NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
555387 | 2lot | 18224 | 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 46.384 -30.827 -13.785 2 H2 MET 1 HT2 MET 1 47.787 -31.106 -12.868 3 H3 MET 1 HT3 MET 1 47.881 -31.006 -14.562 4 HA MET 1 HA MET 1 48.677 -28.956 -13.779 5 HB2 MET 1 HB2 MET 1 45.752 -28.703 -14.544 6 HB3 MET 1 HB1 MET 1 46.924 -27.385 -14.579 7 HG2 MET 1 HG2 MET 1 47.438 -29.955 -16.068 8 HG3 MET 1 HG1 MET 1 46.481 -28.663 -16.790 9 HE1 MET 1 HE1 MET 1 50.070 -29.047 -18.239 10 HE2 MET 1 HE2 MET 1 48.733 -28.113 -18.906 11 HE3 MET 1 HE3 MET 1 48.423 -29.691 -18.186 12 H GLU 2 HN GLU 2 48.360 -27.048 -12.429 13 HA GLU 2 HA GLU 2 47.146 -27.772 -9.858 14 HB2 GLU 2 HB2 GLU 2 48.375 -25.569 -9.188 15 HB3 GLU 2 HB1 GLU 2 49.326 -27.024 -9.490 16 HG2 GLU 2 HG2 GLU 2 50.150 -26.239 -11.501 17 HG3 GLU 2 HG1 GLU 2 48.734 -25.235 -11.809 18 H GLU 3 HN GLU 3 44.950 -27.424 -10.385 19 HA GLU 3 HA GLU 3 44.148 -24.631 -10.188 20 HB2 GLU 3 HB2 GLU 3 44.021 -26.126 -12.682 21 HB3 GLU 3 HB1 GLU 3 42.429 -25.565 -12.168 22 HG2 GLU 3 HG2 GLU 3 43.289 -23.279 -11.928 23 HG3 GLU 3 HG1 GLU 3 44.902 -23.824 -12.386 24 H GLY 4 HN GLY 4 43.032 -24.891 -8.329 25 HA2 GLY 4 HA2 GLY 4 40.542 -25.461 -7.903 26 HA3 GLY 4 HA1 GLY 4 41.107 -27.114 -8.125 27 H GLY 5 HN GLY 5 43.515 -27.112 -6.830 28 HA2 GLY 5 HA2 GLY 5 44.571 -26.934 -4.754 29 HA3 GLY 5 HA1 GLY 5 43.207 -25.989 -4.166 30 H ASP 6 HN ASP 6 44.169 -27.840 -2.482 31 HA ASP 6 HA ASP 6 41.997 -29.812 -2.405 32 HB2 ASP 6 HB2 ASP 6 44.777 -30.434 -2.930 33 HB3 ASP 6 HB1 ASP 6 44.229 -31.199 -1.440 34 H PHE 7 HN PHE 7 41.046 -29.686 -0.484 35 HA PHE 7 HA PHE 7 40.669 -28.995 1.694 36 HB2 PHE 7 HB2 PHE 7 41.870 -31.255 1.806 37 HB3 PHE 7 HB1 PHE 7 43.314 -30.338 2.235 38 HD1 PHE 7 HD2 PHE 7 43.395 -29.011 4.320 39 HD2 PHE 7 HD1 PHE 7 40.006 -31.461 3.337 40 HE1 PHE 7 HE2 PHE 7 42.603 -28.856 6.665 41 HE2 PHE 7 HE1 PHE 7 39.214 -31.306 5.682 42 HZ PHE 7 HZ PHE 7 40.512 -30.004 7.346 43 H ASP 8 HN ASP 8 40.887 -26.745 1.502 44 HA ASP 8 HA ASP 8 43.322 -25.683 2.757 45 HB2 ASP 8 HB2 ASP 8 43.511 -25.463 0.255 46 HB3 ASP 8 HB1 ASP 8 42.088 -24.424 0.301 47 H ASN 9 HN ASN 9 41.108 -26.039 4.197 48 HA ASN 9 HA ASN 9 40.101 -23.294 4.547 49 HB2 ASN 9 HB2 ASN 9 38.382 -25.787 4.570 50 HB3 ASN 9 HB1 ASN 9 37.836 -24.162 4.983 51 HD21 ASN 9 HD21 ASN 9 36.842 -25.808 2.733 52 HD22 ASN 9 HD22 ASN 9 37.189 -24.937 1.318 53 H TYR 10 HN TYR 10 42.166 -24.363 6.006 54 HA TYR 10 HA TYR 10 41.530 -25.786 8.320 55 HB2 TYR 10 HB2 TYR 10 43.802 -25.534 8.127 56 HB3 TYR 10 HB1 TYR 10 43.676 -23.876 7.539 57 HD1 TYR 10 HD1 TYR 10 43.151 -25.963 10.601 58 HD2 TYR 10 HD2 TYR 10 44.014 -22.070 9.004 59 HE1 TYR 10 HE1 TYR 10 43.571 -25.116 12.894 60 HE2 TYR 10 HE2 TYR 10 44.434 -21.222 11.297 61 HH TYR 10 HH TYR 10 44.963 -21.988 13.470 62 H TYR 11 HN TYR 11 39.731 -25.246 9.450 63 HA TYR 11 HA TYR 11 38.720 -22.678 9.892 64 HB2 TYR 11 HB2 TYR 11 37.187 -23.687 11.276 65 HB3 TYR 11 HB1 TYR 11 37.774 -25.111 10.416 66 HD1 TYR 11 HD2 TYR 11 39.387 -26.651 11.473 67 HD2 TYR 11 HD1 TYR 11 37.771 -23.284 13.595 68 HE1 TYR 11 HE2 TYR 11 40.177 -27.621 13.614 69 HE2 TYR 11 HE1 TYR 11 38.561 -24.254 15.736 70 HH TYR 11 HH TYR 11 40.161 -27.435 15.831 71 H GLY 12 HN GLY 12 38.521 -21.678 12.137 72 HA2 GLY 12 HA2 GLY 12 40.079 -21.877 14.300 73 HA3 GLY 12 HA1 GLY 12 41.217 -21.205 13.136 74 H ALA 13 HN ALA 13 39.413 -19.562 11.700 75 HA ALA 13 HA ALA 13 39.464 -17.213 13.255 76 HB1 ALA 13 HB1 ALA 13 38.231 -17.995 10.644 77 HB2 ALA 13 HB2 ALA 13 39.448 -16.766 10.985 78 HB3 ALA 13 HB3 ALA 13 37.757 -16.468 11.387 79 H ASP 14 HN ASP 14 38.412 -18.013 15.225 80 HA ASP 14 HA ASP 14 35.512 -18.378 15.072 81 HB2 ASP 14 HB2 ASP 14 35.913 -18.576 17.662 82 HB3 ASP 14 HB1 ASP 14 36.365 -19.903 16.593 83 H ASN 15 HN ASN 15 35.279 -16.108 14.295 84 HA ASN 15 HA ASN 15 34.714 -14.374 16.563 85 HB2 ASN 15 HB2 ASN 15 37.019 -13.978 14.819 86 HB3 ASN 15 HB1 ASN 15 35.936 -12.587 14.831 87 HD21 ASN 15 HD21 ASN 15 35.398 -11.664 17.026 88 HD22 ASN 15 HD22 ASN 15 36.519 -11.847 18.288 89 H GLN 16 HN GLN 16 35.138 -13.901 13.061 90 HA GLN 16 HA GLN 16 33.738 -12.673 11.635 91 HB2 GLN 16 HB2 GLN 16 31.803 -14.166 11.026 92 HB3 GLN 16 HB1 GLN 16 33.384 -14.945 11.009 93 HG2 GLN 16 HG2 GLN 16 31.650 -15.019 13.473 94 HG3 GLN 16 HG1 GLN 16 31.429 -16.189 12.175 95 HE21 GLN 16 HE21 GLN 16 32.491 -16.636 14.968 96 HE22 GLN 16 HE22 GLN 16 34.023 -17.335 14.749 97 H SER 17 HN SER 17 33.461 -11.469 14.103 98 HA SER 17 HA SER 17 30.572 -11.194 14.555 99 HB2 SER 17 HB2 SER 17 32.998 -10.274 16.095 100 HB3 SER 17 HB1 SER 17 31.370 -9.724 16.479 101 HG SER 17 HG SER 17 32.431 -11.835 17.401 102 H GLU 18 HN GLU 18 29.478 -9.270 14.283 103 HA GLU 18 HA GLU 18 30.571 -7.460 12.322 104 HB2 GLU 18 HB2 GLU 18 28.119 -8.240 12.568 105 HB3 GLU 18 HB1 GLU 18 28.010 -7.024 13.841 106 HG2 GLU 18 HG2 GLU 18 29.227 -5.574 11.893 107 HG3 GLU 18 HG1 GLU 18 28.261 -6.673 10.910 108 H CYS 19 HN CYS 19 32.365 -7.088 14.112 109 HA CYS 19 HA CYS 19 31.788 -4.450 15.232 110 HB2 CYS 19 HB2 CYS 19 31.420 -6.433 16.943 111 HB3 CYS 19 HB1 CYS 19 33.180 -6.382 17.038 112 HG CYS 19 HG CYS 19 31.442 -4.483 18.464 113 H GLU 20 HN GLU 20 33.319 -5.022 13.015 114 HA GLU 20 HA GLU 20 35.866 -3.935 13.805 115 HB2 GLU 20 HB2 GLU 20 36.538 -6.153 14.237 116 HB3 GLU 20 HB1 GLU 20 35.654 -6.783 12.846 117 HG2 GLU 20 HG2 GLU 20 37.227 -5.969 11.312 118 HG3 GLU 20 HG1 GLU 20 37.860 -4.778 12.447 119 H TYR 21 HN TYR 21 33.807 -5.330 11.311 120 HA TYR 21 HA TYR 21 35.190 -4.464 9.034 121 HB2 TYR 21 HB2 TYR 21 33.363 -5.180 7.879 122 HB3 TYR 21 HB1 TYR 21 32.921 -5.879 9.436 123 HD1 TYR 21 HD1 TYR 21 31.250 -4.799 10.881 124 HD2 TYR 21 HD2 TYR 21 32.253 -3.189 7.027 125 HE1 TYR 21 HE1 TYR 21 29.225 -3.369 10.952 126 HE2 TYR 21 HE2 TYR 21 30.229 -1.758 7.098 127 HH TYR 21 HH TYR 21 27.793 -2.092 8.531 128 H THR 22 HN THR 22 33.998 -2.596 11.490 129 HA THR 22 HA THR 22 33.345 -0.311 9.751 130 HB THR 22 HB THR 22 32.999 -0.668 12.739 131 HG1 THR 22 HG1 THR 22 30.805 -0.301 11.176 132 HG21 THR 22 HG21 THR 22 31.372 1.396 11.847 133 HG22 THR 22 HG22 THR 22 32.877 1.651 10.963 134 HG23 THR 22 HG23 THR 22 32.890 1.587 12.725 135 H ASP 23 HN ASP 23 35.526 -1.351 12.330 136 HA ASP 23 HA ASP 23 37.109 1.115 11.954 137 HB2 ASP 23 HB2 ASP 23 36.795 -0.795 14.252 138 HB3 ASP 23 HB1 ASP 23 38.217 0.239 14.129 139 H TRP 24 HN TRP 24 37.059 -1.449 10.315 140 HA TRP 24 HA TRP 24 39.294 -3.029 10.692 141 HB2 TRP 24 HB2 TRP 24 39.296 -3.028 8.053 142 HB3 TRP 24 HB1 TRP 24 37.969 -3.761 8.948 143 HD1 TRP 24 HD1 TRP 24 38.241 0.028 8.783 144 HE1 TRP 24 HE1 TRP 24 36.284 0.947 7.385 145 HE3 TRP 24 HE3 TRP 24 36.316 -4.345 6.978 146 HZ2 TRP 24 HZ2 TRP 24 34.177 -0.039 5.720 147 HZ3 TRP 24 HZ3 TRP 24 34.335 -4.325 5.490 148 HH2 TRP 24 HH2 TRP 24 33.264 -2.180 4.858 149 H LYS 25 HN LYS 25 39.738 -1.215 7.808 150 HA LYS 25 HA LYS 25 42.448 -0.616 8.434 151 HB2 LYS 25 HB2 LYS 25 40.816 0.678 6.249 152 HB3 LYS 25 HB1 LYS 25 42.555 0.387 6.280 153 HG2 LYS 25 HG2 LYS 25 42.114 -1.523 5.153 154 HG3 LYS 25 HG1 LYS 25 41.482 -2.141 6.679 155 HD2 LYS 25 HD2 LYS 25 39.736 -2.467 5.086 156 HD3 LYS 25 HD1 LYS 25 39.256 -1.062 6.037 157 HE2 LYS 25 HE2 LYS 25 39.036 0.028 4.070 158 HE3 LYS 25 HE1 LYS 25 40.798 0.031 3.995 159 HZ1 LYS 25 HZ1 LYS 25 38.883 -1.606 2.555 160 HZ2 LYS 25 HZ2 LYS 25 40.269 -2.418 3.110 161 HZ3 LYS 25 HZ3 LYS 25 40.422 -1.070 2.088 162 H SER 26 HN SER 26 41.701 0.463 10.557 163 HA SER 26 HA SER 26 41.642 3.370 10.077 164 HB2 SER 26 HB2 SER 26 39.343 2.536 10.675 165 HB3 SER 26 HB1 SER 26 40.001 2.005 12.220 166 HG SER 26 HG SER 26 39.483 4.555 11.261 167 H SER 27 HN SER 27 41.899 0.918 12.662 168 HA SER 27 HA SER 27 44.486 1.970 13.453 169 HB2 SER 27 HB2 SER 27 42.074 2.184 15.263 170 HB3 SER 27 HB1 SER 27 43.737 2.316 15.828 171 HG SER 27 HG SER 27 43.480 4.339 15.294 172 H GLY 28 HN GLY 28 42.980 -0.562 12.596 173 HA2 GLY 28 HA2 GLY 28 43.634 -2.792 12.916 174 HA3 GLY 28 HA1 GLY 28 44.376 -2.334 14.446 175 H ALA 29 HN ALA 29 41.368 -0.946 14.328 176 HA ALA 29 HA ALA 29 39.420 -1.341 15.483 177 HB1 ALA 29 HB1 ALA 29 39.498 -3.165 13.560 178 HB2 ALA 29 HB2 ALA 29 38.245 -3.204 14.801 179 HB3 ALA 29 HB3 ALA 29 39.647 -4.267 14.929 180 H LEU 30 HN LEU 30 41.815 -1.364 17.014 181 HA LEU 30 HA LEU 30 40.972 -3.145 19.211 182 HB2 LEU 30 HB2 LEU 30 43.733 -2.806 18.058 183 HB3 LEU 30 HB1 LEU 30 43.497 -3.313 19.731 184 HG LEU 30 HG LEU 30 41.919 -4.727 17.628 185 HD11 LEU 30 HD11 LEU 30 43.857 -6.293 17.288 186 HD12 LEU 30 HD12 LEU 30 44.885 -5.123 18.116 187 HD13 LEU 30 HD13 LEU 30 44.111 -4.693 16.591 188 HD21 LEU 30 HD21 LEU 30 43.436 -5.735 20.053 189 HD22 LEU 30 HD22 LEU 30 42.171 -6.579 19.159 190 HD23 LEU 30 HD23 LEU 30 41.771 -5.155 20.120 191 H ILE 31 HN ILE 31 42.317 -0.139 18.103 192 HA ILE 31 HA ILE 31 42.831 0.844 20.782 193 HB ILE 31 HB ILE 31 43.500 1.636 18.069 194 HG12 ILE 31 HG12 ILE 31 45.030 1.031 19.985 195 HG13 ILE 31 HG11 ILE 31 45.446 2.526 19.152 196 HG21 ILE 31 HG21 ILE 31 42.549 3.827 19.949 197 HG22 ILE 31 HG22 ILE 31 41.922 3.461 18.340 198 HG23 ILE 31 HG23 ILE 31 43.552 4.095 18.527 199 HD11 ILE 31 HD11 ILE 31 45.091 3.776 21.005 200 HD12 ILE 31 HD12 ILE 31 45.115 2.252 21.889 201 HD13 ILE 31 HD13 ILE 31 43.579 2.951 21.380 202 HA PRO 32 HA PRO 32 38.931 3.485 19.389 203 HB2 PRO 32 HB2 PRO 32 37.438 1.321 18.009 204 HB3 PRO 32 HB1 PRO 32 37.598 3.033 17.579 205 HG2 PRO 32 HG2 PRO 32 38.851 1.119 16.209 206 HG3 PRO 32 HG1 PRO 32 39.582 2.710 16.477 207 HD2 PRO 32 HD2 PRO 32 40.194 0.103 17.818 208 HD3 PRO 32 HD1 PRO 32 41.293 1.427 17.369 209 H ALA 33 HN ALA 33 38.736 0.001 20.010 210 HA ALA 33 HA ALA 33 36.374 -0.024 21.532 211 HB1 ALA 33 HB1 ALA 33 38.027 -1.985 22.639 212 HB2 ALA 33 HB2 ALA 33 38.566 -1.841 20.966 213 HB3 ALA 33 HB3 ALA 33 36.876 -2.202 21.320 214 H ILE 34 HN ILE 34 39.657 0.864 22.339 215 HA ILE 34 HA ILE 34 39.102 0.970 25.196 216 HB ILE 34 HB ILE 34 41.544 1.800 23.610 217 HG12 ILE 34 HG12 ILE 34 41.247 -0.596 25.424 218 HG13 ILE 34 HG11 ILE 34 40.808 -0.686 23.718 219 HG21 ILE 34 HG21 ILE 34 42.316 1.292 26.207 220 HG22 ILE 34 HG22 ILE 34 40.758 2.087 26.431 221 HG23 ILE 34 HG23 ILE 34 42.040 2.899 25.533 222 HD11 ILE 34 HD11 ILE 34 43.513 0.214 24.752 223 HD12 ILE 34 HD12 ILE 34 43.059 -0.006 23.062 224 HD13 ILE 34 HD13 ILE 34 43.162 -1.401 24.137 225 H TYR 35 HN TYR 35 39.584 3.185 22.485 226 HA TYR 35 HA TYR 35 39.710 5.610 23.840 227 HB2 TYR 35 HB2 TYR 35 39.575 4.837 21.197 228 HB3 TYR 35 HB1 TYR 35 38.061 5.713 21.422 229 HD1 TYR 35 HD1 TYR 35 41.747 5.959 21.968 230 HD2 TYR 35 HD2 TYR 35 38.032 8.073 21.542 231 HE1 TYR 35 HE1 TYR 35 42.980 8.110 21.896 232 HE2 TYR 35 HE2 TYR 35 39.265 10.224 21.470 233 HH TYR 35 HH TYR 35 42.827 10.306 21.650 234 H MET 36 HN MET 36 36.908 3.641 22.984 235 HA MET 36 HA MET 36 34.976 5.583 23.856 236 HB2 MET 36 HB2 MET 36 34.737 2.617 23.298 237 HB3 MET 36 HB1 MET 36 33.375 3.682 23.644 238 HG2 MET 36 HG2 MET 36 34.972 4.914 21.617 239 HG3 MET 36 HG1 MET 36 34.665 3.245 21.139 240 HE1 MET 36 HE1 MET 36 33.290 6.680 22.056 241 HE2 MET 36 HE2 MET 36 31.966 6.766 20.898 242 HE3 MET 36 HE3 MET 36 33.605 6.459 20.330 243 H LEU 37 HN LEU 37 36.299 2.575 25.223 244 HA LEU 37 HA LEU 37 34.824 2.411 27.550 245 HB2 LEU 37 HB2 LEU 37 36.549 0.759 26.765 246 HB3 LEU 37 HB1 LEU 37 37.794 1.865 27.338 247 HG LEU 37 HG LEU 37 36.786 1.768 29.621 248 HD11 LEU 37 HD11 LEU 37 34.844 0.035 28.155 249 HD12 LEU 37 HD12 LEU 37 34.572 1.140 29.501 250 HD13 LEU 37 HD13 LEU 37 35.283 -0.447 29.793 251 HD21 LEU 37 HD21 LEU 37 37.422 -0.687 30.014 252 HD22 LEU 37 HD22 LEU 37 38.648 0.329 29.256 253 HD23 LEU 37 HD23 LEU 37 37.694 -0.781 28.274 254 H VAL 38 HN VAL 38 37.258 4.712 26.668 255 HA VAL 38 HA VAL 38 37.412 5.743 29.419 256 HB VAL 38 HB VAL 38 38.995 6.468 26.941 257 HG11 VAL 38 HG11 VAL 38 40.453 7.463 28.928 258 HG12 VAL 38 HG12 VAL 38 38.886 7.549 29.732 259 HG13 VAL 38 HG13 VAL 38 39.145 8.403 28.210 260 HG21 VAL 38 HG21 VAL 38 39.204 4.322 28.843 261 HG22 VAL 38 HG22 VAL 38 40.578 5.408 29.056 262 HG23 VAL 38 HG23 VAL 38 40.262 4.684 27.479 263 H PHE 39 HN PHE 39 35.728 6.217 26.538 264 HA PHE 39 HA PHE 39 35.343 9.088 26.901 265 HB2 PHE 39 HB2 PHE 39 35.516 7.876 24.633 266 HB3 PHE 39 HB1 PHE 39 33.865 7.339 24.944 267 HD1 PHE 39 HD1 PHE 39 36.012 10.381 24.692 268 HD2 PHE 39 HD2 PHE 39 32.024 8.787 24.602 269 HE1 PHE 39 HE1 PHE 39 35.150 12.580 23.936 270 HE2 PHE 39 HE2 PHE 39 31.163 10.986 23.846 271 HZ PHE 39 HZ PHE 39 32.725 12.883 23.513 272 H LEU 40 HN LEU 40 33.033 6.414 26.394 273 HA LEU 40 HA LEU 40 30.791 7.639 27.422 274 HB2 LEU 40 HB2 LEU 40 29.937 5.350 27.905 275 HB3 LEU 40 HB1 LEU 40 30.643 5.497 26.297 276 HG LEU 40 HG LEU 40 32.830 4.768 27.802 277 HD11 LEU 40 HD11 LEU 40 30.427 3.229 28.835 278 HD12 LEU 40 HD12 LEU 40 31.355 4.398 29.774 279 HD13 LEU 40 HD13 LEU 40 32.116 2.905 29.226 280 HD21 LEU 40 HD21 LEU 40 32.149 3.831 25.627 281 HD22 LEU 40 HD22 LEU 40 30.828 2.963 26.408 282 HD23 LEU 40 HD23 LEU 40 32.500 2.540 26.774 283 H LEU 41 HN LEU 41 33.537 6.398 29.139 284 HA LEU 41 HA LEU 41 32.414 6.008 31.686 285 HB2 LEU 41 HB2 LEU 41 35.096 6.362 30.546 286 HB3 LEU 41 HB1 LEU 41 34.951 6.957 32.198 287 HG LEU 41 HG LEU 41 35.613 4.534 32.036 288 HD11 LEU 41 HD11 LEU 41 33.616 5.755 33.679 289 HD12 LEU 41 HD12 LEU 41 34.696 4.423 34.085 290 HD13 LEU 41 HD13 LEU 41 33.122 4.093 33.363 291 HD21 LEU 41 HD21 LEU 41 32.844 3.711 31.449 292 HD22 LEU 41 HD22 LEU 41 34.366 3.009 30.903 293 HD23 LEU 41 HD23 LEU 41 33.697 4.416 30.076 294 H GLY 42 HN GLY 42 33.358 8.907 29.971 295 HA2 GLY 42 HA2 GLY 42 32.851 10.548 32.364 296 HA3 GLY 42 HA1 GLY 42 33.655 11.094 30.896 297 H THR 43 HN THR 43 31.639 9.827 29.156 298 HA THR 43 HA THR 43 29.559 11.894 29.435 299 HB THR 43 HB THR 43 29.222 11.730 27.102 300 HG1 THR 43 HG1 THR 43 30.755 9.843 26.230 301 HG21 THR 43 HG21 THR 43 32.092 11.118 26.899 302 HG22 THR 43 HG22 THR 43 31.701 12.322 28.126 303 HG23 THR 43 HG23 THR 43 31.219 12.582 26.449 304 H THR 44 HN THR 44 28.054 10.152 27.396 305 HA THR 44 HA THR 44 26.252 8.731 27.458 306 HB THR 44 HB THR 44 27.920 7.290 29.534 307 HG1 THR 44 HG1 THR 44 29.159 6.990 27.878 308 HG21 THR 44 HG21 THR 44 25.535 6.527 27.848 309 HG22 THR 44 HG22 THR 44 25.724 6.394 29.597 310 HG23 THR 44 HG23 THR 44 26.620 5.314 28.529 311 H GLY 45 HN GLY 45 27.186 8.300 30.846 312 HA2 GLY 45 HA2 GLY 45 24.933 9.951 31.732 313 HA3 GLY 45 HA1 GLY 45 24.904 8.244 32.164 314 H ASN 46 HN ASN 46 27.434 10.764 32.089 315 HA ASN 46 HA ASN 46 27.828 10.453 34.973 316 HB2 ASN 46 HB2 ASN 46 30.184 10.215 33.107 317 HB3 ASN 46 HB1 ASN 46 30.121 9.881 34.837 318 HD21 ASN 46 HD21 ASN 46 30.170 8.338 31.873 319 HD22 ASN 46 HD22 ASN 46 29.412 6.884 32.315 320 H GLY 47 HN GLY 47 27.714 12.475 35.696 321 HA2 GLY 47 HA2 GLY 47 28.538 14.643 36.048 322 HA3 GLY 47 HA1 GLY 47 29.449 14.517 34.545 323 H LEU 48 HN LEU 48 27.270 13.687 32.889 324 HA LEU 48 HA LEU 48 26.028 16.285 32.465 325 HB2 LEU 48 HB2 LEU 48 26.729 14.018 30.837 326 HB3 LEU 48 HB1 LEU 48 25.022 14.403 30.616 327 HG LEU 48 HG LEU 48 27.254 16.448 30.471 328 HD11 LEU 48 HD11 LEU 48 26.106 16.197 27.955 329 HD12 LEU 48 HD12 LEU 48 26.231 14.528 28.511 330 HD13 LEU 48 HD13 LEU 48 27.671 15.544 28.439 331 HD21 LEU 48 HD21 LEU 48 24.441 16.673 30.765 332 HD22 LEU 48 HD22 LEU 48 24.807 17.107 29.095 333 HD23 LEU 48 HD23 LEU 48 25.590 17.967 30.422 334 H VAL 49 HN VAL 49 25.256 13.316 33.964 335 HA VAL 49 HA VAL 49 22.410 13.409 33.579 336 HB VAL 49 HB VAL 49 24.231 11.863 35.417 337 HG11 VAL 49 HG11 VAL 49 21.939 10.607 35.839 338 HG12 VAL 49 HG12 VAL 49 21.251 12.192 35.484 339 HG13 VAL 49 HG13 VAL 49 22.384 12.002 36.823 340 HG21 VAL 49 HG21 VAL 49 23.519 11.493 32.798 341 HG22 VAL 49 HG22 VAL 49 22.280 10.551 33.626 342 HG23 VAL 49 HG23 VAL 49 23.985 10.188 33.889 343 H LEU 50 HN LEU 50 24.120 13.505 36.694 344 HA LEU 50 HA LEU 50 22.159 14.732 38.180 345 HB2 LEU 50 HB2 LEU 50 24.050 15.590 39.622 346 HB3 LEU 50 HB1 LEU 50 24.100 13.859 39.282 347 HG LEU 50 HG LEU 50 25.468 15.328 37.198 348 HD11 LEU 50 HD11 LEU 50 27.349 16.161 38.565 349 HD12 LEU 50 HD12 LEU 50 26.473 15.728 40.033 350 HD13 LEU 50 HD13 LEU 50 25.851 16.996 38.977 351 HD21 LEU 50 HD21 LEU 50 26.392 13.333 39.292 352 HD22 LEU 50 HD22 LEU 50 27.295 13.782 37.846 353 HD23 LEU 50 HD23 LEU 50 25.757 12.933 37.696 354 H TRP 51 HN TRP 51 23.935 16.079 35.618 355 HA TRP 51 HA TRP 51 23.933 18.817 36.430 356 HB2 TRP 51 HB2 TRP 51 25.398 18.648 34.705 357 HB3 TRP 51 HB1 TRP 51 24.540 17.289 33.979 358 HD1 TRP 51 HD1 TRP 51 22.489 17.833 32.365 359 HE1 TRP 51 HE1 TRP 51 21.870 19.957 31.041 360 HE3 TRP 51 HE3 TRP 51 25.471 21.243 34.723 361 HZ2 TRP 51 HZ2 TRP 51 22.551 22.735 30.988 362 HZ3 TRP 51 HZ3 TRP 51 25.467 23.619 34.016 363 HH2 TRP 51 HH2 TRP 51 24.012 24.368 32.153 364 H THR 52 HN THR 52 21.851 16.950 34.214 365 HA THR 52 HA THR 52 20.053 19.041 33.631 366 HB THR 52 HB THR 52 20.352 16.666 32.551 367 HG1 THR 52 HG1 THR 52 18.026 16.844 31.970 368 HG21 THR 52 HG21 THR 52 17.982 16.077 34.312 369 HG22 THR 52 HG22 THR 52 19.613 15.646 34.827 370 HG23 THR 52 HG23 THR 52 18.946 14.960 33.346 371 H VAL 53 HN VAL 53 20.416 17.016 36.406 372 HA VAL 53 HA VAL 53 17.769 17.221 37.433 373 HB VAL 53 HB VAL 53 20.392 16.742 38.867 374 HG11 VAL 53 HG11 VAL 53 17.532 16.786 39.728 375 HG12 VAL 53 HG12 VAL 53 18.982 17.226 40.630 376 HG13 VAL 53 HG13 VAL 53 18.569 15.527 40.398 377 HG21 VAL 53 HG21 VAL 53 18.284 14.864 37.751 378 HG22 VAL 53 HG22 VAL 53 19.642 14.360 38.756 379 HG23 VAL 53 HG23 VAL 53 19.935 15.051 37.160 380 H PHE 54 HN PHE 54 20.779 18.942 38.288 381 HA PHE 54 HA PHE 54 19.353 20.842 39.930 382 HB2 PHE 54 HB2 PHE 54 22.182 20.284 39.225 383 HB3 PHE 54 HB1 PHE 54 21.798 21.945 39.672 384 HD1 PHE 54 HD2 PHE 54 20.287 22.236 41.806 385 HD2 PHE 54 HD1 PHE 54 22.587 18.717 40.919 386 HE1 PHE 54 HE2 PHE 54 20.214 21.584 44.198 387 HE2 PHE 54 HE1 PHE 54 22.514 18.066 43.310 388 HZ PHE 54 HZ PHE 54 21.328 19.500 44.950 389 H ARG 55 HN ARG 55 18.858 20.559 36.932 390 HA ARG 55 HA ARG 55 19.222 23.416 36.249 391 HB2 ARG 55 HB2 ARG 55 20.031 21.064 34.813 392 HB3 ARG 55 HB1 ARG 55 18.824 21.941 33.873 393 HG2 ARG 55 HG2 ARG 55 21.274 23.219 35.124 394 HG3 ARG 55 HG1 ARG 55 21.171 22.713 33.438 395 HD2 ARG 55 HD2 ARG 55 20.183 24.662 32.921 396 HD3 ARG 55 HD1 ARG 55 18.851 24.268 34.003 397 HE ARG 55 HE ARG 55 20.724 25.198 35.717 398 HH11 ARG 55 HH21 ARG 55 19.463 26.352 32.708 399 HH12 ARG 55 HH22 ARG 55 19.693 28.024 33.095 400 HH21 ARG 55 HH11 ARG 55 21.028 27.389 36.231 401 HH22 ARG 55 HH12 ARG 55 20.578 28.612 35.089 402 H LYS 56 HN LYS 56 17.044 20.870 36.793 403 HA LYS 56 HA LYS 56 14.894 22.224 35.301 404 HB2 LYS 56 HB2 LYS 56 13.680 20.202 35.379 405 HB3 LYS 56 HB1 LYS 56 15.344 19.710 35.064 406 HG2 LYS 56 HG2 LYS 56 15.573 19.492 37.622 407 HG3 LYS 56 HG1 LYS 56 13.811 19.561 37.660 408 HD2 LYS 56 HD2 LYS 56 13.687 17.633 36.139 409 HD3 LYS 56 HD1 LYS 56 15.448 17.571 36.060 410 HE2 LYS 56 HE2 LYS 56 14.364 15.953 37.706 411 HE3 LYS 56 HE1 LYS 56 15.626 16.989 38.373 412 HZ1 LYS 56 HZ1 LYS 56 14.155 18.152 39.597 413 HZ2 LYS 56 HZ2 LYS 56 13.230 16.732 39.472 414 HZ3 LYS 56 HZ3 LYS 56 12.918 18.047 38.441 415 H LYS 57 HN LYS 57 15.768 21.048 38.532 416 HA LYS 57 HA LYS 57 13.369 22.254 39.678 417 HB2 LYS 57 HB2 LYS 57 14.246 21.339 41.821 418 HB3 LYS 57 HB1 LYS 57 14.034 20.105 40.579 419 HG2 LYS 57 HG2 LYS 57 16.642 21.128 40.217 420 HG3 LYS 57 HG1 LYS 57 16.449 20.893 41.954 421 HD2 LYS 57 HD2 LYS 57 15.829 18.806 39.845 422 HD3 LYS 57 HD1 LYS 57 17.293 18.845 40.829 423 HE2 LYS 57 HE2 LYS 57 15.087 19.087 42.606 424 HE3 LYS 57 HE1 LYS 57 14.722 17.760 41.503 425 HZ1 LYS 57 HZ1 LYS 57 16.730 16.683 42.058 426 HZ2 LYS 57 HZ2 LYS 57 16.028 17.151 43.533 427 HZ3 LYS 57 HZ3 LYS 57 17.327 18.037 42.888 428 H GLY 58 HN GLY 58 15.172 24.034 38.415 429 HA2 GLY 58 HA2 GLY 58 16.886 25.313 40.312 430 HA3 GLY 58 HA1 GLY 58 16.369 25.975 38.764 431 H HIS 59 HN HIS 59 15.564 27.944 39.171 432 HA HIS 59 HA HIS 59 13.860 28.342 41.536 433 HB2 HIS 59 HB2 HIS 59 15.741 29.986 40.065 434 HB3 HIS 59 HB1 HIS 59 14.178 30.789 40.220 435 HD2 HIS 59 HD2 HIS 59 16.549 28.857 42.798 436 HE1 HIS 59 HE1 HIS 59 14.738 32.141 44.735 437 HE2 HIS 59 HE2 HIS 59 16.353 30.203 45.026 438 H HIS 60 HN HIS 60 13.884 29.385 38.117 439 HA HIS 60 HA HIS 60 12.125 29.976 36.735 440 HB2 HIS 60 HB2 HIS 60 12.135 27.286 37.210 441 HB3 HIS 60 HB1 HIS 60 10.482 27.710 37.654 442 HD2 HIS 60 HD2 HIS 60 11.511 26.230 34.668 443 HE1 HIS 60 HE1 HIS 60 9.769 29.741 33.099 444 HE2 HIS 60 HE2 HIS 60 10.568 27.398 32.532 445 H HIS 61 HN HIS 61 9.377 29.463 36.953 446 HA HIS 61 HA HIS 61 7.541 30.685 37.662 447 HB2 HIS 61 HB2 HIS 61 8.304 28.790 39.535 448 HB3 HIS 61 HB1 HIS 61 8.082 30.251 40.497 449 HD2 HIS 61 HD2 HIS 61 5.915 28.205 37.849 450 HE1 HIS 61 HE1 HIS 61 3.327 30.269 40.469 451 HE2 HIS 61 HE2 HIS 61 3.430 28.637 38.527 452 H HIS 62 HN HIS 62 10.206 32.119 37.598 453 HA HIS 62 HA HIS 62 10.443 33.917 39.733 454 HB2 HIS 62 HB2 HIS 62 11.479 33.671 37.028 455 HB3 HIS 62 HB1 HIS 62 11.185 35.355 37.463 456 HD2 HIS 62 HD2 HIS 62 12.514 32.607 40.002 457 HE1 HIS 62 HE1 HIS 62 15.414 35.654 39.639 458 HE2 HIS 62 HE2 HIS 62 14.802 33.518 40.869 459 H HIS 63 HN HIS 63 9.957 36.261 39.680 460 HA HIS 63 HA HIS 63 7.218 36.767 39.480 461 HB2 HIS 63 HB2 HIS 63 9.608 38.608 39.557 462 HB3 HIS 63 HB1 HIS 63 7.952 39.216 39.534 463 HD2 HIS 63 HD2 HIS 63 6.362 37.808 41.757 464 HE1 HIS 63 HE1 HIS 63 9.780 37.814 44.235 465 HE2 HIS 63 HE2 HIS 63 7.257 37.523 44.193 466 H HIS 64 HN HIS 64 6.211 38.484 38.086 467 HA HIS 64 HA HIS 64 7.287 39.115 35.537 468 HB2 HIS 64 HB2 HIS 64 5.933 37.692 34.119 469 HB3 HIS 64 HB1 HIS 64 6.878 36.674 35.205 470 HD2 HIS 64 HD2 HIS 64 4.915 36.785 37.855 471 HE1 HIS 64 HE1 HIS 64 1.905 35.408 35.234 472 HE2 HIS 64 HE2 HIS 64 2.562 35.668 37.674 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 8.243 16.504 49.943 2 H2 MET 1 HT2 MET 1 7.863 15.249 48.863 3 H3 MET 1 HT3 MET 1 9.276 16.165 48.640 4 HA MET 1 HA MET 1 10.318 15.244 50.519 5 HB2 MET 1 HB2 MET 1 7.516 14.335 51.133 6 HB3 MET 1 HB1 MET 1 8.895 13.480 51.825 7 HG2 MET 1 HG2 MET 1 8.945 16.449 52.008 8 HG3 MET 1 HG1 MET 1 7.768 15.616 53.023 9 HE1 MET 1 HE1 MET 1 9.543 16.170 55.707 10 HE2 MET 1 HE2 MET 1 9.147 17.184 54.322 11 HE3 MET 1 HE3 MET 1 10.830 16.985 54.807 12 H GLU 2 HN GLU 2 10.640 12.713 50.957 13 HA GLU 2 HA GLU 2 10.164 11.242 48.443 14 HB2 GLU 2 HB2 GLU 2 12.798 11.655 49.860 15 HB3 GLU 2 HB1 GLU 2 12.532 10.340 48.714 16 HG2 GLU 2 HG2 GLU 2 12.643 11.729 46.933 17 HG3 GLU 2 HG1 GLU 2 11.612 12.932 47.704 18 H GLU 3 HN GLU 3 8.563 10.035 49.530 19 HA GLU 3 HA GLU 3 9.674 7.975 51.315 20 HB2 GLU 3 HB2 GLU 3 7.272 9.715 51.849 21 HB3 GLU 3 HB1 GLU 3 7.452 8.129 52.598 22 HG2 GLU 3 HG2 GLU 3 9.611 10.242 52.729 23 HG3 GLU 3 HG1 GLU 3 8.346 10.102 53.950 24 H GLY 4 HN GLY 4 9.367 7.460 48.713 25 HA2 GLY 4 HA2 GLY 4 8.191 5.208 48.224 26 HA3 GLY 4 HA1 GLY 4 6.732 6.183 48.372 27 H GLY 5 HN GLY 5 9.790 7.230 46.954 28 HA2 GLY 5 HA2 GLY 5 8.426 8.053 44.533 29 HA3 GLY 5 HA1 GLY 5 10.127 8.300 44.912 30 H ASP 6 HN ASP 6 11.633 6.661 44.441 31 HA ASP 6 HA ASP 6 12.529 5.123 42.967 32 HB2 ASP 6 HB2 ASP 6 11.341 3.807 44.884 33 HB3 ASP 6 HB1 ASP 6 10.180 3.377 43.629 34 H PHE 7 HN PHE 7 12.304 6.024 40.944 35 HA PHE 7 HA PHE 7 10.332 4.776 39.219 36 HB2 PHE 7 HB2 PHE 7 9.045 6.687 39.981 37 HB3 PHE 7 HB1 PHE 7 10.386 7.776 39.623 38 HD1 PHE 7 HD2 PHE 7 7.959 5.407 38.079 39 HD2 PHE 7 HD1 PHE 7 10.737 8.618 37.429 40 HE1 PHE 7 HE2 PHE 7 7.158 5.626 35.742 41 HE2 PHE 7 HE1 PHE 7 9.936 8.837 35.091 42 HZ PHE 7 HZ PHE 7 8.147 7.341 34.248 43 H ASP 8 HN ASP 8 11.251 4.333 37.317 44 HA ASP 8 HA ASP 8 13.243 6.113 36.162 45 HB2 ASP 8 HB2 ASP 8 13.898 3.314 37.083 46 HB3 ASP 8 HB1 ASP 8 14.850 4.167 35.870 47 H ASN 9 HN ASN 9 10.748 5.627 35.197 48 HA ASN 9 HA ASN 9 9.555 4.842 33.391 49 HB2 ASN 9 HB2 ASN 9 11.648 6.105 32.438 50 HB3 ASN 9 HB1 ASN 9 12.153 4.491 31.942 51 HD21 ASN 9 HD21 ASN 9 11.607 6.241 29.883 52 HD22 ASN 9 HD22 ASN 9 10.123 5.861 29.152 53 H TYR 10 HN TYR 10 10.201 2.854 35.274 54 HA TYR 10 HA TYR 10 10.475 0.571 35.537 55 HB2 TYR 10 HB2 TYR 10 8.254 0.951 34.273 56 HB3 TYR 10 HB1 TYR 10 9.121 0.356 32.858 57 HD1 TYR 10 HD1 TYR 10 8.355 -0.509 36.419 58 HD2 TYR 10 HD2 TYR 10 9.355 -1.954 32.498 59 HE1 TYR 10 HE1 TYR 10 8.024 -2.841 37.193 60 HE2 TYR 10 HE2 TYR 10 9.025 -4.287 33.274 61 HH TYR 10 HH TYR 10 8.574 -5.601 35.001 62 H TYR 11 HN TYR 11 12.687 0.255 35.371 63 HA TYR 11 HA TYR 11 14.243 0.274 33.066 64 HB2 TYR 11 HB2 TYR 11 15.904 -0.797 34.325 65 HB3 TYR 11 HB1 TYR 11 14.935 0.016 35.555 66 HD1 TYR 11 HD1 TYR 11 13.028 -1.330 36.658 67 HD2 TYR 11 HD2 TYR 11 16.205 -3.132 34.396 68 HE1 TYR 11 HE1 TYR 11 12.553 -3.514 37.730 69 HE2 TYR 11 HE2 TYR 11 15.730 -5.317 35.470 70 HH TYR 11 HH TYR 11 13.042 -5.681 37.782 71 H GLY 12 HN GLY 12 15.306 -1.700 32.082 72 HA2 GLY 12 HA2 GLY 12 15.151 -3.998 31.407 73 HA3 GLY 12 HA1 GLY 12 13.437 -3.963 31.805 74 H ALA 13 HN ALA 13 15.272 -1.582 29.932 75 HA ALA 13 HA ALA 13 13.415 -2.019 27.690 76 HB1 ALA 13 HB1 ALA 13 13.460 0.266 28.427 77 HB2 ALA 13 HB2 ALA 13 14.328 0.195 26.893 78 HB3 ALA 13 HB3 ALA 13 15.224 0.295 28.409 79 H ASP 14 HN ASP 14 14.985 -4.059 27.595 80 HA ASP 14 HA ASP 14 17.421 -3.458 26.088 81 HB2 ASP 14 HB2 ASP 14 16.255 -6.026 27.174 82 HB3 ASP 14 HB1 ASP 14 17.715 -5.965 26.187 83 H ASN 15 HN ASN 15 16.116 -2.550 24.292 84 HA ASN 15 HA ASN 15 15.436 -4.686 22.390 85 HB2 ASN 15 HB2 ASN 15 13.642 -2.480 23.325 86 HB3 ASN 15 HB1 ASN 15 13.532 -3.025 21.653 87 HD21 ASN 15 HD21 ASN 15 12.999 -3.986 25.013 88 HD22 ASN 15 HD22 ASN 15 12.177 -5.427 24.653 89 H GLN 16 HN GLN 16 17.441 -2.309 23.018 90 HA GLN 16 HA GLN 16 17.276 -0.822 20.520 91 HB2 GLN 16 HB2 GLN 16 19.221 0.399 21.379 92 HB3 GLN 16 HB1 GLN 16 17.949 0.324 22.600 93 HG2 GLN 16 HG2 GLN 16 19.393 -1.987 23.076 94 HG3 GLN 16 HG1 GLN 16 20.647 -0.823 22.646 95 HE21 GLN 16 HE21 GLN 16 18.180 -1.608 25.045 96 HE22 GLN 16 HE22 GLN 16 18.635 -0.415 26.163 97 H SER 17 HN SER 17 17.484 -3.115 19.485 98 HA SER 17 HA SER 17 20.132 -4.239 19.389 99 HB2 SER 17 HB2 SER 17 18.987 -5.978 18.565 100 HB3 SER 17 HB1 SER 17 17.520 -5.002 18.562 101 HG SER 17 HG SER 17 18.843 -5.901 16.488 102 H GLU 18 HN GLU 18 21.782 -3.478 18.246 103 HA GLU 18 HA GLU 18 21.267 -2.175 15.662 104 HB2 GLU 18 HB2 GLU 18 22.055 -0.792 18.038 105 HB3 GLU 18 HB1 GLU 18 23.405 -0.771 16.903 106 HG2 GLU 18 HG2 GLU 18 21.891 0.052 15.128 107 HG3 GLU 18 HG1 GLU 18 20.555 0.056 16.278 108 H CYS 19 HN CYS 19 22.258 -3.614 14.363 109 HA CYS 19 HA CYS 19 25.130 -4.075 14.803 110 HB2 CYS 19 HB2 CYS 19 25.010 -6.383 14.678 111 HB3 CYS 19 HB1 CYS 19 23.537 -6.026 15.580 112 HG CYS 19 HG CYS 19 22.738 -5.973 12.744 113 H GLU 20 HN GLU 20 22.893 -2.818 12.878 114 HA GLU 20 HA GLU 20 24.015 -3.834 10.353 115 HB2 GLU 20 HB2 GLU 20 21.405 -3.055 11.155 116 HB3 GLU 20 HB1 GLU 20 21.953 -1.891 9.948 117 HG2 GLU 20 HG2 GLU 20 22.570 -3.751 8.440 118 HG3 GLU 20 HG1 GLU 20 21.994 -4.907 9.640 119 H TYR 21 HN TYR 21 23.690 -0.946 12.323 120 HA TYR 21 HA TYR 21 25.129 0.644 10.312 121 HB2 TYR 21 HB2 TYR 21 23.543 2.103 11.014 122 HB3 TYR 21 HB1 TYR 21 23.281 1.240 12.530 123 HD1 TYR 21 HD2 TYR 21 24.780 1.615 14.471 124 HD2 TYR 21 HD1 TYR 21 25.152 3.895 10.849 125 HE1 TYR 21 HE2 TYR 21 26.173 3.285 15.664 126 HE2 TYR 21 HE1 TYR 21 26.543 5.565 12.042 127 HH TYR 21 HH TYR 21 26.718 5.790 15.342 128 H THR 22 HN THR 22 25.681 -1.173 13.117 129 HA THR 22 HA THR 22 28.108 0.342 13.812 130 HB THR 22 HB THR 22 26.908 -2.007 15.287 131 HG1 THR 22 HG1 THR 22 25.416 -0.324 15.223 132 HG21 THR 22 HG21 THR 22 28.201 -0.980 17.173 133 HG22 THR 22 HG22 THR 22 28.892 0.161 16.020 134 HG23 THR 22 HG23 THR 22 29.221 -1.565 15.858 135 H ASP 23 HN ASP 23 27.007 -2.564 12.304 136 HA ASP 23 HA ASP 23 29.597 -3.888 12.497 137 HB2 ASP 23 HB2 ASP 23 27.445 -5.161 12.609 138 HB3 ASP 23 HB1 ASP 23 27.148 -4.717 10.929 139 H TRP 24 HN TRP 24 28.067 -1.633 10.483 140 HA TRP 24 HA TRP 24 28.954 -2.287 7.925 141 HB2 TRP 24 HB2 TRP 24 28.605 -0.010 7.356 142 HB3 TRP 24 HB1 TRP 24 27.443 -0.352 8.638 143 HD1 TRP 24 HD1 TRP 24 28.945 -0.033 11.218 144 HE1 TRP 24 HE1 TRP 24 30.046 2.186 11.934 145 HE3 TRP 24 HE3 TRP 24 29.408 2.232 6.664 146 HZ2 TRP 24 HZ2 TRP 24 30.997 4.602 10.733 147 HZ3 TRP 24 HZ3 TRP 24 30.414 4.490 6.479 148 HH2 TRP 24 HH2 TRP 24 31.208 5.677 8.505 149 H LYS 25 HN LYS 25 30.668 -0.770 10.606 150 HA LYS 25 HA LYS 25 33.215 -1.478 9.460 151 HB2 LYS 25 HB2 LYS 25 32.137 1.129 8.921 152 HB3 LYS 25 HB1 LYS 25 33.551 1.285 9.962 153 HG2 LYS 25 HG2 LYS 25 34.845 -0.142 8.407 154 HG3 LYS 25 HG1 LYS 25 33.436 -0.255 7.352 155 HD2 LYS 25 HD2 LYS 25 34.497 1.528 6.346 156 HD3 LYS 25 HD1 LYS 25 33.551 2.409 7.546 157 HE2 LYS 25 HE2 LYS 25 35.800 3.235 7.707 158 HE3 LYS 25 HE1 LYS 25 35.541 2.197 9.109 159 HZ1 LYS 25 HZ1 LYS 25 37.570 1.499 8.272 160 HZ2 LYS 25 HZ2 LYS 25 37.075 1.634 6.652 161 HZ3 LYS 25 HZ3 LYS 25 36.488 0.367 7.621 162 H SER 26 HN SER 26 33.998 -2.402 11.259 163 HA SER 26 HA SER 26 34.439 -0.717 13.598 164 HB2 SER 26 HB2 SER 26 32.912 -1.667 14.936 165 HB3 SER 26 HB1 SER 26 32.267 -2.515 13.533 166 HG SER 26 HG SER 26 33.316 -4.278 14.106 167 H SER 27 HN SER 27 34.862 -3.818 11.965 168 HA SER 27 HA SER 27 36.579 -5.348 11.993 169 HB2 SER 27 HB2 SER 27 38.152 -2.826 12.559 170 HB3 SER 27 HB1 SER 27 38.855 -4.364 12.068 171 HG SER 27 HG SER 27 36.963 -3.934 10.357 172 H GLY 28 HN GLY 28 35.148 -5.162 14.409 173 HA2 GLY 28 HA2 GLY 28 35.282 -5.978 16.560 174 HA3 GLY 28 HA1 GLY 28 36.933 -6.471 16.193 175 H ALA 29 HN ALA 29 36.491 -3.212 15.519 176 HA ALA 29 HA ALA 29 37.423 -1.329 16.462 177 HB1 ALA 29 HB1 ALA 29 35.408 -1.299 17.747 178 HB2 ALA 29 HB2 ALA 29 36.727 -0.976 18.872 179 HB3 ALA 29 HB3 ALA 29 35.992 -2.578 18.811 180 H LEU 30 HN LEU 30 39.617 -1.681 16.256 181 HA LEU 30 HA LEU 30 41.092 -3.332 18.089 182 HB2 LEU 30 HB2 LEU 30 42.069 -1.245 16.126 183 HB3 LEU 30 HB1 LEU 30 43.069 -2.450 16.937 184 HG LEU 30 HG LEU 30 41.057 -3.988 15.837 185 HD11 LEU 30 HD11 LEU 30 41.820 -1.816 13.861 186 HD12 LEU 30 HD12 LEU 30 40.223 -2.029 14.578 187 HD13 LEU 30 HD13 LEU 30 40.873 -3.257 13.491 188 HD21 LEU 30 HD21 LEU 30 42.803 -4.663 14.211 189 HD22 LEU 30 HD22 LEU 30 43.470 -4.487 15.835 190 HD23 LEU 30 HD23 LEU 30 43.737 -3.226 14.630 191 H ILE 31 HN ILE 31 41.801 0.068 17.379 192 HA ILE 31 HA ILE 31 42.595 0.481 20.132 193 HB ILE 31 HB ILE 31 42.819 2.046 17.595 194 HG12 ILE 31 HG12 ILE 31 44.493 0.339 18.740 195 HG13 ILE 31 HG11 ILE 31 45.095 1.799 17.959 196 HG21 ILE 31 HG21 ILE 31 42.871 3.169 20.398 197 HG22 ILE 31 HG22 ILE 31 42.053 3.808 18.970 198 HG23 ILE 31 HG23 ILE 31 43.808 3.902 19.096 199 HD11 ILE 31 HD11 ILE 31 45.962 1.262 20.340 200 HD12 ILE 31 HD12 ILE 31 44.373 1.792 20.890 201 HD13 ILE 31 HD13 ILE 31 45.422 2.909 20.018 202 HA PRO 32 HA PRO 32 38.778 3.541 19.648 203 HB2 PRO 32 HB2 PRO 32 36.923 1.636 18.330 204 HB3 PRO 32 HB1 PRO 32 37.147 3.372 18.047 205 HG2 PRO 32 HG2 PRO 32 38.007 1.533 16.311 206 HG3 PRO 32 HG1 PRO 32 38.884 3.048 16.591 207 HD2 PRO 32 HD2 PRO 32 39.529 0.288 17.556 208 HD3 PRO 32 HD1 PRO 32 40.624 1.595 17.059 209 H ALA 33 HN ALA 33 38.665 0.057 20.070 210 HA ALA 33 HA ALA 33 36.485 -0.159 21.819 211 HB1 ALA 33 HB1 ALA 33 37.905 -2.172 22.713 212 HB2 ALA 33 HB2 ALA 33 38.964 -1.782 21.357 213 HB3 ALA 33 HB3 ALA 33 37.278 -2.210 21.064 214 H ILE 34 HN ILE 34 39.824 0.787 22.380 215 HA ILE 34 HA ILE 34 39.463 0.836 25.272 216 HB ILE 34 HB ILE 34 41.773 1.476 23.441 217 HG12 ILE 34 HG12 ILE 34 42.804 -0.405 24.674 218 HG13 ILE 34 HG11 ILE 34 41.337 -0.571 25.640 219 HG21 ILE 34 HG21 ILE 34 41.349 2.111 26.344 220 HG22 ILE 34 HG22 ILE 34 42.170 3.060 25.103 221 HG23 ILE 34 HG23 ILE 34 42.958 1.641 25.795 222 HD11 ILE 34 HD11 ILE 34 41.142 -0.640 22.645 223 HD12 ILE 34 HD12 ILE 34 40.085 -1.381 23.847 224 HD13 ILE 34 HD13 ILE 34 41.669 -2.082 23.513 225 H TYR 35 HN TYR 35 39.706 3.088 22.567 226 HA TYR 35 HA TYR 35 39.879 5.474 24.068 227 HB2 TYR 35 HB2 TYR 35 39.895 4.823 21.384 228 HB3 TYR 35 HB1 TYR 35 38.381 5.709 21.568 229 HD1 TYR 35 HD1 TYR 35 38.481 7.942 22.904 230 HD2 TYR 35 HD2 TYR 35 41.925 5.993 21.232 231 HE1 TYR 35 HE1 TYR 35 39.741 10.076 23.012 232 HE2 TYR 35 HE2 TYR 35 43.184 8.127 21.340 233 HH TYR 35 HH TYR 35 41.723 11.053 22.749 234 H MET 36 HN MET 36 37.166 3.478 23.076 235 HA MET 36 HA MET 36 35.162 5.400 23.852 236 HB2 MET 36 HB2 MET 36 35.015 2.454 23.180 237 HB3 MET 36 HB1 MET 36 33.607 3.451 23.544 238 HG2 MET 36 HG2 MET 36 35.291 4.772 21.599 239 HG3 MET 36 HG1 MET 36 34.868 3.151 21.043 240 HE1 MET 36 HE1 MET 36 33.748 6.755 21.647 241 HE2 MET 36 HE2 MET 36 32.521 6.714 20.384 242 HE3 MET 36 HE3 MET 36 34.155 6.158 20.032 243 H LEU 37 HN LEU 37 36.893 2.775 25.370 244 HA LEU 37 HA LEU 37 35.134 2.478 27.608 245 HB2 LEU 37 HB2 LEU 37 37.707 1.391 26.721 246 HB3 LEU 37 HB1 LEU 37 37.619 1.616 28.466 247 HG LEU 37 HG LEU 37 36.812 -0.637 27.699 248 HD11 LEU 37 HD11 LEU 37 35.579 1.189 29.513 249 HD12 LEU 37 HD12 LEU 37 35.595 -0.572 29.587 250 HD13 LEU 37 HD13 LEU 37 34.299 0.261 28.731 251 HD21 LEU 37 HD21 LEU 37 35.584 0.795 25.693 252 HD22 LEU 37 HD22 LEU 37 34.236 0.452 26.778 253 HD23 LEU 37 HD23 LEU 37 35.197 -0.872 26.119 254 H VAL 38 HN VAL 38 36.460 5.178 26.775 255 HA VAL 38 HA VAL 38 37.024 5.997 29.544 256 HB VAL 38 HB VAL 38 38.731 6.715 27.148 257 HG11 VAL 38 HG11 VAL 38 38.560 7.739 29.970 258 HG12 VAL 38 HG12 VAL 38 38.763 8.644 28.469 259 HG13 VAL 38 HG13 VAL 38 40.114 7.728 29.136 260 HG21 VAL 38 HG21 VAL 38 39.325 5.118 29.662 261 HG22 VAL 38 HG22 VAL 38 40.500 5.532 28.414 262 HG23 VAL 38 HG23 VAL 38 39.159 4.452 28.038 263 H PHE 39 HN PHE 39 35.664 6.576 26.458 264 HA PHE 39 HA PHE 39 35.215 9.415 26.881 265 HB2 PHE 39 HB2 PHE 39 35.507 8.080 24.617 266 HB3 PHE 39 HB1 PHE 39 33.768 7.840 24.791 267 HD1 PHE 39 HD2 PHE 39 36.444 10.407 24.561 268 HD2 PHE 39 HD1 PHE 39 32.219 9.635 24.467 269 HE1 PHE 39 HE2 PHE 39 36.041 12.715 23.745 270 HE2 PHE 39 HE1 PHE 39 31.817 11.943 23.649 271 HZ PHE 39 HZ PHE 39 33.727 13.482 23.289 272 H LEU 40 HN LEU 40 33.036 6.635 26.333 273 HA LEU 40 HA LEU 40 30.715 7.956 27.258 274 HB2 LEU 40 HB2 LEU 40 29.719 5.695 27.343 275 HB3 LEU 40 HB1 LEU 40 30.596 5.968 25.837 276 HG LEU 40 HG LEU 40 32.563 4.968 27.498 277 HD11 LEU 40 HD11 LEU 40 29.984 3.457 28.018 278 HD12 LEU 40 HD12 LEU 40 30.860 4.419 29.208 279 HD13 LEU 40 HD13 LEU 40 31.593 2.960 28.541 280 HD21 LEU 40 HD21 LEU 40 32.308 2.908 26.149 281 HD22 LEU 40 HD22 LEU 40 32.149 4.351 25.147 282 HD23 LEU 40 HD23 LEU 40 30.712 3.450 25.631 283 H LEU 41 HN LEU 41 33.377 6.622 28.925 284 HA LEU 41 HA LEU 41 32.011 5.941 31.361 285 HB2 LEU 41 HB2 LEU 41 34.691 5.771 30.314 286 HB3 LEU 41 HB1 LEU 41 34.720 6.482 31.928 287 HG LEU 41 HG LEU 41 33.229 3.939 31.226 288 HD11 LEU 41 HD11 LEU 41 35.275 2.974 31.222 289 HD12 LEU 41 HD12 LEU 41 35.315 3.311 32.953 290 HD13 LEU 41 HD13 LEU 41 36.049 4.443 31.817 291 HD21 LEU 41 HD21 LEU 41 33.092 5.709 33.434 292 HD22 LEU 41 HD22 LEU 41 33.980 4.291 33.991 293 HD23 LEU 41 HD23 LEU 41 32.367 4.106 33.302 294 H GLY 42 HN GLY 42 33.005 8.855 29.904 295 HA2 GLY 42 HA2 GLY 42 33.158 10.295 32.460 296 HA3 GLY 42 HA1 GLY 42 33.582 10.944 30.878 297 H THR 43 HN THR 43 31.374 10.398 29.374 298 HA THR 43 HA THR 43 29.013 11.373 30.789 299 HB THR 43 HB THR 43 30.214 13.434 30.161 300 HG1 THR 43 HG1 THR 43 28.462 14.358 29.233 301 HG21 THR 43 HG21 THR 43 31.075 13.817 28.078 302 HG22 THR 43 HG22 THR 43 29.771 12.948 27.268 303 HG23 THR 43 HG23 THR 43 31.099 12.055 28.008 304 H THR 44 HN THR 44 28.128 12.269 27.973 305 HA THR 44 HA THR 44 26.914 11.373 26.242 306 HB THR 44 HB THR 44 28.629 8.905 26.502 307 HG1 THR 44 HG1 THR 44 29.315 11.122 24.929 308 HG21 THR 44 HG21 THR 44 27.868 8.404 24.427 309 HG22 THR 44 HG22 THR 44 27.992 10.075 23.881 310 HG23 THR 44 HG23 THR 44 26.577 9.548 24.790 311 H GLY 45 HN GLY 45 27.715 8.376 27.984 312 HA2 GLY 45 HA2 GLY 45 24.839 7.788 28.172 313 HA3 GLY 45 HA1 GLY 45 26.145 6.618 28.340 314 H ASN 46 HN ASN 46 26.251 9.719 29.940 315 HA ASN 46 HA ASN 46 25.251 8.677 32.460 316 HB2 ASN 46 HB2 ASN 46 28.152 9.493 32.184 317 HB3 ASN 46 HB1 ASN 46 27.337 9.052 33.683 318 HD21 ASN 46 HD21 ASN 46 28.677 7.771 30.675 319 HD22 ASN 46 HD22 ASN 46 28.551 6.135 31.110 320 H GLY 47 HN GLY 47 24.032 10.290 33.186 321 HA2 GLY 47 HA2 GLY 47 23.639 12.411 34.106 322 HA3 GLY 47 HA1 GLY 47 25.141 12.981 33.382 323 H LEU 48 HN LEU 48 24.246 11.697 30.776 324 HA LEU 48 HA LEU 48 22.554 13.948 29.903 325 HB2 LEU 48 HB2 LEU 48 24.861 12.626 28.790 326 HB3 LEU 48 HB1 LEU 48 23.506 12.525 27.664 327 HG LEU 48 HG LEU 48 24.401 15.089 29.009 328 HD11 LEU 48 HD11 LEU 48 24.850 15.210 26.234 329 HD12 LEU 48 HD12 LEU 48 25.493 13.648 26.743 330 HD13 LEU 48 HD13 LEU 48 26.074 15.131 27.501 331 HD21 LEU 48 HD21 LEU 48 22.027 14.349 27.650 332 HD22 LEU 48 HD22 LEU 48 22.947 15.352 26.528 333 HD23 LEU 48 HD23 LEU 48 22.525 15.974 28.124 334 H VAL 49 HN VAL 49 22.597 10.538 30.353 335 HA VAL 49 HA VAL 49 20.576 9.850 28.450 336 HB VAL 49 HB VAL 49 21.802 8.487 30.830 337 HG11 VAL 49 HG11 VAL 49 19.598 7.707 31.077 338 HG12 VAL 49 HG12 VAL 49 20.323 6.499 30.017 339 HG13 VAL 49 HG13 VAL 49 19.287 7.754 29.342 340 HG21 VAL 49 HG21 VAL 49 22.664 8.661 28.313 341 HG22 VAL 49 HG22 VAL 49 21.516 7.343 28.078 342 HG23 VAL 49 HG23 VAL 49 22.838 7.166 29.231 343 H LEU 50 HN LEU 50 20.570 10.768 31.860 344 HA LEU 50 HA LEU 50 17.749 10.287 32.199 345 HB2 LEU 50 HB2 LEU 50 18.284 11.798 34.311 346 HB3 LEU 50 HB1 LEU 50 18.812 10.116 34.236 347 HG LEU 50 HG LEU 50 20.625 12.194 33.084 348 HD11 LEU 50 HD11 LEU 50 21.606 12.599 35.324 349 HD12 LEU 50 HD12 LEU 50 20.297 11.670 36.054 350 HD13 LEU 50 HD13 LEU 50 19.946 13.188 35.226 351 HD21 LEU 50 HD21 LEU 50 21.405 9.940 34.902 352 HD22 LEU 50 HD22 LEU 50 22.266 10.602 33.514 353 HD23 LEU 50 HD23 LEU 50 20.868 9.557 33.266 354 H TRP 51 HN TRP 51 19.807 13.154 31.781 355 HA TRP 51 HA TRP 51 18.021 15.200 32.095 356 HB2 TRP 51 HB2 TRP 51 19.894 16.247 31.433 357 HB3 TRP 51 HB1 TRP 51 20.487 14.800 30.617 358 HD1 TRP 51 HD1 TRP 51 19.629 14.394 28.077 359 HE1 TRP 51 HE1 TRP 51 18.931 16.088 26.263 360 HE3 TRP 51 HE3 TRP 51 18.814 18.514 30.983 361 HZ2 TRP 51 HZ2 TRP 51 18.134 18.828 26.069 362 HZ3 TRP 51 HZ3 TRP 51 18.087 20.650 29.958 363 HH2 TRP 51 HH2 TRP 51 17.746 20.813 27.508 364 H THR 52 HN THR 52 18.316 13.030 29.322 365 HA THR 52 HA THR 52 16.421 14.403 27.683 366 HB THR 52 HB THR 52 17.537 11.595 27.618 367 HG1 THR 52 HG1 THR 52 17.991 13.187 25.505 368 HG21 THR 52 HG21 THR 52 15.359 12.888 26.044 369 HG22 THR 52 HG22 THR 52 15.582 11.192 26.473 370 HG23 THR 52 HG23 THR 52 16.523 11.900 25.159 371 H VAL 53 HN VAL 53 16.207 11.370 29.558 372 HA VAL 53 HA VAL 53 13.558 10.743 29.149 373 HB VAL 53 HB VAL 53 15.085 10.498 31.753 374 HG11 VAL 53 HG11 VAL 53 12.769 10.090 32.185 375 HG12 VAL 53 HG12 VAL 53 13.510 8.500 31.997 376 HG13 VAL 53 HG13 VAL 53 12.574 9.199 30.676 377 HG21 VAL 53 HG21 VAL 53 16.103 9.510 29.605 378 HG22 VAL 53 HG22 VAL 53 14.724 8.411 29.593 379 HG23 VAL 53 HG23 VAL 53 15.854 8.392 30.947 380 H PHE 54 HN PHE 54 14.865 13.427 30.870 381 HA PHE 54 HA PHE 54 12.324 13.982 32.225 382 HB2 PHE 54 HB2 PHE 54 14.981 14.419 32.929 383 HB3 PHE 54 HB1 PHE 54 14.385 16.018 32.487 384 HD1 PHE 54 HD1 PHE 54 11.655 16.131 33.259 385 HD2 PHE 54 HD2 PHE 54 14.887 14.116 35.245 386 HE1 PHE 54 HE1 PHE 54 10.426 16.276 35.408 387 HE2 PHE 54 HE2 PHE 54 13.658 14.260 37.392 388 HZ PHE 54 HZ PHE 54 11.427 15.341 37.475 389 H ARG 55 HN ARG 55 12.794 14.143 29.250 390 HA ARG 55 HA ARG 55 11.837 16.919 28.905 391 HB2 ARG 55 HB2 ARG 55 13.766 15.421 27.115 392 HB3 ARG 55 HB1 ARG 55 13.030 16.976 26.726 393 HG2 ARG 55 HG2 ARG 55 14.124 17.187 29.348 394 HG3 ARG 55 HG1 ARG 55 15.358 16.466 28.315 395 HD2 ARG 55 HD2 ARG 55 15.561 18.887 28.208 396 HD3 ARG 55 HD1 ARG 55 14.980 18.292 26.656 397 HE ARG 55 HE ARG 55 12.792 18.978 28.352 398 HH11 ARG 55 HH21 ARG 55 15.327 20.295 26.397 399 HH12 ARG 55 HH22 ARG 55 14.472 21.756 26.030 400 HH21 ARG 55 HH11 ARG 55 11.665 20.892 27.874 401 HH22 ARG 55 HH12 ARG 55 12.399 22.093 26.866 402 H LYS 56 HN LYS 56 12.182 13.821 27.159 403 HA LYS 56 HA LYS 56 10.176 14.109 25.299 404 HB2 LYS 56 HB2 LYS 56 10.644 11.526 26.792 405 HB3 LYS 56 HB1 LYS 56 10.134 11.736 25.117 406 HG2 LYS 56 HG2 LYS 56 12.507 13.166 25.235 407 HG3 LYS 56 HG1 LYS 56 12.832 11.763 26.253 408 HD2 LYS 56 HD2 LYS 56 11.762 11.681 23.415 409 HD3 LYS 56 HD1 LYS 56 13.406 11.275 23.910 410 HE2 LYS 56 HE2 LYS 56 11.763 9.751 25.592 411 HE3 LYS 56 HE1 LYS 56 11.006 9.638 24.002 412 HZ1 LYS 56 HZ1 LYS 56 12.675 7.924 24.296 413 HZ2 LYS 56 HZ2 LYS 56 13.863 9.097 24.608 414 HZ3 LYS 56 HZ3 LYS 56 13.144 8.999 23.072 415 H LYS 57 HN LYS 57 9.819 12.717 28.567 416 HA LYS 57 HA LYS 57 6.945 12.611 28.348 417 HB2 LYS 57 HB2 LYS 57 8.801 12.218 30.707 418 HB3 LYS 57 HB1 LYS 57 7.060 11.936 30.743 419 HG2 LYS 57 HG2 LYS 57 7.253 9.957 29.665 420 HG3 LYS 57 HG1 LYS 57 8.378 10.622 28.479 421 HD2 LYS 57 HD2 LYS 57 9.450 8.862 29.852 422 HD3 LYS 57 HD1 LYS 57 10.219 10.432 30.097 423 HE2 LYS 57 HE2 LYS 57 9.505 10.590 32.259 424 HE3 LYS 57 HE1 LYS 57 7.950 9.839 31.904 425 HZ1 LYS 57 HZ1 LYS 57 9.744 8.584 33.293 426 HZ2 LYS 57 HZ2 LYS 57 10.378 8.200 31.765 427 HZ3 LYS 57 HZ3 LYS 57 8.791 7.748 32.167 428 H GLY 58 HN GLY 58 7.860 15.206 27.832 429 HA2 GLY 58 HA2 GLY 58 7.945 17.007 29.937 430 HA3 GLY 58 HA1 GLY 58 7.287 17.377 28.347 431 H HIS 59 HN HIS 59 5.044 17.162 27.981 432 HA HIS 59 HA HIS 59 3.444 17.278 30.449 433 HB2 HIS 59 HB2 HIS 59 2.501 18.035 27.689 434 HB3 HIS 59 HB1 HIS 59 1.863 18.556 29.249 435 HD2 HIS 59 HD2 HIS 59 3.772 20.252 26.645 436 HE1 HIS 59 HE1 HIS 59 5.689 21.564 30.170 437 HE2 HIS 59 HE2 HIS 59 5.408 22.002 27.685 438 H HIS 60 HN HIS 60 3.339 15.892 27.165 439 HA HIS 60 HA HIS 60 1.061 14.348 27.368 440 HB2 HIS 60 HB2 HIS 60 3.151 14.588 25.551 441 HB3 HIS 60 HB1 HIS 60 3.213 12.897 26.047 442 HD2 HIS 60 HD2 HIS 60 0.655 11.493 25.653 443 HE1 HIS 60 HE1 HIS 60 -0.738 14.295 22.820 444 HE2 HIS 60 HE2 HIS 60 -1.135 11.995 23.819 445 H HIS 61 HN HIS 61 0.496 12.470 28.334 446 HA HIS 61 HA HIS 61 2.431 11.306 30.215 447 HB2 HIS 61 HB2 HIS 61 0.436 10.228 31.222 448 HB3 HIS 61 HB1 HIS 61 0.296 11.985 31.173 449 HD2 HIS 61 HD2 HIS 61 -1.910 12.914 29.753 450 HE1 HIS 61 HE1 HIS 61 -3.022 9.243 27.989 451 HE2 HIS 61 HE2 HIS 61 -3.692 11.672 28.303 452 H HIS 62 HN HIS 62 2.478 8.951 30.460 453 HA HIS 62 HA HIS 62 3.030 7.618 28.059 454 HB2 HIS 62 HB2 HIS 62 2.714 6.832 30.906 455 HB3 HIS 62 HB1 HIS 62 2.593 5.541 29.708 456 HD2 HIS 62 HD2 HIS 62 5.121 8.587 29.422 457 HE1 HIS 62 HE1 HIS 62 7.328 4.997 29.663 458 HE2 HIS 62 HE2 HIS 62 7.496 7.508 29.322 459 H HIS 63 HN HIS 63 1.495 7.432 26.521 460 HA HIS 63 HA HIS 63 -1.228 7.270 26.745 461 HB2 HIS 63 HB2 HIS 63 0.628 6.928 24.691 462 HB3 HIS 63 HB1 HIS 63 -0.288 5.422 24.710 463 HD2 HIS 63 HD2 HIS 63 -0.811 9.166 23.783 464 HE1 HIS 63 HE1 HIS 63 -4.516 7.211 23.266 465 HE2 HIS 63 HE2 HIS 63 -3.248 9.374 22.869 466 H HIS 64 HN HIS 64 -2.750 5.546 26.744 467 HA HIS 64 HA HIS 64 -2.321 3.561 28.671 468 HB2 HIS 64 HB2 HIS 64 -4.569 4.027 28.317 469 HB3 HIS 64 HB1 HIS 64 -4.401 4.013 26.561 470 HD2 HIS 64 HD2 HIS 64 -4.631 1.459 25.365 471 HE1 HIS 64 HE1 HIS 64 -5.346 -0.671 28.939 472 HE2 HIS 64 HE2 HIS 64 -5.319 -0.835 26.405 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 68.018 -22.268 -41.195 2 H2 MET 1 HT2 MET 1 69.332 -22.170 -40.122 3 H3 MET 1 HT3 MET 1 69.383 -23.244 -41.437 4 HA MET 1 HA MET 1 70.588 -20.918 -41.505 5 HB2 MET 1 HB2 MET 1 69.347 -22.686 -43.521 6 HB3 MET 1 HB1 MET 1 69.730 -21.063 -44.097 7 HG2 MET 1 HG2 MET 1 71.739 -22.691 -42.542 8 HG3 MET 1 HG1 MET 1 71.583 -22.853 -44.291 9 HE1 MET 1 HE1 MET 1 74.300 -21.463 -42.388 10 HE2 MET 1 HE2 MET 1 74.797 -20.906 -43.984 11 HE3 MET 1 HE3 MET 1 74.024 -22.479 -43.811 12 H GLU 2 HN GLU 2 69.650 -19.120 -40.578 13 HA GLU 2 HA GLU 2 68.257 -17.299 -40.342 14 HB2 GLU 2 HB2 GLU 2 68.211 -17.635 -43.351 15 HB3 GLU 2 HB1 GLU 2 67.671 -16.194 -42.489 16 HG2 GLU 2 HG2 GLU 2 69.916 -15.919 -41.520 17 HG3 GLU 2 HG1 GLU 2 70.463 -17.369 -42.360 18 H GLU 3 HN GLU 3 66.893 -19.529 -39.679 19 HA GLU 3 HA GLU 3 64.182 -18.787 -40.231 20 HB2 GLU 3 HB2 GLU 3 64.350 -19.970 -42.263 21 HB3 GLU 3 HB1 GLU 3 65.335 -21.243 -41.541 22 HG2 GLU 3 HG2 GLU 3 63.507 -22.209 -40.435 23 HG3 GLU 3 HG1 GLU 3 62.547 -20.735 -40.533 24 H GLY 4 HN GLY 4 63.675 -18.806 -38.108 25 HA2 GLY 4 HA2 GLY 4 62.775 -20.879 -36.690 26 HA3 GLY 4 HA1 GLY 4 64.506 -21.018 -36.396 27 H GLY 5 HN GLY 5 65.102 -18.231 -36.379 28 HA2 GLY 5 HA2 GLY 5 64.747 -17.588 -33.688 29 HA3 GLY 5 HA1 GLY 5 65.177 -16.431 -34.946 30 H ASP 6 HN ASP 6 62.744 -17.498 -32.811 31 HA ASP 6 HA ASP 6 60.996 -15.329 -33.665 32 HB2 ASP 6 HB2 ASP 6 59.640 -16.678 -34.849 33 HB3 ASP 6 HB1 ASP 6 60.444 -18.131 -34.257 34 H PHE 7 HN PHE 7 59.604 -14.620 -32.040 35 HA PHE 7 HA PHE 7 59.695 -16.038 -29.464 36 HB2 PHE 7 HB2 PHE 7 60.405 -13.127 -29.890 37 HB3 PHE 7 HB1 PHE 7 60.099 -13.854 -28.312 38 HD1 PHE 7 HD2 PHE 7 61.618 -15.567 -27.392 39 HD2 PHE 7 HD1 PHE 7 62.426 -13.622 -31.136 40 HE1 PHE 7 HE2 PHE 7 63.957 -16.388 -27.314 41 HE2 PHE 7 HE1 PHE 7 64.765 -14.443 -31.057 42 HZ PHE 7 HZ PHE 7 65.531 -15.826 -29.147 43 H ASP 8 HN ASP 8 57.747 -16.146 -28.542 44 HA ASP 8 HA ASP 8 55.791 -14.024 -28.909 45 HB2 ASP 8 HB2 ASP 8 55.563 -15.625 -30.880 46 HB3 ASP 8 HB1 ASP 8 55.037 -16.834 -29.710 47 H ASN 9 HN ASN 9 56.858 -14.427 -26.568 48 HA ASN 9 HA ASN 9 54.749 -15.789 -25.041 49 HB2 ASN 9 HB2 ASN 9 56.845 -17.261 -25.358 50 HB3 ASN 9 HB1 ASN 9 57.639 -16.128 -24.266 51 HD21 ASN 9 HD21 ASN 9 54.533 -17.978 -24.410 52 HD22 ASN 9 HD22 ASN 9 54.542 -18.385 -22.762 53 H TYR 10 HN TYR 10 55.030 -13.044 -25.493 54 HA TYR 10 HA TYR 10 56.504 -11.619 -23.589 55 HB2 TYR 10 HB2 TYR 10 54.035 -11.072 -25.182 56 HB3 TYR 10 HB1 TYR 10 54.449 -9.971 -23.866 57 HD1 TYR 10 HD2 TYR 10 55.683 -11.480 -27.029 58 HD2 TYR 10 HD1 TYR 10 56.307 -8.470 -24.029 59 HE1 TYR 10 HE2 TYR 10 57.399 -10.407 -28.463 60 HE2 TYR 10 HE1 TYR 10 58.023 -7.398 -25.462 61 HH TYR 10 HH TYR 10 58.610 -8.498 -28.761 62 H TYR 11 HN TYR 11 56.373 -11.522 -21.446 63 HA TYR 11 HA TYR 11 54.555 -12.991 -19.907 64 HB2 TYR 11 HB2 TYR 11 55.903 -10.507 -18.874 65 HB3 TYR 11 HB1 TYR 11 55.562 -12.013 -18.023 66 HD1 TYR 11 HD1 TYR 11 56.800 -14.121 -18.710 67 HD2 TYR 11 HD2 TYR 11 57.930 -10.209 -20.077 68 HE1 TYR 11 HE1 TYR 11 59.036 -14.989 -19.344 69 HE2 TYR 11 HE2 TYR 11 60.166 -11.076 -20.709 70 HH TYR 11 HH TYR 11 61.517 -13.643 -19.620 71 H GLY 12 HN GLY 12 53.081 -12.012 -18.220 72 HA2 GLY 12 HA2 GLY 12 51.694 -9.593 -19.161 73 HA3 GLY 12 HA1 GLY 12 50.769 -11.081 -18.978 74 H ALA 13 HN ALA 13 51.362 -12.192 -16.726 75 HA ALA 13 HA ALA 13 50.855 -12.086 -14.479 76 HB1 ALA 13 HB1 ALA 13 53.284 -11.247 -14.699 77 HB2 ALA 13 HB2 ALA 13 52.431 -10.899 -13.195 78 HB3 ALA 13 HB3 ALA 13 52.611 -9.640 -14.418 79 H ASP 14 HN ASP 14 48.665 -11.300 -15.384 80 HA ASP 14 HA ASP 14 48.078 -8.513 -14.711 81 HB2 ASP 14 HB2 ASP 14 46.130 -10.587 -15.714 82 HB3 ASP 14 HB1 ASP 14 45.998 -8.831 -15.811 83 H ASN 15 HN ASN 15 48.781 -9.539 -12.422 84 HA ASN 15 HA ASN 15 46.238 -9.929 -10.992 85 HB2 ASN 15 HB2 ASN 15 48.041 -12.007 -11.414 86 HB3 ASN 15 HB1 ASN 15 48.408 -11.444 -9.784 87 HD21 ASN 15 HD21 ASN 15 46.680 -11.571 -8.162 88 HD22 ASN 15 HD22 ASN 15 45.309 -12.536 -8.424 89 H GLN 16 HN GLN 16 48.213 -7.705 -11.410 90 HA GLN 16 HA GLN 16 49.614 -7.330 -8.940 91 HB2 GLN 16 HB2 GLN 16 49.989 -5.042 -9.765 92 HB3 GLN 16 HB1 GLN 16 50.340 -6.234 -11.018 93 HG2 GLN 16 HG2 GLN 16 47.647 -5.749 -11.390 94 HG3 GLN 16 HG1 GLN 16 48.265 -4.159 -10.943 95 HE21 GLN 16 HE21 GLN 16 49.063 -6.902 -13.151 96 HE22 GLN 16 HE22 GLN 16 49.671 -5.913 -14.388 97 H SER 17 HN SER 17 47.508 -7.964 -7.746 98 HA SER 17 HA SER 17 46.255 -5.460 -6.856 99 HB2 SER 17 HB2 SER 17 44.780 -7.934 -7.760 100 HB3 SER 17 HB1 SER 17 44.044 -6.699 -6.742 101 HG SER 17 HG SER 17 44.154 -6.672 -9.313 102 H GLU 18 HN GLU 18 44.533 -6.424 -4.997 103 HA GLU 18 HA GLU 18 44.594 -6.957 -2.747 104 HB2 GLU 18 HB2 GLU 18 44.244 -9.158 -4.052 105 HB3 GLU 18 HB1 GLU 18 45.925 -9.505 -3.640 106 HG2 GLU 18 HG2 GLU 18 45.410 -9.216 -1.250 107 HG3 GLU 18 HG1 GLU 18 43.733 -8.846 -1.650 108 H CYS 19 HN CYS 19 46.093 -5.479 -1.939 109 HA CYS 19 HA CYS 19 48.488 -6.637 -0.852 110 HB2 CYS 19 HB2 CYS 19 48.813 -5.632 -3.383 111 HB3 CYS 19 HB1 CYS 19 49.225 -4.238 -2.384 112 HG CYS 19 HG CYS 19 50.587 -6.877 -1.551 113 H GLU 20 HN GLU 20 45.975 -5.134 -0.143 114 HA GLU 20 HA GLU 20 47.281 -3.157 1.603 115 HB2 GLU 20 HB2 GLU 20 46.427 -1.725 -0.067 116 HB3 GLU 20 HB1 GLU 20 44.946 -2.669 -0.238 117 HG2 GLU 20 HG2 GLU 20 44.054 -1.874 1.785 118 HG3 GLU 20 HG1 GLU 20 45.632 -1.371 2.390 119 H TYR 21 HN TYR 21 44.495 -5.190 0.881 120 HA TYR 21 HA TYR 21 43.042 -4.759 3.256 121 HB2 TYR 21 HB2 TYR 21 41.690 -6.487 2.556 122 HB3 TYR 21 HB1 TYR 21 42.479 -6.092 1.029 123 HD1 TYR 21 HD1 TYR 21 45.126 -7.201 1.230 124 HD2 TYR 21 HD2 TYR 21 41.420 -8.811 2.689 125 HE1 TYR 21 HE1 TYR 21 46.077 -9.489 1.121 126 HE2 TYR 21 HE2 TYR 21 42.371 -11.098 2.580 127 HH TYR 21 HH TYR 21 44.851 -11.976 0.860 128 H THR 22 HN THR 22 46.110 -5.873 2.988 129 HA THR 22 HA THR 22 45.953 -7.939 5.042 130 HB THR 22 HB THR 22 48.337 -6.736 3.615 131 HG1 THR 22 HG1 THR 22 46.918 -7.949 2.296 132 HG21 THR 22 HG21 THR 22 49.273 -9.043 4.493 133 HG22 THR 22 HG22 THR 22 48.012 -8.853 5.711 134 HG23 THR 22 HG23 THR 22 49.270 -7.628 5.545 135 H ASP 23 HN ASP 23 46.460 -4.552 4.796 136 HA ASP 23 HA ASP 23 47.761 -4.402 7.422 137 HB2 ASP 23 HB2 ASP 23 48.326 -2.987 5.256 138 HB3 ASP 23 HB1 ASP 23 47.007 -1.978 5.848 139 H TRP 24 HN TRP 24 44.885 -5.190 6.896 140 HA TRP 24 HA TRP 24 43.075 -3.211 7.598 141 HB2 TRP 24 HB2 TRP 24 41.886 -5.255 8.783 142 HB3 TRP 24 HB1 TRP 24 42.035 -5.190 7.030 143 HD1 TRP 24 HD1 TRP 24 45.084 -5.977 9.169 144 HE1 TRP 24 HE1 TRP 24 45.793 -8.417 8.746 145 HE3 TRP 24 HE3 TRP 24 41.143 -7.561 6.333 146 HZ2 TRP 24 HZ2 TRP 24 44.819 -10.737 7.384 147 HZ3 TRP 24 HZ3 TRP 24 41.060 -9.889 5.487 148 HH2 TRP 24 HH2 TRP 24 42.891 -11.478 6.008 149 H LYS 25 HN LYS 25 43.179 -5.554 10.114 150 HA LYS 25 HA LYS 25 42.964 -3.772 12.213 151 HB2 LYS 25 HB2 LYS 25 44.332 -6.468 12.344 152 HB3 LYS 25 HB1 LYS 25 43.562 -5.607 13.677 153 HG2 LYS 25 HG2 LYS 25 41.612 -6.592 13.145 154 HG3 LYS 25 HG1 LYS 25 41.645 -5.754 11.593 155 HD2 LYS 25 HD2 LYS 25 42.957 -7.573 10.607 156 HD3 LYS 25 HD1 LYS 25 43.005 -8.404 12.162 157 HE2 LYS 25 HE2 LYS 25 40.303 -7.659 11.200 158 HE3 LYS 25 HE1 LYS 25 41.129 -8.902 10.261 159 HZ1 LYS 25 HZ1 LYS 25 40.741 -10.366 11.856 160 HZ2 LYS 25 HZ2 LYS 25 39.837 -9.199 12.697 161 HZ3 LYS 25 HZ3 LYS 25 41.496 -9.384 13.015 162 H SER 26 HN SER 26 45.921 -5.706 11.845 163 HA SER 26 HA SER 26 48.115 -5.212 12.332 164 HB2 SER 26 HB2 SER 26 47.892 -3.954 10.233 165 HB3 SER 26 HB1 SER 26 47.306 -2.554 11.127 166 HG SER 26 HG SER 26 49.803 -3.235 10.626 167 H SER 27 HN SER 27 46.341 -4.913 14.498 168 HA SER 27 HA SER 27 46.499 -4.183 16.683 169 HB2 SER 27 HB2 SER 27 48.581 -2.149 16.066 170 HB3 SER 27 HB1 SER 27 48.457 -3.256 17.429 171 HG SER 27 HG SER 27 49.193 -4.900 16.147 172 H GLY 28 HN GLY 28 45.551 -2.502 14.061 173 HA2 GLY 28 HA2 GLY 28 45.024 0.054 15.368 174 HA3 GLY 28 HA1 GLY 28 44.632 -0.372 13.703 175 H ALA 29 HN ALA 29 43.578 -2.972 15.239 176 HA ALA 29 HA ALA 29 40.842 -1.924 15.453 177 HB1 ALA 29 HB1 ALA 29 41.247 -3.874 13.979 178 HB2 ALA 29 HB2 ALA 29 40.139 -4.257 15.298 179 HB3 ALA 29 HB3 ALA 29 41.820 -4.788 15.374 180 H LEU 30 HN LEU 30 43.242 -1.997 17.491 181 HA LEU 30 HA LEU 30 41.723 -3.170 19.743 182 HB2 LEU 30 HB2 LEU 30 44.665 -2.480 19.708 183 HB3 LEU 30 HB1 LEU 30 43.799 -3.471 20.884 184 HG LEU 30 HG LEU 30 44.217 -4.142 17.956 185 HD11 LEU 30 HD11 LEU 30 45.386 -5.238 20.528 186 HD12 LEU 30 HD12 LEU 30 46.257 -4.482 19.193 187 HD13 LEU 30 HD13 LEU 30 45.511 -6.065 18.975 188 HD21 LEU 30 HD21 LEU 30 42.171 -5.147 18.452 189 HD22 LEU 30 HD22 LEU 30 42.572 -5.355 20.157 190 HD23 LEU 30 HD23 LEU 30 43.297 -6.412 18.946 191 H ILE 31 HN ILE 31 43.232 -0.289 18.477 192 HA ILE 31 HA ILE 31 43.120 1.206 20.912 193 HB ILE 31 HB ILE 31 44.001 1.629 18.175 194 HG12 ILE 31 HG12 ILE 31 45.357 1.564 20.307 195 HG13 ILE 31 HG11 ILE 31 45.685 2.942 19.260 196 HG21 ILE 31 HG21 ILE 31 42.567 3.932 19.546 197 HG22 ILE 31 HG22 ILE 31 42.189 3.231 17.970 198 HG23 ILE 31 HG23 ILE 31 43.693 4.114 18.203 199 HD11 ILE 31 HD11 ILE 31 45.081 3.091 21.956 200 HD12 ILE 31 HD12 ILE 31 43.534 3.464 21.196 201 HD13 ILE 31 HD13 ILE 31 44.961 4.425 20.810 202 HA PRO 32 HA PRO 32 39.113 2.980 18.690 203 HB2 PRO 32 HB2 PRO 32 38.086 0.419 17.593 204 HB3 PRO 32 HB1 PRO 32 38.075 2.041 16.875 205 HG2 PRO 32 HG2 PRO 32 39.717 0.128 16.003 206 HG3 PRO 32 HG1 PRO 32 40.198 1.833 16.040 207 HD2 PRO 32 HD2 PRO 32 40.988 -0.389 17.884 208 HD3 PRO 32 HD1 PRO 32 41.943 0.995 17.311 209 H ALA 33 HN ALA 33 39.529 -0.162 20.166 210 HA ALA 33 HA ALA 33 36.928 -0.226 21.414 211 HB1 ALA 33 HB1 ALA 33 39.282 -1.841 22.345 212 HB2 ALA 33 HB2 ALA 33 38.500 -2.217 20.809 213 HB3 ALA 33 HB3 ALA 33 37.575 -2.282 22.310 214 H ILE 34 HN ILE 34 40.198 0.724 22.331 215 HA ILE 34 HA ILE 34 39.426 1.246 25.084 216 HB ILE 34 HB ILE 34 41.998 1.808 23.592 217 HG12 ILE 34 HG12 ILE 34 41.683 -0.243 25.749 218 HG13 ILE 34 HG11 ILE 34 41.062 -0.627 24.143 219 HG21 ILE 34 HG21 ILE 34 42.223 3.245 25.372 220 HG22 ILE 34 HG22 ILE 34 42.690 1.755 26.192 221 HG23 ILE 34 HG23 ILE 34 41.048 2.375 26.357 222 HD11 ILE 34 HD11 ILE 34 43.878 0.356 24.678 223 HD12 ILE 34 HD12 ILE 34 43.235 -0.224 23.142 224 HD13 ILE 34 HD13 ILE 34 43.445 -1.343 24.489 225 H TYR 35 HN TYR 35 38.667 2.765 22.362 226 HA TYR 35 HA TYR 35 39.326 5.493 23.164 227 HB2 TYR 35 HB2 TYR 35 39.154 4.419 20.724 228 HB3 TYR 35 HB1 TYR 35 37.475 4.928 20.901 229 HD1 TYR 35 HD1 TYR 35 36.987 7.347 21.529 230 HD2 TYR 35 HD2 TYR 35 40.871 5.997 20.287 231 HE1 TYR 35 HE1 TYR 35 37.643 9.688 21.038 232 HE2 TYR 35 HE2 TYR 35 41.528 8.338 19.797 233 HH TYR 35 HH TYR 35 40.912 10.576 20.367 234 H MET 36 HN MET 36 36.613 3.284 23.139 235 HA MET 36 HA MET 36 34.733 5.379 23.918 236 HB2 MET 36 HB2 MET 36 34.476 2.448 23.278 237 HB3 MET 36 HB1 MET 36 33.155 3.341 24.034 238 HG2 MET 36 HG2 MET 36 32.835 4.709 22.177 239 HG3 MET 36 HG1 MET 36 34.487 4.483 21.600 240 HE1 MET 36 HE1 MET 36 34.940 3.171 19.562 241 HE2 MET 36 HE2 MET 36 33.583 4.255 19.266 242 HE3 MET 36 HE3 MET 36 33.548 2.615 18.623 243 H LEU 37 HN LEU 37 36.482 2.670 25.310 244 HA LEU 37 HA LEU 37 35.119 2.390 27.732 245 HB2 LEU 37 HB2 LEU 37 37.777 1.703 26.683 246 HB3 LEU 37 HB1 LEU 37 37.745 1.951 28.426 247 HG LEU 37 HG LEU 37 37.275 -0.420 27.722 248 HD11 LEU 37 HD11 LEU 37 35.878 1.212 29.605 249 HD12 LEU 37 HD12 LEU 37 36.191 -0.520 29.688 250 HD13 LEU 37 HD13 LEU 37 34.722 0.074 28.915 251 HD21 LEU 37 HD21 LEU 37 35.726 0.741 25.783 252 HD22 LEU 37 HD22 LEU 37 34.505 0.259 26.960 253 HD23 LEU 37 HD23 LEU 37 35.596 -0.947 26.279 254 H VAL 38 HN VAL 38 36.592 5.122 26.556 255 HA VAL 38 HA VAL 38 37.163 6.172 29.263 256 HB VAL 38 HB VAL 38 38.142 7.184 26.583 257 HG11 VAL 38 HG11 VAL 38 38.063 9.030 28.075 258 HG12 VAL 38 HG12 VAL 38 39.725 8.450 28.177 259 HG13 VAL 38 HG13 VAL 38 38.570 8.045 29.447 260 HG21 VAL 38 HG21 VAL 38 39.037 5.029 28.258 261 HG22 VAL 38 HG22 VAL 38 40.234 6.324 28.318 262 HG23 VAL 38 HG23 VAL 38 39.763 5.630 26.767 263 H PHE 39 HN PHE 39 35.038 6.326 26.614 264 HA PHE 39 HA PHE 39 34.192 9.067 27.057 265 HB2 PHE 39 HB2 PHE 39 33.432 6.861 25.191 266 HB3 PHE 39 HB1 PHE 39 32.277 8.163 25.470 267 HD1 PHE 39 HD1 PHE 39 36.015 7.981 25.148 268 HD2 PHE 39 HD2 PHE 39 32.358 9.780 23.789 269 HE1 PHE 39 HE1 PHE 39 37.304 9.447 23.620 270 HE2 PHE 39 HE2 PHE 39 33.647 11.245 22.260 271 HZ PHE 39 HZ PHE 39 36.120 11.080 22.176 272 H LEU 40 HN LEU 40 32.210 6.116 26.934 273 HA LEU 40 HA LEU 40 30.064 6.975 28.391 274 HB2 LEU 40 HB2 LEU 40 29.841 4.538 29.134 275 HB3 LEU 40 HB1 LEU 40 29.919 4.831 27.397 276 HG LEU 40 HG LEU 40 32.572 4.519 28.582 277 HD11 LEU 40 HD11 LEU 40 32.289 2.022 28.881 278 HD12 LEU 40 HD12 LEU 40 30.545 2.283 28.839 279 HD13 LEU 40 HD13 LEU 40 31.512 3.002 30.125 280 HD21 LEU 40 HD21 LEU 40 31.069 3.000 26.425 281 HD22 LEU 40 HD22 LEU 40 32.812 2.966 26.691 282 HD23 LEU 40 HD23 LEU 40 32.030 4.455 26.157 283 H LEU 41 HN LEU 41 33.176 5.875 29.627 284 HA LEU 41 HA LEU 41 32.665 5.478 32.293 285 HB2 LEU 41 HB2 LEU 41 34.981 6.372 30.717 286 HB3 LEU 41 HB1 LEU 41 35.017 6.877 32.406 287 HG LEU 41 HG LEU 41 34.639 4.549 33.121 288 HD11 LEU 41 HD11 LEU 41 33.464 3.381 31.533 289 HD12 LEU 41 HD12 LEU 41 35.087 2.901 31.035 290 HD13 LEU 41 HD13 LEU 41 34.255 4.206 30.189 291 HD21 LEU 41 HD21 LEU 41 36.915 4.767 33.115 292 HD22 LEU 41 HD22 LEU 41 36.955 5.380 31.464 293 HD23 LEU 41 HD23 LEU 41 36.815 3.647 31.757 294 H GLY 42 HN GLY 42 32.728 8.508 30.536 295 HA2 GLY 42 HA2 GLY 42 31.233 9.877 32.523 296 HA3 GLY 42 HA1 GLY 42 32.929 10.341 32.625 297 H THR 43 HN THR 43 30.370 9.904 30.174 298 HA THR 43 HA THR 43 31.270 12.421 28.909 299 HB THR 43 HB THR 43 31.984 10.440 27.577 300 HG1 THR 43 HG1 THR 43 30.176 11.283 25.842 301 HG21 THR 43 HG21 THR 43 29.168 9.898 26.799 302 HG22 THR 43 HG22 THR 43 29.678 9.289 28.374 303 HG23 THR 43 HG23 THR 43 30.537 8.792 26.916 304 H THR 44 HN THR 44 28.641 10.177 29.588 305 HA THR 44 HA THR 44 26.679 12.195 28.715 306 HB THR 44 HB THR 44 25.153 10.077 29.353 307 HG1 THR 44 HG1 THR 44 27.562 8.935 28.413 308 HG21 THR 44 HG21 THR 44 26.748 10.539 26.823 309 HG22 THR 44 HG22 THR 44 25.120 11.114 27.181 310 HG23 THR 44 HG23 THR 44 25.413 9.392 26.935 311 H GLY 45 HN GLY 45 26.138 9.725 31.150 312 HA2 GLY 45 HA2 GLY 45 26.344 11.508 33.397 313 HA3 GLY 45 HA1 GLY 45 24.675 11.216 32.916 314 H ASN 46 HN ASN 46 27.450 9.012 32.851 315 HA ASN 46 HA ASN 46 26.282 6.689 33.587 316 HB2 ASN 46 HB2 ASN 46 28.924 7.709 33.572 317 HB3 ASN 46 HB1 ASN 46 28.697 6.884 35.114 318 HD21 ASN 46 HD21 ASN 46 27.333 6.156 31.855 319 HD22 ASN 46 HD22 ASN 46 27.938 4.570 31.800 320 H GLY 47 HN GLY 47 27.771 8.865 36.004 321 HA2 GLY 47 HA2 GLY 47 26.192 7.573 38.107 322 HA3 GLY 47 HA1 GLY 47 27.537 8.684 38.349 323 H LEU 48 HN LEU 48 26.313 10.491 36.245 324 HA LEU 48 HA LEU 48 24.927 12.217 38.010 325 HB2 LEU 48 HB2 LEU 48 26.199 12.882 35.914 326 HB3 LEU 48 HB1 LEU 48 24.820 12.294 34.993 327 HG LEU 48 HG LEU 48 23.343 13.845 36.299 328 HD11 LEU 48 HD11 LEU 48 25.965 14.443 37.593 329 HD12 LEU 48 HD12 LEU 48 24.340 14.471 38.274 330 HD13 LEU 48 HD13 LEU 48 24.901 15.811 37.276 331 HD21 LEU 48 HD21 LEU 48 24.272 14.432 34.062 332 HD22 LEU 48 HD22 LEU 48 25.646 15.196 34.861 333 HD23 LEU 48 HD23 LEU 48 24.024 15.851 35.079 334 H VAL 49 HN VAL 49 23.721 10.463 35.140 335 HA VAL 49 HA VAL 49 21.032 10.988 35.368 336 HB VAL 49 HB VAL 49 22.285 8.344 34.585 337 HG11 VAL 49 HG11 VAL 49 19.540 9.546 34.268 338 HG12 VAL 49 HG12 VAL 49 19.981 7.926 34.809 339 HG13 VAL 49 HG13 VAL 49 20.141 8.362 33.108 340 HG21 VAL 49 HG21 VAL 49 23.076 9.450 32.788 341 HG22 VAL 49 HG22 VAL 49 22.395 10.958 33.398 342 HG23 VAL 49 HG23 VAL 49 21.426 9.908 32.365 343 H LEU 50 HN LEU 50 23.007 9.137 37.482 344 HA LEU 50 HA LEU 50 20.748 7.747 38.705 345 HB2 LEU 50 HB2 LEU 50 23.731 7.646 39.002 346 HB3 LEU 50 HB1 LEU 50 22.704 7.015 40.292 347 HG LEU 50 HG LEU 50 21.560 5.551 38.676 348 HD11 LEU 50 HD11 LEU 50 21.600 6.546 36.590 349 HD12 LEU 50 HD12 LEU 50 22.933 5.408 36.399 350 HD13 LEU 50 HD13 LEU 50 23.265 7.099 36.769 351 HD21 LEU 50 HD21 LEU 50 24.302 5.377 39.494 352 HD22 LEU 50 HD22 LEU 50 24.156 4.671 37.885 353 HD23 LEU 50 HD23 LEU 50 23.163 4.061 39.208 354 H TRP 51 HN TRP 51 23.045 10.335 39.419 355 HA TRP 51 HA TRP 51 22.372 10.740 42.119 356 HB2 TRP 51 HB2 TRP 51 24.033 12.222 41.897 357 HB3 TRP 51 HB1 TRP 51 23.981 12.030 40.145 358 HD1 TRP 51 HD1 TRP 51 22.102 13.592 38.848 359 HE1 TRP 51 HE1 TRP 51 21.365 16.005 39.378 360 HE3 TRP 51 HE3 TRP 51 23.703 13.958 43.682 361 HZ2 TRP 51 HZ2 TRP 51 21.446 17.847 41.564 362 HZ3 TRP 51 HZ3 TRP 51 23.361 16.052 44.964 363 HH2 TRP 51 HH2 TRP 51 22.236 17.995 43.912 364 H THR 52 HN THR 52 20.841 11.790 39.142 365 HA THR 52 HA THR 52 19.035 13.615 40.483 366 HB THR 52 HB THR 52 19.904 13.750 38.040 367 HG1 THR 52 HG1 THR 52 18.019 14.823 37.497 368 HG21 THR 52 HG21 THR 52 19.061 11.332 37.649 369 HG22 THR 52 HG22 THR 52 18.748 12.527 36.392 370 HG23 THR 52 HG23 THR 52 17.463 12.067 37.508 371 H VAL 53 HN VAL 53 19.012 10.296 39.349 372 HA VAL 53 HA VAL 53 16.271 9.772 39.354 373 HB VAL 53 HB VAL 53 18.682 8.062 39.918 374 HG11 VAL 53 HG11 VAL 53 17.126 6.900 41.220 375 HG12 VAL 53 HG12 VAL 53 16.883 6.168 39.634 376 HG13 VAL 53 HG13 VAL 53 15.765 7.401 40.216 377 HG21 VAL 53 HG21 VAL 53 16.726 7.497 37.759 378 HG22 VAL 53 HG22 VAL 53 18.489 7.465 37.716 379 HG23 VAL 53 HG23 VAL 53 17.631 9.002 37.594 380 H PHE 54 HN PHE 54 18.594 9.220 42.013 381 HA PHE 54 HA PHE 54 16.618 8.562 43.935 382 HB2 PHE 54 HB2 PHE 54 18.395 8.153 45.256 383 HB3 PHE 54 HB1 PHE 54 19.381 8.522 43.842 384 HD1 PHE 54 HD1 PHE 54 17.884 9.947 46.926 385 HD2 PHE 54 HD2 PHE 54 20.636 10.556 43.685 386 HE1 PHE 54 HE1 PHE 54 18.804 11.938 48.082 387 HE2 PHE 54 HE2 PHE 54 21.556 12.549 44.840 388 HZ PHE 54 HZ PHE 54 20.640 13.240 47.039 389 H ARG 55 HN ARG 55 17.660 11.554 42.616 390 HA ARG 55 HA ARG 55 16.903 13.205 44.851 391 HB2 ARG 55 HB2 ARG 55 18.517 13.652 42.769 392 HB3 ARG 55 HB1 ARG 55 17.029 14.310 42.090 393 HG2 ARG 55 HG2 ARG 55 17.914 16.172 43.180 394 HG3 ARG 55 HG1 ARG 55 16.824 15.519 44.403 395 HD2 ARG 55 HD2 ARG 55 19.066 14.111 44.979 396 HD3 ARG 55 HD1 ARG 55 19.790 15.591 44.357 397 HE ARG 55 HE ARG 55 18.230 15.305 46.797 398 HH11 ARG 55 HH21 ARG 55 19.581 17.387 44.388 399 HH12 ARG 55 HH22 ARG 55 19.572 18.792 45.400 400 HH21 ARG 55 HH11 ARG 55 18.216 17.144 48.132 401 HH22 ARG 55 HH12 ARG 55 18.799 18.655 47.519 402 H LYS 56 HN LYS 56 15.560 12.843 41.559 403 HA LYS 56 HA LYS 56 13.263 14.275 41.745 404 HB2 LYS 56 HB2 LYS 56 13.538 11.524 40.509 405 HB3 LYS 56 HB1 LYS 56 12.242 12.669 40.163 406 HG2 LYS 56 HG2 LYS 56 15.086 13.581 39.880 407 HG3 LYS 56 HG1 LYS 56 14.394 12.563 38.616 408 HD2 LYS 56 HD2 LYS 56 12.724 14.851 39.538 409 HD3 LYS 56 HD1 LYS 56 14.164 15.250 38.604 410 HE2 LYS 56 HE2 LYS 56 12.198 14.928 37.136 411 HE3 LYS 56 HE1 LYS 56 13.450 13.729 36.812 412 HZ1 LYS 56 HZ1 LYS 56 12.269 12.138 38.148 413 HZ2 LYS 56 HZ2 LYS 56 11.221 12.754 36.961 414 HZ3 LYS 56 HZ3 LYS 56 11.097 13.290 38.569 415 H LYS 57 HN LYS 57 13.791 11.019 43.041 416 HA LYS 57 HA LYS 57 11.092 10.832 44.074 417 HB2 LYS 57 HB2 LYS 57 13.539 9.087 44.419 418 HB3 LYS 57 HB1 LYS 57 11.962 8.720 45.118 419 HG2 LYS 57 HG2 LYS 57 11.041 8.169 43.097 420 HG3 LYS 57 HG1 LYS 57 11.983 9.376 42.222 421 HD2 LYS 57 HD2 LYS 57 13.908 7.989 42.159 422 HD3 LYS 57 HD1 LYS 57 13.271 6.911 43.401 423 HE2 LYS 57 HE2 LYS 57 13.134 6.005 41.037 424 HE3 LYS 57 HE1 LYS 57 11.600 6.042 41.907 425 HZ1 LYS 57 HZ1 LYS 57 12.564 7.910 39.823 426 HZ2 LYS 57 HZ2 LYS 57 11.258 8.287 40.844 427 HZ3 LYS 57 HZ3 LYS 57 11.167 6.948 39.803 428 H GLY 58 HN GLY 58 12.376 13.138 45.007 429 HA2 GLY 58 HA2 GLY 58 13.175 12.543 47.771 430 HA3 GLY 58 HA1 GLY 58 13.346 14.094 46.954 431 H HIS 59 HN HIS 59 10.427 12.119 46.982 432 HA HIS 59 HA HIS 59 8.997 14.350 48.256 433 HB2 HIS 59 HB2 HIS 59 8.115 11.998 46.590 434 HB3 HIS 59 HB1 HIS 59 6.965 12.969 47.509 435 HD2 HIS 59 HD2 HIS 59 9.856 13.892 44.901 436 HE1 HIS 59 HE1 HIS 59 6.534 16.423 44.282 437 HE2 HIS 59 HE2 HIS 59 8.870 15.843 43.473 438 H HIS 60 HN HIS 60 8.453 10.833 48.308 439 HA HIS 60 HA HIS 60 7.677 9.504 50.039 440 HB2 HIS 60 HB2 HIS 60 9.945 9.159 50.489 441 HB3 HIS 60 HB1 HIS 60 10.190 10.821 51.028 442 HD2 HIS 60 HD2 HIS 60 10.951 10.153 53.668 443 HE1 HIS 60 HE1 HIS 60 7.365 8.186 54.713 444 HE2 HIS 60 HE2 HIS 60 9.567 9.082 55.606 445 H HIS 61 HN HIS 61 5.664 10.383 50.535 446 HA HIS 61 HA HIS 61 5.295 12.680 52.172 447 HB2 HIS 61 HB2 HIS 61 3.503 10.411 51.324 448 HB3 HIS 61 HB1 HIS 61 2.946 11.655 52.444 449 HD2 HIS 61 HD2 HIS 61 5.302 13.182 49.846 450 HE1 HIS 61 HE1 HIS 61 1.393 13.820 48.387 451 HE2 HIS 61 HE2 HIS 61 3.838 14.435 48.085 452 H HIS 62 HN HIS 62 4.457 12.746 54.338 453 HA HIS 62 HA HIS 62 5.910 11.235 56.193 454 HB2 HIS 62 HB2 HIS 62 4.182 12.113 57.847 455 HB3 HIS 62 HB1 HIS 62 5.039 13.331 56.902 456 HD2 HIS 62 HD2 HIS 62 3.451 14.549 54.819 457 HE1 HIS 62 HE1 HIS 62 -0.220 13.001 56.218 458 HE2 HIS 62 HE2 HIS 62 0.850 14.660 54.619 459 H HIS 63 HN HIS 63 4.272 10.294 58.130 460 HA HIS 63 HA HIS 63 3.662 7.693 57.301 461 HB2 HIS 63 HB2 HIS 63 3.329 7.353 59.499 462 HB3 HIS 63 HB1 HIS 63 3.747 9.052 59.720 463 HD2 HIS 63 HD2 HIS 63 1.612 10.684 60.497 464 HE1 HIS 63 HE1 HIS 63 -1.432 7.780 60.137 465 HE2 HIS 63 HE2 HIS 63 -0.907 10.139 60.917 466 H HIS 64 HN HIS 64 1.451 6.670 57.518 467 HA HIS 64 HA HIS 64 -0.937 8.097 57.181 468 HB2 HIS 64 HB2 HIS 64 0.701 8.015 54.815 469 HB3 HIS 64 HB1 HIS 64 -0.783 7.100 54.545 470 HD2 HIS 64 HD2 HIS 64 0.063 10.491 53.730 471 HE1 HIS 64 HE1 HIS 64 -3.653 11.022 55.661 472 HE2 HIS 64 HE2 HIS 64 -1.932 12.122 54.152 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 2.885 -3.882 -34.766 2 H2 MET 1 HT2 MET 1 2.284 -2.627 -35.741 3 H3 MET 1 HT3 MET 1 1.245 -3.459 -34.685 4 HA MET 1 HA MET 1 2.012 -1.178 -33.950 5 HB2 MET 1 HB2 MET 1 2.170 -3.728 -32.371 6 HB3 MET 1 HB1 MET 1 2.593 -2.202 -31.594 7 HG2 MET 1 HG2 MET 1 0.436 -1.300 -31.916 8 HG3 MET 1 HG1 MET 1 0.029 -2.490 -33.154 9 HE1 MET 1 HE1 MET 1 1.202 -2.083 -29.491 10 HE2 MET 1 HE2 MET 1 -0.137 -2.830 -28.623 11 HE3 MET 1 HE3 MET 1 -0.431 -1.421 -29.638 12 H GLU 2 HN GLU 2 3.739 -0.055 -32.888 13 HA GLU 2 HA GLU 2 6.346 -1.154 -32.585 14 HB2 GLU 2 HB2 GLU 2 7.367 0.329 -34.423 15 HB3 GLU 2 HB1 GLU 2 6.580 -1.164 -34.935 16 HG2 GLU 2 HG2 GLU 2 4.759 1.141 -34.736 17 HG3 GLU 2 HG1 GLU 2 6.019 1.325 -35.956 18 H GLU 3 HN GLU 3 6.385 -0.099 -30.632 19 HA GLU 3 HA GLU 3 6.728 2.819 -30.779 20 HB2 GLU 3 HB2 GLU 3 5.133 1.537 -28.562 21 HB3 GLU 3 HB1 GLU 3 5.275 3.251 -28.957 22 HG2 GLU 3 HG2 GLU 3 4.251 2.583 -31.249 23 HG3 GLU 3 HG1 GLU 3 3.759 1.102 -30.429 24 H GLY 4 HN GLY 4 8.986 2.007 -30.670 25 HA2 GLY 4 HA2 GLY 4 10.793 2.371 -29.120 26 HA3 GLY 4 HA1 GLY 4 9.794 1.666 -27.852 27 H GLY 5 HN GLY 5 10.305 0.410 -31.120 28 HA2 GLY 5 HA2 GLY 5 11.042 -2.180 -30.031 29 HA3 GLY 5 HA1 GLY 5 10.797 -1.788 -31.730 30 H ASP 6 HN ASP 6 12.887 -3.333 -31.305 31 HA ASP 6 HA ASP 6 15.194 -3.536 -31.330 32 HB2 ASP 6 HB2 ASP 6 14.630 -2.683 -33.594 33 HB3 ASP 6 HB1 ASP 6 14.881 -1.038 -33.010 34 H PHE 7 HN PHE 7 15.783 -3.147 -29.193 35 HA PHE 7 HA PHE 7 16.135 -0.469 -28.185 36 HB2 PHE 7 HB2 PHE 7 17.411 -2.845 -26.894 37 HB3 PHE 7 HB1 PHE 7 16.606 -1.462 -26.152 38 HD1 PHE 7 HD2 PHE 7 16.114 -4.711 -27.825 39 HD2 PHE 7 HD1 PHE 7 14.183 -1.372 -25.935 40 HE1 PHE 7 HE2 PHE 7 14.002 -6.004 -27.698 41 HE2 PHE 7 HE1 PHE 7 12.071 -2.666 -25.806 42 HZ PHE 7 HZ PHE 7 11.980 -4.982 -26.689 43 H ASP 8 HN ASP 8 18.188 0.393 -27.452 44 HA ASP 8 HA ASP 8 20.595 -0.725 -28.686 45 HB2 ASP 8 HB2 ASP 8 19.565 0.835 -30.357 46 HB3 ASP 8 HB1 ASP 8 19.753 2.137 -29.183 47 H ASN 9 HN ASN 9 20.247 -0.867 -26.075 48 HA ASN 9 HA ASN 9 22.056 1.203 -25.026 49 HB2 ASN 9 HB2 ASN 9 19.592 1.640 -24.439 50 HB3 ASN 9 HB1 ASN 9 19.713 0.215 -23.410 51 HD21 ASN 9 HD21 ASN 9 19.449 3.177 -22.689 52 HD22 ASN 9 HD22 ASN 9 20.746 3.466 -21.633 53 H TYR 10 HN TYR 10 22.780 -1.357 -25.859 54 HA TYR 10 HA TYR 10 22.739 -3.398 -23.979 55 HB2 TYR 10 HB2 TYR 10 25.159 -2.731 -25.654 56 HB3 TYR 10 HB1 TYR 10 24.618 -4.318 -25.110 57 HD1 TYR 10 HD2 TYR 10 22.296 -5.125 -25.922 58 HD2 TYR 10 HD1 TYR 10 24.457 -1.887 -27.736 59 HE1 TYR 10 HE2 TYR 10 20.932 -5.369 -27.978 60 HE2 TYR 10 HE1 TYR 10 23.094 -2.130 -29.793 61 HH TYR 10 HH TYR 10 20.639 -4.697 -30.076 62 H TYR 11 HN TYR 11 22.953 -2.727 -21.863 63 HA TYR 11 HA TYR 11 24.839 -0.932 -20.846 64 HB2 TYR 11 HB2 TYR 11 23.082 -3.032 -19.744 65 HB3 TYR 11 HB1 TYR 11 24.497 -2.648 -18.763 66 HD1 TYR 11 HD1 TYR 11 21.371 -1.343 -20.210 67 HD2 TYR 11 HD2 TYR 11 24.807 -0.425 -17.801 68 HE1 TYR 11 HE1 TYR 11 20.269 0.736 -19.430 69 HE2 TYR 11 HE2 TYR 11 23.704 1.654 -17.019 70 HH TYR 11 HH TYR 11 21.987 3.104 -17.476 71 H GLY 12 HN GLY 12 26.492 -1.792 -19.088 72 HA2 GLY 12 HA2 GLY 12 27.915 -4.070 -19.096 73 HA3 GLY 12 HA1 GLY 12 28.474 -3.307 -20.583 74 H ALA 13 HN ALA 13 29.290 -3.739 -17.473 75 HA ALA 13 HA ALA 13 31.250 -1.663 -17.485 76 HB1 ALA 13 HB1 ALA 13 29.134 -0.426 -16.819 77 HB2 ALA 13 HB2 ALA 13 30.477 -0.304 -15.683 78 HB3 ALA 13 HB3 ALA 13 29.135 -1.395 -15.346 79 H ASP 14 HN ASP 14 31.578 -4.340 -17.306 80 HA ASP 14 HA ASP 14 31.849 -5.072 -14.488 81 HB2 ASP 14 HB2 ASP 14 32.719 -6.718 -16.860 82 HB3 ASP 14 HB1 ASP 14 32.280 -7.272 -15.245 83 H ASN 15 HN ASN 15 33.437 -3.227 -14.269 84 HA ASN 15 HA ASN 15 36.136 -4.311 -14.541 85 HB2 ASN 15 HB2 ASN 15 35.210 -1.743 -15.819 86 HB3 ASN 15 HB1 ASN 15 36.899 -2.013 -15.393 87 HD21 ASN 15 HD21 ASN 15 38.089 -3.653 -16.594 88 HD22 ASN 15 HD22 ASN 15 37.472 -4.322 -18.027 89 H GLN 16 HN GLN 16 34.229 -3.723 -12.361 90 HA GLN 16 HA GLN 16 35.522 -1.487 -10.967 91 HB2 GLN 16 HB2 GLN 16 33.733 -1.783 -9.301 92 HB3 GLN 16 HB1 GLN 16 33.069 -1.586 -10.923 93 HG2 GLN 16 HG2 GLN 16 33.499 -4.339 -10.674 94 HG3 GLN 16 HG1 GLN 16 32.851 -3.851 -9.110 95 HE21 GLN 16 HE21 GLN 16 32.186 -2.955 -12.554 96 HE22 GLN 16 HE22 GLN 16 30.501 -3.093 -12.406 97 H SER 17 HN SER 17 37.482 -3.077 -11.088 98 HA SER 17 HA SER 17 37.434 -5.101 -8.981 99 HB2 SER 17 HB2 SER 17 39.005 -4.605 -11.355 100 HB3 SER 17 HB1 SER 17 40.053 -4.816 -9.955 101 HG SER 17 HG SER 17 39.101 -6.782 -9.562 102 H GLU 18 HN GLU 18 37.853 -4.557 -6.947 103 HA GLU 18 HA GLU 18 39.422 -2.124 -6.407 104 HB2 GLU 18 HB2 GLU 18 37.308 -3.630 -4.942 105 HB3 GLU 18 HB1 GLU 18 38.524 -2.784 -3.983 106 HG2 GLU 18 HG2 GLU 18 36.447 -1.429 -4.572 107 HG3 GLU 18 HG1 GLU 18 37.989 -0.682 -4.984 108 H CYS 19 HN CYS 19 40.680 -2.341 -4.225 109 HA CYS 19 HA CYS 19 41.754 -4.768 -3.361 110 HB2 CYS 19 HB2 CYS 19 44.092 -4.336 -4.513 111 HB3 CYS 19 HB1 CYS 19 42.845 -5.275 -5.334 112 HG CYS 19 HG CYS 19 43.700 -2.391 -6.078 113 H GLU 20 HN GLU 20 43.798 -4.458 -2.096 114 HA GLU 20 HA GLU 20 44.894 -3.349 -0.408 115 HB2 GLU 20 HB2 GLU 20 45.709 -2.188 -2.602 116 HB3 GLU 20 HB1 GLU 20 44.729 -0.834 -2.038 117 HG2 GLU 20 HG2 GLU 20 46.019 -1.392 0.252 118 HG3 GLU 20 HG1 GLU 20 47.230 -1.973 -0.890 119 H TYR 21 HN TYR 21 41.804 -2.988 -0.930 120 HA TYR 21 HA TYR 21 41.370 -0.632 0.773 121 HB2 TYR 21 HB2 TYR 21 39.376 -0.399 -0.263 122 HB3 TYR 21 HB1 TYR 21 40.028 -1.524 -1.454 123 HD1 TYR 21 HD2 TYR 21 39.554 -3.977 -1.245 124 HD2 TYR 21 HD1 TYR 21 37.646 -1.055 1.257 125 HE1 TYR 21 HE2 TYR 21 37.826 -5.642 -0.621 126 HE2 TYR 21 HE1 TYR 21 35.917 -2.720 1.882 127 HH TYR 21 HH TYR 21 35.898 -5.411 1.953 128 H THR 22 HN THR 22 41.918 -3.859 1.153 129 HA THR 22 HA THR 22 40.031 -4.195 3.382 130 HB THR 22 HB THR 22 41.918 -6.178 2.088 131 HG1 THR 22 HG1 THR 22 39.098 -5.918 1.956 132 HG21 THR 22 HG21 THR 22 39.977 -6.323 4.374 133 HG22 THR 22 HG22 THR 22 41.594 -7.015 4.241 134 HG23 THR 22 HG23 THR 22 40.247 -7.745 3.367 135 H ASP 23 HN ASP 23 43.393 -3.682 2.670 136 HA ASP 23 HA ASP 23 44.228 -4.323 5.395 137 HB2 ASP 23 HB2 ASP 23 46.425 -4.186 4.624 138 HB3 ASP 23 HB1 ASP 23 45.564 -4.783 3.206 139 H TRP 24 HN TRP 24 42.416 -2.006 4.596 140 HA TRP 24 HA TRP 24 43.652 0.458 4.799 141 HB2 TRP 24 HB2 TRP 24 41.432 1.039 6.123 142 HB3 TRP 24 HB1 TRP 24 41.390 0.653 4.406 143 HD1 TRP 24 HD1 TRP 24 41.949 -2.105 6.973 144 HE1 TRP 24 HE1 TRP 24 39.906 -3.674 6.968 145 HE3 TRP 24 HE3 TRP 24 38.815 0.538 3.928 146 HZ2 TRP 24 HZ2 TRP 24 37.287 -3.795 5.822 147 HZ3 TRP 24 HZ3 TRP 24 36.555 -0.327 3.395 148 HH2 TRP 24 HH2 TRP 24 35.787 -2.488 4.339 149 H LYS 25 HN LYS 25 41.750 -0.068 7.622 150 HA LYS 25 HA LYS 25 43.613 1.064 9.376 151 HB2 LYS 25 HB2 LYS 25 41.346 -0.836 10.025 152 HB3 LYS 25 HB1 LYS 25 42.166 0.219 11.174 153 HG2 LYS 25 HG2 LYS 25 41.427 2.197 9.945 154 HG3 LYS 25 HG1 LYS 25 40.684 1.180 8.710 155 HD2 LYS 25 HD2 LYS 25 39.834 0.586 11.477 156 HD3 LYS 25 HD1 LYS 25 39.346 2.172 10.876 157 HE2 LYS 25 HE2 LYS 25 38.941 -0.333 9.240 158 HE3 LYS 25 HE1 LYS 25 37.743 0.208 10.415 159 HZ1 LYS 25 HZ1 LYS 25 37.346 2.147 9.243 160 HZ2 LYS 25 HZ2 LYS 25 37.535 1.000 8.003 161 HZ3 LYS 25 HZ3 LYS 25 38.805 2.062 8.383 162 H SER 26 HN SER 26 42.526 -2.321 9.604 163 HA SER 26 HA SER 26 43.632 -4.228 10.253 164 HB2 SER 26 HB2 SER 26 44.925 -3.363 8.094 165 HB3 SER 26 HB1 SER 26 46.227 -3.144 9.260 166 HG SER 26 HG SER 26 45.469 -5.373 8.104 167 H SER 27 HN SER 27 43.889 -1.499 11.802 168 HA SER 27 HA SER 27 45.289 -2.617 14.039 169 HB2 SER 27 HB2 SER 27 46.579 -0.277 12.618 170 HB3 SER 27 HB1 SER 27 47.089 -0.955 14.162 171 HG SER 27 HG SER 27 47.001 -2.288 11.652 172 H GLY 28 HN GLY 28 43.989 0.264 12.457 173 HA2 GLY 28 HA2 GLY 28 43.519 1.707 14.891 174 HA3 GLY 28 HA1 GLY 28 42.874 2.105 13.301 175 H ALA 29 HN ALA 29 42.247 -1.105 14.046 176 HA ALA 29 HA ALA 29 39.463 -0.442 14.745 177 HB1 ALA 29 HB1 ALA 29 40.559 -3.087 13.774 178 HB2 ALA 29 HB2 ALA 29 39.939 -1.834 12.699 179 HB3 ALA 29 HB3 ALA 29 38.868 -2.600 13.872 180 H LEU 30 HN LEU 30 42.172 -1.042 16.360 181 HA LEU 30 HA LEU 30 40.887 -2.815 18.352 182 HB2 LEU 30 HB2 LEU 30 43.846 -2.281 18.049 183 HB3 LEU 30 HB1 LEU 30 43.072 -3.522 19.035 184 HG LEU 30 HG LEU 30 42.996 -3.355 16.007 185 HD11 LEU 30 HD11 LEU 30 44.157 -5.623 17.585 186 HD12 LEU 30 HD12 LEU 30 45.114 -4.157 17.380 187 HD13 LEU 30 HD13 LEU 30 44.571 -5.062 15.966 188 HD21 LEU 30 HD21 LEU 30 41.577 -5.046 18.038 189 HD22 LEU 30 HD22 LEU 30 42.046 -5.780 16.505 190 HD23 LEU 30 HD23 LEU 30 40.972 -4.382 16.520 191 H ILE 31 HN ILE 31 42.367 0.270 17.752 192 HA ILE 31 HA ILE 31 42.659 0.936 20.548 193 HB ILE 31 HB ILE 31 43.160 2.343 17.960 194 HG12 ILE 31 HG12 ILE 31 44.758 0.882 19.488 195 HG13 ILE 31 HG11 ILE 31 45.358 2.335 18.693 196 HG21 ILE 31 HG21 ILE 31 42.668 3.659 20.634 197 HG22 ILE 31 HG22 ILE 31 42.041 4.118 19.051 198 HG23 ILE 31 HG23 ILE 31 43.741 4.382 19.435 199 HD11 ILE 31 HD11 ILE 31 44.172 2.460 21.465 200 HD12 ILE 31 HD12 ILE 31 45.257 3.607 20.680 201 HD13 ILE 31 HD13 ILE 31 45.867 2.043 21.217 202 HA PRO 32 HA PRO 32 38.737 3.612 19.266 203 HB2 PRO 32 HB2 PRO 32 37.277 1.461 17.828 204 HB3 PRO 32 HB1 PRO 32 37.386 3.193 17.460 205 HG2 PRO 32 HG2 PRO 32 38.666 1.367 16.001 206 HG3 PRO 32 HG1 PRO 32 39.360 2.966 16.321 207 HD2 PRO 32 HD2 PRO 32 40.060 0.325 17.552 208 HD3 PRO 32 HD1 PRO 32 41.115 1.693 17.139 209 H ALA 33 HN ALA 33 38.917 0.200 20.003 210 HA ALA 33 HA ALA 33 36.481 0.056 21.508 211 HB1 ALA 33 HB1 ALA 33 37.526 -1.940 20.503 212 HB2 ALA 33 HB2 ALA 33 37.327 -2.124 22.246 213 HB3 ALA 33 HB3 ALA 33 38.913 -1.747 21.575 214 H ILE 34 HN ILE 34 39.857 0.729 22.250 215 HA ILE 34 HA ILE 34 39.365 0.775 25.117 216 HB ILE 34 HB ILE 34 41.783 1.269 23.389 217 HG12 ILE 34 HG12 ILE 34 42.646 -0.658 24.654 218 HG13 ILE 34 HG11 ILE 34 41.166 -0.702 25.614 219 HG21 ILE 34 HG21 ILE 34 41.336 1.888 26.306 220 HG22 ILE 34 HG22 ILE 34 42.116 2.883 25.075 221 HG23 ILE 34 HG23 ILE 34 42.939 1.458 25.709 222 HD11 ILE 34 HD11 ILE 34 39.863 -1.435 23.812 223 HD12 ILE 34 HD12 ILE 34 41.381 -2.291 23.545 224 HD13 ILE 34 HD13 ILE 34 41.012 -0.840 22.615 225 H TYR 35 HN TYR 35 39.270 2.951 22.463 226 HA TYR 35 HA TYR 35 39.804 5.368 23.901 227 HB2 TYR 35 HB2 TYR 35 39.488 4.672 21.230 228 HB3 TYR 35 HB1 TYR 35 38.079 5.675 21.576 229 HD1 TYR 35 HD2 TYR 35 41.793 5.553 21.731 230 HD2 TYR 35 HD1 TYR 35 38.285 8.023 21.957 231 HE1 TYR 35 HE2 TYR 35 43.216 7.582 21.660 232 HE2 TYR 35 HE1 TYR 35 39.709 10.052 21.886 233 HH TYR 35 HH TYR 35 42.178 10.529 20.899 234 H MET 36 HN MET 36 36.936 3.467 23.197 235 HA MET 36 HA MET 36 35.099 5.472 24.167 236 HB2 MET 36 HB2 MET 36 34.777 2.557 23.436 237 HB3 MET 36 HB1 MET 36 33.445 3.564 24.008 238 HG2 MET 36 HG2 MET 36 33.481 4.926 22.112 239 HG3 MET 36 HG1 MET 36 35.158 4.528 21.738 240 HE1 MET 36 HE1 MET 36 33.712 3.226 18.615 241 HE2 MET 36 HE2 MET 36 35.335 3.137 19.295 242 HE3 MET 36 HE3 MET 36 34.369 4.592 19.527 243 H LEU 37 HN LEU 37 36.680 2.592 25.445 244 HA LEU 37 HA LEU 37 35.209 2.227 27.786 245 HB2 LEU 37 HB2 LEU 37 37.878 1.491 26.806 246 HB3 LEU 37 HB1 LEU 37 37.794 1.653 28.559 247 HG LEU 37 HG LEU 37 37.259 -0.660 27.722 248 HD11 LEU 37 HD11 LEU 37 35.852 0.937 29.629 249 HD12 LEU 37 HD12 LEU 37 36.095 -0.809 29.639 250 HD13 LEU 37 HD13 LEU 37 34.683 -0.122 28.841 251 HD21 LEU 37 HD21 LEU 37 35.630 -1.045 26.184 252 HD22 LEU 37 HD22 LEU 37 35.826 0.662 25.790 253 HD23 LEU 37 HD23 LEU 37 34.548 0.153 26.894 254 H VAL 38 HN VAL 38 36.891 4.943 26.838 255 HA VAL 38 HA VAL 38 37.011 5.928 29.620 256 HB VAL 38 HB VAL 38 38.952 6.810 27.494 257 HG11 VAL 38 HG11 VAL 38 39.692 6.671 30.349 258 HG12 VAL 38 HG12 VAL 38 38.379 7.791 29.991 259 HG13 VAL 38 HG13 VAL 38 39.937 7.973 29.186 260 HG21 VAL 38 HG21 VAL 38 40.498 5.181 28.905 261 HG22 VAL 38 HG22 VAL 38 39.556 4.567 27.546 262 HG23 VAL 38 HG23 VAL 38 38.974 4.343 29.197 263 H PHE 39 HN PHE 39 35.082 6.123 27.266 264 HA PHE 39 HA PHE 39 34.913 9.077 27.223 265 HB2 PHE 39 HB2 PHE 39 35.572 7.839 25.015 266 HB3 PHE 39 HB1 PHE 39 33.862 7.407 24.964 267 HD1 PHE 39 HD1 PHE 39 36.143 10.345 25.382 268 HD2 PHE 39 HD2 PHE 39 32.280 8.936 24.142 269 HE1 PHE 39 HE1 PHE 39 35.594 12.607 24.523 270 HE2 PHE 39 HE2 PHE 39 31.731 11.196 23.282 271 HZ PHE 39 HZ PHE 39 33.388 13.032 23.472 272 H LEU 40 HN LEU 40 33.211 5.985 27.192 273 HA LEU 40 HA LEU 40 30.592 7.146 27.341 274 HB2 LEU 40 HB2 LEU 40 29.857 4.843 27.860 275 HB3 LEU 40 HB1 LEU 40 30.905 4.894 26.443 276 HG LEU 40 HG LEU 40 32.721 4.579 28.492 277 HD11 LEU 40 HD11 LEU 40 30.442 2.690 29.096 278 HD12 LEU 40 HD12 LEU 40 30.648 4.204 29.976 279 HD13 LEU 40 HD13 LEU 40 31.906 2.970 30.039 280 HD21 LEU 40 HD21 LEU 40 32.689 3.376 26.340 281 HD22 LEU 40 HD22 LEU 40 31.303 2.431 26.882 282 HD23 LEU 40 HD23 LEU 40 32.864 2.242 27.680 283 H LEU 41 HN LEU 41 33.075 6.354 29.627 284 HA LEU 41 HA LEU 41 31.264 6.448 31.907 285 HB2 LEU 41 HB2 LEU 41 33.034 5.661 33.180 286 HB3 LEU 41 HB1 LEU 41 33.450 5.015 31.599 287 HG LEU 41 HG LEU 41 34.746 7.275 31.285 288 HD11 LEU 41 HD11 LEU 41 34.970 8.629 33.073 289 HD12 LEU 41 HD12 LEU 41 35.528 7.285 34.065 290 HD13 LEU 41 HD13 LEU 41 33.808 7.634 33.945 291 HD21 LEU 41 HD21 LEU 41 35.726 5.100 33.157 292 HD22 LEU 41 HD22 LEU 41 36.751 6.223 32.262 293 HD23 LEU 41 HD23 LEU 41 35.775 5.038 31.395 294 H GLY 42 HN GLY 42 33.376 8.550 30.133 295 HA2 GLY 42 HA2 GLY 42 33.540 10.564 32.208 296 HA3 GLY 42 HA1 GLY 42 34.129 10.712 30.555 297 H THR 43 HN THR 43 31.432 9.782 29.564 298 HA THR 43 HA THR 43 29.473 11.678 30.375 299 HB THR 43 HB THR 43 30.991 13.267 29.281 300 HG1 THR 43 HG1 THR 43 29.339 14.209 28.388 301 HG21 THR 43 HG21 THR 43 30.565 12.226 26.573 302 HG22 THR 43 HG22 THR 43 31.548 11.164 27.581 303 HG23 THR 43 HG23 THR 43 32.039 12.839 27.324 304 H THR 44 HN THR 44 28.889 11.873 27.291 305 HA THR 44 HA THR 44 27.565 10.754 25.783 306 HB THR 44 HB THR 44 28.505 8.166 27.003 307 HG1 THR 44 HG1 THR 44 30.447 8.776 26.558 308 HG21 THR 44 HG21 THR 44 28.303 7.371 24.721 309 HG22 THR 44 HG22 THR 44 27.984 9.006 24.140 310 HG23 THR 44 HG23 THR 44 26.804 8.188 25.163 311 H GLY 45 HN GLY 45 27.492 8.487 28.532 312 HA2 GLY 45 HA2 GLY 45 24.551 8.712 28.540 313 HA3 GLY 45 HA1 GLY 45 25.474 7.353 29.176 314 H ASN 46 HN ASN 46 26.728 10.457 29.893 315 HA ASN 46 HA ASN 46 25.378 10.540 32.506 316 HB2 ASN 46 HB2 ASN 46 28.356 10.915 32.299 317 HB3 ASN 46 HB1 ASN 46 27.381 10.619 33.736 318 HD21 ASN 46 HD21 ASN 46 28.558 9.045 30.739 319 HD22 ASN 46 HD22 ASN 46 28.428 7.463 31.338 320 H GLY 47 HN GLY 47 24.258 12.370 31.715 321 HA2 GLY 47 HA2 GLY 47 25.056 14.848 32.411 322 HA3 GLY 47 HA1 GLY 47 25.747 14.690 30.800 323 H LEU 48 HN LEU 48 23.367 12.842 30.184 324 HA LEU 48 HA LEU 48 21.240 14.869 29.991 325 HB2 LEU 48 HB2 LEU 48 22.876 13.949 27.814 326 HB3 LEU 48 HB1 LEU 48 21.213 13.416 27.565 327 HG LEU 48 HG LEU 48 22.000 16.260 28.262 328 HD11 LEU 48 HD11 LEU 48 22.809 16.029 26.080 329 HD12 LEU 48 HD12 LEU 48 21.148 16.549 25.794 330 HD13 LEU 48 HD13 LEU 48 21.577 14.845 25.643 331 HD21 LEU 48 HD21 LEU 48 19.532 14.855 28.351 332 HD22 LEU 48 HD22 LEU 48 19.460 15.923 26.950 333 HD23 LEU 48 HD23 LEU 48 19.790 16.588 28.549 334 H VAL 49 HN VAL 49 22.260 11.650 30.449 335 HA VAL 49 HA VAL 49 19.811 10.315 29.804 336 HB VAL 49 HB VAL 49 22.233 9.552 31.432 337 HG11 VAL 49 HG11 VAL 49 19.588 8.166 31.106 338 HG12 VAL 49 HG12 VAL 49 20.612 8.285 32.536 339 HG13 VAL 49 HG13 VAL 49 21.062 7.205 31.217 340 HG21 VAL 49 HG21 VAL 49 22.568 7.983 29.565 341 HG22 VAL 49 HG22 VAL 49 22.430 9.633 28.957 342 HG23 VAL 49 HG23 VAL 49 21.062 8.528 28.824 343 H LEU 50 HN LEU 50 20.997 12.070 32.556 344 HA LEU 50 HA LEU 50 18.823 11.067 34.256 345 HB2 LEU 50 HB2 LEU 50 20.037 12.723 35.908 346 HB3 LEU 50 HB1 LEU 50 20.727 11.136 35.568 347 HG LEU 50 HG LEU 50 22.219 12.104 33.890 348 HD11 LEU 50 HD11 LEU 50 20.666 14.617 34.525 349 HD12 LEU 50 HD12 LEU 50 20.948 13.876 32.950 350 HD13 LEU 50 HD13 LEU 50 22.270 14.678 33.796 351 HD21 LEU 50 HD21 LEU 50 22.902 14.100 35.817 352 HD22 LEU 50 HD22 LEU 50 23.627 12.507 35.601 353 HD23 LEU 50 HD23 LEU 50 22.253 12.710 36.688 354 H TRP 51 HN TRP 51 19.065 13.281 31.920 355 HA TRP 51 HA TRP 51 17.736 15.492 33.289 356 HB2 TRP 51 HB2 TRP 51 19.098 16.445 31.714 357 HB3 TRP 51 HB1 TRP 51 18.987 15.061 30.626 358 HD1 TRP 51 HD1 TRP 51 16.799 14.876 29.084 359 HE1 TRP 51 HE1 TRP 51 15.167 16.682 28.233 360 HE3 TRP 51 HE3 TRP 51 17.959 18.688 32.278 361 HZ2 TRP 51 HZ2 TRP 51 14.450 19.386 28.830 362 HZ3 TRP 51 HZ3 TRP 51 16.788 20.865 32.115 363 HH2 TRP 51 HH2 TRP 51 15.036 21.219 30.397 364 H THR 52 HN THR 52 17.018 12.862 31.079 365 HA THR 52 HA THR 52 14.364 13.768 30.442 366 HB THR 52 HB THR 52 15.917 11.238 29.986 367 HG1 THR 52 HG1 THR 52 14.951 13.409 28.562 368 HG21 THR 52 HG21 THR 52 13.824 10.275 30.442 369 HG22 THR 52 HG22 THR 52 13.766 10.540 28.699 370 HG23 THR 52 HG23 THR 52 12.943 11.656 29.788 371 H VAL 53 HN VAL 53 15.827 11.761 32.900 372 HA VAL 53 HA VAL 53 13.472 10.465 33.811 373 HB VAL 53 HB VAL 53 16.048 11.130 35.257 374 HG11 VAL 53 HG11 VAL 53 15.233 9.151 36.702 375 HG12 VAL 53 HG12 VAL 53 13.642 9.468 36.011 376 HG13 VAL 53 HG13 VAL 53 14.454 10.712 36.961 377 HG21 VAL 53 HG21 VAL 53 16.489 8.695 34.816 378 HG22 VAL 53 HG22 VAL 53 16.403 9.668 33.348 379 HG23 VAL 53 HG23 VAL 53 15.036 8.658 33.818 380 H PHE 54 HN PHE 54 15.101 13.467 34.766 381 HA PHE 54 HA PHE 54 13.332 14.081 36.913 382 HB2 PHE 54 HB2 PHE 54 15.123 15.420 37.215 383 HB3 PHE 54 HB1 PHE 54 15.549 15.385 35.503 384 HD1 PHE 54 HD2 PHE 54 13.043 16.836 37.877 385 HD2 PHE 54 HD1 PHE 54 15.132 17.257 34.148 386 HE1 PHE 54 HE2 PHE 54 12.068 19.097 37.588 387 HE2 PHE 54 HE1 PHE 54 14.158 19.519 33.858 388 HZ PHE 54 HZ PHE 54 12.626 20.439 35.577 389 H ARG 55 HN ARG 55 13.287 14.686 33.463 390 HA ARG 55 HA ARG 55 11.312 16.706 33.415 391 HB2 ARG 55 HB2 ARG 55 12.705 15.044 31.505 392 HB3 ARG 55 HB1 ARG 55 10.997 15.169 31.085 393 HG2 ARG 55 HG2 ARG 55 12.743 17.553 31.757 394 HG3 ARG 55 HG1 ARG 55 12.425 17.004 30.112 395 HD2 ARG 55 HD2 ARG 55 10.427 18.033 30.097 396 HD3 ARG 55 HD1 ARG 55 9.945 17.205 31.574 397 HE ARG 55 HE ARG 55 10.574 19.096 32.795 398 HH11 ARG 55 HH21 ARG 55 11.621 19.271 29.502 399 HH12 ARG 55 HH22 ARG 55 12.080 20.939 29.591 400 HH21 ARG 55 HH11 ARG 55 11.173 21.284 32.920 401 HH22 ARG 55 HH12 ARG 55 11.826 22.079 31.526 402 H LYS 56 HN LYS 56 10.959 13.223 32.694 403 HA LYS 56 HA LYS 56 8.218 13.085 32.489 404 HB2 LYS 56 HB2 LYS 56 9.944 11.012 33.859 405 HB3 LYS 56 HB1 LYS 56 8.400 10.742 33.051 406 HG2 LYS 56 HG2 LYS 56 9.979 12.054 31.144 407 HG3 LYS 56 HG1 LYS 56 11.066 10.889 31.903 408 HD2 LYS 56 HD2 LYS 56 9.268 9.139 31.569 409 HD3 LYS 56 HD1 LYS 56 8.394 10.322 30.595 410 HE2 LYS 56 HE2 LYS 56 10.441 10.544 29.151 411 HE3 LYS 56 HE1 LYS 56 11.163 9.214 30.056 412 HZ1 LYS 56 HZ1 LYS 56 9.286 9.112 27.946 413 HZ2 LYS 56 HZ2 LYS 56 8.625 8.387 29.333 414 HZ3 LYS 56 HZ3 LYS 56 10.105 7.836 28.707 415 H LYS 57 HN LYS 57 10.132 12.667 35.471 416 HA LYS 57 HA LYS 57 7.820 12.528 37.157 417 HB2 LYS 57 HB2 LYS 57 10.764 12.913 37.713 418 HB3 LYS 57 HB1 LYS 57 9.549 12.856 38.992 419 HG2 LYS 57 HG2 LYS 57 9.111 10.616 38.670 420 HG3 LYS 57 HG1 LYS 57 9.499 10.680 36.950 421 HD2 LYS 57 HD2 LYS 57 11.890 10.853 37.470 422 HD3 LYS 57 HD1 LYS 57 11.529 10.852 39.197 423 HE2 LYS 57 HE2 LYS 57 12.176 8.602 38.542 424 HE3 LYS 57 HE1 LYS 57 10.453 8.606 38.916 425 HZ1 LYS 57 HZ1 LYS 57 11.713 7.907 36.509 426 HZ2 LYS 57 HZ2 LYS 57 10.746 9.275 36.225 427 HZ3 LYS 57 HZ3 LYS 57 10.060 7.868 36.883 428 H GLY 58 HN GLY 58 7.049 14.612 35.914 429 HA2 GLY 58 HA2 GLY 58 8.031 17.039 37.263 430 HA3 GLY 58 HA1 GLY 58 7.041 17.001 35.807 431 H HIS 59 HN HIS 59 7.040 16.735 39.294 432 HA HIS 59 HA HIS 59 4.108 16.575 39.353 433 HB2 HIS 59 HB2 HIS 59 6.295 15.929 41.234 434 HB3 HIS 59 HB1 HIS 59 4.849 16.631 41.963 435 HD2 HIS 59 HD2 HIS 59 6.028 13.243 40.583 436 HE1 HIS 59 HE1 HIS 59 1.834 12.973 40.976 437 HE2 HIS 59 HE2 HIS 59 3.960 11.650 40.551 438 H HIS 60 HN HIS 60 6.617 18.439 41.087 439 HA HIS 60 HA HIS 60 6.485 20.534 42.064 440 HB2 HIS 60 HB2 HIS 60 6.998 20.988 39.663 441 HB3 HIS 60 HB1 HIS 60 5.270 21.186 39.371 442 HD2 HIS 60 HD2 HIS 60 8.218 23.344 40.430 443 HE1 HIS 60 HE1 HIS 60 4.775 25.405 41.742 444 HE2 HIS 60 HE2 HIS 60 7.280 25.594 41.364 445 H HIS 61 HN HIS 61 4.773 19.701 43.540 446 HA HIS 61 HA HIS 61 2.046 20.536 42.930 447 HB2 HIS 61 HB2 HIS 61 1.613 19.605 45.255 448 HB3 HIS 61 HB1 HIS 61 2.204 18.445 44.064 449 HD2 HIS 61 HD2 HIS 61 4.552 17.170 44.814 450 HE1 HIS 61 HE1 HIS 61 5.595 19.723 48.010 451 HE2 HIS 61 HE2 HIS 61 6.218 17.590 46.780 452 H HIS 62 HN HIS 62 1.312 22.501 43.391 453 HA HIS 62 HA HIS 62 2.796 24.522 44.621 454 HB2 HIS 62 HB2 HIS 62 0.970 25.865 44.262 455 HB3 HIS 62 HB1 HIS 62 0.536 24.526 43.199 456 HD2 HIS 62 HD2 HIS 62 -0.954 22.431 44.987 457 HE1 HIS 62 HE1 HIS 62 -2.971 25.611 46.895 458 HE2 HIS 62 HE2 HIS 62 -2.978 23.105 46.493 459 H HIS 63 HN HIS 63 2.885 25.349 46.678 460 HA HIS 63 HA HIS 63 1.182 24.428 48.793 461 HB2 HIS 63 HB2 HIS 63 2.442 22.490 48.978 462 HB3 HIS 63 HB1 HIS 63 3.927 23.283 48.453 463 HD2 HIS 63 HD2 HIS 63 1.724 24.595 51.476 464 HE1 HIS 63 HE1 HIS 63 5.513 23.457 52.948 465 HE2 HIS 63 HE2 HIS 63 3.295 24.531 53.561 466 H HIS 64 HN HIS 64 0.843 26.558 49.317 467 HA HIS 64 HA HIS 64 2.554 28.681 49.374 468 HB2 HIS 64 HB2 HIS 64 0.118 28.721 49.979 469 HB3 HIS 64 HB1 HIS 64 0.557 28.100 51.570 470 HD2 HIS 64 HD2 HIS 64 0.284 30.403 53.115 471 HE1 HIS 64 HE1 HIS 64 2.689 32.941 50.748 472 HE2 HIS 64 HE2 HIS 64 1.391 32.761 52.923 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -1.479 8.680 1.450 2 H2 MET 1 HT2 MET 1 -1.861 8.472 3.093 3 H3 MET 1 HT3 MET 1 -1.067 9.882 2.574 4 HA MET 1 HA MET 1 -3.886 9.111 2.273 5 HB2 MET 1 HB2 MET 1 -2.609 11.812 2.749 6 HB3 MET 1 HB1 MET 1 -4.272 11.325 3.081 7 HG2 MET 1 HG2 MET 1 -3.305 9.608 4.703 8 HG3 MET 1 HG1 MET 1 -1.762 10.443 4.520 9 HE1 MET 1 HE1 MET 1 -4.945 10.292 6.669 10 HE2 MET 1 HE2 MET 1 -5.449 10.791 5.057 11 HE3 MET 1 HE3 MET 1 -5.643 11.897 6.414 12 H GLU 2 HN GLU 2 -5.166 10.454 0.779 13 HA GLU 2 HA GLU 2 -3.710 10.847 -1.750 14 HB2 GLU 2 HB2 GLU 2 -6.657 10.494 -1.156 15 HB3 GLU 2 HB1 GLU 2 -6.000 10.811 -2.762 16 HG2 GLU 2 HG2 GLU 2 -4.583 8.640 -1.434 17 HG3 GLU 2 HG1 GLU 2 -6.308 8.303 -1.570 18 H GLU 3 HN GLU 3 -3.367 12.835 0.191 19 HA GLU 3 HA GLU 3 -4.539 15.117 -1.218 20 HB2 GLU 3 HB2 GLU 3 -4.746 14.788 1.785 21 HB3 GLU 3 HB1 GLU 3 -5.262 16.195 0.855 22 HG2 GLU 3 HG2 GLU 3 -6.776 14.619 -0.454 23 HG3 GLU 3 HG1 GLU 3 -6.411 13.398 0.763 24 H GLY 4 HN GLY 4 -1.965 14.314 -1.477 25 HA2 GLY 4 HA2 GLY 4 -0.506 16.603 -0.589 26 HA3 GLY 4 HA1 GLY 4 -0.041 15.166 0.317 27 H GLY 5 HN GLY 5 0.374 13.187 -1.148 28 HA2 GLY 5 HA2 GLY 5 0.987 12.821 -3.643 29 HA3 GLY 5 HA1 GLY 5 2.180 14.070 -3.301 30 H ASP 6 HN ASP 6 3.254 11.828 -4.155 31 HA ASP 6 HA ASP 6 4.566 10.746 -1.773 32 HB2 ASP 6 HB2 ASP 6 3.133 9.077 -3.842 33 HB3 ASP 6 HB1 ASP 6 4.378 8.420 -2.780 34 H PHE 7 HN PHE 7 6.545 9.530 -2.332 35 HA PHE 7 HA PHE 7 7.608 9.926 -5.016 36 HB2 PHE 7 HB2 PHE 7 8.426 11.544 -2.664 37 HB3 PHE 7 HB1 PHE 7 9.721 10.933 -3.695 38 HD1 PHE 7 HD1 PHE 7 9.808 11.531 -6.100 39 HD2 PHE 7 HD2 PHE 7 6.867 13.210 -3.457 40 HE1 PHE 7 HE1 PHE 7 9.311 13.293 -7.772 41 HE2 PHE 7 HE2 PHE 7 6.371 14.973 -5.129 42 HZ PHE 7 HZ PHE 7 7.594 15.015 -7.287 43 H ASP 8 HN ASP 8 9.816 8.958 -5.211 44 HA ASP 8 HA ASP 8 10.594 7.069 -3.144 45 HB2 ASP 8 HB2 ASP 8 9.521 6.171 -5.823 46 HB3 ASP 8 HB1 ASP 8 10.503 5.144 -4.778 47 H ASN 9 HN ASN 9 12.078 9.154 -3.895 48 HA ASN 9 HA ASN 9 14.261 7.891 -5.411 49 HB2 ASN 9 HB2 ASN 9 12.782 9.600 -6.755 50 HB3 ASN 9 HB1 ASN 9 13.691 10.801 -5.838 51 HD21 ASN 9 HD21 ASN 9 14.093 8.067 -8.113 52 HD22 ASN 9 HD22 ASN 9 15.622 8.553 -8.667 53 H TYR 10 HN TYR 10 14.247 7.922 -2.713 54 HA TYR 10 HA TYR 10 15.185 10.135 -1.338 55 HB2 TYR 10 HB2 TYR 10 14.827 8.404 0.114 56 HB3 TYR 10 HB1 TYR 10 15.448 7.193 -1.008 57 HD1 TYR 10 HD1 TYR 10 16.493 9.988 1.235 58 HD2 TYR 10 HD2 TYR 10 17.686 6.439 -0.869 59 HE1 TYR 10 HE1 TYR 10 18.688 10.042 2.388 60 HE2 TYR 10 HE2 TYR 10 19.881 6.493 0.283 61 HH TYR 10 HH TYR 10 21.334 8.344 1.382 62 H TYR 11 HN TYR 11 16.768 11.447 -2.005 63 HA TYR 11 HA TYR 11 18.844 10.890 -3.743 64 HB2 TYR 11 HB2 TYR 11 18.184 13.009 -1.856 65 HB3 TYR 11 HB1 TYR 11 19.925 12.768 -2.002 66 HD1 TYR 11 HD1 TYR 11 16.809 13.297 -3.986 67 HD2 TYR 11 HD2 TYR 11 21.100 13.483 -3.931 68 HE1 TYR 11 HE1 TYR 11 16.787 14.453 -6.179 69 HE2 TYR 11 HE2 TYR 11 21.078 14.639 -6.124 70 HH TYR 11 HH TYR 11 19.819 15.285 -7.847 71 H GLY 12 HN GLY 12 21.269 11.321 -2.837 72 HA2 GLY 12 HA2 GLY 12 21.838 9.664 -0.502 73 HA3 GLY 12 HA1 GLY 12 22.412 9.045 -2.048 74 H ALA 13 HN ALA 13 22.933 11.317 0.484 75 HA ALA 13 HA ALA 13 24.677 13.138 -0.755 76 HB1 ALA 13 HB1 ALA 13 25.672 13.133 1.714 77 HB2 ALA 13 HB2 ALA 13 24.195 12.229 2.045 78 HB3 ALA 13 HB3 ALA 13 24.101 13.849 1.355 79 H ASP 14 HN ASP 14 25.813 11.622 -2.209 80 HA ASP 14 HA ASP 14 27.795 9.870 -0.993 81 HB2 ASP 14 HB2 ASP 14 28.384 9.312 -3.313 82 HB3 ASP 14 HB1 ASP 14 26.648 9.157 -3.044 83 H ASN 15 HN ASN 15 28.255 12.403 -0.116 84 HA ASN 15 HA ASN 15 30.866 12.959 -1.299 85 HB2 ASN 15 HB2 ASN 15 29.070 14.406 -2.439 86 HB3 ASN 15 HB1 ASN 15 28.949 15.246 -0.894 87 HD21 ASN 15 HD21 ASN 15 29.889 17.226 -1.772 88 HD22 ASN 15 HD22 ASN 15 31.537 17.318 -2.167 89 H GLN 16 HN GLN 16 30.587 11.765 1.065 90 HA GLN 16 HA GLN 16 30.319 13.561 3.279 91 HB2 GLN 16 HB2 GLN 16 31.531 11.584 4.468 92 HB3 GLN 16 HB1 GLN 16 29.900 11.335 3.846 93 HG2 GLN 16 HG2 GLN 16 32.168 10.806 1.985 94 HG3 GLN 16 HG1 GLN 16 31.898 9.643 3.282 95 HE21 GLN 16 HE21 GLN 16 29.181 11.452 1.946 96 HE22 GLN 16 HE22 GLN 16 28.477 10.141 1.131 97 H SER 17 HN SER 17 32.515 13.673 0.954 98 HA SER 17 HA SER 17 34.754 14.236 0.775 99 HB2 SER 17 HB2 SER 17 34.430 16.413 1.264 100 HB3 SER 17 HB1 SER 17 33.369 16.039 2.618 101 HG SER 17 HG SER 17 35.011 16.511 3.828 102 H GLU 18 HN GLU 18 35.879 12.368 1.276 103 HA GLU 18 HA GLU 18 37.073 12.328 3.969 104 HB2 GLU 18 HB2 GLU 18 35.330 10.304 2.804 105 HB3 GLU 18 HB1 GLU 18 36.902 9.646 3.261 106 HG2 GLU 18 HG2 GLU 18 36.670 10.542 5.516 107 HG3 GLU 18 HG1 GLU 18 35.155 11.331 5.078 108 H CYS 19 HN CYS 19 39.153 11.360 4.068 109 HA CYS 19 HA CYS 19 40.846 11.917 1.909 110 HB2 CYS 19 HB2 CYS 19 41.173 10.240 4.388 111 HB3 CYS 19 HB1 CYS 19 42.468 10.385 3.201 112 HG CYS 19 HG CYS 19 41.816 12.464 5.242 113 H GLU 20 HN GLU 20 41.354 8.721 3.053 114 HA GLU 20 HA GLU 20 40.918 7.690 0.333 115 HB2 GLU 20 HB2 GLU 20 43.124 7.434 1.723 116 HB3 GLU 20 HB1 GLU 20 42.245 6.131 2.524 117 HG2 GLU 20 HG2 GLU 20 41.673 5.436 0.028 118 HG3 GLU 20 HG1 GLU 20 43.144 6.340 -0.324 119 H TYR 21 HN TYR 21 39.190 7.967 3.084 120 HA TYR 21 HA TYR 21 37.574 6.710 4.165 121 HB2 TYR 21 HB2 TYR 21 35.862 5.907 2.542 122 HB3 TYR 21 HB1 TYR 21 36.396 7.561 2.241 123 HD1 TYR 21 HD1 TYR 21 36.533 4.075 1.052 124 HD2 TYR 21 HD2 TYR 21 37.790 8.116 0.321 125 HE1 TYR 21 HE1 TYR 21 37.230 3.443 -1.242 126 HE2 TYR 21 HE2 TYR 21 38.488 7.485 -1.973 127 HH TYR 21 HH TYR 21 37.620 4.489 -3.397 128 H THR 22 HN THR 22 40.127 5.253 3.542 129 HA THR 22 HA THR 22 39.121 2.502 3.262 130 HB THR 22 HB THR 22 41.853 3.745 3.007 131 HG1 THR 22 HG1 THR 22 40.838 1.884 1.239 132 HG21 THR 22 HG21 THR 22 41.088 0.886 3.536 133 HG22 THR 22 HG22 THR 22 42.421 1.821 4.214 134 HG23 THR 22 HG23 THR 22 42.499 1.255 2.544 135 H ASP 23 HN ASP 23 41.228 4.473 5.353 136 HA ASP 23 HA ASP 23 40.999 2.422 7.454 137 HB2 ASP 23 HB2 ASP 23 43.192 3.791 6.565 138 HB3 ASP 23 HB1 ASP 23 42.708 4.767 7.951 139 H TRP 24 HN TRP 24 38.831 4.287 6.709 140 HA TRP 24 HA TRP 24 38.527 6.456 8.398 141 HB2 TRP 24 HB2 TRP 24 36.001 5.693 8.329 142 HB3 TRP 24 HB1 TRP 24 36.805 6.268 6.871 143 HD1 TRP 24 HD1 TRP 24 37.632 2.813 8.228 144 HE1 TRP 24 HE1 TRP 24 36.757 1.037 6.580 145 HE3 TRP 24 HE3 TRP 24 34.953 5.791 5.060 146 HZ2 TRP 24 HZ2 TRP 24 35.136 0.895 4.228 147 HZ3 TRP 24 HZ3 TRP 24 33.755 4.810 3.125 148 HH2 TRP 24 HH2 TRP 24 33.842 2.368 2.705 149 H LYS 25 HN LYS 25 36.203 4.085 9.276 150 HA LYS 25 HA LYS 25 37.120 4.234 12.058 151 HB2 LYS 25 HB2 LYS 25 34.871 3.218 12.541 152 HB3 LYS 25 HB1 LYS 25 34.803 4.791 11.745 153 HG2 LYS 25 HG2 LYS 25 33.707 3.913 9.987 154 HG3 LYS 25 HG1 LYS 25 34.962 2.694 9.765 155 HD2 LYS 25 HD2 LYS 25 33.920 1.317 11.546 156 HD3 LYS 25 HD1 LYS 25 32.641 2.522 11.709 157 HE2 LYS 25 HE2 LYS 25 32.938 1.816 8.933 158 HE3 LYS 25 HE1 LYS 25 32.736 0.350 9.893 159 HZ1 LYS 25 HZ1 LYS 25 30.713 1.088 10.735 160 HZ2 LYS 25 HZ2 LYS 25 30.649 1.546 9.101 161 HZ3 LYS 25 HZ3 LYS 25 30.995 2.702 10.296 162 H SER 26 HN SER 26 38.887 2.774 11.883 163 HA SER 26 HA SER 26 38.089 -0.001 12.201 164 HB2 SER 26 HB2 SER 26 39.774 0.950 9.896 165 HB3 SER 26 HB1 SER 26 39.941 -0.683 10.536 166 HG SER 26 HG SER 26 37.357 -0.174 10.287 167 H SER 27 HN SER 27 41.234 1.352 11.299 168 HA SER 27 HA SER 27 43.261 1.302 12.388 169 HB2 SER 27 HB2 SER 27 41.630 2.929 13.780 170 HB3 SER 27 HB1 SER 27 41.969 1.732 15.026 171 HG SER 27 HG SER 27 43.585 3.639 13.923 172 H GLY 28 HN GLY 28 42.030 -1.227 12.055 173 HA2 GLY 28 HA2 GLY 28 42.534 -3.397 12.684 174 HA3 GLY 28 HA1 GLY 28 43.500 -2.746 14.006 175 H ALA 29 HN ALA 29 40.704 -1.178 14.361 176 HA ALA 29 HA ALA 29 38.887 -1.371 15.755 177 HB1 ALA 29 HB1 ALA 29 38.557 -3.407 14.143 178 HB2 ALA 29 HB2 ALA 29 37.611 -3.312 15.629 179 HB3 ALA 29 HB3 ALA 29 39.029 -4.360 15.551 180 H LEU 30 HN LEU 30 41.691 -1.555 16.734 181 HA LEU 30 HA LEU 30 41.194 -2.965 19.290 182 HB2 LEU 30 HB2 LEU 30 43.819 -2.371 17.904 183 HB3 LEU 30 HB1 LEU 30 43.656 -3.126 19.490 184 HG LEU 30 HG LEU 30 42.047 -4.377 17.351 185 HD11 LEU 30 HD11 LEU 30 44.058 -3.856 16.060 186 HD12 LEU 30 HD12 LEU 30 44.025 -5.580 16.426 187 HD13 LEU 30 HD13 LEU 30 45.079 -4.503 17.344 188 HD21 LEU 30 HD21 LEU 30 44.045 -5.553 19.303 189 HD22 LEU 30 HD22 LEU 30 42.720 -6.388 18.492 190 HD23 LEU 30 HD23 LEU 30 42.375 -5.188 19.738 191 H ILE 31 HN ILE 31 42.252 -0.014 17.729 192 HA ILE 31 HA ILE 31 43.029 1.272 20.184 193 HB ILE 31 HB ILE 31 43.142 1.854 17.340 194 HG12 ILE 31 HG12 ILE 31 45.029 1.549 18.988 195 HG13 ILE 31 HG11 ILE 31 45.155 2.990 17.983 196 HG21 ILE 31 HG21 ILE 31 41.472 3.569 17.749 197 HG22 ILE 31 HG22 ILE 31 43.044 4.342 17.589 198 HG23 ILE 31 HG23 ILE 31 42.333 4.131 19.184 199 HD11 ILE 31 HD11 ILE 31 43.672 3.476 20.469 200 HD12 ILE 31 HD12 ILE 31 45.019 4.370 19.769 201 HD13 ILE 31 HD13 ILE 31 45.327 2.937 20.748 202 HA PRO 32 HA PRO 32 38.722 3.454 19.338 203 HB2 PRO 32 HB2 PRO 32 37.200 1.098 18.378 204 HB3 PRO 32 HB1 PRO 32 37.166 2.775 17.802 205 HG2 PRO 32 HG2 PRO 32 38.313 0.814 16.393 206 HG3 PRO 32 HG1 PRO 32 38.943 2.470 16.395 207 HD2 PRO 32 HD2 PRO 32 39.994 0.051 17.814 208 HD3 PRO 32 HD1 PRO 32 40.882 1.403 17.077 209 H ALA 33 HN ALA 33 38.441 -0.060 19.948 210 HA ALA 33 HA ALA 33 36.550 -0.055 21.944 211 HB1 ALA 33 HB1 ALA 33 37.165 -2.194 21.349 212 HB2 ALA 33 HB2 ALA 33 38.052 -2.040 22.864 213 HB3 ALA 33 HB3 ALA 33 38.886 -1.810 21.328 214 H ILE 34 HN ILE 34 39.905 0.918 22.139 215 HA ILE 34 HA ILE 34 39.937 1.021 25.031 216 HB ILE 34 HB ILE 34 41.845 1.798 22.848 217 HG12 ILE 34 HG12 ILE 34 42.445 0.222 25.334 218 HG13 ILE 34 HG11 ILE 34 41.532 -0.539 24.030 219 HG21 ILE 34 HG21 ILE 34 41.831 2.714 25.718 220 HG22 ILE 34 HG22 ILE 34 42.175 3.649 24.263 221 HG23 ILE 34 HG23 ILE 34 43.353 2.481 24.860 222 HD11 ILE 34 HD11 ILE 34 44.180 0.869 23.606 223 HD12 ILE 34 HD12 ILE 34 43.310 -0.142 22.453 224 HD13 ILE 34 HD13 ILE 34 44.038 -0.867 23.886 225 H TYR 35 HN TYR 35 39.233 3.156 22.371 226 HA TYR 35 HA TYR 35 39.366 5.592 23.883 227 HB2 TYR 35 HB2 TYR 35 39.074 4.878 21.171 228 HB3 TYR 35 HB1 TYR 35 37.616 5.771 21.602 229 HD1 TYR 35 HD2 TYR 35 38.280 7.790 23.411 230 HD2 TYR 35 HD1 TYR 35 40.728 6.236 20.241 231 HE1 TYR 35 HE2 TYR 35 39.554 9.918 23.349 232 HE2 TYR 35 HE1 TYR 35 42.000 8.363 20.180 233 HH TYR 35 HH TYR 35 42.277 10.364 21.087 234 H MET 36 HN MET 36 36.610 3.818 22.461 235 HA MET 36 HA MET 36 34.541 5.209 23.629 236 HB2 MET 36 HB2 MET 36 33.377 2.871 23.650 237 HB3 MET 36 HB1 MET 36 33.866 3.568 22.108 238 HG2 MET 36 HG2 MET 36 35.476 2.005 21.763 239 HG3 MET 36 HG1 MET 36 35.945 1.961 23.462 240 HE1 MET 36 HE1 MET 36 34.213 -0.335 25.270 241 HE2 MET 36 HE2 MET 36 32.854 0.753 25.004 242 HE3 MET 36 HE3 MET 36 34.478 1.410 25.175 243 H LEU 37 HN LEU 37 36.792 3.017 25.101 244 HA LEU 37 HA LEU 37 35.377 2.324 27.430 245 HB2 LEU 37 HB2 LEU 37 37.936 1.863 26.399 246 HB3 LEU 37 HB1 LEU 37 38.220 2.739 27.901 247 HG LEU 37 HG LEU 37 38.159 0.355 28.380 248 HD11 LEU 37 HD11 LEU 37 35.469 1.032 29.385 249 HD12 LEU 37 HD12 LEU 37 36.698 2.258 29.699 250 HD13 LEU 37 HD13 LEU 37 36.931 0.609 30.274 251 HD21 LEU 37 HD21 LEU 37 36.792 -1.054 27.276 252 HD22 LEU 37 HD22 LEU 37 36.183 0.323 26.358 253 HD23 LEU 37 HD23 LEU 37 35.369 -0.179 27.839 254 H VAL 38 HN VAL 38 37.800 4.904 26.956 255 HA VAL 38 HA VAL 38 37.271 6.102 29.505 256 HB VAL 38 HB VAL 38 38.560 7.584 27.240 257 HG11 VAL 38 HG11 VAL 38 38.298 8.637 29.468 258 HG12 VAL 38 HG12 VAL 38 39.997 8.378 29.072 259 HG13 VAL 38 HG13 VAL 38 39.179 7.293 30.197 260 HG21 VAL 38 HG21 VAL 38 40.699 6.362 27.965 261 HG22 VAL 38 HG22 VAL 38 39.571 5.439 26.971 262 HG23 VAL 38 HG23 VAL 38 39.637 5.169 28.712 263 H PHE 39 HN PHE 39 35.459 5.996 26.747 264 HA PHE 39 HA PHE 39 34.500 8.739 26.791 265 HB2 PHE 39 HB2 PHE 39 34.681 7.294 24.700 266 HB3 PHE 39 HB1 PHE 39 33.282 6.408 25.308 267 HD1 PHE 39 HD1 PHE 39 34.470 9.847 24.452 268 HD2 PHE 39 HD2 PHE 39 31.098 7.242 24.997 269 HE1 PHE 39 HE1 PHE 39 32.965 11.609 23.569 270 HE2 PHE 39 HE2 PHE 39 29.594 9.005 24.115 271 HZ PHE 39 HZ PHE 39 30.528 11.188 23.401 272 H LEU 40 HN LEU 40 32.647 5.702 26.873 273 HA LEU 40 HA LEU 40 30.401 6.734 28.148 274 HB2 LEU 40 HB2 LEU 40 29.855 4.397 28.715 275 HB3 LEU 40 HB1 LEU 40 30.422 4.541 27.051 276 HG LEU 40 HG LEU 40 32.771 4.151 28.449 277 HD11 LEU 40 HD11 LEU 40 30.763 2.188 29.569 278 HD12 LEU 40 HD12 LEU 40 31.247 3.638 30.448 279 HD13 LEU 40 HD13 LEU 40 32.446 2.410 30.043 280 HD21 LEU 40 HD21 LEU 40 30.955 2.074 27.181 281 HD22 LEU 40 HD22 LEU 40 32.683 1.875 27.472 282 HD23 LEU 40 HD23 LEU 40 32.115 3.087 26.323 283 H LEU 41 HN LEU 41 33.483 6.419 29.406 284 HA LEU 41 HA LEU 41 32.940 5.655 32.087 285 HB2 LEU 41 HB2 LEU 41 35.209 6.518 30.548 286 HB3 LEU 41 HB1 LEU 41 35.156 7.410 32.068 287 HG LEU 41 HG LEU 41 34.907 4.397 31.856 288 HD11 LEU 41 HD11 LEU 41 37.252 6.222 32.103 289 HD12 LEU 41 HD12 LEU 41 37.140 4.632 31.349 290 HD13 LEU 41 HD13 LEU 41 37.254 4.771 33.103 291 HD21 LEU 41 HD21 LEU 41 35.797 5.439 34.392 292 HD22 LEU 41 HD22 LEU 41 34.356 4.486 34.040 293 HD23 LEU 41 HD23 LEU 41 34.301 6.245 33.922 294 H GLY 42 HN GLY 42 32.960 8.755 30.401 295 HA2 GLY 42 HA2 GLY 42 31.288 9.946 32.423 296 HA3 GLY 42 HA1 GLY 42 32.925 10.595 32.419 297 H THR 43 HN THR 43 30.679 9.600 29.829 298 HA THR 43 HA THR 43 31.259 12.137 28.453 299 HB THR 43 HB THR 43 31.628 10.012 27.210 300 HG1 THR 43 HG1 THR 43 29.521 11.691 26.329 301 HG21 THR 43 HG21 THR 43 28.633 9.698 27.165 302 HG22 THR 43 HG22 THR 43 29.602 8.925 28.419 303 HG23 THR 43 HG23 THR 43 29.873 8.523 26.724 304 H THR 44 HN THR 44 28.544 10.038 29.390 305 HA THR 44 HA THR 44 26.683 12.263 28.883 306 HB THR 44 HB THR 44 24.997 10.327 29.439 307 HG1 THR 44 HG1 THR 44 27.276 8.886 28.577 308 HG21 THR 44 HG21 THR 44 24.852 11.071 27.262 309 HG22 THR 44 HG22 THR 44 25.533 9.471 26.968 310 HG23 THR 44 HG23 THR 44 26.582 10.890 26.974 311 H GLY 45 HN GLY 45 27.259 9.756 31.364 312 HA2 GLY 45 HA2 GLY 45 27.492 11.320 33.593 313 HA3 GLY 45 HA1 GLY 45 25.752 11.189 33.358 314 H ASN 46 HN ASN 46 25.508 8.607 32.421 315 HA ASN 46 HA ASN 46 25.332 6.430 33.133 316 HB2 ASN 46 HB2 ASN 46 28.046 7.131 33.430 317 HB3 ASN 46 HB1 ASN 46 27.596 6.281 34.907 318 HD21 ASN 46 HD21 ASN 46 26.609 5.863 31.454 319 HD22 ASN 46 HD22 ASN 46 26.984 4.208 31.403 320 H GLY 47 HN GLY 47 23.692 6.080 34.484 321 HA2 GLY 47 HA2 GLY 47 23.506 5.440 36.978 322 HA3 GLY 47 HA1 GLY 47 23.834 7.152 37.228 323 H LEU 48 HN LEU 48 22.301 8.707 36.392 324 HA LEU 48 HA LEU 48 19.654 7.650 35.687 325 HB2 LEU 48 HB2 LEU 48 20.351 8.721 38.268 326 HB3 LEU 48 HB1 LEU 48 19.176 9.776 37.479 327 HG LEU 48 HG LEU 48 18.864 6.770 37.714 328 HD11 LEU 48 HD11 LEU 48 18.424 7.266 39.893 329 HD12 LEU 48 HD12 LEU 48 16.898 7.881 39.258 330 HD13 LEU 48 HD13 LEU 48 18.237 8.988 39.563 331 HD21 LEU 48 HD21 LEU 48 16.446 8.307 37.360 332 HD22 LEU 48 HD22 LEU 48 17.110 7.044 36.323 333 HD23 LEU 48 HD23 LEU 48 17.600 8.722 36.092 334 H VAL 49 HN VAL 49 22.121 9.651 34.976 335 HA VAL 49 HA VAL 49 20.719 12.063 34.286 336 HB VAL 49 HB VAL 49 23.408 11.042 33.335 337 HG11 VAL 49 HG11 VAL 49 23.291 13.862 33.460 338 HG12 VAL 49 HG12 VAL 49 21.807 13.351 32.655 339 HG13 VAL 49 HG13 VAL 49 23.376 12.862 32.010 340 HG21 VAL 49 HG21 VAL 49 23.744 11.255 35.619 341 HG22 VAL 49 HG22 VAL 49 22.470 12.462 35.798 342 HG23 VAL 49 HG23 VAL 49 24.030 12.922 35.118 343 H LEU 50 HN LEU 50 22.157 9.433 32.342 344 HA LEU 50 HA LEU 50 21.462 10.149 29.817 345 HB2 LEU 50 HB2 LEU 50 20.813 7.339 30.584 346 HB3 LEU 50 HB1 LEU 50 21.738 7.945 29.212 347 HG LEU 50 HG LEU 50 23.399 8.756 31.121 348 HD11 LEU 50 HD11 LEU 50 23.308 7.617 33.129 349 HD12 LEU 50 HD12 LEU 50 22.511 6.215 32.417 350 HD13 LEU 50 HD13 LEU 50 21.584 7.674 32.765 351 HD21 LEU 50 HD21 LEU 50 24.313 7.306 29.550 352 HD22 LEU 50 HD22 LEU 50 23.065 6.084 29.801 353 HD23 LEU 50 HD23 LEU 50 24.353 6.287 30.989 354 H TRP 51 HN TRP 51 19.312 8.587 32.179 355 HA TRP 51 HA TRP 51 17.051 8.154 30.709 356 HB2 TRP 51 HB2 TRP 51 16.319 7.650 32.763 357 HB3 TRP 51 HB1 TRP 51 17.667 8.529 33.483 358 HD1 TRP 51 HD1 TRP 51 17.295 11.234 33.798 359 HE1 TRP 51 HE1 TRP 51 15.138 12.528 34.365 360 HE3 TRP 51 HE3 TRP 51 13.805 7.723 32.544 361 HZ2 TRP 51 HZ2 TRP 51 12.307 12.127 34.295 362 HZ3 TRP 51 HZ3 TRP 51 11.388 8.204 32.804 363 HH2 TRP 51 HH2 TRP 51 10.635 10.399 33.677 364 H THR 52 HN THR 52 18.262 11.246 31.895 365 HA THR 52 HA THR 52 15.939 12.718 31.005 366 HB THR 52 HB THR 52 18.647 13.554 32.053 367 HG1 THR 52 HG1 THR 52 16.142 14.126 33.169 368 HG21 THR 52 HG21 THR 52 17.269 15.826 32.194 369 HG22 THR 52 HG22 THR 52 16.445 15.137 30.794 370 HG23 THR 52 HG23 THR 52 18.188 15.405 30.748 371 H VAL 53 HN VAL 53 19.356 12.541 29.986 372 HA VAL 53 HA VAL 53 19.243 14.208 27.776 373 HB VAL 53 HB VAL 53 20.822 11.632 27.890 374 HG11 VAL 53 HG11 VAL 53 22.446 12.986 26.580 375 HG12 VAL 53 HG12 VAL 53 21.299 14.326 26.577 376 HG13 VAL 53 HG13 VAL 53 20.899 12.821 25.748 377 HG21 VAL 53 HG21 VAL 53 22.581 13.176 28.935 378 HG22 VAL 53 HG22 VAL 53 21.240 12.711 29.981 379 HG23 VAL 53 HG23 VAL 53 21.263 14.308 29.233 380 H PHE 54 HN PHE 54 17.932 11.022 28.196 381 HA PHE 54 HA PHE 54 17.495 10.639 25.335 382 HB2 PHE 54 HB2 PHE 54 17.760 8.520 26.061 383 HB3 PHE 54 HB1 PHE 54 17.435 8.964 27.736 384 HD1 PHE 54 HD1 PHE 54 15.785 8.295 24.456 385 HD2 PHE 54 HD2 PHE 54 15.320 8.554 28.718 386 HE1 PHE 54 HE1 PHE 54 13.500 7.353 24.264 387 HE2 PHE 54 HE2 PHE 54 13.035 7.612 28.527 388 HZ PHE 54 HZ PHE 54 12.124 7.012 26.299 389 H ARG 55 HN ARG 55 15.881 11.960 28.052 390 HA ARG 55 HA ARG 55 13.195 11.556 27.067 391 HB2 ARG 55 HB2 ARG 55 14.381 13.189 29.310 392 HB3 ARG 55 HB1 ARG 55 12.668 13.269 28.895 393 HG2 ARG 55 HG2 ARG 55 13.724 10.527 29.119 394 HG3 ARG 55 HG1 ARG 55 13.762 11.442 30.628 395 HD2 ARG 55 HD2 ARG 55 11.604 10.129 30.094 396 HD3 ARG 55 HD1 ARG 55 11.429 11.805 30.605 397 HE ARG 55 HE ARG 55 11.587 11.903 27.850 398 HH11 ARG 55 HH21 ARG 55 9.623 10.335 30.228 399 HH12 ARG 55 HH22 ARG 55 8.201 10.313 29.239 400 HH21 ARG 55 HH11 ARG 55 9.726 11.878 26.547 401 HH22 ARG 55 HH12 ARG 55 8.260 11.187 27.156 402 H LYS 56 HN LYS 56 15.499 14.258 27.219 403 HA LYS 56 HA LYS 56 13.807 16.204 26.063 404 HB2 LYS 56 HB2 LYS 56 16.794 16.187 25.696 405 HB3 LYS 56 HB1 LYS 56 15.714 17.564 25.922 406 HG2 LYS 56 HG2 LYS 56 15.217 16.240 28.220 407 HG3 LYS 56 HG1 LYS 56 16.880 15.722 27.944 408 HD2 LYS 56 HD2 LYS 56 15.901 18.591 28.035 409 HD3 LYS 56 HD1 LYS 56 16.856 17.781 29.278 410 HE2 LYS 56 HE2 LYS 56 18.410 17.305 27.106 411 HE3 LYS 56 HE1 LYS 56 17.700 18.852 26.644 412 HZ1 LYS 56 HZ1 LYS 56 18.685 19.930 28.369 413 HZ2 LYS 56 HZ2 LYS 56 19.850 18.718 28.120 414 HZ3 LYS 56 HZ3 LYS 56 18.713 18.563 29.373 415 H LYS 57 HN LYS 57 16.245 14.044 24.630 416 HA LYS 57 HA LYS 57 15.711 14.962 21.948 417 HB2 LYS 57 HB2 LYS 57 17.356 12.718 23.110 418 HB3 LYS 57 HB1 LYS 57 17.144 12.913 21.370 419 HG2 LYS 57 HG2 LYS 57 18.321 14.915 21.311 420 HG3 LYS 57 HG1 LYS 57 17.973 15.289 22.999 421 HD2 LYS 57 HD2 LYS 57 19.541 13.632 23.770 422 HD3 LYS 57 HD1 LYS 57 19.758 13.000 22.138 423 HE2 LYS 57 HE2 LYS 57 20.281 15.892 22.409 424 HE3 LYS 57 HE1 LYS 57 21.401 14.858 23.296 425 HZ1 LYS 57 HZ1 LYS 57 21.243 15.325 20.514 426 HZ2 LYS 57 HZ2 LYS 57 21.021 13.671 20.827 427 HZ3 LYS 57 HZ3 LYS 57 22.416 14.463 21.384 428 H GLY 58 HN GLY 58 13.279 14.402 22.759 429 HA2 GLY 58 HA2 GLY 58 12.367 11.743 22.576 430 HA3 GLY 58 HA1 GLY 58 11.384 13.178 22.308 431 H HIS 59 HN HIS 59 10.373 13.021 20.412 432 HA HIS 59 HA HIS 59 11.661 11.626 18.180 433 HB2 HIS 59 HB2 HIS 59 8.957 12.816 17.877 434 HB3 HIS 59 HB1 HIS 59 9.564 11.244 17.358 435 HD2 HIS 59 HD2 HIS 59 6.842 11.885 19.476 436 HE1 HIS 59 HE1 HIS 59 9.172 9.486 22.051 437 HE2 HIS 59 HE2 HIS 59 6.852 10.437 21.649 438 H HIS 60 HN HIS 60 9.702 14.601 18.443 439 HA HIS 60 HA HIS 60 10.772 15.749 16.082 440 HB2 HIS 60 HB2 HIS 60 8.573 16.373 17.056 441 HB3 HIS 60 HB1 HIS 60 9.415 17.145 18.399 442 HD2 HIS 60 HD2 HIS 60 7.874 19.361 16.788 443 HE1 HIS 60 HE1 HIS 60 11.366 19.986 14.499 444 HE2 HIS 60 HE2 HIS 60 9.122 20.974 15.157 445 H HIS 61 HN HIS 61 13.079 15.202 16.809 446 HA HIS 61 HA HIS 61 14.318 16.865 18.781 447 HB2 HIS 61 HB2 HIS 61 16.382 15.906 18.046 448 HB3 HIS 61 HB1 HIS 61 15.174 14.622 17.976 449 HD2 HIS 61 HD2 HIS 61 14.009 14.454 15.174 450 HE1 HIS 61 HE1 HIS 61 17.682 15.670 13.485 451 HE2 HIS 61 HE2 HIS 61 15.428 14.611 12.987 452 H HIS 62 HN HIS 62 14.279 16.895 15.218 453 HA HIS 62 HA HIS 62 14.409 19.759 15.149 454 HB2 HIS 62 HB2 HIS 62 16.700 19.718 15.412 455 HB3 HIS 62 HB1 HIS 62 16.860 18.120 14.683 456 HD2 HIS 62 HD2 HIS 62 17.111 18.119 11.859 457 HE1 HIS 62 HE1 HIS 62 17.077 22.315 11.394 458 HE2 HIS 62 HE2 HIS 62 17.467 20.106 10.203 459 H HIS 63 HN HIS 63 13.277 20.373 13.423 460 HA HIS 63 HA HIS 63 13.562 19.098 10.864 461 HB2 HIS 63 HB2 HIS 63 11.189 18.547 12.595 462 HB3 HIS 63 HB1 HIS 63 10.951 18.713 10.856 463 HD2 HIS 63 HD2 HIS 63 13.468 17.082 9.662 464 HE1 HIS 63 HE1 HIS 63 12.377 13.956 12.281 465 HE2 HIS 63 HE2 HIS 63 13.731 14.544 10.215 466 H HIS 64 HN HIS 64 12.908 20.422 9.217 467 HA HIS 64 HA HIS 64 12.267 22.363 8.173 468 HB2 HIS 64 HB2 HIS 64 10.131 21.620 9.883 469 HB3 HIS 64 HB1 HIS 64 10.322 23.368 10.023 470 HD2 HIS 64 HD2 HIS 64 10.567 21.077 6.758 471 HE1 HIS 64 HE1 HIS 64 7.917 24.283 6.032 472 HE2 HIS 64 HE2 HIS 64 9.028 22.244 5.001 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -5.643 -32.996 22.369 2 H2 MET 1 HT2 MET 1 -5.893 -31.551 21.512 3 H3 MET 1 HT3 MET 1 -4.315 -32.118 21.783 4 HA MET 1 HA MET 1 -5.468 -34.217 20.531 5 HB2 MET 1 HB2 MET 1 -6.430 -31.636 19.258 6 HB3 MET 1 HB1 MET 1 -6.604 -33.251 18.570 7 HG2 MET 1 HG2 MET 1 -8.680 -32.924 19.610 8 HG3 MET 1 HG1 MET 1 -7.778 -33.819 20.834 9 HE1 MET 1 HE1 MET 1 -10.397 -31.192 21.076 10 HE2 MET 1 HE2 MET 1 -10.042 -31.456 22.782 11 HE3 MET 1 HE3 MET 1 -10.050 -32.822 21.669 12 H GLU 2 HN GLU 2 -4.066 -34.855 18.928 13 HA GLU 2 HA GLU 2 -2.212 -32.893 17.786 14 HB2 GLU 2 HB2 GLU 2 -0.373 -34.711 18.327 15 HB3 GLU 2 HB1 GLU 2 -0.797 -33.482 19.517 16 HG2 GLU 2 HG2 GLU 2 -2.160 -34.983 20.747 17 HG3 GLU 2 HG1 GLU 2 -2.209 -36.148 19.425 18 H GLU 3 HN GLU 3 -2.870 -33.235 15.715 19 HA GLU 3 HA GLU 3 -2.324 -35.903 14.598 20 HB2 GLU 3 HB2 GLU 3 -4.870 -34.314 14.298 21 HB3 GLU 3 HB1 GLU 3 -4.389 -35.539 13.124 22 HG2 GLU 3 HG2 GLU 3 -4.397 -37.264 14.796 23 HG3 GLU 3 HG1 GLU 3 -4.585 -36.086 16.094 24 H GLY 4 HN GLY 4 -0.523 -33.904 14.418 25 HA2 GLY 4 HA2 GLY 4 0.087 -33.664 11.752 26 HA3 GLY 4 HA1 GLY 4 -0.885 -32.240 12.108 27 H GLY 5 HN GLY 5 -0.173 -31.016 14.128 28 HA2 GLY 5 HA2 GLY 5 1.438 -29.859 15.304 29 HA3 GLY 5 HA1 GLY 5 2.510 -31.235 15.057 30 H ASP 6 HN ASP 6 3.744 -31.351 13.095 31 HA ASP 6 HA ASP 6 5.300 -30.334 11.714 32 HB2 ASP 6 HB2 ASP 6 2.806 -30.359 10.577 33 HB3 ASP 6 HB1 ASP 6 3.255 -28.661 10.426 34 H PHE 7 HN PHE 7 5.297 -27.847 10.453 35 HA PHE 7 HA PHE 7 5.857 -26.096 12.751 36 HB2 PHE 7 HB2 PHE 7 7.247 -26.664 10.347 37 HB3 PHE 7 HB1 PHE 7 6.717 -24.985 10.252 38 HD1 PHE 7 HD2 PHE 7 7.122 -23.500 12.345 39 HD2 PHE 7 HD1 PHE 7 9.123 -27.235 11.640 40 HE1 PHE 7 HE2 PHE 7 8.907 -22.846 13.939 41 HE2 PHE 7 HE1 PHE 7 10.907 -26.581 13.234 42 HZ PHE 7 HZ PHE 7 10.799 -24.386 14.384 43 H ASP 8 HN ASP 8 5.269 -23.842 12.637 44 HA ASP 8 HA ASP 8 3.265 -23.041 10.686 45 HB2 ASP 8 HB2 ASP 8 2.626 -23.351 13.625 46 HB3 ASP 8 HB1 ASP 8 1.641 -22.416 12.501 47 H ASN 9 HN ASN 9 5.592 -21.880 10.702 48 HA ASN 9 HA ASN 9 5.098 -19.278 11.979 49 HB2 ASN 9 HB2 ASN 9 6.778 -20.803 13.265 50 HB3 ASN 9 HB1 ASN 9 7.879 -20.407 11.946 51 HD21 ASN 9 HD21 ASN 9 6.201 -17.702 11.858 52 HD22 ASN 9 HD22 ASN 9 6.966 -16.777 13.059 53 H TYR 10 HN TYR 10 4.563 -19.870 9.343 54 HA TYR 10 HA TYR 10 6.594 -19.520 7.476 55 HB2 TYR 10 HB2 TYR 10 3.667 -19.073 7.530 56 HB3 TYR 10 HB1 TYR 10 4.556 -18.210 6.274 57 HD1 TYR 10 HD1 TYR 10 5.911 -19.451 4.609 58 HD2 TYR 10 HD2 TYR 10 3.477 -21.480 7.509 59 HE1 TYR 10 HE1 TYR 10 6.086 -21.546 3.293 60 HE2 TYR 10 HE2 TYR 10 3.652 -23.574 6.192 61 HH TYR 10 HH TYR 10 5.356 -23.642 3.069 62 H TYR 11 HN TYR 11 8.142 -18.015 7.950 63 HA TYR 11 HA TYR 11 7.745 -15.460 9.014 64 HB2 TYR 11 HB2 TYR 11 9.964 -14.953 7.806 65 HB3 TYR 11 HB1 TYR 11 9.965 -16.250 9.001 66 HD1 TYR 11 HD1 TYR 11 9.571 -15.602 5.340 67 HD2 TYR 11 HD2 TYR 11 10.602 -18.436 8.398 68 HE1 TYR 11 HE1 TYR 11 10.315 -17.208 3.602 69 HE2 TYR 11 HE2 TYR 11 11.345 -20.042 6.660 70 HH TYR 11 HH TYR 11 10.724 -19.512 3.285 71 H GLY 12 HN GLY 12 8.136 -13.375 7.855 72 HA2 GLY 12 HA2 GLY 12 7.493 -13.221 5.048 73 HA3 GLY 12 HA1 GLY 12 6.171 -12.702 6.089 74 H ALA 13 HN ALA 13 9.686 -12.298 6.459 75 HA ALA 13 HA ALA 13 9.399 -9.402 6.080 76 HB1 ALA 13 HB1 ALA 13 10.390 -10.744 8.594 77 HB2 ALA 13 HB2 ALA 13 9.120 -9.530 8.435 78 HB3 ALA 13 HB3 ALA 13 10.807 -9.080 8.184 79 H ASP 14 HN ASP 14 10.529 -10.599 4.133 80 HA ASP 14 HA ASP 14 13.407 -10.917 4.630 81 HB2 ASP 14 HB2 ASP 14 12.016 -11.339 1.993 82 HB3 ASP 14 HB1 ASP 14 13.530 -12.040 2.564 83 H ASN 15 HN ASN 15 12.667 -8.335 4.981 84 HA ASN 15 HA ASN 15 13.875 -7.031 2.635 85 HB2 ASN 15 HB2 ASN 15 12.114 -5.694 2.215 86 HB3 ASN 15 HB1 ASN 15 11.172 -6.831 3.176 87 HD21 ASN 15 HD21 ASN 15 10.844 -6.287 5.500 88 HD22 ASN 15 HD22 ASN 15 10.978 -4.674 6.014 89 H GLN 16 HN GLN 16 14.172 -7.727 5.766 90 HA GLN 16 HA GLN 16 14.654 -5.304 7.096 91 HB2 GLN 16 HB2 GLN 16 15.968 -6.620 8.666 92 HB3 GLN 16 HB1 GLN 16 14.526 -7.526 8.206 93 HG2 GLN 16 HG2 GLN 16 16.320 -8.304 6.275 94 HG3 GLN 16 HG1 GLN 16 17.361 -8.125 7.687 95 HE21 GLN 16 HE21 GLN 16 14.054 -9.446 7.031 96 HE22 GLN 16 HE22 GLN 16 14.286 -10.852 7.954 97 H SER 17 HN SER 17 16.506 -7.014 4.711 98 HA SER 17 HA SER 17 18.642 -6.697 3.874 99 HB2 SER 17 HB2 SER 17 18.064 -4.954 2.564 100 HB3 SER 17 HB1 SER 17 17.130 -4.191 3.848 101 HG SER 17 HG SER 17 19.964 -4.231 3.798 102 H GLU 18 HN GLU 18 20.022 -7.447 5.468 103 HA GLU 18 HA GLU 18 20.760 -5.811 7.727 104 HB2 GLU 18 HB2 GLU 18 20.755 -8.426 7.477 105 HB3 GLU 18 HB1 GLU 18 22.370 -8.169 6.817 106 HG2 GLU 18 HG2 GLU 18 22.791 -6.714 8.905 107 HG3 GLU 18 HG1 GLU 18 21.340 -7.466 9.564 108 H CYS 19 HN CYS 19 21.690 -3.917 7.031 109 HA CYS 19 HA CYS 19 24.349 -4.194 5.799 110 HB2 CYS 19 HB2 CYS 19 22.051 -2.547 4.801 111 HB3 CYS 19 HB1 CYS 19 23.701 -1.963 4.579 112 HG CYS 19 HG CYS 19 22.468 -3.998 2.844 113 H GLU 20 HN GLU 20 25.661 -2.199 6.069 114 HA GLU 20 HA GLU 20 26.554 -0.517 7.355 115 HB2 GLU 20 HB2 GLU 20 23.904 -0.094 8.700 116 HB3 GLU 20 HB1 GLU 20 25.135 1.091 8.266 117 HG2 GLU 20 HG2 GLU 20 24.552 0.158 5.806 118 HG3 GLU 20 HG1 GLU 20 22.997 -0.119 6.589 119 H TYR 21 HN TYR 21 24.029 -1.947 9.443 120 HA TYR 21 HA TYR 21 25.650 -1.958 11.763 121 HB2 TYR 21 HB2 TYR 21 23.544 -3.988 11.681 122 HB3 TYR 21 HB1 TYR 21 23.752 -2.626 12.781 123 HD1 TYR 21 HD2 TYR 21 23.220 -0.263 11.847 124 HD2 TYR 21 HD1 TYR 21 21.911 -3.912 9.997 125 HE1 TYR 21 HE2 TYR 21 21.464 0.988 10.621 126 HE2 TYR 21 HE1 TYR 21 20.156 -2.662 8.771 127 HH TYR 21 HH TYR 21 19.022 -0.677 8.702 128 H THR 22 HN THR 22 26.021 -3.706 9.009 129 HA THR 22 HA THR 22 26.752 -6.241 10.251 130 HB THR 22 HB THR 22 27.614 -6.168 7.561 131 HG1 THR 22 HG1 THR 22 25.229 -4.774 8.087 132 HG21 THR 22 HG21 THR 22 26.636 -8.080 8.795 133 HG22 THR 22 HG22 THR 22 25.801 -7.794 7.269 134 HG23 THR 22 HG23 THR 22 25.070 -7.270 8.786 135 H ASP 23 HN ASP 23 28.291 -3.420 8.802 136 HA ASP 23 HA ASP 23 30.950 -4.576 9.106 137 HB2 ASP 23 HB2 ASP 23 31.712 -2.850 7.786 138 HB3 ASP 23 HB1 ASP 23 30.041 -2.936 7.233 139 H TRP 24 HN TRP 24 29.135 -3.940 11.428 140 HA TRP 24 HA TRP 24 29.875 -1.710 12.870 141 HB2 TRP 24 HB2 TRP 24 29.629 -3.390 14.901 142 HB3 TRP 24 HB1 TRP 24 28.233 -2.930 13.932 143 HD1 TRP 24 HD1 TRP 24 30.822 -5.338 12.516 144 HE1 TRP 24 HE1 TRP 24 29.743 -7.662 12.252 145 HE3 TRP 24 HE3 TRP 24 26.371 -4.518 14.884 146 HZ2 TRP 24 HZ2 TRP 24 27.312 -8.999 12.950 147 HZ3 TRP 24 HZ3 TRP 24 24.694 -6.333 15.068 148 HH2 TRP 24 HH2 TRP 24 25.159 -8.570 14.106 149 H LYS 25 HN LYS 25 31.102 -4.499 14.476 150 HA LYS 25 HA LYS 25 33.787 -3.290 14.467 151 HB2 LYS 25 HB2 LYS 25 34.174 -4.745 16.454 152 HB3 LYS 25 HB1 LYS 25 32.839 -3.614 16.676 153 HG2 LYS 25 HG2 LYS 25 31.815 -6.005 15.469 154 HG3 LYS 25 HG1 LYS 25 32.769 -6.452 16.884 155 HD2 LYS 25 HD2 LYS 25 31.504 -4.857 18.263 156 HD3 LYS 25 HD1 LYS 25 30.565 -4.368 16.851 157 HE2 LYS 25 HE2 LYS 25 29.443 -6.424 16.725 158 HE3 LYS 25 HE1 LYS 25 30.679 -7.264 17.662 159 HZ1 LYS 25 HZ1 LYS 25 28.334 -6.211 18.618 160 HZ2 LYS 25 HZ2 LYS 25 29.528 -5.120 19.136 161 HZ3 LYS 25 HZ3 LYS 25 29.642 -6.766 19.542 162 H SER 26 HN SER 26 34.041 -4.207 12.244 163 HA SER 26 HA SER 26 34.173 -7.026 11.846 164 HB2 SER 26 HB2 SER 26 33.955 -5.907 9.837 165 HB3 SER 26 HB1 SER 26 35.034 -4.603 10.325 166 HG SER 26 HG SER 26 35.665 -6.580 8.819 167 H SER 27 HN SER 27 36.755 -4.571 12.122 168 HA SER 27 HA SER 27 38.808 -6.564 12.405 169 HB2 SER 27 HB2 SER 27 39.717 -4.047 13.356 170 HB3 SER 27 HB1 SER 27 40.067 -4.814 11.809 171 HG SER 27 HG SER 27 38.398 -2.746 12.406 172 H GLY 28 HN GLY 28 36.450 -6.163 14.402 173 HA2 GLY 28 HA2 GLY 28 36.127 -6.520 16.652 174 HA3 GLY 28 HA1 GLY 28 37.790 -7.096 16.702 175 H ALA 29 HN ALA 29 37.817 -4.043 15.411 176 HA ALA 29 HA ALA 29 38.589 -2.027 16.199 177 HB1 ALA 29 HB1 ALA 29 36.261 -2.004 17.099 178 HB2 ALA 29 HB2 ALA 29 37.398 -1.095 18.093 179 HB3 ALA 29 HB3 ALA 29 36.874 -2.701 18.599 180 H LEU 30 HN LEU 30 40.744 -2.250 16.546 181 HA LEU 30 HA LEU 30 41.820 -3.718 18.772 182 HB2 LEU 30 HB2 LEU 30 43.007 -1.928 16.659 183 HB3 LEU 30 HB1 LEU 30 43.980 -2.549 17.994 184 HG LEU 30 HG LEU 30 42.289 -4.532 16.566 185 HD11 LEU 30 HD11 LEU 30 43.080 -3.391 14.625 186 HD12 LEU 30 HD12 LEU 30 44.169 -4.761 14.844 187 HD13 LEU 30 HD13 LEU 30 44.676 -3.145 15.333 188 HD21 LEU 30 HD21 LEU 30 43.903 -4.971 18.490 189 HD22 LEU 30 HD22 LEU 30 45.210 -4.604 17.363 190 HD23 LEU 30 HD23 LEU 30 44.142 -5.975 17.059 191 H ILE 31 HN ILE 31 42.758 -0.406 17.985 192 HA ILE 31 HA ILE 31 42.891 0.246 20.796 193 HB ILE 31 HB ILE 31 43.692 1.599 18.253 194 HG12 ILE 31 HG12 ILE 31 45.049 0.003 19.877 195 HG13 ILE 31 HG11 ILE 31 45.827 1.398 19.134 196 HG21 ILE 31 HG21 ILE 31 42.661 3.464 19.275 197 HG22 ILE 31 HG22 ILE 31 44.345 3.578 19.780 198 HG23 ILE 31 HG23 ILE 31 43.133 2.949 20.895 199 HD11 ILE 31 HD11 ILE 31 44.471 1.626 21.821 200 HD12 ILE 31 HD12 ILE 31 45.701 2.675 21.116 201 HD13 ILE 31 HD13 ILE 31 46.137 1.063 21.684 202 HA PRO 32 HA PRO 32 39.317 3.239 19.211 203 HB2 PRO 32 HB2 PRO 32 37.780 1.191 17.706 204 HB3 PRO 32 HB1 PRO 32 38.056 2.901 17.325 205 HG2 PRO 32 HG2 PRO 32 39.275 0.949 15.979 206 HG3 PRO 32 HG1 PRO 32 40.076 2.491 16.325 207 HD2 PRO 32 HD2 PRO 32 40.475 -0.175 17.626 208 HD3 PRO 32 HD1 PRO 32 41.663 1.100 17.277 209 H ALA 33 HN ALA 33 39.417 0.004 20.310 210 HA ALA 33 HA ALA 33 36.783 -0.051 21.497 211 HB1 ALA 33 HB1 ALA 33 38.783 -1.947 20.920 212 HB2 ALA 33 HB2 ALA 33 37.212 -2.245 21.665 213 HB3 ALA 33 HB3 ALA 33 38.623 -1.934 22.676 214 H ILE 34 HN ILE 34 40.042 0.783 22.488 215 HA ILE 34 HA ILE 34 39.316 0.999 25.294 216 HB ILE 34 HB ILE 34 41.849 1.764 23.824 217 HG12 ILE 34 HG12 ILE 34 41.662 -0.508 25.750 218 HG13 ILE 34 HG11 ILE 34 40.932 -0.740 24.161 219 HG21 ILE 34 HG21 ILE 34 40.956 1.969 26.666 220 HG22 ILE 34 HG22 ILE 34 42.050 3.010 25.755 221 HG23 ILE 34 HG23 ILE 34 42.619 1.458 26.369 222 HD11 ILE 34 HD11 ILE 34 43.707 0.399 24.381 223 HD12 ILE 34 HD12 ILE 34 42.971 -0.482 23.042 224 HD13 ILE 34 HD13 ILE 34 43.459 -1.343 24.501 225 H TYR 35 HN TYR 35 39.266 2.971 22.498 226 HA TYR 35 HA TYR 35 39.572 5.514 23.784 227 HB2 TYR 35 HB2 TYR 35 39.636 4.705 21.196 228 HB3 TYR 35 HB1 TYR 35 38.006 5.373 21.280 229 HD1 TYR 35 HD2 TYR 35 37.646 7.740 21.931 230 HD2 TYR 35 HD1 TYR 35 41.585 6.113 21.398 231 HE1 TYR 35 HE2 TYR 35 38.581 10.035 21.832 232 HE2 TYR 35 HE1 TYR 35 42.520 8.408 21.299 233 HH TYR 35 HH TYR 35 40.487 11.210 21.069 234 H MET 36 HN MET 36 36.862 3.409 23.007 235 HA MET 36 HA MET 36 34.868 5.367 23.753 236 HB2 MET 36 HB2 MET 36 34.727 2.419 23.101 237 HB3 MET 36 HB1 MET 36 33.315 3.382 23.539 238 HG2 MET 36 HG2 MET 36 34.926 4.708 21.506 239 HG3 MET 36 HG1 MET 36 34.395 3.111 20.977 240 HE1 MET 36 HE1 MET 36 33.732 5.938 19.802 241 HE2 MET 36 HE2 MET 36 33.509 6.764 21.342 242 HE3 MET 36 HE3 MET 36 32.162 6.641 20.214 243 H LEU 37 HN LEU 37 36.607 2.747 25.281 244 HA LEU 37 HA LEU 37 34.894 2.520 27.562 245 HB2 LEU 37 HB2 LEU 37 37.451 1.391 26.656 246 HB3 LEU 37 HB1 LEU 37 37.356 1.615 28.401 247 HG LEU 37 HG LEU 37 36.521 -0.627 27.611 248 HD11 LEU 37 HD11 LEU 37 35.316 -0.561 29.506 249 HD12 LEU 37 HD12 LEU 37 34.026 0.296 28.663 250 HD13 LEU 37 HD13 LEU 37 35.318 1.201 29.449 251 HD21 LEU 37 HD21 LEU 37 34.872 -0.826 26.056 252 HD22 LEU 37 HD22 LEU 37 35.324 0.821 25.613 253 HD23 LEU 37 HD23 LEU 37 33.967 0.542 26.704 254 H VAL 38 HN VAL 38 36.256 5.177 26.644 255 HA VAL 38 HA VAL 38 36.921 6.033 29.382 256 HB VAL 38 HB VAL 38 38.528 6.695 26.902 257 HG11 VAL 38 HG11 VAL 38 39.987 7.726 28.859 258 HG12 VAL 38 HG12 VAL 38 38.426 7.826 29.676 259 HG13 VAL 38 HG13 VAL 38 38.673 8.656 28.139 260 HG21 VAL 38 HG21 VAL 38 40.354 5.578 28.215 261 HG22 VAL 38 HG22 VAL 38 39.051 4.479 27.763 262 HG23 VAL 38 HG23 VAL 38 39.147 5.103 29.410 263 H PHE 39 HN PHE 39 35.433 6.580 26.348 264 HA PHE 39 HA PHE 39 35.008 9.427 26.773 265 HB2 PHE 39 HB2 PHE 39 35.277 8.206 24.497 266 HB3 PHE 39 HB1 PHE 39 33.586 7.758 24.716 267 HD1 PHE 39 HD2 PHE 39 31.914 9.661 25.261 268 HD2 PHE 39 HD1 PHE 39 35.838 10.326 23.646 269 HE1 PHE 39 HE2 PHE 39 31.215 11.912 24.488 270 HE2 PHE 39 HE1 PHE 39 35.139 12.577 22.873 271 HZ PHE 39 HZ PHE 39 32.827 13.370 23.295 272 H LEU 40 HN LEU 40 32.749 6.727 26.166 273 HA LEU 40 HA LEU 40 30.471 8.006 27.161 274 HB2 LEU 40 HB2 LEU 40 29.504 5.739 27.341 275 HB3 LEU 40 HB1 LEU 40 30.350 5.967 25.812 276 HG LEU 40 HG LEU 40 32.358 5.048 27.471 277 HD11 LEU 40 HD11 LEU 40 30.698 4.540 29.232 278 HD12 LEU 40 HD12 LEU 40 31.426 3.065 28.598 279 HD13 LEU 40 HD13 LEU 40 29.802 3.534 28.092 280 HD21 LEU 40 HD21 LEU 40 32.101 2.937 26.200 281 HD22 LEU 40 HD22 LEU 40 31.909 4.343 25.151 282 HD23 LEU 40 HD23 LEU 40 30.490 3.446 25.692 283 H LEU 41 HN LEU 41 33.192 6.860 28.825 284 HA LEU 41 HA LEU 41 31.868 6.236 31.315 285 HB2 LEU 41 HB2 LEU 41 34.440 5.837 30.219 286 HB3 LEU 41 HB1 LEU 41 34.659 6.863 31.638 287 HG LEU 41 HG LEU 41 33.105 4.258 31.591 288 HD11 LEU 41 HD11 LEU 41 34.953 3.236 32.629 289 HD12 LEU 41 HD12 LEU 41 35.679 4.782 33.067 290 HD13 LEU 41 HD13 LEU 41 35.701 4.242 31.389 291 HD21 LEU 41 HD21 LEU 41 33.834 5.057 34.207 292 HD22 LEU 41 HD22 LEU 41 32.211 5.017 33.517 293 HD23 LEU 41 HD23 LEU 41 33.173 6.492 33.423 294 H GLY 42 HN GLY 42 33.780 8.939 30.026 295 HA2 GLY 42 HA2 GLY 42 33.921 10.549 32.283 296 HA3 GLY 42 HA1 GLY 42 33.851 11.161 30.632 297 H THR 43 HN THR 43 31.256 10.066 30.023 298 HA THR 43 HA THR 43 29.319 10.948 31.918 299 HB THR 43 HB THR 43 30.202 13.155 31.210 300 HG1 THR 43 HG1 THR 43 28.143 13.381 31.697 301 HG21 THR 43 HG21 THR 43 30.344 11.934 28.706 302 HG22 THR 43 HG22 THR 43 30.616 13.644 29.049 303 HG23 THR 43 HG23 THR 43 29.019 13.088 28.549 304 H THR 44 HN THR 44 27.789 11.998 29.415 305 HA THR 44 HA THR 44 26.222 11.150 27.971 306 HB THR 44 HB THR 44 28.540 9.281 27.551 307 HG1 THR 44 HG1 THR 44 28.035 11.655 26.772 308 HG21 THR 44 HG21 THR 44 26.836 7.827 26.923 309 HG22 THR 44 HG22 THR 44 27.108 8.702 25.416 310 HG23 THR 44 HG23 THR 44 25.752 9.138 26.457 311 H GLY 45 HN GLY 45 27.640 8.075 29.057 312 HA2 GLY 45 HA2 GLY 45 25.050 6.917 29.503 313 HA3 GLY 45 HA1 GLY 45 26.605 6.164 29.849 314 H ASN 46 HN ASN 46 25.983 9.311 31.100 315 HA ASN 46 HA ASN 46 25.242 8.239 33.727 316 HB2 ASN 46 HB2 ASN 46 27.169 8.838 34.707 317 HB3 ASN 46 HB1 ASN 46 27.832 9.105 33.097 318 HD21 ASN 46 HD21 ASN 46 27.488 11.372 32.179 319 HD22 ASN 46 HD22 ASN 46 27.445 12.673 33.271 320 H GLY 47 HN GLY 47 23.469 9.217 34.342 321 HA2 GLY 47 HA2 GLY 47 22.673 11.523 35.079 322 HA3 GLY 47 HA1 GLY 47 22.903 11.957 33.388 323 H LEU 48 HN LEU 48 21.673 10.628 31.783 324 HA LEU 48 HA LEU 48 18.953 10.184 32.797 325 HB2 LEU 48 HB2 LEU 48 20.126 11.113 30.265 326 HB3 LEU 48 HB1 LEU 48 18.800 9.971 30.061 327 HG LEU 48 HG LEU 48 18.071 12.381 30.159 328 HD11 LEU 48 HD11 LEU 48 16.127 11.502 30.866 329 HD12 LEU 48 HD12 LEU 48 16.711 11.531 32.530 330 HD13 LEU 48 HD13 LEU 48 16.994 10.113 31.521 331 HD21 LEU 48 HD21 LEU 48 19.886 12.580 32.198 332 HD22 LEU 48 HD22 LEU 48 18.375 12.437 33.098 333 HD23 LEU 48 HD23 LEU 48 18.581 13.733 31.919 334 H VAL 49 HN VAL 49 21.466 8.616 30.843 335 HA VAL 49 HA VAL 49 20.157 6.282 30.131 336 HB VAL 49 HB VAL 49 23.050 6.544 30.989 337 HG11 VAL 49 HG11 VAL 49 23.228 4.667 29.217 338 HG12 VAL 49 HG12 VAL 49 21.489 4.480 29.437 339 HG13 VAL 49 HG13 VAL 49 22.581 4.233 30.799 340 HG21 VAL 49 HG21 VAL 49 21.526 7.378 28.574 341 HG22 VAL 49 HG22 VAL 49 23.073 6.581 28.282 342 HG23 VAL 49 HG23 VAL 49 23.008 8.048 29.257 343 H LEU 50 HN LEU 50 20.756 7.410 33.240 344 HA LEU 50 HA LEU 50 20.810 4.731 34.443 345 HB2 LEU 50 HB2 LEU 50 20.895 7.390 35.873 346 HB3 LEU 50 HB1 LEU 50 21.381 5.812 36.492 347 HG LEU 50 HG LEU 50 22.714 7.309 34.216 348 HD11 LEU 50 HD11 LEU 50 23.436 6.823 37.110 349 HD12 LEU 50 HD12 LEU 50 23.347 8.361 36.252 350 HD13 LEU 50 HD13 LEU 50 24.654 7.231 35.901 351 HD21 LEU 50 HD21 LEU 50 24.443 5.370 34.786 352 HD22 LEU 50 HD22 LEU 50 23.110 5.088 33.667 353 HD23 LEU 50 HD23 LEU 50 22.986 4.544 35.339 354 H TRP 51 HN TRP 51 18.852 7.683 34.355 355 HA TRP 51 HA TRP 51 16.865 6.911 36.177 356 HB2 TRP 51 HB2 TRP 51 16.189 8.987 35.680 357 HB3 TRP 51 HB1 TRP 51 17.293 9.033 34.306 358 HD1 TRP 51 HD1 TRP 51 16.319 7.912 31.976 359 HE1 TRP 51 HE1 TRP 51 13.918 7.959 31.038 360 HE3 TRP 51 HE3 TRP 51 13.734 9.066 36.226 361 HZ2 TRP 51 HZ2 TRP 51 11.254 8.424 31.968 362 HZ3 TRP 51 HZ3 TRP 51 11.268 9.304 36.172 363 HH2 TRP 51 HH2 TRP 51 10.026 8.986 34.050 364 H THR 52 HN THR 52 17.659 5.575 33.182 365 HA THR 52 HA THR 52 14.942 4.532 32.732 366 HB THR 52 HB THR 52 16.389 5.584 30.867 367 HG1 THR 52 HG1 THR 52 15.753 3.152 29.890 368 HG21 THR 52 HG21 THR 52 18.343 4.007 31.705 369 HG22 THR 52 HG22 THR 52 18.164 4.378 29.991 370 HG23 THR 52 HG23 THR 52 17.571 2.845 30.628 371 H VAL 53 HN VAL 53 18.020 3.662 33.965 372 HA VAL 53 HA VAL 53 17.872 0.844 33.475 373 HB VAL 53 HB VAL 53 19.505 2.534 35.370 374 HG11 VAL 53 HG11 VAL 53 19.415 0.522 36.561 375 HG12 VAL 53 HG12 VAL 53 20.819 0.269 35.526 376 HG13 VAL 53 HG13 VAL 53 19.267 -0.451 35.098 377 HG21 VAL 53 HG21 VAL 53 21.072 2.512 33.720 378 HG22 VAL 53 HG22 VAL 53 19.728 2.074 32.664 379 HG23 VAL 53 HG23 VAL 53 20.769 0.818 33.335 380 H PHE 54 HN PHE 54 16.387 2.971 35.714 381 HA PHE 54 HA PHE 54 15.724 0.756 37.541 382 HB2 PHE 54 HB2 PHE 54 15.558 2.281 39.218 383 HB3 PHE 54 HB1 PHE 54 16.567 3.257 38.148 384 HD1 PHE 54 HD2 PHE 54 15.604 5.052 36.789 385 HD2 PHE 54 HD1 PHE 54 13.183 2.759 39.493 386 HE1 PHE 54 HE2 PHE 54 13.808 6.756 36.623 387 HE2 PHE 54 HE1 PHE 54 11.386 4.460 39.328 388 HZ PHE 54 HZ PHE 54 11.699 6.459 37.893 389 H ARG 55 HN ARG 55 14.542 2.101 34.810 390 HA ARG 55 HA ARG 55 11.714 1.884 35.637 391 HB2 ARG 55 HB2 ARG 55 13.048 3.251 33.295 392 HB3 ARG 55 HB1 ARG 55 11.304 2.994 33.382 393 HG2 ARG 55 HG2 ARG 55 12.362 4.111 35.861 394 HG3 ARG 55 HG1 ARG 55 12.698 5.148 34.474 395 HD2 ARG 55 HD2 ARG 55 10.464 5.547 35.639 396 HD3 ARG 55 HD1 ARG 55 10.390 5.297 33.899 397 HE ARG 55 HE ARG 55 9.310 3.257 34.275 398 HH11 ARG 55 HH21 ARG 55 10.580 4.612 37.195 399 HH12 ARG 55 HH22 ARG 55 9.747 3.504 38.234 400 HH21 ARG 55 HH11 ARG 55 8.214 1.801 35.630 401 HH22 ARG 55 HH12 ARG 55 8.408 1.912 37.348 402 H LYS 56 HN LYS 56 13.937 0.971 33.005 403 HA LYS 56 HA LYS 56 12.280 -0.671 31.528 404 HB2 LYS 56 HB2 LYS 56 15.202 -1.170 32.148 405 HB3 LYS 56 HB1 LYS 56 14.302 -1.821 30.778 406 HG2 LYS 56 HG2 LYS 56 13.974 1.052 30.921 407 HG3 LYS 56 HG1 LYS 56 15.686 0.629 30.879 408 HD2 LYS 56 HD2 LYS 56 13.632 -0.492 28.956 409 HD3 LYS 56 HD1 LYS 56 14.649 0.904 28.600 410 HE2 LYS 56 HE2 LYS 56 16.385 -0.425 28.071 411 HE3 LYS 56 HE1 LYS 56 16.266 -1.264 29.618 412 HZ1 LYS 56 HZ1 LYS 56 15.179 -2.958 28.694 413 HZ2 LYS 56 HZ2 LYS 56 15.724 -2.352 27.204 414 HZ3 LYS 56 HZ3 LYS 56 14.174 -1.951 27.772 415 H LYS 57 HN LYS 57 14.532 -1.817 34.056 416 HA LYS 57 HA LYS 57 13.266 -4.389 34.205 417 HB2 LYS 57 HB2 LYS 57 15.226 -3.088 36.112 418 HB3 LYS 57 HB1 LYS 57 14.811 -4.801 36.055 419 HG2 LYS 57 HG2 LYS 57 16.269 -5.165 34.378 420 HG3 LYS 57 HG1 LYS 57 15.571 -3.855 33.425 421 HD2 LYS 57 HD2 LYS 57 17.948 -3.413 33.916 422 HD3 LYS 57 HD1 LYS 57 16.912 -2.214 34.690 423 HE2 LYS 57 HE2 LYS 57 17.367 -4.574 36.366 424 HE3 LYS 57 HE1 LYS 57 18.855 -3.716 35.971 425 HZ1 LYS 57 HZ1 LYS 57 18.216 -2.470 37.720 426 HZ2 LYS 57 HZ2 LYS 57 16.569 -2.846 37.546 427 HZ3 LYS 57 HZ3 LYS 57 17.285 -1.672 36.549 428 H GLY 58 HN GLY 58 11.356 -2.366 34.569 429 HA2 GLY 58 HA2 GLY 58 10.793 -2.213 37.430 430 HA3 GLY 58 HA1 GLY 58 9.880 -1.434 36.142 431 H HIS 59 HN HIS 59 10.429 -4.455 37.851 432 HA HIS 59 HA HIS 59 8.728 -6.184 36.520 433 HB2 HIS 59 HB2 HIS 59 9.239 -5.921 39.491 434 HB3 HIS 59 HB1 HIS 59 8.407 -7.286 38.747 435 HD2 HIS 59 HD2 HIS 59 10.342 -7.961 36.243 436 HE1 HIS 59 HE1 HIS 59 13.521 -7.932 39.022 437 HE2 HIS 59 HE2 HIS 59 12.814 -8.672 36.698 438 H HIS 60 HN HIS 60 7.950 -3.473 38.574 439 HA HIS 60 HA HIS 60 5.403 -3.928 39.429 440 HB2 HIS 60 HB2 HIS 60 6.679 -1.454 38.288 441 HB3 HIS 60 HB1 HIS 60 5.004 -1.438 38.840 442 HD2 HIS 60 HD2 HIS 60 5.012 -0.524 41.438 443 HE1 HIS 60 HE1 HIS 60 8.537 -2.437 42.753 444 HE2 HIS 60 HE2 HIS 60 6.606 -0.947 43.461 445 H HIS 61 HN HIS 61 5.742 -1.964 36.502 446 HA HIS 61 HA HIS 61 3.202 -2.595 35.491 447 HB2 HIS 61 HB2 HIS 61 5.699 -1.502 34.203 448 HB3 HIS 61 HB1 HIS 61 4.214 -1.757 33.286 449 HD2 HIS 61 HD2 HIS 61 3.439 -0.600 36.859 450 HE1 HIS 61 HE1 HIS 61 3.318 2.862 34.448 451 HE2 HIS 61 HE2 HIS 61 2.772 1.922 36.742 452 H HIS 62 HN HIS 62 5.535 -3.177 33.080 453 HA HIS 62 HA HIS 62 5.704 -4.966 31.620 454 HB2 HIS 62 HB2 HIS 62 7.286 -5.435 33.576 455 HB3 HIS 62 HB1 HIS 62 6.065 -6.574 34.146 456 HD2 HIS 62 HD2 HIS 62 7.434 -6.094 30.426 457 HE1 HIS 62 HE1 HIS 62 7.760 -10.158 31.525 458 HE2 HIS 62 HE2 HIS 62 8.109 -8.491 29.641 459 H HIS 63 HN HIS 63 3.590 -5.111 30.816 460 HA HIS 63 HA HIS 63 1.341 -6.177 31.968 461 HB2 HIS 63 HB2 HIS 63 0.749 -6.955 29.613 462 HB3 HIS 63 HB1 HIS 63 1.154 -5.246 29.787 463 HD2 HIS 63 HD2 HIS 63 3.272 -4.428 28.190 464 HE1 HIS 63 HE1 HIS 63 4.689 -8.256 27.113 465 HE2 HIS 63 HE2 HIS 63 4.975 -5.763 26.729 466 H HIS 64 HN HIS 64 0.610 -8.149 32.538 467 HA HIS 64 HA HIS 64 0.701 -10.370 33.132 468 HB2 HIS 64 HB2 HIS 64 1.400 -10.213 30.272 469 HB3 HIS 64 HB1 HIS 64 1.884 -11.709 31.072 470 HD2 HIS 64 HD2 HIS 64 -1.129 -10.584 29.252 471 HE1 HIS 64 HE1 HIS 64 -2.699 -12.988 32.346 472 HE2 HIS 64 HE2 HIS 64 -3.231 -11.858 30.134 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 33.114 -8.271 65.912 2 H2 MET 1 HT2 MET 1 34.798 -8.082 66.028 3 H3 MET 1 HT3 MET 1 34.076 -8.381 64.520 4 HA MET 1 HA MET 1 33.156 -6.027 65.969 5 HB2 MET 1 HB2 MET 1 35.891 -6.293 64.695 6 HB3 MET 1 HB1 MET 1 35.110 -4.740 64.997 7 HG2 MET 1 HG2 MET 1 35.045 -6.488 67.338 8 HG3 MET 1 HG1 MET 1 36.690 -6.139 66.807 9 HE1 MET 1 HE1 MET 1 35.916 -5.498 69.438 10 HE2 MET 1 HE2 MET 1 36.028 -3.780 69.811 11 HE3 MET 1 HE3 MET 1 37.363 -4.584 68.991 12 H GLU 2 HN GLU 2 32.734 -4.314 64.343 13 HA GLU 2 HA GLU 2 32.447 -5.326 61.593 14 HB2 GLU 2 HB2 GLU 2 30.150 -4.435 61.485 15 HB3 GLU 2 HB1 GLU 2 30.290 -5.710 62.696 16 HG2 GLU 2 HG2 GLU 2 30.927 -3.416 64.119 17 HG3 GLU 2 HG1 GLU 2 29.636 -2.878 63.045 18 H GLU 3 HN GLU 3 34.100 -3.942 60.926 19 HA GLU 3 HA GLU 3 33.281 -1.145 60.652 20 HB2 GLU 3 HB2 GLU 3 35.408 -2.057 62.414 21 HB3 GLU 3 HB1 GLU 3 36.007 -0.942 61.186 22 HG2 GLU 3 HG2 GLU 3 34.286 0.691 61.786 23 HG3 GLU 3 HG1 GLU 3 33.605 -0.429 62.964 24 H GLY 4 HN GLY 4 33.123 -1.214 58.465 25 HA2 GLY 4 HA2 GLY 4 34.914 -0.669 56.656 26 HA3 GLY 4 HA1 GLY 4 35.346 -2.357 56.912 27 H GLY 5 HN GLY 5 32.969 -3.621 57.148 28 HA2 GLY 5 HA2 GLY 5 30.983 -4.215 56.068 29 HA3 GLY 5 HA1 GLY 5 31.177 -2.831 54.998 30 H ASP 6 HN ASP 6 30.417 -5.324 54.027 31 HA ASP 6 HA ASP 6 32.736 -5.965 52.329 32 HB2 ASP 6 HB2 ASP 6 31.060 -7.905 53.911 33 HB3 ASP 6 HB1 ASP 6 31.915 -8.404 52.452 34 H PHE 7 HN PHE 7 31.058 -4.311 51.275 35 HA PHE 7 HA PHE 7 28.930 -5.796 49.892 36 HB2 PHE 7 HB2 PHE 7 29.511 -2.864 50.268 37 HB3 PHE 7 HB1 PHE 7 28.364 -3.430 49.055 38 HD1 PHE 7 HD1 PHE 7 29.191 -3.736 52.693 39 HD2 PHE 7 HD2 PHE 7 26.151 -3.931 49.664 40 HE1 PHE 7 HE1 PHE 7 27.458 -3.989 54.449 41 HE2 PHE 7 HE2 PHE 7 24.418 -4.184 51.421 42 HZ PHE 7 HZ PHE 7 25.071 -4.214 53.813 43 H ASP 8 HN ASP 8 29.863 -6.906 48.241 44 HA ASP 8 HA ASP 8 31.181 -5.292 46.160 45 HB2 ASP 8 HB2 ASP 8 32.182 -8.023 46.973 46 HB3 ASP 8 HB1 ASP 8 32.927 -6.893 45.845 47 H ASN 9 HN ASN 9 28.564 -5.900 45.994 48 HA ASN 9 HA ASN 9 28.526 -7.920 43.853 49 HB2 ASN 9 HB2 ASN 9 26.375 -7.746 45.970 50 HB3 ASN 9 HB1 ASN 9 26.520 -8.943 44.684 51 HD21 ASN 9 HD21 ASN 9 27.599 -10.847 45.240 52 HD22 ASN 9 HD22 ASN 9 28.605 -11.026 46.595 53 H TYR 10 HN TYR 10 28.664 -5.158 43.519 54 HA TYR 10 HA TYR 10 26.262 -3.766 43.318 55 HB2 TYR 10 HB2 TYR 10 28.720 -3.633 41.557 56 HB3 TYR 10 HB1 TYR 10 27.406 -2.456 41.521 57 HD1 TYR 10 HD1 TYR 10 30.218 -3.795 43.485 58 HD2 TYR 10 HD2 TYR 10 27.021 -0.928 43.390 59 HE1 TYR 10 HE1 TYR 10 31.226 -2.606 45.413 60 HE2 TYR 10 HE2 TYR 10 28.029 0.260 45.319 61 HH TYR 10 HH TYR 10 31.187 -0.661 46.597 62 H TYR 11 HN TYR 11 24.600 -3.728 41.894 63 HA TYR 11 HA TYR 11 23.998 -5.966 40.327 64 HB2 TYR 11 HB2 TYR 11 22.101 -4.757 39.565 65 HB3 TYR 11 HB1 TYR 11 22.402 -4.176 41.203 66 HD1 TYR 11 HD2 TYR 11 23.732 -2.026 41.516 67 HD2 TYR 11 HD1 TYR 11 22.181 -3.279 37.711 68 HE1 TYR 11 HE2 TYR 11 23.982 0.285 40.653 69 HE2 TYR 11 HE1 TYR 11 22.432 -0.967 36.848 70 HH TYR 11 HH TYR 11 23.713 1.042 37.322 71 H GLY 12 HN GLY 12 23.408 -5.697 37.897 72 HA2 GLY 12 HA2 GLY 12 24.284 -4.247 35.934 73 HA3 GLY 12 HA1 GLY 12 25.852 -4.776 36.536 74 H ALA 13 HN ALA 13 23.566 -5.406 34.270 75 HA ALA 13 HA ALA 13 23.894 -8.321 34.283 76 HB1 ALA 13 HB1 ALA 13 22.160 -8.385 32.652 77 HB2 ALA 13 HB2 ALA 13 22.331 -6.665 32.299 78 HB3 ALA 13 HB3 ALA 13 21.658 -7.187 33.844 79 H ASP 14 HN ASP 14 26.283 -7.034 33.866 80 HA ASP 14 HA ASP 14 26.759 -6.921 30.984 81 HB2 ASP 14 HB2 ASP 14 29.061 -6.263 31.662 82 HB3 ASP 14 HB1 ASP 14 27.820 -5.209 32.337 83 H ASN 15 HN ASN 15 26.191 -9.251 30.787 84 HA ASN 15 HA ASN 15 28.617 -10.840 30.825 85 HB2 ASN 15 HB2 ASN 15 26.341 -11.344 32.689 86 HB3 ASN 15 HB1 ASN 15 27.137 -12.734 31.955 87 HD21 ASN 15 HD21 ASN 15 29.804 -11.999 31.889 88 HD22 ASN 15 HD22 ASN 15 30.370 -11.685 33.459 89 H GLN 16 HN GLN 16 25.190 -11.781 30.796 90 HA GLN 16 HA GLN 16 25.411 -13.453 28.552 91 HB2 GLN 16 HB2 GLN 16 23.066 -13.657 28.644 92 HB3 GLN 16 HB1 GLN 16 23.529 -13.320 30.311 93 HG2 GLN 16 HG2 GLN 16 22.286 -11.454 28.294 94 HG3 GLN 16 HG1 GLN 16 21.729 -11.843 29.920 95 HE21 GLN 16 HE21 GLN 16 23.065 -9.344 28.256 96 HE22 GLN 16 HE22 GLN 16 23.978 -8.621 29.490 97 H SER 17 HN SER 17 25.766 -10.176 28.643 98 HA SER 17 HA SER 17 24.439 -9.593 26.111 99 HB2 SER 17 HB2 SER 17 25.513 -8.051 28.334 100 HB3 SER 17 HB1 SER 17 26.025 -7.409 26.776 101 HG SER 17 HG SER 17 23.853 -6.802 27.771 102 H GLU 18 HN GLU 18 25.393 -9.871 24.208 103 HA GLU 18 HA GLU 18 28.167 -10.618 24.021 104 HB2 GLU 18 HB2 GLU 18 26.371 -11.558 22.555 105 HB3 GLU 18 HB1 GLU 18 26.232 -9.977 21.786 106 HG2 GLU 18 HG2 GLU 18 27.930 -10.529 20.422 107 HG3 GLU 18 HG1 GLU 18 28.994 -10.610 21.825 108 H CYS 19 HN CYS 19 28.356 -8.254 25.177 109 HA CYS 19 HA CYS 19 29.044 -6.049 24.989 110 HB2 CYS 19 HB2 CYS 19 30.948 -7.640 24.113 111 HB3 CYS 19 HB1 CYS 19 30.574 -6.896 22.558 112 HG CYS 19 HG CYS 19 32.213 -5.587 24.649 113 H GLU 20 HN GLU 20 30.037 -5.135 22.231 114 HA GLU 20 HA GLU 20 27.445 -4.095 21.368 115 HB2 GLU 20 HB2 GLU 20 30.274 -3.288 20.662 116 HB3 GLU 20 HB1 GLU 20 28.826 -2.521 20.008 117 HG2 GLU 20 HG2 GLU 20 29.303 -2.774 22.981 118 HG3 GLU 20 HG1 GLU 20 29.887 -1.393 22.053 119 H TYR 21 HN TYR 21 29.177 -6.745 20.721 120 HA TYR 21 HA TYR 21 29.581 -8.071 18.868 121 HB2 TYR 21 HB2 TYR 21 27.469 -8.501 17.621 122 HB3 TYR 21 HB1 TYR 21 27.264 -8.532 19.373 123 HD1 TYR 21 HD1 TYR 21 26.596 -6.631 16.282 124 HD2 TYR 21 HD2 TYR 21 26.059 -6.769 20.542 125 HE1 TYR 21 HE1 TYR 21 24.888 -4.842 16.124 126 HE2 TYR 21 HE2 TYR 21 24.350 -4.979 20.383 127 HH TYR 21 HH TYR 21 22.693 -4.205 18.260 128 H THR 22 HN THR 22 30.211 -5.143 18.540 129 HA THR 22 HA THR 22 29.849 -4.869 15.626 130 HB THR 22 HB THR 22 30.559 -2.878 17.785 131 HG1 THR 22 HG1 THR 22 28.493 -2.632 17.674 132 HG21 THR 22 HG21 THR 22 30.749 -2.702 14.784 133 HG22 THR 22 HG22 THR 22 31.917 -2.177 15.997 134 HG23 THR 22 HG23 THR 22 30.429 -1.264 15.754 135 H ASP 23 HN ASP 23 32.185 -5.460 18.100 136 HA ASP 23 HA ASP 23 34.413 -4.989 16.236 137 HB2 ASP 23 HB2 ASP 23 35.840 -4.924 18.107 138 HB3 ASP 23 HB1 ASP 23 34.386 -4.085 18.643 139 H TRP 24 HN TRP 24 32.377 -7.425 17.155 140 HA TRP 24 HA TRP 24 33.900 -9.668 17.652 141 HB2 TRP 24 HB2 TRP 24 32.074 -10.965 16.731 142 HB3 TRP 24 HB1 TRP 24 31.406 -9.581 17.595 143 HD1 TRP 24 HD1 TRP 24 31.227 -7.298 15.783 144 HE1 TRP 24 HE1 TRP 24 30.047 -7.320 13.494 145 HE3 TRP 24 HE3 TRP 24 31.245 -12.315 14.835 146 HZ2 TRP 24 HZ2 TRP 24 29.217 -9.217 11.519 147 HZ3 TRP 24 HZ3 TRP 24 30.255 -13.202 12.744 148 HH2 TRP 24 HH2 TRP 24 29.241 -11.661 11.086 149 H LYS 25 HN LYS 25 33.378 -8.016 14.579 150 HA LYS 25 HA LYS 25 35.293 -9.892 13.316 151 HB2 LYS 25 HB2 LYS 25 34.147 -9.599 11.220 152 HB3 LYS 25 HB1 LYS 25 32.949 -10.043 12.435 153 HG2 LYS 25 HG2 LYS 25 31.811 -8.217 11.721 154 HG3 LYS 25 HG1 LYS 25 32.997 -7.291 12.639 155 HD2 LYS 25 HD2 LYS 25 33.043 -6.329 10.473 156 HD3 LYS 25 HD1 LYS 25 34.452 -7.388 10.510 157 HE2 LYS 25 HE2 LYS 25 32.475 -9.100 9.653 158 HE3 LYS 25 HE1 LYS 25 32.005 -7.583 8.889 159 HZ1 LYS 25 HZ1 LYS 25 34.777 -8.614 8.789 160 HZ2 LYS 25 HZ2 LYS 25 34.070 -7.405 7.826 161 HZ3 LYS 25 HZ3 LYS 25 33.616 -9.030 7.624 162 H SER 26 HN SER 26 34.785 -6.739 14.341 163 HA SER 26 HA SER 26 36.349 -5.466 12.244 164 HB2 SER 26 HB2 SER 26 34.407 -4.539 13.935 165 HB3 SER 26 HB1 SER 26 35.872 -3.961 14.724 166 HG SER 26 HG SER 26 34.682 -2.912 12.660 167 H SER 27 HN SER 27 37.445 -7.616 14.053 168 HA SER 27 HA SER 27 39.598 -8.067 14.776 169 HB2 SER 27 HB2 SER 27 40.067 -5.870 13.324 170 HB3 SER 27 HB1 SER 27 40.373 -5.197 14.924 171 HG SER 27 HG SER 27 41.945 -6.709 15.250 172 H GLY 28 HN GLY 28 37.393 -7.709 16.496 173 HA2 GLY 28 HA2 GLY 28 36.819 -7.258 18.692 174 HA3 GLY 28 HA1 GLY 28 38.475 -7.771 19.003 175 H ALA 29 HN ALA 29 38.038 -5.005 17.007 176 HA ALA 29 HA ALA 29 38.743 -2.827 17.285 177 HB1 ALA 29 HB1 ALA 29 36.618 -2.476 18.265 178 HB2 ALA 29 HB2 ALA 29 37.762 -1.751 19.394 179 HB3 ALA 29 HB3 ALA 29 37.066 -3.334 19.739 180 H LEU 30 HN LEU 30 40.941 -2.846 17.440 181 HA LEU 30 HA LEU 30 42.342 -3.714 19.786 182 HB2 LEU 30 HB2 LEU 30 43.210 -2.188 17.326 183 HB3 LEU 30 HB1 LEU 30 44.318 -2.659 18.615 184 HG LEU 30 HG LEU 30 42.611 -4.866 17.722 185 HD11 LEU 30 HD11 LEU 30 44.000 -5.151 15.594 186 HD12 LEU 30 HD12 LEU 30 44.440 -3.453 15.770 187 HD13 LEU 30 HD13 LEU 30 42.752 -3.906 15.538 188 HD21 LEU 30 HD21 LEU 30 45.627 -4.591 17.720 189 HD22 LEU 30 HD22 LEU 30 44.680 -6.073 17.852 190 HD23 LEU 30 HD23 LEU 30 44.700 -4.917 19.184 191 H ILE 31 HN ILE 31 42.815 -0.546 18.288 192 HA ILE 31 HA ILE 31 43.154 0.658 20.889 193 HB ILE 31 HB ILE 31 43.512 1.555 18.062 194 HG12 ILE 31 HG12 ILE 31 45.218 0.464 19.771 195 HG13 ILE 31 HG11 ILE 31 45.735 1.757 18.690 196 HG21 ILE 31 HG21 ILE 31 42.365 3.471 18.839 197 HG22 ILE 31 HG22 ILE 31 44.065 3.856 19.099 198 HG23 ILE 31 HG23 ILE 31 43.062 3.341 20.455 199 HD11 ILE 31 HD11 ILE 31 45.654 3.382 20.401 200 HD12 ILE 31 HD12 ILE 31 46.342 1.969 21.200 201 HD13 ILE 31 HD13 ILE 31 44.642 2.373 21.436 202 HA PRO 32 HA PRO 32 39.090 2.900 19.256 203 HB2 PRO 32 HB2 PRO 32 37.666 0.461 18.342 204 HB3 PRO 32 HB1 PRO 32 37.698 2.084 17.628 205 HG2 PRO 32 HG2 PRO 32 38.996 0.032 16.519 206 HG3 PRO 32 HG1 PRO 32 39.635 1.685 16.473 207 HD2 PRO 32 HD2 PRO 32 40.490 -0.620 18.181 208 HD3 PRO 32 HD1 PRO 32 41.469 0.674 17.460 209 H ALA 33 HN ALA 33 39.182 -0.420 20.476 210 HA ALA 33 HA ALA 33 36.894 -0.428 22.067 211 HB1 ALA 33 HB1 ALA 33 39.461 -1.907 22.033 212 HB2 ALA 33 HB2 ALA 33 37.806 -2.515 22.080 213 HB3 ALA 33 HB3 ALA 33 38.573 -1.933 23.557 214 H ILE 34 HN ILE 34 39.997 1.092 22.576 215 HA ILE 34 HA ILE 34 39.430 1.702 25.367 216 HB ILE 34 HB ILE 34 41.688 2.794 23.686 217 HG12 ILE 34 HG12 ILE 34 41.426 0.135 25.117 218 HG13 ILE 34 HG11 ILE 34 41.797 0.403 23.413 219 HG21 ILE 34 HG21 ILE 34 42.750 3.191 25.759 220 HG22 ILE 34 HG22 ILE 34 41.664 2.103 26.623 221 HG23 ILE 34 HG23 ILE 34 41.076 3.662 26.047 222 HD11 ILE 34 HD11 ILE 34 43.909 -0.034 24.357 223 HD12 ILE 34 HD12 ILE 34 43.548 0.888 25.817 224 HD13 ILE 34 HD13 ILE 34 43.851 1.728 24.296 225 H TYR 35 HN TYR 35 39.664 3.405 22.265 226 HA TYR 35 HA TYR 35 39.366 6.026 23.075 227 HB2 TYR 35 HB2 TYR 35 39.429 4.787 20.667 228 HB3 TYR 35 HB1 TYR 35 37.726 5.241 20.742 229 HD1 TYR 35 HD2 TYR 35 37.072 7.626 21.038 230 HD2 TYR 35 HD1 TYR 35 41.161 6.446 20.459 231 HE1 TYR 35 HE2 TYR 35 37.670 9.969 20.486 232 HE2 TYR 35 HE1 TYR 35 41.759 8.789 19.907 233 HH TYR 35 HH TYR 35 39.902 11.376 20.625 234 H MET 36 HN MET 36 36.966 3.478 22.944 235 HA MET 36 HA MET 36 34.784 5.323 23.536 236 HB2 MET 36 HB2 MET 36 34.961 2.364 23.011 237 HB3 MET 36 HB1 MET 36 33.489 3.094 23.654 238 HG2 MET 36 HG2 MET 36 33.139 4.393 21.735 239 HG3 MET 36 HG1 MET 36 34.825 4.274 21.232 240 HE1 MET 36 HE1 MET 36 34.008 2.246 18.291 241 HE2 MET 36 HE2 MET 36 35.222 3.200 19.142 242 HE3 MET 36 HE3 MET 36 33.624 3.881 18.849 243 H LEU 37 HN LEU 37 36.741 2.867 25.136 244 HA LEU 37 HA LEU 37 35.280 2.548 27.490 245 HB2 LEU 37 HB2 LEU 37 37.402 1.308 26.721 246 HB3 LEU 37 HB1 LEU 37 38.295 2.658 27.413 247 HG LEU 37 HG LEU 37 37.105 2.269 29.588 248 HD11 LEU 37 HD11 LEU 37 35.807 0.165 27.930 249 HD12 LEU 37 HD12 LEU 37 35.172 1.070 29.302 250 HD13 LEU 37 HD13 LEU 37 36.253 -0.296 29.572 251 HD21 LEU 37 HD21 LEU 37 39.078 1.229 29.938 252 HD22 LEU 37 HD22 LEU 37 39.099 0.571 28.303 253 HD23 LEU 37 HD23 LEU 37 38.236 -0.280 29.584 254 H VAL 38 HN VAL 38 36.920 5.284 26.292 255 HA VAL 38 HA VAL 38 36.788 6.599 28.941 256 HB VAL 38 HB VAL 38 38.457 7.601 26.651 257 HG11 VAL 38 HG11 VAL 38 39.282 7.770 29.495 258 HG12 VAL 38 HG12 VAL 38 37.841 8.688 29.062 259 HG13 VAL 38 HG13 VAL 38 39.364 8.991 28.226 260 HG21 VAL 38 HG21 VAL 38 39.566 5.604 26.776 261 HG22 VAL 38 HG22 VAL 38 38.896 5.217 28.362 262 HG23 VAL 38 HG23 VAL 38 40.265 6.322 28.228 263 H PHE 39 HN PHE 39 34.792 6.221 26.649 264 HA PHE 39 HA PHE 39 34.110 9.083 26.331 265 HB2 PHE 39 HB2 PHE 39 34.863 7.763 24.226 266 HB3 PHE 39 HB1 PHE 39 33.287 6.983 24.345 267 HD1 PHE 39 HD1 PHE 39 34.942 10.327 24.179 268 HD2 PHE 39 HD2 PHE 39 31.335 8.073 23.581 269 HE1 PHE 39 HE1 PHE 39 33.881 12.305 23.126 270 HE2 PHE 39 HE2 PHE 39 30.273 10.051 22.527 271 HZ PHE 39 HZ PHE 39 31.547 12.167 22.300 272 H LEU 40 HN LEU 40 33.317 6.441 27.990 273 HA LEU 40 HA LEU 40 30.477 7.199 28.089 274 HB2 LEU 40 HB2 LEU 40 29.831 4.812 28.237 275 HB3 LEU 40 HB1 LEU 40 30.544 5.218 26.678 276 HG LEU 40 HG LEU 40 32.761 4.503 28.154 277 HD11 LEU 40 HD11 LEU 40 31.054 3.746 29.932 278 HD12 LEU 40 HD12 LEU 40 32.274 2.570 29.444 279 HD13 LEU 40 HD13 LEU 40 30.635 2.458 28.804 280 HD21 LEU 40 HD21 LEU 40 32.675 2.414 26.827 281 HD22 LEU 40 HD22 LEU 40 32.225 3.810 25.847 282 HD23 LEU 40 HD23 LEU 40 30.977 2.724 26.459 283 H LEU 41 HN LEU 41 33.299 5.787 29.611 284 HA LEU 41 HA LEU 41 32.438 4.890 32.026 285 HB2 LEU 41 HB2 LEU 41 34.868 6.192 31.048 286 HB3 LEU 41 HB1 LEU 41 34.587 6.483 32.763 287 HG LEU 41 HG LEU 41 35.932 4.416 32.307 288 HD11 LEU 41 HD11 LEU 41 35.092 3.732 34.275 289 HD12 LEU 41 HD12 LEU 41 33.682 3.069 33.449 290 HD13 LEU 41 HD13 LEU 41 33.667 4.738 34.016 291 HD21 LEU 41 HD21 LEU 41 34.094 4.012 30.282 292 HD22 LEU 41 HD22 LEU 41 33.574 2.857 31.508 293 HD23 LEU 41 HD23 LEU 41 35.222 2.799 30.886 294 H GLY 42 HN GLY 42 32.642 8.261 31.001 295 HA2 GLY 42 HA2 GLY 42 30.558 9.184 32.598 296 HA3 GLY 42 HA1 GLY 42 32.037 9.421 33.525 297 H THR 43 HN THR 43 30.967 9.863 30.142 298 HA THR 43 HA THR 43 32.011 12.623 30.257 299 HB THR 43 HB THR 43 33.430 12.334 28.521 300 HG1 THR 43 HG1 THR 43 32.288 10.296 27.150 301 HG21 THR 43 HG21 THR 43 33.914 10.412 30.070 302 HG22 THR 43 HG22 THR 43 34.416 10.130 28.404 303 HG23 THR 43 HG23 THR 43 32.938 9.388 29.018 304 H THR 44 HN THR 44 30.307 10.419 28.013 305 HA THR 44 HA THR 44 28.663 12.571 27.015 306 HB THR 44 HB THR 44 27.570 10.076 26.253 307 HG1 THR 44 HG1 THR 44 29.664 9.276 25.360 308 HG21 THR 44 HG21 THR 44 27.774 12.126 24.881 309 HG22 THR 44 HG22 THR 44 28.450 10.722 24.056 310 HG23 THR 44 HG23 THR 44 29.522 11.897 24.818 311 H GLY 45 HN GLY 45 28.410 10.092 29.443 312 HA2 GLY 45 HA2 GLY 45 26.667 10.860 31.174 313 HA3 GLY 45 HA1 GLY 45 25.545 10.686 29.828 314 H ASN 46 HN ASN 46 26.556 8.388 28.624 315 HA ASN 46 HA ASN 46 26.046 6.131 28.729 316 HB2 ASN 46 HB2 ASN 46 27.529 4.919 30.266 317 HB3 ASN 46 HB1 ASN 46 28.394 6.220 29.449 318 HD21 ASN 46 HD21 ASN 46 28.766 8.245 30.733 319 HD22 ASN 46 HD22 ASN 46 28.815 8.156 32.427 320 H GLY 47 HN GLY 47 23.844 6.112 29.206 321 HA2 GLY 47 HA2 GLY 47 23.034 4.761 31.521 322 HA3 GLY 47 HA1 GLY 47 22.726 6.476 31.775 323 H LEU 48 HN LEU 48 21.747 7.501 29.615 324 HA LEU 48 HA LEU 48 19.859 5.744 28.279 325 HB2 LEU 48 HB2 LEU 48 18.897 6.541 30.579 326 HB3 LEU 48 HB1 LEU 48 18.669 8.078 29.742 327 HG LEU 48 HG LEU 48 17.654 6.440 27.870 328 HD11 LEU 48 HD11 LEU 48 16.501 4.570 28.810 329 HD12 LEU 48 HD12 LEU 48 16.865 5.086 30.458 330 HD13 LEU 48 HD13 LEU 48 18.152 4.470 29.422 331 HD21 LEU 48 HD21 LEU 48 16.494 8.353 28.898 332 HD22 LEU 48 HD22 LEU 48 16.192 7.402 30.352 333 HD23 LEU 48 HD23 LEU 48 15.422 6.954 28.829 334 H VAL 49 HN VAL 49 22.083 7.864 27.891 335 HA VAL 49 HA VAL 49 20.721 9.911 26.341 336 HB VAL 49 HB VAL 49 23.693 9.401 26.428 337 HG11 VAL 49 HG11 VAL 49 22.241 11.166 24.959 338 HG12 VAL 49 HG12 VAL 49 23.878 11.494 25.526 339 HG13 VAL 49 HG13 VAL 49 22.492 12.113 26.425 340 HG21 VAL 49 HG21 VAL 49 23.422 11.276 28.296 341 HG22 VAL 49 HG22 VAL 49 23.316 9.567 28.712 342 HG23 VAL 49 HG23 VAL 49 21.844 10.516 28.506 343 H LEU 50 HN LEU 50 22.442 6.914 25.809 344 HA LEU 50 HA LEU 50 22.782 7.269 22.978 345 HB2 LEU 50 HB2 LEU 50 22.716 4.587 24.327 346 HB3 LEU 50 HB1 LEU 50 23.711 5.127 22.975 347 HG LEU 50 HG LEU 50 23.976 5.957 25.879 348 HD11 LEU 50 HD11 LEU 50 25.718 4.396 23.953 349 HD12 LEU 50 HD12 LEU 50 24.998 3.817 25.454 350 HD13 LEU 50 HD13 LEU 50 26.296 5.011 25.501 351 HD21 LEU 50 HD21 LEU 50 25.097 7.093 23.333 352 HD22 LEU 50 HD22 LEU 50 26.077 7.128 24.798 353 HD23 LEU 50 HD23 LEU 50 24.511 7.939 24.765 354 H TRP 51 HN TRP 51 20.098 6.759 24.871 355 HA TRP 51 HA TRP 51 18.663 4.886 23.243 356 HB2 TRP 51 HB2 TRP 51 17.690 4.926 25.308 357 HB3 TRP 51 HB1 TRP 51 18.083 6.624 25.575 358 HD1 TRP 51 HD1 TRP 51 16.481 8.453 24.406 359 HE1 TRP 51 HE1 TRP 51 13.996 8.318 23.727 360 HE3 TRP 51 HE3 TRP 51 15.829 3.389 24.450 361 HZ2 TRP 51 HZ2 TRP 51 11.998 6.324 23.263 362 HZ3 TRP 51 HZ3 TRP 51 13.628 2.400 23.887 363 HH2 TRP 51 HH2 TRP 51 11.713 3.859 23.295 364 H THR 52 HN THR 52 18.670 8.426 23.560 365 HA THR 52 HA THR 52 16.654 8.921 21.635 366 HB THR 52 HB THR 52 18.846 10.570 22.860 367 HG1 THR 52 HG1 THR 52 16.896 10.196 23.979 368 HG21 THR 52 HG21 THR 52 18.863 11.524 20.714 369 HG22 THR 52 HG22 THR 52 17.667 12.498 21.570 370 HG23 THR 52 HG23 THR 52 17.142 11.226 20.468 371 H VAL 53 HN VAL 53 20.178 8.664 21.409 372 HA VAL 53 HA VAL 53 20.328 9.396 18.651 373 HB VAL 53 HB VAL 53 22.306 7.738 20.227 374 HG11 VAL 53 HG11 VAL 53 23.904 8.882 18.648 375 HG12 VAL 53 HG12 VAL 53 22.506 9.518 17.782 376 HG13 VAL 53 HG13 VAL 53 22.781 7.777 17.855 377 HG21 VAL 53 HG21 VAL 53 22.588 9.552 21.538 378 HG22 VAL 53 HG22 VAL 53 21.432 10.481 20.583 379 HG23 VAL 53 HG23 VAL 53 23.129 10.429 20.107 380 H PHE 54 HN PHE 54 20.002 6.350 20.396 381 HA PHE 54 HA PHE 54 20.304 4.725 18.029 382 HB2 PHE 54 HB2 PHE 54 20.962 3.677 20.049 383 HB3 PHE 54 HB1 PHE 54 19.477 4.153 20.873 384 HD1 PHE 54 HD1 PHE 54 20.658 2.178 17.913 385 HD2 PHE 54 HD2 PHE 54 17.688 2.646 20.982 386 HE1 PHE 54 HE1 PHE 54 19.579 0.063 17.194 387 HE2 PHE 54 HE2 PHE 54 16.611 0.532 20.262 388 HZ PHE 54 HZ PHE 54 17.556 -0.759 18.367 389 H ARG 55 HN ARG 55 17.851 6.657 19.232 390 HA ARG 55 HA ARG 55 15.632 4.986 18.372 391 HB2 ARG 55 HB2 ARG 55 15.969 7.306 20.028 392 HB3 ARG 55 HB1 ARG 55 14.782 7.658 18.771 393 HG2 ARG 55 HG2 ARG 55 14.724 5.186 20.527 394 HG3 ARG 55 HG1 ARG 55 13.767 6.637 20.823 395 HD2 ARG 55 HD2 ARG 55 12.219 5.953 19.348 396 HD3 ARG 55 HD1 ARG 55 13.439 5.863 18.081 397 HE ARG 55 HE ARG 55 13.603 3.558 18.453 398 HH11 ARG 55 HH21 ARG 55 11.724 5.139 20.891 399 HH12 ARG 55 HH22 ARG 55 11.120 3.666 21.576 400 HH21 ARG 55 HH11 ARG 55 12.815 1.624 19.344 401 HH22 ARG 55 HH12 ARG 55 11.738 1.677 20.700 402 H LYS 56 HN LYS 56 16.683 8.288 17.500 403 HA LYS 56 HA LYS 56 15.196 8.569 15.182 404 HB2 LYS 56 HB2 LYS 56 16.680 10.339 14.577 405 HB3 LYS 56 HB1 LYS 56 16.610 10.330 16.339 406 HG2 LYS 56 HG2 LYS 56 18.673 8.750 16.187 407 HG3 LYS 56 HG1 LYS 56 18.823 9.364 14.540 408 HD2 LYS 56 HD2 LYS 56 18.776 11.699 15.487 409 HD3 LYS 56 HD1 LYS 56 18.850 10.986 17.099 410 HE2 LYS 56 HE2 LYS 56 21.103 11.150 16.808 411 HE3 LYS 56 HE1 LYS 56 20.900 9.676 15.862 412 HZ1 LYS 56 HZ1 LYS 56 20.280 11.879 14.244 413 HZ2 LYS 56 HZ2 LYS 56 21.551 10.765 14.068 414 HZ3 LYS 56 HZ3 LYS 56 21.775 12.177 14.985 415 H LYS 57 HN LYS 57 18.365 7.055 15.621 416 HA LYS 57 HA LYS 57 18.752 6.541 12.819 417 HB2 LYS 57 HB2 LYS 57 20.150 5.777 15.353 418 HB3 LYS 57 HB1 LYS 57 20.506 4.881 13.875 419 HG2 LYS 57 HG2 LYS 57 21.385 6.748 12.792 420 HG3 LYS 57 HG1 LYS 57 20.491 7.882 13.805 421 HD2 LYS 57 HD2 LYS 57 21.925 7.437 15.694 422 HD3 LYS 57 HD1 LYS 57 22.715 6.108 14.845 423 HE2 LYS 57 HE2 LYS 57 22.792 8.623 13.343 424 HE3 LYS 57 HE1 LYS 57 23.608 8.730 14.903 425 HZ1 LYS 57 HZ1 LYS 57 24.331 6.295 13.832 426 HZ2 LYS 57 HZ2 LYS 57 25.304 7.680 13.975 427 HZ3 LYS 57 HZ3 LYS 57 24.435 7.394 12.544 428 H GLY 58 HN GLY 58 16.471 5.612 12.682 429 HA2 GLY 58 HA2 GLY 58 15.955 3.014 13.757 430 HA3 GLY 58 HA1 GLY 58 15.042 3.810 12.480 431 H HIS 59 HN HIS 59 15.032 2.681 10.652 432 HA HIS 59 HA HIS 59 17.284 0.886 10.056 433 HB2 HIS 59 HB2 HIS 59 14.618 1.057 8.640 434 HB3 HIS 59 HB1 HIS 59 15.801 -0.248 8.551 435 HD2 HIS 59 HD2 HIS 59 16.138 -0.069 12.042 436 HE1 HIS 59 HE1 HIS 59 12.250 -1.696 11.800 437 HE2 HIS 59 HE2 HIS 59 14.240 -1.315 13.332 438 H HIS 60 HN HIS 60 15.072 2.665 7.916 439 HA HIS 60 HA HIS 60 16.926 3.041 5.855 440 HB2 HIS 60 HB2 HIS 60 14.343 4.355 6.611 441 HB3 HIS 60 HB1 HIS 60 15.321 5.057 5.322 442 HD2 HIS 60 HD2 HIS 60 15.488 3.483 2.958 443 HE1 HIS 60 HE1 HIS 60 12.801 0.487 4.234 444 HE2 HIS 60 HE2 HIS 60 14.103 1.386 2.248 445 H HIS 61 HN HIS 61 17.241 5.535 5.105 446 HA HIS 61 HA HIS 61 18.883 6.715 7.246 447 HB2 HIS 61 HB2 HIS 61 18.949 6.913 4.239 448 HB3 HIS 61 HB1 HIS 61 19.823 8.054 5.262 449 HD2 HIS 61 HD2 HIS 61 19.674 4.059 5.122 450 HE1 HIS 61 HE1 HIS 61 23.622 5.296 5.961 451 HE2 HIS 61 HE2 HIS 61 22.125 3.282 5.576 452 H HIS 62 HN HIS 62 18.941 9.075 7.414 453 HA HIS 62 HA HIS 62 17.745 10.967 8.008 454 HB2 HIS 62 HB2 HIS 62 17.149 12.252 6.134 455 HB3 HIS 62 HB1 HIS 62 18.369 11.147 5.502 456 HD2 HIS 62 HD2 HIS 62 17.419 9.289 3.608 457 HE1 HIS 62 HE1 HIS 62 13.386 10.538 3.682 458 HE2 HIS 62 HE2 HIS 62 15.069 9.054 2.491 459 H HIS 63 HN HIS 63 15.337 12.002 7.090 460 HA HIS 63 HA HIS 63 13.444 10.975 8.772 461 HB2 HIS 63 HB2 HIS 63 13.322 13.091 7.339 462 HB3 HIS 63 HB1 HIS 63 12.705 12.054 6.054 463 HD2 HIS 63 HD2 HIS 63 11.100 10.344 8.807 464 HE1 HIS 63 HE1 HIS 63 8.613 13.722 8.332 465 HE2 HIS 63 HE2 HIS 63 8.786 11.412 9.372 466 H HIS 64 HN HIS 64 13.144 8.802 8.909 467 HA HIS 64 HA HIS 64 13.081 6.968 6.799 468 HB2 HIS 64 HB2 HIS 64 11.901 5.477 8.379 469 HB3 HIS 64 HB1 HIS 64 13.279 6.275 9.137 470 HD2 HIS 64 HD2 HIS 64 12.614 7.685 11.428 471 HE1 HIS 64 HE1 HIS 64 8.436 7.821 10.836 472 HE2 HIS 64 HE2 HIS 64 10.315 8.397 12.443 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -2.484 10.560 24.194 2 H2 MET 1 HT2 MET 1 -3.679 10.193 25.346 3 H3 MET 1 HT3 MET 1 -3.647 9.372 23.858 4 HA MET 1 HA MET 1 -1.551 9.213 25.955 5 HB2 MET 1 HB2 MET 1 -4.061 7.986 25.866 6 HB3 MET 1 HB1 MET 1 -2.954 6.762 25.241 7 HG2 MET 1 HG2 MET 1 -1.467 7.211 27.231 8 HG3 MET 1 HG1 MET 1 -2.750 8.233 27.881 9 HE1 MET 1 HE1 MET 1 -1.159 5.027 28.159 10 HE2 MET 1 HE2 MET 1 -2.269 4.355 29.351 11 HE3 MET 1 HE3 MET 1 -1.642 5.988 29.564 12 H GLU 2 HN GLU 2 0.170 7.820 25.428 13 HA GLU 2 HA GLU 2 1.024 7.864 22.740 14 HB2 GLU 2 HB2 GLU 2 1.969 6.317 25.154 15 HB3 GLU 2 HB1 GLU 2 2.762 6.200 23.583 16 HG2 GLU 2 HG2 GLU 2 3.180 8.605 23.571 17 HG3 GLU 2 HG1 GLU 2 2.297 8.791 25.085 18 H GLU 3 HN GLU 3 -1.020 6.953 21.818 19 HA GLU 3 HA GLU 3 -1.237 4.034 22.026 20 HB2 GLU 3 HB2 GLU 3 -3.241 5.665 22.085 21 HB3 GLU 3 HB1 GLU 3 -2.994 5.807 20.344 22 HG2 GLU 3 HG2 GLU 3 -3.113 3.305 20.184 23 HG3 GLU 3 HG1 GLU 3 -3.539 3.261 21.895 24 H GLY 4 HN GLY 4 0.992 4.062 20.931 25 HA2 GLY 4 HA2 GLY 4 1.176 2.830 18.623 26 HA3 GLY 4 HA1 GLY 4 0.831 4.450 18.026 27 H GLY 5 HN GLY 5 2.272 5.928 19.954 28 HA2 GLY 5 HA2 GLY 5 4.379 6.888 20.040 29 HA3 GLY 5 HA1 GLY 5 4.836 5.280 20.592 30 H ASP 6 HN ASP 6 6.295 4.213 19.411 31 HA ASP 6 HA ASP 6 7.874 3.880 17.756 32 HB2 ASP 6 HB2 ASP 6 5.731 2.761 16.943 33 HB3 ASP 6 HB1 ASP 6 5.511 4.168 15.902 34 H PHE 7 HN PHE 7 9.094 5.778 17.887 35 HA PHE 7 HA PHE 7 8.296 8.115 16.348 36 HB2 PHE 7 HB2 PHE 7 10.421 7.458 18.318 37 HB3 PHE 7 HB1 PHE 7 10.797 8.706 17.129 38 HD1 PHE 7 HD2 PHE 7 9.096 10.612 16.807 39 HD2 PHE 7 HD1 PHE 7 9.058 7.950 20.178 40 HE1 PHE 7 HE2 PHE 7 7.724 12.241 18.078 41 HE2 PHE 7 HE1 PHE 7 7.686 9.579 21.449 42 HZ PHE 7 HZ PHE 7 7.019 11.725 20.400 43 H ASP 8 HN ASP 8 9.072 8.704 14.394 44 HA ASP 8 HA ASP 8 11.450 7.461 13.281 45 HB2 ASP 8 HB2 ASP 8 9.371 5.950 12.849 46 HB3 ASP 8 HB1 ASP 8 8.931 7.187 11.672 47 H ASN 9 HN ASN 9 11.090 10.087 13.937 48 HA ASN 9 HA ASN 9 11.126 11.354 11.288 49 HB2 ASN 9 HB2 ASN 9 8.870 11.603 12.663 50 HB3 ASN 9 HB1 ASN 9 9.795 12.847 13.504 51 HD21 ASN 9 HD21 ASN 9 7.493 13.046 11.470 52 HD22 ASN 9 HD22 ASN 9 8.089 14.102 10.282 53 H TYR 10 HN TYR 10 13.330 10.625 12.812 54 HA TYR 10 HA TYR 10 14.312 12.562 14.585 55 HB2 TYR 10 HB2 TYR 10 15.796 10.755 12.663 56 HB3 TYR 10 HB1 TYR 10 16.560 11.684 13.954 57 HD1 TYR 10 HD2 TYR 10 16.109 11.166 16.324 58 HD2 TYR 10 HD1 TYR 10 14.437 8.806 13.147 59 HE1 TYR 10 HE2 TYR 10 15.544 9.378 17.948 60 HE2 TYR 10 HE1 TYR 10 13.872 7.019 14.771 61 HH TYR 10 HH TYR 10 15.056 7.054 18.025 62 H TYR 11 HN TYR 11 13.569 14.561 13.604 63 HA TYR 11 HA TYR 11 14.376 15.525 11.102 64 HB2 TYR 11 HB2 TYR 11 13.514 17.552 11.773 65 HB3 TYR 11 HB1 TYR 11 12.744 16.496 12.956 66 HD1 TYR 11 HD2 TYR 11 14.798 15.853 14.862 67 HD2 TYR 11 HD1 TYR 11 14.097 19.565 12.818 68 HE1 TYR 11 HE2 TYR 11 15.927 17.078 16.699 69 HE2 TYR 11 HE1 TYR 11 15.225 20.790 14.655 70 HH TYR 11 HH TYR 11 16.964 19.127 17.175 71 H GLY 12 HN GLY 12 15.928 17.337 10.732 72 HA2 GLY 12 HA2 GLY 12 18.263 17.350 12.501 73 HA3 GLY 12 HA1 GLY 12 18.508 16.788 10.849 74 H ALA 13 HN ALA 13 19.467 18.343 9.706 75 HA ALA 13 HA ALA 13 18.196 20.870 9.284 76 HB1 ALA 13 HB1 ALA 13 19.679 22.345 10.339 77 HB2 ALA 13 HB2 ALA 13 20.913 21.103 10.550 78 HB3 ALA 13 HB3 ALA 13 19.458 21.078 11.545 79 H ASP 14 HN ASP 14 18.995 18.764 7.619 80 HA ASP 14 HA ASP 14 20.300 18.235 5.781 81 HB2 ASP 14 HB2 ASP 14 20.513 21.157 5.207 82 HB3 ASP 14 HB1 ASP 14 20.088 19.829 4.130 83 H ASN 15 HN ASN 15 21.858 18.429 8.112 84 HA ASN 15 HA ASN 15 24.428 19.155 6.918 85 HB2 ASN 15 HB2 ASN 15 23.290 20.386 9.416 86 HB3 ASN 15 HB1 ASN 15 25.032 20.233 9.194 87 HD21 ASN 15 HD21 ASN 15 22.642 22.456 8.823 88 HD22 ASN 15 HD22 ASN 15 23.248 23.324 7.497 89 H GLN 16 HN GLN 16 23.622 18.569 10.298 90 HA GLN 16 HA GLN 16 24.743 17.100 11.744 91 HB2 GLN 16 HB2 GLN 16 23.713 14.823 11.431 92 HB3 GLN 16 HB1 GLN 16 22.565 16.159 11.494 93 HG2 GLN 16 HG2 GLN 16 23.648 15.174 8.860 94 HG3 GLN 16 HG1 GLN 16 22.269 14.387 9.623 95 HE21 GLN 16 HE21 GLN 16 22.239 15.956 7.099 96 HE22 GLN 16 HE22 GLN 16 21.164 17.243 7.362 97 H SER 17 HN SER 17 26.659 17.736 9.927 98 HA SER 17 HA SER 17 27.814 15.904 8.286 99 HB2 SER 17 HB2 SER 17 29.073 17.757 10.299 100 HB3 SER 17 HB1 SER 17 30.052 16.747 9.237 101 HG SER 17 HG SER 17 29.531 17.980 7.607 102 H GLU 18 HN GLU 18 29.316 14.192 8.517 103 HA GLU 18 HA GLU 18 28.897 12.623 10.957 104 HB2 GLU 18 HB2 GLU 18 29.008 11.960 8.244 105 HB3 GLU 18 HB1 GLU 18 30.520 11.349 8.915 106 HG2 GLU 18 HG2 GLU 18 29.266 10.189 10.694 107 HG3 GLU 18 HG1 GLU 18 27.752 10.799 10.027 108 H CYS 19 HN CYS 19 30.684 11.576 12.018 109 HA CYS 19 HA CYS 19 33.382 12.464 11.462 110 HB2 CYS 19 HB2 CYS 19 31.783 13.571 13.739 111 HB3 CYS 19 HB1 CYS 19 33.509 13.282 13.959 112 HG CYS 19 HG CYS 19 32.751 14.906 11.442 113 H GLU 20 HN GLU 20 34.950 11.251 12.566 114 HA GLU 20 HA GLU 20 35.808 9.503 13.810 115 HB2 GLU 20 HB2 GLU 20 33.772 10.294 15.381 116 HB3 GLU 20 HB1 GLU 20 33.182 8.694 14.932 117 HG2 GLU 20 HG2 GLU 20 35.480 7.804 15.571 118 HG3 GLU 20 HG1 GLU 20 35.800 9.386 16.279 119 H TYR 21 HN TYR 21 32.925 9.206 11.909 120 HA TYR 21 HA TYR 21 33.003 6.340 11.660 121 HB2 TYR 21 HB2 TYR 21 31.040 8.093 11.258 122 HB3 TYR 21 HB1 TYR 21 31.665 8.043 9.609 123 HD1 TYR 21 HD2 TYR 21 30.360 5.937 12.388 124 HD2 TYR 21 HD1 TYR 21 31.297 6.158 8.202 125 HE1 TYR 21 HE2 TYR 21 29.209 3.771 12.016 126 HE2 TYR 21 HE1 TYR 21 30.146 3.993 7.830 127 HH TYR 21 HH TYR 21 28.199 2.699 9.135 128 H THR 22 HN THR 22 35.498 7.741 11.070 129 HA THR 22 HA THR 22 36.053 6.480 8.511 130 HB THR 22 HB THR 22 37.105 9.219 8.551 131 HG1 THR 22 HG1 THR 22 35.210 9.953 9.185 132 HG21 THR 22 HG21 THR 22 36.585 9.093 6.215 133 HG22 THR 22 HG22 THR 22 35.458 7.762 6.474 134 HG23 THR 22 HG23 THR 22 37.190 7.503 6.678 135 H ASP 23 HN ASP 23 36.828 6.477 11.464 136 HA ASP 23 HA ASP 23 39.730 6.389 10.984 137 HB2 ASP 23 HB2 ASP 23 40.287 7.758 12.746 138 HB3 ASP 23 HB1 ASP 23 38.785 8.530 12.241 139 H TRP 24 HN TRP 24 37.394 4.470 11.364 140 HA TRP 24 HA TRP 24 37.655 3.184 13.865 141 HB2 TRP 24 HB2 TRP 24 36.818 1.156 12.346 142 HB3 TRP 24 HB1 TRP 24 35.749 2.475 12.813 143 HD1 TRP 24 HD1 TRP 24 38.458 2.952 10.158 144 HE1 TRP 24 HE1 TRP 24 37.320 3.397 7.891 145 HE3 TRP 24 HE3 TRP 24 33.587 2.089 11.430 146 HZ2 TRP 24 HZ2 TRP 24 34.692 3.392 6.762 147 HZ3 TRP 24 HZ3 TRP 24 31.788 2.317 9.740 148 HH2 TRP 24 HH2 TRP 24 32.334 2.967 7.410 149 H LYS 25 HN LYS 25 38.340 1.164 11.122 150 HA LYS 25 HA LYS 25 40.601 -0.008 12.431 151 HB2 LYS 25 HB2 LYS 25 39.874 -0.385 9.529 152 HB3 LYS 25 HB1 LYS 25 40.671 -1.523 10.615 153 HG2 LYS 25 HG2 LYS 25 38.614 -2.410 10.936 154 HG3 LYS 25 HG1 LYS 25 38.292 -0.987 11.927 155 HD2 LYS 25 HD2 LYS 25 37.569 0.198 9.802 156 HD3 LYS 25 HD1 LYS 25 37.661 -1.364 8.989 157 HE2 LYS 25 HE2 LYS 25 35.994 -0.856 11.468 158 HE3 LYS 25 HE1 LYS 25 35.356 -0.781 9.826 159 HZ1 LYS 25 HZ1 LYS 25 35.264 -2.984 11.198 160 HZ2 LYS 25 HZ2 LYS 25 36.859 -3.162 10.641 161 HZ3 LYS 25 HZ3 LYS 25 35.579 -3.017 9.532 162 H SER 26 HN SER 26 40.929 2.813 11.960 163 HA SER 26 HA SER 26 42.755 3.128 9.738 164 HB2 SER 26 HB2 SER 26 41.912 5.200 10.040 165 HB3 SER 26 HB1 SER 26 41.436 4.859 11.702 166 HG SER 26 HG SER 26 43.412 5.428 12.395 167 H SER 27 HN SER 27 43.085 1.536 12.534 168 HA SER 27 HA SER 27 45.974 2.108 12.668 169 HB2 SER 27 HB2 SER 27 44.707 3.247 14.549 170 HB3 SER 27 HB1 SER 27 44.281 1.638 15.127 171 HG SER 27 HG SER 27 46.891 1.710 14.578 172 H GLY 28 HN GLY 28 43.694 -0.019 14.400 173 HA2 GLY 28 HA2 GLY 28 44.506 -2.393 13.047 174 HA3 GLY 28 HA1 GLY 28 45.335 -2.241 14.594 175 H ALA 29 HN ALA 29 42.144 -0.924 14.160 176 HA ALA 29 HA ALA 29 40.222 -1.324 15.386 177 HB1 ALA 29 HB1 ALA 29 39.177 -3.387 14.818 178 HB2 ALA 29 HB2 ALA 29 40.730 -4.189 14.580 179 HB3 ALA 29 HB3 ALA 29 40.188 -2.960 13.436 180 H LEU 30 HN LEU 30 42.586 -1.338 16.986 181 HA LEU 30 HA LEU 30 41.762 -3.244 19.093 182 HB2 LEU 30 HB2 LEU 30 44.496 -2.623 18.033 183 HB3 LEU 30 HB1 LEU 30 44.302 -3.067 19.729 184 HG LEU 30 HG LEU 30 42.918 -4.750 17.686 185 HD11 LEU 30 HD11 LEU 30 45.892 -4.870 18.278 186 HD12 LEU 30 HD12 LEU 30 45.157 -4.477 16.723 187 HD13 LEU 30 HD13 LEU 30 44.986 -6.099 17.394 188 HD21 LEU 30 HD21 LEU 30 42.784 -5.038 20.212 189 HD22 LEU 30 HD22 LEU 30 44.489 -5.488 20.169 190 HD23 LEU 30 HD23 LEU 30 43.295 -6.472 19.321 191 H ILE 31 HN ILE 31 42.892 -0.072 18.193 192 HA ILE 31 HA ILE 31 43.116 0.830 20.939 193 HB ILE 31 HB ILE 31 43.579 2.060 18.253 194 HG12 ILE 31 HG12 ILE 31 45.236 0.799 19.894 195 HG13 ILE 31 HG11 ILE 31 45.768 2.221 19.000 196 HG21 ILE 31 HG21 ILE 31 44.034 4.226 19.591 197 HG22 ILE 31 HG22 ILE 31 42.983 3.528 20.823 198 HG23 ILE 31 HG23 ILE 31 42.357 3.845 19.205 199 HD11 ILE 31 HD11 ILE 31 46.266 2.141 21.541 200 HD12 ILE 31 HD12 ILE 31 44.549 2.481 21.750 201 HD13 ILE 31 HD13 ILE 31 45.577 3.627 20.889 202 HA PRO 32 HA PRO 32 39.073 3.143 19.329 203 HB2 PRO 32 HB2 PRO 32 37.783 0.751 18.124 204 HB3 PRO 32 HB1 PRO 32 37.765 2.439 17.578 205 HG2 PRO 32 HG2 PRO 32 39.198 0.579 16.319 206 HG3 PRO 32 HG1 PRO 32 39.773 2.248 16.486 207 HD2 PRO 32 HD2 PRO 32 40.639 -0.204 17.970 208 HD3 PRO 32 HD1 PRO 32 41.601 1.194 17.441 209 H ALA 33 HN ALA 33 39.349 -0.210 20.351 210 HA ALA 33 HA ALA 33 36.943 -0.363 21.845 211 HB1 ALA 33 HB1 ALA 33 37.811 -2.463 21.492 212 HB2 ALA 33 HB2 ALA 33 38.441 -2.161 23.112 213 HB3 ALA 33 HB3 ALA 33 39.478 -1.927 21.705 214 H ILE 34 HN ILE 34 40.216 0.695 22.631 215 HA ILE 34 HA ILE 34 39.563 1.104 25.433 216 HB ILE 34 HB ILE 34 42.030 1.723 23.795 217 HG12 ILE 34 HG12 ILE 34 42.057 -0.158 26.084 218 HG13 ILE 34 HG11 ILE 34 41.120 -0.687 24.687 219 HG21 ILE 34 HG21 ILE 34 42.958 1.927 26.253 220 HG22 ILE 34 HG22 ILE 34 41.284 2.320 26.643 221 HG23 ILE 34 HG23 ILE 34 42.179 3.315 25.494 222 HD11 ILE 34 HD11 ILE 34 43.623 -1.306 24.721 223 HD12 ILE 34 HD12 ILE 34 43.919 0.400 24.386 224 HD13 ILE 34 HD13 ILE 34 42.995 -0.575 23.244 225 H TYR 35 HN TYR 35 38.959 2.754 22.618 226 HA TYR 35 HA TYR 35 39.343 5.438 23.690 227 HB2 TYR 35 HB2 TYR 35 39.562 4.575 21.189 228 HB3 TYR 35 HB1 TYR 35 37.833 4.923 21.167 229 HD1 TYR 35 HD1 TYR 35 41.206 6.366 21.613 230 HD2 TYR 35 HD2 TYR 35 36.998 7.192 21.365 231 HE1 TYR 35 HE1 TYR 35 41.696 8.785 21.371 232 HE2 TYR 35 HE2 TYR 35 37.487 9.612 21.122 233 HH TYR 35 HH TYR 35 39.673 11.132 21.925 234 H MET 36 HN MET 36 36.586 3.556 22.412 235 HA MET 36 HA MET 36 34.642 5.373 23.469 236 HB2 MET 36 HB2 MET 36 34.372 2.544 22.428 237 HB3 MET 36 HB1 MET 36 33.017 3.602 22.824 238 HG2 MET 36 HG2 MET 36 34.809 5.075 21.162 239 HG3 MET 36 HG1 MET 36 34.532 3.509 20.400 240 HE1 MET 36 HE1 MET 36 33.402 6.950 21.022 241 HE2 MET 36 HE2 MET 36 32.078 7.020 19.863 242 HE3 MET 36 HE3 MET 36 33.667 6.464 19.342 243 H LEU 37 HN LEU 37 36.697 3.668 25.159 244 HA LEU 37 HA LEU 37 34.755 2.636 27.126 245 HB2 LEU 37 HB2 LEU 37 37.457 1.840 26.285 246 HB3 LEU 37 HB1 LEU 37 37.254 1.906 28.035 247 HG LEU 37 HG LEU 37 36.690 -0.330 27.026 248 HD11 LEU 37 HD11 LEU 37 34.065 0.252 27.999 249 HD12 LEU 37 HD12 LEU 37 35.216 1.214 28.926 250 HD13 LEU 37 HD13 LEU 37 35.392 -0.538 28.849 251 HD21 LEU 37 HD21 LEU 37 35.452 1.159 25.082 252 HD22 LEU 37 HD22 LEU 37 34.078 0.652 26.066 253 HD23 LEU 37 HD23 LEU 37 35.153 -0.557 25.364 254 H VAL 38 HN VAL 38 36.144 5.435 26.451 255 HA VAL 38 HA VAL 38 36.394 6.183 29.289 256 HB VAL 38 HB VAL 38 38.255 7.178 27.124 257 HG11 VAL 38 HG11 VAL 38 37.957 8.741 28.967 258 HG12 VAL 38 HG12 VAL 38 39.540 7.978 29.120 259 HG13 VAL 38 HG13 VAL 38 38.203 7.451 30.144 260 HG21 VAL 38 HG21 VAL 38 39.863 5.766 28.739 261 HG22 VAL 38 HG22 VAL 38 39.064 5.028 27.350 262 HG23 VAL 38 HG23 VAL 38 38.384 4.831 28.966 263 H PHE 39 HN PHE 39 35.402 6.900 26.056 264 HA PHE 39 HA PHE 39 34.909 9.699 26.452 265 HB2 PHE 39 HB2 PHE 39 35.102 9.208 24.203 266 HB3 PHE 39 HB1 PHE 39 34.233 7.683 24.350 267 HD1 PHE 39 HD2 PHE 39 33.381 11.174 25.423 268 HD2 PHE 39 HD1 PHE 39 32.313 7.783 23.011 269 HE1 PHE 39 HE2 PHE 39 31.283 12.312 24.750 270 HE2 PHE 39 HE1 PHE 39 30.216 8.921 22.338 271 HZ PHE 39 HZ PHE 39 29.701 11.186 23.207 272 H LEU 40 HN LEU 40 32.963 6.752 26.700 273 HA LEU 40 HA LEU 40 30.570 8.266 27.374 274 HB2 LEU 40 HB2 LEU 40 30.025 5.625 27.971 275 HB3 LEU 40 HB1 LEU 40 29.691 6.413 26.431 276 HG LEU 40 HG LEU 40 32.351 5.110 27.063 277 HD11 LEU 40 HD11 LEU 40 31.132 3.449 25.270 278 HD12 LEU 40 HD12 LEU 40 29.762 3.930 26.271 279 HD13 LEU 40 HD13 LEU 40 31.170 3.167 27.011 280 HD21 LEU 40 HD21 LEU 40 31.495 5.161 24.293 281 HD22 LEU 40 HD22 LEU 40 32.947 5.851 25.016 282 HD23 LEU 40 HD23 LEU 40 31.456 6.788 24.973 283 H LEU 41 HN LEU 41 32.727 5.933 28.992 284 HA LEU 41 HA LEU 41 31.585 5.821 31.487 285 HB2 LEU 41 HB2 LEU 41 34.302 5.500 30.407 286 HB3 LEU 41 HB1 LEU 41 34.259 5.941 32.112 287 HG LEU 41 HG LEU 41 34.217 3.457 31.697 288 HD11 LEU 41 HD11 LEU 41 32.588 5.021 33.445 289 HD12 LEU 41 HD12 LEU 41 33.204 3.389 33.702 290 HD13 LEU 41 HD13 LEU 41 31.638 3.628 32.928 291 HD21 LEU 41 HD21 LEU 41 32.452 4.081 29.699 292 HD22 LEU 41 HD22 LEU 41 31.353 3.545 30.971 293 HD23 LEU 41 HD23 LEU 41 32.628 2.471 30.396 294 H GLY 42 HN GLY 42 33.956 8.235 30.364 295 HA2 GLY 42 HA2 GLY 42 33.813 9.791 32.765 296 HA3 GLY 42 HA1 GLY 42 34.568 10.279 31.250 297 H THR 43 HN THR 43 31.661 9.365 30.242 298 HA THR 43 HA THR 43 30.259 11.855 30.951 299 HB THR 43 HB THR 43 30.567 10.865 28.108 300 HG1 THR 43 HG1 THR 43 32.189 12.198 27.938 301 HG21 THR 43 HG21 THR 43 28.694 12.588 29.365 302 HG22 THR 43 HG22 THR 43 28.894 12.286 27.639 303 HG23 THR 43 HG23 THR 43 29.772 13.606 28.411 304 H THR 44 HN THR 44 28.733 10.631 28.354 305 HA THR 44 HA THR 44 26.806 9.424 28.040 306 HB THR 44 HB THR 44 27.739 7.696 30.336 307 HG1 THR 44 HG1 THR 44 29.384 8.081 28.736 308 HG21 THR 44 HG21 THR 44 26.118 7.145 27.834 309 HG22 THR 44 HG22 THR 44 25.478 7.259 29.473 310 HG23 THR 44 HG23 THR 44 26.571 5.944 29.044 311 H GLY 45 HN GLY 45 27.185 8.933 31.539 312 HA2 GLY 45 HA2 GLY 45 24.967 10.768 32.078 313 HA3 GLY 45 HA1 GLY 45 24.736 9.077 32.515 314 H ASN 46 HN ASN 46 27.385 11.453 32.792 315 HA ASN 46 HA ASN 46 27.359 11.212 35.688 316 HB2 ASN 46 HB2 ASN 46 29.055 9.764 35.868 317 HB3 ASN 46 HB1 ASN 46 29.104 9.606 34.113 318 HD21 ASN 46 HD21 ASN 46 30.528 11.160 32.923 319 HD22 ASN 46 HD22 ASN 46 31.851 11.858 33.726 320 H GLY 47 HN GLY 47 27.584 13.207 36.421 321 HA2 GLY 47 HA2 GLY 47 28.410 15.345 36.714 322 HA3 GLY 47 HA1 GLY 47 29.682 14.957 35.559 323 H LEU 48 HN LEU 48 27.320 14.092 33.728 324 HA LEU 48 HA LEU 48 26.952 16.765 32.565 325 HB2 LEU 48 HB2 LEU 48 27.889 14.924 31.151 326 HB3 LEU 48 HB1 LEU 48 26.371 14.053 31.349 327 HG LEU 48 HG LEU 48 25.160 15.990 30.344 328 HD11 LEU 48 HD11 LEU 48 27.934 17.103 30.351 329 HD12 LEU 48 HD12 LEU 48 26.394 17.923 30.602 330 HD13 LEU 48 HD13 LEU 48 26.904 17.485 28.972 331 HD21 LEU 48 HD21 LEU 48 25.956 14.050 28.979 332 HD22 LEU 48 HD22 LEU 48 27.424 14.956 28.611 333 HD23 LEU 48 HD23 LEU 48 25.859 15.549 28.053 334 H VAL 49 HN VAL 49 25.121 13.894 33.559 335 HA VAL 49 HA VAL 49 22.561 14.659 32.823 336 HB VAL 49 HB VAL 49 23.558 13.082 35.195 337 HG11 VAL 49 HG11 VAL 49 21.478 13.856 35.990 338 HG12 VAL 49 HG12 VAL 49 21.072 12.320 35.224 339 HG13 VAL 49 HG13 VAL 49 20.755 13.836 34.382 340 HG21 VAL 49 HG21 VAL 49 21.864 11.864 33.113 341 HG22 VAL 49 HG22 VAL 49 23.375 11.284 33.813 342 HG23 VAL 49 HG23 VAL 49 23.407 12.477 32.514 343 H LEU 50 HN LEU 50 24.553 15.798 35.464 344 HA LEU 50 HA LEU 50 22.406 17.168 36.824 345 HB2 LEU 50 HB2 LEU 50 25.407 17.468 37.108 346 HB3 LEU 50 HB1 LEU 50 24.193 18.107 38.218 347 HG LEU 50 HG LEU 50 23.593 15.359 37.851 348 HD11 LEU 50 HD11 LEU 50 25.666 14.268 38.521 349 HD12 LEU 50 HD12 LEU 50 26.503 15.820 38.573 350 HD13 LEU 50 HD13 LEU 50 25.951 15.167 37.030 351 HD21 LEU 50 HD21 LEU 50 24.060 15.267 40.261 352 HD22 LEU 50 HD22 LEU 50 23.206 16.760 39.871 353 HD23 LEU 50 HD23 LEU 50 24.944 16.789 40.164 354 H TRP 51 HN TRP 51 25.105 18.109 34.711 355 HA TRP 51 HA TRP 51 24.978 20.825 34.713 356 HB2 TRP 51 HB2 TRP 51 26.437 20.447 33.056 357 HB3 TRP 51 HB1 TRP 51 25.826 18.807 32.841 358 HD1 TRP 51 HD1 TRP 51 23.644 18.538 31.219 359 HE1 TRP 51 HE1 TRP 51 22.961 19.901 29.140 360 HE3 TRP 51 HE3 TRP 51 26.488 22.719 31.932 361 HZ2 TRP 51 HZ2 TRP 51 23.544 22.430 27.939 362 HZ3 TRP 51 HZ3 TRP 51 26.405 24.588 30.307 363 HH2 TRP 51 HH2 TRP 51 24.938 24.449 28.313 364 H THR 52 HN THR 52 22.673 18.617 33.221 365 HA THR 52 HA THR 52 21.178 20.589 31.817 366 HB THR 52 HB THR 52 20.575 17.784 32.737 367 HG1 THR 52 HG1 THR 52 20.400 18.576 30.108 368 HG21 THR 52 HG21 THR 52 18.542 18.183 31.104 369 HG22 THR 52 HG22 THR 52 18.746 19.865 31.595 370 HG23 THR 52 HG23 THR 52 18.411 18.627 32.806 371 H VAL 53 HN VAL 53 20.674 18.977 34.956 372 HA VAL 53 HA VAL 53 18.310 20.364 35.640 373 HB VAL 53 HB VAL 53 20.394 19.221 37.514 374 HG11 VAL 53 HG11 VAL 53 18.304 18.885 38.933 375 HG12 VAL 53 HG12 VAL 53 17.465 19.934 37.790 376 HG13 VAL 53 HG13 VAL 53 18.820 20.559 38.729 377 HG21 VAL 53 HG21 VAL 53 19.861 17.246 36.545 378 HG22 VAL 53 HG22 VAL 53 18.547 17.973 35.622 379 HG23 VAL 53 HG23 VAL 53 18.269 17.436 37.278 380 H PHE 54 HN PHE 54 21.720 21.123 36.049 381 HA PHE 54 HA PHE 54 21.233 23.412 37.739 382 HB2 PHE 54 HB2 PHE 54 23.336 22.349 38.040 383 HB3 PHE 54 HB1 PHE 54 23.673 22.357 36.309 384 HD1 PHE 54 HD1 PHE 54 23.218 24.555 39.282 385 HD2 PHE 54 HD2 PHE 54 24.679 24.236 35.255 386 HE1 PHE 54 HE1 PHE 54 24.307 26.772 39.501 387 HE2 PHE 54 HE2 PHE 54 25.768 26.453 35.475 388 HZ PHE 54 HZ PHE 54 25.582 27.722 37.597 389 H ARG 55 HN ARG 55 20.863 22.807 34.464 390 HA ARG 55 HA ARG 55 21.445 25.580 33.672 391 HB2 ARG 55 HB2 ARG 55 20.961 23.035 32.135 392 HB3 ARG 55 HB1 ARG 55 20.875 24.612 31.350 393 HG2 ARG 55 HG2 ARG 55 23.248 24.197 33.067 394 HG3 ARG 55 HG1 ARG 55 23.181 23.186 31.623 395 HD2 ARG 55 HD2 ARG 55 24.297 25.501 31.392 396 HD3 ARG 55 HD1 ARG 55 23.104 25.051 30.176 397 HE ARG 55 HE ARG 55 21.607 26.356 32.025 398 HH11 ARG 55 HH21 ARG 55 24.582 27.059 30.405 399 HH12 ARG 55 HH22 ARG 55 24.346 28.775 30.423 400 HH21 ARG 55 HH11 ARG 55 21.290 28.605 32.053 401 HH22 ARG 55 HH12 ARG 55 22.483 29.650 31.356 402 H LYS 56 HN LYS 56 18.838 23.158 33.414 403 HA LYS 56 HA LYS 56 16.826 24.579 32.272 404 HB2 LYS 56 HB2 LYS 56 16.816 22.592 34.522 405 HB3 LYS 56 HB1 LYS 56 15.309 23.353 34.015 406 HG2 LYS 56 HG2 LYS 56 17.130 22.176 31.937 407 HG3 LYS 56 HG1 LYS 56 16.090 21.107 32.877 408 HD2 LYS 56 HD2 LYS 56 14.797 23.536 31.750 409 HD3 LYS 56 HD1 LYS 56 15.277 22.298 30.592 410 HE2 LYS 56 HE2 LYS 56 12.966 21.932 31.409 411 HE3 LYS 56 HE1 LYS 56 14.033 20.601 31.856 412 HZ1 LYS 56 HZ1 LYS 56 12.758 21.201 33.755 413 HZ2 LYS 56 HZ2 LYS 56 13.147 22.846 33.583 414 HZ3 LYS 56 HZ3 LYS 56 14.347 21.728 34.027 415 H LYS 57 HN LYS 57 17.614 24.646 35.751 416 HA LYS 57 HA LYS 57 15.746 26.777 36.276 417 HB2 LYS 57 HB2 LYS 57 17.939 25.555 37.967 418 HB3 LYS 57 HB1 LYS 57 16.783 26.756 38.544 419 HG2 LYS 57 HG2 LYS 57 15.079 25.251 38.652 420 HG3 LYS 57 HG1 LYS 57 15.575 24.440 37.166 421 HD2 LYS 57 HD2 LYS 57 17.276 23.193 38.312 422 HD3 LYS 57 HD1 LYS 57 17.085 24.160 39.774 423 HE2 LYS 57 HE2 LYS 57 14.560 22.974 38.924 424 HE3 LYS 57 HE1 LYS 57 15.794 21.750 39.225 425 HZ1 LYS 57 HZ1 LYS 57 14.983 23.913 41.093 426 HZ2 LYS 57 HZ2 LYS 57 16.216 22.781 41.382 427 HZ3 LYS 57 HZ3 LYS 57 14.603 22.267 41.245 428 H GLY 58 HN GLY 58 17.487 27.523 34.220 429 HA2 GLY 58 HA2 GLY 58 19.534 29.256 35.360 430 HA3 GLY 58 HA1 GLY 58 19.196 29.021 33.648 431 H HIS 59 HN HIS 59 17.949 30.546 36.596 432 HA HIS 59 HA HIS 59 16.042 32.181 35.204 433 HB2 HIS 59 HB2 HIS 59 16.948 31.807 37.987 434 HB3 HIS 59 HB1 HIS 59 16.407 33.440 37.593 435 HD2 HIS 59 HD2 HIS 59 14.702 30.226 36.037 436 HE1 HIS 59 HE1 HIS 59 11.889 32.189 38.499 437 HE2 HIS 59 HE2 HIS 59 12.220 30.289 36.847 438 H HIS 60 HN HIS 60 19.168 32.841 36.793 439 HA HIS 60 HA HIS 60 19.348 35.558 36.147 440 HB2 HIS 60 HB2 HIS 60 21.129 33.480 37.129 441 HB3 HIS 60 HB1 HIS 60 21.964 34.607 36.060 442 HD2 HIS 60 HD2 HIS 60 22.739 36.903 37.376 443 HE1 HIS 60 HE1 HIS 60 19.966 36.747 40.555 444 HE2 HIS 60 HE2 HIS 60 21.930 38.033 39.587 445 H HIS 61 HN HIS 61 19.628 36.602 34.285 446 HA HIS 61 HA HIS 61 19.941 35.145 31.820 447 HB2 HIS 61 HB2 HIS 61 19.283 37.891 32.636 448 HB3 HIS 61 HB1 HIS 61 20.229 37.788 31.152 449 HD2 HIS 61 HD2 HIS 61 17.014 35.794 32.452 450 HE1 HIS 61 HE1 HIS 61 16.584 36.640 28.338 451 HE2 HIS 61 HE2 HIS 61 15.478 35.560 30.353 452 H HIS 62 HN HIS 62 21.870 34.386 31.228 453 HA HIS 62 HA HIS 62 24.358 35.151 32.202 454 HB2 HIS 62 HB2 HIS 62 23.404 33.679 29.796 455 HB3 HIS 62 HB1 HIS 62 25.077 34.236 29.795 456 HD2 HIS 62 HD2 HIS 62 26.654 33.181 32.022 457 HE1 HIS 62 HE1 HIS 62 23.944 30.047 32.835 458 HE2 HIS 62 HE2 HIS 62 26.276 30.938 33.305 459 H HIS 63 HN HIS 63 24.478 37.425 32.268 460 HA HIS 63 HA HIS 63 24.064 39.186 30.145 461 HB2 HIS 63 HB2 HIS 63 24.625 39.622 32.669 462 HB3 HIS 63 HB1 HIS 63 26.294 39.648 32.097 463 HD2 HIS 63 HD2 HIS 63 23.493 42.125 32.493 464 HE1 HIS 63 HE1 HIS 63 25.807 43.630 29.299 465 HE2 HIS 63 HE2 HIS 63 23.965 44.183 30.957 466 H HIS 64 HN HIS 64 25.664 40.346 28.852 467 HA HIS 64 HA HIS 64 27.252 38.659 27.289 468 HB2 HIS 64 HB2 HIS 64 26.456 40.843 26.505 469 HB3 HIS 64 HB1 HIS 64 27.499 41.652 27.675 470 HD2 HIS 64 HD2 HIS 64 30.246 41.714 26.982 471 HE1 HIS 64 HE1 HIS 64 29.816 39.810 23.238 472 HE2 HIS 64 HE2 HIS 64 31.430 41.063 24.746 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 8.081 -46.010 24.677 2 H2 MET 1 HT2 MET 1 8.447 -47.047 25.972 3 H3 MET 1 HT3 MET 1 6.895 -47.063 25.279 4 HA MET 1 HA MET 1 7.834 -48.922 24.334 5 HB2 MET 1 HB2 MET 1 6.982 -47.264 22.641 6 HB3 MET 1 HB1 MET 1 8.641 -46.702 22.435 7 HG2 MET 1 HG2 MET 1 8.762 -49.513 22.252 8 HG3 MET 1 HG1 MET 1 7.362 -49.030 21.292 9 HE1 MET 1 HE1 MET 1 7.653 -48.652 18.849 10 HE2 MET 1 HE2 MET 1 8.554 -47.223 18.350 11 HE3 MET 1 HE3 MET 1 7.366 -47.099 19.646 12 H GLU 2 HN GLU 2 9.545 -49.799 25.451 13 HA GLU 2 HA GLU 2 12.216 -48.644 25.114 14 HB2 GLU 2 HB2 GLU 2 11.340 -51.026 26.764 15 HB3 GLU 2 HB1 GLU 2 12.906 -50.217 26.834 16 HG2 GLU 2 HG2 GLU 2 11.277 -48.093 27.222 17 HG3 GLU 2 HG1 GLU 2 10.285 -49.365 27.936 18 H GLU 3 HN GLU 3 11.320 -49.533 22.719 19 HA GLU 3 HA GLU 3 13.034 -51.880 22.260 20 HB2 GLU 3 HB2 GLU 3 10.130 -51.609 21.594 21 HB3 GLU 3 HB1 GLU 3 11.178 -52.499 20.489 22 HG2 GLU 3 HG2 GLU 3 11.689 -54.133 22.073 23 HG3 GLU 3 HG1 GLU 3 11.308 -53.076 23.432 24 H GLY 4 HN GLY 4 14.386 -49.960 21.621 25 HA2 GLY 4 HA2 GLY 4 15.498 -49.363 19.575 26 HA3 GLY 4 HA1 GLY 4 13.935 -49.385 18.763 27 H GLY 5 HN GLY 5 14.520 -47.889 21.890 28 HA2 GLY 5 HA2 GLY 5 13.283 -45.454 21.203 29 HA3 GLY 5 HA1 GLY 5 14.309 -45.713 22.611 30 H ASP 6 HN ASP 6 15.494 -43.843 22.526 31 HA ASP 6 HA ASP 6 16.868 -43.145 20.031 32 HB2 ASP 6 HB2 ASP 6 15.953 -41.698 22.386 33 HB3 ASP 6 HB1 ASP 6 17.628 -41.317 21.985 34 H PHE 7 HN PHE 7 18.531 -44.605 19.832 35 HA PHE 7 HA PHE 7 20.784 -44.219 21.627 36 HB2 PHE 7 HB2 PHE 7 19.182 -46.205 22.393 37 HB3 PHE 7 HB1 PHE 7 20.079 -47.076 21.149 38 HD1 PHE 7 HD2 PHE 7 20.418 -45.105 24.280 39 HD2 PHE 7 HD1 PHE 7 22.371 -47.689 21.459 40 HE1 PHE 7 HE2 PHE 7 22.339 -45.345 25.830 41 HE2 PHE 7 HE1 PHE 7 24.291 -47.931 23.009 42 HZ PHE 7 HZ PHE 7 24.276 -46.758 25.195 43 H ASP 8 HN ASP 8 20.446 -43.473 18.966 44 HA ASP 8 HA ASP 8 22.584 -45.028 17.722 45 HB2 ASP 8 HB2 ASP 8 19.829 -44.693 16.542 46 HB3 ASP 8 HB1 ASP 8 21.243 -45.015 15.541 47 H ASN 9 HN ASN 9 22.994 -42.607 18.755 48 HA ASN 9 HA ASN 9 23.518 -40.399 18.329 49 HB2 ASN 9 HB2 ASN 9 24.981 -40.127 16.485 50 HB3 ASN 9 HB1 ASN 9 25.179 -41.800 17.002 51 HD21 ASN 9 HD21 ASN 9 24.333 -43.492 15.603 52 HD22 ASN 9 HD22 ASN 9 23.832 -43.162 14.016 53 H TYR 10 HN TYR 10 20.785 -41.058 17.873 54 HA TYR 10 HA TYR 10 19.719 -40.135 15.458 55 HB2 TYR 10 HB2 TYR 10 18.670 -41.092 17.796 56 HB3 TYR 10 HB1 TYR 10 18.183 -39.398 17.857 57 HD1 TYR 10 HD2 TYR 10 17.788 -38.677 15.070 58 HD2 TYR 10 HD1 TYR 10 16.802 -42.332 17.101 59 HE1 TYR 10 HE2 TYR 10 16.007 -39.125 13.402 60 HE2 TYR 10 HE1 TYR 10 15.022 -42.779 15.433 61 HH TYR 10 HH TYR 10 13.596 -41.412 13.857 62 H TYR 11 HN TYR 11 20.203 -38.317 18.494 63 HA TYR 11 HA TYR 11 19.410 -35.810 17.533 64 HB2 TYR 11 HB2 TYR 11 21.143 -36.750 19.780 65 HB3 TYR 11 HB1 TYR 11 21.144 -35.033 19.373 66 HD1 TYR 11 HD2 TYR 11 19.052 -33.708 19.484 67 HD2 TYR 11 HD1 TYR 11 19.198 -37.814 20.740 68 HE1 TYR 11 HE2 TYR 11 16.890 -33.424 20.668 69 HE2 TYR 11 HE1 TYR 11 17.038 -37.530 21.922 70 HH TYR 11 HH TYR 11 15.150 -36.137 21.991 71 H GLY 12 HN GLY 12 20.697 -33.960 16.946 72 HA2 GLY 12 HA2 GLY 12 23.362 -34.579 15.845 73 HA3 GLY 12 HA1 GLY 12 22.145 -33.839 14.810 74 H ALA 13 HN ALA 13 21.043 -31.861 15.987 75 HA ALA 13 HA ALA 13 23.086 -29.901 16.330 76 HB1 ALA 13 HB1 ALA 13 20.099 -29.780 16.801 77 HB2 ALA 13 HB2 ALA 13 20.961 -29.274 15.349 78 HB3 ALA 13 HB3 ALA 13 21.173 -28.382 16.856 79 H ASP 14 HN ASP 14 24.175 -31.124 18.127 80 HA ASP 14 HA ASP 14 23.155 -30.132 20.708 81 HB2 ASP 14 HB2 ASP 14 22.653 -32.613 20.334 82 HB3 ASP 14 HB1 ASP 14 24.396 -32.866 20.428 83 H ASN 15 HN ASN 15 25.002 -28.717 19.403 84 HA ASN 15 HA ASN 15 27.466 -29.277 20.922 85 HB2 ASN 15 HB2 ASN 15 27.147 -29.097 17.999 86 HB3 ASN 15 HB1 ASN 15 28.450 -28.110 18.659 87 HD21 ASN 15 HD21 ASN 15 27.945 -31.105 17.378 88 HD22 ASN 15 HD22 ASN 15 29.134 -31.982 18.213 89 H GLN 16 HN GLN 16 26.856 -26.805 18.500 90 HA GLN 16 HA GLN 16 27.451 -24.528 18.751 91 HB2 GLN 16 HB2 GLN 16 25.438 -23.376 19.302 92 HB3 GLN 16 HB1 GLN 16 24.973 -24.890 18.532 93 HG2 GLN 16 HG2 GLN 16 25.113 -25.602 21.195 94 HG3 GLN 16 HG1 GLN 16 24.485 -23.959 21.274 95 HE21 GLN 16 HE21 GLN 16 23.584 -27.206 20.774 96 HE22 GLN 16 HE22 GLN 16 22.047 -26.924 20.111 97 H SER 17 HN SER 17 29.070 -25.626 20.578 98 HA SER 17 HA SER 17 28.551 -24.509 23.210 99 HB2 SER 17 HB2 SER 17 30.664 -26.236 21.995 100 HB3 SER 17 HB1 SER 17 31.050 -25.343 23.463 101 HG SER 17 HG SER 17 28.660 -26.821 23.236 102 H GLU 18 HN GLU 18 28.403 -22.269 22.497 103 HA GLU 18 HA GLU 18 29.251 -20.177 21.991 104 HB2 GLU 18 HB2 GLU 18 30.066 -20.770 24.348 105 HB3 GLU 18 HB1 GLU 18 31.632 -21.090 23.600 106 HG2 GLU 18 HG2 GLU 18 31.308 -18.733 22.514 107 HG3 GLU 18 HG1 GLU 18 30.137 -18.489 23.808 108 H CYS 19 HN CYS 19 29.654 -20.222 19.793 109 HA CYS 19 HA CYS 19 32.485 -20.395 19.057 110 HB2 CYS 19 HB2 CYS 19 31.897 -21.723 17.019 111 HB3 CYS 19 HB1 CYS 19 31.692 -22.617 18.526 112 HG CYS 19 HG CYS 19 29.134 -22.357 18.329 113 H GLU 20 HN GLU 20 31.606 -18.019 19.275 114 HA GLU 20 HA GLU 20 31.533 -16.931 16.655 115 HB2 GLU 20 HB2 GLU 20 29.286 -15.922 16.720 116 HB3 GLU 20 HB1 GLU 20 29.195 -17.683 16.715 117 HG2 GLU 20 HG2 GLU 20 27.848 -17.431 18.519 118 HG3 GLU 20 HG1 GLU 20 29.342 -17.131 19.405 119 H TYR 21 HN TYR 21 30.989 -16.543 20.101 120 HA TYR 21 HA TYR 21 31.172 -13.714 20.200 121 HB2 TYR 21 HB2 TYR 21 30.808 -14.030 22.396 122 HB3 TYR 21 HB1 TYR 21 30.692 -15.752 22.027 123 HD1 TYR 21 HD2 TYR 21 32.906 -17.098 21.950 124 HD2 TYR 21 HD1 TYR 21 32.529 -13.235 23.787 125 HE1 TYR 21 HE2 TYR 21 34.967 -17.522 23.264 126 HE2 TYR 21 HE1 TYR 21 34.589 -13.658 25.102 127 HH TYR 21 HH TYR 21 36.758 -15.307 24.636 128 H THR 22 HN THR 22 33.396 -15.769 19.048 129 HA THR 22 HA THR 22 35.752 -14.608 20.318 130 HB THR 22 HB THR 22 35.737 -16.458 17.938 131 HG1 THR 22 HG1 THR 22 34.963 -16.908 20.536 132 HG21 THR 22 HG21 THR 22 37.658 -16.074 20.252 133 HG22 THR 22 HG22 THR 22 37.866 -15.387 18.640 134 HG23 THR 22 HG23 THR 22 37.898 -17.136 18.864 135 H ASP 23 HN ASP 23 34.082 -14.565 17.199 136 HA ASP 23 HA ASP 23 36.037 -12.838 15.964 137 HB2 ASP 23 HB2 ASP 23 33.625 -14.274 15.157 138 HB3 ASP 23 HB1 ASP 23 33.736 -12.668 14.438 139 H TRP 24 HN TRP 24 33.893 -12.286 18.346 140 HA TRP 24 HA TRP 24 32.475 -9.983 17.602 141 HB2 TRP 24 HB2 TRP 24 32.109 -9.628 19.915 142 HB3 TRP 24 HB1 TRP 24 32.235 -11.374 19.731 143 HD1 TRP 24 HD1 TRP 24 35.551 -11.139 19.400 144 HE1 TRP 24 HE1 TRP 24 36.903 -10.919 21.580 145 HE3 TRP 24 HE3 TRP 24 31.874 -9.530 22.559 146 HZ2 TRP 24 HZ2 TRP 24 36.483 -10.162 24.306 147 HZ3 TRP 24 HZ3 TRP 24 32.378 -9.067 24.941 148 HH2 TRP 24 HH2 TRP 24 34.677 -9.380 25.817 149 H LYS 25 HN LYS 25 33.499 -8.275 19.820 150 HA LYS 25 HA LYS 25 35.264 -6.659 18.249 151 HB2 LYS 25 HB2 LYS 25 35.351 -5.231 20.285 152 HB3 LYS 25 HB1 LYS 25 33.704 -5.607 19.779 153 HG2 LYS 25 HG2 LYS 25 33.276 -6.594 21.754 154 HG3 LYS 25 HG1 LYS 25 34.662 -7.667 21.554 155 HD2 LYS 25 HD2 LYS 25 36.156 -5.895 22.413 156 HD3 LYS 25 HD1 LYS 25 34.764 -4.834 22.632 157 HE2 LYS 25 HE2 LYS 25 33.829 -6.894 24.017 158 HE3 LYS 25 HE1 LYS 25 35.543 -7.281 24.173 159 HZ1 LYS 25 HZ1 LYS 25 35.851 -4.919 24.906 160 HZ2 LYS 25 HZ2 LYS 25 34.991 -5.908 25.989 161 HZ3 LYS 25 HZ3 LYS 25 34.162 -4.796 25.007 162 H SER 26 HN SER 26 36.391 -9.186 18.560 163 HA SER 26 HA SER 26 38.285 -9.340 20.668 164 HB2 SER 26 HB2 SER 26 38.135 -11.413 19.753 165 HB3 SER 26 HB1 SER 26 37.722 -10.788 18.158 166 HG SER 26 HG SER 26 39.780 -10.729 17.647 167 H SER 27 HN SER 27 38.790 -8.646 17.202 168 HA SER 27 HA SER 27 41.066 -6.914 17.965 169 HB2 SER 27 HB2 SER 27 41.224 -8.132 15.303 170 HB3 SER 27 HB1 SER 27 42.462 -7.972 16.546 171 HG SER 27 HG SER 27 40.565 -9.987 16.125 172 H GLY 28 HN GLY 28 38.152 -7.305 16.206 173 HA2 GLY 28 HA2 GLY 28 38.331 -5.610 14.055 174 HA3 GLY 28 HA1 GLY 28 36.887 -5.756 15.050 175 H ALA 29 HN ALA 29 38.479 -4.800 17.426 176 HA ALA 29 HA ALA 29 38.888 -1.978 16.701 177 HB1 ALA 29 HB1 ALA 29 37.617 -1.436 18.887 178 HB2 ALA 29 HB2 ALA 29 36.928 -3.051 18.716 179 HB3 ALA 29 HB3 ALA 29 36.669 -1.844 17.457 180 H LEU 30 HN LEU 30 41.126 -2.803 16.987 181 HA LEU 30 HA LEU 30 42.158 -3.770 19.398 182 HB2 LEU 30 HB2 LEU 30 43.412 -2.067 17.240 183 HB3 LEU 30 HB1 LEU 30 44.323 -2.740 18.592 184 HG LEU 30 HG LEU 30 42.577 -4.608 17.056 185 HD11 LEU 30 HD11 LEU 30 43.583 -3.515 15.192 186 HD12 LEU 30 HD12 LEU 30 44.567 -4.952 15.475 187 HD13 LEU 30 HD13 LEU 30 45.135 -3.372 16.018 188 HD21 LEU 30 HD21 LEU 30 45.412 -4.871 18.099 189 HD22 LEU 30 HD22 LEU 30 44.322 -6.176 17.633 190 HD23 LEU 30 HD23 LEU 30 43.984 -5.216 19.073 191 H ILE 31 HN ILE 31 42.877 -0.475 18.294 192 HA ILE 31 HA ILE 31 42.981 0.417 21.052 193 HB ILE 31 HB ILE 31 43.805 1.553 18.416 194 HG12 ILE 31 HG12 ILE 31 45.169 0.187 20.230 195 HG13 ILE 31 HG11 ILE 31 45.915 1.535 19.376 196 HG21 ILE 31 HG21 ILE 31 43.109 3.140 20.891 197 HG22 ILE 31 HG22 ILE 31 42.668 3.467 19.214 198 HG23 ILE 31 HG23 ILE 31 44.331 3.702 19.750 199 HD11 ILE 31 HD11 ILE 31 44.459 1.968 21.983 200 HD12 ILE 31 HD12 ILE 31 45.673 2.993 21.217 201 HD13 ILE 31 HD13 ILE 31 46.148 1.465 21.955 202 HA PRO 32 HA PRO 32 39.345 3.125 19.125 203 HB2 PRO 32 HB2 PRO 32 37.922 0.882 17.789 204 HB3 PRO 32 HB1 PRO 32 38.130 2.562 17.261 205 HG2 PRO 32 HG2 PRO 32 39.463 0.560 16.113 206 HG3 PRO 32 HG1 PRO 32 40.190 2.160 16.338 207 HD2 PRO 32 HD2 PRO 32 40.675 -0.364 17.872 208 HD3 PRO 32 HD1 PRO 32 41.813 0.930 17.439 209 H ALA 33 HN ALA 33 39.481 -0.047 20.450 210 HA ALA 33 HA ALA 33 36.847 -0.043 21.629 211 HB1 ALA 33 HB1 ALA 33 39.278 -1.797 21.879 212 HB2 ALA 33 HB2 ALA 33 37.682 -2.201 21.245 213 HB3 ALA 33 HB3 ALA 33 37.913 -1.981 22.979 214 H ILE 34 HN ILE 34 40.066 0.962 22.551 215 HA ILE 34 HA ILE 34 39.392 1.293 25.350 216 HB ILE 34 HB ILE 34 41.796 2.455 23.950 217 HG12 ILE 34 HG12 ILE 34 41.769 0.157 23.244 218 HG13 ILE 34 HG11 ILE 34 42.907 0.257 24.588 219 HG21 ILE 34 HG21 ILE 34 42.822 2.065 26.168 220 HG22 ILE 34 HG22 ILE 34 41.293 1.405 26.752 221 HG23 ILE 34 HG23 ILE 34 41.401 3.103 26.292 222 HD11 ILE 34 HD11 ILE 34 40.896 -0.361 26.090 223 HD12 ILE 34 HD12 ILE 34 41.586 -1.641 25.093 224 HD13 ILE 34 HD13 ILE 34 40.096 -0.842 24.594 225 H TYR 35 HN TYR 35 39.077 3.104 22.468 226 HA TYR 35 HA TYR 35 39.245 5.732 23.558 227 HB2 TYR 35 HB2 TYR 35 38.839 4.574 21.010 228 HB3 TYR 35 HB1 TYR 35 37.448 5.613 21.320 229 HD1 TYR 35 HD1 TYR 35 37.718 8.020 21.674 230 HD2 TYR 35 HD2 TYR 35 41.102 5.491 20.894 231 HE1 TYR 35 HE1 TYR 35 39.109 10.021 21.218 232 HE2 TYR 35 HE2 TYR 35 42.493 7.492 20.438 233 HH TYR 35 HH TYR 35 41.081 10.711 20.269 234 H MET 36 HN MET 36 36.423 3.766 22.589 235 HA MET 36 HA MET 36 34.494 5.516 23.696 236 HB2 MET 36 HB2 MET 36 34.318 2.546 23.129 237 HB3 MET 36 HB1 MET 36 32.945 3.604 23.461 238 HG2 MET 36 HG2 MET 36 32.963 4.468 21.367 239 HG3 MET 36 HG1 MET 36 34.719 4.633 21.361 240 HE1 MET 36 HE1 MET 36 35.787 3.729 19.468 241 HE2 MET 36 HE2 MET 36 34.225 4.041 18.715 242 HE3 MET 36 HE3 MET 36 35.073 2.534 18.374 243 H LEU 37 HN LEU 37 36.254 2.753 25.005 244 HA LEU 37 HA LEU 37 34.760 2.516 27.410 245 HB2 LEU 37 HB2 LEU 37 37.244 1.414 26.291 246 HB3 LEU 37 HB1 LEU 37 37.273 1.590 28.044 247 HG LEU 37 HG LEU 37 36.382 -0.630 27.254 248 HD11 LEU 37 HD11 LEU 37 33.969 0.261 28.507 249 HD12 LEU 37 HD12 LEU 37 35.316 1.145 29.223 250 HD13 LEU 37 HD13 LEU 37 35.314 -0.617 29.231 251 HD21 LEU 37 HD21 LEU 37 35.047 0.871 25.388 252 HD22 LEU 37 HD22 LEU 37 33.770 0.563 26.565 253 HD23 LEU 37 HD23 LEU 37 34.624 -0.787 25.817 254 H VAL 38 HN VAL 38 36.297 5.137 26.394 255 HA VAL 38 HA VAL 38 37.018 5.969 29.131 256 HB VAL 38 HB VAL 38 38.603 6.511 26.610 257 HG11 VAL 38 HG11 VAL 38 38.821 8.519 27.762 258 HG12 VAL 38 HG12 VAL 38 40.129 7.582 28.484 259 HG13 VAL 38 HG13 VAL 38 38.596 7.759 29.338 260 HG21 VAL 38 HG21 VAL 38 40.362 5.273 27.721 261 HG22 VAL 38 HG22 VAL 38 38.903 4.281 27.764 262 HG23 VAL 38 HG23 VAL 38 39.413 5.163 29.204 263 H PHE 39 HN PHE 39 35.129 6.440 26.459 264 HA PHE 39 HA PHE 39 34.979 9.360 26.745 265 HB2 PHE 39 HB2 PHE 39 34.797 7.689 24.534 266 HB3 PHE 39 HB1 PHE 39 33.124 8.146 24.854 267 HD1 PHE 39 HD1 PHE 39 32.636 10.659 25.259 268 HD2 PHE 39 HD2 PHE 39 36.249 9.193 23.455 269 HE1 PHE 39 HE1 PHE 39 33.060 12.900 24.286 270 HE2 PHE 39 HE2 PHE 39 36.672 11.434 22.482 271 HZ PHE 39 HZ PHE 39 35.078 13.288 22.898 272 H LEU 40 HN LEU 40 32.696 6.616 26.549 273 HA LEU 40 HA LEU 40 30.504 8.062 27.621 274 HB2 LEU 40 HB2 LEU 40 29.501 5.786 27.951 275 HB3 LEU 40 HB1 LEU 40 30.089 6.079 26.315 276 HG LEU 40 HG LEU 40 32.265 5.040 27.842 277 HD11 LEU 40 HD11 LEU 40 31.376 2.888 28.555 278 HD12 LEU 40 HD12 LEU 40 29.768 3.324 27.977 279 HD13 LEU 40 HD13 LEU 40 30.470 4.173 29.355 280 HD21 LEU 40 HD21 LEU 40 32.197 3.290 26.138 281 HD22 LEU 40 HD22 LEU 40 31.849 4.845 25.383 282 HD23 LEU 40 HD23 LEU 40 30.537 3.718 25.726 283 H LEU 41 HN LEU 41 33.081 6.173 29.071 284 HA LEU 41 HA LEU 41 32.074 5.676 31.601 285 HB2 LEU 41 HB2 LEU 41 34.756 6.033 30.426 286 HB3 LEU 41 HB1 LEU 41 34.663 6.327 32.162 287 HG LEU 41 HG LEU 41 33.583 4.132 32.483 288 HD11 LEU 41 HD11 LEU 41 33.690 4.165 29.490 289 HD12 LEU 41 HD12 LEU 41 32.405 3.600 30.557 290 HD13 LEU 41 HD13 LEU 41 33.850 2.617 30.318 291 HD21 LEU 41 HD21 LEU 41 36.275 4.537 31.396 292 HD22 LEU 41 HD22 LEU 41 35.687 2.891 31.162 293 HD23 LEU 41 HD23 LEU 41 35.760 3.579 32.784 294 H GLY 42 HN GLY 42 33.668 8.626 30.414 295 HA2 GLY 42 HA2 GLY 42 32.892 10.006 32.902 296 HA3 GLY 42 HA1 GLY 42 34.123 10.556 31.770 297 H THR 43 HN THR 43 31.372 9.362 30.202 298 HA THR 43 HA THR 43 30.096 12.010 30.071 299 HB THR 43 HB THR 43 30.546 10.416 27.562 300 HG1 THR 43 HG1 THR 43 32.254 12.306 28.796 301 HG21 THR 43 HG21 THR 43 28.986 12.569 28.079 302 HG22 THR 43 HG22 THR 43 29.731 12.271 26.509 303 HG23 THR 43 HG23 THR 43 30.493 13.379 27.651 304 H THR 44 HN THR 44 28.608 10.801 27.686 305 HA THR 44 HA THR 44 26.573 9.794 27.349 306 HB THR 44 HB THR 44 27.613 7.852 29.427 307 HG1 THR 44 HG1 THR 44 28.230 8.360 26.805 308 HG21 THR 44 HG21 THR 44 25.420 7.700 27.349 309 HG22 THR 44 HG22 THR 44 25.260 7.511 29.095 310 HG23 THR 44 HG23 THR 44 26.093 6.279 28.147 311 H GLY 45 HN GLY 45 26.885 8.858 30.748 312 HA2 GLY 45 HA2 GLY 45 24.928 10.877 31.559 313 HA3 GLY 45 HA1 GLY 45 24.441 9.191 31.720 314 H ASN 46 HN ASN 46 27.665 10.570 32.221 315 HA ASN 46 HA ASN 46 28.146 9.160 34.606 316 HB2 ASN 46 HB2 ASN 46 30.076 10.646 34.877 317 HB3 ASN 46 HB1 ASN 46 29.938 10.108 33.205 318 HD21 ASN 46 HD21 ASN 46 28.970 11.693 31.636 319 HD22 ASN 46 HD22 ASN 46 29.085 13.354 31.964 320 H GLY 47 HN GLY 47 26.052 9.605 35.686 321 HA2 GLY 47 HA2 GLY 47 26.381 11.551 37.750 322 HA3 GLY 47 HA1 GLY 47 25.151 12.057 36.595 323 H LEU 48 HN LEU 48 24.280 9.352 35.978 324 HA LEU 48 HA LEU 48 23.195 8.405 38.541 325 HB2 LEU 48 HB2 LEU 48 21.709 9.874 36.554 326 HB3 LEU 48 HB1 LEU 48 21.070 8.237 36.696 327 HG LEU 48 HG LEU 48 21.606 10.054 39.062 328 HD11 LEU 48 HD11 LEU 48 19.051 10.121 39.124 329 HD12 LEU 48 HD12 LEU 48 19.092 9.500 37.473 330 HD13 LEU 48 HD13 LEU 48 19.815 11.065 37.846 331 HD21 LEU 48 HD21 LEU 48 21.166 8.228 40.310 332 HD22 LEU 48 HD22 LEU 48 21.162 7.266 38.833 333 HD23 LEU 48 HD23 LEU 48 19.657 7.957 39.439 334 H VAL 49 HN VAL 49 24.692 7.752 35.674 335 HA VAL 49 HA VAL 49 23.467 5.162 35.168 336 HB VAL 49 HB VAL 49 25.844 6.574 33.939 337 HG11 VAL 49 HG11 VAL 49 25.375 4.669 32.175 338 HG12 VAL 49 HG12 VAL 49 24.705 3.821 33.570 339 HG13 VAL 49 HG13 VAL 49 26.392 4.339 33.578 340 HG21 VAL 49 HG21 VAL 49 24.358 6.858 32.033 341 HG22 VAL 49 HG22 VAL 49 23.545 7.477 33.470 342 HG23 VAL 49 HG23 VAL 49 23.105 5.898 32.821 343 H LEU 50 HN LEU 50 25.735 6.384 37.309 344 HA LEU 50 HA LEU 50 27.312 3.910 37.413 345 HB2 LEU 50 HB2 LEU 50 28.436 5.330 39.340 346 HB3 LEU 50 HB1 LEU 50 28.808 5.653 37.647 347 HG LEU 50 HG LEU 50 27.160 7.463 37.595 348 HD11 LEU 50 HD11 LEU 50 26.588 6.479 40.391 349 HD12 LEU 50 HD12 LEU 50 25.450 6.760 39.073 350 HD13 LEU 50 HD13 LEU 50 26.193 8.127 39.904 351 HD21 LEU 50 HD21 LEU 50 29.532 7.414 39.188 352 HD22 LEU 50 HD22 LEU 50 28.348 8.427 40.013 353 HD23 LEU 50 HD23 LEU 50 28.813 8.790 38.351 354 H TRP 51 HN TRP 51 24.438 4.930 38.578 355 HA TRP 51 HA TRP 51 24.744 3.889 41.294 356 HB2 TRP 51 HB2 TRP 51 23.023 5.248 41.754 357 HB3 TRP 51 HB1 TRP 51 23.045 5.785 40.074 358 HD1 TRP 51 HD1 TRP 51 21.619 4.134 38.327 359 HE1 TRP 51 HE1 TRP 51 19.343 2.992 38.726 360 HE3 TRP 51 HE3 TRP 51 21.444 4.276 43.429 361 HZ2 TRP 51 HZ2 TRP 51 17.669 2.239 40.920 362 HZ3 TRP 51 HZ3 TRP 51 19.498 3.341 44.646 363 HH2 TRP 51 HH2 TRP 51 17.612 2.323 43.399 364 H THR 52 HN THR 52 23.710 2.875 38.167 365 HA THR 52 HA THR 52 22.137 0.635 39.159 366 HB THR 52 HB THR 52 21.765 2.009 36.965 367 HG1 THR 52 HG1 THR 52 21.129 -0.095 35.964 368 HG21 THR 52 HG21 THR 52 24.221 1.445 36.310 369 HG22 THR 52 HG22 THR 52 22.976 1.349 35.066 370 HG23 THR 52 HG23 THR 52 23.567 -0.123 35.838 371 H VAL 53 HN VAL 53 25.392 1.327 38.288 372 HA VAL 53 HA VAL 53 26.176 -1.347 37.603 373 HB VAL 53 HB VAL 53 27.682 1.166 38.310 374 HG11 VAL 53 HG11 VAL 53 28.678 -1.659 37.989 375 HG12 VAL 53 HG12 VAL 53 29.148 -0.448 39.183 376 HG13 VAL 53 HG13 VAL 53 29.693 -0.297 37.512 377 HG21 VAL 53 HG21 VAL 53 27.923 1.395 36.050 378 HG22 VAL 53 HG22 VAL 53 26.518 0.330 35.982 379 HG23 VAL 53 HG23 VAL 53 28.141 -0.337 35.802 380 H PHE 54 HN PHE 54 26.340 0.646 40.533 381 HA PHE 54 HA PHE 54 27.602 -1.456 42.070 382 HB2 PHE 54 HB2 PHE 54 28.217 0.375 43.213 383 HB3 PHE 54 HB1 PHE 54 26.992 1.363 42.416 384 HD1 PHE 54 HD1 PHE 54 27.653 -0.918 45.258 385 HD2 PHE 54 HD2 PHE 54 24.840 1.762 43.427 386 HE1 PHE 54 HE1 PHE 54 26.281 -0.946 47.324 387 HE2 PHE 54 HE2 PHE 54 23.468 1.734 45.493 388 HZ PHE 54 HZ PHE 54 24.189 0.379 47.442 389 H ARG 55 HN ARG 55 24.457 -0.780 41.067 390 HA ARG 55 HA ARG 55 23.202 -2.026 43.407 391 HB2 ARG 55 HB2 ARG 55 22.200 0.023 42.381 392 HB3 ARG 55 HB1 ARG 55 21.902 -0.909 40.914 393 HG2 ARG 55 HG2 ARG 55 19.981 -1.654 41.814 394 HG3 ARG 55 HG1 ARG 55 20.918 -2.464 43.070 395 HD2 ARG 55 HD2 ARG 55 20.036 0.433 43.176 396 HD3 ARG 55 HD1 ARG 55 19.229 -0.894 44.008 397 HE ARG 55 HE ARG 55 21.922 -0.966 44.759 398 HH11 ARG 55 HH21 ARG 55 19.179 1.134 44.970 399 HH12 ARG 55 HH22 ARG 55 19.672 1.854 46.466 400 HH21 ARG 55 HH11 ARG 55 22.574 -0.028 46.722 401 HH22 ARG 55 HH12 ARG 55 21.595 1.196 47.458 402 H LYS 56 HN LYS 56 23.039 -2.403 39.854 403 HA LYS 56 HA LYS 56 21.731 -4.820 39.720 404 HB2 LYS 56 HB2 LYS 56 22.521 -5.016 37.527 405 HB3 LYS 56 HB1 LYS 56 22.621 -3.281 37.823 406 HG2 LYS 56 HG2 LYS 56 25.038 -3.783 38.639 407 HG3 LYS 56 HG1 LYS 56 24.845 -5.313 37.783 408 HD2 LYS 56 HD2 LYS 56 24.464 -2.565 36.555 409 HD3 LYS 56 HD1 LYS 56 25.882 -3.589 36.336 410 HE2 LYS 56 HE2 LYS 56 24.569 -4.052 34.431 411 HE3 LYS 56 HE1 LYS 56 24.205 -5.389 35.522 412 HZ1 LYS 56 HZ1 LYS 56 22.520 -3.122 35.968 413 HZ2 LYS 56 HZ2 LYS 56 22.100 -4.746 35.695 414 HZ3 LYS 56 HZ3 LYS 56 22.388 -3.707 34.380 415 H LYS 57 HN LYS 57 24.999 -4.185 40.727 416 HA LYS 57 HA LYS 57 25.715 -7.020 40.666 417 HB2 LYS 57 HB2 LYS 57 27.229 -4.493 41.312 418 HB3 LYS 57 HB1 LYS 57 27.899 -6.092 41.643 419 HG2 LYS 57 HG2 LYS 57 27.708 -6.714 39.299 420 HG3 LYS 57 HG1 LYS 57 26.891 -5.196 38.928 421 HD2 LYS 57 HD2 LYS 57 28.844 -3.915 39.308 422 HD3 LYS 57 HD1 LYS 57 29.642 -5.234 40.168 423 HE2 LYS 57 HE2 LYS 57 28.828 -5.877 37.401 424 HE3 LYS 57 HE1 LYS 57 30.079 -4.642 37.536 425 HZ1 LYS 57 HZ1 LYS 57 31.151 -6.737 37.459 426 HZ2 LYS 57 HZ2 LYS 57 30.130 -7.389 38.652 427 HZ3 LYS 57 HZ3 LYS 57 31.265 -6.191 39.062 428 H GLY 58 HN GLY 58 23.560 -6.391 42.358 429 HA2 GLY 58 HA2 GLY 58 24.655 -6.330 45.078 430 HA3 GLY 58 HA1 GLY 58 22.953 -6.214 44.637 431 H HIS 59 HN HIS 59 21.725 -7.991 44.818 432 HA HIS 59 HA HIS 59 22.644 -10.333 46.044 433 HB2 HIS 59 HB2 HIS 59 20.216 -10.235 44.258 434 HB3 HIS 59 HB1 HIS 59 20.470 -11.202 45.711 435 HD2 HIS 59 HD2 HIS 59 21.396 -8.807 47.779 436 HE1 HIS 59 HE1 HIS 59 17.771 -6.943 46.678 437 HE2 HIS 59 HE2 HIS 59 19.632 -6.986 48.406 438 H HIS 60 HN HIS 60 22.493 -9.419 42.677 439 HA HIS 60 HA HIS 60 22.574 -11.845 41.366 440 HB2 HIS 60 HB2 HIS 60 22.649 -9.435 40.419 441 HB3 HIS 60 HB1 HIS 60 24.400 -9.595 40.559 442 HD2 HIS 60 HD2 HIS 60 21.689 -12.138 39.083 443 HE1 HIS 60 HE1 HIS 60 24.920 -11.800 36.388 444 HE2 HIS 60 HE2 HIS 60 22.693 -12.945 36.812 445 H HIS 61 HN HIS 61 23.713 -13.514 42.224 446 HA HIS 61 HA HIS 61 26.379 -13.209 43.259 447 HB2 HIS 61 HB2 HIS 61 26.306 -15.571 43.656 448 HB3 HIS 61 HB1 HIS 61 24.703 -14.938 44.029 449 HD2 HIS 61 HD2 HIS 61 22.857 -15.256 41.665 450 HE1 HIS 61 HE1 HIS 61 24.923 -18.696 40.355 451 HE2 HIS 61 HE2 HIS 61 22.786 -17.348 40.103 452 H HIS 62 HN HIS 62 28.168 -14.651 42.422 453 HA HIS 62 HA HIS 62 28.895 -13.902 39.825 454 HB2 HIS 62 HB2 HIS 62 29.894 -15.994 41.735 455 HB3 HIS 62 HB1 HIS 62 30.555 -15.891 40.104 456 HD2 HIS 62 HD2 HIS 62 30.186 -13.450 43.229 457 HE1 HIS 62 HE1 HIS 62 33.419 -12.164 40.836 458 HE2 HIS 62 HE2 HIS 62 32.150 -11.744 42.995 459 H HIS 63 HN HIS 63 27.770 -14.447 38.058 460 HA HIS 63 HA HIS 63 26.126 -16.692 37.747 461 HB2 HIS 63 HB2 HIS 63 26.619 -14.459 36.270 462 HB3 HIS 63 HB1 HIS 63 27.418 -15.689 35.291 463 HD2 HIS 63 HD2 HIS 63 25.125 -18.100 36.022 464 HE1 HIS 63 HE1 HIS 63 22.498 -15.447 34.049 465 HE2 HIS 63 HE2 HIS 63 22.807 -17.837 34.849 466 H HIS 64 HN HIS 64 26.693 -18.764 37.754 467 HA HIS 64 HA HIS 64 28.489 -19.923 35.947 468 HB2 HIS 64 HB2 HIS 64 30.465 -19.395 36.908 469 HB3 HIS 64 HB1 HIS 64 29.706 -18.931 38.430 470 HD2 HIS 64 HD2 HIS 64 30.415 -22.441 36.649 471 HE1 HIS 64 HE1 HIS 64 30.891 -22.856 40.823 472 HE2 HIS 64 HE2 HIS 64 31.030 -24.068 38.597 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 44.348 -11.082 47.839 2 H2 MET 1 HT2 MET 1 45.110 -9.629 48.280 3 H3 MET 1 HT3 MET 1 45.730 -11.116 48.821 4 HA MET 1 HA MET 1 45.679 -10.132 46.022 5 HB2 MET 1 HB2 MET 1 47.917 -10.664 47.999 6 HB3 MET 1 HB1 MET 1 48.163 -10.290 46.292 7 HG2 MET 1 HG2 MET 1 47.200 -8.113 46.535 8 HG3 MET 1 HG1 MET 1 46.588 -8.491 48.145 9 HE1 MET 1 HE1 MET 1 47.474 -7.010 49.741 10 HE2 MET 1 HE2 MET 1 49.077 -7.260 50.427 11 HE3 MET 1 HE3 MET 1 47.964 -8.619 50.290 12 H GLU 2 HN GLU 2 44.915 -11.867 44.911 13 HA GLU 2 HA GLU 2 44.658 -14.056 44.210 14 HB2 GLU 2 HB2 GLU 2 47.656 -14.054 44.625 15 HB3 GLU 2 HB1 GLU 2 46.741 -15.084 43.523 16 HG2 GLU 2 HG2 GLU 2 45.920 -12.975 42.388 17 HG3 GLU 2 HG1 GLU 2 47.082 -12.081 43.367 18 H GLU 3 HN GLU 3 43.758 -14.162 46.632 19 HA GLU 3 HA GLU 3 44.740 -16.697 47.664 20 HB2 GLU 3 HB2 GLU 3 45.404 -14.170 48.926 21 HB3 GLU 3 HB1 GLU 3 44.454 -15.194 50.005 22 HG2 GLU 3 HG2 GLU 3 46.880 -16.173 48.480 23 HG3 GLU 3 HG1 GLU 3 46.947 -15.576 50.137 24 H GLY 4 HN GLY 4 42.767 -17.623 47.254 25 HA2 GLY 4 HA2 GLY 4 40.797 -18.016 48.900 26 HA3 GLY 4 HA1 GLY 4 40.370 -16.375 48.425 27 H GLY 5 HN GLY 5 40.664 -16.202 45.821 28 HA2 GLY 5 HA2 GLY 5 39.908 -16.856 43.735 29 HA3 GLY 5 HA1 GLY 5 39.784 -18.504 44.345 30 H ASP 6 HN ASP 6 38.072 -15.721 43.445 31 HA ASP 6 HA ASP 6 35.698 -16.154 45.001 32 HB2 ASP 6 HB2 ASP 6 36.663 -14.087 43.454 33 HB3 ASP 6 HB1 ASP 6 35.355 -14.732 42.463 34 H PHE 7 HN PHE 7 33.664 -16.896 44.219 35 HA PHE 7 HA PHE 7 33.820 -19.255 42.639 36 HB2 PHE 7 HB2 PHE 7 31.398 -17.663 43.518 37 HB3 PHE 7 HB1 PHE 7 31.365 -19.302 42.866 38 HD1 PHE 7 HD1 PHE 7 32.774 -21.096 44.083 39 HD2 PHE 7 HD2 PHE 7 31.740 -17.306 45.819 40 HE1 PHE 7 HE1 PHE 7 33.232 -22.007 46.345 41 HE2 PHE 7 HE2 PHE 7 32.197 -18.216 48.080 42 HZ PHE 7 HZ PHE 7 32.944 -20.566 48.343 43 H ASP 8 HN ASP 8 33.044 -19.677 40.571 44 HA ASP 8 HA ASP 8 32.173 -17.396 38.938 45 HB2 ASP 8 HB2 ASP 8 34.721 -17.800 38.803 46 HB3 ASP 8 HB1 ASP 8 34.300 -19.262 37.912 47 H ASN 9 HN ASN 9 30.405 -19.194 39.767 48 HA ASN 9 HA ASN 9 30.066 -21.092 37.522 49 HB2 ASN 9 HB2 ASN 9 30.249 -21.939 39.968 50 HB3 ASN 9 HB1 ASN 9 28.616 -21.300 40.146 51 HD21 ASN 9 HD21 ASN 9 27.079 -22.898 39.803 52 HD22 ASN 9 HD22 ASN 9 27.228 -24.172 38.690 53 H TYR 10 HN TYR 10 29.383 -18.351 37.291 54 HA TYR 10 HA TYR 10 26.668 -17.812 37.843 55 HB2 TYR 10 HB2 TYR 10 28.756 -16.654 36.061 56 HB3 TYR 10 HB1 TYR 10 27.075 -16.236 35.730 57 HD1 TYR 10 HD1 TYR 10 29.021 -16.839 38.884 58 HD2 TYR 10 HD2 TYR 10 26.551 -14.143 36.628 59 HE1 TYR 10 HE1 TYR 10 29.051 -15.231 40.771 60 HE2 TYR 10 HE2 TYR 10 26.582 -12.536 38.515 61 HH TYR 10 HH TYR 10 27.470 -13.325 41.587 62 H TYR 11 HN TYR 11 24.930 -18.786 37.044 63 HA TYR 11 HA TYR 11 24.922 -20.697 35.010 64 HB2 TYR 11 HB2 TYR 11 22.699 -20.886 35.452 65 HB3 TYR 11 HB1 TYR 11 23.095 -19.853 36.825 66 HD1 TYR 11 HD1 TYR 11 23.015 -17.283 36.423 67 HD2 TYR 11 HD2 TYR 11 21.132 -20.167 33.857 68 HE1 TYR 11 HE1 TYR 11 21.531 -15.512 35.521 69 HE2 TYR 11 HE2 TYR 11 19.648 -18.397 32.956 70 HH TYR 11 HH TYR 11 20.068 -15.512 32.876 71 H GLY 12 HN GLY 12 23.840 -20.595 32.903 72 HA2 GLY 12 HA2 GLY 12 23.084 -18.370 31.481 73 HA3 GLY 12 HA1 GLY 12 24.839 -18.410 31.332 74 H ALA 13 HN ALA 13 21.934 -19.545 30.068 75 HA ALA 13 HA ALA 13 22.732 -22.082 29.061 76 HB1 ALA 13 HB1 ALA 13 20.602 -20.131 28.168 77 HB2 ALA 13 HB2 ALA 13 20.388 -21.564 29.173 78 HB3 ALA 13 HB3 ALA 13 20.810 -21.736 27.469 79 H ASP 14 HN ASP 14 24.956 -21.176 28.444 80 HA ASP 14 HA ASP 14 25.351 -19.495 26.243 81 HB2 ASP 14 HB2 ASP 14 27.464 -21.139 26.012 82 HB3 ASP 14 HB1 ASP 14 27.354 -19.901 27.262 83 H ASN 15 HN ASN 15 23.644 -20.090 24.772 84 HA ASN 15 HA ASN 15 24.518 -22.122 22.874 85 HB2 ASN 15 HB2 ASN 15 23.051 -23.386 24.382 86 HB3 ASN 15 HB1 ASN 15 21.770 -22.200 24.143 87 HD21 ASN 15 HD21 ASN 15 22.525 -25.225 23.192 88 HD22 ASN 15 HD22 ASN 15 21.913 -25.213 21.609 89 H GLN 16 HN GLN 16 21.510 -20.306 23.498 90 HA GLN 16 HA GLN 16 21.305 -19.517 20.737 91 HB2 GLN 16 HB2 GLN 16 19.334 -18.218 21.536 92 HB3 GLN 16 HB1 GLN 16 19.279 -19.916 22.013 93 HG2 GLN 16 HG2 GLN 16 20.709 -18.408 24.007 94 HG3 GLN 16 HG1 GLN 16 19.148 -17.648 23.706 95 HE21 GLN 16 HE21 GLN 16 20.628 -20.821 24.505 96 HE22 GLN 16 HE22 GLN 16 19.254 -21.431 25.291 97 H SER 17 HN SER 17 23.516 -18.582 22.767 98 HA SER 17 HA SER 17 23.217 -15.690 22.620 99 HB2 SER 17 HB2 SER 17 24.218 -16.651 24.623 100 HB3 SER 17 HB1 SER 17 25.464 -17.433 23.656 101 HG SER 17 HG SER 17 25.628 -15.099 24.710 102 H GLU 18 HN GLU 18 23.098 -16.005 20.160 103 HA GLU 18 HA GLU 18 25.768 -16.213 18.944 104 HB2 GLU 18 HB2 GLU 18 23.499 -17.354 18.116 105 HB3 GLU 18 HB1 GLU 18 23.323 -15.803 17.294 106 HG2 GLU 18 HG2 GLU 18 25.826 -16.214 16.597 107 HG3 GLU 18 HG1 GLU 18 25.445 -17.898 16.946 108 H CYS 19 HN CYS 19 26.820 -14.314 19.054 109 HA CYS 19 HA CYS 19 25.846 -12.069 17.569 110 HB2 CYS 19 HB2 CYS 19 25.079 -12.163 20.281 111 HB3 CYS 19 HB1 CYS 19 26.383 -10.981 20.180 112 HG CYS 19 HG CYS 19 24.948 -9.865 18.166 113 H GLU 20 HN GLU 20 27.400 -10.108 18.020 114 HA GLU 20 HA GLU 20 29.546 -9.324 17.774 115 HB2 GLU 20 HB2 GLU 20 29.748 -11.287 20.029 116 HB3 GLU 20 HB1 GLU 20 31.216 -10.542 19.395 117 HG2 GLU 20 HG2 GLU 20 28.843 -8.819 20.046 118 HG3 GLU 20 HG1 GLU 20 29.907 -9.362 21.343 119 H TYR 21 HN TYR 21 28.568 -11.909 16.348 120 HA TYR 21 HA TYR 21 31.143 -13.142 15.695 121 HB2 TYR 21 HB2 TYR 21 29.925 -14.882 14.712 122 HB3 TYR 21 HB1 TYR 21 28.896 -14.399 16.062 123 HD1 TYR 21 HD1 TYR 21 26.892 -12.984 15.675 124 HD2 TYR 21 HD2 TYR 21 29.262 -14.493 12.426 125 HE1 TYR 21 HE1 TYR 21 25.055 -12.463 14.093 126 HE2 TYR 21 HE2 TYR 21 27.425 -13.973 10.844 127 HH TYR 21 HH TYR 21 24.933 -13.677 10.954 128 H THR 22 HN THR 22 29.430 -10.494 14.710 129 HA THR 22 HA THR 22 30.136 -10.761 11.869 130 HB THR 22 HB THR 22 28.487 -8.697 13.346 131 HG1 THR 22 HG1 THR 22 27.853 -10.740 11.484 132 HG21 THR 22 HG21 THR 22 29.394 -7.481 11.563 133 HG22 THR 22 HG22 THR 22 27.905 -8.120 10.865 134 HG23 THR 22 HG23 THR 22 29.450 -8.892 10.504 135 H ASP 23 HN ASP 23 30.702 -8.683 14.686 136 HA ASP 23 HA ASP 23 32.898 -7.357 13.217 137 HB2 ASP 23 HB2 ASP 23 31.165 -6.486 15.520 138 HB3 ASP 23 HB1 ASP 23 32.703 -5.696 15.175 139 H TRP 24 HN TRP 24 32.949 -10.017 14.573 140 HA TRP 24 HA TRP 24 34.212 -10.005 17.035 141 HB2 TRP 24 HB2 TRP 24 35.438 -12.103 16.007 142 HB3 TRP 24 HB1 TRP 24 33.702 -12.136 16.302 143 HD1 TRP 24 HD1 TRP 24 35.060 -10.117 13.382 144 HE1 TRP 24 HE1 TRP 24 34.321 -11.230 11.179 145 HE3 TRP 24 HE3 TRP 24 33.066 -14.449 15.209 146 HZ2 TRP 24 HZ2 TRP 24 33.050 -13.639 10.305 147 HZ3 TRP 24 HZ3 TRP 24 32.099 -16.134 13.669 148 HH2 TRP 24 HH2 TRP 24 32.088 -15.734 11.222 149 H LYS 25 HN LYS 25 36.434 -11.197 14.706 150 HA LYS 25 HA LYS 25 38.430 -9.266 15.625 151 HB2 LYS 25 HB2 LYS 25 40.033 -10.782 14.462 152 HB3 LYS 25 HB1 LYS 25 39.080 -11.597 15.701 153 HG2 LYS 25 HG2 LYS 25 38.184 -13.000 14.186 154 HG3 LYS 25 HG1 LYS 25 37.694 -11.654 13.156 155 HD2 LYS 25 HD2 LYS 25 39.999 -11.533 12.244 156 HD3 LYS 25 HD1 LYS 25 40.450 -12.917 13.239 157 HE2 LYS 25 HE2 LYS 25 38.114 -13.717 11.906 158 HE3 LYS 25 HE1 LYS 25 39.070 -12.875 10.686 159 HZ1 LYS 25 HZ1 LYS 25 39.837 -15.213 12.324 160 HZ2 LYS 25 HZ2 LYS 25 40.998 -14.254 11.539 161 HZ3 LYS 25 HZ3 LYS 25 39.815 -15.073 10.635 162 H SER 26 HN SER 26 37.306 -7.535 14.378 163 HA SER 26 HA SER 26 37.714 -7.658 11.478 164 HB2 SER 26 HB2 SER 26 35.936 -6.297 11.378 165 HB3 SER 26 HB1 SER 26 35.777 -6.462 13.125 166 HG SER 26 HG SER 26 36.029 -4.316 12.765 167 H SER 27 HN SER 27 39.488 -6.836 14.143 168 HA SER 27 HA SER 27 41.420 -5.636 14.462 169 HB2 SER 27 HB2 SER 27 41.805 -5.013 11.604 170 HB3 SER 27 HB1 SER 27 42.906 -5.767 12.754 171 HG SER 27 HG SER 27 42.049 -7.154 11.036 172 H GLY 28 HN GLY 28 38.639 -4.346 13.360 173 HA2 GLY 28 HA2 GLY 28 39.687 -1.608 13.064 174 HA3 GLY 28 HA1 GLY 28 38.072 -2.142 12.610 175 H ALA 29 HN ALA 29 39.434 -3.178 15.628 176 HA ALA 29 HA ALA 29 38.091 -1.070 17.144 177 HB1 ALA 29 HB1 ALA 29 36.718 -3.407 16.591 178 HB2 ALA 29 HB2 ALA 29 36.373 -2.299 17.920 179 HB3 ALA 29 HB3 ALA 29 37.401 -3.708 18.189 180 H LEU 30 HN LEU 30 40.820 -2.463 16.647 181 HA LEU 30 HA LEU 30 41.640 -3.693 19.046 182 HB2 LEU 30 HB2 LEU 30 43.260 -2.101 17.044 183 HB3 LEU 30 HB1 LEU 30 43.932 -3.155 18.288 184 HG LEU 30 HG LEU 30 41.860 -4.295 16.460 185 HD11 LEU 30 HD11 LEU 30 44.768 -3.870 15.701 186 HD12 LEU 30 HD12 LEU 30 43.378 -3.107 14.927 187 HD13 LEU 30 HD13 LEU 30 43.611 -4.851 14.800 188 HD21 LEU 30 HD21 LEU 30 43.182 -5.371 18.492 189 HD22 LEU 30 HD22 LEU 30 44.444 -5.581 17.277 190 HD23 LEU 30 HD23 LEU 30 42.858 -6.315 17.038 191 H ILE 31 HN ILE 31 42.144 -0.335 17.936 192 HA ILE 31 HA ILE 31 42.789 0.427 20.687 193 HB ILE 31 HB ILE 31 43.536 1.386 18.037 194 HG12 ILE 31 HG12 ILE 31 44.998 0.521 19.931 195 HG13 ILE 31 HG11 ILE 31 45.534 2.016 19.171 196 HG21 ILE 31 HG21 ILE 31 43.737 3.789 18.742 197 HG22 ILE 31 HG22 ILE 31 42.682 3.442 20.107 198 HG23 ILE 31 HG23 ILE 31 42.079 3.273 18.457 199 HD11 ILE 31 HD11 ILE 31 43.704 2.407 21.459 200 HD12 ILE 31 HD12 ILE 31 45.207 3.238 21.060 201 HD13 ILE 31 HD13 ILE 31 45.253 1.675 21.873 202 HA PRO 32 HA PRO 32 39.053 3.347 19.378 203 HB2 PRO 32 HB2 PRO 32 37.502 1.306 17.870 204 HB3 PRO 32 HB1 PRO 32 37.699 3.039 17.549 205 HG2 PRO 32 HG2 PRO 32 38.921 1.194 16.065 206 HG3 PRO 32 HG1 PRO 32 39.685 2.747 16.444 207 HD2 PRO 32 HD2 PRO 32 40.243 0.044 17.591 208 HD3 PRO 32 HD1 PRO 32 41.361 1.387 17.268 209 H ALA 33 HN ALA 33 39.326 0.134 20.437 210 HA ALA 33 HA ALA 33 36.729 -0.086 21.683 211 HB1 ALA 33 HB1 ALA 33 37.996 -2.037 22.882 212 HB2 ALA 33 HB2 ALA 33 39.240 -1.728 21.672 213 HB3 ALA 33 HB3 ALA 33 37.611 -2.177 21.167 214 H ILE 34 HN ILE 34 39.956 0.934 22.614 215 HA ILE 34 HA ILE 34 39.164 1.205 25.419 216 HB ILE 34 HB ILE 34 41.785 1.649 23.979 217 HG12 ILE 34 HG12 ILE 34 41.573 -0.252 26.219 218 HG13 ILE 34 HG11 ILE 34 40.573 -0.677 24.829 219 HG21 ILE 34 HG21 ILE 34 40.879 2.300 26.760 220 HG22 ILE 34 HG22 ILE 34 41.988 3.183 25.710 221 HG23 ILE 34 HG23 ILE 34 42.526 1.714 26.524 222 HD11 ILE 34 HD11 ILE 34 43.535 -0.035 24.719 223 HD12 ILE 34 HD12 ILE 34 42.528 -0.496 23.347 224 HD13 ILE 34 HD13 ILE 34 42.840 -1.655 24.640 225 H TYR 35 HN TYR 35 39.377 3.075 22.550 226 HA TYR 35 HA TYR 35 39.778 5.638 23.758 227 HB2 TYR 35 HB2 TYR 35 39.917 4.760 21.215 228 HB3 TYR 35 HB1 TYR 35 38.297 5.456 21.196 229 HD1 TYR 35 HD1 TYR 35 38.044 7.839 22.246 230 HD2 TYR 35 HD2 TYR 35 41.780 6.160 20.951 231 HE1 TYR 35 HE1 TYR 35 39.021 10.115 22.109 232 HE2 TYR 35 HE2 TYR 35 42.755 8.436 20.813 233 HH TYR 35 HH TYR 35 40.971 11.270 21.933 234 H MET 36 HN MET 36 36.957 3.709 22.884 235 HA MET 36 HA MET 36 35.091 5.814 23.580 236 HB2 MET 36 HB2 MET 36 34.757 2.909 22.820 237 HB3 MET 36 HB1 MET 36 33.399 3.947 23.261 238 HG2 MET 36 HG2 MET 36 33.572 5.222 21.351 239 HG3 MET 36 HG1 MET 36 35.316 4.991 21.227 240 HE1 MET 36 HE1 MET 36 34.264 5.053 18.771 241 HE2 MET 36 HE2 MET 36 34.367 3.533 17.887 242 HE3 MET 36 HE3 MET 36 35.764 4.115 18.787 243 H LEU 37 HN LEU 37 36.259 2.787 25.003 244 HA LEU 37 HA LEU 37 34.561 2.554 27.175 245 HB2 LEU 37 HB2 LEU 37 36.346 0.920 26.540 246 HB3 LEU 37 HB1 LEU 37 37.545 2.032 27.194 247 HG LEU 37 HG LEU 37 36.407 1.920 29.410 248 HD11 LEU 37 HD11 LEU 37 34.871 -0.268 29.491 249 HD12 LEU 37 HD12 LEU 37 34.547 0.200 27.822 250 HD13 LEU 37 HD13 LEU 37 34.195 1.320 29.137 251 HD21 LEU 37 HD21 LEU 37 38.236 0.465 29.285 252 HD22 LEU 37 HD22 LEU 37 37.472 -0.546 28.058 253 HD23 LEU 37 HD23 LEU 37 36.925 -0.628 29.734 254 H VAL 38 HN VAL 38 37.250 4.749 26.675 255 HA VAL 38 HA VAL 38 37.184 5.726 29.412 256 HB VAL 38 HB VAL 38 38.704 6.708 26.984 257 HG11 VAL 38 HG11 VAL 38 38.548 7.586 29.841 258 HG12 VAL 38 HG12 VAL 38 38.762 8.553 28.381 259 HG13 VAL 38 HG13 VAL 38 40.118 7.637 29.038 260 HG21 VAL 38 HG21 VAL 38 39.785 5.206 29.372 261 HG22 VAL 38 HG22 VAL 38 40.541 5.447 27.796 262 HG23 VAL 38 HG23 VAL 38 39.164 4.356 27.957 263 H PHE 39 HN PHE 39 35.705 6.445 26.385 264 HA PHE 39 HA PHE 39 35.091 9.202 26.967 265 HB2 PHE 39 HB2 PHE 39 35.275 8.381 24.648 266 HB3 PHE 39 HB1 PHE 39 33.890 7.324 24.917 267 HD1 PHE 39 HD2 PHE 39 34.861 10.925 25.347 268 HD2 PHE 39 HD1 PHE 39 31.776 8.117 24.319 269 HE1 PHE 39 HE2 PHE 39 33.331 12.802 24.811 270 HE2 PHE 39 HE1 PHE 39 30.247 9.993 23.784 271 HZ PHE 39 HZ PHE 39 31.024 12.337 24.029 272 H LEU 40 HN LEU 40 32.990 6.339 26.549 273 HA LEU 40 HA LEU 40 30.707 7.519 27.706 274 HB2 LEU 40 HB2 LEU 40 29.846 5.210 27.863 275 HB3 LEU 40 HB1 LEU 40 30.575 5.526 26.288 276 HG LEU 40 HG LEU 40 32.728 4.636 27.771 277 HD11 LEU 40 HD11 LEU 40 30.981 4.035 29.553 278 HD12 LEU 40 HD12 LEU 40 32.063 2.738 29.047 279 HD13 LEU 40 HD13 LEU 40 30.414 2.803 28.426 280 HD21 LEU 40 HD21 LEU 40 30.786 3.179 25.960 281 HD22 LEU 40 HD22 LEU 40 32.303 2.464 26.505 282 HD23 LEU 40 HD23 LEU 40 32.321 3.924 25.516 283 H LEU 41 HN LEU 41 33.568 6.908 29.176 284 HA LEU 41 HA LEU 41 32.534 5.885 31.696 285 HB2 LEU 41 HB2 LEU 41 35.105 6.093 30.436 286 HB3 LEU 41 HB1 LEU 41 35.168 6.872 32.018 287 HG LEU 41 HG LEU 41 34.049 4.097 31.527 288 HD11 LEU 41 HD11 LEU 41 36.188 3.487 32.859 289 HD12 LEU 41 HD12 LEU 41 36.775 5.077 32.370 290 HD13 LEU 41 HD13 LEU 41 36.368 3.872 31.148 291 HD21 LEU 41 HD21 LEU 41 34.921 4.652 34.211 292 HD22 LEU 41 HD22 LEU 41 33.301 4.243 33.648 293 HD23 LEU 41 HD23 LEU 41 33.819 5.928 33.693 294 H GLY 42 HN GLY 42 33.044 8.915 30.179 295 HA2 GLY 42 HA2 GLY 42 32.425 10.289 32.720 296 HA3 GLY 42 HA1 GLY 42 33.710 10.891 31.677 297 H THR 43 HN THR 43 31.153 9.488 29.949 298 HA THR 43 HA THR 43 29.772 12.068 29.608 299 HB THR 43 HB THR 43 29.827 11.862 27.197 300 HG1 THR 43 HG1 THR 43 29.903 9.821 26.639 301 HG21 THR 43 HG21 THR 43 31.939 12.590 28.711 302 HG22 THR 43 HG22 THR 43 31.964 12.641 26.948 303 HG23 THR 43 HG23 THR 43 32.673 11.269 27.802 304 H THR 44 HN THR 44 28.472 10.658 27.222 305 HA THR 44 HA THR 44 26.459 9.615 26.855 306 HB THR 44 HB THR 44 26.271 7.404 28.280 307 HG1 THR 44 HG1 THR 44 28.116 6.821 29.243 308 HG21 THR 44 HG21 THR 44 28.455 7.913 26.242 309 HG22 THR 44 HG22 THR 44 26.779 7.496 25.884 310 HG23 THR 44 HG23 THR 44 27.828 6.325 26.683 311 H GLY 45 HN GLY 45 26.680 8.598 30.221 312 HA2 GLY 45 HA2 GLY 45 24.405 10.373 30.880 313 HA3 GLY 45 HA1 GLY 45 24.418 8.678 31.357 314 H ASN 46 HN ASN 46 26.838 8.197 32.334 315 HA ASN 46 HA ASN 46 27.895 8.315 34.392 316 HB2 ASN 46 HB2 ASN 46 29.256 10.328 34.625 317 HB3 ASN 46 HB1 ASN 46 29.246 9.795 32.944 318 HD21 ASN 46 HD21 ASN 46 28.160 11.142 31.374 319 HD22 ASN 46 HD22 ASN 46 27.587 12.692 31.760 320 H GLY 47 HN GLY 47 25.004 8.922 34.422 321 HA2 GLY 47 HA2 GLY 47 24.950 10.273 37.029 322 HA3 GLY 47 HA1 GLY 47 23.917 10.907 35.751 323 H LEU 48 HN LEU 48 24.645 7.972 37.603 324 HA LEU 48 HA LEU 48 23.333 6.207 38.254 325 HB2 LEU 48 HB2 LEU 48 22.056 8.334 39.095 326 HB3 LEU 48 HB1 LEU 48 20.896 7.897 37.842 327 HG LEU 48 HG LEU 48 21.186 5.479 38.928 328 HD11 LEU 48 HD11 LEU 48 21.654 5.502 41.251 329 HD12 LEU 48 HD12 LEU 48 21.523 7.258 41.343 330 HD13 LEU 48 HD13 LEU 48 22.909 6.520 40.542 331 HD21 LEU 48 HD21 LEU 48 19.048 6.599 38.758 332 HD22 LEU 48 HD22 LEU 48 19.503 7.757 40.008 333 HD23 LEU 48 HD23 LEU 48 19.239 6.066 40.428 334 H VAL 49 HN VAL 49 23.400 7.316 35.216 335 HA VAL 49 HA VAL 49 21.172 5.851 34.086 336 HB VAL 49 HB VAL 49 23.519 6.833 32.493 337 HG11 VAL 49 HG11 VAL 49 21.782 7.245 30.831 338 HG12 VAL 49 HG12 VAL 49 20.525 6.848 32.004 339 HG13 VAL 49 HG13 VAL 49 21.626 5.593 31.431 340 HG21 VAL 49 HG21 VAL 49 22.194 9.044 32.413 341 HG22 VAL 49 HG22 VAL 49 23.137 8.731 33.870 342 HG23 VAL 49 HG23 VAL 49 21.392 8.475 33.877 343 H LEU 50 HN LEU 50 24.721 5.584 33.794 344 HA LEU 50 HA LEU 50 24.742 3.092 32.508 345 HB2 LEU 50 HB2 LEU 50 27.110 2.935 33.399 346 HB3 LEU 50 HB1 LEU 50 26.740 4.386 32.477 347 HG LEU 50 HG LEU 50 26.287 5.576 34.656 348 HD11 LEU 50 HD11 LEU 50 25.894 4.028 36.327 349 HD12 LEU 50 HD12 LEU 50 27.613 4.311 36.587 350 HD13 LEU 50 HD13 LEU 50 27.082 2.884 35.701 351 HD21 LEU 50 HD21 LEU 50 28.431 5.809 33.476 352 HD22 LEU 50 HD22 LEU 50 29.044 4.370 34.290 353 HD23 LEU 50 HD23 LEU 50 28.681 5.823 35.222 354 H TRP 51 HN TRP 51 23.549 3.746 35.498 355 HA TRP 51 HA TRP 51 24.517 1.384 36.877 356 HB2 TRP 51 HB2 TRP 51 24.052 2.907 38.502 357 HB3 TRP 51 HB1 TRP 51 22.831 3.726 37.529 358 HD1 TRP 51 HD1 TRP 51 20.373 2.627 37.460 359 HE1 TRP 51 HE1 TRP 51 19.149 1.131 39.166 360 HE3 TRP 51 HE3 TRP 51 24.340 1.071 40.275 361 HZ2 TRP 51 HZ2 TRP 51 19.770 -0.509 41.425 362 HZ3 TRP 51 HZ3 TRP 51 23.996 -0.456 42.195 363 HH2 TRP 51 HH2 TRP 51 21.718 -1.248 42.774 364 H THR 52 HN THR 52 21.659 2.395 35.095 365 HA THR 52 HA THR 52 20.097 0.085 35.801 366 HB THR 52 HB THR 52 19.295 2.428 34.974 367 HG1 THR 52 HG1 THR 52 18.110 0.193 33.728 368 HG21 THR 52 HG21 THR 52 19.395 1.054 32.299 369 HG22 THR 52 HG22 THR 52 20.739 2.062 32.835 370 HG23 THR 52 HG23 THR 52 19.130 2.760 32.658 371 H VAL 53 HN VAL 53 22.418 0.896 33.340 372 HA VAL 53 HA VAL 53 21.718 -1.169 31.489 373 HB VAL 53 HB VAL 53 24.257 0.428 31.881 374 HG11 VAL 53 HG11 VAL 53 23.601 -1.867 30.130 375 HG12 VAL 53 HG12 VAL 53 25.173 -1.267 30.657 376 HG13 VAL 53 HG13 VAL 53 24.334 -0.486 29.316 377 HG21 VAL 53 HG21 VAL 53 22.384 1.785 31.155 378 HG22 VAL 53 HG22 VAL 53 21.928 0.587 29.944 379 HG23 VAL 53 HG23 VAL 53 23.421 1.505 29.757 380 H PHE 54 HN PHE 54 24.787 -0.901 33.267 381 HA PHE 54 HA PHE 54 25.692 -3.446 33.091 382 HB2 PHE 54 HB2 PHE 54 27.230 -2.410 34.360 383 HB3 PHE 54 HB1 PHE 54 26.045 -1.268 34.992 384 HD1 PHE 54 HD1 PHE 54 27.396 -4.714 35.385 385 HD2 PHE 54 HD2 PHE 54 25.061 -1.565 37.140 386 HE1 PHE 54 HE1 PHE 54 27.356 -5.945 37.538 387 HE2 PHE 54 HE2 PHE 54 25.020 -2.796 39.294 388 HZ PHE 54 HZ PHE 54 26.168 -4.985 39.493 389 H ARG 55 HN ARG 55 22.903 -2.401 34.845 390 HA ARG 55 HA ARG 55 22.709 -4.767 36.499 391 HB2 ARG 55 HB2 ARG 55 21.785 -2.532 37.165 392 HB3 ARG 55 HB1 ARG 55 20.577 -2.708 35.891 393 HG2 ARG 55 HG2 ARG 55 19.306 -3.862 37.347 394 HG3 ARG 55 HG1 ARG 55 20.522 -5.138 37.314 395 HD2 ARG 55 HD2 ARG 55 20.575 -2.735 39.160 396 HD3 ARG 55 HD1 ARG 55 20.062 -4.355 39.623 397 HE ARG 55 HE ARG 55 22.663 -4.457 38.489 398 HH11 ARG 55 HH21 ARG 55 20.913 -3.420 41.288 399 HH12 ARG 55 HH22 ARG 55 22.252 -3.616 42.369 400 HH21 ARG 55 HH11 ARG 55 24.424 -4.715 39.901 401 HH22 ARG 55 HH12 ARG 55 24.240 -4.348 41.583 402 H LYS 56 HN LYS 56 20.502 -3.438 34.023 403 HA LYS 56 HA LYS 56 18.934 -5.638 33.581 404 HB2 LYS 56 HB2 LYS 56 19.985 -3.771 31.440 405 HB3 LYS 56 HB1 LYS 56 18.543 -4.779 31.320 406 HG2 LYS 56 HG2 LYS 56 18.520 -3.160 33.743 407 HG3 LYS 56 HG1 LYS 56 18.647 -2.163 32.292 408 HD2 LYS 56 HD2 LYS 56 16.692 -3.292 31.322 409 HD3 LYS 56 HD1 LYS 56 16.573 -4.329 32.744 410 HE2 LYS 56 HE2 LYS 56 15.800 -2.619 34.100 411 HE3 LYS 56 HE1 LYS 56 16.605 -1.366 33.156 412 HZ1 LYS 56 HZ1 LYS 56 15.005 -1.789 31.362 413 HZ2 LYS 56 HZ2 LYS 56 14.248 -1.265 32.790 414 HZ3 LYS 56 HZ3 LYS 56 14.198 -2.906 32.351 415 H LYS 57 HN LYS 57 22.011 -4.902 31.943 416 HA LYS 57 HA LYS 57 22.050 -7.470 30.609 417 HB2 LYS 57 HB2 LYS 57 24.468 -5.724 30.805 418 HB3 LYS 57 HB1 LYS 57 23.868 -6.661 29.435 419 HG2 LYS 57 HG2 LYS 57 21.886 -5.054 29.373 420 HG3 LYS 57 HG1 LYS 57 22.790 -4.043 30.499 421 HD2 LYS 57 HD2 LYS 57 23.637 -4.874 27.711 422 HD3 LYS 57 HD1 LYS 57 23.248 -3.244 28.264 423 HE2 LYS 57 HE2 LYS 57 25.157 -3.624 29.994 424 HE3 LYS 57 HE1 LYS 57 25.658 -4.929 28.918 425 HZ1 LYS 57 HZ1 LYS 57 25.527 -3.211 27.088 426 HZ2 LYS 57 HZ2 LYS 57 26.810 -3.046 28.190 427 HZ3 LYS 57 HZ3 LYS 57 25.445 -2.041 28.313 428 H GLY 58 HN GLY 58 21.800 -7.974 33.266 429 HA2 GLY 58 HA2 GLY 58 23.883 -8.199 34.978 430 HA3 GLY 58 HA1 GLY 58 22.709 -9.495 34.766 431 H HIS 59 HN HIS 59 23.511 -9.902 31.948 432 HA HIS 59 HA HIS 59 25.520 -11.878 32.379 433 HB2 HIS 59 HB2 HIS 59 24.874 -10.822 29.651 434 HB3 HIS 59 HB1 HIS 59 25.174 -12.482 30.165 435 HD2 HIS 59 HD2 HIS 59 22.932 -13.624 31.704 436 HE1 HIS 59 HE1 HIS 59 20.138 -10.866 30.151 437 HE2 HIS 59 HE2 HIS 59 20.400 -13.043 31.431 438 H HIS 60 HN HIS 60 25.530 -8.772 30.634 439 HA HIS 60 HA HIS 60 27.254 -7.438 29.912 440 HB2 HIS 60 HB2 HIS 60 27.391 -7.393 32.490 441 HB3 HIS 60 HB1 HIS 60 28.800 -8.435 32.292 442 HD2 HIS 60 HD2 HIS 60 31.125 -7.069 31.630 443 HE1 HIS 60 HE1 HIS 60 29.349 -3.371 30.629 444 HE2 HIS 60 HE2 HIS 60 31.557 -4.586 30.947 445 H HIS 61 HN HIS 61 28.104 -8.195 28.059 446 HA HIS 61 HA HIS 61 30.364 -10.091 28.274 447 HB2 HIS 61 HB2 HIS 61 28.114 -10.050 26.264 448 HB3 HIS 61 HB1 HIS 61 29.641 -10.875 25.955 449 HD2 HIS 61 HD2 HIS 61 26.365 -11.445 27.942 450 HE1 HIS 61 HE1 HIS 61 29.015 -14.552 29.011 451 HE2 HIS 61 HE2 HIS 61 26.619 -13.730 29.181 452 H HIS 62 HN HIS 62 32.055 -9.787 26.768 453 HA HIS 62 HA HIS 62 32.763 -7.148 26.214 454 HB2 HIS 62 HB2 HIS 62 34.121 -9.442 26.166 455 HB3 HIS 62 HB1 HIS 62 33.816 -9.298 24.436 456 HD2 HIS 62 HD2 HIS 62 36.399 -8.076 26.883 457 HE1 HIS 62 HE1 HIS 62 36.381 -5.183 23.809 458 HE2 HIS 62 HE2 HIS 62 37.647 -6.034 25.838 459 H HIS 63 HN HIS 63 31.231 -5.960 25.133 460 HA HIS 63 HA HIS 63 29.973 -6.891 22.727 461 HB2 HIS 63 HB2 HIS 63 28.846 -4.806 22.699 462 HB3 HIS 63 HB1 HIS 63 29.019 -5.214 24.407 463 HD2 HIS 63 HD2 HIS 63 29.465 -2.136 22.433 464 HE1 HIS 63 HE1 HIS 63 32.637 -1.958 25.213 465 HE2 HIS 63 HE2 HIS 63 31.286 -0.620 23.530 466 H HIS 64 HN HIS 64 30.014 -4.912 20.941 467 HA HIS 64 HA HIS 64 32.329 -5.288 19.460 468 HB2 HIS 64 HB2 HIS 64 30.345 -4.427 18.403 469 HB3 HIS 64 HB1 HIS 64 30.362 -2.991 19.426 470 HD2 HIS 64 HD2 HIS 64 31.163 -0.974 17.708 471 HE1 HIS 64 HE1 HIS 64 34.389 -3.000 15.889 472 HE2 HIS 64 HE2 HIS 64 33.153 -0.786 16.029 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 60.245 -3.085 -8.412 2 H2 MET 1 HT2 MET 1 61.366 -2.158 -9.291 3 H3 MET 1 HT3 MET 1 60.578 -1.490 -7.942 4 HA MET 1 HA MET 1 62.061 -3.929 -7.430 5 HB2 MET 1 HB2 MET 1 63.458 -1.304 -8.041 6 HB3 MET 1 HB1 MET 1 64.226 -2.757 -7.399 7 HG2 MET 1 HG2 MET 1 62.711 -3.457 -9.739 8 HG3 MET 1 HG1 MET 1 63.773 -2.102 -10.123 9 HE1 MET 1 HE1 MET 1 64.599 -3.536 -11.795 10 HE2 MET 1 HE2 MET 1 64.314 -5.240 -11.449 11 HE3 MET 1 HE3 MET 1 65.964 -4.646 -11.613 12 H GLU 2 HN GLU 2 63.298 -3.523 -5.340 13 HA GLU 2 HA GLU 2 61.599 -1.896 -3.575 14 HB2 GLU 2 HB2 GLU 2 63.697 -3.879 -2.704 15 HB3 GLU 2 HB1 GLU 2 62.305 -3.287 -1.797 16 HG2 GLU 2 HG2 GLU 2 60.837 -4.357 -3.578 17 HG3 GLU 2 HG1 GLU 2 62.294 -5.137 -4.192 18 H GLU 3 HN GLU 3 62.991 -0.129 -4.826 19 HA GLU 3 HA GLU 3 65.113 0.645 -2.940 20 HB2 GLU 3 HB2 GLU 3 65.353 0.379 -5.921 21 HB3 GLU 3 HB1 GLU 3 66.307 1.588 -5.062 22 HG2 GLU 3 HG2 GLU 3 66.234 -1.272 -4.117 23 HG3 GLU 3 HG1 GLU 3 67.340 -0.773 -5.397 24 H GLY 4 HN GLY 4 63.391 2.016 -2.124 25 HA2 GLY 4 HA2 GLY 4 63.526 4.647 -2.617 26 HA3 GLY 4 HA1 GLY 4 62.388 4.129 -3.858 27 H GLY 5 HN GLY 5 60.798 2.338 -2.719 28 HA2 GLY 5 HA2 GLY 5 58.950 2.102 -1.369 29 HA3 GLY 5 HA1 GLY 5 59.959 2.739 -0.075 30 H ASP 6 HN ASP 6 57.306 3.352 -0.069 31 HA ASP 6 HA ASP 6 57.383 6.248 -0.409 32 HB2 ASP 6 HB2 ASP 6 55.756 4.432 -2.083 33 HB3 ASP 6 HB1 ASP 6 54.904 5.821 -1.411 34 H PHE 7 HN PHE 7 56.521 7.168 1.337 35 HA PHE 7 HA PHE 7 55.458 5.733 3.490 36 HB2 PHE 7 HB2 PHE 7 55.494 8.630 2.722 37 HB3 PHE 7 HB1 PHE 7 54.523 8.112 4.101 38 HD1 PHE 7 HD2 PHE 7 57.942 8.354 2.728 39 HD2 PHE 7 HD1 PHE 7 55.554 7.250 6.123 40 HE1 PHE 7 HE2 PHE 7 59.984 8.253 4.131 41 HE2 PHE 7 HE1 PHE 7 57.596 7.149 7.527 42 HZ PHE 7 HZ PHE 7 59.812 7.651 6.531 43 H ASP 8 HN ASP 8 53.395 5.319 4.204 44 HA ASP 8 HA ASP 8 51.093 6.292 2.717 45 HB2 ASP 8 HB2 ASP 8 51.932 4.262 1.464 46 HB3 ASP 8 HB1 ASP 8 51.565 3.312 2.903 47 H ASN 9 HN ASN 9 51.718 6.880 5.290 48 HA ASN 9 HA ASN 9 49.624 5.434 6.767 49 HB2 ASN 9 HB2 ASN 9 51.771 4.464 7.468 50 HB3 ASN 9 HB1 ASN 9 52.372 6.072 7.865 51 HD21 ASN 9 HD21 ASN 9 52.144 6.601 10.036 52 HD22 ASN 9 HD22 ASN 9 50.957 5.970 11.073 53 H TYR 10 HN TYR 10 49.254 7.861 5.531 54 HA TYR 10 HA TYR 10 49.852 10.162 7.000 55 HB2 TYR 10 HB2 TYR 10 47.815 9.390 4.990 56 HB3 TYR 10 HB1 TYR 10 47.436 10.800 5.980 57 HD1 TYR 10 HD2 TYR 10 50.147 9.312 3.875 58 HD2 TYR 10 HD1 TYR 10 48.417 12.887 5.510 59 HE1 TYR 10 HE2 TYR 10 51.706 10.685 2.522 60 HE2 TYR 10 HE1 TYR 10 49.976 14.260 4.156 61 HH TYR 10 HH TYR 10 52.651 12.866 2.459 62 H TYR 11 HN TYR 11 48.104 11.510 8.127 63 HA TYR 11 HA TYR 11 47.384 10.276 10.535 64 HB2 TYR 11 HB2 TYR 11 45.754 12.333 10.641 65 HB3 TYR 11 HB1 TYR 11 47.498 12.591 10.687 66 HD1 TYR 11 HD2 TYR 11 44.582 12.443 8.357 67 HD2 TYR 11 HD1 TYR 11 48.573 13.882 9.030 68 HE1 TYR 11 HE2 TYR 11 44.436 13.809 6.292 69 HE2 TYR 11 HE1 TYR 11 48.427 15.249 6.966 70 HH TYR 11 HH TYR 11 45.646 16.028 5.470 71 H GLY 12 HN GLY 12 45.118 10.129 11.395 72 HA2 GLY 12 HA2 GLY 12 43.463 8.670 9.452 73 HA3 GLY 12 HA1 GLY 12 43.341 8.558 11.205 74 H ALA 13 HN ALA 13 41.315 9.190 11.677 75 HA ALA 13 HA ALA 13 39.407 10.470 11.785 76 HB1 ALA 13 HB1 ALA 13 39.755 12.838 12.106 77 HB2 ALA 13 HB2 ALA 13 41.326 12.760 11.307 78 HB3 ALA 13 HB3 ALA 13 41.091 11.978 12.870 79 H ASP 14 HN ASP 14 39.280 9.335 9.479 80 HA ASP 14 HA ASP 14 38.479 11.472 7.618 81 HB2 ASP 14 HB2 ASP 14 40.785 10.292 7.121 82 HB3 ASP 14 HB1 ASP 14 39.752 9.000 6.514 83 H ASN 15 HN ASN 15 36.787 10.070 9.329 84 HA ASN 15 HA ASN 15 35.038 8.795 7.389 85 HB2 ASN 15 HB2 ASN 15 36.168 7.302 9.761 86 HB3 ASN 15 HB1 ASN 15 34.714 6.796 8.902 87 HD21 ASN 15 HD21 ASN 15 38.230 7.122 8.628 88 HD22 ASN 15 HD22 ASN 15 38.372 6.231 7.191 89 H GLN 16 HN GLN 16 34.799 11.218 8.763 90 HA GLN 16 HA GLN 16 33.188 10.907 11.122 91 HB2 GLN 16 HB2 GLN 16 32.708 13.369 10.712 92 HB3 GLN 16 HB1 GLN 16 34.408 12.947 10.923 93 HG2 GLN 16 HG2 GLN 16 33.598 12.704 8.140 94 HG3 GLN 16 HG1 GLN 16 33.296 14.328 8.756 95 HE21 GLN 16 HE21 GLN 16 35.914 11.836 8.900 96 HE22 GLN 16 HE22 GLN 16 37.179 12.958 8.756 97 H SER 17 HN SER 17 32.371 9.555 8.557 98 HA SER 17 HA SER 17 29.579 10.489 8.592 99 HB2 SER 17 HB2 SER 17 30.709 11.455 6.592 100 HB3 SER 17 HB1 SER 17 31.102 9.823 6.062 101 HG SER 17 HG SER 17 28.504 10.876 6.540 102 H GLU 18 HN GLU 18 28.386 8.778 6.950 103 HA GLU 18 HA GLU 18 28.482 6.300 8.378 104 HB2 GLU 18 HB2 GLU 18 26.459 7.433 7.224 105 HB3 GLU 18 HB1 GLU 18 27.074 6.688 5.749 106 HG2 GLU 18 HG2 GLU 18 27.063 4.477 6.921 107 HG3 GLU 18 HG1 GLU 18 26.302 5.258 8.306 108 H CYS 19 HN CYS 19 30.924 6.194 7.767 109 HA CYS 19 HA CYS 19 31.131 4.342 5.485 110 HB2 CYS 19 HB2 CYS 19 32.052 6.895 5.264 111 HB3 CYS 19 HB1 CYS 19 33.478 6.081 5.909 112 HG CYS 19 HG CYS 19 33.744 5.536 3.464 113 H GLU 20 HN GLU 20 33.672 3.583 5.593 114 HA GLU 20 HA GLU 20 35.151 2.225 6.708 115 HB2 GLU 20 HB2 GLU 20 34.885 4.542 8.255 116 HB3 GLU 20 HB1 GLU 20 34.730 3.210 9.401 117 HG2 GLU 20 HG2 GLU 20 36.807 2.203 8.451 118 HG3 GLU 20 HG1 GLU 20 36.983 3.619 7.415 119 H TYR 21 HN TYR 21 31.937 2.108 7.092 120 HA TYR 21 HA TYR 21 31.635 0.379 9.351 121 HB2 TYR 21 HB2 TYR 21 29.397 0.371 8.836 122 HB3 TYR 21 HB1 TYR 21 29.879 1.821 7.957 123 HD1 TYR 21 HD1 TYR 21 30.652 1.499 5.493 124 HD2 TYR 21 HD2 TYR 21 28.380 -1.408 7.690 125 HE1 TYR 21 HE1 TYR 21 29.934 0.452 3.362 126 HE2 TYR 21 HE2 TYR 21 27.661 -2.457 5.560 127 HH TYR 21 HH TYR 21 27.620 -2.245 3.331 128 H THR 22 HN THR 22 33.493 -0.217 6.892 129 HA THR 22 HA THR 22 32.496 -2.915 6.269 130 HB THR 22 HB THR 22 34.679 -1.228 5.029 131 HG1 THR 22 HG1 THR 22 32.132 -1.264 4.672 132 HG21 THR 22 HG21 THR 22 33.897 -4.110 4.653 133 HG22 THR 22 HG22 THR 22 35.510 -3.413 4.807 134 HG23 THR 22 HG23 THR 22 34.589 -3.187 3.320 135 H ASP 23 HN ASP 23 35.116 -1.194 7.841 136 HA ASP 23 HA ASP 23 36.594 -3.665 8.338 137 HB2 ASP 23 HB2 ASP 23 38.382 -2.339 8.920 138 HB3 ASP 23 HB1 ASP 23 37.535 -1.238 7.835 139 H TRP 24 HN TRP 24 33.885 -3.076 9.497 140 HA TRP 24 HA TRP 24 33.821 -2.381 12.134 141 HB2 TRP 24 HB2 TRP 24 32.144 -4.472 12.249 142 HB3 TRP 24 HB1 TRP 24 31.731 -2.971 11.429 143 HD1 TRP 24 HD1 TRP 24 34.195 -5.535 9.992 144 HE1 TRP 24 HE1 TRP 24 33.226 -6.458 7.792 145 HE3 TRP 24 HE3 TRP 24 29.578 -3.354 10.082 146 HZ2 TRP 24 HZ2 TRP 24 30.810 -6.293 6.268 147 HZ3 TRP 24 HZ3 TRP 24 27.964 -3.753 8.244 148 HH2 TRP 24 HH2 TRP 24 28.574 -5.219 6.339 149 H LYS 25 HN LYS 25 33.452 -5.824 11.848 150 HA LYS 25 HA LYS 25 35.355 -6.207 14.022 151 HB2 LYS 25 HB2 LYS 25 34.511 -8.579 13.915 152 HB3 LYS 25 HB1 LYS 25 33.274 -7.369 14.255 153 HG2 LYS 25 HG2 LYS 25 32.136 -7.935 12.399 154 HG3 LYS 25 HG1 LYS 25 33.572 -7.693 11.402 155 HD2 LYS 25 HD2 LYS 25 34.366 -9.959 12.022 156 HD3 LYS 25 HD1 LYS 25 32.895 -10.202 12.966 157 HE2 LYS 25 HE2 LYS 25 32.207 -9.278 10.321 158 HE3 LYS 25 HE1 LYS 25 33.257 -10.691 10.202 159 HZ1 LYS 25 HZ1 LYS 25 31.196 -10.874 12.220 160 HZ2 LYS 25 HZ2 LYS 25 31.706 -12.023 11.078 161 HZ3 LYS 25 HZ3 LYS 25 30.614 -10.801 10.628 162 H SER 26 HN SER 26 36.815 -5.395 11.956 163 HA SER 26 HA SER 26 37.840 -7.773 10.565 164 HB2 SER 26 HB2 SER 26 37.713 -4.918 9.973 165 HB3 SER 26 HB1 SER 26 39.317 -5.592 9.702 166 HG SER 26 HG SER 26 38.378 -6.165 7.881 167 H SER 27 HN SER 27 39.212 -4.911 12.214 168 HA SER 27 HA SER 27 40.848 -6.390 13.979 169 HB2 SER 27 HB2 SER 27 42.051 -5.634 11.339 170 HB3 SER 27 HB1 SER 27 43.051 -5.633 12.788 171 HG SER 27 HG SER 27 42.092 -7.714 11.334 172 H GLY 28 HN GLY 28 40.281 -3.449 12.155 173 HA2 GLY 28 HA2 GLY 28 41.861 -1.603 13.462 174 HA3 GLY 28 HA1 GLY 28 40.256 -1.244 12.832 175 H ALA 29 HN ALA 29 39.511 -3.584 14.851 176 HA ALA 29 HA ALA 29 38.572 -1.815 16.905 177 HB1 ALA 29 HB1 ALA 29 37.837 -4.010 17.975 178 HB2 ALA 29 HB2 ALA 29 38.493 -4.811 16.547 179 HB3 ALA 29 HB3 ALA 29 37.167 -3.659 16.382 180 H LEU 30 HN LEU 30 41.552 -2.245 16.478 181 HA LEU 30 HA LEU 30 42.260 -3.192 19.186 182 HB2 LEU 30 HB2 LEU 30 43.846 -3.012 16.624 183 HB3 LEU 30 HB1 LEU 30 44.612 -3.261 18.193 184 HG LEU 30 HG LEU 30 42.307 -5.019 17.440 185 HD11 LEU 30 HD11 LEU 30 43.750 -5.035 15.440 186 HD12 LEU 30 HD12 LEU 30 43.862 -6.570 16.302 187 HD13 LEU 30 HD13 LEU 30 45.154 -5.379 16.451 188 HD21 LEU 30 HD21 LEU 30 43.790 -4.895 19.658 189 HD22 LEU 30 HD22 LEU 30 44.868 -5.915 18.706 190 HD23 LEU 30 HD23 LEU 30 43.215 -6.440 19.030 191 H ILE 31 HN ILE 31 41.193 -0.795 19.351 192 HA ILE 31 HA ILE 31 43.003 0.835 20.597 193 HB ILE 31 HB ILE 31 43.288 1.093 17.725 194 HG12 ILE 31 HG12 ILE 31 45.080 0.974 19.500 195 HG13 ILE 31 HG11 ILE 31 45.281 2.300 18.361 196 HG21 ILE 31 HG21 ILE 31 41.639 2.896 17.826 197 HG22 ILE 31 HG22 ILE 31 43.245 3.575 17.611 198 HG23 ILE 31 HG23 ILE 31 42.477 3.632 19.192 199 HD11 ILE 31 HD11 ILE 31 45.080 3.845 19.995 200 HD12 ILE 31 HD12 ILE 31 45.251 2.512 21.137 201 HD13 ILE 31 HD13 ILE 31 43.646 3.066 20.663 202 HA PRO 32 HA PRO 32 38.947 3.262 19.517 203 HB2 PRO 32 HB2 PRO 32 37.188 1.182 18.411 204 HB3 PRO 32 HB1 PRO 32 37.550 2.799 17.781 205 HG2 PRO 32 HG2 PRO 32 38.430 0.545 16.601 206 HG3 PRO 32 HG1 PRO 32 39.334 2.069 16.560 207 HD2 PRO 32 HD2 PRO 32 39.802 -0.355 18.263 208 HD3 PRO 32 HD1 PRO 32 40.987 0.714 17.480 209 H ALA 33 HN ALA 33 38.615 -0.197 20.265 210 HA ALA 33 HA ALA 33 36.429 -0.036 22.014 211 HB1 ALA 33 HB1 ALA 33 38.696 -1.968 22.435 212 HB2 ALA 33 HB2 ALA 33 37.628 -2.116 21.039 213 HB3 ALA 33 HB3 ALA 33 36.967 -2.223 22.670 214 H ILE 34 HN ILE 34 39.609 1.128 22.366 215 HA ILE 34 HA ILE 34 39.423 1.178 25.303 216 HB ILE 34 HB ILE 34 41.673 1.569 23.348 217 HG12 ILE 34 HG12 ILE 34 42.723 -0.142 24.788 218 HG13 ILE 34 HG11 ILE 34 41.310 -0.122 25.844 219 HG21 ILE 34 HG21 ILE 34 42.090 3.394 24.774 220 HG22 ILE 34 HG22 ILE 34 43.005 2.087 25.525 221 HG23 ILE 34 HG23 ILE 34 41.438 2.559 26.184 222 HD11 ILE 34 HD11 ILE 34 39.952 -1.175 24.279 223 HD12 ILE 34 HD12 ILE 34 41.506 -1.930 23.926 224 HD13 ILE 34 HD13 ILE 34 40.916 -0.613 22.913 225 H TYR 35 HN TYR 35 39.263 3.188 22.475 226 HA TYR 35 HA TYR 35 39.651 5.692 23.826 227 HB2 TYR 35 HB2 TYR 35 39.489 4.840 21.164 228 HB3 TYR 35 HB1 TYR 35 38.090 5.889 21.393 229 HD1 TYR 35 HD2 TYR 35 38.502 8.163 22.583 230 HD2 TYR 35 HD1 TYR 35 41.619 5.776 20.838 231 HE1 TYR 35 HE2 TYR 35 39.977 10.154 22.494 232 HE2 TYR 35 HE1 TYR 35 43.094 7.768 20.749 233 HH TYR 35 HH TYR 35 42.045 10.842 20.981 234 H MET 36 HN MET 36 36.809 3.901 22.650 235 HA MET 36 HA MET 36 34.920 5.827 23.601 236 HB2 MET 36 HB2 MET 36 34.583 2.919 22.826 237 HB3 MET 36 HB1 MET 36 33.255 4.033 23.155 238 HG2 MET 36 HG2 MET 36 33.465 5.056 21.144 239 HG3 MET 36 HG1 MET 36 35.225 5.098 21.254 240 HE1 MET 36 HE1 MET 36 35.264 3.328 17.977 241 HE2 MET 36 HE2 MET 36 36.250 4.229 19.126 242 HE3 MET 36 HE3 MET 36 34.681 4.862 18.635 243 H LEU 37 HN LEU 37 36.378 2.908 24.920 244 HA LEU 37 HA LEU 37 34.671 2.511 27.115 245 HB2 LEU 37 HB2 LEU 37 37.358 1.651 26.299 246 HB3 LEU 37 HB1 LEU 37 37.149 1.744 28.047 247 HG LEU 37 HG LEU 37 36.546 -0.495 27.066 248 HD11 LEU 37 HD11 LEU 37 35.232 -0.654 28.882 249 HD12 LEU 37 HD12 LEU 37 33.927 0.155 28.016 250 HD13 LEU 37 HD13 LEU 37 35.093 1.103 28.936 251 HD21 LEU 37 HD21 LEU 37 35.019 -0.712 25.395 252 HD22 LEU 37 HD22 LEU 37 35.343 0.995 25.097 253 HD23 LEU 37 HD23 LEU 37 33.958 0.519 26.079 254 H VAL 38 HN VAL 38 37.003 4.954 26.478 255 HA VAL 38 HA VAL 38 37.047 5.778 29.310 256 HB VAL 38 HB VAL 38 38.749 6.689 26.977 257 HG11 VAL 38 HG11 VAL 38 40.113 7.599 29.006 258 HG12 VAL 38 HG12 VAL 38 38.586 7.476 29.879 259 HG13 VAL 38 HG13 VAL 38 38.708 8.513 28.459 260 HG21 VAL 38 HG21 VAL 38 39.511 5.034 29.399 261 HG22 VAL 38 HG22 VAL 38 40.505 5.380 27.984 262 HG23 VAL 38 HG23 VAL 38 39.097 4.328 27.837 263 H PHE 39 HN PHE 39 35.679 6.521 26.263 264 HA PHE 39 HA PHE 39 35.234 9.329 26.762 265 HB2 PHE 39 HB2 PHE 39 35.324 7.976 24.486 266 HB3 PHE 39 HB1 PHE 39 33.598 7.785 24.796 267 HD1 PHE 39 HD1 PHE 39 32.292 9.956 25.455 268 HD2 PHE 39 HD2 PHE 39 36.106 9.943 23.479 269 HE1 PHE 39 HE1 PHE 39 31.891 12.272 24.665 270 HE2 PHE 39 HE2 PHE 39 35.704 12.259 22.688 271 HZ PHE 39 HZ PHE 39 33.596 13.424 23.281 272 H LEU 40 HN LEU 40 32.900 6.672 26.264 273 HA LEU 40 HA LEU 40 30.689 7.971 27.353 274 HB2 LEU 40 HB2 LEU 40 29.718 5.716 27.628 275 HB3 LEU 40 HB1 LEU 40 30.503 5.898 26.059 276 HG LEU 40 HG LEU 40 32.571 5.009 27.656 277 HD11 LEU 40 HD11 LEU 40 30.158 3.329 28.360 278 HD12 LEU 40 HD12 LEU 40 30.752 4.606 29.422 279 HD13 LEU 40 HD13 LEU 40 31.786 3.231 29.032 280 HD21 LEU 40 HD21 LEU 40 32.241 2.863 26.461 281 HD22 LEU 40 HD22 LEU 40 32.021 4.240 25.380 282 HD23 LEU 40 HD23 LEU 40 30.616 3.376 26.004 283 H LEU 41 HN LEU 41 33.235 6.109 28.930 284 HA LEU 41 HA LEU 41 32.137 5.735 31.450 285 HB2 LEU 41 HB2 LEU 41 34.775 5.712 30.278 286 HB3 LEU 41 HB1 LEU 41 34.825 6.443 31.882 287 HG LEU 41 HG LEU 41 33.461 3.806 31.276 288 HD11 LEU 41 HD11 LEU 41 36.263 4.443 31.580 289 HD12 LEU 41 HD12 LEU 41 35.513 2.877 31.268 290 HD13 LEU 41 HD13 LEU 41 35.726 3.438 32.926 291 HD21 LEU 41 HD21 LEU 41 33.325 5.586 33.469 292 HD22 LEU 41 HD22 LEU 41 34.343 4.245 33.995 293 HD23 LEU 41 HD23 LEU 41 32.712 3.933 33.399 294 H GLY 42 HN GLY 42 33.574 8.621 30.035 295 HA2 GLY 42 HA2 GLY 42 33.144 10.110 32.535 296 HA3 GLY 42 HA1 GLY 42 34.082 10.665 31.151 297 H THR 43 HN THR 43 31.362 9.271 29.927 298 HA THR 43 HA THR 43 29.739 11.725 30.103 299 HB THR 43 HB THR 43 30.063 10.262 27.496 300 HG1 THR 43 HG1 THR 43 31.890 11.232 27.144 301 HG21 THR 43 HG21 THR 43 29.658 13.188 27.681 302 HG22 THR 43 HG22 THR 43 28.331 12.200 28.292 303 HG23 THR 43 HG23 THR 43 28.881 12.006 26.628 304 H THR 44 HN THR 44 28.090 10.438 27.899 305 HA THR 44 HA THR 44 26.276 9.036 27.698 306 HB THR 44 HB THR 44 26.887 7.291 29.968 307 HG1 THR 44 HG1 THR 44 28.874 8.181 28.301 308 HG21 THR 44 HG21 THR 44 26.612 5.584 28.279 309 HG22 THR 44 HG22 THR 44 26.798 6.770 26.986 310 HG23 THR 44 HG23 THR 44 25.370 6.809 28.020 311 H GLY 45 HN GLY 45 27.081 10.709 30.510 312 HA2 GLY 45 HA2 GLY 45 24.949 11.860 31.368 313 HA3 GLY 45 HA1 GLY 45 24.452 10.214 31.750 314 H ASN 46 HN ASN 46 27.748 11.411 32.019 315 HA ASN 46 HA ASN 46 27.512 11.449 34.956 316 HB2 ASN 46 HB2 ASN 46 29.595 9.940 33.361 317 HB3 ASN 46 HB1 ASN 46 29.669 10.207 35.101 318 HD21 ASN 46 HD21 ASN 46 27.601 8.719 32.567 319 HD22 ASN 46 HD22 ASN 46 26.905 7.567 33.601 320 H GLY 47 HN GLY 47 27.618 13.741 34.762 321 HA2 GLY 47 HA2 GLY 47 30.031 14.945 35.224 322 HA3 GLY 47 HA1 GLY 47 29.844 15.031 33.476 323 H LEU 48 HN LEU 48 26.837 15.126 33.907 324 HA LEU 48 HA LEU 48 26.567 17.847 34.997 325 HB2 LEU 48 HB2 LEU 48 26.458 17.138 32.208 326 HB3 LEU 48 HB1 LEU 48 24.880 17.721 32.739 327 HG LEU 48 HG LEU 48 27.490 19.161 33.287 328 HD11 LEU 48 HD11 LEU 48 25.369 19.649 31.173 329 HD12 LEU 48 HD12 LEU 48 27.036 19.153 30.884 330 HD13 LEU 48 HD13 LEU 48 26.694 20.754 31.540 331 HD21 LEU 48 HD21 LEU 48 24.894 19.383 34.399 332 HD22 LEU 48 HD22 LEU 48 25.086 20.760 33.314 333 HD23 LEU 48 HD23 LEU 48 26.247 20.493 34.615 334 H VAL 49 HN VAL 49 25.332 14.700 34.432 335 HA VAL 49 HA VAL 49 22.586 15.328 35.111 336 HB VAL 49 HB VAL 49 23.841 12.586 35.076 337 HG11 VAL 49 HG11 VAL 49 21.309 13.441 35.711 338 HG12 VAL 49 HG12 VAL 49 21.697 11.832 35.101 339 HG13 VAL 49 HG13 VAL 49 21.147 13.086 33.990 340 HG21 VAL 49 HG21 VAL 49 24.498 13.561 32.981 341 HG22 VAL 49 HG22 VAL 49 22.924 14.329 32.773 342 HG23 VAL 49 HG23 VAL 49 23.074 12.576 32.644 343 H LEU 50 HN LEU 50 25.496 14.449 36.768 344 HA LEU 50 HA LEU 50 24.022 13.776 39.219 345 HB2 LEU 50 HB2 LEU 50 26.511 13.425 40.010 346 HB3 LEU 50 HB1 LEU 50 25.716 12.215 39.004 347 HG LEU 50 HG LEU 50 26.745 13.155 36.995 348 HD11 LEU 50 HD11 LEU 50 27.751 15.227 38.951 349 HD12 LEU 50 HD12 LEU 50 26.861 15.484 37.451 350 HD13 LEU 50 HD13 LEU 50 28.543 14.955 37.400 351 HD21 LEU 50 HD21 LEU 50 29.234 13.125 38.403 352 HD22 LEU 50 HD22 LEU 50 28.504 11.827 37.457 353 HD23 LEU 50 HD23 LEU 50 28.157 11.965 39.181 354 H TRP 51 HN TRP 51 24.867 16.517 37.767 355 HA TRP 51 HA TRP 51 26.053 17.857 40.082 356 HB2 TRP 51 HB2 TRP 51 27.005 19.104 38.485 357 HB3 TRP 51 HB1 TRP 51 26.050 18.290 37.246 358 HD1 TRP 51 HD1 TRP 51 23.559 19.312 36.780 359 HE1 TRP 51 HE1 TRP 51 22.726 21.748 36.925 360 HE3 TRP 51 HE3 TRP 51 27.263 21.339 39.651 361 HZ2 TRP 51 HZ2 TRP 51 23.528 24.228 38.104 362 HZ3 TRP 51 HZ3 TRP 51 27.204 23.738 40.269 363 HH2 TRP 51 HH2 TRP 51 25.342 25.184 39.499 364 H THR 52 HN THR 52 23.025 17.598 38.347 365 HA THR 52 HA THR 52 21.794 19.809 39.764 366 HB THR 52 HB THR 52 20.862 17.799 37.735 367 HG1 THR 52 HG1 THR 52 20.366 20.532 37.654 368 HG21 THR 52 HG21 THR 52 19.199 19.485 39.591 369 HG22 THR 52 HG22 THR 52 18.960 17.805 39.111 370 HG23 THR 52 HG23 THR 52 18.622 19.105 37.969 371 H VAL 53 HN VAL 53 22.030 16.336 40.048 372 HA VAL 53 HA VAL 53 19.843 15.844 41.746 373 HB VAL 53 HB VAL 53 22.521 14.471 41.472 374 HG11 VAL 53 HG11 VAL 53 20.242 14.012 43.344 375 HG12 VAL 53 HG12 VAL 53 21.963 13.704 43.574 376 HG13 VAL 53 HG13 VAL 53 20.990 12.593 42.612 377 HG21 VAL 53 HG21 VAL 53 21.051 14.326 39.517 378 HG22 VAL 53 HG22 VAL 53 19.708 13.816 40.540 379 HG23 VAL 53 HG23 VAL 53 21.106 12.762 40.331 380 H PHE 54 HN PHE 54 23.205 16.732 42.480 381 HA PHE 54 HA PHE 54 22.865 16.679 45.314 382 HB2 PHE 54 HB2 PHE 54 25.098 16.680 45.060 383 HB3 PHE 54 HB1 PHE 54 24.981 17.308 43.416 384 HD1 PHE 54 HD2 PHE 54 24.878 18.309 47.008 385 HD2 PHE 54 HD1 PHE 54 25.408 19.591 42.942 386 HE1 PHE 54 HE2 PHE 54 25.597 20.544 47.805 387 HE2 PHE 54 HE1 PHE 54 26.128 21.825 43.741 388 HZ PHE 54 HZ PHE 54 26.222 22.302 46.172 389 H ARG 55 HN ARG 55 22.045 18.934 42.856 390 HA ARG 55 HA ARG 55 22.016 21.256 44.590 391 HB2 ARG 55 HB2 ARG 55 21.009 20.777 41.778 392 HB3 ARG 55 HB1 ARG 55 20.879 22.326 42.611 393 HG2 ARG 55 HG2 ARG 55 23.567 21.125 42.717 394 HG3 ARG 55 HG1 ARG 55 23.032 21.559 41.094 395 HD2 ARG 55 HD2 ARG 55 24.238 23.387 42.438 396 HD3 ARG 55 HD1 ARG 55 22.709 23.831 41.685 397 HE ARG 55 HE ARG 55 21.940 23.025 44.158 398 HH11 ARG 55 HH21 ARG 55 24.388 25.165 42.979 399 HH12 ARG 55 HH22 ARG 55 24.343 26.204 44.365 400 HH21 ARG 55 HH11 ARG 55 21.874 24.381 45.979 401 HH22 ARG 55 HH12 ARG 55 22.920 25.759 46.064 402 H LYS 56 HN LYS 56 19.491 19.450 42.817 403 HA LYS 56 HA LYS 56 17.257 20.642 43.926 404 HB2 LYS 56 HB2 LYS 56 17.515 17.694 43.290 405 HB3 LYS 56 HB1 LYS 56 16.034 18.652 43.307 406 HG2 LYS 56 HG2 LYS 56 17.864 20.004 41.609 407 HG3 LYS 56 HG1 LYS 56 17.910 18.298 41.157 408 HD2 LYS 56 HD2 LYS 56 15.403 18.312 41.069 409 HD3 LYS 56 HD1 LYS 56 15.446 20.053 41.355 410 HE2 LYS 56 HE2 LYS 56 16.969 20.221 39.317 411 HE3 LYS 56 HE1 LYS 56 16.553 18.541 38.981 412 HZ1 LYS 56 HZ1 LYS 56 14.139 19.568 39.374 413 HZ2 LYS 56 HZ2 LYS 56 14.882 19.502 37.847 414 HZ3 LYS 56 HZ3 LYS 56 14.926 20.937 38.755 415 H LYS 57 HN LYS 57 18.948 17.732 45.117 416 HA LYS 57 HA LYS 57 17.349 17.530 47.481 417 HB2 LYS 57 HB2 LYS 57 19.899 16.244 46.538 418 HB3 LYS 57 HB1 LYS 57 19.316 15.992 48.183 419 HG2 LYS 57 HG2 LYS 57 18.521 14.240 46.578 420 HG3 LYS 57 HG1 LYS 57 17.204 15.118 47.357 421 HD2 LYS 57 HD2 LYS 57 16.770 16.411 45.419 422 HD3 LYS 57 HD1 LYS 57 18.317 15.985 44.687 423 HE2 LYS 57 HE2 LYS 57 16.358 14.756 43.696 424 HE3 LYS 57 HE1 LYS 57 17.602 13.695 44.358 425 HZ1 LYS 57 HZ1 LYS 57 15.375 13.017 45.034 426 HZ2 LYS 57 HZ2 LYS 57 15.126 14.529 45.770 427 HZ3 LYS 57 HZ3 LYS 57 16.312 13.472 46.373 428 H GLY 58 HN GLY 58 17.879 20.058 47.662 429 HA2 GLY 58 HA2 GLY 58 20.356 20.733 48.943 430 HA3 GLY 58 HA1 GLY 58 18.930 21.758 48.826 431 H HIS 59 HN HIS 59 18.990 18.511 50.192 432 HA HIS 59 HA HIS 59 18.097 19.640 52.759 433 HB2 HIS 59 HB2 HIS 59 18.016 16.755 51.854 434 HB3 HIS 59 HB1 HIS 59 17.183 17.466 53.237 435 HD2 HIS 59 HD2 HIS 59 15.844 16.233 50.183 436 HE1 HIS 59 HE1 HIS 59 14.163 20.105 50.245 437 HE2 HIS 59 HE2 HIS 59 14.007 17.800 49.190 438 H HIS 60 HN HIS 60 20.275 17.107 51.503 439 HA HIS 60 HA HIS 60 22.058 16.035 52.522 440 HB2 HIS 60 HB2 HIS 60 23.867 17.502 52.928 441 HB3 HIS 60 HB1 HIS 60 22.877 18.333 51.728 442 HD2 HIS 60 HD2 HIS 60 23.923 18.736 55.481 443 HE1 HIS 60 HE1 HIS 60 21.517 22.046 54.445 444 HE2 HIS 60 HE2 HIS 60 23.014 21.061 56.244 445 H HIS 61 HN HIS 61 19.638 16.446 54.222 446 HA HIS 61 HA HIS 61 20.348 17.135 56.856 447 HB2 HIS 61 HB2 HIS 61 18.113 15.784 55.520 448 HB3 HIS 61 HB1 HIS 61 18.399 15.221 57.166 449 HD2 HIS 61 HD2 HIS 61 18.962 18.998 56.154 450 HE1 HIS 61 HE1 HIS 61 15.720 18.800 58.851 451 HE2 HIS 61 HE2 HIS 61 17.258 20.370 57.580 452 H HIS 62 HN HIS 62 21.618 14.729 55.006 453 HA HIS 62 HA HIS 62 22.662 12.710 55.426 454 HB2 HIS 62 HB2 HIS 62 23.877 14.691 56.793 455 HB3 HIS 62 HB1 HIS 62 23.435 13.637 58.136 456 HD2 HIS 62 HD2 HIS 62 25.613 13.420 54.833 457 HE1 HIS 62 HE1 HIS 62 26.666 10.214 57.370 458 HE2 HIS 62 HE2 HIS 62 27.233 11.404 55.199 459 H HIS 63 HN HIS 63 23.200 11.517 57.980 460 HA HIS 63 HA HIS 63 21.074 9.785 58.282 461 HB2 HIS 63 HB2 HIS 63 23.336 10.610 60.047 462 HB3 HIS 63 HB1 HIS 63 22.046 9.632 60.746 463 HD2 HIS 63 HD2 HIS 63 21.591 7.130 59.179 464 HE1 HIS 63 HE1 HIS 63 25.564 7.093 57.750 465 HE2 HIS 63 HE2 HIS 63 23.448 5.713 58.012 466 H HIS 64 HN HIS 64 19.274 9.664 59.593 467 HA HIS 64 HA HIS 64 17.871 12.019 60.159 468 HB2 HIS 64 HB2 HIS 64 16.176 10.648 60.871 469 HB3 HIS 64 HB1 HIS 64 17.148 9.450 60.017 470 HD2 HIS 64 HD2 HIS 64 18.811 7.824 61.783 471 HE1 HIS 64 HE1 HIS 64 16.632 8.832 65.256 472 HE2 HIS 64 HE2 HIS 64 18.374 7.255 64.294 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 63.915 -8.862 22.983 2 H2 MET 1 HT2 MET 1 63.530 -7.398 23.752 3 H3 MET 1 HT3 MET 1 65.147 -7.913 23.661 4 HA MET 1 HA MET 1 65.063 -6.334 22.004 5 HB2 MET 1 HB2 MET 1 64.575 -9.116 20.989 6 HB3 MET 1 HB1 MET 1 64.684 -7.786 19.835 7 HG2 MET 1 HG2 MET 1 66.776 -8.068 21.974 8 HG3 MET 1 HG1 MET 1 66.868 -9.069 20.525 9 HE1 MET 1 HE1 MET 1 67.190 -8.341 18.222 10 HE2 MET 1 HE2 MET 1 68.728 -8.327 19.081 11 HE3 MET 1 HE3 MET 1 68.352 -7.037 17.941 12 H GLU 2 HN GLU 2 62.305 -6.810 23.271 13 HA GLU 2 HA GLU 2 60.138 -6.137 22.914 14 HB2 GLU 2 HB2 GLU 2 61.374 -4.541 20.659 15 HB3 GLU 2 HB1 GLU 2 59.816 -4.235 21.430 16 HG2 GLU 2 HG2 GLU 2 60.894 -3.748 23.547 17 HG3 GLU 2 HG1 GLU 2 62.465 -4.221 22.903 18 H GLU 3 HN GLU 3 60.543 -8.597 21.932 19 HA GLU 3 HA GLU 3 59.809 -8.777 19.138 20 HB2 GLU 3 HB2 GLU 3 59.845 -10.964 21.229 21 HB3 GLU 3 HB1 GLU 3 59.860 -11.168 19.477 22 HG2 GLU 3 HG2 GLU 3 62.010 -9.622 19.652 23 HG3 GLU 3 HG1 GLU 3 62.053 -10.253 21.299 24 H GLY 4 HN GLY 4 57.950 -7.238 20.538 25 HA2 GLY 4 HA2 GLY 4 55.527 -7.803 19.696 26 HA3 GLY 4 HA1 GLY 4 55.631 -8.974 21.006 27 H GLY 5 HN GLY 5 56.892 -7.648 22.991 28 HA2 GLY 5 HA2 GLY 5 56.690 -5.225 23.866 29 HA3 GLY 5 HA1 GLY 5 54.967 -5.512 23.643 30 H ASP 6 HN ASP 6 54.277 -5.503 25.734 31 HA ASP 6 HA ASP 6 55.207 -7.727 27.420 32 HB2 ASP 6 HB2 ASP 6 56.418 -6.037 28.463 33 HB3 ASP 6 HB1 ASP 6 55.199 -4.811 28.122 34 H PHE 7 HN PHE 7 53.287 -8.830 27.019 35 HA PHE 7 HA PHE 7 50.752 -7.509 27.647 36 HB2 PHE 7 HB2 PHE 7 51.486 -9.473 25.813 37 HB3 PHE 7 HB1 PHE 7 50.592 -10.351 27.055 38 HD1 PHE 7 HD2 PHE 7 48.315 -9.416 27.792 39 HD2 PHE 7 HD1 PHE 7 50.350 -8.138 24.232 40 HE1 PHE 7 HE2 PHE 7 46.184 -8.519 26.896 41 HE2 PHE 7 HE1 PHE 7 48.218 -7.241 23.335 42 HZ PHE 7 HZ PHE 7 46.135 -7.431 24.668 43 H ASP 8 HN ASP 8 49.977 -7.548 29.648 44 HA ASP 8 HA ASP 8 50.077 -9.973 31.234 45 HB2 ASP 8 HB2 ASP 8 52.259 -8.828 31.708 46 HB3 ASP 8 HB1 ASP 8 51.346 -7.453 32.327 47 H ASN 9 HN ASN 9 47.877 -8.783 30.171 48 HA ASN 9 HA ASN 9 46.519 -7.769 32.579 49 HB2 ASN 9 HB2 ASN 9 47.188 -5.923 30.887 50 HB3 ASN 9 HB1 ASN 9 45.912 -6.599 29.876 51 HD21 ASN 9 HD21 ASN 9 46.415 -4.194 32.096 52 HD22 ASN 9 HD22 ASN 9 44.853 -4.083 32.752 53 H TYR 10 HN TYR 10 46.423 -10.384 31.766 54 HA TYR 10 HA TYR 10 44.427 -11.090 29.935 55 HB2 TYR 10 HB2 TYR 10 46.071 -12.422 31.798 56 HB3 TYR 10 HB1 TYR 10 44.413 -12.877 32.195 57 HD1 TYR 10 HD1 TYR 10 47.030 -12.936 29.599 58 HD2 TYR 10 HD2 TYR 10 43.017 -14.088 30.606 59 HE1 TYR 10 HE1 TYR 10 46.975 -14.456 27.640 60 HE2 TYR 10 HE2 TYR 10 42.962 -15.608 28.647 61 HH TYR 10 HH TYR 10 45.120 -15.454 26.142 62 H TYR 11 HN TYR 11 44.186 -10.580 33.455 63 HA TYR 11 HA TYR 11 41.444 -11.079 33.720 64 HB2 TYR 11 HB2 TYR 11 43.389 -9.391 35.278 65 HB3 TYR 11 HB1 TYR 11 41.681 -9.450 35.717 66 HD1 TYR 11 HD2 TYR 11 40.616 -11.644 36.302 67 HD2 TYR 11 HD1 TYR 11 44.851 -11.237 35.709 68 HE1 TYR 11 HE2 TYR 11 40.985 -13.810 37.452 69 HE2 TYR 11 HE1 TYR 11 45.220 -13.403 36.860 70 HH TYR 11 HH TYR 11 44.258 -15.003 38.116 71 H GLY 12 HN GLY 12 39.879 -9.259 34.452 72 HA2 GLY 12 HA2 GLY 12 39.077 -7.022 34.120 73 HA3 GLY 12 HA1 GLY 12 40.133 -6.889 32.717 74 H ALA 13 HN ALA 13 37.261 -8.579 33.940 75 HA ALA 13 HA ALA 13 36.146 -8.506 31.216 76 HB1 ALA 13 HB1 ALA 13 36.398 -10.923 32.999 77 HB2 ALA 13 HB2 ALA 13 36.888 -10.749 31.315 78 HB3 ALA 13 HB3 ALA 13 35.176 -10.826 31.731 79 H ASP 14 HN ASP 14 35.465 -6.646 33.032 80 HA ASP 14 HA ASP 14 32.718 -7.431 33.745 81 HB2 ASP 14 HB2 ASP 14 33.015 -5.989 35.838 82 HB3 ASP 14 HB1 ASP 14 33.784 -7.576 35.853 83 H ASN 15 HN ASN 15 33.522 -6.026 31.460 84 HA ASN 15 HA ASN 15 32.079 -3.531 31.879 85 HB2 ASN 15 HB2 ASN 15 34.637 -3.177 32.219 86 HB3 ASN 15 HB1 ASN 15 34.725 -3.357 30.467 87 HD21 ASN 15 HD21 ASN 15 32.210 -1.767 32.503 88 HD22 ASN 15 HD22 ASN 15 32.351 -0.254 31.746 89 H GLN 16 HN GLN 16 32.115 -6.218 30.328 90 HA GLN 16 HA GLN 16 32.239 -5.487 27.559 91 HB2 GLN 16 HB2 GLN 16 31.045 -7.713 27.263 92 HB3 GLN 16 HB1 GLN 16 32.606 -7.783 28.082 93 HG2 GLN 16 HG2 GLN 16 30.162 -7.398 29.759 94 HG3 GLN 16 HG1 GLN 16 30.462 -9.003 29.092 95 HE21 GLN 16 HE21 GLN 16 33.172 -9.346 29.265 96 HE22 GLN 16 HE22 GLN 16 33.709 -9.176 30.866 97 H SER 17 HN SER 17 30.784 -3.503 28.357 98 HA SER 17 HA SER 17 27.936 -4.141 28.250 99 HB2 SER 17 HB2 SER 17 29.069 -2.335 29.743 100 HB3 SER 17 HB1 SER 17 29.078 -1.360 28.276 101 HG SER 17 HG SER 17 27.014 -1.075 28.508 102 H GLU 18 HN GLU 18 26.860 -2.047 26.911 103 HA GLU 18 HA GLU 18 26.764 -2.801 24.281 104 HB2 GLU 18 HB2 GLU 18 25.195 -1.195 25.258 105 HB3 GLU 18 HB1 GLU 18 26.478 0.012 25.364 106 HG2 GLU 18 HG2 GLU 18 26.533 0.357 23.073 107 HG3 GLU 18 HG1 GLU 18 25.937 -1.262 22.710 108 H CYS 19 HN CYS 19 28.771 -3.305 23.409 109 HA CYS 19 HA CYS 19 30.232 -1.039 22.325 110 HB2 CYS 19 HB2 CYS 19 31.189 -1.800 24.671 111 HB3 CYS 19 HB1 CYS 19 31.924 -3.080 23.706 112 HG CYS 19 HG CYS 19 32.354 -0.226 22.618 113 H GLU 20 HN GLU 20 28.661 -3.621 21.645 114 HA GLU 20 HA GLU 20 30.669 -4.907 19.912 115 HB2 GLU 20 HB2 GLU 20 28.670 -5.978 21.524 116 HB3 GLU 20 HB1 GLU 20 28.011 -6.094 19.891 117 HG2 GLU 20 HG2 GLU 20 30.184 -7.126 19.161 118 HG3 GLU 20 HG1 GLU 20 30.682 -7.153 20.851 119 H TYR 21 HN TYR 21 27.923 -2.826 19.884 120 HA TYR 21 HA TYR 21 27.483 -3.215 17.008 121 HB2 TYR 21 HB2 TYR 21 25.418 -3.075 18.092 122 HB3 TYR 21 HB1 TYR 21 25.975 -1.817 19.198 123 HD1 TYR 21 HD1 TYR 21 25.216 -2.499 15.606 124 HD2 TYR 21 HD2 TYR 21 25.699 0.471 18.671 125 HE1 TYR 21 HE1 TYR 21 24.373 -0.759 14.052 126 HE2 TYR 21 HE2 TYR 21 24.856 2.211 17.117 127 HH TYR 21 HH TYR 21 23.909 2.598 15.132 128 H THR 22 HN THR 22 29.257 -1.258 19.126 129 HA THR 22 HA THR 22 29.379 0.974 17.207 130 HB THR 22 HB THR 22 30.392 0.765 20.052 131 HG1 THR 22 HG1 THR 22 27.997 1.153 19.122 132 HG21 THR 22 HG21 THR 22 31.806 2.355 19.143 133 HG22 THR 22 HG22 THR 22 30.432 3.374 19.574 134 HG23 THR 22 HG23 THR 22 30.642 2.835 17.908 135 H ASP 23 HN ASP 23 31.056 -1.806 18.198 136 HA ASP 23 HA ASP 23 33.636 -0.772 17.217 137 HB2 ASP 23 HB2 ASP 23 34.684 -2.332 18.524 138 HB3 ASP 23 HB1 ASP 23 33.195 -2.168 19.455 139 H TRP 24 HN TRP 24 30.942 -2.431 16.144 140 HA TRP 24 HA TRP 24 31.736 -4.571 14.659 141 HB2 TRP 24 HB2 TRP 24 29.960 -4.033 13.076 142 HB3 TRP 24 HB1 TRP 24 29.422 -3.692 14.720 143 HD1 TRP 24 HD1 TRP 24 30.134 -0.962 15.444 144 HE1 TRP 24 HE1 TRP 24 29.546 1.135 14.066 145 HE3 TRP 24 HE3 TRP 24 29.363 -3.101 10.871 146 HZ2 TRP 24 HZ2 TRP 24 28.841 1.816 11.379 147 HZ3 TRP 24 HZ3 TRP 24 28.734 -1.706 8.922 148 HH2 TRP 24 HH2 TRP 24 28.473 0.747 9.169 149 H LYS 25 HN LYS 25 31.979 -1.164 13.626 150 HA LYS 25 HA LYS 25 34.308 -1.862 11.998 151 HB2 LYS 25 HB2 LYS 25 31.669 -1.048 10.916 152 HB3 LYS 25 HB1 LYS 25 33.080 -0.253 10.217 153 HG2 LYS 25 HG2 LYS 25 34.082 -2.387 9.658 154 HG3 LYS 25 HG1 LYS 25 32.810 -3.257 10.515 155 HD2 LYS 25 HD2 LYS 25 32.389 -3.266 8.086 156 HD3 LYS 25 HD1 LYS 25 31.133 -2.365 8.936 157 HE2 LYS 25 HE2 LYS 25 31.911 -0.304 8.181 158 HE3 LYS 25 HE1 LYS 25 33.549 -0.903 7.920 159 HZ1 LYS 25 HZ1 LYS 25 32.182 -0.510 5.867 160 HZ2 LYS 25 HZ2 LYS 25 31.230 -1.839 6.333 161 HZ3 LYS 25 HZ3 LYS 25 32.882 -2.050 5.996 162 H SER 26 HN SER 26 35.770 -0.529 12.872 163 HA SER 26 HA SER 26 35.244 2.347 12.800 164 HB2 SER 26 HB2 SER 26 34.581 1.816 15.059 165 HB3 SER 26 HB1 SER 26 36.036 0.854 15.310 166 HG SER 26 HG SER 26 35.708 3.428 15.737 167 H SER 27 HN SER 27 37.740 0.432 14.448 168 HA SER 27 HA SER 27 39.686 1.097 12.368 169 HB2 SER 27 HB2 SER 27 40.659 1.677 15.090 170 HB3 SER 27 HB1 SER 27 40.958 2.530 13.578 171 HG SER 27 HG SER 27 38.421 2.570 14.812 172 H GLY 28 HN GLY 28 38.473 -1.364 13.297 173 HA2 GLY 28 HA2 GLY 28 39.560 -3.499 13.244 174 HA3 GLY 28 HA1 GLY 28 40.936 -2.781 14.076 175 H ALA 29 HN ALA 29 38.691 -1.384 15.762 176 HA ALA 29 HA ALA 29 37.516 -1.793 17.707 177 HB1 ALA 29 HB1 ALA 29 36.448 -3.800 17.978 178 HB2 ALA 29 HB2 ALA 29 37.877 -4.740 17.549 179 HB3 ALA 29 HB3 ALA 29 36.909 -3.980 16.285 180 H LEU 30 HN LEU 30 40.645 -2.368 17.091 181 HA LEU 30 HA LEU 30 41.381 -3.589 19.630 182 HB2 LEU 30 HB2 LEU 30 43.199 -2.368 17.545 183 HB3 LEU 30 HB1 LEU 30 43.638 -3.512 18.815 184 HG LEU 30 HG LEU 30 41.729 -4.078 16.526 185 HD11 LEU 30 HD11 LEU 30 44.644 -4.572 16.981 186 HD12 LEU 30 HD12 LEU 30 43.791 -4.191 15.485 187 HD13 LEU 30 HD13 LEU 30 43.711 -5.821 16.155 188 HD21 LEU 30 HD21 LEU 30 42.621 -5.618 18.951 189 HD22 LEU 30 HD22 LEU 30 42.201 -6.482 17.472 190 HD23 LEU 30 HD23 LEU 30 41.002 -5.462 18.268 191 H ILE 31 HN ILE 31 41.686 -0.439 18.013 192 HA ILE 31 HA ILE 31 42.740 0.737 20.469 193 HB ILE 31 HB ILE 31 42.862 1.364 17.632 194 HG12 ILE 31 HG12 ILE 31 44.743 0.913 19.263 195 HG13 ILE 31 HG11 ILE 31 44.948 2.349 18.264 196 HG21 ILE 31 HG21 ILE 31 42.199 3.636 19.538 197 HG22 ILE 31 HG22 ILE 31 41.304 3.165 18.092 198 HG23 ILE 31 HG23 ILE 31 42.917 3.850 17.944 199 HD11 ILE 31 HD11 ILE 31 45.171 2.286 21.015 200 HD12 ILE 31 HD12 ILE 31 43.531 2.887 20.787 201 HD13 ILE 31 HD13 ILE 31 44.891 3.736 20.054 202 HA PRO 32 HA PRO 32 38.546 3.156 19.658 203 HB2 PRO 32 HB2 PRO 32 36.915 0.864 18.711 204 HB3 PRO 32 HB1 PRO 32 36.926 2.548 18.155 205 HG2 PRO 32 HG2 PRO 32 37.984 0.574 16.700 206 HG3 PRO 32 HG1 PRO 32 38.676 2.205 16.720 207 HD2 PRO 32 HD2 PRO 32 39.657 -0.277 18.075 208 HD3 PRO 32 HD1 PRO 32 40.582 1.060 17.358 209 H ALA 33 HN ALA 33 38.805 -0.219 20.613 210 HA ALA 33 HA ALA 33 36.691 -0.395 22.434 211 HB1 ALA 33 HB1 ALA 33 39.237 -1.828 21.981 212 HB2 ALA 33 HB2 ALA 33 37.607 -2.463 22.206 213 HB3 ALA 33 HB3 ALA 33 38.562 -1.969 23.604 214 H ILE 34 HN ILE 34 39.990 0.823 22.862 215 HA ILE 34 HA ILE 34 39.531 1.403 25.674 216 HB ILE 34 HB ILE 34 41.865 1.949 23.832 217 HG12 ILE 34 HG12 ILE 34 41.887 0.156 26.237 218 HG13 ILE 34 HG11 ILE 34 41.155 -0.434 24.745 219 HG21 ILE 34 HG21 ILE 34 42.178 3.622 25.400 220 HG22 ILE 34 HG22 ILE 34 42.922 2.272 26.258 221 HG23 ILE 34 HG23 ILE 34 41.274 2.765 26.648 222 HD11 ILE 34 HD11 ILE 34 43.723 -0.816 25.172 223 HD12 ILE 34 HD12 ILE 34 43.862 0.860 24.642 224 HD13 ILE 34 HD13 ILE 34 43.165 -0.350 23.565 225 H TYR 35 HN TYR 35 39.768 3.142 22.611 226 HA TYR 35 HA TYR 35 39.793 5.766 23.629 227 HB2 TYR 35 HB2 TYR 35 39.747 4.565 21.100 228 HB3 TYR 35 HB1 TYR 35 38.289 5.555 21.163 229 HD1 TYR 35 HD1 TYR 35 38.497 7.994 21.881 230 HD2 TYR 35 HD2 TYR 35 41.885 5.559 20.862 231 HE1 TYR 35 HE1 TYR 35 39.867 10.036 21.559 232 HE2 TYR 35 HE2 TYR 35 43.255 7.600 20.539 233 HH TYR 35 HH TYR 35 42.889 10.255 21.664 234 H MET 36 HN MET 36 37.133 3.563 22.874 235 HA MET 36 HA MET 36 35.078 5.504 23.401 236 HB2 MET 36 HB2 MET 36 35.006 2.489 23.147 237 HB3 MET 36 HB1 MET 36 33.573 3.500 23.337 238 HG2 MET 36 HG2 MET 36 35.244 4.586 21.258 239 HG3 MET 36 HG1 MET 36 34.932 2.881 20.932 240 HE1 MET 36 HE1 MET 36 32.383 6.226 19.825 241 HE2 MET 36 HE2 MET 36 34.054 5.747 19.541 242 HE3 MET 36 HE3 MET 36 33.599 6.453 21.089 243 H LEU 37 HN LEU 37 36.541 2.817 25.196 244 HA LEU 37 HA LEU 37 34.887 2.839 27.444 245 HB2 LEU 37 HB2 LEU 37 37.457 1.737 26.715 246 HB3 LEU 37 HB1 LEU 37 37.487 2.320 28.379 247 HG LEU 37 HG LEU 37 35.435 1.038 28.870 248 HD11 LEU 37 HD11 LEU 37 34.122 0.619 27.069 249 HD12 LEU 37 HD12 LEU 37 35.179 -0.765 26.793 250 HD13 LEU 37 HD13 LEU 37 35.473 0.753 25.945 251 HD21 LEU 37 HD21 LEU 37 37.670 -0.014 29.171 252 HD22 LEU 37 HD22 LEU 37 37.573 -0.649 27.528 253 HD23 LEU 37 HD23 LEU 37 36.434 -1.202 28.756 254 H VAL 38 HN VAL 38 36.743 5.340 26.280 255 HA VAL 38 HA VAL 38 36.955 6.591 28.957 256 HB VAL 38 HB VAL 38 38.646 7.051 26.488 257 HG11 VAL 38 HG11 VAL 38 39.942 8.424 28.333 258 HG12 VAL 38 HG12 VAL 38 38.354 8.511 29.094 259 HG13 VAL 38 HG13 VAL 38 38.592 9.161 27.472 260 HG21 VAL 38 HG21 VAL 38 39.464 6.054 29.229 261 HG22 VAL 38 HG22 VAL 38 40.423 6.049 27.749 262 HG23 VAL 38 HG23 VAL 38 39.041 4.965 27.908 263 H PHE 39 HN PHE 39 35.263 6.590 26.101 264 HA PHE 39 HA PHE 39 34.711 9.487 26.190 265 HB2 PHE 39 HB2 PHE 39 35.342 8.149 24.018 266 HB3 PHE 39 HB1 PHE 39 33.646 7.666 24.062 267 HD1 PHE 39 HD1 PHE 39 35.849 10.688 24.243 268 HD2 PHE 39 HD2 PHE 39 31.988 9.104 23.228 269 HE1 PHE 39 HE1 PHE 39 35.197 12.885 23.295 270 HE2 PHE 39 HE2 PHE 39 31.335 11.301 22.281 271 HZ PHE 39 HZ PHE 39 32.940 13.192 22.314 272 H LEU 40 HN LEU 40 33.532 6.586 27.326 273 HA LEU 40 HA LEU 40 30.833 7.736 27.662 274 HB2 LEU 40 HB2 LEU 40 29.881 5.466 27.421 275 HB3 LEU 40 HB1 LEU 40 30.682 6.003 25.944 276 HG LEU 40 HG LEU 40 32.743 4.793 27.325 277 HD11 LEU 40 HD11 LEU 40 31.968 2.752 28.266 278 HD12 LEU 40 HD12 LEU 40 30.347 2.975 27.607 279 HD13 LEU 40 HD13 LEU 40 30.907 3.993 28.933 280 HD21 LEU 40 HD21 LEU 40 30.820 3.546 25.334 281 HD22 LEU 40 HD22 LEU 40 32.452 2.971 25.676 282 HD23 LEU 40 HD23 LEU 40 32.214 4.550 24.928 283 H LEU 41 HN LEU 41 33.599 6.328 29.007 284 HA LEU 41 HA LEU 41 32.766 4.877 31.189 285 HB2 LEU 41 HB2 LEU 41 35.138 6.188 30.383 286 HB3 LEU 41 HB1 LEU 41 34.818 6.696 32.041 287 HG LEU 41 HG LEU 41 34.859 3.819 31.081 288 HD11 LEU 41 HD11 LEU 41 37.000 3.615 32.037 289 HD12 LEU 41 HD12 LEU 41 36.825 5.101 32.971 290 HD13 LEU 41 HD13 LEU 41 37.075 5.180 31.227 291 HD21 LEU 41 HD21 LEU 41 35.143 4.080 33.895 292 HD22 LEU 41 HD22 LEU 41 33.784 3.383 33.013 293 HD23 LEU 41 HD23 LEU 41 33.781 5.098 33.425 294 H GLY 42 HN GLY 42 33.027 8.418 30.946 295 HA2 GLY 42 HA2 GLY 42 30.857 8.766 32.824 296 HA3 GLY 42 HA1 GLY 42 32.424 9.262 33.456 297 H THR 43 HN THR 43 31.550 9.513 30.069 298 HA THR 43 HA THR 43 31.408 12.455 30.344 299 HB THR 43 HB THR 43 32.814 12.764 28.532 300 HG1 THR 43 HG1 THR 43 32.003 11.610 26.931 301 HG21 THR 43 HG21 THR 43 33.776 10.086 29.568 302 HG22 THR 43 HG22 THR 43 34.006 11.612 30.420 303 HG23 THR 43 HG23 THR 43 34.761 11.358 28.846 304 H THR 44 HN THR 44 31.069 12.456 27.351 305 HA THR 44 HA THR 44 29.207 12.873 26.032 306 HB THR 44 HB THR 44 27.947 10.593 25.705 307 HG1 THR 44 HG1 THR 44 28.790 8.941 26.722 308 HG21 THR 44 HG21 THR 44 29.824 9.808 24.296 309 HG22 THR 44 HG22 THR 44 30.899 10.944 25.113 310 HG23 THR 44 HG23 THR 44 29.568 11.545 24.124 311 H GLY 45 HN GLY 45 27.552 10.385 27.829 312 HA2 GLY 45 HA2 GLY 45 25.835 12.383 29.147 313 HA3 GLY 45 HA1 GLY 45 25.091 11.167 28.115 314 H ASN 46 HN ASN 46 26.594 8.932 28.728 315 HA ASN 46 HA ASN 46 26.373 7.153 30.194 316 HB2 ASN 46 HB2 ASN 46 27.692 7.439 32.202 317 HB3 ASN 46 HB1 ASN 46 28.482 8.301 30.882 318 HD21 ASN 46 HD21 ASN 46 28.225 10.700 30.841 319 HD22 ASN 46 HD22 ASN 46 27.868 11.530 32.277 320 H GLY 47 HN GLY 47 23.936 8.338 29.948 321 HA2 GLY 47 HA2 GLY 47 22.678 7.654 32.427 322 HA3 GLY 47 HA1 GLY 47 22.643 9.391 32.139 323 H LEU 48 HN LEU 48 21.802 6.272 30.678 324 HA LEU 48 HA LEU 48 20.144 5.660 29.222 325 HB2 LEU 48 HB2 LEU 48 19.038 7.471 31.151 326 HB3 LEU 48 HB1 LEU 48 18.241 7.731 29.601 327 HG LEU 48 HG LEU 48 17.078 6.005 30.939 328 HD11 LEU 48 HD11 LEU 48 16.545 5.037 28.984 329 HD12 LEU 48 HD12 LEU 48 18.078 4.166 28.965 330 HD13 LEU 48 HD13 LEU 48 17.971 5.778 28.259 331 HD21 LEU 48 HD21 LEU 48 19.125 3.943 30.585 332 HD22 LEU 48 HD22 LEU 48 18.176 4.345 32.016 333 HD23 LEU 48 HD23 LEU 48 19.653 5.240 31.658 334 H VAL 49 HN VAL 49 22.006 8.258 28.725 335 HA VAL 49 HA VAL 49 20.563 9.499 26.537 336 HB VAL 49 HB VAL 49 23.504 9.815 27.075 337 HG11 VAL 49 HG11 VAL 49 21.332 11.711 26.132 338 HG12 VAL 49 HG12 VAL 49 22.492 10.890 25.086 339 HG13 VAL 49 HG13 VAL 49 23.051 12.086 26.254 340 HG21 VAL 49 HG21 VAL 49 22.642 11.773 28.574 341 HG22 VAL 49 HG22 VAL 49 22.690 10.147 29.256 342 HG23 VAL 49 HG23 VAL 49 21.163 10.818 28.683 343 H LEU 50 HN LEU 50 22.565 6.778 26.984 344 HA LEU 50 HA LEU 50 23.500 6.708 24.220 345 HB2 LEU 50 HB2 LEU 50 23.830 4.503 26.242 346 HB3 LEU 50 HB1 LEU 50 24.867 4.912 24.874 347 HG LEU 50 HG LEU 50 24.485 6.545 27.400 348 HD11 LEU 50 HD11 LEU 50 27.202 5.917 26.762 349 HD12 LEU 50 HD12 LEU 50 26.264 4.424 26.696 350 HD13 LEU 50 HD13 LEU 50 26.264 5.402 28.165 351 HD21 LEU 50 HD21 LEU 50 24.795 8.181 25.756 352 HD22 LEU 50 HD22 LEU 50 25.795 7.127 24.756 353 HD23 LEU 50 HD23 LEU 50 26.457 7.831 26.231 354 H TRP 51 HN TRP 51 21.092 5.213 26.285 355 HA TRP 51 HA TRP 51 20.412 3.027 24.632 356 HB2 TRP 51 HB2 TRP 51 19.257 2.649 26.521 357 HB3 TRP 51 HB1 TRP 51 19.332 4.347 26.989 358 HD1 TRP 51 HD1 TRP 51 17.427 5.980 25.985 359 HE1 TRP 51 HE1 TRP 51 15.012 5.476 25.235 360 HE3 TRP 51 HE3 TRP 51 17.705 0.907 25.465 361 HZ2 TRP 51 HZ2 TRP 51 13.411 3.219 24.510 362 HZ3 TRP 51 HZ3 TRP 51 15.723 -0.393 24.744 363 HH2 TRP 51 HH2 TRP 51 13.578 0.756 24.267 364 H THR 52 HN THR 52 20.040 6.347 24.130 365 HA THR 52 HA THR 52 17.660 6.092 22.456 366 HB THR 52 HB THR 52 18.323 8.108 24.007 367 HG1 THR 52 HG1 THR 52 16.515 8.151 22.717 368 HG21 THR 52 HG21 THR 52 19.601 9.046 21.448 369 HG22 THR 52 HG22 THR 52 20.563 8.256 22.697 370 HG23 THR 52 HG23 THR 52 19.706 9.753 23.059 371 H VAL 53 HN VAL 53 21.121 6.252 22.174 372 HA VAL 53 HA VAL 53 21.201 6.965 19.397 373 HB VAL 53 HB VAL 53 23.292 5.594 21.106 374 HG11 VAL 53 HG11 VAL 53 23.773 5.328 18.743 375 HG12 VAL 53 HG12 VAL 53 24.835 6.581 19.383 376 HG13 VAL 53 HG13 VAL 53 23.415 7.028 18.437 377 HG21 VAL 53 HG21 VAL 53 22.912 7.662 22.157 378 HG22 VAL 53 HG22 VAL 53 22.530 8.472 20.637 379 HG23 VAL 53 HG23 VAL 53 24.200 8.046 21.015 380 H PHE 54 HN PHE 54 22.470 3.958 20.796 381 HA PHE 54 HA PHE 54 22.482 2.357 18.616 382 HB2 PHE 54 HB2 PHE 54 22.987 0.794 20.139 383 HB3 PHE 54 HB1 PHE 54 22.555 1.945 21.403 384 HD1 PHE 54 HD1 PHE 54 21.203 -0.711 19.174 385 HD2 PHE 54 HD2 PHE 54 20.543 1.711 22.660 386 HE1 PHE 54 HE1 PHE 54 19.229 -2.092 19.759 387 HE2 PHE 54 HE2 PHE 54 18.568 0.330 23.245 388 HZ PHE 54 HZ PHE 54 17.911 -1.571 21.796 389 H ARG 55 HN ARG 55 19.667 3.587 20.211 390 HA ARG 55 HA ARG 55 17.829 1.690 19.044 391 HB2 ARG 55 HB2 ARG 55 17.506 2.986 21.233 392 HB3 ARG 55 HB1 ARG 55 17.119 4.374 20.218 393 HG2 ARG 55 HG2 ARG 55 15.006 3.474 20.491 394 HG3 ARG 55 HG1 ARG 55 15.515 2.634 19.027 395 HD2 ARG 55 HD2 ARG 55 16.520 0.928 20.836 396 HD3 ARG 55 HD1 ARG 55 15.203 1.590 21.801 397 HE ARG 55 HE ARG 55 14.958 -0.067 19.424 398 HH11 ARG 55 HH21 ARG 55 13.475 2.111 21.665 399 HH12 ARG 55 HH22 ARG 55 11.863 1.577 21.330 400 HH21 ARG 55 HH11 ARG 55 12.844 -0.777 18.981 401 HH22 ARG 55 HH12 ARG 55 11.505 -0.058 19.811 402 H LYS 56 HN LYS 56 18.212 5.223 18.675 403 HA LYS 56 HA LYS 56 16.597 5.611 16.478 404 HB2 LYS 56 HB2 LYS 56 19.237 6.969 17.073 405 HB3 LYS 56 HB1 LYS 56 18.002 7.576 15.969 406 HG2 LYS 56 HG2 LYS 56 16.986 6.878 18.645 407 HG3 LYS 56 HG1 LYS 56 18.144 8.209 18.635 408 HD2 LYS 56 HD2 LYS 56 16.827 9.429 17.012 409 HD3 LYS 56 HD1 LYS 56 15.735 8.059 16.804 410 HE2 LYS 56 HE2 LYS 56 15.985 8.843 19.605 411 HE3 LYS 56 HE1 LYS 56 15.392 10.164 18.598 412 HZ1 LYS 56 HZ1 LYS 56 13.424 9.174 18.705 413 HZ2 LYS 56 HZ2 LYS 56 14.074 7.762 19.393 414 HZ3 LYS 56 HZ3 LYS 56 14.051 7.956 17.705 415 H LYS 57 HN LYS 57 20.099 4.923 16.420 416 HA LYS 57 HA LYS 57 20.125 4.575 13.561 417 HB2 LYS 57 HB2 LYS 57 22.337 3.497 15.227 418 HB3 LYS 57 HB1 LYS 57 22.401 4.481 13.764 419 HG2 LYS 57 HG2 LYS 57 21.403 6.365 15.247 420 HG3 LYS 57 HG1 LYS 57 21.924 5.368 16.603 421 HD2 LYS 57 HD2 LYS 57 23.667 6.496 14.398 422 HD3 LYS 57 HD1 LYS 57 23.705 6.924 16.110 423 HE2 LYS 57 HE2 LYS 57 25.473 5.406 15.970 424 HE3 LYS 57 HE1 LYS 57 24.142 4.354 16.453 425 HZ1 LYS 57 HZ1 LYS 57 25.568 3.616 14.505 426 HZ2 LYS 57 HZ2 LYS 57 24.788 4.830 13.609 427 HZ3 LYS 57 HZ3 LYS 57 23.887 3.562 14.292 428 H GLY 58 HN GLY 58 18.197 2.908 14.743 429 HA2 GLY 58 HA2 GLY 58 19.278 0.226 14.961 430 HA3 GLY 58 HA1 GLY 58 17.579 0.681 15.045 431 H HIS 59 HN HIS 59 20.288 0.372 12.761 432 HA HIS 59 HA HIS 59 18.367 -0.013 10.565 433 HB2 HIS 59 HB2 HIS 59 21.362 0.426 10.542 434 HB3 HIS 59 HB1 HIS 59 20.366 0.207 9.104 435 HD2 HIS 59 HD2 HIS 59 21.246 2.997 11.667 436 HE1 HIS 59 HE1 HIS 59 18.333 4.570 9.048 437 HE2 HIS 59 HE2 HIS 59 19.970 5.143 10.903 438 H HIS 60 HN HIS 60 21.563 -1.418 11.295 439 HA HIS 60 HA HIS 60 22.351 -3.557 10.886 440 HB2 HIS 60 HB2 HIS 60 21.114 -3.642 13.115 441 HB3 HIS 60 HB1 HIS 60 19.780 -4.387 12.233 442 HD2 HIS 60 HD2 HIS 60 20.776 -6.811 10.700 443 HE1 HIS 60 HE1 HIS 60 23.673 -7.605 13.667 444 HE2 HIS 60 HE2 HIS 60 22.444 -8.572 11.666 445 H HIS 61 HN HIS 61 22.130 -3.527 8.591 446 HA HIS 61 HA HIS 61 19.703 -4.463 7.343 447 HB2 HIS 61 HB2 HIS 61 22.473 -4.155 6.159 448 HB3 HIS 61 HB1 HIS 61 20.960 -4.318 5.266 449 HD2 HIS 61 HD2 HIS 61 22.126 -1.743 8.098 450 HE1 HIS 61 HE1 HIS 61 20.045 0.334 5.069 451 HE2 HIS 61 HE2 HIS 61 21.260 0.582 7.284 452 H HIS 62 HN HIS 62 19.228 -6.517 8.052 453 HA HIS 62 HA HIS 62 21.037 -8.621 8.429 454 HB2 HIS 62 HB2 HIS 62 18.091 -8.487 7.869 455 HB3 HIS 62 HB1 HIS 62 18.913 -10.047 7.918 456 HD2 HIS 62 HD2 HIS 62 20.143 -10.637 10.497 457 HE1 HIS 62 HE1 HIS 62 17.927 -7.702 12.569 458 HE2 HIS 62 HE2 HIS 62 19.441 -9.722 12.840 459 H HIS 63 HN HIS 63 22.520 -8.825 6.771 460 HA HIS 63 HA HIS 63 21.975 -8.814 4.025 461 HB2 HIS 63 HB2 HIS 63 24.127 -10.003 3.786 462 HB3 HIS 63 HB1 HIS 63 24.250 -8.656 4.919 463 HD2 HIS 63 HD2 HIS 63 26.432 -10.804 5.656 464 HE1 HIS 63 HE1 HIS 63 23.677 -12.516 8.359 465 HE2 HIS 63 HE2 HIS 63 26.127 -12.400 7.700 466 H HIS 64 HN HIS 64 21.660 -10.477 2.519 467 HA HIS 64 HA HIS 64 19.828 -12.460 3.148 468 HB2 HIS 64 HB2 HIS 64 20.052 -13.191 0.951 469 HB3 HIS 64 HB1 HIS 64 20.662 -11.540 0.837 470 HD2 HIS 64 HD2 HIS 64 23.718 -11.683 1.498 471 HE1 HIS 64 HE1 HIS 64 23.971 -15.214 -0.802 472 HE2 HIS 64 HE2 HIS 64 25.315 -13.341 0.265 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 25.994 21.631 -19.163 2 H2 MET 1 HT2 MET 1 26.794 20.813 -20.419 3 H3 MET 1 HT3 MET 1 27.686 21.686 -19.267 4 HA MET 1 HA MET 1 27.891 19.392 -18.733 5 HB2 MET 1 HB2 MET 1 27.477 21.112 -16.896 6 HB3 MET 1 HB1 MET 1 25.804 20.555 -16.875 7 HG2 MET 1 HG2 MET 1 26.649 18.222 -16.489 8 HG3 MET 1 HG1 MET 1 28.277 18.886 -16.340 9 HE1 MET 1 HE1 MET 1 29.289 19.554 -14.286 10 HE2 MET 1 HE2 MET 1 28.520 20.600 -13.095 11 HE3 MET 1 HE3 MET 1 28.635 21.124 -14.772 12 H GLU 2 HN GLU 2 26.934 18.103 -20.381 13 HA GLU 2 HA GLU 2 25.320 16.765 -21.364 14 HB2 GLU 2 HB2 GLU 2 24.667 16.217 -18.461 15 HB3 GLU 2 HB1 GLU 2 24.402 15.139 -19.831 16 HG2 GLU 2 HG2 GLU 2 26.959 15.373 -20.228 17 HG3 GLU 2 HG1 GLU 2 27.008 15.966 -18.569 18 H GLU 3 HN GLU 3 24.028 18.461 -22.254 19 HA GLU 3 HA GLU 3 21.388 18.652 -20.963 20 HB2 GLU 3 HB2 GLU 3 22.468 20.731 -20.379 21 HB3 GLU 3 HB1 GLU 3 23.003 20.972 -22.042 22 HG2 GLU 3 HG2 GLU 3 20.812 21.386 -22.815 23 HG3 GLU 3 HG1 GLU 3 20.078 20.672 -21.380 24 H GLY 4 HN GLY 4 20.537 17.217 -22.473 25 HA2 GLY 4 HA2 GLY 4 19.158 17.903 -24.596 26 HA3 GLY 4 HA1 GLY 4 20.764 17.901 -25.320 27 H GLY 5 HN GLY 5 21.695 15.683 -23.628 28 HA2 GLY 5 HA2 GLY 5 20.620 13.347 -23.378 29 HA3 GLY 5 HA1 GLY 5 20.401 13.493 -25.119 30 H ASP 6 HN ASP 6 22.546 12.645 -22.610 31 HA ASP 6 HA ASP 6 24.616 11.996 -24.594 32 HB2 ASP 6 HB2 ASP 6 25.292 14.127 -23.559 33 HB3 ASP 6 HB1 ASP 6 25.165 13.391 -21.964 34 H PHE 7 HN PHE 7 25.520 10.035 -24.286 35 HA PHE 7 HA PHE 7 24.439 8.343 -22.202 36 HB2 PHE 7 HB2 PHE 7 26.514 7.755 -24.329 37 HB3 PHE 7 HB1 PHE 7 25.712 6.560 -23.309 38 HD1 PHE 7 HD2 PHE 7 23.116 6.510 -23.367 39 HD2 PHE 7 HD1 PHE 7 25.537 8.412 -26.362 40 HE1 PHE 7 HE2 PHE 7 21.215 6.423 -24.958 41 HE2 PHE 7 HE1 PHE 7 23.637 8.325 -27.954 42 HZ PHE 7 HZ PHE 7 21.476 7.332 -27.251 43 H ASP 8 HN ASP 8 26.411 6.666 -21.490 44 HA ASP 8 HA ASP 8 28.587 8.302 -20.370 45 HB2 ASP 8 HB2 ASP 8 26.646 8.054 -18.730 46 HB3 ASP 8 HB1 ASP 8 27.044 6.337 -18.678 47 H ASN 9 HN ASN 9 28.959 6.675 -22.502 48 HA ASN 9 HA ASN 9 30.027 4.785 -23.289 49 HB2 ASN 9 HB2 ASN 9 32.167 4.448 -22.313 50 HB3 ASN 9 HB1 ASN 9 31.801 6.160 -22.104 51 HD21 ASN 9 HD21 ASN 9 32.190 3.091 -20.398 52 HD22 ASN 9 HD22 ASN 9 32.133 3.751 -18.835 53 H TYR 10 HN TYR 10 27.695 4.237 -21.762 54 HA TYR 10 HA TYR 10 26.640 2.570 -20.549 55 HB2 TYR 10 HB2 TYR 10 27.371 1.550 -22.805 56 HB3 TYR 10 HB1 TYR 10 28.618 0.723 -21.871 57 HD1 TYR 10 HD2 TYR 10 24.936 1.258 -22.123 58 HD2 TYR 10 HD1 TYR 10 28.104 -1.184 -20.558 59 HE1 TYR 10 HE2 TYR 10 23.274 -0.435 -21.401 60 HE2 TYR 10 HE1 TYR 10 26.443 -2.877 -19.835 61 HH TYR 10 HH TYR 10 23.883 -2.790 -19.214 62 H TYR 11 HN TYR 11 27.248 3.052 -18.428 63 HA TYR 11 HA TYR 11 29.016 1.101 -17.213 64 HB2 TYR 11 HB2 TYR 11 30.757 2.452 -16.811 65 HB3 TYR 11 HB1 TYR 11 29.992 3.672 -17.830 66 HD1 TYR 11 HD2 TYR 11 28.148 5.140 -16.715 67 HD2 TYR 11 HD1 TYR 11 31.057 2.865 -14.520 68 HE1 TYR 11 HE2 TYR 11 27.756 6.562 -14.723 69 HE2 TYR 11 HE1 TYR 11 30.665 4.288 -12.527 70 HH TYR 11 HH TYR 11 29.755 6.274 -11.838 71 H GLY 12 HN GLY 12 28.728 0.925 -14.934 72 HA2 GLY 12 HA2 GLY 12 27.422 2.373 -13.112 73 HA3 GLY 12 HA1 GLY 12 26.074 1.768 -14.069 74 H ALA 13 HN ALA 13 29.071 0.523 -12.574 75 HA ALA 13 HA ALA 13 27.492 -1.667 -11.399 76 HB1 ALA 13 HB1 ALA 13 28.664 -2.385 -13.548 77 HB2 ALA 13 HB2 ALA 13 29.020 -3.343 -12.112 78 HB3 ALA 13 HB3 ALA 13 30.182 -2.145 -12.683 79 H ASP 14 HN ASP 14 27.915 0.149 -9.700 80 HA ASP 14 HA ASP 14 30.556 -0.182 -8.447 81 HB2 ASP 14 HB2 ASP 14 29.719 2.124 -8.823 82 HB3 ASP 14 HB1 ASP 14 28.339 1.769 -7.785 83 H ASN 15 HN ASN 15 28.911 -2.414 -8.306 84 HA ASN 15 HA ASN 15 27.755 -2.362 -5.601 85 HB2 ASN 15 HB2 ASN 15 27.493 -4.250 -7.935 86 HB3 ASN 15 HB1 ASN 15 26.979 -4.710 -6.313 87 HD21 ASN 15 HD21 ASN 15 26.054 -2.967 -9.145 88 HD22 ASN 15 HD22 ASN 15 24.647 -2.260 -8.510 89 H GLN 16 HN GLN 16 30.266 -3.875 -7.546 90 HA GLN 16 HA GLN 16 31.085 -5.948 -5.912 91 HB2 GLN 16 HB2 GLN 16 33.444 -5.319 -6.802 92 HB3 GLN 16 HB1 GLN 16 32.202 -5.792 -7.963 93 HG2 GLN 16 HG2 GLN 16 32.289 -2.909 -7.273 94 HG3 GLN 16 HG1 GLN 16 33.662 -3.518 -8.195 95 HE21 GLN 16 HE21 GLN 16 33.207 -2.841 -10.318 96 HE22 GLN 16 HE22 GLN 16 31.756 -3.175 -11.132 97 H SER 17 HN SER 17 31.731 -2.493 -5.597 98 HA SER 17 HA SER 17 32.886 -1.298 -3.985 99 HB2 SER 17 HB2 SER 17 30.710 -1.858 -2.907 100 HB3 SER 17 HB1 SER 17 31.461 -3.285 -2.201 101 HG SER 17 HG SER 17 31.612 -0.673 -1.455 102 H GLU 18 HN GLU 18 34.694 -2.921 -5.073 103 HA GLU 18 HA GLU 18 35.992 -4.434 -2.914 104 HB2 GLU 18 HB2 GLU 18 35.902 -4.637 -5.807 105 HB3 GLU 18 HB1 GLU 18 37.565 -4.611 -5.219 106 HG2 GLU 18 HG2 GLU 18 36.684 -6.916 -5.282 107 HG3 GLU 18 HG1 GLU 18 37.041 -6.418 -3.630 108 H CYS 19 HN CYS 19 38.591 -4.262 -3.397 109 HA CYS 19 HA CYS 19 40.470 -2.983 -3.066 110 HB2 CYS 19 HB2 CYS 19 39.043 -1.732 -5.136 111 HB3 CYS 19 HB1 CYS 19 39.508 -0.434 -4.036 112 HG CYS 19 HG CYS 19 41.393 -1.813 -5.887 113 H GLU 20 HN GLU 20 41.036 -2.349 -1.095 114 HA GLU 20 HA GLU 20 41.075 -1.225 0.909 115 HB2 GLU 20 HB2 GLU 20 40.476 0.698 -0.928 116 HB3 GLU 20 HB1 GLU 20 39.078 0.805 0.142 117 HG2 GLU 20 HG2 GLU 20 40.775 0.805 2.077 118 HG3 GLU 20 HG1 GLU 20 41.995 1.130 0.847 119 H TYR 21 HN TYR 21 38.447 -2.733 -0.358 120 HA TYR 21 HA TYR 21 36.699 -2.207 1.951 121 HB2 TYR 21 HB2 TYR 21 35.477 -2.053 -0.070 122 HB3 TYR 21 HB1 TYR 21 36.241 -3.497 -0.735 123 HD1 TYR 21 HD1 TYR 21 35.668 -5.747 0.148 124 HD2 TYR 21 HD2 TYR 21 33.625 -2.206 1.467 125 HE1 TYR 21 HE1 TYR 21 33.856 -7.147 1.102 126 HE2 TYR 21 HE2 TYR 21 31.814 -3.605 2.421 127 HH TYR 21 HH TYR 21 32.108 -6.865 2.970 128 H THR 22 HN THR 22 38.792 -4.586 0.558 129 HA THR 22 HA THR 22 37.792 -6.669 2.378 130 HB THR 22 HB THR 22 39.798 -6.819 0.116 131 HG1 THR 22 HG1 THR 22 37.852 -8.262 -0.515 132 HG21 THR 22 HG21 THR 22 40.443 -8.610 1.411 133 HG22 THR 22 HG22 THR 22 39.098 -9.361 0.553 134 HG23 THR 22 HG23 THR 22 38.868 -8.749 2.190 135 H ASP 23 HN ASP 23 39.917 -4.183 2.494 136 HA ASP 23 HA ASP 23 41.579 -5.568 4.494 137 HB2 ASP 23 HB2 ASP 23 42.603 -5.021 2.048 138 HB3 ASP 23 HB1 ASP 23 42.948 -3.503 2.876 139 H TRP 24 HN TRP 24 39.259 -3.660 4.517 140 HA TRP 24 HA TRP 24 39.970 -1.061 5.168 141 HB2 TRP 24 HB2 TRP 24 37.913 -1.317 6.811 142 HB3 TRP 24 HB1 TRP 24 37.684 -1.345 5.066 143 HD1 TRP 24 HD1 TRP 24 39.214 -4.353 6.826 144 HE1 TRP 24 HE1 TRP 24 37.570 -6.332 6.679 145 HE3 TRP 24 HE3 TRP 24 35.140 -1.971 4.875 146 HZ2 TRP 24 HZ2 TRP 24 34.882 -6.839 5.843 147 HZ3 TRP 24 HZ3 TRP 24 33.053 -3.226 4.413 148 HH2 TRP 24 HH2 TRP 24 32.919 -5.654 4.894 149 H LYS 25 HN LYS 25 38.680 -2.592 7.966 150 HA LYS 25 HA LYS 25 40.415 -1.443 9.783 151 HB2 LYS 25 HB2 LYS 25 38.947 -4.080 10.022 152 HB3 LYS 25 HB1 LYS 25 39.663 -3.196 11.370 153 HG2 LYS 25 HG2 LYS 25 37.798 -1.954 11.533 154 HG3 LYS 25 HG1 LYS 25 38.071 -1.352 9.898 155 HD2 LYS 25 HD2 LYS 25 35.873 -2.394 9.991 156 HD3 LYS 25 HD1 LYS 25 36.938 -3.397 9.006 157 HE2 LYS 25 HE2 LYS 25 36.543 -5.139 10.370 158 HE3 LYS 25 HE1 LYS 25 37.245 -4.234 11.711 159 HZ1 LYS 25 HZ1 LYS 25 34.717 -5.032 11.656 160 HZ2 LYS 25 HZ2 LYS 25 34.540 -3.499 10.946 161 HZ3 LYS 25 HZ3 LYS 25 35.233 -3.649 12.490 162 H SER 26 HN SER 26 40.480 -4.963 9.504 163 HA SER 26 HA SER 26 42.224 -6.457 9.582 164 HB2 SER 26 HB2 SER 26 42.531 -5.211 7.307 165 HB3 SER 26 HB1 SER 26 43.913 -4.464 8.103 166 HG SER 26 HG SER 26 43.402 -7.247 7.826 167 H SER 27 HN SER 27 42.162 -3.801 11.343 168 HA SER 27 HA SER 27 43.914 -4.510 13.308 169 HB2 SER 27 HB2 SER 27 45.915 -4.374 12.211 170 HB3 SER 27 HB1 SER 27 45.309 -3.220 11.026 171 HG SER 27 HG SER 27 46.852 -2.537 12.825 172 H GLY 28 HN GLY 28 42.457 -1.963 11.449 173 HA2 GLY 28 HA2 GLY 28 42.806 0.224 13.172 174 HA3 GLY 28 HA1 GLY 28 41.456 0.016 12.061 175 H ALA 29 HN ALA 29 41.012 -2.655 13.596 176 HA ALA 29 HA ALA 29 39.053 -1.561 15.421 177 HB1 ALA 29 HB1 ALA 29 38.912 -3.714 13.925 178 HB2 ALA 29 HB2 ALA 29 38.167 -3.706 15.523 179 HB3 ALA 29 HB3 ALA 29 39.735 -4.477 15.285 180 H LEU 30 HN LEU 30 42.301 -2.096 15.660 181 HA LEU 30 HA LEU 30 42.196 -2.893 18.496 182 HB2 LEU 30 HB2 LEU 30 44.674 -2.640 16.793 183 HB3 LEU 30 HB1 LEU 30 44.472 -3.532 18.301 184 HG LEU 30 HG LEU 30 43.162 -4.180 15.644 185 HD11 LEU 30 HD11 LEU 30 45.605 -4.764 15.945 186 HD12 LEU 30 HD12 LEU 30 44.553 -6.153 15.673 187 HD13 LEU 30 HD13 LEU 30 45.127 -5.788 17.299 188 HD21 LEU 30 HD21 LEU 30 42.526 -6.289 17.061 189 HD22 LEU 30 HD22 LEU 30 41.558 -4.824 17.231 190 HD23 LEU 30 HD23 LEU 30 42.778 -5.223 18.442 191 H ILE 31 HN ILE 31 41.317 -0.656 18.846 192 HA ILE 31 HA ILE 31 43.058 0.974 20.183 193 HB ILE 31 HB ILE 31 43.347 1.388 17.329 194 HG12 ILE 31 HG12 ILE 31 45.131 1.239 19.113 195 HG13 ILE 31 HG11 ILE 31 45.296 2.621 18.035 196 HG21 ILE 31 HG21 ILE 31 42.437 3.816 18.920 197 HG22 ILE 31 HG22 ILE 31 41.634 3.123 17.511 198 HG23 ILE 31 HG23 ILE 31 43.217 3.870 17.343 199 HD11 ILE 31 HD11 ILE 31 45.257 2.717 20.812 200 HD12 ILE 31 HD12 ILE 31 43.626 3.219 20.367 201 HD13 ILE 31 HD13 ILE 31 45.021 4.089 19.731 202 HA PRO 32 HA PRO 32 38.918 3.300 19.181 203 HB2 PRO 32 HB2 PRO 32 37.252 1.184 17.990 204 HB3 PRO 32 HB1 PRO 32 37.526 2.844 17.433 205 HG2 PRO 32 HG2 PRO 32 38.518 0.705 16.145 206 HG3 PRO 32 HG1 PRO 32 39.353 2.269 16.188 207 HD2 PRO 32 HD2 PRO 32 39.923 -0.219 17.767 208 HD3 PRO 32 HD1 PRO 32 41.063 0.939 17.044 209 H ALA 33 HN ALA 33 39.198 -0.031 20.137 210 HA ALA 33 HA ALA 33 36.842 -0.181 21.742 211 HB1 ALA 33 HB1 ALA 33 39.260 -1.831 21.293 212 HB2 ALA 33 HB2 ALA 33 37.565 -2.309 21.376 213 HB3 ALA 33 HB3 ALA 33 38.474 -2.027 22.860 214 H ILE 34 HN ILE 34 40.019 1.127 22.202 215 HA ILE 34 HA ILE 34 39.760 1.254 25.103 216 HB ILE 34 HB ILE 34 41.880 2.383 23.260 217 HG12 ILE 34 HG12 ILE 34 42.114 -0.018 25.076 218 HG13 ILE 34 HG11 ILE 34 41.524 -0.181 23.421 219 HG21 ILE 34 HG21 ILE 34 42.047 3.617 25.254 220 HG22 ILE 34 HG22 ILE 34 43.161 2.277 25.526 221 HG23 ILE 34 HG23 ILE 34 41.554 2.248 26.251 222 HD11 ILE 34 HD11 ILE 34 44.071 1.324 23.945 223 HD12 ILE 34 HD12 ILE 34 43.562 0.473 22.487 224 HD13 ILE 34 HD13 ILE 34 44.092 -0.439 23.900 225 H TYR 35 HN TYR 35 39.251 3.262 22.307 226 HA TYR 35 HA TYR 35 39.277 5.789 23.611 227 HB2 TYR 35 HB2 TYR 35 38.912 4.834 20.983 228 HB3 TYR 35 HB1 TYR 35 37.449 5.732 21.385 229 HD1 TYR 35 HD2 TYR 35 37.757 8.062 22.487 230 HD2 TYR 35 HD1 TYR 35 40.875 5.983 20.388 231 HE1 TYR 35 HE2 TYR 35 38.985 10.197 22.196 232 HE2 TYR 35 HE1 TYR 35 42.103 8.117 20.098 233 HH TYR 35 HH TYR 35 41.982 10.531 21.646 234 H MET 36 HN MET 36 36.767 3.378 23.013 235 HA MET 36 HA MET 36 34.628 5.020 24.014 236 HB2 MET 36 HB2 MET 36 34.819 2.052 23.460 237 HB3 MET 36 HB1 MET 36 33.338 2.873 23.954 238 HG2 MET 36 HG2 MET 36 33.064 3.888 21.922 239 HG3 MET 36 HG1 MET 36 34.798 4.096 21.678 240 HE1 MET 36 HE1 MET 36 34.100 2.097 18.540 241 HE2 MET 36 HE2 MET 36 35.066 3.365 19.289 242 HE3 MET 36 HE3 MET 36 33.311 3.503 19.270 243 H LEU 37 HN LEU 37 36.824 2.626 25.344 244 HA LEU 37 HA LEU 37 35.436 2.269 27.817 245 HB2 LEU 37 HB2 LEU 37 37.984 1.416 26.621 246 HB3 LEU 37 HB1 LEU 37 38.062 1.657 28.365 247 HG LEU 37 HG LEU 37 37.402 -0.676 27.685 248 HD11 LEU 37 HD11 LEU 37 36.420 -0.717 29.705 249 HD12 LEU 37 HD12 LEU 37 34.954 -0.021 29.013 250 HD13 LEU 37 HD13 LEU 37 36.219 1.034 29.643 251 HD21 LEU 37 HD21 LEU 37 35.616 -1.086 26.334 252 HD22 LEU 37 HD22 LEU 37 35.832 0.590 25.830 253 HD23 LEU 37 HD23 LEU 37 34.646 0.189 27.072 254 H VAL 38 HN VAL 38 36.454 5.031 26.694 255 HA VAL 38 HA VAL 38 37.263 6.028 29.344 256 HB VAL 38 HB VAL 38 38.617 6.704 26.722 257 HG11 VAL 38 HG11 VAL 38 38.547 8.028 29.398 258 HG12 VAL 38 HG12 VAL 38 38.718 8.745 27.796 259 HG13 VAL 38 HG13 VAL 38 40.099 7.960 28.562 260 HG21 VAL 38 HG21 VAL 38 39.488 5.268 29.243 261 HG22 VAL 38 HG22 VAL 38 40.632 5.885 28.050 262 HG23 VAL 38 HG23 VAL 38 39.471 4.638 27.595 263 H PHE 39 HN PHE 39 35.226 6.182 26.724 264 HA PHE 39 HA PHE 39 34.668 9.055 27.018 265 HB2 PHE 39 HB2 PHE 39 34.832 8.355 24.730 266 HB3 PHE 39 HB1 PHE 39 33.750 6.990 25.009 267 HD1 PHE 39 HD2 PHE 39 33.879 10.727 25.203 268 HD2 PHE 39 HD1 PHE 39 31.438 7.231 24.677 269 HE1 PHE 39 HE2 PHE 39 31.927 12.167 24.686 270 HE2 PHE 39 HE1 PHE 39 29.487 8.671 24.159 271 HZ PHE 39 HZ PHE 39 29.731 11.139 24.164 272 H LEU 40 HN LEU 40 32.704 6.088 26.677 273 HA LEU 40 HA LEU 40 30.352 7.119 27.764 274 HB2 LEU 40 HB2 LEU 40 29.708 4.769 28.149 275 HB3 LEU 40 HB1 LEU 40 30.438 4.985 26.557 276 HG LEU 40 HG LEU 40 32.630 4.467 28.158 277 HD11 LEU 40 HD11 LEU 40 31.136 3.876 30.039 278 HD12 LEU 40 HD12 LEU 40 32.028 2.466 29.465 279 HD13 LEU 40 HD13 LEU 40 30.334 2.679 29.021 280 HD21 LEU 40 HD21 LEU 40 30.915 2.506 26.598 281 HD22 LEU 40 HD22 LEU 40 32.602 2.254 27.047 282 HD23 LEU 40 HD23 LEU 40 32.173 3.539 25.919 283 H LEU 41 HN LEU 41 33.299 6.357 29.303 284 HA LEU 41 HA LEU 41 32.544 5.530 31.844 285 HB2 LEU 41 HB2 LEU 41 34.869 6.872 30.649 286 HB3 LEU 41 HB1 LEU 41 34.639 7.241 32.357 287 HG LEU 41 HG LEU 41 36.071 5.214 31.931 288 HD11 LEU 41 HD11 LEU 41 33.957 3.837 33.280 289 HD12 LEU 41 HD12 LEU 41 33.894 5.534 33.755 290 HD13 LEU 41 HD13 LEU 41 35.378 4.609 33.981 291 HD21 LEU 41 HD21 LEU 41 35.339 3.450 30.692 292 HD22 LEU 41 HD22 LEU 41 34.196 4.616 30.024 293 HD23 LEU 41 HD23 LEU 41 33.702 3.553 31.342 294 H GLY 42 HN GLY 42 33.150 8.899 30.815 295 HA2 GLY 42 HA2 GLY 42 31.074 9.776 32.716 296 HA3 GLY 42 HA1 GLY 42 32.669 10.519 32.771 297 H THR 43 HN THR 43 30.934 9.496 29.869 298 HA THR 43 HA THR 43 31.439 11.870 28.453 299 HB THR 43 HB THR 43 30.898 9.857 27.249 300 HG1 THR 43 HG1 THR 43 29.002 11.936 27.102 301 HG21 THR 43 HG21 THR 43 28.722 8.774 27.423 302 HG22 THR 43 HG22 THR 43 28.171 10.002 28.561 303 HG23 THR 43 HG23 THR 43 29.448 8.879 29.027 304 H THR 44 HN THR 44 28.696 10.868 30.436 305 HA THR 44 HA THR 44 27.317 13.399 29.889 306 HB THR 44 HB THR 44 25.454 12.395 31.154 307 HG1 THR 44 HG1 THR 44 26.530 11.122 32.601 308 HG21 THR 44 HG21 THR 44 26.451 11.599 28.658 309 HG22 THR 44 HG22 THR 44 24.809 11.372 29.256 310 HG23 THR 44 HG23 THR 44 26.009 10.098 29.471 311 H GLY 45 HN GLY 45 27.740 11.503 32.875 312 HA2 GLY 45 HA2 GLY 45 29.033 13.732 34.218 313 HA3 GLY 45 HA1 GLY 45 27.405 13.370 34.782 314 H ASN 46 HN ASN 46 27.054 10.928 35.209 315 HA ASN 46 HA ASN 46 27.509 9.291 36.783 316 HB2 ASN 46 HB2 ASN 46 29.530 9.208 34.639 317 HB3 ASN 46 HB1 ASN 46 29.971 8.336 36.106 318 HD21 ASN 46 HD21 ASN 46 27.873 8.306 33.314 319 HD22 ASN 46 HD22 ASN 46 27.078 6.853 33.684 320 H GLY 47 HN GLY 47 27.692 10.389 38.725 321 HA2 GLY 47 HA2 GLY 47 28.955 10.575 40.718 322 HA3 GLY 47 HA1 GLY 47 30.427 10.631 39.753 323 H LEU 48 HN LEU 48 27.929 12.594 38.544 324 HA LEU 48 HA LEU 48 28.839 14.965 40.022 325 HB2 LEU 48 HB2 LEU 48 29.610 14.327 37.331 326 HB3 LEU 48 HB1 LEU 48 28.572 15.753 37.315 327 HG LEU 48 HG LEU 48 30.967 15.411 39.141 328 HD11 LEU 48 HD11 LEU 48 30.636 16.627 36.414 329 HD12 LEU 48 HD12 LEU 48 31.965 15.656 37.044 330 HD13 LEU 48 HD13 LEU 48 31.786 17.337 37.545 331 HD21 LEU 48 HD21 LEU 48 30.131 18.118 38.635 332 HD22 LEU 48 HD22 LEU 48 30.192 17.259 40.174 333 HD23 LEU 48 HD23 LEU 48 28.740 17.178 39.174 334 H VAL 49 HN VAL 49 26.595 13.563 37.668 335 HA VAL 49 HA VAL 49 24.718 15.620 37.533 336 HB VAL 49 HB VAL 49 24.403 12.621 37.359 337 HG11 VAL 49 HG11 VAL 49 22.196 13.417 36.162 338 HG12 VAL 49 HG12 VAL 49 22.379 14.834 37.197 339 HG13 VAL 49 HG13 VAL 49 22.222 13.231 37.915 340 HG21 VAL 49 HG21 VAL 49 24.896 12.902 35.163 341 HG22 VAL 49 HG22 VAL 49 25.516 14.485 35.635 342 HG23 VAL 49 HG23 VAL 49 23.866 14.327 35.033 343 H LEU 50 HN LEU 50 25.420 13.397 40.100 344 HA LEU 50 HA LEU 50 22.916 13.865 41.496 345 HB2 LEU 50 HB2 LEU 50 24.282 12.620 43.353 346 HB3 LEU 50 HB1 LEU 50 23.714 11.726 41.942 347 HG LEU 50 HG LEU 50 26.367 13.056 41.705 348 HD11 LEU 50 HD11 LEU 50 26.726 12.148 43.867 349 HD12 LEU 50 HD12 LEU 50 27.364 10.927 42.766 350 HD13 LEU 50 HD13 LEU 50 25.779 10.704 43.508 351 HD21 LEU 50 HD21 LEU 50 25.650 10.217 41.010 352 HD22 LEU 50 HD22 LEU 50 26.782 11.304 40.205 353 HD23 LEU 50 HD23 LEU 50 25.045 11.542 40.016 354 H TRP 51 HN TRP 51 26.267 14.945 41.646 355 HA TRP 51 HA TRP 51 26.365 16.200 44.098 356 HB2 TRP 51 HB2 TRP 51 28.374 16.709 43.248 357 HB3 TRP 51 HB1 TRP 51 27.811 16.351 41.615 358 HD1 TRP 51 HD1 TRP 51 26.539 18.388 40.306 359 HE1 TRP 51 HE1 TRP 51 26.932 20.933 40.452 360 HE3 TRP 51 HE3 TRP 51 29.077 18.638 44.731 361 HZ2 TRP 51 HZ2 TRP 51 28.160 22.824 42.212 362 HZ3 TRP 51 HZ3 TRP 51 29.846 20.821 45.618 363 HH2 TRP 51 HH2 TRP 51 29.392 22.912 44.365 364 H THR 52 HN THR 52 24.630 17.158 41.224 365 HA THR 52 HA THR 52 24.098 19.849 42.075 366 HB THR 52 HB THR 52 23.040 18.061 39.904 367 HG1 THR 52 HG1 THR 52 23.937 20.664 39.548 368 HG21 THR 52 HG21 THR 52 21.038 19.152 40.453 369 HG22 THR 52 HG22 THR 52 21.742 20.222 39.239 370 HG23 THR 52 HG23 THR 52 21.868 20.627 40.951 371 H VAL 53 HN VAL 53 22.092 16.902 41.873 372 HA VAL 53 HA VAL 53 19.789 17.947 43.067 373 HB VAL 53 HB VAL 53 20.865 15.119 43.171 374 HG11 VAL 53 HG11 VAL 53 18.195 14.845 43.272 375 HG12 VAL 53 HG12 VAL 53 18.333 16.407 44.081 376 HG13 VAL 53 HG13 VAL 53 19.175 15.000 44.730 377 HG21 VAL 53 HG21 VAL 53 20.511 16.140 40.889 378 HG22 VAL 53 HG22 VAL 53 18.816 16.372 41.318 379 HG23 VAL 53 HG23 VAL 53 19.485 14.744 41.216 380 H PHE 54 HN PHE 54 22.398 16.046 44.595 381 HA PHE 54 HA PHE 54 21.521 16.105 47.214 382 HB2 PHE 54 HB2 PHE 54 23.403 14.821 47.066 383 HB3 PHE 54 HB1 PHE 54 24.173 15.896 45.898 384 HD1 PHE 54 HD2 PHE 54 23.149 15.708 49.495 385 HD2 PHE 54 HD1 PHE 54 25.825 17.413 46.598 386 HE1 PHE 54 HE2 PHE 54 24.455 16.760 51.321 387 HE2 PHE 54 HE1 PHE 54 27.132 18.464 48.425 388 HZ PHE 54 HZ PHE 54 26.448 18.137 50.786 389 H ARG 55 HN ARG 55 22.533 18.727 45.271 390 HA ARG 55 HA ARG 55 23.020 20.442 47.615 391 HB2 ARG 55 HB2 ARG 55 24.147 20.317 45.001 392 HB3 ARG 55 HB1 ARG 55 23.312 21.862 45.157 393 HG2 ARG 55 HG2 ARG 55 24.496 22.242 47.320 394 HG3 ARG 55 HG1 ARG 55 25.394 20.747 47.058 395 HD2 ARG 55 HD2 ARG 55 26.904 22.101 46.030 396 HD3 ARG 55 HD1 ARG 55 25.786 22.013 44.672 397 HE ARG 55 HE ARG 55 25.024 24.106 46.443 398 HH11 ARG 55 HH21 ARG 55 27.378 23.191 44.078 399 HH12 ARG 55 HH22 ARG 55 27.709 24.816 43.577 400 HH21 ARG 55 HH11 ARG 55 25.452 26.240 45.791 401 HH22 ARG 55 HH12 ARG 55 26.618 26.542 44.547 402 H LYS 56 HN LYS 56 20.985 20.143 44.732 403 HA LYS 56 HA LYS 56 19.536 22.440 44.715 404 HB2 LYS 56 HB2 LYS 56 18.608 19.593 44.356 405 HB3 LYS 56 HB1 LYS 56 17.536 20.969 44.098 406 HG2 LYS 56 HG2 LYS 56 20.215 21.053 42.786 407 HG3 LYS 56 HG1 LYS 56 19.014 19.949 42.113 408 HD2 LYS 56 HD2 LYS 56 17.434 21.751 41.799 409 HD3 LYS 56 HD1 LYS 56 18.477 22.879 42.664 410 HE2 LYS 56 HE2 LYS 56 19.579 21.447 40.274 411 HE3 LYS 56 HE1 LYS 56 18.490 22.811 40.019 412 HZ1 LYS 56 HZ1 LYS 56 20.539 23.822 40.125 413 HZ2 LYS 56 HZ2 LYS 56 21.134 22.763 41.314 414 HZ3 LYS 56 HZ3 LYS 56 20.011 23.969 41.730 415 H LYS 57 HN LYS 57 19.124 19.736 46.967 416 HA LYS 57 HA LYS 57 16.950 21.063 48.361 417 HB2 LYS 57 HB2 LYS 57 18.485 18.545 49.047 418 HB3 LYS 57 HB1 LYS 57 17.010 19.102 49.838 419 HG2 LYS 57 HG2 LYS 57 15.753 18.157 48.232 420 HG3 LYS 57 HG1 LYS 57 16.597 19.086 46.993 421 HD2 LYS 57 HD2 LYS 57 18.346 17.407 46.848 422 HD3 LYS 57 HD1 LYS 57 17.655 16.516 48.204 423 HE2 LYS 57 HE2 LYS 57 16.203 17.036 45.594 424 HE3 LYS 57 HE1 LYS 57 17.055 15.539 45.974 425 HZ1 LYS 57 HZ1 LYS 57 15.618 15.220 47.869 426 HZ2 LYS 57 HZ2 LYS 57 14.680 15.401 46.465 427 HZ3 LYS 57 HZ3 LYS 57 14.825 16.687 47.564 428 H GLY 58 HN GLY 58 19.265 22.642 48.295 429 HA2 GLY 58 HA2 GLY 58 20.547 22.372 50.912 430 HA3 GLY 58 HA1 GLY 58 20.988 23.516 49.647 431 H HIS 59 HN HIS 59 17.694 23.016 50.753 432 HA HIS 59 HA HIS 59 17.467 25.835 51.406 433 HB2 HIS 59 HB2 HIS 59 15.494 23.546 51.388 434 HB3 HIS 59 HB1 HIS 59 15.067 25.180 51.899 435 HD2 HIS 59 HD2 HIS 59 14.204 23.572 48.894 436 HE1 HIS 59 HE1 HIS 59 16.173 26.966 47.335 437 HE2 HIS 59 HE2 HIS 59 14.596 25.055 46.780 438 H HIS 60 HN HIS 60 16.358 22.953 53.192 439 HA HIS 60 HA HIS 60 16.102 22.651 55.473 440 HB2 HIS 60 HB2 HIS 60 18.616 22.284 54.849 441 HB3 HIS 60 HB1 HIS 60 18.867 23.779 55.751 442 HD2 HIS 60 HD2 HIS 60 17.104 20.277 56.510 443 HE1 HIS 60 HE1 HIS 60 18.673 21.863 60.094 444 HE2 HIS 60 HE2 HIS 60 17.468 19.879 59.065 445 H HIS 61 HN HIS 61 14.791 24.899 54.913 446 HA HIS 61 HA HIS 61 15.733 27.244 56.217 447 HB2 HIS 61 HB2 HIS 61 13.009 26.320 55.315 448 HB3 HIS 61 HB1 HIS 61 13.240 27.854 56.152 449 HD2 HIS 61 HD2 HIS 61 12.788 27.120 52.666 450 HE1 HIS 61 HE1 HIS 61 16.181 29.628 52.540 451 HE2 HIS 61 HE2 HIS 61 14.319 28.599 51.154 452 H HIS 62 HN HIS 62 12.805 25.487 57.186 453 HA HIS 62 HA HIS 62 11.865 25.258 59.288 454 HB2 HIS 62 HB2 HIS 62 13.618 23.401 59.039 455 HB3 HIS 62 HB1 HIS 62 14.634 24.379 60.099 456 HD2 HIS 62 HD2 HIS 62 11.125 22.533 60.300 457 HE1 HIS 62 HE1 HIS 62 12.502 23.286 64.219 458 HE2 HIS 62 HE2 HIS 62 10.684 22.163 62.846 459 H HIS 63 HN HIS 63 11.669 27.604 59.542 460 HA HIS 63 HA HIS 63 13.578 29.242 60.774 461 HB2 HIS 63 HB2 HIS 63 11.341 30.399 61.645 462 HB3 HIS 63 HB1 HIS 63 11.830 30.488 59.952 463 HD2 HIS 63 HD2 HIS 63 9.134 28.651 62.154 464 HE1 HIS 63 HE1 HIS 63 8.279 27.873 58.095 465 HE2 HIS 63 HE2 HIS 63 7.433 27.603 60.473 466 H HIS 64 HN HIS 64 14.425 29.215 62.748 467 HA HIS 64 HA HIS 64 12.998 28.922 65.141 468 HB2 HIS 64 HB2 HIS 64 12.601 26.644 64.792 469 HB3 HIS 64 HB1 HIS 64 14.169 26.389 64.025 470 HD2 HIS 64 HD2 HIS 64 13.909 28.178 67.530 471 HE1 HIS 64 HE1 HIS 64 15.792 24.439 68.077 472 HE2 HIS 64 HE2 HIS 64 15.148 26.615 69.216 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 15.512 -54.447 -8.081 2 H2 MET 1 HT2 MET 1 14.518 -53.094 -7.820 3 H3 MET 1 HT3 MET 1 13.929 -54.655 -7.505 4 HA MET 1 HA MET 1 14.426 -53.837 -5.404 5 HB2 MET 1 HB2 MET 1 16.427 -55.666 -6.624 6 HB3 MET 1 HB1 MET 1 16.854 -54.973 -5.059 7 HG2 MET 1 HG2 MET 1 14.978 -55.921 -3.991 8 HG3 MET 1 HG1 MET 1 14.139 -56.200 -5.517 9 HE1 MET 1 HE1 MET 1 16.126 -59.228 -3.161 10 HE2 MET 1 HE2 MET 1 14.811 -58.077 -2.940 11 HE3 MET 1 HE3 MET 1 16.482 -57.527 -2.837 12 H GLU 2 HN GLU 2 15.298 -52.213 -4.222 13 HA GLU 2 HA GLU 2 17.173 -50.419 -5.585 14 HB2 GLU 2 HB2 GLU 2 15.555 -50.057 -3.051 15 HB3 GLU 2 HB1 GLU 2 16.573 -48.822 -3.794 16 HG2 GLU 2 HG2 GLU 2 15.151 -48.539 -5.605 17 HG3 GLU 2 HG1 GLU 2 14.499 -50.172 -5.480 18 H GLU 3 HN GLU 3 19.043 -51.771 -5.311 19 HA GLU 3 HA GLU 3 20.248 -51.452 -2.647 20 HB2 GLU 3 HB2 GLU 3 19.906 -54.019 -4.171 21 HB3 GLU 3 HB1 GLU 3 21.273 -53.804 -3.076 22 HG2 GLU 3 HG2 GLU 3 19.739 -53.278 -1.233 23 HG3 GLU 3 HG1 GLU 3 18.360 -53.441 -2.319 24 H GLY 4 HN GLY 4 21.124 -49.655 -4.098 25 HA2 GLY 4 HA2 GLY 4 23.752 -49.743 -4.527 26 HA3 GLY 4 HA1 GLY 4 23.166 -50.511 -6.000 27 H GLY 5 HN GLY 5 20.741 -48.928 -6.163 28 HA2 GLY 5 HA2 GLY 5 21.704 -46.742 -7.686 29 HA3 GLY 5 HA1 GLY 5 20.027 -47.013 -7.221 30 H ASP 6 HN ASP 6 22.961 -45.328 -6.508 31 HA ASP 6 HA ASP 6 21.529 -43.473 -4.804 32 HB2 ASP 6 HB2 ASP 6 22.754 -45.591 -3.532 33 HB3 ASP 6 HB1 ASP 6 23.986 -44.331 -3.461 34 H PHE 7 HN PHE 7 22.632 -41.498 -4.527 35 HA PHE 7 HA PHE 7 24.628 -40.983 -6.582 36 HB2 PHE 7 HB2 PHE 7 23.733 -38.876 -4.668 37 HB3 PHE 7 HB1 PHE 7 24.046 -38.763 -6.401 38 HD1 PHE 7 HD2 PHE 7 22.458 -40.958 -7.507 39 HD2 PHE 7 HD1 PHE 7 21.502 -38.200 -4.356 40 HE1 PHE 7 HE2 PHE 7 20.043 -41.271 -7.967 41 HE2 PHE 7 HE1 PHE 7 19.086 -38.513 -4.816 42 HZ PHE 7 HZ PHE 7 18.355 -40.049 -6.621 43 H ASP 8 HN ASP 8 26.501 -39.539 -6.003 44 HA ASP 8 HA ASP 8 27.514 -39.801 -3.287 45 HB2 ASP 8 HB2 ASP 8 28.128 -41.939 -4.490 46 HB3 ASP 8 HB1 ASP 8 29.107 -40.959 -5.579 47 H ASN 9 HN ASN 9 26.781 -37.522 -4.693 48 HA ASN 9 HA ASN 9 29.349 -36.130 -4.806 49 HB2 ASN 9 HB2 ASN 9 28.556 -36.942 -7.161 50 HB3 ASN 9 HB1 ASN 9 27.395 -35.622 -7.025 51 HD21 ASN 9 HD21 ASN 9 29.675 -35.747 -8.911 52 HD22 ASN 9 HD22 ASN 9 30.670 -34.424 -8.540 53 H TYR 10 HN TYR 10 27.502 -35.986 -2.784 54 HA TYR 10 HA TYR 10 25.491 -34.055 -3.007 55 HB2 TYR 10 HB2 TYR 10 26.644 -35.574 -0.945 56 HB3 TYR 10 HB1 TYR 10 26.822 -33.892 -0.446 57 HD1 TYR 10 HD2 TYR 10 24.738 -32.367 -0.651 58 HD2 TYR 10 HD1 TYR 10 24.567 -36.658 -0.737 59 HE1 TYR 10 HE2 TYR 10 22.328 -32.283 -0.071 60 HE2 TYR 10 HE1 TYR 10 22.157 -36.574 -0.156 61 HH TYR 10 HH TYR 10 20.244 -34.606 -0.538 62 H TYR 11 HN TYR 11 25.440 -31.853 -2.844 63 HA TYR 11 HA TYR 11 27.577 -30.325 -3.747 64 HB2 TYR 11 HB2 TYR 11 25.336 -29.358 -1.956 65 HB3 TYR 11 HB1 TYR 11 26.301 -28.381 -3.062 66 HD1 TYR 11 HD1 TYR 11 26.070 -28.648 -5.514 67 HD2 TYR 11 HD2 TYR 11 23.567 -30.796 -2.762 68 HE1 TYR 11 HE1 TYR 11 24.505 -29.189 -7.359 69 HE2 TYR 11 HE2 TYR 11 22.002 -31.338 -4.608 70 HH TYR 11 HH TYR 11 22.511 -31.468 -7.469 71 H GLY 12 HN GLY 12 29.504 -30.089 -2.817 72 HA2 GLY 12 HA2 GLY 12 29.679 -29.989 0.126 73 HA3 GLY 12 HA1 GLY 12 31.006 -30.380 -0.965 74 H ALA 13 HN ALA 13 29.056 -27.804 0.385 75 HA ALA 13 HA ALA 13 31.175 -25.891 -0.342 76 HB1 ALA 13 HB1 ALA 13 28.202 -25.446 -0.695 77 HB2 ALA 13 HB2 ALA 13 29.411 -25.536 -1.976 78 HB3 ALA 13 HB3 ALA 13 29.430 -24.188 -0.839 79 H ASP 14 HN ASP 14 31.015 -27.107 2.109 80 HA ASP 14 HA ASP 14 29.645 -25.208 3.889 81 HB2 ASP 14 HB2 ASP 14 29.947 -26.823 5.625 82 HB3 ASP 14 HB1 ASP 14 29.402 -27.707 4.202 83 H ASN 15 HN ASN 15 31.722 -24.024 2.599 84 HA ASN 15 HA ASN 15 33.699 -23.712 4.766 85 HB2 ASN 15 HB2 ASN 15 34.196 -24.251 1.860 86 HB3 ASN 15 HB1 ASN 15 35.337 -23.257 2.767 87 HD21 ASN 15 HD21 ASN 15 34.539 -26.477 2.004 88 HD22 ASN 15 HD22 ASN 15 35.445 -27.241 3.219 89 H GLN 16 HN GLN 16 33.687 -22.238 1.584 90 HA GLN 16 HA GLN 16 33.984 -19.957 1.124 91 HB2 GLN 16 HB2 GLN 16 31.659 -18.895 1.361 92 HB3 GLN 16 HB1 GLN 16 31.797 -20.352 0.376 93 HG2 GLN 16 HG2 GLN 16 31.020 -21.731 2.230 94 HG3 GLN 16 HG1 GLN 16 30.975 -20.325 3.293 95 HE21 GLN 16 HE21 GLN 16 29.242 -22.071 0.821 96 HE22 GLN 16 HE22 GLN 16 27.893 -21.043 0.763 97 H SER 17 HN SER 17 35.243 -20.235 3.512 98 HA SER 17 HA SER 17 34.131 -18.208 5.322 99 HB2 SER 17 HB2 SER 17 35.928 -20.501 5.603 100 HB3 SER 17 HB1 SER 17 36.516 -19.057 6.422 101 HG SER 17 HG SER 17 33.914 -20.180 6.659 102 H GLU 18 HN GLU 18 34.670 -16.164 4.938 103 HA GLU 18 HA GLU 18 37.258 -15.577 3.655 104 HB2 GLU 18 HB2 GLU 18 34.674 -14.047 3.899 105 HB3 GLU 18 HB1 GLU 18 36.176 -13.249 3.433 106 HG2 GLU 18 HG2 GLU 18 36.445 -14.862 1.573 107 HG3 GLU 18 HG1 GLU 18 34.919 -15.620 2.023 108 H CYS 19 HN CYS 19 38.857 -15.125 5.021 109 HA CYS 19 HA CYS 19 38.314 -14.125 7.694 110 HB2 CYS 19 HB2 CYS 19 40.988 -14.606 6.363 111 HB3 CYS 19 HB1 CYS 19 40.671 -14.443 8.091 112 HG CYS 19 HG CYS 19 39.066 -16.728 6.891 113 H GLU 20 HN GLU 20 37.464 -12.306 5.776 114 HA GLU 20 HA GLU 20 39.123 -10.012 6.465 115 HB2 GLU 20 HB2 GLU 20 40.181 -10.588 4.404 116 HB3 GLU 20 HB1 GLU 20 38.632 -10.887 3.615 117 HG2 GLU 20 HG2 GLU 20 38.127 -8.624 3.438 118 HG3 GLU 20 HG1 GLU 20 39.163 -8.182 4.794 119 H TYR 21 HN TYR 21 36.246 -11.319 4.896 120 HA TYR 21 HA TYR 21 34.833 -8.846 4.737 121 HB2 TYR 21 HB2 TYR 21 34.409 -11.165 3.556 122 HB3 TYR 21 HB1 TYR 21 33.408 -11.466 4.976 123 HD1 TYR 21 HD2 TYR 21 34.020 -8.960 2.268 124 HD2 TYR 21 HD1 TYR 21 31.239 -10.560 5.123 125 HE1 TYR 21 HE2 TYR 21 32.218 -7.562 1.294 126 HE2 TYR 21 HE1 TYR 21 29.436 -9.161 4.150 127 HH TYR 21 HH TYR 21 29.147 -8.061 1.585 128 H THR 22 HN THR 22 35.981 -10.139 7.399 129 HA THR 22 HA THR 22 33.745 -9.168 9.036 130 HB THR 22 HB THR 22 35.119 -11.581 10.070 131 HG1 THR 22 HG1 THR 22 33.073 -11.789 8.130 132 HG21 THR 22 HG21 THR 22 33.183 -10.177 11.090 133 HG22 THR 22 HG22 THR 22 33.050 -11.935 11.129 134 HG23 THR 22 HG23 THR 22 32.166 -11.012 9.914 135 H ASP 23 HN ASP 23 36.614 -8.423 8.213 136 HA ASP 23 HA ASP 23 37.494 -7.751 10.940 137 HB2 ASP 23 HB2 ASP 23 39.484 -8.793 10.776 138 HB3 ASP 23 HB1 ASP 23 38.748 -9.713 9.465 139 H TRP 24 HN TRP 24 36.450 -6.612 8.123 140 HA TRP 24 HA TRP 24 38.282 -4.749 7.182 141 HB2 TRP 24 HB2 TRP 24 36.061 -3.381 6.729 142 HB3 TRP 24 HB1 TRP 24 36.402 -4.868 5.853 143 HD1 TRP 24 HD1 TRP 24 35.328 -5.015 9.502 144 HE1 TRP 24 HE1 TRP 24 32.996 -6.099 9.642 145 HE3 TRP 24 HE3 TRP 24 34.163 -5.245 4.535 146 HZ2 TRP 24 HZ2 TRP 24 30.910 -6.954 7.880 147 HZ3 TRP 24 HZ3 TRP 24 31.999 -6.199 3.795 148 HH2 TRP 24 HH2 TRP 24 30.372 -7.052 5.460 149 H LYS 25 HN LYS 25 35.574 -3.107 8.533 150 HA LYS 25 HA LYS 25 37.349 -1.372 10.043 151 HB2 LYS 25 HB2 LYS 25 35.263 -0.067 10.455 152 HB3 LYS 25 HB1 LYS 25 35.601 -0.322 8.744 153 HG2 LYS 25 HG2 LYS 25 33.673 -1.447 8.459 154 HG3 LYS 25 HG1 LYS 25 34.039 -2.518 9.814 155 HD2 LYS 25 HD2 LYS 25 33.231 -0.795 11.389 156 HD3 LYS 25 HD1 LYS 25 32.844 0.261 10.030 157 HE2 LYS 25 HE2 LYS 25 31.677 -2.511 10.407 158 HE3 LYS 25 HE1 LYS 25 30.863 -1.023 10.891 159 HZ1 LYS 25 HZ1 LYS 25 31.822 -0.842 8.226 160 HZ2 LYS 25 HZ2 LYS 25 30.239 -0.653 8.814 161 HZ3 LYS 25 HZ3 LYS 25 30.818 -2.198 8.404 162 H SER 26 HN SER 26 37.679 -3.619 11.299 163 HA SER 26 HA SER 26 36.363 -3.204 13.861 164 HB2 SER 26 HB2 SER 26 35.730 -5.471 12.079 165 HB3 SER 26 HB1 SER 26 36.097 -5.906 13.746 166 HG SER 26 HG SER 26 33.897 -4.734 12.718 167 H SER 27 HN SER 27 37.987 -6.073 12.554 168 HA SER 27 HA SER 27 39.885 -7.175 13.245 169 HB2 SER 27 HB2 SER 27 40.811 -4.305 13.480 170 HB3 SER 27 HB1 SER 27 41.880 -5.699 13.599 171 HG SER 27 HG SER 27 40.321 -5.971 11.450 172 H GLY 28 HN GLY 28 37.888 -6.749 15.244 173 HA2 GLY 28 HA2 GLY 28 37.646 -7.126 17.505 174 HA3 GLY 28 HA1 GLY 28 39.387 -7.386 17.580 175 H ALA 29 HN ALA 29 38.633 -4.432 16.141 176 HA ALA 29 HA ALA 29 38.997 -2.261 16.804 177 HB1 ALA 29 HB1 ALA 29 37.501 -3.361 19.187 178 HB2 ALA 29 HB2 ALA 29 36.845 -2.441 17.832 179 HB3 ALA 29 HB3 ALA 29 37.903 -1.653 19.002 180 H LEU 30 HN LEU 30 41.229 -2.198 16.903 181 HA LEU 30 HA LEU 30 42.710 -3.175 19.157 182 HB2 LEU 30 HB2 LEU 30 43.537 -1.242 16.978 183 HB3 LEU 30 HB1 LEU 30 44.624 -2.071 18.093 184 HG LEU 30 HG LEU 30 43.102 -4.140 17.053 185 HD11 LEU 30 HD11 LEU 30 42.170 -2.573 15.366 186 HD12 LEU 30 HD12 LEU 30 43.154 -3.830 14.618 187 HD13 LEU 30 HD13 LEU 30 43.808 -2.206 14.825 188 HD21 LEU 30 HD21 LEU 30 45.772 -3.055 16.095 189 HD22 LEU 30 HD22 LEU 30 45.180 -4.694 15.816 190 HD23 LEU 30 HD23 LEU 30 45.532 -4.150 17.457 191 H ILE 31 HN ILE 31 42.890 0.148 17.951 192 HA ILE 31 HA ILE 31 43.167 1.130 20.657 193 HB ILE 31 HB ILE 31 43.456 2.299 17.922 194 HG12 ILE 31 HG12 ILE 31 45.238 1.198 19.545 195 HG13 ILE 31 HG11 ILE 31 45.655 2.617 18.585 196 HG21 ILE 31 HG21 ILE 31 42.866 3.833 20.457 197 HG22 ILE 31 HG22 ILE 31 42.163 4.046 18.853 198 HG23 ILE 31 HG23 ILE 31 43.827 4.538 19.157 199 HD11 ILE 31 HD11 ILE 31 46.238 2.654 21.110 200 HD12 ILE 31 HD12 ILE 31 44.512 2.905 21.363 201 HD13 ILE 31 HD13 ILE 31 45.444 4.074 20.431 202 HA PRO 32 HA PRO 32 38.944 3.203 19.206 203 HB2 PRO 32 HB2 PRO 32 37.708 0.747 18.082 204 HB3 PRO 32 HB1 PRO 32 37.608 2.424 17.513 205 HG2 PRO 32 HG2 PRO 32 39.059 0.590 16.230 206 HG3 PRO 32 HG1 PRO 32 39.568 2.284 16.335 207 HD2 PRO 32 HD2 PRO 32 40.603 -0.093 17.831 208 HD3 PRO 32 HD1 PRO 32 41.478 1.333 17.232 209 H ALA 33 HN ALA 33 39.472 -0.091 20.289 210 HA ALA 33 HA ALA 33 37.120 -0.359 21.866 211 HB1 ALA 33 HB1 ALA 33 39.810 -1.735 21.984 212 HB2 ALA 33 HB2 ALA 33 38.322 -2.342 21.255 213 HB3 ALA 33 HB3 ALA 33 38.444 -2.181 23.007 214 H ILE 34 HN ILE 34 40.154 1.245 22.350 215 HA ILE 34 HA ILE 34 39.808 1.450 25.236 216 HB ILE 34 HB ILE 34 41.875 2.613 23.355 217 HG12 ILE 34 HG12 ILE 34 42.152 0.452 25.460 218 HG13 ILE 34 HG11 ILE 34 41.821 0.100 23.764 219 HG21 ILE 34 HG21 ILE 34 41.763 4.102 25.208 220 HG22 ILE 34 HG22 ILE 34 43.089 3.002 25.585 221 HG23 ILE 34 HG23 ILE 34 41.518 2.782 26.352 222 HD11 ILE 34 HD11 ILE 34 43.890 1.047 23.058 223 HD12 ILE 34 HD12 ILE 34 44.284 0.060 24.465 224 HD13 ILE 34 HD13 ILE 34 44.159 1.811 24.623 225 H TYR 35 HN TYR 35 39.220 3.319 22.354 226 HA TYR 35 HA TYR 35 39.003 5.884 23.516 227 HB2 TYR 35 HB2 TYR 35 38.255 4.602 20.977 228 HB3 TYR 35 HB1 TYR 35 37.217 5.950 21.443 229 HD1 TYR 35 HD2 TYR 35 38.371 8.143 22.178 230 HD2 TYR 35 HD1 TYR 35 40.377 5.004 20.041 231 HE1 TYR 35 HE2 TYR 35 40.133 9.743 21.483 232 HE2 TYR 35 HE1 TYR 35 42.140 6.604 19.345 233 HH TYR 35 HH TYR 35 42.176 9.274 19.030 234 H MET 36 HN MET 36 36.499 3.462 22.753 235 HA MET 36 HA MET 36 34.327 4.899 23.825 236 HB2 MET 36 HB2 MET 36 34.711 1.907 23.562 237 HB3 MET 36 HB1 MET 36 33.173 2.714 23.867 238 HG2 MET 36 HG2 MET 36 33.007 3.513 21.722 239 HG3 MET 36 HG1 MET 36 34.753 3.694 21.544 240 HE1 MET 36 HE1 MET 36 34.368 1.320 18.660 241 HE2 MET 36 HE2 MET 36 35.194 2.717 19.343 242 HE3 MET 36 HE3 MET 36 33.450 2.764 19.104 243 H LEU 37 HN LEU 37 36.509 2.510 25.280 244 HA LEU 37 HA LEU 37 35.252 2.238 27.761 245 HB2 LEU 37 HB2 LEU 37 37.926 1.728 26.652 246 HB3 LEU 37 HB1 LEU 37 37.925 2.058 28.382 247 HG LEU 37 HG LEU 37 37.641 -0.377 27.805 248 HD11 LEU 37 HD11 LEU 37 36.171 1.220 29.659 249 HD12 LEU 37 HD12 LEU 37 36.624 -0.476 29.807 250 HD13 LEU 37 HD13 LEU 37 35.090 -0.036 29.058 251 HD21 LEU 37 HD21 LEU 37 35.945 0.549 25.864 252 HD22 LEU 37 HD22 LEU 37 34.801 0.034 27.104 253 HD23 LEU 37 HD23 LEU 37 35.967 -1.115 26.449 254 H VAL 38 HN VAL 38 36.421 5.023 26.399 255 HA VAL 38 HA VAL 38 36.637 6.320 29.042 256 HB VAL 38 HB VAL 38 38.388 6.858 26.632 257 HG11 VAL 38 HG11 VAL 38 39.500 8.251 28.657 258 HG12 VAL 38 HG12 VAL 38 37.807 8.351 29.141 259 HG13 VAL 38 HG13 VAL 38 38.310 8.955 27.562 260 HG21 VAL 38 HG21 VAL 38 38.834 5.537 29.313 261 HG22 VAL 38 HG22 VAL 38 40.170 6.227 28.390 262 HG23 VAL 38 HG23 VAL 38 39.215 4.910 27.709 263 H PHE 39 HN PHE 39 34.797 6.025 26.440 264 HA PHE 39 HA PHE 39 34.171 8.908 26.221 265 HB2 PHE 39 HB2 PHE 39 34.818 7.418 24.153 266 HB3 PHE 39 HB1 PHE 39 33.145 6.873 24.281 267 HD1 PHE 39 HD2 PHE 39 35.108 10.072 24.410 268 HD2 PHE 39 HD1 PHE 39 31.525 8.086 23.118 269 HE1 PHE 39 HE2 PHE 39 34.349 12.158 23.304 270 HE2 PHE 39 HE1 PHE 39 30.766 10.171 22.014 271 HZ PHE 39 HZ PHE 39 32.178 12.207 22.107 272 H LEU 40 HN LEU 40 33.216 6.248 27.846 273 HA LEU 40 HA LEU 40 30.419 7.183 27.962 274 HB2 LEU 40 HB2 LEU 40 29.677 4.834 28.200 275 HB3 LEU 40 HB1 LEU 40 30.423 5.137 26.632 276 HG LEU 40 HG LEU 40 32.590 4.407 28.177 277 HD11 LEU 40 HD11 LEU 40 31.090 3.771 30.038 278 HD12 LEU 40 HD12 LEU 40 31.903 2.359 29.365 279 HD13 LEU 40 HD13 LEU 40 30.218 2.683 28.959 280 HD21 LEU 40 HD21 LEU 40 32.063 3.637 25.890 281 HD22 LEU 40 HD22 LEU 40 30.770 2.622 26.528 282 HD23 LEU 40 HD23 LEU 40 32.450 2.271 26.935 283 H LEU 41 HN LEU 41 33.273 6.135 29.546 284 HA LEU 41 HA LEU 41 32.322 5.264 32.020 285 HB2 LEU 41 HB2 LEU 41 34.837 6.428 30.992 286 HB3 LEU 41 HB1 LEU 41 34.576 6.600 32.728 287 HG LEU 41 HG LEU 41 34.193 4.188 32.935 288 HD11 LEU 41 HD11 LEU 41 34.939 2.919 30.705 289 HD12 LEU 41 HD12 LEU 41 34.289 4.377 29.956 290 HD13 LEU 41 HD13 LEU 41 33.260 3.380 30.984 291 HD21 LEU 41 HD21 LEU 41 36.479 4.801 33.223 292 HD22 LEU 41 HD22 LEU 41 36.703 5.066 31.494 293 HD23 LEU 41 HD23 LEU 41 36.510 3.428 32.117 294 H GLY 42 HN GLY 42 33.363 8.571 31.147 295 HA2 GLY 42 HA2 GLY 42 31.296 9.651 32.931 296 HA3 GLY 42 HA1 GLY 42 32.970 10.102 33.242 297 H THR 43 HN THR 43 31.211 9.669 30.177 298 HA THR 43 HA THR 43 32.302 12.152 29.159 299 HB THR 43 HB THR 43 31.872 9.964 27.842 300 HG1 THR 43 HG1 THR 43 32.488 11.745 26.732 301 HG21 THR 43 HG21 THR 43 29.704 9.571 27.016 302 HG22 THR 43 HG22 THR 43 29.150 11.189 27.446 303 HG23 THR 43 HG23 THR 43 29.422 9.986 28.706 304 H THR 44 HN THR 44 29.275 10.991 30.467 305 HA THR 44 HA THR 44 27.862 13.434 29.707 306 HB THR 44 HB THR 44 26.027 12.213 31.139 307 HG1 THR 44 HG1 THR 44 27.828 10.667 31.739 308 HG21 THR 44 HG21 THR 44 25.794 10.601 29.022 309 HG22 THR 44 HG22 THR 44 27.053 11.665 28.392 310 HG23 THR 44 HG23 THR 44 25.502 12.337 28.899 311 H GLY 45 HN GLY 45 27.595 11.745 32.793 312 HA2 GLY 45 HA2 GLY 45 28.846 13.907 34.273 313 HA3 GLY 45 HA1 GLY 45 27.098 13.804 34.461 314 H ASN 46 HN ASN 46 28.727 10.845 33.868 315 HA ASN 46 HA ASN 46 27.915 9.761 36.393 316 HB2 ASN 46 HB2 ASN 46 29.407 8.736 34.006 317 HB3 ASN 46 HB1 ASN 46 29.441 7.813 35.507 318 HD21 ASN 46 HD21 ASN 46 27.500 8.622 32.745 319 HD22 ASN 46 HD22 ASN 46 26.100 7.794 33.230 320 H GLY 47 HN GLY 47 29.151 11.521 37.590 321 HA2 GLY 47 HA2 GLY 47 31.435 10.368 38.828 322 HA3 GLY 47 HA1 GLY 47 31.925 11.669 37.747 323 H LEU 48 HN LEU 48 30.196 13.621 38.008 324 HA LEU 48 HA LEU 48 30.479 14.427 40.807 325 HB2 LEU 48 HB2 LEU 48 30.613 15.762 38.288 326 HB3 LEU 48 HB1 LEU 48 29.295 16.476 39.218 327 HG LEU 48 HG LEU 48 32.105 16.034 40.272 328 HD11 LEU 48 HD11 LEU 48 32.457 18.392 39.977 329 HD12 LEU 48 HD12 LEU 48 30.772 18.648 39.526 330 HD13 LEU 48 HD13 LEU 48 31.852 17.776 38.439 331 HD21 LEU 48 HD21 LEU 48 30.642 17.999 41.712 332 HD22 LEU 48 HD22 LEU 48 31.164 16.415 42.285 333 HD23 LEU 48 HD23 LEU 48 29.579 16.604 41.535 334 H VAL 49 HN VAL 49 28.047 13.528 38.495 335 HA VAL 49 HA VAL 49 25.777 14.691 39.685 336 HB VAL 49 HB VAL 49 26.058 12.127 38.103 337 HG11 VAL 49 HG11 VAL 49 23.716 13.550 39.289 338 HG12 VAL 49 HG12 VAL 49 23.960 11.825 39.014 339 HG13 VAL 49 HG13 VAL 49 23.527 12.880 37.668 340 HG21 VAL 49 HG21 VAL 49 24.970 14.788 37.179 341 HG22 VAL 49 HG22 VAL 49 25.548 13.440 36.200 342 HG23 VAL 49 HG23 VAL 49 26.696 14.430 37.101 343 H LEU 50 HN LEU 50 27.754 12.027 40.639 344 HA LEU 50 HA LEU 50 25.733 10.921 42.430 345 HB2 LEU 50 HB2 LEU 50 28.593 10.062 42.503 346 HB3 LEU 50 HB1 LEU 50 27.127 9.100 42.684 347 HG LEU 50 HG LEU 50 28.197 10.295 40.110 348 HD11 LEU 50 HD11 LEU 50 27.925 7.477 41.180 349 HD12 LEU 50 HD12 LEU 50 29.400 8.303 40.680 350 HD13 LEU 50 HD13 LEU 50 28.204 7.830 39.474 351 HD21 LEU 50 HD21 LEU 50 25.930 10.403 39.692 352 HD22 LEU 50 HD22 LEU 50 25.545 9.164 40.885 353 HD23 LEU 50 HD23 LEU 50 26.189 8.701 39.311 354 H TRP 51 HN TRP 51 28.441 13.089 42.495 355 HA TRP 51 HA TRP 51 29.045 12.958 45.261 356 HB2 TRP 51 HB2 TRP 51 30.717 14.112 44.236 357 HB3 TRP 51 HB1 TRP 51 29.644 14.777 43.005 358 HD1 TRP 51 HD1 TRP 51 28.162 16.925 43.700 359 HE1 TRP 51 HE1 TRP 51 28.603 18.776 45.443 360 HE3 TRP 51 HE3 TRP 51 31.775 14.653 46.505 361 HZ2 TRP 51 HZ2 TRP 51 30.270 19.230 47.722 362 HZ3 TRP 51 HZ3 TRP 51 32.771 15.816 48.453 363 HH2 TRP 51 HH2 TRP 51 32.024 18.099 49.065 364 H THR 52 HN THR 52 26.321 14.081 43.615 365 HA THR 52 HA THR 52 25.602 16.100 45.595 366 HB THR 52 HB THR 52 24.436 15.139 43.007 367 HG1 THR 52 HG1 THR 52 25.367 17.512 44.168 368 HG21 THR 52 HG21 THR 52 22.446 15.148 44.269 369 HG22 THR 52 HG22 THR 52 22.509 16.773 43.588 370 HG23 THR 52 HG23 THR 52 22.980 16.502 45.266 371 H VAL 53 HN VAL 53 24.237 13.043 44.364 372 HA VAL 53 HA VAL 53 22.100 12.696 46.025 373 HB VAL 53 HB VAL 53 24.112 10.624 45.122 374 HG11 VAL 53 HG11 VAL 53 21.462 10.393 46.546 375 HG12 VAL 53 HG12 VAL 53 22.982 9.576 46.911 376 HG13 VAL 53 HG13 VAL 53 22.042 9.102 45.494 377 HG21 VAL 53 HG21 VAL 53 22.272 10.143 43.467 378 HG22 VAL 53 HG22 VAL 53 23.002 11.738 43.275 379 HG23 VAL 53 HG23 VAL 53 21.433 11.576 44.062 380 H PHE 54 HN PHE 54 25.337 11.385 46.754 381 HA PHE 54 HA PHE 54 24.767 10.705 49.425 382 HB2 PHE 54 HB2 PHE 54 26.839 9.846 49.346 383 HB3 PHE 54 HB1 PHE 54 26.910 10.415 47.678 384 HD1 PHE 54 HD2 PHE 54 27.622 12.884 47.305 385 HD2 PHE 54 HD1 PHE 54 28.329 10.716 50.945 386 HE1 PHE 54 HE2 PHE 54 29.402 14.498 47.921 387 HE2 PHE 54 HE1 PHE 54 30.109 12.329 51.561 388 HZ PHE 54 HZ PHE 54 30.644 14.220 50.049 389 H ARG 55 HN ARG 55 24.661 13.708 48.190 390 HA ARG 55 HA ARG 55 25.769 14.987 50.614 391 HB2 ARG 55 HB2 ARG 55 26.051 15.604 47.840 392 HB3 ARG 55 HB1 ARG 55 25.168 16.919 48.615 393 HG2 ARG 55 HG2 ARG 55 27.764 15.754 49.670 394 HG3 ARG 55 HG1 ARG 55 27.657 17.217 48.690 395 HD2 ARG 55 HD2 ARG 55 27.151 18.432 50.508 396 HD3 ARG 55 HD1 ARG 55 25.757 17.406 50.829 397 HE ARG 55 HE ARG 55 27.014 16.271 52.430 398 HH11 ARG 55 HH21 ARG 55 29.005 18.281 50.437 399 HH12 ARG 55 HH22 ARG 55 30.420 18.087 51.417 400 HH21 ARG 55 HH11 ARG 55 28.865 16.014 53.721 401 HH22 ARG 55 HH12 ARG 55 30.340 16.805 53.276 402 H LYS 56 HN LYS 56 23.179 15.534 48.212 403 HA LYS 56 HA LYS 56 21.613 17.298 49.572 404 HB2 LYS 56 HB2 LYS 56 19.804 16.629 48.230 405 HB3 LYS 56 HB1 LYS 56 21.224 16.203 47.275 406 HG2 LYS 56 HG2 LYS 56 21.058 13.883 48.375 407 HG3 LYS 56 HG1 LYS 56 19.440 14.373 48.883 408 HD2 LYS 56 HD2 LYS 56 20.445 14.356 46.021 409 HD3 LYS 56 HD1 LYS 56 19.375 13.147 46.733 410 HE2 LYS 56 HE2 LYS 56 17.872 14.609 45.676 411 HE3 LYS 56 HE1 LYS 56 17.868 15.185 47.342 412 HZ1 LYS 56 HZ1 LYS 56 18.629 17.134 46.666 413 HZ2 LYS 56 HZ2 LYS 56 18.530 16.610 45.052 414 HZ3 LYS 56 HZ3 LYS 56 19.972 16.409 45.928 415 H LYS 57 HN LYS 57 21.700 13.780 50.064 416 HA LYS 57 HA LYS 57 19.764 14.002 52.238 417 HB2 LYS 57 HB2 LYS 57 20.044 11.524 52.387 418 HB3 LYS 57 HB1 LYS 57 19.504 12.082 50.804 419 HG2 LYS 57 HG2 LYS 57 22.319 12.145 50.702 420 HG3 LYS 57 HG1 LYS 57 21.907 10.625 51.495 421 HD2 LYS 57 HD2 LYS 57 20.742 11.604 48.873 422 HD3 LYS 57 HD1 LYS 57 21.981 10.357 49.037 423 HE2 LYS 57 HE2 LYS 57 19.948 9.551 50.780 424 HE3 LYS 57 HE1 LYS 57 19.096 10.136 49.352 425 HZ1 LYS 57 HZ1 LYS 57 21.423 8.341 49.095 426 HZ2 LYS 57 HZ2 LYS 57 20.166 8.622 47.988 427 HZ3 LYS 57 HZ3 LYS 57 19.876 7.714 49.394 428 H GLY 58 HN GLY 58 22.153 15.418 52.641 429 HA2 GLY 58 HA2 GLY 58 24.259 14.299 53.948 430 HA3 GLY 58 HA1 GLY 58 23.536 15.822 54.455 431 H HIS 59 HN HIS 59 21.974 15.822 56.130 432 HA HIS 59 HA HIS 59 22.157 13.462 57.888 433 HB2 HIS 59 HB2 HIS 59 22.065 16.369 58.328 434 HB3 HIS 59 HB1 HIS 59 21.023 15.439 59.406 435 HD2 HIS 59 HD2 HIS 59 24.819 14.966 58.235 436 HE1 HIS 59 HE1 HIS 59 24.484 14.049 62.342 437 HE2 HIS 59 HE2 HIS 59 26.094 14.212 60.385 438 H HIS 60 HN HIS 60 19.739 16.050 57.492 439 HA HIS 60 HA HIS 60 17.431 15.930 57.647 440 HB2 HIS 60 HB2 HIS 60 18.116 15.253 55.246 441 HB3 HIS 60 HB1 HIS 60 17.683 13.616 55.741 442 HD2 HIS 60 HD2 HIS 60 15.847 17.155 55.638 443 HE1 HIS 60 HE1 HIS 60 12.975 14.082 55.277 444 HE2 HIS 60 HE2 HIS 60 13.321 16.598 55.281 445 H HIS 61 HN HIS 61 17.064 15.227 59.751 446 HA HIS 61 HA HIS 61 17.281 12.548 60.626 447 HB2 HIS 61 HB2 HIS 61 15.538 14.784 61.688 448 HB3 HIS 61 HB1 HIS 61 15.907 13.283 62.537 449 HD2 HIS 61 HD2 HIS 61 19.118 14.210 60.861 450 HE1 HIS 61 HE1 HIS 61 19.252 16.242 64.559 451 HE2 HIS 61 HE2 HIS 61 20.625 15.508 62.553 452 H HIS 62 HN HIS 62 14.829 12.003 61.834 453 HA HIS 62 HA HIS 62 12.705 12.009 59.905 454 HB2 HIS 62 HB2 HIS 62 13.661 10.252 58.759 455 HB3 HIS 62 HB1 HIS 62 14.488 9.632 60.189 456 HD2 HIS 62 HD2 HIS 62 12.842 8.013 61.907 457 HE1 HIS 62 HE1 HIS 62 9.632 7.712 59.182 458 HE2 HIS 62 HE2 HIS 62 10.592 6.811 61.354 459 H HIS 63 HN HIS 63 10.749 11.430 60.811 460 HA HIS 63 HA HIS 63 10.563 10.028 63.306 461 HB2 HIS 63 HB2 HIS 63 10.788 12.931 63.314 462 HB3 HIS 63 HB1 HIS 63 9.287 12.378 64.058 463 HD2 HIS 63 HD2 HIS 63 12.915 12.817 65.067 464 HE1 HIS 63 HE1 HIS 63 11.362 9.924 67.721 465 HE2 HIS 63 HE2 HIS 63 13.319 11.479 67.273 466 H HIS 64 HN HIS 64 8.502 9.301 63.689 467 HA HIS 64 HA HIS 64 6.691 9.143 61.570 468 HB2 HIS 64 HB2 HIS 64 6.901 7.834 63.884 469 HB3 HIS 64 HB1 HIS 64 5.636 8.970 64.353 470 HD2 HIS 64 HD2 HIS 64 3.112 8.339 63.361 471 HE1 HIS 64 HE1 HIS 64 4.311 5.313 60.673 472 HE2 HIS 64 HE2 HIS 64 2.309 6.490 61.700 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -6.720 8.322 29.942 2 H2 MET 1 HT2 MET 1 -6.073 7.880 28.434 3 H3 MET 1 HT3 MET 1 -5.264 7.455 29.866 4 HA MET 1 HA MET 1 -7.066 5.994 30.502 5 HB2 MET 1 HB2 MET 1 -8.378 7.482 28.376 6 HB3 MET 1 HB1 MET 1 -8.526 5.743 28.122 7 HG2 MET 1 HG2 MET 1 -9.423 5.447 30.368 8 HG3 MET 1 HG1 MET 1 -9.173 7.156 30.726 9 HE1 MET 1 HE1 MET 1 -11.489 6.465 31.563 10 HE2 MET 1 HE2 MET 1 -12.218 5.219 30.554 11 HE3 MET 1 HE3 MET 1 -12.964 6.812 30.650 12 H GLU 2 HN GLU 2 -7.719 3.958 28.900 13 HA GLU 2 HA GLU 2 -5.956 3.308 26.806 14 HB2 GLU 2 HB2 GLU 2 -4.585 1.595 28.147 15 HB3 GLU 2 HB1 GLU 2 -4.124 3.292 28.295 16 HG2 GLU 2 HG2 GLU 2 -4.738 3.394 30.480 17 HG3 GLU 2 HG1 GLU 2 -6.188 2.427 30.213 18 H GLU 3 HN GLU 3 -7.992 2.525 26.079 19 HA GLU 3 HA GLU 3 -8.603 -0.170 27.098 20 HB2 GLU 3 HB2 GLU 3 -10.522 2.124 26.764 21 HB3 GLU 3 HB1 GLU 3 -11.075 0.454 26.631 22 HG2 GLU 3 HG2 GLU 3 -9.376 1.233 28.974 23 HG3 GLU 3 HG1 GLU 3 -11.083 1.674 28.975 24 H GLY 4 HN GLY 4 -7.085 -0.099 24.998 25 HA2 GLY 4 HA2 GLY 4 -8.330 -1.452 22.969 26 HA3 GLY 4 HA1 GLY 4 -8.463 0.239 22.495 27 H GLY 5 HN GLY 5 -6.280 1.473 22.808 28 HA2 GLY 5 HA2 GLY 5 -3.887 1.409 22.665 29 HA3 GLY 5 HA1 GLY 5 -4.003 -0.228 22.025 30 H ASP 6 HN ASP 6 -2.516 1.892 20.834 31 HA ASP 6 HA ASP 6 -3.675 1.817 18.172 32 HB2 ASP 6 HB2 ASP 6 -4.642 3.869 19.291 33 HB3 ASP 6 HB1 ASP 6 -2.998 4.498 19.389 34 H PHE 7 HN PHE 7 -1.657 0.430 18.283 35 HA PHE 7 HA PHE 7 0.914 1.546 18.563 36 HB2 PHE 7 HB2 PHE 7 1.428 -0.452 16.874 37 HB3 PHE 7 HB1 PHE 7 1.020 -0.749 18.564 38 HD1 PHE 7 HD2 PHE 7 -0.200 -0.856 15.092 39 HD2 PHE 7 HD1 PHE 7 -1.186 -1.583 19.210 40 HE1 PHE 7 HE2 PHE 7 -2.206 -2.134 14.386 41 HE2 PHE 7 HE1 PHE 7 -3.190 -2.860 18.504 42 HZ PHE 7 HZ PHE 7 -3.701 -3.137 16.093 43 H ASP 8 HN ASP 8 2.257 2.596 17.185 44 HA ASP 8 HA ASP 8 1.560 2.829 14.356 45 HB2 ASP 8 HB2 ASP 8 1.680 5.171 16.259 46 HB3 ASP 8 HB1 ASP 8 1.838 5.347 14.513 47 H ASN 9 HN ASN 9 3.680 1.453 15.486 48 HA ASN 9 HA ASN 9 5.947 3.038 14.487 49 HB2 ASN 9 HB2 ASN 9 5.643 2.877 17.135 50 HB3 ASN 9 HB1 ASN 9 6.440 1.327 16.874 51 HD21 ASN 9 HD21 ASN 9 6.872 4.606 15.409 52 HD22 ASN 9 HD22 ASN 9 8.548 4.657 15.680 53 H TYR 10 HN TYR 10 4.555 1.062 13.101 54 HA TYR 10 HA TYR 10 5.488 -1.556 13.333 55 HB2 TYR 10 HB2 TYR 10 4.162 0.058 11.301 56 HB3 TYR 10 HB1 TYR 10 5.253 -1.137 10.597 57 HD1 TYR 10 HD1 TYR 10 2.456 -0.723 13.031 58 HD2 TYR 10 HD2 TYR 10 4.689 -3.437 10.563 59 HE1 TYR 10 HE1 TYR 10 0.808 -2.514 13.509 60 HE2 TYR 10 HE2 TYR 10 3.042 -5.228 11.041 61 HH TYR 10 HH TYR 10 0.206 -4.608 13.116 62 H TYR 11 HN TYR 11 7.191 -2.691 12.371 63 HA TYR 11 HA TYR 11 9.711 -1.579 12.414 64 HB2 TYR 11 HB2 TYR 11 8.541 -4.012 11.148 65 HB3 TYR 11 HB1 TYR 11 10.171 -3.539 10.669 66 HD1 TYR 11 HD2 TYR 11 11.927 -3.178 12.471 67 HD2 TYR 11 HD1 TYR 11 8.126 -5.021 13.257 68 HE1 TYR 11 HE2 TYR 11 12.822 -4.126 14.581 69 HE2 TYR 11 HE1 TYR 11 9.023 -5.969 15.367 70 HH TYR 11 HH TYR 11 11.354 -6.587 16.258 71 H GLY 12 HN GLY 12 10.491 0.066 11.272 72 HA2 GLY 12 HA2 GLY 12 10.833 0.040 8.495 73 HA3 GLY 12 HA1 GLY 12 9.403 1.009 8.838 74 H ALA 13 HN ALA 13 12.773 0.622 9.946 75 HA ALA 13 HA ALA 13 13.310 3.425 9.585 76 HB1 ALA 13 HB1 ALA 13 13.102 2.303 12.388 77 HB2 ALA 13 HB2 ALA 13 12.148 3.616 11.697 78 HB3 ALA 13 HB3 ALA 13 13.874 3.838 11.988 79 H ASP 14 HN ASP 14 14.546 1.349 8.399 80 HA ASP 14 HA ASP 14 16.879 0.510 9.894 81 HB2 ASP 14 HB2 ASP 14 17.539 -0.569 7.767 82 HB3 ASP 14 HB1 ASP 14 15.900 -1.003 8.248 83 H ASN 15 HN ASN 15 16.692 3.300 9.814 84 HA ASN 15 HA ASN 15 18.639 4.172 7.797 85 HB2 ASN 15 HB2 ASN 15 18.095 6.437 8.544 86 HB3 ASN 15 HB1 ASN 15 16.622 5.551 8.153 87 HD21 ASN 15 HD21 ASN 15 15.021 5.748 9.717 88 HD22 ASN 15 HD22 ASN 15 15.300 6.044 11.365 89 H GLN 16 HN GLN 16 18.434 3.262 11.097 90 HA GLN 16 HA GLN 16 20.602 4.779 12.138 91 HB2 GLN 16 HB2 GLN 16 20.530 3.258 14.015 92 HB3 GLN 16 HB1 GLN 16 18.872 3.604 13.519 93 HG2 GLN 16 HG2 GLN 16 19.461 1.440 11.949 94 HG3 GLN 16 HG1 GLN 16 20.377 1.069 13.409 95 HE21 GLN 16 HE21 GLN 16 17.123 2.499 12.718 96 HE22 GLN 16 HE22 GLN 16 16.307 1.524 13.844 97 H SER 17 HN SER 17 20.715 2.764 9.638 98 HA SER 17 HA SER 17 22.726 0.890 10.144 99 HB2 SER 17 HB2 SER 17 21.342 1.089 8.043 100 HB3 SER 17 HB1 SER 17 22.378 2.431 7.566 101 HG SER 17 HG SER 17 22.868 -0.277 7.610 102 H GLU 18 HN GLU 18 24.574 1.396 11.162 103 HA GLU 18 HA GLU 18 26.440 3.186 9.861 104 HB2 GLU 18 HB2 GLU 18 24.856 4.102 12.095 105 HB3 GLU 18 HB1 GLU 18 26.565 4.061 12.530 106 HG2 GLU 18 HG2 GLU 18 27.149 5.416 10.611 107 HG3 GLU 18 HG1 GLU 18 25.498 5.334 9.996 108 H CYS 19 HN CYS 19 28.107 1.813 9.753 109 HA CYS 19 HA CYS 19 29.528 1.035 12.083 110 HB2 CYS 19 HB2 CYS 19 29.257 -1.423 11.863 111 HB3 CYS 19 HB1 CYS 19 27.756 -0.622 12.328 112 HG CYS 19 HG CYS 19 28.259 -1.334 9.328 113 H GLU 20 HN GLU 20 31.482 -0.170 11.571 114 HA GLU 20 HA GLU 20 33.275 -0.751 10.246 115 HB2 GLU 20 HB2 GLU 20 31.156 -1.603 8.768 116 HB3 GLU 20 HB1 GLU 20 31.868 -0.419 7.671 117 HG2 GLU 20 HG2 GLU 20 34.105 -1.534 8.079 118 HG3 GLU 20 HG1 GLU 20 33.235 -2.811 8.927 119 H TYR 21 HN TYR 21 31.795 2.116 10.402 120 HA TYR 21 HA TYR 21 33.409 3.475 8.365 121 HB2 TYR 21 HB2 TYR 21 31.269 4.391 8.354 122 HB3 TYR 21 HB1 TYR 21 31.099 4.270 10.106 123 HD1 TYR 21 HD1 TYR 21 33.104 6.002 7.461 124 HD2 TYR 21 HD2 TYR 21 31.555 6.128 11.465 125 HE1 TYR 21 HE1 TYR 21 33.920 8.332 7.703 126 HE2 TYR 21 HE2 TYR 21 32.371 8.457 11.708 127 HH TYR 21 HH TYR 21 33.209 10.234 10.612 128 H THR 22 HN THR 22 33.446 2.707 11.698 129 HA THR 22 HA THR 22 35.341 4.866 12.324 130 HB THR 22 HB THR 22 34.258 2.801 14.240 131 HG1 THR 22 HG1 THR 22 32.423 3.722 13.736 132 HG21 THR 22 HG21 THR 22 36.226 4.203 14.894 133 HG22 THR 22 HG22 THR 22 34.808 4.483 15.903 134 HG23 THR 22 HG23 THR 22 35.237 5.640 14.642 135 H ASP 23 HN ASP 23 35.167 1.475 11.674 136 HA ASP 23 HA ASP 23 37.781 0.902 12.817 137 HB2 ASP 23 HB2 ASP 23 37.014 -1.199 12.835 138 HB3 ASP 23 HB1 ASP 23 35.504 -0.622 12.132 139 H TRP 24 HN TRP 24 36.639 2.279 9.994 140 HA TRP 24 HA TRP 24 38.263 1.142 8.003 141 HB2 TRP 24 HB2 TRP 24 37.755 3.051 6.684 142 HB3 TRP 24 HB1 TRP 24 36.335 2.774 7.691 143 HD1 TRP 24 HD1 TRP 24 37.140 4.094 10.360 144 HE1 TRP 24 HE1 TRP 24 37.494 6.639 10.538 145 HE3 TRP 24 HE3 TRP 24 38.031 5.202 5.456 146 HZ2 TRP 24 HZ2 TRP 24 38.081 8.854 8.826 147 HZ3 TRP 24 HZ3 TRP 24 38.485 7.537 4.758 148 HH2 TRP 24 HH2 TRP 24 38.511 9.363 6.436 149 H LYS 25 HN LYS 25 40.363 0.968 8.000 150 HA LYS 25 HA LYS 25 42.532 1.287 8.889 151 HB2 LYS 25 HB2 LYS 25 43.653 2.811 7.398 152 HB3 LYS 25 HB1 LYS 25 42.398 1.957 6.506 153 HG2 LYS 25 HG2 LYS 25 41.138 4.250 7.553 154 HG3 LYS 25 HG1 LYS 25 42.698 4.802 6.949 155 HD2 LYS 25 HD2 LYS 25 42.222 3.562 4.808 156 HD3 LYS 25 HD1 LYS 25 40.594 3.258 5.417 157 HE2 LYS 25 HE2 LYS 25 40.624 5.885 5.819 158 HE3 LYS 25 HE1 LYS 25 41.841 5.834 4.544 159 HZ1 LYS 25 HZ1 LYS 25 39.232 4.467 4.275 160 HZ2 LYS 25 HZ2 LYS 25 40.340 4.873 3.053 161 HZ3 LYS 25 HZ3 LYS 25 39.442 6.089 3.829 162 H SER 26 HN SER 26 41.055 2.171 10.947 163 HA SER 26 HA SER 26 41.811 4.915 11.583 164 HB2 SER 26 HB2 SER 26 39.820 3.032 12.500 165 HB3 SER 26 HB1 SER 26 40.721 3.691 13.862 166 HG SER 26 HG SER 26 38.869 4.955 13.126 167 H SER 27 HN SER 27 43.002 1.736 12.030 168 HA SER 27 HA SER 27 45.474 2.351 12.994 169 HB2 SER 27 HB2 SER 27 43.427 2.483 15.140 170 HB3 SER 27 HB1 SER 27 44.923 1.639 15.528 171 HG SER 27 HG SER 27 46.054 3.499 14.848 172 H GLY 28 HN GLY 28 42.767 0.211 12.950 173 HA2 GLY 28 HA2 GLY 28 43.589 -2.042 12.003 174 HA3 GLY 28 HA1 GLY 28 44.487 -2.117 13.516 175 H ALA 29 HN ALA 29 41.774 -0.479 14.279 176 HA ALA 29 HA ALA 29 39.712 -1.016 15.175 177 HB1 ALA 29 HB1 ALA 29 38.552 -2.809 14.351 178 HB2 ALA 29 HB2 ALA 29 39.929 -3.903 14.495 179 HB3 ALA 29 HB3 ALA 29 39.841 -2.768 13.148 180 H LEU 30 HN LEU 30 42.224 -1.154 16.585 181 HA LEU 30 HA LEU 30 41.498 -3.109 18.685 182 HB2 LEU 30 HB2 LEU 30 44.211 -2.404 17.575 183 HB3 LEU 30 HB1 LEU 30 44.018 -3.116 19.178 184 HG LEU 30 HG LEU 30 42.569 -4.424 16.925 185 HD11 LEU 30 HD11 LEU 30 45.565 -4.597 17.359 186 HD12 LEU 30 HD12 LEU 30 44.739 -4.055 15.898 187 HD13 LEU 30 HD13 LEU 30 44.637 -5.744 16.393 188 HD21 LEU 30 HD21 LEU 30 42.431 -5.197 19.292 189 HD22 LEU 30 HD22 LEU 30 44.172 -5.478 19.277 190 HD23 LEU 30 HD23 LEU 30 43.116 -6.424 18.228 191 H ILE 31 HN ILE 31 42.606 0.081 17.825 192 HA ILE 31 HA ILE 31 43.056 0.887 20.566 193 HB ILE 31 HB ILE 31 43.266 2.215 17.896 194 HG12 ILE 31 HG12 ILE 31 45.074 0.931 19.348 195 HG13 ILE 31 HG11 ILE 31 45.507 2.390 18.458 196 HG21 ILE 31 HG21 ILE 31 43.802 4.347 19.254 197 HG22 ILE 31 HG22 ILE 31 42.875 3.597 20.552 198 HG23 ILE 31 HG23 ILE 31 42.104 3.949 19.006 199 HD11 ILE 31 HD11 ILE 31 44.524 2.545 21.307 200 HD12 ILE 31 HD12 ILE 31 45.460 3.733 20.400 201 HD13 ILE 31 HD13 ILE 31 46.221 2.238 20.943 202 HA PRO 32 HA PRO 32 38.862 3.204 19.452 203 HB2 PRO 32 HB2 PRO 32 37.477 0.885 18.220 204 HB3 PRO 32 HB1 PRO 32 37.428 2.599 17.768 205 HG2 PRO 32 HG2 PRO 32 38.741 0.797 16.305 206 HG3 PRO 32 HG1 PRO 32 39.330 2.457 16.498 207 HD2 PRO 32 HD2 PRO 32 40.317 -0.057 17.792 208 HD3 PRO 32 HD1 PRO 32 41.230 1.366 17.245 209 H ALA 33 HN ALA 33 39.407 -0.114 20.359 210 HA ALA 33 HA ALA 33 37.098 -0.567 21.924 211 HB1 ALA 33 HB1 ALA 33 38.260 -2.523 21.535 212 HB2 ALA 33 HB2 ALA 33 38.826 -2.149 23.163 213 HB3 ALA 33 HB3 ALA 33 39.834 -1.761 21.768 214 H ILE 34 HN ILE 34 40.217 0.919 22.647 215 HA ILE 34 HA ILE 34 39.517 1.289 25.453 216 HB ILE 34 HB ILE 34 41.945 1.956 23.794 217 HG12 ILE 34 HG12 ILE 34 43.017 0.406 25.396 218 HG13 ILE 34 HG11 ILE 34 41.472 0.198 26.225 219 HG21 ILE 34 HG21 ILE 34 41.169 2.866 26.561 220 HG22 ILE 34 HG22 ILE 34 41.875 3.807 25.247 221 HG23 ILE 34 HG23 ILE 34 42.864 2.643 26.130 222 HD11 ILE 34 HD11 ILE 34 42.201 -1.548 24.403 223 HD12 ILE 34 HD12 ILE 34 41.648 -0.315 23.270 224 HD13 ILE 34 HD13 ILE 34 40.529 -0.993 24.452 225 H TYR 35 HN TYR 35 39.536 3.075 22.462 226 HA TYR 35 HA TYR 35 39.463 5.701 23.508 227 HB2 TYR 35 HB2 TYR 35 39.737 4.822 21.045 228 HB3 TYR 35 HB1 TYR 35 37.980 4.968 21.012 229 HD1 TYR 35 HD2 TYR 35 36.884 7.152 21.298 230 HD2 TYR 35 HD1 TYR 35 41.164 6.782 21.237 231 HE1 TYR 35 HE2 TYR 35 37.093 9.602 20.972 232 HE2 TYR 35 HE1 TYR 35 41.371 9.231 20.911 233 HH TYR 35 HH TYR 35 40.114 11.242 21.250 234 H MET 36 HN MET 36 37.019 3.232 23.102 235 HA MET 36 HA MET 36 34.793 5.011 23.560 236 HB2 MET 36 HB2 MET 36 35.022 1.995 23.522 237 HB3 MET 36 HB1 MET 36 33.503 2.863 23.745 238 HG2 MET 36 HG2 MET 36 33.430 3.577 21.564 239 HG3 MET 36 HG1 MET 36 35.185 3.686 21.431 240 HE1 MET 36 HE1 MET 36 34.939 1.209 18.670 241 HE2 MET 36 HE2 MET 36 35.523 2.746 19.305 242 HE3 MET 36 HE3 MET 36 33.811 2.545 18.938 243 H LEU 37 HN LEU 37 36.744 2.779 25.472 244 HA LEU 37 HA LEU 37 35.241 2.610 27.795 245 HB2 LEU 37 HB2 LEU 37 37.982 2.146 27.024 246 HB3 LEU 37 HB1 LEU 37 37.919 2.885 28.625 247 HG LEU 37 HG LEU 37 36.253 0.491 27.800 248 HD11 LEU 37 HD11 LEU 37 38.453 -0.349 27.818 249 HD12 LEU 37 HD12 LEU 37 37.898 -0.648 29.465 250 HD13 LEU 37 HD13 LEU 37 38.950 0.726 29.125 251 HD21 LEU 37 HD21 LEU 37 35.214 0.784 29.779 252 HD22 LEU 37 HD22 LEU 37 36.081 2.309 29.967 253 HD23 LEU 37 HD23 LEU 37 36.762 0.820 30.623 254 H VAL 38 HN VAL 38 37.101 5.286 26.544 255 HA VAL 38 HA VAL 38 36.657 6.810 29.029 256 HB VAL 38 HB VAL 38 38.277 7.799 26.703 257 HG11 VAL 38 HG11 VAL 38 39.046 8.104 29.562 258 HG12 VAL 38 HG12 VAL 38 37.597 8.962 29.038 259 HG13 VAL 38 HG13 VAL 38 39.140 9.270 28.243 260 HG21 VAL 38 HG21 VAL 38 39.124 5.798 28.818 261 HG22 VAL 38 HG22 VAL 38 40.259 6.708 27.822 262 HG23 VAL 38 HG23 VAL 38 39.145 5.566 27.070 263 H PHE 39 HN PHE 39 35.040 6.197 26.284 264 HA PHE 39 HA PHE 39 34.135 8.973 25.865 265 HB2 PHE 39 HB2 PHE 39 34.889 7.322 23.958 266 HB3 PHE 39 HB1 PHE 39 33.255 6.685 24.147 267 HD1 PHE 39 HD1 PHE 39 35.125 9.898 23.695 268 HD2 PHE 39 HD2 PHE 39 31.441 7.765 23.119 269 HE1 PHE 39 HE1 PHE 39 34.229 11.802 22.383 270 HE2 PHE 39 HE2 PHE 39 30.545 9.668 21.806 271 HZ PHE 39 HZ PHE 39 31.938 11.687 21.438 272 H LEU 40 HN LEU 40 33.367 6.396 27.729 273 HA LEU 40 HA LEU 40 30.561 7.245 27.911 274 HB2 LEU 40 HB2 LEU 40 29.806 4.900 28.045 275 HB3 LEU 40 HB1 LEU 40 30.529 5.260 26.477 276 HG LEU 40 HG LEU 40 32.710 4.459 27.972 277 HD11 LEU 40 HD11 LEU 40 32.023 2.356 29.061 278 HD12 LEU 40 HD12 LEU 40 30.337 2.700 28.672 279 HD13 LEU 40 HD13 LEU 40 31.210 3.734 29.802 280 HD21 LEU 40 HD21 LEU 40 32.555 2.386 26.624 281 HD22 LEU 40 HD22 LEU 40 32.181 3.810 25.652 282 HD23 LEU 40 HD23 LEU 40 30.879 2.772 26.234 283 H LEU 41 HN LEU 41 33.458 6.034 29.322 284 HA LEU 41 HA LEU 41 32.790 4.963 31.729 285 HB2 LEU 41 HB2 LEU 41 35.036 6.437 30.685 286 HB3 LEU 41 HB1 LEU 41 34.750 6.886 32.366 287 HG LEU 41 HG LEU 41 34.914 4.024 31.384 288 HD11 LEU 41 HD11 LEU 41 37.127 4.602 31.173 289 HD12 LEU 41 HD12 LEU 41 37.106 4.328 32.916 290 HD13 LEU 41 HD13 LEU 41 36.984 5.968 32.279 291 HD21 LEU 41 HD21 LEU 41 35.493 4.485 34.175 292 HD22 LEU 41 HD22 LEU 41 34.230 3.482 33.463 293 HD23 LEU 41 HD23 LEU 41 33.929 5.192 33.769 294 H GLY 42 HN GLY 42 32.386 8.302 30.738 295 HA2 GLY 42 HA2 GLY 42 30.300 9.017 32.304 296 HA3 GLY 42 HA1 GLY 42 31.672 9.227 33.389 297 H THR 43 HN THR 43 31.307 9.838 29.897 298 HA THR 43 HA THR 43 32.414 12.529 30.319 299 HB THR 43 HB THR 43 33.507 11.101 28.631 300 HG1 THR 43 HG1 THR 43 32.325 12.856 26.934 301 HG21 THR 43 HG21 THR 43 32.371 10.247 26.747 302 HG22 THR 43 HG22 THR 43 30.978 11.298 27.002 303 HG23 THR 43 HG23 THR 43 31.265 9.935 28.084 304 H THR 44 HN THR 44 29.696 10.881 28.724 305 HA THR 44 HA THR 44 28.346 13.472 28.386 306 HB THR 44 HB THR 44 26.682 11.959 27.100 307 HG1 THR 44 HG1 THR 44 28.580 10.210 27.934 308 HG21 THR 44 HG21 THR 44 28.656 11.749 25.250 309 HG22 THR 44 HG22 THR 44 29.389 12.905 26.362 310 HG23 THR 44 HG23 THR 44 27.830 13.262 25.621 311 H GLY 45 HN GLY 45 26.525 10.539 28.616 312 HA2 GLY 45 HA2 GLY 45 25.242 11.560 31.070 313 HA3 GLY 45 HA1 GLY 45 24.491 10.480 29.899 314 H ASN 46 HN ASN 46 25.335 8.272 29.752 315 HA ASN 46 HA ASN 46 25.715 6.254 30.796 316 HB2 ASN 46 HB2 ASN 46 27.974 7.503 32.304 317 HB3 ASN 46 HB1 ASN 46 27.911 5.962 31.451 318 HD21 ASN 46 HD21 ASN 46 26.940 6.852 28.919 319 HD22 ASN 46 HD22 ASN 46 28.117 7.851 28.212 320 H GLY 47 HN GLY 47 24.027 5.882 32.162 321 HA2 GLY 47 HA2 GLY 47 23.305 5.286 34.324 322 HA3 GLY 47 HA1 GLY 47 24.518 6.366 35.005 323 H LEU 48 HN LEU 48 23.564 8.440 32.960 324 HA LEU 48 HA LEU 48 21.363 9.458 34.626 325 HB2 LEU 48 HB2 LEU 48 23.405 10.872 34.313 326 HB3 LEU 48 HB1 LEU 48 23.052 10.929 32.589 327 HG LEU 48 HG LEU 48 20.827 11.934 33.103 328 HD11 LEU 48 HD11 LEU 48 20.181 11.386 35.248 329 HD12 LEU 48 HD12 LEU 48 20.895 12.966 35.571 330 HD13 LEU 48 HD13 LEU 48 21.820 11.500 35.888 331 HD21 LEU 48 HD21 LEU 48 21.954 13.848 32.747 332 HD22 LEU 48 HD22 LEU 48 23.429 13.129 33.394 333 HD23 LEU 48 HD23 LEU 48 22.295 13.938 34.475 334 H VAL 49 HN VAL 49 22.286 8.910 31.245 335 HA VAL 49 HA VAL 49 20.026 9.898 29.967 336 HB VAL 49 HB VAL 49 21.746 7.511 29.264 337 HG11 VAL 49 HG11 VAL 49 19.758 7.202 28.017 338 HG12 VAL 49 HG12 VAL 49 20.822 8.078 26.918 339 HG13 VAL 49 HG13 VAL 49 19.541 8.935 27.774 340 HG21 VAL 49 HG21 VAL 49 22.234 10.297 29.275 341 HG22 VAL 49 HG22 VAL 49 21.981 9.854 27.587 342 HG23 VAL 49 HG23 VAL 49 23.230 9.045 28.533 343 H LEU 50 HN LEU 50 20.394 7.077 31.936 344 HA LEU 50 HA LEU 50 18.003 5.760 30.974 345 HB2 LEU 50 HB2 LEU 50 19.651 5.233 33.459 346 HB3 LEU 50 HB1 LEU 50 18.419 4.168 32.783 347 HG LEU 50 HG LEU 50 20.251 4.858 30.694 348 HD11 LEU 50 HD11 LEU 50 21.527 3.808 33.238 349 HD12 LEU 50 HD12 LEU 50 21.888 5.341 32.445 350 HD13 LEU 50 HD13 LEU 50 22.305 3.820 31.655 351 HD21 LEU 50 HD21 LEU 50 18.823 2.815 30.901 352 HD22 LEU 50 HD22 LEU 50 19.863 2.258 32.212 353 HD23 LEU 50 HD23 LEU 50 20.515 2.430 30.583 354 H TRP 51 HN TRP 51 18.913 7.888 33.620 355 HA TRP 51 HA TRP 51 16.707 7.606 35.296 356 HB2 TRP 51 HB2 TRP 51 17.833 9.192 36.405 357 HB3 TRP 51 HB1 TRP 51 18.881 9.423 35.005 358 HD1 TRP 51 HD1 TRP 51 17.905 11.152 33.080 359 HE1 TRP 51 HE1 TRP 51 16.560 13.328 33.398 360 HE3 TRP 51 HE3 TRP 51 16.182 10.436 37.833 361 HZ2 TRP 51 HZ2 TRP 51 14.964 14.598 35.405 362 HZ3 TRP 51 HZ3 TRP 51 14.753 12.143 38.923 363 HH2 TRP 51 HH2 TRP 51 14.143 14.220 37.717 364 H THR 52 HN THR 52 17.041 9.345 32.264 365 HA THR 52 HA THR 52 14.571 10.779 32.466 366 HB THR 52 HB THR 52 16.452 10.158 30.195 367 HG1 THR 52 HG1 THR 52 15.846 12.723 30.639 368 HG21 THR 52 HG21 THR 52 14.469 10.226 28.982 369 HG22 THR 52 HG22 THR 52 14.900 11.935 29.025 370 HG23 THR 52 HG23 THR 52 13.682 11.305 30.134 371 H VAL 53 HN VAL 53 15.564 7.703 31.037 372 HA VAL 53 HA VAL 53 13.194 7.120 29.638 373 HB VAL 53 HB VAL 53 15.166 5.232 30.947 374 HG11 VAL 53 HG11 VAL 53 12.911 4.834 28.975 375 HG12 VAL 53 HG12 VAL 53 13.211 3.964 30.479 376 HG13 VAL 53 HG13 VAL 53 14.259 3.701 29.085 377 HG21 VAL 53 HG21 VAL 53 15.802 7.007 29.069 378 HG22 VAL 53 HG22 VAL 53 15.034 5.823 28.013 379 HG23 VAL 53 HG23 VAL 53 16.421 5.357 28.999 380 H PHE 54 HN PHE 54 14.188 6.347 32.963 381 HA PHE 54 HA PHE 54 11.844 4.899 33.643 382 HB2 PHE 54 HB2 PHE 54 14.269 5.679 34.922 383 HB3 PHE 54 HB1 PHE 54 12.928 6.168 35.957 384 HD1 PHE 54 HD2 PHE 54 11.053 4.413 36.366 385 HD2 PHE 54 HD1 PHE 54 14.964 3.435 34.884 386 HE1 PHE 54 HE2 PHE 54 10.728 2.056 37.066 387 HE2 PHE 54 HE1 PHE 54 14.640 1.078 35.583 388 HZ PHE 54 HZ PHE 54 12.522 0.388 36.674 389 H ARG 55 HN ARG 55 12.643 8.300 33.595 390 HA ARG 55 HA ARG 55 10.492 9.198 35.239 391 HB2 ARG 55 HB2 ARG 55 12.199 10.579 33.163 392 HB3 ARG 55 HB1 ARG 55 10.961 11.415 34.103 393 HG2 ARG 55 HG2 ARG 55 12.742 9.764 35.751 394 HG3 ARG 55 HG1 ARG 55 13.586 11.054 34.894 395 HD2 ARG 55 HD2 ARG 55 12.657 11.687 37.177 396 HD3 ARG 55 HD1 ARG 55 12.180 12.736 35.846 397 HE ARG 55 HE ARG 55 10.157 10.933 35.928 398 HH11 ARG 55 HH21 ARG 55 11.760 12.856 38.316 399 HH12 ARG 55 HH22 ARG 55 10.363 13.012 39.328 400 HH21 ARG 55 HH11 ARG 55 8.321 11.132 37.249 401 HH22 ARG 55 HH12 ARG 55 8.416 12.036 38.724 402 H LYS 56 HN LYS 56 10.940 9.469 31.703 403 HA LYS 56 HA LYS 56 8.434 10.343 30.996 404 HB2 LYS 56 HB2 LYS 56 10.015 8.271 29.460 405 HB3 LYS 56 HB1 LYS 56 8.833 9.405 28.806 406 HG2 LYS 56 HG2 LYS 56 10.714 10.951 30.256 407 HG3 LYS 56 HG1 LYS 56 11.643 9.817 29.275 408 HD2 LYS 56 HD2 LYS 56 10.414 10.512 27.268 409 HD3 LYS 56 HD1 LYS 56 9.431 11.612 28.235 410 HE2 LYS 56 HE2 LYS 56 12.446 11.802 28.165 411 HE3 LYS 56 HE1 LYS 56 11.428 12.651 27.002 412 HZ1 LYS 56 HZ1 LYS 56 11.004 12.882 29.920 413 HZ2 LYS 56 HZ2 LYS 56 10.423 13.896 28.687 414 HZ3 LYS 56 HZ3 LYS 56 12.074 13.902 29.088 415 H LYS 57 HN LYS 57 9.460 6.935 31.258 416 HA LYS 57 HA LYS 57 6.795 5.936 30.865 417 HB2 LYS 57 HB2 LYS 57 9.418 4.694 31.667 418 HB3 LYS 57 HB1 LYS 57 7.917 3.767 31.706 419 HG2 LYS 57 HG2 LYS 57 7.734 3.712 29.428 420 HG3 LYS 57 HG1 LYS 57 8.402 5.333 29.233 421 HD2 LYS 57 HD2 LYS 57 10.660 4.486 29.661 422 HD3 LYS 57 HD1 LYS 57 10.019 2.867 29.945 423 HE2 LYS 57 HE2 LYS 57 9.563 4.345 27.347 424 HE3 LYS 57 HE1 LYS 57 10.969 3.311 27.607 425 HZ1 LYS 57 HZ1 LYS 57 8.586 2.455 26.707 426 HZ2 LYS 57 HZ2 LYS 57 8.452 2.123 28.368 427 HZ3 LYS 57 HZ3 LYS 57 9.736 1.468 27.469 428 H GLY 58 HN GLY 58 6.302 7.675 32.743 429 HA2 GLY 58 HA2 GLY 58 6.533 6.456 35.392 430 HA3 GLY 58 HA1 GLY 58 5.910 8.064 35.035 431 H HIS 59 HN HIS 59 3.917 8.030 35.933 432 HA HIS 59 HA HIS 59 1.997 6.078 34.843 433 HB2 HIS 59 HB2 HIS 59 2.787 6.431 37.653 434 HB3 HIS 59 HB1 HIS 59 1.045 6.476 37.380 435 HD2 HIS 59 HD2 HIS 59 3.923 4.029 36.058 436 HE1 HIS 59 HE1 HIS 59 0.493 1.774 37.047 437 HE2 HIS 59 HE2 HIS 59 2.875 1.640 36.177 438 H HIS 60 HN HIS 60 1.574 8.496 37.381 439 HA HIS 60 HA HIS 60 0.083 10.198 35.515 440 HB2 HIS 60 HB2 HIS 60 -0.958 8.806 37.929 441 HB3 HIS 60 HB1 HIS 60 -1.510 10.455 37.638 442 HD2 HIS 60 HD2 HIS 60 -1.917 6.889 36.080 443 HE1 HIS 60 HE1 HIS 60 -4.256 9.566 33.802 444 HE2 HIS 60 HE2 HIS 60 -3.703 7.118 34.189 445 H HIS 61 HN HIS 61 2.659 10.120 37.297 446 HA HIS 61 HA HIS 61 3.868 11.583 38.604 447 HB2 HIS 61 HB2 HIS 61 3.209 12.817 36.330 448 HB3 HIS 61 HB1 HIS 61 2.361 13.879 37.454 449 HD2 HIS 61 HD2 HIS 61 5.990 12.268 37.866 450 HE1 HIS 61 HE1 HIS 61 6.243 16.446 38.414 451 HE2 HIS 61 HE2 HIS 61 7.558 14.274 38.446 452 H HIS 62 HN HIS 62 3.259 11.295 40.702 453 HA HIS 62 HA HIS 62 1.595 13.340 41.878 454 HB2 HIS 62 HB2 HIS 62 -0.019 11.543 41.160 455 HB3 HIS 62 HB1 HIS 62 0.808 10.449 42.269 456 HD2 HIS 62 HD2 HIS 62 0.930 13.592 44.183 457 HE1 HIS 62 HE1 HIS 62 -2.921 12.096 45.049 458 HE2 HIS 62 HE2 HIS 62 -1.149 13.772 45.753 459 H HIS 63 HN HIS 63 3.619 13.834 42.871 460 HA HIS 63 HA HIS 63 5.276 12.147 44.297 461 HB2 HIS 63 HB2 HIS 63 4.933 14.940 44.033 462 HB3 HIS 63 HB1 HIS 63 4.955 14.601 45.765 463 HD2 HIS 63 HD2 HIS 63 7.263 13.545 42.676 464 HE1 HIS 63 HE1 HIS 63 9.644 13.956 46.138 465 HE2 HIS 63 HE2 HIS 63 9.683 13.444 43.650 466 H HIS 64 HN HIS 64 5.504 12.347 46.815 467 HA HIS 64 HA HIS 64 3.436 10.866 47.987 468 HB2 HIS 64 HB2 HIS 64 5.834 12.321 48.988 469 HB3 HIS 64 HB1 HIS 64 4.605 11.871 50.169 470 HD2 HIS 64 HD2 HIS 64 5.788 9.585 51.249 471 HE1 HIS 64 HE1 HIS 64 6.443 7.545 47.611 472 HE2 HIS 64 HE2 HIS 64 6.560 7.350 50.140 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 15.732 23.572 -24.251 2 H2 MET 1 HT2 MET 1 17.043 24.410 -24.936 3 H3 MET 1 HT3 MET 1 15.450 24.895 -25.274 4 HA MET 1 HA MET 1 16.450 26.396 -23.685 5 HB2 MET 1 HB2 MET 1 14.772 25.597 -21.702 6 HB3 MET 1 HB1 MET 1 14.224 26.420 -23.163 7 HG2 MET 1 HG2 MET 1 13.656 24.342 -24.223 8 HG3 MET 1 HG1 MET 1 14.458 23.409 -22.960 9 HE1 MET 1 HE1 MET 1 10.484 22.904 -22.838 10 HE2 MET 1 HE2 MET 1 12.001 22.249 -23.450 11 HE3 MET 1 HE3 MET 1 11.261 23.633 -24.251 12 H GLU 2 HN GLU 2 16.370 23.014 -22.608 13 HA GLU 2 HA GLU 2 18.718 23.567 -20.919 14 HB2 GLU 2 HB2 GLU 2 16.589 21.728 -19.891 15 HB3 GLU 2 HB1 GLU 2 17.808 22.638 -18.999 16 HG2 GLU 2 HG2 GLU 2 16.618 24.752 -19.692 17 HG3 GLU 2 HG1 GLU 2 15.331 23.741 -20.347 18 H GLU 3 HN GLU 3 20.181 22.425 -22.079 19 HA GLU 3 HA GLU 3 19.688 19.531 -22.356 20 HB2 GLU 3 HB2 GLU 3 20.624 21.443 -24.491 21 HB3 GLU 3 HB1 GLU 3 20.999 19.721 -24.562 22 HG2 GLU 3 HG2 GLU 3 18.838 19.129 -25.007 23 HG3 GLU 3 HG1 GLU 3 18.173 20.398 -23.981 24 H GLY 4 HN GLY 4 21.058 20.504 -20.244 25 HA2 GLY 4 HA2 GLY 4 23.235 19.208 -19.741 26 HA3 GLY 4 HA1 GLY 4 23.920 20.312 -20.930 27 H GLY 5 HN GLY 5 21.438 21.075 -18.531 28 HA2 GLY 5 HA2 GLY 5 23.048 23.303 -17.569 29 HA3 GLY 5 HA1 GLY 5 21.377 22.955 -17.138 30 H ASP 6 HN ASP 6 24.591 21.431 -16.796 31 HA ASP 6 HA ASP 6 25.472 20.169 -15.073 32 HB2 ASP 6 HB2 ASP 6 25.407 22.670 -14.302 33 HB3 ASP 6 HB1 ASP 6 24.163 22.102 -13.191 34 H PHE 7 HN PHE 7 24.368 18.237 -15.112 35 HA PHE 7 HA PHE 7 21.738 17.927 -14.007 36 HB2 PHE 7 HB2 PHE 7 22.701 16.473 -15.810 37 HB3 PHE 7 HB1 PHE 7 23.780 15.776 -14.603 38 HD1 PHE 7 HD1 PHE 7 20.158 16.422 -15.294 39 HD2 PHE 7 HD2 PHE 7 23.056 13.990 -13.259 40 HE1 PHE 7 HE1 PHE 7 18.357 14.877 -14.572 41 HE2 PHE 7 HE2 PHE 7 21.254 12.445 -12.537 42 HZ PHE 7 HZ PHE 7 18.905 12.890 -13.194 43 H ASP 8 HN ASP 8 23.101 19.196 -12.061 44 HA ASP 8 HA ASP 8 23.783 19.101 -9.865 45 HB2 ASP 8 HB2 ASP 8 21.408 17.971 -9.990 46 HB3 ASP 8 HB1 ASP 8 22.310 16.511 -9.587 47 H ASN 9 HN ASN 9 25.641 18.016 -11.662 48 HA ASN 9 HA ASN 9 26.908 15.976 -9.946 49 HB2 ASN 9 HB2 ASN 9 25.881 14.968 -12.028 50 HB3 ASN 9 HB1 ASN 9 27.026 15.927 -12.964 51 HD21 ASN 9 HD21 ASN 9 28.378 14.210 -13.709 52 HD22 ASN 9 HD22 ASN 9 29.274 13.221 -12.661 53 H TYR 10 HN TYR 10 27.490 18.607 -9.643 54 HA TYR 10 HA TYR 10 29.411 19.796 -11.240 55 HB2 TYR 10 HB2 TYR 10 28.765 19.897 -8.331 56 HB3 TYR 10 HB1 TYR 10 30.292 20.605 -8.858 57 HD1 TYR 10 HD1 TYR 10 30.204 22.238 -10.873 58 HD2 TYR 10 HD2 TYR 10 26.759 21.097 -8.575 59 HE1 TYR 10 HE1 TYR 10 28.993 24.239 -11.697 60 HE2 TYR 10 HE2 TYR 10 25.547 23.099 -9.399 61 HH TYR 10 HH TYR 10 25.578 24.764 -10.928 62 H TYR 11 HN TYR 11 31.490 19.410 -11.710 63 HA TYR 11 HA TYR 11 32.737 16.974 -11.113 64 HB2 TYR 11 HB2 TYR 11 33.729 19.604 -12.178 65 HB3 TYR 11 HB1 TYR 11 34.859 18.294 -11.838 66 HD1 TYR 11 HD2 TYR 11 34.452 16.018 -12.911 67 HD2 TYR 11 HD1 TYR 11 32.387 19.580 -14.133 68 HE1 TYR 11 HE2 TYR 11 33.836 14.927 -15.052 69 HE2 TYR 11 HE1 TYR 11 31.771 18.490 -16.272 70 HH TYR 11 HH TYR 11 33.035 16.332 -17.665 71 H GLY 12 HN GLY 12 35.079 17.002 -10.132 72 HA2 GLY 12 HA2 GLY 12 36.489 17.390 -8.327 73 HA3 GLY 12 HA1 GLY 12 35.445 18.724 -7.841 74 H ALA 13 HN ALA 13 35.958 15.260 -7.658 75 HA ALA 13 HA ALA 13 33.675 14.693 -6.028 76 HB1 ALA 13 HB1 ALA 13 34.774 12.947 -7.359 77 HB2 ALA 13 HB2 ALA 13 34.775 12.522 -5.648 78 HB3 ALA 13 HB3 ALA 13 36.246 13.136 -6.405 79 H ASP 14 HN ASP 14 34.070 16.582 -4.559 80 HA ASP 14 HA ASP 14 36.126 16.060 -2.520 81 HB2 ASP 14 HB2 ASP 14 35.856 18.317 -1.834 82 HB3 ASP 14 HB1 ASP 14 35.844 18.354 -3.596 83 H ASN 15 HN ASN 15 34.062 14.233 -2.503 84 HA ASN 15 HA ASN 15 32.751 14.897 0.047 85 HB2 ASN 15 HB2 ASN 15 30.630 14.527 -0.692 86 HB3 ASN 15 HB1 ASN 15 31.317 15.026 -2.237 87 HD21 ASN 15 HD21 ASN 15 29.178 12.887 -1.341 88 HD22 ASN 15 HD22 ASN 15 29.640 11.514 -2.227 89 H GLN 16 HN GLN 16 34.854 12.982 -1.436 90 HA GLN 16 HA GLN 16 34.154 10.339 -1.106 91 HB2 GLN 16 HB2 GLN 16 36.694 10.157 -0.347 92 HB3 GLN 16 HB1 GLN 16 36.261 10.556 -2.011 93 HG2 GLN 16 HG2 GLN 16 38.010 12.064 -0.892 94 HG3 GLN 16 HG1 GLN 16 36.650 12.876 -1.666 95 HE21 GLN 16 HE21 GLN 16 35.350 14.211 -0.352 96 HE22 GLN 16 HE22 GLN 16 35.506 14.319 1.334 97 H SER 17 HN SER 17 34.411 12.735 1.304 98 HA SER 17 HA SER 17 35.162 11.181 3.542 99 HB2 SER 17 HB2 SER 17 34.536 13.838 3.096 100 HB3 SER 17 HB1 SER 17 33.215 13.284 4.119 101 HG SER 17 HG SER 17 35.992 13.292 4.608 102 H GLU 18 HN GLU 18 33.700 10.607 5.360 103 HA GLU 18 HA GLU 18 32.076 9.112 6.060 104 HB2 GLU 18 HB2 GLU 18 31.034 11.483 6.012 105 HB3 GLU 18 HB1 GLU 18 30.155 10.905 4.595 106 HG2 GLU 18 HG2 GLU 18 29.528 8.871 6.075 107 HG3 GLU 18 HG1 GLU 18 30.031 9.882 7.429 108 H CYS 19 HN CYS 19 33.103 7.693 4.247 109 HA CYS 19 HA CYS 19 31.970 7.211 1.786 110 HB2 CYS 19 HB2 CYS 19 33.255 5.411 3.813 111 HB3 CYS 19 HB1 CYS 19 32.565 4.726 2.341 112 HG CYS 19 HG CYS 19 35.201 5.637 2.202 113 H GLU 20 HN GLU 20 31.345 4.530 3.852 114 HA GLU 20 HA GLU 20 28.441 5.015 3.755 115 HB2 GLU 20 HB2 GLU 20 29.933 2.624 2.690 116 HB3 GLU 20 HB1 GLU 20 28.244 2.511 3.188 117 HG2 GLU 20 HG2 GLU 20 28.986 4.776 1.397 118 HG3 GLU 20 HG1 GLU 20 28.944 3.165 0.683 119 H TYR 21 HN TYR 21 30.636 5.003 5.841 120 HA TYR 21 HA TYR 21 31.091 4.097 7.921 121 HB2 TYR 21 HB2 TYR 21 29.028 4.042 9.324 122 HB3 TYR 21 HB1 TYR 21 29.197 5.515 8.368 123 HD1 TYR 21 HD2 TYR 21 27.365 2.329 8.714 124 HD2 TYR 21 HD1 TYR 21 27.736 5.983 6.487 125 HE1 TYR 21 HE2 TYR 21 25.176 1.894 7.636 126 HE2 TYR 21 HE1 TYR 21 25.546 5.548 5.409 127 HH TYR 21 HH TYR 21 23.466 2.936 6.463 128 H THR 22 HN THR 22 30.659 2.106 5.692 129 HA THR 22 HA THR 22 29.618 -0.187 7.210 130 HB THR 22 HB THR 22 30.560 -0.358 4.370 131 HG1 THR 22 HG1 THR 22 29.214 1.488 4.526 132 HG21 THR 22 HG21 THR 22 29.813 -2.367 5.652 133 HG22 THR 22 HG22 THR 22 28.800 -2.036 4.246 134 HG23 THR 22 HG23 THR 22 28.236 -1.605 5.862 135 H ASP 23 HN ASP 23 32.477 1.368 6.857 136 HA ASP 23 HA ASP 23 33.996 -1.098 7.393 137 HB2 ASP 23 HB2 ASP 23 34.178 0.081 4.963 138 HB3 ASP 23 HB1 ASP 23 35.414 0.982 5.839 139 H TRP 24 HN TRP 24 32.912 1.086 9.070 140 HA TRP 24 HA TRP 24 34.868 2.929 9.843 141 HB2 TRP 24 HB2 TRP 24 33.624 2.639 12.160 142 HB3 TRP 24 HB1 TRP 24 32.819 3.396 10.790 143 HD1 TRP 24 HD1 TRP 24 33.358 -0.373 10.838 144 HE1 TRP 24 HE1 TRP 24 31.069 -1.540 11.032 145 HE3 TRP 24 HE3 TRP 24 30.371 3.681 11.691 146 HZ2 TRP 24 HZ2 TRP 24 28.331 -0.846 11.487 147 HZ3 TRP 24 HZ3 TRP 24 27.929 3.399 12.001 148 HH2 TRP 24 HH2 TRP 24 26.905 1.143 11.900 149 H LYS 25 HN LYS 25 34.094 0.839 12.465 150 HA LYS 25 HA LYS 25 36.934 0.298 12.874 151 HB2 LYS 25 HB2 LYS 25 36.168 -0.565 15.085 152 HB3 LYS 25 HB1 LYS 25 35.701 1.110 14.789 153 HG2 LYS 25 HG2 LYS 25 33.513 0.596 14.938 154 HG3 LYS 25 HG1 LYS 25 33.689 -0.708 13.762 155 HD2 LYS 25 HD2 LYS 25 34.541 -2.194 15.547 156 HD3 LYS 25 HD1 LYS 25 34.330 -0.895 16.719 157 HE2 LYS 25 HE2 LYS 25 31.937 -0.874 16.363 158 HE3 LYS 25 HE1 LYS 25 32.081 -2.011 15.023 159 HZ1 LYS 25 HZ1 LYS 25 31.464 -2.846 17.391 160 HZ2 LYS 25 HZ2 LYS 25 33.139 -2.761 17.657 161 HZ3 LYS 25 HZ3 LYS 25 32.522 -3.750 16.420 162 H SER 26 HN SER 26 36.416 -1.095 10.747 163 HA SER 26 HA SER 26 35.603 -3.809 11.549 164 HB2 SER 26 HB2 SER 26 35.029 -4.200 9.360 165 HB3 SER 26 HB1 SER 26 34.806 -2.453 9.396 166 HG SER 26 HG SER 26 36.928 -3.983 8.348 167 H SER 27 HN SER 27 38.356 -1.922 11.118 168 HA SER 27 HA SER 27 40.218 -3.559 9.891 169 HB2 SER 27 HB2 SER 27 40.334 -1.437 11.961 170 HB3 SER 27 HB1 SER 27 41.745 -2.483 11.830 171 HG SER 27 HG SER 27 40.536 -1.373 9.537 172 H GLY 28 HN GLY 28 38.521 -4.086 12.811 173 HA2 GLY 28 HA2 GLY 28 38.819 -6.604 13.371 174 HA3 GLY 28 HA1 GLY 28 40.464 -6.095 13.740 175 H ALA 29 HN ALA 29 38.738 -3.468 14.487 176 HA ALA 29 HA ALA 29 38.147 -2.481 16.478 177 HB1 ALA 29 HB1 ALA 29 36.421 -3.543 17.684 178 HB2 ALA 29 HB2 ALA 29 37.014 -5.155 17.281 179 HB3 ALA 29 HB3 ALA 29 36.245 -4.163 16.042 180 H LEU 30 HN LEU 30 40.650 -2.783 16.718 181 HA LEU 30 HA LEU 30 41.089 -4.028 19.357 182 HB2 LEU 30 HB2 LEU 30 42.767 -4.339 16.872 183 HB3 LEU 30 HB1 LEU 30 43.434 -4.589 18.486 184 HG LEU 30 HG LEU 30 40.856 -5.947 17.883 185 HD11 LEU 30 HD11 LEU 30 43.474 -6.566 16.534 186 HD12 LEU 30 HD12 LEU 30 41.848 -6.569 15.851 187 HD13 LEU 30 HD13 LEU 30 42.355 -7.870 16.929 188 HD21 LEU 30 HD21 LEU 30 42.031 -6.136 20.065 189 HD22 LEU 30 HD22 LEU 30 43.430 -6.819 19.236 190 HD23 LEU 30 HD23 LEU 30 41.901 -7.698 19.257 191 H ILE 31 HN ILE 31 40.515 -1.509 19.429 192 HA ILE 31 HA ILE 31 42.571 -0.168 20.629 193 HB ILE 31 HB ILE 31 42.912 -0.085 17.749 194 HG12 ILE 31 HG12 ILE 31 44.641 -0.453 19.565 195 HG13 ILE 31 HG11 ILE 31 45.091 0.741 18.354 196 HG21 ILE 31 HG21 ILE 31 42.558 2.611 19.113 197 HG22 ILE 31 HG22 ILE 31 41.618 1.985 17.759 198 HG23 ILE 31 HG23 ILE 31 43.323 2.360 17.549 199 HD11 ILE 31 HD11 ILE 31 43.625 1.904 20.615 200 HD12 ILE 31 HD12 ILE 31 45.144 2.412 19.877 201 HD13 ILE 31 HD13 ILE 31 45.137 1.134 21.091 202 HA PRO 32 HA PRO 32 39.006 2.879 19.351 203 HB2 PRO 32 HB2 PRO 32 36.927 1.023 18.383 204 HB3 PRO 32 HB1 PRO 32 37.502 2.541 17.668 205 HG2 PRO 32 HG2 PRO 32 38.044 0.153 16.580 206 HG3 PRO 32 HG1 PRO 32 39.178 1.513 16.500 207 HD2 PRO 32 HD2 PRO 32 39.242 -0.891 18.295 208 HD3 PRO 32 HD1 PRO 32 40.587 -0.063 17.480 209 H ALA 33 HN ALA 33 38.269 -0.401 20.446 210 HA ALA 33 HA ALA 33 36.118 0.288 22.172 211 HB1 ALA 33 HB1 ALA 33 37.938 -2.080 21.897 212 HB2 ALA 33 HB2 ALA 33 36.191 -1.984 21.678 213 HB3 ALA 33 HB3 ALA 33 36.879 -1.949 23.302 214 H ILE 34 HN ILE 34 39.360 1.049 22.329 215 HA ILE 34 HA ILE 34 39.357 1.196 25.280 216 HB ILE 34 HB ILE 34 41.603 1.185 23.261 217 HG12 ILE 34 HG12 ILE 34 41.685 -0.580 25.605 218 HG13 ILE 34 HG11 ILE 34 40.280 -0.866 24.577 219 HG21 ILE 34 HG21 ILE 34 42.321 2.790 24.842 220 HG22 ILE 34 HG22 ILE 34 43.019 1.279 25.426 221 HG23 ILE 34 HG23 ILE 34 41.566 1.931 26.185 222 HD11 ILE 34 HD11 ILE 34 42.348 -2.194 23.948 223 HD12 ILE 34 HD12 ILE 34 43.100 -0.664 23.497 224 HD13 ILE 34 HD13 ILE 34 41.662 -1.224 22.645 225 H TYR 35 HN TYR 35 39.173 3.032 22.401 226 HA TYR 35 HA TYR 35 40.172 5.499 23.544 227 HB2 TYR 35 HB2 TYR 35 39.781 4.553 20.960 228 HB3 TYR 35 HB1 TYR 35 38.530 5.781 21.154 229 HD1 TYR 35 HD2 TYR 35 39.618 7.805 22.829 230 HD2 TYR 35 HD1 TYR 35 41.642 5.447 19.862 231 HE1 TYR 35 HE2 TYR 35 41.320 9.590 22.571 232 HE2 TYR 35 HE1 TYR 35 43.342 7.232 19.605 233 HH TYR 35 HH TYR 35 44.233 9.100 20.754 234 H MET 36 HN MET 36 37.003 4.175 22.609 235 HA MET 36 HA MET 36 35.566 6.469 23.594 236 HB2 MET 36 HB2 MET 36 34.319 3.778 23.114 237 HB3 MET 36 HB1 MET 36 33.632 5.382 22.858 238 HG2 MET 36 HG2 MET 36 35.742 5.524 21.174 239 HG3 MET 36 HG1 MET 36 35.425 3.790 21.105 240 HE1 MET 36 HE1 MET 36 35.353 5.982 18.901 241 HE2 MET 36 HE2 MET 36 34.459 7.239 19.754 242 HE3 MET 36 HE3 MET 36 33.761 6.491 18.320 243 H LEU 37 HN LEU 37 36.398 3.264 24.799 244 HA LEU 37 HA LEU 37 34.742 3.030 26.995 245 HB2 LEU 37 HB2 LEU 37 37.350 1.978 26.197 246 HB3 LEU 37 HB1 LEU 37 37.171 2.111 27.947 247 HG LEU 37 HG LEU 37 35.084 0.841 27.865 248 HD11 LEU 37 HD11 LEU 37 35.327 1.464 25.017 249 HD12 LEU 37 HD12 LEU 37 33.900 1.001 25.944 250 HD13 LEU 37 HD13 LEU 37 34.977 -0.240 25.305 251 HD21 LEU 37 HD21 LEU 37 36.396 -0.984 28.018 252 HD22 LEU 37 HD22 LEU 37 37.667 -0.161 27.112 253 HD23 LEU 37 HD23 LEU 37 36.433 -1.088 26.258 254 H VAL 38 HN VAL 38 37.168 5.374 26.418 255 HA VAL 38 HA VAL 38 37.319 6.103 29.266 256 HB VAL 38 HB VAL 38 38.905 7.108 26.890 257 HG11 VAL 38 HG11 VAL 38 40.372 7.948 28.866 258 HG12 VAL 38 HG12 VAL 38 38.910 7.762 29.833 259 HG13 VAL 38 HG13 VAL 38 38.923 8.866 28.459 260 HG21 VAL 38 HG21 VAL 38 39.593 4.876 27.320 261 HG22 VAL 38 HG22 VAL 38 39.433 5.077 29.065 262 HG23 VAL 38 HG23 VAL 38 40.751 5.871 28.203 263 H PHE 39 HN PHE 39 35.906 7.033 26.264 264 HA PHE 39 HA PHE 39 35.384 9.775 27.071 265 HB2 PHE 39 HB2 PHE 39 35.642 8.616 24.636 266 HB3 PHE 39 HB1 PHE 39 33.886 8.609 24.803 267 HD1 PHE 39 HD2 PHE 39 32.766 10.826 25.568 268 HD2 PHE 39 HD1 PHE 39 36.755 10.583 23.995 269 HE1 PHE 39 HE2 PHE 39 32.705 13.247 25.039 270 HE2 PHE 39 HE1 PHE 39 36.694 13.005 23.465 271 HZ PHE 39 HZ PHE 39 34.669 14.337 23.987 272 H LEU 40 HN LEU 40 33.400 6.894 26.354 273 HA LEU 40 HA LEU 40 30.987 8.057 27.341 274 HB2 LEU 40 HB2 LEU 40 30.082 5.768 27.162 275 HB3 LEU 40 HB1 LEU 40 30.957 6.235 25.702 276 HG LEU 40 HG LEU 40 32.951 5.137 27.262 277 HD11 LEU 40 HD11 LEU 40 32.146 3.131 28.262 278 HD12 LEU 40 HD12 LEU 40 30.562 3.299 27.504 279 HD13 LEU 40 HD13 LEU 40 31.038 4.391 28.804 280 HD21 LEU 40 HD21 LEU 40 31.164 3.763 25.229 281 HD22 LEU 40 HD22 LEU 40 32.774 3.220 25.700 282 HD23 LEU 40 HD23 LEU 40 32.573 4.756 24.858 283 H LEU 41 HN LEU 41 33.724 6.922 28.904 284 HA LEU 41 HA LEU 41 32.609 5.620 31.163 285 HB2 LEU 41 HB2 LEU 41 35.185 6.283 30.244 286 HB3 LEU 41 HB1 LEU 41 35.019 7.069 31.814 287 HG LEU 41 HG LEU 41 34.435 4.147 31.249 288 HD11 LEU 41 HD11 LEU 41 36.440 3.817 32.750 289 HD12 LEU 41 HD12 LEU 41 36.746 5.549 32.622 290 HD13 LEU 41 HD13 LEU 41 36.820 4.532 31.183 291 HD21 LEU 41 HD21 LEU 41 34.755 4.639 34.002 292 HD22 LEU 41 HD22 LEU 41 33.249 4.262 33.166 293 HD23 LEU 41 HD23 LEU 41 33.723 5.943 33.416 294 H GLY 42 HN GLY 42 33.444 9.002 30.499 295 HA2 GLY 42 HA2 GLY 42 32.691 9.918 33.124 296 HA3 GLY 42 HA1 GLY 42 33.074 10.929 31.733 297 H THR 43 HN THR 43 31.275 10.315 29.867 298 HA THR 43 HA THR 43 28.599 10.285 31.042 299 HB THR 43 HB THR 43 29.242 12.666 31.073 300 HG1 THR 43 HG1 THR 43 27.300 13.120 30.440 301 HG21 THR 43 HG21 THR 43 30.367 13.636 29.379 302 HG22 THR 43 HG22 THR 43 29.213 13.039 28.186 303 HG23 THR 43 HG23 THR 43 30.560 12.021 28.699 304 H THR 44 HN THR 44 27.851 11.630 28.345 305 HA THR 44 HA THR 44 27.294 10.977 26.208 306 HB THR 44 HB THR 44 28.949 8.517 26.262 307 HG1 THR 44 HG1 THR 44 30.322 9.781 27.403 308 HG21 THR 44 HG21 THR 44 27.748 9.697 24.279 309 HG22 THR 44 HG22 THR 44 29.402 9.134 24.040 310 HG23 THR 44 HG23 THR 44 29.087 10.841 24.353 311 H GLY 45 HN GLY 45 27.609 8.373 28.588 312 HA2 GLY 45 HA2 GLY 45 24.865 7.565 28.113 313 HA3 GLY 45 HA1 GLY 45 26.068 6.366 27.643 314 H ASN 46 HN ASN 46 25.777 8.622 30.396 315 HA ASN 46 HA ASN 46 25.525 6.410 32.264 316 HB2 ASN 46 HB2 ASN 46 27.966 8.196 32.224 317 HB3 ASN 46 HB1 ASN 46 27.517 7.169 33.585 318 HD21 ASN 46 HD21 ASN 46 28.326 7.011 30.088 319 HD22 ASN 46 HD22 ASN 46 28.920 5.422 30.145 320 H GLY 47 HN GLY 47 23.982 7.060 33.610 321 HA2 GLY 47 HA2 GLY 47 23.117 8.394 35.351 322 HA3 GLY 47 HA1 GLY 47 24.125 9.730 34.801 323 H LEU 48 HN LEU 48 23.246 9.237 31.976 324 HA LEU 48 HA LEU 48 20.703 10.704 32.170 325 HB2 LEU 48 HB2 LEU 48 23.000 10.738 30.336 326 HB3 LEU 48 HB1 LEU 48 21.439 10.771 29.519 327 HG LEU 48 HG LEU 48 22.347 13.052 30.086 328 HD11 LEU 48 HD11 LEU 48 20.019 13.207 31.743 329 HD12 LEU 48 HD12 LEU 48 19.719 12.003 30.491 330 HD13 LEU 48 HD13 LEU 48 20.179 13.645 30.043 331 HD21 LEU 48 HD21 LEU 48 23.022 11.898 32.479 332 HD22 LEU 48 HD22 LEU 48 21.548 12.763 32.914 333 HD23 LEU 48 HD23 LEU 48 22.909 13.638 32.212 334 H VAL 49 HN VAL 49 22.093 7.714 31.114 335 HA VAL 49 HA VAL 49 19.854 6.979 29.427 336 HB VAL 49 HB VAL 49 22.171 5.333 30.472 337 HG11 VAL 49 HG11 VAL 49 21.509 3.851 28.523 338 HG12 VAL 49 HG12 VAL 49 20.024 4.796 28.403 339 HG13 VAL 49 HG13 VAL 49 20.362 3.866 29.862 340 HG21 VAL 49 HG21 VAL 49 21.740 6.496 27.708 341 HG22 VAL 49 HG22 VAL 49 23.204 5.745 28.344 342 HG23 VAL 49 HG23 VAL 49 22.683 7.316 28.952 343 H LEU 50 HN LEU 50 21.227 5.688 32.463 344 HA LEU 50 HA LEU 50 18.973 4.039 33.024 345 HB2 LEU 50 HB2 LEU 50 20.005 3.847 35.290 346 HB3 LEU 50 HB1 LEU 50 21.135 3.504 33.979 347 HG LEU 50 HG LEU 50 21.205 6.314 34.471 348 HD11 LEU 50 HD11 LEU 50 20.269 5.710 36.706 349 HD12 LEU 50 HD12 LEU 50 21.899 6.375 36.810 350 HD13 LEU 50 HD13 LEU 50 21.645 4.636 36.959 351 HD21 LEU 50 HD21 LEU 50 23.577 5.773 35.050 352 HD22 LEU 50 HD22 LEU 50 23.050 4.993 33.558 353 HD23 LEU 50 HD23 LEU 50 23.155 4.061 35.051 354 H TRP 51 HN TRP 51 19.270 7.338 33.050 355 HA TRP 51 HA TRP 51 17.751 7.922 35.433 356 HB2 TRP 51 HB2 TRP 51 18.731 9.900 35.033 357 HB3 TRP 51 HB1 TRP 51 19.170 9.415 33.395 358 HD1 TRP 51 HD1 TRP 51 17.279 9.769 31.475 359 HE1 TRP 51 HE1 TRP 51 15.409 11.536 31.293 360 HE3 TRP 51 HE3 TRP 51 17.095 11.363 36.323 361 HZ2 TRP 51 HZ2 TRP 51 14.020 13.381 32.982 362 HZ3 TRP 51 HZ3 TRP 51 15.492 13.123 37.008 363 HH2 TRP 51 HH2 TRP 51 13.955 14.133 35.345 364 H THR 52 HN THR 52 17.092 7.476 32.007 365 HA THR 52 HA THR 52 14.419 8.449 32.037 366 HB THR 52 HB THR 52 16.016 7.920 30.028 367 HG1 THR 52 HG1 THR 52 13.805 7.155 28.985 368 HG21 THR 52 HG21 THR 52 15.888 5.767 29.102 369 HG22 THR 52 HG22 THR 52 14.460 5.344 30.047 370 HG23 THR 52 HG23 THR 52 16.038 5.441 30.829 371 H VAL 53 HN VAL 53 15.887 5.493 33.061 372 HA VAL 53 HA VAL 53 13.501 3.887 32.939 373 HB VAL 53 HB VAL 53 16.048 3.436 34.510 374 HG11 VAL 53 HG11 VAL 53 13.700 1.691 33.749 375 HG12 VAL 53 HG12 VAL 53 14.352 1.995 35.359 376 HG13 VAL 53 HG13 VAL 53 15.261 1.013 34.210 377 HG21 VAL 53 HG21 VAL 53 16.783 3.503 32.292 378 HG22 VAL 53 HG22 VAL 53 15.246 2.911 31.661 379 HG23 VAL 53 HG23 VAL 53 16.355 1.802 32.469 380 H PHE 54 HN PHE 54 15.094 5.906 35.330 381 HA PHE 54 HA PHE 54 13.408 5.041 37.509 382 HB2 PHE 54 HB2 PHE 54 15.178 5.899 38.596 383 HB3 PHE 54 HB1 PHE 54 15.732 6.754 37.155 384 HD1 PHE 54 HD1 PHE 54 13.540 6.946 40.130 385 HD2 PHE 54 HD2 PHE 54 15.137 9.061 36.749 386 HE1 PHE 54 HE1 PHE 54 12.732 9.086 41.087 387 HE2 PHE 54 HE2 PHE 54 14.329 11.201 37.707 388 HZ PHE 54 HZ PHE 54 13.126 11.214 39.875 389 H ARG 55 HN ARG 55 13.003 7.085 34.863 390 HA ARG 55 HA ARG 55 11.132 8.886 36.213 391 HB2 ARG 55 HB2 ARG 55 12.306 8.759 33.445 392 HB3 ARG 55 HB1 ARG 55 10.911 9.780 33.798 393 HG2 ARG 55 HG2 ARG 55 13.153 9.980 35.724 394 HG3 ARG 55 HG1 ARG 55 13.483 10.604 34.108 395 HD2 ARG 55 HD2 ARG 55 12.436 12.216 35.859 396 HD3 ARG 55 HD1 ARG 55 11.764 12.196 34.231 397 HE ARG 55 HE ARG 55 10.265 10.346 35.574 398 HH11 ARG 55 HH21 ARG 55 11.172 13.641 36.110 399 HH12 ARG 55 HH22 ARG 55 9.720 14.047 36.962 400 HH21 ARG 55 HH11 ARG 55 8.357 10.870 36.690 401 HH22 ARG 55 HH12 ARG 55 8.126 12.479 37.289 402 H LYS 56 HN LYS 56 11.095 6.637 33.440 403 HA LYS 56 HA LYS 56 8.409 6.671 32.834 404 HB2 LYS 56 HB2 LYS 56 10.222 4.245 32.869 405 HB3 LYS 56 HB1 LYS 56 8.705 4.387 31.977 406 HG2 LYS 56 HG2 LYS 56 10.455 6.644 31.434 407 HG3 LYS 56 HG1 LYS 56 11.250 5.115 31.056 408 HD2 LYS 56 HD2 LYS 56 9.333 4.435 29.679 409 HD3 LYS 56 HD1 LYS 56 8.497 5.935 30.081 410 HE2 LYS 56 HE2 LYS 56 11.248 6.052 28.879 411 HE3 LYS 56 HE1 LYS 56 9.851 5.779 27.837 412 HZ1 LYS 56 HZ1 LYS 56 9.519 7.899 29.769 413 HZ2 LYS 56 HZ2 LYS 56 9.134 7.863 28.114 414 HZ3 LYS 56 HZ3 LYS 56 10.724 8.195 28.612 415 H LYS 57 HN LYS 57 10.000 4.445 35.131 416 HA LYS 57 HA LYS 57 7.517 3.392 36.097 417 HB2 LYS 57 HB2 LYS 57 10.348 3.232 37.145 418 HB3 LYS 57 HB1 LYS 57 8.985 2.394 37.887 419 HG2 LYS 57 HG2 LYS 57 8.847 0.856 36.209 420 HG3 LYS 57 HG1 LYS 57 9.239 2.039 34.960 421 HD2 LYS 57 HD2 LYS 57 11.573 1.883 35.397 422 HD3 LYS 57 HD1 LYS 57 11.307 1.038 36.922 423 HE2 LYS 57 HE2 LYS 57 12.036 -0.408 34.931 424 HE3 LYS 57 HE1 LYS 57 10.615 -0.954 35.821 425 HZ1 LYS 57 HZ1 LYS 57 10.598 0.623 33.305 426 HZ2 LYS 57 HZ2 LYS 57 9.218 0.145 34.174 427 HZ3 LYS 57 HZ3 LYS 57 10.218 -1.023 33.452 428 H GLY 58 HN GLY 58 7.062 5.999 36.262 429 HA2 GLY 58 HA2 GLY 58 7.640 6.859 39.018 430 HA3 GLY 58 HA1 GLY 58 7.051 7.893 37.720 431 H HIS 59 HN HIS 59 4.830 7.701 37.062 432 HA HIS 59 HA HIS 59 3.090 6.973 39.301 433 HB2 HIS 59 HB2 HIS 59 2.341 8.343 36.712 434 HB3 HIS 59 HB1 HIS 59 1.403 8.286 38.205 435 HD2 HIS 59 HD2 HIS 59 3.439 9.331 40.426 436 HE1 HIS 59 HE1 HIS 59 4.441 12.466 37.782 437 HE2 HIS 59 HE2 HIS 59 4.550 11.683 40.196 438 H HIS 60 HN HIS 60 3.294 6.410 35.786 439 HA HIS 60 HA HIS 60 2.212 4.848 34.462 440 HB2 HIS 60 HB2 HIS 60 2.808 2.542 35.126 441 HB3 HIS 60 HB1 HIS 60 4.176 3.645 35.262 442 HD2 HIS 60 HD2 HIS 60 2.011 1.369 37.547 443 HE1 HIS 60 HE1 HIS 60 4.649 3.512 40.054 444 HE2 HIS 60 HE2 HIS 60 2.963 1.615 39.967 445 H HIS 61 HN HIS 61 0.032 5.335 34.565 446 HA HIS 61 HA HIS 61 -1.641 4.577 36.757 447 HB2 HIS 61 HB2 HIS 61 -3.494 5.075 35.095 448 HB3 HIS 61 HB1 HIS 61 -2.370 6.401 35.398 449 HD2 HIS 61 HD2 HIS 61 -0.311 6.636 33.278 450 HE1 HIS 61 HE1 HIS 61 -2.722 4.680 30.417 451 HE2 HIS 61 HE2 HIS 61 -0.641 6.099 30.744 452 H HIS 62 HN HIS 62 -3.827 3.372 35.693 453 HA HIS 62 HA HIS 62 -3.362 0.678 35.881 454 HB2 HIS 62 HB2 HIS 62 -5.450 1.780 34.003 455 HB3 HIS 62 HB1 HIS 62 -5.531 0.326 34.999 456 HD2 HIS 62 HD2 HIS 62 -6.655 3.947 35.216 457 HE1 HIS 62 HE1 HIS 62 -6.471 2.586 39.209 458 HE2 HIS 62 HE2 HIS 62 -7.293 4.454 37.697 459 H HIS 63 HN HIS 63 -2.274 -0.750 34.702 460 HA HIS 63 HA HIS 63 -0.944 -0.150 32.315 461 HB2 HIS 63 HB2 HIS 63 -1.766 -2.948 33.062 462 HB3 HIS 63 HB1 HIS 63 -0.287 -2.410 32.266 463 HD2 HIS 63 HD2 HIS 63 1.652 -1.228 34.032 464 HE1 HIS 63 HE1 HIS 63 -0.319 -2.378 37.583 465 HE2 HIS 63 HE2 HIS 63 1.836 -1.432 36.629 466 H HIS 64 HN HIS 64 -1.341 -1.993 30.434 467 HA HIS 64 HA HIS 64 -2.575 -2.363 28.527 468 HB2 HIS 64 HB2 HIS 64 -4.911 -2.581 30.433 469 HB3 HIS 64 HB1 HIS 64 -4.726 -3.363 28.862 470 HD2 HIS 64 HD2 HIS 64 -1.865 -4.811 29.128 471 HE1 HIS 64 HE1 HIS 64 -3.228 -6.327 32.824 472 HE2 HIS 64 HE2 HIS 64 -1.492 -6.601 30.991 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 47.424 -11.647 -31.052 2 H2 MET 1 HT2 MET 1 48.946 -11.327 -31.736 3 H3 MET 1 HT3 MET 1 48.218 -12.848 -31.947 4 HA MET 1 HA MET 1 47.823 -10.397 -33.405 5 HB2 MET 1 HB2 MET 1 46.962 -12.096 -35.075 6 HB3 MET 1 HB1 MET 1 48.616 -12.374 -34.527 7 HG2 MET 1 HG2 MET 1 46.620 -13.654 -32.806 8 HG3 MET 1 HG1 MET 1 46.572 -14.244 -34.467 9 HE1 MET 1 HE1 MET 1 48.451 -16.988 -32.642 10 HE2 MET 1 HE2 MET 1 46.879 -16.238 -32.906 11 HE3 MET 1 HE3 MET 1 47.813 -15.829 -31.469 12 H GLU 2 HN GLU 2 45.623 -10.444 -34.705 13 HA GLU 2 HA GLU 2 43.504 -10.313 -32.673 14 HB2 GLU 2 HB2 GLU 2 42.282 -9.041 -34.485 15 HB3 GLU 2 HB1 GLU 2 43.760 -8.275 -33.906 16 HG2 GLU 2 HG2 GLU 2 44.829 -8.546 -35.894 17 HG3 GLU 2 HG1 GLU 2 44.156 -10.155 -36.144 18 H GLU 3 HN GLU 3 43.572 -12.780 -32.825 19 HA GLU 3 HA GLU 3 41.299 -13.638 -34.346 20 HB2 GLU 3 HB2 GLU 3 42.741 -13.858 -36.203 21 HB3 GLU 3 HB1 GLU 3 44.060 -14.484 -35.211 22 HG2 GLU 3 HG2 GLU 3 43.108 -16.593 -35.029 23 HG3 GLU 3 HG1 GLU 3 41.472 -15.991 -35.283 24 H GLY 4 HN GLY 4 40.437 -14.435 -32.476 25 HA2 GLY 4 HA2 GLY 4 40.051 -16.480 -31.274 26 HA3 GLY 4 HA1 GLY 4 41.781 -16.801 -31.337 27 H GLY 5 HN GLY 5 40.428 -13.666 -30.535 28 HA2 GLY 5 HA2 GLY 5 41.971 -13.284 -28.239 29 HA3 GLY 5 HA1 GLY 5 40.492 -12.401 -28.613 30 H ASP 6 HN ASP 6 41.596 -13.542 -26.053 31 HA ASP 6 HA ASP 6 39.123 -14.912 -25.231 32 HB2 ASP 6 HB2 ASP 6 41.918 -15.935 -25.017 33 HB3 ASP 6 HB1 ASP 6 40.813 -16.252 -23.680 34 H PHE 7 HN PHE 7 38.332 -14.209 -23.327 35 HA PHE 7 HA PHE 7 39.664 -11.989 -22.025 36 HB2 PHE 7 HB2 PHE 7 36.971 -13.236 -21.950 37 HB3 PHE 7 HB1 PHE 7 37.507 -12.431 -20.474 38 HD1 PHE 7 HD1 PHE 7 38.210 -10.026 -20.547 39 HD2 PHE 7 HD2 PHE 7 36.410 -11.989 -23.917 40 HE1 PHE 7 HE1 PHE 7 37.715 -7.820 -21.568 41 HE2 PHE 7 HE2 PHE 7 35.917 -9.783 -24.938 42 HZ PHE 7 HZ PHE 7 36.569 -7.699 -23.764 43 H ASP 8 HN ASP 8 39.366 -12.058 -19.473 44 HA ASP 8 HA ASP 8 40.112 -14.656 -18.361 45 HB2 ASP 8 HB2 ASP 8 41.930 -12.250 -18.404 46 HB3 ASP 8 HB1 ASP 8 42.094 -13.527 -17.202 47 H ASN 9 HN ASN 9 37.758 -13.437 -17.889 48 HA ASN 9 HA ASN 9 38.040 -12.604 -15.083 49 HB2 ASN 9 HB2 ASN 9 36.239 -11.180 -17.053 50 HB3 ASN 9 HB1 ASN 9 36.472 -10.783 -15.351 51 HD21 ASN 9 HD21 ASN 9 38.002 -9.178 -14.965 52 HD22 ASN 9 HD22 ASN 9 39.256 -8.757 -16.027 53 H TYR 10 HN TYR 10 37.353 -15.139 -15.972 54 HA TYR 10 HA TYR 10 34.625 -15.643 -16.350 55 HB2 TYR 10 HB2 TYR 10 36.809 -17.284 -15.063 56 HB3 TYR 10 HB1 TYR 10 35.175 -17.898 -15.313 57 HD1 TYR 10 HD2 TYR 10 38.072 -16.361 -17.106 58 HD2 TYR 10 HD1 TYR 10 34.517 -18.753 -17.411 59 HE1 TYR 10 HE2 TYR 10 38.628 -16.887 -19.464 60 HE2 TYR 10 HE1 TYR 10 35.073 -19.278 -19.770 61 HH TYR 10 HH TYR 10 36.697 -17.813 -21.645 62 H TYR 11 HN TYR 11 36.514 -15.430 -13.343 63 HA TYR 11 HA TYR 11 34.629 -16.125 -11.471 64 HB2 TYR 11 HB2 TYR 11 36.057 -15.226 -9.950 65 HB3 TYR 11 HB1 TYR 11 37.123 -15.054 -11.345 66 HD1 TYR 11 HD1 TYR 11 36.944 -12.871 -12.719 67 HD2 TYR 11 HD2 TYR 11 35.341 -13.324 -8.760 68 HE1 TYR 11 HE1 TYR 11 36.893 -10.406 -12.459 69 HE2 TYR 11 HE2 TYR 11 35.290 -10.858 -8.499 70 HH TYR 11 HH TYR 11 35.670 -8.901 -9.462 71 H GLY 12 HN GLY 12 33.544 -14.502 -9.910 72 HA2 GLY 12 HA2 GLY 12 32.464 -12.119 -11.182 73 HA3 GLY 12 HA1 GLY 12 31.302 -13.413 -10.904 74 H ALA 13 HN ALA 13 31.007 -14.166 -8.689 75 HA ALA 13 HA ALA 13 30.396 -13.662 -6.523 76 HB1 ALA 13 HB1 ALA 13 33.145 -12.423 -6.360 77 HB2 ALA 13 HB2 ALA 13 32.885 -14.167 -6.392 78 HB3 ALA 13 HB3 ALA 13 32.228 -13.201 -5.070 79 H ASP 14 HN ASP 14 29.160 -11.891 -8.015 80 HA ASP 14 HA ASP 14 29.839 -9.201 -7.029 81 HB2 ASP 14 HB2 ASP 14 27.892 -8.639 -8.704 82 HB3 ASP 14 HB1 ASP 14 29.504 -9.008 -9.314 83 H ASN 15 HN ASN 15 29.069 -10.048 -4.866 84 HA ASN 15 HA ASN 15 26.353 -9.141 -4.451 85 HB2 ASN 15 HB2 ASN 15 26.805 -11.909 -4.825 86 HB3 ASN 15 HB1 ASN 15 26.524 -11.669 -3.101 87 HD21 ASN 15 HD21 ASN 15 24.348 -11.721 -2.547 88 HD22 ASN 15 HD22 ASN 15 23.070 -11.287 -3.576 89 H GLN 16 HN GLN 16 29.279 -8.742 -3.633 90 HA GLN 16 HA GLN 16 29.536 -9.392 -0.889 91 HB2 GLN 16 HB2 GLN 16 31.343 -7.729 -0.876 92 HB3 GLN 16 HB1 GLN 16 31.454 -8.761 -2.302 93 HG2 GLN 16 HG2 GLN 16 29.816 -6.741 -3.192 94 HG3 GLN 16 HG1 GLN 16 30.910 -5.875 -2.115 95 HE21 GLN 16 HE21 GLN 16 31.417 -8.660 -4.361 96 HE22 GLN 16 HE22 GLN 16 32.713 -7.936 -5.186 97 H SER 17 HN SER 17 28.039 -6.713 -2.586 98 HA SER 17 HA SER 17 26.957 -4.817 -1.824 99 HB2 SER 17 HB2 SER 17 25.434 -6.802 -1.280 100 HB3 SER 17 HB1 SER 17 25.992 -6.635 0.381 101 HG SER 17 HG SER 17 24.843 -4.876 0.579 102 H GLU 18 HN GLU 18 26.203 -3.928 0.652 103 HA GLU 18 HA GLU 18 28.791 -3.182 1.795 104 HB2 GLU 18 HB2 GLU 18 26.677 -1.646 1.206 105 HB3 GLU 18 HB1 GLU 18 26.248 -2.069 2.863 106 HG2 GLU 18 HG2 GLU 18 28.641 -1.406 3.492 107 HG3 GLU 18 HG1 GLU 18 28.750 -0.685 1.887 108 H CYS 19 HN CYS 19 29.569 -4.131 3.557 109 HA CYS 19 HA CYS 19 27.963 -4.783 5.824 110 HB2 CYS 19 HB2 CYS 19 28.942 -7.330 5.408 111 HB3 CYS 19 HB1 CYS 19 27.271 -6.823 5.161 112 HG CYS 19 HG CYS 19 27.889 -7.722 2.865 113 H GLU 20 HN GLU 20 29.300 -4.226 7.410 114 HA GLU 20 HA GLU 20 31.154 -4.258 8.785 115 HB2 GLU 20 HB2 GLU 20 31.363 -6.657 7.610 116 HB3 GLU 20 HB1 GLU 20 32.783 -5.885 6.902 117 HG2 GLU 20 HG2 GLU 20 33.512 -5.225 9.201 118 HG3 GLU 20 HG1 GLU 20 32.151 -6.135 9.856 119 H TYR 21 HN TYR 21 30.780 -2.791 5.995 120 HA TYR 21 HA TYR 21 33.481 -1.954 5.399 121 HB2 TYR 21 HB2 TYR 21 32.583 -0.861 3.582 122 HB3 TYR 21 HB1 TYR 21 31.327 -2.069 3.851 123 HD1 TYR 21 HD1 TYR 21 29.848 -1.134 6.136 124 HD2 TYR 21 HD2 TYR 21 31.572 1.149 2.931 125 HE1 TYR 21 HE1 TYR 21 28.190 0.669 6.528 126 HE2 TYR 21 HE2 TYR 21 29.915 2.951 3.323 127 HH TYR 21 HH TYR 21 27.993 3.479 4.383 128 H THR 22 HN THR 22 31.756 -1.392 8.018 129 HA THR 22 HA THR 22 32.130 1.511 8.158 130 HB THR 22 HB THR 22 30.934 -0.406 10.173 131 HG1 THR 22 HG1 THR 22 29.859 1.234 8.142 132 HG21 THR 22 HG21 THR 22 31.633 1.507 11.370 133 HG22 THR 22 HG22 THR 22 29.943 1.837 10.988 134 HG23 THR 22 HG23 THR 22 31.224 2.592 10.041 135 H ASP 23 HN ASP 23 33.181 -1.455 9.808 136 HA ASP 23 HA ASP 23 35.240 0.095 11.233 137 HB2 ASP 23 HB2 ASP 23 34.059 -2.647 11.646 138 HB3 ASP 23 HB1 ASP 23 35.551 -2.149 12.443 139 H TRP 24 HN TRP 24 35.364 -0.558 8.359 140 HA TRP 24 HA TRP 24 36.996 -2.689 7.705 141 HB2 TRP 24 HB2 TRP 24 37.938 -0.935 5.953 142 HB3 TRP 24 HB1 TRP 24 36.289 -1.540 5.839 143 HD1 TRP 24 HD1 TRP 24 37.237 0.983 8.535 144 HE1 TRP 24 HE1 TRP 24 36.025 3.206 8.058 145 HE3 TRP 24 HE3 TRP 24 35.261 -0.058 3.942 146 HZ2 TRP 24 HZ2 TRP 24 34.424 4.387 6.002 147 HZ3 TRP 24 HZ3 TRP 24 33.897 1.632 2.748 148 HH2 TRP 24 HH2 TRP 24 33.477 3.852 3.771 149 H LYS 25 HN LYS 25 38.737 0.241 7.196 150 HA LYS 25 HA LYS 25 41.175 -0.735 8.122 151 HB2 LYS 25 HB2 LYS 25 40.180 2.101 7.798 152 HB3 LYS 25 HB1 LYS 25 41.852 1.703 8.195 153 HG2 LYS 25 HG2 LYS 25 42.121 0.461 6.145 154 HG3 LYS 25 HG1 LYS 25 40.399 0.589 5.782 155 HD2 LYS 25 HD2 LYS 25 41.806 3.159 6.233 156 HD3 LYS 25 HD1 LYS 25 42.263 2.285 4.770 157 HE2 LYS 25 HE2 LYS 25 40.033 2.284 3.945 158 HE3 LYS 25 HE1 LYS 25 39.372 2.751 5.512 159 HZ1 LYS 25 HZ1 LYS 25 39.385 4.757 4.477 160 HZ2 LYS 25 HZ2 LYS 25 40.724 4.388 3.500 161 HZ3 LYS 25 HZ3 LYS 25 40.949 4.796 5.134 162 H SER 26 HN SER 26 40.177 2.205 9.692 163 HA SER 26 HA SER 26 40.326 2.841 11.902 164 HB2 SER 26 HB2 SER 26 39.069 1.208 13.449 165 HB3 SER 26 HB1 SER 26 38.163 1.941 12.128 166 HG SER 26 HG SER 26 39.398 -0.622 12.138 167 H SER 27 HN SER 27 42.505 1.108 10.762 168 HA SER 27 HA SER 27 44.451 0.130 11.492 169 HB2 SER 27 HB2 SER 27 44.118 2.175 13.131 170 HB3 SER 27 HB1 SER 27 43.834 0.903 14.315 171 HG SER 27 HG SER 27 46.130 1.774 13.570 172 H GLY 28 HN GLY 28 42.110 -1.486 11.355 173 HA2 GLY 28 HA2 GLY 28 41.751 -3.750 11.792 174 HA3 GLY 28 HA1 GLY 28 42.963 -3.671 13.068 175 H ALA 29 HN ALA 29 40.762 -1.131 13.310 176 HA ALA 29 HA ALA 29 39.271 -0.619 14.999 177 HB1 ALA 29 HB1 ALA 29 38.218 -3.238 13.920 178 HB2 ALA 29 HB2 ALA 29 37.718 -1.607 13.472 179 HB3 ALA 29 HB3 ALA 29 37.327 -2.241 15.071 180 H LEU 30 HN LEU 30 41.397 -1.283 16.310 181 HA LEU 30 HA LEU 30 40.470 -3.133 18.420 182 HB2 LEU 30 HB2 LEU 30 43.125 -3.048 17.019 183 HB3 LEU 30 HB1 LEU 30 43.026 -3.595 18.693 184 HG LEU 30 HG LEU 30 41.085 -4.722 16.711 185 HD11 LEU 30 HD11 LEU 30 43.985 -5.566 17.000 186 HD12 LEU 30 HD12 LEU 30 43.221 -4.927 15.545 187 HD13 LEU 30 HD13 LEU 30 42.746 -6.506 16.170 188 HD21 LEU 30 HD21 LEU 30 41.349 -5.110 19.332 189 HD22 LEU 30 HD22 LEU 30 42.585 -6.254 18.805 190 HD23 LEU 30 HD23 LEU 30 40.918 -6.442 18.260 191 H ILE 31 HN ILE 31 42.204 -0.252 17.483 192 HA ILE 31 HA ILE 31 42.994 0.396 20.187 193 HB ILE 31 HB ILE 31 43.572 1.368 17.510 194 HG12 ILE 31 HG12 ILE 31 45.135 0.370 19.225 195 HG13 ILE 31 HG11 ILE 31 45.695 1.876 18.503 196 HG21 ILE 31 HG21 ILE 31 43.069 3.455 19.663 197 HG22 ILE 31 HG22 ILE 31 42.287 3.347 18.083 198 HG23 ILE 31 HG23 ILE 31 43.999 3.738 18.194 199 HD11 ILE 31 HD11 ILE 31 44.071 2.311 20.911 200 HD12 ILE 31 HD12 ILE 31 45.653 2.961 20.489 201 HD13 ILE 31 HD13 ILE 31 45.524 1.363 21.221 202 HA PRO 32 HA PRO 32 39.401 3.645 19.361 203 HB2 PRO 32 HB2 PRO 32 37.538 1.831 17.925 204 HB3 PRO 32 HB1 PRO 32 37.889 3.544 17.638 205 HG2 PRO 32 HG2 PRO 32 38.778 1.639 16.000 206 HG3 PRO 32 HG1 PRO 32 39.730 3.092 16.351 207 HD2 PRO 32 HD2 PRO 32 40.088 0.306 17.390 208 HD3 PRO 32 HD1 PRO 32 41.317 1.523 16.976 209 H ALA 33 HN ALA 33 38.898 0.176 19.766 210 HA ALA 33 HA ALA 33 36.617 0.225 21.397 211 HB1 ALA 33 HB1 ALA 33 37.102 -2.011 21.911 212 HB2 ALA 33 HB2 ALA 33 38.843 -1.758 21.794 213 HB3 ALA 33 HB3 ALA 33 37.857 -1.786 20.333 214 H ILE 34 HN ILE 34 39.939 0.987 22.077 215 HA ILE 34 HA ILE 34 39.605 0.856 24.959 216 HB ILE 34 HB ILE 34 41.861 1.741 23.158 217 HG12 ILE 34 HG12 ILE 34 41.825 -0.432 25.257 218 HG13 ILE 34 HG11 ILE 34 41.251 -0.733 23.616 219 HG21 ILE 34 HG21 ILE 34 41.424 2.138 26.089 220 HG22 ILE 34 HG22 ILE 34 42.281 3.160 24.935 221 HG23 ILE 34 HG23 ILE 34 43.042 1.692 25.548 222 HD11 ILE 34 HD11 ILE 34 43.856 -1.004 24.390 223 HD12 ILE 34 HD12 ILE 34 43.857 0.653 23.784 224 HD13 ILE 34 HD13 ILE 34 43.350 -0.671 22.733 225 H TYR 35 HN TYR 35 39.590 3.270 22.411 226 HA TYR 35 HA TYR 35 39.739 5.569 24.069 227 HB2 TYR 35 HB2 TYR 35 39.516 5.018 21.299 228 HB3 TYR 35 HB1 TYR 35 38.168 6.075 21.721 229 HD1 TYR 35 HD1 TYR 35 38.706 8.160 23.167 230 HD2 TYR 35 HD2 TYR 35 41.675 5.910 21.026 231 HE1 TYR 35 HE1 TYR 35 40.254 10.095 23.280 232 HE2 TYR 35 HE2 TYR 35 43.222 7.846 21.139 233 HH TYR 35 HH TYR 35 42.176 10.974 22.217 234 H MET 36 HN MET 36 36.995 3.769 22.699 235 HA MET 36 HA MET 36 34.968 5.447 23.738 236 HB2 MET 36 HB2 MET 36 33.468 3.520 23.318 237 HB3 MET 36 HB1 MET 36 34.518 3.857 21.942 238 HG2 MET 36 HG2 MET 36 36.077 2.088 22.722 239 HG3 MET 36 HG1 MET 36 34.979 1.729 24.052 240 HE1 MET 36 HE1 MET 36 35.512 2.220 20.460 241 HE2 MET 36 HE2 MET 36 33.812 2.541 20.132 242 HE3 MET 36 HE3 MET 36 34.534 1.025 19.598 243 H LEU 37 HN LEU 37 36.746 2.730 25.075 244 HA LEU 37 HA LEU 37 35.149 2.080 27.259 245 HB2 LEU 37 HB2 LEU 37 37.709 1.411 26.351 246 HB3 LEU 37 HB1 LEU 37 37.976 2.100 27.950 247 HG LEU 37 HG LEU 37 37.606 -0.294 28.173 248 HD11 LEU 37 HD11 LEU 37 36.277 -0.072 30.001 249 HD12 LEU 37 HD12 LEU 37 34.941 0.596 29.065 250 HD13 LEU 37 HD13 LEU 37 36.266 1.640 29.579 251 HD21 LEU 37 HD21 LEU 37 34.844 -0.494 27.424 252 HD22 LEU 37 HD22 LEU 37 36.220 -1.386 26.776 253 HD23 LEU 37 HD23 LEU 37 35.750 0.155 26.058 254 H VAL 38 HN VAL 38 37.590 4.630 26.928 255 HA VAL 38 HA VAL 38 36.966 5.618 29.616 256 HB VAL 38 HB VAL 38 38.916 6.925 27.748 257 HG11 VAL 38 HG11 VAL 38 38.950 6.401 30.736 258 HG12 VAL 38 HG12 VAL 38 38.345 7.884 29.996 259 HG13 VAL 38 HG13 VAL 38 40.048 7.449 29.836 260 HG21 VAL 38 HG21 VAL 38 40.568 5.257 28.970 261 HG22 VAL 38 HG22 VAL 38 39.738 4.760 27.496 262 HG23 VAL 38 HG23 VAL 38 39.132 4.237 29.068 263 H PHE 39 HN PHE 39 34.976 5.775 27.495 264 HA PHE 39 HA PHE 39 34.698 8.717 27.331 265 HB2 PHE 39 HB2 PHE 39 35.156 7.718 25.110 266 HB3 PHE 39 HB1 PHE 39 33.741 6.686 25.303 267 HD1 PHE 39 HD1 PHE 39 34.671 10.313 25.612 268 HD2 PHE 39 HD2 PHE 39 31.731 7.432 24.379 269 HE1 PHE 39 HE1 PHE 39 33.225 12.145 24.777 270 HE2 PHE 39 HE2 PHE 39 30.287 9.265 23.543 271 HZ PHE 39 HZ PHE 39 31.033 11.622 23.742 272 H LEU 40 HN LEU 40 32.994 5.603 27.435 273 HA LEU 40 HA LEU 40 30.396 6.585 27.821 274 HB2 LEU 40 HB2 LEU 40 29.907 4.368 28.785 275 HB3 LEU 40 HB1 LEU 40 30.861 4.233 27.307 276 HG LEU 40 HG LEU 40 32.806 4.460 29.255 277 HD11 LEU 40 HD11 LEU 40 31.093 4.220 31.023 278 HD12 LEU 40 HD12 LEU 40 32.180 2.832 30.998 279 HD13 LEU 40 HD13 LEU 40 30.565 2.699 30.301 280 HD21 LEU 40 HD21 LEU 40 33.042 1.968 28.896 281 HD22 LEU 40 HD22 LEU 40 32.919 2.906 27.407 282 HD23 LEU 40 HD23 LEU 40 31.520 2.016 28.006 283 H LEU 41 HN LEU 41 33.087 6.254 30.019 284 HA LEU 41 HA LEU 41 31.416 6.780 32.350 285 HB2 LEU 41 HB2 LEU 41 33.117 5.941 33.589 286 HB3 LEU 41 HB1 LEU 41 33.665 5.287 32.053 287 HG LEU 41 HG LEU 41 34.613 7.857 33.371 288 HD11 LEU 41 HD11 LEU 41 36.795 6.642 33.321 289 HD12 LEU 41 HD12 LEU 41 35.943 5.212 32.738 290 HD13 LEU 41 HD13 LEU 41 35.587 5.860 34.340 291 HD21 LEU 41 HD21 LEU 41 36.264 7.207 31.193 292 HD22 LEU 41 HD22 LEU 41 35.136 8.557 31.277 293 HD23 LEU 41 HD23 LEU 41 34.625 7.023 30.575 294 H GLY 42 HN GLY 42 32.830 8.586 29.954 295 HA2 GLY 42 HA2 GLY 42 33.367 10.890 31.718 296 HA3 GLY 42 HA1 GLY 42 33.922 10.725 30.055 297 H THR 43 HN THR 43 31.178 9.654 29.336 298 HA THR 43 HA THR 43 29.939 12.286 28.936 299 HB THR 43 HB THR 43 30.250 11.021 26.909 300 HG1 THR 43 HG1 THR 43 28.224 12.111 27.228 301 HG21 THR 43 HG21 THR 43 30.276 8.778 26.991 302 HG22 THR 43 HG22 THR 43 28.535 8.787 27.268 303 HG23 THR 43 HG23 THR 43 29.646 8.810 28.637 304 H THR 44 HN THR 44 27.715 9.855 28.486 305 HA THR 44 HA THR 44 25.783 10.698 30.197 306 HB THR 44 HB THR 44 24.994 8.272 30.241 307 HG1 THR 44 HG1 THR 44 26.236 7.001 28.675 308 HG21 THR 44 HG21 THR 44 23.960 9.209 28.459 309 HG22 THR 44 HG22 THR 44 25.185 8.388 27.491 310 HG23 THR 44 HG23 THR 44 25.417 10.072 27.963 311 H GLY 45 HN GLY 45 27.028 7.570 31.135 312 HA2 GLY 45 HA2 GLY 45 28.519 7.981 33.361 313 HA3 GLY 45 HA1 GLY 45 26.882 8.295 33.932 314 H ASN 46 HN ASN 46 25.921 6.297 31.836 315 HA ASN 46 HA ASN 46 25.113 4.135 32.039 316 HB2 ASN 46 HB2 ASN 46 26.849 2.472 31.770 317 HB3 ASN 46 HB1 ASN 46 27.293 3.906 30.845 318 HD21 ASN 46 HD21 ASN 46 28.941 5.377 31.858 319 HD22 ASN 46 HD22 ASN 46 30.053 4.732 32.967 320 H GLY 47 HN GLY 47 24.402 5.090 34.309 321 HA2 GLY 47 HA2 GLY 47 24.893 2.963 36.216 322 HA3 GLY 47 HA1 GLY 47 25.467 4.547 36.732 323 H LEU 48 HN LEU 48 23.681 6.328 36.147 324 HA LEU 48 HA LEU 48 20.995 5.345 36.790 325 HB2 LEU 48 HB2 LEU 48 22.402 5.987 38.904 326 HB3 LEU 48 HB1 LEU 48 22.078 7.642 38.386 327 HG LEU 48 HG LEU 48 19.596 6.706 38.156 328 HD11 LEU 48 HD11 LEU 48 20.586 4.403 38.912 329 HD12 LEU 48 HD12 LEU 48 19.051 4.939 39.596 330 HD13 LEU 48 HD13 LEU 48 20.540 5.110 40.527 331 HD21 LEU 48 HD21 LEU 48 19.409 7.278 40.728 332 HD22 LEU 48 HD22 LEU 48 19.881 8.532 39.581 333 HD23 LEU 48 HD23 LEU 48 21.108 7.715 40.548 334 H VAL 49 HN VAL 49 22.891 7.120 34.861 335 HA VAL 49 HA VAL 49 21.407 9.564 34.635 336 HB VAL 49 HB VAL 49 23.134 8.373 32.473 337 HG11 VAL 49 HG11 VAL 49 21.816 10.509 32.130 338 HG12 VAL 49 HG12 VAL 49 23.560 10.683 31.935 339 HG13 VAL 49 HG13 VAL 49 22.778 11.229 33.419 340 HG21 VAL 49 HG21 VAL 49 24.528 8.122 34.373 341 HG22 VAL 49 HG22 VAL 49 23.926 9.603 35.115 342 HG23 VAL 49 HG23 VAL 49 24.987 9.690 33.710 343 H LEU 50 HN LEU 50 21.245 6.387 33.167 344 HA LEU 50 HA LEU 50 19.503 7.110 31.018 345 HB2 LEU 50 HB2 LEU 50 19.638 4.362 32.236 346 HB3 LEU 50 HB1 LEU 50 19.381 4.813 30.550 347 HG LEU 50 HG LEU 50 21.949 5.065 32.137 348 HD11 LEU 50 HD11 LEU 50 21.228 3.523 29.625 349 HD12 LEU 50 HD12 LEU 50 21.439 2.821 31.229 350 HD13 LEU 50 HD13 LEU 50 22.813 3.548 30.396 351 HD21 LEU 50 HD21 LEU 50 21.080 6.233 29.500 352 HD22 LEU 50 HD22 LEU 50 22.775 5.829 29.775 353 HD23 LEU 50 HD23 LEU 50 21.968 7.007 30.812 354 H TRP 51 HN TRP 51 19.027 5.924 34.312 355 HA TRP 51 HA TRP 51 16.374 5.233 34.328 356 HB2 TRP 51 HB2 TRP 51 16.930 5.044 36.492 357 HB3 TRP 51 HB1 TRP 51 18.304 6.129 36.281 358 HD1 TRP 51 HD1 TRP 51 17.782 8.796 36.469 359 HE1 TRP 51 HE1 TRP 51 16.019 10.040 37.879 360 HE3 TRP 51 HE3 TRP 51 14.604 4.937 37.510 361 HZ2 TRP 51 HZ2 TRP 51 13.581 9.473 39.265 362 HZ3 TRP 51 HZ3 TRP 51 12.571 5.316 38.876 363 HH2 TRP 51 HH2 TRP 51 12.056 7.577 39.753 364 H THR 52 HN THR 52 17.722 8.334 33.704 365 HA THR 52 HA THR 52 15.259 9.779 34.269 366 HB THR 52 HB THR 52 17.924 10.627 33.120 367 HG1 THR 52 HG1 THR 52 16.663 11.485 35.486 368 HG21 THR 52 HG21 THR 52 15.292 11.991 33.223 369 HG22 THR 52 HG22 THR 52 16.657 12.253 32.136 370 HG23 THR 52 HG23 THR 52 16.677 12.942 33.759 371 H VAL 53 HN VAL 53 17.317 9.372 31.375 372 HA VAL 53 HA VAL 53 15.585 10.390 29.479 373 HB VAL 53 HB VAL 53 17.393 7.993 29.098 374 HG11 VAL 53 HG11 VAL 53 17.549 9.027 26.775 375 HG12 VAL 53 HG12 VAL 53 16.192 10.055 27.236 376 HG13 VAL 53 HG13 VAL 53 15.991 8.304 27.177 377 HG21 VAL 53 HG21 VAL 53 18.561 10.432 28.202 378 HG22 VAL 53 HG22 VAL 53 19.119 9.383 29.505 379 HG23 VAL 53 HG23 VAL 53 17.996 10.698 29.852 380 H PHE 54 HN PHE 54 15.768 7.052 30.696 381 HA PHE 54 HA PHE 54 13.789 5.933 29.055 382 HB2 PHE 54 HB2 PHE 54 14.642 4.174 30.166 383 HB3 PHE 54 HB1 PHE 54 15.216 5.195 31.485 384 HD1 PHE 54 HD2 PHE 54 12.066 3.732 30.080 385 HD2 PHE 54 HD1 PHE 54 14.155 5.103 33.574 386 HE1 PHE 54 HE2 PHE 54 10.200 2.938 31.507 387 HE2 PHE 54 HE1 PHE 54 12.288 4.309 35.000 388 HZ PHE 54 HZ PHE 54 10.310 3.227 33.967 389 H ARG 55 HN ARG 55 13.557 7.773 32.048 390 HA ARG 55 HA ARG 55 10.721 7.301 32.352 391 HB2 ARG 55 HB2 ARG 55 12.815 8.301 33.975 392 HB3 ARG 55 HB1 ARG 55 11.628 9.596 33.818 393 HG2 ARG 55 HG2 ARG 55 9.835 7.953 34.424 394 HG3 ARG 55 HG1 ARG 55 11.093 6.753 34.723 395 HD2 ARG 55 HD2 ARG 55 11.024 7.570 36.848 396 HD3 ARG 55 HD1 ARG 55 12.042 8.844 36.184 397 HE ARG 55 HE ARG 55 9.328 9.529 35.780 398 HH11 ARG 55 HH21 ARG 55 11.692 9.122 38.275 399 HH12 ARG 55 HH22 ARG 55 10.975 10.289 39.336 400 HH21 ARG 55 HH11 ARG 55 8.382 11.060 37.166 401 HH22 ARG 55 HH12 ARG 55 9.101 11.386 38.708 402 H LYS 56 HN LYS 56 12.803 9.908 31.171 403 HA LYS 56 HA LYS 56 11.060 11.995 30.874 404 HB2 LYS 56 HB2 LYS 56 13.282 11.005 29.103 405 HB3 LYS 56 HB1 LYS 56 12.353 12.443 28.676 406 HG2 LYS 56 HG2 LYS 56 13.424 12.225 31.462 407 HG3 LYS 56 HG1 LYS 56 14.546 12.635 30.163 408 HD2 LYS 56 HD2 LYS 56 11.935 14.094 30.291 409 HD3 LYS 56 HD1 LYS 56 13.196 14.532 31.444 410 HE2 LYS 56 HE2 LYS 56 14.716 15.132 29.726 411 HE3 LYS 56 HE1 LYS 56 13.768 14.307 28.488 412 HZ1 LYS 56 HZ1 LYS 56 12.110 16.176 29.722 413 HZ2 LYS 56 HZ2 LYS 56 12.693 16.189 28.126 414 HZ3 LYS 56 HZ3 LYS 56 13.564 16.968 29.359 415 H LYS 57 HN LYS 57 10.855 8.920 29.385 416 HA LYS 57 HA LYS 57 9.077 9.861 27.258 417 HB2 LYS 57 HB2 LYS 57 9.502 6.956 27.712 418 HB3 LYS 57 HB1 LYS 57 9.463 7.868 26.204 419 HG2 LYS 57 HG2 LYS 57 11.738 7.803 28.209 420 HG3 LYS 57 HG1 LYS 57 11.736 7.084 26.600 421 HD2 LYS 57 HD2 LYS 57 11.045 9.656 26.005 422 HD3 LYS 57 HD1 LYS 57 12.100 9.908 27.397 423 HE2 LYS 57 HE2 LYS 57 13.821 8.468 26.294 424 HE3 LYS 57 HE1 LYS 57 12.780 8.369 24.874 425 HZ1 LYS 57 HZ1 LYS 57 14.632 10.293 25.342 426 HZ2 LYS 57 HZ2 LYS 57 13.184 11.056 25.797 427 HZ3 LYS 57 HZ3 LYS 57 13.353 10.409 24.235 428 H GLY 58 HN GLY 58 8.146 10.298 29.876 429 HA2 GLY 58 HA2 GLY 58 6.289 8.192 30.588 430 HA3 GLY 58 HA1 GLY 58 6.431 9.771 31.358 431 H HIS 59 HN HIS 59 5.899 11.599 29.572 432 HA HIS 59 HA HIS 59 3.452 10.819 28.127 433 HB2 HIS 59 HB2 HIS 59 3.664 12.618 30.442 434 HB3 HIS 59 HB1 HIS 59 2.805 13.309 29.064 435 HD2 HIS 59 HD2 HIS 59 2.596 9.739 30.861 436 HE1 HIS 59 HE1 HIS 59 -1.293 11.058 29.882 437 HE2 HIS 59 HE2 HIS 59 0.046 9.184 30.950 438 H HIS 60 HN HIS 60 4.749 14.029 28.815 439 HA HIS 60 HA HIS 60 5.674 14.253 26.042 440 HB2 HIS 60 HB2 HIS 60 3.390 15.172 26.125 441 HB3 HIS 60 HB1 HIS 60 3.883 16.263 27.420 442 HD2 HIS 60 HD2 HIS 60 4.234 18.721 26.215 443 HE1 HIS 60 HE1 HIS 60 6.222 17.406 22.731 444 HE2 HIS 60 HE2 HIS 60 5.412 19.449 24.002 445 H HIS 61 HN HIS 61 6.929 16.337 25.729 446 HA HIS 61 HA HIS 61 8.953 16.493 27.760 447 HB2 HIS 61 HB2 HIS 61 8.628 17.323 25.010 448 HB3 HIS 61 HB1 HIS 61 9.301 18.635 25.978 449 HD2 HIS 61 HD2 HIS 61 10.153 14.752 25.554 450 HE1 HIS 61 HE1 HIS 61 13.718 16.910 26.239 451 HE2 HIS 61 HE2 HIS 61 12.752 14.608 25.771 452 H HIS 62 HN HIS 62 8.718 17.613 29.579 453 HA HIS 62 HA HIS 62 6.748 19.355 30.306 454 HB2 HIS 62 HB2 HIS 62 8.272 20.231 32.004 455 HB3 HIS 62 HB1 HIS 62 8.480 18.487 31.846 456 HD2 HIS 62 HD2 HIS 62 10.533 21.753 31.311 457 HE1 HIS 62 HE1 HIS 62 12.964 18.519 30.102 458 HE2 HIS 62 HE2 HIS 62 12.929 21.013 30.579 459 H HIS 63 HN HIS 63 9.796 20.193 28.686 460 HA HIS 63 HA HIS 63 9.717 22.926 28.677 461 HB2 HIS 63 HB2 HIS 63 11.109 20.973 27.262 462 HB3 HIS 63 HB1 HIS 63 10.321 21.935 26.010 463 HD2 HIS 63 HD2 HIS 63 13.251 22.252 28.528 464 HE1 HIS 63 HE1 HIS 63 12.744 26.041 26.738 465 HE2 HIS 63 HE2 HIS 63 14.255 24.642 28.224 466 H HIS 64 HN HIS 64 9.099 24.413 26.862 467 HA HIS 64 HA HIS 64 6.369 24.573 26.516 468 HB2 HIS 64 HB2 HIS 64 8.022 26.394 26.045 469 HB3 HIS 64 HB1 HIS 64 8.420 25.579 24.533 470 HD2 HIS 64 HD2 HIS 64 6.659 28.555 24.824 471 HE1 HIS 64 HE1 HIS 64 3.667 26.229 22.964 472 HE2 HIS 64 HE2 HIS 64 4.404 28.597 23.508 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 42.146 -47.593 14.562 2 H2 MET 1 HT2 MET 1 40.972 -48.404 15.486 3 H3 MET 1 HT3 MET 1 42.556 -48.236 16.077 4 HA MET 1 HA MET 1 40.360 -46.486 16.365 5 HB2 MET 1 HB2 MET 1 43.240 -46.318 17.308 6 HB3 MET 1 HB1 MET 1 41.871 -45.440 17.993 7 HG2 MET 1 HG2 MET 1 42.072 -48.462 17.871 8 HG3 MET 1 HG1 MET 1 42.458 -47.494 19.294 9 HE1 MET 1 HE1 MET 1 39.560 -49.787 18.342 10 HE2 MET 1 HE2 MET 1 39.227 -49.402 20.029 11 HE3 MET 1 HE3 MET 1 40.886 -49.676 19.506 12 H GLU 2 HN GLU 2 41.804 -44.062 16.795 13 HA GLU 2 HA GLU 2 42.668 -43.277 14.092 14 HB2 GLU 2 HB2 GLU 2 40.693 -41.663 15.715 15 HB3 GLU 2 HB1 GLU 2 41.226 -41.359 14.061 16 HG2 GLU 2 HG2 GLU 2 39.215 -42.440 13.655 17 HG3 GLU 2 HG1 GLU 2 40.319 -43.815 13.662 18 H GLU 3 HN GLU 3 44.778 -43.291 15.093 19 HA GLU 3 HA GLU 3 45.241 -41.172 17.081 20 HB2 GLU 3 HB2 GLU 3 46.976 -43.455 16.117 21 HB3 GLU 3 HB1 GLU 3 47.521 -42.213 17.246 22 HG2 GLU 3 HG2 GLU 3 46.419 -43.161 18.972 23 HG3 GLU 3 HG1 GLU 3 44.947 -43.352 18.022 24 H GLY 4 HN GLY 4 44.598 -40.288 14.519 25 HA2 GLY 4 HA2 GLY 4 46.254 -38.295 13.902 26 HA3 GLY 4 HA1 GLY 4 47.091 -39.647 13.142 27 H GLY 5 HN GLY 5 45.034 -41.157 12.162 28 HA2 GLY 5 HA2 GLY 5 43.506 -41.339 10.446 29 HA3 GLY 5 HA1 GLY 5 43.050 -39.668 10.761 30 H ASP 6 HN ASP 6 44.774 -41.790 8.711 31 HA ASP 6 HA ASP 6 45.484 -39.538 6.970 32 HB2 ASP 6 HB2 ASP 6 47.494 -40.150 8.361 33 HB3 ASP 6 HB1 ASP 6 47.452 -41.742 7.607 34 H PHE 7 HN PHE 7 43.760 -40.253 5.651 35 HA PHE 7 HA PHE 7 44.471 -42.553 3.971 36 HB2 PHE 7 HB2 PHE 7 41.702 -42.163 5.132 37 HB3 PHE 7 HB1 PHE 7 42.215 -43.455 4.046 38 HD1 PHE 7 HD1 PHE 7 44.193 -44.944 4.835 39 HD2 PHE 7 HD2 PHE 7 41.893 -42.438 7.458 40 HE1 PHE 7 HE1 PHE 7 44.954 -46.282 6.780 41 HE2 PHE 7 HE2 PHE 7 42.654 -43.776 9.403 42 HZ PHE 7 HZ PHE 7 44.185 -45.697 9.064 43 H ASP 8 HN ASP 8 44.863 -39.933 3.285 44 HA ASP 8 HA ASP 8 44.339 -38.307 1.741 45 HB2 ASP 8 HB2 ASP 8 44.524 -40.591 0.442 46 HB3 ASP 8 HB1 ASP 8 42.792 -40.359 0.206 47 H ASN 9 HN ASN 9 42.559 -38.422 3.919 48 HA ASN 9 HA ASN 9 40.126 -37.385 2.626 49 HB2 ASN 9 HB2 ASN 9 39.892 -39.800 3.545 50 HB3 ASN 9 HB1 ASN 9 39.931 -39.034 5.133 51 HD21 ASN 9 HD21 ASN 9 37.681 -40.308 3.304 52 HD22 ASN 9 HD22 ASN 9 36.428 -39.171 3.431 53 H TYR 10 HN TYR 10 42.224 -35.837 3.549 54 HA TYR 10 HA TYR 10 42.094 -34.998 6.218 55 HB2 TYR 10 HB2 TYR 10 42.696 -33.260 3.814 56 HB3 TYR 10 HB1 TYR 10 43.211 -32.983 5.478 57 HD1 TYR 10 HD1 TYR 10 44.628 -34.850 6.600 58 HD2 TYR 10 HD2 TYR 10 44.053 -34.508 2.358 59 HE1 TYR 10 HE1 TYR 10 46.639 -36.250 6.216 60 HE2 TYR 10 HE2 TYR 10 46.064 -35.908 1.973 61 HH TYR 10 HH TYR 10 47.326 -37.868 3.857 62 H TYR 11 HN TYR 11 40.003 -34.800 6.979 63 HA TYR 11 HA TYR 11 37.843 -33.561 5.742 64 HB2 TYR 11 HB2 TYR 11 36.780 -33.892 7.715 65 HB3 TYR 11 HB1 TYR 11 38.243 -34.772 8.154 66 HD1 TYR 11 HD1 TYR 11 40.168 -33.435 9.233 67 HD2 TYR 11 HD2 TYR 11 36.148 -31.959 8.908 68 HE1 TYR 11 HE1 TYR 11 40.630 -31.782 11.023 69 HE2 TYR 11 HE2 TYR 11 36.610 -30.306 10.698 70 HH TYR 11 HH TYR 11 38.100 -29.894 12.477 71 H GLY 12 HN GLY 12 36.831 -31.496 6.970 72 HA2 GLY 12 HA2 GLY 12 38.037 -29.347 7.954 73 HA3 GLY 12 HA1 GLY 12 38.658 -29.311 6.307 74 H ALA 13 HN ALA 13 36.141 -28.365 8.329 75 HA ALA 13 HA ALA 13 33.985 -28.306 6.453 76 HB1 ALA 13 HB1 ALA 13 33.192 -26.466 8.175 77 HB2 ALA 13 HB2 ALA 13 34.519 -27.111 9.142 78 HB3 ALA 13 HB3 ALA 13 33.207 -28.171 8.626 79 H ASP 14 HN ASP 14 35.384 -27.422 4.669 80 HA ASP 14 HA ASP 14 36.484 -24.887 4.582 81 HB2 ASP 14 HB2 ASP 14 36.838 -26.222 2.684 82 HB3 ASP 14 HB1 ASP 14 35.119 -26.568 2.495 83 H ASN 15 HN ASN 15 35.206 -23.490 5.870 84 HA ASN 15 HA ASN 15 33.070 -22.194 4.372 85 HB2 ASN 15 HB2 ASN 15 32.620 -23.391 7.112 86 HB3 ASN 15 HB1 ASN 15 31.532 -22.241 6.339 87 HD21 ASN 15 HD21 ASN 15 31.479 -25.356 6.983 88 HD22 ASN 15 HD22 ASN 15 30.857 -26.003 5.542 89 H GLN 16 HN GLN 16 35.135 -22.326 7.227 90 HA GLN 16 HA GLN 16 34.659 -19.691 8.150 91 HB2 GLN 16 HB2 GLN 16 36.847 -19.979 9.330 92 HB3 GLN 16 HB1 GLN 16 35.723 -21.313 9.596 93 HG2 GLN 16 HG2 GLN 16 37.302 -21.799 7.223 94 HG3 GLN 16 HG1 GLN 16 38.356 -21.485 8.601 95 HE21 GLN 16 HE21 GLN 16 36.938 -24.008 7.027 96 HE22 GLN 16 HE22 GLN 16 36.723 -25.080 8.326 97 H SER 17 HN SER 17 34.630 -18.801 5.847 98 HA SER 17 HA SER 17 37.333 -18.147 4.884 99 HB2 SER 17 HB2 SER 17 35.255 -19.029 3.447 100 HB3 SER 17 HB1 SER 17 34.903 -17.305 3.388 101 HG SER 17 HG SER 17 36.393 -17.229 1.917 102 H GLU 18 HN GLU 18 36.531 -16.901 7.256 103 HA GLU 18 HA GLU 18 36.767 -14.130 6.479 104 HB2 GLU 18 HB2 GLU 18 34.170 -15.225 7.104 105 HB3 GLU 18 HB1 GLU 18 34.629 -14.014 8.301 106 HG2 GLU 18 HG2 GLU 18 35.124 -12.406 6.512 107 HG3 GLU 18 HG1 GLU 18 34.716 -13.615 5.296 108 H CYS 19 HN CYS 19 38.626 -14.001 7.676 109 HA CYS 19 HA CYS 19 38.363 -13.588 10.487 110 HB2 CYS 19 HB2 CYS 19 38.871 -16.264 9.680 111 HB3 CYS 19 HB1 CYS 19 40.364 -15.629 10.370 112 HG CYS 19 HG CYS 19 38.446 -16.602 12.156 113 H GLU 20 HN GLU 20 40.074 -12.429 11.296 114 HA GLU 20 HA GLU 20 42.009 -11.189 11.298 115 HB2 GLU 20 HB2 GLU 20 42.750 -13.662 10.273 116 HB3 GLU 20 HB1 GLU 20 43.366 -12.514 9.084 117 HG2 GLU 20 HG2 GLU 20 44.457 -11.231 10.900 118 HG3 GLU 20 HG1 GLU 20 43.869 -12.409 12.072 119 H TYR 21 HN TYR 21 39.778 -11.159 9.013 120 HA TYR 21 HA TYR 21 41.210 -9.365 7.163 121 HB2 TYR 21 HB2 TYR 21 40.074 -10.923 5.860 122 HB3 TYR 21 HB1 TYR 21 38.702 -10.998 6.965 123 HD1 TYR 21 HD2 TYR 21 40.317 -9.072 4.270 124 HD2 TYR 21 HD1 TYR 21 36.954 -9.299 6.932 125 HE1 TYR 21 HE2 TYR 21 39.139 -7.351 2.929 126 HE2 TYR 21 HE1 TYR 21 35.775 -7.579 5.590 127 HH TYR 21 HH TYR 21 35.902 -6.184 3.872 128 H THR 22 HN THR 22 38.896 -9.423 9.711 129 HA THR 22 HA THR 22 37.854 -6.766 9.042 130 HB THR 22 HB THR 22 37.169 -8.619 11.338 131 HG1 THR 22 HG1 THR 22 35.656 -8.020 9.028 132 HG21 THR 22 HG21 THR 22 35.092 -7.095 11.329 133 HG22 THR 22 HG22 THR 22 36.069 -5.981 10.372 134 HG23 THR 22 HG23 THR 22 36.579 -6.424 12.001 135 H ASP 23 HN ASP 23 40.011 -8.370 11.284 136 HA ASP 23 HA ASP 23 40.373 -5.885 12.807 137 HB2 ASP 23 HB2 ASP 23 41.714 -7.290 14.338 138 HB3 ASP 23 HB1 ASP 23 40.079 -7.912 14.124 139 H TRP 24 HN TRP 24 41.303 -6.223 10.036 140 HA TRP 24 HA TRP 24 44.034 -6.728 9.825 141 HB2 TRP 24 HB2 TRP 24 43.967 -5.230 7.837 142 HB3 TRP 24 HB1 TRP 24 42.693 -6.442 7.847 143 HD1 TRP 24 HD1 TRP 24 41.655 -3.934 10.285 144 HE1 TRP 24 HE1 TRP 24 40.015 -2.250 9.254 145 HE3 TRP 24 HE3 TRP 24 42.337 -4.965 5.328 146 HZ2 TRP 24 HZ2 TRP 24 39.106 -1.434 6.668 147 HZ3 TRP 24 HZ3 TRP 24 41.069 -3.717 3.604 148 HH2 TRP 24 HH2 TRP 24 39.455 -1.954 4.266 149 H LYS 25 HN LYS 25 43.730 -3.540 8.852 150 HA LYS 25 HA LYS 25 45.844 -2.595 10.432 151 HB2 LYS 25 HB2 LYS 25 44.884 -1.679 8.217 152 HB3 LYS 25 HB1 LYS 25 43.734 -0.809 9.227 153 HG2 LYS 25 HG2 LYS 25 45.563 0.308 10.409 154 HG3 LYS 25 HG1 LYS 25 46.752 -0.647 9.525 155 HD2 LYS 25 HD2 LYS 25 46.525 1.595 8.530 156 HD3 LYS 25 HD1 LYS 25 45.981 0.352 7.404 157 HE2 LYS 25 HE2 LYS 25 43.740 0.922 7.640 158 HE3 LYS 25 HE1 LYS 25 43.976 1.594 9.253 159 HZ1 LYS 25 HZ1 LYS 25 43.680 3.117 7.140 160 HZ2 LYS 25 HZ2 LYS 25 45.360 2.893 7.035 161 HZ3 LYS 25 HZ3 LYS 25 44.677 3.571 8.435 162 H SER 26 HN SER 26 43.860 -0.071 10.854 163 HA SER 26 HA SER 26 42.866 0.902 12.679 164 HB2 SER 26 HB2 SER 26 42.074 -1.859 13.582 165 HB3 SER 26 HB1 SER 26 41.216 -0.339 13.815 166 HG SER 26 HG SER 26 40.596 -1.932 12.026 167 H SER 27 HN SER 27 45.642 0.069 12.830 168 HA SER 27 HA SER 27 47.343 -0.116 14.361 169 HB2 SER 27 HB2 SER 27 45.736 1.804 15.295 170 HB3 SER 27 HB1 SER 27 45.534 0.642 16.602 171 HG SER 27 HG SER 27 47.471 2.298 16.373 172 H GLY 28 HN GLY 28 45.558 -2.413 13.890 173 HA2 GLY 28 HA2 GLY 28 45.739 -4.619 14.655 174 HA3 GLY 28 HA1 GLY 28 46.418 -4.017 16.164 175 H ALA 29 HN ALA 29 43.681 -2.267 15.320 176 HA ALA 29 HA ALA 29 41.603 -2.100 16.291 177 HB1 ALA 29 HB1 ALA 29 41.105 -3.944 14.790 178 HB2 ALA 29 HB2 ALA 29 40.291 -4.217 16.331 179 HB3 ALA 29 HB3 ALA 29 41.767 -5.102 15.944 180 H LEU 30 HN LEU 30 43.396 -1.701 18.176 181 HA LEU 30 HA LEU 30 42.356 -3.211 20.492 182 HB2 LEU 30 HB2 LEU 30 45.198 -2.708 19.704 183 HB3 LEU 30 HB1 LEU 30 44.782 -2.737 21.417 184 HG LEU 30 HG LEU 30 43.759 -4.933 19.656 185 HD11 LEU 30 HD11 LEU 30 46.112 -4.845 19.054 186 HD12 LEU 30 HD12 LEU 30 45.863 -6.205 20.148 187 HD13 LEU 30 HD13 LEU 30 46.578 -4.710 20.749 188 HD21 LEU 30 HD21 LEU 30 44.912 -5.234 22.406 189 HD22 LEU 30 HD22 LEU 30 43.558 -6.087 21.662 190 HD23 LEU 30 HD23 LEU 30 43.350 -4.431 22.234 191 H ILE 31 HN ILE 31 43.535 -0.241 19.103 192 HA ILE 31 HA ILE 31 43.334 1.231 21.588 193 HB ILE 31 HB ILE 31 44.441 1.674 18.937 194 HG12 ILE 31 HG12 ILE 31 45.611 1.622 21.177 195 HG13 ILE 31 HG11 ILE 31 46.008 3.007 20.165 196 HG21 ILE 31 HG21 ILE 31 42.633 3.251 18.579 197 HG22 ILE 31 HG22 ILE 31 44.099 4.155 18.944 198 HG23 ILE 31 HG23 ILE 31 42.865 3.955 20.183 199 HD11 ILE 31 HD11 ILE 31 45.134 4.475 21.650 200 HD12 ILE 31 HD12 ILE 31 45.172 3.140 22.799 201 HD13 ILE 31 HD13 ILE 31 43.693 3.493 21.910 202 HA PRO 32 HA PRO 32 39.513 2.956 19.020 203 HB2 PRO 32 HB2 PRO 32 38.617 0.369 17.865 204 HB3 PRO 32 HB1 PRO 32 38.631 1.986 17.138 205 HG2 PRO 32 HG2 PRO 32 40.376 0.108 16.407 206 HG3 PRO 32 HG1 PRO 32 40.821 1.823 16.482 207 HD2 PRO 32 HD2 PRO 32 41.497 -0.386 18.387 208 HD3 PRO 32 HD1 PRO 32 42.473 1.016 17.892 209 H ALA 33 HN ALA 33 39.688 -0.310 20.358 210 HA ALA 33 HA ALA 33 37.056 -0.390 21.428 211 HB1 ALA 33 HB1 ALA 33 38.072 -2.190 22.925 212 HB2 ALA 33 HB2 ALA 33 39.591 -1.894 22.078 213 HB3 ALA 33 HB3 ALA 33 38.181 -2.468 21.187 214 H ILE 34 HN ILE 34 40.072 0.973 22.529 215 HA ILE 34 HA ILE 34 39.160 1.368 25.251 216 HB ILE 34 HB ILE 34 41.590 2.383 23.760 217 HG12 ILE 34 HG12 ILE 34 41.401 0.322 25.971 218 HG13 ILE 34 HG11 ILE 34 41.337 -0.113 24.262 219 HG21 ILE 34 HG21 ILE 34 42.326 2.734 26.253 220 HG22 ILE 34 HG22 ILE 34 40.592 2.789 26.568 221 HG23 ILE 34 HG23 ILE 34 41.325 3.958 25.471 222 HD11 ILE 34 HD11 ILE 34 43.652 -0.089 25.530 223 HD12 ILE 34 HD12 ILE 34 43.563 1.647 25.233 224 HD13 ILE 34 HD13 ILE 34 43.544 0.518 23.878 225 H TYR 35 HN TYR 35 39.055 3.062 22.243 226 HA TYR 35 HA TYR 35 38.870 5.721 23.094 227 HB2 TYR 35 HB2 TYR 35 38.725 4.440 20.680 228 HB3 TYR 35 HB1 TYR 35 37.062 4.984 20.895 229 HD1 TYR 35 HD2 TYR 35 36.555 7.394 21.218 230 HD2 TYR 35 HD1 TYR 35 40.527 6.009 20.348 231 HE1 TYR 35 HE2 TYR 35 37.228 9.704 20.614 232 HE2 TYR 35 HE1 TYR 35 41.201 8.319 19.745 233 HH TYR 35 HH TYR 35 38.983 10.793 19.190 234 H MET 36 HN MET 36 36.486 3.140 23.054 235 HA MET 36 HA MET 36 34.255 4.840 23.682 236 HB2 MET 36 HB2 MET 36 34.629 1.841 23.850 237 HB3 MET 36 HB1 MET 36 33.098 2.668 24.143 238 HG2 MET 36 HG2 MET 36 34.222 3.636 21.685 239 HG3 MET 36 HG1 MET 36 34.190 1.874 21.647 240 HE1 MET 36 HE1 MET 36 30.890 4.665 20.795 241 HE2 MET 36 HE2 MET 36 32.562 4.518 20.257 242 HE3 MET 36 HE3 MET 36 32.213 5.177 21.853 243 H LEU 37 HN LEU 37 36.425 2.730 25.524 244 HA LEU 37 HA LEU 37 35.145 2.877 28.007 245 HB2 LEU 37 HB2 LEU 37 38.136 2.776 27.560 246 HB3 LEU 37 HB1 LEU 37 37.245 2.188 28.965 247 HG LEU 37 HG LEU 37 36.999 1.116 26.137 248 HD11 LEU 37 HD11 LEU 37 39.108 0.571 27.472 249 HD12 LEU 37 HD12 LEU 37 38.162 -0.817 26.931 250 HD13 LEU 37 HD13 LEU 37 38.057 -0.277 28.607 251 HD21 LEU 37 HD21 LEU 37 35.742 -0.717 27.557 252 HD22 LEU 37 HD22 LEU 37 34.886 0.744 27.063 253 HD23 LEU 37 HD23 LEU 37 35.519 0.606 28.703 254 H VAL 38 HN VAL 38 36.311 5.391 26.208 255 HA VAL 38 HA VAL 38 36.741 7.075 28.604 256 HB VAL 38 HB VAL 38 37.957 7.372 25.847 257 HG11 VAL 38 HG11 VAL 38 37.761 9.156 28.229 258 HG12 VAL 38 HG12 VAL 38 37.838 9.573 26.517 259 HG13 VAL 38 HG13 VAL 38 39.305 9.112 27.380 260 HG21 VAL 38 HG21 VAL 38 39.221 6.757 28.537 261 HG22 VAL 38 HG22 VAL 38 40.068 6.900 26.997 262 HG23 VAL 38 HG23 VAL 38 38.940 5.571 27.262 263 H PHE 39 HN PHE 39 34.646 6.343 26.166 264 HA PHE 39 HA PHE 39 33.620 9.110 25.966 265 HB2 PHE 39 HB2 PHE 39 34.283 7.824 23.845 266 HB3 PHE 39 HB1 PHE 39 32.858 6.829 24.150 267 HD1 PHE 39 HD2 PHE 39 33.928 10.405 23.843 268 HD2 PHE 39 HD1 PHE 39 30.748 7.549 23.419 269 HE1 PHE 39 HE2 PHE 39 32.488 12.157 22.837 270 HE2 PHE 39 HE1 PHE 39 29.309 9.300 22.413 271 HZ PHE 39 HZ PHE 39 30.180 11.604 22.122 272 H LEU 40 HN LEU 40 33.181 6.612 27.891 273 HA LEU 40 HA LEU 40 30.334 7.184 28.233 274 HB2 LEU 40 HB2 LEU 40 29.768 4.778 28.404 275 HB3 LEU 40 HB1 LEU 40 30.297 5.229 26.784 276 HG LEU 40 HG LEU 40 32.675 4.549 28.006 277 HD11 LEU 40 HD11 LEU 40 31.335 3.709 29.964 278 HD12 LEU 40 HD12 LEU 40 32.317 2.465 29.191 279 HD13 LEU 40 HD13 LEU 40 30.582 2.538 28.880 280 HD21 LEU 40 HD21 LEU 40 31.923 3.898 25.750 281 HD22 LEU 40 HD22 LEU 40 30.775 2.761 26.457 282 HD23 LEU 40 HD23 LEU 40 32.509 2.493 26.640 283 H LEU 41 HN LEU 41 33.316 5.744 29.417 284 HA LEU 41 HA LEU 41 32.721 4.827 31.897 285 HB2 LEU 41 HB2 LEU 41 35.038 6.139 30.683 286 HB3 LEU 41 HB1 LEU 41 34.951 6.363 32.430 287 HG LEU 41 HG LEU 41 34.715 3.939 32.745 288 HD11 LEU 41 HD11 LEU 41 35.427 2.799 30.332 289 HD12 LEU 41 HD12 LEU 41 34.295 4.061 29.845 290 HD13 LEU 41 HD13 LEU 41 33.796 2.826 31.001 291 HD21 LEU 41 HD21 LEU 41 37.021 5.268 31.592 292 HD22 LEU 41 HD22 LEU 41 37.010 3.559 31.160 293 HD23 LEU 41 HD23 LEU 41 36.967 4.040 32.856 294 H GLY 42 HN GLY 42 32.912 8.229 30.937 295 HA2 GLY 42 HA2 GLY 42 31.013 9.137 32.775 296 HA3 GLY 42 HA1 GLY 42 32.596 9.346 33.519 297 H THR 43 HN THR 43 31.438 9.726 30.166 298 HA THR 43 HA THR 43 32.719 12.379 30.108 299 HB THR 43 HB THR 43 33.175 10.446 28.389 300 HG1 THR 43 HG1 THR 43 32.906 12.429 26.765 301 HG21 THR 43 HG21 THR 43 31.672 10.257 26.594 302 HG22 THR 43 HG22 THR 43 30.844 11.758 27.009 303 HG23 THR 43 HG23 THR 43 30.608 10.317 27.999 304 H THR 44 HN THR 44 29.694 10.875 30.316 305 HA THR 44 HA THR 44 28.358 13.434 29.725 306 HB THR 44 HB THR 44 26.442 11.875 28.831 307 HG1 THR 44 HG1 THR 44 28.798 10.334 28.596 308 HG21 THR 44 HG21 THR 44 27.841 11.881 26.546 309 HG22 THR 44 HG22 THR 44 28.881 12.944 27.494 310 HG23 THR 44 HG23 THR 44 27.187 13.363 27.244 311 H GLY 45 HN GLY 45 28.156 10.220 31.205 312 HA2 GLY 45 HA2 GLY 45 27.419 10.903 33.727 313 HA3 GLY 45 HA1 GLY 45 25.891 10.926 32.853 314 H ASN 46 HN ASN 46 25.792 8.878 31.268 315 HA ASN 46 HA ASN 46 25.318 6.626 31.241 316 HB2 ASN 46 HB2 ASN 46 28.097 6.993 31.590 317 HB3 ASN 46 HB1 ASN 46 27.631 5.667 32.654 318 HD21 ASN 46 HD21 ASN 46 26.748 6.746 29.313 319 HD22 ASN 46 HD22 ASN 46 26.866 5.194 28.636 320 H GLY 47 HN GLY 47 23.609 6.245 32.560 321 HA2 GLY 47 HA2 GLY 47 23.553 4.620 34.664 322 HA3 GLY 47 HA1 GLY 47 23.975 6.135 35.457 323 H LEU 48 HN LEU 48 22.507 8.035 34.474 324 HA LEU 48 HA LEU 48 19.723 7.115 34.251 325 HB2 LEU 48 HB2 LEU 48 20.455 7.720 36.679 326 HB3 LEU 48 HB1 LEU 48 20.383 9.386 36.101 327 HG LEU 48 HG LEU 48 18.035 8.562 35.137 328 HD11 LEU 48 HD11 LEU 48 18.242 6.942 37.678 329 HD12 LEU 48 HD12 LEU 48 18.576 6.229 36.100 330 HD13 LEU 48 HD13 LEU 48 16.979 6.892 36.448 331 HD21 LEU 48 HD21 LEU 48 17.034 9.328 37.352 332 HD22 LEU 48 HD22 LEU 48 18.208 10.432 36.635 333 HD23 LEU 48 HD23 LEU 48 18.681 9.392 37.978 334 H VAL 49 HN VAL 49 22.232 9.163 33.324 335 HA VAL 49 HA VAL 49 20.725 11.444 32.488 336 HB VAL 49 HB VAL 49 23.413 10.442 31.518 337 HG11 VAL 49 HG11 VAL 49 23.650 12.976 31.066 338 HG12 VAL 49 HG12 VAL 49 21.892 13.030 31.198 339 HG13 VAL 49 HG13 VAL 49 22.653 12.045 29.948 340 HG21 VAL 49 HG21 VAL 49 23.739 10.823 33.802 341 HG22 VAL 49 HG22 VAL 49 22.514 12.091 33.867 342 HG23 VAL 49 HG23 VAL 49 24.082 12.417 33.129 343 H LEU 50 HN LEU 50 20.975 8.283 31.306 344 HA LEU 50 HA LEU 50 20.388 9.032 28.534 345 HB2 LEU 50 HB2 LEU 50 20.495 6.220 29.605 346 HB3 LEU 50 HB1 LEU 50 20.812 6.791 27.966 347 HG LEU 50 HG LEU 50 22.531 7.254 30.418 348 HD11 LEU 50 HD11 LEU 50 24.086 5.821 29.409 349 HD12 LEU 50 HD12 LEU 50 23.382 6.026 27.806 350 HD13 LEU 50 HD13 LEU 50 22.553 5.044 29.013 351 HD21 LEU 50 HD21 LEU 50 22.513 8.510 27.683 352 HD22 LEU 50 HD22 LEU 50 24.039 8.302 28.543 353 HD23 LEU 50 HD23 LEU 50 22.751 9.277 29.252 354 H TRP 51 HN TRP 51 18.849 7.747 31.398 355 HA TRP 51 HA TRP 51 16.490 6.756 30.167 356 HB2 TRP 51 HB2 TRP 51 16.256 6.005 32.265 357 HB3 TRP 51 HB1 TRP 51 17.508 7.106 32.842 358 HD1 TRP 51 HD1 TRP 51 16.693 9.637 33.466 359 HE1 TRP 51 HE1 TRP 51 14.439 10.454 34.415 360 HE3 TRP 51 HE3 TRP 51 13.751 5.616 32.344 361 HZ2 TRP 51 HZ2 TRP 51 11.745 9.525 34.665 362 HZ3 TRP 51 HZ3 TRP 51 11.348 5.608 32.948 363 HH2 TRP 51 HH2 TRP 51 10.342 7.556 34.106 364 H THR 52 HN THR 52 17.660 9.881 30.451 365 HA THR 52 HA THR 52 14.994 11.112 30.558 366 HB THR 52 HB THR 52 17.124 11.937 31.846 367 HG1 THR 52 HG1 THR 52 16.054 14.097 30.578 368 HG21 THR 52 HG21 THR 52 17.510 13.492 29.298 369 HG22 THR 52 HG22 THR 52 18.370 11.975 29.561 370 HG23 THR 52 HG23 THR 52 18.607 13.325 30.670 371 H VAL 53 HN VAL 53 17.581 10.355 28.371 372 HA VAL 53 HA VAL 53 16.813 12.193 26.301 373 HB VAL 53 HB VAL 53 18.600 9.763 26.368 374 HG11 VAL 53 HG11 VAL 53 17.716 11.483 24.052 375 HG12 VAL 53 HG12 VAL 53 17.802 9.724 24.143 376 HG13 VAL 53 HG13 VAL 53 19.284 10.675 24.041 377 HG21 VAL 53 HG21 VAL 53 19.442 11.799 27.460 378 HG22 VAL 53 HG22 VAL 53 19.090 12.738 26.009 379 HG23 VAL 53 HG23 VAL 53 20.339 11.493 25.974 380 H PHE 54 HN PHE 54 16.389 8.688 26.797 381 HA PHE 54 HA PHE 54 14.840 8.284 24.444 382 HB2 PHE 54 HB2 PHE 54 14.922 6.110 25.045 383 HB3 PHE 54 HB1 PHE 54 16.019 6.645 26.319 384 HD1 PHE 54 HD1 PHE 54 14.934 7.468 28.536 385 HD2 PHE 54 HD2 PHE 54 12.883 5.090 25.606 386 HE1 PHE 54 HE1 PHE 54 13.281 6.780 30.251 387 HE2 PHE 54 HE2 PHE 54 11.229 4.402 27.321 388 HZ PHE 54 HZ PHE 54 11.428 5.247 29.644 389 H ARG 55 HN ARG 55 14.131 9.722 27.442 390 HA ARG 55 HA ARG 55 11.307 9.092 27.460 391 HB2 ARG 55 HB2 ARG 55 12.738 9.562 29.517 392 HB3 ARG 55 HB1 ARG 55 12.698 11.257 29.037 393 HG2 ARG 55 HG2 ARG 55 10.846 11.187 30.421 394 HG3 ARG 55 HG1 ARG 55 10.093 10.807 28.874 395 HD2 ARG 55 HD2 ARG 55 10.785 8.318 29.611 396 HD3 ARG 55 HD1 ARG 55 10.621 9.036 31.210 397 HE ARG 55 HE ARG 55 8.492 8.564 29.285 398 HH11 ARG 55 HH21 ARG 55 9.578 10.183 32.143 399 HH12 ARG 55 HH22 ARG 55 7.983 10.460 32.758 400 HH21 ARG 55 HH11 ARG 55 6.397 8.921 30.088 401 HH22 ARG 55 HH12 ARG 55 6.182 9.745 31.595 402 H LYS 56 HN LYS 56 12.971 12.249 27.423 403 HA LYS 56 HA LYS 56 10.948 13.857 26.581 404 HB2 LYS 56 HB2 LYS 56 12.681 15.268 25.469 405 HB3 LYS 56 HB1 LYS 56 13.136 14.760 27.096 406 HG2 LYS 56 HG2 LYS 56 14.391 12.833 26.052 407 HG3 LYS 56 HG1 LYS 56 14.082 13.567 24.478 408 HD2 LYS 56 HD2 LYS 56 15.060 15.720 25.774 409 HD3 LYS 56 HD1 LYS 56 15.911 14.448 26.651 410 HE2 LYS 56 HE2 LYS 56 17.321 15.006 24.808 411 HE3 LYS 56 HE1 LYS 56 16.539 13.490 24.363 412 HZ1 LYS 56 HZ1 LYS 56 15.118 14.553 22.903 413 HZ2 LYS 56 HZ2 LYS 56 16.572 15.401 22.673 414 HZ3 LYS 56 HZ3 LYS 56 15.332 16.075 23.619 415 H LYS 57 HN LYS 57 12.926 11.745 24.545 416 HA LYS 57 HA LYS 57 11.565 12.582 22.121 417 HB2 LYS 57 HB2 LYS 57 13.720 10.581 22.760 418 HB3 LYS 57 HB1 LYS 57 12.930 10.587 21.183 419 HG2 LYS 57 HG2 LYS 57 13.910 12.549 20.550 420 HG3 LYS 57 HG1 LYS 57 13.817 13.236 22.171 421 HD2 LYS 57 HD2 LYS 57 16.164 12.807 21.479 422 HD3 LYS 57 HD1 LYS 57 15.708 11.857 22.895 423 HE2 LYS 57 HE2 LYS 57 15.784 9.871 21.757 424 HE3 LYS 57 HE1 LYS 57 15.207 10.592 20.254 425 HZ1 LYS 57 HZ1 LYS 57 17.890 10.166 21.156 426 HZ2 LYS 57 HZ2 LYS 57 17.625 11.769 20.661 427 HZ3 LYS 57 HZ3 LYS 57 17.314 10.485 19.594 428 H GLY 58 HN GLY 58 9.573 11.842 23.676 429 HA2 GLY 58 HA2 GLY 58 8.961 9.009 23.258 430 HA3 GLY 58 HA1 GLY 58 8.022 10.148 24.218 431 H HIS 59 HN HIS 59 9.039 9.649 20.831 432 HA HIS 59 HA HIS 59 6.827 11.103 19.749 433 HB2 HIS 59 HB2 HIS 59 8.954 9.313 18.614 434 HB3 HIS 59 HB1 HIS 59 7.590 9.810 17.613 435 HD2 HIS 59 HD2 HIS 59 11.001 11.089 18.115 436 HE1 HIS 59 HE1 HIS 59 8.698 14.617 17.836 437 HE2 HIS 59 HE2 HIS 59 11.056 13.677 17.772 438 H HIS 60 HN HIS 60 7.626 7.622 19.595 439 HA HIS 60 HA HIS 60 6.255 5.810 19.147 440 HB2 HIS 60 HB2 HIS 60 5.968 6.213 21.585 441 HB3 HIS 60 HB1 HIS 60 4.566 7.220 21.228 442 HD2 HIS 60 HD2 HIS 60 5.598 3.408 20.751 443 HE1 HIS 60 HE1 HIS 60 1.387 3.713 20.717 444 HE2 HIS 60 HE2 HIS 60 3.343 2.095 20.660 445 H HIS 61 HN HIS 61 5.871 7.838 17.251 446 HA HIS 61 HA HIS 61 2.989 8.167 16.917 447 HB2 HIS 61 HB2 HIS 61 5.383 9.472 15.918 448 HB3 HIS 61 HB1 HIS 61 4.263 9.086 14.612 449 HD2 HIS 61 HD2 HIS 61 4.304 11.253 17.916 450 HE1 HIS 61 HE1 HIS 61 0.896 12.310 15.658 451 HE2 HIS 61 HE2 HIS 61 2.275 12.883 17.713 452 H HIS 62 HN HIS 62 1.772 6.788 15.805 453 HA HIS 62 HA HIS 62 2.641 4.392 14.718 454 HB2 HIS 62 HB2 HIS 62 0.368 4.360 14.989 455 HB3 HIS 62 HB1 HIS 62 0.174 6.035 14.472 456 HD2 HIS 62 HD2 HIS 62 -0.824 6.221 11.909 457 HE1 HIS 62 HE1 HIS 62 0.340 2.407 10.523 458 HE2 HIS 62 HE2 HIS 62 -0.892 4.541 9.911 459 H HIS 63 HN HIS 63 2.250 7.539 13.158 460 HA HIS 63 HA HIS 63 2.448 6.979 10.501 461 HB2 HIS 63 HB2 HIS 63 2.829 9.241 12.082 462 HB3 HIS 63 HB1 HIS 63 4.344 9.071 11.196 463 HD2 HIS 63 HD2 HIS 63 0.557 9.799 10.457 464 HE1 HIS 63 HE1 HIS 63 2.694 10.171 6.834 465 HE2 HIS 63 HE2 HIS 63 0.437 10.515 7.950 466 H HIS 64 HN HIS 64 4.243 6.892 9.000 467 HA HIS 64 HA HIS 64 6.091 5.745 8.229 468 HB2 HIS 64 HB2 HIS 64 7.160 7.307 10.580 469 HB3 HIS 64 HB1 HIS 64 8.207 6.385 9.500 470 HD2 HIS 64 HD2 HIS 64 8.140 7.331 6.731 471 HE1 HIS 64 HE1 HIS 64 6.504 11.087 7.751 472 HE2 HIS 64 HE2 HIS 64 7.616 9.750 5.900 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 38.785 17.923 8.431 2 H2 MET 1 HT2 MET 1 38.510 17.868 6.755 3 H3 MET 1 HT3 MET 1 37.599 18.916 7.735 4 HA MET 1 HA MET 1 40.303 19.209 6.699 5 HB2 MET 1 HB2 MET 1 37.915 20.945 7.306 6 HB3 MET 1 HB1 MET 1 39.495 21.663 6.983 7 HG2 MET 1 HG2 MET 1 39.601 20.489 4.824 8 HG3 MET 1 HG1 MET 1 38.037 19.739 5.146 9 HE1 MET 1 HE1 MET 1 36.210 20.954 3.255 10 HE2 MET 1 HE2 MET 1 37.858 20.480 2.853 11 HE3 MET 1 HE3 MET 1 37.242 22.041 2.316 12 H GLU 2 HN GLU 2 39.243 18.379 9.616 13 HA GLU 2 HA GLU 2 39.848 18.801 11.806 14 HB2 GLU 2 HB2 GLU 2 42.504 19.434 10.503 15 HB3 GLU 2 HB1 GLU 2 42.237 18.857 12.147 16 HG2 GLU 2 HG2 GLU 2 40.906 17.023 10.471 17 HG3 GLU 2 HG1 GLU 2 42.464 17.328 9.704 18 H GLU 3 HN GLU 3 38.431 20.778 11.652 19 HA GLU 3 HA GLU 3 39.991 23.280 11.794 20 HB2 GLU 3 HB2 GLU 3 37.703 22.741 10.387 21 HB3 GLU 3 HB1 GLU 3 37.059 23.464 11.861 22 HG2 GLU 3 HG2 GLU 3 38.793 25.314 11.547 23 HG3 GLU 3 HG1 GLU 3 39.059 24.656 9.932 24 H GLY 4 HN GLY 4 38.010 24.723 13.209 25 HA2 GLY 4 HA2 GLY 4 38.385 23.593 15.914 26 HA3 GLY 4 HA1 GLY 4 38.254 25.311 15.548 27 H GLY 5 HN GLY 5 36.166 23.398 13.718 28 HA2 GLY 5 HA2 GLY 5 33.852 23.472 13.595 29 HA3 GLY 5 HA1 GLY 5 33.997 22.730 15.186 30 H ASP 6 HN ASP 6 32.097 23.746 15.928 31 HA ASP 6 HA ASP 6 30.798 25.434 16.806 32 HB2 ASP 6 HB2 ASP 6 32.884 25.267 18.317 33 HB3 ASP 6 HB1 ASP 6 33.394 26.765 17.540 34 H PHE 7 HN PHE 7 29.804 26.476 15.136 35 HA PHE 7 HA PHE 7 29.426 28.033 13.473 36 HB2 PHE 7 HB2 PHE 7 29.733 29.287 15.826 37 HB3 PHE 7 HB1 PHE 7 31.064 30.031 14.939 38 HD1 PHE 7 HD1 PHE 7 27.444 29.140 14.523 39 HD2 PHE 7 HD2 PHE 7 30.621 31.865 13.553 40 HE1 PHE 7 HE1 PHE 7 25.831 30.597 13.329 41 HE2 PHE 7 HE2 PHE 7 29.008 33.321 12.360 42 HZ PHE 7 HZ PHE 7 26.613 32.687 12.247 43 H ASP 8 HN ASP 8 31.003 30.274 12.736 44 HA ASP 8 HA ASP 8 32.655 30.844 11.255 45 HB2 ASP 8 HB2 ASP 8 33.963 30.024 13.359 46 HB3 ASP 8 HB1 ASP 8 34.359 28.635 12.348 47 H ASN 9 HN ASN 9 30.803 29.429 10.035 48 HA ASN 9 HA ASN 9 30.351 28.078 8.238 49 HB2 ASN 9 HB2 ASN 9 32.392 29.484 7.469 50 HB3 ASN 9 HB1 ASN 9 33.298 27.986 7.672 51 HD21 ASN 9 HD21 ASN 9 33.617 27.480 5.440 52 HD22 ASN 9 HD22 ASN 9 32.334 27.164 4.374 53 H TYR 10 HN TYR 10 30.362 26.674 10.519 54 HA TYR 10 HA TYR 10 32.052 24.621 11.048 55 HB2 TYR 10 HB2 TYR 10 29.766 25.131 12.095 56 HB3 TYR 10 HB1 TYR 10 29.087 24.121 10.818 57 HD1 TYR 10 HD2 TYR 10 29.615 21.720 10.689 58 HD2 TYR 10 HD1 TYR 10 31.124 24.180 13.870 59 HE1 TYR 10 HE2 TYR 10 30.213 19.686 11.977 60 HE2 TYR 10 HE1 TYR 10 31.724 22.146 15.158 61 HH TYR 10 HH TYR 10 31.909 19.920 15.093 62 H TYR 11 HN TYR 11 30.088 24.999 8.199 63 HA TYR 11 HA TYR 11 29.801 22.511 7.148 64 HB2 TYR 11 HB2 TYR 11 30.342 25.178 5.988 65 HB3 TYR 11 HB1 TYR 11 30.668 23.805 4.930 66 HD1 TYR 11 HD2 TYR 11 28.096 24.251 7.614 67 HD2 TYR 11 HD1 TYR 11 28.866 23.671 3.428 68 HE1 TYR 11 HE2 TYR 11 25.665 23.988 7.202 69 HE2 TYR 11 HE1 TYR 11 26.436 23.408 3.017 70 HH TYR 11 HH TYR 11 24.193 22.926 5.511 71 H GLY 12 HN GLY 12 31.081 20.854 6.629 72 HA2 GLY 12 HA2 GLY 12 33.876 21.330 5.884 73 HA3 GLY 12 HA1 GLY 12 33.578 20.317 7.294 74 H ALA 13 HN ALA 13 32.034 20.598 4.086 75 HA ALA 13 HA ALA 13 31.354 18.965 2.609 76 HB1 ALA 13 HB1 ALA 13 33.925 17.558 3.292 77 HB2 ALA 13 HB2 ALA 13 33.928 19.087 2.411 78 HB3 ALA 13 HB3 ALA 13 33.113 17.679 1.730 79 H ASP 14 HN ASP 14 30.220 18.585 5.098 80 HA ASP 14 HA ASP 14 30.614 15.977 6.159 81 HB2 ASP 14 HB2 ASP 14 28.217 16.428 7.065 82 HB3 ASP 14 HB1 ASP 14 29.544 17.442 7.628 83 H ASN 15 HN ASN 15 30.699 14.952 3.939 84 HA ASN 15 HA ASN 15 27.990 14.025 3.196 85 HB2 ASN 15 HB2 ASN 15 30.285 14.781 1.384 86 HB3 ASN 15 HB1 ASN 15 28.921 13.804 0.844 87 HD21 ASN 15 HD21 ASN 15 26.779 14.843 0.786 88 HD22 ASN 15 HD22 ASN 15 26.639 16.534 0.801 89 H GLN 16 HN GLN 16 31.035 13.238 4.330 90 HA GLN 16 HA GLN 16 31.317 10.653 3.084 91 HB2 GLN 16 HB2 GLN 16 33.142 10.334 4.703 92 HB3 GLN 16 HB1 GLN 16 33.282 11.889 3.883 93 HG2 GLN 16 HG2 GLN 16 31.909 12.810 5.897 94 HG3 GLN 16 HG1 GLN 16 32.398 11.320 6.704 95 HE21 GLN 16 HE21 GLN 16 33.657 14.312 5.230 96 HE22 GLN 16 HE22 GLN 16 35.186 14.222 5.963 97 H SER 17 HN SER 17 28.826 11.415 4.654 98 HA SER 17 HA SER 17 28.633 10.043 7.065 99 HB2 SER 17 HB2 SER 17 26.891 11.510 5.778 100 HB3 SER 17 HB1 SER 17 26.377 9.974 5.087 101 HG SER 17 HG SER 17 25.229 10.059 6.907 102 H GLU 18 HN GLU 18 26.816 8.078 6.994 103 HA GLU 18 HA GLU 18 26.818 5.764 6.925 104 HB2 GLU 18 HB2 GLU 18 25.770 6.647 4.720 105 HB3 GLU 18 HB1 GLU 18 27.264 6.086 3.970 106 HG2 GLU 18 HG2 GLU 18 26.862 3.846 5.087 107 HG3 GLU 18 HG1 GLU 18 25.265 4.440 5.537 108 H CYS 19 HN CYS 19 28.732 5.223 7.986 109 HA CYS 19 HA CYS 19 30.650 3.794 6.446 110 HB2 CYS 19 HB2 CYS 19 31.294 6.291 6.149 111 HB3 CYS 19 HB1 CYS 19 31.844 6.187 7.822 112 HG CYS 19 HG CYS 19 33.831 4.924 7.062 113 H GLU 20 HN GLU 20 29.039 3.069 8.551 114 HA GLU 20 HA GLU 20 31.047 2.419 10.592 115 HB2 GLU 20 HB2 GLU 20 28.973 2.741 12.234 116 HB3 GLU 20 HB1 GLU 20 30.067 4.071 11.853 117 HG2 GLU 20 HG2 GLU 20 28.561 5.045 10.338 118 HG3 GLU 20 HG1 GLU 20 27.654 3.548 10.131 119 H TYR 21 HN TYR 21 27.886 1.819 9.145 120 HA TYR 21 HA TYR 21 27.419 -0.652 10.501 121 HB2 TYR 21 HB2 TYR 21 25.566 0.621 9.590 122 HB3 TYR 21 HB1 TYR 21 26.244 0.506 7.967 123 HD1 TYR 21 HD2 TYR 21 25.264 -1.706 10.831 124 HD2 TYR 21 HD1 TYR 21 25.489 -1.205 6.573 125 HE1 TYR 21 HE2 TYR 21 24.116 -3.885 10.514 126 HE2 TYR 21 HE1 TYR 21 24.342 -3.382 6.254 127 HH TYR 21 HH TYR 21 22.992 -4.929 7.386 128 H THR 22 HN THR 22 29.876 -1.096 9.867 129 HA THR 22 HA THR 22 29.808 -3.319 8.074 130 HB THR 22 HB THR 22 31.334 -0.857 7.191 131 HG1 THR 22 HG1 THR 22 29.958 -1.504 5.261 132 HG21 THR 22 HG21 THR 22 31.705 -2.532 5.178 133 HG22 THR 22 HG22 THR 22 31.473 -3.750 6.432 134 HG23 THR 22 HG23 THR 22 32.774 -2.569 6.580 135 H ASP 23 HN ASP 23 31.656 -1.003 9.962 136 HA ASP 23 HA ASP 23 33.971 -2.723 10.189 137 HB2 ASP 23 HB2 ASP 23 34.995 -0.907 11.063 138 HB3 ASP 23 HB1 ASP 23 33.576 -0.029 10.492 139 H TRP 24 HN TRP 24 30.949 -2.403 11.753 140 HA TRP 24 HA TRP 24 31.563 -3.193 14.379 141 HB2 TRP 24 HB2 TRP 24 29.261 -3.619 14.639 142 HB3 TRP 24 HB1 TRP 24 29.326 -2.361 13.404 143 HD1 TRP 24 HD1 TRP 24 29.988 -3.950 10.855 144 HE1 TRP 24 HE1 TRP 24 28.326 -5.655 9.866 145 HE3 TRP 24 HE3 TRP 24 27.166 -4.937 14.995 146 HZ2 TRP 24 HZ2 TRP 24 26.095 -7.229 10.717 147 HZ3 TRP 24 HZ3 TRP 24 25.281 -6.542 14.878 148 HH2 TRP 24 HH2 TRP 24 24.742 -7.687 12.747 149 H LYS 25 HN LYS 25 31.709 -5.179 15.378 150 HA LYS 25 HA LYS 25 32.534 -7.342 15.495 151 HB2 LYS 25 HB2 LYS 25 29.997 -7.508 15.238 152 HB3 LYS 25 HB1 LYS 25 30.300 -7.927 13.552 153 HG2 LYS 25 HG2 LYS 25 32.071 -9.566 14.881 154 HG3 LYS 25 HG1 LYS 25 30.691 -9.540 15.979 155 HD2 LYS 25 HD2 LYS 25 30.601 -10.213 13.023 156 HD3 LYS 25 HD1 LYS 25 30.430 -11.358 14.355 157 HE2 LYS 25 HE2 LYS 25 28.208 -10.967 14.223 158 HE3 LYS 25 HE1 LYS 25 28.554 -9.399 14.952 159 HZ1 LYS 25 HZ1 LYS 25 28.001 -10.076 12.167 160 HZ2 LYS 25 HZ2 LYS 25 29.127 -8.836 12.452 161 HZ3 LYS 25 HZ3 LYS 25 27.547 -8.708 13.061 162 H SER 26 HN SER 26 34.244 -6.137 13.911 163 HA SER 26 HA SER 26 34.972 -8.183 12.001 164 HB2 SER 26 HB2 SER 26 34.646 -7.071 10.040 165 HB3 SER 26 HB1 SER 26 33.381 -6.263 10.959 166 HG SER 26 HG SER 26 35.806 -5.326 10.048 167 H SER 27 HN SER 27 35.985 -6.841 14.457 168 HA SER 27 HA SER 27 38.027 -6.217 15.307 169 HB2 SER 27 HB2 SER 27 39.287 -6.561 12.609 170 HB3 SER 27 HB1 SER 27 39.946 -6.925 14.202 171 HG SER 27 HG SER 27 37.684 -8.268 13.165 172 H GLY 28 HN GLY 28 36.356 -4.565 13.020 173 HA2 GLY 28 HA2 GLY 28 38.118 -2.511 12.207 174 HA3 GLY 28 HA1 GLY 28 36.361 -2.390 12.268 175 H ALA 29 HN ALA 29 37.361 -3.331 15.269 176 HA ALA 29 HA ALA 29 37.779 -0.577 16.240 177 HB1 ALA 29 HB1 ALA 29 35.349 -1.436 16.446 178 HB2 ALA 29 HB2 ALA 29 36.110 -0.748 17.880 179 HB3 ALA 29 HB3 ALA 29 35.986 -2.497 17.702 180 H LEU 30 HN LEU 30 39.975 -1.838 16.064 181 HA LEU 30 HA LEU 30 40.508 -3.662 18.245 182 HB2 LEU 30 HB2 LEU 30 42.130 -2.412 16.053 183 HB3 LEU 30 HB1 LEU 30 42.939 -3.195 17.411 184 HG LEU 30 HG LEU 30 40.699 -4.647 16.055 185 HD11 LEU 30 HD11 LEU 30 43.538 -4.450 15.001 186 HD12 LEU 30 HD12 LEU 30 42.087 -3.866 14.187 187 HD13 LEU 30 HD13 LEU 30 42.325 -5.597 14.434 188 HD21 LEU 30 HD21 LEU 30 41.697 -6.517 16.995 189 HD22 LEU 30 HD22 LEU 30 42.196 -5.291 18.162 190 HD23 LEU 30 HD23 LEU 30 43.318 -5.824 16.909 191 H ILE 31 HN ILE 31 41.699 -0.409 17.366 192 HA ILE 31 HA ILE 31 42.636 -0.020 20.097 193 HB ILE 31 HB ILE 31 43.275 1.073 17.480 194 HG12 ILE 31 HG12 ILE 31 44.770 -0.129 19.124 195 HG13 ILE 31 HG11 ILE 31 45.428 1.376 18.490 196 HG21 ILE 31 HG21 ILE 31 42.124 3.091 18.177 197 HG22 ILE 31 HG22 ILE 31 43.858 3.363 18.307 198 HG23 ILE 31 HG23 ILE 31 42.912 3.052 19.758 199 HD11 ILE 31 HD11 ILE 31 45.230 0.715 21.172 200 HD12 ILE 31 HD12 ILE 31 43.840 1.769 20.930 201 HD13 ILE 31 HD13 ILE 31 45.459 2.343 20.536 202 HA PRO 32 HA PRO 32 39.265 3.498 19.488 203 HB2 PRO 32 HB2 PRO 32 37.283 1.916 17.948 204 HB3 PRO 32 HB1 PRO 32 37.760 3.613 17.764 205 HG2 PRO 32 HG2 PRO 32 38.507 1.742 16.013 206 HG3 PRO 32 HG1 PRO 32 39.556 3.106 16.438 207 HD2 PRO 32 HD2 PRO 32 39.731 0.248 17.312 208 HD3 PRO 32 HD1 PRO 32 41.036 1.405 16.967 209 H ALA 33 HN ALA 33 39.022 0.132 20.076 210 HA ALA 33 HA ALA 33 36.558 0.099 21.522 211 HB1 ALA 33 HB1 ALA 33 37.813 -2.032 22.528 212 HB2 ALA 33 HB2 ALA 33 38.847 -1.764 21.124 213 HB3 ALA 33 HB3 ALA 33 37.119 -2.039 20.907 214 H ILE 34 HN ILE 34 39.909 0.732 22.358 215 HA ILE 34 HA ILE 34 39.359 0.759 25.213 216 HB ILE 34 HB ILE 34 41.808 1.293 23.538 217 HG12 ILE 34 HG12 ILE 34 41.611 -0.618 25.836 218 HG13 ILE 34 HG11 ILE 34 40.810 -1.048 24.324 219 HG21 ILE 34 HG21 ILE 34 42.152 2.868 25.234 220 HG22 ILE 34 HG22 ILE 34 42.882 1.420 25.929 221 HG23 ILE 34 HG23 ILE 34 41.265 1.919 26.429 222 HD11 ILE 34 HD11 ILE 34 43.652 -0.070 24.283 223 HD12 ILE 34 HD12 ILE 34 42.816 -1.102 23.123 224 HD13 ILE 34 HD13 ILE 34 43.309 -1.751 24.686 225 H TYR 35 HN TYR 35 39.599 3.009 22.561 226 HA TYR 35 HA TYR 35 39.945 5.383 24.089 227 HB2 TYR 35 HB2 TYR 35 39.866 4.738 21.388 228 HB3 TYR 35 HB1 TYR 35 38.436 5.741 21.623 229 HD1 TYR 35 HD1 TYR 35 39.102 7.660 23.617 230 HD2 TYR 35 HD2 TYR 35 41.632 6.024 20.555 231 HE1 TYR 35 HE1 TYR 35 40.529 9.685 23.714 232 HE2 TYR 35 HE2 TYR 35 43.059 8.050 20.652 233 HH TYR 35 HH TYR 35 43.148 10.119 23.081 234 H MET 36 HN MET 36 37.112 3.597 22.960 235 HA MET 36 HA MET 36 35.208 5.558 23.818 236 HB2 MET 36 HB2 MET 36 34.899 2.617 23.173 237 HB3 MET 36 HB1 MET 36 33.558 3.724 23.469 238 HG2 MET 36 HG2 MET 36 33.827 4.808 21.465 239 HG3 MET 36 HG1 MET 36 35.577 4.584 21.460 240 HE1 MET 36 HE1 MET 36 34.246 4.216 18.729 241 HE2 MET 36 HE2 MET 36 35.098 2.749 18.252 242 HE3 MET 36 HE3 MET 36 35.933 3.974 19.203 243 H LEU 37 HN LEU 37 36.871 2.898 25.325 244 HA LEU 37 HA LEU 37 35.102 2.612 27.558 245 HB2 LEU 37 HB2 LEU 37 37.683 1.509 26.685 246 HB3 LEU 37 HB1 LEU 37 37.543 1.687 28.433 247 HG LEU 37 HG LEU 37 36.733 -0.533 27.562 248 HD11 LEU 37 HD11 LEU 37 35.481 1.242 29.417 249 HD12 LEU 37 HD12 LEU 37 35.481 -0.520 29.428 250 HD13 LEU 37 HD13 LEU 37 34.211 0.356 28.576 251 HD21 LEU 37 HD21 LEU 37 35.121 -0.694 25.964 252 HD22 LEU 37 HD22 LEU 37 35.584 0.962 25.573 253 HD23 LEU 37 HD23 LEU 37 34.200 0.658 26.623 254 H VAL 38 HN VAL 38 36.488 5.293 26.739 255 HA VAL 38 HA VAL 38 37.103 6.073 29.515 256 HB VAL 38 HB VAL 38 38.720 6.911 27.096 257 HG11 VAL 38 HG11 VAL 38 38.818 7.590 30.040 258 HG12 VAL 38 HG12 VAL 38 38.725 8.697 28.670 259 HG13 VAL 38 HG13 VAL 38 40.214 7.805 28.984 260 HG21 VAL 38 HG21 VAL 38 39.008 4.750 29.119 261 HG22 VAL 38 HG22 VAL 38 40.465 5.670 28.746 262 HG23 VAL 38 HG23 VAL 38 39.603 4.823 27.462 263 H PHE 39 HN PHE 39 35.526 6.646 26.568 264 HA PHE 39 HA PHE 39 35.126 9.499 27.040 265 HB2 PHE 39 HB2 PHE 39 34.754 7.640 24.803 266 HB3 PHE 39 HB1 PHE 39 33.430 8.790 24.990 267 HD1 PHE 39 HD1 PHE 39 34.049 11.284 25.286 268 HD2 PHE 39 HD2 PHE 39 36.783 8.313 23.817 269 HE1 PHE 39 HE1 PHE 39 35.459 13.069 24.298 270 HE2 PHE 39 HE2 PHE 39 38.192 10.100 22.830 271 HZ PHE 39 HZ PHE 39 37.530 12.477 23.070 272 H LEU 40 HN LEU 40 32.904 6.773 26.407 273 HA LEU 40 HA LEU 40 30.590 7.991 27.367 274 HB2 LEU 40 HB2 LEU 40 29.695 5.705 27.616 275 HB3 LEU 40 HB1 LEU 40 30.559 5.899 26.090 276 HG LEU 40 HG LEU 40 32.566 5.112 27.815 277 HD11 LEU 40 HD11 LEU 40 31.774 3.317 29.165 278 HD12 LEU 40 HD12 LEU 40 30.186 3.343 28.399 279 HD13 LEU 40 HD13 LEU 40 30.667 4.654 29.478 280 HD21 LEU 40 HD21 LEU 40 32.392 2.942 26.629 281 HD22 LEU 40 HD22 LEU 40 32.180 4.298 25.521 282 HD23 LEU 40 HD23 LEU 40 30.777 3.384 26.074 283 H LEU 41 HN LEU 41 33.130 6.266 29.094 284 HA LEU 41 HA LEU 41 31.917 5.863 31.559 285 HB2 LEU 41 HB2 LEU 41 34.597 5.897 30.517 286 HB3 LEU 41 HB1 LEU 41 34.564 6.704 32.086 287 HG LEU 41 HG LEU 41 33.329 3.989 31.546 288 HD11 LEU 41 HD11 LEU 41 35.605 3.517 31.397 289 HD12 LEU 41 HD12 LEU 41 35.342 3.365 33.135 290 HD13 LEU 41 HD13 LEU 41 36.054 4.839 32.476 291 HD21 LEU 41 HD21 LEU 41 34.025 4.573 34.284 292 HD22 LEU 41 HD22 LEU 41 32.439 4.204 33.606 293 HD23 LEU 41 HD23 LEU 41 33.014 5.870 33.644 294 H GLY 42 HN GLY 42 33.316 8.795 30.192 295 HA2 GLY 42 HA2 GLY 42 32.628 10.280 32.645 296 HA3 GLY 42 HA1 GLY 42 33.715 10.843 31.377 297 H THR 43 HN THR 43 31.076 9.371 29.970 298 HA THR 43 HA THR 43 29.472 11.841 29.893 299 HB THR 43 HB THR 43 30.052 10.309 27.369 300 HG1 THR 43 HG1 THR 43 31.539 12.368 28.604 301 HG21 THR 43 HG21 THR 43 29.603 13.233 27.427 302 HG22 THR 43 HG22 THR 43 28.234 12.249 27.944 303 HG23 THR 43 HG23 THR 43 28.937 12.012 26.344 304 H THR 44 HN THR 44 28.076 10.443 27.546 305 HA THR 44 HA THR 44 26.233 9.105 27.240 306 HB THR 44 HB THR 44 26.615 7.269 29.447 307 HG1 THR 44 HG1 THR 44 28.795 7.371 27.689 308 HG21 THR 44 HG21 THR 44 26.805 5.668 27.584 309 HG22 THR 44 HG22 THR 44 26.959 7.007 26.446 310 HG23 THR 44 HG23 THR 44 25.451 6.769 27.330 311 H GLY 45 HN GLY 45 26.762 10.944 29.908 312 HA2 GLY 45 HA2 GLY 45 24.409 11.839 30.604 313 HA3 GLY 45 HA1 GLY 45 24.263 10.215 31.269 314 H ASN 46 HN ASN 46 27.420 10.740 31.561 315 HA ASN 46 HA ASN 46 27.146 11.856 34.284 316 HB2 ASN 46 HB2 ASN 46 29.354 10.129 33.144 317 HB3 ASN 46 HB1 ASN 46 29.193 10.650 34.821 318 HD21 ASN 46 HD21 ASN 46 27.163 8.987 32.330 319 HD22 ASN 46 HD22 ASN 46 26.514 7.856 33.417 320 H GLY 47 HN GLY 47 27.179 14.029 33.320 321 HA2 GLY 47 HA2 GLY 47 29.594 15.345 33.612 322 HA3 GLY 47 HA1 GLY 47 29.463 14.980 31.894 323 H LEU 48 HN LEU 48 26.551 15.187 31.855 324 HA LEU 48 HA LEU 48 26.283 18.125 32.118 325 HB2 LEU 48 HB2 LEU 48 25.888 16.378 29.866 326 HB3 LEU 48 HB1 LEU 48 24.365 17.163 30.288 327 HG LEU 48 HG LEU 48 26.993 18.635 29.940 328 HD11 LEU 48 HD11 LEU 48 25.669 19.495 27.854 329 HD12 LEU 48 HD12 LEU 48 24.747 18.003 28.037 330 HD13 LEU 48 HD13 LEU 48 26.487 17.935 27.759 331 HD21 LEU 48 HD21 LEU 48 24.528 19.346 31.146 332 HD22 LEU 48 HD22 LEU 48 24.580 20.181 29.593 333 HD23 LEU 48 HD23 LEU 48 25.879 20.414 30.764 334 H VAL 49 HN VAL 49 25.025 15.047 32.975 335 HA VAL 49 HA VAL 49 22.333 15.833 33.522 336 HB VAL 49 HB VAL 49 23.985 13.535 34.597 337 HG11 VAL 49 HG11 VAL 49 21.142 14.391 34.989 338 HG12 VAL 49 HG12 VAL 49 22.248 13.627 36.130 339 HG13 VAL 49 HG13 VAL 49 21.488 12.666 34.862 340 HG21 VAL 49 HG21 VAL 49 23.629 13.541 32.137 341 HG22 VAL 49 HG22 VAL 49 21.891 13.678 32.402 342 HG23 VAL 49 HG23 VAL 49 22.750 12.226 32.917 343 H LEU 50 HN LEU 50 25.345 16.115 35.225 344 HA LEU 50 HA LEU 50 23.992 16.779 37.740 345 HB2 LEU 50 HB2 LEU 50 26.528 17.131 38.400 346 HB3 LEU 50 HB1 LEU 50 25.841 15.513 38.294 347 HG LEU 50 HG LEU 50 26.711 15.254 36.021 348 HD11 LEU 50 HD11 LEU 50 28.348 17.113 35.261 349 HD12 LEU 50 HD12 LEU 50 27.520 18.134 36.437 350 HD13 LEU 50 HD13 LEU 50 26.623 17.430 35.092 351 HD21 LEU 50 HD21 LEU 50 29.175 15.438 36.562 352 HD22 LEU 50 HD22 LEU 50 28.225 14.586 37.779 353 HD23 LEU 50 HD23 LEU 50 28.721 16.255 38.058 354 H TRP 51 HN TRP 51 24.684 18.341 34.961 355 HA TRP 51 HA TRP 51 25.672 20.826 36.124 356 HB2 TRP 51 HB2 TRP 51 26.592 20.628 34.025 357 HB3 TRP 51 HB1 TRP 51 25.191 19.780 33.373 358 HD1 TRP 51 HD1 TRP 51 23.025 21.281 32.768 359 HE1 TRP 51 HE1 TRP 51 22.849 23.753 32.054 360 HE3 TRP 51 HE3 TRP 51 27.602 22.963 34.282 361 HZ2 TRP 51 HZ2 TRP 51 24.441 26.129 32.118 362 HZ3 TRP 51 HZ3 TRP 51 28.246 25.332 33.944 363 HH2 TRP 51 HH2 TRP 51 26.673 26.915 32.864 364 H THR 52 HN THR 52 22.698 19.420 34.903 365 HA THR 52 HA THR 52 21.182 21.834 34.843 366 HB THR 52 HB THR 52 20.706 19.489 33.762 367 HG1 THR 52 HG1 THR 52 18.478 20.713 34.949 368 HG21 THR 52 HG21 THR 52 19.034 19.196 36.247 369 HG22 THR 52 HG22 THR 52 20.652 18.500 36.166 370 HG23 THR 52 HG23 THR 52 19.413 17.987 35.022 371 H VAL 53 HN VAL 53 22.377 19.933 37.374 372 HA VAL 53 HA VAL 53 20.245 20.464 39.259 373 HB VAL 53 HB VAL 53 23.005 19.266 39.522 374 HG11 VAL 53 HG11 VAL 53 22.008 18.658 41.871 375 HG12 VAL 53 HG12 VAL 53 20.994 20.076 41.606 376 HG13 VAL 53 HG13 VAL 53 22.750 20.241 41.634 377 HG21 VAL 53 HG21 VAL 53 20.184 18.172 39.763 378 HG22 VAL 53 HG22 VAL 53 21.647 17.245 40.088 379 HG23 VAL 53 HG23 VAL 53 21.325 17.841 38.460 380 H PHE 54 HN PHE 54 23.528 21.667 38.644 381 HA PHE 54 HA PHE 54 23.423 23.568 40.813 382 HB2 PHE 54 HB2 PHE 54 25.634 23.330 40.492 383 HB3 PHE 54 HB1 PHE 54 25.395 22.617 38.896 384 HD1 PHE 54 HD2 PHE 54 25.688 25.813 40.759 385 HD2 PHE 54 HD1 PHE 54 25.552 23.938 36.897 386 HE1 PHE 54 HE2 PHE 54 26.405 27.939 39.702 387 HE2 PHE 54 HE1 PHE 54 26.268 26.063 35.840 388 HZ PHE 54 HZ PHE 54 26.695 28.065 37.242 389 H ARG 55 HN ARG 55 22.207 23.459 37.653 390 HA ARG 55 HA ARG 55 22.286 26.349 37.247 391 HB2 ARG 55 HB2 ARG 55 22.641 25.038 35.270 392 HB3 ARG 55 HB1 ARG 55 21.219 24.052 35.595 393 HG2 ARG 55 HG2 ARG 55 20.893 25.822 33.818 394 HG3 ARG 55 HG1 ARG 55 19.738 25.903 35.145 395 HD2 ARG 55 HD2 ARG 55 20.834 28.113 34.387 396 HD3 ARG 55 HD1 ARG 55 20.809 27.773 36.115 397 HE ARG 55 HE ARG 55 23.132 27.502 36.056 398 HH11 ARG 55 HH21 ARG 55 21.767 27.708 32.883 399 HH12 ARG 55 HH22 ARG 55 23.296 27.876 32.087 400 HH21 ARG 55 HH11 ARG 55 25.141 27.720 35.018 401 HH22 ARG 55 HH12 ARG 55 25.206 27.883 33.295 402 H LYS 56 HN LYS 56 19.709 23.871 37.220 403 HA LYS 56 HA LYS 56 17.508 25.508 37.354 404 HB2 LYS 56 HB2 LYS 56 16.286 23.647 38.049 405 HB3 LYS 56 HB1 LYS 56 17.695 22.906 37.289 406 HG2 LYS 56 HG2 LYS 56 18.749 23.006 39.666 407 HG3 LYS 56 HG1 LYS 56 17.088 23.222 40.223 408 HD2 LYS 56 HD2 LYS 56 18.069 20.927 38.497 409 HD3 LYS 56 HD1 LYS 56 17.739 20.832 40.227 410 HE2 LYS 56 HE2 LYS 56 15.382 21.691 39.647 411 HE3 LYS 56 HE1 LYS 56 15.781 21.292 37.975 412 HZ1 LYS 56 HZ1 LYS 56 15.192 19.547 40.194 413 HZ2 LYS 56 HZ2 LYS 56 16.553 19.079 39.290 414 HZ3 LYS 56 HZ3 LYS 56 15.047 19.271 38.527 415 H LYS 57 HN LYS 57 19.819 24.803 39.863 416 HA LYS 57 HA LYS 57 18.152 26.041 41.924 417 HB2 LYS 57 HB2 LYS 57 20.812 24.622 41.953 418 HB3 LYS 57 HB1 LYS 57 20.233 25.529 43.351 419 HG2 LYS 57 HG2 LYS 57 18.248 24.158 43.505 420 HG3 LYS 57 HG1 LYS 57 18.631 23.351 41.984 421 HD2 LYS 57 HD2 LYS 57 20.500 22.226 42.923 422 HD3 LYS 57 HD1 LYS 57 20.520 23.278 44.339 423 HE2 LYS 57 HE2 LYS 57 18.506 22.309 45.200 424 HE3 LYS 57 HE1 LYS 57 18.191 21.459 43.687 425 HZ1 LYS 57 HZ1 LYS 57 19.157 19.787 44.836 426 HZ2 LYS 57 HZ2 LYS 57 20.073 20.823 45.822 427 HZ3 LYS 57 HZ3 LYS 57 20.575 20.495 44.233 428 H GLY 58 HN GLY 58 18.923 27.706 39.758 429 HA2 GLY 58 HA2 GLY 58 19.808 29.787 39.333 430 HA3 GLY 58 HA1 GLY 58 19.785 30.008 41.080 431 H HIS 59 HN HIS 59 21.633 29.202 42.308 432 HA HIS 59 HA HIS 59 24.102 28.894 40.725 433 HB2 HIS 59 HB2 HIS 59 23.394 31.090 42.548 434 HB3 HIS 59 HB1 HIS 59 24.962 30.351 42.877 435 HD2 HIS 59 HD2 HIS 59 23.188 31.603 39.514 436 HE1 HIS 59 HE1 HIS 59 27.295 32.576 39.394 437 HE2 HIS 59 HE2 HIS 59 25.097 32.727 38.131 438 H HIS 60 HN HIS 60 23.685 29.366 44.198 439 HA HIS 60 HA HIS 60 24.205 26.527 44.672 440 HB2 HIS 60 HB2 HIS 60 26.327 28.118 44.675 441 HB3 HIS 60 HB1 HIS 60 25.749 28.491 46.301 442 HD2 HIS 60 HD2 HIS 60 25.926 24.925 44.512 443 HE1 HIS 60 HE1 HIS 60 27.886 24.719 48.245 444 HE2 HIS 60 HE2 HIS 60 27.174 23.381 46.208 445 H HIS 61 HN HIS 61 24.797 27.216 47.512 446 HA HIS 61 HA HIS 61 22.003 27.561 48.361 447 HB2 HIS 61 HB2 HIS 61 24.432 26.316 49.622 448 HB3 HIS 61 HB1 HIS 61 23.044 26.778 50.606 449 HD2 HIS 61 HD2 HIS 61 23.320 24.725 47.182 450 HE1 HIS 61 HE1 HIS 61 20.553 22.830 49.747 451 HE2 HIS 61 HE2 HIS 61 21.670 22.722 47.468 452 H HIS 62 HN HIS 62 25.042 28.308 50.041 453 HA HIS 62 HA HIS 62 24.110 30.472 51.493 454 HB2 HIS 62 HB2 HIS 62 26.393 29.220 51.587 455 HB3 HIS 62 HB1 HIS 62 26.920 30.446 50.434 456 HD2 HIS 62 HD2 HIS 62 24.941 30.713 53.901 457 HE1 HIS 62 HE1 HIS 62 27.845 33.769 53.692 458 HE2 HIS 62 HE2 HIS 62 26.010 32.757 55.125 459 H HIS 63 HN HIS 63 25.777 30.526 48.342 460 HA HIS 63 HA HIS 63 25.850 33.260 47.909 461 HB2 HIS 63 HB2 HIS 63 26.706 31.254 46.455 462 HB3 HIS 63 HB1 HIS 63 25.142 31.415 45.654 463 HD2 HIS 63 HD2 HIS 63 28.312 32.524 44.546 464 HE1 HIS 63 HE1 HIS 63 26.166 36.155 44.378 465 HE2 HIS 63 HE2 HIS 63 28.264 34.957 43.600 466 H HIS 64 HN HIS 64 24.066 34.405 48.574 467 HA HIS 64 HA HIS 64 21.927 35.252 48.549 468 HB2 HIS 64 HB2 HIS 64 22.126 34.379 45.656 469 HB3 HIS 64 HB1 HIS 64 20.946 35.518 46.303 470 HD2 HIS 64 HD2 HIS 64 22.237 37.566 44.677 471 HE1 HIS 64 HE1 HIS 64 25.686 37.754 47.105 472 HE2 HIS 64 HE2 HIS 64 24.411 38.901 45.233 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 42.533 2.330 42.997 2 H2 MET 1 HT2 MET 1 42.660 0.637 42.897 3 H3 MET 1 HT3 MET 1 43.853 1.625 42.198 4 HA MET 1 HA MET 1 44.263 0.496 44.495 5 HB2 MET 1 HB2 MET 1 45.620 2.574 45.116 6 HB3 MET 1 HB1 MET 1 45.925 1.902 43.515 7 HG2 MET 1 HG2 MET 1 44.465 3.558 42.489 8 HG3 MET 1 HG1 MET 1 44.007 4.181 44.074 9 HE1 MET 1 HE1 MET 1 44.588 6.466 44.090 10 HE2 MET 1 HE2 MET 1 44.820 6.401 42.345 11 HE3 MET 1 HE3 MET 1 46.011 7.218 43.355 12 H GLU 2 HN GLU 2 41.623 2.485 44.096 13 HA GLU 2 HA GLU 2 40.088 3.432 45.523 14 HB2 GLU 2 HB2 GLU 2 41.314 1.391 47.392 15 HB3 GLU 2 HB1 GLU 2 39.828 2.283 47.719 16 HG2 GLU 2 HG2 GLU 2 40.236 0.591 45.241 17 HG3 GLU 2 HG1 GLU 2 39.486 -0.019 46.715 18 H GLU 3 HN GLU 3 40.545 5.514 45.935 19 HA GLU 3 HA GLU 3 42.752 6.190 47.744 20 HB2 GLU 3 HB2 GLU 3 42.082 7.341 45.433 21 HB3 GLU 3 HB1 GLU 3 41.042 8.287 46.499 22 HG2 GLU 3 HG2 GLU 3 43.168 8.548 47.972 23 HG3 GLU 3 HG1 GLU 3 44.045 8.050 46.526 24 H GLY 4 HN GLY 4 40.615 4.900 48.990 25 HA2 GLY 4 HA2 GLY 4 39.824 5.394 51.206 26 HA3 GLY 4 HA1 GLY 4 39.608 7.072 50.714 27 H GLY 5 HN GLY 5 38.620 4.243 48.855 28 HA2 GLY 5 HA2 GLY 5 35.998 5.253 48.413 29 HA3 GLY 5 HA1 GLY 5 36.564 3.635 48.009 30 H ASP 6 HN ASP 6 34.089 4.834 49.410 31 HA ASP 6 HA ASP 6 33.900 2.726 51.417 32 HB2 ASP 6 HB2 ASP 6 34.630 5.244 52.262 33 HB3 ASP 6 HB1 ASP 6 32.879 5.268 52.457 34 H PHE 7 HN PHE 7 32.102 1.704 50.825 35 HA PHE 7 HA PHE 7 30.020 1.336 49.880 36 HB2 PHE 7 HB2 PHE 7 29.569 2.086 52.240 37 HB3 PHE 7 HB1 PHE 7 29.294 3.709 51.608 38 HD1 PHE 7 HD1 PHE 7 28.189 0.159 51.192 39 HD2 PHE 7 HD2 PHE 7 27.188 4.312 50.756 40 HE1 PHE 7 HE1 PHE 7 25.865 -0.465 50.591 41 HE2 PHE 7 HE2 PHE 7 24.864 3.690 50.155 42 HZ PHE 7 HZ PHE 7 24.203 1.300 50.073 43 H ASP 8 HN ASP 8 31.185 2.354 47.870 44 HA ASP 8 HA ASP 8 29.276 4.224 46.715 45 HB2 ASP 8 HB2 ASP 8 31.227 5.519 47.839 46 HB3 ASP 8 HB1 ASP 8 32.188 4.928 46.484 47 H ASN 9 HN ASN 9 29.374 1.684 45.994 48 HA ASN 9 HA ASN 9 30.674 1.770 43.353 49 HB2 ASN 9 HB2 ASN 9 30.875 -0.444 45.392 50 HB3 ASN 9 HB1 ASN 9 31.160 -0.717 43.674 51 HD21 ASN 9 HD21 ASN 9 33.251 -1.033 45.623 52 HD22 ASN 9 HD22 ASN 9 34.412 0.175 45.347 53 H TYR 10 HN TYR 10 28.022 2.374 43.809 54 HA TYR 10 HA TYR 10 26.147 0.342 43.787 55 HB2 TYR 10 HB2 TYR 10 26.204 3.017 42.397 56 HB3 TYR 10 HB1 TYR 10 24.808 1.944 42.293 57 HD1 TYR 10 HD2 TYR 10 23.492 1.380 44.296 58 HD2 TYR 10 HD1 TYR 10 26.804 4.109 44.484 59 HE1 TYR 10 HE2 TYR 10 22.726 2.156 46.523 60 HE2 TYR 10 HE1 TYR 10 26.038 4.885 46.712 61 HH TYR 10 HH TYR 10 23.667 3.230 48.517 62 H TYR 11 HN TYR 11 24.724 0.104 41.591 63 HA TYR 11 HA TYR 11 26.040 -1.772 40.013 64 HB2 TYR 11 HB2 TYR 11 24.137 -1.175 38.327 65 HB3 TYR 11 HB1 TYR 11 23.714 -1.875 39.890 66 HD1 TYR 11 HD2 TYR 11 24.117 1.379 38.102 67 HD2 TYR 11 HD1 TYR 11 22.340 -0.701 41.414 68 HE1 TYR 11 HE2 TYR 11 22.767 3.389 38.639 69 HE2 TYR 11 HE1 TYR 11 20.990 1.308 41.951 70 HH TYR 11 HH TYR 11 21.001 4.146 39.844 71 H GLY 12 HN GLY 12 26.729 -1.700 37.802 72 HA2 GLY 12 HA2 GLY 12 28.481 0.424 37.200 73 HA3 GLY 12 HA1 GLY 12 27.994 -0.845 36.081 74 H ALA 13 HN ALA 13 27.291 0.069 34.258 75 HA ALA 13 HA ALA 13 25.137 2.044 34.410 76 HB1 ALA 13 HB1 ALA 13 26.985 3.531 34.248 77 HB2 ALA 13 HB2 ALA 13 26.332 3.405 32.614 78 HB3 ALA 13 HB3 ALA 13 27.792 2.517 33.053 79 H ASP 14 HN ASP 14 24.618 -0.461 33.754 80 HA ASP 14 HA ASP 14 25.037 -1.397 31.181 81 HB2 ASP 14 HB2 ASP 14 22.663 -2.404 31.491 82 HB3 ASP 14 HB1 ASP 14 23.936 -2.883 32.613 83 H ASN 15 HN ASN 15 25.051 0.304 29.685 84 HA ASN 15 HA ASN 15 22.472 0.929 28.556 85 HB2 ASN 15 HB2 ASN 15 23.976 2.936 30.155 86 HB3 ASN 15 HB1 ASN 15 23.263 3.486 28.638 87 HD21 ASN 15 HD21 ASN 15 20.883 3.271 28.408 88 HD22 ASN 15 HD22 ASN 15 19.904 3.139 29.788 89 H GLN 16 HN GLN 16 25.960 1.428 28.614 90 HA GLN 16 HA GLN 16 26.278 2.533 26.048 91 HB2 GLN 16 HB2 GLN 16 28.572 2.049 26.276 92 HB3 GLN 16 HB1 GLN 16 28.014 2.262 27.936 93 HG2 GLN 16 HG2 GLN 16 28.642 -0.304 26.481 94 HG3 GLN 16 HG1 GLN 16 29.280 0.270 28.020 95 HE21 GLN 16 HE21 GLN 16 27.280 0.728 29.674 96 HE22 GLN 16 HE22 GLN 16 26.170 -0.551 29.769 97 H SER 17 HN SER 17 24.912 -0.360 26.815 98 HA SER 17 HA SER 17 25.931 -2.344 25.250 99 HB2 SER 17 HB2 SER 17 24.031 -3.164 26.162 100 HB3 SER 17 HB1 SER 17 23.239 -1.590 26.155 101 HG SER 17 HG SER 17 22.594 -1.918 24.102 102 H GLU 18 HN GLU 18 25.187 -3.137 23.093 103 HA GLU 18 HA GLU 18 25.354 -2.817 20.810 104 HB2 GLU 18 HB2 GLU 18 22.901 -2.307 21.508 105 HB3 GLU 18 HB1 GLU 18 23.325 -0.629 21.167 106 HG2 GLU 18 HG2 GLU 18 24.129 -1.360 18.903 107 HG3 GLU 18 HG1 GLU 18 23.502 -2.971 19.253 108 H CYS 19 HN CYS 19 27.391 -1.977 20.472 109 HA CYS 19 HA CYS 19 27.515 0.734 19.538 110 HB2 CYS 19 HB2 CYS 19 27.860 0.615 22.205 111 HB3 CYS 19 HB1 CYS 19 29.514 0.283 21.687 112 HG CYS 19 HG CYS 19 29.242 2.553 20.183 113 H GLU 20 HN GLU 20 29.800 1.277 18.833 114 HA GLU 20 HA GLU 20 31.685 0.757 17.626 115 HB2 GLU 20 HB2 GLU 20 31.824 -0.844 19.856 116 HB3 GLU 20 HB1 GLU 20 31.932 -2.020 18.545 117 HG2 GLU 20 HG2 GLU 20 33.733 -0.640 17.507 118 HG3 GLU 20 HG1 GLU 20 33.669 0.440 18.898 119 H TYR 21 HN TYR 21 28.767 -0.724 17.296 120 HA TYR 21 HA TYR 21 29.186 -2.844 15.518 121 HB2 TYR 21 HB2 TYR 21 26.913 -2.739 15.076 122 HB3 TYR 21 HB1 TYR 21 26.994 -1.903 16.627 123 HD1 TYR 21 HD2 TYR 21 27.131 0.636 16.648 124 HD2 TYR 21 HD1 TYR 21 26.172 -1.617 13.119 125 HE1 TYR 21 HE2 TYR 21 26.188 2.677 15.601 126 HE2 TYR 21 HE1 TYR 21 25.229 0.424 12.073 127 HH TYR 21 HH TYR 21 25.490 2.895 12.303 128 H THR 22 HN THR 22 30.075 0.342 15.142 129 HA THR 22 HA THR 22 29.687 0.406 12.239 130 HB THR 22 HB THR 22 30.779 2.436 14.198 131 HG1 THR 22 HG1 THR 22 28.828 3.493 13.147 132 HG21 THR 22 HG21 THR 22 31.977 2.870 12.212 133 HG22 THR 22 HG22 THR 22 30.578 3.939 12.105 134 HG23 THR 22 HG23 THR 22 30.608 2.432 11.189 135 H ASP 23 HN ASP 23 32.263 0.247 14.654 136 HA ASP 23 HA ASP 23 34.255 -0.058 12.507 137 HB2 ASP 23 HB2 ASP 23 34.454 1.536 14.607 138 HB3 ASP 23 HB1 ASP 23 34.998 0.058 15.398 139 H TRP 24 HN TRP 24 32.294 -2.133 13.305 140 HA TRP 24 HA TRP 24 33.301 -4.141 14.911 141 HB2 TRP 24 HB2 TRP 24 32.126 -5.671 13.097 142 HB3 TRP 24 HB1 TRP 24 31.179 -4.614 14.139 143 HD1 TRP 24 HD1 TRP 24 33.221 -3.140 11.283 144 HE1 TRP 24 HE1 TRP 24 31.610 -2.183 9.514 145 HE3 TRP 24 HE3 TRP 24 28.775 -4.860 13.116 146 HZ2 TRP 24 HZ2 TRP 24 28.805 -2.149 8.951 147 HZ3 TRP 24 HZ3 TRP 24 26.651 -4.350 11.945 148 HH2 TRP 24 HH2 TRP 24 26.661 -2.997 9.867 149 H LYS 25 HN LYS 25 33.272 -5.269 11.661 150 HA LYS 25 HA LYS 25 36.070 -6.082 11.925 151 HB2 LYS 25 HB2 LYS 25 35.544 -7.458 9.884 152 HB3 LYS 25 HB1 LYS 25 34.562 -7.843 11.298 153 HG2 LYS 25 HG2 LYS 25 32.675 -7.315 10.194 154 HG3 LYS 25 HG1 LYS 25 33.314 -5.720 9.792 155 HD2 LYS 25 HD2 LYS 25 34.556 -6.717 7.889 156 HD3 LYS 25 HD1 LYS 25 33.853 -8.287 8.272 157 HE2 LYS 25 HE2 LYS 25 32.191 -5.828 7.676 158 HE3 LYS 25 HE1 LYS 25 32.647 -7.009 6.449 159 HZ1 LYS 25 HZ1 LYS 25 30.967 -7.425 8.849 160 HZ2 LYS 25 HZ2 LYS 25 31.645 -8.720 7.984 161 HZ3 LYS 25 HZ3 LYS 25 30.550 -7.668 7.223 162 H SER 26 HN SER 26 37.088 -4.071 11.542 163 HA SER 26 HA SER 26 37.158 -3.339 8.690 164 HB2 SER 26 HB2 SER 26 37.522 -0.910 9.811 165 HB3 SER 26 HB1 SER 26 35.951 -1.498 9.272 166 HG SER 26 HG SER 26 35.654 -2.299 11.425 167 H SER 27 HN SER 27 38.657 -2.027 11.640 168 HA SER 27 HA SER 27 41.284 -2.273 10.373 169 HB2 SER 27 HB2 SER 27 41.328 -1.184 13.049 170 HB3 SER 27 HB1 SER 27 41.788 -0.422 11.531 171 HG SER 27 HG SER 27 40.067 0.732 12.099 172 H GLY 28 HN GLY 28 39.314 -3.934 12.596 173 HA2 GLY 28 HA2 GLY 28 39.924 -6.147 13.315 174 HA3 GLY 28 HA1 GLY 28 41.604 -5.622 13.379 175 H ALA 29 HN ALA 29 39.359 -3.356 14.592 176 HA ALA 29 HA ALA 29 39.189 -2.439 16.706 177 HB1 ALA 29 HB1 ALA 29 37.453 -3.919 17.109 178 HB2 ALA 29 HB2 ALA 29 38.558 -4.337 18.418 179 HB3 ALA 29 HB3 ALA 29 38.490 -5.338 16.968 180 H LEU 30 HN LEU 30 41.397 -1.782 16.886 181 HA LEU 30 HA LEU 30 42.796 -3.177 19.046 182 HB2 LEU 30 HB2 LEU 30 44.956 -3.039 17.808 183 HB3 LEU 30 HB1 LEU 30 43.808 -4.155 17.068 184 HG LEU 30 HG LEU 30 43.379 -1.506 16.019 185 HD11 LEU 30 HD11 LEU 30 46.210 -2.583 15.873 186 HD12 LEU 30 HD12 LEU 30 45.700 -1.036 16.549 187 HD13 LEU 30 HD13 LEU 30 45.578 -1.325 14.813 188 HD21 LEU 30 HD21 LEU 30 44.416 -4.082 14.791 189 HD22 LEU 30 HD22 LEU 30 43.808 -2.696 13.884 190 HD23 LEU 30 HD23 LEU 30 42.721 -3.613 14.929 191 H ILE 31 HN ILE 31 41.364 -0.802 19.147 192 HA ILE 31 HA ILE 31 42.982 0.938 20.499 193 HB ILE 31 HB ILE 31 43.417 1.231 17.648 194 HG12 ILE 31 HG12 ILE 31 45.104 1.213 19.532 195 HG13 ILE 31 HG11 ILE 31 45.294 2.545 18.398 196 HG21 ILE 31 HG21 ILE 31 42.357 3.699 19.075 197 HG22 ILE 31 HG22 ILE 31 41.654 2.922 17.656 198 HG23 ILE 31 HG23 ILE 31 43.223 3.707 17.542 199 HD11 ILE 31 HD11 ILE 31 43.485 3.203 20.608 200 HD12 ILE 31 HD12 ILE 31 44.884 4.087 19.999 201 HD13 ILE 31 HD13 ILE 31 45.105 2.777 21.157 202 HA PRO 32 HA PRO 32 38.842 3.092 19.156 203 HB2 PRO 32 HB2 PRO 32 37.305 0.866 17.993 204 HB3 PRO 32 HB1 PRO 32 37.557 2.505 17.368 205 HG2 PRO 32 HG2 PRO 32 38.681 0.341 16.241 206 HG3 PRO 32 HG1 PRO 32 39.465 1.931 16.251 207 HD2 PRO 32 HD2 PRO 32 40.024 -0.458 17.976 208 HD3 PRO 32 HD1 PRO 32 41.165 0.702 17.259 209 H ALA 33 HN ALA 33 39.119 -0.202 20.270 210 HA ALA 33 HA ALA 33 36.694 -0.267 21.790 211 HB1 ALA 33 HB1 ALA 33 39.133 -1.966 21.557 212 HB2 ALA 33 HB2 ALA 33 37.434 -2.410 21.400 213 HB3 ALA 33 HB3 ALA 33 38.134 -2.151 22.998 214 H ILE 34 HN ILE 34 39.878 0.991 22.313 215 HA ILE 34 HA ILE 34 39.373 1.319 25.193 216 HB ILE 34 HB ILE 34 41.874 1.832 23.565 217 HG12 ILE 34 HG12 ILE 34 41.403 -0.348 25.604 218 HG13 ILE 34 HG11 ILE 34 41.020 -0.586 23.898 219 HG21 ILE 34 HG21 ILE 34 42.808 1.724 26.020 220 HG22 ILE 34 HG22 ILE 34 41.157 2.154 26.467 221 HG23 ILE 34 HG23 ILE 34 42.097 3.225 25.428 222 HD11 ILE 34 HD11 ILE 34 43.312 -1.377 24.468 223 HD12 ILE 34 HD12 ILE 34 43.731 0.265 24.956 224 HD13 ILE 34 HD13 ILE 34 43.328 -0.079 23.274 225 H TYR 35 HN TYR 35 38.848 2.953 22.355 226 HA TYR 35 HA TYR 35 39.501 5.618 23.310 227 HB2 TYR 35 HB2 TYR 35 39.414 4.632 20.828 228 HB3 TYR 35 HB1 TYR 35 37.749 5.203 20.941 229 HD1 TYR 35 HD2 TYR 35 37.377 7.625 21.783 230 HD2 TYR 35 HD1 TYR 35 41.156 6.145 20.374 231 HE1 TYR 35 HE2 TYR 35 38.147 9.951 21.403 232 HE2 TYR 35 HE1 TYR 35 41.926 8.472 19.996 233 HH TYR 35 HH TYR 35 40.478 11.122 21.303 234 H MET 36 HN MET 36 36.698 3.534 23.025 235 HA MET 36 HA MET 36 34.906 5.688 23.879 236 HB2 MET 36 HB2 MET 36 34.520 2.904 22.827 237 HB3 MET 36 HB1 MET 36 33.213 3.707 23.700 238 HG2 MET 36 HG2 MET 36 34.589 5.298 21.597 239 HG3 MET 36 HG1 MET 36 33.549 3.985 21.047 240 HE1 MET 36 HE1 MET 36 33.604 7.613 21.623 241 HE2 MET 36 HE2 MET 36 31.942 7.771 21.062 242 HE3 MET 36 HE3 MET 36 33.068 6.744 20.178 243 H LEU 37 HN LEU 37 36.645 2.997 25.151 244 HA LEU 37 HA LEU 37 35.000 2.575 27.461 245 HB2 LEU 37 HB2 LEU 37 37.301 1.366 26.288 246 HB3 LEU 37 HB1 LEU 37 37.696 1.775 27.957 247 HG LEU 37 HG LEU 37 35.231 0.240 27.072 248 HD11 LEU 37 HD11 LEU 37 36.307 -1.730 27.857 249 HD12 LEU 37 HD12 LEU 37 37.595 -0.810 28.635 250 HD13 LEU 37 HD13 LEU 37 37.520 -0.907 26.876 251 HD21 LEU 37 HD21 LEU 37 35.597 -0.219 29.756 252 HD22 LEU 37 HD22 LEU 37 34.486 0.982 29.096 253 HD23 LEU 37 HD23 LEU 37 36.099 1.465 29.619 254 H VAL 38 HN VAL 38 36.270 5.299 26.671 255 HA VAL 38 HA VAL 38 37.176 5.970 29.403 256 HB VAL 38 HB VAL 38 38.293 7.063 26.808 257 HG11 VAL 38 HG11 VAL 38 38.319 8.010 29.573 258 HG12 VAL 38 HG12 VAL 38 38.816 8.842 28.101 259 HG13 VAL 38 HG13 VAL 38 39.944 7.772 28.932 260 HG21 VAL 38 HG21 VAL 38 39.035 4.752 27.372 261 HG22 VAL 38 HG22 VAL 38 39.570 5.332 28.950 262 HG23 VAL 38 HG23 VAL 38 40.352 5.919 27.482 263 H PHE 39 HN PHE 39 35.341 6.756 26.571 264 HA PHE 39 HA PHE 39 34.663 9.434 27.442 265 HB2 PHE 39 HB2 PHE 39 34.138 7.734 25.086 266 HB3 PHE 39 HB1 PHE 39 32.837 8.845 25.514 267 HD1 PHE 39 HD2 PHE 39 36.546 9.186 25.885 268 HD2 PHE 39 HD1 PHE 39 32.967 10.643 24.009 269 HE1 PHE 39 HE2 PHE 39 37.828 11.068 24.903 270 HE2 PHE 39 HE1 PHE 39 34.248 12.525 23.026 271 HZ PHE 39 HZ PHE 39 36.679 12.738 23.473 272 H LEU 40 HN LEU 40 32.582 6.636 26.674 273 HA LEU 40 HA LEU 40 30.302 7.472 27.979 274 HB2 LEU 40 HB2 LEU 40 29.700 5.070 28.162 275 HB3 LEU 40 HB1 LEU 40 30.313 5.492 26.564 276 HG LEU 40 HG LEU 40 32.626 4.805 27.895 277 HD11 LEU 40 HD11 LEU 40 30.417 2.924 28.786 278 HD12 LEU 40 HD12 LEU 40 31.313 4.014 29.842 279 HD13 LEU 40 HD13 LEU 40 32.143 2.679 29.044 280 HD21 LEU 40 HD21 LEU 40 32.482 2.716 26.576 281 HD22 LEU 40 HD22 LEU 40 31.953 4.107 25.629 282 HD23 LEU 40 HD23 LEU 40 30.761 3.005 26.317 283 H LEU 41 HN LEU 41 33.287 6.724 29.376 284 HA LEU 41 HA LEU 41 32.469 5.658 31.872 285 HB2 LEU 41 HB2 LEU 41 34.925 6.766 30.690 286 HB3 LEU 41 HB1 LEU 41 34.787 7.018 32.429 287 HG LEU 41 HG LEU 41 35.920 4.861 31.784 288 HD11 LEU 41 HD11 LEU 41 33.864 5.316 33.717 289 HD12 LEU 41 HD12 LEU 41 35.219 4.194 33.812 290 HD13 LEU 41 HD13 LEU 41 33.688 3.669 33.114 291 HD21 LEU 41 HD21 LEU 41 34.910 3.301 30.466 292 HD22 LEU 41 HD22 LEU 41 33.945 4.666 29.908 293 HD23 LEU 41 HD23 LEU 41 33.318 3.599 31.164 294 H GLY 42 HN GLY 42 32.918 8.960 30.687 295 HA2 GLY 42 HA2 GLY 42 31.298 9.952 32.908 296 HA3 GLY 42 HA1 GLY 42 32.937 10.586 32.791 297 H THR 43 HN THR 43 31.015 9.728 29.981 298 HA THR 43 HA THR 43 29.858 12.225 29.432 299 HB THR 43 HB THR 43 32.014 13.199 29.210 300 HG1 THR 43 HG1 THR 43 30.421 13.184 27.307 301 HG21 THR 43 HG21 THR 43 33.301 11.097 29.181 302 HG22 THR 43 HG22 THR 43 33.802 12.159 27.865 303 HG23 THR 43 HG23 THR 43 32.749 10.782 27.536 304 H THR 44 HN THR 44 28.458 11.991 27.797 305 HA THR 44 HA THR 44 27.497 11.188 25.843 306 HB THR 44 HB THR 44 29.514 9.030 25.495 307 HG1 THR 44 HG1 THR 44 30.916 10.607 25.997 308 HG21 THR 44 HG21 THR 44 29.171 9.501 23.191 309 HG22 THR 44 HG22 THR 44 28.497 11.093 23.538 310 HG23 THR 44 HG23 THR 44 27.575 9.642 23.930 311 H GLY 45 HN GLY 45 27.890 9.745 28.719 312 HA2 GLY 45 HA2 GLY 45 25.647 8.237 28.812 313 HA3 GLY 45 HA1 GLY 45 26.819 7.124 28.113 314 H ASN 46 HN ASN 46 26.211 9.216 30.908 315 HA ASN 46 HA ASN 46 27.589 7.256 32.601 316 HB2 ASN 46 HB2 ASN 46 28.385 9.599 33.767 317 HB3 ASN 46 HB1 ASN 46 29.386 8.622 32.696 318 HD21 ASN 46 HD21 ASN 46 28.879 9.152 30.212 319 HD22 ASN 46 HD22 ASN 46 28.763 10.805 29.848 320 H GLY 47 HN GLY 47 24.798 8.482 31.997 321 HA2 GLY 47 HA2 GLY 47 22.979 8.205 33.555 322 HA3 GLY 47 HA1 GLY 47 24.044 8.774 34.837 323 H LEU 48 HN LEU 48 25.012 11.070 34.224 324 HA LEU 48 HA LEU 48 22.783 12.861 34.184 325 HB2 LEU 48 HB2 LEU 48 25.691 13.033 34.581 326 HB3 LEU 48 HB1 LEU 48 24.998 14.448 33.793 327 HG LEU 48 HG LEU 48 25.030 14.591 36.308 328 HD11 LEU 48 HD11 LEU 48 22.901 15.176 34.494 329 HD12 LEU 48 HD12 LEU 48 23.313 16.006 35.993 330 HD13 LEU 48 HD13 LEU 48 22.185 14.651 36.018 331 HD21 LEU 48 HD21 LEU 48 24.208 11.978 36.204 332 HD22 LEU 48 HD22 LEU 48 22.686 12.809 36.528 333 HD23 LEU 48 HD23 LEU 48 24.053 13.012 37.624 334 H VAL 49 HN VAL 49 24.283 11.230 31.732 335 HA VAL 49 HA VAL 49 24.149 13.384 29.762 336 HB VAL 49 HB VAL 49 25.099 10.531 29.719 337 HG11 VAL 49 HG11 VAL 49 23.986 10.555 27.654 338 HG12 VAL 49 HG12 VAL 49 25.595 11.131 27.219 339 HG13 VAL 49 HG13 VAL 49 24.269 12.279 27.411 340 HG21 VAL 49 HG21 VAL 49 26.464 13.004 28.662 341 HG22 VAL 49 HG22 VAL 49 27.191 11.506 29.240 342 HG23 VAL 49 HG23 VAL 49 26.479 12.640 30.387 343 H LEU 50 HN LEU 50 22.826 10.070 29.981 344 HA LEU 50 HA LEU 50 20.837 10.515 27.997 345 HB2 LEU 50 HB2 LEU 50 19.860 8.378 28.897 346 HB3 LEU 50 HB1 LEU 50 21.560 8.263 28.441 347 HG LEU 50 HG LEU 50 21.383 9.143 31.171 348 HD11 LEU 50 HD11 LEU 50 19.900 6.575 30.530 349 HD12 LEU 50 HD12 LEU 50 19.170 8.050 31.166 350 HD13 LEU 50 HD13 LEU 50 20.319 7.140 32.147 351 HD21 LEU 50 HD21 LEU 50 23.312 8.012 30.165 352 HD22 LEU 50 HD22 LEU 50 22.338 6.571 29.870 353 HD23 LEU 50 HD23 LEU 50 22.708 7.063 31.523 354 H TRP 51 HN TRP 51 21.084 11.962 30.881 355 HA TRP 51 HA TRP 51 18.283 11.747 31.686 356 HB2 TRP 51 HB2 TRP 51 19.201 12.110 33.699 357 HB3 TRP 51 HB1 TRP 51 20.763 12.484 32.968 358 HD1 TRP 51 HD1 TRP 51 21.128 15.059 32.149 359 HE1 TRP 51 HE1 TRP 51 20.173 17.250 33.116 360 HE3 TRP 51 HE3 TRP 51 17.235 13.197 34.880 361 HZ2 TRP 51 HZ2 TRP 51 18.041 18.101 34.823 362 HZ3 TRP 51 HZ3 TRP 51 15.760 14.719 36.165 363 HH2 TRP 51 HH2 TRP 51 16.158 17.166 36.140 364 H THR 52 HN THR 52 20.456 13.936 30.045 365 HA THR 52 HA THR 52 18.665 16.196 30.140 366 HB THR 52 HB THR 52 21.265 16.157 29.844 367 HG1 THR 52 HG1 THR 52 19.389 17.787 28.521 368 HG21 THR 52 HG21 THR 52 22.092 15.980 27.657 369 HG22 THR 52 HG22 THR 52 20.499 16.208 26.936 370 HG23 THR 52 HG23 THR 52 20.898 14.683 27.726 371 H VAL 53 HN VAL 53 19.133 13.436 28.104 372 HA VAL 53 HA VAL 53 17.914 14.470 25.742 373 HB VAL 53 HB VAL 53 18.306 11.638 26.729 374 HG11 VAL 53 HG11 VAL 53 17.951 11.165 24.213 375 HG12 VAL 53 HG12 VAL 53 17.187 12.753 24.156 376 HG13 VAL 53 HG13 VAL 53 16.516 11.488 25.186 377 HG21 VAL 53 HG21 VAL 53 20.109 13.544 25.751 378 HG22 VAL 53 HG22 VAL 53 19.757 12.518 24.360 379 HG23 VAL 53 HG23 VAL 53 20.381 11.805 25.848 380 H PHE 54 HN PHE 54 16.714 12.629 28.526 381 HA PHE 54 HA PHE 54 14.051 12.352 27.529 382 HB2 PHE 54 HB2 PHE 54 14.114 10.859 29.205 383 HB3 PHE 54 HB1 PHE 54 15.531 11.627 29.922 384 HD1 PHE 54 HD1 PHE 54 11.823 11.746 29.718 385 HD2 PHE 54 HD2 PHE 54 15.334 13.147 31.759 386 HE1 PHE 54 HE1 PHE 54 10.399 12.711 31.505 387 HE2 PHE 54 HE2 PHE 54 13.910 14.111 33.545 388 HZ PHE 54 HZ PHE 54 11.442 13.894 33.419 389 H ARG 55 HN ARG 55 15.785 14.894 29.086 390 HA ARG 55 HA ARG 55 13.534 16.261 30.212 391 HB2 ARG 55 HB2 ARG 55 16.333 16.548 30.264 392 HB3 ARG 55 HB1 ARG 55 15.711 18.030 29.539 393 HG2 ARG 55 HG2 ARG 55 15.756 18.338 31.940 394 HG3 ARG 55 HG1 ARG 55 14.070 18.187 31.440 395 HD2 ARG 55 HD2 ARG 55 14.990 15.556 31.913 396 HD3 ARG 55 HD1 ARG 55 15.568 16.528 33.263 397 HE ARG 55 HE ARG 55 12.796 15.922 32.623 398 HH11 ARG 55 HH21 ARG 55 15.057 17.931 34.305 399 HH12 ARG 55 HH22 ARG 55 13.914 18.460 35.494 400 HH21 ARG 55 HH11 ARG 55 11.292 16.611 34.180 401 HH22 ARG 55 HH12 ARG 55 11.782 17.712 35.423 402 H LYS 56 HN LYS 56 15.568 16.957 27.357 403 HA LYS 56 HA LYS 56 14.092 19.070 26.324 404 HB2 LYS 56 HB2 LYS 56 15.032 18.328 24.090 405 HB3 LYS 56 HB1 LYS 56 16.224 18.571 25.367 406 HG2 LYS 56 HG2 LYS 56 16.321 16.187 25.809 407 HG3 LYS 56 HG1 LYS 56 15.007 15.884 24.675 408 HD2 LYS 56 HD2 LYS 56 17.185 15.386 23.634 409 HD3 LYS 56 HD1 LYS 56 16.401 16.742 22.825 410 HE2 LYS 56 HE2 LYS 56 18.253 17.317 25.108 411 HE3 LYS 56 HE1 LYS 56 18.947 16.896 23.543 412 HZ1 LYS 56 HZ1 LYS 56 16.813 18.774 23.299 413 HZ2 LYS 56 HZ2 LYS 56 18.407 18.870 22.721 414 HZ3 LYS 56 HZ3 LYS 56 18.044 19.361 24.307 415 H LYS 57 HN LYS 57 13.499 15.619 26.150 416 HA LYS 57 HA LYS 57 11.312 15.954 24.249 417 HB2 LYS 57 HB2 LYS 57 12.583 13.578 25.599 418 HB3 LYS 57 HB1 LYS 57 11.067 13.431 24.708 419 HG2 LYS 57 HG2 LYS 57 12.060 13.872 22.668 420 HG3 LYS 57 HG1 LYS 57 13.338 14.854 23.383 421 HD2 LYS 57 HD2 LYS 57 14.527 12.934 24.146 422 HD3 LYS 57 HD1 LYS 57 13.152 11.872 23.841 423 HE2 LYS 57 HE2 LYS 57 14.242 13.420 21.533 424 HE3 LYS 57 HE1 LYS 57 15.182 12.046 22.114 425 HZ1 LYS 57 HZ1 LYS 57 13.127 10.703 21.953 426 HZ2 LYS 57 HZ2 LYS 57 13.675 11.284 20.453 427 HZ3 LYS 57 HZ3 LYS 57 12.353 12.023 21.221 428 H GLY 58 HN GLY 58 10.843 17.436 26.515 429 HA2 GLY 58 HA2 GLY 58 9.024 15.863 28.202 430 HA3 GLY 58 HA1 GLY 58 9.578 17.504 28.523 431 H HIS 59 HN HIS 59 8.367 16.433 25.407 432 HA HIS 59 HA HIS 59 6.166 18.370 25.656 433 HB2 HIS 59 HB2 HIS 59 7.880 17.448 23.474 434 HB3 HIS 59 HB1 HIS 59 6.169 17.466 23.044 435 HD2 HIS 59 HD2 HIS 59 8.486 20.113 24.952 436 HE1 HIS 59 HE1 HIS 59 5.938 22.142 22.265 437 HE2 HIS 59 HE2 HIS 59 7.777 22.437 23.991 438 H HIS 60 HN HIS 60 6.627 15.212 24.049 439 HA HIS 60 HA HIS 60 3.929 14.532 23.868 440 HB2 HIS 60 HB2 HIS 60 6.499 13.055 23.772 441 HB3 HIS 60 HB1 HIS 60 5.056 12.094 24.093 442 HD2 HIS 60 HD2 HIS 60 4.146 11.181 21.657 443 HE1 HIS 60 HE1 HIS 60 4.901 14.655 19.380 444 HE2 HIS 60 HE2 HIS 60 3.948 12.302 19.307 445 H HIS 61 HN HIS 61 2.575 13.214 25.125 446 HA HIS 61 HA HIS 61 2.353 13.682 27.798 447 HB2 HIS 61 HB2 HIS 61 1.621 11.141 26.324 448 HB3 HIS 61 HB1 HIS 61 1.057 11.554 27.943 449 HD2 HIS 61 HD2 HIS 61 0.242 14.701 27.451 450 HE1 HIS 61 HE1 HIS 61 -2.135 13.237 24.285 451 HE2 HIS 61 HE2 HIS 61 -1.728 15.219 25.818 452 H HIS 62 HN HIS 62 3.170 12.896 29.683 453 HA HIS 62 HA HIS 62 5.738 11.806 29.766 454 HB2 HIS 62 HB2 HIS 62 3.864 11.285 32.032 455 HB3 HIS 62 HB1 HIS 62 5.530 11.862 32.062 456 HD2 HIS 62 HD2 HIS 62 5.771 14.631 32.188 457 HE1 HIS 62 HE1 HIS 62 1.735 15.581 31.394 458 HE2 HIS 62 HE2 HIS 62 3.996 16.541 32.037 459 H HIS 63 HN HIS 63 2.631 10.261 29.509 460 HA HIS 63 HA HIS 63 3.245 7.683 30.416 461 HB2 HIS 63 HB2 HIS 63 1.431 8.354 28.091 462 HB3 HIS 63 HB1 HIS 63 1.345 6.940 29.141 463 HD2 HIS 63 HD2 HIS 63 -1.334 8.661 29.315 464 HE1 HIS 63 HE1 HIS 63 0.293 10.524 32.737 465 HE2 HIS 63 HE2 HIS 63 -1.847 10.093 31.437 466 H HIS 64 HN HIS 64 5.480 7.453 29.696 467 HA HIS 64 HA HIS 64 6.361 7.406 27.061 468 HB2 HIS 64 HB2 HIS 64 7.479 6.839 29.506 469 HB3 HIS 64 HB1 HIS 64 7.476 5.259 28.724 470 HD2 HIS 64 HD2 HIS 64 8.894 5.236 26.157 471 HE1 HIS 64 HE1 HIS 64 11.029 8.781 26.990 472 HE2 HIS 64 HE2 HIS 64 10.879 6.773 25.442 Start of MODEL 21 1 H1 MET 1 HT1 MET 1 -1.046 8.038 -19.621 2 H2 MET 1 HT2 MET 1 -0.210 7.020 -18.549 3 H3 MET 1 HT3 MET 1 0.206 8.663 -18.662 4 HA MET 1 HA MET 1 -1.033 8.615 -16.733 5 HB2 MET 1 HB2 MET 1 -2.046 9.904 -18.967 6 HB3 MET 1 HB1 MET 1 -3.447 9.034 -18.341 7 HG2 MET 1 HG2 MET 1 -3.023 9.994 -16.095 8 HG3 MET 1 HG1 MET 1 -1.658 10.897 -16.751 9 HE1 MET 1 HE1 MET 1 -5.247 12.888 -16.008 10 HE2 MET 1 HE2 MET 1 -3.794 12.329 -15.184 11 HE3 MET 1 HE3 MET 1 -5.058 11.176 -15.603 12 H GLU 2 HN GLU 2 -1.930 7.207 -15.364 13 HA GLU 2 HA GLU 2 -2.936 5.288 -14.584 14 HB2 GLU 2 HB2 GLU 2 -4.996 5.748 -16.737 15 HB3 GLU 2 HB1 GLU 2 -5.226 5.075 -15.122 16 HG2 GLU 2 HG2 GLU 2 -4.593 7.943 -15.851 17 HG3 GLU 2 HG1 GLU 2 -6.035 7.332 -15.041 18 H GLU 3 HN GLU 3 -1.089 4.085 -15.537 19 HA GLU 3 HA GLU 3 -2.085 2.133 -17.505 20 HB2 GLU 3 HB2 GLU 3 0.677 3.370 -17.587 21 HB3 GLU 3 HB1 GLU 3 0.036 2.156 -18.695 22 HG2 GLU 3 HG2 GLU 3 -1.861 3.889 -19.126 23 HG3 GLU 3 HG1 GLU 3 -0.740 5.053 -18.421 24 H GLY 4 HN GLY 4 0.306 0.666 -17.658 25 HA2 GLY 4 HA2 GLY 4 0.485 -0.403 -14.901 26 HA3 GLY 4 HA1 GLY 4 0.605 -1.386 -16.357 27 H GLY 5 HN GLY 5 2.117 1.749 -16.129 28 HA2 GLY 5 HA2 GLY 5 4.754 0.493 -15.711 29 HA3 GLY 5 HA1 GLY 5 4.493 1.542 -17.101 30 H ASP 6 HN ASP 6 6.250 1.770 -14.659 31 HA ASP 6 HA ASP 6 5.648 4.572 -14.118 32 HB2 ASP 6 HB2 ASP 6 4.487 3.092 -12.361 33 HB3 ASP 6 HB1 ASP 6 6.111 2.732 -11.779 34 H PHE 7 HN PHE 7 7.441 5.480 -12.623 35 HA PHE 7 HA PHE 7 10.000 4.093 -12.955 36 HB2 PHE 7 HB2 PHE 7 9.236 6.669 -14.283 37 HB3 PHE 7 HB1 PHE 7 10.902 6.427 -13.756 38 HD1 PHE 7 HD2 PHE 7 8.246 5.266 -16.030 39 HD2 PHE 7 HD1 PHE 7 12.312 4.705 -14.761 40 HE1 PHE 7 HE2 PHE 7 8.676 3.861 -18.028 41 HE2 PHE 7 HE1 PHE 7 12.741 3.301 -16.759 42 HZ PHE 7 HZ PHE 7 10.924 2.879 -18.394 43 H ASP 8 HN ASP 8 10.819 4.075 -10.968 44 HA ASP 8 HA ASP 8 11.119 6.566 -9.502 45 HB2 ASP 8 HB2 ASP 8 8.841 5.497 -8.899 46 HB3 ASP 8 HB1 ASP 8 9.801 4.281 -8.056 47 H ASN 9 HN ASN 9 13.211 5.424 -10.505 48 HA ASN 9 HA ASN 9 14.606 4.308 -8.203 49 HB2 ASN 9 HB2 ASN 9 13.597 2.398 -9.623 50 HB3 ASN 9 HB1 ASN 9 14.816 2.835 -10.819 51 HD21 ASN 9 HD21 ASN 9 14.485 0.446 -8.812 52 HD22 ASN 9 HD22 ASN 9 16.021 0.340 -8.098 53 H TYR 10 HN TYR 10 14.837 6.816 -9.406 54 HA TYR 10 HA TYR 10 16.786 7.058 -11.403 55 HB2 TYR 10 HB2 TYR 10 15.520 8.792 -9.436 56 HB3 TYR 10 HB1 TYR 10 17.208 9.224 -9.711 57 HD1 TYR 10 HD1 TYR 10 18.002 9.427 -12.163 58 HD2 TYR 10 HD2 TYR 10 13.867 9.400 -11.000 59 HE1 TYR 10 HE1 TYR 10 17.386 10.467 -14.328 60 HE2 TYR 10 HE2 TYR 10 13.252 10.438 -13.166 61 HH TYR 10 HH TYR 10 14.175 10.627 -15.441 62 H TYR 11 HN TYR 11 17.098 5.692 -8.374 63 HA TYR 11 HA TYR 11 19.538 6.538 -7.374 64 HB2 TYR 11 HB2 TYR 11 18.188 3.847 -7.387 65 HB3 TYR 11 HB1 TYR 11 19.757 4.079 -6.616 66 HD1 TYR 11 HD2 TYR 11 19.965 6.045 -4.930 67 HD2 TYR 11 HD1 TYR 11 16.218 4.396 -6.231 68 HE1 TYR 11 HE2 TYR 11 18.847 7.016 -2.941 69 HE2 TYR 11 HE1 TYR 11 15.100 5.367 -4.241 70 HH TYR 11 HH TYR 11 16.913 6.802 -1.633 71 H GLY 12 HN GLY 12 21.497 6.631 -8.248 72 HA2 GLY 12 HA2 GLY 12 22.721 4.461 -9.614 73 HA3 GLY 12 HA1 GLY 12 22.208 5.690 -10.769 74 H ALA 13 HN ALA 13 23.626 5.825 -7.494 75 HA ALA 13 HA ALA 13 25.496 7.878 -8.446 76 HB1 ALA 13 HB1 ALA 13 24.083 8.149 -6.331 77 HB2 ALA 13 HB2 ALA 13 25.810 8.469 -6.170 78 HB3 ALA 13 HB3 ALA 13 25.139 6.941 -5.600 79 H ASP 14 HN ASP 14 26.280 5.658 -9.593 80 HA ASP 14 HA ASP 14 27.994 4.010 -7.981 81 HB2 ASP 14 HB2 ASP 14 27.994 4.341 -10.987 82 HB3 ASP 14 HB1 ASP 14 28.660 2.993 -10.069 83 H ASN 15 HN ASN 15 28.936 6.191 -7.099 84 HA ASN 15 HA ASN 15 31.556 6.482 -8.344 85 HB2 ASN 15 HB2 ASN 15 29.588 8.751 -8.064 86 HB3 ASN 15 HB1 ASN 15 31.327 9.025 -8.156 87 HD21 ASN 15 HD21 ASN 15 32.187 7.238 -10.072 88 HD22 ASN 15 HD22 ASN 15 31.402 7.524 -11.551 89 H GLN 16 HN GLN 16 30.645 5.302 -5.898 90 HA GLN 16 HA GLN 16 31.383 7.198 -3.799 91 HB2 GLN 16 HB2 GLN 16 30.783 5.377 -2.258 92 HB3 GLN 16 HB1 GLN 16 29.482 5.686 -3.410 93 HG2 GLN 16 HG2 GLN 16 31.001 3.830 -4.754 94 HG3 GLN 16 HG1 GLN 16 31.165 3.295 -3.083 95 HE21 GLN 16 HE21 GLN 16 28.413 4.739 -4.931 96 HE22 GLN 16 HE22 GLN 16 27.312 3.515 -4.513 97 H SER 17 HN SER 17 33.580 7.238 -4.993 98 HA SER 17 HA SER 17 35.293 4.991 -4.167 99 HB2 SER 17 HB2 SER 17 35.372 5.819 -6.539 100 HB3 SER 17 HB1 SER 17 36.002 7.346 -5.928 101 HG SER 17 HG SER 17 37.627 5.796 -6.571 102 H GLU 18 HN GLU 18 35.817 5.289 -2.059 103 HA GLU 18 HA GLU 18 37.338 7.722 -1.413 104 HB2 GLU 18 HB2 GLU 18 34.850 6.760 -0.088 105 HB3 GLU 18 HB1 GLU 18 36.130 7.396 0.945 106 HG2 GLU 18 HG2 GLU 18 36.177 9.476 -0.332 107 HG3 GLU 18 HG1 GLU 18 34.977 8.842 -1.457 108 H CYS 19 HN CYS 19 39.057 7.388 -0.062 109 HA CYS 19 HA CYS 19 39.658 4.581 0.577 110 HB2 CYS 19 HB2 CYS 19 41.987 5.483 0.946 111 HB3 CYS 19 HB1 CYS 19 41.384 5.644 -0.704 112 HG CYS 19 HG CYS 19 41.188 8.147 -0.422 113 H GLU 20 HN GLU 20 37.863 6.463 2.130 114 HA GLU 20 HA GLU 20 39.137 5.998 4.743 115 HB2 GLU 20 HB2 GLU 20 38.810 8.548 3.585 116 HB3 GLU 20 HB1 GLU 20 37.562 8.408 4.824 117 HG2 GLU 20 HG2 GLU 20 39.284 7.686 6.455 118 HG3 GLU 20 HG1 GLU 20 40.523 7.888 5.217 119 H TYR 21 HN TYR 21 36.186 6.768 2.940 120 HA TYR 21 HA TYR 21 34.270 6.458 4.909 121 HB2 TYR 21 HB2 TYR 21 32.804 6.526 3.192 122 HB3 TYR 21 HB1 TYR 21 34.228 6.768 2.178 123 HD1 TYR 21 HD1 TYR 21 35.358 4.766 1.131 124 HD2 TYR 21 HD2 TYR 21 31.544 4.506 3.090 125 HE1 TYR 21 HE1 TYR 21 34.928 2.598 0.006 126 HE2 TYR 21 HE2 TYR 21 31.114 2.338 1.965 127 HH TYR 21 HH TYR 21 31.804 0.993 0.245 128 H THR 22 HN THR 22 36.490 4.150 3.820 129 HA THR 22 HA THR 22 34.815 1.891 4.694 130 HB THR 22 HB THR 22 37.406 2.026 3.145 131 HG1 THR 22 HG1 THR 22 35.477 0.563 2.064 132 HG21 THR 22 HG21 THR 22 37.739 0.097 4.423 133 HG22 THR 22 HG22 THR 22 36.907 -0.540 3.005 134 HG23 THR 22 HG23 THR 22 36.015 -0.267 4.500 135 H ASP 23 HN ASP 23 37.713 3.702 5.460 136 HA ASP 23 HA ASP 23 38.326 1.874 7.682 137 HB2 ASP 23 HB2 ASP 23 40.016 2.999 5.915 138 HB3 ASP 23 HB1 ASP 23 40.025 4.249 7.157 139 H TRP 24 HN TRP 24 36.059 3.883 7.522 140 HA TRP 24 HA TRP 24 36.471 6.118 9.102 141 HB2 TRP 24 HB2 TRP 24 34.004 5.564 9.873 142 HB3 TRP 24 HB1 TRP 24 34.342 6.045 8.214 143 HD1 TRP 24 HD1 TRP 24 35.296 2.560 9.407 144 HE1 TRP 24 HE1 TRP 24 33.824 0.829 8.192 145 HE3 TRP 24 HE3 TRP 24 32.001 5.688 7.074 146 HZ2 TRP 24 HZ2 TRP 24 31.549 0.777 6.456 147 HZ3 TRP 24 HZ3 TRP 24 30.194 4.771 5.647 148 HH2 TRP 24 HH2 TRP 24 29.965 2.323 5.335 149 H LYS 25 HN LYS 25 34.384 3.969 10.788 150 HA LYS 25 HA LYS 25 36.206 4.048 13.098 151 HB2 LYS 25 HB2 LYS 25 34.152 3.443 14.397 152 HB3 LYS 25 HB1 LYS 25 34.020 4.980 13.541 153 HG2 LYS 25 HG2 LYS 25 33.182 2.879 11.778 154 HG3 LYS 25 HG1 LYS 25 32.325 2.705 13.310 155 HD2 LYS 25 HD2 LYS 25 31.594 5.034 13.209 156 HD3 LYS 25 HD1 LYS 25 32.521 5.285 11.729 157 HE2 LYS 25 HE2 LYS 25 31.128 3.762 10.499 158 HE3 LYS 25 HE1 LYS 25 30.330 3.210 11.972 159 HZ1 LYS 25 HZ1 LYS 25 29.942 5.876 12.056 160 HZ2 LYS 25 HZ2 LYS 25 28.815 4.749 11.468 161 HZ3 LYS 25 HZ3 LYS 25 29.843 5.568 10.391 162 H SER 26 HN SER 26 37.534 2.309 12.292 163 HA SER 26 HA SER 26 36.504 -0.293 13.095 164 HB2 SER 26 HB2 SER 26 37.037 0.451 10.275 165 HB3 SER 26 HB1 SER 26 37.673 -1.103 10.805 166 HG SER 26 HG SER 26 34.999 -0.194 11.124 167 H SER 27 HN SER 27 39.244 0.523 11.003 168 HA SER 27 HA SER 27 41.502 0.183 11.267 169 HB2 SER 27 HB2 SER 27 40.850 2.014 13.051 170 HB3 SER 27 HB1 SER 27 41.236 0.733 14.196 171 HG SER 27 HG SER 27 43.286 0.728 13.519 172 H GLY 28 HN GLY 28 39.739 -2.103 11.607 173 HA2 GLY 28 HA2 GLY 28 40.094 -4.354 12.029 174 HA3 GLY 28 HA1 GLY 28 41.643 -3.933 12.757 175 H ALA 29 HN ALA 29 39.329 -1.989 14.118 176 HA ALA 29 HA ALA 29 38.452 -1.889 16.242 177 HB1 ALA 29 HB1 ALA 29 36.898 -3.568 16.762 178 HB2 ALA 29 HB2 ALA 29 37.856 -4.826 15.982 179 HB3 ALA 29 HB3 ALA 29 36.996 -3.638 15.003 180 H LEU 30 HN LEU 30 41.175 -2.165 16.288 181 HA LEU 30 HA LEU 30 41.561 -3.811 18.703 182 HB2 LEU 30 HB2 LEU 30 43.252 -3.795 16.208 183 HB3 LEU 30 HB1 LEU 30 43.912 -4.276 17.771 184 HG LEU 30 HG LEU 30 41.315 -5.505 17.041 185 HD11 LEU 30 HD11 LEU 30 43.898 -6.087 15.573 186 HD12 LEU 30 HD12 LEU 30 42.334 -5.669 14.873 187 HD13 LEU 30 HD13 LEU 30 42.562 -7.236 15.652 188 HD21 LEU 30 HD21 LEU 30 42.773 -5.963 19.098 189 HD22 LEU 30 HD22 LEU 30 43.894 -6.769 17.999 190 HD23 LEU 30 HD23 LEU 30 42.250 -7.382 18.189 191 H ILE 31 HN ILE 31 41.019 -1.237 18.989 192 HA ILE 31 HA ILE 31 43.017 -0.140 20.494 193 HB ILE 31 HB ILE 31 43.616 0.228 17.681 194 HG12 ILE 31 HG12 ILE 31 45.159 -0.421 19.581 195 HG13 ILE 31 HG11 ILE 31 45.766 0.872 18.554 196 HG21 ILE 31 HG21 ILE 31 42.418 2.351 17.808 197 HG22 ILE 31 HG22 ILE 31 44.148 2.656 17.784 198 HG23 ILE 31 HG23 ILE 31 43.261 2.780 19.297 199 HD11 ILE 31 HD11 ILE 31 45.758 2.359 20.259 200 HD12 ILE 31 HD12 ILE 31 45.575 0.960 21.316 201 HD13 ILE 31 HD13 ILE 31 44.154 1.864 20.796 202 HA PRO 32 HA PRO 32 39.716 3.207 19.265 203 HB2 PRO 32 HB2 PRO 32 37.650 1.579 17.931 204 HB3 PRO 32 HB1 PRO 32 38.353 3.129 17.435 205 HG2 PRO 32 HG2 PRO 32 38.880 0.838 16.145 206 HG3 PRO 32 HG1 PRO 32 40.075 2.138 16.302 207 HD2 PRO 32 HD2 PRO 32 39.881 -0.439 17.827 208 HD3 PRO 32 HD1 PRO 32 41.327 0.400 17.220 209 H ALA 33 HN ALA 33 38.559 -0.116 19.788 210 HA ALA 33 HA ALA 33 36.330 0.396 21.365 211 HB1 ALA 33 HB1 ALA 33 37.205 -1.862 22.515 212 HB2 ALA 33 HB2 ALA 33 38.232 -1.872 21.082 213 HB3 ALA 33 HB3 ALA 33 36.476 -1.842 20.909 214 H ILE 34 HN ILE 34 39.709 0.677 22.127 215 HA ILE 34 HA ILE 34 39.290 0.787 24.995 216 HB ILE 34 HB ILE 34 41.710 1.334 23.263 217 HG12 ILE 34 HG12 ILE 34 41.213 -0.913 25.229 218 HG13 ILE 34 HG11 ILE 34 40.780 -1.042 23.524 219 HG21 ILE 34 HG21 ILE 34 41.254 1.517 26.236 220 HG22 ILE 34 HG22 ILE 34 42.105 2.642 25.177 221 HG23 ILE 34 HG23 ILE 34 42.845 1.097 25.599 222 HD11 ILE 34 HD11 ILE 34 43.034 -1.983 23.984 223 HD12 ILE 34 HD12 ILE 34 43.556 -0.401 24.563 224 HD13 ILE 34 HD13 ILE 34 43.101 -0.615 22.872 225 H TYR 35 HN TYR 35 39.688 3.013 22.311 226 HA TYR 35 HA TYR 35 40.120 5.369 23.826 227 HB2 TYR 35 HB2 TYR 35 39.858 4.672 21.088 228 HB3 TYR 35 HB1 TYR 35 38.685 5.948 21.415 229 HD1 TYR 35 HD2 TYR 35 39.525 8.014 22.744 230 HD2 TYR 35 HD1 TYR 35 42.129 5.204 20.801 231 HE1 TYR 35 HE2 TYR 35 41.351 9.692 22.767 232 HE2 TYR 35 HE1 TYR 35 43.955 6.882 20.824 233 HH TYR 35 HH TYR 35 44.615 8.868 21.649 234 H MET 36 HN MET 36 37.192 3.817 22.567 235 HA MET 36 HA MET 36 35.413 5.855 23.504 236 HB2 MET 36 HB2 MET 36 33.642 4.238 22.958 237 HB3 MET 36 HB1 MET 36 34.816 4.356 21.648 238 HG2 MET 36 HG2 MET 36 35.988 2.350 22.603 239 HG3 MET 36 HG1 MET 36 34.674 2.194 23.766 240 HE1 MET 36 HE1 MET 36 34.757 1.533 19.293 241 HE2 MET 36 HE2 MET 36 35.774 2.566 20.292 242 HE3 MET 36 HE3 MET 36 34.221 3.165 19.716 243 H LEU 37 HN LEU 37 36.632 2.811 24.790 244 HA LEU 37 HA LEU 37 34.903 2.398 26.918 245 HB2 LEU 37 HB2 LEU 37 36.751 0.861 26.227 246 HB3 LEU 37 HB1 LEU 37 37.903 1.979 26.951 247 HG LEU 37 HG LEU 37 36.747 1.716 29.144 248 HD11 LEU 37 HD11 LEU 37 34.559 1.059 28.815 249 HD12 LEU 37 HD12 LEU 37 35.285 -0.523 29.095 250 HD13 LEU 37 HD13 LEU 37 34.963 0.019 27.448 251 HD21 LEU 37 HD21 LEU 37 37.598 -0.528 29.605 252 HD22 LEU 37 HD22 LEU 37 38.699 0.301 28.505 253 HD23 LEU 37 HD23 LEU 37 37.582 -0.915 27.885 254 H VAL 38 HN VAL 38 37.429 4.773 26.524 255 HA VAL 38 HA VAL 38 37.063 5.680 29.308 256 HB VAL 38 HB VAL 38 39.144 6.688 27.373 257 HG11 VAL 38 HG11 VAL 38 40.017 7.739 29.194 258 HG12 VAL 38 HG12 VAL 38 39.672 6.380 30.264 259 HG13 VAL 38 HG13 VAL 38 38.400 7.537 29.867 260 HG21 VAL 38 HG21 VAL 38 40.450 4.906 29.010 261 HG22 VAL 38 HG22 VAL 38 39.949 4.558 27.355 262 HG23 VAL 38 HG23 VAL 38 38.929 4.064 28.707 263 H PHE 39 HN PHE 39 35.033 6.133 27.323 264 HA PHE 39 HA PHE 39 35.085 9.086 27.268 265 HB2 PHE 39 HB2 PHE 39 35.513 8.469 25.003 266 HB3 PHE 39 HB1 PHE 39 34.280 7.209 25.044 267 HD1 PHE 39 HD2 PHE 39 34.708 10.906 25.470 268 HD2 PHE 39 HD1 PHE 39 32.093 7.690 24.343 269 HE1 PHE 39 HE2 PHE 39 33.003 12.551 24.734 270 HE2 PHE 39 HE1 PHE 39 30.388 9.334 23.608 271 HZ PHE 39 HZ PHE 39 30.843 11.764 23.803 272 H LEU 40 HN LEU 40 33.168 6.116 27.259 273 HA LEU 40 HA LEU 40 30.641 7.384 27.603 274 HB2 LEU 40 HB2 LEU 40 29.841 5.146 28.220 275 HB3 LEU 40 HB1 LEU 40 30.860 5.071 26.783 276 HG LEU 40 HG LEU 40 32.614 4.830 28.982 277 HD11 LEU 40 HD11 LEU 40 31.694 2.934 30.218 278 HD12 LEU 40 HD12 LEU 40 30.229 2.972 29.236 279 HD13 LEU 40 HD13 LEU 40 30.586 4.301 30.338 280 HD21 LEU 40 HD21 LEU 40 31.464 2.805 27.038 281 HD22 LEU 40 HD22 LEU 40 32.860 2.498 28.070 282 HD23 LEU 40 HD23 LEU 40 32.938 3.749 26.829 283 H LEU 41 HN LEU 41 33.267 6.741 29.719 284 HA LEU 41 HA LEU 41 31.793 6.644 32.173 285 HB2 LEU 41 HB2 LEU 41 34.695 7.359 31.686 286 HB3 LEU 41 HB1 LEU 41 33.982 6.938 33.242 287 HG LEU 41 HG LEU 41 34.055 5.122 30.811 288 HD11 LEU 41 HD11 LEU 41 35.509 3.931 32.833 289 HD12 LEU 41 HD12 LEU 41 35.948 5.632 32.998 290 HD13 LEU 41 HD13 LEU 41 36.200 4.800 31.464 291 HD21 LEU 41 HD21 LEU 41 32.860 4.924 33.557 292 HD22 LEU 41 HD22 LEU 41 33.525 3.466 32.822 293 HD23 LEU 41 HD23 LEU 41 32.226 4.345 32.017 294 H GLY 42 HN GLY 42 33.424 9.191 30.336 295 HA2 GLY 42 HA2 GLY 42 33.238 11.270 32.205 296 HA3 GLY 42 HA1 GLY 42 33.291 11.485 30.458 297 H THR 43 HN THR 43 30.903 10.087 29.820 298 HA THR 43 HA THR 43 28.804 11.613 31.214 299 HB THR 43 HB THR 43 29.441 12.885 29.191 300 HG1 THR 43 HG1 THR 43 27.030 11.908 29.808 301 HG21 THR 43 HG21 THR 43 28.325 10.994 27.280 302 HG22 THR 43 HG22 THR 43 29.756 10.344 28.080 303 HG23 THR 43 HG23 THR 43 29.849 11.879 27.217 304 H THR 44 HN THR 44 27.063 10.690 28.867 305 HA THR 44 HA THR 44 25.722 8.900 28.325 306 HB THR 44 HB THR 44 27.547 6.992 29.734 307 HG1 THR 44 HG1 THR 44 29.157 7.685 28.611 308 HG21 THR 44 HG21 THR 44 26.197 6.923 27.023 309 HG22 THR 44 HG22 THR 44 25.481 6.277 28.499 310 HG23 THR 44 HG23 THR 44 26.965 5.573 27.857 311 H GLY 45 HN GLY 45 27.208 8.024 31.455 312 HA2 GLY 45 HA2 GLY 45 24.626 8.368 32.786 313 HA3 GLY 45 HA1 GLY 45 25.309 6.744 32.790 314 H ASN 46 HN ASN 46 26.575 10.048 33.288 315 HA ASN 46 HA ASN 46 28.284 9.070 35.441 316 HB2 ASN 46 HB2 ASN 46 29.245 11.319 35.410 317 HB3 ASN 46 HB1 ASN 46 29.190 10.653 33.778 318 HD21 ASN 46 HD21 ASN 46 27.347 11.419 32.370 319 HD22 ASN 46 HD22 ASN 46 26.682 12.954 32.657 320 H GLY 47 HN GLY 47 27.831 12.123 36.281 321 HA2 GLY 47 HA2 GLY 47 26.735 11.826 38.733 322 HA3 GLY 47 HA1 GLY 47 26.489 13.284 37.777 323 H LEU 48 HN LEU 48 25.012 11.761 35.695 324 HA LEU 48 HA LEU 48 22.395 12.197 36.599 325 HB2 LEU 48 HB2 LEU 48 23.612 11.515 34.177 326 HB3 LEU 48 HB1 LEU 48 22.542 10.159 34.526 327 HG LEU 48 HG LEU 48 21.311 11.825 33.253 328 HD11 LEU 48 HD11 LEU 48 20.468 10.720 35.614 329 HD12 LEU 48 HD12 LEU 48 19.433 11.632 34.515 330 HD13 LEU 48 HD13 LEU 48 20.169 12.434 35.904 331 HD21 LEU 48 HD21 LEU 48 22.859 13.643 34.809 332 HD22 LEU 48 HD22 LEU 48 21.160 13.968 35.155 333 HD23 LEU 48 HD23 LEU 48 21.748 14.020 33.492 334 H VAL 49 HN VAL 49 24.042 9.082 36.026 335 HA VAL 49 HA VAL 49 22.057 7.416 37.057 336 HB VAL 49 HB VAL 49 25.059 7.023 37.177 337 HG11 VAL 49 HG11 VAL 49 24.324 4.581 37.077 338 HG12 VAL 49 HG12 VAL 49 22.696 5.149 37.448 339 HG13 VAL 49 HG13 VAL 49 24.006 5.410 38.600 340 HG21 VAL 49 HG21 VAL 49 24.818 5.925 35.033 341 HG22 VAL 49 HG22 VAL 49 24.071 7.518 34.901 342 HG23 VAL 49 HG23 VAL 49 23.063 6.085 35.094 343 H LEU 50 HN LEU 50 24.194 9.573 38.671 344 HA LEU 50 HA LEU 50 23.875 8.255 41.259 345 HB2 LEU 50 HB2 LEU 50 25.440 10.632 40.278 346 HB3 LEU 50 HB1 LEU 50 25.229 10.337 42.001 347 HG LEU 50 HG LEU 50 27.339 9.346 41.031 348 HD11 LEU 50 HD11 LEU 50 25.949 6.900 41.807 349 HD12 LEU 50 HD12 LEU 50 25.560 8.242 42.883 350 HD13 LEU 50 HD13 LEU 50 27.239 7.765 42.641 351 HD21 LEU 50 HD21 LEU 50 27.238 7.526 39.509 352 HD22 LEU 50 HD22 LEU 50 26.125 8.726 38.854 353 HD23 LEU 50 HD23 LEU 50 25.500 7.331 39.734 354 H TRP 51 HN TRP 51 22.362 10.674 39.372 355 HA TRP 51 HA TRP 51 21.320 12.294 41.478 356 HB2 TRP 51 HB2 TRP 51 20.701 13.544 39.727 357 HB3 TRP 51 HB1 TRP 51 21.234 12.266 38.636 358 HD1 TRP 51 HD1 TRP 51 19.368 10.274 38.163 359 HE1 TRP 51 HE1 TRP 51 16.814 10.494 37.893 360 HE3 TRP 51 HE3 TRP 51 18.637 14.825 40.363 361 HZ2 TRP 51 HZ2 TRP 51 14.735 12.355 38.527 362 HZ3 TRP 51 HZ3 TRP 51 16.362 15.796 40.516 363 HH2 TRP 51 HH2 TRP 51 14.412 14.569 39.601 364 H THR 52 HN THR 52 20.294 9.331 39.910 365 HA THR 52 HA THR 52 17.635 9.344 40.995 366 HB THR 52 HB THR 52 18.578 8.056 38.927 367 HG1 THR 52 HG1 THR 52 16.990 6.392 39.386 368 HG21 THR 52 HG21 THR 52 20.298 6.926 40.513 369 HG22 THR 52 HG22 THR 52 19.488 5.923 39.310 370 HG23 THR 52 HG23 THR 52 18.950 5.893 40.989 371 H VAL 53 HN VAL 53 20.768 8.248 42.060 372 HA VAL 53 HA VAL 53 19.824 6.492 44.117 373 HB VAL 53 HB VAL 53 22.499 7.887 43.867 374 HG11 VAL 53 HG11 VAL 53 21.576 5.454 45.423 375 HG12 VAL 53 HG12 VAL 53 22.121 6.988 46.101 376 HG13 VAL 53 HG13 VAL 53 23.260 5.946 45.248 377 HG21 VAL 53 HG21 VAL 53 22.194 6.614 41.874 378 HG22 VAL 53 HG22 VAL 53 21.407 5.298 42.747 379 HG23 VAL 53 HG23 VAL 53 23.139 5.576 42.942 380 H PHE 54 HN PHE 54 21.251 9.764 44.195 381 HA PHE 54 HA PHE 54 20.844 10.202 46.951 382 HB2 PHE 54 HB2 PHE 54 22.125 11.947 46.374 383 HB3 PHE 54 HB1 PHE 54 21.749 11.721 44.666 384 HD1 PHE 54 HD2 PHE 54 20.743 13.413 47.789 385 HD2 PHE 54 HD1 PHE 54 19.942 12.943 43.595 386 HE1 PHE 54 HE2 PHE 54 19.278 15.413 47.845 387 HE2 PHE 54 HE1 PHE 54 18.477 14.944 43.650 388 HZ PHE 54 HZ PHE 54 18.146 16.179 45.776 389 H ARG 55 HN ARG 55 18.604 9.897 44.472 390 HA ARG 55 HA ARG 55 16.648 11.768 45.523 391 HB2 ARG 55 HB2 ARG 55 17.047 10.448 43.069 392 HB3 ARG 55 HB1 ARG 55 15.543 9.800 43.725 393 HG2 ARG 55 HG2 ARG 55 15.004 11.778 42.436 394 HG3 ARG 55 HG1 ARG 55 14.789 12.163 44.144 395 HD2 ARG 55 HD2 ARG 55 17.501 12.700 43.542 396 HD3 ARG 55 HD1 ARG 55 16.554 13.394 42.228 397 HE ARG 55 HE ARG 55 16.546 14.240 45.011 398 HH11 ARG 55 HH21 ARG 55 14.970 14.237 41.931 399 HH12 ARG 55 HH22 ARG 55 14.060 15.678 42.240 400 HH21 ARG 55 HH11 ARG 55 15.355 16.130 45.425 401 HH22 ARG 55 HH12 ARG 55 14.277 16.750 44.218 402 H LYS 56 HN LYS 56 16.562 8.238 44.966 403 HA LYS 56 HA LYS 56 14.356 7.723 46.607 404 HB2 LYS 56 HB2 LYS 56 15.273 5.371 46.687 405 HB3 LYS 56 HB1 LYS 56 15.092 6.039 45.064 406 HG2 LYS 56 HG2 LYS 56 17.495 6.682 45.088 407 HG3 LYS 56 HG1 LYS 56 17.659 5.926 46.673 408 HD2 LYS 56 HD2 LYS 56 16.494 3.897 45.295 409 HD3 LYS 56 HD1 LYS 56 17.409 4.671 44.000 410 HE2 LYS 56 HE2 LYS 56 18.956 3.146 44.905 411 HE3 LYS 56 HE1 LYS 56 19.382 4.664 45.696 412 HZ1 LYS 56 HZ1 LYS 56 17.826 2.402 46.800 413 HZ2 LYS 56 HZ2 LYS 56 17.808 3.944 47.514 414 HZ3 LYS 56 HZ3 LYS 56 19.264 3.077 47.395 415 H LYS 57 HN LYS 57 17.794 7.927 47.366 416 HA LYS 57 HA LYS 57 17.332 7.173 50.146 417 HB2 LYS 57 HB2 LYS 57 19.778 7.829 48.516 418 HB3 LYS 57 HB1 LYS 57 19.854 7.720 50.275 419 HG2 LYS 57 HG2 LYS 57 19.459 5.451 50.296 420 HG3 LYS 57 HG1 LYS 57 18.486 5.499 48.826 421 HD2 LYS 57 HD2 LYS 57 20.635 4.370 48.409 422 HD3 LYS 57 HD1 LYS 57 20.534 5.870 47.488 423 HE2 LYS 57 HE2 LYS 57 22.741 5.565 48.639 424 HE3 LYS 57 HE1 LYS 57 21.897 7.031 49.134 425 HZ1 LYS 57 HZ1 LYS 57 21.300 4.645 50.676 426 HZ2 LYS 57 HZ2 LYS 57 21.544 6.245 51.194 427 HZ3 LYS 57 HZ3 LYS 57 22.876 5.249 50.846 428 H GLY 58 HN GLY 58 15.915 9.461 49.370 429 HA2 GLY 58 HA2 GLY 58 17.341 11.846 50.130 430 HA3 GLY 58 HA1 GLY 58 15.609 11.710 49.839 431 H HIS 59 HN HIS 59 18.161 11.141 52.214 432 HA HIS 59 HA HIS 59 16.417 10.458 54.366 433 HB2 HIS 59 HB2 HIS 59 19.108 11.715 54.790 434 HB3 HIS 59 HB1 HIS 59 18.328 10.419 55.697 435 HD2 HIS 59 HD2 HIS 59 20.691 10.842 52.654 436 HE1 HIS 59 HE1 HIS 59 19.635 6.759 52.842 437 HE2 HIS 59 HE2 HIS 59 21.173 8.447 51.732 438 H HIS 60 HN HIS 60 17.937 13.476 53.292 439 HA HIS 60 HA HIS 60 17.224 15.127 55.422 440 HB2 HIS 60 HB2 HIS 60 17.293 15.910 52.499 441 HB3 HIS 60 HB1 HIS 60 17.493 16.981 53.886 442 HD2 HIS 60 HD2 HIS 60 19.676 15.079 55.557 443 HE1 HIS 60 HE1 HIS 60 22.023 15.462 52.069 444 HE2 HIS 60 HE2 HIS 60 22.067 14.851 54.534 445 H HIS 61 HN HIS 61 15.342 14.052 52.641 446 HA HIS 61 HA HIS 61 13.127 15.789 53.043 447 HB2 HIS 61 HB2 HIS 61 13.858 13.678 51.244 448 HB3 HIS 61 HB1 HIS 61 12.227 13.383 51.847 449 HD2 HIS 61 HD2 HIS 61 14.034 16.698 50.521 450 HE1 HIS 61 HE1 HIS 61 10.104 16.523 48.990 451 HE2 HIS 61 HE2 HIS 61 12.249 17.883 49.030 452 H HIS 62 HN HIS 62 13.081 12.248 53.425 453 HA HIS 62 HA HIS 62 10.831 12.150 55.071 454 HB2 HIS 62 HB2 HIS 62 12.418 10.282 53.903 455 HB3 HIS 62 HB1 HIS 62 12.901 10.106 55.591 456 HD2 HIS 62 HD2 HIS 62 9.948 9.148 53.307 457 HE1 HIS 62 HE1 HIS 62 8.691 8.425 57.272 458 HE2 HIS 62 HE2 HIS 62 8.117 8.068 54.824 459 H HIS 63 HN HIS 63 10.567 13.113 56.977 460 HA HIS 63 HA HIS 63 12.560 14.133 58.630 461 HB2 HIS 63 HB2 HIS 63 9.678 13.550 58.888 462 HB3 HIS 63 HB1 HIS 63 10.565 13.619 60.411 463 HD2 HIS 63 HD2 HIS 63 12.368 16.134 60.339 464 HE1 HIS 63 HE1 HIS 63 9.306 18.251 58.348 465 HE2 HIS 63 HE2 HIS 63 11.472 18.489 59.653 466 H HIS 64 HN HIS 64 13.247 13.433 60.766 467 HA HIS 64 HA HIS 64 14.345 10.857 60.798 468 HB2 HIS 64 HB2 HIS 64 14.988 11.320 63.073 469 HB3 HIS 64 HB1 HIS 64 15.126 12.822 62.158 470 HD2 HIS 64 HD2 HIS 64 12.016 13.855 62.300 471 HE1 HIS 64 HE1 HIS 64 12.405 13.410 66.480 472 HE2 HIS 64 HE2 HIS 64 11.029 14.482 64.635 Start of MODEL 22 1 H1 MET 1 HT1 MET 1 21.012 30.805 -23.505 2 H2 MET 1 HT2 MET 1 22.428 31.430 -22.804 3 H3 MET 1 HT3 MET 1 21.151 32.471 -23.220 4 HA MET 1 HA MET 1 21.596 31.248 -20.779 5 HB2 MET 1 HB2 MET 1 19.457 32.925 -22.053 6 HB3 MET 1 HB1 MET 1 19.195 32.280 -20.432 7 HG2 MET 1 HG2 MET 1 21.300 33.305 -19.671 8 HG3 MET 1 HG1 MET 1 21.587 33.934 -21.292 9 HE1 MET 1 HE1 MET 1 22.016 36.045 -20.041 10 HE2 MET 1 HE2 MET 1 20.782 37.302 -20.052 11 HE3 MET 1 HE3 MET 1 21.220 36.494 -21.555 12 H GLU 2 HN GLU 2 20.859 29.442 -19.828 13 HA GLU 2 HA GLU 2 19.916 27.341 -19.674 14 HB2 GLU 2 HB2 GLU 2 17.512 28.968 -20.537 15 HB3 GLU 2 HB1 GLU 2 17.445 27.365 -19.804 16 HG2 GLU 2 HG2 GLU 2 18.126 28.133 -17.724 17 HG3 GLU 2 HG1 GLU 2 18.989 29.512 -18.402 18 H GLU 3 HN GLU 3 21.308 27.455 -21.980 19 HA GLU 3 HA GLU 3 19.551 26.559 -24.151 20 HB2 GLU 3 HB2 GLU 3 22.493 27.234 -24.021 21 HB3 GLU 3 HB1 GLU 3 21.734 26.525 -25.448 22 HG2 GLU 3 HG2 GLU 3 20.401 28.903 -24.245 23 HG3 GLU 3 HG1 GLU 3 21.915 29.182 -25.101 24 H GLY 4 HN GLY 4 19.602 24.841 -21.959 25 HA2 GLY 4 HA2 GLY 4 19.518 22.439 -22.115 26 HA3 GLY 4 HA1 GLY 4 20.950 22.493 -23.137 27 H GLY 5 HN GLY 5 20.416 24.226 -20.098 28 HA2 GLY 5 HA2 GLY 5 22.937 23.243 -19.056 29 HA3 GLY 5 HA1 GLY 5 21.862 24.404 -18.281 30 H ASP 6 HN ASP 6 22.840 22.689 -16.573 31 HA ASP 6 HA ASP 6 21.442 20.204 -16.357 32 HB2 ASP 6 HB2 ASP 6 22.635 19.880 -14.391 33 HB3 ASP 6 HB1 ASP 6 23.696 20.979 -15.271 34 H PHE 7 HN PHE 7 19.727 19.644 -15.022 35 HA PHE 7 HA PHE 7 17.833 21.770 -14.495 36 HB2 PHE 7 HB2 PHE 7 17.695 18.777 -14.066 37 HB3 PHE 7 HB1 PHE 7 16.357 19.888 -13.771 38 HD1 PHE 7 HD1 PHE 7 15.564 21.368 -15.708 39 HD2 PHE 7 HD2 PHE 7 18.141 17.974 -16.243 40 HE1 PHE 7 HE1 PHE 7 14.973 21.299 -18.116 41 HE2 PHE 7 HE2 PHE 7 17.551 17.904 -18.651 42 HZ PHE 7 HZ PHE 7 15.967 19.567 -19.587 43 H ASP 8 HN ASP 8 19.814 22.461 -12.929 44 HA ASP 8 HA ASP 8 20.583 22.733 -10.768 45 HB2 ASP 8 HB2 ASP 8 18.880 23.381 -9.247 46 HB3 ASP 8 HB1 ASP 8 18.277 23.808 -10.847 47 H ASN 9 HN ASN 9 20.713 20.051 -11.695 48 HA ASN 9 HA ASN 9 20.750 18.683 -9.112 49 HB2 ASN 9 HB2 ASN 9 19.159 17.747 -11.498 50 HB3 ASN 9 HB1 ASN 9 19.705 16.639 -10.240 51 HD21 ASN 9 HD21 ASN 9 19.359 18.255 -7.936 52 HD22 ASN 9 HD22 ASN 9 17.706 18.594 -7.748 53 H TYR 10 HN TYR 10 22.965 19.571 -10.318 54 HA TYR 10 HA TYR 10 24.116 17.754 -12.188 55 HB2 TYR 10 HB2 TYR 10 24.768 20.230 -11.546 56 HB3 TYR 10 HB1 TYR 10 25.803 19.421 -10.368 57 HD1 TYR 10 HD1 TYR 10 24.908 19.411 -14.002 58 HD2 TYR 10 HD2 TYR 10 27.876 18.529 -11.025 59 HE1 TYR 10 HE1 TYR 10 26.550 18.905 -15.790 60 HE2 TYR 10 HE2 TYR 10 29.518 18.022 -12.813 61 HH TYR 10 HH TYR 10 29.376 17.255 -15.274 62 H TYR 11 HN TYR 11 22.997 16.310 -10.040 63 HA TYR 11 HA TYR 11 24.777 15.558 -8.018 64 HB2 TYR 11 HB2 TYR 11 23.252 13.937 -7.518 65 HB3 TYR 11 HB1 TYR 11 22.245 14.873 -8.622 66 HD1 TYR 11 HD2 TYR 11 22.356 14.251 -11.140 67 HD2 TYR 11 HD1 TYR 11 23.730 11.683 -7.982 68 HE1 TYR 11 HE2 TYR 11 22.207 12.299 -12.662 69 HE2 TYR 11 HE1 TYR 11 23.580 9.731 -9.506 70 HH TYR 11 HH TYR 11 22.187 9.173 -11.645 71 H GLY 12 HN GLY 12 26.408 14.073 -7.871 72 HA2 GLY 12 HA2 GLY 12 27.016 12.089 -9.785 73 HA3 GLY 12 HA1 GLY 12 27.987 13.520 -10.118 74 H ALA 13 HN ALA 13 26.972 12.626 -6.887 75 HA ALA 13 HA ALA 13 29.760 12.463 -6.058 76 HB1 ALA 13 HB1 ALA 13 27.188 12.313 -4.466 77 HB2 ALA 13 HB2 ALA 13 28.203 13.741 -4.674 78 HB3 ALA 13 HB3 ALA 13 28.810 12.350 -3.774 79 H ASP 14 HN ASP 14 30.133 10.463 -7.308 80 HA ASP 14 HA ASP 14 28.818 8.031 -6.554 81 HB2 ASP 14 HB2 ASP 14 31.538 8.028 -7.787 82 HB3 ASP 14 HB1 ASP 14 30.144 7.008 -8.140 83 H ASN 15 HN ASN 15 29.615 9.291 -4.226 84 HA ASN 15 HA ASN 15 31.333 7.248 -3.076 85 HB2 ASN 15 HB2 ASN 15 32.811 9.170 -3.943 86 HB3 ASN 15 HB1 ASN 15 32.110 10.125 -2.638 87 HD21 ASN 15 HD21 ASN 15 32.881 9.751 -0.509 88 HD22 ASN 15 HD22 ASN 15 34.046 8.575 -0.131 89 H GLN 16 HN GLN 16 28.739 7.418 -2.557 90 HA GLN 16 HA GLN 16 28.292 9.117 -0.221 91 HB2 GLN 16 HB2 GLN 16 25.992 8.051 -0.310 92 HB3 GLN 16 HB1 GLN 16 26.438 9.007 -1.723 93 HG2 GLN 16 HG2 GLN 16 27.043 6.066 -1.677 94 HG3 GLN 16 HG1 GLN 16 25.410 6.612 -2.056 95 HE21 GLN 16 HE21 GLN 16 25.936 8.949 -3.539 96 HE22 GLN 16 HE22 GLN 16 26.778 8.536 -4.954 97 H SER 17 HN SER 17 30.226 7.642 0.621 98 HA SER 17 HA SER 17 29.773 5.022 1.480 99 HB2 SER 17 HB2 SER 17 31.989 5.845 1.632 100 HB3 SER 17 HB1 SER 17 31.490 7.246 2.575 101 HG SER 17 HG SER 17 32.416 5.599 3.876 102 H GLU 18 HN GLU 18 29.798 4.543 3.989 103 HA GLU 18 HA GLU 18 27.253 5.543 4.986 104 HB2 GLU 18 HB2 GLU 18 27.725 3.143 5.118 105 HB3 GLU 18 HB1 GLU 18 29.152 3.467 6.104 106 HG2 GLU 18 HG2 GLU 18 27.921 3.747 7.979 107 HG3 GLU 18 HG1 GLU 18 26.741 4.759 7.148 108 H CYS 19 HN CYS 19 28.861 7.664 4.976 109 HA CYS 19 HA CYS 19 29.871 9.291 6.255 110 HB2 CYS 19 HB2 CYS 19 27.537 8.477 7.493 111 HB3 CYS 19 HB1 CYS 19 28.725 8.399 8.794 112 HG CYS 19 HG CYS 19 28.941 10.879 8.768 113 H GLU 20 HN GLU 20 31.197 6.629 6.055 114 HA GLU 20 HA GLU 20 33.018 5.530 6.925 115 HB2 GLU 20 HB2 GLU 20 33.343 8.328 7.974 116 HB3 GLU 20 HB1 GLU 20 34.490 7.064 8.422 117 HG2 GLU 20 HG2 GLU 20 35.262 8.283 6.422 118 HG3 GLU 20 HG1 GLU 20 34.917 6.597 6.041 119 H TYR 21 HN TYR 21 30.386 6.149 8.649 120 HA TYR 21 HA TYR 21 31.276 5.650 11.335 121 HB2 TYR 21 HB2 TYR 21 29.236 6.802 11.218 122 HB3 TYR 21 HB1 TYR 21 28.594 5.729 9.975 123 HD1 TYR 21 HD1 TYR 21 29.298 6.119 13.569 124 HD2 TYR 21 HD2 TYR 21 27.714 3.522 10.537 125 HE1 TYR 21 HE1 TYR 21 28.279 4.692 15.323 126 HE2 TYR 21 HE2 TYR 21 26.695 2.095 12.292 127 HH TYR 21 HH TYR 21 26.481 1.734 14.469 128 H THR 22 HN THR 22 30.932 3.717 8.604 129 HA THR 22 HA THR 22 30.178 1.286 10.016 130 HB THR 22 HB THR 22 31.063 1.749 7.156 131 HG1 THR 22 HG1 THR 22 28.769 2.148 8.464 132 HG21 THR 22 HG21 THR 22 31.537 -0.514 7.567 133 HG22 THR 22 HG22 THR 22 29.885 -0.564 6.947 134 HG23 THR 22 HG23 THR 22 30.181 -0.692 8.681 135 H ASP 23 HN ASP 23 33.064 2.833 8.744 136 HA ASP 23 HA ASP 23 34.775 0.555 9.086 137 HB2 ASP 23 HB2 ASP 23 35.063 2.726 7.614 138 HB3 ASP 23 HB1 ASP 23 35.827 3.355 9.073 139 H TRP 24 HN TRP 24 33.493 2.959 11.171 140 HA TRP 24 HA TRP 24 35.416 3.321 13.112 141 HB2 TRP 24 HB2 TRP 24 33.682 3.927 14.572 142 HB3 TRP 24 HB1 TRP 24 32.995 4.229 12.977 143 HD1 TRP 24 HD1 TRP 24 32.301 1.247 12.181 144 HE1 TRP 24 HE1 TRP 24 30.351 0.038 13.354 145 HE3 TRP 24 HE3 TRP 24 31.960 4.049 16.437 146 HZ2 TRP 24 HZ2 TRP 24 28.845 0.234 15.778 147 HZ3 TRP 24 HZ3 TRP 24 30.260 3.516 18.159 148 HH2 TRP 24 HH2 TRP 24 28.703 1.613 17.837 149 H LYS 25 HN LYS 25 33.944 0.399 12.168 150 HA LYS 25 HA LYS 25 35.343 -1.021 14.307 151 HB2 LYS 25 HB2 LYS 25 32.365 -1.110 13.865 152 HB3 LYS 25 HB1 LYS 25 33.225 -2.469 14.588 153 HG2 LYS 25 HG2 LYS 25 34.143 -0.953 16.320 154 HG3 LYS 25 HG1 LYS 25 33.236 0.385 15.613 155 HD2 LYS 25 HD2 LYS 25 31.134 -0.993 15.960 156 HD3 LYS 25 HD1 LYS 25 32.117 -2.115 16.901 157 HE2 LYS 25 HE2 LYS 25 31.906 0.849 17.492 158 HE3 LYS 25 HE1 LYS 25 30.944 -0.387 18.301 159 HZ1 LYS 25 HZ1 LYS 25 32.663 -0.402 19.722 160 HZ2 LYS 25 HZ2 LYS 25 33.750 0.269 18.602 161 HZ3 LYS 25 HZ3 LYS 25 33.399 -1.393 18.558 162 H SER 26 HN SER 26 32.832 -2.657 12.631 163 HA SER 26 HA SER 26 32.934 -4.454 11.188 164 HB2 SER 26 HB2 SER 26 33.284 -2.266 9.768 165 HB3 SER 26 HB1 SER 26 34.911 -2.905 9.556 166 HG SER 26 HG SER 26 33.318 -3.589 7.963 167 H SER 27 HN SER 27 35.098 -4.157 13.310 168 HA SER 27 HA SER 27 36.665 -6.423 12.450 169 HB2 SER 27 HB2 SER 27 38.232 -3.958 13.168 170 HB3 SER 27 HB1 SER 27 38.802 -5.444 12.414 171 HG SER 27 HG SER 27 37.847 -3.219 11.268 172 H GLY 28 HN GLY 28 34.811 -5.629 14.607 173 HA2 GLY 28 HA2 GLY 28 34.569 -6.033 16.860 174 HA3 GLY 28 HA1 GLY 28 36.113 -6.875 16.785 175 H ALA 29 HN ALA 29 36.685 -3.885 15.562 176 HA ALA 29 HA ALA 29 37.812 -2.046 16.351 177 HB1 ALA 29 HB1 ALA 29 35.428 -2.252 17.796 178 HB2 ALA 29 HB2 ALA 29 36.469 -0.833 17.678 179 HB3 ALA 29 HB3 ALA 29 36.669 -1.965 19.015 180 H LEU 30 HN LEU 30 39.913 -2.418 16.707 181 HA LEU 30 HA LEU 30 40.798 -4.189 18.828 182 HB2 LEU 30 HB2 LEU 30 42.284 -2.539 16.775 183 HB3 LEU 30 HB1 LEU 30 43.082 -3.559 17.973 184 HG LEU 30 HG LEU 30 40.905 -4.867 16.451 185 HD11 LEU 30 HD11 LEU 30 42.597 -5.286 14.555 186 HD12 LEU 30 HD12 LEU 30 43.450 -3.869 15.166 187 HD13 LEU 30 HD13 LEU 30 41.796 -3.715 14.575 188 HD21 LEU 30 HD21 LEU 30 43.759 -5.767 16.850 189 HD22 LEU 30 HD22 LEU 30 42.310 -6.756 16.675 190 HD23 LEU 30 HD23 LEU 30 42.585 -5.854 18.164 191 H ILE 31 HN ILE 31 42.242 -1.068 18.012 192 HA ILE 31 HA ILE 31 42.618 -0.492 20.819 193 HB ILE 31 HB ILE 31 43.526 0.737 18.250 194 HG12 ILE 31 HG12 ILE 31 44.662 -1.084 19.807 195 HG13 ILE 31 HG11 ILE 31 45.632 0.168 19.036 196 HG21 ILE 31 HG21 ILE 31 42.872 2.739 19.324 197 HG22 ILE 31 HG22 ILE 31 44.572 2.560 19.753 198 HG23 ILE 31 HG23 ILE 31 43.319 2.135 20.919 199 HD11 ILE 31 HD11 ILE 31 44.450 0.592 21.780 200 HD12 ILE 31 HD12 ILE 31 45.810 1.425 21.027 201 HD13 ILE 31 HD13 ILE 31 45.987 -0.243 21.569 202 HA PRO 32 HA PRO 32 39.540 3.086 19.429 203 HB2 PRO 32 HB2 PRO 32 37.613 1.370 17.961 204 HB3 PRO 32 HB1 PRO 32 38.176 3.010 17.588 205 HG2 PRO 32 HG2 PRO 32 38.972 0.891 16.175 206 HG3 PRO 32 HG1 PRO 32 40.044 2.265 16.494 207 HD2 PRO 32 HD2 PRO 32 40.027 -0.449 17.760 208 HD3 PRO 32 HD1 PRO 32 41.402 0.607 17.368 209 H ALA 33 HN ALA 33 39.036 -0.187 20.380 210 HA ALA 33 HA ALA 33 36.496 0.099 21.642 211 HB1 ALA 33 HB1 ALA 33 38.435 -1.876 22.715 212 HB2 ALA 33 HB2 ALA 33 38.009 -2.034 21.010 213 HB3 ALA 33 HB3 ALA 33 36.749 -2.090 22.243 214 H ILE 34 HN ILE 34 39.841 0.438 22.744 215 HA ILE 34 HA ILE 34 39.018 0.997 25.475 216 HB ILE 34 HB ILE 34 41.717 1.061 24.109 217 HG12 ILE 34 HG12 ILE 34 40.833 -0.822 26.281 218 HG13 ILE 34 HG11 ILE 34 40.368 -1.139 24.608 219 HG21 ILE 34 HG21 ILE 34 42.327 0.974 26.711 220 HG22 ILE 34 HG22 ILE 34 40.802 1.850 26.842 221 HG23 ILE 34 HG23 ILE 34 42.116 2.507 25.866 222 HD11 ILE 34 HD11 ILE 34 43.229 -0.478 25.195 223 HD12 ILE 34 HD12 ILE 34 42.555 -1.495 23.922 224 HD13 ILE 34 HD13 ILE 34 42.643 -2.097 25.577 225 H TYR 35 HN TYR 35 39.535 2.738 22.572 226 HA TYR 35 HA TYR 35 40.257 5.254 23.753 227 HB2 TYR 35 HB2 TYR 35 40.418 4.293 21.241 228 HB3 TYR 35 HB1 TYR 35 38.914 5.204 21.109 229 HD1 TYR 35 HD1 TYR 35 42.521 5.435 21.934 230 HD2 TYR 35 HD2 TYR 35 38.886 7.608 21.215 231 HE1 TYR 35 HE1 TYR 35 43.810 7.548 21.801 232 HE2 TYR 35 HE2 TYR 35 40.177 9.722 21.082 233 HH TYR 35 HH TYR 35 42.169 10.675 21.324 234 H MET 36 HN MET 36 37.255 3.681 22.795 235 HA MET 36 HA MET 36 35.661 6.049 23.336 236 HB2 MET 36 HB2 MET 36 34.995 3.218 22.528 237 HB3 MET 36 HB1 MET 36 33.751 4.403 22.933 238 HG2 MET 36 HG2 MET 36 34.244 5.751 21.095 239 HG3 MET 36 HG1 MET 36 35.892 5.135 20.960 240 HE1 MET 36 HE1 MET 36 36.545 3.819 19.098 241 HE2 MET 36 HE2 MET 36 35.486 5.028 18.375 242 HE3 MET 36 HE3 MET 36 35.402 3.354 17.830 243 H LEU 37 HN LEU 37 36.480 3.003 24.896 244 HA LEU 37 HA LEU 37 34.572 2.994 26.944 245 HB2 LEU 37 HB2 LEU 37 36.866 1.501 26.265 246 HB3 LEU 37 HB1 LEU 37 37.117 2.059 27.919 247 HG LEU 37 HG LEU 37 34.810 1.234 28.478 248 HD11 LEU 37 HD11 LEU 37 33.420 0.567 26.839 249 HD12 LEU 37 HD12 LEU 37 34.596 -0.625 26.286 250 HD13 LEU 37 HD13 LEU 37 34.647 1.022 25.658 251 HD21 LEU 37 HD21 LEU 37 36.851 -0.726 27.389 252 HD22 LEU 37 HD22 LEU 37 35.455 -1.212 28.352 253 HD23 LEU 37 HD23 LEU 37 36.690 -0.166 29.054 254 H VAL 38 HN VAL 38 36.795 5.354 26.296 255 HA VAL 38 HA VAL 38 36.995 6.176 29.131 256 HB VAL 38 HB VAL 38 38.750 6.859 26.764 257 HG11 VAL 38 HG11 VAL 38 38.865 8.827 27.977 258 HG12 VAL 38 HG12 VAL 38 40.086 7.880 28.827 259 HG13 VAL 38 HG13 VAL 38 38.464 8.034 29.501 260 HG21 VAL 38 HG21 VAL 38 39.173 5.266 29.310 261 HG22 VAL 38 HG22 VAL 38 40.478 5.747 28.227 262 HG23 VAL 38 HG23 VAL 38 39.218 4.654 27.656 263 H PHE 39 HN PHE 39 35.414 6.794 26.245 264 HA PHE 39 HA PHE 39 35.062 9.659 26.831 265 HB2 PHE 39 HB2 PHE 39 35.126 9.882 24.606 266 HB3 PHE 39 HB1 PHE 39 35.236 8.133 24.413 267 HD1 PHE 39 HD2 PHE 39 33.204 6.760 24.139 268 HD2 PHE 39 HD1 PHE 39 33.004 11.042 24.416 269 HE1 PHE 39 HE2 PHE 39 30.880 6.709 23.274 270 HE2 PHE 39 HE1 PHE 39 30.681 10.990 23.551 271 HZ PHE 39 HZ PHE 39 29.618 8.823 22.980 272 H LEU 40 HN LEU 40 33.459 6.598 26.935 273 HA LEU 40 HA LEU 40 30.848 7.894 27.355 274 HB2 LEU 40 HB2 LEU 40 29.919 5.613 27.145 275 HB3 LEU 40 HB1 LEU 40 30.857 6.075 25.726 276 HG LEU 40 HG LEU 40 32.778 4.943 27.348 277 HD11 LEU 40 HD11 LEU 40 30.795 4.229 28.826 278 HD12 LEU 40 HD12 LEU 40 31.916 2.960 28.336 279 HD13 LEU 40 HD13 LEU 40 30.364 3.132 27.515 280 HD21 LEU 40 HD21 LEU 40 31.027 3.691 25.211 281 HD22 LEU 40 HD22 LEU 40 32.523 2.969 25.802 282 HD23 LEU 40 HD23 LEU 40 32.563 4.522 24.968 283 H LEU 41 HN LEU 41 33.452 6.992 29.145 284 HA LEU 41 HA LEU 41 31.903 5.917 31.387 285 HB2 LEU 41 HB2 LEU 41 33.819 4.948 32.101 286 HB3 LEU 41 HB1 LEU 41 34.381 5.262 30.464 287 HG LEU 41 HG LEU 41 34.870 7.005 32.906 288 HD11 LEU 41 HD11 LEU 41 37.210 6.213 31.465 289 HD12 LEU 41 HD12 LEU 41 36.243 4.776 31.797 290 HD13 LEU 41 HD13 LEU 41 36.754 5.819 33.122 291 HD21 LEU 41 HD21 LEU 41 36.482 7.809 30.735 292 HD22 LEU 41 HD22 LEU 41 35.149 8.715 31.448 293 HD23 LEU 41 HD23 LEU 41 34.856 7.652 30.072 294 H GLY 42 HN GLY 42 32.846 8.883 30.181 295 HA2 GLY 42 HA2 GLY 42 33.011 10.140 32.841 296 HA3 GLY 42 HA1 GLY 42 33.476 10.894 31.319 297 H THR 43 HN THR 43 31.112 10.061 29.876 298 HA THR 43 HA THR 43 29.190 11.970 31.043 299 HB THR 43 HB THR 43 30.025 12.495 28.778 300 HG1 THR 43 HG1 THR 43 27.876 13.019 29.358 301 HG21 THR 43 HG21 THR 43 28.570 10.412 27.382 302 HG22 THR 43 HG22 THR 43 29.812 9.719 28.425 303 HG23 THR 43 HG23 THR 43 30.253 10.907 27.200 304 H THR 44 HN THR 44 27.276 10.789 28.970 305 HA THR 44 HA THR 44 25.357 9.518 29.220 306 HB THR 44 HB THR 44 27.598 7.505 29.473 307 HG1 THR 44 HG1 THR 44 25.916 8.116 27.287 308 HG21 THR 44 HG21 THR 44 25.549 6.093 28.447 309 HG22 THR 44 HG22 THR 44 24.641 7.206 29.471 310 HG23 THR 44 HG23 THR 44 25.877 6.166 30.178 311 H GLY 45 HN GLY 45 27.186 7.377 31.275 312 HA2 GLY 45 HA2 GLY 45 25.961 8.377 33.721 313 HA3 GLY 45 HA1 GLY 45 25.413 6.789 33.192 314 H ASN 46 HN ASN 46 27.052 5.107 32.909 315 HA ASN 46 HA ASN 46 28.629 3.791 33.979 316 HB2 ASN 46 HB2 ASN 46 29.865 6.006 32.580 317 HB3 ASN 46 HB1 ASN 46 30.866 5.476 33.930 318 HD21 ASN 46 HD21 ASN 46 29.827 4.675 30.726 319 HD22 ASN 46 HD22 ASN 46 30.568 3.150 30.642 320 H GLY 47 HN GLY 47 27.948 3.634 36.102 321 HA2 GLY 47 HA2 GLY 47 29.363 4.001 38.244 322 HA3 GLY 47 HA1 GLY 47 28.887 5.679 38.003 323 H LEU 48 HN LEU 48 26.316 5.634 37.335 324 HA LEU 48 HA LEU 48 25.027 4.430 39.693 325 HB2 LEU 48 HB2 LEU 48 24.678 6.924 38.178 326 HB3 LEU 48 HB1 LEU 48 23.164 6.111 38.566 327 HG LEU 48 HG LEU 48 23.933 7.739 40.328 328 HD11 LEU 48 HD11 LEU 48 22.982 5.062 40.636 329 HD12 LEU 48 HD12 LEU 48 22.708 6.444 41.695 330 HD13 LEU 48 HD13 LEU 48 24.100 5.395 41.958 331 HD21 LEU 48 HD21 LEU 48 25.981 7.585 41.310 332 HD22 LEU 48 HD22 LEU 48 26.409 6.656 39.874 333 HD23 LEU 48 HD23 LEU 48 25.931 5.822 41.352 334 H VAL 49 HN VAL 49 25.378 3.987 36.375 335 HA VAL 49 HA VAL 49 22.731 2.929 35.859 336 HB VAL 49 HB VAL 49 25.298 2.996 34.271 337 HG11 VAL 49 HG11 VAL 49 24.432 1.047 33.388 338 HG12 VAL 49 HG12 VAL 49 23.510 2.215 32.443 339 HG13 VAL 49 HG13 VAL 49 22.778 1.447 33.853 340 HG21 VAL 49 HG21 VAL 49 22.655 4.140 33.437 341 HG22 VAL 49 HG22 VAL 49 24.284 4.711 33.073 342 HG23 VAL 49 HG23 VAL 49 23.588 4.989 34.670 343 H LEU 50 HN LEU 50 25.969 1.439 35.656 344 HA LEU 50 HA LEU 50 25.200 -1.205 35.569 345 HB2 LEU 50 HB2 LEU 50 27.475 -1.249 37.189 346 HB3 LEU 50 HB1 LEU 50 27.433 -1.359 35.432 347 HG LEU 50 HG LEU 50 27.635 1.077 35.246 348 HD11 LEU 50 HD11 LEU 50 26.888 0.934 38.054 349 HD12 LEU 50 HD12 LEU 50 26.890 2.330 36.976 350 HD13 LEU 50 HD13 LEU 50 28.360 1.880 37.840 351 HD21 LEU 50 HD21 LEU 50 29.858 0.754 35.342 352 HD22 LEU 50 HD22 LEU 50 29.596 -0.693 36.315 353 HD23 LEU 50 HD23 LEU 50 29.809 0.872 37.101 354 H TRP 51 HN TRP 51 24.714 0.979 38.106 355 HA TRP 51 HA TRP 51 24.822 -0.827 40.318 356 HB2 TRP 51 HB2 TRP 51 24.699 1.152 41.362 357 HB3 TRP 51 HB1 TRP 51 24.207 1.957 39.872 358 HD1 TRP 51 HD1 TRP 51 21.541 1.897 39.292 359 HE1 TRP 51 HE1 TRP 51 19.508 1.881 40.878 360 HE3 TRP 51 HE3 TRP 51 23.808 0.405 43.618 361 HZ2 TRP 51 HZ2 TRP 51 18.922 1.310 43.619 362 HZ3 TRP 51 HZ3 TRP 51 22.491 0.134 45.699 363 HH2 TRP 51 HH2 TRP 51 20.052 0.583 45.705 364 H THR 52 HN THR 52 22.276 0.249 38.115 365 HA THR 52 HA THR 52 20.129 -1.028 39.485 366 HB THR 52 HB THR 52 20.084 0.826 37.645 367 HG1 THR 52 HG1 THR 52 18.098 -0.828 36.944 368 HG21 THR 52 HG21 THR 52 19.688 -1.563 35.857 369 HG22 THR 52 HG22 THR 52 21.287 -0.847 36.055 370 HG23 THR 52 HG23 THR 52 19.962 0.121 35.408 371 H VAL 53 HN VAL 53 22.558 -2.115 37.258 372 HA VAL 53 HA VAL 53 21.192 -4.488 36.400 373 HB VAL 53 HB VAL 53 24.094 -3.646 36.308 374 HG11 VAL 53 HG11 VAL 53 22.724 -6.203 35.536 375 HG12 VAL 53 HG12 VAL 53 24.317 -5.964 36.256 376 HG13 VAL 53 HG13 VAL 53 24.060 -5.614 34.547 377 HG21 VAL 53 HG21 VAL 53 22.601 -2.376 34.845 378 HG22 VAL 53 HG22 VAL 53 21.893 -3.869 34.228 379 HG23 VAL 53 HG23 VAL 53 23.575 -3.475 33.868 380 H PHE 54 HN PHE 54 24.000 -3.995 38.555 381 HA PHE 54 HA PHE 54 24.230 -6.593 39.504 382 HB2 PHE 54 HB2 PHE 54 25.231 -3.994 40.231 383 HB3 PHE 54 HB1 PHE 54 24.801 -4.896 41.685 384 HD1 PHE 54 HD1 PHE 54 25.626 -7.348 41.847 385 HD2 PHE 54 HD2 PHE 54 27.235 -4.469 39.096 386 HE1 PHE 54 HE1 PHE 54 27.671 -8.728 41.598 387 HE2 PHE 54 HE2 PHE 54 29.280 -5.849 38.846 388 HZ PHE 54 HZ PHE 54 29.499 -7.979 40.098 389 H ARG 55 HN ARG 55 21.646 -4.471 39.909 390 HA ARG 55 HA ARG 55 20.783 -5.592 42.470 391 HB2 ARG 55 HB2 ARG 55 19.656 -3.450 40.662 392 HB3 ARG 55 HB1 ARG 55 18.813 -4.034 42.097 393 HG2 ARG 55 HG2 ARG 55 21.621 -3.403 42.626 394 HG3 ARG 55 HG1 ARG 55 20.708 -2.006 42.053 395 HD2 ARG 55 HD2 ARG 55 20.630 -2.269 44.539 396 HD3 ARG 55 HD1 ARG 55 19.038 -2.317 43.787 397 HE ARG 55 HE ARG 55 19.988 -4.955 43.970 398 HH11 ARG 55 HH21 ARG 55 19.042 -2.306 45.988 399 HH12 ARG 55 HH22 ARG 55 18.488 -3.313 47.284 400 HH21 ARG 55 HH11 ARG 55 19.264 -6.280 45.666 401 HH22 ARG 55 HH12 ARG 55 18.614 -5.563 47.103 402 H LYS 56 HN LYS 56 19.338 -5.185 39.226 403 HA LYS 56 HA LYS 56 17.173 -6.903 39.572 404 HB2 LYS 56 HB2 LYS 56 18.733 -6.448 37.017 405 HB3 LYS 56 HB1 LYS 56 17.069 -7.019 37.141 406 HG2 LYS 56 HG2 LYS 56 17.355 -4.598 38.670 407 HG3 LYS 56 HG1 LYS 56 17.963 -4.331 37.035 408 HD2 LYS 56 HD2 LYS 56 15.858 -5.283 36.120 409 HD3 LYS 56 HD1 LYS 56 15.247 -5.465 37.765 410 HE2 LYS 56 HE2 LYS 56 15.832 -2.911 37.966 411 HE3 LYS 56 HE1 LYS 56 15.752 -2.950 36.203 412 HZ1 LYS 56 HZ1 LYS 56 13.577 -2.621 36.578 413 HZ2 LYS 56 HZ2 LYS 56 13.634 -3.227 38.164 414 HZ3 LYS 56 HZ3 LYS 56 13.545 -4.296 36.846 415 H LYS 57 HN LYS 57 20.376 -7.643 38.183 416 HA LYS 57 HA LYS 57 19.807 -10.462 38.008 417 HB2 LYS 57 HB2 LYS 57 22.277 -8.785 37.592 418 HB3 LYS 57 HB1 LYS 57 22.333 -10.547 37.538 419 HG2 LYS 57 HG2 LYS 57 22.006 -9.590 35.280 420 HG3 LYS 57 HG1 LYS 57 20.620 -10.563 35.773 421 HD2 LYS 57 HD2 LYS 57 19.271 -8.685 36.157 422 HD3 LYS 57 HD1 LYS 57 20.656 -7.606 36.322 423 HE2 LYS 57 HE2 LYS 57 20.894 -7.338 34.058 424 HE3 LYS 57 HE1 LYS 57 20.367 -8.984 33.704 425 HZ1 LYS 57 HZ1 LYS 57 18.307 -8.280 33.373 426 HZ2 LYS 57 HZ2 LYS 57 18.870 -6.681 33.494 427 HZ3 LYS 57 HZ3 LYS 57 18.264 -7.477 34.867 428 H GLY 58 HN GLY 58 19.250 -9.782 40.571 429 HA2 GLY 58 HA2 GLY 58 21.587 -10.512 42.199 430 HA3 GLY 58 HA1 GLY 58 20.071 -9.852 42.806 431 H HIS 59 HN HIS 59 18.331 -11.218 43.198 432 HA HIS 59 HA HIS 59 19.021 -14.081 43.300 433 HB2 HIS 59 HB2 HIS 59 17.522 -12.261 45.022 434 HB3 HIS 59 HB1 HIS 59 16.640 -13.748 44.673 435 HD2 HIS 59 HD2 HIS 59 20.564 -13.469 45.288 436 HE1 HIS 59 HE1 HIS 59 18.905 -16.131 48.113 437 HE2 HIS 59 HE2 HIS 59 21.068 -15.125 47.243 438 H HIS 60 HN HIS 60 15.852 -12.504 43.172 439 HA HIS 60 HA HIS 60 15.292 -13.856 40.633 440 HB2 HIS 60 HB2 HIS 60 14.259 -14.647 43.175 441 HB3 HIS 60 HB1 HIS 60 12.936 -13.985 42.214 442 HD2 HIS 60 HD2 HIS 60 11.971 -15.751 40.315 443 HE1 HIS 60 HE1 HIS 60 15.227 -18.440 40.306 444 HE2 HIS 60 HE2 HIS 60 12.903 -18.003 39.376 445 H HIS 61 HN HIS 61 13.187 -13.077 39.683 446 HA HIS 61 HA HIS 61 13.056 -10.166 39.989 447 HB2 HIS 61 HB2 HIS 61 12.793 -11.995 37.800 448 HB3 HIS 61 HB1 HIS 61 11.299 -11.071 37.953 449 HD2 HIS 61 HD2 HIS 61 15.033 -9.752 38.441 450 HE1 HIS 61 HE1 HIS 61 13.052 -7.325 35.611 451 HE2 HIS 61 HE2 HIS 61 15.216 -7.652 36.900 452 H HIS 62 HN HIS 62 11.465 -9.195 41.065 453 HA HIS 62 HA HIS 62 9.481 -10.564 42.491 454 HB2 HIS 62 HB2 HIS 62 10.392 -8.140 42.765 455 HB3 HIS 62 HB1 HIS 62 9.120 -7.710 41.621 456 HD2 HIS 62 HD2 HIS 62 9.439 -9.099 45.298 457 HE1 HIS 62 HE1 HIS 62 5.395 -8.114 44.593 458 HE2 HIS 62 HE2 HIS 62 7.065 -8.857 46.356 459 H HIS 63 HN HIS 63 8.143 -11.896 41.361 460 HA HIS 63 HA HIS 63 6.021 -10.691 39.850 461 HB2 HIS 63 HB2 HIS 63 7.420 -10.768 37.968 462 HB3 HIS 63 HB1 HIS 63 8.151 -12.295 38.462 463 HD2 HIS 63 HD2 HIS 63 4.232 -11.940 38.372 464 HE1 HIS 63 HE1 HIS 63 5.393 -14.552 35.266 465 HE2 HIS 63 HE2 HIS 63 3.408 -13.582 36.517 466 H HIS 64 HN HIS 64 4.862 -11.695 41.576 467 HA HIS 64 HA HIS 64 3.667 -13.382 42.584 468 HB2 HIS 64 HB2 HIS 64 3.821 -14.128 39.704 469 HB3 HIS 64 HB1 HIS 64 3.222 -15.344 40.831 470 HD2 HIS 64 HD2 HIS 64 0.587 -14.951 41.617 471 HE1 HIS 64 HE1 HIS 64 0.141 -11.014 40.161 472 HE2 HIS 64 HE2 HIS 64 -1.071 -12.971 41.235 Start of MODEL 23 1 H1 MET 1 HT1 MET 1 53.446 -23.397 27.591 2 H2 MET 1 HT2 MET 1 54.694 -24.369 28.210 3 H3 MET 1 HT3 MET 1 55.051 -22.851 27.535 4 HA MET 1 HA MET 1 53.228 -22.265 29.473 5 HB2 MET 1 HB2 MET 1 55.259 -24.241 30.553 6 HB3 MET 1 HB1 MET 1 54.007 -23.401 31.469 7 HG2 MET 1 HG2 MET 1 52.829 -25.326 31.102 8 HG3 MET 1 HG1 MET 1 52.486 -24.567 29.547 9 HE1 MET 1 HE1 MET 1 54.685 -26.666 31.640 10 HE2 MET 1 HE2 MET 1 55.310 -27.951 30.610 11 HE3 MET 1 HE3 MET 1 53.598 -27.918 31.022 12 H GLU 2 HN GLU 2 56.651 -22.975 28.861 13 HA GLU 2 HA GLU 2 57.332 -20.182 29.201 14 HB2 GLU 2 HB2 GLU 2 59.244 -21.128 30.852 15 HB3 GLU 2 HB1 GLU 2 57.718 -20.458 31.431 16 HG2 GLU 2 HG2 GLU 2 56.739 -22.649 31.625 17 HG3 GLU 2 HG1 GLU 2 58.110 -23.394 30.803 18 H GLU 3 HN GLU 3 58.667 -19.775 27.570 19 HA GLU 3 HA GLU 3 60.405 -19.969 26.077 20 HB2 GLU 3 HB2 GLU 3 61.462 -20.975 28.318 21 HB3 GLU 3 HB1 GLU 3 61.454 -22.448 27.348 22 HG2 GLU 3 HG2 GLU 3 62.710 -19.798 26.575 23 HG3 GLU 3 HG1 GLU 3 63.572 -21.269 27.026 24 H GLY 4 HN GLY 4 59.489 -20.527 24.184 25 HA2 GLY 4 HA2 GLY 4 59.851 -22.698 22.733 26 HA3 GLY 4 HA1 GLY 4 58.543 -23.270 23.764 27 H GLY 5 HN GLY 5 57.274 -20.636 23.930 28 HA2 GLY 5 HA2 GLY 5 55.707 -19.364 22.823 29 HA3 GLY 5 HA1 GLY 5 56.633 -19.642 21.352 30 H ASP 6 HN ASP 6 55.460 -20.557 19.803 31 HA ASP 6 HA ASP 6 53.834 -22.900 20.390 32 HB2 ASP 6 HB2 ASP 6 52.457 -20.674 20.630 33 HB3 ASP 6 HB1 ASP 6 52.478 -20.707 18.867 34 H PHE 7 HN PHE 7 53.106 -23.987 18.427 35 HA PHE 7 HA PHE 7 54.408 -23.127 15.942 36 HB2 PHE 7 HB2 PHE 7 54.860 -25.807 17.271 37 HB3 PHE 7 HB1 PHE 7 55.306 -25.437 15.606 38 HD1 PHE 7 HD1 PHE 7 56.830 -23.381 15.213 39 HD2 PHE 7 HD2 PHE 7 56.322 -25.271 19.036 40 HE1 PHE 7 HE1 PHE 7 58.941 -22.347 16.004 41 HE2 PHE 7 HE2 PHE 7 58.432 -24.237 19.827 42 HZ PHE 7 HZ PHE 7 59.741 -22.775 18.312 43 H ASP 8 HN ASP 8 51.999 -22.724 15.710 44 HA ASP 8 HA ASP 8 50.853 -24.962 14.248 45 HB2 ASP 8 HB2 ASP 8 49.598 -23.831 16.746 46 HB3 ASP 8 HB1 ASP 8 48.643 -24.640 15.504 47 H ASN 9 HN ASN 9 51.700 -22.887 12.946 48 HA ASN 9 HA ASN 9 49.257 -21.455 12.185 49 HB2 ASN 9 HB2 ASN 9 50.671 -20.072 13.827 50 HB3 ASN 9 HB1 ASN 9 51.844 -19.948 12.517 51 HD21 ASN 9 HD21 ASN 9 51.496 -17.680 12.104 52 HD22 ASN 9 HD22 ASN 9 50.033 -17.090 11.479 53 H TYR 10 HN TYR 10 50.356 -23.568 10.824 54 HA TYR 10 HA TYR 10 52.294 -22.978 8.891 55 HB2 TYR 10 HB2 TYR 10 49.917 -24.845 8.765 56 HB3 TYR 10 HB1 TYR 10 51.218 -24.816 7.576 57 HD1 TYR 10 HD2 TYR 10 53.574 -25.319 8.293 58 HD2 TYR 10 HD1 TYR 10 50.208 -25.878 10.901 59 HE1 TYR 10 HE2 TYR 10 54.952 -26.765 9.763 60 HE2 TYR 10 HE1 TYR 10 51.586 -27.324 12.372 61 HH TYR 10 HH TYR 10 53.532 -28.470 12.518 62 H TYR 11 HN TYR 11 51.755 -20.744 8.357 63 HA TYR 11 HA TYR 11 49.383 -19.918 7.118 64 HB2 TYR 11 HB2 TYR 11 50.543 -17.974 6.495 65 HB3 TYR 11 HB1 TYR 11 51.401 -18.518 7.936 66 HD1 TYR 11 HD1 TYR 11 53.536 -19.834 7.689 67 HD2 TYR 11 HD2 TYR 11 51.618 -17.904 4.365 68 HE1 TYR 11 HE1 TYR 11 55.635 -20.005 6.379 69 HE2 TYR 11 HE2 TYR 11 53.716 -18.076 3.054 70 HH TYR 11 HH TYR 11 56.046 -20.043 3.566 71 H GLY 12 HN GLY 12 48.530 -20.262 5.164 72 HA2 GLY 12 HA2 GLY 12 50.044 -21.876 3.242 73 HA3 GLY 12 HA1 GLY 12 48.308 -21.584 3.215 74 H ALA 13 HN ALA 13 47.685 -20.374 1.554 75 HA ALA 13 HA ALA 13 48.826 -17.828 0.977 76 HB1 ALA 13 HB1 ALA 13 50.570 -19.308 -0.024 77 HB2 ALA 13 HB2 ALA 13 49.771 -18.275 -1.208 78 HB3 ALA 13 HB3 ALA 13 49.335 -19.980 -1.088 79 H ASP 14 HN ASP 14 46.284 -18.398 1.555 80 HA ASP 14 HA ASP 14 44.914 -17.955 -1.013 81 HB2 ASP 14 HB2 ASP 14 44.017 -19.886 1.139 82 HB3 ASP 14 HB1 ASP 14 43.044 -19.403 -0.249 83 H ASN 15 HN ASN 15 45.693 -15.980 0.784 84 HA ASN 15 HA ASN 15 43.063 -15.013 1.678 85 HB2 ASN 15 HB2 ASN 15 43.646 -14.722 3.852 86 HB3 ASN 15 HB1 ASN 15 44.800 -16.009 3.510 87 HD21 ASN 15 HD21 ASN 15 46.892 -14.911 2.259 88 HD22 ASN 15 HD22 ASN 15 47.534 -13.584 3.101 89 H GLN 16 HN GLN 16 45.340 -14.525 -0.419 90 HA GLN 16 HA GLN 16 46.425 -11.975 -0.004 91 HB2 GLN 16 HB2 GLN 16 46.670 -13.833 -1.954 92 HB3 GLN 16 HB1 GLN 16 45.636 -12.662 -2.774 93 HG2 GLN 16 HG2 GLN 16 47.826 -11.916 -3.252 94 HG3 GLN 16 HG1 GLN 16 47.303 -10.882 -1.924 95 HE21 GLN 16 HE21 GLN 16 47.696 -13.787 -0.444 96 HE22 GLN 16 HE22 GLN 16 49.327 -13.670 0.012 97 H SER 17 HN SER 17 43.226 -12.792 -0.146 98 HA SER 17 HA SER 17 42.348 -10.351 -1.509 99 HB2 SER 17 HB2 SER 17 41.250 -12.664 -1.801 100 HB3 SER 17 HB1 SER 17 40.558 -12.393 -0.205 101 HG SER 17 HG SER 17 40.337 -10.222 -1.836 102 H GLU 18 HN GLU 18 42.985 -8.749 -0.047 103 HA GLU 18 HA GLU 18 41.188 -8.411 2.215 104 HB2 GLU 18 HB2 GLU 18 43.837 -9.410 2.595 105 HB3 GLU 18 HB1 GLU 18 43.769 -7.764 3.228 106 HG2 GLU 18 HG2 GLU 18 41.813 -8.325 4.578 107 HG3 GLU 18 HG1 GLU 18 41.773 -9.949 3.891 108 H CYS 19 HN CYS 19 41.675 -6.233 3.308 109 HA CYS 19 HA CYS 19 43.177 -4.202 2.190 110 HB2 CYS 19 HB2 CYS 19 40.810 -4.877 0.589 111 HB3 CYS 19 HB1 CYS 19 40.909 -3.172 1.031 112 HG CYS 19 HG CYS 19 43.539 -4.308 -0.075 113 H GLU 20 HN GLU 20 40.247 -5.234 3.750 114 HA GLU 20 HA GLU 20 40.512 -3.359 5.858 115 HB2 GLU 20 HB2 GLU 20 38.351 -2.115 5.387 116 HB3 GLU 20 HB1 GLU 20 39.715 -1.682 4.354 117 HG2 GLU 20 HG2 GLU 20 38.882 -3.199 2.602 118 HG3 GLU 20 HG1 GLU 20 37.523 -3.648 3.632 119 H TYR 21 HN TYR 21 38.505 -5.576 4.027 120 HA TYR 21 HA TYR 21 36.414 -6.061 5.766 121 HB2 TYR 21 HB2 TYR 21 35.973 -7.564 4.168 122 HB3 TYR 21 HB1 TYR 21 37.606 -7.380 3.529 123 HD1 TYR 21 HD1 TYR 21 39.498 -8.713 4.627 124 HD2 TYR 21 HD2 TYR 21 35.338 -9.530 5.321 125 HE1 TYR 21 HE1 TYR 21 40.081 -10.974 5.461 126 HE2 TYR 21 HE2 TYR 21 35.921 -11.791 6.155 127 HH TYR 21 HH TYR 21 38.861 -13.237 5.639 128 H THR 22 HN THR 22 39.700 -6.443 6.397 129 HA THR 22 HA THR 22 39.261 -8.503 8.451 130 HB THR 22 HB THR 22 41.821 -7.262 7.413 131 HG1 THR 22 HG1 THR 22 40.245 -9.368 6.662 132 HG21 THR 22 HG21 THR 22 42.352 -7.942 9.585 133 HG22 THR 22 HG22 THR 22 42.716 -9.390 8.646 134 HG23 THR 22 HG23 THR 22 41.206 -9.282 9.551 135 H ASP 23 HN ASP 23 40.226 -5.140 8.025 136 HA ASP 23 HA ASP 23 40.355 -4.814 10.956 137 HB2 ASP 23 HB2 ASP 23 41.435 -2.612 10.378 138 HB3 ASP 23 HB1 ASP 23 42.357 -4.035 9.898 139 H TRP 24 HN TRP 24 37.866 -5.045 9.442 140 HA TRP 24 HA TRP 24 36.612 -2.643 8.863 141 HB2 TRP 24 HB2 TRP 24 34.532 -3.990 9.877 142 HB3 TRP 24 HB1 TRP 24 35.246 -4.394 8.320 143 HD1 TRP 24 HD1 TRP 24 36.953 -5.235 11.644 144 HE1 TRP 24 HE1 TRP 24 37.096 -7.798 11.868 145 HE3 TRP 24 HE3 TRP 24 34.198 -6.629 7.576 146 HZ2 TRP 24 HZ2 TRP 24 36.167 -10.133 10.501 147 HZ3 TRP 24 HZ3 TRP 24 33.844 -9.027 7.060 148 HH2 TRP 24 HH2 TRP 24 34.824 -10.779 8.516 149 H LYS 25 HN LYS 25 35.229 -4.152 11.669 150 HA LYS 25 HA LYS 25 35.561 -1.619 13.141 151 HB2 LYS 25 HB2 LYS 25 33.679 -2.759 14.577 152 HB3 LYS 25 HB1 LYS 25 33.277 -2.014 13.034 153 HG2 LYS 25 HG2 LYS 25 32.263 -4.270 13.273 154 HG3 LYS 25 HG1 LYS 25 33.385 -4.190 11.916 155 HD2 LYS 25 HD2 LYS 25 35.066 -5.377 13.088 156 HD3 LYS 25 HD1 LYS 25 34.286 -5.105 14.647 157 HE2 LYS 25 HE2 LYS 25 32.964 -6.691 12.441 158 HE3 LYS 25 HE1 LYS 25 34.010 -7.444 13.644 159 HZ1 LYS 25 HZ1 LYS 25 31.985 -5.672 14.708 160 HZ2 LYS 25 HZ2 LYS 25 32.487 -7.202 15.250 161 HZ3 LYS 25 HZ3 LYS 25 31.384 -7.072 13.964 162 H SER 26 HN SER 26 37.628 -3.685 12.962 163 HA SER 26 HA SER 26 37.881 -4.272 15.846 164 HB2 SER 26 HB2 SER 26 37.970 -6.137 13.565 165 HB3 SER 26 HB1 SER 26 39.301 -6.300 14.706 166 HG SER 26 HG SER 26 36.990 -7.323 15.006 167 H SER 27 HN SER 27 39.788 -4.463 12.826 168 HA SER 27 HA SER 27 41.953 -3.828 12.369 169 HB2 SER 27 HB2 SER 27 41.235 -1.611 14.301 170 HB3 SER 27 HB1 SER 27 42.590 -1.592 13.176 171 HG SER 27 HG SER 27 40.983 -0.599 12.094 172 H GLY 28 HN GLY 28 41.641 -5.785 14.408 173 HA2 GLY 28 HA2 GLY 28 43.132 -6.926 15.777 174 HA3 GLY 28 HA1 GLY 28 44.222 -5.544 15.690 175 H ALA 29 HN ALA 29 41.209 -4.396 16.433 176 HA ALA 29 HA ALA 29 40.490 -3.295 18.341 177 HB1 ALA 29 HB1 ALA 29 39.456 -5.482 18.602 178 HB2 ALA 29 HB2 ALA 29 39.967 -4.883 20.179 179 HB3 ALA 29 HB3 ALA 29 40.921 -6.115 19.353 180 H LEU 30 HN LEU 30 42.813 -2.282 18.159 181 HA LEU 30 HA LEU 30 44.029 -2.545 20.834 182 HB2 LEU 30 HB2 LEU 30 45.440 -2.558 18.167 183 HB3 LEU 30 HB1 LEU 30 46.263 -2.099 19.659 184 HG LEU 30 HG LEU 30 44.691 -4.585 19.861 185 HD11 LEU 30 HD11 LEU 30 47.120 -4.398 18.055 186 HD12 LEU 30 HD12 LEU 30 45.494 -4.894 17.584 187 HD13 LEU 30 HD13 LEU 30 46.448 -5.911 18.664 188 HD21 LEU 30 HD21 LEU 30 46.541 -5.262 21.196 189 HD22 LEU 30 HD22 LEU 30 46.357 -3.539 21.523 190 HD23 LEU 30 HD23 LEU 30 47.621 -4.099 20.428 191 H ILE 31 HN ILE 31 42.138 -0.659 20.156 192 HA ILE 31 HA ILE 31 43.182 1.726 21.007 193 HB ILE 31 HB ILE 31 43.841 1.315 18.219 194 HG12 ILE 31 HG12 ILE 31 45.299 2.254 20.022 195 HG13 ILE 31 HG11 ILE 31 45.215 3.289 18.602 196 HG21 ILE 31 HG21 ILE 31 41.727 2.433 17.667 197 HG22 ILE 31 HG22 ILE 31 43.081 3.509 17.351 198 HG23 ILE 31 HG23 ILE 31 42.099 3.742 18.790 199 HD11 ILE 31 HD11 ILE 31 44.646 4.002 21.274 200 HD12 ILE 31 HD12 ILE 31 43.090 3.975 20.446 201 HD13 ILE 31 HD13 ILE 31 44.398 4.986 19.833 202 HA PRO 32 HA PRO 32 38.819 2.352 18.989 203 HB2 PRO 32 HB2 PRO 32 37.930 -0.396 18.433 204 HB3 PRO 32 HB1 PRO 32 37.899 1.029 17.379 205 HG2 PRO 32 HG2 PRO 32 39.566 -1.042 16.970 206 HG3 PRO 32 HG1 PRO 32 39.987 0.628 16.550 207 HD2 PRO 32 HD2 PRO 32 40.857 -0.997 18.917 208 HD3 PRO 32 HD1 PRO 32 41.796 0.151 17.935 209 H ALA 33 HN ALA 33 39.715 -0.367 20.981 210 HA ALA 33 HA ALA 33 37.206 -0.485 22.412 211 HB1 ALA 33 HB1 ALA 33 38.030 -2.510 22.900 212 HB2 ALA 33 HB2 ALA 33 39.237 -1.733 23.924 213 HB3 ALA 33 HB3 ALA 33 39.601 -2.070 22.232 214 H ILE 34 HN ILE 34 40.406 0.921 22.890 215 HA ILE 34 HA ILE 34 39.731 1.883 25.552 216 HB ILE 34 HB ILE 34 42.129 2.945 24.193 217 HG12 ILE 34 HG12 ILE 34 41.644 -0.008 24.626 218 HG13 ILE 34 HG11 ILE 34 42.253 0.795 23.179 219 HG21 ILE 34 HG21 ILE 34 41.934 1.368 26.757 220 HG22 ILE 34 HG22 ILE 34 41.420 3.054 26.684 221 HG23 ILE 34 HG23 ILE 34 43.093 2.624 26.326 222 HD11 ILE 34 HD11 ILE 34 44.174 1.585 24.826 223 HD12 ILE 34 HD12 ILE 34 44.239 -0.006 24.070 224 HD13 ILE 34 HD13 ILE 34 43.678 0.158 25.734 225 H TYR 35 HN TYR 35 38.661 2.783 22.683 226 HA TYR 35 HA TYR 35 39.083 5.671 22.967 227 HB2 TYR 35 HB2 TYR 35 38.706 3.939 20.765 228 HB3 TYR 35 HB1 TYR 35 37.276 4.968 20.844 229 HD1 TYR 35 HD2 TYR 35 41.013 5.080 20.911 230 HD2 TYR 35 HD1 TYR 35 37.367 7.208 20.115 231 HE1 TYR 35 HE2 TYR 35 42.319 6.969 19.977 232 HE2 TYR 35 HE1 TYR 35 38.674 9.098 19.181 233 HH TYR 35 HH TYR 35 41.169 9.971 19.563 234 H MET 36 HN MET 36 36.381 3.363 22.690 235 HA MET 36 HA MET 36 34.420 5.334 23.430 236 HB2 MET 36 HB2 MET 36 34.336 2.342 23.048 237 HB3 MET 36 HB1 MET 36 32.931 3.264 23.587 238 HG2 MET 36 HG2 MET 36 34.298 4.437 21.264 239 HG3 MET 36 HG1 MET 36 33.609 2.844 20.956 240 HE1 MET 36 HE1 MET 36 31.563 6.745 20.902 241 HE2 MET 36 HE2 MET 36 32.894 6.039 19.989 242 HE3 MET 36 HE3 MET 36 33.136 6.501 21.672 243 H LEU 37 HN LEU 37 36.184 2.755 25.060 244 HA LEU 37 HA LEU 37 34.767 2.588 27.440 245 HB2 LEU 37 HB2 LEU 37 36.648 1.102 26.862 246 HB3 LEU 37 HB1 LEU 37 37.771 2.445 27.054 247 HG LEU 37 HG LEU 37 37.133 2.648 29.434 248 HD11 LEU 37 HD11 LEU 37 34.942 1.926 29.687 249 HD12 LEU 37 HD12 LEU 37 35.808 0.494 30.246 250 HD13 LEU 37 HD13 LEU 37 35.162 0.550 28.606 251 HD21 LEU 37 HD21 LEU 37 38.594 0.555 28.224 252 HD22 LEU 37 HD22 LEU 37 37.653 -0.193 29.514 253 HD23 LEU 37 HD23 LEU 37 38.746 1.142 29.879 254 H VAL 38 HN VAL 38 36.707 5.161 26.207 255 HA VAL 38 HA VAL 38 36.626 6.541 28.822 256 HB VAL 38 HB VAL 38 38.313 7.422 26.495 257 HG11 VAL 38 HG11 VAL 38 37.832 8.544 28.921 258 HG12 VAL 38 HG12 VAL 38 39.354 8.737 28.052 259 HG13 VAL 38 HG13 VAL 38 39.211 7.523 29.321 260 HG21 VAL 38 HG21 VAL 38 38.863 5.067 26.786 261 HG22 VAL 38 HG22 VAL 38 38.958 5.271 28.535 262 HG23 VAL 38 HG23 VAL 38 40.154 6.040 27.492 263 H PHE 39 HN PHE 39 34.863 6.304 26.116 264 HA PHE 39 HA PHE 39 34.292 9.196 25.922 265 HB2 PHE 39 HB2 PHE 39 34.863 7.595 23.874 266 HB3 PHE 39 HB1 PHE 39 33.139 7.237 23.992 267 HD1 PHE 39 HD2 PHE 39 35.558 10.085 23.815 268 HD2 PHE 39 HD1 PHE 39 31.548 8.724 23.098 269 HE1 PHE 39 HE2 PHE 39 35.033 12.228 22.683 270 HE2 PHE 39 HE1 PHE 39 31.023 10.866 21.965 271 HZ PHE 39 HZ PHE 39 32.766 12.618 21.758 272 H LEU 40 HN LEU 40 33.285 6.658 27.637 273 HA LEU 40 HA LEU 40 30.587 7.746 27.920 274 HB2 LEU 40 HB2 LEU 40 29.553 5.505 27.788 275 HB3 LEU 40 HB1 LEU 40 30.287 5.978 26.256 276 HG LEU 40 HG LEU 40 32.382 4.735 27.562 277 HD11 LEU 40 HD11 LEU 40 29.827 3.195 28.117 278 HD12 LEU 40 HD12 LEU 40 30.838 3.966 29.338 279 HD13 LEU 40 HD13 LEU 40 31.464 2.608 28.403 280 HD21 LEU 40 HD21 LEU 40 31.954 2.890 25.969 281 HD22 LEU 40 HD22 LEU 40 31.727 4.461 25.199 282 HD23 LEU 40 HD23 LEU 40 30.326 3.510 25.694 283 H LEU 41 HN LEU 41 33.363 6.181 29.120 284 HA LEU 41 HA LEU 41 32.671 4.816 31.361 285 HB2 LEU 41 HB2 LEU 41 34.975 6.193 30.456 286 HB3 LEU 41 HB1 LEU 41 34.710 6.684 32.129 287 HG LEU 41 HG LEU 41 34.780 3.813 31.152 288 HD11 LEU 41 HD11 LEU 41 36.809 5.445 32.711 289 HD12 LEU 41 HD12 LEU 41 36.999 4.865 31.056 290 HD13 LEU 41 HD13 LEU 41 36.929 3.715 32.391 291 HD21 LEU 41 HD21 LEU 41 33.821 3.336 33.135 292 HD22 LEU 41 HD22 LEU 41 33.774 5.052 33.543 293 HD23 LEU 41 HD23 LEU 41 35.191 4.087 33.955 294 H GLY 42 HN GLY 42 32.692 8.347 31.004 295 HA2 GLY 42 HA2 GLY 42 30.540 8.830 32.710 296 HA3 GLY 42 HA1 GLY 42 31.998 8.946 33.690 297 H THR 43 HN THR 43 31.904 9.795 30.287 298 HA THR 43 HA THR 43 32.431 12.606 31.034 299 HB THR 43 HB THR 43 34.265 12.139 29.768 300 HG1 THR 43 HG1 THR 43 32.829 13.531 28.511 301 HG21 THR 43 HG21 THR 43 32.571 9.998 28.465 302 HG22 THR 43 HG22 THR 43 33.914 9.774 29.585 303 HG23 THR 43 HG23 THR 43 34.217 10.368 27.953 304 H THR 44 HN THR 44 30.899 10.697 28.432 305 HA THR 44 HA THR 44 29.356 12.912 27.476 306 HB THR 44 HB THR 44 28.099 11.002 26.269 307 HG1 THR 44 HG1 THR 44 28.684 9.067 26.776 308 HG21 THR 44 HG21 THR 44 31.004 11.718 25.969 309 HG22 THR 44 HG22 THR 44 29.634 12.199 24.967 310 HG23 THR 44 HG23 THR 44 30.260 10.554 24.873 311 H GLY 45 HN GLY 45 27.521 10.051 27.889 312 HA2 GLY 45 HA2 GLY 45 26.088 11.142 30.218 313 HA3 GLY 45 HA1 GLY 45 25.187 10.821 28.738 314 H ASN 46 HN ASN 46 26.594 8.465 27.962 315 HA ASN 46 HA ASN 46 26.166 6.198 28.168 316 HB2 ASN 46 HB2 ASN 46 27.301 5.208 30.074 317 HB3 ASN 46 HB1 ASN 46 28.257 6.557 29.462 318 HD21 ASN 46 HD21 ASN 46 28.085 8.648 30.695 319 HD22 ASN 46 HD22 ASN 46 27.689 8.599 32.346 320 H GLY 47 HN GLY 47 23.780 6.979 28.235 321 HA2 GLY 47 HA2 GLY 47 22.390 5.348 30.091 322 HA3 GLY 47 HA1 GLY 47 22.269 7.036 30.579 323 H LEU 48 HN LEU 48 22.192 8.262 28.069 324 HA LEU 48 HA LEU 48 19.924 7.069 26.645 325 HB2 LEU 48 HB2 LEU 48 19.684 9.255 28.508 326 HB3 LEU 48 HB1 LEU 48 19.283 9.803 26.880 327 HG LEU 48 HG LEU 48 18.139 7.301 28.152 328 HD11 LEU 48 HD11 LEU 48 16.038 8.687 28.295 329 HD12 LEU 48 HD12 LEU 48 17.011 10.103 27.895 330 HD13 LEU 48 HD13 LEU 48 17.319 9.215 29.387 331 HD21 LEU 48 HD21 LEU 48 16.599 8.510 26.030 332 HD22 LEU 48 HD22 LEU 48 17.289 6.889 26.104 333 HD23 LEU 48 HD23 LEU 48 18.250 8.229 25.478 334 H VAL 49 HN VAL 49 22.893 8.244 26.459 335 HA VAL 49 HA VAL 49 22.529 9.975 24.130 336 HB VAL 49 HB VAL 49 25.033 9.087 25.583 337 HG11 VAL 49 HG11 VAL 49 25.917 9.670 23.543 338 HG12 VAL 49 HG12 VAL 49 25.751 11.293 24.214 339 HG13 VAL 49 HG13 VAL 49 24.528 10.667 23.109 340 HG21 VAL 49 HG21 VAL 49 25.018 11.479 26.343 341 HG22 VAL 49 HG22 VAL 49 23.651 10.550 26.955 342 HG23 VAL 49 HG23 VAL 49 23.427 11.662 25.606 343 H LEU 50 HN LEU 50 23.485 6.723 24.955 344 HA LEU 50 HA LEU 50 24.634 6.129 22.379 345 HB2 LEU 50 HB2 LEU 50 23.923 3.704 23.575 346 HB3 LEU 50 HB1 LEU 50 25.505 4.475 23.618 347 HG LEU 50 HG LEU 50 24.801 5.726 25.665 348 HD11 LEU 50 HD11 LEU 50 22.584 3.984 26.344 349 HD12 LEU 50 HD12 LEU 50 22.230 4.873 24.865 350 HD13 LEU 50 HD13 LEU 50 22.644 5.747 26.340 351 HD21 LEU 50 HD21 LEU 50 24.637 3.607 27.131 352 HD22 LEU 50 HD22 LEU 50 26.053 3.762 26.091 353 HD23 LEU 50 HD23 LEU 50 24.720 2.708 25.616 354 H TRP 51 HN TRP 51 21.510 6.582 23.455 355 HA TRP 51 HA TRP 51 20.203 4.538 21.897 356 HB2 TRP 51 HB2 TRP 51 18.476 5.121 23.195 357 HB3 TRP 51 HB1 TRP 51 19.448 6.417 23.893 358 HD1 TRP 51 HD1 TRP 51 19.449 8.784 22.457 359 HE1 TRP 51 HE1 TRP 51 17.508 9.889 21.170 360 HE3 TRP 51 HE3 TRP 51 16.360 4.756 21.890 361 HZ2 TRP 51 HZ2 TRP 51 14.979 9.160 20.049 362 HZ3 TRP 51 HZ3 TRP 51 14.194 4.989 20.710 363 HH2 TRP 51 HH2 TRP 51 13.500 7.185 19.790 364 H THR 52 HN THR 52 21.134 7.895 21.455 365 HA THR 52 HA THR 52 19.609 8.356 19.089 366 HB THR 52 HB THR 52 20.792 10.051 20.696 367 HG1 THR 52 HG1 THR 52 20.172 10.086 18.045 368 HG21 THR 52 HG21 THR 52 22.999 10.661 20.172 369 HG22 THR 52 HG22 THR 52 22.953 9.839 18.612 370 HG23 THR 52 HG23 THR 52 23.048 8.900 20.102 371 H VAL 53 HN VAL 53 22.672 6.844 19.751 372 HA VAL 53 HA VAL 53 23.774 7.014 17.133 373 HB VAL 53 HB VAL 53 24.280 5.002 19.338 374 HG11 VAL 53 HG11 VAL 53 25.325 5.331 16.603 375 HG12 VAL 53 HG12 VAL 53 25.388 3.928 17.670 376 HG13 VAL 53 HG13 VAL 53 26.574 5.222 17.843 377 HG21 VAL 53 HG21 VAL 53 24.814 7.214 20.114 378 HG22 VAL 53 HG22 VAL 53 25.562 7.639 18.573 379 HG23 VAL 53 HG23 VAL 53 26.340 6.468 19.638 380 H PHE 54 HN PHE 54 22.146 4.329 18.835 381 HA PHE 54 HA PHE 54 22.085 2.449 16.832 382 HB2 PHE 54 HB2 PHE 54 20.982 1.435 18.502 383 HB3 PHE 54 HB1 PHE 54 20.573 2.983 19.243 384 HD1 PHE 54 HD1 PHE 54 19.594 0.712 16.433 385 HD2 PHE 54 HD2 PHE 54 18.364 3.782 19.175 386 HE1 PHE 54 HE1 PHE 54 17.251 0.468 15.657 387 HE2 PHE 54 HE2 PHE 54 16.021 3.538 18.398 388 HZ PHE 54 HZ PHE 54 15.465 1.879 16.640 389 H ARG 55 HN ARG 55 20.306 5.431 17.036 390 HA ARG 55 HA ARG 55 18.422 4.728 14.951 391 HB2 ARG 55 HB2 ARG 55 18.320 6.526 16.970 392 HB3 ARG 55 HB1 ARG 55 18.838 7.573 15.649 393 HG2 ARG 55 HG2 ARG 55 16.951 6.523 14.272 394 HG3 ARG 55 HG1 ARG 55 16.354 5.857 15.792 395 HD2 ARG 55 HD2 ARG 55 15.251 7.822 16.011 396 HD3 ARG 55 HD1 ARG 55 16.820 8.486 16.460 397 HE ARG 55 HE ARG 55 16.582 8.510 13.643 398 HH11 ARG 55 HH21 ARG 55 15.285 9.979 16.496 399 HH12 ARG 55 HH22 ARG 55 14.904 11.479 15.717 400 HH21 ARG 55 HH11 ARG 55 16.086 10.474 12.616 401 HH22 ARG 55 HH12 ARG 55 15.357 11.759 13.521 402 H LYS 56 HN LYS 56 21.287 6.806 15.269 403 HA LYS 56 HA LYS 56 21.361 8.013 12.800 404 HB2 LYS 56 HB2 LYS 56 23.292 7.335 14.860 405 HB3 LYS 56 HB1 LYS 56 24.010 7.246 13.251 406 HG2 LYS 56 HG2 LYS 56 24.199 9.526 14.190 407 HG3 LYS 56 HG1 LYS 56 23.187 9.510 12.746 408 HD2 LYS 56 HD2 LYS 56 21.394 10.237 13.903 409 HD3 LYS 56 HD1 LYS 56 21.613 8.993 15.134 410 HE2 LYS 56 HE2 LYS 56 23.278 10.355 16.278 411 HE3 LYS 56 HE1 LYS 56 23.203 11.571 15.003 412 HZ1 LYS 56 HZ1 LYS 56 20.631 11.367 15.686 413 HZ2 LYS 56 HZ2 LYS 56 21.700 12.506 16.354 414 HZ3 LYS 56 HZ3 LYS 56 21.367 11.061 17.182 415 H LYS 57 HN LYS 57 21.459 4.679 13.451 416 HA LYS 57 HA LYS 57 22.815 4.003 10.949 417 HB2 LYS 57 HB2 LYS 57 21.532 1.885 12.584 418 HB3 LYS 57 HB1 LYS 57 23.118 1.913 11.815 419 HG2 LYS 57 HG2 LYS 57 22.325 3.360 14.361 420 HG3 LYS 57 HG1 LYS 57 23.402 1.969 14.236 421 HD2 LYS 57 HD2 LYS 57 24.570 3.705 12.469 422 HD3 LYS 57 HD1 LYS 57 23.945 4.817 13.688 423 HE2 LYS 57 HE2 LYS 57 26.139 4.197 14.417 424 HE3 LYS 57 HE1 LYS 57 25.011 3.304 15.437 425 HZ1 LYS 57 HZ1 LYS 57 25.411 1.341 14.304 426 HZ2 LYS 57 HZ2 LYS 57 26.954 2.046 14.380 427 HZ3 LYS 57 HZ3 LYS 57 26.052 2.123 12.942 428 H GLY 58 HN GLY 58 20.416 5.453 10.659 429 HA2 GLY 58 HA2 GLY 58 18.444 3.445 9.787 430 HA3 GLY 58 HA1 GLY 58 18.130 5.164 10.012 431 H HIS 59 HN HIS 59 19.472 2.737 7.883 432 HA HIS 59 HA HIS 59 20.568 4.345 5.878 433 HB2 HIS 59 HB2 HIS 59 19.044 1.795 5.344 434 HB3 HIS 59 HB1 HIS 59 20.424 2.447 4.458 435 HD2 HIS 59 HD2 HIS 59 22.871 2.536 6.217 436 HE1 HIS 59 HE1 HIS 59 21.542 -0.789 8.452 437 HE2 HIS 59 HE2 HIS 59 23.546 0.680 7.925 438 H HIS 60 HN HIS 60 17.328 4.042 6.877 439 HA HIS 60 HA HIS 60 15.765 4.302 4.653 440 HB2 HIS 60 HB2 HIS 60 15.613 5.534 7.378 441 HB3 HIS 60 HB1 HIS 60 14.456 6.031 6.144 442 HD2 HIS 60 HD2 HIS 60 15.692 2.464 7.466 443 HE1 HIS 60 HE1 HIS 60 11.554 2.309 6.646 444 HE2 HIS 60 HE2 HIS 60 13.546 0.977 7.488 445 H HIS 61 HN HIS 61 16.436 5.408 2.888 446 HA HIS 61 HA HIS 61 17.544 8.092 3.157 447 HB2 HIS 61 HB2 HIS 61 17.976 7.950 0.782 448 HB3 HIS 61 HB1 HIS 61 18.483 6.436 1.533 449 HD2 HIS 61 HD2 HIS 61 17.522 4.299 0.093 450 HE1 HIS 61 HE1 HIS 61 14.000 6.087 -1.398 451 HE2 HIS 61 HE2 HIS 61 15.395 3.965 -1.384 452 H HIS 62 HN HIS 62 16.698 9.789 1.610 453 HA HIS 62 HA HIS 62 14.047 10.440 2.231 454 HB2 HIS 62 HB2 HIS 62 14.298 12.113 0.332 455 HB3 HIS 62 HB1 HIS 62 15.523 12.202 1.599 456 HD2 HIS 62 HD2 HIS 62 18.099 11.126 0.826 457 HE1 HIS 62 HE1 HIS 62 17.195 10.999 -3.295 458 HE2 HIS 62 HE2 HIS 62 19.060 10.814 -1.582 459 H HIS 63 HN HIS 63 12.116 10.184 1.198 460 HA HIS 63 HA HIS 63 11.698 7.955 -0.443 461 HB2 HIS 63 HB2 HIS 63 10.073 9.651 0.931 462 HB3 HIS 63 HB1 HIS 63 9.750 10.155 -0.728 463 HD2 HIS 63 HD2 HIS 63 9.456 6.861 1.452 464 HE1 HIS 63 HE1 HIS 63 7.186 6.362 -2.074 465 HE2 HIS 63 HE2 HIS 63 7.791 5.317 0.161 466 H HIS 64 HN HIS 64 10.232 8.504 -2.586 467 HA HIS 64 HA HIS 64 11.932 8.888 -4.677 468 HB2 HIS 64 HB2 HIS 64 9.668 8.138 -5.053 469 HB3 HIS 64 HB1 HIS 64 9.018 9.683 -4.500 470 HD2 HIS 64 HD2 HIS 64 8.970 11.697 -6.448 471 HE1 HIS 64 HE1 HIS 64 10.968 9.540 -9.477 472 HE2 HIS 64 HE2 HIS 64 9.708 11.680 -8.953 Start of MODEL 24 1 H1 MET 1 HT1 MET 1 26.631 10.130 23.849 2 H2 MET 1 HT2 MET 1 26.491 8.464 24.153 3 H3 MET 1 HT3 MET 1 27.166 9.492 25.326 4 HA MET 1 HA MET 1 25.128 9.441 26.226 5 HB2 MET 1 HB2 MET 1 25.111 11.439 24.004 6 HB3 MET 1 HB1 MET 1 23.591 11.132 24.845 7 HG2 MET 1 HG2 MET 1 24.494 11.783 26.942 8 HG3 MET 1 HG1 MET 1 26.151 11.699 26.345 9 HE1 MET 1 HE1 MET 1 26.440 13.688 27.562 10 HE2 MET 1 HE2 MET 1 24.932 14.554 27.845 11 HE3 MET 1 HE3 MET 1 26.222 15.323 26.924 12 H GLU 2 HN GLU 2 23.516 8.005 26.299 13 HA GLU 2 HA GLU 2 22.685 6.678 23.824 14 HB2 GLU 2 HB2 GLU 2 21.882 5.979 26.651 15 HB3 GLU 2 HB1 GLU 2 21.801 4.952 25.220 16 HG2 GLU 2 HG2 GLU 2 24.339 5.241 25.051 17 HG3 GLU 2 HG1 GLU 2 24.268 5.914 26.678 18 H GLU 3 HN GLU 3 21.777 9.284 23.973 19 HA GLU 3 HA GLU 3 18.878 8.842 24.229 20 HB2 GLU 3 HB2 GLU 3 19.461 9.991 26.269 21 HB3 GLU 3 HB1 GLU 3 20.417 11.178 25.382 22 HG2 GLU 3 HG2 GLU 3 18.562 12.294 24.594 23 HG3 GLU 3 HG1 GLU 3 17.565 10.840 24.577 24 H GLY 4 HN GLY 4 18.993 8.655 21.911 25 HA2 GLY 4 HA2 GLY 4 18.120 10.710 20.411 26 HA3 GLY 4 HA1 GLY 4 19.863 10.957 20.364 27 H GLY 5 HN GLY 5 20.432 8.076 20.515 28 HA2 GLY 5 HA2 GLY 5 20.716 7.461 17.820 29 HA3 GLY 5 HA1 GLY 5 20.742 6.271 19.117 30 H ASP 6 HN ASP 6 18.278 6.149 20.081 31 HA ASP 6 HA ASP 6 16.276 5.078 19.690 32 HB2 ASP 6 HB2 ASP 6 14.820 6.584 18.879 33 HB3 ASP 6 HB1 ASP 6 16.216 7.623 18.590 34 H PHE 7 HN PHE 7 14.831 4.211 17.719 35 HA PHE 7 HA PHE 7 16.586 2.992 15.694 36 HB2 PHE 7 HB2 PHE 7 15.146 1.614 17.867 37 HB3 PHE 7 HB1 PHE 7 14.908 0.921 16.262 38 HD1 PHE 7 HD2 PHE 7 17.037 0.540 14.816 39 HD2 PHE 7 HD1 PHE 7 17.106 1.137 19.069 40 HE1 PHE 7 HE2 PHE 7 19.289 -0.494 14.925 41 HE2 PHE 7 HE1 PHE 7 19.357 0.103 19.178 42 HZ PHE 7 HZ PHE 7 20.449 -0.713 17.106 43 H ASP 8 HN ASP 8 15.680 4.147 14.026 44 HA ASP 8 HA ASP 8 13.020 3.298 13.197 45 HB2 ASP 8 HB2 ASP 8 12.726 5.374 14.620 46 HB3 ASP 8 HB1 ASP 8 13.636 6.248 13.390 47 H ASN 9 HN ASN 9 15.140 2.427 11.941 48 HA ASN 9 HA ASN 9 15.200 4.005 9.455 49 HB2 ASN 9 HB2 ASN 9 17.641 2.757 10.739 50 HB3 ASN 9 HB1 ASN 9 17.598 3.627 9.206 51 HD21 ASN 9 HD21 ASN 9 17.861 5.881 9.302 52 HD22 ASN 9 HD22 ASN 9 17.835 6.784 10.739 53 H TYR 10 HN TYR 10 13.586 1.785 9.969 54 HA TYR 10 HA TYR 10 14.488 -0.738 9.405 55 HB2 TYR 10 HB2 TYR 10 12.024 0.404 8.088 56 HB3 TYR 10 HB1 TYR 10 12.305 -1.254 8.619 57 HD1 TYR 10 HD1 TYR 10 12.382 -1.804 11.044 58 HD2 TYR 10 HD2 TYR 10 11.350 2.122 9.638 59 HE1 TYR 10 HE1 TYR 10 11.450 -1.250 13.274 60 HE2 TYR 10 HE2 TYR 10 10.418 2.676 11.868 61 HH TYR 10 HH TYR 10 10.768 0.479 14.602 62 H TYR 11 HN TYR 11 15.054 -1.907 7.602 63 HA TYR 11 HA TYR 11 16.415 -0.634 5.523 64 HB2 TYR 11 HB2 TYR 11 16.677 -2.770 4.557 65 HB3 TYR 11 HB1 TYR 11 16.539 -3.089 6.285 66 HD1 TYR 11 HD2 TYR 11 14.187 -3.621 7.216 67 HD2 TYR 11 HD1 TYR 11 15.178 -3.769 3.039 68 HE1 TYR 11 HE2 TYR 11 12.205 -5.053 6.796 69 HE2 TYR 11 HE1 TYR 11 13.196 -5.200 2.619 70 HH TYR 11 HH TYR 11 11.451 -6.699 5.120 71 H GLY 12 HN GLY 12 15.654 -1.626 3.127 72 HA2 GLY 12 HA2 GLY 12 13.821 -1.723 1.579 73 HA3 GLY 12 HA1 GLY 12 12.884 -0.720 2.681 74 H ALA 13 HN ALA 13 15.122 1.121 3.166 75 HA ALA 13 HA ALA 13 14.786 2.750 0.759 76 HB1 ALA 13 HB1 ALA 13 15.738 4.563 2.154 77 HB2 ALA 13 HB2 ALA 13 15.951 3.413 3.474 78 HB3 ALA 13 HB3 ALA 13 14.329 3.815 2.908 79 H ASP 14 HN ASP 14 16.292 0.919 -0.175 80 HA ASP 14 HA ASP 14 19.048 0.918 0.407 81 HB2 ASP 14 HB2 ASP 14 19.302 -0.078 -1.852 82 HB3 ASP 14 HB1 ASP 14 18.024 -0.851 -0.916 83 H ASN 15 HN ASN 15 19.387 3.248 0.712 84 HA ASN 15 HA ASN 15 20.141 4.524 -1.835 85 HB2 ASN 15 HB2 ASN 15 18.825 6.005 0.449 86 HB3 ASN 15 HB1 ASN 15 19.260 6.650 -1.133 87 HD21 ASN 15 HD21 ASN 15 16.777 5.016 0.641 88 HD22 ASN 15 HD22 ASN 15 15.742 4.722 -0.671 89 H GLN 16 HN GLN 16 20.562 4.223 1.643 90 HA GLN 16 HA GLN 16 22.724 6.032 1.923 91 HB2 GLN 16 HB2 GLN 16 23.164 4.838 4.039 92 HB3 GLN 16 HB1 GLN 16 21.451 5.220 3.852 93 HG2 GLN 16 HG2 GLN 16 21.835 2.713 2.604 94 HG3 GLN 16 HG1 GLN 16 22.704 2.635 4.136 95 HE21 GLN 16 HE21 GLN 16 19.588 4.157 3.099 96 HE22 GLN 16 HE22 GLN 16 18.683 3.489 4.371 97 H SER 17 HN SER 17 23.727 5.276 -0.206 98 HA SER 17 HA SER 17 25.434 2.906 0.156 99 HB2 SER 17 HB2 SER 17 23.990 3.451 -1.974 100 HB3 SER 17 HB1 SER 17 25.340 4.511 -2.371 101 HG SER 17 HG SER 17 26.625 2.814 -2.590 102 H GLU 18 HN GLU 18 27.103 3.592 1.439 103 HA GLU 18 HA GLU 18 28.909 5.574 0.231 104 HB2 GLU 18 HB2 GLU 18 27.755 6.879 1.876 105 HB3 GLU 18 HB1 GLU 18 27.916 5.604 3.085 106 HG2 GLU 18 HG2 GLU 18 30.110 6.102 3.522 107 HG3 GLU 18 HG1 GLU 18 30.440 6.579 1.857 108 H CYS 19 HN CYS 19 30.415 4.046 -0.335 109 HA CYS 19 HA CYS 19 31.409 2.227 1.751 110 HB2 CYS 19 HB2 CYS 19 32.716 1.264 -0.230 111 HB3 CYS 19 HB1 CYS 19 30.964 1.056 -0.261 112 HG CYS 19 HG CYS 19 32.492 3.186 -1.970 113 H GLU 20 HN GLU 20 33.950 1.805 1.183 114 HA GLU 20 HA GLU 20 36.084 2.613 1.446 115 HB2 GLU 20 HB2 GLU 20 35.151 5.221 0.262 116 HB3 GLU 20 HB1 GLU 20 36.740 4.465 0.145 117 HG2 GLU 20 HG2 GLU 20 35.477 2.525 -1.044 118 HG3 GLU 20 HG1 GLU 20 34.189 3.708 -1.263 119 H TYR 21 HN TYR 21 33.458 3.775 3.027 120 HA TYR 21 HA TYR 21 35.144 5.246 4.943 121 HB2 TYR 21 HB2 TYR 21 34.094 7.044 3.835 122 HB3 TYR 21 HB1 TYR 21 32.563 6.178 3.701 123 HD1 TYR 21 HD1 TYR 21 31.090 5.901 5.652 124 HD2 TYR 21 HD2 TYR 21 34.760 8.117 5.914 125 HE1 TYR 21 HE1 TYR 21 30.349 6.871 7.811 126 HE2 TYR 21 HE2 TYR 21 34.020 9.087 8.073 127 HH TYR 21 HH TYR 21 32.226 8.160 9.984 128 H THR 22 HN THR 22 32.211 3.424 4.262 129 HA THR 22 HA THR 22 31.519 3.194 7.076 130 HB THR 22 HB THR 22 30.333 1.886 4.617 131 HG1 THR 22 HG1 THR 22 30.059 4.310 5.841 132 HG21 THR 22 HG21 THR 22 28.415 1.871 6.570 133 HG22 THR 22 HG22 THR 22 29.875 1.566 7.511 134 HG23 THR 22 HG23 THR 22 29.446 0.495 6.177 135 H ASP 23 HN ASP 23 33.262 1.408 4.660 136 HA ASP 23 HA ASP 23 33.286 -1.033 6.272 137 HB2 ASP 23 HB2 ASP 23 33.188 -0.806 3.638 138 HB3 ASP 23 HB1 ASP 23 34.940 -0.698 3.806 139 H TRP 24 HN TRP 24 34.578 1.543 7.123 140 HA TRP 24 HA TRP 24 37.337 1.534 6.905 141 HB2 TRP 24 HB2 TRP 24 37.162 2.458 9.375 142 HB3 TRP 24 HB1 TRP 24 36.546 3.394 8.018 143 HD1 TRP 24 HD1 TRP 24 34.633 0.335 9.228 144 HE1 TRP 24 HE1 TRP 24 32.402 1.101 10.263 145 HE3 TRP 24 HE3 TRP 24 35.363 5.390 9.254 146 HZ2 TRP 24 HZ2 TRP 24 31.097 3.536 11.005 147 HZ3 TRP 24 HZ3 TRP 24 33.611 6.907 10.130 148 HH2 TRP 24 HH2 TRP 24 31.480 5.989 11.004 149 H LYS 25 HN LYS 25 36.504 0.889 10.179 150 HA LYS 25 HA LYS 25 38.492 -0.983 10.632 151 HB2 LYS 25 HB2 LYS 25 35.837 -0.812 12.078 152 HB3 LYS 25 HB1 LYS 25 37.324 -1.528 12.700 153 HG2 LYS 25 HG2 LYS 25 37.871 0.499 13.511 154 HG3 LYS 25 HG1 LYS 25 38.051 1.048 11.845 155 HD2 LYS 25 HD2 LYS 25 35.632 1.603 11.783 156 HD3 LYS 25 HD1 LYS 25 35.491 1.109 13.471 157 HE2 LYS 25 HE2 LYS 25 35.776 3.593 13.153 158 HE3 LYS 25 HE1 LYS 25 37.005 2.854 14.179 159 HZ1 LYS 25 HZ1 LYS 25 37.403 3.210 11.271 160 HZ2 LYS 25 HZ2 LYS 25 38.572 2.914 12.468 161 HZ3 LYS 25 HZ3 LYS 25 37.803 4.427 12.384 162 H SER 26 HN SER 26 35.099 -1.979 10.897 163 HA SER 26 HA SER 26 34.048 -3.943 10.334 164 HB2 SER 26 HB2 SER 26 34.624 -2.925 8.049 165 HB3 SER 26 HB1 SER 26 35.942 -4.092 7.994 166 HG SER 26 HG SER 26 34.151 -5.644 8.575 167 H SER 27 HN SER 27 37.002 -3.856 11.547 168 HA SER 27 HA SER 27 37.619 -6.709 11.161 169 HB2 SER 27 HB2 SER 27 39.203 -4.306 11.685 170 HB3 SER 27 HB1 SER 27 39.619 -5.649 12.745 171 HG SER 27 HG SER 27 40.036 -5.322 10.066 172 H GLY 28 HN GLY 28 38.216 -4.610 13.953 173 HA2 GLY 28 HA2 GLY 28 36.260 -5.715 15.666 174 HA3 GLY 28 HA1 GLY 28 37.774 -6.590 15.882 175 H ALA 29 HN ALA 29 37.712 -3.218 14.978 176 HA ALA 29 HA ALA 29 38.623 -1.370 16.004 177 HB1 ALA 29 HB1 ALA 29 36.774 -2.616 17.950 178 HB2 ALA 29 HB2 ALA 29 36.807 -0.970 17.316 179 HB3 ALA 29 HB3 ALA 29 37.907 -1.438 18.613 180 H LEU 30 HN LEU 30 40.812 -1.639 15.939 181 HA LEU 30 HA LEU 30 42.086 -3.154 18.126 182 HB2 LEU 30 HB2 LEU 30 43.049 -2.291 15.401 183 HB3 LEU 30 HB1 LEU 30 44.150 -2.880 16.647 184 HG LEU 30 HG LEU 30 41.774 -4.573 16.279 185 HD11 LEU 30 HD11 LEU 30 42.075 -3.903 13.944 186 HD12 LEU 30 HD12 LEU 30 42.622 -5.566 14.157 187 HD13 LEU 30 HD13 LEU 30 43.800 -4.259 14.042 188 HD21 LEU 30 HD21 LEU 30 43.874 -5.059 17.626 189 HD22 LEU 30 HD22 LEU 30 44.730 -5.219 16.093 190 HD23 LEU 30 HD23 LEU 30 43.415 -6.324 16.488 191 H ILE 31 HN ILE 31 40.973 -0.660 18.738 192 HA ILE 31 HA ILE 31 42.908 0.608 20.200 193 HB ILE 31 HB ILE 31 43.174 1.327 17.404 194 HG12 ILE 31 HG12 ILE 31 44.974 0.786 19.097 195 HG13 ILE 31 HG11 ILE 31 45.259 2.259 18.177 196 HG21 ILE 31 HG21 ILE 31 43.309 3.790 17.714 197 HG22 ILE 31 HG22 ILE 31 42.564 3.630 19.298 198 HG23 ILE 31 HG23 ILE 31 41.660 3.196 17.847 199 HD11 ILE 31 HD11 ILE 31 43.720 2.742 20.624 200 HD12 ILE 31 HD12 ILE 31 45.173 3.545 20.035 201 HD13 ILE 31 HD13 ILE 31 45.305 2.040 20.942 202 HA PRO 32 HA PRO 32 39.019 3.453 19.622 203 HB2 PRO 32 HB2 PRO 32 37.109 1.681 18.251 204 HB3 PRO 32 HB1 PRO 32 37.548 3.358 17.883 205 HG2 PRO 32 HG2 PRO 32 38.274 1.296 16.319 206 HG3 PRO 32 HG1 PRO 32 39.272 2.747 16.515 207 HD2 PRO 32 HD2 PRO 32 39.608 0.044 17.771 208 HD3 PRO 32 HD1 PRO 32 40.848 1.154 17.148 209 H ALA 33 HN ALA 33 39.206 0.131 20.382 210 HA ALA 33 HA ALA 33 36.791 -0.152 21.876 211 HB1 ALA 33 HB1 ALA 33 38.423 -1.994 22.992 212 HB2 ALA 33 HB2 ALA 33 39.281 -1.708 21.479 213 HB3 ALA 33 HB3 ALA 33 37.600 -2.239 21.452 214 H ILE 34 HN ILE 34 40.081 0.858 22.660 215 HA ILE 34 HA ILE 34 39.429 1.131 25.492 216 HB ILE 34 HB ILE 34 41.935 1.464 23.862 217 HG12 ILE 34 HG12 ILE 34 42.753 -0.278 25.345 218 HG13 ILE 34 HG11 ILE 34 41.305 -0.160 26.346 219 HG21 ILE 34 HG21 ILE 34 42.943 1.988 26.212 220 HG22 ILE 34 HG22 ILE 34 41.306 2.502 26.618 221 HG23 ILE 34 HG23 ILE 34 42.182 3.297 25.309 222 HD11 ILE 34 HD11 ILE 34 41.387 -2.072 24.614 223 HD12 ILE 34 HD12 ILE 34 41.133 -0.813 23.404 224 HD13 ILE 34 HD13 ILE 34 39.925 -1.087 24.660 225 H TYR 35 HN TYR 35 39.720 3.070 22.621 226 HA TYR 35 HA TYR 35 40.013 5.609 23.866 227 HB2 TYR 35 HB2 TYR 35 40.121 4.722 21.296 228 HB3 TYR 35 HB1 TYR 35 38.539 5.504 21.312 229 HD1 TYR 35 HD2 TYR 35 38.408 7.888 22.324 230 HD2 TYR 35 HD1 TYR 35 42.076 6.012 21.110 231 HE1 TYR 35 HE2 TYR 35 39.505 10.109 22.205 232 HE2 TYR 35 HE1 TYR 35 43.173 8.232 20.990 233 HH TYR 35 HH TYR 35 41.415 11.157 21.089 234 H MET 36 HN MET 36 37.216 3.678 22.895 235 HA MET 36 HA MET 36 35.316 5.733 23.606 236 HB2 MET 36 HB2 MET 36 35.025 2.822 22.856 237 HB3 MET 36 HB1 MET 36 33.654 3.856 23.259 238 HG2 MET 36 HG2 MET 36 35.461 5.118 21.344 239 HG3 MET 36 HG1 MET 36 34.810 3.593 20.741 240 HE1 MET 36 HE1 MET 36 34.302 7.262 21.250 241 HE2 MET 36 HE2 MET 36 32.938 7.395 20.144 242 HE3 MET 36 HE3 MET 36 34.397 6.552 19.633 243 H LEU 37 HN LEU 37 36.352 2.623 24.989 244 HA LEU 37 HA LEU 37 34.708 2.327 27.129 245 HB2 LEU 37 HB2 LEU 37 37.297 1.416 26.419 246 HB3 LEU 37 HB1 LEU 37 37.380 1.949 28.097 247 HG LEU 37 HG LEU 37 35.304 0.046 26.967 248 HD11 LEU 37 HD11 LEU 37 36.613 -1.448 28.732 249 HD12 LEU 37 HD12 LEU 37 37.926 -0.331 28.359 250 HD13 LEU 37 HD13 LEU 37 37.192 -1.291 27.073 251 HD21 LEU 37 HD21 LEU 37 34.161 0.774 28.798 252 HD22 LEU 37 HD22 LEU 37 35.594 1.504 29.521 253 HD23 LEU 37 HD23 LEU 37 35.301 -0.225 29.698 254 H VAL 38 HN VAL 38 36.883 4.938 26.590 255 HA VAL 38 HA VAL 38 36.748 5.809 29.391 256 HB VAL 38 HB VAL 38 38.268 6.942 27.032 257 HG11 VAL 38 HG11 VAL 38 38.113 8.789 28.406 258 HG12 VAL 38 HG12 VAL 38 39.483 7.988 29.174 259 HG13 VAL 38 HG13 VAL 38 37.867 7.819 29.858 260 HG21 VAL 38 HG21 VAL 38 38.844 4.627 28.206 261 HG22 VAL 38 HG22 VAL 38 39.520 5.683 29.446 262 HG23 VAL 38 HG23 VAL 38 40.123 5.768 27.792 263 H PHE 39 HN PHE 39 35.611 6.642 26.178 264 HA PHE 39 HA PHE 39 34.688 9.245 26.649 265 HB2 PHE 39 HB2 PHE 39 34.792 7.858 24.447 266 HB3 PHE 39 HB1 PHE 39 33.175 7.323 24.906 267 HD1 PHE 39 HD1 PHE 39 35.248 10.225 23.955 268 HD2 PHE 39 HD2 PHE 39 31.295 8.865 24.945 269 HE1 PHE 39 HE1 PHE 39 34.303 12.358 23.113 270 HE2 PHE 39 HE2 PHE 39 30.350 10.998 24.103 271 HZ PHE 39 HZ PHE 39 31.854 12.744 23.187 272 H LEU 40 HN LEU 40 32.671 6.297 26.568 273 HA LEU 40 HA LEU 40 30.388 7.439 27.698 274 HB2 LEU 40 HB2 LEU 40 30.403 4.788 28.598 275 HB3 LEU 40 HB1 LEU 40 29.662 5.397 27.120 276 HG LEU 40 HG LEU 40 32.586 4.622 27.241 277 HD11 LEU 40 HD11 LEU 40 31.319 2.601 25.877 278 HD12 LEU 40 HD12 LEU 40 30.179 2.927 27.183 279 HD13 LEU 40 HD13 LEU 40 31.849 2.499 27.557 280 HD21 LEU 40 HD21 LEU 40 30.954 4.335 24.789 281 HD22 LEU 40 HD22 LEU 40 32.566 5.021 24.988 282 HD23 LEU 40 HD23 LEU 40 31.142 5.996 25.353 283 H LEU 41 HN LEU 41 33.085 5.746 29.269 284 HA LEU 41 HA LEU 41 32.071 5.883 31.902 285 HB2 LEU 41 HB2 LEU 41 34.759 5.447 30.670 286 HB3 LEU 41 HB1 LEU 41 34.680 5.787 32.396 287 HG LEU 41 HG LEU 41 34.611 3.331 31.821 288 HD11 LEU 41 HD11 LEU 41 33.482 3.050 33.748 289 HD12 LEU 41 HD12 LEU 41 31.975 3.572 32.999 290 HD13 LEU 41 HD13 LEU 41 33.070 4.763 33.695 291 HD21 LEU 41 HD21 LEU 41 31.778 3.782 30.917 292 HD22 LEU 41 HD22 LEU 41 32.826 2.393 30.635 293 HD23 LEU 41 HD23 LEU 41 33.101 3.897 29.756 294 H GLY 42 HN GLY 42 32.705 8.390 29.928 295 HA2 GLY 42 HA2 GLY 42 33.314 10.181 32.197 296 HA3 GLY 42 HA1 GLY 42 34.176 10.356 30.672 297 H THR 43 HN THR 43 31.055 9.311 30.084 298 HA THR 43 HA THR 43 29.939 12.029 29.939 299 HB THR 43 HB THR 43 29.130 11.529 27.617 300 HG1 THR 43 HG1 THR 43 31.117 9.677 27.245 301 HG21 THR 43 HG21 THR 43 32.134 11.525 28.029 302 HG22 THR 43 HG22 THR 43 31.100 12.954 28.016 303 HG23 THR 43 HG23 THR 43 31.303 11.999 26.547 304 H THR 44 HN THR 44 29.442 8.540 29.699 305 HA THR 44 HA THR 44 26.571 8.915 30.251 306 HB THR 44 HB THR 44 26.454 6.452 29.691 307 HG1 THR 44 HG1 THR 44 29.046 6.687 29.878 308 HG21 THR 44 HG21 THR 44 26.965 6.896 27.203 309 HG22 THR 44 HG22 THR 44 27.424 8.518 27.719 310 HG23 THR 44 HG23 THR 44 25.778 7.942 27.982 311 H GLY 45 HN GLY 45 29.278 6.816 31.264 312 HA2 GLY 45 HA2 GLY 45 28.020 5.747 33.543 313 HA3 GLY 45 HA1 GLY 45 29.760 5.823 33.284 314 H ASN 46 HN ASN 46 28.705 8.909 32.969 315 HA ASN 46 HA ASN 46 29.368 9.529 35.776 316 HB2 ASN 46 HB2 ASN 46 30.373 11.453 35.052 317 HB3 ASN 46 HB1 ASN 46 30.563 10.493 33.585 318 HD21 ASN 46 HD21 ASN 46 27.929 10.583 32.550 319 HD22 ASN 46 HD22 ASN 46 27.543 12.189 32.161 320 H GLY 47 HN GLY 47 26.753 9.287 33.702 321 HA2 GLY 47 HA2 GLY 47 25.213 11.377 35.108 322 HA3 GLY 47 HA1 GLY 47 24.766 10.643 33.571 323 H LEU 48 HN LEU 48 25.108 7.948 34.167 324 HA LEU 48 HA LEU 48 22.690 7.414 35.622 325 HB2 LEU 48 HB2 LEU 48 24.261 6.065 33.716 326 HB3 LEU 48 HB1 LEU 48 24.286 5.057 35.163 327 HG LEU 48 HG LEU 48 21.789 6.168 33.848 328 HD11 LEU 48 HD11 LEU 48 21.360 3.826 33.225 329 HD12 LEU 48 HD12 LEU 48 22.887 3.341 33.961 330 HD13 LEU 48 HD13 LEU 48 22.886 4.377 32.534 331 HD21 LEU 48 HD21 LEU 48 20.836 5.742 35.850 332 HD22 LEU 48 HD22 LEU 48 22.338 5.061 36.473 333 HD23 LEU 48 HD23 LEU 48 21.203 4.036 35.594 334 H VAL 49 HN VAL 49 26.020 6.213 36.095 335 HA VAL 49 HA VAL 49 25.737 5.065 38.576 336 HB VAL 49 HB VAL 49 28.118 6.672 37.620 337 HG11 VAL 49 HG11 VAL 49 29.292 4.893 39.076 338 HG12 VAL 49 HG12 VAL 49 27.701 4.600 39.779 339 HG13 VAL 49 HG13 VAL 49 28.447 6.192 39.919 340 HG21 VAL 49 HG21 VAL 49 26.912 4.397 36.483 341 HG22 VAL 49 HG22 VAL 49 28.291 3.780 37.393 342 HG23 VAL 49 HG23 VAL 49 28.532 5.007 36.150 343 H LEU 50 HN LEU 50 25.566 8.402 37.769 344 HA LEU 50 HA LEU 50 26.056 9.288 40.509 345 HB2 LEU 50 HB2 LEU 50 25.573 10.678 37.888 346 HB3 LEU 50 HB1 LEU 50 25.447 11.563 39.406 347 HG LEU 50 HG LEU 50 27.736 11.648 38.324 348 HD11 LEU 50 HD11 LEU 50 28.416 10.250 40.781 349 HD12 LEU 50 HD12 LEU 50 27.052 11.337 41.030 350 HD13 LEU 50 HD13 LEU 50 28.572 11.962 40.395 351 HD21 LEU 50 HD21 LEU 50 27.555 9.204 37.576 352 HD22 LEU 50 HD22 LEU 50 27.966 8.776 39.238 353 HD23 LEU 50 HD23 LEU 50 29.104 9.700 38.258 354 H TRP 51 HN TRP 51 23.419 8.538 38.393 355 HA TRP 51 HA TRP 51 21.377 10.065 39.607 356 HB2 TRP 51 HB2 TRP 51 20.161 9.123 37.980 357 HB3 TRP 51 HB1 TRP 51 21.567 8.155 37.542 358 HD1 TRP 51 HD1 TRP 51 21.857 5.818 39.059 359 HE1 TRP 51 HE1 TRP 51 20.011 4.177 39.801 360 HE3 TRP 51 HE3 TRP 51 17.756 8.824 38.579 361 HZ2 TRP 51 HZ2 TRP 51 17.172 4.144 40.145 362 HZ3 TRP 51 HZ3 TRP 51 15.497 7.963 39.119 363 HH2 TRP 51 HH2 TRP 51 15.199 5.629 39.902 364 H THR 52 HN THR 52 22.878 7.018 40.461 365 HA THR 52 HA THR 52 20.911 6.168 42.338 366 HB THR 52 HB THR 52 22.857 4.830 41.224 367 HG1 THR 52 HG1 THR 52 22.284 4.542 43.987 368 HG21 THR 52 HG21 THR 52 24.522 6.503 42.315 369 HG22 THR 52 HG22 THR 52 24.918 4.785 42.353 370 HG23 THR 52 HG23 THR 52 24.255 5.569 43.787 371 H VAL 53 HN VAL 53 23.117 8.711 42.390 372 HA VAL 53 HA VAL 53 23.592 8.689 45.256 373 HB VAL 53 HB VAL 53 24.166 10.877 43.244 374 HG11 VAL 53 HG11 VAL 53 25.828 11.569 44.939 375 HG12 VAL 53 HG12 VAL 53 25.293 10.261 45.994 376 HG13 VAL 53 HG13 VAL 53 24.196 11.587 45.606 377 HG21 VAL 53 HG21 VAL 53 25.952 8.635 44.244 378 HG22 VAL 53 HG22 VAL 53 26.425 9.920 43.133 379 HG23 VAL 53 HG23 VAL 53 25.238 8.716 42.634 380 H PHE 54 HN PHE 54 21.828 10.746 42.937 381 HA PHE 54 HA PHE 54 20.662 12.427 44.906 382 HB2 PHE 54 HB2 PHE 54 20.412 12.000 42.010 383 HB3 PHE 54 HB1 PHE 54 18.918 12.525 42.788 384 HD1 PHE 54 HD1 PHE 54 19.095 14.533 44.437 385 HD2 PHE 54 HD2 PHE 54 22.083 13.570 41.504 386 HE1 PHE 54 HE1 PHE 54 19.979 16.845 44.578 387 HE2 PHE 54 HE2 PHE 54 22.967 15.882 41.645 388 HZ PHE 54 HZ PHE 54 21.914 17.520 43.183 389 H ARG 55 HN ARG 55 20.245 9.216 44.512 390 HA ARG 55 HA ARG 55 17.352 9.190 44.990 391 HB2 ARG 55 HB2 ARG 55 19.398 7.082 44.352 392 HB3 ARG 55 HB1 ARG 55 17.822 6.637 45.009 393 HG2 ARG 55 HG2 ARG 55 17.790 8.580 42.765 394 HG3 ARG 55 HG1 ARG 55 18.283 6.937 42.356 395 HD2 ARG 55 HD2 ARG 55 15.836 7.226 42.134 396 HD3 ARG 55 HD1 ARG 55 16.239 6.046 43.378 397 HE ARG 55 HE ARG 55 15.410 7.522 44.992 398 HH11 ARG 55 HH21 ARG 55 15.701 9.024 41.889 399 HH12 ARG 55 HH22 ARG 55 14.814 10.441 42.338 400 HH21 ARG 55 HH11 ARG 55 14.245 9.378 45.590 401 HH22 ARG 55 HH12 ARG 55 13.990 10.642 44.434 402 H LYS 56 HN LYS 56 20.098 7.423 46.432 403 HA LYS 56 HA LYS 56 18.864 6.838 48.862 404 HB2 LYS 56 HB2 LYS 56 21.228 6.632 49.739 405 HB3 LYS 56 HB1 LYS 56 20.890 5.702 48.279 406 HG2 LYS 56 HG2 LYS 56 21.856 7.531 46.908 407 HG3 LYS 56 HG1 LYS 56 22.239 8.416 48.385 408 HD2 LYS 56 HD2 LYS 56 24.239 7.337 48.227 409 HD3 LYS 56 HD1 LYS 56 23.353 5.992 48.946 410 HE2 LYS 56 HE2 LYS 56 23.920 6.471 46.012 411 HE3 LYS 56 HE1 LYS 56 24.444 5.110 47.004 412 HZ1 LYS 56 HZ1 LYS 56 21.696 5.752 46.106 413 HZ2 LYS 56 HZ2 LYS 56 22.018 4.623 47.334 414 HZ3 LYS 56 HZ3 LYS 56 22.607 4.363 45.762 415 H LYS 57 HN LYS 57 20.658 9.701 47.851 416 HA LYS 57 HA LYS 57 20.460 10.895 50.505 417 HB2 LYS 57 HB2 LYS 57 21.704 11.762 47.899 418 HB3 LYS 57 HB1 LYS 57 21.552 12.864 49.270 419 HG2 LYS 57 HG2 LYS 57 23.130 11.761 50.507 420 HG3 LYS 57 HG1 LYS 57 22.668 10.180 49.875 421 HD2 LYS 57 HD2 LYS 57 24.919 10.843 49.087 422 HD3 LYS 57 HD1 LYS 57 23.786 10.687 47.745 423 HE2 LYS 57 HE2 LYS 57 23.649 12.989 47.413 424 HE3 LYS 57 HE1 LYS 57 24.119 13.358 49.072 425 HZ1 LYS 57 HZ1 LYS 57 26.101 13.760 48.139 426 HZ2 LYS 57 HZ2 LYS 57 25.770 12.833 46.754 427 HZ3 LYS 57 HZ3 LYS 57 26.284 12.075 48.184 428 H GLY 58 HN GLY 58 17.965 10.307 49.372 429 HA2 GLY 58 HA2 GLY 58 16.851 12.649 48.116 430 HA3 GLY 58 HA1 GLY 58 15.957 11.248 48.699 431 H HIS 59 HN HIS 59 17.683 14.144 49.826 432 HA HIS 59 HA HIS 59 16.862 14.167 52.481 433 HB2 HIS 59 HB2 HIS 59 18.111 15.978 50.680 434 HB3 HIS 59 HB1 HIS 59 16.806 16.847 51.488 435 HD2 HIS 59 HD2 HIS 59 20.259 15.233 52.362 436 HE1 HIS 59 HE1 HIS 59 18.692 16.915 55.904 437 HE2 HIS 59 HE2 HIS 59 20.741 15.841 54.855 438 H HIS 60 HN HIS 60 15.180 15.355 49.597 439 HA HIS 60 HA HIS 60 13.032 16.651 50.798 440 HB2 HIS 60 HB2 HIS 60 13.687 15.644 48.184 441 HB3 HIS 60 HB1 HIS 60 12.000 15.284 48.554 442 HD2 HIS 60 HD2 HIS 60 10.322 17.558 48.791 443 HE1 HIS 60 HE1 HIS 60 13.280 20.411 47.828 444 HE2 HIS 60 HE2 HIS 60 10.797 20.061 48.220 445 H HIS 61 HN HIS 61 11.548 15.950 52.179 446 HA HIS 61 HA HIS 61 11.181 13.144 52.708 447 HB2 HIS 61 HB2 HIS 61 9.400 14.010 54.290 448 HB3 HIS 61 HB1 HIS 61 11.029 14.622 54.580 449 HD2 HIS 61 HD2 HIS 61 10.957 17.352 54.914 450 HE1 HIS 61 HE1 HIS 61 7.657 18.196 52.420 451 HE2 HIS 61 HE2 HIS 61 9.398 19.217 53.960 452 H HIS 62 HN HIS 62 10.584 13.019 50.233 453 HA HIS 62 HA HIS 62 8.075 13.818 49.293 454 HB2 HIS 62 HB2 HIS 62 10.019 12.749 47.999 455 HB3 HIS 62 HB1 HIS 62 9.366 11.202 48.537 456 HD2 HIS 62 HD2 HIS 62 7.579 14.379 46.886 457 HE1 HIS 62 HE1 HIS 62 6.179 10.852 45.036 458 HE2 HIS 62 HE2 HIS 62 5.979 13.383 45.079 459 H HIS 63 HN HIS 63 6.043 12.967 49.397 460 HA HIS 63 HA HIS 63 5.227 11.540 51.643 461 HB2 HIS 63 HB2 HIS 63 4.009 12.544 49.218 462 HB3 HIS 63 HB1 HIS 63 3.331 10.977 49.657 463 HD2 HIS 63 HD2 HIS 63 2.988 11.115 52.811 464 HE1 HIS 63 HE1 HIS 63 1.344 14.970 52.309 465 HE2 HIS 63 HE2 HIS 63 1.581 13.018 53.915 466 H HIS 64 HN HIS 64 4.897 9.414 52.110 467 HA HIS 64 HA HIS 64 4.833 7.325 50.194 468 HB2 HIS 64 HB2 HIS 64 6.991 6.261 50.691 469 HB3 HIS 64 HB1 HIS 64 7.226 7.855 49.973 470 HD2 HIS 64 HD2 HIS 64 8.937 6.089 52.647 471 HE1 HIS 64 HE1 HIS 64 8.469 9.947 54.297 472 HE2 HIS 64 HE2 HIS 64 9.700 7.737 54.523 Start of MODEL 25 1 H1 MET 1 HT1 MET 1 42.625 25.077 27.895 2 H2 MET 1 HT2 MET 1 43.672 26.143 28.703 3 H3 MET 1 HT3 MET 1 43.989 25.692 27.097 4 HA MET 1 HA MET 1 41.390 26.802 27.312 5 HB2 MET 1 HB2 MET 1 43.697 28.588 28.141 6 HB3 MET 1 HB1 MET 1 42.013 29.071 27.937 7 HG2 MET 1 HG2 MET 1 42.052 26.831 29.699 8 HG3 MET 1 HG1 MET 1 43.272 27.972 30.264 9 HE1 MET 1 HE1 MET 1 39.666 27.033 30.778 10 HE2 MET 1 HE2 MET 1 39.801 27.354 29.051 11 HE3 MET 1 HE3 MET 1 38.761 28.367 30.049 12 H GLU 2 HN GLU 2 42.851 29.366 26.318 13 HA GLU 2 HA GLU 2 43.855 28.334 23.750 14 HB2 GLU 2 HB2 GLU 2 41.758 30.503 24.013 15 HB3 GLU 2 HB1 GLU 2 42.481 29.931 22.509 16 HG2 GLU 2 HG2 GLU 2 40.583 28.624 22.517 17 HG3 GLU 2 HG1 GLU 2 41.652 27.573 23.444 18 H GLU 3 HN GLU 3 45.920 29.028 23.938 19 HA GLU 3 HA GLU 3 46.470 31.728 24.922 20 HB2 GLU 3 HB2 GLU 3 47.806 29.511 25.435 21 HB3 GLU 3 HB1 GLU 3 48.598 29.886 23.905 22 HG2 GLU 3 HG2 GLU 3 48.748 32.315 24.979 23 HG3 GLU 3 HG1 GLU 3 48.641 31.402 26.483 24 H GLY 4 HN GLY 4 45.040 31.707 22.530 25 HA2 GLY 4 HA2 GLY 4 45.990 33.557 20.921 26 HA3 GLY 4 HA1 GLY 4 46.986 32.205 20.393 27 H GLY 5 HN GLY 5 45.352 30.093 20.321 28 HA2 GLY 5 HA2 GLY 5 43.782 29.037 19.013 29 HA3 GLY 5 HA1 GLY 5 42.746 30.420 19.354 30 H ASP 6 HN ASP 6 42.403 29.336 16.951 31 HA ASP 6 HA ASP 6 43.344 31.427 15.159 32 HB2 ASP 6 HB2 ASP 6 44.446 28.721 15.142 33 HB3 ASP 6 HB1 ASP 6 43.760 29.189 13.586 34 H PHE 7 HN PHE 7 42.478 30.661 12.794 35 HA PHE 7 HA PHE 7 39.795 29.502 13.085 36 HB2 PHE 7 HB2 PHE 7 38.957 31.613 13.138 37 HB3 PHE 7 HB1 PHE 7 40.422 32.321 12.459 38 HD1 PHE 7 HD2 PHE 7 37.423 30.280 11.566 39 HD2 PHE 7 HD1 PHE 7 40.546 32.877 10.168 40 HE1 PHE 7 HE2 PHE 7 36.345 30.374 9.334 41 HE2 PHE 7 HE1 PHE 7 39.469 32.970 7.936 42 HZ PHE 7 HZ PHE 7 37.369 31.719 7.519 43 H ASP 8 HN ASP 8 39.970 27.812 11.738 44 HA ASP 8 HA ASP 8 40.453 28.329 8.917 45 HB2 ASP 8 HB2 ASP 8 42.682 27.745 10.203 46 HB3 ASP 8 HB1 ASP 8 42.056 26.100 10.103 47 H ASN 9 HN ASN 9 38.081 27.663 10.062 48 HA ASN 9 HA ASN 9 37.599 25.022 8.913 49 HB2 ASN 9 HB2 ASN 9 38.060 24.952 11.507 50 HB3 ASN 9 HB1 ASN 9 36.403 25.547 11.603 51 HD21 ASN 9 HD21 ASN 9 35.176 24.181 9.480 52 HD22 ASN 9 HD22 ASN 9 35.246 22.509 9.766 53 H TYR 10 HN TYR 10 36.884 27.368 7.764 54 HA TYR 10 HA TYR 10 34.583 28.686 8.358 55 HB2 TYR 10 HB2 TYR 10 36.046 28.855 6.251 56 HB3 TYR 10 HB1 TYR 10 35.016 27.587 5.586 57 HD1 TYR 10 HD1 TYR 10 35.036 31.035 6.966 58 HD2 TYR 10 HD2 TYR 10 32.772 28.038 4.883 59 HE1 TYR 10 HE1 TYR 10 33.308 32.725 6.414 60 HE2 TYR 10 HE2 TYR 10 31.043 29.729 4.331 61 HH TYR 10 HH TYR 10 31.491 33.147 5.141 62 H TYR 11 HN TYR 11 34.518 25.813 6.239 63 HA TYR 11 HA TYR 11 31.769 25.382 6.350 64 HB2 TYR 11 HB2 TYR 11 32.552 22.891 5.943 65 HB3 TYR 11 HB1 TYR 11 32.795 24.123 4.705 66 HD1 TYR 11 HD2 TYR 11 34.457 22.385 7.556 67 HD2 TYR 11 HD1 TYR 11 34.976 24.744 4.003 68 HE1 TYR 11 HE2 TYR 11 36.907 22.019 7.670 69 HE2 TYR 11 HE1 TYR 11 37.425 24.378 4.119 70 HH TYR 11 HH TYR 11 38.839 22.059 6.225 71 H GLY 12 HN GLY 12 30.664 23.490 7.379 72 HA2 GLY 12 HA2 GLY 12 31.340 23.430 10.233 73 HA3 GLY 12 HA1 GLY 12 29.804 22.951 9.519 74 H ALA 13 HN ALA 13 29.433 20.839 9.652 75 HA ALA 13 HA ALA 13 31.418 18.934 10.336 76 HB1 ALA 13 HB1 ALA 13 28.771 18.268 9.055 77 HB2 ALA 13 HB2 ALA 13 28.886 18.806 10.732 78 HB3 ALA 13 HB3 ALA 13 29.692 17.321 10.225 79 H ASP 14 HN ASP 14 32.903 19.694 8.522 80 HA ASP 14 HA ASP 14 32.533 17.882 6.230 81 HB2 ASP 14 HB2 ASP 14 31.903 20.286 5.663 82 HB3 ASP 14 HB1 ASP 14 33.603 20.686 5.907 83 H ASN 15 HN ASN 15 34.064 17.224 8.385 84 HA ASN 15 HA ASN 15 36.775 17.361 7.248 85 HB2 ASN 15 HB2 ASN 15 36.038 17.932 10.125 86 HB3 ASN 15 HB1 ASN 15 37.683 17.620 9.573 87 HD21 ASN 15 HD21 ASN 15 35.481 20.113 10.147 88 HD22 ASN 15 HD22 ASN 15 36.203 21.312 9.186 89 H GLN 16 HN GLN 16 35.723 16.101 10.360 90 HA GLN 16 HA GLN 16 36.294 14.007 11.254 91 HB2 GLN 16 HB2 GLN 16 34.605 12.350 10.380 92 HB3 GLN 16 HB1 GLN 16 33.939 13.893 10.913 93 HG2 GLN 16 HG2 GLN 16 34.703 13.453 8.031 94 HG3 GLN 16 HG1 GLN 16 33.130 12.944 8.640 95 HE21 GLN 16 HE21 GLN 16 32.847 14.847 6.779 96 HE22 GLN 16 HE22 GLN 16 32.576 16.380 7.454 97 H SER 17 HN SER 17 38.359 14.507 9.573 98 HA SER 17 HA SER 17 38.925 12.984 7.400 99 HB2 SER 17 HB2 SER 17 41.276 12.814 8.295 100 HB3 SER 17 HB1 SER 17 40.604 14.442 8.300 101 HG SER 17 HG SER 17 40.230 14.263 10.477 102 H GLU 18 HN GLU 18 38.245 10.949 7.078 103 HA GLU 18 HA GLU 18 37.797 8.970 8.968 104 HB2 GLU 18 HB2 GLU 18 38.170 9.063 6.048 105 HB3 GLU 18 HB1 GLU 18 38.543 7.505 6.787 106 HG2 GLU 18 HG2 GLU 18 36.355 7.437 7.856 107 HG3 GLU 18 HG1 GLU 18 35.980 9.052 7.255 108 H CYS 19 HN CYS 19 39.410 8.798 10.509 109 HA CYS 19 HA CYS 19 42.115 8.090 9.607 110 HB2 CYS 19 HB2 CYS 19 41.055 8.724 12.372 111 HB3 CYS 19 HB1 CYS 19 42.742 8.402 11.974 112 HG CYS 19 HG CYS 19 42.765 10.582 10.521 113 H GLU 20 HN GLU 20 40.214 6.148 9.074 114 HA GLU 20 HA GLU 20 41.151 3.988 10.827 115 HB2 GLU 20 HB2 GLU 20 38.241 4.436 10.117 116 HB3 GLU 20 HB1 GLU 20 38.885 3.037 10.978 117 HG2 GLU 20 HG2 GLU 20 39.825 4.687 12.682 118 HG3 GLU 20 HG1 GLU 20 38.834 5.916 11.900 119 H TYR 21 HN TYR 21 39.556 4.996 7.845 120 HA TYR 21 HA TYR 21 39.412 2.549 6.517 121 HB2 TYR 21 HB2 TYR 21 38.785 3.797 4.739 122 HB3 TYR 21 HB1 TYR 21 38.850 5.152 5.865 123 HD1 TYR 21 HD2 TYR 21 40.900 6.571 6.006 124 HD2 TYR 21 HD1 TYR 21 40.435 3.524 3.015 125 HE1 TYR 21 HE2 TYR 21 42.746 7.579 4.691 126 HE2 TYR 21 HE1 TYR 21 42.281 4.531 1.700 127 HH TYR 21 HH TYR 21 44.421 6.769 2.957 128 H THR 22 HN THR 22 42.150 4.155 7.627 129 HA THR 22 HA THR 22 43.908 2.939 5.604 130 HB THR 22 HB THR 22 44.843 4.721 7.837 131 HG1 THR 22 HG1 THR 22 43.444 5.387 5.489 132 HG21 THR 22 HG21 THR 22 46.243 3.378 6.008 133 HG22 THR 22 HG22 THR 22 46.721 4.994 6.527 134 HG23 THR 22 HG23 THR 22 45.831 4.780 5.020 135 H ASP 23 HN ASP 23 42.709 2.464 8.747 136 HA ASP 23 HA ASP 23 44.758 0.392 9.242 137 HB2 ASP 23 HB2 ASP 23 43.680 2.486 11.102 138 HB3 ASP 23 HB1 ASP 23 44.221 0.933 11.740 139 H TRP 24 HN TRP 24 41.913 0.522 8.130 140 HA TRP 24 HA TRP 24 40.033 -0.540 9.854 141 HB2 TRP 24 HB2 TRP 24 39.305 -1.837 7.664 142 HB3 TRP 24 HB1 TRP 24 39.150 -0.088 7.773 143 HD1 TRP 24 HD1 TRP 24 42.583 -1.673 7.326 144 HE1 TRP 24 HE1 TRP 24 43.493 -1.049 4.998 145 HE3 TRP 24 HE3 TRP 24 38.442 0.551 5.329 146 HZ2 TRP 24 HZ2 TRP 24 42.585 0.227 2.604 147 HZ3 TRP 24 HZ3 TRP 24 38.493 1.460 3.024 148 HH2 TRP 24 HH2 TRP 24 40.557 1.302 1.661 149 H LYS 25 HN LYS 25 40.836 -2.927 7.507 150 HA LYS 25 HA LYS 25 41.010 -4.968 9.516 151 HB2 LYS 25 HB2 LYS 25 41.434 -6.470 7.569 152 HB3 LYS 25 HB1 LYS 25 39.983 -5.485 7.386 153 HG2 LYS 25 HG2 LYS 25 40.808 -4.489 5.544 154 HG3 LYS 25 HG1 LYS 25 42.308 -4.078 6.376 155 HD2 LYS 25 HD2 LYS 25 43.151 -6.369 5.973 156 HD3 LYS 25 HD1 LYS 25 41.661 -6.758 5.114 157 HE2 LYS 25 HE2 LYS 25 42.144 -5.219 3.363 158 HE3 LYS 25 HE1 LYS 25 43.415 -4.435 4.302 159 HZ1 LYS 25 HZ1 LYS 25 43.472 -7.212 3.254 160 HZ2 LYS 25 HZ2 LYS 25 44.680 -6.508 4.218 161 HZ3 LYS 25 HZ3 LYS 25 44.370 -5.902 2.661 162 H SER 26 HN SER 26 42.873 -3.888 10.632 163 HA SER 26 HA SER 26 45.309 -5.256 9.926 164 HB2 SER 26 HB2 SER 26 45.540 -3.341 8.442 165 HB3 SER 26 HB1 SER 26 45.202 -2.235 9.769 166 HG SER 26 HG SER 26 47.235 -4.085 10.166 167 H SER 27 HN SER 27 44.060 -2.490 11.805 168 HA SER 27 HA SER 27 44.382 -3.710 14.315 169 HB2 SER 27 HB2 SER 27 46.353 -2.229 15.065 170 HB3 SER 27 HB1 SER 27 46.727 -3.663 14.114 171 HG SER 27 HG SER 27 46.996 -0.998 13.501 172 H GLY 28 HN GLY 28 42.650 -1.918 12.745 173 HA2 GLY 28 HA2 GLY 28 42.600 0.451 14.519 174 HA3 GLY 28 HA1 GLY 28 41.944 0.414 12.885 175 H ALA 29 HN ALA 29 41.467 -2.356 14.888 176 HA ALA 29 HA ALA 29 38.681 -1.522 15.438 177 HB1 ALA 29 HB1 ALA 29 39.304 -3.381 13.575 178 HB2 ALA 29 HB2 ALA 29 37.820 -3.420 14.527 179 HB3 ALA 29 HB3 ALA 29 39.202 -4.403 15.009 180 H LEU 30 HN LEU 30 41.431 -1.919 16.922 181 HA LEU 30 HA LEU 30 40.275 -3.396 19.215 182 HB2 LEU 30 HB2 LEU 30 42.589 -4.025 19.819 183 HB3 LEU 30 HB1 LEU 30 42.128 -4.657 18.238 184 HG LEU 30 HG LEU 30 43.161 -2.174 17.607 185 HD11 LEU 30 HD11 LEU 30 43.924 -2.076 20.042 186 HD12 LEU 30 HD12 LEU 30 45.189 -1.855 18.834 187 HD13 LEU 30 HD13 LEU 30 45.016 -3.405 19.657 188 HD21 LEU 30 HD21 LEU 30 43.584 -4.307 16.437 189 HD22 LEU 30 HD22 LEU 30 44.611 -4.838 17.770 190 HD23 LEU 30 HD23 LEU 30 45.098 -3.468 16.771 191 H ILE 31 HN ILE 31 42.255 -0.694 18.123 192 HA ILE 31 HA ILE 31 42.747 0.344 20.738 193 HB ILE 31 HB ILE 31 43.413 1.033 17.993 194 HG12 ILE 31 HG12 ILE 31 44.928 0.300 19.888 195 HG13 ILE 31 HG11 ILE 31 45.470 1.720 18.998 196 HG21 ILE 31 HG21 ILE 31 42.725 3.319 19.873 197 HG22 ILE 31 HG22 ILE 31 42.033 3.005 18.280 198 HG23 ILE 31 HG23 ILE 31 43.720 3.481 18.429 199 HD11 ILE 31 HD11 ILE 31 45.239 1.573 21.739 200 HD12 ILE 31 HD12 ILE 31 43.732 2.366 21.286 201 HD13 ILE 31 HD13 ILE 31 45.275 3.069 20.810 202 HA PRO 32 HA PRO 32 39.073 3.312 19.368 203 HB2 PRO 32 HB2 PRO 32 37.359 1.247 18.091 204 HB3 PRO 32 HB1 PRO 32 37.641 2.932 17.616 205 HG2 PRO 32 HG2 PRO 32 38.694 0.901 16.252 206 HG3 PRO 32 HG1 PRO 32 39.561 2.430 16.469 207 HD2 PRO 32 HD2 PRO 32 39.998 -0.196 17.839 208 HD3 PRO 32 HD1 PRO 32 41.186 1.029 17.341 209 H ALA 33 HN ALA 33 38.505 -0.131 20.040 210 HA ALA 33 HA ALA 33 36.228 0.129 21.655 211 HB1 ALA 33 HB1 ALA 33 37.455 -1.993 20.721 212 HB2 ALA 33 HB2 ALA 33 36.560 -2.095 22.238 213 HB3 ALA 33 HB3 ALA 33 38.317 -1.934 22.259 214 H ILE 34 HN ILE 34 39.637 0.565 22.365 215 HA ILE 34 HA ILE 34 39.115 0.872 25.224 216 HB ILE 34 HB ILE 34 41.625 0.895 23.553 217 HG12 ILE 34 HG12 ILE 34 41.253 -0.832 25.939 218 HG13 ILE 34 HG11 ILE 34 40.201 -1.186 24.567 219 HG21 ILE 34 HG21 ILE 34 42.115 2.524 25.192 220 HG22 ILE 34 HG22 ILE 34 42.722 1.026 25.898 221 HG23 ILE 34 HG23 ILE 34 41.176 1.688 26.429 222 HD11 ILE 34 HD11 ILE 34 42.053 -1.544 23.110 223 HD12 ILE 34 HD12 ILE 34 42.457 -2.398 24.599 224 HD13 ILE 34 HD13 ILE 34 43.187 -0.830 24.256 225 H TYR 35 HN TYR 35 39.068 2.777 22.456 226 HA TYR 35 HA TYR 35 40.037 5.225 23.661 227 HB2 TYR 35 HB2 TYR 35 40.039 4.519 21.139 228 HB3 TYR 35 HB1 TYR 35 38.387 5.136 21.158 229 HD1 TYR 35 HD1 TYR 35 37.983 7.510 22.016 230 HD2 TYR 35 HD2 TYR 35 41.887 5.996 21.052 231 HE1 TYR 35 HE1 TYR 35 38.846 9.831 21.864 232 HE2 TYR 35 HE2 TYR 35 42.748 8.316 20.901 233 HH TYR 35 HH TYR 35 41.150 10.954 22.121 234 H MET 36 HN MET 36 36.913 3.756 22.894 235 HA MET 36 HA MET 36 35.410 6.059 23.776 236 HB2 MET 36 HB2 MET 36 34.299 3.284 23.408 237 HB3 MET 36 HB1 MET 36 33.485 4.834 23.192 238 HG2 MET 36 HG2 MET 36 35.550 5.082 21.424 239 HG3 MET 36 HG1 MET 36 35.230 3.351 21.328 240 HE1 MET 36 HE1 MET 36 33.535 6.879 21.402 241 HE2 MET 36 HE2 MET 36 32.801 6.837 19.800 242 HE3 MET 36 HE3 MET 36 34.542 6.627 19.969 243 H LEU 37 HN LEU 37 36.446 2.983 25.129 244 HA LEU 37 HA LEU 37 34.822 2.806 27.373 245 HB2 LEU 37 HB2 LEU 37 37.335 1.687 26.500 246 HB3 LEU 37 HB1 LEU 37 37.399 2.054 28.223 247 HG LEU 37 HG LEU 37 35.288 0.821 28.568 248 HD11 LEU 37 HD11 LEU 37 35.301 0.907 25.633 249 HD12 LEU 37 HD12 LEU 37 33.952 0.672 26.744 250 HD13 LEU 37 HD13 LEU 37 34.959 -0.699 26.278 251 HD21 LEU 37 HD21 LEU 37 37.558 -0.315 28.627 252 HD22 LEU 37 HD22 LEU 37 37.241 -0.869 26.983 253 HD23 LEU 37 HD23 LEU 37 36.199 -1.393 28.306 254 H VAL 38 HN VAL 38 37.129 5.189 26.590 255 HA VAL 38 HA VAL 38 37.346 6.079 29.391 256 HB VAL 38 HB VAL 38 38.846 7.016 26.932 257 HG11 VAL 38 HG11 VAL 38 38.869 8.808 28.471 258 HG12 VAL 38 HG12 VAL 38 40.361 7.937 28.823 259 HG13 VAL 38 HG13 VAL 38 38.952 7.727 29.862 260 HG21 VAL 38 HG21 VAL 38 40.754 5.837 28.201 261 HG22 VAL 38 HG22 VAL 38 39.577 4.799 27.396 262 HG23 VAL 38 HG23 VAL 38 39.484 5.050 29.139 263 H PHE 39 HN PHE 39 35.654 6.662 26.515 264 HA PHE 39 HA PHE 39 35.103 9.470 27.158 265 HB2 PHE 39 HB2 PHE 39 35.541 8.531 24.776 266 HB3 PHE 39 HB1 PHE 39 33.879 7.949 24.873 267 HD1 PHE 39 HD2 PHE 39 32.002 9.563 25.217 268 HD2 PHE 39 HD1 PHE 39 36.035 10.866 24.519 269 HE1 PHE 39 HE2 PHE 39 31.173 11.834 24.667 270 HE2 PHE 39 HE1 PHE 39 35.206 13.137 23.969 271 HZ PHE 39 HZ PHE 39 32.775 13.621 24.042 272 H LEU 40 HN LEU 40 33.104 6.657 26.220 273 HA LEU 40 HA LEU 40 30.667 7.617 27.131 274 HB2 LEU 40 HB2 LEU 40 29.962 5.251 27.259 275 HB3 LEU 40 HB1 LEU 40 30.866 5.581 25.782 276 HG LEU 40 HG LEU 40 32.870 4.888 27.540 277 HD11 LEU 40 HD11 LEU 40 32.192 3.012 28.829 278 HD12 LEU 40 HD12 LEU 40 30.639 2.904 28.001 279 HD13 LEU 40 HD13 LEU 40 30.948 4.226 29.125 280 HD21 LEU 40 HD21 LEU 40 32.723 2.638 26.334 281 HD22 LEU 40 HD22 LEU 40 32.794 4.061 25.296 282 HD23 LEU 40 HD23 LEU 40 31.254 3.250 25.575 283 H LEU 41 HN LEU 41 33.398 6.594 28.937 284 HA LEU 41 HA LEU 41 32.033 5.875 31.354 285 HB2 LEU 41 HB2 LEU 41 34.692 5.822 30.394 286 HB3 LEU 41 HB1 LEU 41 34.701 6.837 31.836 287 HG LEU 41 HG LEU 41 33.498 4.058 31.668 288 HD11 LEU 41 HD11 LEU 41 36.098 4.424 31.633 289 HD12 LEU 41 HD12 LEU 41 35.408 3.245 32.747 290 HD13 LEU 41 HD13 LEU 41 35.877 4.842 33.332 291 HD21 LEU 41 HD21 LEU 41 33.174 6.244 33.525 292 HD22 LEU 41 HD22 LEU 41 33.975 4.896 34.330 293 HD23 LEU 41 HD23 LEU 41 32.412 4.655 33.551 294 H GLY 42 HN GLY 42 33.735 8.792 30.232 295 HA2 GLY 42 HA2 GLY 42 32.982 10.282 32.607 296 HA3 GLY 42 HA1 GLY 42 33.889 10.895 31.228 297 H THR 43 HN THR 43 31.153 9.224 30.222 298 HA THR 43 HA THR 43 29.415 11.589 30.285 299 HB THR 43 HB THR 43 30.012 10.105 27.720 300 HG1 THR 43 HG1 THR 43 31.208 12.278 28.962 301 HG21 THR 43 HG21 THR 43 28.309 11.295 26.860 302 HG22 THR 43 HG22 THR 43 28.947 12.795 27.535 303 HG23 THR 43 HG23 THR 43 27.895 11.767 28.508 304 H THR 44 HN THR 44 28.146 9.790 27.956 305 HA THR 44 HA THR 44 26.363 8.349 27.832 306 HB THR 44 HB THR 44 27.746 7.032 30.181 307 HG1 THR 44 HG1 THR 44 28.075 5.799 27.856 308 HG21 THR 44 HG21 THR 44 25.606 6.148 28.241 309 HG22 THR 44 HG22 THR 44 25.556 6.127 30.004 310 HG23 THR 44 HG23 THR 44 26.593 4.994 29.138 311 H GLY 45 HN GLY 45 26.824 8.091 31.329 312 HA2 GLY 45 HA2 GLY 45 24.417 9.704 31.803 313 HA3 GLY 45 HA1 GLY 45 24.427 8.037 32.375 314 H ASN 46 HN ASN 46 26.750 10.737 32.366 315 HA ASN 46 HA ASN 46 26.888 10.631 35.285 316 HB2 ASN 46 HB2 ASN 46 28.872 9.598 35.341 317 HB3 ASN 46 HB1 ASN 46 28.847 9.442 33.586 318 HD21 ASN 46 HD21 ASN 46 29.831 11.232 32.319 319 HD22 ASN 46 HD22 ASN 46 30.994 12.237 33.041 320 H GLY 47 HN GLY 47 26.636 12.640 35.951 321 HA2 GLY 47 HA2 GLY 47 26.949 14.919 36.175 322 HA3 GLY 47 HA1 GLY 47 28.231 14.812 34.973 323 H LEU 48 HN LEU 48 27.114 14.021 32.718 324 HA LEU 48 HA LEU 48 25.835 16.254 31.669 325 HB2 LEU 48 HB2 LEU 48 26.806 13.865 30.657 326 HB3 LEU 48 HB1 LEU 48 25.079 13.782 30.311 327 HG LEU 48 HG LEU 48 25.247 16.124 29.367 328 HD11 LEU 48 HD11 LEU 48 28.061 15.982 28.755 329 HD12 LEU 48 HD12 LEU 48 27.839 15.950 30.503 330 HD13 LEU 48 HD13 LEU 48 27.170 17.277 29.555 331 HD21 LEU 48 HD21 LEU 48 26.260 15.366 27.241 332 HD22 LEU 48 HD22 LEU 48 25.206 14.125 27.919 333 HD23 LEU 48 HD23 LEU 48 26.957 13.974 28.072 334 H VAL 49 HN VAL 49 24.390 13.166 32.708 335 HA VAL 49 HA VAL 49 21.763 13.520 32.082 336 HB VAL 49 HB VAL 49 23.061 12.326 34.518 337 HG11 VAL 49 HG11 VAL 49 20.665 11.357 34.873 338 HG12 VAL 49 HG12 VAL 49 20.134 12.768 33.958 339 HG13 VAL 49 HG13 VAL 49 21.012 12.978 35.472 340 HG21 VAL 49 HG21 VAL 49 21.283 10.837 32.655 341 HG22 VAL 49 HG22 VAL 49 22.808 10.343 33.391 342 HG23 VAL 49 HG23 VAL 49 22.812 11.408 31.986 343 H LEU 50 HN LEU 50 23.294 14.706 35.081 344 HA LEU 50 HA LEU 50 20.986 16.183 35.903 345 HB2 LEU 50 HB2 LEU 50 23.821 16.681 36.811 346 HB3 LEU 50 HB1 LEU 50 22.325 16.962 37.703 347 HG LEU 50 HG LEU 50 22.167 14.272 37.057 348 HD11 LEU 50 HD11 LEU 50 24.609 14.521 36.332 349 HD12 LEU 50 HD12 LEU 50 24.280 13.263 37.525 350 HD13 LEU 50 HD13 LEU 50 24.981 14.800 38.034 351 HD21 LEU 50 HD21 LEU 50 21.525 15.123 39.204 352 HD22 LEU 50 HD22 LEU 50 23.152 15.721 39.527 353 HD23 LEU 50 HD23 LEU 50 22.839 13.985 39.505 354 H TRP 51 HN TRP 51 24.191 17.250 34.739 355 HA TRP 51 HA TRP 51 23.802 19.947 34.553 356 HB2 TRP 51 HB2 TRP 51 25.881 19.620 33.755 357 HB3 TRP 51 HB1 TRP 51 25.494 17.991 33.205 358 HD1 TRP 51 HD1 TRP 51 24.296 17.782 30.773 359 HE1 TRP 51 HE1 TRP 51 24.491 19.290 28.691 360 HE3 TRP 51 HE3 TRP 51 26.221 21.999 32.916 361 HZ2 TRP 51 HZ2 TRP 51 25.350 21.935 28.023 362 HZ3 TRP 51 HZ3 TRP 51 26.717 23.996 31.535 363 HH2 TRP 51 HH2 TRP 51 26.286 23.969 29.094 364 H THR 52 HN THR 52 22.431 17.456 32.510 365 HA THR 52 HA THR 52 21.433 19.313 30.529 366 HB THR 52 HB THR 52 21.030 16.367 31.035 367 HG1 THR 52 HG1 THR 52 22.273 17.973 29.071 368 HG21 THR 52 HG21 THR 52 19.572 18.229 29.175 369 HG22 THR 52 HG22 THR 52 18.917 16.944 30.190 370 HG23 THR 52 HG23 THR 52 19.826 16.542 28.733 371 H VAL 53 HN VAL 53 20.079 17.433 33.218 372 HA VAL 53 HA VAL 53 17.384 18.156 32.883 373 HB VAL 53 HB VAL 53 18.876 17.546 35.446 374 HG11 VAL 53 HG11 VAL 53 15.978 17.856 34.727 375 HG12 VAL 53 HG12 VAL 53 16.830 18.382 36.179 376 HG13 VAL 53 HG13 VAL 53 16.434 16.678 35.957 377 HG21 VAL 53 HG21 VAL 53 18.462 15.933 33.202 378 HG22 VAL 53 HG22 VAL 53 17.170 15.469 34.309 379 HG23 VAL 53 HG23 VAL 53 18.853 15.371 34.828 380 H PHE 54 HN PHE 54 19.942 20.161 33.398 381 HA PHE 54 HA PHE 54 18.291 22.157 34.832 382 HB2 PHE 54 HB2 PHE 54 20.846 21.187 35.468 383 HB3 PHE 54 HB1 PHE 54 21.113 22.787 34.776 384 HD1 PHE 54 HD1 PHE 54 18.952 24.433 35.538 385 HD2 PHE 54 HD2 PHE 54 20.757 21.258 37.800 386 HE1 PHE 54 HE1 PHE 54 18.158 25.480 37.640 387 HE2 PHE 54 HE2 PHE 54 19.963 22.305 39.901 388 HZ PHE 54 HZ PHE 54 18.664 24.416 39.822 389 H ARG 55 HN ARG 55 19.602 21.301 31.878 390 HA ARG 55 HA ARG 55 20.067 24.037 30.961 391 HB2 ARG 55 HB2 ARG 55 20.461 21.308 29.767 392 HB3 ARG 55 HB1 ARG 55 20.443 22.738 28.734 393 HG2 ARG 55 HG2 ARG 55 22.114 22.918 31.184 394 HG3 ARG 55 HG1 ARG 55 22.690 21.822 29.928 395 HD2 ARG 55 HD2 ARG 55 23.598 24.098 29.614 396 HD3 ARG 55 HD1 ARG 55 22.562 23.628 28.269 397 HE ARG 55 HE ARG 55 21.022 25.258 28.936 398 HH11 ARG 55 HH21 ARG 55 23.496 24.763 31.303 399 HH12 ARG 55 HH22 ARG 55 23.067 26.154 32.243 400 HH21 ARG 55 HH11 ARG 55 20.454 27.083 30.161 401 HH22 ARG 55 HH12 ARG 55 21.344 27.467 31.596 402 H LYS 56 HN LYS 56 17.626 21.578 30.914 403 HA LYS 56 HA LYS 56 16.121 22.834 28.761 404 HB2 LYS 56 HB2 LYS 56 15.011 20.691 30.539 405 HB3 LYS 56 HB1 LYS 56 14.730 20.974 28.822 406 HG2 LYS 56 HG2 LYS 56 17.342 20.496 28.673 407 HG3 LYS 56 HG1 LYS 56 17.031 19.618 30.170 408 HD2 LYS 56 HD2 LYS 56 16.599 17.937 28.640 409 HD3 LYS 56 HD1 LYS 56 14.989 18.647 28.764 410 HE2 LYS 56 HE2 LYS 56 15.565 18.371 26.408 411 HE3 LYS 56 HE1 LYS 56 15.515 20.090 26.796 412 HZ1 LYS 56 HZ1 LYS 56 18.019 18.515 26.896 413 HZ2 LYS 56 HZ2 LYS 56 17.840 20.205 26.869 414 HZ3 LYS 56 HZ3 LYS 56 17.495 19.290 25.481 415 H LYS 57 HN LYS 57 16.395 23.056 32.169 416 HA LYS 57 HA LYS 57 13.718 24.155 32.544 417 HB2 LYS 57 HB2 LYS 57 15.788 24.376 34.676 418 HB3 LYS 57 HB1 LYS 57 14.079 23.972 34.807 419 HG2 LYS 57 HG2 LYS 57 16.230 22.131 33.711 420 HG3 LYS 57 HG1 LYS 57 15.516 22.023 35.316 421 HD2 LYS 57 HD2 LYS 57 13.316 22.113 33.592 422 HD3 LYS 57 HD1 LYS 57 14.471 21.055 32.782 423 HE2 LYS 57 HE2 LYS 57 14.741 19.833 34.984 424 HE3 LYS 57 HE1 LYS 57 13.379 20.774 35.591 425 HZ1 LYS 57 HZ1 LYS 57 12.865 19.588 33.034 426 HZ2 LYS 57 HZ2 LYS 57 11.942 19.534 34.459 427 HZ3 LYS 57 HZ3 LYS 57 13.212 18.431 34.224 428 H GLY 58 HN GLY 58 15.344 25.542 30.685 429 HA2 GLY 58 HA2 GLY 58 16.111 27.998 32.125 430 HA3 GLY 58 HA1 GLY 58 16.611 27.573 30.491 431 H HIS 59 HN HIS 59 13.938 28.720 32.470 432 HA HIS 59 HA HIS 59 12.065 29.075 30.362 433 HB2 HIS 59 HB2 HIS 59 12.197 30.673 32.922 434 HB3 HIS 59 HB1 HIS 59 10.775 30.324 31.938 435 HD2 HIS 59 HD2 HIS 59 11.651 26.992 31.684 436 HE1 HIS 59 HE1 HIS 59 10.859 27.100 35.830 437 HE2 HIS 59 HE2 HIS 59 11.150 25.576 33.820 438 H HIS 60 HN HIS 60 14.864 30.814 31.326 439 HA HIS 60 HA HIS 60 14.284 33.431 30.584 440 HB2 HIS 60 HB2 HIS 60 16.695 31.799 30.913 441 HB3 HIS 60 HB1 HIS 60 16.879 33.084 29.719 442 HD2 HIS 60 HD2 HIS 60 15.328 35.548 31.093 443 HE1 HIS 60 HE1 HIS 60 17.531 34.690 34.590 444 HE2 HIS 60 HE2 HIS 60 16.130 36.448 33.408 445 H HIS 61 HN HIS 61 13.012 33.651 28.775 446 HA HIS 61 HA HIS 61 14.016 32.542 26.239 447 HB2 HIS 61 HB2 HIS 61 11.375 33.135 27.327 448 HB3 HIS 61 HB1 HIS 61 11.603 33.799 25.709 449 HD2 HIS 61 HD2 HIS 61 11.301 30.309 27.450 450 HE1 HIS 61 HE1 HIS 61 11.764 29.644 23.306 451 HE2 HIS 61 HE2 HIS 61 11.247 28.537 25.533 452 H HIS 62 HN HIS 62 14.609 33.827 24.542 453 HA HIS 62 HA HIS 62 14.117 36.654 24.495 454 HB2 HIS 62 HB2 HIS 62 15.877 36.991 25.969 455 HB3 HIS 62 HB1 HIS 62 16.770 35.587 25.383 456 HD2 HIS 62 HD2 HIS 62 18.749 36.252 23.573 457 HE1 HIS 62 HE1 HIS 62 17.306 40.066 22.484 458 HE2 HIS 62 HE2 HIS 62 19.203 38.406 22.170 459 H HIS 63 HN HIS 63 14.268 37.426 22.451 460 HA HIS 63 HA HIS 63 15.958 36.199 20.468 461 HB2 HIS 63 HB2 HIS 63 13.459 35.046 20.815 462 HB3 HIS 63 HB1 HIS 63 13.224 36.149 19.460 463 HD2 HIS 63 HD2 HIS 63 16.265 33.681 20.273 464 HE1 HIS 63 HE1 HIS 63 15.100 33.205 16.243 465 HE2 HIS 63 HE2 HIS 63 16.740 32.440 18.026 466 H HIS 64 HN HIS 64 16.218 37.488 18.645 467 HA HIS 64 HA HIS 64 15.880 40.237 18.914 468 HB2 HIS 64 HB2 HIS 64 17.335 38.829 17.250 469 HB3 HIS 64 HB1 HIS 64 15.931 38.977 16.192 470 HD2 HIS 64 HD2 HIS 64 18.761 40.706 15.576 471 HE1 HIS 64 HE1 HIS 64 16.403 44.028 16.681 472 HE2 HIS 64 HE2 HIS 64 18.531 43.305 15.498 Start of MODEL 26 1 H1 MET 1 HT1 MET 1 45.075 -6.481 -34.920 2 H2 MET 1 HT2 MET 1 46.140 -7.703 -35.424 3 H3 MET 1 HT3 MET 1 46.504 -6.073 -35.735 4 HA MET 1 HA MET 1 47.848 -6.500 -33.936 5 HB2 MET 1 HB2 MET 1 45.175 -5.411 -33.066 6 HB3 MET 1 HB1 MET 1 46.497 -5.585 -31.910 7 HG2 MET 1 HG2 MET 1 47.850 -4.032 -33.027 8 HG3 MET 1 HG1 MET 1 46.972 -4.213 -34.545 9 HE1 MET 1 HE1 MET 1 44.374 -3.826 -34.614 10 HE2 MET 1 HE2 MET 1 45.299 -2.521 -35.351 11 HE3 MET 1 HE3 MET 1 43.911 -2.141 -34.335 12 H GLU 2 HN GLU 2 47.688 -7.238 -31.457 13 HA GLU 2 HA GLU 2 46.151 -9.730 -31.233 14 HB2 GLU 2 HB2 GLU 2 48.458 -10.627 -30.218 15 HB3 GLU 2 HB1 GLU 2 48.050 -10.809 -31.924 16 HG2 GLU 2 HG2 GLU 2 49.415 -9.001 -32.570 17 HG3 GLU 2 HG1 GLU 2 49.473 -8.345 -30.936 18 H GLU 3 HN GLU 3 45.018 -9.411 -29.425 19 HA GLU 3 HA GLU 3 46.341 -9.057 -26.909 20 HB2 GLU 3 HB2 GLU 3 46.427 -6.744 -27.381 21 HB3 GLU 3 HB1 GLU 3 44.822 -6.749 -28.115 22 HG2 GLU 3 HG2 GLU 3 43.733 -6.827 -26.065 23 HG3 GLU 3 HG1 GLU 3 45.100 -7.587 -25.252 24 H GLY 4 HN GLY 4 45.250 -10.836 -26.180 25 HA2 GLY 4 HA2 GLY 4 43.399 -11.487 -24.788 26 HA3 GLY 4 HA1 GLY 4 42.344 -10.501 -25.794 27 H GLY 5 HN GLY 5 44.799 -12.647 -27.088 28 HA2 GLY 5 HA2 GLY 5 42.915 -13.973 -28.784 29 HA3 GLY 5 HA1 GLY 5 44.618 -14.383 -28.600 30 H ASP 6 HN ASP 6 44.728 -14.932 -25.879 31 HA ASP 6 HA ASP 6 43.195 -17.444 -25.775 32 HB2 ASP 6 HB2 ASP 6 45.848 -17.065 -25.438 33 HB3 ASP 6 HB1 ASP 6 45.306 -16.896 -23.770 34 H PHE 7 HN PHE 7 43.063 -18.063 -23.204 35 HA PHE 7 HA PHE 7 41.901 -15.779 -21.760 36 HB2 PHE 7 HB2 PHE 7 40.344 -17.722 -23.080 37 HB3 PHE 7 HB1 PHE 7 40.269 -18.122 -21.364 38 HD1 PHE 7 HD2 PHE 7 39.923 -15.269 -23.756 39 HD2 PHE 7 HD1 PHE 7 38.913 -16.870 -19.899 40 HE1 PHE 7 HE2 PHE 7 38.356 -13.383 -23.383 41 HE2 PHE 7 HE1 PHE 7 37.346 -14.985 -19.527 42 HZ PHE 7 HZ PHE 7 37.067 -13.241 -21.268 43 H ASP 8 HN ASP 8 41.569 -16.225 -19.467 44 HA ASP 8 HA ASP 8 43.039 -18.544 -18.419 45 HB2 ASP 8 HB2 ASP 8 44.484 -16.387 -18.634 46 HB3 ASP 8 HB1 ASP 8 43.547 -15.827 -17.251 47 H ASN 9 HN ASN 9 40.277 -18.210 -18.478 48 HA ASN 9 HA ASN 9 38.397 -18.143 -17.151 49 HB2 ASN 9 HB2 ASN 9 40.012 -19.953 -16.128 50 HB3 ASN 9 HB1 ASN 9 40.119 -18.805 -14.795 51 HD21 ASN 9 HD21 ASN 9 38.135 -18.339 -13.581 52 HD22 ASN 9 HD22 ASN 9 36.785 -19.362 -13.694 53 H TYR 10 HN TYR 10 39.630 -15.637 -17.500 54 HA TYR 10 HA TYR 10 40.234 -14.097 -15.318 55 HB2 TYR 10 HB2 TYR 10 39.936 -13.449 -17.828 56 HB3 TYR 10 HB1 TYR 10 38.286 -13.048 -17.348 57 HD1 TYR 10 HD1 TYR 10 41.860 -12.436 -16.430 58 HD2 TYR 10 HD2 TYR 10 37.816 -10.997 -16.293 59 HE1 TYR 10 HE1 TYR 10 42.657 -10.289 -15.480 60 HE2 TYR 10 HE2 TYR 10 38.612 -8.849 -15.345 61 HH TYR 10 HH TYR 10 41.922 -7.976 -15.298 62 H TYR 11 HN TYR 11 39.191 -14.654 -13.423 63 HA TYR 11 HA TYR 11 36.445 -15.066 -13.076 64 HB2 TYR 11 HB2 TYR 11 36.898 -14.472 -10.674 65 HB3 TYR 11 HB1 TYR 11 37.986 -15.694 -11.335 66 HD1 TYR 11 HD2 TYR 11 37.668 -12.114 -10.417 67 HD2 TYR 11 HD1 TYR 11 40.332 -15.257 -11.634 68 HE1 TYR 11 HE2 TYR 11 39.614 -10.673 -9.880 69 HE2 TYR 11 HE1 TYR 11 42.277 -13.816 -11.098 70 HH TYR 11 HH TYR 11 42.446 -10.931 -10.969 71 H GLY 12 HN GLY 12 35.522 -13.365 -11.152 72 HA2 GLY 12 HA2 GLY 12 35.755 -10.640 -11.431 73 HA3 GLY 12 HA1 GLY 12 34.647 -11.123 -12.711 74 H ALA 13 HN ALA 13 32.997 -12.892 -11.772 75 HA ALA 13 HA ALA 13 31.416 -11.470 -9.844 76 HB1 ALA 13 HB1 ALA 13 30.529 -12.856 -11.780 77 HB2 ALA 13 HB2 ALA 13 29.758 -13.143 -10.220 78 HB3 ALA 13 HB3 ALA 13 30.953 -14.284 -10.837 79 H ASP 14 HN ASP 14 33.148 -11.529 -8.158 80 HA ASP 14 HA ASP 14 32.767 -13.907 -6.461 81 HB2 ASP 14 HB2 ASP 14 35.223 -13.591 -5.779 82 HB3 ASP 14 HB1 ASP 14 34.912 -14.344 -7.342 83 H ASN 15 HN ASN 15 31.224 -11.858 -5.951 84 HA ASN 15 HA ASN 15 32.378 -10.700 -3.519 85 HB2 ASN 15 HB2 ASN 15 31.333 -9.145 -5.864 86 HB3 ASN 15 HB1 ASN 15 31.170 -8.500 -4.232 87 HD21 ASN 15 HD21 ASN 15 33.092 -8.023 -6.756 88 HD22 ASN 15 HD22 ASN 15 34.603 -7.853 -6.002 89 H GLN 16 HN GLN 16 29.440 -9.817 -5.257 90 HA GLN 16 HA GLN 16 27.307 -9.570 -4.311 91 HB2 GLN 16 HB2 GLN 16 26.244 -11.859 -4.286 92 HB3 GLN 16 HB1 GLN 16 27.096 -11.438 -5.772 93 HG2 GLN 16 HG2 GLN 16 28.493 -12.926 -3.554 94 HG3 GLN 16 HG1 GLN 16 27.527 -13.782 -4.752 95 HE21 GLN 16 HE21 GLN 16 30.149 -14.461 -4.853 96 HE22 GLN 16 HE22 GLN 16 30.946 -13.701 -6.145 97 H SER 17 HN SER 17 28.959 -9.081 -2.210 98 HA SER 17 HA SER 17 27.435 -10.249 -0.001 99 HB2 SER 17 HB2 SER 17 29.291 -11.731 0.013 100 HB3 SER 17 HB1 SER 17 30.433 -10.426 -0.297 101 HG SER 17 HG SER 17 30.363 -11.074 1.917 102 H GLU 18 HN GLU 18 26.804 -8.674 1.318 103 HA GLU 18 HA GLU 18 28.533 -6.314 1.669 104 HB2 GLU 18 HB2 GLU 18 26.125 -6.324 0.189 105 HB3 GLU 18 HB1 GLU 18 25.772 -5.520 1.718 106 HG2 GLU 18 HG2 GLU 18 27.803 -4.097 1.380 107 HG3 GLU 18 HG1 GLU 18 28.009 -4.833 -0.207 108 H CYS 19 HN CYS 19 28.878 -5.953 3.758 109 HA CYS 19 HA CYS 19 26.955 -5.763 5.756 110 HB2 CYS 19 HB2 CYS 19 27.725 -8.513 5.156 111 HB3 CYS 19 HB1 CYS 19 28.022 -8.082 6.839 112 HG CYS 19 HG CYS 19 25.568 -7.889 7.246 113 H GLU 20 HN GLU 20 28.049 -4.238 6.829 114 HA GLU 20 HA GLU 20 29.628 -3.306 8.222 115 HB2 GLU 20 HB2 GLU 20 29.730 -5.838 8.979 116 HB3 GLU 20 HB1 GLU 20 31.299 -5.783 8.178 117 HG2 GLU 20 HG2 GLU 20 31.903 -3.796 9.540 118 HG3 GLU 20 HG1 GLU 20 30.357 -3.921 10.376 119 H TYR 21 HN TYR 21 29.988 -4.093 5.133 120 HA TYR 21 HA TYR 21 32.745 -3.957 4.586 121 HB2 TYR 21 HB2 TYR 21 32.138 -3.599 2.339 122 HB3 TYR 21 HB1 TYR 21 30.792 -4.527 3.000 123 HD1 TYR 21 HD2 TYR 21 28.755 -3.228 3.887 124 HD2 TYR 21 HD1 TYR 21 31.777 -1.467 1.395 125 HE1 TYR 21 HE2 TYR 21 27.196 -1.394 3.295 126 HE2 TYR 21 HE1 TYR 21 30.218 0.369 0.803 127 HH TYR 21 HH TYR 21 27.187 0.326 0.956 128 H THR 22 HN THR 22 30.913 -1.719 6.144 129 HA THR 22 HA THR 22 32.190 0.637 4.963 130 HB THR 22 HB THR 22 30.086 0.298 7.107 131 HG1 THR 22 HG1 THR 22 29.523 0.064 4.865 132 HG21 THR 22 HG21 THR 22 31.758 2.637 6.322 133 HG22 THR 22 HG22 THR 22 31.043 2.239 7.884 134 HG23 THR 22 HG23 THR 22 30.043 2.929 6.607 135 H ASP 23 HN ASP 23 32.148 -1.244 7.952 136 HA ASP 23 HA ASP 23 34.253 0.473 9.081 137 HB2 ASP 23 HB2 ASP 23 32.210 -0.174 10.436 138 HB3 ASP 23 HB1 ASP 23 32.829 -1.824 10.432 139 H TRP 24 HN TRP 24 34.693 -1.414 6.848 140 HA TRP 24 HA TRP 24 35.894 -3.802 7.568 141 HB2 TRP 24 HB2 TRP 24 37.442 -3.221 5.514 142 HB3 TRP 24 HB1 TRP 24 35.725 -3.538 5.279 143 HD1 TRP 24 HD1 TRP 24 36.821 -0.243 6.827 144 HE1 TRP 24 HE1 TRP 24 36.301 1.669 5.181 145 HE3 TRP 24 HE3 TRP 24 35.467 -2.959 2.720 146 HZ2 TRP 24 HZ2 TRP 24 35.427 2.004 2.478 147 HZ3 TRP 24 HZ3 TRP 24 34.795 -1.819 0.625 148 HH2 TRP 24 HH2 TRP 24 34.774 0.658 0.498 149 H LYS 25 HN LYS 25 38.316 -1.753 6.268 150 HA LYS 25 HA LYS 25 39.977 -2.216 8.629 151 HB2 LYS 25 HB2 LYS 25 41.804 -1.335 7.152 152 HB3 LYS 25 HB1 LYS 25 40.997 -2.771 6.519 153 HG2 LYS 25 HG2 LYS 25 40.330 -1.658 4.682 154 HG3 LYS 25 HG1 LYS 25 39.607 -0.383 5.663 155 HD2 LYS 25 HD2 LYS 25 41.838 0.663 5.925 156 HD3 LYS 25 HD1 LYS 25 42.534 -0.591 4.900 157 HE2 LYS 25 HE2 LYS 25 40.310 0.427 3.485 158 HE3 LYS 25 HE1 LYS 25 41.171 1.830 4.117 159 HZ1 LYS 25 HZ1 LYS 25 43.212 0.971 3.170 160 HZ2 LYS 25 HZ2 LYS 25 42.030 1.142 1.961 161 HZ3 LYS 25 HZ3 LYS 25 42.399 -0.396 2.581 162 H SER 26 HN SER 26 38.851 -0.692 9.996 163 HA SER 26 HA SER 26 39.258 2.142 9.301 164 HB2 SER 26 HB2 SER 26 37.015 1.014 10.205 165 HB3 SER 26 HB1 SER 26 37.785 1.326 11.758 166 HG SER 26 HG SER 26 37.137 3.157 9.695 167 H SER 27 HN SER 27 39.684 -0.115 12.030 168 HA SER 27 HA SER 27 42.203 1.147 12.719 169 HB2 SER 27 HB2 SER 27 41.221 1.309 15.185 170 HB3 SER 27 HB1 SER 27 41.073 2.646 14.047 171 HG SER 27 HG SER 27 39.161 0.675 14.741 172 H GLY 28 HN GLY 28 40.795 -1.524 12.051 173 HA2 GLY 28 HA2 GLY 28 41.073 -3.744 12.591 174 HA3 GLY 28 HA1 GLY 28 42.538 -3.231 13.423 175 H ALA 29 HN ALA 29 39.787 -1.634 14.569 176 HA ALA 29 HA ALA 29 38.690 -1.698 16.587 177 HB1 ALA 29 HB1 ALA 29 38.761 -4.575 15.736 178 HB2 ALA 29 HB2 ALA 29 37.384 -3.477 15.840 179 HB3 ALA 29 HB3 ALA 29 38.098 -4.140 17.311 180 H LEU 30 HN LEU 30 41.762 -2.174 16.355 181 HA LEU 30 HA LEU 30 42.181 -3.215 19.091 182 HB2 LEU 30 HB2 LEU 30 44.042 -3.016 16.716 183 HB3 LEU 30 HB1 LEU 30 44.578 -3.445 18.342 184 HG LEU 30 HG LEU 30 42.233 -4.963 17.398 185 HD11 LEU 30 HD11 LEU 30 43.381 -4.878 15.273 186 HD12 LEU 30 HD12 LEU 30 43.695 -6.461 15.985 187 HD13 LEU 30 HD13 LEU 30 44.933 -5.206 16.043 188 HD21 LEU 30 HD21 LEU 30 44.928 -5.769 18.541 189 HD22 LEU 30 HD22 LEU 30 43.509 -6.807 18.405 190 HD23 LEU 30 HD23 LEU 30 43.486 -5.422 19.497 191 H ILE 31 HN ILE 31 41.233 -0.821 19.322 192 HA ILE 31 HA ILE 31 43.034 0.710 20.696 193 HB ILE 31 HB ILE 31 43.435 1.067 17.845 194 HG12 ILE 31 HG12 ILE 31 45.151 0.821 19.693 195 HG13 ILE 31 HG11 ILE 31 45.447 2.160 18.592 196 HG21 ILE 31 HG21 ILE 31 43.479 3.554 17.838 197 HG22 ILE 31 HG22 ILE 31 42.645 3.569 19.387 198 HG23 ILE 31 HG23 ILE 31 41.844 2.916 17.957 199 HD11 ILE 31 HD11 ILE 31 43.761 2.911 20.874 200 HD12 ILE 31 HD12 ILE 31 45.208 3.692 20.240 201 HD13 ILE 31 HD13 ILE 31 45.356 2.334 21.354 202 HA PRO 32 HA PRO 32 39.091 3.294 19.515 203 HB2 PRO 32 HB2 PRO 32 37.335 1.237 18.338 204 HB3 PRO 32 HB1 PRO 32 37.696 2.874 17.759 205 HG2 PRO 32 HG2 PRO 32 38.616 0.684 16.517 206 HG3 PRO 32 HG1 PRO 32 39.538 2.197 16.582 207 HD2 PRO 32 HD2 PRO 32 39.908 -0.307 18.196 208 HD3 PRO 32 HD1 PRO 32 41.137 0.767 17.493 209 H ALA 33 HN ALA 33 38.658 -0.160 20.230 210 HA ALA 33 HA ALA 33 36.424 -0.048 21.872 211 HB1 ALA 33 HB1 ALA 33 38.576 -1.915 21.362 212 HB2 ALA 33 HB2 ALA 33 36.908 -2.238 21.837 213 HB3 ALA 33 HB3 ALA 33 38.130 -1.923 23.069 214 H ILE 34 HN ILE 34 39.687 0.988 22.488 215 HA ILE 34 HA ILE 34 39.272 1.229 25.359 216 HB ILE 34 HB ILE 34 41.579 2.166 23.638 217 HG12 ILE 34 HG12 ILE 34 41.386 -0.309 25.375 218 HG13 ILE 34 HG11 ILE 34 41.090 -0.329 23.636 219 HG21 ILE 34 HG21 ILE 34 42.780 2.112 25.846 220 HG22 ILE 34 HG22 ILE 34 41.227 1.826 26.631 221 HG23 ILE 34 HG23 ILE 34 41.513 3.335 25.764 222 HD11 ILE 34 HD11 ILE 34 43.571 -0.603 24.870 223 HD12 ILE 34 HD12 ILE 34 43.561 1.071 24.312 224 HD13 ILE 34 HD13 ILE 34 43.297 -0.243 23.165 225 H TYR 35 HN TYR 35 39.628 3.353 22.540 226 HA TYR 35 HA TYR 35 39.592 5.828 23.810 227 HB2 TYR 35 HB2 TYR 35 39.468 4.906 21.175 228 HB3 TYR 35 HB1 TYR 35 37.996 5.854 21.387 229 HD1 TYR 35 HD1 TYR 35 38.242 8.187 22.498 230 HD2 TYR 35 HD2 TYR 35 41.525 5.983 20.819 231 HE1 TYR 35 HE1 TYR 35 39.566 10.279 22.339 232 HE2 TYR 35 HE2 TYR 35 42.848 8.075 20.661 233 HH TYR 35 HH TYR 35 41.748 11.059 22.110 234 H MET 36 HN MET 36 36.851 3.846 22.705 235 HA MET 36 HA MET 36 34.845 5.665 23.592 236 HB2 MET 36 HB2 MET 36 34.708 2.694 23.025 237 HB3 MET 36 HB1 MET 36 33.311 3.739 23.283 238 HG2 MET 36 HG2 MET 36 34.990 4.993 21.347 239 HG3 MET 36 HG1 MET 36 34.769 3.313 20.862 240 HE1 MET 36 HE1 MET 36 32.420 5.892 22.827 241 HE2 MET 36 HE2 MET 36 31.628 6.586 21.415 242 HE3 MET 36 HE3 MET 36 33.379 6.692 21.575 243 H LEU 37 HN LEU 37 36.139 2.642 24.967 244 HA LEU 37 HA LEU 37 34.603 2.453 27.248 245 HB2 LEU 37 HB2 LEU 37 36.325 0.796 26.518 246 HB3 LEU 37 HB1 LEU 37 37.577 1.904 27.073 247 HG LEU 37 HG LEU 37 36.603 1.824 29.365 248 HD11 LEU 37 HD11 LEU 37 34.609 0.118 27.935 249 HD12 LEU 37 HD12 LEU 37 34.367 1.261 29.255 250 HD13 LEU 37 HD13 LEU 37 35.042 -0.335 29.582 251 HD21 LEU 37 HD21 LEU 37 38.428 0.278 28.659 252 HD22 LEU 37 HD22 LEU 37 37.209 -0.914 28.209 253 HD23 LEU 37 HD23 LEU 37 37.388 -0.428 29.896 254 H VAL 38 HN VAL 38 37.068 4.765 26.474 255 HA VAL 38 HA VAL 38 37.167 5.745 29.241 256 HB VAL 38 HB VAL 38 38.751 6.549 26.789 257 HG11 VAL 38 HG11 VAL 38 40.187 7.563 28.751 258 HG12 VAL 38 HG12 VAL 38 38.652 7.546 29.620 259 HG13 VAL 38 HG13 VAL 38 38.808 8.463 28.121 260 HG21 VAL 38 HG21 VAL 38 38.988 4.249 28.230 261 HG22 VAL 38 HG22 VAL 38 40.029 5.322 29.165 262 HG23 VAL 38 HG23 VAL 38 40.351 5.056 27.452 263 H PHE 39 HN PHE 39 35.699 6.388 26.204 264 HA PHE 39 HA PHE 39 35.217 9.199 26.673 265 HB2 PHE 39 HB2 PHE 39 35.358 7.956 24.399 266 HB3 PHE 39 HB1 PHE 39 33.684 7.501 24.721 267 HD1 PHE 39 HD1 PHE 39 35.990 10.317 24.100 268 HD2 PHE 39 HD2 PHE 39 31.905 9.154 24.740 269 HE1 PHE 39 HE1 PHE 39 35.233 12.557 23.347 270 HE2 PHE 39 HE2 PHE 39 31.149 11.392 23.987 271 HZ PHE 39 HZ PHE 39 32.812 13.094 23.290 272 H LEU 40 HN LEU 40 32.948 6.473 26.242 273 HA LEU 40 HA LEU 40 30.747 7.786 27.406 274 HB2 LEU 40 HB2 LEU 40 29.739 5.531 27.551 275 HB3 LEU 40 HB1 LEU 40 30.469 5.828 25.974 276 HG LEU 40 HG LEU 40 32.580 4.773 27.403 277 HD11 LEU 40 HD11 LEU 40 31.823 2.919 28.685 278 HD12 LEU 40 HD12 LEU 40 30.173 3.076 28.083 279 HD13 LEU 40 HD13 LEU 40 30.816 4.269 29.211 280 HD21 LEU 40 HD21 LEU 40 32.150 2.733 26.065 281 HD22 LEU 40 HD22 LEU 40 31.907 4.192 25.104 282 HD23 LEU 40 HD23 LEU 40 30.516 3.306 25.728 283 H LEU 41 HN LEU 41 33.554 6.946 28.877 284 HA LEU 41 HA LEU 41 32.437 5.989 31.388 285 HB2 LEU 41 HB2 LEU 41 35.011 5.985 30.134 286 HB3 LEU 41 HB1 LEU 41 35.146 6.786 31.700 287 HG LEU 41 HG LEU 41 33.817 4.095 31.263 288 HD11 LEU 41 HD11 LEU 41 36.590 4.799 31.403 289 HD12 LEU 41 HD12 LEU 41 35.875 3.188 31.324 290 HD13 LEU 41 HD13 LEU 41 36.158 3.952 32.889 291 HD21 LEU 41 HD21 LEU 41 34.709 4.613 33.940 292 HD22 LEU 41 HD22 LEU 41 33.060 4.358 33.368 293 HD23 LEU 41 HD23 LEU 41 33.740 5.984 33.400 294 H GLY 42 HN GLY 42 33.406 8.984 29.929 295 HA2 GLY 42 HA2 GLY 42 33.342 10.385 32.513 296 HA3 GLY 42 HA1 GLY 42 33.904 11.059 30.985 297 H THR 43 HN THR 43 31.491 9.889 29.615 298 HA THR 43 HA THR 43 29.352 11.572 30.726 299 HB THR 43 HB THR 43 30.529 12.951 29.052 300 HG1 THR 43 HG1 THR 43 28.055 12.594 29.251 301 HG21 THR 43 HG21 THR 43 29.694 11.468 26.710 302 HG22 THR 43 HG22 THR 43 30.776 10.496 27.708 303 HG23 THR 43 HG23 THR 43 31.295 12.079 27.126 304 H THR 44 HN THR 44 28.053 11.142 27.986 305 HA THR 44 HA THR 44 26.501 9.700 27.101 306 HB THR 44 HB THR 44 28.453 7.582 28.035 307 HG1 THR 44 HG1 THR 44 29.007 7.840 25.691 308 HG21 THR 44 HG21 THR 44 26.219 7.614 25.995 309 HG22 THR 44 HG22 THR 44 26.361 6.578 27.415 310 HG23 THR 44 HG23 THR 44 27.459 6.361 26.051 311 H GLY 45 HN GLY 45 27.639 7.520 29.651 312 HA2 GLY 45 HA2 GLY 45 24.894 7.461 30.728 313 HA3 GLY 45 HA1 GLY 45 26.095 6.188 30.923 314 H ASN 46 HN ASN 46 27.243 9.396 31.285 315 HA ASN 46 HA ASN 46 27.037 9.231 34.228 316 HB2 ASN 46 HB2 ASN 46 29.511 10.466 33.364 317 HB3 ASN 46 HB1 ASN 46 29.261 9.138 34.496 318 HD21 ASN 46 HD21 ASN 46 28.255 7.098 32.960 319 HD22 ASN 46 HD22 ASN 46 29.323 6.704 31.701 320 H GLY 47 HN GLY 47 25.656 10.882 34.601 321 HA2 GLY 47 HA2 GLY 47 26.133 13.416 34.972 322 HA3 GLY 47 HA1 GLY 47 26.071 13.441 33.212 323 H LEU 48 HN LEU 48 24.006 11.186 33.431 324 HA LEU 48 HA LEU 48 21.701 12.728 34.413 325 HB2 LEU 48 HB2 LEU 48 22.135 13.008 31.873 326 HB3 LEU 48 HB1 LEU 48 21.573 11.341 31.747 327 HG LEU 48 HG LEU 48 19.600 12.267 33.280 328 HD11 LEU 48 HD11 LEU 48 20.884 14.561 33.185 329 HD12 LEU 48 HD12 LEU 48 19.126 14.542 33.047 330 HD13 LEU 48 HD13 LEU 48 20.124 14.704 31.601 331 HD21 LEU 48 HD21 LEU 48 19.888 12.668 30.287 332 HD22 LEU 48 HD22 LEU 48 18.353 12.774 31.148 333 HD23 LEU 48 HD23 LEU 48 19.238 11.249 31.108 334 H VAL 49 HN VAL 49 23.316 9.759 33.865 335 HA VAL 49 HA VAL 49 21.110 7.977 34.113 336 HB VAL 49 HB VAL 49 24.085 7.686 34.485 337 HG11 VAL 49 HG11 VAL 49 23.456 5.165 34.579 338 HG12 VAL 49 HG12 VAL 49 21.875 5.735 35.110 339 HG13 VAL 49 HG13 VAL 49 23.312 6.113 36.060 340 HG21 VAL 49 HG21 VAL 49 23.102 7.858 32.194 341 HG22 VAL 49 HG22 VAL 49 22.108 6.445 32.546 342 HG23 VAL 49 HG23 VAL 49 23.864 6.295 32.488 343 H LEU 50 HN LEU 50 22.905 9.869 36.372 344 HA LEU 50 HA LEU 50 21.931 8.292 38.650 345 HB2 LEU 50 HB2 LEU 50 23.311 10.168 39.884 346 HB3 LEU 50 HB1 LEU 50 24.138 8.825 39.097 347 HG LEU 50 HG LEU 50 24.532 10.187 37.104 348 HD11 LEU 50 HD11 LEU 50 22.856 12.193 38.622 349 HD12 LEU 50 HD12 LEU 50 22.616 11.587 36.983 350 HD13 LEU 50 HD13 LEU 50 23.949 12.688 37.330 351 HD21 LEU 50 HD21 LEU 50 26.146 11.704 38.032 352 HD22 LEU 50 HD22 LEU 50 26.066 10.328 39.132 353 HD23 LEU 50 HD23 LEU 50 25.247 11.836 39.543 354 H TRP 51 HN TRP 51 20.665 10.544 36.716 355 HA TRP 51 HA TRP 51 19.553 12.287 38.783 356 HB2 TRP 51 HB2 TRP 51 19.671 13.716 37.050 357 HB3 TRP 51 HB1 TRP 51 19.904 12.405 35.894 358 HD1 TRP 51 HD1 TRP 51 17.675 11.187 34.961 359 HE1 TRP 51 HE1 TRP 51 15.281 12.094 34.649 360 HE3 TRP 51 HE3 TRP 51 17.897 15.317 37.957 361 HZ2 TRP 51 HZ2 TRP 51 13.674 14.281 35.550 362 HZ3 TRP 51 HZ3 TRP 51 15.923 16.794 38.212 363 HH2 TRP 51 HH2 TRP 51 13.814 16.282 37.013 364 H THR 52 HN THR 52 18.739 9.463 36.976 365 HA THR 52 HA THR 52 15.884 9.711 37.599 366 HB THR 52 HB THR 52 17.506 7.882 35.851 367 HG1 THR 52 HG1 THR 52 15.608 9.870 35.617 368 HG21 THR 52 HG21 THR 52 15.192 6.765 35.453 369 HG22 THR 52 HG22 THR 52 14.784 7.407 37.045 370 HG23 THR 52 HG23 THR 52 16.126 6.276 36.866 371 H VAL 53 HN VAL 53 18.758 8.007 38.581 372 HA VAL 53 HA VAL 53 17.377 5.970 40.084 373 HB VAL 53 HB VAL 53 20.266 6.866 40.227 374 HG11 VAL 53 HG11 VAL 53 19.779 5.590 42.175 375 HG12 VAL 53 HG12 VAL 53 20.493 4.440 41.045 376 HG13 VAL 53 HG13 VAL 53 18.746 4.475 41.280 377 HG21 VAL 53 HG21 VAL 53 19.749 4.336 38.911 378 HG22 VAL 53 HG22 VAL 53 20.610 5.748 38.298 379 HG23 VAL 53 HG23 VAL 53 18.859 5.634 38.117 380 H PHE 54 HN PHE 54 18.273 9.237 40.611 381 HA PHE 54 HA PHE 54 18.051 8.949 43.532 382 HB2 PHE 54 HB2 PHE 54 19.899 10.277 43.206 383 HB3 PHE 54 HB1 PHE 54 19.275 10.964 41.706 384 HD1 PHE 54 HD2 PHE 54 18.676 10.922 45.400 385 HD2 PHE 54 HD1 PHE 54 18.239 13.073 41.708 386 HE1 PHE 54 HE2 PHE 54 17.839 12.894 46.649 387 HE2 PHE 54 HE1 PHE 54 17.401 15.046 42.956 388 HZ PHE 54 HZ PHE 54 17.201 14.956 45.427 389 H ARG 55 HN ARG 55 16.233 9.796 40.802 390 HA ARG 55 HA ARG 55 14.501 11.694 42.163 391 HB2 ARG 55 HB2 ARG 55 14.987 10.866 39.434 392 HB3 ARG 55 HB1 ARG 55 13.261 10.842 39.795 393 HG2 ARG 55 HG2 ARG 55 13.943 13.067 38.993 394 HG3 ARG 55 HG1 ARG 55 13.417 13.148 40.675 395 HD2 ARG 55 HD2 ARG 55 16.236 12.535 40.549 396 HD3 ARG 55 HD1 ARG 55 15.896 13.992 39.621 397 HE ARG 55 HE ARG 55 15.703 13.691 42.490 398 HH11 ARG 55 HH21 ARG 55 14.626 15.391 39.675 399 HH12 ARG 55 HH22 ARG 55 14.190 16.826 40.539 400 HH21 ARG 55 HH11 ARG 55 15.133 15.571 43.631 401 HH22 ARG 55 HH12 ARG 55 14.476 16.929 42.779 402 H LYS 56 HN LYS 56 14.365 8.338 41.021 403 HA LYS 56 HA LYS 56 11.656 7.935 41.897 404 HB2 LYS 56 HB2 LYS 56 12.110 5.553 41.396 405 HB3 LYS 56 HB1 LYS 56 12.568 6.609 40.060 406 HG2 LYS 56 HG2 LYS 56 14.923 6.616 41.133 407 HG3 LYS 56 HG1 LYS 56 14.359 5.217 42.046 408 HD2 LYS 56 HD2 LYS 56 13.564 4.449 39.600 409 HD3 LYS 56 HD1 LYS 56 14.920 5.475 39.132 410 HE2 LYS 56 HE2 LYS 56 16.197 4.171 41.024 411 HE3 LYS 56 HE1 LYS 56 14.929 2.968 40.785 412 HZ1 LYS 56 HZ1 LYS 56 16.570 2.340 39.296 413 HZ2 LYS 56 HZ2 LYS 56 16.942 3.938 38.859 414 HZ3 LYS 56 HZ3 LYS 56 15.499 3.221 38.319 415 H LYS 57 HN LYS 57 14.871 7.243 43.202 416 HA LYS 57 HA LYS 57 13.748 5.961 45.564 417 HB2 LYS 57 HB2 LYS 57 16.524 6.462 44.530 418 HB3 LYS 57 HB1 LYS 57 16.278 6.019 46.220 419 HG2 LYS 57 HG2 LYS 57 15.562 3.897 45.711 420 HG3 LYS 57 HG1 LYS 57 14.838 4.392 44.183 421 HD2 LYS 57 HD2 LYS 57 16.818 2.993 43.777 422 HD3 LYS 57 HD1 LYS 57 17.102 4.636 43.201 423 HE2 LYS 57 HE2 LYS 57 19.032 3.717 44.498 424 HE3 LYS 57 HE1 LYS 57 18.353 5.174 45.223 425 HZ1 LYS 57 HZ1 LYS 57 18.750 3.433 46.866 426 HZ2 LYS 57 HZ2 LYS 57 17.696 2.393 46.033 427 HZ3 LYS 57 HZ3 LYS 57 17.101 3.812 46.753 428 H GLY 58 HN GLY 58 12.867 8.599 45.217 429 HA2 GLY 58 HA2 GLY 58 14.439 10.303 46.986 430 HA3 GLY 58 HA1 GLY 58 12.958 10.751 46.143 431 H HIS 59 HN HIS 59 13.365 7.868 48.125 432 HA HIS 59 HA HIS 59 11.213 8.841 49.879 433 HB2 HIS 59 HB2 HIS 59 11.959 6.260 48.793 434 HB3 HIS 59 HB1 HIS 59 11.816 6.190 50.549 435 HD2 HIS 59 HD2 HIS 59 9.527 7.198 47.467 436 HE1 HIS 59 HE1 HIS 59 7.066 6.465 50.817 437 HE2 HIS 59 HE2 HIS 59 7.073 6.998 48.335 438 H HIS 60 HN HIS 60 14.549 7.736 49.895 439 HA HIS 60 HA HIS 60 15.011 7.316 52.586 440 HB2 HIS 60 HB2 HIS 60 16.638 7.133 50.596 441 HB3 HIS 60 HB1 HIS 60 16.959 8.845 50.872 442 HD2 HIS 60 HD2 HIS 60 19.013 9.182 52.672 443 HE1 HIS 60 HE1 HIS 60 18.551 5.576 54.818 444 HE2 HIS 60 HE2 HIS 60 19.938 7.692 54.607 445 H HIS 61 HN HIS 61 13.708 8.723 53.821 446 HA HIS 61 HA HIS 61 14.944 11.337 54.285 447 HB2 HIS 61 HB2 HIS 61 12.102 10.896 53.414 448 HB3 HIS 61 HB1 HIS 61 12.518 12.265 54.446 449 HD2 HIS 61 HD2 HIS 61 13.003 11.109 50.744 450 HE1 HIS 61 HE1 HIS 61 14.834 14.891 51.158 451 HE2 HIS 61 HE2 HIS 61 14.134 13.104 49.495 452 H HIS 62 HN HIS 62 15.304 11.515 56.393 453 HA HIS 62 HA HIS 62 14.602 9.730 58.356 454 HB2 HIS 62 HB2 HIS 62 15.500 12.547 58.325 455 HB3 HIS 62 HB1 HIS 62 14.721 12.013 59.814 456 HD2 HIS 62 HD2 HIS 62 17.697 10.652 57.528 457 HE1 HIS 62 HE1 HIS 62 18.405 9.562 61.545 458 HE2 HIS 62 HE2 HIS 62 19.346 9.492 59.187 459 H HIS 63 HN HIS 63 12.814 9.247 59.475 460 HA HIS 63 HA HIS 63 10.281 10.195 58.765 461 HB2 HIS 63 HB2 HIS 63 9.598 9.168 61.020 462 HB3 HIS 63 HB1 HIS 63 10.362 8.097 59.846 463 HD2 HIS 63 HD2 HIS 63 13.248 7.698 60.396 464 HE1 HIS 63 HE1 HIS 63 12.831 8.684 64.479 465 HE2 HIS 63 HE2 HIS 63 14.375 7.649 62.750 466 H HIS 64 HN HIS 64 9.149 11.956 59.295 467 HA HIS 64 HA HIS 64 10.254 14.131 60.665 468 HB2 HIS 64 HB2 HIS 64 8.478 14.632 59.208 469 HB3 HIS 64 HB1 HIS 64 7.433 13.399 59.913 470 HD2 HIS 64 HD2 HIS 64 8.934 16.909 61.050 471 HE1 HIS 64 HE1 HIS 64 5.404 16.138 63.234 472 HE2 HIS 64 HE2 HIS 64 7.234 17.843 62.797 Start of MODEL 27 1 H1 MET 1 HT1 MET 1 54.784 42.968 19.315 2 H2 MET 1 HT2 MET 1 55.399 44.024 18.134 3 H3 MET 1 HT3 MET 1 54.636 42.578 17.671 4 HA MET 1 HA MET 1 52.983 44.256 19.318 5 HB2 MET 1 HB2 MET 1 52.522 45.807 17.349 6 HB3 MET 1 HB1 MET 1 54.048 46.081 18.189 7 HG2 MET 1 HG2 MET 1 55.265 45.534 16.365 8 HG3 MET 1 HG1 MET 1 54.293 44.095 16.056 9 HE1 MET 1 HE1 MET 1 53.534 45.219 12.653 10 HE2 MET 1 HE2 MET 1 53.189 43.911 13.781 11 HE3 MET 1 HE3 MET 1 54.828 44.540 13.649 12 H GLU 2 HN GLU 2 50.795 44.227 18.399 13 HA GLU 2 HA GLU 2 50.294 42.398 16.190 14 HB2 GLU 2 HB2 GLU 2 48.760 40.991 17.596 15 HB3 GLU 2 HB1 GLU 2 50.470 40.803 17.991 16 HG2 GLU 2 HG2 GLU 2 50.115 41.509 20.096 17 HG3 GLU 2 HG1 GLU 2 49.349 42.984 19.512 18 H GLU 3 HN GLU 3 49.443 44.393 15.332 19 HA GLU 3 HA GLU 3 47.060 45.486 16.628 20 HB2 GLU 3 HB2 GLU 3 49.030 46.739 15.300 21 HB3 GLU 3 HB1 GLU 3 47.929 46.449 13.954 22 HG2 GLU 3 HG2 GLU 3 47.249 47.842 16.559 23 HG3 GLU 3 HG1 GLU 3 47.412 48.606 14.980 24 H GLY 4 HN GLY 4 46.781 42.828 15.785 25 HA2 GLY 4 HA2 GLY 4 44.749 41.883 14.912 26 HA3 GLY 4 HA1 GLY 4 44.724 43.155 13.695 27 H GLY 5 HN GLY 5 47.418 41.068 14.691 28 HA2 GLY 5 HA2 GLY 5 48.527 40.611 12.226 29 HA3 GLY 5 HA1 GLY 5 48.594 39.444 13.543 30 H ASP 6 HN ASP 6 46.215 38.405 13.833 31 HA ASP 6 HA ASP 6 44.930 36.695 12.959 32 HB2 ASP 6 HB2 ASP 6 43.779 38.913 12.322 33 HB3 ASP 6 HB1 ASP 6 44.387 38.606 10.696 34 H PHE 7 HN PHE 7 47.320 35.886 12.427 35 HA PHE 7 HA PHE 7 48.776 34.877 10.935 36 HB2 PHE 7 HB2 PHE 7 46.295 33.651 10.940 37 HB3 PHE 7 HB1 PHE 7 46.636 33.862 9.222 38 HD1 PHE 7 HD2 PHE 7 48.159 32.635 12.412 39 HD2 PHE 7 HD1 PHE 7 48.149 32.432 8.121 40 HE1 PHE 7 HE2 PHE 7 49.763 30.745 12.497 41 HE2 PHE 7 HE1 PHE 7 49.753 30.543 8.207 42 HZ PHE 7 HZ PHE 7 50.560 29.699 10.394 43 H ASP 8 HN ASP 8 48.433 34.223 8.225 44 HA ASP 8 HA ASP 8 48.605 36.905 6.999 45 HB2 ASP 8 HB2 ASP 8 49.773 34.317 5.960 46 HB3 ASP 8 HB1 ASP 8 50.101 35.948 5.376 47 H ASN 9 HN ASN 9 46.101 35.601 7.417 48 HA ASN 9 HA ASN 9 44.186 34.963 6.310 49 HB2 ASN 9 HB2 ASN 9 44.960 37.269 5.283 50 HB3 ASN 9 HB1 ASN 9 45.223 36.290 3.841 51 HD21 ASN 9 HD21 ASN 9 43.419 36.609 2.519 52 HD22 ASN 9 HD22 ASN 9 41.809 36.541 3.052 53 H TYR 10 HN TYR 10 46.186 33.003 6.283 54 HA TYR 10 HA TYR 10 45.319 31.423 4.053 55 HB2 TYR 10 HB2 TYR 10 47.970 32.740 4.022 56 HB3 TYR 10 HB1 TYR 10 47.951 31.031 3.589 57 HD1 TYR 10 HD1 TYR 10 46.341 30.244 1.777 58 HD2 TYR 10 HD2 TYR 10 47.183 34.392 2.513 59 HE1 TYR 10 HE1 TYR 10 45.460 30.820 -0.467 60 HE2 TYR 10 HE2 TYR 10 46.302 34.968 0.267 61 HH TYR 10 HH TYR 10 44.552 33.797 -1.375 62 H TYR 11 HN TYR 11 45.828 31.621 7.130 63 HA TYR 11 HA TYR 11 47.589 29.576 7.893 64 HB2 TYR 11 HB2 TYR 11 46.835 29.998 9.985 65 HB3 TYR 11 HB1 TYR 11 45.979 31.340 9.224 66 HD1 TYR 11 HD1 TYR 11 43.589 31.136 8.623 67 HD2 TYR 11 HD2 TYR 11 45.667 28.001 10.697 68 HE1 TYR 11 HE1 TYR 11 41.419 30.099 9.230 69 HE2 TYR 11 HE2 TYR 11 43.498 26.964 11.305 70 HH TYR 11 HH TYR 11 41.291 27.023 11.020 71 H GLY 12 HN GLY 12 47.134 27.414 8.612 72 HA2 GLY 12 HA2 GLY 12 44.699 26.191 7.486 73 HA3 GLY 12 HA1 GLY 12 46.276 25.535 7.055 74 H ALA 13 HN ALA 13 46.524 23.663 8.107 75 HA ALA 13 HA ALA 13 46.764 23.566 10.933 76 HB1 ALA 13 HB1 ALA 13 44.873 22.047 11.414 77 HB2 ALA 13 HB2 ALA 13 44.288 22.271 9.765 78 HB3 ALA 13 HB3 ALA 13 44.318 23.635 10.882 79 H ASP 14 HN ASP 14 48.574 22.845 9.139 80 HA ASP 14 HA ASP 14 48.485 20.216 8.139 81 HB2 ASP 14 HB2 ASP 14 50.969 21.663 9.066 82 HB3 ASP 14 HB1 ASP 14 50.850 20.415 7.827 83 H ASN 15 HN ASN 15 47.426 19.172 10.014 84 HA ASN 15 HA ASN 15 49.432 17.879 11.680 85 HB2 ASN 15 HB2 ASN 15 47.204 19.567 12.822 86 HB3 ASN 15 HB1 ASN 15 48.023 18.313 13.751 87 HD21 ASN 15 HD21 ASN 15 50.373 18.613 14.160 88 HD22 ASN 15 HD22 ASN 15 51.054 20.166 14.078 89 H GLN 16 HN GLN 16 47.696 17.037 9.535 90 HA GLN 16 HA GLN 16 45.699 15.367 10.903 91 HB2 GLN 16 HB2 GLN 16 44.832 14.912 8.652 92 HB3 GLN 16 HB1 GLN 16 44.941 16.648 8.939 93 HG2 GLN 16 HG2 GLN 16 47.435 16.071 7.922 94 HG3 GLN 16 HG1 GLN 16 46.396 14.976 7.009 95 HE21 GLN 16 HE21 GLN 16 47.284 18.328 7.462 96 HE22 GLN 16 HE22 GLN 16 46.250 18.963 6.275 97 H SER 17 HN SER 17 47.827 14.302 11.751 98 HA SER 17 HA SER 17 49.437 12.694 10.133 99 HB2 SER 17 HB2 SER 17 49.215 13.175 12.844 100 HB3 SER 17 HB1 SER 17 48.779 11.474 12.709 101 HG SER 17 HG SER 17 50.878 11.243 12.635 102 H GLU 18 HN GLU 18 49.156 10.798 9.115 103 HA GLU 18 HA GLU 18 46.509 9.528 9.307 104 HB2 GLU 18 HB2 GLU 18 47.247 10.193 7.063 105 HB3 GLU 18 HB1 GLU 18 48.698 9.206 7.240 106 HG2 GLU 18 HG2 GLU 18 47.583 7.307 6.744 107 HG3 GLU 18 HG1 GLU 18 46.266 7.708 7.843 108 H CYS 19 HN CYS 19 46.690 8.230 11.110 109 HA CYS 19 HA CYS 19 48.900 6.285 11.184 110 HB2 CYS 19 HB2 CYS 19 47.889 5.815 13.506 111 HB3 CYS 19 HB1 CYS 19 48.720 7.354 13.276 112 HG CYS 19 HG CYS 19 46.597 8.475 13.853 113 H GLU 20 HN GLU 20 47.246 5.680 9.180 114 HA GLU 20 HA GLU 20 46.303 3.092 9.832 115 HB2 GLU 20 HB2 GLU 20 43.874 3.485 9.392 116 HB3 GLU 20 HB1 GLU 20 44.440 4.224 10.889 117 HG2 GLU 20 HG2 GLU 20 43.913 6.286 10.159 118 HG3 GLU 20 HG1 GLU 20 44.793 6.037 8.653 119 H TYR 21 HN TYR 21 44.046 4.120 7.711 120 HA TYR 21 HA TYR 21 43.813 3.610 5.462 121 HB2 TYR 21 HB2 TYR 21 44.652 5.997 5.600 122 HB3 TYR 21 HB1 TYR 21 46.258 5.367 5.233 123 HD1 TYR 21 HD1 TYR 21 42.729 5.316 3.985 124 HD2 TYR 21 HD2 TYR 21 46.899 5.014 3.002 125 HE1 TYR 21 HE1 TYR 21 42.157 5.265 1.572 126 HE2 TYR 21 HE2 TYR 21 46.327 4.962 0.589 127 HH TYR 21 HH TYR 21 43.505 4.223 -0.613 128 H THR 22 HN THR 22 45.712 1.869 7.044 129 HA THR 22 HA THR 22 46.687 0.341 4.823 130 HB THR 22 HB THR 22 48.747 1.625 6.633 131 HG1 THR 22 HG1 THR 22 49.245 2.218 4.187 132 HG21 THR 22 HG21 THR 22 50.335 0.534 5.038 133 HG22 THR 22 HG22 THR 22 48.964 -0.287 4.292 134 HG23 THR 22 HG23 THR 22 49.387 -0.625 5.971 135 H ASP 23 HN ASP 23 46.652 0.972 8.282 136 HA ASP 23 HA ASP 23 46.897 -1.932 8.791 137 HB2 ASP 23 HB2 ASP 23 47.682 0.477 10.414 138 HB3 ASP 23 HB1 ASP 23 47.416 -1.089 11.179 139 H TRP 24 HN TRP 24 44.506 -0.177 8.100 140 HA TRP 24 HA TRP 24 42.792 0.361 10.139 141 HB2 TRP 24 HB2 TRP 24 41.039 -0.805 8.449 142 HB3 TRP 24 HB1 TRP 24 41.745 0.782 8.162 143 HD1 TRP 24 HD1 TRP 24 43.640 -2.537 7.737 144 HE1 TRP 24 HE1 TRP 24 44.350 -2.756 5.270 145 HE3 TRP 24 HE3 TRP 24 41.284 1.548 5.775 146 HZ2 TRP 24 HZ2 TRP 24 43.971 -1.381 2.791 147 HZ3 TRP 24 HZ3 TRP 24 41.477 2.069 3.359 148 HH2 TRP 24 HH2 TRP 24 42.815 0.611 1.866 149 H LYS 25 HN LYS 25 41.857 -2.585 8.515 150 HA LYS 25 HA LYS 25 41.178 -3.820 11.033 151 HB2 LYS 25 HB2 LYS 25 40.446 -5.718 9.554 152 HB3 LYS 25 HB1 LYS 25 39.688 -4.171 9.176 153 HG2 LYS 25 HG2 LYS 25 40.507 -4.254 7.084 154 HG3 LYS 25 HG1 LYS 25 42.150 -4.369 7.715 155 HD2 LYS 25 HD2 LYS 25 41.836 -6.820 8.012 156 HD3 LYS 25 HD1 LYS 25 40.235 -6.679 7.285 157 HE2 LYS 25 HE2 LYS 25 41.134 -6.765 5.226 158 HE3 LYS 25 HE1 LYS 25 42.140 -5.361 5.587 159 HZ1 LYS 25 HZ1 LYS 25 42.857 -8.063 6.547 160 HZ2 LYS 25 HZ2 LYS 25 43.854 -6.698 6.378 161 HZ3 LYS 25 HZ3 LYS 25 43.306 -7.529 5.000 162 H SER 26 HN SER 26 44.011 -3.565 9.307 163 HA SER 26 HA SER 26 45.033 -6.232 9.679 164 HB2 SER 26 HB2 SER 26 46.630 -5.498 8.287 165 HB3 SER 26 HB1 SER 26 45.810 -3.940 8.245 166 HG SER 26 HG SER 26 47.999 -4.796 9.772 167 H SER 27 HN SER 27 45.364 -3.124 11.351 168 HA SER 27 HA SER 27 45.938 -4.450 13.843 169 HB2 SER 27 HB2 SER 27 48.114 -3.005 12.346 170 HB3 SER 27 HB1 SER 27 48.135 -3.127 14.103 171 HG SER 27 HG SER 27 49.109 -4.868 12.574 172 H GLY 28 HN GLY 28 44.137 -2.417 12.521 173 HA2 GLY 28 HA2 GLY 28 44.693 -0.039 14.164 174 HA3 GLY 28 HA1 GLY 28 43.544 -0.128 12.832 175 H ALA 29 HN ALA 29 42.754 -2.856 14.100 176 HA ALA 29 HA ALA 29 40.508 -1.827 15.564 177 HB1 ALA 29 HB1 ALA 29 39.745 -3.753 14.680 178 HB2 ALA 29 HB2 ALA 29 40.554 -4.548 16.030 179 HB3 ALA 29 HB3 ALA 29 41.373 -4.400 14.474 180 H LEU 30 HN LEU 30 43.659 -2.247 16.432 181 HA LEU 30 HA LEU 30 43.036 -3.060 19.197 182 HB2 LEU 30 HB2 LEU 30 45.774 -2.700 17.972 183 HB3 LEU 30 HB1 LEU 30 45.354 -3.560 19.455 184 HG LEU 30 HG LEU 30 44.502 -4.350 16.652 185 HD11 LEU 30 HD11 LEU 30 46.648 -5.291 18.540 186 HD12 LEU 30 HD12 LEU 30 46.754 -4.980 16.806 187 HD13 LEU 30 HD13 LEU 30 45.924 -6.420 17.395 188 HD21 LEU 30 HD21 LEU 30 43.882 -6.488 18.054 189 HD22 LEU 30 HD22 LEU 30 42.769 -5.119 18.024 190 HD23 LEU 30 HD23 LEU 30 43.838 -5.358 19.407 191 H ILE 31 HN ILE 31 42.011 -0.891 19.413 192 HA ILE 31 HA ILE 31 43.397 0.818 21.033 193 HB ILE 31 HB ILE 31 44.152 1.281 18.271 194 HG12 ILE 31 HG12 ILE 31 45.606 1.203 20.343 195 HG13 ILE 31 HG11 ILE 31 45.886 2.596 19.304 196 HG21 ILE 31 HG21 ILE 31 43.889 3.754 18.278 197 HG22 ILE 31 HG22 ILE 31 42.850 3.635 19.692 198 HG23 ILE 31 HG23 ILE 31 42.345 2.920 18.161 199 HD11 ILE 31 HD11 ILE 31 45.234 4.046 20.912 200 HD12 ILE 31 HD12 ILE 31 45.379 2.688 22.026 201 HD13 ILE 31 HD13 ILE 31 43.814 3.086 21.321 202 HA PRO 32 HA PRO 32 39.371 2.926 19.306 203 HB2 PRO 32 HB2 PRO 32 38.070 0.691 17.886 204 HB3 PRO 32 HB1 PRO 32 38.303 2.370 17.368 205 HG2 PRO 32 HG2 PRO 32 39.653 0.334 16.266 206 HG3 PRO 32 HG1 PRO 32 40.361 1.948 16.462 207 HD2 PRO 32 HD2 PRO 32 40.811 -0.521 18.109 208 HD3 PRO 32 HD1 PRO 32 41.982 0.712 17.591 209 H ALA 33 HN ALA 33 40.000 0.039 20.836 210 HA ALA 33 HA ALA 33 37.302 -0.354 21.901 211 HB1 ALA 33 HB1 ALA 33 38.088 -2.472 21.766 212 HB2 ALA 33 HB2 ALA 33 38.922 -2.089 23.273 213 HB3 ALA 33 HB3 ALA 33 39.771 -1.943 21.734 214 H ILE 34 HN ILE 34 40.365 1.040 22.760 215 HA ILE 34 HA ILE 34 39.589 1.315 25.574 216 HB ILE 34 HB ILE 34 42.130 2.013 24.087 217 HG12 ILE 34 HG12 ILE 34 41.739 0.019 26.323 218 HG13 ILE 34 HG11 ILE 34 41.470 -0.431 24.638 219 HG21 ILE 34 HG21 ILE 34 42.877 2.210 26.623 220 HG22 ILE 34 HG22 ILE 34 41.176 2.604 26.866 221 HG23 ILE 34 HG23 ILE 34 42.165 3.590 25.790 222 HD11 ILE 34 HD11 ILE 34 43.887 -0.623 25.844 223 HD12 ILE 34 HD12 ILE 34 43.997 1.020 25.210 224 HD13 ILE 34 HD13 ILE 34 43.697 -0.329 24.114 225 H TYR 35 HN TYR 35 39.186 2.957 22.693 226 HA TYR 35 HA TYR 35 39.385 5.644 23.797 227 HB2 TYR 35 HB2 TYR 35 39.389 4.490 21.187 228 HB3 TYR 35 HB1 TYR 35 38.045 5.627 21.284 229 HD1 TYR 35 HD2 TYR 35 41.707 5.266 21.878 230 HD2 TYR 35 HD1 TYR 35 38.418 7.972 21.319 231 HE1 TYR 35 HE2 TYR 35 43.297 7.162 21.701 232 HE2 TYR 35 HE1 TYR 35 40.008 9.867 21.142 233 HH TYR 35 HH TYR 35 43.413 9.385 20.833 234 H MET 36 HN MET 36 36.816 3.588 22.413 235 HA MET 36 HA MET 36 34.719 5.375 23.211 236 HB2 MET 36 HB2 MET 36 34.617 2.482 22.326 237 HB3 MET 36 HB1 MET 36 33.219 3.543 22.503 238 HG2 MET 36 HG2 MET 36 35.090 4.968 20.934 239 HG3 MET 36 HG1 MET 36 35.052 3.329 20.285 240 HE1 MET 36 HE1 MET 36 31.880 6.562 20.195 241 HE2 MET 36 HE2 MET 36 33.630 6.694 20.038 242 HE3 MET 36 HE3 MET 36 32.922 6.266 21.593 243 H LEU 37 HN LEU 37 36.691 3.483 25.018 244 HA LEU 37 HA LEU 37 34.634 2.563 26.892 245 HB2 LEU 37 HB2 LEU 37 37.432 1.875 26.316 246 HB3 LEU 37 HB1 LEU 37 37.064 1.959 28.036 247 HG LEU 37 HG LEU 37 36.693 -0.316 27.020 248 HD11 LEU 37 HD11 LEU 37 33.967 0.165 27.739 249 HD12 LEU 37 HD12 LEU 37 34.987 1.187 28.751 250 HD13 LEU 37 HD13 LEU 37 35.242 -0.558 28.719 251 HD21 LEU 37 HD21 LEU 37 34.142 0.540 25.808 252 HD22 LEU 37 HD22 LEU 37 35.324 -0.635 25.231 253 HD23 LEU 37 HD23 LEU 37 35.579 1.087 24.944 254 H VAL 38 HN VAL 38 35.944 5.416 26.287 255 HA VAL 38 HA VAL 38 35.929 6.208 29.127 256 HB VAL 38 HB VAL 38 37.883 7.285 27.085 257 HG11 VAL 38 HG11 VAL 38 38.952 8.233 29.125 258 HG12 VAL 38 HG12 VAL 38 37.620 7.600 30.092 259 HG13 VAL 38 HG13 VAL 38 37.317 8.848 28.884 260 HG21 VAL 38 HG21 VAL 38 39.544 6.019 28.590 261 HG22 VAL 38 HG22 VAL 38 38.576 5.042 27.486 262 HG23 VAL 38 HG23 VAL 38 38.143 5.132 29.194 263 H PHE 39 HN PHE 39 35.183 6.846 25.810 264 HA PHE 39 HA PHE 39 34.474 9.601 26.099 265 HB2 PHE 39 HB2 PHE 39 34.679 7.750 23.985 266 HB3 PHE 39 HB1 PHE 39 32.997 8.282 24.003 267 HD1 PHE 39 HD1 PHE 39 36.514 9.540 24.049 268 HD2 PHE 39 HD2 PHE 39 32.395 10.424 23.207 269 HE1 PHE 39 HE1 PHE 39 37.184 11.701 23.034 270 HE2 PHE 39 HE2 PHE 39 33.066 12.584 22.191 271 HZ PHE 39 HZ PHE 39 35.461 13.223 22.105 272 H LEU 40 HN LEU 40 32.983 6.663 27.001 273 HA LEU 40 HA LEU 40 30.379 8.024 27.360 274 HB2 LEU 40 HB2 LEU 40 29.952 5.296 27.710 275 HB3 LEU 40 HB1 LEU 40 29.533 6.240 26.283 276 HG LEU 40 HG LEU 40 32.268 5.003 26.694 277 HD11 LEU 40 HD11 LEU 40 31.141 3.495 24.754 278 HD12 LEU 40 HD12 LEU 40 29.712 3.837 25.730 279 HD13 LEU 40 HD13 LEU 40 31.109 3.044 26.458 280 HD21 LEU 40 HD21 LEU 40 31.324 5.380 23.972 281 HD22 LEU 40 HD22 LEU 40 32.782 6.012 24.737 282 HD23 LEU 40 HD23 LEU 40 31.264 6.899 24.866 283 H LEU 41 HN LEU 41 32.852 6.008 28.846 284 HA LEU 41 HA LEU 41 31.447 5.892 31.386 285 HB2 LEU 41 HB2 LEU 41 34.082 4.859 30.363 286 HB3 LEU 41 HB1 LEU 41 33.728 4.851 32.089 287 HG LEU 41 HG LEU 41 33.125 2.709 30.886 288 HD11 LEU 41 HD11 LEU 41 31.702 4.101 32.865 289 HD12 LEU 41 HD12 LEU 41 31.558 2.388 32.477 290 HD13 LEU 41 HD13 LEU 41 30.471 3.556 31.729 291 HD21 LEU 41 HD21 LEU 41 31.309 2.670 29.344 292 HD22 LEU 41 HD22 LEU 41 32.331 4.009 28.824 293 HD23 LEU 41 HD23 LEU 41 30.849 4.329 29.726 294 H GLY 42 HN GLY 42 32.219 8.508 30.233 295 HA2 GLY 42 HA2 GLY 42 33.749 9.502 32.554 296 HA3 GLY 42 HA1 GLY 42 34.175 10.023 30.925 297 H THR 43 HN THR 43 31.431 10.105 29.975 298 HA THR 43 HA THR 43 30.756 12.756 30.904 299 HB THR 43 HB THR 43 30.392 12.495 28.609 300 HG1 THR 43 HG1 THR 43 27.850 11.907 28.813 301 HG21 THR 43 HG21 THR 43 29.399 9.777 29.400 302 HG22 THR 43 HG22 THR 43 30.595 10.215 28.180 303 HG23 THR 43 HG23 THR 43 28.878 10.476 27.866 304 H THR 44 HN THR 44 28.074 10.764 30.149 305 HA THR 44 HA THR 44 26.483 11.424 32.268 306 HB THR 44 HB THR 44 25.228 9.341 31.833 307 HG1 THR 44 HG1 THR 44 26.146 7.717 30.845 308 HG21 THR 44 HG21 THR 44 25.216 11.381 30.277 309 HG22 THR 44 HG22 THR 44 24.638 9.861 29.592 310 HG23 THR 44 HG23 THR 44 26.262 10.437 29.216 311 H GLY 45 HN GLY 45 27.491 8.056 32.239 312 HA2 GLY 45 HA2 GLY 45 29.127 8.036 34.520 313 HA3 GLY 45 HA1 GLY 45 27.462 7.805 35.048 314 H ASN 46 HN ASN 46 26.234 6.105 33.711 315 HA ASN 46 HA ASN 46 25.993 3.862 33.262 316 HB2 ASN 46 HB2 ASN 46 28.245 4.827 31.612 317 HB3 ASN 46 HB1 ASN 46 28.156 3.077 31.815 318 HD21 ASN 46 HD21 ASN 46 26.581 5.862 30.360 319 HD22 ASN 46 HD22 ASN 46 25.387 4.986 29.530 320 H GLY 47 HN GLY 47 26.128 2.718 35.117 321 HA2 GLY 47 HA2 GLY 47 27.205 0.899 36.237 322 HA3 GLY 47 HA1 GLY 47 28.763 1.603 35.815 323 H LEU 48 HN LEU 48 28.201 4.278 36.598 324 HA LEU 48 HA LEU 48 28.464 3.971 39.492 325 HB2 LEU 48 HB2 LEU 48 29.642 5.657 37.572 326 HB3 LEU 48 HB1 LEU 48 28.621 6.700 38.563 327 HG LEU 48 HG LEU 48 30.679 4.740 39.627 328 HD11 LEU 48 HD11 LEU 48 31.616 7.077 40.433 329 HD12 LEU 48 HD12 LEU 48 30.702 7.685 39.053 330 HD13 LEU 48 HD13 LEU 48 31.976 6.491 38.808 331 HD21 LEU 48 HD21 LEU 48 29.944 6.643 41.566 332 HD22 LEU 48 HD22 LEU 48 29.514 4.933 41.550 333 HD23 LEU 48 HD23 LEU 48 28.428 6.122 40.831 334 H VAL 49 HN VAL 49 26.497 5.797 37.156 335 HA VAL 49 HA VAL 49 24.888 7.258 38.835 336 HB VAL 49 HB VAL 49 24.174 5.811 36.279 337 HG11 VAL 49 HG11 VAL 49 22.053 6.169 37.166 338 HG12 VAL 49 HG12 VAL 49 22.332 7.706 36.349 339 HG13 VAL 49 HG13 VAL 49 22.567 7.579 38.093 340 HG21 VAL 49 HG21 VAL 49 24.286 8.749 36.394 341 HG22 VAL 49 HG22 VAL 49 25.002 7.644 35.221 342 HG23 VAL 49 HG23 VAL 49 25.828 7.970 36.744 343 H LEU 50 HN LEU 50 24.932 3.816 38.366 344 HA LEU 50 HA LEU 50 22.351 3.337 39.568 345 HB2 LEU 50 HB2 LEU 50 24.522 1.273 39.329 346 HB3 LEU 50 HB1 LEU 50 22.775 1.065 39.207 347 HG LEU 50 HG LEU 50 24.582 2.440 37.198 348 HD11 LEU 50 HD11 LEU 50 22.839 0.372 36.187 349 HD12 LEU 50 HD12 LEU 50 23.789 -0.255 37.533 350 HD13 LEU 50 HD13 LEU 50 24.601 0.454 36.138 351 HD21 LEU 50 HD21 LEU 50 21.584 2.317 37.497 352 HD22 LEU 50 HD22 LEU 50 22.319 2.476 35.902 353 HD23 LEU 50 HD23 LEU 50 22.600 3.711 37.129 354 H TRP 51 HN TRP 51 25.744 3.038 40.593 355 HA TRP 51 HA TRP 51 25.545 1.906 43.057 356 HB2 TRP 51 HB2 TRP 51 27.702 2.508 43.038 357 HB3 TRP 51 HB1 TRP 51 27.394 3.675 41.753 358 HD1 TRP 51 HD1 TRP 51 26.539 6.148 42.553 359 HE1 TRP 51 HE1 TRP 51 27.117 7.476 44.685 360 HE3 TRP 51 HE3 TRP 51 28.308 2.367 45.494 361 HZ2 TRP 51 HZ2 TRP 51 28.190 6.997 47.293 362 HZ3 TRP 51 HZ3 TRP 51 29.101 2.829 47.795 363 HH2 TRP 51 HH2 TRP 51 29.045 5.138 48.698 364 H THR 52 HN THR 52 24.645 5.206 42.184 365 HA THR 52 HA THR 52 24.149 6.136 44.820 366 HB THR 52 HB THR 52 23.182 7.031 42.105 367 HG1 THR 52 HG1 THR 52 25.259 7.583 42.446 368 HG21 THR 52 HG21 THR 52 22.452 8.002 44.857 369 HG22 THR 52 HG22 THR 52 21.409 7.759 43.455 370 HG23 THR 52 HG23 THR 52 22.516 9.131 43.503 371 H VAL 53 HN VAL 53 21.895 5.040 42.272 372 HA VAL 53 HA VAL 53 19.538 5.151 43.736 373 HB VAL 53 HB VAL 53 20.269 3.055 41.678 374 HG11 VAL 53 HG11 VAL 53 17.644 4.166 42.703 375 HG12 VAL 53 HG12 VAL 53 18.207 2.498 42.796 376 HG13 VAL 53 HG13 VAL 53 17.782 3.200 41.234 377 HG21 VAL 53 HG21 VAL 53 20.104 5.900 41.457 378 HG22 VAL 53 HG22 VAL 53 18.695 5.215 40.648 379 HG23 VAL 53 HG23 VAL 53 20.316 4.721 40.162 380 H PHE 54 HN PHE 54 22.223 3.059 44.124 381 HA PHE 54 HA PHE 54 20.656 1.107 45.665 382 HB2 PHE 54 HB2 PHE 54 22.849 0.842 43.952 383 HB3 PHE 54 HB1 PHE 54 23.513 0.612 45.570 384 HD1 PHE 54 HD2 PHE 54 22.227 -0.986 47.160 385 HD2 PHE 54 HD1 PHE 54 21.673 -0.901 42.901 386 HE1 PHE 54 HE2 PHE 54 21.242 -3.261 47.242 387 HE2 PHE 54 HE1 PHE 54 20.690 -3.176 42.983 388 HZ PHE 54 HZ PHE 54 20.474 -4.356 45.153 389 H ARG 55 HN ARG 55 21.341 3.928 46.494 390 HA ARG 55 HA ARG 55 22.563 3.224 49.090 391 HB2 ARG 55 HB2 ARG 55 23.191 5.571 47.304 392 HB3 ARG 55 HB1 ARG 55 23.535 5.594 49.033 393 HG2 ARG 55 HG2 ARG 55 24.432 3.142 47.674 394 HG3 ARG 55 HG1 ARG 55 25.242 4.608 47.116 395 HD2 ARG 55 HD2 ARG 55 26.433 3.589 49.031 396 HD3 ARG 55 HD1 ARG 55 25.823 5.193 49.426 397 HE ARG 55 HE ARG 55 24.031 3.026 50.135 398 HH11 ARG 55 HH21 ARG 55 26.680 5.047 51.068 399 HH12 ARG 55 HH22 ARG 55 26.410 4.852 52.767 400 HH21 ARG 55 HH11 ARG 55 23.669 2.767 52.363 401 HH22 ARG 55 HH12 ARG 55 24.705 3.561 53.501 402 H LYS 56 HN LYS 56 20.335 5.203 47.243 403 HA LYS 56 HA LYS 56 19.339 6.586 49.594 404 HB2 LYS 56 HB2 LYS 56 17.872 6.579 46.989 405 HB3 LYS 56 HB1 LYS 56 18.099 7.891 48.140 406 HG2 LYS 56 HG2 LYS 56 20.232 6.746 46.306 407 HG3 LYS 56 HG1 LYS 56 19.420 8.293 46.104 408 HD2 LYS 56 HD2 LYS 56 21.166 7.523 48.466 409 HD3 LYS 56 HD1 LYS 56 21.637 8.590 47.146 410 HE2 LYS 56 HE2 LYS 56 20.921 10.186 48.641 411 HE3 LYS 56 HE1 LYS 56 19.377 9.838 47.863 412 HZ1 LYS 56 HZ1 LYS 56 20.135 8.134 50.099 413 HZ2 LYS 56 HZ2 LYS 56 18.609 8.737 49.659 414 HZ3 LYS 56 HZ3 LYS 56 19.716 9.734 50.478 415 H LYS 57 HN LYS 57 18.530 3.799 47.656 416 HA LYS 57 HA LYS 57 15.933 3.491 48.968 417 HB2 LYS 57 HB2 LYS 57 17.337 2.036 46.734 418 HB3 LYS 57 HB1 LYS 57 15.878 1.391 47.487 419 HG2 LYS 57 HG2 LYS 57 14.533 3.066 46.652 420 HG3 LYS 57 HG1 LYS 57 15.837 4.253 46.643 421 HD2 LYS 57 HD2 LYS 57 15.219 3.623 44.343 422 HD3 LYS 57 HD1 LYS 57 16.866 3.108 44.710 423 HE2 LYS 57 HE2 LYS 57 15.508 1.343 43.553 424 HE3 LYS 57 HE1 LYS 57 16.118 0.834 45.128 425 HZ1 LYS 57 HZ1 LYS 57 13.718 0.340 44.687 426 HZ2 LYS 57 HZ2 LYS 57 13.426 2.012 44.742 427 HZ3 LYS 57 HZ3 LYS 57 14.023 1.205 46.113 428 H GLY 58 HN GLY 58 18.126 3.377 50.713 429 HA2 GLY 58 HA2 GLY 58 18.827 0.618 51.222 430 HA3 GLY 58 HA1 GLY 58 19.245 2.008 52.220 431 H HIS 59 HN HIS 59 16.530 2.978 52.476 432 HA HIS 59 HA HIS 59 15.156 0.812 53.906 433 HB2 HIS 59 HB2 HIS 59 16.275 3.310 55.125 434 HB3 HIS 59 HB1 HIS 59 14.784 2.624 55.769 435 HD2 HIS 59 HD2 HIS 59 18.606 1.790 55.649 436 HE1 HIS 59 HE1 HIS 59 16.693 -1.244 57.875 437 HE2 HIS 59 HE2 HIS 59 18.945 -0.304 57.172 438 H HIS 60 HN HIS 60 14.944 4.353 53.472 439 HA HIS 60 HA HIS 60 13.097 5.681 53.043 440 HB2 HIS 60 HB2 HIS 60 13.844 4.701 50.803 441 HB3 HIS 60 HB1 HIS 60 12.486 3.587 50.958 442 HD2 HIS 60 HD2 HIS 60 12.693 7.558 51.400 443 HE1 HIS 60 HE1 HIS 60 9.280 6.565 49.121 444 HE2 HIS 60 HE2 HIS 60 10.599 8.481 50.143 445 H HIS 61 HN HIS 61 12.605 3.880 55.152 446 HA HIS 61 HA HIS 61 9.893 2.859 54.666 447 HB2 HIS 61 HB2 HIS 61 11.779 2.517 57.008 448 HB3 HIS 61 HB1 HIS 61 10.162 1.821 56.915 449 HD2 HIS 61 HD2 HIS 61 13.449 0.381 56.453 450 HE1 HIS 61 HE1 HIS 61 11.363 -1.147 53.116 451 HE2 HIS 61 HE2 HIS 61 13.445 -1.404 54.547 452 H HIS 62 HN HIS 62 11.350 4.335 57.554 453 HA HIS 62 HA HIS 62 8.987 5.498 58.493 454 HB2 HIS 62 HB2 HIS 62 11.414 5.194 59.558 455 HB3 HIS 62 HB1 HIS 62 11.570 6.875 59.052 456 HD2 HIS 62 HD2 HIS 62 9.561 4.753 61.664 457 HE1 HIS 62 HE1 HIS 62 8.583 8.816 62.263 458 HE2 HIS 62 HE2 HIS 62 8.328 6.469 63.199 459 H HIS 63 HN HIS 63 8.730 7.938 58.807 460 HA HIS 63 HA HIS 63 9.754 9.668 56.762 461 HB2 HIS 63 HB2 HIS 63 8.224 8.804 55.247 462 HB3 HIS 63 HB1 HIS 63 7.029 8.456 56.497 463 HD2 HIS 63 HD2 HIS 63 5.029 10.351 56.559 464 HE1 HIS 63 HE1 HIS 63 7.157 13.543 54.796 465 HE2 HIS 63 HE2 HIS 63 4.905 12.823 55.726 466 H HIS 64 HN HIS 64 9.904 11.598 57.694 467 HA HIS 64 HA HIS 64 8.954 12.257 60.213 468 HB2 HIS 64 HB2 HIS 64 10.710 13.460 58.766 469 HB3 HIS 64 HB1 HIS 64 9.347 14.326 58.058 470 HD2 HIS 64 HD2 HIS 64 7.959 14.172 61.360 471 HE1 HIS 64 HE1 HIS 64 10.867 17.194 61.844 472 HE2 HIS 64 HE2 HIS 64 8.796 16.137 62.863 Start of MODEL 28 1 H1 MET 1 HT1 MET 1 28.606 37.342 -15.303 2 H2 MET 1 HT2 MET 1 29.455 36.806 -16.674 3 H3 MET 1 HT3 MET 1 30.241 36.914 -15.172 4 HA MET 1 HA MET 1 28.392 35.266 -14.414 5 HB2 MET 1 HB2 MET 1 28.699 34.510 -17.324 6 HB3 MET 1 HB1 MET 1 27.566 33.857 -16.140 7 HG2 MET 1 HG2 MET 1 26.136 35.317 -17.194 8 HG3 MET 1 HG1 MET 1 26.833 36.439 -16.025 9 HE1 MET 1 HE1 MET 1 26.446 38.654 -19.096 10 HE2 MET 1 HE2 MET 1 25.703 37.991 -17.643 11 HE3 MET 1 HE3 MET 1 25.528 37.143 -19.178 12 H GLU 2 HN GLU 2 31.177 35.576 -16.519 13 HA GLU 2 HA GLU 2 32.885 34.084 -14.865 14 HB2 GLU 2 HB2 GLU 2 33.192 32.157 -16.609 15 HB3 GLU 2 HB1 GLU 2 31.901 32.046 -15.412 16 HG2 GLU 2 HG2 GLU 2 30.236 32.501 -16.960 17 HG3 GLU 2 HG1 GLU 2 31.320 33.408 -18.013 18 H GLU 3 HN GLU 3 34.877 34.768 -15.330 19 HA GLU 3 HA GLU 3 35.559 35.409 -18.123 20 HB2 GLU 3 HB2 GLU 3 35.779 37.229 -15.733 21 HB3 GLU 3 HB1 GLU 3 36.820 37.433 -17.141 22 HG2 GLU 3 HG2 GLU 3 33.843 37.179 -17.490 23 HG3 GLU 3 HG1 GLU 3 34.554 38.732 -17.054 24 H GLY 4 HN GLY 4 36.351 33.083 -17.104 25 HA2 GLY 4 HA2 GLY 4 38.862 32.570 -17.500 26 HA3 GLY 4 HA1 GLY 4 39.051 33.455 -15.989 27 H GLY 5 HN GLY 5 37.237 32.627 -14.315 28 HA2 GLY 5 HA2 GLY 5 36.932 30.926 -12.770 29 HA3 GLY 5 HA1 GLY 5 36.248 30.099 -14.167 30 H ASP 6 HN ASP 6 39.213 30.632 -12.325 31 HA ASP 6 HA ASP 6 40.074 27.918 -12.905 32 HB2 ASP 6 HB2 ASP 6 40.967 29.260 -14.809 33 HB3 ASP 6 HB1 ASP 6 41.851 30.251 -13.651 34 H PHE 7 HN PHE 7 39.391 28.334 -10.519 35 HA PHE 7 HA PHE 7 41.874 28.813 -9.013 36 HB2 PHE 7 HB2 PHE 7 40.289 30.839 -8.985 37 HB3 PHE 7 HB1 PHE 7 39.226 29.833 -8.002 38 HD1 PHE 7 HD2 PHE 7 42.757 31.054 -8.211 39 HD2 PHE 7 HD1 PHE 7 39.584 29.638 -5.687 40 HE1 PHE 7 HE2 PHE 7 44.126 31.561 -6.207 41 HE2 PHE 7 HE1 PHE 7 40.952 30.144 -3.683 42 HZ PHE 7 HZ PHE 7 43.223 31.106 -3.942 43 H ASP 8 HN ASP 8 41.692 26.391 -9.217 44 HA ASP 8 HA ASP 8 40.337 25.363 -6.834 45 HB2 ASP 8 HB2 ASP 8 38.876 25.066 -8.942 46 HB3 ASP 8 HB1 ASP 8 40.071 23.864 -9.431 47 H ASN 9 HN ASN 9 43.007 25.826 -7.007 48 HA ASN 9 HA ASN 9 44.082 23.100 -6.941 49 HB2 ASN 9 HB2 ASN 9 44.517 24.375 -9.205 50 HB3 ASN 9 HB1 ASN 9 45.749 25.209 -8.257 51 HD21 ASN 9 HD21 ASN 9 45.172 22.415 -10.109 52 HD22 ASN 9 HD22 ASN 9 46.498 21.498 -9.578 53 H TYR 10 HN TYR 10 43.414 24.591 -4.748 54 HA TYR 10 HA TYR 10 45.937 24.802 -3.405 55 HB2 TYR 10 HB2 TYR 10 44.514 27.234 -4.317 56 HB3 TYR 10 HB1 TYR 10 45.090 27.251 -2.650 57 HD1 TYR 10 HD1 TYR 10 47.538 26.668 -2.201 58 HD2 TYR 10 HD2 TYR 10 46.015 27.521 -6.125 59 HE1 TYR 10 HE1 TYR 10 49.844 27.100 -3.001 60 HE2 TYR 10 HE2 TYR 10 48.322 27.954 -6.926 61 HH TYR 10 HH TYR 10 51.113 27.231 -4.964 62 H TYR 11 HN TYR 11 42.954 23.783 -3.425 63 HA TYR 11 HA TYR 11 41.683 24.679 -1.099 64 HB2 TYR 11 HB2 TYR 11 41.542 22.248 -2.798 65 HB3 TYR 11 HB1 TYR 11 40.869 22.117 -1.172 66 HD1 TYR 11 HD2 TYR 11 40.720 24.058 -4.340 67 HD2 TYR 11 HD1 TYR 11 38.834 23.216 -0.574 68 HE1 TYR 11 HE2 TYR 11 38.701 25.298 -5.074 69 HE2 TYR 11 HE1 TYR 11 36.816 24.456 -1.308 70 HH TYR 11 HH TYR 11 36.285 25.356 -4.534 71 H GLY 12 HN GLY 12 43.239 24.963 0.536 72 HA2 GLY 12 HA2 GLY 12 44.697 22.625 1.510 73 HA3 GLY 12 HA1 GLY 12 44.863 24.278 2.095 74 H ALA 13 HN ALA 13 44.208 24.487 4.131 75 HA ALA 13 HA ALA 13 43.158 24.008 6.134 76 HB1 ALA 13 HB1 ALA 13 41.473 25.437 5.316 77 HB2 ALA 13 HB2 ALA 13 40.597 23.996 5.832 78 HB3 ALA 13 HB3 ALA 13 40.931 24.259 4.120 79 H ASP 14 HN ASP 14 44.302 21.792 5.781 80 HA ASP 14 HA ASP 14 42.546 19.561 5.224 81 HB2 ASP 14 HB2 ASP 14 45.354 19.650 6.352 82 HB3 ASP 14 HB1 ASP 14 44.503 18.189 5.856 83 H ASN 15 HN ASN 15 41.484 21.157 7.255 84 HA ASN 15 HA ASN 15 42.008 19.674 9.742 85 HB2 ASN 15 HB2 ASN 15 40.464 22.224 9.215 86 HB3 ASN 15 HB1 ASN 15 40.627 21.462 10.797 87 HD21 ASN 15 HD21 ASN 15 43.197 20.841 11.148 88 HD22 ASN 15 HD22 ASN 15 44.235 22.156 10.874 89 H GLN 16 HN GLN 16 40.191 19.185 7.145 90 HA GLN 16 HA GLN 16 37.567 18.844 8.233 91 HB2 GLN 16 HB2 GLN 16 37.093 17.651 6.143 92 HB3 GLN 16 HB1 GLN 16 37.966 19.149 5.817 93 HG2 GLN 16 HG2 GLN 16 40.003 17.313 6.211 94 HG3 GLN 16 HG1 GLN 16 38.785 16.376 5.345 95 HE21 GLN 16 HE21 GLN 16 39.812 19.834 5.109 96 HE22 GLN 16 HE22 GLN 16 40.092 19.779 3.436 97 H SER 17 HN SER 17 38.673 17.713 10.196 98 HA SER 17 HA SER 17 39.656 15.118 10.107 99 HB2 SER 17 HB2 SER 17 39.492 16.622 12.134 100 HB3 SER 17 HB1 SER 17 37.795 16.167 12.245 101 HG SER 17 HG SER 17 38.415 14.369 13.119 102 H GLU 18 HN GLU 18 38.804 13.320 9.302 103 HA GLU 18 HA GLU 18 35.907 13.124 8.926 104 HB2 GLU 18 HB2 GLU 18 37.379 12.559 7.036 105 HB3 GLU 18 HB1 GLU 18 38.141 11.297 8.006 106 HG2 GLU 18 HG2 GLU 18 36.463 9.855 7.588 107 HG3 GLU 18 HG1 GLU 18 35.248 11.045 8.054 108 H CYS 19 HN CYS 19 34.640 12.014 10.265 109 HA CYS 19 HA CYS 19 35.834 10.463 12.422 110 HB2 CYS 19 HB2 CYS 19 33.438 10.284 13.189 111 HB3 CYS 19 HB1 CYS 19 34.049 11.933 13.060 112 HG CYS 19 HG CYS 19 32.513 10.828 10.602 113 H GLU 20 HN GLU 20 34.604 8.379 13.016 114 HA GLU 20 HA GLU 20 34.017 6.215 12.506 115 HB2 GLU 20 HB2 GLU 20 32.339 7.567 11.002 116 HB3 GLU 20 HB1 GLU 20 33.365 6.991 9.686 117 HG2 GLU 20 HG2 GLU 20 33.097 4.670 10.940 118 HG3 GLU 20 HG1 GLU 20 31.634 5.428 11.565 119 H TYR 21 HN TYR 21 36.561 7.812 11.363 120 HA TYR 21 HA TYR 21 37.513 5.707 9.546 121 HB2 TYR 21 HB2 TYR 21 38.771 7.299 8.564 122 HB3 TYR 21 HB1 TYR 21 37.790 8.452 9.471 123 HD1 TYR 21 HD2 TYR 21 38.561 9.123 11.816 124 HD2 TYR 21 HD1 TYR 21 41.078 7.046 9.024 125 HE1 TYR 21 HE2 TYR 21 40.564 9.816 13.105 126 HE2 TYR 21 HE1 TYR 21 43.080 7.738 10.312 127 HH TYR 21 HH TYR 21 43.841 8.868 12.056 128 H THR 22 HN THR 22 37.350 6.042 12.737 129 HA THR 22 HA THR 22 40.116 5.401 13.408 130 HB THR 22 HB THR 22 37.767 5.321 15.295 131 HG1 THR 22 HG1 THR 22 39.011 7.629 15.451 132 HG21 THR 22 HG21 THR 22 39.368 5.521 16.964 133 HG22 THR 22 HG22 THR 22 40.527 6.319 15.900 134 HG23 THR 22 HG23 THR 22 40.260 4.580 15.768 135 H ASP 23 HN ASP 23 37.003 3.812 13.070 136 HA ASP 23 HA ASP 23 37.797 1.336 14.269 137 HB2 ASP 23 HB2 ASP 23 35.671 0.614 13.793 138 HB3 ASP 23 HB1 ASP 23 35.402 2.353 13.695 139 H TRP 24 HN TRP 24 38.470 2.821 11.290 140 HA TRP 24 HA TRP 24 38.592 0.653 9.518 141 HB2 TRP 24 HB2 TRP 24 39.866 2.040 8.123 142 HB3 TRP 24 HB1 TRP 24 38.938 3.190 9.086 143 HD1 TRP 24 HD1 TRP 24 40.611 3.058 11.758 144 HE1 TRP 24 HE1 TRP 24 42.966 4.102 11.844 145 HE3 TRP 24 HE3 TRP 24 41.729 3.121 6.775 146 HZ2 TRP 24 HZ2 TRP 24 45.050 4.863 10.037 147 HZ3 TRP 24 HZ3 TRP 24 43.903 4.010 5.987 148 HH2 TRP 24 HH2 TRP 24 45.564 4.881 7.610 149 H LYS 25 HN LYS 25 41.384 0.848 8.719 150 HA LYS 25 HA LYS 25 42.442 -1.379 10.043 151 HB2 LYS 25 HB2 LYS 25 43.952 0.780 8.550 152 HB3 LYS 25 HB1 LYS 25 44.542 -0.844 8.905 153 HG2 LYS 25 HG2 LYS 25 42.709 -1.815 7.581 154 HG3 LYS 25 HG1 LYS 25 42.090 -0.199 7.239 155 HD2 LYS 25 HD2 LYS 25 44.954 -0.769 6.595 156 HD3 LYS 25 HD1 LYS 25 43.716 -1.436 5.531 157 HE2 LYS 25 HE2 LYS 25 42.753 0.803 5.218 158 HE3 LYS 25 HE1 LYS 25 43.957 1.485 6.312 159 HZ1 LYS 25 HZ1 LYS 25 45.588 0.305 4.670 160 HZ2 LYS 25 HZ2 LYS 25 44.955 1.840 4.309 161 HZ3 LYS 25 HZ3 LYS 25 44.289 0.452 3.589 162 H SER 26 HN SER 26 42.085 -0.796 12.299 163 HA SER 26 HA SER 26 44.056 1.112 13.383 164 HB2 SER 26 HB2 SER 26 41.482 1.124 13.937 165 HB3 SER 26 HB1 SER 26 41.921 -0.173 15.044 166 HG SER 26 HG SER 26 42.490 2.524 15.129 167 H SER 27 HN SER 27 44.794 -1.523 12.419 168 HA SER 27 HA SER 27 46.362 -3.082 13.110 169 HB2 SER 27 HB2 SER 27 46.678 -1.248 15.033 170 HB3 SER 27 HB1 SER 27 45.948 -2.524 16.004 171 HG SER 27 HG SER 27 48.419 -2.376 15.401 172 H GLY 28 HN GLY 28 43.433 -3.422 12.917 173 HA2 GLY 28 HA2 GLY 28 42.292 -5.507 12.979 174 HA3 GLY 28 HA1 GLY 28 43.273 -5.973 14.366 175 H ALA 29 HN ALA 29 41.624 -2.880 14.014 176 HA ALA 29 HA ALA 29 40.200 -1.818 15.502 177 HB1 ALA 29 HB1 ALA 29 38.811 -4.423 14.865 178 HB2 ALA 29 HB2 ALA 29 38.559 -2.847 14.114 179 HB3 ALA 29 HB3 ALA 29 38.036 -3.126 15.775 180 H LEU 30 HN LEU 30 41.988 -2.215 17.160 181 HA LEU 30 HA LEU 30 40.860 -3.765 19.413 182 HB2 LEU 30 HB2 LEU 30 43.647 -3.690 18.331 183 HB3 LEU 30 HB1 LEU 30 43.414 -3.888 20.067 184 HG LEU 30 HG LEU 30 41.796 -5.577 18.192 185 HD11 LEU 30 HD11 LEU 30 43.641 -7.281 18.278 186 HD12 LEU 30 HD12 LEU 30 44.695 -6.039 18.953 187 HD13 LEU 30 HD13 LEU 30 44.047 -5.855 17.323 188 HD21 LEU 30 HD21 LEU 30 41.776 -5.372 20.857 189 HD22 LEU 30 HD22 LEU 30 43.112 -6.515 20.709 190 HD23 LEU 30 HD23 LEU 30 41.525 -6.923 20.054 191 H ILE 31 HN ILE 31 42.637 -0.941 18.313 192 HA ILE 31 HA ILE 31 42.858 0.165 20.977 193 HB ILE 31 HB ILE 31 43.700 1.016 18.241 194 HG12 ILE 31 HG12 ILE 31 44.994 -0.321 20.128 195 HG13 ILE 31 HG11 ILE 31 45.828 0.887 19.150 196 HG21 ILE 31 HG21 ILE 31 44.445 3.207 19.387 197 HG22 ILE 31 HG22 ILE 31 43.215 2.844 20.597 198 HG23 ILE 31 HG23 ILE 31 42.753 3.077 18.910 199 HD11 ILE 31 HD11 ILE 31 45.765 2.499 20.874 200 HD12 ILE 31 HD12 ILE 31 46.130 0.997 21.722 201 HD13 ILE 31 HD13 ILE 31 44.492 1.647 21.748 202 HA PRO 32 HA PRO 32 39.406 3.013 18.925 203 HB2 PRO 32 HB2 PRO 32 37.771 0.811 17.779 204 HB3 PRO 32 HB1 PRO 32 38.112 2.423 17.123 205 HG2 PRO 32 HG2 PRO 32 39.241 0.235 16.108 206 HG3 PRO 32 HG1 PRO 32 40.112 1.775 16.206 207 HD2 PRO 32 HD2 PRO 32 40.394 -0.663 17.923 208 HD3 PRO 32 HD1 PRO 32 41.639 0.479 17.369 209 H ALA 33 HN ALA 33 38.871 -0.292 20.065 210 HA ALA 33 HA ALA 33 36.452 0.250 21.477 211 HB1 ALA 33 HB1 ALA 33 36.582 -2.004 21.258 212 HB2 ALA 33 HB2 ALA 33 37.500 -1.915 22.761 213 HB3 ALA 33 HB3 ALA 33 38.344 -1.997 21.214 214 H ILE 34 HN ILE 34 39.839 0.595 22.219 215 HA ILE 34 HA ILE 34 39.411 0.905 25.070 216 HB ILE 34 HB ILE 34 41.814 1.239 23.272 217 HG12 ILE 34 HG12 ILE 34 41.364 -0.628 25.612 218 HG13 ILE 34 HG11 ILE 34 40.896 -1.054 23.966 219 HG21 ILE 34 HG21 ILE 34 43.008 1.431 25.570 220 HG22 ILE 34 HG22 ILE 34 41.429 1.918 26.185 221 HG23 ILE 34 HG23 ILE 34 42.217 2.871 24.928 222 HD11 ILE 34 HD11 ILE 34 43.398 -1.470 25.069 223 HD12 ILE 34 HD12 ILE 34 43.621 0.017 24.146 224 HD13 ILE 34 HD13 ILE 34 43.038 -1.442 23.342 225 H TYR 35 HN TYR 35 39.031 2.843 22.345 226 HA TYR 35 HA TYR 35 39.780 5.362 23.554 227 HB2 TYR 35 HB2 TYR 35 39.068 4.419 20.935 228 HB3 TYR 35 HB1 TYR 35 38.061 5.805 21.354 229 HD1 TYR 35 HD1 TYR 35 39.129 7.960 22.054 230 HD2 TYR 35 HD2 TYR 35 41.419 4.659 20.535 231 HE1 TYR 35 HE1 TYR 35 41.045 9.479 21.641 232 HE2 TYR 35 HE2 TYR 35 43.335 6.177 20.121 233 HH TYR 35 HH TYR 35 43.647 8.669 19.708 234 H MET 36 HN MET 36 36.684 3.947 22.471 235 HA MET 36 HA MET 36 35.052 5.917 23.671 236 HB2 MET 36 HB2 MET 36 34.441 3.051 22.914 237 HB3 MET 36 HB1 MET 36 33.227 4.245 23.378 238 HG2 MET 36 HG2 MET 36 33.582 5.544 21.460 239 HG3 MET 36 HG1 MET 36 35.185 4.865 21.180 240 HE1 MET 36 HE1 MET 36 35.393 3.507 18.985 241 HE2 MET 36 HE2 MET 36 34.378 4.935 18.799 242 HE3 MET 36 HE3 MET 36 33.901 3.419 18.039 243 H LEU 37 HN LEU 37 36.505 2.973 24.882 244 HA LEU 37 HA LEU 37 34.951 2.606 27.197 245 HB2 LEU 37 HB2 LEU 37 37.403 1.561 26.102 246 HB3 LEU 37 HB1 LEU 37 37.603 1.880 27.825 247 HG LEU 37 HG LEU 37 35.269 0.345 26.649 248 HD11 LEU 37 HD11 LEU 37 38.005 -0.470 27.414 249 HD12 LEU 37 HD12 LEU 37 36.838 -1.283 26.371 250 HD13 LEU 37 HD13 LEU 37 36.720 -1.448 28.122 251 HD21 LEU 37 HD21 LEU 37 34.406 0.456 28.729 252 HD22 LEU 37 HD22 LEU 37 35.700 1.569 29.168 253 HD23 LEU 37 HD23 LEU 37 35.905 -0.164 29.419 254 H VAL 38 HN VAL 38 36.696 5.260 26.347 255 HA VAL 38 HA VAL 38 37.059 6.066 29.167 256 HB VAL 38 HB VAL 38 38.865 6.746 26.834 257 HG11 VAL 38 HG11 VAL 38 40.182 7.539 29.068 258 HG12 VAL 38 HG12 VAL 38 38.519 7.848 29.571 259 HG13 VAL 38 HG13 VAL 38 39.159 8.617 28.119 260 HG21 VAL 38 HG21 VAL 38 39.114 4.904 29.217 261 HG22 VAL 38 HG22 VAL 38 40.535 5.533 28.382 262 HG23 VAL 38 HG23 VAL 38 39.375 4.528 27.513 263 H PHE 39 HN PHE 39 35.130 6.476 26.689 264 HA PHE 39 HA PHE 39 34.835 9.386 27.124 265 HB2 PHE 39 HB2 PHE 39 35.745 8.820 24.848 266 HB3 PHE 39 HB1 PHE 39 34.246 7.948 24.531 267 HD1 PHE 39 HD2 PHE 39 35.475 11.287 25.716 268 HD2 PHE 39 HD1 PHE 39 32.415 9.104 23.636 269 HE1 PHE 39 HE2 PHE 39 34.365 13.419 25.108 270 HE2 PHE 39 HE1 PHE 39 31.306 11.235 23.029 271 HZ PHE 39 HZ PHE 39 32.281 13.395 23.765 272 H LEU 40 HN LEU 40 33.574 6.896 28.302 273 HA LEU 40 HA LEU 40 30.793 7.766 27.898 274 HB2 LEU 40 HB2 LEU 40 30.039 5.408 27.857 275 HB3 LEU 40 HB1 LEU 40 31.063 5.803 26.483 276 HG LEU 40 HG LEU 40 33.032 4.929 27.892 277 HD11 LEU 40 HD11 LEU 40 32.480 4.435 30.038 278 HD12 LEU 40 HD12 LEU 40 31.821 2.950 29.364 279 HD13 LEU 40 HD13 LEU 40 30.759 4.316 29.681 280 HD21 LEU 40 HD21 LEU 40 32.592 3.512 26.145 281 HD22 LEU 40 HD22 LEU 40 30.876 3.396 26.535 282 HD23 LEU 40 HD23 LEU 40 32.054 2.457 27.452 283 H LEU 41 HN LEU 41 33.334 6.852 29.934 284 HA LEU 41 HA LEU 41 31.648 6.083 32.176 285 HB2 LEU 41 HB2 LEU 41 33.601 5.468 33.264 286 HB3 LEU 41 HB1 LEU 41 34.081 5.272 31.586 287 HG LEU 41 HG LEU 41 34.831 7.781 31.762 288 HD11 LEU 41 HD11 LEU 41 35.706 7.380 34.489 289 HD12 LEU 41 HD12 LEU 41 33.947 7.366 34.430 290 HD13 LEU 41 HD13 LEU 41 34.839 8.748 33.801 291 HD21 LEU 41 HD21 LEU 41 36.338 5.880 31.389 292 HD22 LEU 41 HD22 LEU 41 36.336 5.524 33.116 293 HD23 LEU 41 HD23 LEU 41 37.060 7.019 32.525 294 H GLY 42 HN GLY 42 33.179 8.915 30.894 295 HA2 GLY 42 HA2 GLY 42 32.576 10.432 33.353 296 HA3 GLY 42 HA1 GLY 42 33.664 10.957 32.069 297 H THR 43 HN THR 43 31.286 9.691 30.348 298 HA THR 43 HA THR 43 29.506 12.040 30.476 299 HB THR 43 HB THR 43 29.638 12.439 28.161 300 HG1 THR 43 HG1 THR 43 29.686 10.651 27.055 301 HG21 THR 43 HG21 THR 43 31.752 12.910 29.642 302 HG22 THR 43 HG22 THR 43 31.858 13.100 27.891 303 HG23 THR 43 HG23 THR 43 32.488 11.643 28.661 304 H THR 44 HN THR 44 27.941 10.736 31.451 305 HA THR 44 HA THR 44 26.132 9.445 29.714 306 HB THR 44 HB THR 44 27.984 7.656 31.282 307 HG1 THR 44 HG1 THR 44 27.006 6.906 28.846 308 HG21 THR 44 HG21 THR 44 25.107 7.252 30.541 309 HG22 THR 44 HG22 THR 44 25.960 6.769 32.007 310 HG23 THR 44 HG23 THR 44 26.211 5.877 30.506 311 H GLY 45 HN GLY 45 27.213 8.654 33.012 312 HA2 GLY 45 HA2 GLY 45 24.734 9.853 34.071 313 HA3 GLY 45 HA1 GLY 45 25.175 8.205 34.513 314 H ASN 46 HN ASN 46 27.843 10.245 34.015 315 HA ASN 46 HA ASN 46 28.784 10.000 36.666 316 HB2 ASN 46 HB2 ASN 46 30.555 11.529 35.980 317 HB3 ASN 46 HB1 ASN 46 30.252 10.353 34.703 318 HD21 ASN 46 HD21 ASN 46 28.904 11.121 32.828 319 HD22 ASN 46 HD22 ASN 46 28.889 12.776 32.448 320 H GLY 47 HN GLY 47 26.664 10.766 37.638 321 HA2 GLY 47 HA2 GLY 47 27.020 13.516 38.516 322 HA3 GLY 47 HA1 GLY 47 25.517 13.191 37.659 323 H LEU 48 HN LEU 48 25.122 10.534 38.606 324 HA LEU 48 HA LEU 48 24.860 10.860 41.520 325 HB2 LEU 48 HB2 LEU 48 22.707 11.032 39.629 326 HB3 LEU 48 HB1 LEU 48 22.500 9.584 40.613 327 HG LEU 48 HG LEU 48 23.055 12.344 41.737 328 HD11 LEU 48 HD11 LEU 48 20.515 10.846 41.165 329 HD12 LEU 48 HD12 LEU 48 20.874 12.557 40.930 330 HD13 LEU 48 HD13 LEU 48 20.590 11.930 42.554 331 HD21 LEU 48 HD21 LEU 48 21.805 10.504 43.547 332 HD22 LEU 48 HD22 LEU 48 23.395 11.255 43.681 333 HD23 LEU 48 HD23 LEU 48 23.215 9.715 42.839 334 H VAL 49 HN VAL 49 25.415 8.927 38.762 335 HA VAL 49 HA VAL 49 24.857 6.359 39.860 336 HB VAL 49 HB VAL 49 26.728 7.199 37.633 337 HG11 VAL 49 HG11 VAL 49 25.920 4.530 38.749 338 HG12 VAL 49 HG12 VAL 49 27.499 5.066 38.174 339 HG13 VAL 49 HG13 VAL 49 26.223 4.687 37.017 340 HG21 VAL 49 HG21 VAL 49 23.948 5.983 37.557 341 HG22 VAL 49 HG22 VAL 49 24.901 6.518 36.173 342 HG23 VAL 49 HG23 VAL 49 24.287 7.699 37.330 343 H LEU 50 HN LEU 50 27.503 8.583 40.157 344 HA LEU 50 HA LEU 50 29.369 6.605 41.160 345 HB2 LEU 50 HB2 LEU 50 29.757 9.540 41.581 346 HB3 LEU 50 HB1 LEU 50 30.941 8.297 41.175 347 HG LEU 50 HG LEU 50 28.841 9.464 39.326 348 HD11 LEU 50 HD11 LEU 50 31.543 9.528 38.356 349 HD12 LEU 50 HD12 LEU 50 31.499 10.236 39.971 350 HD13 LEU 50 HD13 LEU 50 30.467 10.883 38.696 351 HD21 LEU 50 HD21 LEU 50 30.365 7.972 37.704 352 HD22 LEU 50 HD22 LEU 50 28.946 7.305 38.512 353 HD23 LEU 50 HD23 LEU 50 30.554 7.021 39.178 354 H TRP 51 HN TRP 51 27.137 8.993 42.450 355 HA TRP 51 HA TRP 51 27.947 9.229 45.071 356 HB2 TRP 51 HB2 TRP 51 26.070 10.470 44.907 357 HB3 TRP 51 HB1 TRP 51 25.411 9.455 43.624 358 HD1 TRP 51 HD1 TRP 51 24.110 7.209 44.386 359 HE1 TRP 51 HE1 TRP 51 22.816 6.680 46.553 360 HE3 TRP 51 HE3 TRP 51 25.932 10.886 47.426 361 HZ2 TRP 51 HZ2 TRP 51 22.585 7.682 49.221 362 HZ3 TRP 51 HZ3 TRP 51 25.159 11.076 49.773 363 HH2 TRP 51 HH2 TRP 51 23.489 9.479 50.674 364 H THR 52 HN THR 52 26.666 6.449 43.445 365 HA THR 52 HA THR 52 25.945 5.003 45.829 366 HB THR 52 HB THR 52 26.180 4.341 42.913 367 HG1 THR 52 HG1 THR 52 24.161 4.779 43.205 368 HG21 THR 52 HG21 THR 52 26.126 2.420 45.232 369 HG22 THR 52 HG22 THR 52 27.117 2.361 43.773 370 HG23 THR 52 HG23 THR 52 25.394 1.991 43.686 371 H VAL 53 HN VAL 53 28.684 4.987 43.572 372 HA VAL 53 HA VAL 53 30.109 2.986 45.109 373 HB VAL 53 HB VAL 53 31.470 4.638 43.034 374 HG11 VAL 53 HG11 VAL 53 31.308 1.658 43.591 375 HG12 VAL 53 HG12 VAL 53 32.579 2.731 44.175 376 HG13 VAL 53 HG13 VAL 53 32.398 2.439 42.445 377 HG21 VAL 53 HG21 VAL 53 30.369 3.084 41.311 378 HG22 VAL 53 HG22 VAL 53 29.364 4.390 41.940 379 HG23 VAL 53 HG23 VAL 53 29.157 2.748 42.548 380 H PHE 54 HN PHE 54 30.940 6.311 44.112 381 HA PHE 54 HA PHE 54 33.104 6.824 45.657 382 HB2 PHE 54 HB2 PHE 54 32.250 8.523 44.191 383 HB3 PHE 54 HB1 PHE 54 30.751 8.642 45.113 384 HD1 PHE 54 HD1 PHE 54 34.452 9.085 45.399 385 HD2 PHE 54 HD2 PHE 54 30.581 10.112 46.951 386 HE1 PHE 54 HE1 PHE 54 35.496 10.776 46.882 387 HE2 PHE 54 HE2 PHE 54 31.624 11.803 48.435 388 HZ PHE 54 HZ PHE 54 34.082 12.136 48.400 389 H ARG 55 HN ARG 55 29.770 6.621 46.768 390 HA ARG 55 HA ARG 55 30.321 7.592 49.414 391 HB2 ARG 55 HB2 ARG 55 28.082 7.788 48.495 392 HB3 ARG 55 HB1 ARG 55 27.975 6.039 48.299 393 HG2 ARG 55 HG2 ARG 55 28.707 6.862 51.018 394 HG3 ARG 55 HG1 ARG 55 27.120 7.440 50.513 395 HD2 ARG 55 HD2 ARG 55 26.331 5.247 50.087 396 HD3 ARG 55 HD1 ARG 55 27.959 4.572 50.092 397 HE ARG 55 HE ARG 55 27.910 4.548 52.423 398 HH11 ARG 55 HH21 ARG 55 25.211 6.253 51.092 399 HH12 ARG 55 HH22 ARG 55 24.344 6.331 52.588 400 HH21 ARG 55 HH11 ARG 55 26.778 4.643 54.391 401 HH22 ARG 55 HH12 ARG 55 25.232 5.420 54.457 402 H LYS 56 HN LYS 56 30.041 4.402 47.901 403 HA LYS 56 HA LYS 56 30.002 2.741 50.096 404 HB2 LYS 56 HB2 LYS 56 30.532 2.456 47.349 405 HB3 LYS 56 HB1 LYS 56 31.910 1.734 48.178 406 HG2 LYS 56 HG2 LYS 56 30.222 0.022 47.902 407 HG3 LYS 56 HG1 LYS 56 30.289 0.455 49.612 408 HD2 LYS 56 HD2 LYS 56 28.092 0.929 49.536 409 HD3 LYS 56 HD1 LYS 56 28.448 2.239 48.409 410 HE2 LYS 56 HE2 LYS 56 28.304 0.663 46.519 411 HE3 LYS 56 HE1 LYS 56 27.958 -0.654 47.640 412 HZ1 LYS 56 HZ1 LYS 56 25.842 -0.044 47.764 413 HZ2 LYS 56 HZ2 LYS 56 26.129 1.015 46.467 414 HZ3 LYS 56 HZ3 LYS 56 26.237 1.576 48.067 415 H LYS 57 HN LYS 57 33.043 3.499 48.386 416 HA LYS 57 HA LYS 57 34.675 2.737 50.581 417 HB2 LYS 57 HB2 LYS 57 36.375 4.247 49.196 418 HB3 LYS 57 HB1 LYS 57 35.887 2.653 48.628 419 HG2 LYS 57 HG2 LYS 57 34.182 4.989 47.858 420 HG3 LYS 57 HG1 LYS 57 35.735 4.804 47.048 421 HD2 LYS 57 HD2 LYS 57 34.012 2.374 47.289 422 HD3 LYS 57 HD1 LYS 57 33.531 3.609 46.128 423 HE2 LYS 57 HE2 LYS 57 35.165 1.710 45.362 424 HE3 LYS 57 HE1 LYS 57 35.477 3.371 44.858 425 HZ1 LYS 57 HZ1 LYS 57 37.495 2.928 45.710 426 HZ2 LYS 57 HZ2 LYS 57 36.930 1.693 46.731 427 HZ3 LYS 57 HZ3 LYS 57 36.753 3.320 47.184 428 H GLY 58 HN GLY 58 33.314 4.024 52.156 429 HA2 GLY 58 HA2 GLY 58 33.972 6.877 52.247 430 HA3 GLY 58 HA1 GLY 58 32.806 6.044 53.271 431 H HIS 59 HN HIS 59 36.081 4.917 52.658 432 HA HIS 59 HA HIS 59 36.647 5.183 55.536 433 HB2 HIS 59 HB2 HIS 59 38.012 3.521 53.406 434 HB3 HIS 59 HB1 HIS 59 38.440 3.538 55.116 435 HD2 HIS 59 HD2 HIS 59 35.685 2.044 52.781 436 HE1 HIS 59 HE1 HIS 59 34.832 0.807 56.726 437 HE2 HIS 59 HE2 HIS 59 34.205 0.505 54.284 438 H HIS 60 HN HIS 60 37.533 6.395 52.435 439 HA HIS 60 HA HIS 60 40.164 7.195 52.764 440 HB2 HIS 60 HB2 HIS 60 38.007 7.818 51.004 441 HB3 HIS 60 HB1 HIS 60 38.761 9.332 51.504 442 HD2 HIS 60 HD2 HIS 60 40.862 9.911 49.827 443 HE1 HIS 60 HE1 HIS 60 42.050 5.960 48.931 444 HE2 HIS 60 HE2 HIS 60 42.544 8.414 48.504 445 H HIS 61 HN HIS 61 41.066 9.293 53.314 446 HA HIS 61 HA HIS 61 40.287 10.191 55.871 447 HB2 HIS 61 HB2 HIS 61 42.081 11.434 53.778 448 HB3 HIS 61 HB1 HIS 61 41.892 12.077 55.409 449 HD2 HIS 61 HD2 HIS 61 42.609 8.341 54.173 450 HE1 HIS 61 HE1 HIS 61 45.266 9.326 57.302 451 HE2 HIS 61 HE2 HIS 61 44.553 7.492 55.697 452 H HIS 62 HN HIS 62 39.686 12.442 56.427 453 HA HIS 62 HA HIS 62 37.243 13.188 55.282 454 HB2 HIS 62 HB2 HIS 62 39.017 15.163 56.694 455 HB3 HIS 62 HB1 HIS 62 37.261 15.009 56.757 456 HD2 HIS 62 HD2 HIS 62 38.918 14.805 59.611 457 HE1 HIS 62 HE1 HIS 62 38.136 10.665 59.341 458 HE2 HIS 62 HE2 HIS 62 38.822 12.542 60.909 459 H HIS 63 HN HIS 63 37.171 15.818 54.754 460 HA HIS 63 HA HIS 63 39.184 16.661 52.895 461 HB2 HIS 63 HB2 HIS 63 36.827 15.186 51.936 462 HB3 HIS 63 HB1 HIS 63 37.102 16.727 51.123 463 HD2 HIS 63 HD2 HIS 63 38.221 13.213 50.618 464 HE1 HIS 63 HE1 HIS 63 41.523 15.521 49.356 465 HE2 HIS 63 HE2 HIS 63 40.492 13.200 49.330 466 H HIS 64 HN HIS 64 39.221 18.811 52.991 467 HA HIS 64 HA HIS 64 37.389 20.341 54.456 468 HB2 HIS 64 HB2 HIS 64 38.529 22.288 53.536 469 HB3 HIS 64 HB1 HIS 64 39.714 21.044 53.934 470 HD2 HIS 64 HD2 HIS 64 37.849 22.275 50.631 471 HE1 HIS 64 HE1 HIS 64 41.562 20.562 49.580 472 HE2 HIS 64 HE2 HIS 64 39.507 21.756 48.683 Start of MODEL 29 1 H1 MET 1 HT1 MET 1 9.149 -16.190 42.223 2 H2 MET 1 HT2 MET 1 9.593 -16.694 43.783 3 H3 MET 1 HT3 MET 1 7.982 -16.842 43.267 4 HA MET 1 HA MET 1 9.628 -18.880 43.252 5 HB2 MET 1 HB2 MET 1 8.248 -19.644 41.164 6 HB3 MET 1 HB1 MET 1 7.393 -19.279 42.664 7 HG2 MET 1 HG2 MET 1 6.507 -17.311 41.845 8 HG3 MET 1 HG1 MET 1 7.865 -17.030 40.755 9 HE1 MET 1 HE1 MET 1 8.032 -17.756 38.377 10 HE2 MET 1 HE2 MET 1 6.845 -16.486 38.660 11 HE3 MET 1 HE3 MET 1 6.485 -17.779 37.520 12 H GLU 2 HN GLU 2 11.687 -19.011 42.577 13 HA GLU 2 HA GLU 2 12.243 -18.675 39.730 14 HB2 GLU 2 HB2 GLU 2 14.389 -17.388 40.428 15 HB3 GLU 2 HB1 GLU 2 12.866 -16.501 40.341 16 HG2 GLU 2 HG2 GLU 2 13.442 -17.799 42.942 17 HG3 GLU 2 HG1 GLU 2 14.498 -16.454 42.511 18 H GLU 3 HN GLU 3 12.652 -20.867 39.592 19 HA GLU 3 HA GLU 3 15.269 -21.733 40.302 20 HB2 GLU 3 HB2 GLU 3 14.532 -22.103 42.507 21 HB3 GLU 3 HB1 GLU 3 12.956 -22.689 41.975 22 HG2 GLU 3 HG2 GLU 3 13.793 -24.767 41.329 23 HG3 GLU 3 HG1 GLU 3 15.434 -24.154 41.126 24 H GLY 4 HN GLY 4 15.555 -22.484 38.263 25 HA2 GLY 4 HA2 GLY 4 15.545 -24.482 36.922 26 HA3 GLY 4 HA1 GLY 4 13.895 -24.785 37.455 27 H GLY 5 HN GLY 5 15.019 -21.621 36.457 28 HA2 GLY 5 HA2 GLY 5 12.912 -21.315 34.563 29 HA3 GLY 5 HA1 GLY 5 14.260 -20.207 34.802 30 H ASP 6 HN ASP 6 12.862 -22.410 32.697 31 HA ASP 6 HA ASP 6 15.292 -23.261 31.367 32 HB2 ASP 6 HB2 ASP 6 12.630 -24.145 31.432 33 HB3 ASP 6 HB1 ASP 6 12.890 -23.569 29.785 34 H PHE 7 HN PHE 7 16.087 -22.518 29.427 35 HA PHE 7 HA PHE 7 15.062 -19.893 28.562 36 HB2 PHE 7 HB2 PHE 7 17.282 -19.581 27.545 37 HB3 PHE 7 HB1 PHE 7 17.414 -19.940 29.266 38 HD1 PHE 7 HD1 PHE 7 17.812 -22.393 29.953 39 HD2 PHE 7 HD2 PHE 7 18.374 -20.933 25.952 40 HE1 PHE 7 HE1 PHE 7 19.230 -24.360 29.433 41 HE2 PHE 7 HE2 PHE 7 19.792 -22.900 25.433 42 HZ PHE 7 HZ PHE 7 20.220 -24.613 27.175 43 H ASP 8 HN ASP 8 16.317 -19.858 26.044 44 HA ASP 8 HA ASP 8 15.775 -20.303 23.854 45 HB2 ASP 8 HB2 ASP 8 17.045 -22.417 24.714 46 HB3 ASP 8 HB1 ASP 8 15.464 -23.189 24.609 47 H ASN 9 HN ASN 9 13.599 -19.508 25.434 48 HA ASN 9 HA ASN 9 11.416 -20.879 24.015 49 HB2 ASN 9 HB2 ASN 9 11.487 -21.824 26.289 50 HB3 ASN 9 HB1 ASN 9 11.374 -20.200 26.964 51 HD21 ASN 9 HD21 ASN 9 9.295 -21.110 27.965 52 HD22 ASN 9 HD22 ASN 9 7.883 -21.071 27.023 53 H TYR 10 HN TYR 10 12.614 -18.465 23.293 54 HA TYR 10 HA TYR 10 10.338 -16.724 23.321 55 HB2 TYR 10 HB2 TYR 10 12.636 -16.219 25.118 56 HB3 TYR 10 HB1 TYR 10 12.061 -14.836 24.187 57 HD1 TYR 10 HD2 TYR 10 9.571 -14.269 24.258 58 HD2 TYR 10 HD1 TYR 10 11.430 -17.006 26.997 59 HE1 TYR 10 HE2 TYR 10 7.650 -14.022 25.808 60 HE2 TYR 10 HE1 TYR 10 9.510 -16.759 28.547 61 HH TYR 10 HH TYR 10 6.613 -15.612 27.714 62 H TYR 11 HN TYR 11 10.438 -15.154 21.708 63 HA TYR 11 HA TYR 11 12.005 -15.706 19.460 64 HB2 TYR 11 HB2 TYR 11 10.175 -13.549 20.307 65 HB3 TYR 11 HB1 TYR 11 11.353 -13.093 19.076 66 HD1 TYR 11 HD2 TYR 11 9.657 -16.367 19.722 67 HD2 TYR 11 HD1 TYR 11 10.204 -13.068 17.027 68 HE1 TYR 11 HE2 TYR 11 8.319 -17.551 18.002 69 HE2 TYR 11 HE1 TYR 11 8.867 -14.252 15.306 70 HH TYR 11 HH TYR 11 7.916 -17.578 15.687 71 H GLY 12 HN GLY 12 13.259 -13.657 18.435 72 HA2 GLY 12 HA2 GLY 12 14.780 -11.815 19.478 73 HA3 GLY 12 HA1 GLY 12 15.515 -13.207 20.270 74 H ALA 13 HN ALA 13 16.201 -11.165 17.971 75 HA ALA 13 HA ALA 13 16.980 -13.088 15.894 76 HB1 ALA 13 HB1 ALA 13 17.572 -11.093 14.579 77 HB2 ALA 13 HB2 ALA 13 17.178 -10.067 15.958 78 HB3 ALA 13 HB3 ALA 13 15.910 -11.000 15.163 79 H ASP 14 HN ASP 14 18.433 -13.866 17.842 80 HA ASP 14 HA ASP 14 20.956 -12.350 17.896 81 HB2 ASP 14 HB2 ASP 14 21.542 -13.679 19.822 82 HB3 ASP 14 HB1 ASP 14 19.904 -13.069 20.054 83 H ASN 15 HN ASN 15 20.396 -13.590 15.479 84 HA ASN 15 HA ASN 15 21.941 -16.086 15.465 85 HB2 ASN 15 HB2 ASN 15 20.566 -14.750 13.130 86 HB3 ASN 15 HB1 ASN 15 21.112 -16.422 13.248 87 HD21 ASN 15 HD21 ASN 15 18.405 -15.912 12.636 88 HD22 ASN 15 HD22 ASN 15 17.441 -16.349 13.963 89 H GLN 16 HN GLN 16 22.038 -12.764 14.313 90 HA GLN 16 HA GLN 16 24.132 -12.859 12.505 91 HB2 GLN 16 HB2 GLN 16 24.533 -10.520 13.042 92 HB3 GLN 16 HB1 GLN 16 22.796 -10.829 13.037 93 HG2 GLN 16 HG2 GLN 16 23.454 -11.393 15.643 94 HG3 GLN 16 HG1 GLN 16 24.561 -10.072 15.271 95 HE21 GLN 16 HE21 GLN 16 21.249 -10.863 15.958 96 HE22 GLN 16 HE22 GLN 16 20.621 -9.299 15.753 97 H SER 17 HN SER 17 24.188 -13.339 15.929 98 HA SER 17 HA SER 17 25.919 -13.556 17.451 99 HB2 SER 17 HB2 SER 17 25.967 -15.680 16.151 100 HB3 SER 17 HB1 SER 17 27.160 -14.961 15.074 101 HG SER 17 HG SER 17 27.561 -16.158 17.395 102 H GLU 18 HN GLU 18 26.013 -11.049 16.223 103 HA GLU 18 HA GLU 18 27.424 -9.319 15.618 104 HB2 GLU 18 HB2 GLU 18 28.111 -10.428 18.103 105 HB3 GLU 18 HB1 GLU 18 29.643 -10.143 17.278 106 HG2 GLU 18 HG2 GLU 18 29.074 -8.120 18.459 107 HG3 GLU 18 HG1 GLU 18 28.825 -7.817 16.741 108 H CYS 19 HN CYS 19 30.180 -9.092 15.544 109 HA CYS 19 HA CYS 19 32.038 -9.536 14.260 110 HB2 CYS 19 HB2 CYS 19 32.651 -11.705 14.075 111 HB3 CYS 19 HB1 CYS 19 31.196 -12.030 15.019 112 HG CYS 19 HG CYS 19 29.921 -12.361 12.687 113 H GLU 20 HN GLU 20 32.643 -9.323 12.095 114 HA GLU 20 HA GLU 20 32.381 -8.903 9.848 115 HB2 GLU 20 HB2 GLU 20 30.936 -11.139 10.184 116 HB3 GLU 20 HB1 GLU 20 29.633 -10.031 9.752 117 HG2 GLU 20 HG2 GLU 20 31.042 -9.310 7.771 118 HG3 GLU 20 HG1 GLU 20 32.127 -10.647 8.151 119 H TYR 21 HN TYR 21 30.684 -7.574 12.272 120 HA TYR 21 HA TYR 21 29.517 -5.528 10.500 121 HB2 TYR 21 HB2 TYR 21 27.548 -6.616 11.104 122 HB3 TYR 21 HB1 TYR 21 28.156 -7.043 12.703 123 HD1 TYR 21 HD2 TYR 21 27.016 -4.192 10.594 124 HD2 TYR 21 HD1 TYR 21 27.855 -5.596 14.567 125 HE1 TYR 21 HE2 TYR 21 25.984 -2.143 11.537 126 HE2 TYR 21 HE1 TYR 21 26.822 -3.547 15.509 127 HH TYR 21 HH TYR 21 25.891 -1.586 15.059 128 H THR 22 HN THR 22 30.781 -6.431 13.658 129 HA THR 22 HA THR 22 30.912 -3.643 14.519 130 HB THR 22 HB THR 22 31.836 -6.175 15.899 131 HG1 THR 22 HG1 THR 22 29.434 -5.294 15.434 132 HG21 THR 22 HG21 THR 22 31.653 -3.283 16.744 133 HG22 THR 22 HG22 THR 22 33.045 -4.361 16.839 134 HG23 THR 22 HG23 THR 22 31.670 -4.598 17.919 135 H ASP 23 HN ASP 23 32.931 -6.090 13.121 136 HA ASP 23 HA ASP 23 35.395 -4.650 13.747 137 HB2 ASP 23 HB2 ASP 23 35.338 -7.135 13.797 138 HB3 ASP 23 HB1 ASP 23 34.985 -7.136 12.070 139 H TRP 24 HN TRP 24 32.990 -4.151 11.645 140 HA TRP 24 HA TRP 24 34.184 -3.939 9.114 141 HB2 TRP 24 HB2 TRP 24 32.323 -2.591 8.499 142 HB3 TRP 24 HB1 TRP 24 31.719 -3.756 9.674 143 HD1 TRP 24 HD1 TRP 24 33.229 -1.924 12.103 144 HE1 TRP 24 HE1 TRP 24 31.880 0.091 12.963 145 HE3 TRP 24 HE3 TRP 24 29.946 -1.345 8.232 146 HZ2 TRP 24 HZ2 TRP 24 29.695 1.736 12.125 147 HZ3 TRP 24 HZ3 TRP 24 28.242 0.454 8.291 148 HH2 TRP 24 HH2 TRP 24 28.112 1.993 10.230 149 H LYS 25 HN LYS 25 33.422 -1.045 8.759 150 HA LYS 25 HA LYS 25 35.983 0.075 8.813 151 HB2 LYS 25 HB2 LYS 25 34.818 2.248 8.473 152 HB3 LYS 25 HB1 LYS 25 34.253 0.982 7.387 153 HG2 LYS 25 HG2 LYS 25 32.160 1.160 8.184 154 HG3 LYS 25 HG1 LYS 25 32.731 0.893 9.830 155 HD2 LYS 25 HD2 LYS 25 31.647 3.059 9.746 156 HD3 LYS 25 HD1 LYS 25 33.380 3.318 9.932 157 HE2 LYS 25 HE2 LYS 25 32.880 3.141 7.146 158 HE3 LYS 25 HE1 LYS 25 31.651 4.214 7.814 159 HZ1 LYS 25 HZ1 LYS 25 33.692 5.391 7.198 160 HZ2 LYS 25 HZ2 LYS 25 34.570 4.452 8.310 161 HZ3 LYS 25 HZ3 LYS 25 33.365 5.518 8.857 162 H SER 26 HN SER 26 36.734 -0.507 10.955 163 HA SER 26 HA SER 26 36.078 1.591 12.910 164 HB2 SER 26 HB2 SER 26 35.347 -1.149 13.180 165 HB3 SER 26 HB1 SER 26 36.631 -0.816 14.338 166 HG SER 26 HG SER 26 34.345 0.826 13.967 167 H SER 27 HN SER 27 38.340 0.698 11.001 168 HA SER 27 HA SER 27 40.627 0.978 11.011 169 HB2 SER 27 HB2 SER 27 39.812 2.544 13.102 170 HB3 SER 27 HB1 SER 27 40.899 1.417 13.909 171 HG SER 27 HG SER 27 42.458 1.939 12.292 172 H GLY 28 HN GLY 28 39.278 -1.562 11.559 173 HA2 GLY 28 HA2 GLY 28 40.113 -3.722 11.814 174 HA3 GLY 28 HA1 GLY 28 41.598 -3.043 12.474 175 H ALA 29 HN ALA 29 39.167 -1.530 14.070 176 HA ALA 29 HA ALA 29 38.393 -1.652 16.229 177 HB1 ALA 29 HB1 ALA 29 38.121 -4.514 15.314 178 HB2 ALA 29 HB2 ALA 29 36.862 -3.286 15.447 179 HB3 ALA 29 HB3 ALA 29 37.576 -3.979 16.903 180 H LEU 30 HN LEU 30 41.152 -1.548 16.045 181 HA LEU 30 HA LEU 30 41.929 -3.130 18.409 182 HB2 LEU 30 HB2 LEU 30 43.412 -2.894 15.795 183 HB3 LEU 30 HB1 LEU 30 44.245 -3.282 17.302 184 HG LEU 30 HG LEU 30 41.784 -4.845 16.765 185 HD11 LEU 30 HD11 LEU 30 44.288 -5.070 15.079 186 HD12 LEU 30 HD12 LEU 30 42.626 -4.879 14.521 187 HD13 LEU 30 HD13 LEU 30 43.139 -6.396 15.263 188 HD21 LEU 30 HD21 LEU 30 43.456 -5.106 18.689 189 HD22 LEU 30 HD22 LEU 30 44.576 -5.758 17.494 190 HD23 LEU 30 HD23 LEU 30 43.050 -6.581 17.812 191 H ILE 31 HN ILE 31 41.110 -0.712 18.881 192 HA ILE 31 HA ILE 31 43.100 0.650 20.163 193 HB ILE 31 HB ILE 31 43.253 1.177 17.314 194 HG12 ILE 31 HG12 ILE 31 45.118 0.730 18.969 195 HG13 ILE 31 HG11 ILE 31 45.378 2.128 17.933 196 HG21 ILE 31 HG21 ILE 31 41.774 3.080 17.690 197 HG22 ILE 31 HG22 ILE 31 43.419 3.653 17.457 198 HG23 ILE 31 HG23 ILE 31 42.734 3.601 19.076 199 HD11 ILE 31 HD11 ILE 31 43.948 2.800 20.405 200 HD12 ILE 31 HD12 ILE 31 45.374 3.550 19.690 201 HD13 ILE 31 HD13 ILE 31 45.545 2.115 20.698 202 HA PRO 32 HA PRO 32 39.193 3.470 19.503 203 HB2 PRO 32 HB2 PRO 32 37.243 1.549 18.402 204 HB3 PRO 32 HB1 PRO 32 37.610 3.202 17.880 205 HG2 PRO 32 HG2 PRO 32 38.314 1.060 16.434 206 HG3 PRO 32 HG1 PRO 32 39.300 2.532 16.490 207 HD2 PRO 32 HD2 PRO 32 39.721 -0.076 17.913 208 HD3 PRO 32 HD1 PRO 32 40.922 0.998 17.159 209 H ALA 33 HN ALA 33 38.437 0.011 19.964 210 HA ALA 33 HA ALA 33 36.463 0.126 21.856 211 HB1 ALA 33 HB1 ALA 33 36.954 -2.050 21.313 212 HB2 ALA 33 HB2 ALA 33 37.806 -1.948 22.854 213 HB3 ALA 33 HB3 ALA 33 38.696 -1.777 21.341 214 H ILE 34 HN ILE 34 39.826 0.950 22.242 215 HA ILE 34 HA ILE 34 39.703 1.002 25.140 216 HB ILE 34 HB ILE 34 41.797 1.768 23.112 217 HG12 ILE 34 HG12 ILE 34 43.041 -0.039 24.243 218 HG13 ILE 34 HG11 ILE 34 41.696 -0.268 25.362 219 HG21 ILE 34 HG21 ILE 34 41.637 2.373 26.054 220 HG22 ILE 34 HG22 ILE 34 42.207 3.402 24.740 221 HG23 ILE 34 HG23 ILE 34 43.202 2.059 25.304 222 HD11 ILE 34 HD11 ILE 34 40.304 -1.163 23.715 223 HD12 ILE 34 HD12 ILE 34 41.878 -1.799 23.235 224 HD13 ILE 34 HD13 ILE 34 41.200 -0.400 22.401 225 H TYR 35 HN TYR 35 39.573 3.285 22.460 226 HA TYR 35 HA TYR 35 39.695 5.651 24.037 227 HB2 TYR 35 HB2 TYR 35 39.478 4.974 21.273 228 HB3 TYR 35 HB1 TYR 35 38.192 6.116 21.663 229 HD1 TYR 35 HD1 TYR 35 38.822 8.246 22.958 230 HD2 TYR 35 HD2 TYR 35 41.708 5.710 21.033 231 HE1 TYR 35 HE1 TYR 35 40.472 10.097 22.994 232 HE2 TYR 35 HE2 TYR 35 43.358 7.562 21.070 233 HH TYR 35 HH TYR 35 43.186 10.139 22.969 234 H MET 36 HN MET 36 36.984 3.857 22.582 235 HA MET 36 HA MET 36 34.937 5.529 23.590 236 HB2 MET 36 HB2 MET 36 33.512 3.412 23.231 237 HB3 MET 36 HB1 MET 36 34.317 4.098 21.821 238 HG2 MET 36 HG2 MET 36 35.626 2.281 21.552 239 HG3 MET 36 HG1 MET 36 35.993 2.186 23.276 240 HE1 MET 36 HE1 MET 36 33.458 0.129 24.909 241 HE2 MET 36 HE2 MET 36 34.527 1.527 24.986 242 HE3 MET 36 HE3 MET 36 35.187 -0.057 24.586 243 H LEU 37 HN LEU 37 36.828 2.998 25.026 244 HA LEU 37 HA LEU 37 35.089 2.276 27.138 245 HB2 LEU 37 HB2 LEU 37 37.096 0.966 26.480 246 HB3 LEU 37 HB1 LEU 37 38.120 2.259 27.096 247 HG LEU 37 HG LEU 37 37.117 1.959 29.352 248 HD11 LEU 37 HD11 LEU 37 34.995 1.063 29.144 249 HD12 LEU 37 HD12 LEU 37 35.901 -0.410 29.489 250 HD13 LEU 37 HD13 LEU 37 35.462 -0.013 27.828 251 HD21 LEU 37 HD21 LEU 37 38.265 -0.108 29.876 252 HD22 LEU 37 HD22 LEU 37 39.175 0.716 28.610 253 HD23 LEU 37 HD23 LEU 37 38.139 -0.653 28.204 254 H VAL 38 HN VAL 38 37.384 4.903 26.714 255 HA VAL 38 HA VAL 38 36.950 5.813 29.469 256 HB VAL 38 HB VAL 38 38.656 7.240 27.450 257 HG11 VAL 38 HG11 VAL 38 38.043 7.816 30.016 258 HG12 VAL 38 HG12 VAL 38 39.603 8.218 29.297 259 HG13 VAL 38 HG13 VAL 38 39.434 6.765 30.282 260 HG21 VAL 38 HG21 VAL 38 40.453 5.639 28.685 261 HG22 VAL 38 HG22 VAL 38 39.710 5.223 27.141 262 HG23 VAL 38 HG23 VAL 38 39.072 4.543 28.639 263 H PHE 39 HN PHE 39 35.270 6.022 26.726 264 HA PHE 39 HA PHE 39 34.690 8.892 26.835 265 HB2 PHE 39 HB2 PHE 39 34.944 7.755 24.635 266 HB3 PHE 39 HB1 PHE 39 33.541 6.760 25.020 267 HD1 PHE 39 HD1 PHE 39 34.626 10.336 24.767 268 HD2 PHE 39 HD2 PHE 39 31.379 7.532 24.528 269 HE1 PHE 39 HE1 PHE 39 33.123 12.142 23.972 270 HE2 PHE 39 HE2 PHE 39 29.878 9.338 23.734 271 HZ PHE 39 HZ PHE 39 30.750 11.644 23.455 272 H LEU 40 HN LEU 40 32.683 5.942 26.675 273 HA LEU 40 HA LEU 40 30.367 7.156 27.734 274 HB2 LEU 40 HB2 LEU 40 29.554 4.849 28.056 275 HB3 LEU 40 HB1 LEU 40 30.294 5.056 26.468 276 HG LEU 40 HG LEU 40 32.447 4.332 28.037 277 HD11 LEU 40 HD11 LEU 40 30.165 2.506 28.809 278 HD12 LEU 40 HD12 LEU 40 30.692 3.834 29.842 279 HD13 LEU 40 HD13 LEU 40 31.807 2.524 29.450 280 HD21 LEU 40 HD21 LEU 40 31.943 3.486 25.791 281 HD22 LEU 40 HD22 LEU 40 30.570 2.576 26.422 282 HD23 LEU 40 HD23 LEU 40 32.211 2.131 26.890 283 H LEU 41 HN LEU 41 33.247 6.662 29.242 284 HA LEU 41 HA LEU 41 32.056 6.082 31.873 285 HB2 LEU 41 HB2 LEU 41 34.564 5.430 30.616 286 HB3 LEU 41 HB1 LEU 41 34.856 6.335 32.101 287 HG LEU 41 HG LEU 41 33.010 3.938 31.914 288 HD11 LEU 41 HD11 LEU 41 35.939 4.201 32.424 289 HD12 LEU 41 HD12 LEU 41 35.043 2.878 31.677 290 HD13 LEU 41 HD13 LEU 41 35.040 3.065 33.430 291 HD21 LEU 41 HD21 LEU 41 34.098 4.549 34.518 292 HD22 LEU 41 HD22 LEU 41 32.408 4.488 34.016 293 HD23 LEU 41 HD23 LEU 41 33.324 5.985 33.848 294 H GLY 42 HN GLY 42 32.660 8.692 30.002 295 HA2 GLY 42 HA2 GLY 42 33.035 10.429 32.358 296 HA3 GLY 42 HA1 GLY 42 34.014 10.685 30.917 297 H THR 43 HN THR 43 31.090 9.559 29.882 298 HA THR 43 HA THR 43 30.159 12.291 29.288 299 HB THR 43 HB THR 43 30.631 10.436 27.492 300 HG1 THR 43 HG1 THR 43 28.118 11.700 27.354 301 HG21 THR 43 HG21 THR 43 27.758 9.769 28.092 302 HG22 THR 43 HG22 THR 43 29.065 8.863 28.852 303 HG23 THR 43 HG23 THR 43 28.913 8.885 27.095 304 H THR 44 HN THR 44 29.403 9.472 31.094 305 HA THR 44 HA THR 44 26.900 10.721 31.983 306 HB THR 44 HB THR 44 26.041 8.196 31.976 307 HG1 THR 44 HG1 THR 44 26.849 7.071 30.285 308 HG21 THR 44 HG21 THR 44 26.043 10.142 29.657 309 HG22 THR 44 HG22 THR 44 24.826 9.988 30.925 310 HG23 THR 44 HG23 THR 44 25.015 8.711 29.723 311 H GLY 45 HN GLY 45 27.790 7.411 32.641 312 HA2 GLY 45 HA2 GLY 45 29.164 8.031 35.117 313 HA3 GLY 45 HA1 GLY 45 27.544 7.374 35.332 314 H ASN 46 HN ASN 46 27.146 5.360 33.862 315 HA ASN 46 HA ASN 46 27.604 3.125 33.578 316 HB2 ASN 46 HB2 ASN 46 29.784 4.636 32.380 317 HB3 ASN 46 HB1 ASN 46 30.301 3.034 32.905 318 HD21 ASN 46 HD21 ASN 46 27.658 4.627 31.040 319 HD22 ASN 46 HD22 ASN 46 27.423 3.320 29.983 320 H GLY 47 HN GLY 47 27.486 2.115 35.513 321 HA2 GLY 47 HA2 GLY 47 29.345 0.737 36.765 322 HA3 GLY 47 HA1 GLY 47 29.714 2.334 37.407 323 H LEU 48 HN LEU 48 27.072 3.328 37.583 324 HA LEU 48 HA LEU 48 25.617 1.468 39.309 325 HB2 LEU 48 HB2 LEU 48 27.323 3.543 40.335 326 HB3 LEU 48 HB1 LEU 48 25.644 3.913 40.727 327 HG LEU 48 HG LEU 48 26.950 1.223 41.224 328 HD11 LEU 48 HD11 LEU 48 26.597 3.665 42.954 329 HD12 LEU 48 HD12 LEU 48 28.027 2.653 42.751 330 HD13 LEU 48 HD13 LEU 48 26.649 2.055 43.674 331 HD21 LEU 48 HD21 LEU 48 24.245 2.069 41.131 332 HD22 LEU 48 HD22 LEU 48 24.644 1.858 42.835 333 HD23 LEU 48 HD23 LEU 48 24.863 0.522 41.707 334 H VAL 49 HN VAL 49 25.790 4.184 37.237 335 HA VAL 49 HA VAL 49 23.225 5.316 37.786 336 HB VAL 49 HB VAL 49 25.057 5.489 35.387 337 HG11 VAL 49 HG11 VAL 49 23.494 7.591 35.025 338 HG12 VAL 49 HG12 VAL 49 22.326 6.615 35.917 339 HG13 VAL 49 HG13 VAL 49 23.011 6.011 34.408 340 HG21 VAL 49 HG21 VAL 49 25.423 7.784 36.281 341 HG22 VAL 49 HG22 VAL 49 25.903 6.541 37.437 342 HG23 VAL 49 HG23 VAL 49 24.376 7.399 37.648 343 H LEU 50 HN LEU 50 24.245 2.482 36.195 344 HA LEU 50 HA LEU 50 21.828 2.311 34.547 345 HB2 LEU 50 HB2 LEU 50 22.993 -0.012 34.031 346 HB3 LEU 50 HB1 LEU 50 23.552 1.475 33.267 347 HG LEU 50 HG LEU 50 25.308 1.720 34.956 348 HD11 LEU 50 HD11 LEU 50 24.392 0.824 36.939 349 HD12 LEU 50 HD12 LEU 50 25.624 -0.354 36.489 350 HD13 LEU 50 HD13 LEU 50 23.926 -0.682 36.148 351 HD21 LEU 50 HD21 LEU 50 25.469 0.110 32.894 352 HD22 LEU 50 HD22 LEU 50 25.444 -1.164 34.113 353 HD23 LEU 50 HD23 LEU 50 26.725 0.048 34.131 354 H TRP 51 HN TRP 51 22.650 1.701 37.676 355 HA TRP 51 HA TRP 51 21.253 -0.829 37.980 356 HB2 TRP 51 HB2 TRP 51 22.607 -0.908 39.768 357 HB3 TRP 51 HB1 TRP 51 23.047 0.787 39.568 358 HD1 TRP 51 HD1 TRP 51 21.367 2.614 40.697 359 HE1 TRP 51 HE1 TRP 51 19.910 2.430 42.816 360 HE3 TRP 51 HE3 TRP 51 21.246 -2.461 41.247 361 HZ2 TRP 51 HZ2 TRP 51 18.834 0.399 44.519 362 HZ3 TRP 51 HZ3 TRP 51 19.999 -3.493 43.124 363 HH2 TRP 51 HH2 TRP 51 18.795 -2.071 44.759 364 H THR 52 HN THR 52 20.584 2.565 38.182 365 HA THR 52 HA THR 52 18.172 2.307 39.739 366 HB THR 52 HB THR 52 19.701 4.389 39.464 367 HG1 THR 52 HG1 THR 52 17.068 5.125 39.043 368 HG21 THR 52 HG21 THR 52 19.400 5.754 37.603 369 HG22 THR 52 HG22 THR 52 17.840 5.037 37.203 370 HG23 THR 52 HG23 THR 52 19.328 4.151 36.870 371 H VAL 53 HN VAL 53 19.036 1.859 36.460 372 HA VAL 53 HA VAL 53 16.411 2.408 35.366 373 HB VAL 53 HB VAL 53 18.846 1.072 34.161 374 HG11 VAL 53 HG11 VAL 53 16.119 1.764 33.094 375 HG12 VAL 53 HG12 VAL 53 17.072 0.301 32.840 376 HG13 VAL 53 HG13 VAL 53 17.518 1.798 32.020 377 HG21 VAL 53 HG21 VAL 53 17.725 3.885 34.098 378 HG22 VAL 53 HG22 VAL 53 18.886 3.303 32.904 379 HG23 VAL 53 HG23 VAL 53 19.333 3.371 34.609 380 H PHE 54 HN PHE 54 18.416 -0.533 35.681 381 HA PHE 54 HA PHE 54 16.699 -2.467 34.849 382 HB2 PHE 54 HB2 PHE 54 18.374 -3.722 35.642 383 HB3 PHE 54 HB1 PHE 54 18.974 -2.359 36.586 384 HD1 PHE 54 HD2 PHE 54 16.425 -5.092 36.620 385 HD2 PHE 54 HD1 PHE 54 18.771 -2.338 38.936 386 HE1 PHE 54 HE2 PHE 54 15.664 -6.196 38.705 387 HE2 PHE 54 HE1 PHE 54 18.009 -3.442 41.021 388 HZ PHE 54 HZ PHE 54 16.456 -5.372 40.906 389 H ARG 55 HN ARG 55 16.658 -0.890 38.030 390 HA ARG 55 HA ARG 55 14.540 -2.423 39.122 391 HB2 ARG 55 HB2 ARG 55 15.935 -1.158 40.607 392 HB3 ARG 55 HB1 ARG 55 15.569 0.346 39.763 393 HG2 ARG 55 HG2 ARG 55 13.520 0.566 40.756 394 HG3 ARG 55 HG1 ARG 55 13.230 -1.174 40.777 395 HD2 ARG 55 HD2 ARG 55 15.346 0.030 42.543 396 HD3 ARG 55 HD1 ARG 55 13.656 0.053 43.040 397 HE ARG 55 HE ARG 55 14.074 -2.551 42.346 398 HH11 ARG 55 HH21 ARG 55 15.694 -0.276 44.389 399 HH12 ARG 55 HH22 ARG 55 16.271 -1.474 45.499 400 HH21 ARG 55 HH11 ARG 55 14.827 -4.128 43.797 401 HH22 ARG 55 HH12 ARG 55 15.780 -3.655 45.164 402 H LYS 56 HN LYS 56 14.588 0.747 37.503 403 HA LYS 56 HA LYS 56 11.973 1.518 37.692 404 HB2 LYS 56 HB2 LYS 56 14.174 2.124 35.991 405 HB3 LYS 56 HB1 LYS 56 12.754 1.910 34.970 406 HG2 LYS 56 HG2 LYS 56 12.834 4.229 35.642 407 HG3 LYS 56 HG1 LYS 56 11.505 3.467 36.513 408 HD2 LYS 56 HD2 LYS 56 13.687 3.041 38.182 409 HD3 LYS 56 HD1 LYS 56 13.965 4.665 37.553 410 HE2 LYS 56 HE2 LYS 56 12.612 4.814 39.576 411 HE3 LYS 56 HE1 LYS 56 11.626 5.269 38.185 412 HZ1 LYS 56 HZ1 LYS 56 11.691 2.493 39.196 413 HZ2 LYS 56 HZ2 LYS 56 10.525 3.234 38.204 414 HZ3 LYS 56 HZ3 LYS 56 10.633 3.647 39.849 415 H LYS 57 HN LYS 57 13.301 -0.609 35.153 416 HA LYS 57 HA LYS 57 10.666 -1.263 34.165 417 HB2 LYS 57 HB2 LYS 57 13.351 -2.506 33.520 418 HB3 LYS 57 HB1 LYS 57 11.855 -2.733 32.613 419 HG2 LYS 57 HG2 LYS 57 12.153 -0.798 31.496 420 HG3 LYS 57 HG1 LYS 57 12.418 0.089 32.997 421 HD2 LYS 57 HD2 LYS 57 14.752 -0.498 33.029 422 HD3 LYS 57 HD1 LYS 57 14.539 -1.632 31.694 423 HE2 LYS 57 HE2 LYS 57 13.813 0.310 30.261 424 HE3 LYS 57 HE1 LYS 57 14.270 1.383 31.584 425 HZ1 LYS 57 HZ1 LYS 57 15.925 0.076 29.672 426 HZ2 LYS 57 HZ2 LYS 57 16.412 -0.293 31.258 427 HZ3 LYS 57 HZ3 LYS 57 16.310 1.326 30.751 428 H GLY 58 HN GLY 58 10.881 -1.854 36.895 429 HA2 GLY 58 HA2 GLY 58 11.572 -4.511 37.506 430 HA3 GLY 58 HA1 GLY 58 10.415 -3.530 38.402 431 H HIS 59 HN HIS 59 8.703 -3.120 36.047 432 HA HIS 59 HA HIS 59 6.970 -5.338 36.382 433 HB2 HIS 59 HB2 HIS 59 6.794 -2.779 35.269 434 HB3 HIS 59 HB1 HIS 59 6.496 -3.876 33.921 435 HD2 HIS 59 HD2 HIS 59 5.031 -3.380 37.597 436 HE1 HIS 59 HE1 HIS 59 2.081 -5.148 35.148 437 HE2 HIS 59 HE2 HIS 59 2.561 -4.219 37.462 438 H HIS 60 HN HIS 60 8.857 -4.292 33.534 439 HA HIS 60 HA HIS 60 9.437 -5.455 31.620 440 HB2 HIS 60 HB2 HIS 60 10.820 -6.385 33.756 441 HB3 HIS 60 HB1 HIS 60 10.060 -7.877 33.200 442 HD2 HIS 60 HD2 HIS 60 11.616 -9.078 31.275 443 HE1 HIS 60 HE1 HIS 60 13.403 -5.609 29.666 444 HE2 HIS 60 HE2 HIS 60 13.294 -8.140 29.508 445 H HIS 61 HN HIS 61 9.433 -8.247 31.147 446 HA HIS 61 HA HIS 61 8.019 -9.725 30.068 447 HB2 HIS 61 HB2 HIS 61 7.810 -10.040 32.721 448 HB3 HIS 61 HB1 HIS 61 6.139 -9.599 32.368 449 HD2 HIS 61 HD2 HIS 61 8.528 -12.010 30.268 450 HE1 HIS 61 HE1 HIS 61 4.925 -14.028 31.147 451 HE2 HIS 61 HE2 HIS 61 7.153 -14.205 29.938 452 H HIS 62 HN HIS 62 7.519 -7.045 29.332 453 HA HIS 62 HA HIS 62 4.958 -6.067 29.500 454 HB2 HIS 62 HB2 HIS 62 6.450 -6.135 26.881 455 HB3 HIS 62 HB1 HIS 62 5.376 -4.879 27.498 456 HD2 HIS 62 HD2 HIS 62 6.913 -4.754 30.543 457 HE1 HIS 62 HE1 HIS 62 10.205 -3.488 28.222 458 HE2 HIS 62 HE2 HIS 62 9.245 -3.580 30.572 459 H HIS 63 HN HIS 63 3.111 -6.220 28.087 460 HA HIS 63 HA HIS 63 2.154 -8.805 27.697 461 HB2 HIS 63 HB2 HIS 63 1.333 -6.218 26.360 462 HB3 HIS 63 HB1 HIS 63 0.418 -7.723 26.252 463 HD2 HIS 63 HD2 HIS 63 -1.385 -8.021 28.322 464 HE1 HIS 63 HE1 HIS 63 0.369 -5.313 31.044 465 HE2 HIS 63 HE2 HIS 63 -1.600 -6.869 30.655 466 H HIS 64 HN HIS 64 3.535 -10.141 26.564 467 HA HIS 64 HA HIS 64 3.273 -10.285 23.782 468 HB2 HIS 64 HB2 HIS 64 4.726 -8.705 23.096 469 HB3 HIS 64 HB1 HIS 64 5.411 -8.519 24.710 470 HD2 HIS 64 HD2 HIS 64 5.995 -10.749 21.501 471 HE1 HIS 64 HE1 HIS 64 9.273 -11.267 24.111 472 HE2 HIS 64 HE2 HIS 64 8.359 -11.815 21.807 Start of MODEL 30 1 H1 MET 1 HT1 MET 1 14.059 3.214 -13.766 2 H2 MET 1 HT2 MET 1 15.007 2.307 -14.845 3 H3 MET 1 HT3 MET 1 14.033 1.519 -13.697 4 HA MET 1 HA MET 1 13.032 1.419 -15.896 5 HB2 MET 1 HB2 MET 1 11.784 2.856 -13.599 6 HB3 MET 1 HB1 MET 1 10.907 2.866 -15.129 7 HG2 MET 1 HG2 MET 1 10.333 0.926 -13.613 8 HG3 MET 1 HG1 MET 1 10.886 0.457 -15.220 9 HE1 MET 1 HE1 MET 1 12.102 -2.018 -14.828 10 HE2 MET 1 HE2 MET 1 10.755 -1.641 -13.756 11 HE3 MET 1 HE3 MET 1 12.215 -2.375 -13.099 12 H GLU 2 HN GLU 2 11.906 4.598 -14.991 13 HA GLU 2 HA GLU 2 13.458 6.169 -16.737 14 HB2 GLU 2 HB2 GLU 2 11.516 6.505 -18.446 15 HB3 GLU 2 HB1 GLU 2 12.599 5.127 -18.640 16 HG2 GLU 2 HG2 GLU 2 11.007 3.600 -17.971 17 HG3 GLU 2 HG1 GLU 2 10.189 4.756 -16.920 18 H GLU 3 HN GLU 3 13.312 7.977 -15.570 19 HA GLU 3 HA GLU 3 12.435 9.790 -14.467 20 HB2 GLU 3 HB2 GLU 3 9.837 9.165 -15.871 21 HB3 GLU 3 HB1 GLU 3 10.429 10.735 -15.325 22 HG2 GLU 3 HG2 GLU 3 12.414 10.330 -16.928 23 HG3 GLU 3 HG1 GLU 3 11.410 9.065 -17.638 24 H GLY 4 HN GLY 4 12.469 9.052 -12.369 25 HA2 GLY 4 HA2 GLY 4 10.478 9.090 -10.664 26 HA3 GLY 4 HA1 GLY 4 10.175 7.509 -11.378 27 H GLY 5 HN GLY 5 12.935 6.806 -11.765 28 HA2 GLY 5 HA2 GLY 5 13.537 5.413 -9.471 29 HA3 GLY 5 HA1 GLY 5 14.748 5.910 -10.650 30 H ASP 6 HN ASP 6 14.973 5.725 -7.729 31 HA ASP 6 HA ASP 6 16.102 8.373 -7.275 32 HB2 ASP 6 HB2 ASP 6 14.545 9.119 -5.854 33 HB3 ASP 6 HB1 ASP 6 13.558 7.708 -6.233 34 H PHE 7 HN PHE 7 17.229 8.393 -5.060 35 HA PHE 7 HA PHE 7 19.064 7.530 -3.944 36 HB2 PHE 7 HB2 PHE 7 17.050 6.726 -2.657 37 HB3 PHE 7 HB1 PHE 7 17.189 5.195 -3.523 38 HD1 PHE 7 HD1 PHE 7 18.866 7.477 -1.135 39 HD2 PHE 7 HD2 PHE 7 18.946 3.623 -3.030 40 HE1 PHE 7 HE1 PHE 7 20.610 6.728 0.462 41 HE2 PHE 7 HE2 PHE 7 20.690 2.874 -1.434 42 HZ PHE 7 HZ PHE 7 21.522 4.426 0.312 43 H ASP 8 HN ASP 8 20.503 7.205 -5.673 44 HA ASP 8 HA ASP 8 20.933 4.370 -6.328 45 HB2 ASP 8 HB2 ASP 8 19.699 5.599 -8.197 46 HB3 ASP 8 HB1 ASP 8 21.178 6.531 -8.419 47 H ASN 9 HN ASN 9 22.322 5.697 -4.386 48 HA ASN 9 HA ASN 9 24.418 6.365 -3.710 49 HB2 ASN 9 HB2 ASN 9 24.659 4.010 -4.921 50 HB3 ASN 9 HB1 ASN 9 25.617 4.963 -6.052 51 HD21 ASN 9 HD21 ASN 9 27.758 4.456 -5.472 52 HD22 ASN 9 HD22 ASN 9 28.378 4.609 -3.900 53 H TYR 10 HN TYR 10 23.097 8.237 -5.351 54 HA TYR 10 HA TYR 10 24.612 9.221 -7.499 55 HB2 TYR 10 HB2 TYR 10 22.356 10.072 -5.948 56 HB3 TYR 10 HB1 TYR 10 23.465 11.430 -6.143 57 HD1 TYR 10 HD1 TYR 10 24.376 11.890 -8.521 58 HD2 TYR 10 HD2 TYR 10 20.953 9.421 -7.721 59 HE1 TYR 10 HE1 TYR 10 23.629 12.164 -10.870 60 HE2 TYR 10 HE2 TYR 10 20.206 9.695 -10.070 61 HH TYR 10 HH TYR 10 21.438 12.040 -12.127 62 H TYR 11 HN TYR 11 25.570 8.873 -4.357 63 HA TYR 11 HA TYR 11 26.899 11.255 -3.722 64 HB2 TYR 11 HB2 TYR 11 27.641 10.090 -1.939 65 HB3 TYR 11 HB1 TYR 11 26.628 8.779 -2.544 66 HD1 TYR 11 HD2 TYR 11 27.689 7.218 -4.346 67 HD2 TYR 11 HD1 TYR 11 29.958 9.775 -1.743 68 HE1 TYR 11 HE2 TYR 11 29.711 5.840 -4.752 69 HE2 TYR 11 HE1 TYR 11 31.979 8.396 -2.150 70 HH TYR 11 HH TYR 11 32.119 6.031 -4.634 71 H GLY 12 HN GLY 12 29.457 11.149 -3.485 72 HA2 GLY 12 HA2 GLY 12 30.900 9.956 -5.653 73 HA3 GLY 12 HA1 GLY 12 30.592 11.666 -5.940 74 H ALA 13 HN ALA 13 32.375 12.791 -5.495 75 HA ALA 13 HA ALA 13 34.247 13.574 -4.418 76 HB1 ALA 13 HB1 ALA 13 32.411 13.834 -2.628 77 HB2 ALA 13 HB2 ALA 13 34.089 13.860 -2.083 78 HB3 ALA 13 HB3 ALA 13 33.118 12.401 -1.883 79 H ASP 14 HN ASP 14 35.065 11.542 -5.707 80 HA ASP 14 HA ASP 14 36.005 9.366 -4.033 81 HB2 ASP 14 HB2 ASP 14 36.651 10.006 -6.921 82 HB3 ASP 14 HB1 ASP 14 36.972 8.485 -6.089 83 H ASN 15 HN ASN 15 37.122 11.095 -2.644 84 HA ASN 15 HA ASN 15 39.943 11.095 -3.377 85 HB2 ASN 15 HB2 ASN 15 38.342 13.620 -2.965 86 HB3 ASN 15 HB1 ASN 15 40.092 13.566 -2.757 87 HD21 ASN 15 HD21 ASN 15 37.518 12.929 -5.180 88 HD22 ASN 15 HD22 ASN 15 38.514 13.196 -6.527 89 H GLN 16 HN GLN 16 38.521 9.671 -1.403 90 HA GLN 16 HA GLN 16 38.906 11.031 1.136 91 HB2 GLN 16 HB2 GLN 16 38.244 8.713 2.026 92 HB3 GLN 16 HB1 GLN 16 37.026 9.602 1.112 93 HG2 GLN 16 HG2 GLN 16 38.836 7.877 -0.484 94 HG3 GLN 16 HG1 GLN 16 37.703 7.033 0.571 95 HE21 GLN 16 HE21 GLN 16 36.984 10.192 -0.893 96 HE22 GLN 16 HE22 GLN 16 35.760 9.622 -1.921 97 H SER 17 HN SER 17 41.304 11.165 0.124 98 HA SER 17 HA SER 17 42.973 8.882 0.464 99 HB2 SER 17 HB2 SER 17 43.335 11.753 -0.101 100 HB3 SER 17 HB1 SER 17 44.677 10.990 0.747 101 HG SER 17 HG SER 17 43.626 10.497 -1.797 102 H GLU 18 HN GLU 18 43.718 7.994 2.276 103 HA GLU 18 HA GLU 18 43.949 9.659 4.701 104 HB2 GLU 18 HB2 GLU 18 42.692 6.910 4.534 105 HB3 GLU 18 HB1 GLU 18 43.066 7.758 6.036 106 HG2 GLU 18 HG2 GLU 18 41.276 8.880 3.866 107 HG3 GLU 18 HG1 GLU 18 40.679 8.026 5.287 108 H CYS 19 HN CYS 19 44.941 7.914 6.462 109 HA CYS 19 HA CYS 19 47.630 7.703 5.895 110 HB2 CYS 19 HB2 CYS 19 47.366 5.656 7.629 111 HB3 CYS 19 HB1 CYS 19 47.295 7.347 8.125 112 HG CYS 19 HG CYS 19 44.578 6.132 7.326 113 H GLU 20 HN GLU 20 45.876 4.681 6.382 114 HA GLU 20 HA GLU 20 47.313 3.549 4.064 115 HB2 GLU 20 HB2 GLU 20 47.357 2.651 6.603 116 HB3 GLU 20 HB1 GLU 20 45.950 1.769 6.008 117 HG2 GLU 20 HG2 GLU 20 47.317 0.985 4.069 118 HG3 GLU 20 HG1 GLU 20 48.722 1.775 4.781 119 H TYR 21 HN TYR 21 44.501 4.955 4.550 120 HA TYR 21 HA TYR 21 42.304 4.643 3.877 121 HB2 TYR 21 HB2 TYR 21 42.221 4.126 1.433 122 HB3 TYR 21 HB1 TYR 21 43.388 5.378 1.858 123 HD1 TYR 21 HD1 TYR 21 45.793 4.951 1.785 124 HD2 TYR 21 HD2 TYR 21 42.961 1.900 0.729 125 HE1 TYR 21 HE1 TYR 21 47.615 3.612 0.769 126 HE2 TYR 21 HE2 TYR 21 44.783 0.560 -0.287 127 HH TYR 21 HH TYR 21 47.951 1.860 -0.802 128 H THR 22 HN THR 22 43.529 2.309 5.254 129 HA THR 22 HA THR 22 41.715 0.233 4.185 130 HB THR 22 HB THR 22 44.580 0.009 5.059 131 HG1 THR 22 HG1 THR 22 43.428 -1.570 3.108 132 HG21 THR 22 HG21 THR 22 44.046 -2.539 5.015 133 HG22 THR 22 HG22 THR 22 42.385 -2.035 5.328 134 HG23 THR 22 HG23 THR 22 43.662 -1.625 6.474 135 H ASP 23 HN ASP 23 43.265 1.725 6.962 136 HA ASP 23 HA ASP 23 41.489 0.207 8.767 137 HB2 ASP 23 HB2 ASP 23 43.031 0.593 10.504 138 HB3 ASP 23 HB1 ASP 23 44.033 0.225 9.102 139 H TRP 24 HN TRP 24 40.871 2.646 7.077 140 HA TRP 24 HA TRP 24 40.635 4.927 8.699 141 HB2 TRP 24 HB2 TRP 24 38.554 5.297 7.082 142 HB3 TRP 24 HB1 TRP 24 40.212 5.458 6.508 143 HD1 TRP 24 HD1 TRP 24 38.694 2.036 7.234 144 HE1 TRP 24 HE1 TRP 24 38.491 0.730 5.022 145 HE3 TRP 24 HE3 TRP 24 39.962 5.709 3.921 146 HZ2 TRP 24 HZ2 TRP 24 38.822 1.182 2.217 147 HZ3 TRP 24 HZ3 TRP 24 40.011 5.244 1.488 148 HH2 TRP 24 HH2 TRP 24 39.444 2.989 0.632 149 H LYS 25 HN LYS 25 39.313 1.972 9.270 150 HA LYS 25 HA LYS 25 37.600 2.913 11.324 151 HB2 LYS 25 HB2 LYS 25 35.448 2.090 10.390 152 HB3 LYS 25 HB1 LYS 25 36.081 3.498 9.542 153 HG2 LYS 25 HG2 LYS 25 36.358 2.348 7.608 154 HG3 LYS 25 HG1 LYS 25 37.027 0.942 8.436 155 HD2 LYS 25 HD2 LYS 25 34.866 0.103 8.978 156 HD3 LYS 25 HD1 LYS 25 34.088 1.622 8.535 157 HE2 LYS 25 HE2 LYS 25 34.098 1.127 6.311 158 HE3 LYS 25 HE1 LYS 25 35.694 0.382 6.386 159 HZ1 LYS 25 HZ1 LYS 25 33.892 -1.187 7.854 160 HZ2 LYS 25 HZ2 LYS 25 34.743 -1.598 6.443 161 HZ3 LYS 25 HZ3 LYS 25 33.207 -0.882 6.334 162 H SER 26 HN SER 26 39.710 1.061 11.101 163 HA SER 26 HA SER 26 38.386 -1.299 12.193 164 HB2 SER 26 HB2 SER 26 38.630 -1.801 9.781 165 HB3 SER 26 HB1 SER 26 40.362 -1.508 9.909 166 HG SER 26 HG SER 26 38.842 -3.656 10.737 167 H SER 27 HN SER 27 41.688 -0.883 10.978 168 HA SER 27 HA SER 27 43.720 -1.036 12.044 169 HB2 SER 27 HB2 SER 27 42.470 0.267 14.442 170 HB3 SER 27 HB1 SER 27 44.075 0.506 13.757 171 HG SER 27 HG SER 27 43.236 2.065 12.643 172 H GLY 28 HN GLY 28 42.001 -3.291 12.304 173 HA2 GLY 28 HA2 GLY 28 42.097 -5.325 13.399 174 HA3 GLY 28 HA1 GLY 28 43.292 -4.628 14.490 175 H ALA 29 HN ALA 29 40.660 -2.597 14.385 176 HA ALA 29 HA ALA 29 39.194 -1.999 16.072 177 HB1 ALA 29 HB1 ALA 29 38.406 -4.909 16.003 178 HB2 ALA 29 HB2 ALA 29 38.039 -3.811 14.671 179 HB3 ALA 29 HB3 ALA 29 37.379 -3.501 16.277 180 H LEU 30 HN LEU 30 41.489 -2.136 17.307 181 HA LEU 30 HA LEU 30 40.928 -3.647 19.784 182 HB2 LEU 30 HB2 LEU 30 43.502 -3.462 18.233 183 HB3 LEU 30 HB1 LEU 30 43.504 -3.787 19.967 184 HG LEU 30 HG LEU 30 41.615 -5.400 18.338 185 HD11 LEU 30 HD11 LEU 30 43.475 -6.983 17.733 186 HD12 LEU 30 HD12 LEU 30 44.626 -5.738 18.217 187 HD13 LEU 30 HD13 LEU 30 43.538 -5.452 16.859 188 HD21 LEU 30 HD21 LEU 30 42.095 -7.045 19.975 189 HD22 LEU 30 HD22 LEU 30 42.133 -5.527 20.871 190 HD23 LEU 30 HD23 LEU 30 43.640 -6.304 20.388 191 H ILE 31 HN ILE 31 42.163 -0.792 18.212 192 HA ILE 31 HA ILE 31 42.971 0.435 20.714 193 HB ILE 31 HB ILE 31 43.413 0.919 17.886 194 HG12 ILE 31 HG12 ILE 31 45.097 0.454 19.699 195 HG13 ILE 31 HG11 ILE 31 45.470 1.857 18.702 196 HG21 ILE 31 HG21 ILE 31 43.577 3.409 18.074 197 HG22 ILE 31 HG22 ILE 31 42.705 3.328 19.600 198 HG23 ILE 31 HG23 ILE 31 41.917 2.823 18.103 199 HD11 ILE 31 HD11 ILE 31 43.824 2.562 21.019 200 HD12 ILE 31 HD12 ILE 31 45.344 3.260 20.469 201 HD13 ILE 31 HD13 ILE 31 45.352 1.818 21.482 202 HA PRO 32 HA PRO 32 39.041 3.068 19.433 203 HB2 PRO 32 HB2 PRO 32 37.349 0.880 18.370 204 HB3 PRO 32 HB1 PRO 32 37.566 2.531 17.765 205 HG2 PRO 32 HG2 PRO 32 38.600 0.412 16.505 206 HG3 PRO 32 HG1 PRO 32 39.416 1.985 16.537 207 HD2 PRO 32 HD2 PRO 32 40.045 -0.497 18.091 208 HD3 PRO 32 HD1 PRO 32 41.147 0.722 17.417 209 H ALA 33 HN ALA 33 38.453 -0.381 20.149 210 HA ALA 33 HA ALA 33 36.359 -0.086 21.959 211 HB1 ALA 33 HB1 ALA 33 36.686 -2.300 21.464 212 HB2 ALA 33 HB2 ALA 33 37.563 -2.239 22.993 213 HB3 ALA 33 HB3 ALA 33 38.443 -2.153 21.468 214 H ILE 34 HN ILE 34 39.644 0.809 22.278 215 HA ILE 34 HA ILE 34 39.467 0.918 25.213 216 HB ILE 34 HB ILE 34 41.761 1.156 23.270 217 HG12 ILE 34 HG12 ILE 34 41.431 -0.611 25.704 218 HG13 ILE 34 HG11 ILE 34 40.842 -1.088 24.111 219 HG21 ILE 34 HG21 ILE 34 42.314 2.835 24.828 220 HG22 ILE 34 HG22 ILE 34 43.099 1.401 25.487 221 HG23 ILE 34 HG23 ILE 34 41.572 1.962 26.169 222 HD11 ILE 34 HD11 ILE 34 43.035 -1.056 23.179 223 HD12 ILE 34 HD12 ILE 34 43.196 -1.886 24.726 224 HD13 ILE 34 HD13 ILE 34 43.695 -0.201 24.574 225 H TYR 35 HN TYR 35 39.301 2.878 22.390 226 HA TYR 35 HA TYR 35 39.963 5.364 23.716 227 HB2 TYR 35 HB2 TYR 35 39.894 4.545 21.084 228 HB3 TYR 35 HB1 TYR 35 38.452 5.554 21.215 229 HD1 TYR 35 HD2 TYR 35 38.844 7.782 22.680 230 HD2 TYR 35 HD1 TYR 35 41.893 5.627 20.554 231 HE1 TYR 35 HE2 TYR 35 40.254 9.821 22.634 232 HE2 TYR 35 HE1 TYR 35 43.302 7.667 20.508 233 HH TYR 35 HH TYR 35 43.508 9.790 21.917 234 H MET 36 HN MET 36 37.011 3.790 22.510 235 HA MET 36 HA MET 36 35.272 5.875 23.430 236 HB2 MET 36 HB2 MET 36 34.741 3.029 22.558 237 HB3 MET 36 HB1 MET 36 33.475 4.193 22.948 238 HG2 MET 36 HG2 MET 36 34.308 5.709 21.202 239 HG3 MET 36 HG1 MET 36 35.604 4.577 20.821 240 HE1 MET 36 HE1 MET 36 35.355 2.309 20.323 241 HE2 MET 36 HE2 MET 36 34.170 1.646 19.200 242 HE3 MET 36 HE3 MET 36 33.865 1.576 20.934 243 H LEU 37 HN LEU 37 36.756 3.118 24.872 244 HA LEU 37 HA LEU 37 34.868 2.754 27.001 245 HB2 LEU 37 HB2 LEU 37 37.466 1.640 26.194 246 HB3 LEU 37 HB1 LEU 37 37.252 1.742 27.940 247 HG LEU 37 HG LEU 37 36.441 -0.421 26.937 248 HD11 LEU 37 HD11 LEU 37 33.892 0.476 27.878 249 HD12 LEU 37 HD12 LEU 37 35.141 1.298 28.813 250 HD13 LEU 37 HD13 LEU 37 35.107 -0.464 28.744 251 HD21 LEU 37 HD21 LEU 37 34.903 -0.477 25.261 252 HD22 LEU 37 HD22 LEU 37 35.406 1.188 24.972 253 HD23 LEU 37 HD23 LEU 37 33.973 0.857 25.944 254 H VAL 38 HN VAL 38 36.286 5.443 26.369 255 HA VAL 38 HA VAL 38 36.892 6.079 29.188 256 HB VAL 38 HB VAL 38 38.390 7.245 26.835 257 HG11 VAL 38 HG11 VAL 38 39.665 7.236 29.451 258 HG12 VAL 38 HG12 VAL 38 38.108 8.061 29.499 259 HG13 VAL 38 HG13 VAL 38 39.352 8.592 28.369 260 HG21 VAL 38 HG21 VAL 38 39.225 5.039 28.746 261 HG22 VAL 38 HG22 VAL 38 40.253 5.778 27.518 262 HG23 VAL 38 HG23 VAL 38 38.852 4.822 27.037 263 H PHE 39 HN PHE 39 35.565 6.979 26.107 264 HA PHE 39 HA PHE 39 34.959 9.702 26.802 265 HB2 PHE 39 HB2 PHE 39 34.415 7.878 24.525 266 HB3 PHE 39 HB1 PHE 39 33.269 9.196 24.769 267 HD1 PHE 39 HD1 PHE 39 34.391 11.551 25.306 268 HD2 PHE 39 HD2 PHE 39 36.333 8.311 23.258 269 HE1 PHE 39 HE1 PHE 39 35.999 13.149 24.300 270 HE2 PHE 39 HE2 PHE 39 37.940 9.909 22.254 271 HZ PHE 39 HZ PHE 39 37.773 12.328 22.775 272 H LEU 40 HN LEU 40 32.746 7.014 26.029 273 HA LEU 40 HA LEU 40 30.474 8.151 27.201 274 HB2 LEU 40 HB2 LEU 40 29.525 5.893 27.138 275 HB3 LEU 40 HB1 LEU 40 30.400 6.239 25.646 276 HG LEU 40 HG LEU 40 32.368 5.186 27.283 277 HD11 LEU 40 HD11 LEU 40 31.492 3.233 28.349 278 HD12 LEU 40 HD12 LEU 40 29.911 3.448 27.597 279 HD13 LEU 40 HD13 LEU 40 30.449 4.563 28.852 280 HD21 LEU 40 HD21 LEU 40 32.130 3.180 25.824 281 HD22 LEU 40 HD22 LEU 40 32.036 4.682 24.905 282 HD23 LEU 40 HD23 LEU 40 30.566 3.784 25.282 283 H LEU 41 HN LEU 41 33.262 7.187 28.712 284 HA LEU 41 HA LEU 41 32.093 6.101 31.122 285 HB2 LEU 41 HB2 LEU 41 34.212 5.231 30.809 286 HB3 LEU 41 HB1 LEU 41 34.840 6.723 30.122 287 HG LEU 41 HG LEU 41 34.954 7.753 32.327 288 HD11 LEU 41 HD11 LEU 41 33.311 7.053 33.759 289 HD12 LEU 41 HD12 LEU 41 34.489 5.823 34.208 290 HD13 LEU 41 HD13 LEU 41 33.231 5.448 33.033 291 HD21 LEU 41 HD21 LEU 41 36.508 5.637 31.460 292 HD22 LEU 41 HD22 LEU 41 36.081 5.163 33.105 293 HD23 LEU 41 HD23 LEU 41 36.893 6.701 32.813 294 H GLY 42 HN GLY 42 33.964 9.045 30.365 295 HA2 GLY 42 HA2 GLY 42 33.708 10.414 32.732 296 HA3 GLY 42 HA1 GLY 42 33.758 11.203 31.158 297 H THR 43 HN THR 43 31.292 10.007 30.193 298 HA THR 43 HA THR 43 29.168 10.692 32.003 299 HB THR 43 HB THR 43 29.948 12.953 31.365 300 HG1 THR 43 HG1 THR 43 27.926 13.669 30.821 301 HG21 THR 43 HG21 THR 43 30.367 11.776 28.879 302 HG22 THR 43 HG22 THR 43 30.468 13.500 29.239 303 HG23 THR 43 HG23 THR 43 28.965 12.815 28.621 304 H THR 44 HN THR 44 27.714 11.655 29.433 305 HA THR 44 HA THR 44 26.373 10.724 27.819 306 HB THR 44 HB THR 44 28.179 8.340 27.641 307 HG1 THR 44 HG1 THR 44 29.285 10.521 27.870 308 HG21 THR 44 HG21 THR 44 26.983 10.107 25.499 309 HG22 THR 44 HG22 THR 44 26.129 8.726 26.187 310 HG23 THR 44 HG23 THR 44 27.642 8.481 25.313 311 H GLY 45 HN GLY 45 27.691 7.815 29.415 312 HA2 GLY 45 HA2 GLY 45 24.922 6.933 29.916 313 HA3 GLY 45 HA1 GLY 45 26.331 5.880 29.837 314 H ASN 46 HN ASN 46 26.293 8.925 31.582 315 HA ASN 46 HA ASN 46 25.884 7.605 34.150 316 HB2 ASN 46 HB2 ASN 46 28.493 8.951 33.419 317 HB3 ASN 46 HB1 ASN 46 28.030 8.488 35.055 318 HD21 ASN 46 HD21 ASN 46 28.870 7.186 31.848 319 HD22 ASN 46 HD22 ASN 46 29.187 5.609 32.392 320 H GLY 47 HN GLY 47 24.494 8.895 35.158 321 HA2 GLY 47 HA2 GLY 47 23.826 10.848 36.270 322 HA3 GLY 47 HA1 GLY 47 25.045 11.749 35.374 323 H LEU 48 HN LEU 48 24.070 10.453 32.830 324 HA LEU 48 HA LEU 48 21.819 12.299 32.385 325 HB2 LEU 48 HB2 LEU 48 24.097 11.373 30.779 326 HB3 LEU 48 HB1 LEU 48 22.566 11.353 29.905 327 HG LEU 48 HG LEU 48 23.810 13.534 29.728 328 HD11 LEU 48 HD11 LEU 48 21.761 14.383 29.370 329 HD12 LEU 48 HD12 LEU 48 21.528 14.576 31.106 330 HD13 LEU 48 HD13 LEU 48 21.051 13.075 30.314 331 HD21 LEU 48 HD21 LEU 48 24.459 14.710 31.564 332 HD22 LEU 48 HD22 LEU 48 24.279 13.173 32.410 333 HD23 LEU 48 HD23 LEU 48 22.968 14.352 32.434 334 H VAL 49 HN VAL 49 22.583 8.988 32.690 335 HA VAL 49 HA VAL 49 20.485 7.944 31.026 336 HB VAL 49 HB VAL 49 22.334 6.792 33.093 337 HG11 VAL 49 HG11 VAL 49 19.806 5.595 31.971 338 HG12 VAL 49 HG12 VAL 49 20.402 5.563 33.632 339 HG13 VAL 49 HG13 VAL 49 21.171 4.564 32.398 340 HG21 VAL 49 HG21 VAL 49 22.656 7.215 30.455 341 HG22 VAL 49 HG22 VAL 49 21.854 5.646 30.382 342 HG23 VAL 49 HG23 VAL 49 23.364 5.822 31.275 343 H LEU 50 HN LEU 50 20.863 8.655 34.472 344 HA LEU 50 HA LEU 50 18.249 7.639 35.156 345 HB2 LEU 50 HB2 LEU 50 18.844 9.007 37.330 346 HB3 LEU 50 HB1 LEU 50 19.674 7.492 36.975 347 HG LEU 50 HG LEU 50 20.839 9.983 35.822 348 HD11 LEU 50 HD11 LEU 50 20.855 9.262 38.759 349 HD12 LEU 50 HD12 LEU 50 20.444 10.811 38.023 350 HD13 LEU 50 HD13 LEU 50 22.117 10.252 38.026 351 HD21 LEU 50 HD21 LEU 50 21.636 7.471 35.690 352 HD22 LEU 50 HD22 LEU 50 22.283 7.798 37.297 353 HD23 LEU 50 HD23 LEU 50 22.825 8.754 35.918 354 H TRP 51 HN TRP 51 19.330 10.396 33.621 355 HA TRP 51 HA TRP 51 17.511 12.311 34.767 356 HB2 TRP 51 HB2 TRP 51 19.206 13.482 33.789 357 HB3 TRP 51 HB1 TRP 51 19.482 12.253 32.555 358 HD1 TRP 51 HD1 TRP 51 17.865 12.267 30.414 359 HE1 TRP 51 HE1 TRP 51 16.492 14.168 29.341 360 HE3 TRP 51 HE3 TRP 51 17.864 15.631 34.256 361 HZ2 TRP 51 HZ2 TRP 51 15.523 16.771 30.023 362 HZ3 TRP 51 HZ3 TRP 51 16.710 17.811 34.018 363 HH2 TRP 51 HH2 TRP 51 15.541 18.385 31.908 364 H THR 52 HN THR 52 17.613 10.419 31.752 365 HA THR 52 HA THR 52 15.292 11.344 30.549 366 HB THR 52 HB THR 52 17.064 9.586 29.754 367 HG1 THR 52 HG1 THR 52 15.685 9.949 28.211 368 HG21 THR 52 HG21 THR 52 16.250 8.044 31.690 369 HG22 THR 52 HG22 THR 52 16.560 7.324 30.111 370 HG23 THR 52 HG23 THR 52 14.905 7.673 30.611 371 H VAL 53 HN VAL 53 15.679 9.301 33.329 372 HA VAL 53 HA VAL 53 13.093 8.118 33.344 373 HB VAL 53 HB VAL 53 15.010 8.688 35.619 374 HG11 VAL 53 HG11 VAL 53 12.856 8.329 36.584 375 HG12 VAL 53 HG12 VAL 53 13.684 6.775 36.680 376 HG13 VAL 53 HG13 VAL 53 12.472 7.052 35.428 377 HG21 VAL 53 HG21 VAL 53 14.493 6.208 33.946 378 HG22 VAL 53 HG22 VAL 53 15.582 6.291 35.330 379 HG23 VAL 53 HG23 VAL 53 15.936 7.219 33.873 380 H PHE 54 HN PHE 54 14.079 10.194 36.004 381 HA PHE 54 HA PHE 54 11.646 11.145 36.747 382 HB2 PHE 54 HB2 PHE 54 13.066 12.088 38.212 383 HB3 PHE 54 HB1 PHE 54 14.397 12.049 37.054 384 HD1 PHE 54 HD1 PHE 54 11.340 13.949 38.029 385 HD2 PHE 54 HD2 PHE 54 15.055 13.998 35.872 386 HE1 PHE 54 HE1 PHE 54 11.090 16.388 37.656 387 HE2 PHE 54 HE2 PHE 54 14.804 16.437 35.499 388 HZ PHE 54 HZ PHE 54 12.822 17.632 36.390 389 H ARG 55 HN ARG 55 13.350 11.935 33.855 390 HA ARG 55 HA ARG 55 11.943 14.386 33.309 391 HB2 ARG 55 HB2 ARG 55 14.218 13.859 32.406 392 HB3 ARG 55 HB1 ARG 55 13.488 12.602 31.412 393 HG2 ARG 55 HG2 ARG 55 13.735 14.625 30.079 394 HG3 ARG 55 HG1 ARG 55 12.023 14.322 30.360 395 HD2 ARG 55 HD2 ARG 55 13.422 16.034 32.357 396 HD3 ARG 55 HD1 ARG 55 13.151 16.733 30.764 397 HE ARG 55 HE ARG 55 10.715 15.706 31.396 398 HH11 ARG 55 HH21 ARG 55 12.993 17.724 33.044 399 HH12 ARG 55 HH22 ARG 55 11.788 18.594 33.934 400 HH21 ARG 55 HH11 ARG 55 9.129 16.842 32.559 401 HH22 ARG 55 HH12 ARG 55 9.601 18.094 33.660 402 H LYS 56 HN LYS 56 12.028 11.417 31.346 403 HA LYS 56 HA LYS 56 9.629 11.876 30.000 404 HB2 LYS 56 HB2 LYS 56 9.789 9.656 29.214 405 HB3 LYS 56 HB1 LYS 56 11.459 10.141 29.505 406 HG2 LYS 56 HG2 LYS 56 11.126 9.139 31.870 407 HG3 LYS 56 HG1 LYS 56 9.709 8.346 31.181 408 HD2 LYS 56 HD2 LYS 56 11.267 7.516 29.321 409 HD3 LYS 56 HD1 LYS 56 12.600 8.034 30.354 410 HE2 LYS 56 HE2 LYS 56 12.110 5.656 30.730 411 HE3 LYS 56 HE1 LYS 56 11.732 6.594 32.175 412 HZ1 LYS 56 HZ1 LYS 56 9.611 6.203 30.199 413 HZ2 LYS 56 HZ2 LYS 56 9.509 6.324 31.890 414 HZ3 LYS 56 HZ3 LYS 56 10.037 4.879 31.170 415 H LYS 57 HN LYS 57 10.190 10.746 33.215 416 HA LYS 57 HA LYS 57 7.689 9.410 33.595 417 HB2 LYS 57 HB2 LYS 57 9.591 10.627 35.614 418 HB3 LYS 57 HB1 LYS 57 8.249 9.547 35.995 419 HG2 LYS 57 HG2 LYS 57 10.116 8.573 33.910 420 HG3 LYS 57 HG1 LYS 57 10.783 8.678 35.538 421 HD2 LYS 57 HD2 LYS 57 8.097 7.399 35.069 422 HD3 LYS 57 HD1 LYS 57 9.583 6.477 34.834 423 HE2 LYS 57 HE2 LYS 57 10.056 6.416 37.068 424 HE3 LYS 57 HE1 LYS 57 9.434 8.042 37.348 425 HZ1 LYS 57 HZ1 LYS 57 7.185 6.817 36.756 426 HZ2 LYS 57 HZ2 LYS 57 7.798 6.861 38.339 427 HZ3 LYS 57 HZ3 LYS 57 8.032 5.484 37.372 428 H GLY 58 HN GLY 58 7.225 11.858 32.315 429 HA2 GLY 58 HA2 GLY 58 5.365 13.063 34.209 430 HA3 GLY 58 HA1 GLY 58 6.612 14.135 33.577 431 H HIS 59 HN HIS 59 4.369 11.663 32.296 432 HA HIS 59 HA HIS 59 3.962 13.340 29.914 433 HB2 HIS 59 HB2 HIS 59 3.662 10.437 30.528 434 HB3 HIS 59 HB1 HIS 59 2.606 11.134 29.298 435 HD2 HIS 59 HD2 HIS 59 6.377 12.256 29.711 436 HE1 HIS 59 HE1 HIS 59 5.934 10.366 25.962 437 HE2 HIS 59 HE2 HIS 59 7.539 11.651 27.453 438 H HIS 60 HN HIS 60 1.901 11.250 31.950 439 HA HIS 60 HA HIS 60 -0.352 11.418 32.442 440 HB2 HIS 60 HB2 HIS 60 0.936 13.139 33.922 441 HB3 HIS 60 HB1 HIS 60 0.151 14.342 32.900 442 HD2 HIS 60 HD2 HIS 60 -1.915 15.164 34.583 443 HE1 HIS 60 HE1 HIS 60 -3.475 11.337 35.444 444 HE2 HIS 60 HE2 HIS 60 -3.838 13.833 35.743 445 H HIS 61 HN HIS 61 -2.215 13.392 32.213 446 HA HIS 61 HA HIS 61 -2.197 14.278 29.414 447 HB2 HIS 61 HB2 HIS 61 -4.112 12.324 30.643 448 HB3 HIS 61 HB1 HIS 61 -4.675 13.423 29.385 449 HD2 HIS 61 HD2 HIS 61 -1.755 10.730 29.743 450 HE1 HIS 61 HE1 HIS 61 -2.849 11.070 25.678 451 HE2 HIS 61 HE2 HIS 61 -1.366 9.826 27.323 452 H HIS 62 HN HIS 62 -4.114 15.711 28.963 453 HA HIS 62 HA HIS 62 -4.201 17.852 30.758 454 HB2 HIS 62 HB2 HIS 62 -5.405 17.161 28.231 455 HB3 HIS 62 HB1 HIS 62 -6.597 17.931 29.278 456 HD2 HIS 62 HD2 HIS 62 -3.394 18.878 27.284 457 HE1 HIS 62 HE1 HIS 62 -4.608 22.313 29.418 458 HE2 HIS 62 HE2 HIS 62 -3.029 21.440 27.630 459 H HIS 63 HN HIS 63 -6.336 18.731 31.670 460 HA HIS 63 HA HIS 63 -7.199 17.098 33.766 461 HB2 HIS 63 HB2 HIS 63 -8.683 18.823 34.326 462 HB3 HIS 63 HB1 HIS 63 -7.403 19.666 33.453 463 HD2 HIS 63 HD2 HIS 63 -8.368 19.118 30.366 464 HE1 HIS 63 HE1 HIS 63 -12.074 20.733 31.585 465 HE2 HIS 63 HE2 HIS 63 -10.631 20.155 29.577 466 H HIS 64 HN HIS 64 -9.556 16.518 34.154 467 HA HIS 64 HA HIS 64 -10.381 14.467 32.523 468 HB2 HIS 64 HB2 HIS 64 -11.387 14.649 34.663 469 HB3 HIS 64 HB1 HIS 64 -11.968 16.282 34.337 470 HD2 HIS 64 HD2 HIS 64 -14.599 16.284 33.519 471 HE1 HIS 64 HE1 HIS 64 -14.776 12.344 32.016 472 HE2 HIS 64 HE2 HIS 64 -16.120 14.456 32.441 Start of MODEL 31 1 H1 MET 1 HT1 MET 1 25.687 -48.554 -4.307 2 H2 MET 1 HT2 MET 1 27.067 -48.829 -5.259 3 H3 MET 1 HT3 MET 1 25.718 -49.851 -5.399 4 HA MET 1 HA MET 1 25.291 -48.572 -7.191 5 HB2 MET 1 HB2 MET 1 24.351 -46.702 -4.998 6 HB3 MET 1 HB1 MET 1 23.687 -46.842 -6.626 7 HG2 MET 1 HG2 MET 1 22.289 -48.439 -5.885 8 HG3 MET 1 HG1 MET 1 23.683 -49.453 -5.518 9 HE1 MET 1 HE1 MET 1 20.714 -49.279 -3.421 10 HE2 MET 1 HE2 MET 1 21.892 -50.174 -2.466 11 HE3 MET 1 HE3 MET 1 21.864 -50.363 -4.217 12 H GLU 2 HN GLU 2 25.018 -45.737 -7.373 13 HA GLU 2 HA GLU 2 27.579 -44.537 -6.753 14 HB2 GLU 2 HB2 GLU 2 27.864 -44.008 -9.299 15 HB3 GLU 2 HB1 GLU 2 28.424 -45.558 -8.669 16 HG2 GLU 2 HG2 GLU 2 25.600 -45.318 -9.649 17 HG3 GLU 2 HG1 GLU 2 26.905 -45.486 -10.823 18 H GLU 3 HN GLU 3 26.391 -42.925 -5.738 19 HA GLU 3 HA GLU 3 24.411 -41.440 -7.302 20 HB2 GLU 3 HB2 GLU 3 25.260 -41.361 -4.408 21 HB3 GLU 3 HB1 GLU 3 24.182 -40.155 -5.108 22 HG2 GLU 3 HG2 GLU 3 22.907 -41.991 -4.053 23 HG3 GLU 3 HG1 GLU 3 22.619 -41.925 -5.790 24 H GLY 4 HN GLY 4 27.015 -41.261 -8.306 25 HA2 GLY 4 HA2 GLY 4 27.471 -38.762 -9.038 26 HA3 GLY 4 HA1 GLY 4 28.096 -38.698 -7.393 27 H GLY 5 HN GLY 5 29.540 -40.778 -6.928 28 HA2 GLY 5 HA2 GLY 5 31.626 -41.690 -7.277 29 HA3 GLY 5 HA1 GLY 5 31.023 -42.050 -8.892 30 H ASP 6 HN ASP 6 33.196 -41.682 -9.661 31 HA ASP 6 HA ASP 6 34.949 -40.410 -10.464 32 HB2 ASP 6 HB2 ASP 6 34.221 -39.049 -12.132 33 HB3 ASP 6 HB1 ASP 6 32.644 -39.713 -11.704 34 H PHE 7 HN PHE 7 35.529 -37.777 -10.589 35 HA PHE 7 HA PHE 7 36.529 -37.160 -8.061 36 HB2 PHE 7 HB2 PHE 7 35.882 -34.934 -9.944 37 HB3 PHE 7 HB1 PHE 7 37.354 -35.232 -9.019 38 HD1 PHE 7 HD2 PHE 7 38.009 -38.003 -9.678 39 HD2 PHE 7 HD1 PHE 7 36.521 -34.865 -12.205 40 HE1 PHE 7 HE2 PHE 7 39.030 -39.108 -11.650 41 HE2 PHE 7 HE1 PHE 7 37.541 -35.970 -14.178 42 HZ PHE 7 HZ PHE 7 38.795 -38.092 -13.900 43 H ASP 8 HN ASP 8 35.996 -34.857 -7.070 44 HA ASP 8 HA ASP 8 33.082 -34.510 -6.847 45 HB2 ASP 8 HB2 ASP 8 34.193 -35.998 -4.989 46 HB3 ASP 8 HB1 ASP 8 34.750 -34.450 -4.359 47 H ASN 9 HN ASN 9 34.567 -32.828 -8.327 48 HA ASN 9 HA ASN 9 35.274 -30.652 -8.580 49 HB2 ASN 9 HB2 ASN 9 32.807 -30.571 -7.660 50 HB3 ASN 9 HB1 ASN 9 33.585 -29.899 -6.228 51 HD21 ASN 9 HD21 ASN 9 33.762 -27.661 -6.287 52 HD22 ASN 9 HD22 ASN 9 33.875 -26.728 -7.700 53 H TYR 10 HN TYR 10 36.987 -32.227 -6.997 54 HA TYR 10 HA TYR 10 37.766 -31.334 -4.528 55 HB2 TYR 10 HB2 TYR 10 39.191 -32.485 -6.858 56 HB3 TYR 10 HB1 TYR 10 40.196 -31.687 -5.649 57 HD1 TYR 10 HD1 TYR 10 37.542 -34.271 -6.088 58 HD2 TYR 10 HD2 TYR 10 40.651 -32.717 -3.564 59 HE1 TYR 10 HE1 TYR 10 37.320 -36.243 -4.600 60 HE2 TYR 10 HE2 TYR 10 40.429 -34.690 -2.077 61 HH TYR 10 HH TYR 10 37.921 -36.598 -1.918 62 H TYR 11 HN TYR 11 39.882 -30.306 -7.133 63 HA TYR 11 HA TYR 11 40.698 -27.938 -5.925 64 HB2 TYR 11 HB2 TYR 11 40.535 -28.248 -8.917 65 HB3 TYR 11 HB1 TYR 11 41.754 -27.401 -7.964 66 HD1 TYR 11 HD2 TYR 11 43.202 -28.804 -6.354 67 HD2 TYR 11 HD1 TYR 11 40.844 -30.507 -9.515 68 HE1 TYR 11 HE2 TYR 11 44.569 -30.871 -6.258 69 HE2 TYR 11 HE1 TYR 11 42.211 -32.574 -9.419 70 HH TYR 11 HH TYR 11 45.159 -32.750 -7.699 71 H GLY 12 HN GLY 12 40.406 -25.822 -7.564 72 HA2 GLY 12 HA2 GLY 12 38.922 -24.241 -8.437 73 HA3 GLY 12 HA1 GLY 12 37.596 -25.367 -8.163 74 H ALA 13 HN ALA 13 39.344 -22.687 -6.934 75 HA ALA 13 HA ALA 13 37.433 -22.437 -4.734 76 HB1 ALA 13 HB1 ALA 13 40.403 -22.190 -4.229 77 HB2 ALA 13 HB2 ALA 13 39.472 -23.639 -3.852 78 HB3 ALA 13 HB3 ALA 13 39.101 -22.118 -3.041 79 H ASP 14 HN ASP 14 37.271 -20.949 -6.943 80 HA ASP 14 HA ASP 14 38.711 -18.434 -6.441 81 HB2 ASP 14 HB2 ASP 14 38.029 -17.775 -8.657 82 HB3 ASP 14 HB1 ASP 14 38.680 -19.411 -8.749 83 H ASN 15 HN ASN 15 36.956 -18.845 -4.464 84 HA ASN 15 HA ASN 15 34.975 -16.757 -4.939 85 HB2 ASN 15 HB2 ASN 15 34.223 -19.533 -3.999 86 HB3 ASN 15 HB1 ASN 15 33.153 -18.133 -3.951 87 HD21 ASN 15 HD21 ASN 15 34.047 -20.767 -5.873 88 HD22 ASN 15 HD22 ASN 15 33.466 -20.197 -7.362 89 H GLN 16 HN GLN 16 37.290 -16.592 -3.448 90 HA GLN 16 HA GLN 16 36.855 -17.200 -0.682 91 HB2 GLN 16 HB2 GLN 16 38.798 -15.528 -0.407 92 HB3 GLN 16 HB1 GLN 16 39.118 -17.011 -1.308 93 HG2 GLN 16 HG2 GLN 16 38.101 -14.706 -2.884 94 HG3 GLN 16 HG1 GLN 16 39.744 -14.563 -2.260 95 HE21 GLN 16 HE21 GLN 16 38.206 -15.465 -5.001 96 HE22 GLN 16 HE22 GLN 16 39.245 -16.692 -5.544 97 H SER 17 HN SER 17 34.551 -16.096 -1.192 98 HA SER 17 HA SER 17 34.613 -13.219 -0.711 99 HB2 SER 17 HB2 SER 17 32.963 -14.422 -2.267 100 HB3 SER 17 HB1 SER 17 32.157 -14.965 -0.798 101 HG SER 17 HG SER 17 32.798 -12.252 -1.311 102 H GLU 18 HN GLU 18 32.412 -12.834 0.864 103 HA GLU 18 HA GLU 18 32.008 -12.481 3.115 104 HB2 GLU 18 HB2 GLU 18 30.998 -14.782 2.455 105 HB3 GLU 18 HB1 GLU 18 32.322 -15.459 3.404 106 HG2 GLU 18 HG2 GLU 18 31.437 -13.551 5.119 107 HG3 GLU 18 HG1 GLU 18 29.928 -13.953 4.300 108 H CYS 19 HN CYS 19 34.376 -11.620 3.013 109 HA CYS 19 HA CYS 19 35.905 -13.016 5.126 110 HB2 CYS 19 HB2 CYS 19 37.958 -12.018 3.953 111 HB3 CYS 19 HB1 CYS 19 37.194 -13.409 3.184 112 HG CYS 19 HG CYS 19 37.000 -11.939 1.199 113 H GLU 20 HN GLU 20 34.058 -11.105 5.749 114 HA GLU 20 HA GLU 20 35.732 -9.051 6.926 115 HB2 GLU 20 HB2 GLU 20 33.529 -8.365 4.962 116 HB3 GLU 20 HB1 GLU 20 34.245 -7.205 6.081 117 HG2 GLU 20 HG2 GLU 20 36.513 -7.882 5.074 118 HG3 GLU 20 HG1 GLU 20 35.581 -8.660 3.795 119 H TYR 21 HN TYR 21 32.514 -8.078 6.594 120 HA TYR 21 HA TYR 21 30.947 -7.726 8.263 121 HB2 TYR 21 HB2 TYR 21 29.821 -9.827 8.874 122 HB3 TYR 21 HB1 TYR 21 30.211 -9.781 7.155 123 HD1 TYR 21 HD1 TYR 21 32.035 -11.148 6.233 124 HD2 TYR 21 HD2 TYR 21 30.965 -11.357 10.387 125 HE1 TYR 21 HE1 TYR 21 33.335 -13.247 6.463 126 HE2 TYR 21 HE2 TYR 21 32.265 -13.454 10.618 127 HH TYR 21 HH TYR 21 33.928 -14.902 7.813 128 H THR 22 HN THR 22 33.805 -7.852 9.173 129 HA THR 22 HA THR 22 33.210 -8.134 12.028 130 HB THR 22 HB THR 22 35.233 -9.723 10.490 131 HG1 THR 22 HG1 THR 22 33.668 -10.996 11.144 132 HG21 THR 22 HG21 THR 22 36.729 -8.665 11.976 133 HG22 THR 22 HG22 THR 22 36.281 -10.144 12.824 134 HG23 THR 22 HG23 THR 22 35.539 -8.610 13.277 135 H ASP 23 HN ASP 23 35.382 -7.060 9.465 136 HA ASP 23 HA ASP 23 36.607 -5.121 11.323 137 HB2 ASP 23 HB2 ASP 23 37.973 -6.767 9.824 138 HB3 ASP 23 HB1 ASP 23 37.586 -5.630 8.534 139 H TRP 24 HN TRP 24 33.933 -5.067 9.781 140 HA TRP 24 HA TRP 24 33.814 -3.308 7.718 141 HB2 TRP 24 HB2 TRP 24 31.745 -2.342 9.143 142 HB3 TRP 24 HB1 TRP 24 31.698 -3.898 8.322 143 HD1 TRP 24 HD1 TRP 24 33.676 -3.282 11.550 144 HE1 TRP 24 HE1 TRP 24 32.683 -4.760 13.413 145 HE3 TRP 24 HE3 TRP 24 29.610 -5.169 9.104 146 HZ2 TRP 24 HZ2 TRP 24 30.459 -6.514 13.812 147 HZ3 TRP 24 HZ3 TRP 24 28.074 -6.741 10.247 148 HH2 TRP 24 HH2 TRP 24 28.493 -7.415 12.597 149 H LYS 25 HN LYS 25 32.820 -1.733 10.670 150 HA LYS 25 HA LYS 25 34.651 0.492 10.036 151 HB2 LYS 25 HB2 LYS 25 32.997 1.698 11.681 152 HB3 LYS 25 HB1 LYS 25 32.522 1.412 10.009 153 HG2 LYS 25 HG2 LYS 25 30.729 0.767 11.598 154 HG3 LYS 25 HG1 LYS 25 31.310 -0.617 10.675 155 HD2 LYS 25 HD2 LYS 25 32.541 -1.468 12.509 156 HD3 LYS 25 HD1 LYS 25 32.472 0.067 13.375 157 HE2 LYS 25 HE2 LYS 25 30.018 -1.584 12.731 158 HE3 LYS 25 HE1 LYS 25 30.898 -1.713 14.253 159 HZ1 LYS 25 HZ1 LYS 25 30.604 0.879 14.198 160 HZ2 LYS 25 HZ2 LYS 25 29.380 -0.133 14.801 161 HZ3 LYS 25 HZ3 LYS 25 29.270 0.491 13.225 162 H SER 26 HN SER 26 35.078 -2.053 11.708 163 HA SER 26 HA SER 26 35.516 -0.986 14.378 164 HB2 SER 26 HB2 SER 26 35.769 -3.159 15.039 165 HB3 SER 26 HB1 SER 26 34.904 -3.467 13.538 166 HG SER 26 HG SER 26 37.030 -3.580 12.542 167 H SER 27 HN SER 27 37.220 -1.170 11.437 168 HA SER 27 HA SER 27 39.397 -0.731 10.841 169 HB2 SER 27 HB2 SER 27 39.151 0.786 13.436 170 HB3 SER 27 HB1 SER 27 40.614 0.833 12.456 171 HG SER 27 HG SER 27 37.995 1.435 11.529 172 H GLY 28 HN GLY 28 38.890 -3.214 12.190 173 HA2 GLY 28 HA2 GLY 28 40.256 -4.997 12.793 174 HA3 GLY 28 HA1 GLY 28 41.607 -3.874 12.936 175 H ALA 29 HN ALA 29 39.134 -2.507 14.606 176 HA ALA 29 HA ALA 29 38.911 -2.079 16.865 177 HB1 ALA 29 HB1 ALA 29 38.866 -5.107 16.882 178 HB2 ALA 29 HB2 ALA 29 37.483 -4.059 16.573 179 HB3 ALA 29 HB3 ALA 29 38.248 -4.062 18.161 180 H LEU 30 HN LEU 30 41.372 -1.488 16.509 181 HA LEU 30 HA LEU 30 42.843 -2.848 18.672 182 HB2 LEU 30 HB2 LEU 30 43.836 -2.215 15.896 183 HB3 LEU 30 HB1 LEU 30 44.938 -2.441 17.254 184 HG LEU 30 HG LEU 30 42.866 -4.525 17.017 185 HD11 LEU 30 HD11 LEU 30 44.936 -4.071 14.858 186 HD12 LEU 30 HD12 LEU 30 43.200 -4.305 14.660 187 HD13 LEU 30 HD13 LEU 30 44.219 -5.653 15.163 188 HD21 LEU 30 HD21 LEU 30 45.883 -4.756 17.118 189 HD22 LEU 30 HD22 LEU 30 44.688 -5.940 17.649 190 HD23 LEU 30 HD23 LEU 30 44.910 -4.443 18.555 191 H ILE 31 HN ILE 31 41.371 -0.531 18.976 192 HA ILE 31 HA ILE 31 43.028 1.201 20.293 193 HB ILE 31 HB ILE 31 43.254 1.629 17.434 194 HG12 ILE 31 HG12 ILE 31 45.068 1.585 19.199 195 HG13 ILE 31 HG11 ILE 31 45.141 2.966 18.110 196 HG21 ILE 31 HG21 ILE 31 42.982 4.101 17.457 197 HG22 ILE 31 HG22 ILE 31 42.225 3.998 19.041 198 HG23 ILE 31 HG23 ILE 31 41.448 3.261 17.641 199 HD11 ILE 31 HD11 ILE 31 45.146 3.087 20.880 200 HD12 ILE 31 HD12 ILE 31 43.476 3.474 20.470 201 HD13 ILE 31 HD13 ILE 31 44.793 4.431 19.797 202 HA PRO 32 HA PRO 32 38.744 3.273 19.343 203 HB2 PRO 32 HB2 PRO 32 37.192 1.066 18.170 204 HB3 PRO 32 HB1 PRO 32 37.364 2.739 17.610 205 HG2 PRO 32 HG2 PRO 32 38.462 0.656 16.313 206 HG3 PRO 32 HG1 PRO 32 39.203 2.266 16.342 207 HD2 PRO 32 HD2 PRO 32 39.942 -0.179 17.915 208 HD3 PRO 32 HD1 PRO 32 40.999 1.045 17.177 209 H ALA 33 HN ALA 33 39.319 0.024 20.369 210 HA ALA 33 HA ALA 33 36.967 -0.327 21.956 211 HB1 ALA 33 HB1 ALA 33 38.496 -2.088 23.094 212 HB2 ALA 33 HB2 ALA 33 39.644 -1.691 21.815 213 HB3 ALA 33 HB3 ALA 33 38.053 -2.331 21.405 214 H ILE 34 HN ILE 34 40.112 1.118 22.475 215 HA ILE 34 HA ILE 34 39.700 1.379 25.346 216 HB ILE 34 HB ILE 34 41.888 2.490 23.572 217 HG12 ILE 34 HG12 ILE 34 42.921 0.469 25.174 218 HG13 ILE 34 HG11 ILE 34 41.351 -0.167 24.685 219 HG21 ILE 34 HG21 ILE 34 41.464 2.350 26.559 220 HG22 ILE 34 HG22 ILE 34 41.879 3.755 25.578 221 HG23 ILE 34 HG23 ILE 34 43.078 2.494 25.863 222 HD11 ILE 34 HD11 ILE 34 41.899 0.307 22.321 223 HD12 ILE 34 HD12 ILE 34 43.083 -0.782 23.045 224 HD13 ILE 34 HD13 ILE 34 43.477 0.922 22.816 225 H TYR 35 HN TYR 35 39.424 3.304 22.435 226 HA TYR 35 HA TYR 35 39.317 5.867 23.602 227 HB2 TYR 35 HB2 TYR 35 39.158 4.848 21.036 228 HB3 TYR 35 HB1 TYR 35 37.546 5.514 21.302 229 HD1 TYR 35 HD2 TYR 35 37.358 7.906 22.207 230 HD2 TYR 35 HD1 TYR 35 40.994 6.272 20.604 231 HE1 TYR 35 HE2 TYR 35 38.248 10.199 21.888 232 HE2 TYR 35 HE1 TYR 35 41.884 8.565 20.285 233 HH TYR 35 HH TYR 35 41.347 10.929 21.500 234 H MET 36 HN MET 36 36.736 3.548 22.819 235 HA MET 36 HA MET 36 34.609 5.174 23.778 236 HB2 MET 36 HB2 MET 36 34.779 2.172 23.423 237 HB3 MET 36 HB1 MET 36 33.293 3.075 23.717 238 HG2 MET 36 HG2 MET 36 34.679 4.348 21.570 239 HG3 MET 36 HG1 MET 36 34.612 2.620 21.223 240 HE1 MET 36 HE1 MET 36 31.399 5.703 20.885 241 HE2 MET 36 HE2 MET 36 33.098 5.689 20.418 242 HE3 MET 36 HE3 MET 36 32.660 5.836 22.119 243 H LEU 37 HN LEU 37 36.402 2.458 25.225 244 HA LEU 37 HA LEU 37 35.071 2.256 27.643 245 HB2 LEU 37 HB2 LEU 37 37.746 1.575 26.632 246 HB3 LEU 37 HB1 LEU 37 37.692 1.847 28.372 247 HG LEU 37 HG LEU 37 37.249 -0.539 27.696 248 HD11 LEU 37 HD11 LEU 37 36.144 -0.620 29.651 249 HD12 LEU 37 HD12 LEU 37 34.679 -0.046 28.854 250 HD13 LEU 37 HD13 LEU 37 35.820 1.110 29.541 251 HD21 LEU 37 HD21 LEU 37 34.482 0.111 26.893 252 HD22 LEU 37 HD22 LEU 37 35.588 -1.098 26.243 253 HD23 LEU 37 HD23 LEU 37 35.714 0.581 25.722 254 H VAL 38 HN VAL 38 36.886 4.875 26.447 255 HA VAL 38 HA VAL 38 37.272 6.005 29.142 256 HB VAL 38 HB VAL 38 38.390 6.859 26.462 257 HG11 VAL 38 HG11 VAL 38 38.265 8.146 29.116 258 HG12 VAL 38 HG12 VAL 38 38.552 8.863 27.532 259 HG13 VAL 38 HG13 VAL 38 39.877 8.092 28.404 260 HG21 VAL 38 HG21 VAL 38 40.395 5.842 27.112 261 HG22 VAL 38 HG22 VAL 38 39.199 4.705 27.734 262 HG23 VAL 38 HG23 VAL 38 39.964 5.862 28.823 263 H PHE 39 HN PHE 39 35.474 6.352 26.191 264 HA PHE 39 HA PHE 39 34.594 9.047 26.679 265 HB2 PHE 39 HB2 PHE 39 34.598 7.413 24.485 266 HB3 PHE 39 HB1 PHE 39 32.905 7.343 24.972 267 HD1 PHE 39 HD1 PHE 39 35.690 9.772 24.372 268 HD2 PHE 39 HD2 PHE 39 31.448 9.099 24.419 269 HE1 PHE 39 HE1 PHE 39 35.321 12.031 23.415 270 HE2 PHE 39 HE2 PHE 39 31.079 11.358 23.463 271 HZ PHE 39 HZ PHE 39 33.015 12.823 22.961 272 H LEU 40 HN LEU 40 32.716 6.011 26.535 273 HA LEU 40 HA LEU 40 30.468 7.030 27.883 274 HB2 LEU 40 HB2 LEU 40 29.828 4.659 28.186 275 HB3 LEU 40 HB1 LEU 40 30.358 4.994 26.538 276 HG LEU 40 HG LEU 40 32.724 4.324 27.792 277 HD11 LEU 40 HD11 LEU 40 31.482 3.620 29.812 278 HD12 LEU 40 HD12 LEU 40 32.256 2.244 29.027 279 HD13 LEU 40 HD13 LEU 40 30.524 2.512 28.832 280 HD21 LEU 40 HD21 LEU 40 31.952 3.565 25.578 281 HD22 LEU 40 HD22 LEU 40 30.770 2.505 26.346 282 HD23 LEU 40 HD23 LEU 40 32.495 2.195 26.547 283 H LEU 41 HN LEU 41 33.497 6.666 29.093 284 HA LEU 41 HA LEU 41 33.046 5.474 31.628 285 HB2 LEU 41 HB2 LEU 41 35.246 6.453 30.238 286 HB3 LEU 41 HB1 LEU 41 35.108 7.531 31.628 287 HG LEU 41 HG LEU 41 35.191 4.501 31.735 288 HD11 LEU 41 HD11 LEU 41 37.425 4.798 31.715 289 HD12 LEU 41 HD12 LEU 41 37.263 5.662 33.245 290 HD13 LEU 41 HD13 LEU 41 37.241 6.552 31.723 291 HD21 LEU 41 HD21 LEU 41 34.448 6.602 33.679 292 HD22 LEU 41 HD22 LEU 41 35.611 5.420 34.279 293 HD23 LEU 41 HD23 LEU 41 34.044 4.885 33.669 294 H GLY 42 HN GLY 42 33.047 8.855 30.528 295 HA2 GLY 42 HA2 GLY 42 31.170 9.588 32.601 296 HA3 GLY 42 HA1 GLY 42 32.778 10.271 32.830 297 H THR 43 HN THR 43 30.944 9.680 29.840 298 HA THR 43 HA THR 43 31.352 12.507 29.120 299 HB THR 43 HB THR 43 32.180 10.805 27.528 300 HG1 THR 43 HG1 THR 43 31.659 12.403 26.278 301 HG21 THR 43 HG21 THR 43 30.885 9.104 26.699 302 HG22 THR 43 HG22 THR 43 29.401 10.053 26.781 303 HG23 THR 43 HG23 THR 43 30.057 9.317 28.242 304 H THR 44 HN THR 44 28.897 10.079 29.691 305 HA THR 44 HA THR 44 26.849 12.193 29.555 306 HB THR 44 HB THR 44 25.312 10.362 28.584 307 HG1 THR 44 HG1 THR 44 26.257 8.556 28.169 308 HG21 THR 44 HG21 THR 44 27.462 11.892 27.167 309 HG22 THR 44 HG22 THR 44 25.713 12.116 27.120 310 HG23 THR 44 HG23 THR 44 26.456 10.782 26.236 311 H GLY 45 HN GLY 45 26.295 8.751 29.953 312 HA2 GLY 45 HA2 GLY 45 26.027 9.054 32.861 313 HA3 GLY 45 HA1 GLY 45 24.603 8.564 31.948 314 H ASN 46 HN ASN 46 24.941 6.632 30.482 315 HA ASN 46 HA ASN 46 25.239 4.339 30.475 316 HB2 ASN 46 HB2 ASN 46 28.111 5.146 30.968 317 HB3 ASN 46 HB1 ASN 46 27.541 3.681 30.172 318 HD21 ASN 46 HD21 ASN 46 27.401 7.266 29.827 319 HD22 ASN 46 HD22 ASN 46 27.343 7.244 28.132 320 H GLY 47 HN GLY 47 24.400 5.241 32.989 321 HA2 GLY 47 HA2 GLY 47 25.712 3.247 34.720 322 HA3 GLY 47 HA1 GLY 47 25.447 4.879 35.325 323 H LEU 48 HN LEU 48 22.966 5.505 34.427 324 HA LEU 48 HA LEU 48 21.191 3.351 35.386 325 HB2 LEU 48 HB2 LEU 48 21.849 5.614 36.884 326 HB3 LEU 48 HB1 LEU 48 20.272 5.988 36.187 327 HG LEU 48 HG LEU 48 19.495 3.706 36.968 328 HD11 LEU 48 HD11 LEU 48 22.244 3.385 37.482 329 HD12 LEU 48 HD12 LEU 48 20.948 2.275 37.927 330 HD13 LEU 48 HD13 LEU 48 21.485 3.506 39.069 331 HD21 LEU 48 HD21 LEU 48 19.953 4.645 39.545 332 HD22 LEU 48 HD22 LEU 48 18.614 5.120 38.502 333 HD23 LEU 48 HD23 LEU 48 20.081 6.097 38.553 334 H VAL 49 HN VAL 49 21.974 5.379 32.939 335 HA VAL 49 HA VAL 49 19.368 6.295 32.139 336 HB VAL 49 HB VAL 49 21.864 6.021 30.452 337 HG11 VAL 49 HG11 VAL 49 19.362 7.720 30.232 338 HG12 VAL 49 HG12 VAL 49 19.846 6.415 29.148 339 HG13 VAL 49 HG13 VAL 49 20.785 7.906 29.207 340 HG21 VAL 49 HG21 VAL 49 22.461 7.345 32.364 341 HG22 VAL 49 HG22 VAL 49 20.922 8.205 32.328 342 HG23 VAL 49 HG23 VAL 49 22.118 8.483 31.063 343 H LEU 50 HN LEU 50 21.223 3.397 31.737 344 HA LEU 50 HA LEU 50 19.558 2.442 29.532 345 HB2 LEU 50 HB2 LEU 50 22.000 1.405 30.948 346 HB3 LEU 50 HB1 LEU 50 21.043 0.335 29.927 347 HG LEU 50 HG LEU 50 22.965 1.475 28.739 348 HD11 LEU 50 HD11 LEU 50 20.736 2.636 27.271 349 HD12 LEU 50 HD12 LEU 50 20.340 1.019 27.851 350 HD13 LEU 50 HD13 LEU 50 21.763 1.269 26.842 351 HD21 LEU 50 HD21 LEU 50 22.570 3.645 30.051 352 HD22 LEU 50 HD22 LEU 50 21.246 3.956 28.928 353 HD23 LEU 50 HD23 LEU 50 22.899 3.819 28.327 354 H TRP 51 HN TRP 51 19.564 2.425 32.924 355 HA TRP 51 HA TRP 51 18.316 -0.120 33.352 356 HB2 TRP 51 HB2 TRP 51 18.922 0.409 35.443 357 HB3 TRP 51 HB1 TRP 51 19.269 2.070 34.960 358 HD1 TRP 51 HD1 TRP 51 17.142 3.788 34.948 359 HE1 TRP 51 HE1 TRP 51 15.062 3.840 36.471 360 HE3 TRP 51 HE3 TRP 51 17.286 -0.970 36.799 361 HZ2 TRP 51 HZ2 TRP 51 13.647 2.093 38.240 362 HZ3 TRP 51 HZ3 TRP 51 15.561 -1.748 38.399 363 HH2 TRP 51 HH2 TRP 51 13.744 -0.225 39.122 364 H THR 52 HN THR 52 17.197 3.145 32.717 365 HA THR 52 HA THR 52 14.451 2.650 33.365 366 HB THR 52 HB THR 52 15.748 4.916 33.135 367 HG1 THR 52 HG1 THR 52 13.171 4.716 31.991 368 HG21 THR 52 HG21 THR 52 16.232 4.272 30.659 369 HG22 THR 52 HG22 THR 52 15.752 5.931 31.017 370 HG23 THR 52 HG23 THR 52 14.573 4.791 30.367 371 H VAL 53 HN VAL 53 16.455 2.140 30.574 372 HA VAL 53 HA VAL 53 14.442 2.027 28.588 373 HB VAL 53 HB VAL 53 17.154 0.701 28.778 374 HG11 VAL 53 HG11 VAL 53 16.048 -0.658 27.222 375 HG12 VAL 53 HG12 VAL 53 16.745 0.595 26.195 376 HG13 VAL 53 HG13 VAL 53 15.040 0.667 26.637 377 HG21 VAL 53 HG21 VAL 53 17.172 3.160 28.664 378 HG22 VAL 53 HG22 VAL 53 16.113 3.113 27.256 379 HG23 VAL 53 HG23 VAL 53 17.753 2.474 27.148 380 H PHE 54 HN PHE 54 16.255 -0.791 29.792 381 HA PHE 54 HA PHE 54 14.593 -2.790 28.974 382 HB2 PHE 54 HB2 PHE 54 16.014 -4.058 30.155 383 HB3 PHE 54 HB1 PHE 54 16.741 -2.574 30.772 384 HD1 PHE 54 HD1 PHE 54 14.097 -5.114 31.407 385 HD2 PHE 54 HD2 PHE 54 16.389 -1.859 33.021 386 HE1 PHE 54 HE1 PHE 54 13.236 -5.631 33.673 387 HE2 PHE 54 HE2 PHE 54 15.528 -2.377 35.288 388 HZ PHE 54 HZ PHE 54 13.950 -4.263 35.615 389 H ARG 55 HN ARG 55 14.166 -0.695 31.775 390 HA ARG 55 HA ARG 55 11.979 -2.107 32.922 391 HB2 ARG 55 HB2 ARG 55 13.293 -0.483 34.206 392 HB3 ARG 55 HB1 ARG 55 12.739 0.815 33.150 393 HG2 ARG 55 HG2 ARG 55 10.541 -0.789 34.230 394 HG3 ARG 55 HG1 ARG 55 11.491 0.006 35.485 395 HD2 ARG 55 HD2 ARG 55 11.109 2.161 34.554 396 HD3 ARG 55 HD1 ARG 55 10.519 1.487 33.038 397 HE ARG 55 HE ARG 55 8.451 1.107 34.046 398 HH11 ARG 55 HH21 ARG 55 10.853 2.064 36.343 399 HH12 ARG 55 HH22 ARG 55 9.719 2.337 37.623 400 HH21 ARG 55 HH11 ARG 55 6.955 1.465 35.719 401 HH22 ARG 55 HH12 ARG 55 7.512 1.997 37.270 402 H LYS 56 HN LYS 56 12.049 0.924 31.030 403 HA LYS 56 HA LYS 56 9.376 1.416 30.748 404 HB2 LYS 56 HB2 LYS 56 11.614 1.718 28.746 405 HB3 LYS 56 HB1 LYS 56 9.978 2.297 28.428 406 HG2 LYS 56 HG2 LYS 56 11.192 3.056 31.041 407 HG3 LYS 56 HG1 LYS 56 11.834 3.846 29.600 408 HD2 LYS 56 HD2 LYS 56 8.860 3.655 29.983 409 HD3 LYS 56 HD1 LYS 56 9.770 4.902 30.837 410 HE2 LYS 56 HE2 LYS 56 10.301 6.033 28.906 411 HE3 LYS 56 HE1 LYS 56 10.341 4.564 27.932 412 HZ1 LYS 56 HZ1 LYS 56 8.392 5.399 27.200 413 HZ2 LYS 56 HZ2 LYS 56 8.090 6.280 28.620 414 HZ3 LYS 56 HZ3 LYS 56 7.782 4.610 28.572 415 H LYS 57 HN LYS 57 11.302 -0.952 28.959 416 HA LYS 57 HA LYS 57 9.171 -1.742 27.215 417 HB2 LYS 57 HB2 LYS 57 11.815 -3.010 27.940 418 HB3 LYS 57 HB1 LYS 57 10.695 -3.720 26.778 419 HG2 LYS 57 HG2 LYS 57 11.067 -2.086 25.205 420 HG3 LYS 57 HG1 LYS 57 11.362 -0.840 26.418 421 HD2 LYS 57 HD2 LYS 57 13.586 -1.502 26.747 422 HD3 LYS 57 HD1 LYS 57 13.305 -3.114 26.088 423 HE2 LYS 57 HE2 LYS 57 13.094 -2.229 23.845 424 HE3 LYS 57 HE1 LYS 57 13.154 -0.572 24.445 425 HZ1 LYS 57 HZ1 LYS 57 15.315 -2.564 24.280 426 HZ2 LYS 57 HZ2 LYS 57 15.399 -1.320 25.436 427 HZ3 LYS 57 HZ3 LYS 57 15.312 -0.942 23.781 428 H GLY 58 HN GLY 58 8.223 -1.707 29.845 429 HA2 GLY 58 HA2 GLY 58 8.269 -4.172 31.193 430 HA3 GLY 58 HA1 GLY 58 6.985 -2.973 31.313 431 H HIS 59 HN HIS 59 5.042 -3.489 30.508 432 HA HIS 59 HA HIS 59 4.846 -5.504 28.379 433 HB2 HIS 59 HB2 HIS 59 3.651 -5.701 31.128 434 HB3 HIS 59 HB1 HIS 59 2.856 -6.462 29.750 435 HD2 HIS 59 HD2 HIS 59 6.397 -6.688 31.548 436 HE1 HIS 59 HE1 HIS 59 5.714 -10.252 29.391 437 HE2 HIS 59 HE2 HIS 59 7.300 -9.072 30.986 438 H HIS 60 HN HIS 60 2.367 -4.151 30.514 439 HA HIS 60 HA HIS 60 0.572 -3.507 28.472 440 HB2 HIS 60 HB2 HIS 60 -0.268 -1.805 30.304 441 HB3 HIS 60 HB1 HIS 60 -0.426 -3.543 30.561 442 HD2 HIS 60 HD2 HIS 60 2.331 -0.810 31.507 443 HE1 HIS 60 HE1 HIS 60 2.172 -3.752 34.530 444 HE2 HIS 60 HE2 HIS 60 3.271 -1.576 33.820 445 H HIS 61 HN HIS 61 -0.091 -1.434 27.650 446 HA HIS 61 HA HIS 61 1.858 0.075 26.446 447 HB2 HIS 61 HB2 HIS 61 0.106 1.903 26.327 448 HB3 HIS 61 HB1 HIS 61 -0.407 0.325 25.730 449 HD2 HIS 61 HD2 HIS 61 -2.970 -0.064 26.668 450 HE1 HIS 61 HE1 HIS 61 -2.449 1.528 30.544 451 HE2 HIS 61 HE2 HIS 61 -4.097 0.397 28.977 452 H HIS 62 HN HIS 62 3.043 1.886 26.921 453 HA HIS 62 HA HIS 62 3.969 2.348 29.472 454 HB2 HIS 62 HB2 HIS 62 4.987 4.322 28.642 455 HB3 HIS 62 HB1 HIS 62 4.883 3.238 27.254 456 HD2 HIS 62 HD2 HIS 62 1.885 3.802 26.185 457 HE1 HIS 62 HE1 HIS 62 2.868 7.904 26.346 458 HE2 HIS 62 HE2 HIS 62 1.243 6.204 25.387 459 H HIS 63 HN HIS 63 3.290 3.429 31.231 460 HA HIS 63 HA HIS 63 0.623 4.166 31.589 461 HB2 HIS 63 HB2 HIS 63 3.145 4.845 33.087 462 HB3 HIS 63 HB1 HIS 63 1.580 5.481 33.593 463 HD2 HIS 63 HD2 HIS 63 2.284 1.760 32.362 464 HE1 HIS 63 HE1 HIS 63 0.674 1.647 36.263 465 HE2 HIS 63 HE2 HIS 63 1.440 0.228 34.302 466 H HIS 64 HN HIS 64 -0.102 6.409 32.273 467 HA HIS 64 HA HIS 64 -0.620 8.554 31.635 468 HB2 HIS 64 HB2 HIS 64 1.752 8.807 32.572 469 HB3 HIS 64 HB1 HIS 64 2.290 8.846 30.892 470 HD2 HIS 64 HD2 HIS 64 -0.761 10.633 30.300 471 HE1 HIS 64 HE1 HIS 64 1.584 13.625 32.135 472 HE2 HIS 64 HE2 HIS 64 -0.498 13.192 30.747 Start of MODEL 32 1 H1 MET 1 HT1 MET 1 23.171 -14.666 34.490 2 H2 MET 1 HT2 MET 1 23.076 -13.550 35.768 3 H3 MET 1 HT3 MET 1 22.501 -13.132 34.224 4 HA MET 1 HA MET 1 21.277 -14.807 36.284 5 HB2 MET 1 HB2 MET 1 20.642 -12.398 35.584 6 HB3 MET 1 HB1 MET 1 19.974 -13.141 34.131 7 HG2 MET 1 HG2 MET 1 18.111 -13.190 35.512 8 HG3 MET 1 HG1 MET 1 18.821 -14.761 35.884 9 HE1 MET 1 HE1 MET 1 17.714 -15.091 38.015 10 HE2 MET 1 HE2 MET 1 18.600 -14.677 39.481 11 HE3 MET 1 HE3 MET 1 19.421 -15.527 38.174 12 H GLU 2 HN GLU 2 22.238 -14.935 32.990 13 HA GLU 2 HA GLU 2 22.038 -16.579 31.402 14 HB2 GLU 2 HB2 GLU 2 20.418 -18.264 33.287 15 HB3 GLU 2 HB1 GLU 2 21.583 -18.767 32.063 16 HG2 GLU 2 HG2 GLU 2 23.211 -17.301 33.639 17 HG3 GLU 2 HG1 GLU 2 22.047 -17.839 34.848 18 H GLU 3 HN GLU 3 20.674 -16.656 29.722 19 HA GLU 3 HA GLU 3 18.687 -16.714 28.532 20 HB2 GLU 3 HB2 GLU 3 17.889 -17.882 30.802 21 HB3 GLU 3 HB1 GLU 3 16.991 -16.371 30.952 22 HG2 GLU 3 HG2 GLU 3 16.119 -16.730 28.625 23 HG3 GLU 3 HG1 GLU 3 16.898 -18.311 28.626 24 H GLY 4 HN GLY 4 18.493 -14.868 27.440 25 HA2 GLY 4 HA2 GLY 4 16.896 -12.796 27.769 26 HA3 GLY 4 HA1 GLY 4 18.184 -12.333 28.878 27 H GLY 5 HN GLY 5 20.297 -13.529 27.263 28 HA2 GLY 5 HA2 GLY 5 20.758 -11.301 25.485 29 HA3 GLY 5 HA1 GLY 5 21.860 -12.640 25.794 30 H ASP 6 HN ASP 6 19.411 -11.377 23.725 31 HA ASP 6 HA ASP 6 19.981 -13.460 21.761 32 HB2 ASP 6 HB2 ASP 6 17.768 -13.787 23.350 33 HB3 ASP 6 HB1 ASP 6 17.101 -12.921 21.967 34 H PHE 7 HN PHE 7 20.565 -12.306 20.042 35 HA PHE 7 HA PHE 7 19.368 -9.677 19.563 36 HB2 PHE 7 HB2 PHE 7 21.580 -11.050 18.023 37 HB3 PHE 7 HB1 PHE 7 21.148 -9.341 17.976 38 HD1 PHE 7 HD1 PHE 7 21.309 -7.997 20.164 39 HD2 PHE 7 HD2 PHE 7 23.116 -11.856 19.623 40 HE1 PHE 7 HE1 PHE 7 22.815 -7.560 22.084 41 HE2 PHE 7 HE2 PHE 7 24.623 -11.419 21.544 42 HZ PHE 7 HZ PHE 7 24.473 -9.271 22.775 43 H ASP 8 HN ASP 8 18.469 -9.104 17.520 44 HA ASP 8 HA ASP 8 17.844 -11.213 15.618 45 HB2 ASP 8 HB2 ASP 8 16.086 -11.373 17.416 46 HB3 ASP 8 HB1 ASP 8 15.590 -9.737 16.989 47 H ASN 9 HN ASN 9 19.423 -9.147 15.056 48 HA ASN 9 HA ASN 9 17.741 -7.487 13.301 49 HB2 ASN 9 HB2 ASN 9 20.012 -6.391 14.972 50 HB3 ASN 9 HB1 ASN 9 18.982 -5.482 13.869 51 HD21 ASN 9 HD21 ASN 9 19.369 -5.454 16.970 52 HD22 ASN 9 HD22 ASN 9 17.775 -5.505 17.553 53 H TYR 10 HN TYR 10 19.164 -9.772 12.562 54 HA TYR 10 HA TYR 10 21.775 -9.468 11.689 55 HB2 TYR 10 HB2 TYR 10 21.127 -11.595 11.230 56 HB3 TYR 10 HB1 TYR 10 19.462 -11.122 10.892 57 HD1 TYR 10 HD1 TYR 10 22.865 -11.427 9.488 58 HD2 TYR 10 HD2 TYR 10 18.762 -10.459 8.666 59 HE1 TYR 10 HE1 TYR 10 23.331 -11.519 7.054 60 HE2 TYR 10 HE2 TYR 10 19.229 -10.549 6.232 61 HH TYR 10 HH TYR 10 22.488 -10.844 4.996 62 H TYR 11 HN TYR 11 18.772 -8.449 10.100 63 HA TYR 11 HA TYR 11 19.631 -7.663 7.630 64 HB2 TYR 11 HB2 TYR 11 17.787 -6.221 7.535 65 HB3 TYR 11 HB1 TYR 11 17.305 -7.401 8.754 66 HD1 TYR 11 HD1 TYR 11 18.507 -3.955 8.184 67 HD2 TYR 11 HD2 TYR 11 17.172 -6.809 11.105 68 HE1 TYR 11 HE1 TYR 11 18.269 -2.136 9.854 69 HE2 TYR 11 HE2 TYR 11 16.935 -4.991 12.773 70 HH TYR 11 HH TYR 11 17.303 -2.837 13.208 71 H GLY 12 HN GLY 12 20.554 -5.812 6.722 72 HA2 GLY 12 HA2 GLY 12 21.276 -3.425 7.405 73 HA3 GLY 12 HA1 GLY 12 22.269 -4.289 8.575 74 H ALA 13 HN ALA 13 22.661 -2.645 5.922 75 HA ALA 13 HA ALA 13 24.960 -4.209 5.055 76 HB1 ALA 13 HB1 ALA 13 23.203 -5.084 3.606 77 HB2 ALA 13 HB2 ALA 13 24.311 -4.085 2.666 78 HB3 ALA 13 HB3 ALA 13 22.738 -3.447 3.146 79 H ASP 14 HN ASP 14 25.093 -1.905 6.446 80 HA ASP 14 HA ASP 14 25.206 0.405 4.720 81 HB2 ASP 14 HB2 ASP 14 26.512 0.198 7.423 82 HB3 ASP 14 HB1 ASP 14 25.822 1.617 6.638 83 H ASN 15 HN ASN 15 26.631 -0.871 3.162 84 HA ASN 15 HA ASN 15 29.458 -0.319 3.819 85 HB2 ASN 15 HB2 ASN 15 28.313 -2.772 2.472 86 HB3 ASN 15 HB1 ASN 15 30.027 -2.360 2.463 87 HD21 ASN 15 HD21 ASN 15 28.924 -4.749 3.734 88 HD22 ASN 15 HD22 ASN 15 29.229 -4.614 5.399 89 H GLN 16 HN GLN 16 28.175 -1.796 0.919 90 HA GLN 16 HA GLN 16 28.531 -1.179 -1.290 91 HB2 GLN 16 HB2 GLN 16 26.493 0.271 -0.035 92 HB3 GLN 16 HB1 GLN 16 27.389 1.470 -0.965 93 HG2 GLN 16 HG2 GLN 16 27.110 0.198 -3.001 94 HG3 GLN 16 HG1 GLN 16 26.404 -1.157 -2.117 95 HE21 GLN 16 HE21 GLN 16 24.594 0.103 -0.421 96 HE22 GLN 16 HE22 GLN 16 23.417 0.917 -1.337 97 H SER 17 HN SER 17 30.694 -0.360 0.613 98 HA SER 17 HA SER 17 31.910 1.654 -1.153 99 HB2 SER 17 HB2 SER 17 30.957 2.663 1.020 100 HB3 SER 17 HB1 SER 17 32.261 1.804 1.835 101 HG SER 17 HG SER 17 32.457 3.751 -0.221 102 H GLU 18 HN GLU 18 34.046 1.324 -1.564 103 HA GLU 18 HA GLU 18 35.195 -1.175 -0.584 104 HB2 GLU 18 HB2 GLU 18 35.199 -0.324 -3.043 105 HB3 GLU 18 HB1 GLU 18 36.541 0.693 -2.515 106 HG2 GLU 18 HG2 GLU 18 37.331 -1.655 -1.451 107 HG3 GLU 18 HG1 GLU 18 36.411 -2.261 -2.828 108 H CYS 19 HN CYS 19 35.167 0.188 1.589 109 HA CYS 19 HA CYS 19 37.946 0.988 2.015 110 HB2 CYS 19 HB2 CYS 19 36.984 2.962 3.426 111 HB3 CYS 19 HB1 CYS 19 37.147 3.154 1.681 112 HG CYS 19 HG CYS 19 34.432 2.068 2.123 113 H GLU 20 HN GLU 20 38.697 0.415 3.996 114 HA GLU 20 HA GLU 20 38.761 -0.696 6.007 115 HB2 GLU 20 HB2 GLU 20 36.298 1.001 6.191 116 HB3 GLU 20 HB1 GLU 20 36.652 -0.151 7.479 117 HG2 GLU 20 HG2 GLU 20 37.627 2.075 7.960 118 HG3 GLU 20 HG1 GLU 20 38.875 0.842 7.785 119 H TYR 21 HN TYR 21 36.931 -1.655 3.576 120 HA TYR 21 HA TYR 21 35.074 -3.458 4.798 121 HB2 TYR 21 HB2 TYR 21 34.426 -3.925 2.671 122 HB3 TYR 21 HB1 TYR 21 35.384 -2.498 2.276 123 HD1 TYR 21 HD1 TYR 21 37.736 -2.747 1.480 124 HD2 TYR 21 HD2 TYR 21 35.159 -6.132 2.071 125 HE1 TYR 21 HE1 TYR 21 39.268 -4.149 0.125 126 HE2 TYR 21 HE2 TYR 21 36.692 -7.535 0.716 127 HH TYR 21 HH TYR 21 39.067 -6.274 -1.265 128 H THR 22 HN THR 22 38.388 -3.460 4.725 129 HA THR 22 HA THR 22 38.627 -6.389 4.589 130 HB THR 22 HB THR 22 40.656 -4.153 4.539 131 HG1 THR 22 HG1 THR 22 39.327 -5.499 2.719 132 HG21 THR 22 HG21 THR 22 41.787 -5.744 5.833 133 HG22 THR 22 HG22 THR 22 42.251 -6.189 4.191 134 HG23 THR 22 HG23 THR 22 40.995 -7.101 5.031 135 H ASP 23 HN ASP 23 38.954 -3.655 6.767 136 HA ASP 23 HA ASP 23 39.956 -5.347 8.927 137 HB2 ASP 23 HB2 ASP 23 40.516 -3.407 10.021 138 HB3 ASP 23 HB1 ASP 23 40.539 -2.814 8.362 139 H TRP 24 HN TRP 24 37.190 -5.561 7.693 140 HA TRP 24 HA TRP 24 35.175 -4.619 9.327 141 HB2 TRP 24 HB2 TRP 24 34.107 -6.974 8.731 142 HB3 TRP 24 HB1 TRP 24 34.343 -5.740 7.497 143 HD1 TRP 24 HD1 TRP 24 37.317 -7.690 8.864 144 HE1 TRP 24 HE1 TRP 24 38.272 -9.175 6.987 145 HE3 TRP 24 HE3 TRP 24 33.730 -7.011 5.293 146 HZ2 TRP 24 HZ2 TRP 24 37.605 -9.969 4.321 147 HZ3 TRP 24 HZ3 TRP 24 33.916 -8.142 3.095 148 HH2 TRP 24 HH2 TRP 24 35.846 -9.619 2.605 149 H LYS 25 HN LYS 25 35.366 -8.048 9.655 150 HA LYS 25 HA LYS 25 35.523 -7.731 12.575 151 HB2 LYS 25 HB2 LYS 25 34.656 -10.079 12.604 152 HB3 LYS 25 HB1 LYS 25 33.573 -8.937 11.807 153 HG2 LYS 25 HG2 LYS 25 35.413 -9.930 9.854 154 HG3 LYS 25 HG1 LYS 25 34.733 -11.308 10.719 155 HD2 LYS 25 HD2 LYS 25 32.454 -10.429 10.313 156 HD3 LYS 25 HD1 LYS 25 33.145 -9.075 9.418 157 HE2 LYS 25 HE2 LYS 25 33.214 -10.336 7.559 158 HE3 LYS 25 HE1 LYS 25 34.275 -11.483 8.376 159 HZ1 LYS 25 HZ1 LYS 25 32.332 -12.635 7.671 160 HZ2 LYS 25 HZ2 LYS 25 31.308 -11.474 8.375 161 HZ3 LYS 25 HZ3 LYS 25 32.251 -12.488 9.360 162 H SER 26 HN SER 26 37.941 -7.319 11.891 163 HA SER 26 HA SER 26 39.344 -9.871 12.335 164 HB2 SER 26 HB2 SER 26 39.643 -9.508 9.987 165 HB3 SER 26 HB1 SER 26 40.001 -7.801 10.232 166 HG SER 26 HG SER 26 41.540 -9.831 11.451 167 H SER 27 HN SER 27 38.603 -7.735 14.148 168 HA SER 27 HA SER 27 39.628 -6.790 15.998 169 HB2 SER 27 HB2 SER 27 42.366 -7.025 14.861 170 HB3 SER 27 HB1 SER 27 41.801 -7.305 16.506 171 HG SER 27 HG SER 27 41.551 -9.326 16.016 172 H GLY 28 HN GLY 28 39.325 -5.664 13.044 173 HA2 GLY 28 HA2 GLY 28 41.036 -3.558 12.585 174 HA3 GLY 28 HA1 GLY 28 39.322 -3.521 12.184 175 H ALA 29 HN ALA 29 38.490 -3.816 14.982 176 HA ALA 29 HA ALA 29 38.978 -1.034 15.835 177 HB1 ALA 29 HB1 ALA 29 36.660 -1.350 15.556 178 HB2 ALA 29 HB2 ALA 29 36.909 -1.533 17.292 179 HB3 ALA 29 HB3 ALA 29 36.704 -2.959 16.276 180 H LEU 30 HN LEU 30 41.084 -1.830 16.695 181 HA LEU 30 HA LEU 30 40.800 -3.292 19.242 182 HB2 LEU 30 HB2 LEU 30 43.235 -3.638 19.088 183 HB3 LEU 30 HB1 LEU 30 42.405 -4.256 17.659 184 HG LEU 30 HG LEU 30 42.908 -1.630 16.969 185 HD11 LEU 30 HD11 LEU 30 44.350 -1.569 19.088 186 HD12 LEU 30 HD12 LEU 30 45.143 -1.081 17.590 187 HD13 LEU 30 HD13 LEU 30 45.431 -2.687 18.256 188 HD21 LEU 30 HD21 LEU 30 44.823 -2.694 15.635 189 HD22 LEU 30 HD22 LEU 30 43.231 -3.422 15.425 190 HD23 LEU 30 HD23 LEU 30 44.425 -4.199 16.464 191 H ILE 31 HN ILE 31 41.962 -0.304 17.789 192 HA ILE 31 HA ILE 31 42.961 0.694 20.322 193 HB ILE 31 HB ILE 31 43.222 1.401 17.517 194 HG12 ILE 31 HG12 ILE 31 45.008 0.740 19.173 195 HG13 ILE 31 HG11 ILE 31 45.361 2.197 18.250 196 HG21 ILE 31 HG21 ILE 31 42.709 3.673 19.470 197 HG22 ILE 31 HG22 ILE 31 41.809 3.319 17.994 198 HG23 ILE 31 HG23 ILE 31 43.479 3.861 17.898 199 HD11 ILE 31 HD11 ILE 31 43.909 2.764 20.737 200 HD12 ILE 31 HD12 ILE 31 45.387 3.488 20.108 201 HD13 ILE 31 HD13 ILE 31 45.462 1.977 21.012 202 HA PRO 32 HA PRO 32 39.038 3.526 19.532 203 HB2 PRO 32 HB2 PRO 32 37.212 1.466 18.431 204 HB3 PRO 32 HB1 PRO 32 37.427 3.158 17.946 205 HG2 PRO 32 HG2 PRO 32 38.312 1.132 16.445 206 HG3 PRO 32 HG1 PRO 32 39.174 2.676 16.548 207 HD2 PRO 32 HD2 PRO 32 39.836 0.059 17.843 208 HD3 PRO 32 HD1 PRO 32 40.925 1.304 17.193 209 H ALA 33 HN ALA 33 38.311 0.057 19.983 210 HA ALA 33 HA ALA 33 36.361 0.159 21.900 211 HB1 ALA 33 HB1 ALA 33 37.773 -1.932 22.845 212 HB2 ALA 33 HB2 ALA 33 38.538 -1.755 21.265 213 HB3 ALA 33 HB3 ALA 33 36.797 -2.019 21.379 214 H ILE 34 HN ILE 34 39.775 0.848 22.297 215 HA ILE 34 HA ILE 34 39.645 0.903 25.187 216 HB ILE 34 HB ILE 34 41.739 1.534 23.133 217 HG12 ILE 34 HG12 ILE 34 42.963 -0.182 24.336 218 HG13 ILE 34 HG11 ILE 34 41.758 -0.195 25.625 219 HG21 ILE 34 HG21 ILE 34 41.640 2.431 26.010 220 HG22 ILE 34 HG22 ILE 34 42.137 3.346 24.585 221 HG23 ILE 34 HG23 ILE 34 43.182 2.080 25.228 222 HD11 ILE 34 HD11 ILE 34 41.612 -2.043 23.807 223 HD12 ILE 34 HD12 ILE 34 40.972 -0.767 22.772 224 HD13 ILE 34 HD13 ILE 34 40.127 -1.205 24.256 225 H TYR 35 HN TYR 35 39.356 3.156 22.533 226 HA TYR 35 HA TYR 35 39.580 5.533 24.114 227 HB2 TYR 35 HB2 TYR 35 39.436 4.915 21.379 228 HB3 TYR 35 HB1 TYR 35 38.002 5.884 21.718 229 HD1 TYR 35 HD1 TYR 35 38.340 8.056 23.098 230 HD2 TYR 35 HD2 TYR 35 41.532 5.952 21.138 231 HE1 TYR 35 HE1 TYR 35 39.741 10.099 23.186 232 HE2 TYR 35 HE2 TYR 35 42.933 7.997 21.227 233 HH TYR 35 HH TYR 35 41.622 11.076 22.315 234 H MET 36 HN MET 36 36.764 4.102 22.443 235 HA MET 36 HA MET 36 34.756 5.623 23.515 236 HB2 MET 36 HB2 MET 36 33.392 3.411 23.438 237 HB3 MET 36 HB1 MET 36 34.068 4.033 21.936 238 HG2 MET 36 HG2 MET 36 35.546 2.326 21.739 239 HG3 MET 36 HG1 MET 36 35.871 2.267 23.472 240 HE1 MET 36 HE1 MET 36 32.567 1.431 24.745 241 HE2 MET 36 HE2 MET 36 34.247 1.841 25.075 242 HE3 MET 36 HE3 MET 36 33.730 0.159 25.142 243 H LEU 37 HN LEU 37 36.596 3.069 25.052 244 HA LEU 37 HA LEU 37 35.047 2.533 27.294 245 HB2 LEU 37 HB2 LEU 37 37.628 1.904 26.419 246 HB3 LEU 37 HB1 LEU 37 37.876 2.736 27.952 247 HG LEU 37 HG LEU 37 37.615 0.355 28.381 248 HD11 LEU 37 HD11 LEU 37 36.212 2.341 29.640 249 HD12 LEU 37 HD12 LEU 37 36.290 0.669 30.199 250 HD13 LEU 37 HD13 LEU 37 34.922 1.213 29.226 251 HD21 LEU 37 HD21 LEU 37 34.835 0.035 27.655 252 HD22 LEU 37 HD22 LEU 37 36.224 -0.935 27.165 253 HD23 LEU 37 HD23 LEU 37 35.777 0.495 26.237 254 H VAL 38 HN VAL 38 37.673 4.936 27.024 255 HA VAL 38 HA VAL 38 36.964 6.155 29.542 256 HB VAL 38 HB VAL 38 38.751 7.470 27.529 257 HG11 VAL 38 HG11 VAL 38 40.003 8.034 29.574 258 HG12 VAL 38 HG12 VAL 38 38.892 7.056 30.534 259 HG13 VAL 38 HG13 VAL 38 38.314 8.516 29.732 260 HG21 VAL 38 HG21 VAL 38 39.205 4.855 28.951 261 HG22 VAL 38 HG22 VAL 38 40.564 5.936 28.641 262 HG23 VAL 38 HG23 VAL 38 39.616 5.303 27.295 263 H PHE 39 HN PHE 39 35.208 6.118 26.946 264 HA PHE 39 HA PHE 39 34.658 9.019 26.843 265 HB2 PHE 39 HB2 PHE 39 35.165 7.586 24.723 266 HB3 PHE 39 HB1 PHE 39 33.505 7.026 24.921 267 HD1 PHE 39 HD1 PHE 39 35.652 9.963 24.284 268 HD2 PHE 39 HD2 PHE 39 31.619 8.515 24.589 269 HE1 PHE 39 HE1 PHE 39 34.821 12.059 23.250 270 HE2 PHE 39 HE2 PHE 39 30.789 10.610 23.554 271 HZ PHE 39 HZ PHE 39 32.389 12.382 22.885 272 H LEU 40 HN LEU 40 33.063 5.841 27.061 273 HA LEU 40 HA LEU 40 30.461 6.902 27.525 274 HB2 LEU 40 HB2 LEU 40 29.892 4.602 28.239 275 HB3 LEU 40 HB1 LEU 40 30.760 4.623 26.705 276 HG LEU 40 HG LEU 40 32.823 4.474 28.519 277 HD11 LEU 40 HD11 LEU 40 32.277 2.943 30.247 278 HD12 LEU 40 HD12 LEU 40 30.727 2.539 29.510 279 HD13 LEU 40 HD13 LEU 40 30.958 4.111 30.270 280 HD21 LEU 40 HD21 LEU 40 32.832 2.021 27.878 281 HD22 LEU 40 HD22 LEU 40 32.704 3.134 26.516 282 HD23 LEU 40 HD23 LEU 40 31.271 2.289 27.102 283 H LEU 41 HN LEU 41 33.110 5.914 29.641 284 HA LEU 41 HA LEU 41 31.553 6.270 32.049 285 HB2 LEU 41 HB2 LEU 41 33.418 5.485 33.195 286 HB3 LEU 41 HB1 LEU 41 33.626 4.726 31.623 287 HG LEU 41 HG LEU 41 34.969 6.925 31.048 288 HD11 LEU 41 HD11 LEU 41 35.568 8.278 32.755 289 HD12 LEU 41 HD12 LEU 41 36.052 6.908 33.751 290 HD13 LEU 41 HD13 LEU 41 34.377 7.449 33.754 291 HD21 LEU 41 HD21 LEU 41 36.020 4.689 32.804 292 HD22 LEU 41 HD22 LEU 41 37.031 5.783 31.859 293 HD23 LEU 41 HD23 LEU 41 35.921 4.682 31.044 294 H GLY 42 HN GLY 42 33.551 8.232 30.008 295 HA2 GLY 42 HA2 GLY 42 34.055 10.288 31.969 296 HA3 GLY 42 HA1 GLY 42 34.376 10.389 30.240 297 H THR 43 HN THR 43 31.593 9.586 29.590 298 HA THR 43 HA THR 43 29.774 11.469 30.700 299 HB THR 43 HB THR 43 31.189 13.083 29.503 300 HG1 THR 43 HG1 THR 43 29.516 14.066 28.500 301 HG21 THR 43 HG21 THR 43 31.321 11.011 27.587 302 HG22 THR 43 HG22 THR 43 32.083 12.598 27.499 303 HG23 THR 43 HG23 THR 43 30.480 12.350 26.807 304 H THR 44 HN THR 44 28.839 11.808 27.717 305 HA THR 44 HA THR 44 27.452 10.710 26.244 306 HB THR 44 HB THR 44 28.032 8.056 27.492 307 HG1 THR 44 HG1 THR 44 29.961 9.612 27.160 308 HG21 THR 44 HG21 THR 44 26.601 8.655 25.365 309 HG22 THR 44 HG22 THR 44 27.681 7.261 25.333 310 HG23 THR 44 HG23 THR 44 28.178 8.779 24.584 311 H GLY 45 HN GLY 45 27.392 9.534 29.584 312 HA2 GLY 45 HA2 GLY 45 24.488 9.931 29.631 313 HA3 GLY 45 HA1 GLY 45 25.093 8.328 30.037 314 H ASN 46 HN ASN 46 27.022 11.086 30.840 315 HA ASN 46 HA ASN 46 26.044 11.099 33.611 316 HB2 ASN 46 HB2 ASN 46 28.975 10.816 32.926 317 HB3 ASN 46 HB1 ASN 46 28.245 10.796 34.531 318 HD21 ASN 46 HD21 ASN 46 28.805 8.881 31.623 319 HD22 ASN 46 HD22 ASN 46 28.215 7.420 32.254 320 H GLY 47 HN GLY 47 25.231 13.183 33.166 321 HA2 GLY 47 HA2 GLY 47 26.637 15.365 33.941 322 HA3 GLY 47 HA1 GLY 47 26.992 15.276 32.219 323 H LEU 48 HN LEU 48 24.620 14.436 31.153 324 HA LEU 48 HA LEU 48 22.892 16.763 31.664 325 HB2 LEU 48 HB2 LEU 48 23.821 16.208 29.335 326 HB3 LEU 48 HB1 LEU 48 22.674 14.867 29.332 327 HG LEU 48 HG LEU 48 21.034 16.860 30.137 328 HD11 LEU 48 HD11 LEU 48 22.864 18.204 28.140 329 HD12 LEU 48 HD12 LEU 48 23.026 18.452 29.879 330 HD13 LEU 48 HD13 LEU 48 21.539 18.923 29.056 331 HD21 LEU 48 HD21 LEU 48 20.317 17.000 27.758 332 HD22 LEU 48 HD22 LEU 48 20.630 15.336 28.254 333 HD23 LEU 48 HD23 LEU 48 21.816 16.202 27.278 334 H VAL 49 HN VAL 49 22.915 13.251 31.578 335 HA VAL 49 HA VAL 49 20.171 12.736 31.701 336 HB VAL 49 HB VAL 49 22.403 11.208 33.062 337 HG11 VAL 49 HG11 VAL 49 20.734 9.298 32.582 338 HG12 VAL 49 HG12 VAL 49 19.535 10.573 32.367 339 HG13 VAL 49 HG13 VAL 49 20.353 10.384 33.918 340 HG21 VAL 49 HG21 VAL 49 22.636 11.660 30.562 341 HG22 VAL 49 HG22 VAL 49 21.157 10.725 30.344 342 HG23 VAL 49 HG23 VAL 49 22.592 9.959 31.023 343 H LEU 50 HN LEU 50 22.188 14.278 33.966 344 HA LEU 50 HA LEU 50 20.469 13.647 36.251 345 HB2 LEU 50 HB2 LEU 50 22.761 15.591 36.307 346 HB3 LEU 50 HB1 LEU 50 22.131 14.579 37.607 347 HG LEU 50 HG LEU 50 23.665 13.647 35.165 348 HD11 LEU 50 HD11 LEU 50 24.584 14.623 37.578 349 HD12 LEU 50 HD12 LEU 50 25.481 13.535 36.518 350 HD13 LEU 50 HD13 LEU 50 24.543 12.883 37.863 351 HD21 LEU 50 HD21 LEU 50 23.485 11.414 36.518 352 HD22 LEU 50 HD22 LEU 50 22.120 11.914 35.519 353 HD23 LEU 50 HD23 LEU 50 22.081 12.177 37.262 354 H TRP 51 HN TRP 51 20.996 16.129 33.897 355 HA TRP 51 HA TRP 51 19.829 18.297 35.343 356 HB2 TRP 51 HB2 TRP 51 20.656 19.411 33.587 357 HB3 TRP 51 HB1 TRP 51 21.024 17.886 32.782 358 HD1 TRP 51 HD1 TRP 51 18.957 16.773 31.346 359 HE1 TRP 51 HE1 TRP 51 17.113 17.943 29.976 360 HE3 TRP 51 HE3 TRP 51 19.204 21.461 33.358 361 HZ2 TRP 51 HZ2 TRP 51 15.903 20.526 29.762 362 HZ3 TRP 51 HZ3 TRP 51 17.695 23.254 32.553 363 HH2 TRP 51 HH2 TRP 51 16.047 22.794 30.759 364 H THR 52 HN THR 52 18.576 15.712 33.343 365 HA THR 52 HA THR 52 15.933 16.875 33.124 366 HB THR 52 HB THR 52 17.083 15.258 31.460 367 HG1 THR 52 HG1 THR 52 15.111 14.741 30.776 368 HG21 THR 52 HG21 THR 52 17.521 13.629 33.443 369 HG22 THR 52 HG22 THR 52 16.995 12.954 31.901 370 HG23 THR 52 HG23 THR 52 15.838 13.155 33.215 371 H VAL 53 HN VAL 53 17.609 14.626 35.210 372 HA VAL 53 HA VAL 53 15.359 13.408 36.417 373 HB VAL 53 HB VAL 53 18.156 13.899 37.459 374 HG11 VAL 53 HG11 VAL 53 15.737 12.738 38.708 375 HG12 VAL 53 HG12 VAL 53 17.185 13.405 39.463 376 HG13 VAL 53 HG13 VAL 53 17.195 11.755 38.842 377 HG21 VAL 53 HG21 VAL 53 18.710 11.874 36.518 378 HG22 VAL 53 HG22 VAL 53 17.419 12.318 35.403 379 HG23 VAL 53 HG23 VAL 53 17.090 11.212 36.736 380 H PHE 54 HN PHE 54 17.509 15.877 37.850 381 HA PHE 54 HA PHE 54 15.850 16.566 39.981 382 HB2 PHE 54 HB2 PHE 54 17.558 17.935 40.461 383 HB3 PHE 54 HB1 PHE 54 18.304 17.447 38.939 384 HD1 PHE 54 HD2 PHE 54 16.186 19.985 40.594 385 HD2 PHE 54 HD1 PHE 54 18.204 18.859 36.973 386 HE1 PHE 54 HE2 PHE 54 15.844 22.271 39.692 387 HE2 PHE 54 HE1 PHE 54 17.863 21.144 36.071 388 HZ PHE 54 HZ PHE 54 16.682 22.850 37.430 389 H ARG 55 HN ARG 55 15.447 17.177 36.652 390 HA ARG 55 HA ARG 55 13.779 19.536 37.006 391 HB2 ARG 55 HB2 ARG 55 15.202 19.327 35.007 392 HB3 ARG 55 HB1 ARG 55 14.329 17.866 34.541 393 HG2 ARG 55 HG2 ARG 55 12.652 19.070 33.640 394 HG3 ARG 55 HG1 ARG 55 12.483 20.031 35.111 395 HD2 ARG 55 HD2 ARG 55 14.636 20.502 33.035 396 HD3 ARG 55 HD1 ARG 55 13.106 21.372 33.069 397 HE ARG 55 HE ARG 55 14.307 21.572 35.612 398 HH11 ARG 55 HH21 ARG 55 14.753 22.568 32.328 399 HH12 ARG 55 HH22 ARG 55 15.586 24.029 32.739 400 HH21 ARG 55 HH11 ARG 55 15.398 23.488 36.159 401 HH22 ARG 55 HH12 ARG 55 15.950 24.550 34.908 402 H LYS 56 HN LYS 56 13.313 16.225 35.751 403 HA LYS 56 HA LYS 56 10.631 16.168 35.305 404 HB2 LYS 56 HB2 LYS 56 12.372 14.069 36.607 405 HB3 LYS 56 HB1 LYS 56 10.701 13.768 36.126 406 HG2 LYS 56 HG2 LYS 56 12.463 15.024 34.085 407 HG3 LYS 56 HG1 LYS 56 12.782 13.333 34.469 408 HD2 LYS 56 HD2 LYS 56 10.437 12.765 34.015 409 HD3 LYS 56 HD1 LYS 56 10.081 14.459 33.676 410 HE2 LYS 56 HE2 LYS 56 12.347 13.685 32.106 411 HE3 LYS 56 HE1 LYS 56 11.074 12.486 31.875 412 HZ1 LYS 56 HZ1 LYS 56 10.349 13.997 30.392 413 HZ2 LYS 56 HZ2 LYS 56 11.128 15.301 31.153 414 HZ3 LYS 56 HZ3 LYS 56 9.652 14.718 31.759 415 H LYS 57 HN LYS 57 12.219 15.875 38.467 416 HA LYS 57 HA LYS 57 9.694 15.678 39.871 417 HB2 LYS 57 HB2 LYS 57 12.515 16.062 40.901 418 HB3 LYS 57 HB1 LYS 57 11.101 15.721 41.899 419 HG2 LYS 57 HG2 LYS 57 11.089 13.522 41.339 420 HG3 LYS 57 HG1 LYS 57 11.443 13.860 39.644 421 HD2 LYS 57 HD2 LYS 57 13.781 14.042 40.062 422 HD3 LYS 57 HD1 LYS 57 13.537 14.127 41.807 423 HE2 LYS 57 HE2 LYS 57 12.564 11.709 40.322 424 HE3 LYS 57 HE1 LYS 57 14.284 11.854 40.685 425 HZ1 LYS 57 HZ1 LYS 57 13.839 11.174 42.728 426 HZ2 LYS 57 HZ2 LYS 57 12.171 11.147 42.410 427 HZ3 LYS 57 HZ3 LYS 57 12.906 12.566 42.985 428 H GLY 58 HN GLY 58 9.785 17.979 38.278 429 HA2 GLY 58 HA2 GLY 58 10.299 20.199 40.137 430 HA3 GLY 58 HA1 GLY 58 10.002 20.347 38.407 431 H HIS 59 HN HIS 59 8.057 18.337 40.521 432 HA HIS 59 HA HIS 59 5.694 19.896 39.800 433 HB2 HIS 59 HB2 HIS 59 5.744 17.406 41.499 434 HB3 HIS 59 HB1 HIS 59 4.420 18.037 40.518 435 HD2 HIS 59 HD2 HIS 59 6.470 18.482 37.791 436 HE1 HIS 59 HE1 HIS 59 6.673 14.270 37.995 437 HE2 HIS 59 HE2 HIS 59 7.081 16.289 36.511 438 H HIS 60 HN HIS 60 7.194 18.628 42.781 439 HA HIS 60 HA HIS 60 6.901 19.251 44.988 440 HB2 HIS 60 HB2 HIS 60 8.213 21.182 43.659 441 HB3 HIS 60 HB1 HIS 60 6.809 22.110 44.185 442 HD2 HIS 60 HD2 HIS 60 9.981 22.213 45.608 443 HE1 HIS 60 HE1 HIS 60 7.808 20.885 48.975 444 HE2 HIS 60 HE2 HIS 60 9.994 21.923 48.202 445 H HIS 61 HN HIS 61 5.699 21.629 46.011 446 HA HIS 61 HA HIS 61 3.007 20.774 46.235 447 HB2 HIS 61 HB2 HIS 61 4.699 22.684 47.487 448 HB3 HIS 61 HB1 HIS 61 3.248 23.533 46.952 449 HD2 HIS 61 HD2 HIS 61 4.254 20.709 49.490 450 HE1 HIS 61 HE1 HIS 61 0.146 21.535 50.010 451 HE2 HIS 61 HE2 HIS 61 2.133 20.263 50.948 452 H HIS 62 HN HIS 62 1.094 22.056 45.680 453 HA HIS 62 HA HIS 62 0.805 22.546 42.980 454 HB2 HIS 62 HB2 HIS 62 -0.710 23.529 45.385 455 HB3 HIS 62 HB1 HIS 62 -1.165 24.047 43.761 456 HD2 HIS 62 HD2 HIS 62 -1.816 21.769 41.989 457 HE1 HIS 62 HE1 HIS 62 -2.686 19.203 45.226 458 HE2 HIS 62 HE2 HIS 62 -2.897 19.505 42.713 459 H HIS 63 HN HIS 63 0.399 24.584 41.836 460 HA HIS 63 HA HIS 63 2.559 26.343 41.930 461 HB2 HIS 63 HB2 HIS 63 -0.086 26.300 40.599 462 HB3 HIS 63 HB1 HIS 63 0.683 27.881 40.739 463 HD2 HIS 63 HD2 HIS 63 2.162 24.319 39.671 464 HE1 HIS 63 HE1 HIS 63 3.561 27.286 37.012 465 HE2 HIS 63 HE2 HIS 63 3.641 24.812 37.575 466 H HIS 64 HN HIS 64 2.994 28.203 42.990 467 HA HIS 64 HA HIS 64 1.046 29.858 44.222 468 HB2 HIS 64 HB2 HIS 64 1.090 27.800 45.750 469 HB3 HIS 64 HB1 HIS 64 2.713 28.317 46.207 470 HD2 HIS 64 HD2 HIS 64 1.139 28.755 48.781 471 HE1 HIS 64 HE1 HIS 64 -0.122 32.555 47.442 472 HE2 HIS 64 HE2 HIS 64 0.089 31.044 49.472 Start of MODEL 33 1 H1 MET 1 HT1 MET 1 6.962 -43.418 7.816 2 H2 MET 1 HT2 MET 1 8.405 -42.659 8.293 3 H3 MET 1 HT3 MET 1 6.984 -41.748 8.103 4 HA MET 1 HA MET 1 5.951 -42.946 9.939 5 HB2 MET 1 HB2 MET 1 8.442 -44.504 9.622 6 HB3 MET 1 HB1 MET 1 8.006 -44.137 11.291 7 HG2 MET 1 HG2 MET 1 5.763 -45.071 10.930 8 HG3 MET 1 HG1 MET 1 6.161 -45.406 9.245 9 HE1 MET 1 HE1 MET 1 6.491 -49.000 9.879 10 HE2 MET 1 HE2 MET 1 6.530 -47.761 8.626 11 HE3 MET 1 HE3 MET 1 5.238 -47.751 9.825 12 H GLU 2 HN GLU 2 5.754 -41.398 11.430 13 HA GLU 2 HA GLU 2 8.170 -40.029 12.412 14 HB2 GLU 2 HB2 GLU 2 7.127 -37.875 12.219 15 HB3 GLU 2 HB1 GLU 2 7.011 -38.659 10.644 16 HG2 GLU 2 HG2 GLU 2 4.716 -39.544 11.805 17 HG3 GLU 2 HG1 GLU 2 4.872 -37.961 12.566 18 H GLU 3 HN GLU 3 6.459 -38.174 13.878 19 HA GLU 3 HA GLU 3 5.609 -37.987 16.008 20 HB2 GLU 3 HB2 GLU 3 4.093 -40.252 14.780 21 HB3 GLU 3 HB1 GLU 3 3.890 -39.940 16.504 22 HG2 GLU 3 HG2 GLU 3 3.756 -37.626 14.610 23 HG3 GLU 3 HG1 GLU 3 2.367 -38.703 14.721 24 H GLY 4 HN GLY 4 7.891 -38.533 16.652 25 HA2 GLY 4 HA2 GLY 4 8.011 -40.103 18.902 26 HA3 GLY 4 HA1 GLY 4 8.484 -41.179 17.591 27 H GLY 5 HN GLY 5 9.688 -38.992 16.032 28 HA2 GLY 5 HA2 GLY 5 12.302 -39.032 17.291 29 HA3 GLY 5 HA1 GLY 5 11.918 -38.406 15.690 30 H ASP 6 HN ASP 6 12.748 -37.576 18.825 31 HA ASP 6 HA ASP 6 11.424 -34.999 18.907 32 HB2 ASP 6 HB2 ASP 6 11.878 -36.199 20.990 33 HB3 ASP 6 HB1 ASP 6 13.607 -36.172 20.644 34 H PHE 7 HN PHE 7 12.082 -33.522 17.461 35 HA PHE 7 HA PHE 7 14.847 -32.640 17.533 36 HB2 PHE 7 HB2 PHE 7 14.287 -34.523 15.649 37 HB3 PHE 7 HB1 PHE 7 13.912 -33.045 14.762 38 HD1 PHE 7 HD1 PHE 7 16.550 -34.697 16.821 39 HD2 PHE 7 HD2 PHE 7 15.634 -31.643 13.943 40 HE1 PHE 7 HE1 PHE 7 18.972 -34.267 16.505 41 HE2 PHE 7 HE2 PHE 7 18.055 -31.213 13.627 42 HZ PHE 7 HZ PHE 7 19.725 -32.526 14.909 43 H ASP 8 HN ASP 8 14.377 -30.580 18.059 44 HA ASP 8 HA ASP 8 13.018 -28.941 16.081 45 HB2 ASP 8 HB2 ASP 8 11.257 -29.855 17.713 46 HB3 ASP 8 HB1 ASP 8 12.019 -28.823 18.922 47 H ASN 9 HN ASN 9 15.696 -29.011 16.839 48 HA ASN 9 HA ASN 9 15.995 -26.309 17.935 49 HB2 ASN 9 HB2 ASN 9 17.544 -28.689 18.982 50 HB3 ASN 9 HB1 ASN 9 17.779 -27.008 19.457 51 HD21 ASN 9 HD21 ASN 9 15.260 -29.579 19.425 52 HD22 ASN 9 HD22 ASN 9 14.449 -29.003 20.800 53 H TYR 10 HN TYR 10 16.195 -27.074 15.278 54 HA TYR 10 HA TYR 10 18.724 -27.832 14.362 55 HB2 TYR 10 HB2 TYR 10 17.300 -27.765 12.588 56 HB3 TYR 10 HB1 TYR 10 16.394 -26.397 13.234 57 HD1 TYR 10 HD1 TYR 10 19.588 -27.353 11.567 58 HD2 TYR 10 HD2 TYR 10 16.878 -24.171 12.560 59 HE1 TYR 10 HE1 TYR 10 20.851 -25.816 10.087 60 HE2 TYR 10 HE2 TYR 10 18.142 -22.634 11.079 61 HH TYR 10 HH TYR 10 19.647 -22.741 9.175 62 H TYR 11 HN TYR 11 17.434 -24.515 14.688 63 HA TYR 11 HA TYR 11 19.812 -23.165 14.095 64 HB2 TYR 11 HB2 TYR 11 18.785 -21.259 15.346 65 HB3 TYR 11 HB1 TYR 11 17.700 -21.985 14.160 66 HD1 TYR 11 HD2 TYR 11 18.558 -21.884 17.780 67 HD2 TYR 11 HD1 TYR 11 15.666 -23.039 14.820 68 HE1 TYR 11 HE2 TYR 11 16.911 -22.355 19.573 69 HE2 TYR 11 HE1 TYR 11 14.019 -23.511 16.613 70 HH TYR 11 HH TYR 11 14.776 -23.957 19.731 71 H GLY 12 HN GLY 12 20.751 -21.599 15.919 72 HA2 GLY 12 HA2 GLY 12 21.092 -22.728 18.526 73 HA3 GLY 12 HA1 GLY 12 22.486 -23.047 17.498 74 H ALA 13 HN ALA 13 20.984 -20.807 19.542 75 HA ALA 13 HA ALA 13 22.200 -18.421 18.467 76 HB1 ALA 13 HB1 ALA 13 21.471 -17.478 20.733 77 HB2 ALA 13 HB2 ALA 13 20.735 -19.054 21.026 78 HB3 ALA 13 HB3 ALA 13 20.191 -18.065 19.670 79 H ASP 14 HN ASP 14 24.211 -20.215 18.657 80 HA ASP 14 HA ASP 14 25.655 -19.609 21.151 81 HB2 ASP 14 HB2 ASP 14 27.264 -21.356 20.274 82 HB3 ASP 14 HB1 ASP 14 25.649 -21.947 20.661 83 H ASN 15 HN ASN 15 25.340 -17.473 19.385 84 HA ASN 15 HA ASN 15 28.134 -16.911 18.765 85 HB2 ASN 15 HB2 ASN 15 26.905 -17.919 16.703 86 HB3 ASN 15 HB1 ASN 15 26.104 -16.351 16.623 87 HD21 ASN 15 HD21 ASN 15 28.869 -18.026 15.604 88 HD22 ASN 15 HD22 ASN 15 29.834 -16.687 15.207 89 H GLN 16 HN GLN 16 26.878 -15.808 20.831 90 HA GLN 16 HA GLN 16 25.495 -13.372 20.126 91 HB2 GLN 16 HB2 GLN 16 25.267 -13.012 22.441 92 HB3 GLN 16 HB1 GLN 16 25.206 -14.767 22.276 93 HG2 GLN 16 HG2 GLN 16 27.488 -13.051 23.247 94 HG3 GLN 16 HG1 GLN 16 26.726 -14.423 24.049 95 HE21 GLN 16 HE21 GLN 16 27.003 -16.599 22.811 96 HE22 GLN 16 HE22 GLN 16 28.496 -16.853 22.045 97 H SER 17 HN SER 17 28.472 -14.082 19.442 98 HA SER 17 HA SER 17 30.010 -12.033 20.728 99 HB2 SER 17 HB2 SER 17 30.460 -13.865 18.389 100 HB3 SER 17 HB1 SER 17 31.584 -12.551 18.723 101 HG SER 17 HG SER 17 32.345 -13.698 20.300 102 H GLU 18 HN GLU 18 28.745 -10.138 20.419 103 HA GLU 18 HA GLU 18 28.339 -9.190 17.686 104 HB2 GLU 18 HB2 GLU 18 26.649 -8.921 19.600 105 HB3 GLU 18 HB1 GLU 18 27.727 -7.667 20.214 106 HG2 GLU 18 HG2 GLU 18 27.550 -6.979 17.569 107 HG3 GLU 18 HG1 GLU 18 25.939 -7.626 17.869 108 H CYS 19 HN CYS 19 30.917 -9.381 17.788 109 HA CYS 19 HA CYS 19 31.860 -6.614 18.151 110 HB2 CYS 19 HB2 CYS 19 32.532 -8.235 20.066 111 HB3 CYS 19 HB1 CYS 19 33.633 -8.931 18.877 112 HG CYS 19 HG CYS 19 34.512 -6.333 18.593 113 H GLU 20 HN GLU 20 31.191 -8.810 15.982 114 HA GLU 20 HA GLU 20 33.712 -8.638 14.470 115 HB2 GLU 20 HB2 GLU 20 32.036 -10.765 14.857 116 HB3 GLU 20 HB1 GLU 20 31.475 -10.150 13.302 117 HG2 GLU 20 HG2 GLU 20 33.823 -10.167 12.479 118 HG3 GLU 20 HG1 GLU 20 34.333 -10.870 14.012 119 H TYR 21 HN TYR 21 30.268 -7.860 14.292 120 HA TYR 21 HA TYR 21 30.412 -6.745 11.650 121 HB2 TYR 21 HB2 TYR 21 28.168 -6.679 11.814 122 HB3 TYR 21 HB1 TYR 21 28.368 -7.523 13.350 123 HD1 TYR 21 HD1 TYR 21 28.632 -6.157 15.477 124 HD2 TYR 21 HD2 TYR 21 27.401 -4.433 11.740 125 HE1 TYR 21 HE1 TYR 21 27.746 -4.178 16.681 126 HE2 TYR 21 HE2 TYR 21 26.516 -2.454 12.944 127 HH TYR 21 HH TYR 21 26.136 -2.397 16.352 128 H THR 22 HN THR 22 31.540 -5.691 14.611 129 HA THR 22 HA THR 22 31.183 -2.840 13.961 130 HB THR 22 HB THR 22 32.372 -3.984 16.489 131 HG1 THR 22 HG1 THR 22 29.708 -3.652 15.668 132 HG21 THR 22 HG21 THR 22 32.721 -1.573 15.982 133 HG22 THR 22 HG22 THR 22 31.714 -1.818 17.410 134 HG23 THR 22 HG23 THR 22 30.972 -1.366 15.875 135 H ASP 23 HN ASP 23 33.527 -5.386 14.098 136 HA ASP 23 HA ASP 23 35.761 -3.495 13.839 137 HB2 ASP 23 HB2 ASP 23 35.985 -5.393 15.419 138 HB3 ASP 23 HB1 ASP 23 35.793 -6.513 14.071 139 H TRP 24 HN TRP 24 33.721 -3.949 11.726 140 HA TRP 24 HA TRP 24 34.785 -5.541 9.648 141 HB2 TRP 24 HB2 TRP 24 33.357 -3.836 8.222 142 HB3 TRP 24 HB1 TRP 24 32.570 -5.004 9.279 143 HD1 TRP 24 HD1 TRP 24 34.335 -1.989 10.783 144 HE1 TRP 24 HE1 TRP 24 32.576 -0.431 11.841 145 HE3 TRP 24 HE3 TRP 24 30.059 -4.233 9.120 146 HZ2 TRP 24 HZ2 TRP 24 29.730 -0.172 11.966 147 HZ3 TRP 24 HZ3 TRP 24 27.839 -3.309 9.724 148 HH2 TRP 24 HH2 TRP 24 27.670 -1.283 11.143 149 H LYS 25 HN LYS 25 34.341 -2.298 8.617 150 HA LYS 25 HA LYS 25 37.150 -2.185 7.789 151 HB2 LYS 25 HB2 LYS 25 36.350 -0.248 6.401 152 HB3 LYS 25 HB1 LYS 25 35.580 -1.788 6.017 153 HG2 LYS 25 HG2 LYS 25 33.552 -0.963 6.535 154 HG3 LYS 25 HG1 LYS 25 34.122 -0.457 8.126 155 HD2 LYS 25 HD2 LYS 25 35.079 1.594 7.119 156 HD3 LYS 25 HD1 LYS 25 34.460 1.097 5.545 157 HE2 LYS 25 HE2 LYS 25 32.185 1.263 6.290 158 HE3 LYS 25 HE1 LYS 25 32.686 1.453 7.970 159 HZ1 LYS 25 HZ1 LYS 25 32.342 3.438 6.014 160 HZ2 LYS 25 HZ2 LYS 25 33.977 3.416 6.473 161 HZ3 LYS 25 HZ3 LYS 25 32.765 3.626 7.646 162 H SER 26 HN SER 26 37.060 -1.850 10.436 163 HA SER 26 HA SER 26 37.074 1.055 10.942 164 HB2 SER 26 HB2 SER 26 36.827 -1.359 12.711 165 HB3 SER 26 HB1 SER 26 37.363 0.180 13.377 166 HG SER 26 HG SER 26 35.403 0.983 12.126 167 H SER 27 HN SER 27 38.937 -1.581 12.422 168 HA SER 27 HA SER 27 41.439 -0.839 11.292 169 HB2 SER 27 HB2 SER 27 40.719 0.306 13.982 170 HB3 SER 27 HB1 SER 27 42.394 -0.001 13.530 171 HG SER 27 HG SER 27 41.842 1.250 11.571 172 H GLY 28 HN GLY 28 39.734 -3.161 12.093 173 HA2 GLY 28 HA2 GLY 28 40.112 -5.328 12.779 174 HA3 GLY 28 HA1 GLY 28 41.817 -4.909 12.921 175 H ALA 29 HN ALA 29 39.522 -2.987 14.643 176 HA ALA 29 HA ALA 29 39.389 -2.545 16.910 177 HB1 ALA 29 HB1 ALA 29 39.040 -5.551 16.835 178 HB2 ALA 29 HB2 ALA 29 37.766 -4.338 16.710 179 HB3 ALA 29 HB3 ALA 29 38.652 -4.535 18.223 180 H LEU 30 HN LEU 30 41.489 -1.800 17.331 181 HA LEU 30 HA LEU 30 42.974 -3.389 19.198 182 HB2 LEU 30 HB2 LEU 30 45.129 -3.090 17.704 183 HB3 LEU 30 HB1 LEU 30 44.067 -4.474 17.468 184 HG LEU 30 HG LEU 30 42.935 -3.350 15.624 185 HD11 LEU 30 HD11 LEU 30 43.984 -1.141 14.830 186 HD12 LEU 30 HD12 LEU 30 44.708 -1.040 16.434 187 HD13 LEU 30 HD13 LEU 30 42.953 -1.058 16.258 188 HD21 LEU 30 HD21 LEU 30 44.934 -3.071 14.082 189 HD22 LEU 30 HD22 LEU 30 44.890 -4.593 14.972 190 HD23 LEU 30 HD23 LEU 30 45.961 -3.295 15.498 191 H ILE 31 HN ILE 31 41.661 -0.851 19.141 192 HA ILE 31 HA ILE 31 43.363 0.748 20.586 193 HB ILE 31 HB ILE 31 43.961 0.958 17.767 194 HG12 ILE 31 HG12 ILE 31 45.573 0.872 19.678 195 HG13 ILE 31 HG11 ILE 31 45.855 2.240 18.609 196 HG21 ILE 31 HG21 ILE 31 43.937 3.429 17.575 197 HG22 ILE 31 HG22 ILE 31 43.025 3.541 19.075 198 HG23 ILE 31 HG23 ILE 31 42.308 2.772 17.659 199 HD11 ILE 31 HD11 ILE 31 45.437 2.309 21.399 200 HD12 ILE 31 HD12 ILE 31 43.975 2.983 20.681 201 HD13 ILE 31 HD13 ILE 31 45.548 3.685 20.304 202 HA PRO 32 HA PRO 32 39.480 3.229 19.072 203 HB2 PRO 32 HB2 PRO 32 37.801 1.137 17.855 204 HB3 PRO 32 HB1 PRO 32 38.219 2.745 17.236 205 HG2 PRO 32 HG2 PRO 32 39.194 0.491 16.155 206 HG3 PRO 32 HG1 PRO 32 40.121 2.001 16.206 207 HD2 PRO 32 HD2 PRO 32 40.366 -0.423 17.960 208 HD3 PRO 32 HD1 PRO 32 41.649 0.606 17.280 209 H ALA 33 HN ALA 33 39.250 -0.148 20.056 210 HA ALA 33 HA ALA 33 36.834 0.041 21.527 211 HB1 ALA 33 HB1 ALA 33 38.110 -1.941 22.816 212 HB2 ALA 33 HB2 ALA 33 39.099 -1.875 21.358 213 HB3 ALA 33 HB3 ALA 33 37.365 -2.165 21.233 214 H ILE 34 HN ILE 34 40.115 0.958 22.215 215 HA ILE 34 HA ILE 34 39.712 1.179 25.076 216 HB ILE 34 HB ILE 34 41.952 1.924 23.200 217 HG12 ILE 34 HG12 ILE 34 42.037 0.163 25.649 218 HG13 ILE 34 HG11 ILE 34 41.452 -0.466 24.108 219 HG21 ILE 34 HG21 ILE 34 42.118 3.679 24.751 220 HG22 ILE 34 HG22 ILE 34 43.140 2.435 25.470 221 HG23 ILE 34 HG23 ILE 34 41.505 2.692 26.078 222 HD11 ILE 34 HD11 ILE 34 44.016 -0.643 24.725 223 HD12 ILE 34 HD12 ILE 34 44.050 1.030 24.167 224 HD13 ILE 34 HD13 ILE 34 43.525 -0.252 23.076 225 H TYR 35 HN TYR 35 39.363 3.173 22.262 226 HA TYR 35 HA TYR 35 39.439 5.708 23.584 227 HB2 TYR 35 HB2 TYR 35 39.175 4.753 20.918 228 HB3 TYR 35 HB1 TYR 35 37.796 5.802 21.246 229 HD1 TYR 35 HD1 TYR 35 38.299 8.080 22.400 230 HD2 TYR 35 HD2 TYR 35 41.268 5.692 20.415 231 HE1 TYR 35 HE1 TYR 35 39.760 10.072 22.189 232 HE2 TYR 35 HE2 TYR 35 42.729 7.684 20.204 233 HH TYR 35 HH TYR 35 42.094 10.615 21.883 234 H MET 36 HN MET 36 36.818 3.549 22.530 235 HA MET 36 HA MET 36 34.709 5.212 23.474 236 HB2 MET 36 HB2 MET 36 33.298 3.213 23.169 237 HB3 MET 36 HB1 MET 36 34.341 3.481 21.773 238 HG2 MET 36 HG2 MET 36 35.966 1.844 22.722 239 HG3 MET 36 HG1 MET 36 34.832 1.518 24.030 240 HE1 MET 36 HE1 MET 36 33.782 2.031 20.015 241 HE2 MET 36 HE2 MET 36 34.609 0.527 19.618 242 HE3 MET 36 HE3 MET 36 35.486 1.817 20.437 243 H LEU 37 HN LEU 37 36.634 2.639 24.897 244 HA LEU 37 HA LEU 37 35.134 2.045 27.159 245 HB2 LEU 37 HB2 LEU 37 37.225 0.871 26.453 246 HB3 LEU 37 HB1 LEU 37 38.152 2.263 27.009 247 HG LEU 37 HG LEU 37 37.204 1.954 29.293 248 HD11 LEU 37 HD11 LEU 37 36.247 -0.530 29.518 249 HD12 LEU 37 HD12 LEU 37 35.732 -0.220 27.861 250 HD13 LEU 37 HD13 LEU 37 35.188 0.834 29.166 251 HD21 LEU 37 HD21 LEU 37 38.465 -0.142 29.801 252 HD22 LEU 37 HD22 LEU 37 39.368 0.961 28.762 253 HD23 LEU 37 HD23 LEU 37 38.579 -0.457 28.070 254 H VAL 38 HN VAL 38 36.913 4.904 26.359 255 HA VAL 38 HA VAL 38 36.666 5.922 29.113 256 HB VAL 38 HB VAL 38 38.210 7.023 26.753 257 HG11 VAL 38 HG11 VAL 38 37.793 8.891 28.089 258 HG12 VAL 38 HG12 VAL 38 39.295 8.288 28.789 259 HG13 VAL 38 HG13 VAL 38 37.755 7.944 29.577 260 HG21 VAL 38 HG21 VAL 38 38.926 5.291 29.112 261 HG22 VAL 38 HG22 VAL 38 40.135 6.349 28.387 262 HG23 VAL 38 HG23 VAL 38 39.371 5.090 27.418 263 H PHE 39 HN PHE 39 34.970 5.887 26.273 264 HA PHE 39 HA PHE 39 34.044 8.648 26.353 265 HB2 PHE 39 HB2 PHE 39 34.350 7.429 24.196 266 HB3 PHE 39 HB1 PHE 39 33.048 6.338 24.672 267 HD1 PHE 39 HD2 PHE 39 33.738 10.025 24.478 268 HD2 PHE 39 HD1 PHE 39 30.888 6.852 23.956 269 HE1 PHE 39 HE2 PHE 39 32.066 11.661 23.653 270 HE2 PHE 39 HE1 PHE 39 29.219 8.488 23.131 271 HZ PHE 39 HZ PHE 39 29.807 10.892 22.978 272 H LEU 40 HN LEU 40 33.482 6.095 28.256 273 HA LEU 40 HA LEU 40 30.633 6.793 28.667 274 HB2 LEU 40 HB2 LEU 40 30.295 4.501 29.490 275 HB3 LEU 40 HB1 LEU 40 30.880 4.495 27.825 276 HG LEU 40 HG LEU 40 33.226 4.496 29.286 277 HD11 LEU 40 HD11 LEU 40 31.719 4.084 31.316 278 HD12 LEU 40 HD12 LEU 40 33.023 2.924 31.069 279 HD13 LEU 40 HD13 LEU 40 31.373 2.506 30.609 280 HD21 LEU 40 HD21 LEU 40 31.574 2.267 28.076 281 HD22 LEU 40 HD22 LEU 40 33.202 1.998 28.698 282 HD23 LEU 40 HD23 LEU 40 32.944 3.115 27.358 283 H LEU 41 HN LEU 41 33.784 6.416 30.023 284 HA LEU 41 HA LEU 41 33.465 6.009 32.685 285 HB2 LEU 41 HB2 LEU 41 35.317 7.591 31.050 286 HB3 LEU 41 HB1 LEU 41 35.180 8.155 32.715 287 HG LEU 41 HG LEU 41 35.645 5.888 33.539 288 HD11 LEU 41 HD11 LEU 41 35.125 4.183 32.154 289 HD12 LEU 41 HD12 LEU 41 36.632 4.533 31.308 290 HD13 LEU 41 HD13 LEU 41 35.120 5.243 30.744 291 HD21 LEU 41 HD21 LEU 41 37.453 7.629 32.357 292 HD22 LEU 41 HD22 LEU 41 37.855 6.077 31.620 293 HD23 LEU 41 HD23 LEU 41 37.877 6.252 33.375 294 H GLY 42 HN GLY 42 32.546 8.895 30.893 295 HA2 GLY 42 HA2 GLY 42 30.487 9.722 32.497 296 HA3 GLY 42 HA1 GLY 42 31.912 10.457 33.224 297 H THR 43 HN THR 43 30.742 9.922 29.889 298 HA THR 43 HA THR 43 31.537 12.684 29.243 299 HB THR 43 HB THR 43 31.421 11.971 26.902 300 HG1 THR 43 HG1 THR 43 30.844 9.885 26.409 301 HG21 THR 43 HG21 THR 43 33.424 10.836 26.941 302 HG22 THR 43 HG22 THR 43 32.889 9.720 28.197 303 HG23 THR 43 HG23 THR 43 33.373 11.363 28.623 304 H THR 44 HN THR 44 29.292 11.133 27.177 305 HA THR 44 HA THR 44 27.435 13.107 27.002 306 HB THR 44 HB THR 44 25.813 11.413 26.297 307 HG1 THR 44 HG1 THR 44 25.972 9.759 27.643 308 HG21 THR 44 HG21 THR 44 28.543 10.466 25.429 309 HG22 THR 44 HG22 THR 44 27.900 12.028 24.922 310 HG23 THR 44 HG23 THR 44 27.059 10.543 24.479 311 H GLY 45 HN GLY 45 26.630 10.212 28.909 312 HA2 GLY 45 HA2 GLY 45 25.560 11.958 31.035 313 HA3 GLY 45 HA1 GLY 45 24.546 10.698 30.340 314 H ASN 46 HN ASN 46 25.528 8.454 30.382 315 HA ASN 46 HA ASN 46 26.041 6.696 31.799 316 HB2 ASN 46 HB2 ASN 46 28.484 8.439 31.696 317 HB3 ASN 46 HB1 ASN 46 28.482 6.964 32.662 318 HD21 ASN 46 HD21 ASN 46 28.183 8.200 29.334 319 HD22 ASN 46 HD22 ASN 46 28.471 6.707 28.580 320 H GLY 47 HN GLY 47 24.506 7.006 33.448 321 HA2 GLY 47 HA2 GLY 47 25.404 7.121 36.053 322 HA3 GLY 47 HA1 GLY 47 24.937 8.772 35.656 323 H LEU 48 HN LEU 48 22.714 8.809 34.408 324 HA LEU 48 HA LEU 48 20.843 6.881 35.612 325 HB2 LEU 48 HB2 LEU 48 21.106 9.149 36.899 326 HB3 LEU 48 HB1 LEU 48 20.134 9.793 35.575 327 HG LEU 48 HG LEU 48 18.640 7.655 36.095 328 HD11 LEU 48 HD11 LEU 48 19.566 8.292 38.881 329 HD12 LEU 48 HD12 LEU 48 20.449 7.099 37.927 330 HD13 LEU 48 HD13 LEU 48 18.740 6.853 38.284 331 HD21 LEU 48 HD21 LEU 48 17.858 9.976 36.210 332 HD22 LEU 48 HD22 LEU 48 18.670 10.194 37.760 333 HD23 LEU 48 HD23 LEU 48 17.301 9.091 37.631 334 H VAL 49 HN VAL 49 21.985 8.379 32.912 335 HA VAL 49 HA VAL 49 19.528 8.857 31.498 336 HB VAL 49 HB VAL 49 22.284 8.424 30.330 337 HG11 VAL 49 HG11 VAL 49 21.359 9.957 28.575 338 HG12 VAL 49 HG12 VAL 49 19.796 9.879 29.387 339 HG13 VAL 49 HG13 VAL 49 20.496 8.423 28.681 340 HG21 VAL 49 HG21 VAL 49 21.067 10.717 31.815 341 HG22 VAL 49 HG22 VAL 49 22.065 11.088 30.409 342 HG23 VAL 49 HG23 VAL 49 22.747 10.183 31.761 343 H LEU 50 HN LEU 50 21.838 6.202 31.744 344 HA LEU 50 HA LEU 50 20.581 4.629 29.687 345 HB2 LEU 50 HB2 LEU 50 22.052 2.890 31.313 346 HB3 LEU 50 HB1 LEU 50 22.589 3.636 29.810 347 HG LEU 50 HG LEU 50 23.407 5.602 31.118 348 HD11 LEU 50 HD11 LEU 50 22.863 5.869 33.296 349 HD12 LEU 50 HD12 LEU 50 23.473 4.263 33.688 350 HD13 LEU 50 HD13 LEU 50 21.808 4.464 33.150 351 HD21 LEU 50 HD21 LEU 50 24.423 2.838 31.807 352 HD22 LEU 50 HD22 LEU 50 25.269 4.305 32.297 353 HD23 LEU 50 HD23 LEU 50 25.043 3.947 30.585 354 H TRP 51 HN TRP 51 19.842 5.344 32.903 355 HA TRP 51 HA TRP 51 18.711 2.866 33.735 356 HB2 TRP 51 HB2 TRP 51 18.744 4.053 35.640 357 HB3 TRP 51 HB1 TRP 51 18.927 5.571 34.760 358 HD1 TRP 51 HD1 TRP 51 16.671 6.795 33.937 359 HE1 TRP 51 HE1 TRP 51 14.274 6.718 34.882 360 HE3 TRP 51 HE3 TRP 51 16.996 2.593 36.822 361 HZ2 TRP 51 HZ2 TRP 51 12.702 5.089 36.632 362 HZ3 TRP 51 HZ3 TRP 51 15.036 1.803 38.116 363 HH2 TRP 51 HH2 TRP 51 12.892 3.043 38.025 364 H THR 52 HN THR 52 17.372 5.766 32.188 365 HA THR 52 HA THR 52 14.670 4.885 32.189 366 HB THR 52 HB THR 52 16.192 6.960 30.628 367 HG1 THR 52 HG1 THR 52 15.606 7.957 32.369 368 HG21 THR 52 HG21 THR 52 13.417 5.902 30.183 369 HG22 THR 52 HG22 THR 52 14.626 6.389 28.995 370 HG23 THR 52 HG23 THR 52 13.752 7.613 29.915 371 H VAL 53 HN VAL 53 17.261 4.727 29.762 372 HA VAL 53 HA VAL 53 15.770 3.589 27.675 373 HB VAL 53 HB VAL 53 18.682 3.051 28.287 374 HG11 VAL 53 HG11 VAL 53 17.007 3.038 25.760 375 HG12 VAL 53 HG12 VAL 53 17.833 1.665 26.498 376 HG13 VAL 53 HG13 VAL 53 18.770 2.966 25.765 377 HG21 VAL 53 HG21 VAL 53 19.022 5.061 26.762 378 HG22 VAL 53 HG22 VAL 53 18.387 5.437 28.364 379 HG23 VAL 53 HG23 VAL 53 17.305 5.408 26.971 380 H PHE 54 HN PHE 54 17.612 2.057 30.298 381 HA PHE 54 HA PHE 54 17.318 -0.610 29.540 382 HB2 PHE 54 HB2 PHE 54 18.447 0.688 31.666 383 HB3 PHE 54 HB1 PHE 54 17.074 -0.111 32.430 384 HD1 PHE 54 HD2 PHE 54 16.697 -2.626 31.781 385 HD2 PHE 54 HD1 PHE 54 20.412 -0.528 31.275 386 HE1 PHE 54 HE2 PHE 54 17.909 -4.788 31.707 387 HE2 PHE 54 HE1 PHE 54 21.623 -2.691 31.202 388 HZ PHE 54 HZ PHE 54 20.371 -4.821 31.417 389 H ARG 55 HN ARG 55 15.097 1.528 31.257 390 HA ARG 55 HA ARG 55 13.196 -0.524 31.889 391 HB2 ARG 55 HB2 ARG 55 12.887 2.487 31.771 392 HB3 ARG 55 HB1 ARG 55 11.711 1.369 32.463 393 HG2 ARG 55 HG2 ARG 55 14.298 0.784 33.562 394 HG3 ARG 55 HG1 ARG 55 13.978 2.510 33.741 395 HD2 ARG 55 HD2 ARG 55 13.103 1.272 35.675 396 HD3 ARG 55 HD1 ARG 55 11.786 1.996 34.757 397 HE ARG 55 HE ARG 55 12.324 -0.683 33.893 398 HH11 ARG 55 HH21 ARG 55 10.844 1.249 36.353 399 HH12 ARG 55 HH22 ARG 55 9.671 0.050 36.784 400 HH21 ARG 55 HH11 ARG 55 10.789 -2.260 34.451 401 HH22 ARG 55 HH12 ARG 55 9.640 -1.938 35.707 402 H LYS 56 HN LYS 56 13.391 2.007 29.397 403 HA LYS 56 HA LYS 56 11.020 1.781 28.093 404 HB2 LYS 56 HB2 LYS 56 13.632 2.679 27.427 405 HB3 LYS 56 HB1 LYS 56 13.056 1.696 26.081 406 HG2 LYS 56 HG2 LYS 56 12.342 3.984 25.713 407 HG3 LYS 56 HG1 LYS 56 10.920 3.020 26.112 408 HD2 LYS 56 HD2 LYS 56 11.933 3.894 28.585 409 HD3 LYS 56 HD1 LYS 56 12.038 5.296 27.522 410 HE2 LYS 56 HE2 LYS 56 9.644 4.852 26.845 411 HE3 LYS 56 HE1 LYS 56 9.578 3.633 28.117 412 HZ1 LYS 56 HZ1 LYS 56 10.408 6.425 28.641 413 HZ2 LYS 56 HZ2 LYS 56 9.935 5.241 29.765 414 HZ3 LYS 56 HZ3 LYS 56 8.786 5.934 28.723 415 H LYS 57 HN LYS 57 13.857 -0.197 27.197 416 HA LYS 57 HA LYS 57 12.281 -2.021 25.650 417 HB2 LYS 57 HB2 LYS 57 15.107 -2.320 26.698 418 HB3 LYS 57 HB1 LYS 57 14.362 -3.291 25.427 419 HG2 LYS 57 HG2 LYS 57 14.773 -1.713 23.871 420 HG3 LYS 57 HG1 LYS 57 14.079 -0.447 24.884 421 HD2 LYS 57 HD2 LYS 57 16.152 -0.139 26.062 422 HD3 LYS 57 HD1 LYS 57 16.855 -1.576 25.316 423 HE2 LYS 57 HE2 LYS 57 15.872 0.286 23.307 424 HE3 LYS 57 HE1 LYS 57 17.057 1.049 24.367 425 HZ1 LYS 57 HZ1 LYS 57 18.410 0.069 22.830 426 HZ2 LYS 57 HZ2 LYS 57 17.371 -1.250 22.572 427 HZ3 LYS 57 HZ3 LYS 57 18.325 -1.177 23.977 428 H GLY 58 HN GLY 58 11.178 -1.820 28.212 429 HA2 GLY 58 HA2 GLY 58 11.930 -3.684 30.119 430 HA3 GLY 58 HA1 GLY 58 10.264 -3.202 29.814 431 H HIS 59 HN HIS 59 10.003 -4.165 27.180 432 HA HIS 59 HA HIS 59 9.265 -6.843 27.635 433 HB2 HIS 59 HB2 HIS 59 9.834 -5.635 24.927 434 HB3 HIS 59 HB1 HIS 59 8.699 -6.926 25.321 435 HD2 HIS 59 HD2 HIS 59 6.764 -5.741 27.491 436 HE1 HIS 59 HE1 HIS 59 6.633 -2.146 25.280 437 HE2 HIS 59 HE2 HIS 59 5.492 -3.494 27.105 438 H HIS 60 HN HIS 60 11.980 -5.517 25.733 439 HA HIS 60 HA HIS 60 13.869 -6.553 24.897 440 HB2 HIS 60 HB2 HIS 60 14.209 -6.253 27.444 441 HB3 HIS 60 HB1 HIS 60 13.960 -7.997 27.535 442 HD2 HIS 60 HD2 HIS 60 16.179 -5.932 24.932 443 HE1 HIS 60 HE1 HIS 60 18.510 -9.017 26.627 444 HE2 HIS 60 HE2 HIS 60 18.505 -7.117 24.941 445 H HIS 61 HN HIS 61 11.263 -7.998 24.562 446 HA HIS 61 HA HIS 61 12.151 -10.799 24.553 447 HB2 HIS 61 HB2 HIS 61 9.983 -11.336 24.820 448 HB3 HIS 61 HB1 HIS 61 9.704 -9.622 25.125 449 HD2 HIS 61 HD2 HIS 61 9.220 -8.163 22.511 450 HE1 HIS 61 HE1 HIS 61 7.447 -11.597 20.813 451 HE2 HIS 61 HE2 HIS 61 7.752 -9.089 20.561 452 H HIS 62 HN HIS 62 12.330 -8.183 22.559 453 HA HIS 62 HA HIS 62 11.478 -9.060 20.050 454 HB2 HIS 62 HB2 HIS 62 12.401 -6.764 20.723 455 HB3 HIS 62 HB1 HIS 62 14.001 -7.464 20.475 456 HD2 HIS 62 HD2 HIS 62 10.824 -6.531 18.324 457 HE1 HIS 62 HE1 HIS 62 14.004 -7.423 15.696 458 HE2 HIS 62 HE2 HIS 62 11.622 -6.557 15.838 459 H HIS 63 HN HIS 63 14.728 -9.355 21.501 460 HA HIS 63 HA HIS 63 15.905 -10.842 19.442 461 HB2 HIS 63 HB2 HIS 63 17.556 -11.533 21.126 462 HB3 HIS 63 HB1 HIS 63 17.189 -9.814 21.274 463 HD2 HIS 63 HD2 HIS 63 17.077 -9.331 23.991 464 HE1 HIS 63 HE1 HIS 63 14.893 -12.763 25.123 465 HE2 HIS 63 HE2 HIS 63 15.935 -10.604 25.964 466 H HIS 64 HN HIS 64 16.764 -13.180 19.953 467 HA HIS 64 HA HIS 64 16.193 -15.410 19.897 468 HB2 HIS 64 HB2 HIS 64 14.417 -14.781 22.252 469 HB3 HIS 64 HB1 HIS 64 15.293 -16.273 21.912 470 HD2 HIS 64 HD2 HIS 64 18.137 -14.345 21.190 471 HE1 HIS 64 HE1 HIS 64 17.941 -13.757 25.367 472 HE2 HIS 64 HE2 HIS 64 19.435 -13.572 23.321 Start of MODEL 34 1 H1 MET 1 HT1 MET 1 74.881 4.867 -1.171 2 H2 MET 1 HT2 MET 1 74.761 6.311 -0.284 3 H3 MET 1 HT3 MET 1 75.985 6.125 -1.448 4 HA MET 1 HA MET 1 74.518 7.380 -2.635 5 HB2 MET 1 HB2 MET 1 73.428 4.577 -3.030 6 HB3 MET 1 HB1 MET 1 73.370 5.902 -4.192 7 HG2 MET 1 HG2 MET 1 75.818 5.932 -4.318 8 HG3 MET 1 HG1 MET 1 75.913 4.659 -3.102 9 HE1 MET 1 HE1 MET 1 76.974 2.776 -4.056 10 HE2 MET 1 HE2 MET 1 76.045 1.601 -4.983 11 HE3 MET 1 HE3 MET 1 75.412 2.202 -3.453 12 H GLU 2 HN GLU 2 73.557 6.935 0.184 13 HA GLU 2 HA GLU 2 71.644 7.180 1.447 14 HB2 GLU 2 HB2 GLU 2 70.774 8.766 -0.981 15 HB3 GLU 2 HB1 GLU 2 70.145 8.927 0.660 16 HG2 GLU 2 HG2 GLU 2 71.810 10.338 1.191 17 HG3 GLU 2 HG1 GLU 2 73.007 9.123 0.745 18 H GLU 3 HN GLU 3 71.179 4.864 1.150 19 HA GLU 3 HA GLU 3 68.971 4.302 -0.714 20 HB2 GLU 3 HB2 GLU 3 70.875 2.545 0.829 21 HB3 GLU 3 HB1 GLU 3 69.422 1.900 0.065 22 HG2 GLU 3 HG2 GLU 3 71.238 3.646 -1.554 23 HG3 GLU 3 HG1 GLU 3 71.717 1.976 -1.258 24 H GLY 4 HN GLY 4 67.935 5.868 1.081 25 HA2 GLY 4 HA2 GLY 4 65.801 4.689 2.229 26 HA3 GLY 4 HA1 GLY 4 67.044 4.457 3.455 27 H GLY 5 HN GLY 5 68.466 6.762 3.383 28 HA2 GLY 5 HA2 GLY 5 68.295 9.138 3.542 29 HA3 GLY 5 HA1 GLY 5 66.545 8.974 3.668 30 H ASP 6 HN ASP 6 65.971 9.752 5.603 31 HA ASP 6 HA ASP 6 67.018 8.473 7.998 32 HB2 ASP 6 HB2 ASP 6 68.510 10.115 8.399 33 HB3 ASP 6 HB1 ASP 6 67.807 11.170 7.175 34 H PHE 7 HN PHE 7 65.623 8.626 9.758 35 HA PHE 7 HA PHE 7 62.918 9.546 9.082 36 HB2 PHE 7 HB2 PHE 7 63.673 7.205 10.135 37 HB3 PHE 7 HB1 PHE 7 63.488 8.120 11.632 38 HD1 PHE 7 HD2 PHE 7 61.294 9.437 11.965 39 HD2 PHE 7 HD1 PHE 7 61.782 6.352 9.017 40 HE1 PHE 7 HE2 PHE 7 58.831 9.192 11.814 41 HE2 PHE 7 HE1 PHE 7 59.319 6.107 8.865 42 HZ PHE 7 HZ PHE 7 57.843 7.528 10.264 43 H ASP 8 HN ASP 8 62.319 11.503 9.731 44 HA ASP 8 HA ASP 8 63.021 12.408 12.425 45 HB2 ASP 8 HB2 ASP 8 64.717 13.249 10.638 46 HB3 ASP 8 HB1 ASP 8 63.407 14.316 10.136 47 H ASN 9 HN ASN 9 60.564 11.496 11.517 48 HA ASN 9 HA ASN 9 58.940 13.875 11.926 49 HB2 ASN 9 HB2 ASN 9 59.341 13.474 9.382 50 HB3 ASN 9 HB1 ASN 9 58.215 12.133 9.591 51 HD21 ASN 9 HD21 ASN 9 56.019 12.720 10.520 52 HD22 ASN 9 HD22 ASN 9 55.401 14.271 10.212 53 H TYR 10 HN TYR 10 59.156 12.119 13.829 54 HA TYR 10 HA TYR 10 57.676 9.757 13.780 55 HB2 TYR 10 HB2 TYR 10 58.251 11.719 16.001 56 HB3 TYR 10 HB1 TYR 10 57.375 10.213 16.276 57 HD1 TYR 10 HD2 TYR 10 58.490 8.026 15.433 58 HD2 TYR 10 HD1 TYR 10 60.601 11.728 15.974 59 HE1 TYR 10 HE2 TYR 10 60.638 6.789 15.515 60 HE2 TYR 10 HE1 TYR 10 62.750 10.491 16.056 61 HH TYR 10 HH TYR 10 63.055 7.276 15.085 62 H TYR 11 HN TYR 11 56.436 12.447 15.695 63 HA TYR 11 HA TYR 11 53.745 11.723 15.427 64 HB2 TYR 11 HB2 TYR 11 54.687 14.548 15.901 65 HB3 TYR 11 HB1 TYR 11 53.227 13.768 16.509 66 HD1 TYR 11 HD2 TYR 11 53.509 11.755 18.089 67 HD2 TYR 11 HD1 TYR 11 56.689 14.487 17.151 68 HE1 TYR 11 HE2 TYR 11 54.743 11.012 20.107 69 HE2 TYR 11 HE1 TYR 11 57.922 13.743 19.169 70 HH TYR 11 HH TYR 11 56.682 11.115 21.217 71 H GLY 12 HN GLY 12 52.179 12.183 13.976 72 HA2 GLY 12 HA2 GLY 12 52.469 14.309 12.031 73 HA3 GLY 12 HA1 GLY 12 52.584 12.690 11.348 74 H ALA 13 HN ALA 13 50.496 14.890 13.157 75 HA ALA 13 HA ALA 13 48.191 13.181 13.059 76 HB1 ALA 13 HB1 ALA 13 48.687 15.107 14.709 77 HB2 ALA 13 HB2 ALA 13 47.037 14.939 14.110 78 HB3 ALA 13 HB3 ALA 13 48.102 16.167 13.426 79 H ASP 14 HN ASP 14 49.021 13.082 10.542 80 HA ASP 14 HA ASP 14 47.650 15.114 8.952 81 HB2 ASP 14 HB2 ASP 14 49.353 12.730 8.213 82 HB3 ASP 14 HB1 ASP 14 48.567 13.768 7.026 83 H ASN 15 HN ASN 15 45.653 14.165 10.224 84 HA ASN 15 HA ASN 15 44.355 12.254 8.389 85 HB2 ASN 15 HB2 ASN 15 44.557 12.124 11.379 86 HB3 ASN 15 HB1 ASN 15 43.137 11.470 10.565 87 HD21 ASN 15 HD21 ASN 15 43.666 9.228 10.962 88 HD22 ASN 15 HD22 ASN 15 45.004 8.477 10.237 89 H GLN 16 HN GLN 16 43.108 13.603 11.374 90 HA GLN 16 HA GLN 16 41.002 14.596 11.661 91 HB2 GLN 16 HB2 GLN 16 41.286 17.045 10.958 92 HB3 GLN 16 HB1 GLN 16 42.476 16.377 12.074 93 HG2 GLN 16 HG2 GLN 16 44.042 15.996 10.250 94 HG3 GLN 16 HG1 GLN 16 42.846 16.533 9.070 95 HE21 GLN 16 HE21 GLN 16 45.234 17.599 11.387 96 HE22 GLN 16 HE22 GLN 16 45.039 19.264 11.113 97 H SER 17 HN SER 17 40.597 12.949 9.534 98 HA SER 17 HA SER 17 38.796 14.573 7.878 99 HB2 SER 17 HB2 SER 17 41.139 13.041 6.925 100 HB3 SER 17 HB1 SER 17 39.651 12.807 6.014 101 HG SER 17 HG SER 17 41.172 14.677 5.522 102 H GLU 18 HN GLU 18 36.968 13.483 7.160 103 HA GLU 18 HA GLU 18 36.109 11.282 8.750 104 HB2 GLU 18 HB2 GLU 18 34.668 13.110 7.671 105 HB3 GLU 18 HB1 GLU 18 34.805 12.173 6.182 106 HG2 GLU 18 HG2 GLU 18 34.134 10.197 7.903 107 HG3 GLU 18 HG1 GLU 18 33.320 11.556 8.678 108 H CYS 19 HN CYS 19 37.557 9.575 8.411 109 HA CYS 19 HA CYS 19 36.912 7.870 6.192 110 HB2 CYS 19 HB2 CYS 19 38.994 7.819 5.070 111 HB3 CYS 19 HB1 CYS 19 38.633 9.533 5.272 112 HG CYS 19 HG CYS 19 40.189 9.008 7.629 113 H GLU 20 HN GLU 20 39.098 6.177 6.254 114 HA GLU 20 HA GLU 20 39.871 4.358 7.428 115 HB2 GLU 20 HB2 GLU 20 40.560 6.735 8.914 116 HB3 GLU 20 HB1 GLU 20 40.278 5.386 10.015 117 HG2 GLU 20 HG2 GLU 20 42.629 5.427 9.291 118 HG3 GLU 20 HG1 GLU 20 41.820 3.984 8.686 119 H TYR 21 HN TYR 21 36.944 5.565 7.880 120 HA TYR 21 HA TYR 21 36.182 4.257 10.348 121 HB2 TYR 21 HB2 TYR 21 34.137 5.281 10.085 122 HB3 TYR 21 HB1 TYR 21 35.132 6.363 9.113 123 HD1 TYR 21 HD1 TYR 21 35.304 5.935 6.600 124 HD2 TYR 21 HD2 TYR 21 32.372 4.042 9.104 125 HE1 TYR 21 HE1 TYR 21 33.947 5.388 4.598 126 HE2 TYR 21 HE2 TYR 21 31.015 3.496 7.102 127 HH TYR 21 HH TYR 21 30.718 4.055 4.876 128 H THR 22 HN THR 22 37.050 3.051 7.463 129 HA THR 22 HA THR 22 34.949 0.992 7.348 130 HB THR 22 HB THR 22 37.186 1.655 5.419 131 HG1 THR 22 HG1 THR 22 34.628 1.822 4.553 132 HG21 THR 22 HG21 THR 22 35.318 -0.623 5.659 133 HG22 THR 22 HG22 THR 22 36.867 -0.518 4.822 134 HG23 THR 22 HG23 THR 22 35.407 0.107 4.056 135 H ASP 23 HN ASP 23 38.422 1.437 7.792 136 HA ASP 23 HA ASP 23 38.744 -1.441 8.311 137 HB2 ASP 23 HB2 ASP 23 41.184 -0.888 8.324 138 HB3 ASP 23 HB1 ASP 23 40.383 -0.514 6.799 139 H TRP 24 HN TRP 24 37.433 0.602 10.121 140 HA TRP 24 HA TRP 24 38.971 1.310 12.300 141 HB2 TRP 24 HB2 TRP 24 36.726 0.776 13.595 142 HB3 TRP 24 HB1 TRP 24 36.816 2.113 12.454 143 HD1 TRP 24 HD1 TRP 24 36.695 -1.470 11.175 144 HE1 TRP 24 HE1 TRP 24 34.458 -1.844 9.953 145 HE3 TRP 24 HE3 TRP 24 34.311 2.893 12.344 146 HZ2 TRP 24 HZ2 TRP 24 31.983 -0.474 9.525 147 HZ3 TRP 24 HZ3 TRP 24 32.017 3.332 11.517 148 HH2 TRP 24 HH2 TRP 24 30.851 1.656 10.110 149 H LYS 25 HN LYS 25 36.711 -1.090 13.294 150 HA LYS 25 HA LYS 25 38.755 -2.517 14.732 151 HB2 LYS 25 HB2 LYS 25 36.734 -4.029 15.283 152 HB3 LYS 25 HB1 LYS 25 36.734 -2.377 15.897 153 HG2 LYS 25 HG2 LYS 25 34.996 -1.750 14.574 154 HG3 LYS 25 HG1 LYS 25 35.584 -2.682 13.195 155 HD2 LYS 25 HD2 LYS 25 34.775 -4.754 14.217 156 HD3 LYS 25 HD1 LYS 25 34.236 -3.861 15.637 157 HE2 LYS 25 HE2 LYS 25 33.218 -2.782 13.093 158 HE3 LYS 25 HE1 LYS 25 32.658 -4.415 13.455 159 HZ1 LYS 25 HZ1 LYS 25 31.923 -3.661 15.618 160 HZ2 LYS 25 HZ2 LYS 25 31.198 -2.727 14.398 161 HZ3 LYS 25 HZ3 LYS 25 32.492 -2.095 15.301 162 H SER 26 HN SER 26 36.229 -4.368 13.240 163 HA SER 26 HA SER 26 36.346 -6.312 12.005 164 HB2 SER 26 HB2 SER 26 37.198 -4.139 10.464 165 HB3 SER 26 HB1 SER 26 38.377 -5.408 10.142 166 HG SER 26 HG SER 26 36.881 -6.533 9.167 167 H SER 27 HN SER 27 38.430 -5.820 14.167 168 HA SER 27 HA SER 27 39.974 -8.196 13.643 169 HB2 SER 27 HB2 SER 27 41.720 -5.863 14.226 170 HB3 SER 27 HB1 SER 27 42.064 -7.327 13.310 171 HG SER 27 HG SER 27 40.513 -6.414 11.735 172 H GLY 28 HN GLY 28 38.086 -7.042 15.627 173 HA2 GLY 28 HA2 GLY 28 37.811 -7.454 17.901 174 HA3 GLY 28 HA1 GLY 28 39.519 -7.872 18.003 175 H ALA 29 HN ALA 29 39.610 -5.081 16.397 176 HA ALA 29 HA ALA 29 40.077 -2.896 16.932 177 HB1 ALA 29 HB1 ALA 29 38.424 -1.926 18.095 178 HB2 ALA 29 HB2 ALA 29 38.881 -2.781 19.568 179 HB3 ALA 29 HB3 ALA 29 37.790 -3.541 18.410 180 H LEU 30 HN LEU 30 42.176 -2.627 17.334 181 HA LEU 30 HA LEU 30 43.253 -3.516 19.941 182 HB2 LEU 30 HB2 LEU 30 44.795 -2.912 17.411 183 HB3 LEU 30 HB1 LEU 30 45.416 -3.655 18.885 184 HG LEU 30 HG LEU 30 43.283 -4.834 17.079 185 HD11 LEU 30 HD11 LEU 30 45.340 -5.094 15.946 186 HD12 LEU 30 HD12 LEU 30 45.155 -6.607 16.833 187 HD13 LEU 30 HD13 LEU 30 46.233 -5.354 17.445 188 HD21 LEU 30 HD21 LEU 30 44.451 -5.618 19.734 189 HD22 LEU 30 HD22 LEU 30 43.943 -6.878 18.611 190 HD23 LEU 30 HD23 LEU 30 42.775 -5.691 19.191 191 H ILE 31 HN ILE 31 41.802 -1.106 19.701 192 HA ILE 31 HA ILE 31 43.297 0.712 21.094 193 HB ILE 31 HB ILE 31 44.049 0.782 18.295 194 HG12 ILE 31 HG12 ILE 31 45.520 0.890 20.347 195 HG13 ILE 31 HG11 ILE 31 45.853 2.137 19.151 196 HG21 ILE 31 HG21 ILE 31 42.886 3.364 19.408 197 HG22 ILE 31 HG22 ILE 31 42.328 2.489 17.982 198 HG23 ILE 31 HG23 ILE 31 43.914 3.244 17.984 199 HD11 ILE 31 HD11 ILE 31 45.357 2.558 21.854 200 HD12 ILE 31 HD12 ILE 31 43.825 2.974 21.090 201 HD13 ILE 31 HD13 ILE 31 45.306 3.788 20.593 202 HA PRO 32 HA PRO 32 39.370 2.800 19.145 203 HB2 PRO 32 HB2 PRO 32 37.936 0.498 17.989 204 HB3 PRO 32 HB1 PRO 32 38.268 2.087 17.278 205 HG2 PRO 32 HG2 PRO 32 39.486 -0.149 16.432 206 HG3 PRO 32 HG1 PRO 32 40.288 1.432 16.427 207 HD2 PRO 32 HD2 PRO 32 40.608 -0.839 18.364 208 HD3 PRO 32 HD1 PRO 32 41.844 0.252 17.698 209 H ALA 33 HN ALA 33 39.710 -0.166 20.789 210 HA ALA 33 HA ALA 33 37.060 -0.280 21.927 211 HB1 ALA 33 HB1 ALA 33 39.567 -1.835 22.125 212 HB2 ALA 33 HB2 ALA 33 37.894 -2.391 22.049 213 HB3 ALA 33 HB3 ALA 33 38.566 -1.820 23.577 214 H ILE 34 HN ILE 34 40.176 1.071 22.802 215 HA ILE 34 HA ILE 34 39.387 1.695 25.514 216 HB ILE 34 HB ILE 34 41.786 2.373 23.817 217 HG12 ILE 34 HG12 ILE 34 41.965 1.079 26.483 218 HG13 ILE 34 HG11 ILE 34 41.179 0.127 25.222 219 HG21 ILE 34 HG21 ILE 34 41.642 4.323 25.107 220 HG22 ILE 34 HG22 ILE 34 42.625 3.274 26.130 221 HG23 ILE 34 HG23 ILE 34 40.907 3.481 26.471 222 HD11 ILE 34 HD11 ILE 34 43.795 1.516 24.679 223 HD12 ILE 34 HD12 ILE 34 43.092 0.124 23.857 224 HD13 ILE 34 HD13 ILE 34 43.764 -0.056 25.478 225 H TYR 35 HN TYR 35 39.195 3.182 22.400 226 HA TYR 35 HA TYR 35 39.073 5.897 23.114 227 HB2 TYR 35 HB2 TYR 35 38.705 4.357 20.775 228 HB3 TYR 35 HB1 TYR 35 37.238 5.314 20.976 229 HD1 TYR 35 HD1 TYR 35 37.909 7.810 22.030 230 HD2 TYR 35 HD2 TYR 35 40.280 5.385 19.394 231 HE1 TYR 35 HE1 TYR 35 39.111 9.834 21.248 232 HE2 TYR 35 HE2 TYR 35 41.481 7.407 18.612 233 HH TYR 35 HH TYR 35 41.978 9.667 19.400 234 H MET 36 HN MET 36 36.382 3.620 22.534 235 HA MET 36 HA MET 36 34.355 5.371 23.448 236 HB2 MET 36 HB2 MET 36 34.397 2.347 23.307 237 HB3 MET 36 HB1 MET 36 32.954 3.331 23.552 238 HG2 MET 36 HG2 MET 36 34.328 4.405 21.308 239 HG3 MET 36 HG1 MET 36 34.247 2.657 21.084 240 HE1 MET 36 HE1 MET 36 30.926 5.750 21.228 241 HE2 MET 36 HE2 MET 36 32.420 5.855 20.300 242 HE3 MET 36 HE3 MET 36 32.485 5.817 22.060 243 H LEU 37 HN LEU 37 36.152 2.761 25.051 244 HA LEU 37 HA LEU 37 34.846 2.740 27.505 245 HB2 LEU 37 HB2 LEU 37 37.176 1.601 26.422 246 HB3 LEU 37 HB1 LEU 37 37.701 2.471 27.865 247 HG LEU 37 HG LEU 37 35.831 1.355 29.130 248 HD11 LEU 37 HD11 LEU 37 34.282 0.148 28.029 249 HD12 LEU 37 HD12 LEU 37 35.533 -0.871 27.316 250 HD13 LEU 37 HD13 LEU 37 35.046 0.621 26.512 251 HD21 LEU 37 HD21 LEU 37 38.269 0.143 28.059 252 HD22 LEU 37 HD22 LEU 37 37.064 -1.065 28.510 253 HD23 LEU 37 HD23 LEU 37 37.630 0.105 29.702 254 H VAL 38 HN VAL 38 36.526 5.275 26.068 255 HA VAL 38 HA VAL 38 37.062 6.579 28.664 256 HB VAL 38 HB VAL 38 38.167 7.095 25.899 257 HG11 VAL 38 HG11 VAL 38 38.185 8.733 28.412 258 HG12 VAL 38 HG12 VAL 38 38.051 9.264 26.736 259 HG13 VAL 38 HG13 VAL 38 39.611 8.746 27.375 260 HG21 VAL 38 HG21 VAL 38 39.961 6.728 28.198 261 HG22 VAL 38 HG22 VAL 38 40.005 5.966 26.607 262 HG23 VAL 38 HG23 VAL 38 38.953 5.319 27.866 263 H PHE 39 HN PHE 39 34.944 6.534 26.020 264 HA PHE 39 HA PHE 39 34.171 9.345 26.303 265 HB2 PHE 39 HB2 PHE 39 34.322 7.889 24.087 266 HB3 PHE 39 HB1 PHE 39 32.681 7.442 24.553 267 HD1 PHE 39 HD1 PHE 39 34.894 10.421 24.068 268 HD2 PHE 39 HD2 PHE 39 30.884 8.882 24.085 269 HE1 PHE 39 HE1 PHE 39 34.057 12.593 23.209 270 HE2 PHE 39 HE2 PHE 39 30.046 11.052 23.227 271 HZ PHE 39 HZ PHE 39 31.632 12.908 22.789 272 H LEU 40 HN LEU 40 32.969 6.099 26.958 273 HA LEU 40 HA LEU 40 30.468 7.178 28.039 274 HB2 LEU 40 HB2 LEU 40 29.831 4.790 28.286 275 HB3 LEU 40 HB1 LEU 40 30.260 5.210 26.629 276 HG LEU 40 HG LEU 40 32.698 4.461 27.674 277 HD11 LEU 40 HD11 LEU 40 32.441 2.527 29.021 278 HD12 LEU 40 HD12 LEU 40 30.714 2.419 28.681 279 HD13 LEU 40 HD13 LEU 40 31.328 3.700 29.726 280 HD21 LEU 40 HD21 LEU 40 32.353 2.386 26.370 281 HD22 LEU 40 HD22 LEU 40 31.746 3.795 25.500 282 HD23 LEU 40 HD23 LEU 40 30.621 2.711 26.319 283 H LEU 41 HN LEU 41 33.562 6.124 29.071 284 HA LEU 41 HA LEU 41 33.267 4.996 31.523 285 HB2 LEU 41 HB2 LEU 41 35.302 6.416 30.198 286 HB3 LEU 41 HB1 LEU 41 35.137 7.178 31.780 287 HG LEU 41 HG LEU 41 35.464 4.201 31.296 288 HD11 LEU 41 HD11 LEU 41 37.503 5.597 30.852 289 HD12 LEU 41 HD12 LEU 41 37.698 4.490 32.210 290 HD13 LEU 41 HD13 LEU 41 37.397 6.202 32.505 291 HD21 LEU 41 HD21 LEU 41 34.545 5.763 33.561 292 HD22 LEU 41 HD22 LEU 41 36.035 4.910 33.964 293 HD23 LEU 41 HD23 LEU 41 34.632 4.010 33.385 294 H GLY 42 HN GLY 42 33.191 8.519 30.934 295 HA2 GLY 42 HA2 GLY 42 31.094 8.938 32.837 296 HA3 GLY 42 HA1 GLY 42 32.659 9.418 33.485 297 H THR 43 HN THR 43 31.200 9.681 30.240 298 HA THR 43 HA THR 43 31.432 12.614 30.429 299 HB THR 43 HB THR 43 32.839 12.808 28.665 300 HG1 THR 43 HG1 THR 43 31.423 10.596 27.619 301 HG21 THR 43 HG21 THR 43 34.426 10.981 28.461 302 HG22 THR 43 HG22 THR 43 33.254 9.842 29.122 303 HG23 THR 43 HG23 THR 43 33.927 11.109 30.148 304 H THR 44 HN THR 44 30.342 9.979 28.276 305 HA THR 44 HA THR 44 28.124 11.613 27.334 306 HB THR 44 HB THR 44 28.872 8.751 26.683 307 HG1 THR 44 HG1 THR 44 29.173 10.634 24.760 308 HG21 THR 44 HG21 THR 44 26.865 8.694 25.668 309 HG22 THR 44 HG22 THR 44 27.432 9.973 24.596 310 HG23 THR 44 HG23 THR 44 26.561 10.383 26.074 311 H GLY 45 HN GLY 45 27.276 8.367 27.433 312 HA2 GLY 45 HA2 GLY 45 25.069 8.856 29.195 313 HA3 GLY 45 HA1 GLY 45 25.492 7.314 28.456 314 H ASN 46 HN ASN 46 27.664 6.403 29.390 315 HA ASN 46 HA ASN 46 28.699 5.425 31.191 316 HB2 ASN 46 HB2 ASN 46 28.117 7.660 33.031 317 HB3 ASN 46 HB1 ASN 46 29.656 6.902 32.627 318 HD21 ASN 46 HD21 ASN 46 28.823 9.850 32.661 319 HD22 ASN 46 HD22 ASN 46 29.243 10.418 31.118 320 H GLY 47 HN GLY 47 27.768 3.769 32.192 321 HA2 GLY 47 HA2 GLY 47 26.505 2.629 33.769 322 HA3 GLY 47 HA1 GLY 47 25.884 4.177 34.336 323 H LEU 48 HN LEU 48 25.128 4.870 31.501 324 HA LEU 48 HA LEU 48 22.564 3.423 31.505 325 HB2 LEU 48 HB2 LEU 48 23.233 6.142 31.193 326 HB3 LEU 48 HB1 LEU 48 22.701 5.590 29.604 327 HG LEU 48 HG LEU 48 21.177 5.187 32.194 328 HD11 LEU 48 HD11 LEU 48 19.545 6.719 30.807 329 HD12 LEU 48 HD12 LEU 48 21.022 7.205 29.975 330 HD13 LEU 48 HD13 LEU 48 20.868 7.450 31.714 331 HD21 LEU 48 HD21 LEU 48 21.023 3.947 29.580 332 HD22 LEU 48 HD22 LEU 48 19.539 4.832 29.927 333 HD23 LEU 48 HD23 LEU 48 20.098 3.580 31.035 334 H VAL 49 HN VAL 49 25.236 4.370 29.372 335 HA VAL 49 HA VAL 49 24.253 3.244 26.991 336 HB VAL 49 HB VAL 49 27.056 3.756 27.987 337 HG11 VAL 49 HG11 VAL 49 26.077 2.499 25.433 338 HG12 VAL 49 HG12 VAL 49 27.443 2.030 26.445 339 HG13 VAL 49 HG13 VAL 49 27.547 3.473 25.436 340 HG21 VAL 49 HG21 VAL 49 26.003 5.118 25.602 341 HG22 VAL 49 HG22 VAL 49 26.802 5.797 27.021 342 HG23 VAL 49 HG23 VAL 49 25.074 5.446 27.065 343 H LEU 50 HN LEU 50 25.427 1.771 29.853 344 HA LEU 50 HA LEU 50 26.071 -0.754 28.521 345 HB2 LEU 50 HB2 LEU 50 26.110 -0.086 31.473 346 HB3 LEU 50 HB1 LEU 50 26.827 -1.499 30.698 347 HG LEU 50 HG LEU 50 27.912 0.618 29.271 348 HD11 LEU 50 HD11 LEU 50 27.915 1.311 32.225 349 HD12 LEU 50 HD12 LEU 50 26.986 2.170 30.995 350 HD13 LEU 50 HD13 LEU 50 28.749 2.189 30.943 351 HD21 LEU 50 HD21 LEU 50 29.133 -1.366 29.975 352 HD22 LEU 50 HD22 LEU 50 28.980 -0.905 31.669 353 HD23 LEU 50 HD23 LEU 50 29.981 0.056 30.581 354 H TRP 51 HN TRP 51 23.460 0.796 30.128 355 HA TRP 51 HA TRP 51 22.100 -1.470 31.153 356 HB2 TRP 51 HB2 TRP 51 20.791 0.162 31.947 357 HB3 TRP 51 HB1 TRP 51 21.634 1.338 30.937 358 HD1 TRP 51 HD1 TRP 51 20.697 1.569 28.356 359 HE1 TRP 51 HE1 TRP 51 18.276 1.404 27.487 360 HE3 TRP 51 HE3 TRP 51 18.519 -0.877 32.274 361 HZ2 TRP 51 HZ2 TRP 51 15.748 0.372 28.341 362 HZ3 TRP 51 HZ3 TRP 51 16.106 -1.439 32.221 363 HH2 TRP 51 HH2 TRP 51 14.719 -0.818 30.260 364 H THR 52 HN THR 52 22.242 0.016 27.977 365 HA THR 52 HA THR 52 20.020 -1.402 26.867 366 HB THR 52 HB THR 52 22.309 0.177 25.729 367 HG1 THR 52 HG1 THR 52 19.627 0.532 25.098 368 HG21 THR 52 HG21 THR 52 21.041 -0.238 23.493 369 HG22 THR 52 HG22 THR 52 20.431 -1.686 24.295 370 HG23 THR 52 HG23 THR 52 22.166 -1.470 24.063 371 H VAL 53 HN VAL 53 23.515 -1.952 26.983 372 HA VAL 53 HA VAL 53 23.523 -4.228 25.273 373 HB VAL 53 HB VAL 53 25.517 -3.696 27.474 374 HG11 VAL 53 HG11 VAL 53 25.709 -4.896 24.693 375 HG12 VAL 53 HG12 VAL 53 25.756 -5.792 26.211 376 HG13 VAL 53 HG13 VAL 53 27.063 -4.680 25.803 377 HG21 VAL 53 HG21 VAL 53 25.201 -2.338 24.782 378 HG22 VAL 53 HG22 VAL 53 26.701 -2.309 25.709 379 HG23 VAL 53 HG23 VAL 53 25.241 -1.572 26.369 380 H PHE 54 HN PHE 54 22.721 -3.739 28.605 381 HA PHE 54 HA PHE 54 22.881 -6.603 29.207 382 HB2 PHE 54 HB2 PHE 54 23.102 -4.211 30.740 383 HB3 PHE 54 HB1 PHE 54 21.710 -5.112 31.340 384 HD1 PHE 54 HD1 PHE 54 22.035 -7.643 31.784 385 HD2 PHE 54 HD2 PHE 54 25.283 -4.870 31.324 386 HE1 PHE 54 HE1 PHE 54 23.557 -9.236 32.923 387 HE2 PHE 54 HE2 PHE 54 26.805 -6.463 32.464 388 HZ PHE 54 HZ PHE 54 25.941 -8.646 33.262 389 H ARG 55 HN ARG 55 20.772 -4.740 27.615 390 HA ARG 55 HA ARG 55 18.357 -5.898 28.844 391 HB2 ARG 55 HB2 ARG 55 18.859 -3.559 27.028 392 HB3 ARG 55 HB1 ARG 55 17.260 -4.303 27.091 393 HG2 ARG 55 HG2 ARG 55 18.567 -3.722 29.702 394 HG3 ARG 55 HG1 ARG 55 17.998 -2.334 28.774 395 HD2 ARG 55 HD2 ARG 55 16.353 -3.514 30.434 396 HD3 ARG 55 HD1 ARG 55 15.771 -3.030 28.844 397 HE ARG 55 HE ARG 55 16.624 -5.572 28.419 398 HH11 ARG 55 HH21 ARG 55 14.603 -4.071 30.793 399 HH12 ARG 55 HH22 ARG 55 13.619 -5.473 31.044 400 HH21 ARG 55 HH11 ARG 55 15.338 -7.417 28.743 401 HH22 ARG 55 HH12 ARG 55 14.035 -7.368 29.883 402 H LYS 56 HN LYS 56 19.816 -5.396 25.624 403 HA LYS 56 HA LYS 56 18.044 -7.145 24.266 404 HB2 LYS 56 HB2 LYS 56 19.663 -7.018 22.421 405 HB3 LYS 56 HB1 LYS 56 19.353 -5.420 23.100 406 HG2 LYS 56 HG2 LYS 56 21.428 -6.158 24.659 407 HG3 LYS 56 HG1 LYS 56 21.821 -7.074 23.204 408 HD2 LYS 56 HD2 LYS 56 21.319 -4.825 21.963 409 HD3 LYS 56 HD1 LYS 56 21.571 -4.098 23.550 410 HE2 LYS 56 HE2 LYS 56 23.724 -5.721 23.471 411 HE3 LYS 56 HE1 LYS 56 23.525 -5.424 21.744 412 HZ1 LYS 56 HZ1 LYS 56 23.172 -2.988 23.007 413 HZ2 LYS 56 HZ2 LYS 56 24.492 -3.473 22.052 414 HZ3 LYS 56 HZ3 LYS 56 24.532 -3.692 23.737 415 H LYS 57 HN LYS 57 21.227 -7.599 25.743 416 HA LYS 57 HA LYS 57 21.378 -10.372 24.908 417 HB2 LYS 57 HB2 LYS 57 23.116 -8.560 26.566 418 HB3 LYS 57 HB1 LYS 57 23.403 -10.299 26.525 419 HG2 LYS 57 HG2 LYS 57 24.117 -10.269 24.351 420 HG3 LYS 57 HG1 LYS 57 22.998 -8.985 23.893 421 HD2 LYS 57 HD2 LYS 57 25.347 -8.203 23.829 422 HD3 LYS 57 HD1 LYS 57 24.408 -7.328 25.040 423 HE2 LYS 57 HE2 LYS 57 25.780 -9.809 25.946 424 HE3 LYS 57 HE1 LYS 57 26.803 -8.416 25.598 425 HZ1 LYS 57 HZ1 LYS 57 25.101 -8.867 27.815 426 HZ2 LYS 57 HZ2 LYS 57 24.637 -7.446 27.007 427 HZ3 LYS 57 HZ3 LYS 57 26.230 -7.625 27.571 428 H GLY 58 HN GLY 58 19.059 -10.303 26.132 429 HA2 GLY 58 HA2 GLY 58 19.401 -10.967 28.968 430 HA3 GLY 58 HA1 GLY 58 17.868 -10.732 28.133 431 H HIS 59 HN HIS 59 20.635 -12.940 28.397 432 HA HIS 59 HA HIS 59 18.808 -15.210 28.145 433 HB2 HIS 59 HB2 HIS 59 21.046 -14.601 26.227 434 HB3 HIS 59 HB1 HIS 59 20.525 -16.261 26.520 435 HD2 HIS 59 HD2 HIS 59 19.281 -13.074 24.657 436 HE1 HIS 59 HE1 HIS 59 16.296 -16.029 24.237 437 HE2 HIS 59 HE2 HIS 59 17.054 -13.731 23.464 438 H HIS 60 HN HIS 60 22.326 -15.085 27.781 439 HA HIS 60 HA HIS 60 22.889 -17.140 29.566 440 HB2 HIS 60 HB2 HIS 60 24.520 -14.803 28.592 441 HB3 HIS 60 HB1 HIS 60 25.188 -15.987 29.716 442 HD2 HIS 60 HD2 HIS 60 26.759 -17.492 27.969 443 HE1 HIS 60 HE1 HIS 60 23.757 -18.326 25.120 444 HE2 HIS 60 HE2 HIS 60 26.152 -18.821 25.804 445 H HIS 61 HN HIS 61 24.074 -16.966 31.653 446 HA HIS 61 HA HIS 61 22.739 -14.985 33.375 447 HB2 HIS 61 HB2 HIS 61 24.086 -17.623 33.987 448 HB3 HIS 61 HB1 HIS 61 23.480 -16.522 35.225 449 HD2 HIS 61 HD2 HIS 61 21.940 -18.555 32.165 450 HE1 HIS 61 HE1 HIS 61 18.905 -17.809 35.003 451 HE2 HIS 61 HE2 HIS 61 19.444 -18.969 32.809 452 H HIS 62 HN HIS 62 24.175 -13.255 32.805 453 HA HIS 62 HA HIS 62 26.966 -13.315 32.991 454 HB2 HIS 62 HB2 HIS 62 25.038 -11.046 33.530 455 HB3 HIS 62 HB1 HIS 62 26.781 -10.852 33.355 456 HD2 HIS 62 HD2 HIS 62 27.768 -11.301 30.692 457 HE1 HIS 62 HE1 HIS 62 23.953 -11.436 28.889 458 HE2 HIS 62 HE2 HIS 62 26.448 -11.307 28.439 459 H HIS 63 HN HIS 63 27.436 -14.642 34.827 460 HA HIS 63 HA HIS 63 26.632 -14.289 37.441 461 HB2 HIS 63 HB2 HIS 63 28.716 -15.361 38.100 462 HB3 HIS 63 HB1 HIS 63 28.100 -16.127 36.637 463 HD2 HIS 63 HD2 HIS 63 31.384 -16.124 37.184 464 HE1 HIS 63 HE1 HIS 63 31.479 -13.232 34.109 465 HE2 HIS 63 HE2 HIS 63 32.879 -14.878 35.444 466 H HIS 64 HN HIS 64 28.164 -13.486 39.250 467 HA HIS 64 HA HIS 64 28.282 -10.702 39.184 468 HB2 HIS 64 HB2 HIS 64 29.754 -10.922 41.192 469 HB3 HIS 64 HB1 HIS 64 28.290 -11.900 41.288 470 HD2 HIS 64 HD2 HIS 64 31.370 -12.715 42.669 471 HE1 HIS 64 HE1 HIS 64 30.967 -15.989 40.033 472 HE2 HIS 64 HE2 HIS 64 32.207 -15.115 42.070 Start of MODEL 35 1 H1 MET 1 HT1 MET 1 56.469 -19.396 -28.121 2 H2 MET 1 HT2 MET 1 57.363 -18.198 -28.931 3 H3 MET 1 HT3 MET 1 57.817 -18.691 -27.370 4 HA MET 1 HA MET 1 57.705 -20.928 -29.102 5 HB2 MET 1 HB2 MET 1 58.738 -18.463 -30.236 6 HB3 MET 1 HB1 MET 1 60.013 -19.675 -30.101 7 HG2 MET 1 HG2 MET 1 58.843 -19.892 -32.256 8 HG3 MET 1 HG1 MET 1 58.569 -21.318 -31.255 9 HE1 MET 1 HE1 MET 1 56.868 -19.608 -33.797 10 HE2 MET 1 HE2 MET 1 57.304 -18.182 -32.860 11 HE3 MET 1 HE3 MET 1 55.606 -18.571 -33.117 12 H GLU 2 HN GLU 2 59.527 -22.266 -28.658 13 HA GLU 2 HA GLU 2 60.894 -21.537 -26.158 14 HB2 GLU 2 HB2 GLU 2 60.748 -24.236 -27.523 15 HB3 GLU 2 HB1 GLU 2 61.315 -23.902 -25.886 16 HG2 GLU 2 HG2 GLU 2 59.190 -24.320 -25.235 17 HG3 GLU 2 HG1 GLU 2 58.806 -22.739 -25.911 18 H GLU 3 HN GLU 3 62.512 -20.186 -27.008 19 HA GLU 3 HA GLU 3 64.682 -21.651 -28.355 20 HB2 GLU 3 HB2 GLU 3 63.610 -20.433 -30.144 21 HB3 GLU 3 HB1 GLU 3 63.589 -18.954 -29.183 22 HG2 GLU 3 HG2 GLU 3 65.788 -18.509 -29.579 23 HG3 GLU 3 HG1 GLU 3 66.249 -20.208 -29.493 24 H GLY 4 HN GLY 4 65.402 -21.666 -26.072 25 HA2 GLY 4 HA2 GLY 4 67.550 -20.229 -25.451 26 HA3 GLY 4 HA1 GLY 4 66.281 -19.100 -24.984 27 H GLY 5 HN GLY 5 64.376 -20.757 -23.919 28 HA2 GLY 5 HA2 GLY 5 63.815 -22.057 -22.087 29 HA3 GLY 5 HA1 GLY 5 65.481 -22.623 -22.031 30 H ASP 6 HN ASP 6 64.100 -22.041 -19.702 31 HA ASP 6 HA ASP 6 65.741 -19.864 -18.642 32 HB2 ASP 6 HB2 ASP 6 62.749 -19.871 -18.741 33 HB3 ASP 6 HB1 ASP 6 63.558 -19.163 -17.343 34 H PHE 7 HN PHE 7 66.625 -20.467 -16.771 35 HA PHE 7 HA PHE 7 66.497 -22.921 -15.612 36 HB2 PHE 7 HB2 PHE 7 67.203 -20.221 -14.620 37 HB3 PHE 7 HB1 PHE 7 66.889 -21.441 -13.385 38 HD1 PHE 7 HD1 PHE 7 68.934 -20.663 -16.389 39 HD2 PHE 7 HD2 PHE 7 68.409 -23.243 -12.995 40 HE1 PHE 7 HE1 PHE 7 71.168 -21.659 -16.801 41 HE2 PHE 7 HE2 PHE 7 70.642 -24.239 -13.408 42 HZ PHE 7 HZ PHE 7 72.022 -23.447 -15.310 43 H ASP 8 HN ASP 8 65.482 -23.754 -13.679 44 HA ASP 8 HA ASP 8 62.944 -22.475 -12.927 45 HB2 ASP 8 HB2 ASP 8 62.412 -24.096 -14.707 46 HB3 ASP 8 HB1 ASP 8 63.197 -25.370 -13.776 47 H ASN 9 HN ASN 9 65.064 -22.314 -11.314 48 HA ASN 9 HA ASN 9 64.356 -24.147 -9.130 49 HB2 ASN 9 HB2 ASN 9 66.460 -24.904 -10.435 50 HB3 ASN 9 HB1 ASN 9 67.244 -23.516 -9.683 51 HD21 ASN 9 HD21 ASN 9 65.181 -26.323 -8.722 52 HD22 ASN 9 HD22 ASN 9 65.983 -26.585 -7.249 53 H TYR 10 HN TYR 10 63.513 -21.523 -9.404 54 HA TYR 10 HA TYR 10 65.230 -19.667 -8.094 55 HB2 TYR 10 HB2 TYR 10 62.263 -19.683 -8.648 56 HB3 TYR 10 HB1 TYR 10 63.078 -18.345 -7.837 57 HD1 TYR 10 HD1 TYR 10 63.196 -20.435 -10.937 58 HD2 TYR 10 HD2 TYR 10 64.183 -16.685 -9.089 59 HE1 TYR 10 HE1 TYR 10 63.920 -19.543 -13.135 60 HE2 TYR 10 HE2 TYR 10 64.905 -15.792 -11.287 61 HH TYR 10 HH TYR 10 65.776 -17.368 -13.713 62 H TYR 11 HN TYR 11 65.134 -22.066 -6.613 63 HA TYR 11 HA TYR 11 63.335 -22.102 -4.470 64 HB2 TYR 11 HB2 TYR 11 65.995 -23.255 -5.043 65 HB3 TYR 11 HB1 TYR 11 65.589 -23.098 -3.333 66 HD1 TYR 11 HD1 TYR 11 63.377 -23.738 -6.281 67 HD2 TYR 11 HD2 TYR 11 65.005 -25.259 -2.609 68 HE1 TYR 11 HE1 TYR 11 61.899 -25.722 -6.448 69 HE2 TYR 11 HE2 TYR 11 63.526 -27.243 -2.775 70 HH TYR 11 HH TYR 11 62.065 -28.222 -5.483 71 H GLY 12 HN GLY 12 63.091 -20.875 -2.709 72 HA2 GLY 12 HA2 GLY 12 64.903 -19.746 -1.041 73 HA3 GLY 12 HA1 GLY 12 64.786 -18.558 -2.335 74 H ALA 13 HN ALA 13 62.858 -20.369 0.028 75 HA ALA 13 HA ALA 13 61.304 -18.034 0.668 76 HB1 ALA 13 HB1 ALA 13 59.708 -20.332 -0.433 77 HB2 ALA 13 HB2 ALA 13 60.286 -19.046 -1.493 78 HB3 ALA 13 HB3 ALA 13 59.202 -18.666 -0.154 79 H ASP 14 HN ASP 14 62.817 -19.284 2.401 80 HA ASP 14 HA ASP 14 60.901 -20.733 4.102 81 HB2 ASP 14 HB2 ASP 14 62.590 -22.364 4.740 82 HB3 ASP 14 HB1 ASP 14 62.358 -22.407 2.992 83 H ASN 15 HN ASN 15 61.460 -18.056 4.349 84 HA ASN 15 HA ASN 15 62.912 -18.013 6.906 85 HB2 ASN 15 HB2 ASN 15 63.428 -16.235 4.527 86 HB3 ASN 15 HB1 ASN 15 63.843 -15.740 6.167 87 HD21 ASN 15 HD21 ASN 15 65.899 -16.121 4.247 88 HD22 ASN 15 HD22 ASN 15 66.801 -17.494 4.675 89 H GLN 16 HN GLN 16 60.060 -17.756 5.675 90 HA GLN 16 HA GLN 16 59.215 -15.106 6.410 91 HB2 GLN 16 HB2 GLN 16 56.922 -16.056 6.099 92 HB3 GLN 16 HB1 GLN 16 57.977 -16.297 4.707 93 HG2 GLN 16 HG2 GLN 16 58.297 -18.484 6.561 94 HG3 GLN 16 HG1 GLN 16 56.591 -18.282 6.167 95 HE21 GLN 16 HE21 GLN 16 59.262 -19.940 5.150 96 HE22 GLN 16 HE22 GLN 16 58.898 -20.088 3.499 97 H SER 17 HN SER 17 60.388 -15.428 8.585 98 HA SER 17 HA SER 17 59.101 -17.036 10.579 99 HB2 SER 17 HB2 SER 17 61.135 -14.812 10.697 100 HB3 SER 17 HB1 SER 17 60.495 -15.577 12.148 101 HG SER 17 HG SER 17 62.486 -16.426 10.802 102 H GLU 18 HN GLU 18 57.171 -15.504 9.252 103 HA GLU 18 HA GLU 18 55.945 -14.174 11.507 104 HB2 GLU 18 HB2 GLU 18 57.163 -12.270 10.792 105 HB3 GLU 18 HB1 GLU 18 56.862 -12.620 9.089 106 HG2 GLU 18 HG2 GLU 18 54.602 -11.970 9.228 107 HG3 GLU 18 HG1 GLU 18 54.578 -12.106 10.985 108 H CYS 19 HN CYS 19 53.728 -14.053 11.312 109 HA CYS 19 HA CYS 19 52.431 -14.518 8.759 110 HB2 CYS 19 HB2 CYS 19 52.467 -16.597 10.944 111 HB3 CYS 19 HB1 CYS 19 51.167 -16.516 9.755 112 HG CYS 19 HG CYS 19 54.045 -17.434 9.196 113 H GLU 20 HN GLU 20 51.779 -12.335 9.552 114 HA GLU 20 HA GLU 20 50.234 -10.902 10.471 115 HB2 GLU 20 HB2 GLU 20 48.715 -13.492 10.272 116 HB3 GLU 20 HB1 GLU 20 47.963 -12.050 10.956 117 HG2 GLU 20 HG2 GLU 20 47.519 -12.241 8.526 118 HG3 GLU 20 HG1 GLU 20 48.454 -10.795 8.906 119 H TYR 21 HN TYR 21 51.958 -12.867 12.224 120 HA TYR 21 HA TYR 21 50.441 -12.658 14.731 121 HB2 TYR 21 HB2 TYR 21 51.412 -14.641 15.116 122 HB3 TYR 21 HB1 TYR 21 52.428 -14.474 13.684 123 HD1 TYR 21 HD2 TYR 21 54.657 -13.457 13.824 124 HD2 TYR 21 HD1 TYR 21 52.203 -13.950 17.316 125 HE1 TYR 21 HE2 TYR 21 56.625 -13.023 15.269 126 HE2 TYR 21 HE1 TYR 21 54.171 -13.515 18.761 127 HH TYR 21 HH TYR 21 57.009 -13.845 18.147 128 H THR 22 HN THR 22 52.678 -10.903 12.955 129 HA THR 22 HA THR 22 53.996 -9.750 15.311 130 HB THR 22 HB THR 22 54.455 -9.189 12.371 131 HG1 THR 22 HG1 THR 22 56.341 -10.490 12.801 132 HG21 THR 22 HG21 THR 22 56.662 -8.333 13.333 133 HG22 THR 22 HG22 THR 22 55.884 -8.399 14.915 134 HG23 THR 22 HG23 THR 22 55.240 -7.341 13.658 135 H ASP 23 HN ASP 23 51.609 -9.037 12.870 136 HA ASP 23 HA ASP 23 51.519 -6.203 13.442 137 HB2 ASP 23 HB2 ASP 23 50.069 -6.051 11.675 138 HB3 ASP 23 HB1 ASP 23 50.823 -7.591 11.265 139 H TRP 24 HN TRP 24 50.150 -9.065 14.749 140 HA TRP 24 HA TRP 24 47.696 -8.189 15.738 141 HB2 TRP 24 HB2 TRP 24 47.764 -10.034 17.193 142 HB3 TRP 24 HB1 TRP 24 48.766 -10.536 15.833 143 HD1 TRP 24 HD1 TRP 24 51.388 -8.899 16.582 144 HE1 TRP 24 HE1 TRP 24 52.828 -9.670 18.574 145 HE3 TRP 24 HE3 TRP 24 47.938 -11.652 19.150 146 HZ2 TRP 24 HZ2 TRP 24 52.554 -11.248 20.945 147 HZ3 TRP 24 HZ3 TRP 24 48.553 -12.777 21.270 148 HH2 TRP 24 HH2 TRP 24 50.855 -12.579 22.171 149 H LYS 25 HN LYS 25 47.053 -7.333 17.747 150 HA LYS 25 HA LYS 25 47.174 -5.605 19.284 151 HB2 LYS 25 HB2 LYS 25 49.362 -7.526 20.061 152 HB3 LYS 25 HB1 LYS 25 48.973 -6.115 21.046 153 HG2 LYS 25 HG2 LYS 25 46.617 -6.870 21.182 154 HG3 LYS 25 HG1 LYS 25 47.031 -8.299 20.236 155 HD2 LYS 25 HD2 LYS 25 48.621 -7.714 22.709 156 HD3 LYS 25 HD1 LYS 25 47.007 -8.402 22.884 157 HE2 LYS 25 HE2 LYS 25 47.627 -10.256 21.379 158 HE3 LYS 25 HE1 LYS 25 49.242 -9.571 21.201 159 HZ1 LYS 25 HZ1 LYS 25 49.792 -10.069 23.362 160 HZ2 LYS 25 HZ2 LYS 25 48.819 -11.402 22.953 161 HZ3 LYS 25 HZ3 LYS 25 48.180 -10.133 23.886 162 H SER 26 HN SER 26 48.246 -4.696 16.952 163 HA SER 26 HA SER 26 49.704 -2.472 17.638 164 HB2 SER 26 HB2 SER 26 51.415 -4.878 17.275 165 HB3 SER 26 HB1 SER 26 51.977 -3.377 16.544 166 HG SER 26 HG SER 26 51.878 -4.120 19.156 167 H SER 27 HN SER 27 48.007 -2.067 16.001 168 HA SER 27 HA SER 27 49.212 -1.840 13.371 169 HB2 SER 27 HB2 SER 27 48.185 -4.091 13.295 170 HB3 SER 27 HB1 SER 27 46.631 -3.383 13.728 171 HG SER 27 HG SER 27 46.467 -3.192 11.629 172 H GLY 28 HN GLY 28 45.792 -1.878 14.296 173 HA2 GLY 28 HA2 GLY 28 45.460 0.863 14.801 174 HA3 GLY 28 HA1 GLY 28 45.203 0.596 13.079 175 H ALA 29 HN ALA 29 44.451 -1.825 15.493 176 HA ALA 29 HA ALA 29 41.590 -1.184 15.360 177 HB1 ALA 29 HB1 ALA 29 41.813 -2.727 13.538 178 HB2 ALA 29 HB2 ALA 29 41.110 -3.619 14.888 179 HB3 ALA 29 HB3 ALA 29 42.820 -3.808 14.500 180 H LEU 30 HN LEU 30 43.765 -1.152 17.403 181 HA LEU 30 HA LEU 30 42.529 -3.005 19.355 182 HB2 LEU 30 HB2 LEU 30 44.709 -3.098 20.491 183 HB3 LEU 30 HB1 LEU 30 44.835 -3.673 18.828 184 HG LEU 30 HG LEU 30 45.249 -0.895 18.684 185 HD11 LEU 30 HD11 LEU 30 46.931 -2.118 20.890 186 HD12 LEU 30 HD12 LEU 30 45.595 -1.002 21.172 187 HD13 LEU 30 HD13 LEU 30 47.021 -0.464 20.284 188 HD21 LEU 30 HD21 LEU 30 46.339 -2.592 17.291 189 HD22 LEU 30 HD22 LEU 30 47.209 -3.214 18.694 190 HD23 LEU 30 HD23 LEU 30 47.564 -1.599 18.081 191 H ILE 31 HN ILE 31 43.580 0.217 18.608 192 HA ILE 31 HA ILE 31 43.260 1.165 21.329 193 HB ILE 31 HB ILE 31 44.105 2.390 18.738 194 HG12 ILE 31 HG12 ILE 31 45.525 1.300 20.692 195 HG13 ILE 31 HG11 ILE 31 46.098 2.746 19.864 196 HG21 ILE 31 HG21 ILE 31 42.937 3.854 21.107 197 HG22 ILE 31 HG22 ILE 31 42.593 4.085 19.392 198 HG23 ILE 31 HG23 ILE 31 44.137 4.611 20.059 199 HD11 ILE 31 HD11 ILE 31 46.123 2.749 22.456 200 HD12 ILE 31 HD12 ILE 31 44.376 2.952 22.336 201 HD13 ILE 31 HD13 ILE 31 45.455 4.162 21.642 202 HA PRO 32 HA PRO 32 39.400 3.145 18.996 203 HB2 PRO 32 HB2 PRO 32 38.528 0.657 17.619 204 HB3 PRO 32 HB1 PRO 32 38.482 2.338 17.053 205 HG2 PRO 32 HG2 PRO 32 40.249 0.592 16.096 206 HG3 PRO 32 HG1 PRO 32 40.660 2.299 16.337 207 HD2 PRO 32 HD2 PRO 32 41.427 -0.077 17.992 208 HD3 PRO 32 HD1 PRO 32 42.361 1.386 17.616 209 H ALA 33 HN ALA 33 39.867 -0.056 20.282 210 HA ALA 33 HA ALA 33 37.192 -0.361 21.316 211 HB1 ALA 33 HB1 ALA 33 39.776 -1.846 21.811 212 HB2 ALA 33 HB2 ALA 33 38.403 -2.370 20.837 213 HB3 ALA 33 HB3 ALA 33 38.253 -2.271 22.592 214 H ILE 34 HN ILE 34 40.332 0.663 22.581 215 HA ILE 34 HA ILE 34 39.265 1.041 25.260 216 HB ILE 34 HB ILE 34 41.968 1.715 24.076 217 HG12 ILE 34 HG12 ILE 34 41.541 -0.431 26.100 218 HG13 ILE 34 HG11 ILE 34 40.985 -0.765 24.460 219 HG21 ILE 34 HG21 ILE 34 41.961 3.068 25.938 220 HG22 ILE 34 HG22 ILE 34 42.393 1.550 26.724 221 HG23 ILE 34 HG23 ILE 34 40.723 2.115 26.754 222 HD11 ILE 34 HD11 ILE 34 43.760 0.274 25.078 223 HD12 ILE 34 HD12 ILE 34 43.172 -0.380 23.549 224 HD13 ILE 34 HD13 ILE 34 43.385 -1.444 24.939 225 H TYR 35 HN TYR 35 38.902 2.699 22.486 226 HA TYR 35 HA TYR 35 39.357 5.383 23.516 227 HB2 TYR 35 HB2 TYR 35 39.540 4.439 21.027 228 HB3 TYR 35 HB1 TYR 35 37.840 4.910 20.996 229 HD1 TYR 35 HD2 TYR 35 37.200 7.278 21.600 230 HD2 TYR 35 HD1 TYR 35 41.275 6.072 20.977 231 HE1 TYR 35 HE2 TYR 35 37.859 9.652 21.318 232 HE2 TYR 35 HE1 TYR 35 41.934 8.446 20.695 233 HH TYR 35 HH TYR 35 40.984 10.722 21.481 234 H MET 36 HN MET 36 36.696 3.167 22.945 235 HA MET 36 HA MET 36 34.685 5.180 23.557 236 HB2 MET 36 HB2 MET 36 34.571 2.240 22.892 237 HB3 MET 36 HB1 MET 36 33.144 3.143 23.402 238 HG2 MET 36 HG2 MET 36 33.137 4.476 21.493 239 HG3 MET 36 HG1 MET 36 34.861 4.244 21.202 240 HE1 MET 36 HE1 MET 36 35.323 3.369 19.065 241 HE2 MET 36 HE2 MET 36 33.749 4.041 18.648 242 HE3 MET 36 HE3 MET 36 34.196 2.438 18.069 243 H LEU 37 HN LEU 37 36.485 2.699 25.185 244 HA LEU 37 HA LEU 37 34.730 2.387 27.422 245 HB2 LEU 37 HB2 LEU 37 37.399 1.456 26.619 246 HB3 LEU 37 HB1 LEU 37 37.229 1.707 28.355 247 HG LEU 37 HG LEU 37 36.609 -0.611 27.590 248 HD11 LEU 37 HD11 LEU 37 34.014 0.117 28.547 249 HD12 LEU 37 HD12 LEU 37 35.199 1.146 29.348 250 HD13 LEU 37 HD13 LEU 37 35.345 -0.608 29.448 251 HD21 LEU 37 HD21 LEU 37 35.032 -0.980 25.993 252 HD22 LEU 37 HD22 LEU 37 35.361 0.688 25.525 253 HD23 LEU 37 HD23 LEU 37 33.997 0.321 26.581 254 H VAL 38 HN VAL 38 35.919 5.127 26.479 255 HA VAL 38 HA VAL 38 36.465 6.082 29.215 256 HB VAL 38 HB VAL 38 37.958 6.964 26.734 257 HG11 VAL 38 HG11 VAL 38 39.379 8.093 28.553 258 HG12 VAL 38 HG12 VAL 38 38.024 7.793 29.640 259 HG13 VAL 38 HG13 VAL 38 37.806 8.817 28.220 260 HG21 VAL 38 HG21 VAL 38 39.845 5.985 28.394 261 HG22 VAL 38 HG22 VAL 38 39.037 4.984 27.187 262 HG23 VAL 38 HG23 VAL 38 38.494 4.953 28.865 263 H PHE 39 HN PHE 39 34.808 6.378 26.271 264 HA PHE 39 HA PHE 39 34.175 9.197 26.536 265 HB2 PHE 39 HB2 PHE 39 34.052 7.279 24.467 266 HB3 PHE 39 HB1 PHE 39 32.391 7.784 24.777 267 HD1 PHE 39 HD1 PHE 39 31.964 10.344 25.000 268 HD2 PHE 39 HD2 PHE 39 35.471 8.647 23.190 269 HE1 PHE 39 HE1 PHE 39 32.390 12.483 23.820 270 HE2 PHE 39 HE2 PHE 39 35.897 10.787 22.011 271 HZ PHE 39 HZ PHE 39 34.357 12.705 22.326 272 H LEU 40 HN LEU 40 32.259 6.179 26.611 273 HA LEU 40 HA LEU 40 29.970 7.481 27.741 274 HB2 LEU 40 HB2 LEU 40 29.183 5.101 28.088 275 HB3 LEU 40 HB1 LEU 40 29.568 5.535 26.422 276 HG LEU 40 HG LEU 40 31.933 4.580 27.797 277 HD11 LEU 40 HD11 LEU 40 30.448 3.261 29.174 278 HD12 LEU 40 HD12 LEU 40 31.141 2.189 27.956 279 HD13 LEU 40 HD13 LEU 40 29.492 2.785 27.771 280 HD21 LEU 40 HD21 LEU 40 30.326 3.544 25.439 281 HD22 LEU 40 HD22 LEU 40 31.965 3.039 25.853 282 HD23 LEU 40 HD23 LEU 40 31.654 4.702 25.355 283 H LEU 41 HN LEU 41 32.899 6.739 29.051 284 HA LEU 41 HA LEU 41 31.848 5.998 31.687 285 HB2 LEU 41 HB2 LEU 41 33.689 4.689 31.522 286 HB3 LEU 41 HB1 LEU 41 34.407 5.690 30.269 287 HG LEU 41 HG LEU 41 35.219 7.279 31.965 288 HD11 LEU 41 HD11 LEU 41 34.291 7.380 34.023 289 HD12 LEU 41 HD12 LEU 41 34.777 5.717 34.338 290 HD13 LEU 41 HD13 LEU 41 33.217 6.049 33.593 291 HD21 LEU 41 HD21 LEU 41 36.477 5.146 31.367 292 HD22 LEU 41 HD22 LEU 41 35.873 4.476 32.882 293 HD23 LEU 41 HD23 LEU 41 36.918 5.895 32.902 294 H GLY 42 HN GLY 42 33.622 8.561 30.028 295 HA2 GLY 42 HA2 GLY 42 33.564 10.206 32.464 296 HA3 GLY 42 HA1 GLY 42 34.515 10.534 31.021 297 H THR 43 HN THR 43 31.217 9.579 30.559 298 HA THR 43 HA THR 43 30.613 12.228 29.502 299 HB THR 43 HB THR 43 30.005 10.275 28.159 300 HG1 THR 43 HG1 THR 43 28.394 12.215 28.897 301 HG21 THR 43 HG21 THR 43 29.697 8.713 30.074 302 HG22 THR 43 HG22 THR 43 28.352 8.664 28.937 303 HG23 THR 43 HG23 THR 43 28.185 9.525 30.462 304 H THR 44 HN THR 44 27.703 11.586 30.056 305 HA THR 44 HA THR 44 26.178 12.602 31.487 306 HB THR 44 HB THR 44 26.065 11.361 33.635 307 HG1 THR 44 HG1 THR 44 28.564 10.421 32.702 308 HG21 THR 44 HG21 THR 44 26.567 9.044 32.089 309 HG22 THR 44 HG22 THR 44 26.024 10.289 30.963 310 HG23 THR 44 HG23 THR 44 25.018 9.849 32.344 311 H GLY 45 HN GLY 45 28.493 12.021 34.045 312 HA2 GLY 45 HA2 GLY 45 29.133 14.874 34.262 313 HA3 GLY 45 HA1 GLY 45 28.277 14.134 35.612 314 H ASN 46 HN ASN 46 29.465 11.638 35.705 315 HA ASN 46 HA ASN 46 31.212 10.694 36.901 316 HB2 ASN 46 HB2 ASN 46 33.310 10.672 35.614 317 HB3 ASN 46 HB1 ASN 46 31.915 10.401 34.571 318 HD21 ASN 46 HD21 ASN 46 31.147 12.311 33.278 319 HD22 ASN 46 HD22 ASN 46 32.254 13.533 32.874 320 H GLY 47 HN GLY 47 31.001 12.100 38.756 321 HA2 GLY 47 HA2 GLY 47 33.317 13.127 39.778 322 HA3 GLY 47 HA1 GLY 47 32.581 14.499 38.955 323 H LEU 48 HN LEU 48 29.856 13.370 39.530 324 HA LEU 48 HA LEU 48 29.660 13.556 42.435 325 HB2 LEU 48 HB2 LEU 48 29.647 15.921 41.477 326 HB3 LEU 48 HB1 LEU 48 28.106 15.502 40.727 327 HG LEU 48 HG LEU 48 27.667 14.635 43.268 328 HD11 LEU 48 HD11 LEU 48 29.979 15.652 43.816 329 HD12 LEU 48 HD12 LEU 48 28.633 16.091 44.869 330 HD13 LEU 48 HD13 LEU 48 29.190 17.218 43.631 331 HD21 LEU 48 HD21 LEU 48 26.510 16.878 43.576 332 HD22 LEU 48 HD22 LEU 48 26.117 16.039 42.076 333 HD23 LEU 48 HD23 LEU 48 27.257 17.385 42.061 334 H VAL 49 HN VAL 49 28.238 13.003 39.294 335 HA VAL 49 HA VAL 49 25.621 12.364 39.906 336 HB VAL 49 HB VAL 49 27.512 11.088 37.924 337 HG11 VAL 49 HG11 VAL 49 24.628 10.568 38.559 338 HG12 VAL 49 HG12 VAL 49 25.885 9.433 38.069 339 HG13 VAL 49 HG13 VAL 49 25.151 10.504 36.875 340 HG21 VAL 49 HG21 VAL 49 25.266 13.113 37.643 341 HG22 VAL 49 HG22 VAL 49 26.262 12.494 36.326 342 HG23 VAL 49 HG23 VAL 49 26.989 13.484 37.591 343 H LEU 50 HN LEU 50 28.510 10.712 40.813 344 HA LEU 50 HA LEU 50 27.176 8.202 41.417 345 HB2 LEU 50 HB2 LEU 50 29.951 9.043 42.260 346 HB3 LEU 50 HB1 LEU 50 29.322 7.406 42.074 347 HG LEU 50 HG LEU 50 29.710 9.420 39.840 348 HD11 LEU 50 HD11 LEU 50 31.452 7.468 41.074 349 HD12 LEU 50 HD12 LEU 50 31.814 8.620 39.789 350 HD13 LEU 50 HD13 LEU 50 31.148 7.036 39.392 351 HD21 LEU 50 HD21 LEU 50 28.466 6.683 39.993 352 HD22 LEU 50 HD22 LEU 50 29.254 7.208 38.505 353 HD23 LEU 50 HD23 LEU 50 27.886 8.118 39.147 354 H TRP 51 HN TRP 51 28.575 10.935 43.200 355 HA TRP 51 HA TRP 51 28.389 10.113 45.798 356 HB2 TRP 51 HB2 TRP 51 29.029 12.253 45.995 357 HB3 TRP 51 HB1 TRP 51 28.350 12.661 44.419 358 HD1 TRP 51 HD1 TRP 51 25.707 13.285 44.360 359 HE1 TRP 51 HE1 TRP 51 24.216 14.374 46.160 360 HE3 TRP 51 HE3 TRP 51 28.602 12.503 48.493 361 HZ2 TRP 51 HZ2 TRP 51 24.247 14.849 48.981 362 HZ3 TRP 51 HZ3 TRP 51 27.848 13.283 50.721 363 HH2 TRP 51 HH2 TRP 51 25.677 14.453 50.970 364 H THR 52 HN THR 52 25.739 11.187 43.716 365 HA THR 52 HA THR 52 23.739 11.110 45.754 366 HB THR 52 HB THR 52 23.624 11.138 42.739 367 HG1 THR 52 HG1 THR 52 24.018 13.126 43.394 368 HG21 THR 52 HG21 THR 52 21.627 10.034 43.166 369 HG22 THR 52 HG22 THR 52 21.117 11.713 43.333 370 HG23 THR 52 HG23 THR 52 21.455 10.748 44.769 371 H VAL 53 HN VAL 53 24.790 8.841 43.237 372 HA VAL 53 HA VAL 53 22.824 6.860 43.793 373 HB VAL 53 HB VAL 53 25.550 6.604 42.499 374 HG11 VAL 53 HG11 VAL 53 23.366 4.686 43.085 375 HG12 VAL 53 HG12 VAL 53 25.084 4.389 42.816 376 HG13 VAL 53 HG13 VAL 53 24.004 4.632 41.442 377 HG21 VAL 53 HG21 VAL 53 23.198 6.397 40.797 378 HG22 VAL 53 HG22 VAL 53 24.599 7.457 40.635 379 HG23 VAL 53 HG23 VAL 53 23.237 7.943 41.645 380 H PHE 54 HN PHE 54 25.994 7.579 45.105 381 HA PHE 54 HA PHE 54 26.111 5.096 46.617 382 HB2 PHE 54 HB2 PHE 54 28.215 5.919 45.826 383 HB3 PHE 54 HB1 PHE 54 27.905 7.525 46.488 384 HD1 PHE 54 HD2 PHE 54 28.263 3.942 47.510 385 HD2 PHE 54 HD1 PHE 54 28.619 8.066 48.658 386 HE1 PHE 54 HE2 PHE 54 29.286 3.254 49.662 387 HE2 PHE 54 HE1 PHE 54 29.642 7.378 50.811 388 HZ PHE 54 HZ PHE 54 29.975 4.972 51.312 389 H ARG 55 HN ARG 55 24.522 7.998 46.952 390 HA ARG 55 HA ARG 55 24.727 8.055 49.884 391 HB2 ARG 55 HB2 ARG 55 23.703 9.973 47.812 392 HB3 ARG 55 HB1 ARG 55 23.190 10.124 49.493 393 HG2 ARG 55 HG2 ARG 55 26.104 9.753 49.022 394 HG3 ARG 55 HG1 ARG 55 25.419 11.309 48.552 395 HD2 ARG 55 HD2 ARG 55 26.283 11.001 50.998 396 HD3 ARG 55 HD1 ARG 55 24.750 11.825 50.732 397 HE ARG 55 HE ARG 55 23.985 9.242 51.039 398 HH11 ARG 55 HH21 ARG 55 26.071 11.357 52.813 399 HH12 ARG 55 HH22 ARG 55 25.746 10.617 54.345 400 HH21 ARG 55 HH11 ARG 55 23.553 8.267 53.045 401 HH22 ARG 55 HH12 ARG 55 24.320 8.867 54.477 402 H LYS 56 HN LYS 56 22.301 7.809 47.295 403 HA LYS 56 HA LYS 56 20.012 7.558 48.863 404 HB2 LYS 56 HB2 LYS 56 20.660 6.234 46.218 405 HB3 LYS 56 HB1 LYS 56 19.047 6.341 46.924 406 HG2 LYS 56 HG2 LYS 56 20.508 8.906 46.778 407 HG3 LYS 56 HG1 LYS 56 20.087 8.202 45.216 408 HD2 LYS 56 HD2 LYS 56 17.761 8.143 45.759 409 HD3 LYS 56 HD1 LYS 56 18.080 8.482 47.460 410 HE2 LYS 56 HE2 LYS 56 18.331 10.724 47.102 411 HE3 LYS 56 HE1 LYS 56 19.128 10.488 45.547 412 HZ1 LYS 56 HZ1 LYS 56 16.649 9.601 45.041 413 HZ2 LYS 56 HZ2 LYS 56 17.184 11.182 44.724 414 HZ3 LYS 56 HZ3 LYS 56 16.325 10.842 46.150 415 H LYS 57 HN LYS 57 21.875 4.874 47.411 416 HA LYS 57 HA LYS 57 20.568 2.837 48.864 417 HB2 LYS 57 HB2 LYS 57 23.259 2.936 47.495 418 HB3 LYS 57 HB1 LYS 57 22.606 1.471 48.230 419 HG2 LYS 57 HG2 LYS 57 20.971 1.230 46.630 420 HG3 LYS 57 HG1 LYS 57 20.818 2.968 46.373 421 HD2 LYS 57 HD2 LYS 57 22.798 3.045 45.040 422 HD3 LYS 57 HD1 LYS 57 23.270 1.416 45.525 423 HE2 LYS 57 HE2 LYS 57 20.598 1.627 44.272 424 HE3 LYS 57 HE1 LYS 57 21.956 1.981 43.204 425 HZ1 LYS 57 HZ1 LYS 57 22.964 -0.119 43.848 426 HZ2 LYS 57 HZ2 LYS 57 21.418 -0.370 43.187 427 HZ3 LYS 57 HZ3 LYS 57 21.651 -0.461 44.868 428 H GLY 58 HN GLY 58 20.633 4.078 50.973 429 HA2 GLY 58 HA2 GLY 58 23.183 3.809 52.409 430 HA3 GLY 58 HA1 GLY 58 21.774 4.710 52.961 431 H HIS 59 HN HIS 59 21.312 3.779 54.884 432 HA HIS 59 HA HIS 59 20.599 0.917 54.849 433 HB2 HIS 59 HB2 HIS 59 22.207 2.318 56.996 434 HB3 HIS 59 HB1 HIS 59 21.584 0.673 57.104 435 HD2 HIS 59 HD2 HIS 59 24.122 2.639 54.743 436 HE1 HIS 59 HE1 HIS 59 25.110 -1.466 54.731 437 HE2 HIS 59 HE2 HIS 59 25.800 0.829 53.890 438 H HIS 60 HN HIS 60 20.726 3.141 57.572 439 HA HIS 60 HA HIS 60 17.947 3.805 57.481 440 HB2 HIS 60 HB2 HIS 60 18.801 1.408 58.915 441 HB3 HIS 60 HB1 HIS 60 17.941 2.553 59.944 442 HD2 HIS 60 HD2 HIS 60 15.467 3.540 58.320 443 HE1 HIS 60 HE1 HIS 60 14.897 -0.396 56.904 444 HE2 HIS 60 HE2 HIS 60 13.804 1.879 57.182 445 H HIS 61 HN HIS 61 17.321 4.709 59.806 446 HA HIS 61 HA HIS 61 19.407 6.652 60.438 447 HB2 HIS 61 HB2 HIS 61 17.589 7.711 61.807 448 HB3 HIS 61 HB1 HIS 61 17.198 7.553 60.095 449 HD2 HIS 61 HD2 HIS 61 14.568 6.739 59.976 450 HE1 HIS 61 HE1 HIS 61 14.631 3.996 63.186 451 HE2 HIS 61 HE2 HIS 61 13.193 4.990 61.344 452 H HIS 62 HN HIS 62 20.187 7.027 62.539 453 HA HIS 62 HA HIS 62 20.813 4.764 64.063 454 HB2 HIS 62 HB2 HIS 62 21.893 7.132 64.032 455 HB3 HIS 62 HB1 HIS 62 20.704 7.510 65.279 456 HD2 HIS 62 HD2 HIS 62 23.368 4.564 64.805 457 HE1 HIS 62 HE1 HIS 62 23.117 5.597 68.891 458 HE2 HIS 62 HE2 HIS 62 24.277 4.090 67.207 459 H HIS 63 HN HIS 63 20.335 5.438 66.713 460 HA HIS 63 HA HIS 63 18.794 4.794 68.319 461 HB2 HIS 63 HB2 HIS 63 18.410 7.240 68.017 462 HB3 HIS 63 HB1 HIS 63 17.139 6.862 66.854 463 HD2 HIS 63 HD2 HIS 63 17.746 5.361 70.508 464 HE1 HIS 63 HE1 HIS 63 13.726 6.599 70.145 465 HE2 HIS 63 HE2 HIS 63 15.423 5.511 71.690 466 H HIS 64 HN HIS 64 18.331 2.663 67.719 467 HA HIS 64 HA HIS 64 17.002 0.903 67.078 468 HB2 HIS 64 HB2 HIS 64 15.293 2.906 68.095 469 HB3 HIS 64 HB1 HIS 64 14.517 2.288 66.637 470 HD2 HIS 64 HD2 HIS 64 14.277 -0.681 66.679 471 HE1 HIS 64 HE1 HIS 64 14.350 -0.818 70.899 472 HE2 HIS 64 HE2 HIS 64 13.834 -2.145 68.796 Start of MODEL 36 1 H1 MET 1 HT1 MET 1 20.400 -11.487 -35.602 2 H2 MET 1 HT2 MET 1 18.949 -12.230 -35.123 3 H3 MET 1 HT3 MET 1 20.327 -13.173 -35.435 4 HA MET 1 HA MET 1 20.200 -13.077 -33.117 5 HB2 MET 1 HB2 MET 1 22.145 -11.119 -34.327 6 HB3 MET 1 HB1 MET 1 22.116 -11.398 -32.585 7 HG2 MET 1 HG2 MET 1 22.800 -13.613 -32.790 8 HG3 MET 1 HG1 MET 1 22.184 -13.758 -34.437 9 HE1 MET 1 HE1 MET 1 25.197 -13.560 -32.325 10 HE2 MET 1 HE2 MET 1 24.674 -11.885 -32.162 11 HE3 MET 1 HE3 MET 1 26.202 -12.249 -32.958 12 H GLU 2 HN GLU 2 18.065 -12.284 -32.628 13 HA GLU 2 HA GLU 2 18.105 -9.529 -31.587 14 HB2 GLU 2 HB2 GLU 2 15.659 -10.702 -32.894 15 HB3 GLU 2 HB1 GLU 2 15.985 -9.017 -32.481 16 HG2 GLU 2 HG2 GLU 2 17.833 -8.998 -34.151 17 HG3 GLU 2 HG1 GLU 2 17.404 -10.646 -34.608 18 H GLU 3 HN GLU 3 15.295 -9.814 -30.862 19 HA GLU 3 HA GLU 3 14.101 -10.377 -28.974 20 HB2 GLU 3 HB2 GLU 3 15.391 -13.090 -29.306 21 HB3 GLU 3 HB1 GLU 3 13.826 -12.720 -28.581 22 HG2 GLU 3 HG2 GLU 3 13.461 -11.604 -31.011 23 HG3 GLU 3 HG1 GLU 3 14.595 -12.879 -31.447 24 H GLY 4 HN GLY 4 15.748 -8.914 -27.891 25 HA2 GLY 4 HA2 GLY 4 16.387 -9.753 -25.365 26 HA3 GLY 4 HA1 GLY 4 17.822 -10.133 -26.313 27 H GLY 5 HN GLY 5 17.505 -7.892 -28.136 28 HA2 GLY 5 HA2 GLY 5 17.690 -5.545 -28.203 29 HA3 GLY 5 HA1 GLY 5 17.698 -5.516 -26.443 30 H ASP 6 HN ASP 6 19.519 -3.952 -27.069 31 HA ASP 6 HA ASP 6 22.027 -5.258 -27.788 32 HB2 ASP 6 HB2 ASP 6 22.905 -3.122 -28.092 33 HB3 ASP 6 HB1 ASP 6 21.211 -2.888 -28.521 34 H PHE 7 HN PHE 7 23.471 -5.974 -26.357 35 HA PHE 7 HA PHE 7 24.313 -6.598 -24.295 36 HB2 PHE 7 HB2 PHE 7 24.913 -3.990 -24.848 37 HB3 PHE 7 HB1 PHE 7 24.163 -3.846 -23.257 38 HD1 PHE 7 HD2 PHE 7 26.731 -5.816 -25.139 39 HD2 PHE 7 HD1 PHE 7 25.381 -4.385 -21.320 40 HE1 PHE 7 HE2 PHE 7 28.803 -6.678 -24.083 41 HE2 PHE 7 HE1 PHE 7 27.452 -5.248 -20.264 42 HZ PHE 7 HZ PHE 7 29.163 -6.395 -21.645 43 H ASP 8 HN ASP 8 24.036 -5.635 -21.755 44 HA ASP 8 HA ASP 8 21.238 -5.330 -21.078 45 HB2 ASP 8 HB2 ASP 8 21.386 -7.761 -21.458 46 HB3 ASP 8 HB1 ASP 8 22.707 -7.859 -20.295 47 H ASN 9 HN ASN 9 23.482 -3.711 -20.623 48 HA ASN 9 HA ASN 9 24.663 -2.632 -18.968 49 HB2 ASN 9 HB2 ASN 9 22.114 -2.461 -18.343 50 HB3 ASN 9 HB1 ASN 9 22.578 -3.516 -17.010 51 HD21 ASN 9 HD21 ASN 9 23.484 -0.394 -18.553 52 HD22 ASN 9 HD22 ASN 9 24.065 0.310 -17.123 53 H TYR 10 HN TYR 10 25.524 -5.268 -19.431 54 HA TYR 10 HA TYR 10 26.661 -7.036 -18.473 55 HB2 TYR 10 HB2 TYR 10 27.954 -4.797 -17.929 56 HB3 TYR 10 HB1 TYR 10 27.495 -5.192 -16.272 57 HD1 TYR 10 HD1 TYR 10 28.984 -6.765 -19.333 58 HD2 TYR 10 HD2 TYR 10 28.813 -6.687 -15.041 59 HE1 TYR 10 HE1 TYR 10 30.806 -8.444 -19.230 60 HE2 TYR 10 HE2 TYR 10 30.635 -8.366 -14.938 61 HH TYR 10 HH TYR 10 32.645 -9.046 -17.383 62 H TYR 11 HN TYR 11 27.299 -7.797 -15.968 63 HA TYR 11 HA TYR 11 24.964 -7.673 -14.253 64 HB2 TYR 11 HB2 TYR 11 24.065 -9.651 -14.795 65 HB3 TYR 11 HB1 TYR 11 25.203 -9.755 -16.140 66 HD1 TYR 11 HD1 TYR 11 27.599 -10.609 -15.590 67 HD2 TYR 11 HD2 TYR 11 24.201 -11.189 -13.026 68 HE1 TYR 11 HE1 TYR 11 28.772 -12.478 -14.458 69 HE2 TYR 11 HE2 TYR 11 25.375 -13.058 -11.893 70 HH TYR 11 HH TYR 11 27.367 -14.085 -11.631 71 H GLY 12 HN GLY 12 25.328 -8.854 -12.199 72 HA2 GLY 12 HA2 GLY 12 26.648 -9.601 -10.442 73 HA3 GLY 12 HA1 GLY 12 28.011 -9.705 -11.551 74 H ALA 13 HN ALA 13 27.874 -7.004 -12.500 75 HA ALA 13 HA ALA 13 29.201 -5.690 -10.267 76 HB1 ALA 13 HB1 ALA 13 30.075 -4.191 -11.851 77 HB2 ALA 13 HB2 ALA 13 28.762 -4.488 -12.990 78 HB3 ALA 13 HB3 ALA 13 29.996 -5.720 -12.729 79 H ASP 14 HN ASP 14 26.934 -5.724 -9.203 80 HA ASP 14 HA ASP 14 25.740 -3.076 -9.669 81 HB2 ASP 14 HB2 ASP 14 23.948 -5.400 -9.052 82 HB3 ASP 14 HB1 ASP 14 23.553 -3.854 -9.803 83 H ASN 15 HN ASN 15 27.588 -3.758 -7.688 84 HA ASN 15 HA ASN 15 26.034 -3.150 -5.315 85 HB2 ASN 15 HB2 ASN 15 26.076 -5.673 -5.472 86 HB3 ASN 15 HB1 ASN 15 27.827 -5.582 -5.283 87 HD21 ASN 15 HD21 ASN 15 24.877 -4.261 -3.658 88 HD22 ASN 15 HD22 ASN 15 25.488 -4.457 -2.087 89 H GLN 16 HN GLN 16 28.049 -1.829 -6.951 90 HA GLN 16 HA GLN 16 30.632 -1.889 -5.933 91 HB2 GLN 16 HB2 GLN 16 29.445 -0.429 -7.834 92 HB3 GLN 16 HB1 GLN 16 29.461 0.778 -6.548 93 HG2 GLN 16 HG2 GLN 16 31.535 1.139 -7.549 94 HG3 GLN 16 HG1 GLN 16 31.959 0.025 -6.252 95 HE21 GLN 16 HE21 GLN 16 30.367 -2.063 -8.069 96 HE22 GLN 16 HE22 GLN 16 31.570 -2.558 -9.160 97 H SER 17 HN SER 17 27.718 -0.660 -4.502 98 HA SER 17 HA SER 17 28.755 1.158 -2.641 99 HB2 SER 17 HB2 SER 17 26.354 -0.669 -2.544 100 HB3 SER 17 HB1 SER 17 26.719 0.486 -1.265 101 HG SER 17 HG SER 17 25.522 0.918 -3.593 102 H GLU 18 HN GLU 18 30.673 0.452 -1.723 103 HA GLU 18 HA GLU 18 30.356 -1.541 0.401 104 HB2 GLU 18 HB2 GLU 18 31.250 -2.903 -1.359 105 HB3 GLU 18 HB1 GLU 18 32.452 -1.680 -1.773 106 HG2 GLU 18 HG2 GLU 18 33.700 -2.066 0.187 107 HG3 GLU 18 HG1 GLU 18 32.354 -2.872 0.993 108 H CYS 19 HN CYS 19 31.567 -1.111 2.199 109 HA CYS 19 HA CYS 19 33.871 0.557 2.226 110 HB2 CYS 19 HB2 CYS 19 31.241 1.848 2.492 111 HB3 CYS 19 HB1 CYS 19 32.375 2.237 3.784 112 HG CYS 19 HG CYS 19 32.515 3.459 1.116 113 H GLU 20 HN GLU 20 34.909 0.483 4.189 114 HA GLU 20 HA GLU 20 35.385 -0.164 6.341 115 HB2 GLU 20 HB2 GLU 20 32.485 -0.726 6.874 116 HB3 GLU 20 HB1 GLU 20 33.720 -0.108 7.969 117 HG2 GLU 20 HG2 GLU 20 33.736 1.864 6.119 118 HG3 GLU 20 HG1 GLU 20 32.057 1.345 5.983 119 H TYR 21 HN TYR 21 32.970 -2.114 4.640 120 HA TYR 21 HA TYR 21 33.336 -4.529 6.019 121 HB2 TYR 21 HB2 TYR 21 31.656 -3.777 4.091 122 HB3 TYR 21 HB1 TYR 21 32.844 -4.600 3.080 123 HD1 TYR 21 HD1 TYR 21 30.618 -5.023 6.036 124 HD2 TYR 21 HD2 TYR 21 33.008 -6.973 3.046 125 HE1 TYR 21 HE1 TYR 21 29.688 -7.217 6.723 126 HE2 TYR 21 HE2 TYR 21 32.077 -9.167 3.734 127 HH TYR 21 HH TYR 21 31.039 -10.156 5.798 128 H THR 22 HN THR 22 35.352 -2.878 3.757 129 HA THR 22 HA THR 22 37.003 -5.282 3.336 130 HB THR 22 HB THR 22 37.892 -2.860 1.983 131 HG1 THR 22 HG1 THR 22 36.114 -2.408 0.887 132 HG21 THR 22 HG21 THR 22 38.521 -5.226 1.457 133 HG22 THR 22 HG22 THR 22 37.876 -4.352 0.068 134 HG23 THR 22 HG23 THR 22 36.861 -5.507 0.931 135 H ASP 23 HN ASP 23 36.748 -2.985 5.592 136 HA ASP 23 HA ASP 23 39.632 -3.055 6.170 137 HB2 ASP 23 HB2 ASP 23 38.944 -0.856 5.067 138 HB3 ASP 23 HB1 ASP 23 38.013 -0.535 6.528 139 H TRP 24 HN TRP 24 37.025 -4.292 7.168 140 HA TRP 24 HA TRP 24 36.248 -3.321 9.638 141 HB2 TRP 24 HB2 TRP 24 35.969 -5.882 10.167 142 HB3 TRP 24 HB1 TRP 24 34.978 -5.119 8.928 143 HD1 TRP 24 HD1 TRP 24 38.635 -5.808 8.170 144 HE1 TRP 24 HE1 TRP 24 38.788 -7.663 6.391 145 HE3 TRP 24 HE3 TRP 24 33.743 -7.266 7.991 146 HZ2 TRP 24 HZ2 TRP 24 37.065 -9.522 5.065 147 HZ3 TRP 24 HZ3 TRP 24 33.028 -9.080 6.461 148 HH2 TRP 24 HH2 TRP 24 34.681 -10.208 4.999 149 H LYS 25 HN LYS 25 37.796 -6.344 10.128 150 HA LYS 25 HA LYS 25 39.179 -5.521 12.423 151 HB2 LYS 25 HB2 LYS 25 40.427 -7.691 12.159 152 HB3 LYS 25 HB1 LYS 25 38.672 -7.850 12.126 153 HG2 LYS 25 HG2 LYS 25 39.878 -7.353 9.482 154 HG3 LYS 25 HG1 LYS 25 40.383 -8.871 10.219 155 HD2 LYS 25 HD2 LYS 25 37.465 -8.119 10.180 156 HD3 LYS 25 HD1 LYS 25 38.215 -8.829 8.755 157 HE2 LYS 25 HE2 LYS 25 38.213 -10.056 11.527 158 HE3 LYS 25 HE1 LYS 25 37.217 -10.577 10.170 159 HZ1 LYS 25 HZ1 LYS 25 38.902 -11.918 9.675 160 HZ2 LYS 25 HZ2 LYS 25 39.976 -11.120 10.722 161 HZ3 LYS 25 HZ3 LYS 25 39.731 -10.538 9.144 162 H SER 26 HN SER 26 41.495 -7.198 10.765 163 HA SER 26 HA SER 26 43.467 -6.637 9.690 164 HB2 SER 26 HB2 SER 26 41.830 -4.785 8.657 165 HB3 SER 26 HB1 SER 26 42.852 -3.728 9.628 166 HG SER 26 HG SER 26 43.458 -5.280 7.402 167 H SER 27 HN SER 27 42.739 -6.327 12.634 168 HA SER 27 HA SER 27 44.023 -5.975 14.524 169 HB2 SER 27 HB2 SER 27 46.111 -4.438 13.063 170 HB3 SER 27 HB1 SER 27 46.284 -5.651 14.329 171 HG SER 27 HG SER 27 46.104 -7.225 12.866 172 H GLY 28 HN GLY 28 42.720 -3.701 12.490 173 HA2 GLY 28 HA2 GLY 28 43.485 -1.305 13.904 174 HA3 GLY 28 HA1 GLY 28 42.242 -1.436 12.663 175 H ALA 29 HN ALA 29 41.132 -3.780 14.319 176 HA ALA 29 HA ALA 29 39.219 -2.207 15.784 177 HB1 ALA 29 HB1 ALA 29 39.627 -5.191 15.510 178 HB2 ALA 29 HB2 ALA 29 38.435 -4.195 14.676 179 HB3 ALA 29 HB3 ALA 29 38.299 -4.463 16.415 180 H LEU 30 HN LEU 30 42.298 -3.115 16.501 181 HA LEU 30 HA LEU 30 41.761 -3.557 19.365 182 HB2 LEU 30 HB2 LEU 30 44.431 -3.789 17.978 183 HB3 LEU 30 HB1 LEU 30 43.946 -4.470 19.532 184 HG LEU 30 HG LEU 30 42.843 -5.263 16.820 185 HD11 LEU 30 HD11 LEU 30 44.580 -6.694 16.777 186 HD12 LEU 30 HD12 LEU 30 43.950 -7.445 18.242 187 HD13 LEU 30 HD13 LEU 30 45.123 -6.135 18.358 188 HD21 LEU 30 HD21 LEU 30 41.869 -7.143 18.367 189 HD22 LEU 30 HD22 LEU 30 41.047 -5.584 18.294 190 HD23 LEU 30 HD23 LEU 30 42.105 -5.961 19.654 191 H ILE 31 HN ILE 31 41.145 -1.219 19.403 192 HA ILE 31 HA ILE 31 42.925 0.346 20.767 193 HB ILE 31 HB ILE 31 43.552 0.408 17.935 194 HG12 ILE 31 HG12 ILE 31 45.113 0.256 19.926 195 HG13 ILE 31 HG11 ILE 31 45.561 1.468 18.732 196 HG21 ILE 31 HG21 ILE 31 42.063 2.335 17.752 197 HG22 ILE 31 HG22 ILE 31 43.733 2.878 17.703 198 HG23 ILE 31 HG23 ILE 31 42.793 3.081 19.175 199 HD11 ILE 31 HD11 ILE 31 43.760 2.516 20.798 200 HD12 ILE 31 HD12 ILE 31 45.290 3.160 20.208 201 HD13 ILE 31 HD13 ILE 31 45.280 1.910 21.451 202 HA PRO 32 HA PRO 32 39.226 2.993 19.064 203 HB2 PRO 32 HB2 PRO 32 37.447 0.942 17.920 204 HB3 PRO 32 HB1 PRO 32 37.963 2.492 17.232 205 HG2 PRO 32 HG2 PRO 32 38.826 0.136 16.279 206 HG3 PRO 32 HG1 PRO 32 39.831 1.595 16.268 207 HD2 PRO 32 HD2 PRO 32 39.934 -0.752 18.135 208 HD3 PRO 32 HD1 PRO 32 41.273 0.188 17.436 209 H ALA 33 HN ALA 33 39.001 -0.211 20.397 210 HA ALA 33 HA ALA 33 36.501 0.169 21.763 211 HB1 ALA 33 HB1 ALA 33 38.665 -1.824 22.453 212 HB2 ALA 33 HB2 ALA 33 37.525 -2.065 21.129 213 HB3 ALA 33 HB3 ALA 33 36.938 -1.944 22.787 214 H ILE 34 HN ILE 34 39.741 1.125 22.324 215 HA ILE 34 HA ILE 34 39.348 1.454 25.206 216 HB ILE 34 HB ILE 34 41.711 1.857 23.370 217 HG12 ILE 34 HG12 ILE 34 41.469 0.135 25.842 218 HG13 ILE 34 HG11 ILE 34 40.946 -0.447 24.261 219 HG21 ILE 34 HG21 ILE 34 41.999 3.620 24.905 220 HG22 ILE 34 HG22 ILE 34 42.887 2.290 25.649 221 HG23 ILE 34 HG23 ILE 34 41.275 2.707 26.229 222 HD11 ILE 34 HD11 ILE 34 43.705 0.691 24.759 223 HD12 ILE 34 HD12 ILE 34 43.148 -0.203 23.345 224 HD13 ILE 34 HD13 ILE 34 43.341 -1.029 24.891 225 H TYR 35 HN TYR 35 39.190 3.254 22.266 226 HA TYR 35 HA TYR 35 39.628 5.858 23.331 227 HB2 TYR 35 HB2 TYR 35 39.122 4.734 20.796 228 HB3 TYR 35 HB1 TYR 35 37.812 5.877 21.092 229 HD1 TYR 35 HD1 TYR 35 38.478 8.224 21.994 230 HD2 TYR 35 HD2 TYR 35 41.230 5.514 20.114 231 HE1 TYR 35 HE1 TYR 35 40.016 10.111 21.526 232 HE2 TYR 35 HE2 TYR 35 42.769 7.401 19.646 233 HH TYR 35 HH TYR 35 41.822 10.672 19.993 234 H MET 36 HN MET 36 36.764 3.834 22.903 235 HA MET 36 HA MET 36 34.974 5.914 23.852 236 HB2 MET 36 HB2 MET 36 34.205 3.025 23.596 237 HB3 MET 36 HB1 MET 36 33.234 4.468 23.303 238 HG2 MET 36 HG2 MET 36 35.124 4.876 21.445 239 HG3 MET 36 HG1 MET 36 35.205 3.116 21.522 240 HE1 MET 36 HE1 MET 36 32.263 5.702 19.405 241 HE2 MET 36 HE2 MET 36 34.018 5.745 19.563 242 HE3 MET 36 HE3 MET 36 33.006 6.254 20.913 243 H LEU 37 HN LEU 37 36.334 2.866 25.054 244 HA LEU 37 HA LEU 37 34.980 2.497 27.400 245 HB2 LEU 37 HB2 LEU 37 36.848 1.063 26.549 246 HB3 LEU 37 HB1 LEU 37 37.987 2.284 27.109 247 HG LEU 37 HG LEU 37 37.086 2.027 29.422 248 HD11 LEU 37 HD11 LEU 37 35.806 -0.317 29.597 249 HD12 LEU 37 HD12 LEU 37 35.271 0.139 27.981 250 HD13 LEU 37 HD13 LEU 37 34.934 1.196 29.351 251 HD21 LEU 37 HD21 LEU 37 38.109 -0.462 28.027 252 HD22 LEU 37 HD22 LEU 37 38.026 -0.287 29.780 253 HD23 LEU 37 HD23 LEU 37 39.070 0.775 28.836 254 H VAL 38 HN VAL 38 37.200 5.056 26.610 255 HA VAL 38 HA VAL 38 37.343 5.970 29.388 256 HB VAL 38 HB VAL 38 38.559 7.179 26.894 257 HG11 VAL 38 HG11 VAL 38 38.958 7.637 29.863 258 HG12 VAL 38 HG12 VAL 38 38.411 8.809 28.663 259 HG13 VAL 38 HG13 VAL 38 40.076 8.228 28.632 260 HG21 VAL 38 HG21 VAL 38 40.124 5.562 26.998 261 HG22 VAL 38 HG22 VAL 38 39.207 4.777 28.284 262 HG23 VAL 38 HG23 VAL 38 40.447 5.965 28.685 263 H PHE 39 HN PHE 39 35.735 6.686 26.381 264 HA PHE 39 HA PHE 39 34.859 9.321 27.113 265 HB2 PHE 39 HB2 PHE 39 35.061 8.309 24.747 266 HB3 PHE 39 HB1 PHE 39 33.504 7.552 25.087 267 HD1 PHE 39 HD1 PHE 39 35.276 10.791 24.749 268 HD2 PHE 39 HD2 PHE 39 31.474 8.839 25.184 269 HE1 PHE 39 HE1 PHE 39 34.121 12.920 24.213 270 HE2 PHE 39 HE2 PHE 39 30.319 10.968 24.648 271 HZ PHE 39 HZ PHE 39 31.643 13.008 24.162 272 H LEU 40 HN LEU 40 32.854 6.449 26.450 273 HA LEU 40 HA LEU 40 30.571 7.315 27.769 274 HB2 LEU 40 HB2 LEU 40 29.923 4.935 27.873 275 HB3 LEU 40 HB1 LEU 40 30.594 5.355 26.298 276 HG LEU 40 HG LEU 40 32.842 4.624 27.720 277 HD11 LEU 40 HD11 LEU 40 31.185 3.826 29.514 278 HD12 LEU 40 HD12 LEU 40 32.376 2.649 28.963 279 HD13 LEU 40 HD13 LEU 40 30.719 2.572 28.364 280 HD21 LEU 40 HD21 LEU 40 32.428 3.944 25.445 281 HD22 LEU 40 HD22 LEU 40 31.007 3.015 25.923 282 HD23 LEU 40 HD23 LEU 40 32.616 2.471 26.397 283 H LEU 41 HN LEU 41 33.560 6.598 29.123 284 HA LEU 41 HA LEU 41 32.712 5.480 31.620 285 HB2 LEU 41 HB2 LEU 41 35.184 6.103 30.337 286 HB3 LEU 41 HB1 LEU 41 35.175 6.885 31.918 287 HG LEU 41 HG LEU 41 34.497 3.968 31.438 288 HD11 LEU 41 HD11 LEU 41 36.718 3.606 31.406 289 HD12 LEU 41 HD12 LEU 41 36.818 4.282 33.031 290 HD13 LEU 41 HD13 LEU 41 37.032 5.328 31.627 291 HD21 LEU 41 HD21 LEU 41 33.710 4.020 33.549 292 HD22 LEU 41 HD22 LEU 41 34.033 5.752 33.629 293 HD23 LEU 41 HD23 LEU 41 35.276 4.600 34.117 294 H GLY 42 HN GLY 42 33.110 8.718 30.351 295 HA2 GLY 42 HA2 GLY 42 31.859 9.788 32.780 296 HA3 GLY 42 HA1 GLY 42 33.402 10.475 32.281 297 H THR 43 HN THR 43 30.859 9.344 30.114 298 HA THR 43 HA THR 43 30.214 12.132 29.410 299 HB THR 43 HB THR 43 30.306 11.525 27.007 300 HG1 THR 43 HG1 THR 43 31.303 9.119 28.108 301 HG21 THR 43 HG21 THR 43 32.232 12.629 28.020 302 HG22 THR 43 HG22 THR 43 32.790 11.429 26.854 303 HG23 THR 43 HG23 THR 43 32.856 11.078 28.581 304 H THR 44 HN THR 44 29.360 8.983 27.997 305 HA THR 44 HA THR 44 26.678 9.514 27.563 306 HB THR 44 HB THR 44 26.366 7.050 27.550 307 HG1 THR 44 HG1 THR 44 28.355 5.854 27.957 308 HG21 THR 44 HG21 THR 44 28.071 6.584 25.804 309 HG22 THR 44 HG22 THR 44 28.915 8.063 26.263 310 HG23 THR 44 HG23 THR 44 27.294 8.150 25.575 311 H GLY 45 HN GLY 45 26.908 6.840 29.685 312 HA2 GLY 45 HA2 GLY 45 24.963 8.019 31.480 313 HA3 GLY 45 HA1 GLY 45 25.575 6.369 31.535 314 H ASN 46 HN ASN 46 27.934 6.188 32.209 315 HA ASN 46 HA ASN 46 29.321 6.319 34.059 316 HB2 ASN 46 HB2 ASN 46 30.514 8.456 34.175 317 HB3 ASN 46 HB1 ASN 46 30.290 7.955 32.501 318 HD21 ASN 46 HD21 ASN 46 28.537 9.065 31.259 319 HD22 ASN 46 HD22 ASN 46 28.029 10.613 31.734 320 H GLY 47 HN GLY 47 28.069 5.833 35.836 321 HA2 GLY 47 HA2 GLY 47 27.332 6.305 37.989 322 HA3 GLY 47 HA1 GLY 47 27.539 8.021 37.650 323 H LEU 48 HN LEU 48 25.918 7.657 35.126 324 HA LEU 48 HA LEU 48 23.327 8.120 36.367 325 HB2 LEU 48 HB2 LEU 48 24.524 9.331 34.292 326 HB3 LEU 48 HB1 LEU 48 23.629 8.093 33.410 327 HG LEU 48 HG LEU 48 21.624 8.845 34.926 328 HD11 LEU 48 HD11 LEU 48 22.895 11.533 34.810 329 HD12 LEU 48 HD12 LEU 48 23.473 10.443 36.070 330 HD13 LEU 48 HD13 LEU 48 21.765 10.873 35.993 331 HD21 LEU 48 HD21 LEU 48 21.278 9.236 32.669 332 HD22 LEU 48 HD22 LEU 48 22.786 10.132 32.487 333 HD23 LEU 48 HD23 LEU 48 21.389 10.901 33.240 334 H VAL 49 HN VAL 49 25.004 5.479 35.168 335 HA VAL 49 HA VAL 49 22.637 4.084 34.158 336 HB VAL 49 HB VAL 49 25.561 3.331 34.320 337 HG11 VAL 49 HG11 VAL 49 23.118 1.726 33.582 338 HG12 VAL 49 HG12 VAL 49 24.479 1.258 34.603 339 HG13 VAL 49 HG13 VAL 49 24.685 1.367 32.854 340 HG21 VAL 49 HG21 VAL 49 25.672 4.123 32.209 341 HG22 VAL 49 HG22 VAL 49 24.078 4.830 32.471 342 HG23 VAL 49 HG23 VAL 49 24.225 3.234 31.735 343 H LEU 50 HN LEU 50 24.519 4.392 37.027 344 HA LEU 50 HA LEU 50 23.422 1.917 38.168 345 HB2 LEU 50 HB2 LEU 50 25.333 3.866 39.467 346 HB3 LEU 50 HB1 LEU 50 25.003 2.201 39.943 347 HG LEU 50 HG LEU 50 25.741 1.871 37.327 348 HD11 LEU 50 HD11 LEU 50 26.322 4.320 37.243 349 HD12 LEU 50 HD12 LEU 50 27.681 3.253 36.890 350 HD13 LEU 50 HD13 LEU 50 27.548 4.018 38.473 351 HD21 LEU 50 HD21 LEU 50 28.038 1.318 38.372 352 HD22 LEU 50 HD22 LEU 50 26.634 0.470 39.022 353 HD23 LEU 50 HD23 LEU 50 27.324 1.835 39.901 354 H TRP 51 HN TRP 51 23.204 5.402 38.395 355 HA TRP 51 HA TRP 51 21.834 5.592 40.855 356 HB2 TRP 51 HB2 TRP 51 22.044 7.773 40.396 357 HB3 TRP 51 HB1 TRP 51 22.656 7.357 38.795 358 HD1 TRP 51 HD1 TRP 51 20.693 6.899 36.883 359 HE1 TRP 51 HE1 TRP 51 18.462 8.148 36.547 360 HE3 TRP 51 HE3 TRP 51 20.187 9.055 41.485 361 HZ2 TRP 51 HZ2 TRP 51 16.697 9.837 38.034 362 HZ3 TRP 51 HZ3 TRP 51 18.224 10.477 41.997 363 HH2 TRP 51 HH2 TRP 51 16.479 10.872 40.280 364 H THR 52 HN THR 52 20.795 4.738 37.640 365 HA THR 52 HA THR 52 17.976 5.062 38.205 366 HB THR 52 HB THR 52 19.209 5.189 35.903 367 HG1 THR 52 HG1 THR 52 17.102 5.410 35.736 368 HG21 THR 52 HG21 THR 52 20.096 2.784 36.342 369 HG22 THR 52 HG22 THR 52 19.498 3.174 34.729 370 HG23 THR 52 HG23 THR 52 18.482 2.268 35.850 371 H VAL 53 HN VAL 53 20.369 2.542 38.421 372 HA VAL 53 HA VAL 53 18.641 0.300 38.459 373 HB VAL 53 HB VAL 53 21.385 0.769 39.633 374 HG11 VAL 53 HG11 VAL 53 19.548 -1.602 39.753 375 HG12 VAL 53 HG12 VAL 53 20.649 -0.982 40.982 376 HG13 VAL 53 HG13 VAL 53 21.284 -1.870 39.597 377 HG21 VAL 53 HG21 VAL 53 22.106 -0.588 37.738 378 HG22 VAL 53 HG22 VAL 53 21.115 0.744 37.141 379 HG23 VAL 53 HG23 VAL 53 20.431 -0.876 37.267 380 H PHE 54 HN PHE 54 20.416 1.586 41.268 381 HA PHE 54 HA PHE 54 18.993 0.382 43.273 382 HB2 PHE 54 HB2 PHE 54 20.207 1.705 44.639 383 HB3 PHE 54 HB1 PHE 54 20.946 2.322 43.161 384 HD1 PHE 54 HD2 PHE 54 18.433 2.957 45.783 385 HD2 PHE 54 HD1 PHE 54 20.289 4.471 42.217 386 HE1 PHE 54 HE2 PHE 54 17.458 5.194 46.226 387 HE2 PHE 54 HE1 PHE 54 19.314 6.708 42.660 388 HZ PHE 54 HZ PHE 54 17.900 7.069 44.664 389 H ARG 55 HN ARG 55 18.028 3.112 41.310 390 HA ARG 55 HA ARG 55 15.787 3.844 42.962 391 HB2 ARG 55 HB2 ARG 55 16.876 5.501 41.520 392 HB3 ARG 55 HB1 ARG 55 16.445 4.558 40.095 393 HG2 ARG 55 HG2 ARG 55 14.158 5.110 41.843 394 HG3 ARG 55 HG1 ARG 55 14.907 6.570 41.195 395 HD2 ARG 55 HD2 ARG 55 14.583 5.868 38.951 396 HD3 ARG 55 HD1 ARG 55 14.249 4.207 39.433 397 HE ARG 55 HE ARG 55 12.067 4.834 39.964 398 HH11 ARG 55 HH21 ARG 55 14.067 7.572 39.281 399 HH12 ARG 55 HH22 ARG 55 12.747 8.688 39.193 400 HH21 ARG 55 HH11 ARG 55 10.328 6.293 39.849 401 HH22 ARG 55 HH12 ARG 55 10.630 7.964 39.513 402 H LYS 56 HN LYS 56 16.081 2.336 39.739 403 HA LYS 56 HA LYS 56 13.499 1.781 39.124 404 HB2 LYS 56 HB2 LYS 56 15.999 0.157 38.766 405 HB3 LYS 56 HB1 LYS 56 14.443 -0.473 38.223 406 HG2 LYS 56 HG2 LYS 56 15.186 2.330 37.473 407 HG3 LYS 56 HG1 LYS 56 15.947 0.997 36.602 408 HD2 LYS 56 HD2 LYS 56 12.985 0.905 37.007 409 HD3 LYS 56 HD1 LYS 56 13.625 2.011 35.792 410 HE2 LYS 56 HE2 LYS 56 14.468 0.297 34.475 411 HE3 LYS 56 HE1 LYS 56 14.643 -0.806 35.840 412 HZ1 LYS 56 HZ1 LYS 56 12.767 -1.698 35.049 413 HZ2 LYS 56 HZ2 LYS 56 12.361 -0.322 34.138 414 HZ3 LYS 56 HZ3 LYS 56 11.994 -0.386 35.795 415 H LYS 57 HN LYS 57 15.542 -0.475 41.000 416 HA LYS 57 HA LYS 57 13.301 -2.069 41.804 417 HB2 LYS 57 HB2 LYS 57 15.003 -3.111 43.361 418 HB3 LYS 57 HB1 LYS 57 15.423 -3.159 41.649 419 HG2 LYS 57 HG2 LYS 57 16.351 -0.689 42.843 420 HG3 LYS 57 HG1 LYS 57 16.971 -2.077 43.739 421 HD2 LYS 57 HD2 LYS 57 17.126 -1.812 40.724 422 HD3 LYS 57 HD1 LYS 57 18.439 -1.376 41.818 423 HE2 LYS 57 HE2 LYS 57 19.072 -3.527 41.992 424 HE3 LYS 57 HE1 LYS 57 17.448 -4.003 42.487 425 HZ1 LYS 57 HZ1 LYS 57 17.015 -3.643 39.924 426 HZ2 LYS 57 HZ2 LYS 57 17.582 -5.123 40.539 427 HZ3 LYS 57 HZ3 LYS 57 18.666 -4.021 39.832 428 H GLY 58 HN GLY 58 12.467 0.355 42.466 429 HA2 GLY 58 HA2 GLY 58 13.120 0.930 45.257 430 HA3 GLY 58 HA1 GLY 58 12.076 1.887 44.209 431 H HIS 59 HN HIS 59 12.264 -0.984 46.226 432 HA HIS 59 HA HIS 59 10.644 -2.319 47.172 433 HB2 HIS 59 HB2 HIS 59 10.199 0.299 47.862 434 HB3 HIS 59 HB1 HIS 59 8.624 -0.198 47.240 435 HD2 HIS 59 HD2 HIS 59 11.186 -2.135 49.624 436 HE1 HIS 59 HE1 HIS 59 7.297 -2.373 51.247 437 HE2 HIS 59 HE2 HIS 59 9.717 -3.073 51.568 438 H HIS 60 HN HIS 60 10.469 -1.485 44.119 439 HA HIS 60 HA HIS 60 7.707 -1.873 43.485 440 HB2 HIS 60 HB2 HIS 60 9.109 -0.629 41.953 441 HB3 HIS 60 HB1 HIS 60 10.201 -2.003 41.776 442 HD2 HIS 60 HD2 HIS 60 6.278 -1.530 41.141 443 HE1 HIS 60 HE1 HIS 60 7.913 -3.985 38.122 444 HE2 HIS 60 HE2 HIS 60 5.785 -2.884 38.964 445 H HIS 61 HN HIS 61 10.492 -3.942 43.887 446 HA HIS 61 HA HIS 61 9.235 -6.253 42.681 447 HB2 HIS 61 HB2 HIS 61 11.244 -7.449 43.588 448 HB3 HIS 61 HB1 HIS 61 11.640 -6.082 42.546 449 HD2 HIS 61 HD2 HIS 61 14.092 -5.689 44.024 450 HE1 HIS 61 HE1 HIS 61 12.174 -4.379 47.550 451 HE2 HIS 61 HE2 HIS 61 14.412 -4.576 46.364 452 H HIS 62 HN HIS 62 10.786 -7.390 45.337 453 HA HIS 62 HA HIS 62 8.471 -8.466 46.533 454 HB2 HIS 62 HB2 HIS 62 9.987 -9.165 48.351 455 HB3 HIS 62 HB1 HIS 62 10.676 -9.511 46.765 456 HD2 HIS 62 HD2 HIS 62 13.060 -8.143 46.196 457 HE1 HIS 62 HE1 HIS 62 13.173 -5.822 49.721 458 HE2 HIS 62 HE2 HIS 62 14.469 -6.486 47.639 459 H HIS 63 HN HIS 63 7.074 -7.654 47.961 460 HA HIS 63 HA HIS 63 7.085 -4.957 48.745 461 HB2 HIS 63 HB2 HIS 63 5.569 -7.384 49.656 462 HB3 HIS 63 HB1 HIS 63 5.380 -5.849 50.502 463 HD2 HIS 63 HD2 HIS 63 5.345 -6.733 46.599 464 HE1 HIS 63 HE1 HIS 63 2.172 -4.088 47.479 465 HE2 HIS 63 HE2 HIS 63 3.328 -5.389 45.628 466 H HIS 64 HN HIS 64 7.082 -4.169 51.023 467 HA HIS 64 HA HIS 64 8.406 -3.681 52.854 468 HB2 HIS 64 HB2 HIS 64 8.056 -6.663 53.255 469 HB3 HIS 64 HB1 HIS 64 8.473 -5.488 54.504 470 HD2 HIS 64 HD2 HIS 64 6.081 -3.330 53.048 471 HE1 HIS 64 HE1 HIS 64 3.518 -6.183 54.814 472 HE2 HIS 64 HE2 HIS 64 3.641 -3.848 53.820 Start of MODEL 37 1 H1 MET 1 HT1 MET 1 60.723 38.527 -4.018 2 H2 MET 1 HT2 MET 1 59.670 37.943 -2.820 3 H3 MET 1 HT3 MET 1 59.100 38.208 -4.399 4 HA MET 1 HA MET 1 60.247 36.392 -5.269 5 HB2 MET 1 HB2 MET 1 61.722 36.332 -2.617 6 HB3 MET 1 HB1 MET 1 61.938 35.170 -3.927 7 HG2 MET 1 HG2 MET 1 62.179 37.726 -5.106 8 HG3 MET 1 HG1 MET 1 63.124 37.784 -3.618 9 HE1 MET 1 HE1 MET 1 65.539 37.234 -3.669 10 HE2 MET 1 HE2 MET 1 65.142 38.260 -5.046 11 HE3 MET 1 HE3 MET 1 66.264 36.917 -5.251 12 H GLU 2 HN GLU 2 58.777 36.926 -2.208 13 HA GLU 2 HA GLU 2 57.612 35.504 -0.756 14 HB2 GLU 2 HB2 GLU 2 55.493 34.805 -1.905 15 HB3 GLU 2 HB1 GLU 2 55.913 36.503 -2.126 16 HG2 GLU 2 HG2 GLU 2 56.787 34.427 -4.130 17 HG3 GLU 2 HG1 GLU 2 55.177 35.137 -4.210 18 H GLU 3 HN GLU 3 59.726 34.014 -1.101 19 HA GLU 3 HA GLU 3 59.153 31.495 -2.399 20 HB2 GLU 3 HB2 GLU 3 61.464 32.605 -2.063 21 HB3 GLU 3 HB1 GLU 3 61.376 31.959 -0.423 22 HG2 GLU 3 HG2 GLU 3 60.783 29.708 -1.582 23 HG3 GLU 3 HG1 GLU 3 61.445 30.458 -3.034 24 H GLY 4 HN GLY 4 57.101 31.949 -0.680 25 HA2 GLY 4 HA2 GLY 4 56.448 29.792 0.637 26 HA3 GLY 4 HA1 GLY 4 57.652 30.410 1.764 27 H GLY 5 HN GLY 5 57.196 33.097 1.746 28 HA2 GLY 5 HA2 GLY 5 55.825 34.763 2.556 29 HA3 GLY 5 HA1 GLY 5 54.454 33.837 1.950 30 H ASP 6 HN ASP 6 55.192 35.272 4.590 31 HA ASP 6 HA ASP 6 54.107 33.155 6.321 32 HB2 ASP 6 HB2 ASP 6 56.611 33.278 6.595 33 HB3 ASP 6 HB1 ASP 6 56.402 34.931 7.171 34 H PHE 7 HN PHE 7 52.137 34.092 6.598 35 HA PHE 7 HA PHE 7 52.047 36.516 8.207 36 HB2 PHE 7 HB2 PHE 7 51.908 36.970 5.577 37 HB3 PHE 7 HB1 PHE 7 50.220 36.541 5.857 38 HD1 PHE 7 HD2 PHE 7 52.961 38.741 7.135 39 HD2 PHE 7 HD1 PHE 7 48.727 38.103 6.790 40 HE1 PHE 7 HE2 PHE 7 52.544 40.991 8.092 41 HE2 PHE 7 HE1 PHE 7 48.311 40.353 7.746 42 HZ PHE 7 HZ PHE 7 50.219 41.797 8.396 43 H ASP 8 HN ASP 8 49.902 36.899 9.108 44 HA ASP 8 HA ASP 8 48.168 36.056 10.377 45 HB2 ASP 8 HB2 ASP 8 46.324 35.325 9.072 46 HB3 ASP 8 HB1 ASP 8 47.223 36.442 8.045 47 H ASN 9 HN ASN 9 50.532 34.493 10.500 48 HA ASN 9 HA ASN 9 49.490 31.733 10.628 49 HB2 ASN 9 HB2 ASN 9 51.830 31.029 10.687 50 HB3 ASN 9 HB1 ASN 9 51.524 32.042 9.277 51 HD21 ASN 9 HD21 ASN 9 52.896 32.138 12.588 52 HD22 ASN 9 HD22 ASN 9 53.902 33.474 12.296 53 H TYR 10 HN TYR 10 48.789 33.694 12.574 54 HA TYR 10 HA TYR 10 50.313 33.724 14.900 55 HB2 TYR 10 HB2 TYR 10 47.465 34.107 14.227 56 HB3 TYR 10 HB1 TYR 10 47.783 33.648 15.900 57 HD1 TYR 10 HD1 TYR 10 49.804 35.689 13.497 58 HD2 TYR 10 HD2 TYR 10 47.613 35.601 17.190 59 HE1 TYR 10 HE1 TYR 10 50.544 38.004 13.991 60 HE2 TYR 10 HE2 TYR 10 48.352 37.916 17.685 61 HH TYR 10 HH TYR 10 50.860 39.435 16.029 62 H TYR 11 HN TYR 11 51.303 31.655 15.093 63 HA TYR 11 HA TYR 11 51.441 29.415 15.645 64 HB2 TYR 11 HB2 TYR 11 50.361 31.005 17.733 65 HB3 TYR 11 HB1 TYR 11 49.545 29.446 17.797 66 HD1 TYR 11 HD1 TYR 11 53.002 30.729 17.090 67 HD2 TYR 11 HD2 TYR 11 50.574 27.832 19.133 68 HE1 TYR 11 HE1 TYR 11 55.038 29.718 18.076 69 HE2 TYR 11 HE2 TYR 11 52.611 26.821 20.118 70 HH TYR 11 HH TYR 11 55.054 27.767 20.662 71 H GLY 12 HN GLY 12 49.517 29.949 13.598 72 HA2 GLY 12 HA2 GLY 12 47.359 28.027 14.191 73 HA3 GLY 12 HA1 GLY 12 47.355 29.191 12.870 74 H ALA 13 HN ALA 13 48.602 26.118 13.992 75 HA ALA 13 HA ALA 13 48.697 25.003 11.396 76 HB1 ALA 13 HB1 ALA 13 51.324 25.937 12.554 77 HB2 ALA 13 HB2 ALA 13 50.646 26.308 10.969 78 HB3 ALA 13 HB3 ALA 13 51.217 24.677 11.325 79 H ASP 14 HN ASP 14 47.468 23.983 13.469 80 HA ASP 14 HA ASP 14 49.133 21.673 14.222 81 HB2 ASP 14 HB2 ASP 14 48.806 23.527 16.065 82 HB3 ASP 14 HB1 ASP 14 47.212 22.792 16.225 83 H ASN 15 HN ASN 15 47.377 21.634 12.127 84 HA ASN 15 HA ASN 15 45.262 19.869 13.170 85 HB2 ASN 15 HB2 ASN 15 44.866 22.046 11.104 86 HB3 ASN 15 HB1 ASN 15 43.669 20.825 11.532 87 HD21 ASN 15 HD21 ASN 15 44.949 23.908 12.409 88 HD22 ASN 15 HD22 ASN 15 44.099 24.085 13.868 89 H GLN 16 HN GLN 16 47.274 20.922 10.477 90 HA GLN 16 HA GLN 16 46.502 18.986 8.587 91 HB2 GLN 16 HB2 GLN 16 48.423 19.606 7.374 92 HB3 GLN 16 HB1 GLN 16 48.001 21.062 8.278 93 HG2 GLN 16 HG2 GLN 16 50.210 19.084 8.829 94 HG3 GLN 16 HG1 GLN 16 50.323 20.831 8.635 95 HE21 GLN 16 HE21 GLN 16 48.744 22.005 10.389 96 HE22 GLN 16 HE22 GLN 16 48.940 21.425 11.972 97 H SER 17 HN SER 17 47.755 18.466 11.584 98 HA SER 17 HA SER 17 49.793 16.669 11.485 99 HB2 SER 17 HB2 SER 17 48.791 17.228 13.597 100 HB3 SER 17 HB1 SER 17 47.254 16.514 13.119 101 HG SER 17 HG SER 17 49.514 14.898 12.969 102 H GLU 18 HN GLU 18 50.179 14.875 10.369 103 HA GLU 18 HA GLU 18 47.988 13.506 9.016 104 HB2 GLU 18 HB2 GLU 18 50.547 14.080 8.252 105 HB3 GLU 18 HB1 GLU 18 50.707 12.402 8.773 106 HG2 GLU 18 HG2 GLU 18 48.669 11.878 7.356 107 HG3 GLU 18 HG1 GLU 18 48.800 13.508 6.699 108 H CYS 19 HN CYS 19 49.084 10.932 8.879 109 HA CYS 19 HA CYS 19 49.111 8.919 9.987 110 HB2 CYS 19 HB2 CYS 19 50.837 10.414 11.385 111 HB3 CYS 19 HB1 CYS 19 49.609 10.190 12.631 112 HG CYS 19 HG CYS 19 51.052 8.093 12.868 113 H GLU 20 HN GLU 20 46.662 10.364 9.684 114 HA GLU 20 HA GLU 20 45.160 9.193 11.931 115 HB2 GLU 20 HB2 GLU 20 44.825 11.989 10.827 116 HB3 GLU 20 HB1 GLU 20 43.642 11.197 11.868 117 HG2 GLU 20 HG2 GLU 20 45.338 10.930 13.624 118 HG3 GLU 20 HG1 GLU 20 46.547 11.683 12.585 119 H TYR 21 HN TYR 21 45.051 10.584 8.668 120 HA TYR 21 HA TYR 21 42.474 9.675 7.973 121 HB2 TYR 21 HB2 TYR 21 42.927 10.633 5.978 122 HB3 TYR 21 HB1 TYR 21 44.413 11.190 6.746 123 HD1 TYR 21 HD2 TYR 21 46.536 9.945 6.439 124 HD2 TYR 21 HD1 TYR 21 42.941 8.829 4.371 125 HE1 TYR 21 HE2 TYR 21 47.867 8.561 4.871 126 HE2 TYR 21 HE1 TYR 21 44.272 7.444 2.803 127 HH TYR 21 HH TYR 21 47.627 6.758 3.354 128 H THR 22 HN THR 22 45.148 7.887 8.773 129 HA THR 22 HA THR 22 44.479 5.661 6.963 130 HB THR 22 HB THR 22 46.817 5.878 8.870 131 HG1 THR 22 HG1 THR 22 46.849 6.302 6.080 132 HG21 THR 22 HG21 THR 22 46.158 4.077 6.526 133 HG22 THR 22 HG22 THR 22 46.347 3.602 8.215 134 HG23 THR 22 HG23 THR 22 47.745 4.150 7.292 135 H ASP 23 HN ASP 23 44.634 6.589 10.354 136 HA ASP 23 HA ASP 23 43.581 3.950 11.137 137 HB2 ASP 23 HB2 ASP 23 44.035 4.877 13.483 138 HB3 ASP 23 HB1 ASP 23 45.438 4.508 12.484 139 H TRP 24 HN TRP 24 42.002 6.045 9.777 140 HA TRP 24 HA TRP 24 40.363 7.600 11.280 141 HB2 TRP 24 HB2 TRP 24 38.515 6.452 9.624 142 HB3 TRP 24 HB1 TRP 24 39.621 7.739 9.150 143 HD1 TRP 24 HD1 TRP 24 40.461 4.008 9.693 144 HE1 TRP 24 HE1 TRP 24 41.477 3.089 7.510 145 HE3 TRP 24 HE3 TRP 24 39.956 8.109 6.691 146 HZ2 TRP 24 HZ2 TRP 24 42.008 3.977 4.843 147 HZ3 TRP 24 HZ3 TRP 24 40.726 8.045 4.336 148 HH2 TRP 24 HH2 TRP 24 41.751 5.986 3.409 149 H LYS 25 HN LYS 25 38.852 4.578 10.296 150 HA LYS 25 HA LYS 25 37.873 4.240 13.064 151 HB2 LYS 25 HB2 LYS 25 36.100 2.792 11.819 152 HB3 LYS 25 HB1 LYS 25 35.967 4.547 11.757 153 HG2 LYS 25 HG2 LYS 25 35.658 3.573 9.518 154 HG3 LYS 25 HG1 LYS 25 37.119 4.557 9.566 155 HD2 LYS 25 HD2 LYS 25 38.534 2.676 9.577 156 HD3 LYS 25 HD1 LYS 25 37.249 1.600 10.125 157 HE2 LYS 25 HE2 LYS 25 37.260 2.976 7.426 158 HE3 LYS 25 HE1 LYS 25 37.825 1.326 7.692 159 HZ1 LYS 25 HZ1 LYS 25 35.127 2.371 7.638 160 HZ2 LYS 25 HZ2 LYS 25 35.440 1.270 8.894 161 HZ3 LYS 25 HZ3 LYS 25 35.697 0.815 7.278 162 H SER 26 HN SER 26 40.430 3.255 11.875 163 HA SER 26 HA SER 26 40.000 0.358 12.298 164 HB2 SER 26 HB2 SER 26 40.728 0.456 10.086 165 HB3 SER 26 HB1 SER 26 41.768 1.846 10.384 166 HG SER 26 HG SER 26 43.293 0.439 10.664 167 H SER 27 HN SER 27 43.022 2.153 12.053 168 HA SER 27 HA SER 27 44.802 2.327 13.501 169 HB2 SER 27 HB2 SER 27 42.642 3.461 14.734 170 HB3 SER 27 HB1 SER 27 43.135 2.264 15.928 171 HG SER 27 HG SER 27 44.469 3.866 16.400 172 H GLY 28 HN GLY 28 43.511 -0.356 12.917 173 HA2 GLY 28 HA2 GLY 28 44.411 -2.484 13.393 174 HA3 GLY 28 HA1 GLY 28 45.037 -1.856 14.915 175 H ALA 29 HN ALA 29 41.897 -0.808 14.490 176 HA ALA 29 HA ALA 29 39.981 -1.258 15.688 177 HB1 ALA 29 HB1 ALA 29 40.346 -4.169 15.171 178 HB2 ALA 29 HB2 ALA 29 40.236 -3.095 13.776 179 HB3 ALA 29 HB3 ALA 29 38.920 -3.155 14.949 180 H LEU 30 HN LEU 30 42.326 -1.149 17.280 181 HA LEU 30 HA LEU 30 41.596 -3.048 19.428 182 HB2 LEU 30 HB2 LEU 30 44.339 -2.178 18.512 183 HB3 LEU 30 HB1 LEU 30 44.049 -2.890 20.101 184 HG LEU 30 HG LEU 30 42.893 -4.324 17.761 185 HD11 LEU 30 HD11 LEU 30 45.087 -3.793 16.874 186 HD12 LEU 30 HD12 LEU 30 45.099 -5.477 17.399 187 HD13 LEU 30 HD13 LEU 30 45.856 -4.237 18.398 188 HD21 LEU 30 HD21 LEU 30 43.363 -6.244 19.124 189 HD22 LEU 30 HD22 LEU 30 42.740 -5.006 20.213 190 HD23 LEU 30 HD23 LEU 30 44.472 -5.328 20.144 191 H ILE 31 HN ILE 31 42.546 0.159 18.456 192 HA ILE 31 HA ILE 31 42.609 1.122 21.206 193 HB ILE 31 HB ILE 31 43.593 2.057 18.629 194 HG12 ILE 31 HG12 ILE 31 44.202 2.970 21.450 195 HG13 ILE 31 HG11 ILE 31 44.874 1.505 20.735 196 HG21 ILE 31 HG21 ILE 31 41.818 3.730 18.750 197 HG22 ILE 31 HG22 ILE 31 43.347 4.489 19.179 198 HG23 ILE 31 HG23 ILE 31 42.201 4.060 20.444 199 HD11 ILE 31 HD11 ILE 31 45.249 4.347 19.760 200 HD12 ILE 31 HD12 ILE 31 45.764 2.926 18.853 201 HD13 ILE 31 HD13 ILE 31 46.485 3.278 20.423 202 HA PRO 32 HA PRO 32 38.741 3.427 19.195 203 HB2 PRO 32 HB2 PRO 32 37.714 1.045 17.721 204 HB3 PRO 32 HB1 PRO 32 37.656 2.762 17.276 205 HG2 PRO 32 HG2 PRO 32 39.343 1.089 16.088 206 HG3 PRO 32 HG1 PRO 32 39.803 2.762 16.453 207 HD2 PRO 32 HD2 PRO 32 40.607 0.237 17.843 208 HD3 PRO 32 HD1 PRO 32 41.548 1.721 17.566 209 H ALA 33 HN ALA 33 38.981 0.042 20.097 210 HA ALA 33 HA ALA 33 36.414 -0.012 21.439 211 HB1 ALA 33 HB1 ALA 33 36.942 -2.143 20.724 212 HB2 ALA 33 HB2 ALA 33 37.564 -2.214 22.371 213 HB3 ALA 33 HB3 ALA 33 38.666 -1.932 21.024 214 H ILE 34 HN ILE 34 39.726 0.692 22.218 215 HA ILE 34 HA ILE 34 39.145 0.702 25.099 216 HB ILE 34 HB ILE 34 41.711 0.947 23.523 217 HG12 ILE 34 HG12 ILE 34 40.913 -1.060 25.643 218 HG13 ILE 34 HG11 ILE 34 40.568 -1.313 23.932 219 HG21 ILE 34 HG21 ILE 34 42.075 2.404 25.345 220 HG22 ILE 34 HG22 ILE 34 42.706 0.859 25.917 221 HG23 ILE 34 HG23 ILE 34 41.115 1.412 26.443 222 HD11 ILE 34 HD11 ILE 34 43.348 -0.661 24.918 223 HD12 ILE 34 HD12 ILE 34 42.876 -1.338 23.360 224 HD13 ILE 34 HD13 ILE 34 42.758 -2.320 24.821 225 H TYR 35 HN TYR 35 39.136 2.757 22.439 226 HA TYR 35 HA TYR 35 40.001 5.169 23.768 227 HB2 TYR 35 HB2 TYR 35 40.082 4.680 21.248 228 HB3 TYR 35 HB1 TYR 35 38.354 5.029 21.246 229 HD1 TYR 35 HD2 TYR 35 37.550 7.275 22.113 230 HD2 TYR 35 HD1 TYR 35 41.690 6.428 21.341 231 HE1 TYR 35 HE2 TYR 35 38.041 9.706 22.076 232 HE2 TYR 35 HE1 TYR 35 42.180 8.858 21.302 233 HH TYR 35 HH TYR 35 39.625 11.249 21.367 234 H MET 36 HN MET 36 36.896 3.713 22.851 235 HA MET 36 HA MET 36 35.330 5.884 23.889 236 HB2 MET 36 HB2 MET 36 34.446 3.053 23.293 237 HB3 MET 36 HB1 MET 36 33.421 4.483 23.421 238 HG2 MET 36 HG2 MET 36 35.364 5.201 21.553 239 HG3 MET 36 HG1 MET 36 34.972 3.530 21.150 240 HE1 MET 36 HE1 MET 36 34.276 6.754 19.849 241 HE2 MET 36 HE2 MET 36 33.957 7.096 21.547 242 HE3 MET 36 HE3 MET 36 32.664 7.267 20.363 243 H LEU 37 HN LEU 37 36.312 2.691 25.067 244 HA LEU 37 HA LEU 37 34.796 2.380 27.319 245 HB2 LEU 37 HB2 LEU 37 37.321 1.410 26.384 246 HB3 LEU 37 HB1 LEU 37 37.462 1.789 28.101 247 HG LEU 37 HG LEU 37 35.242 0.115 26.893 248 HD11 LEU 37 HD11 LEU 37 36.902 -1.359 28.675 249 HD12 LEU 37 HD12 LEU 37 37.963 -0.553 27.519 250 HD13 LEU 37 HD13 LEU 37 36.678 -1.616 26.944 251 HD21 LEU 37 HD21 LEU 37 35.716 -0.268 29.702 252 HD22 LEU 37 HD22 LEU 37 34.256 0.322 28.908 253 HD23 LEU 37 HD23 LEU 37 35.519 1.457 29.389 254 H VAL 38 HN VAL 38 37.206 4.798 26.715 255 HA VAL 38 HA VAL 38 37.163 5.657 29.532 256 HB VAL 38 HB VAL 38 38.877 6.717 27.276 257 HG11 VAL 38 HG11 VAL 38 38.676 8.220 29.193 258 HG12 VAL 38 HG12 VAL 38 40.282 7.488 29.189 259 HG13 VAL 38 HG13 VAL 38 39.046 6.897 30.300 260 HG21 VAL 38 HG21 VAL 38 39.758 4.600 27.384 261 HG22 VAL 38 HG22 VAL 38 39.101 4.297 28.992 262 HG23 VAL 38 HG23 VAL 38 40.567 5.259 28.806 263 H PHE 39 HN PHE 39 35.916 6.412 26.422 264 HA PHE 39 HA PHE 39 35.391 9.203 26.978 265 HB2 PHE 39 HB2 PHE 39 35.749 8.058 24.666 266 HB3 PHE 39 HB1 PHE 39 34.045 7.623 24.806 267 HD1 PHE 39 HD2 PHE 39 36.369 10.549 25.035 268 HD2 PHE 39 HD1 PHE 39 32.375 9.179 24.246 269 HE1 PHE 39 HE2 PHE 39 35.726 12.835 24.325 270 HE2 PHE 39 HE1 PHE 39 31.731 11.466 23.535 271 HZ PHE 39 HZ PHE 39 33.406 13.295 23.574 272 H LEU 40 HN LEU 40 33.281 6.381 26.364 273 HA LEU 40 HA LEU 40 30.888 7.582 27.175 274 HB2 LEU 40 HB2 LEU 40 30.043 5.274 27.473 275 HB3 LEU 40 HB1 LEU 40 30.925 5.466 25.959 276 HG LEU 40 HG LEU 40 32.939 4.749 27.687 277 HD11 LEU 40 HD11 LEU 40 32.207 3.030 29.142 278 HD12 LEU 40 HD12 LEU 40 30.630 2.925 28.361 279 HD13 LEU 40 HD13 LEU 40 31.020 4.313 29.375 280 HD21 LEU 40 HD21 LEU 40 32.542 2.412 26.665 281 HD22 LEU 40 HD22 LEU 40 32.774 3.752 25.542 282 HD23 LEU 40 HD23 LEU 40 31.151 3.138 25.860 283 H LEU 41 HN LEU 41 33.591 6.921 29.021 284 HA LEU 41 HA LEU 41 32.205 6.296 31.496 285 HB2 LEU 41 HB2 LEU 41 34.927 6.224 30.529 286 HB3 LEU 41 HB1 LEU 41 34.844 7.081 32.069 287 HG LEU 41 HG LEU 41 33.561 4.381 31.573 288 HD11 LEU 41 HD11 LEU 41 35.659 3.555 31.704 289 HD12 LEU 41 HD12 LEU 41 35.653 4.079 33.388 290 HD13 LEU 41 HD13 LEU 41 36.326 5.128 32.141 291 HD21 LEU 41 HD21 LEU 41 33.240 6.324 33.602 292 HD22 LEU 41 HD22 LEU 41 34.228 5.045 34.306 293 HD23 LEU 41 HD23 LEU 41 32.651 4.662 33.617 294 H GLY 42 HN GLY 42 33.175 9.092 29.753 295 HA2 GLY 42 HA2 GLY 42 33.099 10.819 32.119 296 HA3 GLY 42 HA1 GLY 42 33.537 11.310 30.486 297 H THR 43 HN THR 43 31.146 9.865 29.402 298 HA THR 43 HA THR 43 29.163 11.958 30.033 299 HB THR 43 HB THR 43 28.244 11.587 27.848 300 HG1 THR 43 HG1 THR 43 30.005 9.766 26.931 301 HG21 THR 43 HG21 THR 43 29.949 12.536 26.647 302 HG22 THR 43 HG22 THR 43 31.124 11.326 27.160 303 HG23 THR 43 HG23 THR 43 30.686 12.647 28.245 304 H THR 44 HN THR 44 27.261 10.125 28.476 305 HA THR 44 HA THR 44 25.508 8.756 29.043 306 HB THR 44 HB THR 44 26.135 6.600 30.021 307 HG1 THR 44 HG1 THR 44 27.983 6.341 31.062 308 HG21 THR 44 HG21 THR 44 26.633 6.827 27.689 309 HG22 THR 44 HG22 THR 44 28.043 6.069 28.428 310 HG23 THR 44 HG23 THR 44 28.075 7.785 28.026 311 H GLY 45 HN GLY 45 27.308 8.108 32.001 312 HA2 GLY 45 HA2 GLY 45 25.078 9.290 33.546 313 HA3 GLY 45 HA1 GLY 45 26.079 7.951 34.096 314 H ASN 46 HN ASN 46 28.515 8.526 34.143 315 HA ASN 46 HA ASN 46 30.067 9.657 35.438 316 HB2 ASN 46 HB2 ASN 46 30.593 11.877 34.529 317 HB3 ASN 46 HB1 ASN 46 30.297 10.715 33.237 318 HD21 ASN 46 HD21 ASN 46 28.117 10.817 32.170 319 HD22 ASN 46 HD22 ASN 46 27.261 12.282 32.176 320 H GLY 47 HN GLY 47 29.272 9.645 37.520 321 HA2 GLY 47 HA2 GLY 47 28.949 11.017 39.442 322 HA3 GLY 47 HA1 GLY 47 28.111 12.190 38.430 323 H LEU 48 HN LEU 48 27.092 9.174 37.532 324 HA LEU 48 HA LEU 48 24.895 9.096 39.501 325 HB2 LEU 48 HB2 LEU 48 24.703 9.786 36.707 326 HB3 LEU 48 HB1 LEU 48 23.814 8.295 37.026 327 HG LEU 48 HG LEU 48 23.529 10.821 38.678 328 HD11 LEU 48 HD11 LEU 48 22.069 9.803 36.255 329 HD12 LEU 48 HD12 LEU 48 22.570 11.449 36.641 330 HD13 LEU 48 HD13 LEU 48 21.194 10.728 37.476 331 HD21 LEU 48 HD21 LEU 48 22.791 8.122 39.131 332 HD22 LEU 48 HD22 LEU 48 21.306 8.979 38.715 333 HD23 LEU 48 HD23 LEU 48 22.298 9.536 40.063 334 H VAL 49 HN VAL 49 27.092 7.482 37.374 335 HA VAL 49 HA VAL 49 25.890 4.859 37.872 336 HB VAL 49 HB VAL 49 28.314 5.658 36.240 337 HG11 VAL 49 HG11 VAL 49 28.642 3.398 36.866 338 HG12 VAL 49 HG12 VAL 49 27.870 3.300 35.284 339 HG13 VAL 49 HG13 VAL 49 26.922 3.027 36.746 340 HG21 VAL 49 HG21 VAL 49 25.738 6.210 35.635 341 HG22 VAL 49 HG22 VAL 49 25.828 4.558 35.027 342 HG23 VAL 49 HG23 VAL 49 26.932 5.787 34.408 343 H LEU 50 HN LEU 50 28.743 6.761 38.673 344 HA LEU 50 HA LEU 50 29.839 4.570 40.280 345 HB2 LEU 50 HB2 LEU 50 31.607 6.506 40.698 346 HB3 LEU 50 HB1 LEU 50 31.623 5.563 39.208 347 HG LEU 50 HG LEU 50 29.892 8.002 39.308 348 HD11 LEU 50 HD11 LEU 50 32.901 8.042 38.923 349 HD12 LEU 50 HD12 LEU 50 32.020 8.780 40.261 350 HD13 LEU 50 HD13 LEU 50 31.818 9.402 38.624 351 HD21 LEU 50 HD21 LEU 50 30.092 7.910 37.002 352 HD22 LEU 50 HD22 LEU 50 30.317 6.203 37.380 353 HD23 LEU 50 HD23 LEU 50 31.717 7.228 37.064 354 H TRP 51 HN TRP 51 27.952 7.414 40.604 355 HA TRP 51 HA TRP 51 28.612 8.016 43.330 356 HB2 TRP 51 HB2 TRP 51 27.440 9.860 42.846 357 HB3 TRP 51 HB1 TRP 51 27.031 9.174 41.274 358 HD1 TRP 51 HD1 TRP 51 24.826 7.491 41.275 359 HE1 TRP 51 HE1 TRP 51 22.627 7.726 42.602 360 HE3 TRP 51 HE3 TRP 51 26.346 10.707 44.939 361 HZ2 TRP 51 HZ2 TRP 51 21.644 9.096 44.912 362 HZ3 TRP 51 HZ3 TRP 51 24.761 11.460 46.688 363 HH2 TRP 51 HH2 TRP 51 22.414 10.659 46.680 364 H THR 52 HN THR 52 26.421 5.837 41.725 365 HA THR 52 HA THR 52 24.733 5.364 44.004 366 HB THR 52 HB THR 52 24.255 4.950 41.467 367 HG1 THR 52 HG1 THR 52 23.511 3.529 43.731 368 HG21 THR 52 HG21 THR 52 24.879 2.877 40.575 369 HG22 THR 52 HG22 THR 52 25.225 2.190 42.163 370 HG23 THR 52 HG23 THR 52 26.331 3.365 41.449 371 H VAL 53 HN VAL 53 27.770 4.144 42.856 372 HA VAL 53 HA VAL 53 27.767 1.661 44.252 373 HB VAL 53 HB VAL 53 29.985 3.403 43.169 374 HG11 VAL 53 HG11 VAL 53 31.224 2.263 44.739 375 HG12 VAL 53 HG12 VAL 53 31.173 1.015 43.495 376 HG13 VAL 53 HG13 VAL 53 30.056 0.947 44.858 377 HG21 VAL 53 HG21 VAL 53 28.781 0.753 42.303 378 HG22 VAL 53 HG22 VAL 53 30.129 1.566 41.508 379 HG23 VAL 53 HG23 VAL 53 28.530 2.309 41.511 380 H PHE 54 HN PHE 54 29.768 4.532 44.947 381 HA PHE 54 HA PHE 54 30.444 3.788 47.558 382 HB2 PHE 54 HB2 PHE 54 31.657 5.678 47.496 383 HB3 PHE 54 HB1 PHE 54 31.040 5.905 45.861 384 HD1 PHE 54 HD2 PHE 54 28.903 7.215 45.517 385 HD2 PHE 54 HD1 PHE 54 30.963 7.091 49.284 386 HE1 PHE 54 HE2 PHE 54 27.666 9.233 46.259 387 HE2 PHE 54 HE1 PHE 54 29.726 9.108 50.026 388 HZ PHE 54 HZ PHE 54 28.078 10.179 48.513 389 H ARG 55 HN ARG 55 27.408 4.455 46.438 390 HA ARG 55 HA ARG 55 26.503 5.730 48.922 391 HB2 ARG 55 HB2 ARG 55 25.748 6.719 46.794 392 HB3 ARG 55 HB1 ARG 55 25.004 5.185 46.349 393 HG2 ARG 55 HG2 ARG 55 24.211 6.086 49.014 394 HG3 ARG 55 HG1 ARG 55 23.768 7.233 47.751 395 HD2 ARG 55 HD2 ARG 55 22.488 5.610 46.580 396 HD3 ARG 55 HD1 ARG 55 23.201 4.279 47.483 397 HE ARG 55 HE ARG 55 21.763 4.744 49.260 398 HH11 ARG 55 HH21 ARG 55 21.601 7.162 46.792 399 HH12 ARG 55 HH22 ARG 55 20.169 7.903 47.420 400 HH21 ARG 55 HH11 ARG 55 19.883 5.711 50.090 401 HH22 ARG 55 HH12 ARG 55 19.196 7.084 49.287 402 H LYS 56 HN LYS 56 25.320 3.124 46.772 403 HA LYS 56 HA LYS 56 23.501 1.921 48.385 404 HB2 LYS 56 HB2 LYS 56 23.742 -0.026 47.113 405 HB3 LYS 56 HB1 LYS 56 24.362 1.227 46.039 406 HG2 LYS 56 HG2 LYS 56 26.672 0.693 47.046 407 HG3 LYS 56 HG1 LYS 56 25.922 -0.775 47.672 408 HD2 LYS 56 HD2 LYS 56 26.061 0.071 44.764 409 HD3 LYS 56 HD1 LYS 56 26.952 -1.255 45.511 410 HE2 LYS 56 HE2 LYS 56 23.982 -1.046 45.012 411 HE3 LYS 56 HE1 LYS 56 25.095 -2.305 44.478 412 HZ1 LYS 56 HZ1 LYS 56 23.793 -1.949 47.046 413 HZ2 LYS 56 HZ2 LYS 56 25.419 -2.437 47.114 414 HZ3 LYS 56 HZ3 LYS 56 24.282 -3.372 46.265 415 H LYS 57 HN LYS 57 27.015 1.641 48.663 416 HA LYS 57 HA LYS 57 26.734 -0.166 50.947 417 HB2 LYS 57 HB2 LYS 57 29.239 -0.150 50.920 418 HB3 LYS 57 HB1 LYS 57 28.512 -0.732 49.425 419 HG2 LYS 57 HG2 LYS 57 28.748 2.073 49.137 420 HG3 LYS 57 HG1 LYS 57 30.274 1.520 49.824 421 HD2 LYS 57 HD2 LYS 57 28.949 0.297 47.387 422 HD3 LYS 57 HD1 LYS 57 30.270 1.462 47.328 423 HE2 LYS 57 HE2 LYS 57 30.982 -0.632 49.153 424 HE3 LYS 57 HE1 LYS 57 30.449 -1.360 47.637 425 HZ1 LYS 57 HZ1 LYS 57 32.197 0.953 47.415 426 HZ2 LYS 57 HZ2 LYS 57 32.162 -0.478 46.499 427 HZ3 LYS 57 HZ3 LYS 57 32.909 -0.460 48.026 428 H GLY 58 HN GLY 58 25.632 2.399 51.274 429 HA2 GLY 58 HA2 GLY 58 27.280 4.297 52.506 430 HA3 GLY 58 HA1 GLY 58 25.558 4.103 52.816 431 H HIS 59 HN HIS 59 25.507 1.548 53.901 432 HA HIS 59 HA HIS 59 26.833 2.031 56.485 433 HB2 HIS 59 HB2 HIS 59 24.606 0.084 55.851 434 HB3 HIS 59 HB1 HIS 59 25.169 0.575 57.448 435 HD2 HIS 59 HD2 HIS 59 22.270 1.450 55.340 436 HE1 HIS 59 HE1 HIS 59 23.299 5.127 57.142 437 HE2 HIS 59 HE2 HIS 59 21.494 3.890 55.853 438 H HIS 60 HN HIS 60 26.020 -0.725 54.362 439 HA HIS 60 HA HIS 60 27.006 -2.815 54.204 440 HB2 HIS 60 HB2 HIS 60 28.406 -1.513 52.712 441 HB3 HIS 60 HB1 HIS 60 29.390 -0.956 54.066 442 HD2 HIS 60 HD2 HIS 60 28.449 -4.602 52.711 443 HE1 HIS 60 HE1 HIS 60 32.492 -4.545 53.926 444 HE2 HIS 60 HE2 HIS 60 30.650 -5.987 52.937 445 H HIS 61 HN HIS 61 29.888 -1.554 55.706 446 HA HIS 61 HA HIS 61 30.414 -3.597 57.418 447 HB2 HIS 61 HB2 HIS 61 30.816 -0.764 58.349 448 HB3 HIS 61 HB1 HIS 61 31.863 -2.164 58.582 449 HD2 HIS 61 HD2 HIS 61 31.755 0.834 56.313 450 HE1 HIS 61 HE1 HIS 61 33.770 -2.127 54.079 451 HE2 HIS 61 HE2 HIS 61 33.219 0.348 54.207 452 H HIS 62 HN HIS 62 29.763 -4.311 59.394 453 HA HIS 62 HA HIS 62 27.194 -4.000 60.296 454 HB2 HIS 62 HB2 HIS 62 29.720 -4.675 61.799 455 HB3 HIS 62 HB1 HIS 62 28.135 -4.699 62.573 456 HD2 HIS 62 HD2 HIS 62 28.199 -5.940 58.889 457 HE1 HIS 62 HE1 HIS 62 27.947 -9.354 61.360 458 HE2 HIS 62 HE2 HIS 62 27.820 -8.523 58.964 459 H HIS 63 HN HIS 63 26.487 -3.042 62.435 460 HA HIS 63 HA HIS 63 26.891 -0.217 62.361 461 HB2 HIS 63 HB2 HIS 63 25.571 -1.794 64.574 462 HB3 HIS 63 HB1 HIS 63 25.285 -0.111 64.127 463 HD2 HIS 63 HD2 HIS 63 24.522 -3.710 62.650 464 HE1 HIS 63 HE1 HIS 63 22.051 -0.889 60.709 465 HE2 HIS 63 HE2 HIS 63 22.565 -3.365 60.956 466 H HIS 64 HN HIS 64 29.365 -1.480 62.751 467 HA HIS 64 HA HIS 64 30.340 -1.826 65.287 468 HB2 HIS 64 HB2 HIS 64 31.463 -0.937 62.722 469 HB3 HIS 64 HB1 HIS 64 32.364 -0.377 64.132 470 HD2 HIS 64 HD2 HIS 64 34.432 -2.304 63.817 471 HE1 HIS 64 HE1 HIS 64 31.972 -5.686 64.395 472 HE2 HIS 64 HE2 HIS 64 34.374 -4.889 64.182 Start of MODEL 38 1 H1 MET 1 HT1 MET 1 10.030 -50.958 16.239 2 H2 MET 1 HT2 MET 1 10.453 -50.640 17.854 3 H3 MET 1 HT3 MET 1 11.373 -49.982 16.586 4 HA MET 1 HA MET 1 8.648 -49.248 16.315 5 HB2 MET 1 HB2 MET 1 10.052 -48.541 18.909 6 HB3 MET 1 HB1 MET 1 8.577 -47.772 18.325 7 HG2 MET 1 HG2 MET 1 8.774 -50.765 18.675 8 HG3 MET 1 HG1 MET 1 8.288 -49.705 19.997 9 HE1 MET 1 HE1 MET 1 6.316 -51.309 20.046 10 HE2 MET 1 HE2 MET 1 4.782 -50.686 19.442 11 HE3 MET 1 HE3 MET 1 5.783 -49.683 20.490 12 H GLU 2 HN GLU 2 8.565 -46.932 15.864 13 HA GLU 2 HA GLU 2 11.188 -45.670 15.414 14 HB2 GLU 2 HB2 GLU 2 10.207 -44.865 13.172 15 HB3 GLU 2 HB1 GLU 2 10.770 -46.534 13.260 16 HG2 GLU 2 HG2 GLU 2 7.927 -45.998 13.993 17 HG3 GLU 2 HG1 GLU 2 8.358 -45.924 12.285 18 H GLU 3 HN GLU 3 10.443 -44.497 17.348 19 HA GLU 3 HA GLU 3 8.315 -42.531 16.802 20 HB2 GLU 3 HB2 GLU 3 9.679 -43.188 19.422 21 HB3 GLU 3 HB1 GLU 3 8.271 -42.150 19.200 22 HG2 GLU 3 HG2 GLU 3 7.253 -44.281 18.033 23 HG3 GLU 3 HG1 GLU 3 8.476 -45.134 18.974 24 H GLY 4 HN GLY 4 9.157 -40.622 18.688 25 HA2 GLY 4 HA2 GLY 4 11.498 -39.477 17.288 26 HA3 GLY 4 HA1 GLY 4 10.210 -38.532 18.029 27 H GLY 5 HN GLY 5 11.480 -41.353 19.613 28 HA2 GLY 5 HA2 GLY 5 12.238 -39.799 21.922 29 HA3 GLY 5 HA1 GLY 5 12.353 -41.547 21.753 30 H ASP 6 HN ASP 6 13.783 -38.841 19.921 31 HA ASP 6 HA ASP 6 16.453 -39.538 20.832 32 HB2 ASP 6 HB2 ASP 6 16.176 -41.145 19.030 33 HB3 ASP 6 HB1 ASP 6 15.636 -39.870 17.937 34 H PHE 7 HN PHE 7 16.501 -37.408 21.605 35 HA PHE 7 HA PHE 7 17.167 -35.428 19.573 36 HB2 PHE 7 HB2 PHE 7 14.582 -35.454 20.469 37 HB3 PHE 7 HB1 PHE 7 15.339 -34.332 21.601 38 HD1 PHE 7 HD2 PHE 7 14.509 -34.971 18.068 39 HD2 PHE 7 HD1 PHE 7 16.325 -32.233 20.836 40 HE1 PHE 7 HE2 PHE 7 14.505 -33.206 16.326 41 HE2 PHE 7 HE1 PHE 7 16.320 -30.468 19.094 42 HZ PHE 7 HZ PHE 7 15.411 -30.955 16.839 43 H ASP 8 HN ASP 8 17.928 -33.358 20.656 44 HA ASP 8 HA ASP 8 19.621 -32.460 21.944 45 HB2 ASP 8 HB2 ASP 8 19.011 -32.174 24.220 46 HB3 ASP 8 HB1 ASP 8 17.493 -32.272 23.330 47 H ASN 9 HN ASN 9 20.202 -35.054 20.943 48 HA ASN 9 HA ASN 9 22.118 -35.927 23.000 49 HB2 ASN 9 HB2 ASN 9 19.896 -37.379 22.662 50 HB3 ASN 9 HB1 ASN 9 20.855 -38.049 21.343 51 HD21 ASN 9 HD21 ASN 9 21.061 -37.348 24.869 52 HD22 ASN 9 HD22 ASN 9 22.119 -38.631 25.210 53 H TYR 10 HN TYR 10 22.658 -34.269 20.818 54 HA TYR 10 HA TYR 10 24.720 -35.770 19.520 55 HB2 TYR 10 HB2 TYR 10 23.295 -36.497 17.874 56 HB3 TYR 10 HB1 TYR 10 22.189 -35.140 18.089 57 HD1 TYR 10 HD1 TYR 10 25.453 -36.169 16.651 58 HD2 TYR 10 HD2 TYR 10 22.457 -33.098 16.860 59 HE1 TYR 10 HE1 TYR 10 26.534 -34.985 14.758 60 HE2 TYR 10 HE2 TYR 10 23.538 -31.914 14.967 61 HH TYR 10 HH TYR 10 25.794 -31.791 13.927 62 H TYR 11 HN TYR 11 26.339 -34.367 19.750 63 HA TYR 11 HA TYR 11 26.239 -31.672 20.233 64 HB2 TYR 11 HB2 TYR 11 28.554 -31.594 19.183 65 HB3 TYR 11 HB1 TYR 11 28.330 -32.793 20.457 66 HD1 TYR 11 HD2 TYR 11 28.441 -32.312 16.771 67 HD2 TYR 11 HD1 TYR 11 28.507 -35.131 20.011 68 HE1 TYR 11 HE2 TYR 11 29.075 -34.114 15.189 69 HE2 TYR 11 HE1 TYR 11 29.142 -36.933 18.430 70 HH TYR 11 HH TYR 11 29.268 -36.356 14.943 71 H GLY 12 HN GLY 12 26.653 -29.800 18.907 72 HA2 GLY 12 HA2 GLY 12 26.406 -29.948 16.043 73 HA3 GLY 12 HA1 GLY 12 24.938 -29.367 16.823 74 H ALA 13 HN ALA 13 24.791 -27.236 17.084 75 HA ALA 13 HA ALA 13 25.405 -25.008 16.925 76 HB1 ALA 13 HB1 ALA 13 27.458 -25.997 18.920 77 HB2 ALA 13 HB2 ALA 13 25.796 -25.552 19.304 78 HB3 ALA 13 HB3 ALA 13 26.924 -24.329 18.720 79 H ASP 14 HN ASP 14 26.215 -25.656 14.667 80 HA ASP 14 HA ASP 14 29.044 -24.839 14.461 81 HB2 ASP 14 HB2 ASP 14 27.804 -26.886 12.627 82 HB3 ASP 14 HB1 ASP 14 29.507 -26.472 12.806 83 H ASN 15 HN ASN 15 26.794 -23.158 14.275 84 HA ASN 15 HA ASN 15 26.589 -22.620 11.377 85 HB2 ASN 15 HB2 ASN 15 24.527 -21.588 11.764 86 HB3 ASN 15 HB1 ASN 15 24.502 -22.950 12.882 87 HD21 ASN 15 HD21 ASN 15 23.917 -19.652 12.728 88 HD22 ASN 15 HD22 ASN 15 24.120 -19.273 14.371 89 H GLN 16 HN GLN 16 28.082 -21.589 14.226 90 HA GLN 16 HA GLN 16 28.152 -18.776 13.779 91 HB2 GLN 16 HB2 GLN 16 29.921 -18.753 15.450 92 HB3 GLN 16 HB1 GLN 16 28.635 -19.841 15.972 93 HG2 GLN 16 HG2 GLN 16 30.280 -21.491 14.472 94 HG3 GLN 16 HG1 GLN 16 31.423 -20.441 15.308 95 HE21 GLN 16 HE21 GLN 16 28.265 -21.903 16.293 96 HE22 GLN 16 HE22 GLN 16 28.870 -22.583 17.724 97 H SER 17 HN SER 17 28.564 -19.262 11.344 98 HA SER 17 HA SER 17 31.401 -19.664 10.744 99 HB2 SER 17 HB2 SER 17 29.446 -20.700 9.415 100 HB3 SER 17 HB1 SER 17 29.236 -19.090 8.732 101 HG SER 17 HG SER 17 31.105 -19.269 7.709 102 H GLU 18 HN GLU 18 30.889 -17.343 12.205 103 HA GLU 18 HA GLU 18 31.684 -15.307 10.239 104 HB2 GLU 18 HB2 GLU 18 29.396 -14.757 10.502 105 HB3 GLU 18 HB1 GLU 18 29.438 -15.071 12.238 106 HG2 GLU 18 HG2 GLU 18 30.650 -13.105 12.691 107 HG3 GLU 18 HG1 GLU 18 31.187 -12.942 11.020 108 H CYS 19 HN CYS 19 33.644 -14.675 10.856 109 HA CYS 19 HA CYS 19 34.090 -13.780 13.583 110 HB2 CYS 19 HB2 CYS 19 36.179 -15.186 13.782 111 HB3 CYS 19 HB1 CYS 19 34.666 -16.086 13.892 112 HG CYS 19 HG CYS 19 36.220 -15.949 11.182 113 H GLU 20 HN GLU 20 36.341 -12.851 13.800 114 HA GLU 20 HA GLU 20 37.840 -11.253 13.100 115 HB2 GLU 20 HB2 GLU 20 37.854 -13.045 10.660 116 HB3 GLU 20 HB1 GLU 20 39.042 -11.785 10.992 117 HG2 GLU 20 HG2 GLU 20 40.140 -13.072 12.489 118 HG3 GLU 20 HG1 GLU 20 38.641 -13.569 13.273 119 H TYR 21 HN TYR 21 34.842 -11.289 12.097 120 HA TYR 21 HA TYR 21 35.115 -9.372 9.890 121 HB2 TYR 21 HB2 TYR 21 33.009 -9.966 9.246 122 HB3 TYR 21 HB1 TYR 21 33.378 -11.418 10.177 123 HD1 TYR 21 HD1 TYR 21 32.608 -11.607 12.556 124 HD2 TYR 21 HD2 TYR 21 31.371 -8.388 9.995 125 HE1 TYR 21 HE1 TYR 21 30.747 -11.087 14.110 126 HE2 TYR 21 HE2 TYR 21 29.509 -7.867 11.549 127 HH TYR 21 HH TYR 21 28.147 -9.333 13.338 128 H THR 22 HN THR 22 34.685 -9.465 13.259 129 HA THR 22 HA THR 22 33.393 -6.823 13.328 130 HB THR 22 HB THR 22 33.978 -8.816 15.530 131 HG1 THR 22 HG1 THR 22 32.112 -9.555 14.979 132 HG21 THR 22 HG21 THR 22 33.981 -6.837 16.717 133 HG22 THR 22 HG22 THR 22 32.243 -7.129 16.649 134 HG23 THR 22 HG23 THR 22 32.992 -5.998 15.523 135 H ASP 23 HN ASP 23 36.430 -8.020 13.082 136 HA ASP 23 HA ASP 23 37.573 -5.653 14.409 137 HB2 ASP 23 HB2 ASP 23 37.863 -8.303 15.353 138 HB3 ASP 23 HB1 ASP 23 39.402 -7.858 14.617 139 H TRP 24 HN TRP 24 36.974 -6.657 11.589 140 HA TRP 24 HA TRP 24 39.115 -7.394 10.094 141 HB2 TRP 24 HB2 TRP 24 38.135 -5.404 8.511 142 HB3 TRP 24 HB1 TRP 24 37.400 -6.996 8.670 143 HD1 TRP 24 HD1 TRP 24 37.289 -4.126 11.250 144 HE1 TRP 24 HE1 TRP 24 34.820 -3.542 11.698 145 HE3 TRP 24 HE3 TRP 24 35.028 -7.202 7.859 146 HZ2 TRP 24 HZ2 TRP 24 32.226 -4.283 10.744 147 HZ3 TRP 24 HZ3 TRP 24 32.559 -7.244 7.650 148 HH2 TRP 24 HH2 TRP 24 31.157 -5.789 9.087 149 H LYS 25 HN LYS 25 38.458 -3.954 9.850 150 HA LYS 25 HA LYS 25 41.308 -3.398 9.843 151 HB2 LYS 25 HB2 LYS 25 40.402 -1.003 9.476 152 HB3 LYS 25 HB1 LYS 25 40.183 -2.190 8.190 153 HG2 LYS 25 HG2 LYS 25 37.924 -2.236 8.447 154 HG3 LYS 25 HG1 LYS 25 38.027 -2.155 10.207 155 HD2 LYS 25 HD2 LYS 25 38.513 0.240 10.094 156 HD3 LYS 25 HD1 LYS 25 38.479 0.180 8.333 157 HE2 LYS 25 HE2 LYS 25 36.072 -0.993 9.452 158 HE3 LYS 25 HE1 LYS 25 36.295 0.657 10.032 159 HZ1 LYS 25 HZ1 LYS 25 36.874 1.025 7.500 160 HZ2 LYS 25 HZ2 LYS 25 35.275 1.088 8.070 161 HZ3 LYS 25 HZ3 LYS 25 35.855 -0.318 7.314 162 H SER 26 HN SER 26 39.099 -1.073 11.174 163 HA SER 26 HA SER 26 39.122 0.071 13.167 164 HB2 SER 26 HB2 SER 26 39.901 -2.226 14.806 165 HB3 SER 26 HB1 SER 26 38.435 -1.252 14.857 166 HG SER 26 HG SER 26 37.492 -2.578 13.476 167 H SER 27 HN SER 27 41.650 -0.202 11.673 168 HA SER 27 HA SER 27 43.895 0.236 11.923 169 HB2 SER 27 HB2 SER 27 42.840 2.243 13.027 170 HB3 SER 27 HB1 SER 27 43.052 1.426 14.572 171 HG SER 27 HG SER 27 45.353 1.193 13.556 172 H GLY 28 HN GLY 28 43.020 -2.342 12.792 173 HA2 GLY 28 HA2 GLY 28 44.131 -4.170 13.706 174 HA3 GLY 28 HA1 GLY 28 45.295 -3.063 14.429 175 H ALA 29 HN ALA 29 42.106 -2.124 15.035 176 HA ALA 29 HA ALA 29 40.963 -1.929 17.032 177 HB1 ALA 29 HB1 ALA 29 40.155 -4.098 16.333 178 HB2 ALA 29 HB2 ALA 29 40.437 -4.142 18.073 179 HB3 ALA 29 HB3 ALA 29 41.596 -4.888 16.972 180 H LEU 30 HN LEU 30 43.495 -1.019 17.384 181 HA LEU 30 HA LEU 30 44.108 -1.933 20.121 182 HB2 LEU 30 HB2 LEU 30 46.023 -1.563 17.826 183 HB3 LEU 30 HB1 LEU 30 46.561 -1.426 19.500 184 HG LEU 30 HG LEU 30 44.901 -3.800 18.795 185 HD11 LEU 30 HD11 LEU 30 46.440 -3.737 16.907 186 HD12 LEU 30 HD12 LEU 30 46.958 -5.000 18.024 187 HD13 LEU 30 HD13 LEU 30 47.804 -3.454 17.989 188 HD21 LEU 30 HD21 LEU 30 47.469 -3.702 20.367 189 HD22 LEU 30 HD22 LEU 30 46.099 -4.795 20.558 190 HD23 LEU 30 HD23 LEU 30 45.967 -3.115 21.080 191 H ILE 31 HN ILE 31 42.551 0.078 20.095 192 HA ILE 31 HA ILE 31 43.741 2.192 21.352 193 HB ILE 31 HB ILE 31 44.187 2.392 18.492 194 HG12 ILE 31 HG12 ILE 31 45.789 2.830 20.406 195 HG13 ILE 31 HG11 ILE 31 45.748 4.089 19.178 196 HG21 ILE 31 HG21 ILE 31 42.123 3.689 18.365 197 HG22 ILE 31 HG22 ILE 31 43.503 4.769 18.231 198 HG23 ILE 31 HG23 ILE 31 42.613 4.673 19.744 199 HD11 ILE 31 HD11 ILE 31 45.453 4.488 21.900 200 HD12 ILE 31 HD12 ILE 31 43.787 4.515 21.321 201 HD13 ILE 31 HD13 ILE 31 44.974 5.629 20.644 202 HA PRO 32 HA PRO 32 39.289 3.365 19.779 203 HB2 PRO 32 HB2 PRO 32 38.301 0.761 18.799 204 HB3 PRO 32 HB1 PRO 32 38.175 2.364 18.054 205 HG2 PRO 32 HG2 PRO 32 39.781 0.463 17.071 206 HG3 PRO 32 HG1 PRO 32 40.203 2.185 17.005 207 HD2 PRO 32 HD2 PRO 32 41.211 0.067 18.879 208 HD3 PRO 32 HD1 PRO 32 42.103 1.393 18.102 209 H ALA 33 HN ALA 33 39.572 -0.086 20.673 210 HA ALA 33 HA ALA 33 37.404 -0.406 22.306 211 HB1 ALA 33 HB1 ALA 33 40.189 -1.505 22.413 212 HB2 ALA 33 HB2 ALA 33 38.670 -2.336 22.077 213 HB3 ALA 33 HB3 ALA 33 39.070 -1.864 23.729 214 H ILE 34 HN ILE 34 40.127 1.638 22.840 215 HA ILE 34 HA ILE 34 39.648 1.915 25.698 216 HB ILE 34 HB ILE 34 41.430 3.677 24.030 217 HG12 ILE 34 HG12 ILE 34 42.019 0.904 25.116 218 HG13 ILE 34 HG11 ILE 34 41.983 1.374 23.416 219 HG21 ILE 34 HG21 ILE 34 40.919 4.121 26.489 220 HG22 ILE 34 HG22 ILE 34 42.628 3.953 26.085 221 HG23 ILE 34 HG23 ILE 34 41.766 2.614 26.844 222 HD11 ILE 34 HD11 ILE 34 43.803 3.068 23.975 223 HD12 ILE 34 HD12 ILE 34 44.290 1.376 24.055 224 HD13 ILE 34 HD13 ILE 34 43.947 2.265 25.538 225 H TYR 35 HN TYR 35 39.195 3.778 22.725 226 HA TYR 35 HA TYR 35 38.200 6.131 23.973 227 HB2 TYR 35 HB2 TYR 35 38.566 5.122 21.273 228 HB3 TYR 35 HB1 TYR 35 37.043 5.997 21.437 229 HD1 TYR 35 HD1 TYR 35 37.261 8.212 22.970 230 HD2 TYR 35 HD2 TYR 35 40.448 6.394 20.735 231 HE1 TYR 35 HE1 TYR 35 38.486 10.368 22.961 232 HE2 TYR 35 HE2 TYR 35 41.672 8.550 20.728 233 HH TYR 35 HH TYR 35 40.269 11.462 21.446 234 H MET 36 HN MET 36 36.508 3.504 22.242 235 HA MET 36 HA MET 36 33.894 4.326 22.764 236 HB2 MET 36 HB2 MET 36 33.358 1.842 22.530 237 HB3 MET 36 HB1 MET 36 34.225 2.579 21.182 238 HG2 MET 36 HG2 MET 36 36.052 1.309 21.526 239 HG3 MET 36 HG1 MET 36 36.010 1.578 23.270 240 HE1 MET 36 HE1 MET 36 35.775 -0.627 24.788 241 HE2 MET 36 HE2 MET 36 34.071 -1.078 24.829 242 HE3 MET 36 HE3 MET 36 34.526 0.624 24.818 243 H LEU 37 HN LEU 37 36.262 3.036 24.882 244 HA LEU 37 HA LEU 37 34.312 2.160 26.871 245 HB2 LEU 37 HB2 LEU 37 36.418 0.873 26.477 246 HB3 LEU 37 HB1 LEU 37 37.334 2.265 27.047 247 HG LEU 37 HG LEU 37 36.124 2.140 29.223 248 HD11 LEU 37 HD11 LEU 37 34.732 -0.070 27.768 249 HD12 LEU 37 HD12 LEU 37 34.092 1.079 28.942 250 HD13 LEU 37 HD13 LEU 37 35.052 -0.297 29.486 251 HD21 LEU 37 HD21 LEU 37 38.127 1.061 29.504 252 HD22 LEU 37 HD22 LEU 37 37.855 -0.020 28.136 253 HD23 LEU 37 HD23 LEU 37 37.077 -0.344 29.685 254 H VAL 38 HN VAL 38 36.506 4.813 26.219 255 HA VAL 38 HA VAL 38 35.933 6.031 28.825 256 HB VAL 38 HB VAL 38 37.809 6.828 26.588 257 HG11 VAL 38 HG11 VAL 38 38.633 8.334 28.614 258 HG12 VAL 38 HG12 VAL 38 36.948 8.188 29.115 259 HG13 VAL 38 HG13 VAL 38 37.345 8.890 27.546 260 HG21 VAL 38 HG21 VAL 38 38.402 4.814 27.980 261 HG22 VAL 38 HG22 VAL 38 38.368 5.851 29.406 262 HG23 VAL 38 HG23 VAL 38 39.552 6.142 28.132 263 H PHE 39 HN PHE 39 34.486 5.889 25.875 264 HA PHE 39 HA PHE 39 33.777 8.687 25.592 265 HB2 PHE 39 HB2 PHE 39 33.517 6.260 24.022 266 HB3 PHE 39 HB1 PHE 39 32.009 7.173 24.052 267 HD1 PHE 39 HD2 PHE 39 32.400 9.845 23.876 268 HD2 PHE 39 HD1 PHE 39 35.038 6.819 22.346 269 HE1 PHE 39 HE2 PHE 39 33.349 11.483 22.274 270 HE2 PHE 39 HE1 PHE 39 35.987 8.457 20.744 271 HZ PHE 39 HZ PHE 39 35.143 10.788 20.707 272 H LEU 40 HN LEU 40 32.555 5.893 27.214 273 HA LEU 40 HA LEU 40 30.004 7.275 27.781 274 HB2 LEU 40 HB2 LEU 40 29.943 4.624 28.778 275 HB3 LEU 40 HB1 LEU 40 29.038 5.289 27.422 276 HG LEU 40 HG LEU 40 31.871 4.223 27.206 277 HD11 LEU 40 HD11 LEU 40 30.386 2.383 27.749 278 HD12 LEU 40 HD12 LEU 40 30.758 2.306 26.026 279 HD13 LEU 40 HD13 LEU 40 29.201 2.938 26.565 280 HD21 LEU 40 HD21 LEU 40 31.817 5.095 25.126 281 HD22 LEU 40 HD22 LEU 40 30.268 5.845 25.507 282 HD23 LEU 40 HD23 LEU 40 30.316 4.239 24.780 283 H LEU 41 HN LEU 41 32.665 5.460 29.258 284 HA LEU 41 HA LEU 41 31.763 6.173 31.939 285 HB2 LEU 41 HB2 LEU 41 33.895 4.399 30.796 286 HB3 LEU 41 HB1 LEU 41 34.012 4.915 32.475 287 HG LEU 41 HG LEU 41 32.812 2.718 32.146 288 HD11 LEU 41 HD11 LEU 41 31.690 3.176 34.047 289 HD12 LEU 41 HD12 LEU 41 30.612 4.291 33.211 290 HD13 LEU 41 HD13 LEU 41 32.156 4.862 33.837 291 HD21 LEU 41 HD21 LEU 41 30.718 2.625 31.055 292 HD22 LEU 41 HD22 LEU 41 31.705 3.624 29.988 293 HD23 LEU 41 HD23 LEU 41 30.534 4.378 31.071 294 H GLY 42 HN GLY 42 32.831 8.132 29.865 295 HA2 GLY 42 HA2 GLY 42 34.862 9.380 31.621 296 HA3 GLY 42 HA1 GLY 42 35.050 9.362 29.871 297 H THR 43 HN THR 43 31.865 9.619 30.120 298 HA THR 43 HA THR 43 31.938 12.536 29.867 299 HB THR 43 HB THR 43 30.729 11.692 28.081 300 HG1 THR 43 HG1 THR 43 28.537 11.690 29.798 301 HG21 THR 43 HG21 THR 43 28.993 9.822 28.493 302 HG22 THR 43 HG22 THR 43 29.807 9.595 30.040 303 HG23 THR 43 HG23 THR 43 30.699 9.378 28.536 304 H THR 44 HN THR 44 29.000 10.996 30.833 305 HA THR 44 HA THR 44 28.233 12.709 32.791 306 HB THR 44 HB THR 44 26.881 10.883 33.745 307 HG1 THR 44 HG1 THR 44 28.384 9.240 31.990 308 HG21 THR 44 HG21 THR 44 26.400 11.993 31.476 309 HG22 THR 44 HG22 THR 44 25.597 10.457 31.799 310 HG23 THR 44 HG23 THR 44 27.017 10.507 30.754 311 H GLY 45 HN GLY 45 28.947 9.600 34.179 312 HA2 GLY 45 HA2 GLY 45 31.268 10.469 35.655 313 HA3 GLY 45 HA1 GLY 45 29.803 10.422 36.632 314 H ASN 46 HN ASN 46 28.563 8.339 36.556 315 HA ASN 46 HA ASN 46 28.601 6.121 37.218 316 HB2 ASN 46 HB2 ASN 46 29.864 6.219 34.497 317 HB3 ASN 46 HB1 ASN 46 29.713 4.682 35.345 318 HD21 ASN 46 HD21 ASN 46 27.760 7.474 34.205 319 HD22 ASN 46 HD22 ASN 46 26.318 6.592 34.054 320 H GLY 47 HN GLY 47 30.991 7.866 37.958 321 HA2 GLY 47 HA2 GLY 47 32.701 5.637 38.831 322 HA3 GLY 47 HA1 GLY 47 33.450 7.000 38.005 323 H LEU 48 HN LEU 48 32.139 9.154 39.029 324 HA LEU 48 HA LEU 48 33.106 9.165 41.794 325 HB2 LEU 48 HB2 LEU 48 32.987 11.084 39.652 326 HB3 LEU 48 HB1 LEU 48 32.151 11.721 41.069 327 HG LEU 48 HG LEU 48 34.924 10.499 41.144 328 HD11 LEU 48 HD11 LEU 48 35.629 12.458 40.274 329 HD12 LEU 48 HD12 LEU 48 35.059 13.229 41.754 330 HD13 LEU 48 HD13 LEU 48 34.006 13.141 40.343 331 HD21 LEU 48 HD21 LEU 48 34.706 10.630 43.383 332 HD22 LEU 48 HD22 LEU 48 33.016 11.080 43.158 333 HD23 LEU 48 HD23 LEU 48 34.254 12.331 43.270 334 H VAL 49 HN VAL 49 30.169 9.773 39.919 335 HA VAL 49 HA VAL 49 28.497 10.748 41.913 336 HB VAL 49 HB VAL 49 27.792 8.868 39.646 337 HG11 VAL 49 HG11 VAL 49 26.187 10.449 41.624 338 HG12 VAL 49 HG12 VAL 49 25.876 8.844 40.962 339 HG13 VAL 49 HG13 VAL 49 25.575 10.277 39.980 340 HG21 VAL 49 HG21 VAL 49 28.786 11.512 39.627 341 HG22 VAL 49 HG22 VAL 49 27.055 11.646 39.317 342 HG23 VAL 49 HG23 VAL 49 28.062 10.638 38.277 343 H LEU 50 HN LEU 50 30.065 7.774 41.812 344 HA LEU 50 HA LEU 50 28.042 6.381 43.413 345 HB2 LEU 50 HB2 LEU 50 30.747 5.357 42.534 346 HB3 LEU 50 HB1 LEU 50 29.368 4.412 43.098 347 HG LEU 50 HG LEU 50 29.437 6.087 40.570 348 HD11 LEU 50 HD11 LEU 50 29.118 3.100 40.701 349 HD12 LEU 50 HD12 LEU 50 30.731 3.811 40.762 350 HD13 LEU 50 HD13 LEU 50 29.692 4.098 39.366 351 HD21 LEU 50 HD21 LEU 50 27.302 4.507 41.986 352 HD22 LEU 50 HD22 LEU 50 27.262 4.660 40.229 353 HD23 LEU 50 HD23 LEU 50 27.191 6.103 41.242 354 H TRP 51 HN TRP 51 31.100 8.015 43.714 355 HA TRP 51 HA TRP 51 31.879 6.946 46.232 356 HB2 TRP 51 HB2 TRP 51 33.720 8.099 45.692 357 HB3 TRP 51 HB1 TRP 51 32.860 8.891 44.372 358 HD1 TRP 51 HD1 TRP 51 31.435 11.135 45.051 359 HE1 TRP 51 HE1 TRP 51 31.961 12.934 46.821 360 HE3 TRP 51 HE3 TRP 51 34.792 8.582 47.930 361 HZ2 TRP 51 HZ2 TRP 51 33.592 13.248 49.150 362 HZ3 TRP 51 HZ3 TRP 51 35.815 9.654 49.916 363 HH2 TRP 51 HH2 TRP 51 35.220 11.981 50.530 364 H THR 52 HN THR 52 29.496 9.230 45.282 365 HA THR 52 HA THR 52 29.346 10.471 47.924 366 HB THR 52 HB THR 52 28.998 11.701 45.689 367 HG1 THR 52 HG1 THR 52 27.850 13.101 46.801 368 HG21 THR 52 HG21 THR 52 27.305 9.753 45.065 369 HG22 THR 52 HG22 THR 52 27.033 11.403 44.504 370 HG23 THR 52 HG23 THR 52 26.157 10.793 45.908 371 H VAL 53 HN VAL 53 27.881 7.929 46.100 372 HA VAL 53 HA VAL 53 25.407 7.813 47.539 373 HB VAL 53 HB VAL 53 26.870 5.840 45.781 374 HG11 VAL 53 HG11 VAL 53 24.420 4.795 45.885 375 HG12 VAL 53 HG12 VAL 53 24.434 5.529 47.489 376 HG13 VAL 53 HG13 VAL 53 25.658 4.336 47.054 377 HG21 VAL 53 HG21 VAL 53 24.169 6.989 45.219 378 HG22 VAL 53 HG22 VAL 53 25.467 6.575 44.099 379 HG23 VAL 53 HG23 VAL 53 25.561 8.058 45.051 380 H PHE 54 HN PHE 54 28.286 5.696 47.590 381 HA PHE 54 HA PHE 54 27.530 4.160 49.806 382 HB2 PHE 54 HB2 PHE 54 29.517 3.147 49.477 383 HB3 PHE 54 HB1 PHE 54 29.687 4.218 48.085 384 HD1 PHE 54 HD2 PHE 54 30.923 6.379 48.311 385 HD2 PHE 54 HD1 PHE 54 30.814 3.470 51.469 386 HE1 PHE 54 HE2 PHE 54 32.856 7.488 49.399 387 HE2 PHE 54 HE1 PHE 54 32.748 4.580 52.557 388 HZ PHE 54 HZ PHE 54 33.768 6.588 51.521 389 H ARG 55 HN ARG 55 28.783 7.383 49.605 390 HA ARG 55 HA ARG 55 29.708 7.533 52.326 391 HB2 ARG 55 HB2 ARG 55 30.538 8.983 50.436 392 HB3 ARG 55 HB1 ARG 55 28.989 9.823 50.489 393 HG2 ARG 55 HG2 ARG 55 29.878 11.139 52.089 394 HG3 ARG 55 HG1 ARG 55 29.812 9.736 53.156 395 HD2 ARG 55 HD2 ARG 55 32.068 9.051 52.215 396 HD3 ARG 55 HD1 ARG 55 32.133 10.627 51.430 397 HE ARG 55 HE ARG 55 31.599 10.803 54.258 398 HH11 ARG 55 HH21 ARG 55 34.014 10.461 51.803 399 HH12 ARG 55 HH22 ARG 55 35.285 11.141 52.764 400 HH21 ARG 55 HH11 ARG 55 33.260 11.696 55.524 401 HH22 ARG 55 HH12 ARG 55 34.858 11.840 54.871 402 H LYS 56 HN LYS 56 26.941 8.998 50.603 403 HA LYS 56 HA LYS 56 25.614 10.229 52.628 404 HB2 LYS 56 HB2 LYS 56 24.403 8.503 50.456 405 HB3 LYS 56 HB1 LYS 56 23.494 9.640 51.454 406 HG2 LYS 56 HG2 LYS 56 25.901 10.821 50.258 407 HG3 LYS 56 HG1 LYS 56 24.732 10.262 49.061 408 HD2 LYS 56 HD2 LYS 56 22.982 11.600 50.019 409 HD3 LYS 56 HD1 LYS 56 23.969 11.984 51.430 410 HE2 LYS 56 HE2 LYS 56 25.229 13.540 50.302 411 HE3 LYS 56 HE1 LYS 56 25.102 12.682 48.766 412 HZ1 LYS 56 HZ1 LYS 56 22.657 13.814 49.900 413 HZ2 LYS 56 HZ2 LYS 56 23.126 13.651 48.276 414 HZ3 LYS 56 HZ3 LYS 56 23.780 14.895 49.230 415 H LYS 57 HN LYS 57 25.733 6.754 52.012 416 HA LYS 57 HA LYS 57 23.938 6.177 54.230 417 HB2 LYS 57 HB2 LYS 57 25.514 4.359 52.392 418 HB3 LYS 57 HB1 LYS 57 24.365 3.809 53.613 419 HG2 LYS 57 HG2 LYS 57 22.559 4.412 52.367 420 HG3 LYS 57 HG1 LYS 57 23.328 5.892 51.793 421 HD2 LYS 57 HD2 LYS 57 24.499 4.754 50.077 422 HD3 LYS 57 HD1 LYS 57 24.216 3.177 50.816 423 HE2 LYS 57 HE2 LYS 57 21.782 4.723 50.132 424 HE3 LYS 57 HE1 LYS 57 22.730 4.149 48.760 425 HZ1 LYS 57 HZ1 LYS 57 21.557 2.280 49.106 426 HZ2 LYS 57 HZ2 LYS 57 21.219 2.646 50.729 427 HZ3 LYS 57 HZ3 LYS 57 22.722 1.983 50.301 428 H GLY 58 HN GLY 58 26.206 7.610 55.033 429 HA2 GLY 58 HA2 GLY 58 28.111 5.719 56.165 430 HA3 GLY 58 HA1 GLY 58 28.162 7.474 56.313 431 H HIS 59 HN HIS 59 25.354 7.638 57.172 432 HA HIS 59 HA HIS 59 25.288 6.195 59.708 433 HB2 HIS 59 HB2 HIS 59 25.460 9.210 59.534 434 HB3 HIS 59 HB1 HIS 59 24.963 8.331 60.980 435 HD2 HIS 59 HD2 HIS 59 28.231 8.833 58.816 436 HE1 HIS 59 HE1 HIS 59 29.302 6.995 62.462 437 HE2 HIS 59 HE2 HIS 59 30.204 8.028 60.325 438 H HIS 60 HN HIS 60 23.810 8.556 57.532 439 HA HIS 60 HA HIS 60 21.304 8.889 58.541 440 HB2 HIS 60 HB2 HIS 60 22.391 9.564 56.218 441 HB3 HIS 60 HB1 HIS 60 21.482 8.164 55.650 442 HD2 HIS 60 HD2 HIS 60 18.621 8.413 55.927 443 HE1 HIS 60 HE1 HIS 60 18.700 12.542 56.807 444 HE2 HIS 60 HE2 HIS 60 17.199 10.586 56.198 445 H HIS 61 HN HIS 61 19.804 7.538 59.273 446 HA HIS 61 HA HIS 61 19.840 4.812 59.298 447 HB2 HIS 61 HB2 HIS 61 17.670 6.834 59.477 448 HB3 HIS 61 HB1 HIS 61 17.180 5.160 59.214 449 HD2 HIS 61 HD2 HIS 61 18.165 7.381 62.138 450 HE1 HIS 61 HE1 HIS 61 18.812 3.423 63.457 451 HE2 HIS 61 HE2 HIS 61 18.645 5.847 64.196 452 H HIS 62 HN HIS 62 19.182 3.141 58.000 453 HA HIS 62 HA HIS 62 17.725 3.555 55.563 454 HB2 HIS 62 HB2 HIS 62 20.658 3.550 55.531 455 HB3 HIS 62 HB1 HIS 62 19.932 2.374 54.434 456 HD2 HIS 62 HD2 HIS 62 20.595 6.150 54.567 457 HE1 HIS 62 HE1 HIS 62 17.782 5.555 51.476 458 HE2 HIS 62 HE2 HIS 62 19.358 7.237 52.542 459 H HIS 63 HN HIS 63 18.669 1.739 58.114 460 HA HIS 63 HA HIS 63 18.643 -0.517 58.637 461 HB2 HIS 63 HB2 HIS 63 16.529 -1.480 58.278 462 HB3 HIS 63 HB1 HIS 63 16.206 0.253 58.242 463 HD2 HIS 63 HD2 HIS 63 15.318 1.236 55.761 464 HE1 HIS 63 HE1 HIS 63 15.578 -2.412 53.654 465 HE2 HIS 63 HE2 HIS 63 14.775 -0.007 53.530 466 H HIS 64 HN HIS 64 17.781 -2.743 57.227 467 HA HIS 64 HA HIS 64 18.816 -2.989 54.617 468 HB2 HIS 64 HB2 HIS 64 20.859 -4.372 55.247 469 HB3 HIS 64 HB1 HIS 64 21.004 -2.631 55.481 470 HD2 HIS 64 HD2 HIS 64 22.928 -4.117 57.497 471 HE1 HIS 64 HE1 HIS 64 19.839 -3.959 60.370 472 HE2 HIS 64 HE2 HIS 64 22.329 -4.321 60.030 Start of MODEL 39 1 H1 MET 1 HT1 MET 1 11.283 13.514 23.829 2 H2 MET 1 HT2 MET 1 10.077 12.323 23.726 3 H3 MET 1 HT3 MET 1 10.017 13.685 22.713 4 HA MET 1 HA MET 1 11.906 11.410 22.615 5 HB2 MET 1 HB2 MET 1 10.141 12.704 20.514 6 HB3 MET 1 HB1 MET 1 11.096 11.233 20.319 7 HG2 MET 1 HG2 MET 1 9.182 10.168 20.928 8 HG3 MET 1 HG1 MET 1 9.644 10.638 22.564 9 HE1 MET 1 HE1 MET 1 5.784 11.361 20.800 10 HE2 MET 1 HE2 MET 1 6.716 9.978 21.369 11 HE3 MET 1 HE3 MET 1 7.134 10.743 19.837 12 H GLU 2 HN GLU 2 13.078 13.701 23.488 13 HA GLU 2 HA GLU 2 14.709 15.253 23.022 14 HB2 GLU 2 HB2 GLU 2 15.088 13.309 20.740 15 HB3 GLU 2 HB1 GLU 2 16.190 14.647 21.064 16 HG2 GLU 2 HG2 GLU 2 16.724 13.779 23.245 17 HG3 GLU 2 HG1 GLU 2 15.449 12.566 23.135 18 H GLU 3 HN GLU 3 13.726 17.167 22.605 19 HA GLU 3 HA GLU 3 13.665 18.108 19.899 20 HB2 GLU 3 HB2 GLU 3 11.567 17.044 19.675 21 HB3 GLU 3 HB1 GLU 3 11.071 17.493 21.307 22 HG2 GLU 3 HG2 GLU 3 10.617 19.692 20.713 23 HG3 GLU 3 HG1 GLU 3 11.736 19.665 19.352 24 H GLY 4 HN GLY 4 14.899 19.821 20.560 25 HA2 GLY 4 HA2 GLY 4 14.005 22.222 21.223 26 HA3 GLY 4 HA1 GLY 4 14.013 21.464 22.814 27 H GLY 5 HN GLY 5 16.357 19.810 22.211 28 HA2 GLY 5 HA2 GLY 5 18.397 21.852 22.711 29 HA3 GLY 5 HA1 GLY 5 18.563 20.122 22.996 30 H ASP 6 HN ASP 6 20.672 20.578 21.881 31 HA ASP 6 HA ASP 6 22.034 20.625 20.011 32 HB2 ASP 6 HB2 ASP 6 21.100 18.292 20.089 33 HB3 ASP 6 HB1 ASP 6 19.880 18.803 18.924 34 H PHE 7 HN PHE 7 21.226 22.941 19.746 35 HA PHE 7 HA PHE 7 20.374 23.262 16.977 36 HB2 PHE 7 HB2 PHE 7 18.400 23.356 18.828 37 HB3 PHE 7 HB1 PHE 7 18.926 25.039 18.848 38 HD1 PHE 7 HD2 PHE 7 18.891 26.392 16.760 39 HD2 PHE 7 HD1 PHE 7 17.302 22.404 16.907 40 HE1 PHE 7 HE2 PHE 7 17.688 26.793 14.629 41 HE2 PHE 7 HE1 PHE 7 16.099 22.805 14.776 42 HZ PHE 7 HZ PHE 7 16.293 25.000 13.637 43 H ASP 8 HN ASP 8 20.763 25.416 16.165 44 HA ASP 8 HA ASP 8 22.206 27.183 15.858 45 HB2 ASP 8 HB2 ASP 8 20.511 27.874 17.753 46 HB3 ASP 8 HB1 ASP 8 21.950 27.817 18.769 47 H ASN 9 HN ASN 9 23.498 24.737 16.383 48 HA ASN 9 HA ASN 9 26.021 25.750 17.459 49 HB2 ASN 9 HB2 ASN 9 24.707 24.614 19.331 50 HB3 ASN 9 HB1 ASN 9 24.932 23.112 18.437 51 HD21 ASN 9 HD21 ASN 9 27.052 22.160 18.419 52 HD22 ASN 9 HD22 ASN 9 28.334 22.776 19.345 53 H TYR 10 HN TYR 10 25.713 25.447 14.864 54 HA TYR 10 HA TYR 10 27.503 23.302 14.207 55 HB2 TYR 10 HB2 TYR 10 24.603 23.167 13.484 56 HB3 TYR 10 HB1 TYR 10 25.801 22.538 12.353 57 HD1 TYR 10 HD2 TYR 10 27.503 20.831 13.210 58 HD2 TYR 10 HD1 TYR 10 23.976 21.930 15.401 59 HE1 TYR 10 HE2 TYR 10 27.706 18.768 14.570 60 HE2 TYR 10 HE1 TYR 10 24.179 19.866 16.762 61 HH TYR 10 HH TYR 10 26.115 17.288 15.911 62 H TYR 11 HN TYR 11 28.436 25.569 13.832 63 HA TYR 11 HA TYR 11 27.594 27.237 11.755 64 HB2 TYR 11 HB2 TYR 11 30.399 26.657 12.736 65 HB3 TYR 11 HB1 TYR 11 29.961 27.999 11.679 66 HD1 TYR 11 HD2 TYR 11 29.404 26.520 15.044 67 HD2 TYR 11 HD1 TYR 11 28.927 29.974 12.535 68 HE1 TYR 11 HE2 TYR 11 28.742 27.865 17.020 69 HE2 TYR 11 HE1 TYR 11 28.266 31.318 14.511 70 HH TYR 11 HH TYR 11 27.750 29.827 17.659 71 H GLY 12 HN GLY 12 29.454 27.533 9.865 72 HA2 GLY 12 HA2 GLY 12 29.096 25.128 8.229 73 HA3 GLY 12 HA1 GLY 12 29.551 26.726 7.645 74 H ALA 13 HN ALA 13 30.833 24.291 9.926 75 HA ALA 13 HA ALA 13 33.562 25.017 9.247 76 HB1 ALA 13 HB1 ALA 13 32.421 22.904 11.088 77 HB2 ALA 13 HB2 ALA 13 33.085 24.468 11.556 78 HB3 ALA 13 HB3 ALA 13 34.144 23.225 10.890 79 H ASP 14 HN ASP 14 32.390 24.214 6.950 80 HA ASP 14 HA ASP 14 32.924 21.381 6.515 81 HB2 ASP 14 HB2 ASP 14 32.147 23.454 4.460 82 HB3 ASP 14 HB1 ASP 14 31.977 21.704 4.345 83 H ASN 15 HN ASN 15 35.239 22.524 7.304 84 HA ASN 15 HA ASN 15 36.870 22.311 4.885 85 HB2 ASN 15 HB2 ASN 15 36.266 24.798 5.537 86 HB3 ASN 15 HB1 ASN 15 37.524 24.556 6.749 87 HD21 ASN 15 HD21 ASN 15 39.505 25.285 5.985 88 HD22 ASN 15 HD22 ASN 15 40.042 25.151 4.380 89 H GLN 16 HN GLN 16 36.616 20.386 6.793 90 HA GLN 16 HA GLN 16 38.691 20.656 8.798 91 HB2 GLN 16 HB2 GLN 16 38.133 18.222 9.222 92 HB3 GLN 16 HB1 GLN 16 36.791 19.348 9.428 93 HG2 GLN 16 HG2 GLN 16 37.084 18.336 6.681 94 HG3 GLN 16 HG1 GLN 16 36.708 17.087 7.867 95 HE21 GLN 16 HE21 GLN 16 35.346 19.613 5.977 96 HE22 GLN 16 HE22 GLN 16 33.821 19.649 6.720 97 H SER 17 HN SER 17 38.420 19.535 5.548 98 HA SER 17 HA SER 17 39.858 18.381 4.157 99 HB2 SER 17 HB2 SER 17 41.653 19.695 3.814 100 HB3 SER 17 HB1 SER 17 41.076 20.648 5.179 101 HG SER 17 HG SER 17 43.327 19.383 5.030 102 H GLU 18 HN GLU 18 42.326 17.316 4.382 103 HA GLU 18 HA GLU 18 41.866 15.110 6.255 104 HB2 GLU 18 HB2 GLU 18 43.538 15.492 3.797 105 HB3 GLU 18 HB1 GLU 18 43.958 14.220 4.945 106 HG2 GLU 18 HG2 GLU 18 42.418 13.439 3.130 107 HG3 GLU 18 HG1 GLU 18 41.746 13.237 4.748 108 H CYS 19 HN CYS 19 43.575 14.312 7.609 109 HA CYS 19 HA CYS 19 46.027 15.657 8.015 110 HB2 CYS 19 HB2 CYS 19 45.445 16.673 10.260 111 HB3 CYS 19 HB1 CYS 19 44.779 17.515 8.861 112 HG CYS 19 HG CYS 19 42.829 17.155 10.579 113 H GLU 20 HN GLU 20 47.136 14.905 9.999 114 HA GLU 20 HA GLU 20 47.856 13.166 11.316 115 HB2 GLU 20 HB2 GLU 20 44.877 12.873 11.770 116 HB3 GLU 20 HB1 GLU 20 46.134 12.115 12.748 117 HG2 GLU 20 HG2 GLU 20 46.664 14.060 13.809 118 HG3 GLU 20 HG1 GLU 20 46.446 15.027 12.352 119 H TYR 21 HN TYR 21 46.473 12.714 8.455 120 HA TYR 21 HA TYR 21 45.830 9.926 8.470 121 HB2 TYR 21 HB2 TYR 21 45.576 10.132 6.137 122 HB3 TYR 21 HB1 TYR 21 45.118 11.717 6.760 123 HD1 TYR 21 HD1 TYR 21 46.922 13.546 6.843 124 HD2 TYR 21 HD2 TYR 21 47.349 9.911 4.595 125 HE1 TYR 21 HE1 TYR 21 48.707 14.599 5.482 126 HE2 TYR 21 HE2 TYR 21 49.134 10.963 3.233 127 HH TYR 21 HH TYR 21 49.851 14.377 3.466 128 H THR 22 HN THR 22 48.599 11.112 9.343 129 HA THR 22 HA THR 22 50.373 9.571 7.600 130 HB THR 22 HB THR 22 50.815 11.521 9.854 131 HG1 THR 22 HG1 THR 22 51.991 11.485 7.303 132 HG21 THR 22 HG21 THR 22 52.516 10.025 10.379 133 HG22 THR 22 HG22 THR 22 53.317 11.040 9.179 134 HG23 THR 22 HG23 THR 22 52.675 9.465 8.714 135 H ASP 23 HN ASP 23 49.507 9.747 11.054 136 HA ASP 23 HA ASP 23 50.649 7.052 11.427 137 HB2 ASP 23 HB2 ASP 23 51.128 9.236 12.905 138 HB3 ASP 23 HB1 ASP 23 49.692 8.651 13.743 139 H TRP 24 HN TRP 24 48.039 7.647 10.157 140 HA TRP 24 HA TRP 24 45.837 7.274 11.783 141 HB2 TRP 24 HB2 TRP 24 44.954 5.927 9.712 142 HB3 TRP 24 HB1 TRP 24 45.291 7.649 9.563 143 HD1 TRP 24 HD1 TRP 24 48.232 5.260 9.733 144 HE1 TRP 24 HE1 TRP 24 49.395 5.190 7.438 145 HE3 TRP 24 HE3 TRP 24 44.853 7.894 6.953 146 HZ2 TRP 24 HZ2 TRP 24 48.953 6.126 4.770 147 HZ3 TRP 24 HZ3 TRP 24 45.250 8.290 4.539 148 HH2 TRP 24 HH2 TRP 24 47.293 7.410 3.445 149 H LYS 25 HN LYS 25 46.175 4.487 9.817 150 HA LYS 25 HA LYS 25 45.564 2.687 11.885 151 HB2 LYS 25 HB2 LYS 25 46.304 0.929 10.239 152 HB3 LYS 25 HB1 LYS 25 45.105 2.059 9.612 153 HG2 LYS 25 HG2 LYS 25 47.895 2.941 9.239 154 HG3 LYS 25 HG1 LYS 25 47.493 1.458 8.376 155 HD2 LYS 25 HD2 LYS 25 45.635 3.825 8.229 156 HD3 LYS 25 HD1 LYS 25 47.071 3.766 7.213 157 HE2 LYS 25 HE2 LYS 25 44.919 1.633 7.325 158 HE3 LYS 25 HE1 LYS 25 45.127 2.815 6.035 159 HZ1 LYS 25 HZ1 LYS 25 47.581 1.765 6.203 160 HZ2 LYS 25 HZ2 LYS 25 46.384 1.223 5.126 161 HZ3 LYS 25 HZ3 LYS 25 46.635 0.413 6.598 162 H SER 26 HN SER 26 48.094 1.208 10.363 163 HA SER 26 HA SER 26 50.129 0.428 11.085 164 HB2 SER 26 HB2 SER 26 50.343 3.179 12.327 165 HB3 SER 26 HB1 SER 26 51.678 2.078 11.999 166 HG SER 26 HG SER 26 50.165 3.649 10.275 167 H SER 27 HN SER 27 48.095 -0.494 12.590 168 HA SER 27 HA SER 27 47.869 -1.690 14.560 169 HB2 SER 27 HB2 SER 27 50.043 -0.208 15.949 170 HB3 SER 27 HB1 SER 27 49.640 -1.922 15.997 171 HG SER 27 HG SER 27 50.658 -2.217 14.083 172 H GLY 28 HN GLY 28 48.184 1.735 14.363 173 HA2 GLY 28 HA2 GLY 28 47.353 2.631 16.847 174 HA3 GLY 28 HA1 GLY 28 46.946 3.427 15.328 175 H ALA 29 HN ALA 29 45.697 0.569 14.754 176 HA ALA 29 HA ALA 29 43.007 1.374 15.355 177 HB1 ALA 29 HB1 ALA 29 43.925 -0.072 13.374 178 HB2 ALA 29 HB2 ALA 29 42.341 -0.438 14.057 179 HB3 ALA 29 HB3 ALA 29 43.742 -1.408 14.510 180 H LEU 30 HN LEU 30 44.902 0.863 17.625 181 HA LEU 30 HA LEU 30 43.427 -1.302 18.993 182 HB2 LEU 30 HB2 LEU 30 46.194 -0.174 19.388 183 HB3 LEU 30 HB1 LEU 30 45.396 -1.130 20.638 184 HG LEU 30 HG LEU 30 45.467 -2.205 17.840 185 HD11 LEU 30 HD11 LEU 30 47.802 -1.852 19.674 186 HD12 LEU 30 HD12 LEU 30 47.752 -1.857 17.911 187 HD13 LEU 30 HD13 LEU 30 47.667 -3.377 18.799 188 HD21 LEU 30 HD21 LEU 30 45.600 -4.346 19.089 189 HD22 LEU 30 HD22 LEU 30 44.212 -3.393 19.606 190 HD23 LEU 30 HD23 LEU 30 45.663 -3.451 20.606 191 H ILE 31 HN ILE 31 44.436 2.060 19.169 192 HA ILE 31 HA ILE 31 43.555 2.535 21.821 193 HB ILE 31 HB ILE 31 44.617 4.090 19.605 194 HG12 ILE 31 HG12 ILE 31 45.675 3.538 21.835 195 HG13 ILE 31 HG11 ILE 31 45.752 5.236 21.374 196 HG21 ILE 31 HG21 ILE 31 42.468 5.387 21.319 197 HG22 ILE 31 HG22 ILE 31 42.483 5.245 19.560 198 HG23 ILE 31 HG23 ILE 31 43.658 6.274 20.371 199 HD11 ILE 31 HD11 ILE 31 44.813 4.285 23.793 200 HD12 ILE 31 HD12 ILE 31 43.323 4.569 22.894 201 HD13 ILE 31 HD13 ILE 31 44.475 5.882 23.130 202 HA PRO 32 HA PRO 32 39.519 4.100 19.506 203 HB2 PRO 32 HB2 PRO 32 39.374 1.959 17.451 204 HB3 PRO 32 HB1 PRO 32 39.000 3.687 17.309 205 HG2 PRO 32 HG2 PRO 32 41.198 2.636 16.228 206 HG3 PRO 32 HG1 PRO 32 41.183 4.267 16.923 207 HD2 PRO 32 HD2 PRO 32 42.321 1.743 18.063 208 HD3 PRO 32 HD1 PRO 32 42.928 3.408 18.182 209 H ALA 33 HN ALA 33 40.662 0.892 20.115 210 HA ALA 33 HA ALA 33 38.024 -0.199 20.679 211 HB1 ALA 33 HB1 ALA 33 39.273 -2.239 21.300 212 HB2 ALA 33 HB2 ALA 33 40.790 -1.364 21.093 213 HB3 ALA 33 HB3 ALA 33 39.744 -1.656 19.704 214 H ILE 34 HN ILE 34 40.045 1.851 22.246 215 HA ILE 34 HA ILE 34 39.337 0.836 24.931 216 HB ILE 34 HB ILE 34 41.336 3.016 24.356 217 HG12 ILE 34 HG12 ILE 34 41.809 0.019 24.422 218 HG13 ILE 34 HG11 ILE 34 42.024 1.076 23.026 219 HG21 ILE 34 HG21 ILE 34 42.186 2.428 26.529 220 HG22 ILE 34 HG22 ILE 34 41.193 0.973 26.587 221 HG23 ILE 34 HG23 ILE 34 40.435 2.560 26.687 222 HD11 ILE 34 HD11 ILE 34 43.732 0.761 25.445 223 HD12 ILE 34 HD12 ILE 34 43.583 2.387 24.780 224 HD13 ILE 34 HD13 ILE 34 44.197 1.077 23.773 225 H TYR 35 HN TYR 35 38.684 3.184 22.573 226 HA TYR 35 HA TYR 35 37.905 5.361 24.222 227 HB2 TYR 35 HB2 TYR 35 38.110 4.860 21.470 228 HB3 TYR 35 HB1 TYR 35 36.406 5.214 21.753 229 HD1 TYR 35 HD1 TYR 35 35.865 7.288 23.230 230 HD2 TYR 35 HD2 TYR 35 39.665 6.614 21.346 231 HE1 TYR 35 HE1 TYR 35 36.397 9.701 23.442 232 HE2 TYR 35 HE2 TYR 35 40.198 9.026 21.557 233 HH TYR 35 HH TYR 35 37.882 11.295 23.052 234 H MET 36 HN MET 36 36.056 2.734 22.676 235 HA MET 36 HA MET 36 33.492 3.404 23.324 236 HB2 MET 36 HB2 MET 36 32.931 1.146 23.124 237 HB3 MET 36 HB1 MET 36 34.452 1.235 22.234 238 HG2 MET 36 HG2 MET 36 35.599 0.617 24.450 239 HG3 MET 36 HG1 MET 36 33.990 0.200 25.040 240 HE1 MET 36 HE1 MET 36 36.691 -1.672 22.035 241 HE2 MET 36 HE2 MET 36 36.430 0.038 22.363 242 HE3 MET 36 HE3 MET 36 35.469 -0.770 21.128 243 H LEU 37 HN LEU 37 36.022 2.320 25.486 244 HA LEU 37 HA LEU 37 34.298 1.955 27.761 245 HB2 LEU 37 HB2 LEU 37 37.037 1.445 27.100 246 HB3 LEU 37 HB1 LEU 37 36.997 2.423 28.565 247 HG LEU 37 HG LEU 37 36.932 0.024 29.111 248 HD11 LEU 37 HD11 LEU 37 34.145 0.722 29.753 249 HD12 LEU 37 HD12 LEU 37 35.311 1.987 30.139 250 HD13 LEU 37 HD13 LEU 37 35.496 0.375 30.831 251 HD21 LEU 37 HD21 LEU 37 35.422 -0.230 26.837 252 HD22 LEU 37 HD22 LEU 37 34.188 -0.361 28.092 253 HD23 LEU 37 HD23 LEU 37 35.558 -1.470 28.083 254 H VAL 38 HN VAL 38 36.977 4.250 27.220 255 HA VAL 38 HA VAL 38 36.338 6.008 29.284 256 HB VAL 38 HB VAL 38 37.507 6.960 26.679 257 HG11 VAL 38 HG11 VAL 38 38.385 8.641 27.946 258 HG12 VAL 38 HG12 VAL 38 38.716 7.572 29.309 259 HG13 VAL 38 HG13 VAL 38 37.092 8.215 29.068 260 HG21 VAL 38 HG21 VAL 38 39.673 6.111 28.111 261 HG22 VAL 38 HG22 VAL 38 38.924 5.175 26.818 262 HG23 VAL 38 HG23 VAL 38 38.505 4.848 28.499 263 H PHE 39 HN PHE 39 34.560 5.342 26.515 264 HA PHE 39 HA PHE 39 33.505 7.871 25.837 265 HB2 PHE 39 HB2 PHE 39 33.213 5.327 24.867 266 HB3 PHE 39 HB1 PHE 39 31.642 5.605 25.618 267 HD1 PHE 39 HD1 PHE 39 31.196 8.458 25.283 268 HD2 PHE 39 HD2 PHE 39 32.949 5.639 22.556 269 HE1 PHE 39 HE1 PHE 39 30.535 9.894 23.373 270 HE2 PHE 39 HE2 PHE 39 32.286 7.075 20.646 271 HZ PHE 39 HZ PHE 39 31.080 9.203 21.055 272 H LEU 40 HN LEU 40 31.834 5.287 27.653 273 HA LEU 40 HA LEU 40 29.871 7.058 28.711 274 HB2 LEU 40 HB2 LEU 40 29.444 5.073 30.284 275 HB3 LEU 40 HB1 LEU 40 29.232 4.789 28.556 276 HG LEU 40 HG LEU 40 31.987 4.353 29.478 277 HD11 LEU 40 HD11 LEU 40 29.749 2.570 30.491 278 HD12 LEU 40 HD12 LEU 40 30.801 3.573 31.490 279 HD13 LEU 40 HD13 LEU 40 31.472 2.206 30.601 280 HD21 LEU 40 HD21 LEU 40 31.825 2.468 28.015 281 HD22 LEU 40 HD22 LEU 40 30.896 3.752 27.241 282 HD23 LEU 40 HD23 LEU 40 30.064 2.460 28.107 283 H LEU 41 HN LEU 41 33.018 5.996 29.791 284 HA LEU 41 HA LEU 41 32.627 7.147 32.452 285 HB2 LEU 41 HB2 LEU 41 34.778 5.505 31.149 286 HB3 LEU 41 HB1 LEU 41 35.117 6.396 32.633 287 HG LEU 41 HG LEU 41 32.605 4.803 32.588 288 HD11 LEU 41 HD11 LEU 41 34.124 2.818 33.378 289 HD12 LEU 41 HD12 LEU 41 35.371 3.631 32.432 290 HD13 LEU 41 HD13 LEU 41 33.888 3.083 31.650 291 HD21 LEU 41 HD21 LEU 41 33.260 4.417 34.921 292 HD22 LEU 41 HD22 LEU 41 33.374 6.137 34.547 293 HD23 LEU 41 HD23 LEU 41 34.835 5.151 34.620 294 H GLY 42 HN GLY 42 32.833 8.653 29.773 295 HA2 GLY 42 HA2 GLY 42 34.845 10.612 30.706 296 HA3 GLY 42 HA1 GLY 42 34.743 10.154 29.008 297 H THR 43 HN THR 43 31.659 9.993 29.972 298 HA THR 43 HA THR 43 31.103 12.745 29.081 299 HB THR 43 HB THR 43 30.108 10.841 27.800 300 HG1 THR 43 HG1 THR 43 28.877 12.547 27.535 301 HG21 THR 43 HG21 THR 43 28.915 9.200 28.805 302 HG22 THR 43 HG22 THR 43 28.051 10.342 29.834 303 HG23 THR 43 HG23 THR 43 29.652 9.771 30.303 304 H THR 44 HN THR 44 28.289 12.145 30.166 305 HA THR 44 HA THR 44 27.064 12.863 31.970 306 HB THR 44 HB THR 44 28.134 12.025 34.228 307 HG1 THR 44 HG1 THR 44 30.086 11.356 33.792 308 HG21 THR 44 HG21 THR 44 27.054 10.354 31.961 309 HG22 THR 44 HG22 THR 44 26.199 10.952 33.383 310 HG23 THR 44 HG23 THR 44 27.388 9.660 33.547 311 H GLY 45 HN GLY 45 30.153 13.019 33.661 312 HA2 GLY 45 HA2 GLY 45 30.415 15.878 33.380 313 HA3 GLY 45 HA1 GLY 45 29.827 15.389 34.967 314 H ASN 46 HN ASN 46 32.257 14.042 32.726 315 HA ASN 46 HA ASN 46 34.309 14.411 34.804 316 HB2 ASN 46 HB2 ASN 46 33.727 11.823 33.347 317 HB3 ASN 46 HB1 ASN 46 35.154 12.115 34.340 318 HD21 ASN 46 HD21 ASN 46 31.571 12.004 34.510 319 HD22 ASN 46 HD22 ASN 46 31.511 11.633 36.164 320 H GLY 47 HN GLY 47 35.453 15.936 33.701 321 HA2 GLY 47 HA2 GLY 47 37.480 15.553 32.074 322 HA3 GLY 47 HA1 GLY 47 36.172 15.449 30.898 323 H LEU 48 HN LEU 48 34.646 17.325 30.852 324 HA LEU 48 HA LEU 48 36.137 19.769 30.655 325 HB2 LEU 48 HB2 LEU 48 33.787 18.755 29.532 326 HB3 LEU 48 HB1 LEU 48 33.245 20.088 30.548 327 HG LEU 48 HG LEU 48 33.747 20.942 28.327 328 HD11 LEU 48 HD11 LEU 48 34.730 21.979 30.665 329 HD12 LEU 48 HD12 LEU 48 34.786 22.804 29.108 330 HD13 LEU 48 HD13 LEU 48 36.189 21.899 29.676 331 HD21 LEU 48 HD21 LEU 48 35.851 19.023 28.449 332 HD22 LEU 48 HD22 LEU 48 36.595 20.608 28.240 333 HD23 LEU 48 HD23 LEU 48 35.391 20.039 27.084 334 H VAL 49 HN VAL 49 33.593 18.536 32.794 335 HA VAL 49 HA VAL 49 33.142 20.852 34.298 336 HB VAL 49 HB VAL 49 33.127 18.091 35.502 337 HG11 VAL 49 HG11 VAL 49 30.950 20.108 35.802 338 HG12 VAL 49 HG12 VAL 49 32.485 20.460 36.593 339 HG13 VAL 49 HG13 VAL 49 31.610 18.982 36.988 340 HG21 VAL 49 HG21 VAL 49 31.310 19.280 33.404 341 HG22 VAL 49 HG22 VAL 49 30.722 18.059 34.532 342 HG23 VAL 49 HG23 VAL 49 32.049 17.679 33.436 343 H LEU 50 HN LEU 50 35.777 18.584 34.332 344 HA LEU 50 HA LEU 50 36.806 19.468 36.892 345 HB2 LEU 50 HB2 LEU 50 37.778 17.584 34.755 346 HB3 LEU 50 HB1 LEU 50 38.830 18.067 36.082 347 HG LEU 50 HG LEU 50 37.553 15.928 36.498 348 HD11 LEU 50 HD11 LEU 50 38.072 18.043 38.250 349 HD12 LEU 50 HD12 LEU 50 37.656 16.393 38.706 350 HD13 LEU 50 HD13 LEU 50 36.393 17.615 38.576 351 HD21 LEU 50 HD21 LEU 50 35.476 16.861 35.308 352 HD22 LEU 50 HD22 LEU 50 35.144 17.723 36.812 353 HD23 LEU 50 HD23 LEU 50 35.198 15.960 36.799 354 H TRP 51 HN TRP 51 37.476 20.013 33.470 355 HA TRP 51 HA TRP 51 39.883 21.307 33.497 356 HB2 TRP 51 HB2 TRP 51 39.265 21.586 31.363 357 HB3 TRP 51 HB1 TRP 51 37.582 21.261 31.777 358 HD1 TRP 51 HD1 TRP 51 36.143 23.416 32.694 359 HE1 TRP 51 HE1 TRP 51 36.307 25.896 32.009 360 HE3 TRP 51 HE3 TRP 51 40.780 23.435 30.554 361 HZ2 TRP 51 HZ2 TRP 51 38.161 27.655 30.724 362 HZ3 TRP 51 HZ3 TRP 51 41.719 25.524 29.608 363 HH2 TRP 51 HH2 TRP 51 40.417 27.631 29.690 364 H THR 52 HN THR 52 36.764 22.579 34.547 365 HA THR 52 HA THR 52 37.686 25.252 34.981 366 HB THR 52 HB THR 52 35.247 23.691 35.775 367 HG1 THR 52 HG1 THR 52 35.996 25.665 34.000 368 HG21 THR 52 HG21 THR 52 36.217 26.314 36.887 369 HG22 THR 52 HG22 THR 52 35.502 24.947 37.743 370 HG23 THR 52 HG23 THR 52 34.490 25.984 36.738 371 H VAL 53 HN VAL 53 37.669 22.307 36.851 372 HA VAL 53 HA VAL 53 38.518 23.746 39.271 373 HB VAL 53 HB VAL 53 38.148 20.774 39.117 374 HG11 VAL 53 HG11 VAL 53 39.018 21.830 41.178 375 HG12 VAL 53 HG12 VAL 53 37.424 21.123 41.447 376 HG13 VAL 53 HG13 VAL 53 37.594 22.867 41.243 377 HG21 VAL 53 HG21 VAL 53 35.704 21.508 39.903 378 HG22 VAL 53 HG22 VAL 53 36.085 21.281 38.196 379 HG23 VAL 53 HG23 VAL 53 36.059 22.905 38.886 380 H PHE 54 HN PHE 54 39.841 22.224 36.587 381 HA PHE 54 HA PHE 54 42.258 21.363 38.029 382 HB2 PHE 54 HB2 PHE 54 41.181 19.797 36.405 383 HB3 PHE 54 HB1 PHE 54 41.539 20.952 35.120 384 HD1 PHE 54 HD1 PHE 54 43.018 18.663 37.625 385 HD2 PHE 54 HD2 PHE 54 43.787 21.270 34.299 386 HE1 PHE 54 HE1 PHE 54 45.318 17.753 37.443 387 HE2 PHE 54 HE2 PHE 54 46.087 20.360 34.117 388 HZ PHE 54 HZ PHE 54 46.853 18.602 35.690 389 H ARG 55 HN ARG 55 41.039 23.817 35.914 390 HA ARG 55 HA ARG 55 43.723 24.744 35.204 391 HB2 ARG 55 HB2 ARG 55 41.627 24.705 33.646 392 HB3 ARG 55 HB1 ARG 55 41.195 26.192 34.491 393 HG2 ARG 55 HG2 ARG 55 43.783 26.733 33.975 394 HG3 ARG 55 HG1 ARG 55 43.442 25.664 32.614 395 HD2 ARG 55 HD2 ARG 55 42.831 27.744 31.751 396 HD3 ARG 55 HD1 ARG 55 41.291 27.127 32.342 397 HE ARG 55 HE ARG 55 42.696 28.657 34.331 398 HH11 ARG 55 HH21 ARG 55 40.670 28.790 31.529 399 HH12 ARG 55 HH22 ARG 55 39.975 30.325 31.934 400 HH21 ARG 55 HH11 ARG 55 41.788 30.668 34.870 401 HH22 ARG 55 HH12 ARG 55 40.608 31.387 33.825 402 H LYS 56 HN LYS 56 40.844 25.871 36.959 403 HA LYS 56 HA LYS 56 41.511 28.398 37.696 404 HB2 LYS 56 HB2 LYS 56 40.192 26.177 39.223 405 HB3 LYS 56 HB1 LYS 56 40.489 27.728 40.007 406 HG2 LYS 56 HG2 LYS 56 39.213 27.685 37.291 407 HG3 LYS 56 HG1 LYS 56 38.228 27.319 38.707 408 HD2 LYS 56 HD2 LYS 56 39.989 29.714 38.890 409 HD3 LYS 56 HD1 LYS 56 38.593 29.834 37.819 410 HE2 LYS 56 HE2 LYS 56 38.268 30.500 40.303 411 HE3 LYS 56 HE1 LYS 56 37.061 29.444 39.568 412 HZ1 LYS 56 HZ1 LYS 56 39.378 28.538 41.190 413 HZ2 LYS 56 HZ2 LYS 56 38.188 27.537 40.505 414 HZ3 LYS 56 HZ3 LYS 56 37.776 28.633 41.737 415 H LYS 57 HN LYS 57 42.424 25.546 39.648 416 HA LYS 57 HA LYS 57 44.308 27.034 41.212 417 HB2 LYS 57 HB2 LYS 57 43.922 24.047 40.901 418 HB3 LYS 57 HB1 LYS 57 44.927 24.821 42.127 419 HG2 LYS 57 HG2 LYS 57 43.138 25.418 43.388 420 HG3 LYS 57 HG1 LYS 57 42.190 25.894 41.978 421 HD2 LYS 57 HD2 LYS 57 41.497 23.661 41.553 422 HD3 LYS 57 HD1 LYS 57 42.722 22.994 42.634 423 HE2 LYS 57 HE2 LYS 57 41.590 24.029 44.565 424 HE3 LYS 57 HE1 LYS 57 40.365 24.701 43.488 425 HZ1 LYS 57 HZ1 LYS 57 39.542 22.600 42.989 426 HZ2 LYS 57 HZ2 LYS 57 39.848 22.515 44.659 427 HZ3 LYS 57 HZ3 LYS 57 40.927 21.803 43.556 428 H GLY 58 HN GLY 58 45.004 27.597 38.666 429 HA2 GLY 58 HA2 GLY 58 46.921 25.865 37.494 430 HA3 GLY 58 HA1 GLY 58 46.750 27.588 37.164 431 H HIS 59 HN HIS 59 48.690 28.506 37.406 432 HA HIS 59 HA HIS 59 50.136 28.058 39.935 433 HB2 HIS 59 HB2 HIS 59 51.379 28.070 37.176 434 HB3 HIS 59 HB1 HIS 59 52.274 28.046 38.695 435 HD2 HIS 59 HD2 HIS 59 50.406 25.576 36.360 436 HE1 HIS 59 HE1 HIS 59 51.487 23.423 39.827 437 HE2 HIS 59 HE2 HIS 59 50.563 23.218 37.470 438 H HIS 60 HN HIS 60 51.152 29.844 37.077 439 HA HIS 60 HA HIS 60 50.283 32.385 38.065 440 HB2 HIS 60 HB2 HIS 60 52.055 32.465 39.544 441 HB3 HIS 60 HB1 HIS 60 53.086 31.464 38.522 442 HD2 HIS 60 HD2 HIS 60 54.804 32.916 36.891 443 HE1 HIS 60 HE1 HIS 60 53.014 36.704 37.407 444 HE2 HIS 60 HE2 HIS 60 54.976 35.468 36.372 445 H HIS 61 HN HIS 61 50.436 33.995 36.516 446 HA HIS 61 HA HIS 61 50.712 33.141 33.812 447 HB2 HIS 61 HB2 HIS 61 50.411 35.866 35.082 448 HB3 HIS 61 HB1 HIS 61 50.496 35.627 33.337 449 HD2 HIS 61 HD2 HIS 61 47.762 35.947 35.824 450 HE1 HIS 61 HE1 HIS 61 46.249 33.161 33.036 451 HE2 HIS 61 HE2 HIS 61 45.637 34.700 34.961 452 H HIS 62 HN HIS 62 52.809 32.334 33.544 453 HA HIS 62 HA HIS 62 55.203 33.526 34.287 454 HB2 HIS 62 HB2 HIS 62 55.177 31.288 33.383 455 HB3 HIS 62 HB1 HIS 62 54.554 31.871 31.839 456 HD2 HIS 62 HD2 HIS 62 57.509 33.816 33.543 457 HE1 HIS 62 HE1 HIS 62 59.040 31.817 30.153 458 HE2 HIS 62 HE2 HIS 62 59.577 33.497 31.980 459 H HIS 63 HN HIS 63 56.143 35.385 33.758 460 HA HIS 63 HA HIS 63 55.111 37.358 32.158 461 HB2 HIS 63 HB2 HIS 63 57.156 37.394 33.756 462 HB3 HIS 63 HB1 HIS 63 58.088 36.966 32.321 463 HD2 HIS 63 HD2 HIS 63 55.186 39.687 32.688 464 HE1 HIS 63 HE1 HIS 63 58.566 41.472 30.897 465 HE2 HIS 63 HE2 HIS 63 56.169 41.867 31.640 466 H HIS 64 HN HIS 64 54.864 37.668 30.038 467 HA HIS 64 HA HIS 64 55.240 35.771 28.088 468 HB2 HIS 64 HB2 HIS 64 54.373 37.339 26.723 469 HB3 HIS 64 HB1 HIS 64 54.299 38.372 28.151 470 HD2 HIS 64 HD2 HIS 64 55.988 38.376 24.735 471 HE1 HIS 64 HE1 HIS 64 58.214 41.063 27.113 472 HE2 HIS 64 HE2 HIS 64 57.816 40.241 24.743 Start of MODEL 40 1 H1 MET 1 HT1 MET 1 21.276 8.384 61.804 2 H2 MET 1 HT2 MET 1 22.772 7.962 61.117 3 H3 MET 1 HT3 MET 1 21.870 9.249 60.473 4 HA MET 1 HA MET 1 22.094 10.191 62.889 5 HB2 MET 1 HB2 MET 1 24.490 8.366 62.532 6 HB3 MET 1 HB1 MET 1 24.350 9.607 63.777 7 HG2 MET 1 HG2 MET 1 22.247 7.468 63.457 8 HG3 MET 1 HG1 MET 1 23.693 7.195 64.430 9 HE1 MET 1 HE1 MET 1 21.257 6.718 65.826 10 HE2 MET 1 HE2 MET 1 21.242 7.731 67.268 11 HE3 MET 1 HE3 MET 1 22.734 6.935 66.774 12 H GLU 2 HN GLU 2 22.274 10.561 59.950 13 HA GLU 2 HA GLU 2 23.076 12.168 58.523 14 HB2 GLU 2 HB2 GLU 2 24.835 13.273 60.692 15 HB3 GLU 2 HB1 GLU 2 23.990 14.125 59.400 16 HG2 GLU 2 HG2 GLU 2 21.867 13.061 60.676 17 HG3 GLU 2 HG1 GLU 2 22.975 13.204 62.039 18 H GLU 3 HN GLU 3 24.567 11.870 56.990 19 HA GLU 3 HA GLU 3 26.612 11.434 55.999 20 HB2 GLU 3 HB2 GLU 3 27.422 12.416 58.358 21 HB3 GLU 3 HB1 GLU 3 27.941 10.743 58.568 22 HG2 GLU 3 HG2 GLU 3 28.656 12.543 56.233 23 HG3 GLU 3 HG1 GLU 3 29.737 12.077 57.546 24 H GLY 4 HN GLY 4 26.198 9.575 54.942 25 HA2 GLY 4 HA2 GLY 4 26.906 7.294 54.642 26 HA3 GLY 4 HA1 GLY 4 26.735 7.053 56.378 27 H GLY 5 HN GLY 5 24.359 8.772 54.466 28 HA2 GLY 5 HA2 GLY 5 22.260 7.011 55.350 29 HA3 GLY 5 HA1 GLY 5 22.079 8.403 54.287 30 H ASP 6 HN ASP 6 21.034 7.661 52.533 31 HA ASP 6 HA ASP 6 22.318 5.516 50.990 32 HB2 ASP 6 HB2 ASP 6 20.073 4.990 52.482 33 HB3 ASP 6 HB1 ASP 6 19.387 5.408 50.913 34 H PHE 7 HN PHE 7 21.838 5.572 48.741 35 HA PHE 7 HA PHE 7 21.222 8.258 47.789 36 HB2 PHE 7 HB2 PHE 7 21.778 6.069 45.865 37 HB3 PHE 7 HB1 PHE 7 22.411 7.714 45.919 38 HD1 PHE 7 HD1 PHE 7 22.681 4.337 47.448 39 HD2 PHE 7 HD2 PHE 7 24.459 8.226 47.040 40 HE1 PHE 7 HE1 PHE 7 24.747 3.507 48.542 41 HE2 PHE 7 HE2 PHE 7 26.525 7.398 48.135 42 HZ PHE 7 HZ PHE 7 26.669 5.038 48.886 43 H ASP 8 HN ASP 8 20.202 7.691 45.272 44 HA ASP 8 HA ASP 8 17.731 6.175 45.672 45 HB2 ASP 8 HB2 ASP 8 17.182 8.445 46.438 46 HB3 ASP 8 HB1 ASP 8 17.753 9.103 44.907 47 H ASN 9 HN ASN 9 19.798 5.407 44.075 48 HA ASN 9 HA ASN 9 18.556 5.466 41.453 49 HB2 ASN 9 HB2 ASN 9 20.003 7.475 41.419 50 HB3 ASN 9 HB1 ASN 9 21.392 6.463 41.811 51 HD21 ASN 9 HD21 ASN 9 22.547 5.767 40.013 52 HD22 ASN 9 HD22 ASN 9 21.907 5.597 38.450 53 H TYR 10 HN TYR 10 18.892 3.397 43.313 54 HA TYR 10 HA TYR 10 21.155 1.800 43.041 55 HB2 TYR 10 HB2 TYR 10 19.009 1.509 44.511 56 HB3 TYR 10 HB1 TYR 10 18.424 0.564 43.141 57 HD1 TYR 10 HD2 TYR 10 19.581 -1.496 42.436 58 HD2 TYR 10 HD1 TYR 10 20.860 0.734 45.877 59 HE1 TYR 10 HE2 TYR 10 20.941 -3.430 43.183 60 HE2 TYR 10 HE1 TYR 10 22.219 -1.200 46.626 61 HH TYR 10 HH TYR 10 22.634 -4.048 44.597 62 H TYR 11 HN TYR 11 22.013 1.627 41.010 63 HA TYR 11 HA TYR 11 20.774 1.370 38.578 64 HB2 TYR 11 HB2 TYR 11 22.792 0.218 37.795 65 HB3 TYR 11 HB1 TYR 11 23.218 1.552 38.866 66 HD1 TYR 11 HD2 TYR 11 22.743 -2.137 38.715 67 HD2 TYR 11 HD1 TYR 11 24.356 1.176 40.923 68 HE1 TYR 11 HE2 TYR 11 23.934 -3.715 40.213 69 HE2 TYR 11 HE1 TYR 11 25.547 -0.402 42.421 70 HH TYR 11 HH TYR 11 25.966 -3.659 41.698 71 H GLY 12 HN GLY 12 20.300 -0.454 37.216 72 HA2 GLY 12 HA2 GLY 12 20.241 -3.132 37.996 73 HA3 GLY 12 HA1 GLY 12 18.702 -2.426 38.479 74 H ALA 13 HN ALA 13 20.879 -2.406 35.645 75 HA ALA 13 HA ALA 13 18.608 -3.136 33.941 76 HB1 ALA 13 HB1 ALA 13 18.486 -0.790 33.693 77 HB2 ALA 13 HB2 ALA 13 19.410 -1.336 32.293 78 HB3 ALA 13 HB3 ALA 13 20.241 -0.617 33.673 79 H ASP 14 HN ASP 14 20.422 -4.950 34.530 80 HA ASP 14 HA ASP 14 22.649 -4.881 32.659 81 HB2 ASP 14 HB2 ASP 14 23.026 -7.227 33.600 82 HB3 ASP 14 HB1 ASP 14 23.177 -5.889 34.737 83 H ASN 15 HN ASN 15 20.607 -4.637 31.056 84 HA ASN 15 HA ASN 15 20.485 -7.203 29.677 85 HB2 ASN 15 HB2 ASN 15 18.449 -6.820 31.317 86 HB3 ASN 15 HB1 ASN 15 17.878 -5.780 30.014 87 HD21 ASN 15 HD21 ASN 15 18.574 -7.107 27.714 88 HD22 ASN 15 HD22 ASN 15 17.883 -8.657 27.676 89 H GLN 16 HN GLN 16 21.903 -4.941 28.969 90 HA GLN 16 HA GLN 16 20.338 -3.416 27.046 91 HB2 GLN 16 HB2 GLN 16 22.550 -2.326 26.569 92 HB3 GLN 16 HB1 GLN 16 22.040 -2.208 28.254 93 HG2 GLN 16 HG2 GLN 16 23.500 -4.655 27.889 94 HG3 GLN 16 HG1 GLN 16 24.452 -3.318 27.247 95 HE21 GLN 16 HE21 GLN 16 22.157 -3.331 30.020 96 HE22 GLN 16 HE22 GLN 16 23.309 -2.832 31.163 97 H SER 17 HN SER 17 19.877 -5.702 26.064 98 HA SER 17 HA SER 17 21.709 -7.177 24.624 99 HB2 SER 17 HB2 SER 17 19.890 -8.200 23.742 100 HB3 SER 17 HB1 SER 17 18.987 -7.188 24.866 101 HG SER 17 HG SER 17 18.704 -7.199 22.323 102 H GLU 18 HN GLU 18 22.953 -6.834 22.892 103 HA GLU 18 HA GLU 18 22.226 -4.958 20.821 104 HB2 GLU 18 HB2 GLU 18 23.896 -4.089 23.006 105 HB3 GLU 18 HB1 GLU 18 24.810 -4.072 21.498 106 HG2 GLU 18 HG2 GLU 18 23.088 -2.727 20.418 107 HG3 GLU 18 HG1 GLU 18 22.072 -2.823 21.856 108 H CYS 19 HN CYS 19 22.675 -6.153 19.087 109 HA CYS 19 HA CYS 19 25.374 -7.242 18.778 110 HB2 CYS 19 HB2 CYS 19 24.197 -9.374 17.823 111 HB3 CYS 19 HB1 CYS 19 24.439 -9.223 19.563 112 HG CYS 19 HG CYS 19 21.820 -8.041 19.196 113 H GLU 20 HN GLU 20 25.963 -7.612 16.597 114 HA GLU 20 HA GLU 20 25.921 -7.291 14.318 115 HB2 GLU 20 HB2 GLU 20 23.460 -8.257 14.792 116 HB3 GLU 20 HB1 GLU 20 23.024 -6.636 14.249 117 HG2 GLU 20 HG2 GLU 20 24.764 -8.614 12.749 118 HG3 GLU 20 HG1 GLU 20 23.115 -8.153 12.330 119 H TYR 21 HN TYR 21 23.394 -5.126 15.622 120 HA TYR 21 HA TYR 21 24.210 -2.919 14.011 121 HB2 TYR 21 HB2 TYR 21 21.922 -3.433 15.218 122 HB3 TYR 21 HB1 TYR 21 22.664 -2.538 16.544 123 HD1 TYR 21 HD2 TYR 21 22.007 -2.328 12.863 124 HD2 TYR 21 HD1 TYR 21 22.644 -0.191 16.535 125 HE1 TYR 21 HE2 TYR 21 21.497 -0.193 11.709 126 HE2 TYR 21 HE1 TYR 21 22.135 1.944 15.380 127 HH TYR 21 HH TYR 21 21.016 1.996 12.024 128 H THR 22 HN THR 22 25.761 -4.335 16.527 129 HA THR 22 HA THR 22 27.261 -1.881 17.105 130 HB THR 22 HB THR 22 26.780 -3.597 19.463 131 HG1 THR 22 HG1 THR 22 24.706 -3.482 19.282 132 HG21 THR 22 HG21 THR 22 28.085 -1.397 19.309 133 HG22 THR 22 HG22 THR 22 26.891 -1.511 20.603 134 HG23 THR 22 HG23 THR 22 26.519 -0.606 19.135 135 H ASP 23 HN ASP 23 27.506 -4.644 15.737 136 HA ASP 23 HA ASP 23 30.166 -5.231 16.851 137 HB2 ASP 23 HB2 ASP 23 28.467 -6.871 17.731 138 HB3 ASP 23 HB1 ASP 23 28.198 -7.388 16.068 139 H TRP 24 HN TRP 24 28.488 -4.223 14.288 140 HA TRP 24 HA TRP 24 29.329 -5.823 12.132 141 HB2 TRP 24 HB2 TRP 24 29.073 -3.545 10.865 142 HB3 TRP 24 HB1 TRP 24 27.657 -4.308 11.576 143 HD1 TRP 24 HD1 TRP 24 30.119 -2.633 13.919 144 HE1 TRP 24 HE1 TRP 24 29.045 -0.505 14.890 145 HE3 TRP 24 HE3 TRP 24 25.919 -2.368 11.025 146 HZ2 TRP 24 HZ2 TRP 24 26.712 1.102 14.493 147 HZ3 TRP 24 HZ3 TRP 24 24.289 -0.528 11.344 148 HH2 TRP 24 HH2 TRP 24 24.679 1.205 13.073 149 H LYS 25 HN LYS 25 30.676 -4.193 10.377 150 HA LYS 25 HA LYS 25 33.263 -4.717 10.479 151 HB2 LYS 25 HB2 LYS 25 33.721 -2.504 9.363 152 HB3 LYS 25 HB1 LYS 25 32.403 -3.434 8.649 153 HG2 LYS 25 HG2 LYS 25 31.433 -1.744 10.805 154 HG3 LYS 25 HG1 LYS 25 32.270 -0.789 9.581 155 HD2 LYS 25 HD2 LYS 25 30.850 -1.626 7.834 156 HD3 LYS 25 HD1 LYS 25 30.153 -2.844 8.904 157 HE2 LYS 25 HE2 LYS 25 29.070 -1.146 10.243 158 HE3 LYS 25 HE1 LYS 25 29.910 0.139 9.376 159 HZ1 LYS 25 HZ1 LYS 25 28.762 -1.096 7.346 160 HZ2 LYS 25 HZ2 LYS 25 27.993 0.147 8.212 161 HZ3 LYS 25 HZ3 LYS 25 27.632 -1.478 8.552 162 H SER 26 HN SER 26 33.972 -4.908 12.637 163 HA SER 26 HA SER 26 34.787 -2.339 13.863 164 HB2 SER 26 HB2 SER 26 33.227 -3.094 15.411 165 HB3 SER 26 HB1 SER 26 33.588 -4.790 15.103 166 HG SER 26 HG SER 26 34.707 -4.511 16.890 167 H SER 27 HN SER 27 35.645 -5.512 12.816 168 HA SER 27 HA SER 27 37.664 -6.593 12.654 169 HB2 SER 27 HB2 SER 27 38.982 -3.984 13.384 170 HB3 SER 27 HB1 SER 27 39.611 -5.281 12.373 171 HG SER 27 HG SER 27 38.014 -3.181 11.727 172 H GLY 28 HN GLY 28 36.245 -6.355 15.232 173 HA2 GLY 28 HA2 GLY 28 36.626 -7.301 17.318 174 HA3 GLY 28 HA1 GLY 28 38.335 -7.435 16.910 175 H ALA 29 HN ALA 29 37.453 -4.346 16.194 176 HA ALA 29 HA ALA 29 38.013 -2.324 17.141 177 HB1 ALA 29 HB1 ALA 29 36.500 -3.777 19.281 178 HB2 ALA 29 HB2 ALA 29 36.027 -2.358 18.345 179 HB3 ALA 29 HB3 ALA 29 37.217 -2.207 19.639 180 H LEU 30 HN LEU 30 40.189 -2.112 17.181 181 HA LEU 30 HA LEU 30 41.713 -3.433 19.321 182 HB2 LEU 30 HB2 LEU 30 42.620 -1.952 16.841 183 HB3 LEU 30 HB1 LEU 30 43.697 -2.704 18.018 184 HG LEU 30 HG LEU 30 41.725 -4.635 17.307 185 HD11 LEU 30 HD11 LEU 30 43.055 -3.272 14.945 186 HD12 LEU 30 HD12 LEU 30 41.323 -3.353 15.265 187 HD13 LEU 30 HD13 LEU 30 42.214 -4.821 14.868 188 HD21 LEU 30 HD21 LEU 30 44.064 -5.035 18.060 189 HD22 LEU 30 HD22 LEU 30 44.647 -4.403 16.520 190 HD23 LEU 30 HD23 LEU 30 43.698 -5.889 16.562 191 H ILE 31 HN ILE 31 41.888 -0.246 17.721 192 HA ILE 31 HA ILE 31 42.858 0.954 20.169 193 HB ILE 31 HB ILE 31 42.829 1.619 17.340 194 HG12 ILE 31 HG12 ILE 31 44.797 1.262 18.887 195 HG13 ILE 31 HG11 ILE 31 44.879 2.719 17.904 196 HG21 ILE 31 HG21 ILE 31 42.757 4.100 17.671 197 HG22 ILE 31 HG22 ILE 31 42.122 3.840 19.291 198 HG23 ILE 31 HG23 ILE 31 41.191 3.326 17.882 199 HD11 ILE 31 HD11 ILE 31 44.818 4.076 19.717 200 HD12 ILE 31 HD12 ILE 31 45.211 2.630 20.645 201 HD13 ILE 31 HD13 ILE 31 43.533 3.144 20.485 202 HA PRO 32 HA PRO 32 38.518 3.170 19.584 203 HB2 PRO 32 HB2 PRO 32 36.958 0.818 18.667 204 HB3 PRO 32 HB1 PRO 32 36.871 2.507 18.136 205 HG2 PRO 32 HG2 PRO 32 37.955 0.603 16.609 206 HG3 PRO 32 HG1 PRO 32 38.577 2.263 16.629 207 HD2 PRO 32 HD2 PRO 32 39.713 -0.191 17.915 208 HD3 PRO 32 HD1 PRO 32 40.555 1.185 17.171 209 H ALA 33 HN ALA 33 38.931 -0.224 20.445 210 HA ALA 33 HA ALA 33 36.926 -0.534 22.349 211 HB1 ALA 33 HB1 ALA 33 37.890 -2.550 22.477 212 HB2 ALA 33 HB2 ALA 33 39.284 -1.841 23.291 213 HB3 ALA 33 HB3 ALA 33 39.254 -1.953 21.531 214 H ILE 34 HN ILE 34 40.168 0.858 22.693 215 HA ILE 34 HA ILE 34 39.751 1.403 25.519 216 HB ILE 34 HB ILE 34 42.016 2.090 23.635 217 HG12 ILE 34 HG12 ILE 34 42.225 0.246 25.981 218 HG13 ILE 34 HG11 ILE 34 41.409 -0.351 24.535 219 HG21 ILE 34 HG21 ILE 34 41.551 2.651 26.562 220 HG22 ILE 34 HG22 ILE 34 42.106 3.757 25.306 221 HG23 ILE 34 HG23 ILE 34 43.183 2.499 25.913 222 HD11 ILE 34 HD11 ILE 34 43.903 -0.799 24.602 223 HD12 ILE 34 HD12 ILE 34 44.146 0.944 24.480 224 HD13 ILE 34 HD13 ILE 34 43.347 0.071 23.172 225 H TYR 35 HN TYR 35 39.866 3.169 22.463 226 HA TYR 35 HA TYR 35 39.791 5.786 23.474 227 HB2 TYR 35 HB2 TYR 35 39.764 4.608 20.959 228 HB3 TYR 35 HB1 TYR 35 38.214 5.443 21.050 229 HD1 TYR 35 HD1 TYR 35 41.888 5.888 21.436 230 HD2 TYR 35 HD2 TYR 35 38.080 7.822 20.982 231 HE1 TYR 35 HE1 TYR 35 43.034 8.057 21.072 232 HE2 TYR 35 HE2 TYR 35 39.226 9.991 20.617 233 HH TYR 35 HH TYR 35 42.121 10.408 19.701 234 H MET 36 HN MET 36 37.260 3.403 22.992 235 HA MET 36 HA MET 36 35.110 5.264 23.504 236 HB2 MET 36 HB2 MET 36 35.228 2.255 23.256 237 HB3 MET 36 HB1 MET 36 33.737 3.138 23.588 238 HG2 MET 36 HG2 MET 36 35.206 4.320 21.372 239 HG3 MET 36 HG1 MET 36 34.823 2.626 21.068 240 HE1 MET 36 HE1 MET 36 33.518 6.173 21.873 241 HE2 MET 36 HE2 MET 36 32.194 6.183 20.713 242 HE3 MET 36 HE3 MET 36 33.829 5.820 20.168 243 H LEU 37 HN LEU 37 36.608 2.561 25.277 244 HA LEU 37 HA LEU 37 35.150 2.438 27.554 245 HB2 LEU 37 HB2 LEU 37 37.857 1.831 26.828 246 HB3 LEU 37 HB1 LEU 37 37.837 2.526 28.450 247 HG LEU 37 HG LEU 37 36.035 0.264 27.538 248 HD11 LEU 37 HD11 LEU 37 38.046 -0.853 27.654 249 HD12 LEU 37 HD12 LEU 37 37.632 -0.872 29.369 250 HD13 LEU 37 HD13 LEU 37 38.761 0.332 28.747 251 HD21 LEU 37 HD21 LEU 37 34.950 0.599 29.485 252 HD22 LEU 37 HD22 LEU 37 35.922 2.046 29.746 253 HD23 LEU 37 HD23 LEU 37 36.466 0.492 30.378 254 H VAL 38 HN VAL 38 36.998 5.152 26.477 255 HA VAL 38 HA VAL 38 36.743 6.472 29.098 256 HB VAL 38 HB VAL 38 38.204 7.503 26.663 257 HG11 VAL 38 HG11 VAL 38 39.267 8.979 28.201 258 HG12 VAL 38 HG12 VAL 38 38.693 8.062 29.594 259 HG13 VAL 38 HG13 VAL 38 37.558 9.016 28.638 260 HG21 VAL 38 HG21 VAL 38 39.539 5.677 26.995 261 HG22 VAL 38 HG22 VAL 38 38.913 5.392 28.618 262 HG23 VAL 38 HG23 VAL 38 40.152 6.619 28.354 263 H PHE 39 HN PHE 39 35.650 6.591 25.778 264 HA PHE 39 HA PHE 39 34.371 9.172 26.065 265 HB2 PHE 39 HB2 PHE 39 35.245 7.734 23.909 266 HB3 PHE 39 HB1 PHE 39 33.507 7.438 23.852 267 HD1 PHE 39 HD2 PHE 39 36.145 10.013 23.716 268 HD2 PHE 39 HD1 PHE 39 31.924 9.250 23.482 269 HE1 PHE 39 HE2 PHE 39 35.784 12.288 22.796 270 HE2 PHE 39 HE1 PHE 39 31.563 11.524 22.563 271 HZ PHE 39 HZ PHE 39 33.493 13.043 22.220 272 H LEU 40 HN LEU 40 33.623 7.018 27.940 273 HA LEU 40 HA LEU 40 30.795 7.411 27.874 274 HB2 LEU 40 HB2 LEU 40 30.147 5.032 27.653 275 HB3 LEU 40 HB1 LEU 40 30.882 5.661 26.178 276 HG LEU 40 HG LEU 40 33.073 4.735 27.579 277 HD11 LEU 40 HD11 LEU 40 30.779 2.788 27.968 278 HD12 LEU 40 HD12 LEU 40 31.577 3.690 29.255 279 HD13 LEU 40 HD13 LEU 40 32.473 2.474 28.345 280 HD21 LEU 40 HD21 LEU 40 31.340 3.242 25.585 281 HD22 LEU 40 HD22 LEU 40 33.030 2.882 25.939 282 HD23 LEU 40 HD23 LEU 40 32.594 4.414 25.182 283 H LEU 41 HN LEU 41 33.632 6.797 29.412 284 HA LEU 41 HA LEU 41 32.845 5.164 31.591 285 HB2 LEU 41 HB2 LEU 41 34.921 5.650 32.507 286 HB3 LEU 41 HB1 LEU 41 35.216 5.977 30.807 287 HG LEU 41 HG LEU 41 34.446 8.416 31.397 288 HD11 LEU 41 HD11 LEU 41 35.742 8.254 33.976 289 HD12 LEU 41 HD12 LEU 41 34.303 7.239 33.978 290 HD13 LEU 41 HD13 LEU 41 34.175 8.947 33.571 291 HD21 LEU 41 HD21 LEU 41 37.054 7.035 31.811 292 HD22 LEU 41 HD22 LEU 41 36.927 8.705 32.361 293 HD23 LEU 41 HD23 LEU 41 36.622 8.308 30.670 294 H GLY 42 HN GLY 42 32.371 8.525 30.841 295 HA2 GLY 42 HA2 GLY 42 30.284 9.005 32.553 296 HA3 GLY 42 HA1 GLY 42 31.717 9.363 33.513 297 H THR 43 HN THR 43 31.404 9.850 30.035 298 HA THR 43 HA THR 43 31.687 12.763 30.477 299 HB THR 43 HB THR 43 33.500 12.569 29.167 300 HG1 THR 43 HG1 THR 43 32.372 13.251 27.469 301 HG21 THR 43 HG21 THR 43 34.071 10.425 28.031 302 HG22 THR 43 HG22 THR 43 32.492 9.792 28.492 303 HG23 THR 43 HG23 THR 43 33.674 10.204 29.734 304 H THR 44 HN THR 44 30.417 10.418 28.101 305 HA THR 44 HA THR 44 28.640 12.345 26.927 306 HB THR 44 HB THR 44 28.761 9.332 26.663 307 HG1 THR 44 HG1 THR 44 29.537 11.266 24.773 308 HG21 THR 44 HG21 THR 44 26.877 11.346 25.677 309 HG22 THR 44 HG22 THR 44 26.736 9.588 25.692 310 HG23 THR 44 HG23 THR 44 27.602 10.392 24.383 311 H GLY 45 HN GLY 45 27.139 9.338 27.464 312 HA2 GLY 45 HA2 GLY 45 25.291 10.572 29.423 313 HA3 GLY 45 HA1 GLY 45 24.794 9.426 28.183 314 H ASN 46 HN ASN 46 25.543 7.213 28.357 315 HA ASN 46 HA ASN 46 25.856 5.257 29.516 316 HB2 ASN 46 HB2 ASN 46 27.793 5.153 30.689 317 HB3 ASN 46 HB1 ASN 46 28.010 6.803 30.105 318 HD21 ASN 46 HD21 ASN 46 28.229 8.398 31.691 319 HD22 ASN 46 HD22 ASN 46 27.842 8.186 33.331 320 H GLY 47 HN GLY 47 24.464 4.205 30.779 321 HA2 GLY 47 HA2 GLY 47 23.044 3.724 32.540 322 HA3 GLY 47 HA1 GLY 47 23.686 5.134 33.382 323 H LEU 48 HN LEU 48 23.087 6.947 31.156 324 HA LEU 48 HA LEU 48 20.212 7.269 31.682 325 HB2 LEU 48 HB2 LEU 48 22.411 9.068 31.595 326 HB3 LEU 48 HB1 LEU 48 21.336 9.483 30.259 327 HG LEU 48 HG LEU 48 20.452 9.097 33.135 328 HD11 LEU 48 HD11 LEU 48 20.180 11.528 33.172 329 HD12 LEU 48 HD12 LEU 48 20.751 11.639 31.507 330 HD13 LEU 48 HD13 LEU 48 21.853 11.126 32.784 331 HD21 LEU 48 HD21 LEU 48 19.040 9.148 30.630 332 HD22 LEU 48 HD22 LEU 48 18.615 10.590 31.553 333 HD23 LEU 48 HD23 LEU 48 18.379 8.990 32.257 334 H VAL 49 HN VAL 49 22.566 6.925 29.094 335 HA VAL 49 HA VAL 49 20.847 7.510 26.922 336 HB VAL 49 HB VAL 49 23.399 5.936 27.197 337 HG11 VAL 49 HG11 VAL 49 21.513 6.118 24.864 338 HG12 VAL 49 HG12 VAL 49 22.454 4.738 25.429 339 HG13 VAL 49 HG13 VAL 49 23.251 6.058 24.572 340 HG21 VAL 49 HG21 VAL 49 23.073 8.211 25.324 341 HG22 VAL 49 HG22 VAL 49 24.391 7.852 26.440 342 HG23 VAL 49 HG23 VAL 49 22.915 8.613 27.034 343 H LEU 50 HN LEU 50 21.821 4.401 28.374 344 HA LEU 50 HA LEU 50 20.217 2.763 26.734 345 HB2 LEU 50 HB2 LEU 50 20.896 2.148 29.609 346 HB3 LEU 50 HB1 LEU 50 20.675 1.018 28.273 347 HG LEU 50 HG LEU 50 22.686 2.692 27.352 348 HD11 LEU 50 HD11 LEU 50 22.803 3.620 29.698 349 HD12 LEU 50 HD12 LEU 50 24.307 2.893 29.132 350 HD13 LEU 50 HD13 LEU 50 23.266 2.009 30.247 351 HD21 LEU 50 HD21 LEU 50 22.642 0.278 27.061 352 HD22 LEU 50 HD22 LEU 50 22.832 0.028 28.797 353 HD23 LEU 50 HD23 LEU 50 24.155 0.714 27.854 354 H TRP 51 HN TRP 51 19.575 4.360 29.827 355 HA TRP 51 HA TRP 51 17.219 3.293 30.648 356 HB2 TRP 51 HB2 TRP 51 17.523 5.020 32.050 357 HB3 TRP 51 HB1 TRP 51 18.499 5.888 30.867 358 HD1 TRP 51 HD1 TRP 51 17.130 7.356 29.016 359 HE1 TRP 51 HE1 TRP 51 14.878 8.591 29.231 360 HE3 TRP 51 HE3 TRP 51 15.238 5.029 33.150 361 HZ2 TRP 51 HZ2 TRP 51 12.578 8.594 30.932 362 HZ3 TRP 51 HZ3 TRP 51 13.017 5.668 34.046 363 HH2 TRP 51 HH2 TRP 51 11.687 7.446 32.943 364 H THR 52 HN THR 52 17.646 5.574 27.969 365 HA THR 52 HA THR 52 14.953 6.042 27.369 366 HB THR 52 HB THR 52 17.421 5.982 25.632 367 HG1 THR 52 HG1 THR 52 16.251 8.324 25.776 368 HG21 THR 52 HG21 THR 52 14.544 6.342 24.921 369 HG22 THR 52 HG22 THR 52 15.854 5.637 23.975 370 HG23 THR 52 HG23 THR 52 15.726 7.388 24.135 371 H VAL 53 HN VAL 53 17.163 3.568 26.069 372 HA VAL 53 HA VAL 53 15.135 2.280 24.509 373 HB VAL 53 HB VAL 53 17.673 0.956 25.438 374 HG11 VAL 53 HG11 VAL 53 15.659 0.099 23.819 375 HG12 VAL 53 HG12 VAL 53 17.333 -0.432 23.657 376 HG13 VAL 53 HG13 VAL 53 16.717 0.866 22.635 377 HG21 VAL 53 HG21 VAL 53 18.519 3.055 24.753 378 HG22 VAL 53 HG22 VAL 53 17.312 3.225 23.480 379 HG23 VAL 53 HG23 VAL 53 18.630 2.069 23.296 380 H PHE 54 HN PHE 54 16.813 1.402 27.533 381 HA PHE 54 HA PHE 54 15.635 -0.966 28.171 382 HB2 PHE 54 HB2 PHE 54 17.304 0.344 29.557 383 HB3 PHE 54 HB1 PHE 54 15.936 1.262 30.189 384 HD1 PHE 54 HD1 PHE 54 14.030 -0.006 31.315 385 HD2 PHE 54 HD2 PHE 54 17.820 -1.807 30.404 386 HE1 PHE 54 HE1 PHE 54 13.554 -1.824 32.933 387 HE2 PHE 54 HE2 PHE 54 17.346 -3.625 32.021 388 HZ PHE 54 HZ PHE 54 15.212 -3.633 33.286 389 H ARG 55 HN ARG 55 14.148 2.206 28.226 390 HA ARG 55 HA ARG 55 11.778 1.364 29.627 391 HB2 ARG 55 HB2 ARG 55 12.454 3.839 28.026 392 HB3 ARG 55 HB1 ARG 55 10.900 3.597 28.827 393 HG2 ARG 55 HG2 ARG 55 13.124 3.012 30.614 394 HG3 ARG 55 HG1 ARG 55 13.208 4.659 29.990 395 HD2 ARG 55 HD2 ARG 55 11.841 4.362 32.118 396 HD3 ARG 55 HD1 ARG 55 11.021 5.179 30.791 397 HE ARG 55 HE ARG 55 10.585 2.321 30.832 398 HH11 ARG 55 HH21 ARG 55 9.608 5.416 32.031 399 HH12 ARG 55 HH22 ARG 55 7.987 4.919 32.389 400 HH21 ARG 55 HH11 ARG 55 8.462 1.662 31.300 401 HH22 ARG 55 HH12 ARG 55 7.339 2.794 31.975 402 H LYS 56 HN LYS 56 12.783 1.652 26.273 403 HA LYS 56 HA LYS 56 10.208 1.389 25.104 404 HB2 LYS 56 HB2 LYS 56 12.970 0.782 24.029 405 HB3 LYS 56 HB1 LYS 56 11.501 0.740 23.055 406 HG2 LYS 56 HG2 LYS 56 12.008 3.187 24.690 407 HG3 LYS 56 HG1 LYS 56 12.987 2.952 23.241 408 HD2 LYS 56 HD2 LYS 56 10.948 2.700 21.888 409 HD3 LYS 56 HD1 LYS 56 9.955 2.903 23.332 410 HE2 LYS 56 HE2 LYS 56 11.986 5.004 22.659 411 HE3 LYS 56 HE1 LYS 56 10.461 4.974 21.775 412 HZ1 LYS 56 HZ1 LYS 56 10.366 4.747 24.690 413 HZ2 LYS 56 HZ2 LYS 56 9.264 5.477 23.622 414 HZ3 LYS 56 HZ3 LYS 56 10.711 6.270 24.028 415 H LYS 57 HN LYS 57 12.064 -0.799 26.859 416 HA LYS 57 HA LYS 57 11.023 -3.157 25.455 417 HB2 LYS 57 HB2 LYS 57 12.595 -3.438 27.964 418 HB3 LYS 57 HB1 LYS 57 12.671 -4.378 26.475 419 HG2 LYS 57 HG2 LYS 57 13.773 -1.582 26.886 420 HG3 LYS 57 HG1 LYS 57 14.716 -3.061 26.720 421 HD2 LYS 57 HD2 LYS 57 13.148 -3.173 24.478 422 HD3 LYS 57 HD1 LYS 57 13.396 -1.435 24.643 423 HE2 LYS 57 HE2 LYS 57 15.878 -1.953 24.937 424 HE3 LYS 57 HE1 LYS 57 15.502 -3.592 24.409 425 HZ1 LYS 57 HZ1 LYS 57 14.454 -1.437 22.764 426 HZ2 LYS 57 HZ2 LYS 57 15.124 -2.930 22.305 427 HZ3 LYS 57 HZ3 LYS 57 16.138 -1.636 22.738 428 H GLY 58 HN GLY 58 9.094 -1.504 26.667 429 HA2 GLY 58 HA2 GLY 58 8.375 -2.446 29.270 430 HA3 GLY 58 HA1 GLY 58 7.344 -1.529 28.174 431 H HIS 59 HN HIS 59 8.783 -4.789 28.441 432 HA HIS 59 HA HIS 59 6.145 -5.959 27.939 433 HB2 HIS 59 HB2 HIS 59 8.587 -6.581 26.261 434 HB3 HIS 59 HB1 HIS 59 7.067 -7.474 26.209 435 HD2 HIS 59 HD2 HIS 59 8.364 -3.838 25.301 436 HE1 HIS 59 HE1 HIS 59 4.657 -4.481 23.385 437 HE2 HIS 59 HE2 HIS 59 6.609 -2.874 23.625 438 H HIS 60 HN HIS 60 9.557 -7.014 28.078 439 HA HIS 60 HA HIS 60 10.492 -8.819 29.188 440 HB2 HIS 60 HB2 HIS 60 10.590 -7.099 30.896 441 HB3 HIS 60 HB1 HIS 60 8.931 -7.441 31.384 442 HD2 HIS 60 HD2 HIS 60 11.004 -10.631 30.710 443 HE1 HIS 60 HE1 HIS 60 10.943 -10.080 34.895 444 HE2 HIS 60 HE2 HIS 60 11.553 -11.693 33.032 445 H HIS 61 HN HIS 61 7.886 -8.915 31.460 446 HA HIS 61 HA HIS 61 6.652 -10.755 32.144 447 HB2 HIS 61 HB2 HIS 61 5.791 -9.807 29.490 448 HB3 HIS 61 HB1 HIS 61 5.168 -11.390 29.959 449 HD2 HIS 61 HD2 HIS 61 5.570 -8.093 32.180 450 HE1 HIS 61 HE1 HIS 61 1.642 -9.589 32.583 451 HE2 HIS 61 HE2 HIS 61 3.255 -7.783 33.349 452 H HIS 62 HN HIS 62 6.730 -11.886 28.824 453 HA HIS 62 HA HIS 62 8.743 -13.885 29.281 454 HB2 HIS 62 HB2 HIS 62 5.894 -14.503 29.729 455 HB3 HIS 62 HB1 HIS 62 6.742 -15.630 28.669 456 HD2 HIS 62 HD2 HIS 62 6.772 -14.524 32.430 457 HE1 HIS 62 HE1 HIS 62 9.546 -17.674 31.977 458 HE2 HIS 62 HE2 HIS 62 8.357 -16.193 33.663 459 H HIS 63 HN HIS 63 8.788 -15.464 27.386 460 HA HIS 63 HA HIS 63 9.019 -14.076 24.983 461 HB2 HIS 63 HB2 HIS 63 8.511 -17.043 25.305 462 HB3 HIS 63 HB1 HIS 63 9.262 -16.247 23.921 463 HD2 HIS 63 HD2 HIS 63 10.686 -18.304 26.488 464 HE1 HIS 63 HE1 HIS 63 13.291 -14.982 26.576 465 HE2 HIS 63 HE2 HIS 63 13.002 -17.401 27.291 466 H HIS 64 HN HIS 64 7.206 -12.885 24.448 467 HA HIS 64 HA HIS 64 4.550 -13.786 24.468 468 HB2 HIS 64 HB2 HIS 64 4.026 -11.848 23.247 469 HB3 HIS 64 HB1 HIS 64 5.484 -11.396 24.132 470 HD2 HIS 64 HD2 HIS 64 7.736 -10.889 22.519 471 HE1 HIS 64 HE1 HIS 64 5.898 -11.756 18.818 472 HE2 HIS 64 HE2 HIS 64 7.987 -10.822 19.920
Contact the webmaster for help, if required. Thursday, May 16, 2024 10:46:49 AM GMT (wattos1)