13 LEU 41 HD13 LEU 41 24.567 -30.554 -12.043 291 HD21 LEU 41 HD21 LEU 41 22.998 -29.147 -11.287 292 HD22 LEU 41 HD22 LEU 41 22.854 -27.940 -12.565 293 HD23 LEU 41 HD23 LEU 41 23.318 -27.449 -10.937 294 H GLY 42 HN GLY 42 25.800 -23.565 -11.264 295 HA2 GLY 42 HA2 GLY 42 23.888 -23.347 -9.068 296 HA3 GLY 42 HA1 GLY 42 25.576 -23.083 -8.650 297 H THR 43 HN THR 43 26.231 -21.848 -11.232 298 HA THR 43 HA THR 43 24.820 -19.265 -10.889 299 HB THR 43 HB THR 43 27.649 -19.540 -11.888 300 HG1 THR 43 HG1 THR 43 26.955 -20.312 -9.578 301 HG21 THR 43 HG21 THR 43 26.721 -17.220 -10.311 302 HG22 THR 43 HG22 THR 43 25.923 -17.428 -11.870 303 HG23 THR 43 HG23 THR 43 27.678 -17.266 -11.792 304 H THR 44 HN THR 44 24.024 -21.386 -12.682 305 HA THR 44 HA THR 44 24.253 -19.900 -15.209 306 HB THR 44 HB THR 44 24.659 -22.887 -14.943 307 HG1 THR 44 HG1 THR 44 26.324 -20.750 -14.956 308 HG21 THR 44 HG21 THR 44 23.855 -22.905 -17.054 309 HG22 THR 44 HG22 THR 44 25.349 -22.083 -17.504 310 HG23 THR 44 HG23 THR 44 23.894 -21.145 -17.166 311 H GLY 45 HN GLY 45 22.786 -22.865 -13.863 312 HA2 GLY 45 HA2 GLY 45 20.320 -22.358 -15.323 313 HA3 GLY 45 HA1 GLY 45 20.675 -23.762 -14.322 314 H ASN 46 HN ASN 46 21.646 -21.619 -12.271 315 HA ASN 46 HA ASN 46 19.287 -21.640 -10.683 316 HB2 ASN 46 HB2 ASN 46 21.896 -20.139 -10.424 317 HB3 ASN 46 HB1 ASN 46 20.616 -20.078 -9.213 318 HD21 ASN 46 HD21 ASN 46 21.295 -23.023 -11.067 319 HD22 ASN 46 HD22 ASN 46 21.910 -23.909 -9.757 320 H GLY 47 HN GLY 47 21.055 -18.936 -12.210 321 HA2 GLY 47 HA2 GLY 47 19.183 -16.932 -11.623 322 HA3 GLY 47 HA1 GLY 47 20.338 -16.880 -12.952 323 H LEU 48 HN LEU 48 19.576 -18.850 -14.613 324 HA LEU 48 HA LEU 48 17.497 -17.797 -16.095 325 HB2 LEU 48 HB2 LEU 48 19.175 -19.581 -16.801 326 HB3 LEU 48 HB1 LEU 48 18.115 -20.751 -16.014 327 HG LEU 48 HG LEU 48 16.243 -19.562 -17.451 328 HD11 LEU 48 HD11 LEU 48 18.407 -19.281 -19.474 329 HD12 LEU 48 HD12 LEU 48 18.288 -18.000 -18.269 330 HD13 LEU 48 HD13 LEU 48 16.907 -18.372 -19.297 331 HD21 LEU 48 HD21 LEU 48 17.062 -21.139 -19.417 332 HD22 LEU 48 HD22 LEU 48 16.533 -21.828 -17.882 333 HD23 LEU 48 HD23 LEU 48 18.254 -21.648 -18.221 334 H VAL 49 HN VAL 49 17.361 -20.416 -13.699 335 HA VAL 49 HA VAL 49 14.610 -20.968 -13.945 336 HB VAL 49 HB VAL 49 16.669 -21.423 -11.808 337 HG11 VAL 49 HG11 VAL 49 14.747 -22.767 -10.681 338 HG12 VAL 49 HG12 VAL 49 13.676 -21.692 -11.576 339 HG13 VAL 49 HG13 VAL 49 14.817 -21.026 -10.409 340 HG21 VAL 49 HG21 VAL 49 14.865 -23.491 -13.004 341 HG22 VAL 49 HG22 VAL 49 16.555 -23.625 -12.519 342 HG23 VAL 49 HG23 VAL 49 16.132 -22.807 -14.022 343 H LEU 50 HN LEU 50 16.298 -19.081 -11.418 344 HA LEU 50 HA LEU 50 13.977 -18.051 -10.210 345 HB2 LEU 50 HB2 LEU 50 16.737 -16.815 -10.378 346 HB3 LEU 50 HB1 LEU 50 15.476 -16.347 -9.240 347 HG LEU 50 HG LEU 50 16.699 -19.119 -9.434 348 HD11 LEU 50 HD11 LEU 50 17.911 -18.590 -7.436 349 HD12 LEU 50 HD12 LEU 50 17.041 -17.070 -7.233 350 HD13 LEU 50 HD13 LEU 50 18.194 -17.256 -8.554 351 HD21 LEU 50 HD21 LEU 50 14.488 -17.899 -7.819 352 HD22 LEU 50 HD22 LEU 50 15.520 -19.101 -7.046 353 HD23 LEU 50 HD23 LEU 50 14.616 -19.521 -8.499 354 H TRP 51 HN TRP 51 15.288 -17.421 -13.243 355 HA TRP 51 HA TRP 51 14.140 -14.718 -13.385 356 HB2 TRP 51 HB2 TRP 51 16.287 -14.706 -14.312 357 HB3 TRP 51 HB1 TRP 51 16.054 -16.269 -15.094 358 HD1 TRP 51 HD1 TRP 51 14.925 -12.614 -15.350 359 HE1 TRP 51 HE1 TRP 51 14.145 -12.178 -17.774 360 HE3 TRP 51 HE3 TRP 51 15.236 -17.340 -17.243 361 HZ2 TRP 51 HZ2 TRP 51 13.727 -13.639 -20.197 362 HZ3 TRP 51 HZ3 TRP 51 14.643 -17.794 -19.611 363 HH2 TRP 51 HH2 TRP 51 13.885 -15.949 -21.084 364 H THR 52 HN THR 52 13.861 -17.944 -14.779 365 HA THR 52 HA THR 52 11.747 -17.147 -16.590 366 HB THR 52 HB THR 52 12.803 -19.875 -15.822 367 HG1 THR 52 HG1 THR 52 13.818 -19.719 -17.815 368 HG21 THR 52 HG21 THR 52 10.683 -20.382 -16.612 369 HG22 THR 52 HG22 THR 52 11.580 -20.329 -18.129 370 HG23 THR 52 HG23 THR 52 10.609 -18.943 -17.630 371 H VAL 53 HN VAL 53 12.061 -18.921 -13.550 372 HA VAL 53 HA VAL 53 9.323 -19.588 -13.265 373 HB VAL 53 HB VAL 53 11.590 -19.330 -11.278 374 HG11 VAL 53 HG11 VAL 53 8.687 -20.076 -10.890 375 HG12 VAL 53 HG12 VAL 53 9.663 -18.944 -9.953 376 HG13 VAL 53 HG13 VAL 53 9.945 -20.679 -9.810 377 HG21 VAL 53 HG21 VAL 53 11.353 -21.822 -11.275 378 HG22 VAL 53 HG22 VAL 53 11.781 -21.185 -12.863 379 HG23 VAL 53 HG23 VAL 53 10.122 -21.678 -12.530 380 H PHE 54 HN PHE 54 11.258 -16.798 -12.431 381 HA PHE 54 HA PHE 54 9.531 -15.501 -10.649 382 HB2 PHE 54 HB2 PHE 54 11.828 -14.787 -12.331 383 HB3 PHE 54 HB1 PHE 54 10.703 -13.452 -12.074 384 HD1 PHE 54 HD2 PHE 54 11.659 -16.327 -9.867 385 HD2 PHE 54 HD1 PHE 54 11.609 -12.066 -10.409 386 HE1 PHE 54 HE2 PHE 54 12.536 -16.024 -7.566 387 HE2 PHE 54 HE1 PHE 54 12.485 -11.763 -8.109 388 HZ PHE 54 HZ PHE 54 12.948 -13.742 -6.688 389 H ARG 55 HN ARG 55 9.320 -15.978 -14.065 390 HA ARG 55 HA ARG 55 7.278 -13.900 -14.366 391 HB2 ARG 55 HB2 ARG 55 8.500 -15.781 -16.397 392 HB3 ARG 55 HB1 ARG 55 7.369 -14.476 -16.758 393 HG2 ARG 55 HG2 ARG 55 8.927 -12.818 -16.334 394 HG3 ARG 55 HG1 ARG 55 9.836 -13.815 -15.198 395 HD2 ARG 55 HD2 ARG 55 10.898 -15.018 -16.918 396 HD3 ARG 55 HD1 ARG 55 9.703 -14.534 -18.114 397 HE ARG 55 HE ARG 55 11.307 -12.394 -16.963 398 HH11 ARG 55 HH21 ARG 55 10.828 -14.692 -19.507 399 HH12 ARG 55 HH22 ARG 55 11.763 -13.809 -20.663 400 HH21 ARG 55 HH11 ARG 55 12.529 -11.227 -18.482 401 HH22 ARG 55 HH12 ARG 55 12.730 -11.852 -20.086 402 H LYS 56 HN LYS 56 7.573 -17.317 -13.927 403 HA LYS 56 HA LYS 56 4.844 -17.822 -14.853 404 HB2 LYS 56 HB2 LYS 56 5.438 -20.007 -15.031 405 HB3 LYS 56 HB1 LYS 56 7.072 -19.349 -15.007 406 HG2 LYS 56 HG2 LYS 56 7.010 -19.615 -12.467 407 HG3 LYS 56 HG1 LYS 56 5.525 -20.540 -12.684 408 HD2 LYS 56 HD2 LYS 56 8.017 -21.277 -14.217 409 HD3 LYS 56 HD1 LYS 56 7.774 -21.837 -12.565 410 HE2 LYS 56 HE2 LYS 56 5.592 -22.813 -13.232 411 HE3 LYS 56 HE1 LYS 56 5.885 -22.297 -14.893 412 HZ1 LYS 56 HZ1 LYS 56 6.512 -24.619 -14.491 413 HZ2 LYS 56 HZ2 LYS 56 7.656 -24.107 -13.345 414 HZ3 LYS 56 HZ3 LYS 56 7.833 -23.674 -14.977 415 H LYS 57 HN LYS 57 6.651 -17.379 -11.920 416 HA LYS 57 HA LYS 57 4.311 -18.155 -10.302 417 HB2 LYS 57 HB2 LYS 57 6.756 -19.013 -9.890 418 HB3 LYS 57 HB1 LYS 57 6.979 -17.433 -9.138 419 HG2 LYS 57 HG2 LYS 57 4.653 -18.098 -7.979 420 HG3 LYS 57 HG1 LYS 57 5.279 -19.723 -8.269 421 HD2 LYS 57 HD2 LYS 57 7.485 -18.823 -7.236 422 HD3 LYS 57 HD1 LYS 57 6.481 -17.516 -6.608 423 HE2 LYS 57 HE2 LYS 57 6.045 -20.479 -6.134 424 HE3 LYS 57 HE1 LYS 57 6.641 -19.317 -4.949 425 HZ1 LYS 57 HZ1 LYS 57 4.593 -18.580 -4.550 426 HZ2 LYS 57 HZ2 LYS 57 4.038 -19.969 -5.359 427 HZ3 LYS 57 HZ3 LYS 57 4.191 -18.499 -6.197 428 H GLY 58 HN GLY 58 5.811 -15.478 -11.646 429 HA2 GLY 58 HA2 GLY 58 5.168 -13.625 -9.487 430 HA3 GLY 58 HA1 GLY 58 5.924 -13.219 -11.025 431 H HIS 59 HN HIS 59 3.916 -14.638 -12.610 432 HA HIS 59 HA HIS 59 2.145 -12.563 -13.167 433 HB2 HIS 59 HB2 HIS 59 2.501 -15.328 -13.992 434 HB3 HIS 59 HB1 HIS 59 0.797 -14.878 -13.932 435 HD2 HIS 59 HD2 HIS 59 3.624 -14.600 -16.399 436 HE1 HIS 59 HE1 HIS 59 1.079 -11.357 -17.313 437 HE2 HIS 59 HE2 HIS 59 3.040 -12.743 -18.139 438 H HIS 60 HN HIS 60 1.536 -15.546 -11.308 439 HA HIS 60 HA HIS 60 -1.100 -14.701 -10.522 440 HB2 HIS 60 HB2 HIS 60 0.641 -16.922 -9.425 441 HB3 HIS 60 HB1 HIS 60 -1.084 -16.715 -9.124 442 HD2 HIS 60 HD2 HIS 60 -2.732 -17.074 -11.514 443 HE1 HIS 60 HE1 HIS 60 0.292 -19.107 -13.648 444 HE2 HIS 60 HE2 HIS 60 -2.181 -18.530 -13.610 445 H HIS 61 HN HIS 61 0.167 -12.564 -9.822 446 HA HIS 61 HA HIS 61 1.467 -12.568 -7.294 447 HB2 HIS 61 HB2 HIS 61 1.624 -10.741 -9.011 448 HB3 HIS 61 HB1 HIS 61 -0.023 -10.274 -8.586 449 HD2 HIS 61 HD2 HIS 61 3.365 -10.754 -6.517 450 HE1 HIS 61 HE1 HIS 61 1.125 -7.594 -4.837 451 HE2 HIS 61 HE2 HIS 61 3.292 -8.908 -4.673 452 H HIS 62 HN HIS 62 -1.888 -12.066 -8.307 453 HA HIS 62 HA HIS 62 -2.898 -12.901 -5.764 454 HB2 HIS 62 HB2 HIS 62 -2.118 -10.337 -5.643 455 HB3 HIS 62 HB1 HIS 62 -3.728 -10.104 -6.324 456 HD2 HIS 62 HD2 HIS 62 -2.084 -11.147 -2.948 457 HE1 HIS 62 HE1 HIS 62 -6.269 -11.394 -2.450 458 HE2 HIS 62 HE2 HIS 62 -4.036 -11.480 -1.245 459 H HIS 63 HN HIS 63 -3.966 -10.591 -8.269 460 HA HIS 63 HA HIS 63 -6.383 -12.231 -8.649 461 HB2 HIS 63 HB2 HIS 63 -5.716 -9.360 -9.295 462 HB3 HIS 63 HB1 HIS 63 -7.143 -10.163 -9.950 463 HD2 HIS 63 HD2 HIS 63 -6.500 -7.989 -7.039 464 HE1 HIS 63 HE1 HIS 63 -9.293 -10.787 -5.557 465 HE2 HIS 63 HE2 HIS 63 -8.175 -8.550 -5.116 466 H HIS 64 HN HIS 64 -4.031 -13.278 -9.720 467 HA HIS 64 HA HIS 64 -3.063 -14.017 -11.677 468 HB2 HIS 64 HB2 HIS 64 -5.828 -13.584 -12.822 469 HB3 HIS 64 HB1 HIS 64 -4.616 -14.752 -13.349 470 HD2 HIS 64 HD2 HIS 64 -7.434 -16.027 -12.295 471 HE1 HIS 64 HE1 HIS 64 -5.357 -16.874 -8.718 472 HE2 HIS 64 HE2 HIS 64 -7.421 -17.426 -10.091 Start of MODEL 37 1 H1 MET 1 HT1 MET 1 15.942 -32.163 -19.040 2 H2 MET 1 HT2 MET 1 17.635 -32.018 -19.028 3 H3 MET 1 HT3 MET 1 16.661 -30.674 -18.660 4 HA MET 1 HA MET 1 15.825 -31.840 -16.682 5 HB2 MET 1 HB2 MET 1 16.706 -34.084 -17.915 6 HB3 MET 1 HB1 MET 1 18.076 -33.770 -16.849 7 HG2 MET 1 HG2 MET 1 16.523 -33.624 -14.920 8 HG3 MET 1 HG1 MET 1 15.174 -33.994 -15.995 9 HE1 MET 1 HE1 MET 1 15.941 -37.134 -13.676 10 HE2 MET 1 HE2 MET 1 14.943 -35.698 -13.892 11 HE3 MET 1 HE3 MET 1 16.584 -35.536 -13.272 12 H GLU 2 HN GLU 2 16.543 -30.366 -15.283 13 HA GLU 2 HA GLU 2 17.948 -28.889 -14.205 14 HB2 GLU 2 HB2 GLU 2 19.334 -31.542 -14.143 15 HB3 GLU 2 HB1 GLU 2 20.164 -30.124 -13.502 16 HG2 GLU 2 HG2 GLU 2 18.493 -29.739 -11.872 17 HG3 GLU 2 HG1 GLU 2 17.335 -30.784 -12.693 18 H GLU 3 HN GLU 3 18.183 -27.582 -16.149 19 HA GLU 3 HA GLU 3 20.861 -26.943 -16.723 20 HB2 GLU 3 HB2 GLU 3 19.852 -29.117 -18.272 21 HB3 GLU 3 HB1 GLU 3 20.032 -27.720 -19.334 22 HG2 GLU 3 HG2 GLU 3 22.350 -27.405 -18.477 23 HG3 GLU 3 HG1 GLU 3 22.164 -28.865 -17.507 24 H GLY 4 HN GLY 4 21.004 -25.358 -18.597 25 HA2 GLY 4 HA2 GLY 4 18.694 -24.171 -19.711 26 HA3 GLY 4 HA1 GLY 4 19.150 -23.289 -18.257 27 H GLY 5 HN GLY 5 20.113 -21.465 -18.903 28 HA2 GLY 5 HA2 GLY 5 22.059 -21.582 -21.121 29 HA3 GLY 5 HA1 GLY 5 21.217 -20.132 -20.586 30 H ASP 6 HN ASP 6 22.565 -18.749 -19.640 31 HA ASP 6 HA ASP 6 24.087 -19.417 -17.340 32 HB2 ASP 6 HB2 ASP 6 26.340 -18.834 -18.451 33 HB3 ASP 6 HB1 ASP 6 25.701 -20.458 -18.697 34 H PHE 7 HN PHE 7 22.459 -17.537 -17.156 35 HA PHE 7 HA PHE 7 23.992 -15.041 -17.429 36 HB2 PHE 7 HB2 PHE 7 21.049 -15.184 -18.090 37 HB3 PHE 7 HB1 PHE 7 22.152 -13.830 -18.341 38 HD1 PHE 7 HD2 PHE 7 23.875 -13.915 -20.111 39 HD2 PHE 7 HD1 PHE 7 21.011 -17.076 -19.602 40 HE1 PHE 7 HE2 PHE 7 24.437 -14.788 -22.364 41 HE2 PHE 7 HE1 PHE 7 21.573 -17.948 -21.854 42 HZ PHE 7 HZ PHE 7 23.286 -16.804 -23.235 43 H ASP 8 HN ASP 8 24.187 -15.923 -15.092 44 HA ASP 8 HA ASP 8 22.407 -14.337 -13.452 45 HB2 ASP 8 HB2 ASP 8 21.795 -17.070 -13.851 46 HB3 ASP 8 HB1 ASP 8 22.465 -16.934 -12.226 47 H ASN 9 HN ASN 9 25.338 -14.862 -14.188 48 HA ASN 9 HA ASN 9 26.702 -15.840 -11.928 49 HB2 ASN 9 HB2 ASN 9 27.838 -15.573 -14.055 50 HB3 ASN 9 HB1 ASN 9 27.565 -13.832 -14.019 51 HD21 ASN 9 HD21 ASN 9 28.589 -15.931 -11.293 52 HD22 ASN 9 HD22 ASN 9 30.075 -15.147 -11.051 53 H TYR 10 HN TYR 10 26.571 -12.418 -12.935 54 HA TYR 10 HA TYR 10 27.216 -11.484 -10.322 55 HB2 TYR 10 HB2 TYR 10 26.504 -9.234 -11.369 56 HB3 TYR 10 HB1 TYR 10 27.894 -10.064 -12.066 57 HD1 TYR 10 HD2 TYR 10 24.319 -9.247 -12.521 58 HD2 TYR 10 HD1 TYR 10 27.789 -11.088 -14.260 59 HE1 TYR 10 HE2 TYR 10 23.173 -9.331 -14.718 60 HE2 TYR 10 HE1 TYR 10 26.643 -11.170 -16.458 61 HH TYR 10 HH TYR 10 24.839 -10.571 -17.613 62 H TYR 11 HN TYR 11 24.982 -13.189 -10.196 63 HA TYR 11 HA TYR 11 23.186 -11.581 -8.669 64 HB2 TYR 11 HB2 TYR 11 22.585 -11.349 -11.266 65 HB3 TYR 11 HB1 TYR 11 21.743 -12.863 -10.935 66 HD1 TYR 11 HD1 TYR 11 22.100 -9.331 -9.795 67 HD2 TYR 11 HD2 TYR 11 19.700 -12.894 -9.727 68 HE1 TYR 11 HE1 TYR 11 20.259 -8.072 -8.709 69 HE2 TYR 11 HE2 TYR 11 17.861 -11.635 -8.641 70 HH TYR 11 HH TYR 11 17.160 -9.086 -8.590 71 H GLY 12 HN GLY 12 24.754 -13.860 -8.179 72 HA2 GLY 12 HA2 GLY 12 23.314 -15.479 -6.612 73 HA3 GLY 12 HA1 GLY 12 22.988 -16.177 -8.196 74 H ALA 13 HN ALA 13 26.030 -14.654 -7.363 75 HA ALA 13 HA ALA 13 27.327 -17.310 -7.254 76 HB1 ALA 13 HB1 ALA 13 29.229 -16.301 -8.528 77 HB2 ALA 13 HB2 ALA 13 28.234 -14.870 -8.796 78 HB3 ALA 13 HB3 ALA 13 27.741 -16.424 -9.466 79 H ASP 14 HN ASP 14 27.208 -13.985 -6.202 80 HA ASP 14 HA ASP 14 29.609 -14.200 -4.584 81 HB2 ASP 14 HB2 ASP 14 28.943 -11.925 -3.802 82 HB3 ASP 14 HB1 ASP 14 29.092 -12.042 -5.554 83 H ASN 15 HN ASN 15 26.110 -14.255 -4.139 84 HA ASN 15 HA ASN 15 25.915 -14.084 -1.382 85 HB2 ASN 15 HB2 ASN 15 23.842 -14.153 -2.373 86 HB3 ASN 15 HB1 ASN 15 24.311 -15.412 -3.515 87 HD21 ASN 15 HD21 ASN 15 23.135 -17.276 -3.077 88 HD22 ASN 15 HD22 ASN 15 22.784 -17.863 -1.523 89 H GLN 16 HN GLN 16 26.879 -16.814 -3.381 90 HA GLN 16 HA GLN 16 27.103 -18.533 -1.012 91 HB2 GLN 16 HB2 GLN 16 27.514 -20.341 -2.605 92 HB3 GLN 16 HB1 GLN 16 26.049 -19.463 -3.049 93 HG2 GLN 16 HG2 GLN 16 27.507 -18.066 -4.602 94 HG3 GLN 16 HG1 GLN 16 28.790 -19.238 -4.308 95 HE21 GLN 16 HE21 GLN 16 26.574 -21.400 -4.072 96 HE22 GLN 16 HE22 GLN 16 26.194 -21.751 -5.688 97 H SER 17 HN SER 17 28.924 -16.212 -2.288 98 HA SER 17 HA SER 17 31.474 -17.678 -2.108 99 HB2 SER 17 HB2 SER 17 30.859 -16.123 -4.089 100 HB3 SER 17 HB1 SER 17 31.190 -14.810 -2.963 101 HG SER 17 HG SER 17 32.970 -15.827 -4.349 102 H GLU 18 HN GLU 18 29.852 -14.742 -0.908 103 HA GLU 18 HA GLU 18 31.685 -13.619 0.734 104 HB2 GLU 18 HB2 GLU 18 28.763 -14.151 1.263 105 HB3 GLU 18 HB1 GLU 18 29.759 -13.177 2.346 106 HG2 GLU 18 HG2 GLU 18 30.358 -11.707 0.438 107 HG3 GLU 18 HG1 GLU 18 29.294 -12.653 -0.602 108 H CYS 19 HN CYS 19 29.542 -16.265 1.800 109 HA CYS 19 HA CYS 19 30.706 -16.704 4.294 110 HB2 CYS 19 HB2 CYS 19 29.348 -18.633 2.402 111 HB3 CYS 19 HB1 CYS 19 29.782 -19.034 4.064 112 HG CYS 19 HG CYS 19 27.435 -17.275 3.220 113 H GLU 20 HN GLU 20 31.764 -17.663 1.109 114 HA GLU 20 HA GLU 20 33.989 -19.205 2.300 115 HB2 GLU 20 HB2 GLU 20 33.240 -19.273 -0.611 116 HB3 GLU 20 HB1 GLU 20 34.094 -20.486 0.343 117 HG2 GLU 20 HG2 GLU 20 31.165 -19.743 0.581 118 HG3 GLU 20 HG1 GLU 20 31.815 -21.249 -0.062 119 H TYR 21 HN TYR 21 33.566 -16.176 1.671 120 HA TYR 21 HA TYR 21 35.606 -15.612 -0.290 121 HB2 TYR 21 HB2 TYR 21 33.841 -14.013 -0.082 122 HB3 TYR 21 HB1 TYR 21 34.087 -13.874 1.659 123 HD1 TYR 21 HD2 TYR 21 36.082 -12.729 2.566 124 HD2 TYR 21 HD1 TYR 21 35.304 -12.900 -1.655 125 HE1 TYR 21 HE2 TYR 21 37.739 -10.923 2.187 126 HE2 TYR 21 HE1 TYR 21 36.961 -11.094 -2.034 127 HH TYR 21 HH TYR 21 38.989 -10.182 -0.840 128 H THR 22 HN THR 22 35.339 -15.149 3.233 129 HA THR 22 HA THR 22 37.944 -14.240 3.685 130 HB THR 22 HB THR 22 37.583 -15.183 6.015 131 HG1 THR 22 HG1 THR 22 35.583 -16.396 4.612 132 HG21 THR 22 HG21 THR 22 35.419 -13.472 4.760 133 HG22 THR 22 HG22 THR 22 36.933 -12.898 5.457 134 HG23 THR 22 HG23 THR 22 35.702 -13.618 6.495 135 H ASP 23 HN ASP 23 36.858 -17.289 2.676 136 HA ASP 23 HA ASP 23 39.315 -18.626 3.604 137 HB2 ASP 23 HB2 ASP 23 36.576 -19.482 3.187 138 HB3 ASP 23 HB1 ASP 23 37.708 -20.503 2.302 139 H TRP 24 HN TRP 24 37.302 -18.310 0.670 140 HA TRP 24 HA TRP 24 38.763 -19.565 -1.224 141 HB2 TRP 24 HB2 TRP 24 37.026 -18.546 -2.270 142 HB3 TRP 24 HB1 TRP 24 37.108 -17.122 -1.233 143 HD1 TRP 24 HD1 TRP 24 38.669 -18.636 -4.379 144 HE1 TRP 24 HE1 TRP 24 39.869 -16.767 -5.689 145 HE3 TRP 24 HE3 TRP 24 38.222 -14.793 -1.046 146 HZ2 TRP 24 HZ2 TRP 24 40.548 -14.008 -5.366 147 HZ3 TRP 24 HZ3 TRP 24 39.153 -12.558 -1.571 148 HH2 TRP 24 HH2 TRP 24 40.314 -12.160 -3.725 149 H LYS 25 HN LYS 25 39.535 -16.393 0.158 150 HA LYS 25 HA LYS 25 41.563 -15.517 -1.440 151 HB2 LYS 25 HB2 LYS 25 40.648 -14.549 0.794 152 HB3 LYS 25 HB1 LYS 25 41.945 -15.487 1.538 153 HG2 LYS 25 HG2 LYS 25 43.594 -14.371 0.084 154 HG3 LYS 25 HG1 LYS 25 42.302 -13.433 -0.663 155 HD2 LYS 25 HD2 LYS 25 41.955 -12.137 1.236 156 HD3 LYS 25 HD1 LYS 25 42.596 -13.372 2.321 157 HE2 LYS 25 HE2 LYS 25 44.360 -11.992 0.299 158 HE3 LYS 25 HE1 LYS 25 44.070 -11.295 1.893 159 HZ1 LYS 25 HZ1 LYS 25 45.956 -13.154 1.294 160 HZ2 LYS 25 HZ2 LYS 25 44.717 -14.086 1.991 161 HZ3 LYS 25 HZ3 LYS 25 45.393 -12.786 2.851 162 H SER 26 HN SER 26 41.718 -18.085 0.966 163 HA SER 26 HA SER 26 44.486 -18.684 0.105 164 HB2 SER 26 HB2 SER 26 43.025 -19.116 2.693 165 HB3 SER 26 HB1 SER 26 44.428 -20.099 2.282 166 HG SER 26 HG SER 26 45.315 -18.383 3.247 167 H SER 27 HN SER 27 41.290 -20.054 0.687 168 HA SER 27 HA SER 27 42.155 -22.677 -0.271 169 HB2 SER 27 HB2 SER 27 40.666 -22.758 1.600 170 HB3 SER 27 HB1 SER 27 39.543 -21.638 0.836 171 HG SER 27 HG SER 27 38.656 -23.316 -0.040 172 H GLY 28 HN GLY 28 41.848 -20.085 -1.912 173 HA2 GLY 28 HA2 GLY 28 39.736 -20.712 -3.790 174 HA3 GLY 28 HA1 GLY 28 40.905 -19.403 -3.928 175 H ALA 29 HN ALA 29 42.742 -21.990 -3.242 176 HA ALA 29 HA ALA 29 43.445 -22.383 -6.054 177 HB1 ALA 29 HB1 ALA 29 44.909 -23.713 -3.814 178 HB2 ALA 29 HB2 ALA 29 45.063 -21.966 -4.004 179 HB3 ALA 29 HB3 ALA 29 45.533 -23.041 -5.320 180 H LEU 30 HN LEU 30 41.479 -23.844 -3.777 181 HA LEU 30 HA LEU 30 41.555 -26.397 -5.264 182 HB2 LEU 30 HB2 LEU 30 41.200 -27.628 -3.201 183 HB3 LEU 30 HB1 LEU 30 42.657 -26.645 -3.048 184 HG LEU 30 HG LEU 30 40.662 -24.927 -2.192 185 HD11 LEU 30 HD11 LEU 30 39.252 -26.138 -0.670 186 HD12 LEU 30 HD12 LEU 30 40.137 -27.637 -0.946 187 HD13 LEU 30 HD13 LEU 30 39.133 -26.959 -2.226 188 HD21 LEU 30 HD21 LEU 30 42.876 -25.231 -1.167 189 HD22 LEU 30 HD22 LEU 30 42.396 -26.819 -0.569 190 HD23 LEU 30 HD23 LEU 30 41.616 -25.368 0.060 191 H ILE 31 HN ILE 31 39.727 -23.807 -3.991 192 HA ILE 31 HA ILE 31 37.217 -25.210 -3.840 193 HB ILE 31 HB ILE 31 38.071 -22.351 -3.565 194 HG12 ILE 31 HG12 ILE 31 36.335 -24.113 -1.818 195 HG13 ILE 31 HG11 ILE 31 38.095 -24.084 -1.696 196 HG21 ILE 31 HG21 ILE 31 35.295 -23.399 -4.113 197 HG22 ILE 31 HG22 ILE 31 36.101 -21.997 -4.818 198 HG23 ILE 31 HG23 ILE 31 35.543 -21.946 -3.146 199 HD11 ILE 31 HD11 ILE 31 38.124 -21.812 -1.025 200 HD12 ILE 31 HD12 ILE 31 36.784 -22.517 -0.122 201 HD13 ILE 31 HD13 ILE 31 36.465 -21.547 -1.560 202 HA PRO 32 HA PRO 32 36.728 -22.681 -8.066 203 HB2 PRO 32 HB2 PRO 32 39.305 -23.632 -9.221 204 HB3 PRO 32 HB1 PRO 32 38.478 -22.076 -9.430 205 HG2 PRO 32 HG2 PRO 32 40.640 -22.299 -7.902 206 HG3 PRO 32 HG1 PRO 32 39.302 -21.222 -7.463 207 HD2 PRO 32 HD2 PRO 32 40.039 -23.882 -6.312 208 HD3 PRO 32 HD1 PRO 32 39.344 -22.458 -5.505 209 H ALA 33 HN ALA 33 38.049 -25.774 -7.287 210 HA ALA 33 HA ALA 33 37.370 -27.163 -9.668 211 HB1 ALA 33 HB1 ALA 33 37.226 -28.906 -7.409 212 HB2 ALA 33 HB2 ALA 33 38.564 -27.784 -7.160 213 HB3 ALA 33 HB3 ALA 33 38.508 -28.780 -8.615 214 H ILE 34 HN ILE 34 35.818 -27.310 -6.455 215 HA ILE 34 HA ILE 34 33.455 -28.553 -7.390 216 HB ILE 34 HB ILE 34 33.709 -26.796 -4.942 217 HG12 ILE 34 HG12 ILE 34 34.721 -29.564 -5.540 218 HG13 ILE 34 HG11 ILE 34 35.506 -28.263 -4.646 219 HG21 ILE 34 HG21 ILE 34 31.865 -28.011 -4.106 220 HG22 ILE 34 HG22 ILE 34 32.089 -29.322 -5.263 221 HG23 ILE 34 HG23 ILE 34 31.446 -27.771 -5.801 222 HD11 ILE 34 HD11 ILE 34 33.550 -28.554 -2.953 223 HD12 ILE 34 HD12 ILE 34 34.849 -29.748 -2.946 224 HD13 ILE 34 HD13 ILE 34 33.315 -30.118 -3.736 225 H TYR 35 HN TYR 35 34.262 -25.163 -6.694 226 HA TYR 35 HA TYR 35 31.884 -23.884 -7.045 227 HB2 TYR 35 HB2 TYR 35 34.610 -23.156 -7.180 228 HB3 TYR 35 HB1 TYR 35 33.852 -22.508 -8.634 229 HD1 TYR 35 HD2 TYR 35 33.014 -22.926 -4.995 230 HD2 TYR 35 HD1 TYR 35 32.921 -20.376 -8.452 231 HE1 TYR 35 HE2 TYR 35 31.968 -21.128 -3.644 232 HE2 TYR 35 HE1 TYR 35 31.877 -18.581 -7.102 233 HH TYR 35 HH TYR 35 31.927 -18.419 -3.908 234 H MET 36 HN MET 36 34.092 -24.844 -9.675 235 HA MET 36 HA MET 36 32.651 -24.000 -11.860 236 HB2 MET 36 HB2 MET 36 34.584 -26.176 -11.345 237 HB3 MET 36 HB1 MET 36 33.581 -26.374 -12.782 238 HG2 MET 36 HG2 MET 36 35.758 -25.105 -13.141 239 HG3 MET 36 HG1 MET 36 34.298 -24.275 -13.683 240 HE1 MET 36 HE1 MET 36 35.117 -21.844 -13.659 241 HE2 MET 36 HE2 MET 36 34.558 -21.002 -12.217 242 HE3 MET 36 HE3 MET 36 33.506 -22.173 -13.006 243 H LEU 37 HN LEU 37 32.480 -27.323 -10.569 244 HA LEU 37 HA LEU 37 30.275 -28.168 -12.020 245 HB2 LEU 37 HB2 LEU 37 31.753 -29.573 -10.519 246 HB3 LEU 37 HB1 LEU 37 30.819 -28.958 -9.154 247 HG LEU 37 HG LEU 37 28.838 -29.735 -10.901 248 HD11 LEU 37 HD11 LEU 37 30.670 -30.766 -12.321 249 HD12 LEU 37 HD12 LEU 37 29.417 -31.891 -11.801 250 HD13 LEU 37 HD13 LEU 37 30.981 -31.876 -10.986 251 HD21 LEU 37 HD21 LEU 37 28.619 -31.705 -9.373 252 HD22 LEU 37 HD22 LEU 37 28.873 -30.193 -8.503 253 HD23 LEU 37 HD23 LEU 37 30.208 -31.327 -8.710 254 H VAL 38 HN VAL 38 30.385 -26.439 -8.925 255 HA VAL 38 HA VAL 38 27.502 -26.425 -8.671 256 HB VAL 38 HB VAL 38 29.679 -24.996 -7.130 257 HG11 VAL 38 HG11 VAL 38 27.840 -23.639 -6.705 258 HG12 VAL 38 HG12 VAL 38 27.625 -24.874 -5.464 259 HG13 VAL 38 HG13 VAL 38 26.686 -24.948 -6.956 260 HG21 VAL 38 HG21 VAL 38 29.433 -27.557 -7.034 261 HG22 VAL 38 HG22 VAL 38 27.885 -27.262 -6.242 262 HG23 VAL 38 HG23 VAL 38 29.380 -26.699 -5.494 263 H PHE 39 HN PHE 39 29.581 -24.768 -10.629 264 HA PHE 39 HA PHE 39 28.000 -22.276 -10.557 265 HB2 PHE 39 HB2 PHE 39 30.461 -22.041 -10.377 266 HB3 PHE 39 HB1 PHE 39 30.631 -22.831 -11.944 267 HD1 PHE 39 HD1 PHE 39 28.884 -19.959 -10.291 268 HD2 PHE 39 HD2 PHE 39 30.579 -21.548 -13.904 269 HE1 PHE 39 HE1 PHE 39 28.504 -17.786 -11.424 270 HE2 PHE 39 HE2 PHE 39 30.199 -19.375 -15.038 271 HZ PHE 39 HZ PHE 39 29.161 -17.494 -13.797 272 H LEU 40 HN LEU 40 28.980 -24.968 -12.594 273 HA LEU 40 HA LEU 40 27.515 -23.854 -14.871 274 HB2 LEU 40 HB2 LEU 40 28.406 -25.822 -16.100 275 HB3 LEU 40 HB1 LEU 40 29.676 -24.835 -15.379 276 HG LEU 40 HG LEU 40 29.123 -26.610 -13.349 277 HD11 LEU 40 HD11 LEU 40 28.826 -28.789 -14.232 278 HD12 LEU 40 HD12 LEU 40 29.166 -28.258 -15.879 279 HD13 LEU 40 HD13 LEU 40 27.649 -27.805 -15.102 280 HD21 LEU 40 HD21 LEU 40 31.228 -27.741 -14.121 281 HD22 LEU 40 HD22 LEU 40 31.355 -25.982 -14.083 282 HD23 LEU 40 HD23 LEU 40 31.122 -26.817 -15.619 283 H LEU 41 HN LEU 41 26.784 -25.605 -12.175 284 HA LEU 41 HA LEU 41 24.532 -26.955 -13.535 285 HB2 LEU 41 HB2 LEU 41 24.906 -28.909 -12.437 286 HB3 LEU 41 HB1 LEU 41 26.543 -28.291 -12.304 287 HG LEU 41 HG LEU 41 25.786 -27.208 -10.084 288 HD11 LEU 41 HD11 LEU 41 23.860 -29.240 -9.472 289 HD12 LEU 41 HD12 LEU 41 23.299 -28.380 -10.904 290 HD13 LEU 41 HD13 LEU 41 23.647 -27.492 -9.422 291 HD21 LEU 41 HD21 LEU 41 25.669 -29.807 -9.163 292 HD22 LEU 41 HD22 LEU 41 27.149 -28.915 -9.503 293 HD23 LEU 41 HD23 LEU 41 26.467 -29.990 -10.725 294 H GLY 42 HN GLY 42 25.679 -25.078 -10.822 295 HA2 GLY 42 HA2 GLY 42 22.976 -24.935 -9.679 296 HA3 GLY 42 HA1 GLY 42 24.453 -24.352 -8.920 297 H THR 43 HN THR 43 24.732 -23.365 -12.008 298 HA THR 43 HA THR 43 23.151 -20.900 -11.645 299 HB THR 43 HB THR 43 25.815 -20.542 -12.865 300 HG1 THR 43 HG1 THR 43 26.767 -20.475 -10.759 301 HG21 THR 43 HG21 THR 43 25.669 -18.433 -11.810 302 HG22 THR 43 HG22 THR 43 24.527 -19.022 -10.601 303 HG23 THR 43 HG23 THR 43 24.007 -18.798 -12.272 304 H THR 44 HN THR 44 23.050 -23.404 -13.352 305 HA THR 44 HA THR 44 22.971 -22.045 -15.981 306 HB THR 44 HB THR 44 23.773 -24.875 -15.300 307 HG1 THR 44 HG1 THR 44 25.668 -24.249 -16.113 308 HG21 THR 44 HG21 THR 44 24.004 -24.806 -17.969 309 HG22 THR 44 HG22 THR 44 22.637 -23.706 -17.792 310 HG23 THR 44 HG23 THR 44 22.529 -25.353 -17.172 311 H GLY 45 HN GLY 45 21.528 -24.441 -13.830 312 HA2 GLY 45 HA2 GLY 45 18.975 -24.116 -15.285 313 HA3 GLY 45 HA1 GLY 45 19.540 -25.713 -14.802 314 H ASN 46 HN ASN 46 20.302 -23.119 -12.690 315 HA ASN 46 HA ASN 46 18.063 -23.845 -10.897 316 HB2 ASN 46 HB2 ASN 46 20.987 -23.480 -10.244 317 HB3 ASN 46 HB1 ASN 46 19.723 -23.433 -9.017 318 HD21 ASN 46 HD21 ASN 46 21.167 -25.552 -11.519 319 HD22 ASN 46 HD22 ASN 46 20.659 -27.003 -10.801 320 H GLY 47 HN GLY 47 20.560 -21.417 -11.629 321 HA2 GLY 47 HA2 GLY 47 19.225 -19.341 -10.142 322 HA3 GLY 47 HA1 GLY 47 20.617 -19.138 -11.203 323 H LEU 48 HN LEU 48 19.711 -20.044 -13.602 324 HA LEU 48 HA LEU 48 18.272 -17.866 -14.626 325 HB2 LEU 48 HB2 LEU 48 19.745 -19.347 -15.975 326 HB3 LEU 48 HB1 LEU 48 18.555 -20.636 -15.823 327 HG LEU 48 HG LEU 48 16.869 -19.191 -16.942 328 HD11 LEU 48 HD11 LEU 48 17.412 -16.967 -16.615 329 HD12 LEU 48 HD12 LEU 48 18.099 -17.200 -18.222 330 HD13 LEU 48 HD13 LEU 48 19.143 -17.251 -16.802 331 HD21 LEU 48 HD21 LEU 48 17.995 -20.684 -18.401 332 HD22 LEU 48 HD22 LEU 48 19.493 -19.755 -18.327 333 HD23 LEU 48 HD23 LEU 48 18.102 -19.118 -19.204 334 H VAL 49 HN VAL 49 17.215 -21.114 -13.683 335 HA VAL 49 HA VAL 49 14.533 -20.852 -14.548 336 HB VAL 49 HB VAL 49 15.913 -22.640 -12.559 337 HG11 VAL 49 HG11 VAL 49 13.782 -22.507 -11.572 338 HG12 VAL 49 HG12 VAL 49 13.627 -23.886 -12.659 339 HG13 VAL 49 HG13 VAL 49 12.972 -22.317 -13.126 340 HG21 VAL 49 HG21 VAL 49 14.353 -23.630 -14.886 341 HG22 VAL 49 HG22 VAL 49 15.916 -24.166 -14.271 342 HG23 VAL 49 HG23 VAL 49 15.811 -22.716 -15.269 343 H LEU 50 HN LEU 50 15.801 -20.816 -11.208 344 HA LEU 50 HA LEU 50 13.509 -19.931 -9.929 345 HB2 LEU 50 HB2 LEU 50 16.435 -19.653 -9.331 346 HB3 LEU 50 HB1 LEU 50 15.251 -18.839 -8.306 347 HG LEU 50 HG LEU 50 14.816 -21.724 -8.989 348 HD11 LEU 50 HD11 LEU 50 16.965 -22.083 -8.217 349 HD12 LEU 50 HD12 LEU 50 16.112 -22.025 -6.674 350 HD13 LEU 50 HD13 LEU 50 16.979 -20.603 -7.256 351 HD21 LEU 50 HD21 LEU 50 13.339 -19.995 -7.590 352 HD22 LEU 50 HD22 LEU 50 14.438 -20.474 -6.297 353 HD23 LEU 50 HD23 LEU 50 13.456 -21.689 -7.115 354 H TRP 51 HN TRP 51 15.736 -18.159 -11.916 355 HA TRP 51 HA TRP 51 14.800 -15.557 -11.019 356 HB2 TRP 51 HB2 TRP 51 17.111 -15.705 -11.670 357 HB3 TRP 51 HB1 TRP 51 16.682 -16.416 -13.226 358 HD1 TRP 51 HD1 TRP 51 16.755 -13.117 -11.344 359 HE1 TRP 51 HE1 TRP 51 16.326 -11.192 -13.005 360 HE3 TRP 51 HE3 TRP 51 15.502 -15.800 -15.504 361 HZ2 TRP 51 HZ2 TRP 51 15.556 -10.836 -15.736 362 HZ3 TRP 51 HZ3 TRP 51 14.927 -14.644 -17.620 363 HH2 TRP 51 HH2 TRP 51 14.951 -12.168 -17.740 364 H THR 52 HN THR 52 14.608 -17.512 -13.991 365 HA THR 52 HA THR 52 12.957 -15.709 -15.422 366 HB THR 52 HB THR 52 13.600 -18.631 -15.688 367 HG1 THR 52 HG1 THR 52 14.896 -17.863 -17.147 368 HG21 THR 52 HG21 THR 52 11.435 -17.063 -17.071 369 HG22 THR 52 HG22 THR 52 11.371 -18.701 -16.421 370 HG23 THR 52 HG23 THR 52 12.262 -18.375 -17.908 371 H VAL 53 HN VAL 53 12.249 -18.440 -13.294 372 HA VAL 53 HA VAL 53 9.471 -18.562 -13.749 373 HB VAL 53 HB VAL 53 11.212 -19.391 -11.434 374 HG11 VAL 53 HG11 VAL 53 9.165 -18.965 -10.337 375 HG12 VAL 53 HG12 VAL 53 9.060 -20.674 -10.759 376 HG13 VAL 53 HG13 VAL 53 8.212 -19.472 -11.731 377 HG21 VAL 53 HG21 VAL 53 10.901 -21.580 -12.298 378 HG22 VAL 53 HG22 VAL 53 11.160 -20.580 -13.727 379 HG23 VAL 53 HG23 VAL 53 9.528 -21.083 -13.287 380 H PHE 54 HN PHE 54 11.380 -16.830 -11.304 381 HA PHE 54 HA PHE 54 9.294 -15.734 -9.816 382 HB2 PHE 54 HB2 PHE 54 12.097 -15.439 -9.958 383 HB3 PHE 54 HB1 PHE 54 11.421 -13.818 -10.106 384 HD1 PHE 54 HD1 PHE 54 9.734 -13.023 -8.387 385 HD2 PHE 54 HD2 PHE 54 12.059 -16.600 -7.882 386 HE1 PHE 54 HE1 PHE 54 9.239 -13.001 -5.956 387 HE2 PHE 54 HE2 PHE 54 11.564 -16.578 -5.451 388 HZ PHE 54 HZ PHE 54 10.155 -14.778 -4.489 389 H ARG 55 HN ARG 55 10.250 -15.072 -13.037 390 HA ARG 55 HA ARG 55 8.750 -12.527 -13.053 391 HB2 ARG 55 HB2 ARG 55 10.979 -13.635 -14.709 392 HB3 ARG 55 HB1 ARG 55 9.864 -12.489 -15.452 393 HG2 ARG 55 HG2 ARG 55 10.558 -10.739 -14.129 394 HG3 ARG 55 HG1 ARG 55 10.916 -11.782 -12.753 395 HD2 ARG 55 HD2 ARG 55 12.593 -12.041 -15.221 396 HD3 ARG 55 HD1 ARG 55 12.873 -10.675 -14.145 397 HE ARG 55 HE ARG 55 13.616 -13.383 -13.644 398 HH11 ARG 55 HH21 ARG 55 12.390 -10.502 -12.170 399 HH12 ARG 55 HH22 ARG 55 13.017 -10.873 -10.599 400 HH21 ARG 55 HH11 ARG 55 14.438 -13.878 -11.586 401 HH22 ARG 55 HH12 ARG 55 14.177 -12.784 -10.268 402 H LYS 56 HN LYS 56 8.166 -15.694 -13.512 403 HA LYS 56 HA LYS 56 6.239 -15.186 -15.702 404 HB2 LYS 56 HB2 LYS 56 6.797 -17.130 -16.715 405 HB3 LYS 56 HB1 LYS 56 8.292 -16.976 -15.798 406 HG2 LYS 56 HG2 LYS 56 7.155 -18.296 -13.936 407 HG3 LYS 56 HG1 LYS 56 5.843 -18.616 -15.070 408 HD2 LYS 56 HD2 LYS 56 8.689 -19.227 -15.850 409 HD3 LYS 56 HD1 LYS 56 7.773 -20.358 -14.858 410 HE2 LYS 56 HE2 LYS 56 5.986 -20.406 -16.570 411 HE3 LYS 56 HE1 LYS 56 6.928 -19.302 -17.573 412 HZ1 LYS 56 HZ1 LYS 56 7.951 -21.067 -18.395 413 HZ2 LYS 56 HZ2 LYS 56 7.174 -22.106 -17.298 414 HZ3 LYS 56 HZ3 LYS 56 8.636 -21.354 -16.870 415 H LYS 57 HN LYS 57 6.791 -16.375 -12.495 416 HA LYS 57 HA LYS 57 3.999 -17.293 -12.285 417 HB2 LYS 57 HB2 LYS 57 6.000 -18.720 -11.504 418 HB3 LYS 57 HB1 LYS 57 6.108 -17.588 -10.156 419 HG2 LYS 57 HG2 LYS 57 3.599 -18.032 -9.799 420 HG3 LYS 57 HG1 LYS 57 3.812 -19.411 -10.879 421 HD2 LYS 57 HD2 LYS 57 5.568 -20.309 -9.407 422 HD3 LYS 57 HD1 LYS 57 5.384 -18.922 -8.331 423 HE2 LYS 57 HE2 LYS 57 4.137 -21.026 -7.621 424 HE3 LYS 57 HE1 LYS 57 3.155 -19.566 -7.735 425 HZ1 LYS 57 HZ1 LYS 57 3.430 -21.348 -10.063 426 HZ2 LYS 57 HZ2 LYS 57 2.176 -20.268 -9.681 427 HZ3 LYS 57 HZ3 LYS 57 2.329 -21.732 -8.831 428 H GLY 58 HN GLY 58 6.240 -14.852 -11.205 429 HA2 GLY 58 HA2 GLY 58 4.537 -13.877 -9.077 430 HA3 GLY 58 HA1 GLY 58 6.019 -13.125 -9.662 431 H HIS 59 HN HIS 59 5.215 -13.093 -12.440 432 HA HIS 59 HA HIS 59 3.771 -10.627 -12.441 433 HB2 HIS 59 HB2 HIS 59 5.077 -12.360 -14.477 434 HB3 HIS 59 HB1 HIS 59 3.833 -11.243 -15.040 435 HD2 HIS 59 HD2 HIS 59 4.431 -8.511 -13.594 436 HE1 HIS 59 HE1 HIS 59 8.532 -9.105 -14.400 437 HE2 HIS 59 HE2 HIS 59 6.784 -7.387 -13.736 438 H HIS 60 HN HIS 60 2.839 -13.871 -12.392 439 HA HIS 60 HA HIS 60 0.059 -13.160 -12.808 440 HB2 HIS 60 HB2 HIS 60 0.756 -13.578 -15.111 441 HB3 HIS 60 HB1 HIS 60 1.435 -15.137 -14.641 442 HD2 HIS 60 HD2 HIS 60 -1.995 -14.342 -13.017 443 HE1 HIS 60 HE1 HIS 60 -2.721 -17.020 -16.198 444 HE2 HIS 60 HE2 HIS 60 -3.756 -15.880 -14.179 445 H HIS 61 HN HIS 61 -0.226 -13.847 -10.674 446 HA HIS 61 HA HIS 61 0.694 -16.294 -9.618 447 HB2 HIS 61 HB2 HIS 61 -1.536 -15.821 -8.153 448 HB3 HIS 61 HB1 HIS 61 0.000 -14.994 -7.888 449 HD2 HIS 61 HD2 HIS 61 -3.610 -14.134 -8.924 450 HE1 HIS 61 HE1 HIS 61 -1.280 -10.701 -9.703 451 HE2 HIS 61 HE2 HIS 61 -3.650 -11.599 -9.545 452 H HIS 62 HN HIS 62 -2.767 -15.633 -9.987 453 HA HIS 62 HA HIS 62 -3.094 -18.112 -11.528 454 HB2 HIS 62 HB2 HIS 62 -4.493 -17.523 -8.910 455 HB3 HIS 62 HB1 HIS 62 -4.930 -18.832 -10.008 456 HD2 HIS 62 HD2 HIS 62 -2.716 -20.768 -10.389 457 HE1 HIS 62 HE1 HIS 62 -0.902 -19.747 -6.717 458 HE2 HIS 62 HE2 HIS 62 -0.942 -21.451 -8.599 459 H HIS 63 HN HIS 63 -5.512 -16.220 -9.778 460 HA HIS 63 HA HIS 63 -6.955 -15.779 -12.269 461 HB2 HIS 63 HB2 HIS 63 -7.618 -15.149 -9.385 462 HB3 HIS 63 HB1 HIS 63 -8.685 -14.792 -10.744 463 HD2 HIS 63 HD2 HIS 63 -8.860 -17.383 -8.287 464 HE1 HIS 63 HE1 HIS 63 -9.212 -19.634 -11.841 465 HE2 HIS 63 HE2 HIS 63 -9.547 -19.680 -9.324 466 H HIS 64 HN HIS 64 -4.489 -14.430 -12.147 467 HA HIS 64 HA HIS 64 -3.513 -12.330 -12.216 468 HB2 HIS 64 HB2 HIS 64 -4.579 -10.890 -13.796 469 HB3 HIS 64 HB1 HIS 64 -4.954 -12.540 -14.294 470 HD2 HIS 64 HD2 HIS 64 -6.802 -9.405 -12.823 471 HE1 HIS 64 HE1 HIS 64 -9.696 -12.376 -13.611 472 HE2 HIS 64 HE2 HIS 64 -9.353 -9.953 -12.931 Start of MODEL 38 1 H1 MET 1 HT1 MET 1 24.730 -24.377 -16.276 2 H2 MET 1 HT2 MET 1 24.011 -25.914 -16.213 3 H3 MET 1 HT3 MET 1 23.351 -24.705 -17.207 4 HA MET 1 HA MET 1 26.098 -25.739 -17.583 5 HB2 MET 1 HB2 MET 1 24.435 -27.588 -17.760 6 HB3 MET 1 HB1 MET 1 23.561 -26.651 -18.972 7 HG2 MET 1 HG2 MET 1 25.450 -26.702 -20.475 8 HG3 MET 1 HG1 MET 1 26.477 -27.425 -19.238 9 HE1 MET 1 HE1 MET 1 23.369 -29.359 -21.928 10 HE2 MET 1 HE2 MET 1 24.341 -27.913 -22.188 11 HE3 MET 1 HE3 MET 1 23.020 -27.878 -21.024 12 H GLU 2 HN GLU 2 23.191 -24.696 -19.384 13 HA GLU 2 HA GLU 2 24.871 -23.129 -21.186 14 HB2 GLU 2 HB2 GLU 2 21.865 -23.443 -21.239 15 HB3 GLU 2 HB1 GLU 2 22.914 -22.910 -22.554 16 HG2 GLU 2 HG2 GLU 2 23.998 -25.359 -21.804 17 HG3 GLU 2 HG1 GLU 2 22.259 -25.624 -21.688 18 H GLU 3 HN GLU 3 24.646 -20.901 -21.512 19 HA GLU 3 HA GLU 3 24.462 -18.721 -20.801 20 HB2 GLU 3 HB2 GLU 3 21.845 -19.919 -20.724 21 HB3 GLU 3 HB1 GLU 3 21.992 -18.728 -19.431 22 HG2 GLU 3 HG2 GLU 3 22.698 -17.022 -21.006 23 HG3 GLU 3 HG1 GLU 3 22.749 -18.199 -22.317 24 H GLY 4 HN GLY 4 23.486 -17.451 -18.657 25 HA2 GLY 4 HA2 GLY 4 24.551 -18.853 -16.286 26 HA3 GLY 4 HA1 GLY 4 25.115 -17.235 -16.688 27 H GLY 5 HN GLY 5 24.283 -15.960 -15.133 28 HA2 GLY 5 HA2 GLY 5 21.584 -15.205 -15.129 29 HA3 GLY 5 HA1 GLY 5 21.820 -16.350 -13.812 30 H ASP 6 HN ASP 6 23.738 -15.854 -12.363 31 HA ASP 6 HA ASP 6 24.830 -14.444 -10.914 32 HB2 ASP 6 HB2 ASP 6 25.566 -13.472 -13.223 33 HB3 ASP 6 HB1 ASP 6 24.453 -12.162 -12.827 34 H PHE 7 HN PHE 7 22.394 -14.859 -10.117 35 HA PHE 7 HA PHE 7 21.428 -12.208 -9.267 36 HB2 PHE 7 HB2 PHE 7 20.059 -13.495 -11.162 37 HB3 PHE 7 HB1 PHE 7 19.399 -14.335 -9.757 38 HD1 PHE 7 HD1 PHE 7 19.823 -11.033 -11.380 39 HD2 PHE 7 HD2 PHE 7 17.982 -13.207 -8.165 40 HE1 PHE 7 HE1 PHE 7 18.367 -9.084 -10.896 41 HE2 PHE 7 HE2 PHE 7 16.526 -11.259 -7.681 42 HZ PHE 7 HZ PHE 7 16.718 -9.197 -9.047 43 H ASP 8 HN ASP 8 23.118 -13.846 -7.796 44 HA ASP 8 HA ASP 8 21.343 -14.592 -5.568 45 HB2 ASP 8 HB2 ASP 8 22.098 -16.725 -5.402 46 HB3 ASP 8 HB1 ASP 8 22.474 -16.522 -7.112 47 H ASN 9 HN ASN 9 23.634 -12.585 -6.570 48 HA ASN 9 HA ASN 9 25.743 -12.724 -4.736 49 HB2 ASN 9 HB2 ASN 9 26.321 -10.594 -5.452 50 HB3 ASN 9 HB1 ASN 9 25.340 -11.159 -6.804 51 HD21 ASN 9 HD21 ASN 9 22.755 -10.784 -6.038 52 HD22 ASN 9 HD22 ASN 9 22.461 -9.167 -5.613 53 H TYR 10 HN TYR 10 25.895 -10.440 -3.301 54 HA TYR 10 HA TYR 10 25.435 -9.748 -1.147 55 HB2 TYR 10 HB2 TYR 10 23.954 -8.300 -2.381 56 HB3 TYR 10 HB1 TYR 10 22.729 -9.564 -2.479 57 HD1 TYR 10 HD1 TYR 10 24.767 -7.715 0.074 58 HD2 TYR 10 HD2 TYR 10 21.025 -9.602 -0.876 59 HE1 TYR 10 HE1 TYR 10 23.845 -6.988 2.258 60 HE2 TYR 10 HE2 TYR 10 20.104 -8.874 1.307 61 HH TYR 10 HH TYR 10 20.589 -6.996 2.972 62 H TYR 11 HN TYR 11 25.796 -11.478 0.194 63 HA TYR 11 HA TYR 11 25.223 -13.021 1.801 64 HB2 TYR 11 HB2 TYR 11 22.983 -11.454 1.620 65 HB3 TYR 11 HB1 TYR 11 22.329 -13.047 1.246 66 HD1 TYR 11 HD2 TYR 11 23.893 -14.891 2.821 67 HD2 TYR 11 HD1 TYR 11 22.519 -10.954 3.856 68 HE1 TYR 11 HE2 TYR 11 23.984 -15.491 5.225 69 HE2 TYR 11 HE1 TYR 11 22.610 -11.555 6.260 70 HH TYR 11 HH TYR 11 23.281 -13.085 7.746 71 H GLY 12 HN GLY 12 25.938 -13.789 -0.811 72 HA2 GLY 12 HA2 GLY 12 25.101 -16.516 -0.800 73 HA3 GLY 12 HA1 GLY 12 24.340 -15.629 -2.117 74 H ALA 13 HN ALA 13 26.784 -13.837 -2.158 75 HA ALA 13 HA ALA 13 28.415 -15.599 -3.866 76 HB1 ALA 13 HB1 ALA 13 29.373 -13.258 -4.551 77 HB2 ALA 13 HB2 ALA 13 27.895 -12.644 -3.808 78 HB3 ALA 13 HB3 ALA 13 27.800 -13.766 -5.166 79 H ASP 14 HN ASP 14 28.456 -13.685 -0.981 80 HA ASP 14 HA ASP 14 31.377 -13.998 -0.731 81 HB2 ASP 14 HB2 ASP 14 31.194 -12.363 1.099 82 HB3 ASP 14 HB1 ASP 14 30.510 -11.725 -0.394 83 H ASN 15 HN ASN 15 28.376 -15.210 0.376 84 HA ASN 15 HA ASN 15 29.068 -16.085 2.963 85 HB2 ASN 15 HB2 ASN 15 26.801 -16.252 2.615 86 HB3 ASN 15 HB1 ASN 15 26.990 -16.808 0.953 87 HD21 ASN 15 HD21 ASN 15 28.039 -18.015 4.201 88 HD22 ASN 15 HD22 ASN 15 27.538 -19.612 3.919 89 H GLN 16 HN GLN 16 29.612 -17.438 -0.229 90 HA GLN 16 HA GLN 16 30.727 -19.899 0.902 91 HB2 GLN 16 HB2 GLN 16 30.877 -20.653 -1.417 92 HB3 GLN 16 HB1 GLN 16 29.258 -20.039 -1.085 93 HG2 GLN 16 HG2 GLN 16 30.002 -17.816 -2.022 94 HG3 GLN 16 HG1 GLN 16 31.497 -18.600 -2.528 95 HE21 GLN 16 HE21 GLN 16 31.301 -18.876 -4.764 96 HE22 GLN 16 HE22 GLN 16 29.951 -19.558 -5.533 97 H SER 17 HN SER 17 31.906 -17.030 0.939 98 HA SER 17 HA SER 17 34.558 -17.740 -0.173 99 HB2 SER 17 HB2 SER 17 34.849 -15.595 -0.888 100 HB3 SER 17 HB1 SER 17 33.089 -15.611 -0.922 101 HG SER 17 HG SER 17 33.186 -14.104 0.524 102 H GLU 18 HN GLU 18 33.025 -15.796 2.402 103 HA GLU 18 HA GLU 18 35.338 -15.554 3.994 104 HB2 GLU 18 HB2 GLU 18 32.412 -15.454 4.760 105 HB3 GLU 18 HB1 GLU 18 33.741 -14.973 5.816 106 HG2 GLU 18 HG2 GLU 18 34.433 -13.255 4.233 107 HG3 GLU 18 HG1 GLU 18 33.203 -13.778 3.083 108 H CYS 19 HN CYS 19 32.664 -17.886 4.054 109 HA CYS 19 HA CYS 19 33.637 -19.328 6.321 110 HB2 CYS 19 HB2 CYS 19 31.251 -19.266 5.183 111 HB3 CYS 19 HB1 CYS 19 31.899 -20.624 4.263 112 HG CYS 19 HG CYS 19 32.526 -21.584 6.809 113 H GLU 20 HN GLU 20 34.103 -19.578 2.845 114 HA GLU 20 HA GLU 20 35.749 -21.993 3.224 115 HB2 GLU 20 HB2 GLU 20 35.137 -20.856 0.529 116 HB3 GLU 20 HB1 GLU 20 35.336 -22.538 1.018 117 HG2 GLU 20 HG2 GLU 20 33.189 -22.246 2.378 118 HG3 GLU 20 HG1 GLU 20 32.959 -20.736 1.498 119 H TYR 21 HN TYR 21 36.309 -18.908 3.588 120 HA TYR 21 HA TYR 21 38.462 -18.408 1.745 121 HB2 TYR 21 HB2 TYR 21 37.705 -16.379 2.446 122 HB3 TYR 21 HB1 TYR 21 37.184 -16.999 4.012 123 HD1 TYR 21 HD1 TYR 21 40.292 -16.287 2.043 124 HD2 TYR 21 HD2 TYR 21 38.464 -16.541 5.921 125 HE1 TYR 21 HE1 TYR 21 42.368 -15.411 3.079 126 HE2 TYR 21 HE2 TYR 21 40.539 -15.666 6.958 127 HH TYR 21 HH TYR 21 42.976 -15.572 6.392 128 H THR 22 HN THR 22 38.272 -19.171 5.219 129 HA THR 22 HA THR 22 41.045 -19.277 5.692 130 HB THR 22 HB THR 22 40.470 -20.482 7.726 131 HG1 THR 22 HG1 THR 22 37.786 -20.589 7.184 132 HG21 THR 22 HG21 THR 22 39.002 -18.863 8.697 133 HG22 THR 22 HG22 THR 22 38.233 -18.533 7.144 134 HG23 THR 22 HG23 THR 22 39.895 -18.017 7.432 135 H ASP 23 HN ASP 23 38.856 -21.521 4.208 136 HA ASP 23 HA ASP 23 40.754 -23.736 4.389 137 HB2 ASP 23 HB2 ASP 23 38.060 -23.731 4.442 138 HB3 ASP 23 HB1 ASP 23 38.320 -23.970 2.715 139 H TRP 24 HN TRP 24 39.209 -21.718 1.900 140 HA TRP 24 HA TRP 24 40.164 -22.790 -0.416 141 HB2 TRP 24 HB2 TRP 24 38.936 -20.926 -0.895 142 HB3 TRP 24 HB1 TRP 24 39.586 -20.019 0.470 143 HD1 TRP 24 HD1 TRP 24 40.639 -21.231 -3.035 144 HE1 TRP 24 HE1 TRP 24 42.405 -19.595 -3.959 145 HE3 TRP 24 HE3 TRP 24 41.226 -18.183 1.020 146 HZ2 TRP 24 HZ2 TRP 24 43.871 -17.296 -3.092 147 HZ3 TRP 24 HZ3 TRP 24 42.812 -16.281 0.945 148 HH2 TRP 24 HH2 TRP 24 44.134 -15.834 -1.105 149 H LYS 25 HN LYS 25 41.933 -20.436 1.601 150 HA LYS 25 HA LYS 25 44.251 -20.130 0.217 151 HB2 LYS 25 HB2 LYS 25 43.692 -19.162 2.485 152 HB3 LYS 25 HB1 LYS 25 44.228 -20.690 3.185 153 HG2 LYS 25 HG2 LYS 25 46.439 -20.410 2.157 154 HG3 LYS 25 HG1 LYS 25 45.911 -18.904 1.404 155 HD2 LYS 25 HD2 LYS 25 45.505 -17.932 3.642 156 HD3 LYS 25 HD1 LYS 25 46.056 -19.432 4.388 157 HE2 LYS 25 HE2 LYS 25 48.123 -18.514 4.361 158 HE3 LYS 25 HE1 LYS 25 48.106 -18.813 2.624 159 HZ1 LYS 25 HZ1 LYS 25 46.657 -16.466 3.192 160 HZ2 LYS 25 HZ2 LYS 25 48.062 -16.647 2.254 161 HZ3 LYS 25 HZ3 LYS 25 48.184 -16.360 3.923 162 H SER 26 HN SER 26 43.128 -23.019 1.777 163 HA SER 26 HA SER 26 45.696 -24.370 1.226 164 HB2 SER 26 HB2 SER 26 44.431 -24.409 3.545 165 HB3 SER 26 HB1 SER 26 43.480 -25.667 2.758 166 HG SER 26 HG SER 26 45.801 -26.379 2.134 167 H SER 27 HN SER 27 42.188 -24.663 0.775 168 HA SER 27 HA SER 27 42.413 -27.015 -0.873 169 HB2 SER 27 HB2 SER 27 40.066 -25.129 -0.580 170 HB3 SER 27 HB1 SER 27 40.027 -26.777 -1.200 171 HG SER 27 HG SER 27 41.242 -26.705 1.197 172 H GLY 28 HN GLY 28 43.303 -23.919 -1.425 173 HA2 GLY 28 HA2 GLY 28 42.210 -23.182 -3.884 174 HA3 GLY 28 HA1 GLY 28 43.822 -22.736 -3.331 175 H ALA 29 HN ALA 29 43.923 -25.956 -3.188 176 HA ALA 29 HA ALA 29 45.136 -26.167 -5.858 177 HB1 ALA 29 HB1 ALA 29 45.778 -27.202 -3.247 178 HB2 ALA 29 HB2 ALA 29 46.743 -27.237 -4.723 179 HB3 ALA 29 HB3 ALA 29 45.591 -28.531 -4.392 180 H LEU 30 HN LEU 30 42.189 -26.688 -4.561 181 HA LEU 30 HA LEU 30 41.459 -28.564 -6.640 182 HB2 LEU 30 HB2 LEU 30 40.349 -30.118 -4.960 183 HB3 LEU 30 HB1 LEU 30 42.108 -30.210 -5.050 184 HG LEU 30 HG LEU 30 41.250 -28.171 -3.159 185 HD11 LEU 30 HD11 LEU 30 40.418 -29.833 -1.457 186 HD12 LEU 30 HD12 LEU 30 40.297 -31.020 -2.756 187 HD13 LEU 30 HD13 LEU 30 39.304 -29.563 -2.798 188 HD21 LEU 30 HD21 LEU 30 43.512 -29.290 -3.397 189 HD22 LEU 30 HD22 LEU 30 42.784 -30.750 -2.725 190 HD23 LEU 30 HD23 LEU 30 42.870 -29.281 -1.754 191 H ILE 31 HN ILE 31 40.853 -25.808 -5.368 192 HA ILE 31 HA ILE 31 38.093 -26.006 -4.584 193 HB ILE 31 HB ILE 31 40.041 -23.776 -4.991 194 HG12 ILE 31 HG12 ILE 31 39.443 -25.205 -2.841 195 HG13 ILE 31 HG11 ILE 31 39.758 -23.477 -2.712 196 HG21 ILE 31 HG21 ILE 31 38.203 -22.775 -6.094 197 HG22 ILE 31 HG22 ILE 31 38.048 -22.233 -4.425 198 HG23 ILE 31 HG23 ILE 31 37.031 -23.543 -5.023 199 HD11 ILE 31 HD11 ILE 31 37.461 -22.952 -2.535 200 HD12 ILE 31 HD12 ILE 31 37.640 -24.401 -1.547 201 HD13 ILE 31 HD13 ILE 31 36.963 -24.521 -3.171 202 HA PRO 32 HA PRO 32 37.658 -24.124 -9.111 203 HB2 PRO 32 HB2 PRO 32 39.482 -26.031 -10.473 204 HB3 PRO 32 HB1 PRO 32 39.233 -24.300 -10.768 205 HG2 PRO 32 HG2 PRO 32 41.437 -25.219 -9.581 206 HG3 PRO 32 HG1 PRO 32 40.704 -23.669 -9.130 207 HD2 PRO 32 HD2 PRO 32 40.620 -26.289 -7.681 208 HD3 PRO 32 HD1 PRO 32 40.695 -24.638 -7.027 209 H ALA 33 HN ALA 33 38.238 -27.461 -8.204 210 HA ALA 33 HA ALA 33 36.626 -28.755 -10.110 211 HB1 ALA 33 HB1 ALA 33 37.338 -29.496 -7.267 212 HB2 ALA 33 HB2 ALA 33 38.110 -30.061 -8.749 213 HB3 ALA 33 HB3 ALA 33 36.465 -30.567 -8.363 214 H ILE 34 HN ILE 34 35.782 -28.102 -6.700 215 HA ILE 34 HA ILE 34 33.053 -28.654 -6.945 216 HB ILE 34 HB ILE 34 34.713 -27.076 -5.021 217 HG12 ILE 34 HG12 ILE 34 34.212 -29.676 -5.156 218 HG13 ILE 34 HG11 ILE 34 34.279 -28.857 -3.598 219 HG21 ILE 34 HG21 ILE 34 32.501 -26.807 -3.701 220 HG22 ILE 34 HG22 ILE 34 31.705 -27.014 -5.261 221 HG23 ILE 34 HG23 ILE 34 32.817 -25.668 -5.008 222 HD11 ILE 34 HD11 ILE 34 31.679 -29.110 -5.110 223 HD12 ILE 34 HD12 ILE 34 31.927 -28.805 -3.390 224 HD13 ILE 34 HD13 ILE 34 32.254 -30.403 -4.057 225 H TYR 35 HN TYR 35 34.768 -25.543 -7.169 226 HA TYR 35 HA TYR 35 32.719 -23.769 -7.455 227 HB2 TYR 35 HB2 TYR 35 35.480 -23.870 -8.246 228 HB3 TYR 35 HB1 TYR 35 34.529 -23.104 -9.519 229 HD1 TYR 35 HD2 TYR 35 34.855 -23.109 -5.779 230 HD2 TYR 35 HD1 TYR 35 34.040 -20.826 -9.326 231 HE1 TYR 35 HE2 TYR 35 34.698 -21.044 -4.415 232 HE2 TYR 35 HE1 TYR 35 33.884 -18.762 -7.962 233 HH TYR 35 HH TYR 35 34.502 -17.887 -5.877 234 H MET 36 HN MET 36 34.137 -25.676 -10.119 235 HA MET 36 HA MET 36 32.527 -24.827 -12.195 236 HB2 MET 36 HB2 MET 36 33.797 -27.489 -11.600 237 HB3 MET 36 HB1 MET 36 32.839 -27.242 -13.060 238 HG2 MET 36 HG2 MET 36 35.055 -25.341 -12.304 239 HG3 MET 36 HG1 MET 36 35.383 -26.812 -13.221 240 HE1 MET 36 HE1 MET 36 33.954 -23.241 -13.193 241 HE2 MET 36 HE2 MET 36 34.410 -22.903 -14.860 242 HE3 MET 36 HE3 MET 36 35.605 -23.556 -13.742 243 H LEU 37 HN LEU 37 31.948 -27.868 -10.416 244 HA LEU 37 HA LEU 37 29.381 -28.340 -11.358 245 HB2 LEU 37 HB2 LEU 37 30.801 -29.931 -10.027 246 HB3 LEU 37 HB1 LEU 37 30.366 -29.021 -8.581 247 HG LEU 37 HG LEU 37 27.950 -29.561 -9.991 248 HD11 LEU 37 HD11 LEU 37 27.971 -32.001 -10.089 249 HD12 LEU 37 HD12 LEU 37 29.644 -32.035 -9.532 250 HD13 LEU 37 HD13 LEU 37 29.254 -31.365 -11.117 251 HD21 LEU 37 HD21 LEU 37 28.250 -29.277 -7.542 252 HD22 LEU 37 HD22 LEU 37 29.118 -30.811 -7.482 253 HD23 LEU 37 HD23 LEU 37 27.411 -30.781 -7.923 254 H VAL 38 HN VAL 38 30.457 -26.022 -9.015 255 HA VAL 38 HA VAL 38 27.663 -25.484 -8.212 256 HB VAL 38 HB VAL 38 30.265 -24.623 -6.925 257 HG11 VAL 38 HG11 VAL 38 28.357 -24.208 -5.060 258 HG12 VAL 38 HG12 VAL 38 27.411 -23.887 -6.514 259 HG13 VAL 38 HG13 VAL 38 28.872 -22.954 -6.188 260 HG21 VAL 38 HG21 VAL 38 29.810 -27.015 -6.644 261 HG22 VAL 38 HG22 VAL 38 28.159 -26.662 -6.136 262 HG23 VAL 38 HG23 VAL 38 29.517 -26.175 -5.121 263 H PHE 39 HN PHE 39 29.558 -24.566 -10.604 264 HA PHE 39 HA PHE 39 28.791 -21.711 -10.422 265 HB2 PHE 39 HB2 PHE 39 31.208 -21.921 -10.354 266 HB3 PHE 39 HB1 PHE 39 31.188 -22.953 -11.783 267 HD1 PHE 39 HD2 PHE 39 30.360 -19.531 -10.557 268 HD2 PHE 39 HD1 PHE 39 31.127 -22.029 -13.967 269 HE1 PHE 39 HE2 PHE 39 30.427 -17.524 -12.013 270 HE2 PHE 39 HE1 PHE 39 31.196 -20.021 -15.422 271 HZ PHE 39 HZ PHE 39 30.845 -17.768 -14.445 272 H LEU 40 HN LEU 40 28.778 -24.639 -12.300 273 HA LEU 40 HA LEU 40 27.461 -23.218 -14.532 274 HB2 LEU 40 HB2 LEU 40 28.057 -25.142 -15.916 275 HB3 LEU 40 HB1 LEU 40 29.497 -24.491 -15.132 276 HG LEU 40 HG LEU 40 28.558 -26.315 -13.274 277 HD11 LEU 40 HD11 LEU 40 28.408 -27.652 -15.982 278 HD12 LEU 40 HD12 LEU 40 26.972 -27.074 -15.138 279 HD13 LEU 40 HD13 LEU 40 27.976 -28.329 -14.412 280 HD21 LEU 40 HD21 LEU 40 30.574 -26.743 -15.503 281 HD22 LEU 40 HD22 LEU 40 30.492 -27.673 -14.008 282 HD23 LEU 40 HD23 LEU 40 30.902 -25.959 -13.958 283 H LEU 41 HN LEU 41 26.722 -24.885 -11.823 284 HA LEU 41 HA LEU 41 24.194 -25.864 -12.987 285 HB2 LEU 41 HB2 LEU 41 24.917 -27.956 -12.552 286 HB3 LEU 41 HB1 LEU 41 26.261 -27.381 -11.580 287 HG LEU 41 HG LEU 41 24.764 -27.127 -9.630 288 HD11 LEU 41 HD11 LEU 41 22.728 -27.221 -11.632 289 HD12 LEU 41 HD12 LEU 41 22.519 -27.020 -9.892 290 HD13 LEU 41 HD13 LEU 41 22.511 -28.633 -10.600 291 HD21 LEU 41 HD21 LEU 41 23.959 -29.826 -10.326 292 HD22 LEU 41 HD22 LEU 41 25.151 -29.287 -9.143 293 HD23 LEU 41 HD23 LEU 41 25.621 -29.513 -10.828 294 H GLY 42 HN GLY 42 25.967 -24.667 -10.193 295 HA2 GLY 42 HA2 GLY 42 23.467 -24.130 -8.757 296 HA3 GLY 42 HA1 GLY 42 25.094 -23.977 -8.102 297 H THR 43 HN THR 43 25.420 -22.603 -11.012 298 HA THR 43 HA THR 43 24.337 -19.976 -10.222 299 HB THR 43 HB THR 43 27.091 -20.107 -11.380 300 HG1 THR 43 HG1 THR 43 27.713 -20.010 -9.049 301 HG21 THR 43 HG21 THR 43 25.976 -18.264 -9.271 302 HG22 THR 43 HG22 THR 43 25.643 -18.003 -10.983 303 HG23 THR 43 HG23 THR 43 27.305 -17.973 -10.394 304 H THR 44 HN THR 44 23.622 -22.026 -12.247 305 HA THR 44 HA THR 44 23.720 -20.248 -14.592 306 HB THR 44 HB THR 44 24.382 -23.194 -14.538 307 HG1 THR 44 HG1 THR 44 25.990 -21.834 -16.047 308 HG21 THR 44 HG21 THR 44 23.407 -21.423 -16.760 309 HG22 THR 44 HG22 THR 44 22.971 -23.093 -16.396 310 HG23 THR 44 HG23 THR 44 24.542 -22.728 -17.111 311 H GLY 45 HN GLY 45 22.316 -23.267 -13.313 312 HA2 GLY 45 HA2 GLY 45 19.811 -22.700 -14.735 313 HA3 GLY 45 HA1 GLY 45 20.233 -24.213 -13.937 314 H ASN 46 HN ASN 46 21.210 -22.069 -11.763 315 HA ASN 46 HA ASN 46 18.819 -22.367 -10.146 316 HB2 ASN 46 HB2 ASN 46 20.307 -22.355 -8.477 317 HB3 ASN 46 HB1 ASN 46 21.597 -22.096 -9.650 318 HD21 ASN 46 HD21 ASN 46 22.642 -20.081 -9.592 319 HD22 ASN 46 HD22 ASN 46 22.101 -18.751 -8.688 320 H GLY 47 HN GLY 47 20.827 -19.644 -11.282 321 HA2 GLY 47 HA2 GLY 47 19.040 -17.628 -10.352 322 HA3 GLY 47 HA1 GLY 47 20.354 -17.398 -11.501 323 H LEU 48 HN LEU 48 19.657 -19.007 -13.583 324 HA LEU 48 HA LEU 48 17.847 -17.484 -15.046 325 HB2 LEU 48 HB2 LEU 48 19.503 -19.084 -16.014 326 HB3 LEU 48 HB1 LEU 48 18.485 -20.414 -15.469 327 HG LEU 48 HG LEU 48 16.609 -19.511 -16.838 328 HD11 LEU 48 HD11 LEU 48 16.878 -17.251 -17.189 329 HD12 LEU 48 HD12 LEU 48 17.612 -17.841 -18.680 330 HD13 LEU 48 HD13 LEU 48 18.633 -17.371 -17.322 331 HD21 LEU 48 HD21 LEU 48 19.158 -20.548 -17.854 332 HD22 LEU 48 HD22 LEU 48 18.211 -19.711 -19.084 333 HD23 LEU 48 HD23 LEU 48 17.512 -21.073 -18.208 334 H VAL 49 HN VAL 49 17.304 -20.599 -13.401 335 HA VAL 49 HA VAL 49 14.577 -20.846 -14.059 336 HB VAL 49 HB VAL 49 16.232 -21.942 -11.785 337 HG11 VAL 49 HG11 VAL 49 14.065 -21.916 -10.845 338 HG12 VAL 49 HG12 VAL 49 14.187 -23.520 -11.568 339 HG13 VAL 49 HG13 VAL 49 13.293 -22.245 -12.397 340 HG21 VAL 49 HG21 VAL 49 16.551 -22.696 -14.207 341 HG22 VAL 49 HG22 VAL 49 14.913 -23.344 -14.123 342 HG23 VAL 49 HG23 VAL 49 16.166 -23.975 -13.054 343 H LEU 50 HN LEU 50 15.848 -20.099 -10.811 344 HA LEU 50 HA LEU 50 13.543 -19.165 -9.652 345 HB2 LEU 50 HB2 LEU 50 16.354 -18.105 -9.266 346 HB3 LEU 50 HB1 LEU 50 15.006 -17.804 -8.170 347 HG LEU 50 HG LEU 50 16.059 -20.556 -8.903 348 HD11 LEU 50 HD11 LEU 50 16.835 -18.588 -6.851 349 HD12 LEU 50 HD12 LEU 50 17.724 -19.980 -7.468 350 HD13 LEU 50 HD13 LEU 50 16.501 -20.199 -6.217 351 HD21 LEU 50 HD21 LEU 50 13.890 -20.995 -8.227 352 HD22 LEU 50 HD22 LEU 50 13.788 -19.539 -7.238 353 HD23 LEU 50 HD23 LEU 50 14.673 -20.944 -6.648 354 H TRP 51 HN TRP 51 15.436 -17.656 -12.116 355 HA TRP 51 HA TRP 51 14.286 -15.017 -11.704 356 HB2 TRP 51 HB2 TRP 51 16.554 -15.092 -12.512 357 HB3 TRP 51 HB1 TRP 51 16.097 -16.151 -13.846 358 HD1 TRP 51 HD1 TRP 51 15.931 -12.536 -12.684 359 HE1 TRP 51 HE1 TRP 51 15.182 -11.054 -14.656 360 HE3 TRP 51 HE3 TRP 51 14.719 -16.142 -16.091 361 HZ2 TRP 51 HZ2 TRP 51 14.201 -11.356 -17.325 362 HZ3 TRP 51 HZ3 TRP 51 13.880 -15.518 -18.338 363 HH2 TRP 51 HH2 TRP 51 13.620 -13.131 -18.957 364 H THR 52 HN THR 52 14.066 -17.634 -14.101 365 HA THR 52 HA THR 52 12.116 -16.318 -15.721 366 HB THR 52 HB THR 52 13.180 -19.117 -15.527 367 HG1 THR 52 HG1 THR 52 13.049 -18.044 -17.957 368 HG21 THR 52 HG21 THR 52 10.933 -19.648 -15.976 369 HG22 THR 52 HG22 THR 52 11.643 -19.513 -17.585 370 HG23 THR 52 HG23 THR 52 10.683 -18.186 -16.932 371 H VAL 53 HN VAL 53 11.939 -18.811 -13.196 372 HA VAL 53 HA VAL 53 9.185 -19.308 -13.322 373 HB VAL 53 HB VAL 53 11.191 -19.505 -11.083 374 HG11 VAL 53 HG11 VAL 53 8.214 -19.878 -11.053 375 HG12 VAL 53 HG12 VAL 53 9.266 -19.208 -9.805 376 HG13 VAL 53 HG13 VAL 53 9.222 -20.950 -10.081 377 HG21 VAL 53 HG21 VAL 53 11.096 -21.069 -13.152 378 HG22 VAL 53 HG22 VAL 53 9.614 -21.697 -12.432 379 HG23 VAL 53 HG23 VAL 53 11.140 -21.821 -11.557 380 H PHE 54 HN PHE 54 11.013 -16.830 -11.593 381 HA PHE 54 HA PHE 54 8.836 -15.801 -10.090 382 HB2 PHE 54 HB2 PHE 54 11.590 -14.942 -10.761 383 HB3 PHE 54 HB1 PHE 54 10.462 -13.655 -10.331 384 HD1 PHE 54 HD1 PHE 54 10.682 -17.200 -9.145 385 HD2 PHE 54 HD2 PHE 54 10.953 -13.038 -8.119 386 HE1 PHE 54 HE1 PHE 54 10.901 -17.805 -6.751 387 HE2 PHE 54 HE2 PHE 54 11.172 -13.643 -5.724 388 HZ PHE 54 HZ PHE 54 11.146 -16.026 -5.039 389 H ARG 55 HN ARG 55 9.612 -15.634 -13.402 390 HA ARG 55 HA ARG 55 7.877 -13.271 -13.785 391 HB2 ARG 55 HB2 ARG 55 10.213 -14.370 -15.274 392 HB3 ARG 55 HB1 ARG 55 8.952 -13.558 -16.202 393 HG2 ARG 55 HG2 ARG 55 9.345 -11.505 -15.207 394 HG3 ARG 55 HG1 ARG 55 9.942 -12.225 -13.713 395 HD2 ARG 55 HD2 ARG 55 11.510 -12.662 -16.220 396 HD3 ARG 55 HD1 ARG 55 11.610 -11.089 -15.434 397 HE ARG 55 HE ARG 55 12.826 -13.500 -14.521 398 HH11 ARG 55 HH21 ARG 55 11.194 -10.632 -13.480 399 HH12 ARG 55 HH22 ARG 55 11.955 -10.597 -11.925 400 HH21 ARG 55 HH11 ARG 55 13.826 -13.463 -12.483 401 HH22 ARG 55 HH12 ARG 55 13.446 -12.200 -11.360 402 H LYS 56 HN LYS 56 7.682 -16.550 -13.769 403 HA LYS 56 HA LYS 56 5.712 -16.602 -15.974 404 HB2 LYS 56 HB2 LYS 56 6.507 -18.609 -16.615 405 HB3 LYS 56 HB1 LYS 56 7.906 -18.231 -15.618 406 HG2 LYS 56 HG2 LYS 56 6.714 -19.318 -13.669 407 HG3 LYS 56 HG1 LYS 56 5.463 -19.842 -14.803 408 HD2 LYS 56 HD2 LYS 56 7.988 -20.522 -15.936 409 HD3 LYS 56 HD1 LYS 56 7.986 -21.071 -14.261 410 HE2 LYS 56 HE2 LYS 56 7.060 -22.828 -15.674 411 HE3 LYS 56 HE1 LYS 56 5.777 -22.163 -14.663 412 HZ1 LYS 56 HZ1 LYS 56 5.927 -20.640 -17.002 413 HZ2 LYS 56 HZ2 LYS 56 4.660 -21.644 -16.481 414 HZ3 LYS 56 HZ3 LYS 56 5.901 -22.273 -17.457 415 H LYS 57 HN LYS 57 6.304 -17.218 -12.594 416 HA LYS 57 HA LYS 57 3.578 -18.259 -12.238 417 HB2 LYS 57 HB2 LYS 57 5.372 -19.503 -11.138 418 HB3 LYS 57 HB1 LYS 57 5.890 -18.045 -10.294 419 HG2 LYS 57 HG2 LYS 57 3.019 -18.682 -9.996 420 HG3 LYS 57 HG1 LYS 57 4.105 -19.873 -9.284 421 HD2 LYS 57 HD2 LYS 57 4.590 -16.953 -8.750 422 HD3 LYS 57 HD1 LYS 57 3.319 -17.793 -7.868 423 HE2 LYS 57 HE2 LYS 57 5.764 -17.749 -6.897 424 HE3 LYS 57 HE1 LYS 57 4.807 -19.225 -6.797 425 HZ1 LYS 57 HZ1 LYS 57 6.979 -19.741 -7.627 426 HZ2 LYS 57 HZ2 LYS 57 6.848 -18.572 -8.852 427 HZ3 LYS 57 HZ3 LYS 57 5.860 -19.952 -8.883 428 H GLY 58 HN GLY 58 5.596 -15.483 -11.583 429 HA2 GLY 58 HA2 GLY 58 3.585 -14.252 -9.854 430 HA3 GLY 58 HA1 GLY 58 5.170 -13.594 -10.247 431 H HIS 59 HN HIS 59 4.967 -13.875 -13.087 432 HA HIS 59 HA HIS 59 3.548 -11.467 -13.673 433 HB2 HIS 59 HB2 HIS 59 5.693 -12.629 -14.787 434 HB3 HIS 59 HB1 HIS 59 4.449 -13.226 -15.887 435 HD2 HIS 59 HD2 HIS 59 2.723 -10.198 -15.447 436 HE1 HIS 59 HE1 HIS 59 6.023 -8.802 -17.680 437 HE2 HIS 59 HE2 HIS 59 3.673 -8.245 -16.897 438 H HIS 60 HN HIS 60 2.801 -14.834 -13.775 439 HA HIS 60 HA HIS 60 0.649 -14.629 -15.681 440 HB2 HIS 60 HB2 HIS 60 1.877 -16.744 -15.326 441 HB3 HIS 60 HB1 HIS 60 1.269 -16.809 -13.673 442 HD2 HIS 60 HD2 HIS 60 -0.994 -15.915 -16.806 443 HE1 HIS 60 HE1 HIS 60 -2.448 -19.463 -15.039 444 HE2 HIS 60 HE2 HIS 60 -2.880 -17.722 -16.836 445 H HIS 61 HN HIS 61 0.409 -12.679 -13.659 446 HA HIS 61 HA HIS 61 -1.341 -13.413 -11.564 447 HB2 HIS 61 HB2 HIS 61 0.013 -11.176 -12.097 448 HB3 HIS 61 HB1 HIS 61 -1.547 -10.695 -12.764 449 HD2 HIS 61 HD2 HIS 61 -0.011 -10.057 -9.562 450 HE1 HIS 61 HE1 HIS 61 -3.876 -11.304 -8.410 451 HE2 HIS 61 HE2 HIS 61 -1.761 -10.137 -7.626 452 H HIS 62 HN HIS 62 -2.120 -11.618 -14.555 453 HA HIS 62 HA HIS 62 -4.553 -13.168 -14.907 454 HB2 HIS 62 HB2 HIS 62 -4.679 -10.801 -13.412 455 HB3 HIS 62 HB1 HIS 62 -5.269 -10.365 -15.015 456 HD2 HIS 62 HD2 HIS 62 -6.180 -12.978 -12.170 457 HE1 HIS 62 HE1 HIS 62 -9.477 -12.592 -14.779 458 HE2 HIS 62 HE2 HIS 62 -8.662 -13.652 -12.619 459 H HIS 63 HN HIS 63 -3.329 -9.967 -15.915 460 HA HIS 63 HA HIS 63 -3.740 -10.770 -18.717 461 HB2 HIS 63 HB2 HIS 63 -3.305 -8.050 -17.463 462 HB3 HIS 63 HB1 HIS 63 -3.509 -8.339 -19.191 463 HD2 HIS 63 HD2 HIS 63 -6.052 -10.463 -19.018 464 HE1 HIS 63 HE1 HIS 63 -7.987 -7.366 -16.900 465 HE2 HIS 63 HE2 HIS 63 -8.342 -9.529 -18.182 466 H HIS 64 HN HIS 64 -1.544 -11.920 -17.421 467 HA HIS 64 HA HIS 64 0.755 -12.130 -17.500 468 HB2 HIS 64 HB2 HIS 64 -0.069 -12.534 -19.884 469 HB3 HIS 64 HB1 HIS 64 0.472 -10.893 -20.237 470 HD2 HIS 64 HD2 HIS 64 3.169 -10.737 -20.835 471 HE1 HIS 64 HE1 HIS 64 4.338 -14.477 -19.263 472 HE2 HIS 64 HE2 HIS 64 5.137 -12.427 -20.531 Start of MODEL 39 1 H1 MET 1 HT1 MET 1 45.033 -17.669 17.729 2 H2 MET 1 HT2 MET 1 45.881 -18.525 18.927 3 H3 MET 1 HT3 MET 1 46.126 -16.854 18.739 4 HA MET 1 HA MET 1 43.750 -18.251 19.809 5 HB2 MET 1 HB2 MET 1 45.394 -15.940 20.879 6 HB3 MET 1 HB1 MET 1 44.147 -16.843 21.741 7 HG2 MET 1 HG2 MET 1 45.752 -18.889 21.013 8 HG3 MET 1 HG1 MET 1 46.955 -17.604 21.127 9 HE1 MET 1 HE1 MET 1 47.949 -18.271 24.556 10 HE2 MET 1 HE2 MET 1 48.223 -17.322 23.098 11 HE3 MET 1 HE3 MET 1 48.103 -19.076 22.989 12 H GLU 2 HN GLU 2 42.185 -16.443 20.673 13 HA GLU 2 HA GLU 2 41.549 -14.743 18.355 14 HB2 GLU 2 HB2 GLU 2 39.839 -15.644 20.686 15 HB3 GLU 2 HB1 GLU 2 39.285 -14.617 19.363 16 HG2 GLU 2 HG2 GLU 2 40.613 -17.205 18.674 17 HG3 GLU 2 HG1 GLU 2 38.957 -17.256 19.277 18 H GLU 3 HN GLU 3 43.204 -13.184 18.998 19 HA GLU 3 HA GLU 3 43.264 -11.822 21.442 20 HB2 GLU 3 HB2 GLU 3 44.297 -11.388 18.726 21 HB3 GLU 3 HB1 GLU 3 43.999 -9.899 19.625 22 HG2 GLU 3 HG2 GLU 3 45.396 -10.631 21.446 23 HG3 GLU 3 HG1 GLU 3 45.544 -12.245 20.754 24 H GLY 4 HN GLY 4 42.841 -9.271 21.354 25 HA2 GLY 4 HA2 GLY 4 39.948 -9.013 20.902 26 HA3 GLY 4 HA1 GLY 4 40.930 -7.982 21.940 27 H GLY 5 HN GLY 5 42.681 -6.725 20.714 28 HA2 GLY 5 HA2 GLY 5 41.416 -5.067 18.786 29 HA3 GLY 5 HA1 GLY 5 43.116 -5.004 19.245 30 H ASP 6 HN ASP 6 41.267 -5.281 16.644 31 HA ASP 6 HA ASP 6 43.334 -6.578 15.091 32 HB2 ASP 6 HB2 ASP 6 42.036 -8.523 15.863 33 HB3 ASP 6 HB1 ASP 6 40.567 -7.801 15.210 34 H PHE 7 HN PHE 7 42.599 -3.989 14.957 35 HA PHE 7 HA PHE 7 40.491 -3.232 13.317 36 HB2 PHE 7 HB2 PHE 7 42.361 -1.836 14.551 37 HB3 PHE 7 HB1 PHE 7 43.148 -1.903 12.974 38 HD1 PHE 7 HD2 PHE 7 39.897 -1.060 14.620 39 HD2 PHE 7 HD1 PHE 7 42.480 -0.454 11.243 40 HE1 PHE 7 HE2 PHE 7 38.393 0.728 13.791 41 HE2 PHE 7 HE1 PHE 7 40.976 1.334 10.413 42 HZ PHE 7 HZ PHE 7 38.932 1.925 11.687 43 H ASP 8 HN ASP 8 40.029 -4.424 11.534 44 HA ASP 8 HA ASP 8 42.033 -4.391 9.374 45 HB2 ASP 8 HB2 ASP 8 41.691 -6.666 10.703 46 HB3 ASP 8 HB1 ASP 8 40.286 -6.795 9.646 47 H ASN 9 HN ASN 9 39.104 -3.413 10.372 48 HA ASN 9 HA ASN 9 37.081 -2.915 9.360 49 HB2 ASN 9 HB2 ASN 9 38.839 -1.338 8.369 50 HB3 ASN 9 HB1 ASN 9 38.797 -2.370 6.940 51 HD21 ASN 9 HD21 ASN 9 35.837 -2.934 7.418 52 HD22 ASN 9 HD22 ASN 9 35.048 -1.527 6.887 53 H TYR 10 HN TYR 10 37.312 -3.145 6.194 54 HA TYR 10 HA TYR 10 36.239 -4.543 4.700 55 HB2 TYR 10 HB2 TYR 10 38.690 -5.540 5.399 56 HB3 TYR 10 HB1 TYR 10 37.647 -6.927 5.708 57 HD1 TYR 10 HD1 TYR 10 35.540 -6.646 3.699 58 HD2 TYR 10 HD2 TYR 10 39.764 -5.944 3.352 59 HE1 TYR 10 HE1 TYR 10 35.413 -7.088 1.262 60 HE2 TYR 10 HE2 TYR 10 39.637 -6.386 0.916 61 HH TYR 10 HH TYR 10 37.265 -7.947 -0.547 62 H TYR 11 HN TYR 11 34.780 -4.181 7.100 63 HA TYR 11 HA TYR 11 33.135 -5.135 8.417 64 HB2 TYR 11 HB2 TYR 11 32.762 -6.547 5.768 65 HB3 TYR 11 HB1 TYR 11 31.591 -6.603 7.087 66 HD1 TYR 11 HD1 TYR 11 33.495 -4.206 4.932 67 HD2 TYR 11 HD2 TYR 11 30.002 -4.888 7.338 68 HE1 TYR 11 HE1 TYR 11 32.568 -2.025 4.204 69 HE2 TYR 11 HE2 TYR 11 29.075 -2.706 6.609 70 HH TYR 11 HH TYR 11 29.585 -1.179 4.279 71 H GLY 12 HN GLY 12 35.599 -6.294 8.960 72 HA2 GLY 12 HA2 GLY 12 36.622 -8.198 9.782 73 HA3 GLY 12 HA1 GLY 12 35.017 -8.532 10.428 74 H ALA 13 HN ALA 13 36.743 -8.707 7.306 75 HA ALA 13 HA ALA 13 35.698 -11.442 6.966 76 HB1 ALA 13 HB1 ALA 13 35.763 -9.433 4.711 77 HB2 ALA 13 HB2 ALA 13 34.320 -9.739 5.679 78 HB3 ALA 13 HB3 ALA 13 35.026 -11.036 4.715 79 H ASP 14 HN ASP 14 38.067 -8.979 6.123 80 HA ASP 14 HA ASP 14 39.738 -10.834 4.652 81 HB2 ASP 14 HB2 ASP 14 39.779 -7.940 5.300 82 HB3 ASP 14 HB1 ASP 14 41.345 -8.710 5.058 83 H ASN 15 HN ASN 15 39.626 -9.398 7.867 84 HA ASN 15 HA ASN 15 42.141 -9.999 8.841 85 HB2 ASN 15 HB2 ASN 15 40.960 -8.895 10.447 86 HB3 ASN 15 HB1 ASN 15 39.446 -9.697 10.033 87 HD21 ASN 15 HD21 ASN 15 38.776 -11.318 11.455 88 HD22 ASN 15 HD22 ASN 15 39.781 -12.081 12.591 89 H GLN 16 HN GLN 16 39.492 -12.149 8.121 90 HA GLN 16 HA GLN 16 40.840 -14.409 9.417 91 HB2 GLN 16 HB2 GLN 16 38.776 -15.659 8.712 92 HB3 GLN 16 HB1 GLN 16 38.462 -14.301 9.794 93 HG2 GLN 16 HG2 GLN 16 37.800 -12.895 7.935 94 HG3 GLN 16 HG1 GLN 16 38.278 -14.133 6.774 95 HE21 GLN 16 HE21 GLN 16 36.527 -14.741 9.832 96 HE22 GLN 16 HE22 GLN 16 35.109 -15.304 9.089 97 H SER 17 HN SER 17 40.777 -12.859 6.437 98 HA SER 17 HA SER 17 41.172 -15.254 4.827 99 HB2 SER 17 HB2 SER 17 41.145 -13.819 2.951 100 HB3 SER 17 HB1 SER 17 39.965 -13.123 4.057 101 HG SER 17 HG SER 17 41.700 -11.727 3.047 102 H GLU 18 HN GLU 18 43.061 -12.376 5.754 103 HA GLU 18 HA GLU 18 45.451 -12.822 4.541 104 HB2 GLU 18 HB2 GLU 18 45.123 -12.034 7.446 105 HB3 GLU 18 HB1 GLU 18 46.534 -11.720 6.435 106 HG2 GLU 18 HG2 GLU 18 45.205 -10.320 4.945 107 HG3 GLU 18 HG1 GLU 18 43.742 -10.698 5.850 108 H CYS 19 HN CYS 19 44.018 -14.719 7.079 109 HA CYS 19 HA CYS 19 46.417 -16.131 7.802 110 HB2 CYS 19 HB2 CYS 19 43.554 -16.224 8.521 111 HB3 CYS 19 HB1 CYS 19 44.405 -17.764 8.620 112 HG CYS 19 HG CYS 19 46.144 -15.774 9.961 113 H GLU 20 HN GLU 20 43.654 -16.753 5.674 114 HA GLU 20 HA GLU 20 44.871 -19.278 4.800 115 HB2 GLU 20 HB2 GLU 20 42.784 -19.888 3.975 116 HB3 GLU 20 HB1 GLU 20 42.342 -18.902 5.369 117 HG2 GLU 20 HG2 GLU 20 42.364 -16.920 3.678 118 HG3 GLU 20 HG1 GLU 20 42.259 -18.178 2.449 119 H TYR 21 HN TYR 21 45.138 -16.102 4.034 120 HA TYR 21 HA TYR 21 44.930 -16.134 1.190 121 HB2 TYR 21 HB2 TYR 21 44.847 -14.043 2.464 122 HB3 TYR 21 HB1 TYR 21 46.504 -14.299 3.012 123 HD1 TYR 21 HD1 TYR 21 48.381 -14.325 1.343 124 HD2 TYR 21 HD2 TYR 21 44.378 -13.184 0.282 125 HE1 TYR 21 HE1 TYR 21 49.233 -13.260 -0.727 126 HE2 TYR 21 HE2 TYR 21 45.231 -12.120 -1.789 127 HH TYR 21 HH TYR 21 48.581 -11.577 -2.330 128 H THR 22 HN THR 22 47.474 -16.907 3.474 129 HA THR 22 HA THR 22 49.552 -17.028 1.471 130 HB THR 22 HB THR 22 50.759 -18.231 3.437 131 HG1 THR 22 HG1 THR 22 48.898 -18.698 4.622 132 HG21 THR 22 HG21 THR 22 51.164 -16.043 4.528 133 HG22 THR 22 HG22 THR 22 49.774 -15.374 3.671 134 HG23 THR 22 HG23 THR 22 51.191 -15.910 2.769 135 H ASP 23 HN ASP 23 47.058 -19.089 2.544 136 HA ASP 23 HA ASP 23 48.439 -21.515 1.626 137 HB2 ASP 23 HB2 ASP 23 46.389 -20.949 3.568 138 HB3 ASP 23 HB1 ASP 23 45.795 -22.123 2.394 139 H TRP 24 HN TRP 24 45.303 -19.876 1.129 140 HA TRP 24 HA TRP 24 44.260 -21.316 -0.935 141 HB2 TRP 24 HB2 TRP 24 42.825 -19.618 -0.473 142 HB3 TRP 24 HB1 TRP 24 44.126 -18.478 -0.125 143 HD1 TRP 24 HD1 TRP 24 42.214 -20.022 -3.073 144 HE1 TRP 24 HE1 TRP 24 42.470 -18.471 -5.117 145 HE3 TRP 24 HE3 TRP 24 45.535 -16.629 -1.194 146 HZ2 TRP 24 HZ2 TRP 24 43.895 -16.105 -5.857 147 HZ3 TRP 24 HZ3 TRP 24 46.325 -14.738 -2.588 148 HH2 TRP 24 HH2 TRP 24 45.510 -14.471 -4.914 149 H LYS 25 HN LYS 25 46.742 -18.789 -1.192 150 HA LYS 25 HA LYS 25 46.997 -18.592 -3.933 151 HB2 LYS 25 HB2 LYS 25 48.274 -17.324 -2.113 152 HB3 LYS 25 HB1 LYS 25 49.387 -18.693 -2.095 153 HG2 LYS 25 HG2 LYS 25 49.662 -18.395 -4.586 154 HG3 LYS 25 HG1 LYS 25 48.728 -16.904 -4.450 155 HD2 LYS 25 HD2 LYS 25 50.399 -16.128 -2.714 156 HD3 LYS 25 HD1 LYS 25 51.383 -17.531 -3.135 157 HE2 LYS 25 HE2 LYS 25 52.285 -16.262 -4.769 158 HE3 LYS 25 HE1 LYS 25 50.735 -16.398 -5.600 159 HZ1 LYS 25 HZ1 LYS 25 50.946 -14.388 -3.498 160 HZ2 LYS 25 HZ2 LYS 25 50.107 -14.333 -4.974 161 HZ3 LYS 25 HZ3 LYS 25 51.786 -14.078 -4.937 162 H SER 26 HN SER 26 48.133 -21.137 -1.791 163 HA SER 26 HA SER 26 49.426 -22.520 -4.038 164 HB2 SER 26 HB2 SER 26 50.721 -22.406 -1.982 165 HB3 SER 26 HB1 SER 26 49.391 -23.113 -1.070 166 HG SER 26 HG SER 26 50.085 -24.577 -3.265 167 H SER 27 HN SER 27 46.750 -22.807 -1.769 168 HA SER 27 HA SER 27 45.987 -25.414 -2.851 169 HB2 SER 27 HB2 SER 27 44.730 -23.699 -0.697 170 HB3 SER 27 HB1 SER 27 44.184 -25.310 -1.155 171 HG SER 27 HG SER 27 45.976 -24.765 0.610 172 H GLY 28 HN GLY 28 45.840 -22.626 -4.229 173 HA2 GLY 28 HA2 GLY 28 42.989 -22.385 -4.767 174 HA3 GLY 28 HA1 GLY 28 44.270 -21.377 -5.437 175 H ALA 29 HN ALA 29 45.534 -24.263 -5.908 176 HA ALA 29 HA ALA 29 44.500 -24.454 -8.644 177 HB1 ALA 29 HB1 ALA 29 46.477 -25.601 -9.185 178 HB2 ALA 29 HB2 ALA 29 46.762 -26.085 -7.512 179 HB3 ALA 29 HB3 ALA 29 47.008 -24.408 -7.999 180 H LEU 30 HN LEU 30 42.688 -25.278 -6.719 181 HA LEU 30 HA LEU 30 42.053 -27.899 -7.610 182 HB2 LEU 30 HB2 LEU 30 42.292 -29.118 -5.500 183 HB3 LEU 30 HB1 LEU 30 43.858 -28.515 -6.043 184 HG LEU 30 HG LEU 30 42.849 -26.419 -4.521 185 HD11 LEU 30 HD11 LEU 30 41.058 -27.897 -3.681 186 HD12 LEU 30 HD12 LEU 30 42.185 -27.475 -2.391 187 HD13 LEU 30 HD13 LEU 30 42.271 -29.063 -3.151 188 HD21 LEU 30 HD21 LEU 30 44.748 -28.685 -3.863 189 HD22 LEU 30 HD22 LEU 30 44.548 -27.271 -2.830 190 HD23 LEU 30 HD23 LEU 30 45.159 -27.083 -4.472 191 H ILE 31 HN ILE 31 41.558 -25.238 -5.390 192 HA ILE 31 HA ILE 31 39.009 -26.112 -4.442 193 HB ILE 31 HB ILE 31 40.533 -23.530 -4.295 194 HG12 ILE 31 HG12 ILE 31 39.291 -25.261 -2.145 195 HG13 ILE 31 HG11 ILE 31 40.920 -25.530 -2.767 196 HG21 ILE 31 HG21 ILE 31 37.611 -24.011 -3.737 197 HG22 ILE 31 HG22 ILE 31 38.365 -22.651 -4.569 198 HG23 ILE 31 HG23 ILE 31 38.519 -22.809 -2.820 199 HD11 ILE 31 HD11 ILE 31 40.275 -23.828 -0.686 200 HD12 ILE 31 HD12 ILE 31 40.407 -22.729 -2.059 201 HD13 ILE 31 HD13 ILE 31 41.766 -23.767 -1.626 202 HA PRO 32 HA PRO 32 37.546 -22.898 -7.866 203 HB2 PRO 32 HB2 PRO 32 39.292 -23.876 -10.060 204 HB3 PRO 32 HB1 PRO 32 38.795 -22.220 -9.665 205 HG2 PRO 32 HG2 PRO 32 41.272 -23.091 -9.199 206 HG3 PRO 32 HG1 PRO 32 40.461 -21.947 -8.115 207 HD2 PRO 32 HD2 PRO 32 40.946 -24.877 -7.740 208 HD3 PRO 32 HD1 PRO 32 40.956 -23.570 -6.540 209 H ALA 33 HN ALA 33 38.732 -26.162 -8.489 210 HA ALA 33 HA ALA 33 36.969 -27.007 -10.463 211 HB1 ALA 33 HB1 ALA 33 38.209 -28.842 -10.127 212 HB2 ALA 33 HB2 ALA 33 37.253 -29.173 -8.682 213 HB3 ALA 33 HB3 ALA 33 38.746 -28.242 -8.557 214 H ILE 34 HN ILE 34 36.562 -27.763 -6.996 215 HA ILE 34 HA ILE 34 33.934 -28.613 -7.103 216 HB ILE 34 HB ILE 34 35.608 -27.356 -4.960 217 HG12 ILE 34 HG12 ILE 34 35.530 -29.858 -5.834 218 HG13 ILE 34 HG11 ILE 34 35.692 -29.516 -4.113 219 HG21 ILE 34 HG21 ILE 34 33.533 -26.423 -4.333 220 HG22 ILE 34 HG22 ILE 34 33.601 -27.929 -3.419 221 HG23 ILE 34 HG23 ILE 34 32.629 -27.831 -4.889 222 HD11 ILE 34 HD11 ILE 34 33.901 -31.245 -4.834 223 HD12 ILE 34 HD12 ILE 34 32.972 -29.850 -5.379 224 HD13 ILE 34 HD13 ILE 34 33.422 -30.003 -3.680 225 H TYR 35 HN TYR 35 35.176 -25.316 -6.713 226 HA TYR 35 HA TYR 35 32.757 -23.993 -6.255 227 HB2 TYR 35 HB2 TYR 35 35.455 -23.274 -6.866 228 HB3 TYR 35 HB1 TYR 35 34.379 -22.341 -7.907 229 HD1 TYR 35 HD2 TYR 35 34.906 -23.357 -4.348 230 HD2 TYR 35 HD1 TYR 35 33.183 -20.500 -7.053 231 HE1 TYR 35 HE2 TYR 35 34.306 -21.904 -2.430 232 HE2 TYR 35 HE1 TYR 35 32.584 -19.046 -5.134 233 HH TYR 35 HH TYR 35 32.887 -20.136 -1.838 234 H MET 36 HN MET 36 34.453 -24.450 -9.365 235 HA MET 36 HA MET 36 32.398 -23.380 -10.972 236 HB2 MET 36 HB2 MET 36 34.825 -25.040 -11.427 237 HB3 MET 36 HB1 MET 36 33.603 -25.031 -12.700 238 HG2 MET 36 HG2 MET 36 34.680 -22.494 -11.450 239 HG3 MET 36 HG1 MET 36 35.390 -23.226 -12.890 240 HE1 MET 36 HE1 MET 36 32.642 -21.046 -11.399 241 HE2 MET 36 HE2 MET 36 32.378 -20.134 -12.884 242 HE3 MET 36 HE3 MET 36 34.016 -20.347 -12.268 243 H LEU 37 HN LEU 37 33.298 -26.800 -10.460 244 HA LEU 37 HA LEU 37 31.249 -28.026 -11.825 245 HB2 LEU 37 HB2 LEU 37 33.096 -29.262 -10.787 246 HB3 LEU 37 HB1 LEU 37 32.451 -28.898 -9.186 247 HG LEU 37 HG LEU 37 30.446 -30.063 -10.975 248 HD11 LEU 37 HD11 LEU 37 31.430 -32.369 -10.815 249 HD12 LEU 37 HD12 LEU 37 32.938 -31.638 -10.266 250 HD13 LEU 37 HD13 LEU 37 32.330 -31.295 -11.885 251 HD21 LEU 37 HD21 LEU 37 30.294 -29.742 -8.480 252 HD22 LEU 37 HD22 LEU 37 31.539 -30.977 -8.297 253 HD23 LEU 37 HD23 LEU 37 29.979 -31.397 -9.003 254 H VAL 38 HN VAL 38 31.100 -26.314 -8.797 255 HA VAL 38 HA VAL 38 28.382 -27.278 -8.263 256 HB VAL 38 HB VAL 38 30.312 -25.567 -6.692 257 HG11 VAL 38 HG11 VAL 38 28.235 -24.590 -6.155 258 HG12 VAL 38 HG12 VAL 38 28.440 -25.821 -4.909 259 HG13 VAL 38 HG13 VAL 38 27.378 -26.126 -6.284 260 HG21 VAL 38 HG21 VAL 38 28.977 -28.202 -6.014 261 HG22 VAL 38 HG22 VAL 38 30.315 -27.430 -5.165 262 HG23 VAL 38 HG23 VAL 38 30.562 -28.093 -6.780 263 H PHE 39 HN PHE 39 30.080 -24.533 -9.528 264 HA PHE 39 HA PHE 39 27.923 -22.654 -9.198 265 HB2 PHE 39 HB2 PHE 39 30.375 -22.053 -9.409 266 HB3 PHE 39 HB1 PHE 39 30.246 -22.459 -11.120 267 HD1 PHE 39 HD1 PHE 39 28.589 -21.221 -12.567 268 HD2 PHE 39 HD2 PHE 39 29.529 -19.991 -8.561 269 HE1 PHE 39 HE1 PHE 39 27.634 -18.979 -13.032 270 HE2 PHE 39 HE2 PHE 39 28.575 -17.750 -9.025 271 HZ PHE 39 HZ PHE 39 27.627 -17.243 -11.260 272 H LEU 40 HN LEU 40 29.377 -24.192 -12.078 273 HA LEU 40 HA LEU 40 27.325 -23.388 -13.854 274 HB2 LEU 40 HB2 LEU 40 28.284 -25.068 -15.384 275 HB3 LEU 40 HB1 LEU 40 29.542 -24.078 -14.642 276 HG LEU 40 HG LEU 40 29.253 -26.145 -12.829 277 HD11 LEU 40 HD11 LEU 40 29.102 -27.283 -15.638 278 HD12 LEU 40 HD12 LEU 40 27.798 -27.341 -14.452 279 HD13 LEU 40 HD13 LEU 40 29.302 -28.211 -14.151 280 HD21 LEU 40 HD21 LEU 40 31.395 -26.985 -13.925 281 HD22 LEU 40 HD22 LEU 40 31.394 -25.276 -13.489 282 HD23 LEU 40 HD23 LEU 40 31.142 -25.759 -15.166 283 H LEU 41 HN LEU 41 27.052 -25.362 -11.269 284 HA LEU 41 HA LEU 41 25.207 -27.264 -12.545 285 HB2 LEU 41 HB2 LEU 41 26.957 -27.341 -10.236 286 HB3 LEU 41 HB1 LEU 41 25.310 -27.793 -9.798 287 HG LEU 41 HG LEU 41 26.788 -28.960 -12.171 288 HD11 LEU 41 HD11 LEU 41 27.952 -30.195 -10.689 289 HD12 LEU 41 HD12 LEU 41 26.424 -30.919 -10.186 290 HD13 LEU 41 HD13 LEU 41 27.055 -29.507 -9.336 291 HD21 LEU 41 HD21 LEU 41 24.693 -30.562 -10.974 292 HD22 LEU 41 HD22 LEU 41 24.828 -29.979 -12.632 293 HD23 LEU 41 HD23 LEU 41 24.072 -28.968 -11.401 294 H GLY 42 HN GLY 42 25.218 -25.436 -9.477 295 HA2 GLY 42 HA2 GLY 42 22.304 -25.222 -9.615 296 HA3 GLY 42 HA1 GLY 42 23.314 -24.819 -8.230 297 H THR 43 HN THR 43 24.540 -23.585 -11.137 298 HA THR 43 HA THR 43 23.158 -21.003 -10.790 299 HB THR 43 HB THR 43 26.017 -20.787 -11.437 300 HG1 THR 43 HG1 THR 43 25.815 -22.519 -9.812 301 HG21 THR 43 HG21 THR 43 24.507 -18.873 -10.992 302 HG22 THR 43 HG22 THR 43 25.842 -18.933 -9.842 303 HG23 THR 43 HG23 THR 43 24.237 -19.483 -9.360 304 H THR 44 HN THR 44 22.875 -23.129 -12.765 305 HA THR 44 HA THR 44 23.532 -21.549 -15.168 306 HB THR 44 HB THR 44 24.078 -24.467 -14.673 307 HG1 THR 44 HG1 THR 44 25.477 -22.194 -15.050 308 HG21 THR 44 HG21 THR 44 23.441 -23.062 -17.257 309 HG22 THR 44 HG22 THR 44 22.885 -24.636 -16.687 310 HG23 THR 44 HG23 THR 44 24.549 -24.434 -17.234 311 H GLY 45 HN GLY 45 21.708 -24.354 -13.944 312 HA2 GLY 45 HA2 GLY 45 19.498 -23.643 -15.779 313 HA3 GLY 45 HA1 GLY 45 19.795 -25.258 -15.142 314 H ASN 46 HN ASN 46 20.440 -23.173 -12.683 315 HA ASN 46 HA ASN 46 17.766 -23.579 -11.516 316 HB2 ASN 46 HB2 ASN 46 20.517 -23.256 -10.363 317 HB3 ASN 46 HB1 ASN 46 19.099 -22.899 -9.379 318 HD21 ASN 46 HD21 ASN 46 20.879 -25.491 -10.992 319 HD22 ASN 46 HD22 ASN 46 19.998 -26.766 -10.300 320 H GLY 47 HN GLY 47 20.362 -21.129 -11.342 321 HA2 GLY 47 HA2 GLY 47 18.859 -19.023 -10.348 322 HA3 GLY 47 HA1 GLY 47 20.276 -18.827 -11.377 323 H LEU 48 HN LEU 48 19.343 -20.012 -13.725 324 HA LEU 48 HA LEU 48 17.977 -17.886 -14.948 325 HB2 LEU 48 HB2 LEU 48 19.406 -19.555 -16.141 326 HB3 LEU 48 HB1 LEU 48 18.137 -20.754 -15.905 327 HG LEU 48 HG LEU 48 16.549 -19.283 -17.142 328 HD11 LEU 48 HD11 LEU 48 17.250 -17.086 -17.029 329 HD12 LEU 48 HD12 LEU 48 17.941 -17.520 -18.592 330 HD13 LEU 48 HD13 LEU 48 18.957 -17.511 -17.152 331 HD21 LEU 48 HD21 LEU 48 18.441 -19.372 -19.254 332 HD22 LEU 48 HD22 LEU 48 17.196 -20.562 -18.877 333 HD23 LEU 48 HD23 LEU 48 18.810 -20.726 -18.186 334 H VAL 49 HN VAL 49 16.801 -21.120 -14.011 335 HA VAL 49 HA VAL 49 14.126 -20.745 -14.784 336 HB VAL 49 HB VAL 49 15.480 -22.547 -12.793 337 HG11 VAL 49 HG11 VAL 49 13.119 -23.669 -12.766 338 HG12 VAL 49 HG12 VAL 49 12.537 -22.065 -13.211 339 HG13 VAL 49 HG13 VAL 49 13.417 -22.296 -11.700 340 HG21 VAL 49 HG21 VAL 49 13.752 -23.480 -15.034 341 HG22 VAL 49 HG22 VAL 49 15.285 -24.130 -14.451 342 HG23 VAL 49 HG23 VAL 49 15.269 -22.698 -15.481 343 H LEU 50 HN LEU 50 15.319 -20.805 -11.421 344 HA LEU 50 HA LEU 50 13.129 -19.756 -10.151 345 HB2 LEU 50 HB2 LEU 50 16.008 -19.079 -9.499 346 HB3 LEU 50 HB1 LEU 50 14.640 -19.005 -8.390 347 HG LEU 50 HG LEU 50 15.631 -21.515 -9.774 348 HD11 LEU 50 HD11 LEU 50 17.066 -21.756 -8.060 349 HD12 LEU 50 HD12 LEU 50 15.747 -21.581 -6.903 350 HD13 LEU 50 HD13 LEU 50 16.609 -20.155 -7.480 351 HD21 LEU 50 HD21 LEU 50 14.082 -22.452 -7.837 352 HD22 LEU 50 HD22 LEU 50 13.381 -21.955 -9.377 353 HD23 LEU 50 HD23 LEU 50 13.307 -20.875 -7.986 354 H TRP 51 HN TRP 51 15.392 -18.105 -12.208 355 HA TRP 51 HA TRP 51 14.564 -15.451 -11.381 356 HB2 TRP 51 HB2 TRP 51 16.841 -15.703 -12.122 357 HB3 TRP 51 HB1 TRP 51 16.320 -16.442 -13.637 358 HD1 TRP 51 HD1 TRP 51 16.638 -13.101 -11.873 359 HE1 TRP 51 HE1 TRP 51 16.177 -11.207 -13.561 360 HE3 TRP 51 HE3 TRP 51 14.995 -15.842 -15.856 361 HZ2 TRP 51 HZ2 TRP 51 15.239 -10.894 -16.245 362 HZ3 TRP 51 HZ3 TRP 51 14.325 -14.724 -17.963 363 HH2 TRP 51 HH2 TRP 51 14.445 -12.255 -18.162 364 H THR 52 HN THR 52 14.141 -17.528 -14.242 365 HA THR 52 HA THR 52 12.494 -15.697 -15.664 366 HB THR 52 HB THR 52 13.074 -18.634 -15.888 367 HG1 THR 52 HG1 THR 52 14.147 -17.964 -17.617 368 HG21 THR 52 HG21 THR 52 10.806 -18.693 -16.500 369 HG22 THR 52 HG22 THR 52 11.627 -18.430 -18.039 370 HG23 THR 52 HG23 THR 52 10.860 -17.077 -17.207 371 H VAL 53 HN VAL 53 11.773 -18.498 -13.598 372 HA VAL 53 HA VAL 53 8.989 -18.501 -13.887 373 HB VAL 53 HB VAL 53 10.767 -19.339 -11.595 374 HG11 VAL 53 HG11 VAL 53 8.502 -20.682 -11.112 375 HG12 VAL 53 HG12 VAL 53 7.793 -19.244 -11.847 376 HG13 VAL 53 HG13 VAL 53 8.804 -19.093 -10.410 377 HG21 VAL 53 HG21 VAL 53 9.137 -20.974 -13.559 378 HG22 VAL 53 HG22 VAL 53 10.369 -21.561 -12.442 379 HG23 VAL 53 HG23 VAL 53 10.832 -20.560 -13.818 380 H PHE 54 HN PHE 54 11.017 -16.851 -11.467 381 HA PHE 54 HA PHE 54 8.992 -15.681 -9.953 382 HB2 PHE 54 HB2 PHE 54 11.848 -15.043 -10.506 383 HB3 PHE 54 HB1 PHE 54 10.858 -13.780 -9.769 384 HD1 PHE 54 HD2 PHE 54 10.780 -17.510 -9.408 385 HD2 PHE 54 HD1 PHE 54 11.372 -13.715 -7.482 386 HE1 PHE 54 HE2 PHE 54 10.953 -18.651 -7.212 387 HE2 PHE 54 HE1 PHE 54 11.545 -14.856 -5.287 388 HZ PHE 54 HZ PHE 54 11.336 -17.324 -5.152 389 H ARG 55 HN ARG 55 9.962 -15.028 -13.174 390 HA ARG 55 HA ARG 55 8.623 -12.405 -13.172 391 HB2 ARG 55 HB2 ARG 55 10.688 -13.720 -14.865 392 HB3 ARG 55 HB1 ARG 55 9.580 -12.613 -15.672 393 HG2 ARG 55 HG2 ARG 55 10.376 -10.766 -14.542 394 HG3 ARG 55 HG1 ARG 55 10.783 -11.691 -13.099 395 HD2 ARG 55 HD2 ARG 55 12.317 -12.237 -15.608 396 HD3 ARG 55 HD1 ARG 55 12.683 -10.774 -14.700 397 HE ARG 55 HE ARG 55 13.396 -13.431 -13.953 398 HH11 ARG 55 HH21 ARG 55 12.311 -10.379 -12.735 399 HH12 ARG 55 HH22 ARG 55 13.003 -10.604 -11.163 400 HH21 ARG 55 HH11 ARG 55 14.298 -13.738 -11.891 401 HH22 ARG 55 HH12 ARG 55 14.127 -12.506 -10.685 402 H LYS 56 HN LYS 56 7.990 -15.637 -13.799 403 HA LYS 56 HA LYS 56 5.884 -14.975 -15.761 404 HB2 LYS 56 HB2 LYS 56 6.208 -16.995 -16.739 405 HB3 LYS 56 HB1 LYS 56 7.774 -16.923 -15.937 406 HG2 LYS 56 HG2 LYS 56 6.682 -18.089 -13.948 407 HG3 LYS 56 HG1 LYS 56 5.276 -18.356 -14.980 408 HD2 LYS 56 HD2 LYS 56 8.021 -19.201 -15.899 409 HD3 LYS 56 HD1 LYS 56 7.070 -20.231 -14.836 410 HE2 LYS 56 HE2 LYS 56 5.198 -20.156 -16.466 411 HE3 LYS 56 HE1 LYS 56 6.199 -19.185 -17.545 412 HZ1 LYS 56 HZ1 LYS 56 6.104 -21.765 -17.780 413 HZ2 LYS 56 HZ2 LYS 56 7.262 -21.725 -16.538 414 HZ3 LYS 56 HZ3 LYS 56 7.563 -20.934 -18.011 415 H LYS 57 HN LYS 57 6.525 -16.061 -12.553 416 HA LYS 57 HA LYS 57 3.787 -16.977 -12.123 417 HB2 LYS 57 HB2 LYS 57 5.984 -17.960 -11.071 418 HB3 LYS 57 HB1 LYS 57 5.806 -16.627 -9.929 419 HG2 LYS 57 HG2 LYS 57 3.490 -17.376 -9.442 420 HG3 LYS 57 HG1 LYS 57 3.715 -18.739 -10.541 421 HD2 LYS 57 HD2 LYS 57 5.831 -19.227 -9.067 422 HD3 LYS 57 HD1 LYS 57 5.001 -18.230 -7.871 423 HE2 LYS 57 HE2 LYS 57 4.027 -20.796 -9.141 424 HE3 LYS 57 HE1 LYS 57 4.313 -20.475 -7.431 425 HZ1 LYS 57 HZ1 LYS 57 2.023 -19.849 -9.062 426 HZ2 LYS 57 HZ2 LYS 57 2.555 -18.548 -8.108 427 HZ3 LYS 57 HZ3 LYS 57 2.141 -20.026 -7.379 428 H GLY 58 HN GLY 58 5.811 -14.195 -11.618 429 HA2 GLY 58 HA2 GLY 58 4.575 -12.797 -9.595 430 HA3 GLY 58 HA1 GLY 58 5.243 -12.034 -11.040 431 H HIS 59 HN HIS 59 3.716 -12.847 -13.021 432 HA HIS 59 HA HIS 59 0.928 -12.780 -12.506 433 HB2 HIS 59 HB2 HIS 59 1.129 -10.508 -11.954 434 HB3 HIS 59 HB1 HIS 59 2.371 -10.229 -13.168 435 HD2 HIS 59 HD2 HIS 59 1.417 -9.455 -15.655 436 HE1 HIS 59 HE1 HIS 59 -2.698 -9.941 -14.836 437 HE2 HIS 59 HE2 HIS 59 -1.018 -9.088 -16.538 438 H HIS 60 HN HIS 60 3.189 -14.012 -14.144 439 HA HIS 60 HA HIS 60 3.620 -14.692 -16.312 440 HB2 HIS 60 HB2 HIS 60 1.679 -16.058 -15.590 441 HB3 HIS 60 HB1 HIS 60 0.598 -14.851 -16.286 442 HD2 HIS 60 HD2 HIS 60 3.461 -17.270 -17.640 443 HE1 HIS 60 HE1 HIS 60 0.777 -16.398 -20.780 444 HE2 HIS 60 HE2 HIS 60 2.829 -17.744 -20.129 445 H HIS 61 HN HIS 61 3.352 -11.808 -15.995 446 HA HIS 61 HA HIS 61 1.773 -10.522 -17.866 447 HB2 HIS 61 HB2 HIS 61 3.714 -9.714 -16.163 448 HB3 HIS 61 HB1 HIS 61 4.569 -9.568 -17.698 449 HD2 HIS 61 HD2 HIS 61 3.140 -6.974 -15.844 450 HE1 HIS 61 HE1 HIS 61 0.986 -6.498 -19.444 451 HE2 HIS 61 HE2 HIS 61 1.646 -5.372 -17.266 452 H HIS 62 HN HIS 62 2.568 -9.486 -19.939 453 HA HIS 62 HA HIS 62 3.206 -11.517 -21.819 454 HB2 HIS 62 HB2 HIS 62 2.694 -8.599 -21.886 455 HB3 HIS 62 HB1 HIS 62 3.656 -9.245 -23.215 456 HD2 HIS 62 HD2 HIS 62 2.232 -10.867 -25.028 457 HE1 HIS 62 HE1 HIS 62 -1.498 -10.637 -23.063 458 HE2 HIS 62 HE2 HIS 62 -0.316 -11.421 -25.169 459 H HIS 63 HN HIS 63 5.008 -8.476 -21.565 460 HA HIS 63 HA HIS 63 7.480 -9.933 -22.140 461 HB2 HIS 63 HB2 HIS 63 6.680 -7.724 -23.280 462 HB3 HIS 63 HB1 HIS 63 7.296 -6.953 -21.819 463 HD2 HIS 63 HD2 HIS 63 8.694 -7.649 -25.156 464 HE1 HIS 63 HE1 HIS 63 11.962 -8.360 -22.580 465 HE2 HIS 63 HE2 HIS 63 11.280 -7.979 -24.996 466 H HIS 64 HN HIS 64 6.367 -10.372 -19.588 467 HA HIS 64 HA HIS 64 6.796 -10.188 -17.319 468 HB2 HIS 64 HB2 HIS 64 9.629 -10.037 -18.374 469 HB3 HIS 64 HB1 HIS 64 9.124 -10.604 -16.782 470 HD2 HIS 64 HD2 HIS 64 9.390 -11.939 -20.427 471 HE1 HIS 64 HE1 HIS 64 7.598 -14.977 -18.108 472 HE2 HIS 64 HE2 HIS 64 8.606 -14.429 -20.372 Start of MODEL 40 1 H1 MET 1 HT1 MET 1 22.913 -9.502 3.362 2 H2 MET 1 HT2 MET 1 24.481 -10.112 3.121 3 H3 MET 1 HT3 MET 1 24.194 -8.947 4.325 4 HA MET 1 HA MET 1 24.422 -11.048 5.394 5 HB2 MET 1 HB2 MET 1 21.452 -10.527 5.248 6 HB3 MET 1 HB1 MET 1 22.408 -11.042 6.638 7 HG2 MET 1 HG2 MET 1 22.450 -8.326 5.299 8 HG3 MET 1 HG1 MET 1 21.902 -8.699 6.933 9 HE1 MET 1 HE1 MET 1 23.268 -6.868 7.869 10 HE2 MET 1 HE2 MET 1 24.023 -6.395 6.348 11 HE3 MET 1 HE3 MET 1 25.025 -6.684 7.769 12 H GLU 2 HN GLU 2 25.019 -12.422 3.488 13 HA GLU 2 HA GLU 2 23.212 -14.644 3.300 14 HB2 GLU 2 HB2 GLU 2 22.320 -12.972 1.594 15 HB3 GLU 2 HB1 GLU 2 23.816 -13.239 0.697 16 HG2 GLU 2 HG2 GLU 2 23.091 -15.807 1.169 17 HG3 GLU 2 HG1 GLU 2 21.500 -15.051 1.096 18 H GLU 3 HN GLU 3 25.345 -15.255 4.318 19 HA GLU 3 HA GLU 3 26.873 -16.777 2.476 20 HB2 GLU 3 HB2 GLU 3 27.720 -14.332 2.176 21 HB3 GLU 3 HB1 GLU 3 28.511 -14.593 3.730 22 HG2 GLU 3 HG2 GLU 3 30.111 -15.227 2.076 23 HG3 GLU 3 HG1 GLU 3 29.475 -16.734 2.734 24 H GLY 4 HN GLY 4 25.494 -17.342 4.831 25 HA2 GLY 4 HA2 GLY 4 26.071 -18.996 6.452 26 HA3 GLY 4 HA1 GLY 4 27.700 -18.328 6.509 27 H GLY 5 HN GLY 5 28.067 -16.365 7.657 28 HA2 GLY 5 HA2 GLY 5 27.876 -15.130 9.603 29 HA3 GLY 5 HA1 GLY 5 26.296 -14.720 8.941 30 H ASP 6 HN ASP 6 25.769 -14.598 11.295 31 HA ASP 6 HA ASP 6 24.599 -17.132 12.142 32 HB2 ASP 6 HB2 ASP 6 26.634 -15.618 13.783 33 HB3 ASP 6 HB1 ASP 6 25.521 -16.796 14.475 34 H PHE 7 HN PHE 7 23.272 -14.948 11.157 35 HA PHE 7 HA PHE 7 21.729 -13.291 11.646 36 HB2 PHE 7 HB2 PHE 7 20.952 -14.828 14.080 37 HB3 PHE 7 HB1 PHE 7 19.941 -14.165 12.795 38 HD1 PHE 7 HD2 PHE 7 21.233 -15.216 10.369 39 HD2 PHE 7 HD1 PHE 7 20.464 -17.134 14.135 40 HE1 PHE 7 HE2 PHE 7 21.216 -17.424 9.241 41 HE2 PHE 7 HE1 PHE 7 20.447 -19.342 13.007 42 HZ PHE 7 HZ PHE 7 20.822 -19.488 10.560 43 H ASP 8 HN ASP 8 24.229 -12.576 12.628 44 HA ASP 8 HA ASP 8 23.442 -10.856 14.841 45 HB2 ASP 8 HB2 ASP 8 24.370 -13.039 15.808 46 HB3 ASP 8 HB1 ASP 8 25.926 -12.536 15.150 47 H ASN 9 HN ASN 9 24.026 -10.286 12.146 48 HA ASN 9 HA ASN 9 26.558 -9.612 11.390 49 HB2 ASN 9 HB2 ASN 9 25.545 -7.654 10.207 50 HB3 ASN 9 HB1 ASN 9 24.675 -9.165 9.944 51 HD21 ASN 9 HD21 ASN 9 22.819 -9.516 11.683 52 HD22 ASN 9 HD22 ASN 9 21.891 -8.140 12.042 53 H TYR 10 HN TYR 10 27.558 -7.376 11.347 54 HA TYR 10 HA TYR 10 28.618 -5.690 12.473 55 HB2 TYR 10 HB2 TYR 10 26.082 -5.043 12.541 56 HB3 TYR 10 HB1 TYR 10 26.237 -5.402 14.262 57 HD1 TYR 10 HD2 TYR 10 27.814 -3.434 11.498 58 HD2 TYR 10 HD1 TYR 10 27.189 -3.825 15.730 59 HE1 TYR 10 HE2 TYR 10 28.900 -1.234 11.861 60 HE2 TYR 10 HE1 TYR 10 28.275 -1.624 16.093 61 HH TYR 10 HH TYR 10 29.492 0.004 15.132 62 H TYR 11 HN TYR 11 29.950 -5.409 14.230 63 HA TYR 11 HA TYR 11 31.245 -6.241 15.960 64 HB2 TYR 11 HB2 TYR 11 29.072 -5.040 16.930 65 HB3 TYR 11 HB1 TYR 11 28.754 -6.664 17.541 66 HD1 TYR 11 HD1 TYR 11 31.158 -3.843 17.568 67 HD2 TYR 11 HD2 TYR 11 30.112 -7.647 19.270 68 HE1 TYR 11 HE1 TYR 11 32.813 -3.487 19.381 69 HE2 TYR 11 HE2 TYR 11 31.767 -7.290 21.082 70 HH TYR 11 HH TYR 11 32.953 -5.532 22.167 71 H GLY 12 HN GLY 12 30.552 -8.253 14.105 72 HA2 GLY 12 HA2 GLY 12 31.368 -10.574 15.265 73 HA3 GLY 12 HA1 GLY 12 29.624 -10.594 15.518 74 H ALA 13 HN ALA 13 31.082 -9.080 12.730 75 HA ALA 13 HA ALA 13 30.177 -11.323 11.028 76 HB1 ALA 13 HB1 ALA 13 29.302 -8.538 11.036 77 HB2 ALA 13 HB2 ALA 13 28.584 -9.941 10.246 78 HB3 ALA 13 HB3 ALA 13 29.893 -9.059 9.459 79 H ASP 14 HN ASP 14 32.470 -8.772 11.650 80 HA ASP 14 HA ASP 14 33.969 -9.317 9.205 81 HB2 ASP 14 HB2 ASP 14 34.275 -7.350 11.466 82 HB3 ASP 14 HB1 ASP 14 35.554 -7.594 10.278 83 H ASN 15 HN ASN 15 34.100 -9.984 12.644 84 HA ASN 15 HA ASN 15 36.734 -10.763 12.985 85 HB2 ASN 15 HB2 ASN 15 34.858 -10.678 14.719 86 HB3 ASN 15 HB1 ASN 15 34.414 -12.290 14.161 87 HD21 ASN 15 HD21 ASN 15 36.023 -14.039 14.474 88 HD22 ASN 15 HD22 ASN 15 37.254 -13.867 15.629 89 H GLN 16 HN GLN 16 34.163 -12.369 11.264 90 HA GLN 16 HA GLN 16 35.701 -14.842 10.997 91 HB2 GLN 16 HB2 GLN 16 33.688 -15.547 9.627 92 HB3 GLN 16 HB1 GLN 16 33.356 -15.174 11.318 93 HG2 GLN 16 HG2 GLN 16 32.395 -13.081 10.790 94 HG3 GLN 16 HG1 GLN 16 33.103 -13.066 9.176 95 HE21 GLN 16 HE21 GLN 16 31.862 -13.957 7.485 96 HE22 GLN 16 HE22 GLN 16 30.397 -14.783 7.720 97 H SER 17 HN SER 17 36.557 -12.218 9.819 98 HA SER 17 HA SER 17 36.935 -13.205 7.067 99 HB2 SER 17 HB2 SER 17 35.168 -11.237 7.486 100 HB3 SER 17 HB1 SER 17 36.638 -10.269 7.441 101 HG SER 17 HG SER 17 36.272 -12.248 5.499 102 H GLU 18 HN GLU 18 37.928 -10.772 9.473 103 HA GLU 18 HA GLU 18 40.401 -10.112 8.330 104 HB2 GLU 18 HB2 GLU 18 40.869 -9.003 10.323 105 HB3 GLU 18 HB1 GLU 18 39.106 -9.060 10.347 106 HG2 GLU 18 HG2 GLU 18 39.433 -11.323 11.599 107 HG3 GLU 18 HG1 GLU 18 41.067 -10.734 11.903 108 H CYS 19 HN CYS 19 39.371 -12.947 9.988 109 HA CYS 19 HA CYS 19 42.149 -13.820 10.429 110 HB2 CYS 19 HB2 CYS 19 39.575 -15.138 11.321 111 HB3 CYS 19 HB1 CYS 19 41.210 -15.573 11.818 112 HG CYS 19 HG CYS 19 41.111 -13.791 13.527 113 H GLU 20 HN GLU 20 39.270 -14.472 8.557 114 HA GLU 20 HA GLU 20 40.358 -16.940 7.450 115 HB2 GLU 20 HB2 GLU 20 37.843 -15.426 6.707 116 HB3 GLU 20 HB1 GLU 20 38.261 -17.069 6.218 117 HG2 GLU 20 HG2 GLU 20 38.520 -17.342 8.884 118 HG3 GLU 20 HG1 GLU 20 37.310 -16.060 8.850 119 H TYR 21 HN TYR 21 40.430 -13.592 6.788 120 HA TYR 21 HA TYR 21 40.640 -13.662 3.951 121 HB2 TYR 21 HB2 TYR 21 40.195 -11.526 4.710 122 HB3 TYR 21 HB1 TYR 21 41.277 -11.678 6.094 123 HD1 TYR 21 HD2 TYR 21 43.728 -11.469 5.812 124 HD2 TYR 21 HD1 TYR 21 41.017 -10.848 2.538 125 HE1 TYR 21 HE2 TYR 21 45.539 -10.372 4.521 126 HE2 TYR 21 HE1 TYR 21 42.828 -9.751 1.247 127 HH TYR 21 HH TYR 21 46.106 -9.398 2.616 128 H THR 22 HN THR 22 42.984 -13.903 6.581 129 HA THR 22 HA THR 22 45.295 -13.810 4.894 130 HB THR 22 HB THR 22 46.006 -15.178 7.221 131 HG1 THR 22 HG1 THR 22 44.703 -14.539 8.742 132 HG21 THR 22 HG21 THR 22 45.957 -12.235 6.517 133 HG22 THR 22 HG22 THR 22 47.289 -13.367 6.282 134 HG23 THR 22 HG23 THR 22 46.815 -12.888 7.913 135 H ASP 23 HN ASP 23 42.994 -16.227 5.671 136 HA ASP 23 HA ASP 23 44.799 -18.412 4.903 137 HB2 ASP 23 HB2 ASP 23 41.999 -18.363 6.036 138 HB3 ASP 23 HB1 ASP 23 42.792 -19.840 5.492 139 H TRP 24 HN TRP 24 41.533 -17.241 4.049 140 HA TRP 24 HA TRP 24 40.943 -18.762 1.877 141 HB2 TRP 24 HB2 TRP 24 39.256 -17.270 2.169 142 HB3 TRP 24 HB1 TRP 24 40.349 -15.973 2.652 143 HD1 TRP 24 HD1 TRP 24 39.094 -17.780 -0.506 144 HE1 TRP 24 HE1 TRP 24 39.331 -16.175 -2.510 145 HE3 TRP 24 HE3 TRP 24 41.480 -13.880 1.768 146 HZ2 TRP 24 HZ2 TRP 24 40.394 -13.580 -3.073 147 HZ3 TRP 24 HZ3 TRP 24 42.093 -11.855 0.476 148 HH2 TRP 24 HH2 TRP 24 41.554 -11.700 -1.939 149 H LYS 25 HN LYS 25 43.160 -16.001 1.951 150 HA LYS 25 HA LYS 25 43.686 -15.693 -0.751 151 HB2 LYS 25 HB2 LYS 25 44.596 -14.363 1.263 152 HB3 LYS 25 HB1 LYS 25 45.874 -15.577 1.313 153 HG2 LYS 25 HG2 LYS 25 46.420 -15.094 -1.051 154 HG3 LYS 25 HG1 LYS 25 45.160 -13.861 -1.083 155 HD2 LYS 25 HD2 LYS 25 46.356 -12.749 0.864 156 HD3 LYS 25 HD1 LYS 25 47.690 -13.866 0.577 157 HE2 LYS 25 HE2 LYS 25 47.294 -12.960 -1.946 158 HE3 LYS 25 HE1 LYS 25 46.796 -11.538 -1.030 159 HZ1 LYS 25 HZ1 LYS 25 49.406 -12.925 -0.994 160 HZ2 LYS 25 HZ2 LYS 25 48.936 -11.882 0.262 161 HZ3 LYS 25 HZ3 LYS 25 49.082 -11.293 -1.325 162 H SER 26 HN SER 26 44.942 -18.097 1.505 163 HA SER 26 HA SER 26 46.559 -19.302 -0.633 164 HB2 SER 26 HB2 SER 26 46.442 -19.724 2.352 165 HB3 SER 26 HB1 SER 26 47.331 -20.803 1.279 166 HG SER 26 HG SER 26 47.971 -18.353 0.584 167 H SER 27 HN SER 27 43.726 -19.860 1.346 168 HA SER 27 HA SER 27 43.424 -22.588 0.328 169 HB2 SER 27 HB2 SER 27 42.058 -20.955 2.440 170 HB3 SER 27 HB1 SER 27 41.257 -22.375 1.774 171 HG SER 27 HG SER 27 42.549 -22.883 3.595 172 H GLY 28 HN GLY 28 43.037 -19.839 -1.132 173 HA2 GLY 28 HA2 GLY 28 40.259 -20.029 -1.978 174 HA3 GLY 28 HA1 GLY 28 41.443 -18.847 -2.527 175 H ALA 29 HN ALA 29 42.957 -21.753 -2.689 176 HA ALA 29 HA ALA 29 42.344 -22.020 -5.560 177 HB1 ALA 29 HB1 ALA 29 44.712 -21.592 -4.870 178 HB2 ALA 29 HB2 ALA 29 44.499 -23.093 -5.774 179 HB3 ALA 29 HB3 ALA 29 44.697 -23.139 -4.022 180 H LEU 30 HN LEU 30 40.478 -23.086 -3.760 181 HA LEU 30 HA LEU 30 40.488 -25.846 -4.615 182 HB2 LEU 30 HB2 LEU 30 40.248 -26.777 -2.328 183 HB3 LEU 30 HB1 LEU 30 41.838 -26.066 -2.602 184 HG LEU 30 HG LEU 30 40.227 -23.953 -1.671 185 HD11 LEU 30 HD11 LEU 30 39.863 -26.478 -0.025 186 HD12 LEU 30 HD12 LEU 30 38.589 -25.623 -0.894 187 HD13 LEU 30 HD13 LEU 30 39.389 -24.855 0.478 188 HD21 LEU 30 HD21 LEU 30 42.585 -24.183 -1.176 189 HD22 LEU 30 HD22 LEU 30 42.307 -25.706 -0.329 190 HD23 LEU 30 HD23 LEU 30 41.713 -24.193 0.357 191 H ILE 31 HN ILE 31 38.974 -23.213 -2.831 192 HA ILE 31 HA ILE 31 36.421 -24.457 -2.577 193 HB ILE 31 HB ILE 31 36.685 -21.492 -2.662 194 HG12 ILE 31 HG12 ILE 31 38.062 -23.344 -0.726 195 HG13 ILE 31 HG11 ILE 31 38.701 -21.902 -1.516 196 HG21 ILE 31 HG21 ILE 31 35.025 -21.580 -1.008 197 HG22 ILE 31 HG22 ILE 31 35.483 -23.207 -0.504 198 HG23 ILE 31 HG23 ILE 31 34.623 -22.964 -2.024 199 HD11 ILE 31 HD11 ILE 31 38.274 -21.118 0.644 200 HD12 ILE 31 HD12 ILE 31 36.818 -22.098 0.818 201 HD13 ILE 31 HD13 ILE 31 36.799 -20.664 -0.209 202 HA PRO 32 HA PRO 32 35.542 -21.676 -6.517 203 HB2 PRO 32 HB2 PRO 32 38.046 -22.198 -8.011 204 HB3 PRO 32 HB1 PRO 32 37.134 -20.688 -7.830 205 HG2 PRO 32 HG2 PRO 32 39.474 -21.090 -6.602 206 HG3 PRO 32 HG1 PRO 32 38.171 -20.138 -5.869 207 HD2 PRO 32 HD2 PRO 32 39.046 -22.934 -5.242 208 HD3 PRO 32 HD1 PRO 32 38.445 -21.669 -4.149 209 H ALA 33 HN ALA 33 37.553 -24.577 -6.590 210 HA ALA 33 HA ALA 33 36.740 -25.732 -8.971 211 HB1 ALA 33 HB1 ALA 33 36.880 -27.789 -6.995 212 HB2 ALA 33 HB2 ALA 33 38.105 -26.575 -6.621 213 HB3 ALA 33 HB3 ALA 33 38.085 -27.348 -8.206 214 H ILE 34 HN ILE 34 35.395 -26.709 -5.812 215 HA ILE 34 HA ILE 34 33.185 -28.071 -6.787 216 HB ILE 34 HB ILE 34 33.789 -26.674 -4.210 217 HG12 ILE 34 HG12 ILE 34 34.468 -29.087 -5.073 218 HG13 ILE 34 HG11 ILE 34 34.000 -28.836 -3.392 219 HG21 ILE 34 HG21 ILE 34 31.090 -27.675 -5.117 220 HG22 ILE 34 HG22 ILE 34 31.484 -26.165 -4.298 221 HG23 ILE 34 HG23 ILE 34 31.541 -27.687 -3.413 222 HD11 ILE 34 HD11 ILE 34 32.897 -30.802 -4.670 223 HD12 ILE 34 HD12 ILE 34 31.948 -29.559 -5.483 224 HD13 ILE 34 HD13 ILE 34 31.846 -29.743 -3.732 225 H TYR 35 HN TYR 35 33.441 -24.651 -5.864 226 HA TYR 35 HA TYR 35 30.818 -23.857 -6.295 227 HB2 TYR 35 HB2 TYR 35 33.424 -22.577 -6.112 228 HB3 TYR 35 HB1 TYR 35 32.357 -21.737 -7.238 229 HD1 TYR 35 HD2 TYR 35 30.131 -20.911 -6.484 230 HD2 TYR 35 HD1 TYR 35 32.968 -22.620 -3.749 231 HE1 TYR 35 HE2 TYR 35 28.873 -19.947 -4.576 232 HE2 TYR 35 HE1 TYR 35 31.710 -21.657 -1.842 233 HH TYR 35 HH TYR 35 29.590 -19.247 -2.069 234 H MET 36 HN MET 36 33.478 -23.428 -8.637 235 HA MET 36 HA MET 36 31.958 -22.723 -10.838 236 HB2 MET 36 HB2 MET 36 34.632 -23.959 -10.448 237 HB3 MET 36 HB1 MET 36 33.930 -24.074 -12.061 238 HG2 MET 36 HG2 MET 36 35.359 -21.998 -11.583 239 HG3 MET 36 HG1 MET 36 33.760 -21.713 -12.272 240 HE1 MET 36 HE1 MET 36 33.360 -19.310 -11.546 241 HE2 MET 36 HE2 MET 36 32.316 -19.222 -10.130 242 HE3 MET 36 HE3 MET 36 32.010 -20.438 -11.366 243 H LEU 37 HN LEU 37 33.139 -26.013 -10.075 244 HA LEU 37 HA LEU 37 31.892 -27.386 -12.112 245 HB2 LEU 37 HB2 LEU 37 33.444 -28.414 -10.449 246 HB3 LEU 37 HB1 LEU 37 32.143 -28.370 -9.262 247 HG LEU 37 HG LEU 37 30.725 -29.747 -10.818 248 HD11 LEU 37 HD11 LEU 37 33.192 -29.466 -12.491 249 HD12 LEU 37 HD12 LEU 37 31.500 -29.528 -12.981 250 HD13 LEU 37 HD13 LEU 37 32.341 -31.010 -12.533 251 HD21 LEU 37 HD21 LEU 37 31.880 -31.847 -10.357 252 HD22 LEU 37 HD22 LEU 37 32.099 -30.758 -8.987 253 HD23 LEU 37 HD23 LEU 37 33.410 -30.996 -10.141 254 H VAL 38 HN VAL 38 30.498 -26.090 -9.166 255 HA VAL 38 HA VAL 38 27.911 -27.346 -9.771 256 HB VAL 38 HB VAL 38 28.891 -25.755 -7.391 257 HG11 VAL 38 HG11 VAL 38 26.623 -25.235 -7.392 258 HG12 VAL 38 HG12 VAL 38 26.615 -26.752 -6.492 259 HG13 VAL 38 HG13 VAL 38 26.175 -26.737 -8.200 260 HG21 VAL 38 HG21 VAL 38 28.948 -27.824 -6.254 261 HG22 VAL 38 HG22 VAL 38 29.614 -28.210 -7.840 262 HG23 VAL 38 HG23 VAL 38 27.939 -28.617 -7.464 263 H PHE 39 HN PHE 39 29.558 -24.586 -10.586 264 HA PHE 39 HA PHE 39 27.261 -22.782 -10.487 265 HB2 PHE 39 HB2 PHE 39 29.737 -22.135 -10.053 266 HB3 PHE 39 HB1 PHE 39 29.894 -22.171 -11.809 267 HD1 PHE 39 HD2 PHE 39 28.381 -20.718 -13.218 268 HD2 PHE 39 HD1 PHE 39 28.640 -20.333 -8.948 269 HE1 PHE 39 HE2 PHE 39 27.354 -18.465 -13.359 270 HE2 PHE 39 HE1 PHE 39 27.614 -18.080 -9.088 271 HZ PHE 39 HZ PHE 39 26.970 -17.146 -11.294 272 H LEU 40 HN LEU 40 29.288 -24.442 -12.878 273 HA LEU 40 HA LEU 40 27.925 -23.349 -15.141 274 HB2 LEU 40 HB2 LEU 40 29.110 -25.138 -16.411 275 HB3 LEU 40 HB1 LEU 40 30.183 -24.167 -15.405 276 HG LEU 40 HG LEU 40 29.484 -26.168 -13.663 277 HD11 LEU 40 HD11 LEU 40 29.965 -27.573 -16.288 278 HD12 LEU 40 HD12 LEU 40 28.328 -27.241 -15.726 279 HD13 LEU 40 HD13 LEU 40 29.400 -28.255 -14.763 280 HD21 LEU 40 HD21 LEU 40 31.770 -25.872 -15.612 281 HD22 LEU 40 HD22 LEU 40 31.731 -27.185 -14.439 282 HD23 LEU 40 HD23 LEU 40 31.749 -25.511 -13.887 283 H LEU 41 HN LEU 41 27.196 -25.861 -12.924 284 HA LEU 41 HA LEU 41 25.124 -26.931 -14.747 285 HB2 LEU 41 HB2 LEU 41 25.120 -28.933 -13.266 286 HB3 LEU 41 HB1 LEU 41 26.674 -28.657 -14.034 287 HG LEU 41 HG LEU 41 27.336 -27.382 -11.942 288 HD11 LEU 41 HD11 LEU 41 25.928 -28.637 -9.966 289 HD12 LEU 41 HD12 LEU 41 24.650 -28.351 -11.143 290 HD13 LEU 41 HD13 LEU 41 25.594 -27.000 -10.520 291 HD21 LEU 41 HD21 LEU 41 28.200 -29.607 -12.476 292 HD22 LEU 41 HD22 LEU 41 26.763 -30.350 -11.773 293 HD23 LEU 41 HD23 LEU 41 27.900 -29.482 -10.743 294 H GLY 42 HN GLY 42 25.649 -24.970 -12.075 295 HA2 GLY 42 HA2 GLY 42 22.931 -25.437 -11.009 296 HA3 GLY 42 HA1 GLY 42 24.246 -24.675 -10.122 297 H THR 43 HN THR 43 24.422 -23.561 -13.220 298 HA THR 43 HA THR 43 22.596 -21.292 -12.721 299 HB THR 43 HB THR 43 25.262 -20.873 -14.028 300 HG1 THR 43 HG1 THR 43 26.167 -20.533 -12.048 301 HG21 THR 43 HG21 THR 43 24.805 -18.647 -13.695 302 HG22 THR 43 HG22 THR 43 23.935 -18.943 -12.191 303 HG23 THR 43 HG23 THR 43 23.147 -19.244 -13.740 304 H THR 44 HN THR 44 23.119 -23.834 -14.612 305 HA THR 44 HA THR 44 22.353 -22.422 -17.098 306 HB THR 44 HB THR 44 24.593 -23.701 -17.021 307 HG1 THR 44 HG1 THR 44 22.784 -24.612 -18.980 308 HG21 THR 44 HG21 THR 44 23.442 -25.681 -15.847 309 HG22 THR 44 HG22 THR 44 24.538 -26.062 -17.174 310 HG23 THR 44 HG23 THR 44 22.795 -26.088 -17.437 311 H GLY 45 HN GLY 45 21.831 -25.233 -15.034 312 HA2 GLY 45 HA2 GLY 45 19.286 -25.758 -16.457 313 HA3 GLY 45 HA1 GLY 45 20.233 -26.996 -15.637 314 H ASN 46 HN ASN 46 20.294 -24.099 -13.937 315 HA ASN 46 HA ASN 46 17.962 -24.829 -12.284 316 HB2 ASN 46 HB2 ASN 46 20.767 -24.254 -11.314 317 HB3 ASN 46 HB1 ASN 46 19.353 -24.307 -10.263 318 HD21 ASN 46 HD21 ASN 46 21.444 -26.298 -12.342 319 HD22 ASN 46 HD22 ASN 46 20.912 -27.788 -11.728 320 H GLY 47 HN GLY 47 20.507 -22.387 -12.807 321 HA2 GLY 47 HA2 GLY 47 19.195 -20.229 -11.581 322 HA3 GLY 47 HA1 GLY 47 20.427 -20.087 -12.833 323 H LEU 48 HN LEU 48 19.287 -21.180 -15.022 324 HA LEU 48 HA LEU 48 17.737 -19.187 -16.119 325 HB2 LEU 48 HB2 LEU 48 18.853 -21.037 -17.384 326 HB3 LEU 48 HB1 LEU 48 17.572 -22.120 -16.849 327 HG LEU 48 HG LEU 48 15.892 -20.622 -17.924 328 HD11 LEU 48 HD11 LEU 48 16.735 -18.484 -18.120 329 HD12 LEU 48 HD12 LEU 48 17.133 -19.084 -19.729 330 HD13 LEU 48 HD13 LEU 48 18.369 -19.044 -18.472 331 HD21 LEU 48 HD21 LEU 48 18.139 -21.716 -19.633 332 HD22 LEU 48 HD22 LEU 48 16.609 -21.148 -20.301 333 HD23 LEU 48 HD23 LEU 48 16.633 -22.523 -19.196 334 H VAL 49 HN VAL 49 16.564 -22.273 -14.762 335 HA VAL 49 HA VAL 49 13.820 -21.754 -15.092 336 HB VAL 49 HB VAL 49 15.396 -23.548 -13.268 337 HG11 VAL 49 HG11 VAL 49 13.596 -23.086 -11.831 338 HG12 VAL 49 HG12 VAL 49 13.019 -24.489 -12.731 339 HG13 VAL 49 HG13 VAL 49 12.463 -22.874 -13.166 340 HG21 VAL 49 HG21 VAL 49 14.995 -24.034 -15.730 341 HG22 VAL 49 HG22 VAL 49 13.275 -24.149 -15.348 342 HG23 VAL 49 HG23 VAL 49 14.418 -25.281 -14.623 343 H LEU 50 HN LEU 50 15.558 -21.745 -11.975 344 HA LEU 50 HA LEU 50 13.662 -20.427 -10.467 345 HB2 LEU 50 HB2 LEU 50 16.667 -20.123 -10.235 346 HB3 LEU 50 HB1 LEU 50 15.492 -19.788 -8.965 347 HG LEU 50 HG LEU 50 15.907 -22.489 -10.284 348 HD11 LEU 50 HD11 LEU 50 17.596 -22.767 -8.826 349 HD12 LEU 50 HD12 LEU 50 16.457 -22.532 -7.502 350 HD13 LEU 50 HD13 LEU 50 17.328 -21.151 -8.170 351 HD21 LEU 50 HD21 LEU 50 14.554 -23.069 -8.072 352 HD22 LEU 50 HD22 LEU 50 13.709 -22.582 -9.540 353 HD23 LEU 50 HD23 LEU 50 13.984 -21.410 -8.251 354 H TRP 51 HN TRP 51 15.696 -19.159 -12.948 355 HA TRP 51 HA TRP 51 15.379 -16.387 -12.130 356 HB2 TRP 51 HB2 TRP 51 17.446 -16.982 -13.228 357 HB3 TRP 51 HB1 TRP 51 16.573 -17.664 -14.601 358 HD1 TRP 51 HD1 TRP 51 17.608 -14.364 -13.032 359 HE1 TRP 51 HE1 TRP 51 17.142 -12.456 -14.702 360 HE3 TRP 51 HE3 TRP 51 15.023 -16.931 -16.610 361 HZ2 TRP 51 HZ2 TRP 51 15.845 -12.069 -17.221 362 HZ3 TRP 51 HZ3 TRP 51 14.185 -15.770 -18.632 363 HH2 TRP 51 HH2 TRP 51 14.592 -13.344 -18.941 364 H THR 52 HN THR 52 14.172 -18.533 -14.691 365 HA THR 52 HA THR 52 12.568 -16.565 -15.976 366 HB THR 52 HB THR 52 12.527 -19.584 -15.994 367 HG1 THR 52 HG1 THR 52 13.150 -17.677 -17.994 368 HG21 THR 52 HG21 THR 52 10.300 -19.158 -16.520 369 HG22 THR 52 HG22 THR 52 11.052 -19.067 -18.113 370 HG23 THR 52 HG23 THR 52 10.664 -17.588 -17.235 371 H VAL 53 HN VAL 53 11.891 -19.041 -13.525 372 HA VAL 53 HA VAL 53 9.111 -18.575 -13.348 373 HB VAL 53 HB VAL 53 11.104 -19.733 -11.395 374 HG11 VAL 53 HG11 VAL 53 8.122 -19.319 -11.174 375 HG12 VAL 53 HG12 VAL 53 9.371 -18.939 -9.989 376 HG13 VAL 53 HG13 VAL 53 8.936 -20.619 -10.304 377 HG21 VAL 53 HG21 VAL 53 10.364 -21.819 -12.173 378 HG22 VAL 53 HG22 VAL 53 10.370 -20.853 -13.647 379 HG23 VAL 53 HG23 VAL 53 8.854 -21.157 -12.799 380 H PHE 54 HN PHE 54 11.815 -17.403 -11.342 381 HA PHE 54 HA PHE 54 10.437 -15.870 -9.514 382 HB2 PHE 54 HB2 PHE 54 13.140 -15.693 -10.754 383 HB3 PHE 54 HB1 PHE 54 12.565 -14.291 -9.851 384 HD1 PHE 54 HD1 PHE 54 11.986 -17.956 -9.336 385 HD2 PHE 54 HD2 PHE 54 13.636 -14.316 -7.764 386 HE1 PHE 54 HE1 PHE 54 12.507 -19.112 -7.205 387 HE2 PHE 54 HE2 PHE 54 14.158 -15.472 -5.633 388 HZ PHE 54 HZ PHE 54 13.592 -17.870 -5.354 389 H ARG 55 HN ARG 55 10.516 -15.476 -12.876 390 HA ARG 55 HA ARG 55 9.745 -12.635 -12.710 391 HB2 ARG 55 HB2 ARG 55 10.899 -14.367 -14.847 392 HB3 ARG 55 HB1 ARG 55 9.863 -13.026 -15.336 393 HG2 ARG 55 HG2 ARG 55 11.307 -11.416 -14.483 394 HG3 ARG 55 HG1 ARG 55 12.013 -12.527 -13.309 395 HD2 ARG 55 HD2 ARG 55 13.340 -11.831 -15.507 396 HD3 ARG 55 HD1 ARG 55 13.459 -13.461 -14.847 397 HE ARG 55 HE ARG 55 12.279 -14.244 -16.696 398 HH11 ARG 55 HH21 ARG 55 12.071 -10.799 -16.428 399 HH12 ARG 55 HH22 ARG 55 11.320 -10.586 -17.973 400 HH21 ARG 55 HH11 ARG 55 11.293 -13.972 -18.724 401 HH22 ARG 55 HH12 ARG 55 10.879 -12.382 -19.274 402 H LYS 56 HN LYS 56 8.512 -15.811 -13.291 403 HA LYS 56 HA LYS 56 6.055 -14.773 -14.503 404 HB2 LYS 56 HB2 LYS 56 5.706 -16.861 -15.339 405 HB3 LYS 56 HB1 LYS 56 7.439 -17.018 -15.063 406 HG2 LYS 56 HG2 LYS 56 6.851 -17.901 -12.732 407 HG3 LYS 56 HG1 LYS 56 5.183 -18.008 -13.294 408 HD2 LYS 56 HD2 LYS 56 7.453 -19.305 -14.818 409 HD3 LYS 56 HD1 LYS 56 6.615 -20.132 -13.507 410 HE2 LYS 56 HE2 LYS 56 4.447 -19.710 -14.703 411 HE3 LYS 56 HE1 LYS 56 5.373 -19.056 -16.055 412 HZ1 LYS 56 HZ1 LYS 56 5.164 -21.232 -16.669 413 HZ2 LYS 56 HZ2 LYS 56 5.209 -21.817 -15.074 414 HZ3 LYS 56 HZ3 LYS 56 6.638 -21.301 -15.833 415 H LYS 57 HN LYS 57 7.284 -16.052 -11.505 416 HA LYS 57 HA LYS 57 4.572 -16.121 -10.361 417 HB2 LYS 57 HB2 LYS 57 6.391 -18.005 -10.104 418 HB3 LYS 57 HB1 LYS 57 7.022 -16.941 -8.848 419 HG2 LYS 57 HG2 LYS 57 4.451 -16.867 -8.133 420 HG3 LYS 57 HG1 LYS 57 4.436 -18.433 -8.945 421 HD2 LYS 57 HD2 LYS 57 6.556 -18.945 -7.538 422 HD3 LYS 57 HD1 LYS 57 6.052 -17.575 -6.548 423 HE2 LYS 57 HE2 LYS 57 5.049 -19.459 -5.511 424 HE3 LYS 57 HE1 LYS 57 3.748 -18.721 -6.445 425 HZ1 LYS 57 HZ1 LYS 57 5.313 -20.624 -7.930 426 HZ2 LYS 57 HZ2 LYS 57 3.626 -20.472 -7.797 427 HZ3 LYS 57 HZ3 LYS 57 4.504 -21.308 -6.606 428 H GLY 58 HN GLY 58 7.290 -14.131 -10.608 429 HA2 GLY 58 HA2 GLY 58 7.000 -12.836 -8.024 430 HA3 GLY 58 HA1 GLY 58 8.105 -12.369 -9.311 431 H HIS 59 HN HIS 59 6.048 -12.289 -11.367 432 HA HIS 59 HA HIS 59 5.290 -9.597 -11.211 433 HB2 HIS 59 HB2 HIS 59 4.703 -9.961 -13.344 434 HB3 HIS 59 HB1 HIS 59 5.123 -11.658 -13.110 435 HD2 HIS 59 HD2 HIS 59 2.807 -13.247 -12.115 436 HE1 HIS 59 HE1 HIS 59 0.007 -10.568 -13.791 437 HE2 HIS 59 HE2 HIS 59 0.308 -12.878 -12.777 438 H HIS 60 HN HIS 60 4.040 -12.245 -9.554 439 HA HIS 60 HA HIS 60 1.734 -10.656 -8.682 440 HB2 HIS 60 HB2 HIS 60 0.836 -12.102 -10.440 441 HB3 HIS 60 HB1 HIS 60 1.530 -13.518 -9.650 442 HD2 HIS 60 HD2 HIS 60 -0.253 -10.828 -7.422 443 HE1 HIS 60 HE1 HIS 60 -2.719 -14.251 -7.555 444 HE2 HIS 60 HE2 HIS 60 -2.388 -11.983 -6.462 445 H HIS 61 HN HIS 61 2.752 -10.372 -6.694 446 HA HIS 61 HA HIS 61 3.426 -12.786 -5.155 447 HB2 HIS 61 HB2 HIS 61 5.127 -11.035 -5.193 448 HB3 HIS 61 HB1 HIS 61 3.957 -9.859 -4.592 449 HD2 HIS 61 HD2 HIS 61 3.721 -9.812 -1.822 450 HE1 HIS 61 HE1 HIS 61 5.854 -13.365 -1.014 451 HE2 HIS 61 HE2 HIS 61 4.711 -11.356 0.037 452 H HIS 62 HN HIS 62 0.813 -12.798 -5.435 453 HA HIS 62 HA HIS 62 -1.185 -12.822 -4.303 454 HB2 HIS 62 HB2 HIS 62 0.396 -12.157 -1.821 455 HB3 HIS 62 HB1 HIS 62 -1.111 -13.065 -1.943 456 HD2 HIS 62 HD2 HIS 62 -0.402 -15.685 -1.430 457 HE1 HIS 62 HE1 HIS 62 3.110 -15.825 -3.768 458 HE2 HIS 62 HE2 HIS 62 1.545 -17.188 -2.306 459 H HIS 63 HN HIS 63 -2.606 -11.243 -4.616 460 HA HIS 63 HA HIS 63 -3.543 -9.143 -4.719 461 HB2 HIS 63 HB2 HIS 63 -3.386 -9.843 -2.161 462 HB3 HIS 63 HB1 HIS 63 -2.290 -8.462 -2.099 463 HD2 HIS 63 HD2 HIS 63 -3.652 -6.101 -3.555 464 HE1 HIS 63 HE1 HIS 63 -7.385 -7.288 -1.977 465 HE2 HIS 63 HE2 HIS 63 -6.120 -5.386 -3.088 466 H HIS 64 HN HIS 64 -1.069 -9.342 -6.022 467 HA HIS 64 HA HIS 64 0.752 -8.120 -6.746 468 HB2 HIS 64 HB2 HIS 64 -1.530 -6.835 -7.331 469 HB3 HIS 64 HB1 HIS 64 -0.770 -5.604 -6.321 470 HD2 HIS 64 HD2 HIS 64 1.622 -4.483 -7.407 471 HE1 HIS 64 HE1 HIS 64 1.335 -6.424 -11.145 472 HE2 HIS 64 HE2 HIS 64 2.563 -4.627 -9.838
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